5269.2801  0.0015 -8.1704 3    0.4871 12  595161404 1 1 0 3     1 0 1 3      C-13-H3C(O)CH3
    5284.0719  0.0009 -7.8667 3    0.4115 24  595161404 1 1 0 1     1 0 1 1      C-13-H3C(O)CH3
    5286.7281  0.0012 -7.8662 3    0.4109 24  595161404 1 1 0 2     1 0 1 2      C-13-H3C(O)CH3
    5288.0156  0.0006 -8.1694 3    0.4873 12  595161404 1 1 0 4     1 0 1 4      C-13-H3C(O)CH3
    5292.0632  0.0003 -7.8640 3    0.3354 24  595161404 1 1 0 0     1 0 1 0      C-13-H3C(O)CH3
    7607.7049  0.0018 -7.7361 3    1.6512 20  595161404 2 2 0 3     2 1 1 3      C-13-H3C(O)CH3
    7663.8029  0.0007 -7.4283 3    1.5012 40  595161404 2 2 0 0     2 1 1 0      C-13-H3C(O)CH3
    7664.4013  0.0013 -7.4350 3    1.5766 40  595161404 2 2 0 1     2 1 1 1      C-13-H3C(O)CH3
    7669.5466  0.0016 -7.4337 3    1.5759 40  595161404 2 2 0 2     2 1 1 2      C-13-H3C(O)CH3
    7726.5569  0.0011 -7.7447 3    1.6517 20  595161404 2 2 0 4     2 1 1 4      C-13-H3C(O)CH3
   10186.2331  0.0025 -8.1973 3    3.4121 28  595161404 3 3 1 4     3 2 1 4      C-13-H3C(O)CH3
   10547.7220  0.0020 -7.3168 3    3.0592 28 -595161404 3 2 1 3     3 1 2 3      C-13-H3C(O)CH3
   10566.9120  0.0009 -7.3161 3    3.0596 28 -595161404 3 2 1 4     3 1 2 4      C-13-H3C(O)CH3
   10568.4764  0.0024 -8.1644 3    3.3379 56  595161404 3 3 1 1     3 2 1 1      C-13-H3C(O)CH3
   10568.5170  0.0013 -7.0134 3    2.9854 56 -595161404 3 2 1 1     3 1 2 1      C-13-H3C(O)CH3
   10569.3910  0.0017 -7.0131 3    2.9846 56 -595161404 3 2 1 2     3 1 2 2      C-13-H3C(O)CH3
   10580.5660  0.0005 -7.0111 3    2.9108 56 -595161404 3 2 1 0     3 1 2 0      C-13-H3C(O)CH3
   10622.6921  0.0029 -8.2182 3    3.3372 56  595161404 3 3 1 2     3 2 1 2      C-13-H3C(O)CH3
   10929.9900  0.0004 -7.5777 3    1.2866 20 -595161404 2 1 1 3     2 0 2 3      C-13-H3C(O)CH3
   10941.5320  0.0005 -7.5773 3    1.2867 20 -595161404 2 1 1 4     2 0 2 4      C-13-H3C(O)CH3
   10947.2990  0.0005 -7.2743 3    1.2107 40 -595161404 2 1 1 2     2 0 2 2      C-13-H3C(O)CH3
   10950.7430  0.0005 -7.2744 3    1.2113 40 -595161404 2 1 1 1     2 0 2 1      C-13-H3C(O)CH3
   10962.3470  0.0005 -7.2722 3    1.1356 40 -595161404 2 1 1 0     2 0 2 0      C-13-H3C(O)CH3
   11097.2626  0.0034 -8.9183 3   24.5550 76  595161404 9 6 4 4     9 5 4 4      C-13-H3C(O)CH3
   11493.0864  0.0025 -8.2793 3    8.3098 44  595161404 5 4 2 4     5 3 2 4      C-13-H3C(O)CH3
   11691.9186  0.0029 -8.5601 3   15.3584 60  595161404 7 5 3 4     7 4 3 4      C-13-H3C(O)CH3
   11727.2730  0.0032 -7.1015 3    5.3959 36  595161404 4 3 1 3     4 2 2 3      C-13-H3C(O)CH3
   11773.9579  0.0021 -6.7981 3    5.3239 72  595161404 4 3 1 1     4 2 2 1      C-13-H3C(O)CH3
   11783.6023  0.0027 -6.7973 3    5.3228 72  595161404 4 3 1 2     4 2 2 2      C-13-H3C(O)CH3
   11791.2910  0.0010 -7.3647 3    3.4110 28 -595161404 3 3 0 3     3 2 1 3      C-13-H3C(O)CH3
   11794.3461  0.0008 -6.7946 3    5.2506 72  595161404 4 3 1 0     4 2 2 0      C-13-H3C(O)CH3
   11797.6488  0.0014 -7.1019 3    5.3967 36  595161404 4 3 1 4     4 2 2 4      C-13-H3C(O)CH3
   11800.4472  0.0024 -8.4299 3    8.2387 88  595161404 5 4 2 1     5 3 2 1      C-13-H3C(O)CH3
   11861.8201  0.0027 -8.5054 3    8.2374 88  595161404 5 4 2 2     5 3 2 2      C-13-H3C(O)CH3
   11916.2350  0.0014 -7.0554 3    3.2637 56 -595161404 3 3 0 0     3 2 1 0      C-13-H3C(O)CH3
   11941.7256  0.0028 -8.7650 3   15.2917120  595161404 7 5 3 1     7 4 3 1      C-13-H3C(O)CH3
   11989.6070  0.0020 -7.0943 3    3.3379 56 -595161404 3 3 0 1     3 2 1 1      C-13-H3C(O)CH3
   11989.9130  0.0020 -7.0890 3    3.3372 56 -595161404 3 3 0 2     3 2 1 2      C-13-H3C(O)CH3
   12015.5959  0.0032 -8.8501 3   15.2897120  595161404 7 5 3 2     7 4 3 2      C-13-H3C(O)CH3
   12218.5980  0.0022 -7.4288 3    3.4121 28 -595161404 3 3 0 4     3 2 1 4      C-13-H3C(O)CH3
   14857.7190  0.0002 -7.4475 3    0.0508 12 -595161404 1 1 1 4     0 0 0 4      C-13-H3C(O)CH3
   14866.9451  0.0014 -8.8364 3    1.8322 56  595161404 3 1 3 1     2 2 0 1      C-13-H3C(O)CH3
   14867.4375  0.0016 -8.8332 3    1.8317 56  595161404 3 1 3 2     2 2 0 2      C-13-H3C(O)CH3
   14869.2020  0.0010 -8.8242 3    1.7569 56  595161404 3 1 3 0     2 2 0 0      C-13-H3C(O)CH3
   14884.2140  0.0002 -7.4427 3    0.0507 12 -595161404 1 1 1 3     0 0 0 3      C-13-H3C(O)CH3
   14890.8340  0.0003 -7.1420 3   -0.0251 24 -595161404 1 1 1 1     0 0 0 1      C-13-H3C(O)CH3
   14895.0920  0.0003 -7.1416 3   -0.0256 24 -595161404 1 1 1 2     0 0 0 2      C-13-H3C(O)CH3
   14914.8870  0.0003 -7.1396 3   -0.1013 24 -595161404 1 1 1 0     0 0 0 0      C-13-H3C(O)CH3
   14996.3888  0.0021 -6.8680 3    8.3086 44  595161404 5 4 1 3     5 3 2 3      C-13-H3C(O)CH3
   15130.7834  0.0019 -6.5691 3    8.2387 88  595161404 5 4 1 1     5 3 2 1      C-13-H3C(O)CH3
   15143.6035  0.0017 -6.5595 3    8.1671 88  595161404 5 4 1 0     5 3 2 0      C-13-H3C(O)CH3
   15148.1122  0.0022 -6.5671 3    8.2374 88  595161404 5 4 1 2     5 3 2 2      C-13-H3C(O)CH3
   15253.0167  0.0020 -6.8827 3    8.3098 44  595161404 5 4 1 4     5 3 2 4      C-13-H3C(O)CH3
   15658.1230  0.0008 -7.4959 3    1.3045 20 -595161404 2 2 1 4     2 1 2 4      C-13-H3C(O)CH3
   15729.3427  0.0056 -8.7392 3   57.5106116  59516140414 9 6 4    14 8 6 4      C-13-H3C(O)CH3
   15786.1360  0.0007 -7.4736 3    1.3046 20 -595161404 2 2 1 3     2 1 2 3      C-13-H3C(O)CH3
   15789.9080  0.0009 -7.1769 3    1.2294 40 -595161404 2 2 1 1     2 1 2 1      C-13-H3C(O)CH3
   15805.3680  0.0011 -7.1753 3    1.2289 40 -595161404 2 2 1 2     2 1 2 2      C-13-H3C(O)CH3
   15875.7770  0.0009 -7.1672 3    1.1539 40 -595161404 2 2 1 0     2 1 2 0      C-13-H3C(O)CH3
   16119.6841  0.0040 -6.6866 3   11.2831 52  595161404 6 4 2 3     6 3 3 3      C-13-H3C(O)CH3
   16156.6800  0.0026 -6.3833 3   11.2150104  595161404 6 4 2 1     6 3 3 1      C-13-H3C(O)CH3
   16162.9101  0.0016 -6.6861 3   11.2840 52  595161404 6 4 2 4     6 3 3 4      C-13-H3C(O)CH3
   16162.9442  0.0034 -6.3828 3   11.2134104  595161404 6 4 2 2     6 3 3 2      C-13-H3C(O)CH3
   16178.1605  0.0007 -6.3808 3   11.1450104  595161404 6 4 2 0     6 3 3 0      C-13-H3C(O)CH3
   16246.1060  0.0041 -7.6655 3    5.7902 36  595161404 4 4 1 4     4 3 1 4      C-13-H3C(O)CH3
   16268.3824  0.0017 -6.7974 3    7.7659 44  595161404 5 3 2 3     5 2 3 3      C-13-H3C(O)CH3
   16283.3765  0.0014 -6.4943 3    7.6942 88  595161404 5 3 2 2     5 2 3 2      C-13-H3C(O)CH3
   16289.3590  0.0011 -6.7968 3    7.7664 44  595161404 5 3 2 4     5 2 3 4      C-13-H3C(O)CH3
   16290.8543  0.0012 -6.4944 3    7.6953 88  595161404 5 3 2 1     5 2 3 1      C-13-H3C(O)CH3
   16295.5519  0.0007 -6.4925 3    7.6235 88  595161404 5 3 2 0     5 2 3 0      C-13-H3C(O)CH3
   16923.3060  0.0045 -7.3742 3    5.7166 72  595161404 4 4 1 1     4 3 1 1      C-13-H3C(O)CH3
   17018.9731  0.0056 -7.3850 3    5.7158 72  595161404 4 4 1 2     4 3 1 2      C-13-H3C(O)CH3
   17424.8745  0.0053 -8.2968 3   42.8616100  59516140412 8 5 4    12 7 5 4      C-13-H3C(O)CH3
   17733.7148  0.0045 -8.5024 3   42.8110200  59516140412 8 5 1    12 7 5 1      C-13-H3C(O)CH3
   17738.7444  0.0023 -7.0601 3    5.7871 36  595161404 4 4 0 3     4 3 1 3      C-13-H3C(O)CH3
   17867.8470  0.0009 -6.9151 3    4.7999 36 -595161404 4 2 2 3     4 1 3 3      C-13-H3C(O)CH3
   17876.8275  0.0048 -8.6102 3   42.8063200  59516140412 8 5 2    12 7 5 2      C-13-H3C(O)CH3
   17883.9880  0.0010 -6.6120 3    4.7262 72 -595161404 4 2 2 2     4 1 3 2      C-13-H3C(O)CH3
   17886.7370  0.0011 -6.9145 3    4.8000 36 -595161404 4 2 2 4     4 1 3 4      C-13-H3C(O)CH3
   17895.7250  0.0010 -6.6119 3    4.7269 72 -595161404 4 2 2 1     4 1 3 1      C-13-H3C(O)CH3
   17902.6390  0.0008 -6.6101 3    4.6534 72 -595161404 4 2 2 0     4 1 3 0      C-13-H3C(O)CH3
   17943.2549  0.0022 -6.7458 3    5.6440 72  595161404 4 4 0 0     4 3 1 0      C-13-H3C(O)CH3
   18100.7972  0.0042 -7.4639 3   11.8232 52  595161404 6 5 2 4     6 4 2 4      C-13-H3C(O)CH3
   18135.2968  0.0012 -8.7868 3    1.3045 20  595161404 2 2 0 4     2 1 2 4      C-13-H3C(O)CH3
   18192.2088  0.0039 -6.8614 3    5.7158 72  595161404 4 4 0 2     4 3 1 2      C-13-H3C(O)CH3
   18198.8599  0.0036 -6.8658 3    5.7166 72  595161404 4 4 0 1     4 3 1 1      C-13-H3C(O)CH3
   18199.1829  0.0038 -6.5416 3   15.3571 60  595161404 7 5 2 3     7 4 3 3      C-13-H3C(O)CH3
   18296.9873  0.0026 -6.2387 3   15.2917120  595161404 7 5 2 1     7 4 3 1      C-13-H3C(O)CH3
   18321.1723  0.0034 -6.2375 3   15.2897120  595161404 7 5 2 2     7 4 3 2      C-13-H3C(O)CH3
   18342.9512  0.0016 -6.2340 3   15.2238120  595161404 7 5 2 0     7 4 3 0      C-13-H3C(O)CH3
   18345.9184  0.0020 -6.5443 3   15.3584 60  595161404 7 5 2 4     7 4 3 4      C-13-H3C(O)CH3
   18346.5490  0.0020 -7.2440 3    3.1399 28 -595161404 3 3 1 4     3 2 2 4      C-13-H3C(O)CH3
   18540.5880  0.0048 -7.9052 3   30.3606 84  59516140410 7 4 4    10 6 4 4      C-13-H3C(O)CH3
   18564.9618  0.0032 -7.1680 3    5.7902 36  595161404 4 4 0 4     4 3 1 4      C-13-H3C(O)CH3
   18688.0120  0.0020 -6.8886 3    3.0671 56 -595161404 3 3 1 1     3 2 2 1      C-13-H3C(O)CH3
   18729.1580  0.0025 -6.8820 3    3.0668 56 -595161404 3 3 1 2     3 2 2 2      C-13-H3C(O)CH3
   18741.2808  0.0043 -7.3973 3   11.7539104  595161404 6 5 2 1     6 4 2 1      C-13-H3C(O)CH3
   18780.1940  0.0010 -7.1470 3    3.1407 28 -595161404 3 3 1 3     3 2 2 3      C-13-H3C(O)CH3
   18833.3280  0.0043 -7.5968 3   20.0133 68  595161404 8 6 3 4     8 5 3 4      C-13-H3C(O)CH3
   18847.2834  0.0051 -7.4466 3   11.7525104  595161404 6 5 2 2     6 4 2 2      C-13-H3C(O)CH3
   18911.3880  0.0013 -6.8395 3    2.9937 56 -595161404 3 3 1 0     3 2 2 0      C-13-H3C(O)CH3
   18933.9567  0.0042 -8.0862 3   30.3028168  59516140410 7 4 1    10 6 4 1      C-13-H3C(O)CH3
   19062.2135  0.0046 -8.1777 3   30.2994168  59516140410 7 4 2    10 6 4 2      C-13-H3C(O)CH3
   19345.4884  0.0041 -7.7021 3   19.9493136  595161404 8 6 3 1     8 5 3 1      C-13-H3C(O)CH3
   19460.2680  0.0046 -7.7770 3   19.9470136  595161404 8 6 3 2     8 5 3 2      C-13-H3C(O)CH3
   19775.3330  0.0011 -7.1341 3    2.3996 28 -595161404 3 1 2 3     3 0 3 3      C-13-H3C(O)CH3
   19787.3580  0.0010 -7.1336 3    2.3996 28 -595161404 3 1 2 4     3 0 3 4      C-13-H3C(O)CH3
   19803.9030  0.0012 -6.8308 3    2.3240 56 -595161404 3 1 2 2     3 0 3 2      C-13-H3C(O)CH3
   19811.4380  0.0011 -6.8308 3    2.3246 56 -595161404 3 1 2 1     3 0 3 1      C-13-H3C(O)CH3
   19834.0810  0.0008 -6.8288 3    2.2492 56 -595161404 3 1 2 0     3 0 3 0      C-13-H3C(O)CH3
   20096.3762  0.0024 -7.9042 3    3.0668 56  595161404 3 3 0 2     3 2 2 2      C-13-H3C(O)CH3
   20109.1325  0.0022 -7.8474 3    3.0671 56  595161404 3 3 0 1     3 2 2 1      C-13-H3C(O)CH3
   20175.1470  0.0076 -8.8078 3  104.2533156  5951614041912 8 4    1911 8 4      C-13-H3C(O)CH3
   20378.9146  0.0025 -7.8525 3    3.1399 28  595161404 3 3 0 4     3 2 2 4      C-13-H3C(O)CH3
   20454.5053  0.0021 -6.6331 3   11.8208 52  595161404 6 5 1 3     6 4 2 3      C-13-H3C(O)CH3
   20706.0961  0.0027 -6.3230 3   11.6846104  595161404 6 5 1 0     6 4 2 0      C-13-H3C(O)CH3
   20789.4790  0.0032 -6.3653 3   11.7539104  595161404 6 5 1 1     6 4 2 1      C-13-H3C(O)CH3
   20803.5407  0.0032 -6.3597 3   11.7525104  595161404 6 5 1 2     6 4 2 2      C-13-H3C(O)CH3
   21092.8723  0.0039 -6.3728 3   19.3078 68  595161404 8 5 3 3     8 4 4 3      C-13-H3C(O)CH3
   21110.8719  0.0035 -6.6966 3   11.8232 52  595161404 6 5 1 4     6 4 2 4      C-13-H3C(O)CH3
   21113.1329  0.0033 -6.0698 3   19.2428136  595161404 8 5 3 2     8 4 4 2      C-13-H3C(O)CH3
   21118.5270  0.0025 -6.0700 3   19.2449136  595161404 8 5 3 1     8 4 4 1      C-13-H3C(O)CH3
   21122.1396  0.0017 -6.3724 3   19.3088 68  595161404 8 5 3 4     8 4 4 4      C-13-H3C(O)CH3
   21124.4564  0.0007 -6.0683 3   19.1796136  595161404 8 5 3 0     8 4 4 0      C-13-H3C(O)CH3
   21752.5042  0.0052 -6.2910 3   24.5536 76  595161404 9 6 3 3     9 5 4 3      C-13-H3C(O)CH3
   21819.9076  0.0034 -5.9879 3   24.4939152  595161404 9 6 3 1     9 5 4 1      C-13-H3C(O)CH3
   21832.3530  0.0021 -6.2912 3   24.5550 76  595161404 9 6 3 4     9 5 4 4      C-13-H3C(O)CH3
   21840.8048  0.0044 -5.9870 3   24.4910152  595161404 9 6 3 2     9 5 4 2      C-13-H3C(O)CH3
   21867.6440  0.0012 -5.9848 3   24.4309152  595161404 9 6 3 0     9 5 4 0      C-13-H3C(O)CH3
   21945.7407  0.0027 -7.0772 3    5.6001 36  595161404 4 4 1 4     4 3 2 4      C-13-H3C(O)CH3
   22088.5480  0.0007 -7.0754 3    2.4031 28 -595161404 3 2 2 4     3 1 3 4      C-13-H3C(O)CH3
   22112.1680  0.0007 -7.0741 3    2.4031 28 -595161404 3 2 2 3     3 1 3 3      C-13-H3C(O)CH3
   22152.8420  0.0009 -6.7711 3    2.3281 56 -595161404 3 2 2 1     3 1 3 1      C-13-H3C(O)CH3
   22155.8120  0.0039 -8.7338 3   40.0285216  59516140413 310 0    12 6 7 0      C-13-H3C(O)CH3
   22158.2590  0.0009 -6.7707 3    2.3276 56 -595161404 3 2 2 2     3 1 3 2      C-13-H3C(O)CH3
   22165.5400  0.0004 -6.7259 3    0.3962 40 -595161404 2 0 2 0     1 1 1 0      C-13-H3C(O)CH3
   22167.6710  0.0007 -7.0264 3    0.5472 20 -595161404 2 0 2 3     1 1 1 3      C-13-H3C(O)CH3
   22170.1520  0.0006 -6.7261 3    0.4712 40 -595161404 2 0 2 2     1 1 1 2      C-13-H3C(O)CH3
   22176.4230  0.0006 -6.7256 3    0.4716 40 -595161404 2 0 2 1     1 1 1 1      C-13-H3C(O)CH3
   22194.5480  0.0005 -7.0271 3    0.5464 20 -595161404 2 0 2 4     1 1 1 4      C-13-H3C(O)CH3
   22210.6220  0.0010 -6.7682 3    2.2528 56 -595161404 3 2 2 0     3 1 3 0      C-13-H3C(O)CH3
   22286.9423  0.0043 -8.7343 3   40.0799216  59516140413 310 1    12 6 7 1      C-13-H3C(O)CH3
   22303.7272  0.0042 -8.7309 3   40.0786216  59516140413 310 2    12 6 7 2      C-13-H3C(O)CH3
   22395.7126  0.0045 -8.7376 3   94.2623328  59516140420 515 0    19 812 0      C-13-H3C(O)CH3
   22398.6411  0.0045 -8.7375 3   94.2622328  59516140420 615 0    19 712 0      C-13-H3C(O)CH3
   22477.0387  0.0035 -6.7484 3    5.5313 72  595161404 4 4 1 1     4 3 2 1      C-13-H3C(O)CH3
   22549.7804  0.0044 -6.7417 3    5.5314 72  595161404 4 4 1 2     4 3 2 2      C-13-H3C(O)CH3
   22568.3891  0.0051 -8.7361 3   94.2889328  59516140420 515 1    19 812 1      C-13-H3C(O)CH3
   22571.1907  0.0051 -8.7360 3   94.2888328  59516140420 615 1    19 712 1      C-13-H3C(O)CH3
   22589.1363  0.0050 -8.7325 3   94.2873328  59516140420 515 2    19 812 2      C-13-H3C(O)CH3
   22592.0440  0.0050 -8.7324 3   94.2872328  59516140420 615 2    19 712 2      C-13-H3C(O)CH3
   22602.4169  0.0040 -8.7158 3   40.0136216  59516140413 410 0    12 5 7 0      C-13-H3C(O)CH3
   22618.2316  0.0013 -6.1211 3   14.5352120  595161404 7 4 3 2     7 3 4 2      C-13-H3C(O)CH3
   22618.6917  0.0013 -6.4237 3   14.6026 60  595161404 7 4 3 3     7 3 4 3      C-13-H3C(O)CH3
   22627.2823  0.0012 -6.1197 3   14.4691120  595161404 7 4 3 0     7 3 4 0      C-13-H3C(O)CH3
   22639.5312  0.0013 -6.1210 3   14.5366120  595161404 7 4 3 1     7 3 4 1      C-13-H3C(O)CH3
   22643.2303  0.0016 -6.4232 3   14.6031 60  595161404 7 4 3 4     7 3 4 4      C-13-H3C(O)CH3
   22718.2205  0.0044 -8.7170 3   40.0655216  59516140413 410 1    12 5 7 1      C-13-H3C(O)CH3
   22743.1539  0.0043 -8.7133 3   40.0640216  59516140413 410 2    12 5 7 2      C-13-H3C(O)CH3
   22758.3784  0.0050 -8.7970 3  170.9979440  59516140427 720 0    261017 0      C-13-H3C(O)CH3
   22758.3914  0.0050 -8.7970 3  170.9979440  59516140427 820 0    26 917 0      C-13-H3C(O)CH3
   22773.4448  0.0018 -6.9193 3    5.6031 36  595161404 4 4 1 3     4 3 2 3      C-13-H3C(O)CH3
   22809.5389  0.0022 -6.3653 3   20.0114 68  595161404 8 6 2 3     8 5 3 3      C-13-H3C(O)CH3
   22833.2357  0.0076 -8.2942 3   84.1530140  5951614041711 7 4    1710 7 4      C-13-H3C(O)CH3
   22845.0410  0.0056 -7.5379 3    8.8185 44  595161404 5 5 1 4     5 4 1 4      C-13-H3C(O)CH3
   22922.0527  0.0056 -8.7953 3  170.9995440  59516140427 720 1    261017 1      C-13-H3C(O)CH3
   22922.0653  0.0056 -8.7953 3  170.9995440  59516140427 820 1    26 917 1      C-13-H3C(O)CH3
   22941.4341  0.0056 -8.7918 3  170.9978440  59516140427 720 2    261017 2      C-13-H3C(O)CH3
   22941.4475  0.0056 -8.7918 3  170.9978440  59516140427 820 2    26 917 2      C-13-H3C(O)CH3
   22961.9363  0.0018 -6.6067 3    5.4613 72  595161404 4 4 1 0     4 3 2 0      C-13-H3C(O)CH3
   23045.3082  0.0027 -6.0700 3   19.9493136  595161404 8 6 2 1     8 5 3 1      C-13-H3C(O)CH3
   23078.6664  0.0029 -6.0559 3   19.8842136  595161404 8 6 2 0     8 5 3 0      C-13-H3C(O)CH3
   23081.4423  0.0027 -6.0670 3   19.9470136  595161404 8 6 2 2     8 5 3 2      C-13-H3C(O)CH3
   23124.3810  0.0059 -8.4891 3   84.1232280  5951614041711 7 1    1710 7 1      C-13-H3C(O)CH3
   23233.8539  0.0033 -6.3885 3   20.0133 68  595161404 8 6 2 4     8 5 3 4      C-13-H3C(O)CH3
   23288.5675  0.0008 -6.7926 3    4.8233 36  595161404 4 3 2 4     4 2 3 4      C-13-H3C(O)CH3
   23345.8688  0.0058 -8.6479 3   84.1150280  5951614041711 7 2    1710 7 2      C-13-H3C(O)CH3
   23374.4087  0.0009 -6.7861 3    4.8234 36  595161404 4 3 2 3     4 2 3 3      C-13-H3C(O)CH3
   23405.8951  0.0011 -6.4846 3    4.7506 72  595161404 4 3 2 1     4 2 3 1      C-13-H3C(O)CH3
   23420.6151  0.0012 -6.4838 3    4.7501 72  595161404 4 3 2 2     4 2 3 2      C-13-H3C(O)CH3
   23495.4249  0.0012 -6.4799 3    4.6776 72  595161404 4 3 2 0     4 2 3 0      C-13-H3C(O)CH3
   23723.0162  0.0044 -7.1946 3    5.5314 72  595161404 4 4 0 2     4 3 2 2      C-13-H3C(O)CH3
   23752.5926  0.0039 -7.1798 3    5.5313 72  595161404 4 4 0 1     4 3 2 1      C-13-H3C(O)CH3
   23835.1774  0.0062 -7.0643 3    8.7434 88  595161404 5 5 1 1     5 4 1 1      C-13-H3C(O)CH3
   23933.0883  0.0029 -8.6316 3   19.3737152  595161404 9 2 7 0     8 5 4 0      C-13-H3C(O)CH3
   23966.3813  0.0077 -7.0483 3    8.7427 88  595161404 5 5 1 2     5 4 1 2      C-13-H3C(O)CH3
   24054.8426  0.0030 -8.6303 3   19.4346152  595161404 9 2 7 2     8 5 4 2      C-13-H3C(O)CH3
   24060.7287  0.0031 -8.6325 3   19.4350152  595161404 9 2 7 1     8 5 4 1      C-13-H3C(O)CH3
   24264.5965  0.0039 -7.4341 3    5.6001 36  595161404 4 4 0 4     4 3 2 4      C-13-H3C(O)CH3
   24432.3534  0.0054 -7.8481 3    8.8088 44  595161404 5 5 1 3     5 4 1 3      C-13-H3C(O)CH3
   24498.4380  0.0004 -6.8354 3    0.4873 20 -595161404 2 1 2 4     1 0 1 4      C-13-H3C(O)CH3
   24509.9000  0.0006 -6.8348 3    0.4871 20 -595161404 2 1 2 3     1 0 1 3      C-13-H3C(O)CH3
   24519.0570  0.0005 -6.5332 3    0.4115 40 -595161404 2 1 2 1     1 0 1 1      C-13-H3C(O)CH3
   24522.8150  0.0006 -6.5331 3    0.4109 40 -595161404 2 1 2 2     1 0 1 2      C-13-H3C(O)CH3
   24537.6010  0.0005 -6.5323 3    0.3354 40 -595161404 2 1 2 0     1 0 1 0      C-13-H3C(O)CH3
   24651.0731  0.0045 -6.8409 3    8.8088 44  595161404 5 5 0 3     5 4 1 3      C-13-H3C(O)CH3
   24910.2365  0.0029 -6.4909 3    8.6722 88  595161404 5 5 0 0     5 4 1 0      C-13-H3C(O)CH3
   25048.5745  0.0073 -7.8258 3   66.1994124  5951614041510 6 4    15 9 6 4      C-13-H3C(O)CH3
   25169.4215  0.0034 -6.1668 3   30.3589 84  59516140410 7 3 3    10 6 4 3      C-13-H3C(O)CH3
   25228.7328  0.0016 -6.4768 3   10.4415 52  595161404 6 3 3 3     6 2 4 3      C-13-H3C(O)CH3
   25237.8821  0.0017 -6.1741 3   10.3716104  595161404 6 3 3 2     6 2 4 2      C-13-H3C(O)CH3
   25252.0525  0.0017 -6.4762 3   10.4417 52  595161404 6 3 3 4     6 2 4 4      C-13-H3C(O)CH3
   25258.1098  0.0013 -6.1725 3   10.3025104  595161404 6 3 3 0     6 2 4 0      C-13-H3C(O)CH3
   25260.2687  0.0016 -6.1739 3   10.3724104  595161404 6 3 3 1     6 2 4 1      C-13-H3C(O)CH3
   25309.6647  0.0015 -6.6261 3    7.8489 44  595161404 5 4 2 4     5 3 3 4      C-13-H3C(O)CH3
   25310.2759  0.0041 -6.6268 3    8.7434 88  595161404 5 5 0 1     5 4 1 1      C-13-H3C(O)CH3
   25311.2721  0.0044 -6.6320 3    8.7427 88  595161404 5 5 0 2     5 4 1 2      C-13-H3C(O)CH3
   25336.6770  0.0028 -5.8649 3   30.3028168  59516140410 7 3 1    10 6 4 1      C-13-H3C(O)CH3
   25362.3992  0.0058 -7.0907 3   15.9704 60  595161404 7 6 2 4     7 5 2 4      C-13-H3C(O)CH3
   25384.3574  0.0033 -5.8631 3   30.2994168  59516140410 7 3 2    10 6 4 2      C-13-H3C(O)CH3
   25413.5384  0.0029 -6.1731 3   30.3606 84  59516140410 7 3 4    10 6 4 4      C-13-H3C(O)CH3
   25422.8602  0.0026 -5.8584 3   30.2426168  59516140410 7 3 0    10 6 4 0      C-13-H3C(O)CH3
   25436.4114  0.0058 -8.0146 3   66.1609248  5951614041510 6 1    15 9 6 1      C-13-H3C(O)CH3
   25571.3446  0.0016 -6.3018 3    7.7793 88  595161404 5 4 2 1     5 3 3 1      C-13-H3C(O)CH3
   25581.4105  0.0011 -6.5953 3    7.8496 44  595161404 5 4 2 3     5 3 3 3      C-13-H3C(O)CH3
   25605.4138  0.0019 -6.2995 3    7.7789 88  595161404 5 4 2 2     5 3 3 2      C-13-H3C(O)CH3
   25644.0519  0.0058 -8.1429 3   66.1543248  5951614041510 6 2    15 9 6 2      C-13-H3C(O)CH3
   25654.3857  0.0034 -6.8727 3    8.8185 44  595161404 5 5 0 4     5 4 1 4      C-13-H3C(O)CH3
   25741.1142  0.0015 -6.2886 3    7.7092 88  595161404 5 4 2 0     5 3 3 0      C-13-H3C(O)CH3
   25921.9356  0.0058 -6.0831 3   35.8926 92  59516140411 7 4 3    11 6 5 3      C-13-H3C(O)CH3
   25961.2034  0.0038 -5.7804 3   35.8397184  59516140411 7 4 1    11 6 5 1      C-13-H3C(O)CH3
   25963.3540  0.0021 -6.0829 3   35.8939 92  59516140411 7 4 4    11 6 5 4      C-13-H3C(O)CH3
   25968.5522  0.0049 -5.7799 3   35.8359184  59516140411 7 4 2    11 6 5 2      C-13-H3C(O)CH3
   25987.4015  0.0008 -5.7783 3   35.7826184  59516140411 7 4 0    11 6 5 0      C-13-H3C(O)CH3
   26244.0673  0.0042 -8.5480 3   60.8664264  59516140416 412 0    15 7 9 0      C-13-H3C(O)CH3
   26327.2593  0.0042 -8.5452 3   60.8636264  59516140416 512 0    15 6 9 0      C-13-H3C(O)CH3
   26344.7202  0.0062 -6.7798 3   15.9021120  595161404 7 6 2 1     7 5 2 1      C-13-H3C(O)CH3
   26387.5934  0.0047 -8.5486 3   60.9073264  59516140416 412 1    15 7 9 1      C-13-H3C(O)CH3
   26408.7763  0.0046 -8.5452 3   60.9057264  59516140416 412 2    15 7 9 2      C-13-H3C(O)CH3
   26442.1339  0.0046 -8.5916 3  124.9508376  59516140423 617 0    22 914 0      C-13-H3C(O)CH3
   26442.5909  0.0046 -8.5916 3  124.9508376  59516140423 717 0    22 814 0      C-13-H3C(O)CH3
   26467.4915  0.0047 -8.5459 3   60.9046264  59516140416 512 1    15 6 9 1      C-13-H3C(O)CH3
   26490.7183  0.0046 -8.5424 3   60.9030264  59516140416 512 2    15 6 9 2      C-13-H3C(O)CH3
   26497.6551  0.0076 -6.7881 3   15.9008120  595161404 7 6 2 2     7 5 2 2      C-13-H3C(O)CH3
   26580.4977  0.0069 -7.4148 3   50.3998108  59516140413 9 5 4    13 8 5 4      C-13-H3C(O)CH3
   26604.9713  0.0027 -6.8489 3    8.6931 44  595161404 5 5 1 4     5 4 2 4      C-13-H3C(O)CH3
   26609.4429  0.0051 -8.5910 3  124.9658376  59516140423 617 1    22 914 1      C-13-H3C(O)CH3
   26609.8815  0.0051 -8.5910 3  124.9658376  59516140423 717 1    22 814 1      C-13-H3C(O)CH3
   26630.8221  0.0051 -8.5875 3  124.9641376  59516140423 617 2    22 914 2      C-13-H3C(O)CH3
   26631.2810  0.0051 -8.5875 3  124.9641376  59516140423 717 2    22 814 2      C-13-H3C(O)CH3
   26709.9059  0.0020 -8.4161 3    8.1671104  595161404 6 2 5 0     5 3 2 0      C-13-H3C(O)CH3
   26711.4028  0.0022 -8.4235 3    8.2387104  595161404 6 2 5 1     5 3 2 1      C-13-H3C(O)CH3
   26716.9319  0.0025 -8.7285 3    8.3098 52  595161404 6 2 5 4     5 3 2 4      C-13-H3C(O)CH3
   26734.0175  0.0022 -8.4196 3    8.2374104  595161404 6 2 5 2     5 3 2 2      C-13-H3C(O)CH3
   26753.3869  0.0020 -8.7278 3    8.3086 52  595161404 6 2 5 3     5 3 2 3      C-13-H3C(O)CH3
   26788.4907  0.0043 -8.3920 3   15.9642 60  595161404 7 6 2 3     7 5 2 3      C-13-H3C(O)CH3
   26801.6161  0.0027 -5.8163 3   29.4054168  59516140410 6 4 2    10 5 5 2      C-13-H3C(O)CH3
   26803.6617  0.0013 -5.8151 3   29.3486168  59516140410 6 4 0    10 5 5 0      C-13-H3C(O)CH3
   26812.3502  0.0031 -6.1185 3   29.4645 84  59516140410 6 4 3    10 5 5 3      C-13-H3C(O)CH3
   26812.3803  0.0061 -6.9781 3   25.2832 76  595161404 9 7 3 4     9 6 3 4      C-13-H3C(O)CH3
   26825.8662  0.0023 -5.8161 3   29.4080168  59516140410 6 4 1    10 5 5 1      C-13-H3C(O)CH3
   26836.8232  0.0021 -6.1181 3   29.4654 84  59516140410 6 4 4    10 5 5 4      C-13-H3C(O)CH3
   26868.7645  0.0054 -8.6836 3  211.5192488  59516140430 822 0    291119 0      C-13-H3C(O)CH3
   26868.7664  0.0054 -8.6836 3  211.5192488  59516140430 922 0    291019 0      C-13-H3C(O)CH3
   27006.2341  0.0061 -8.6833 3  211.5112488  59516140430 822 1    291119 1      C-13-H3C(O)CH3
   27006.2359  0.0061 -8.6833 3  211.5112488  59516140430 922 1    291019 1      C-13-H3C(O)CH3
   27024.8869  0.0061 -8.6800 3  211.5094488  59516140430 822 2    291119 2      C-13-H3C(O)CH3
   27024.8888  0.0061 -8.6800 3  211.5094488  59516140430 922 2    291019 2      C-13-H3C(O)CH3
   27104.8352  0.0057 -7.5673 3   50.3532216  59516140413 9 5 1    13 8 5 1      C-13-H3C(O)CH3
   27165.5136  0.0039 -6.5802 3    8.6323 88  595161404 5 5 1 1     5 4 2 1      C-13-H3C(O)CH3
   27212.2817  0.0065 -7.1066 3   36.7599 92  59516140411 8 4 4    11 7 4 4      C-13-H3C(O)CH3
   27252.6735  0.0050 -6.5832 3    8.6330 88  595161404 5 5 1 2     5 4 2 2      C-13-H3C(O)CH3
   27296.6318  0.0059 -7.6701 3   50.3481216  59516140413 9 5 2    13 8 5 2      C-13-H3C(O)CH3
   27471.0608  0.0035 -6.4201 3   15.9642 60  595161404 7 6 1 3     7 5 2 3      C-13-H3C(O)CH3
   27606.8712  0.0045 -6.7659 3    8.7029 44  595161404 5 5 1 3     5 4 2 3      C-13-H3C(O)CH3
   27648.9571  0.0015 -6.5761 3    6.8436 44  595161404 5 2 3 3     5 1 4 3      C-13-H3C(O)CH3
   27663.1484  0.0015 -6.5757 3    6.8437 44  595161404 5 2 3 4     5 1 4 4      C-13-H3C(O)CH3
   27679.5658  0.0016 -6.2731 3    6.7709 88  595161404 5 2 3 2     5 1 4 2      C-13-H3C(O)CH3
   27693.2415  0.0014 -6.2730 3    6.7715 88  595161404 5 2 3 1     5 1 4 1      C-13-H3C(O)CH3
   27702.7807  0.0059 -6.8563 3   25.2218152  595161404 9 7 3 1     9 6 3 1      C-13-H3C(O)CH3
   27716.8668  0.0012 -6.2713 3    6.6990 88  595161404 5 2 3 0     5 1 4 0      C-13-H3C(O)CH3
   27806.7948  0.0035 -6.1056 3   15.8357120  595161404 7 6 1 0     7 5 2 0      C-13-H3C(O)CH3
   27825.5910  0.0045 -7.7617 3    8.7029 44  595161404 5 5 0 3     5 4 2 3      C-13-H3C(O)CH3
   27856.5853  0.0053 -6.0057 3   42.8600100  59516140412 8 4 3    12 7 5 3      C-13-H3C(O)CH3
   27869.0807  0.0023 -6.4165 3    8.5678 88  595161404 5 5 1 0     5 4 2 0      C-13-H3C(O)CH3
   27870.8655  0.0069 -6.8996 3   25.2195152  595161404 9 7 3 2     9 6 3 2      C-13-H3C(O)CH3
   27920.6696  0.0057 -7.1608 3   36.7057184  59516140411 8 4 1    11 7 4 1      C-13-H3C(O)CH3
   27969.1974  0.0036 -5.7027 3   42.8110200  59516140412 8 4 1    12 7 5 1      C-13-H3C(O)CH3
   27984.8823  0.0026 -6.0070 3   42.8616100  59516140412 8 4 4    12 7 5 4      C-13-H3C(O)CH3
   28015.8840  0.0045 -5.7014 3   42.8063200  59516140412 8 4 2    12 7 5 2      C-13-H3C(O)CH3
   28053.8872  0.0096 -8.5215 3  139.2226180  5951614042214 9 4    2213 9 4      C-13-H3C(O)CH3
   28062.6319  0.0020 -5.6987 3   42.7566200  59516140412 8 4 0    12 7 5 0      C-13-H3C(O)CH3
   28093.2268  0.0026 -8.4057 3   15.6292136  595161404 8 2 6 0     7 5 3 0      C-13-H3C(O)CH3
   28093.6638  0.0047 -6.2125 3   15.9021120  595161404 7 6 1 1     7 5 2 1      C-13-H3C(O)CH3
   28099.0328  0.0063 -7.2374 3   36.7021184  59516140411 8 4 2    11 7 4 2      C-13-H3C(O)CH3
   28102.2609  0.0049 -6.2090 3   15.9008120  595161404 7 6 1 2     7 5 2 2      C-13-H3C(O)CH3
   28168.3573  0.0027 -6.5339 3   11.4874 52  595161404 6 5 2 4     6 4 3 4      C-13-H3C(O)CH3
   28244.5032  0.0028 -8.4057 3   15.6905136  595161404 8 2 6 2     7 5 3 2      C-13-H3C(O)CH3
   28252.9190  0.0071 -8.6813 3  139.2149360  5951614042214 9 1    2213 9 1      C-13-H3C(O)CH3
   28276.0871  0.0027 -8.4071 3   15.6901136  595161404 8 2 6 1     7 5 3 1      C-13-H3C(O)CH3
   28331.8098  0.0023 -8.7066 3   15.7546 68  595161404 8 2 6 3     7 5 3 3      C-13-H3C(O)CH3
   28518.4817  0.0024 -8.7093 3   15.7484 68  595161404 8 2 6 4     7 5 3 4      C-13-H3C(O)CH3
   28524.5760  0.0044 -6.5086 3   15.9704 60  595161404 7 6 1 4     7 5 2 4      C-13-H3C(O)CH3
   28597.5643  0.0062 -6.9310 3    8.6330 88  595161404 5 5 0 2     5 4 2 2      C-13-H3C(O)CH3
   28597.9555  0.0030 -8.4018 3   12.3248120  595161404 7 2 5 0     6 5 2 0      C-13-H3C(O)CH3
   28640.6122  0.0055 -6.9424 3    8.6323 88  595161404 5 5 0 1     5 4 2 1      C-13-H3C(O)CH3
   28686.6056  0.0029 -6.1820 3   11.4222104  595161404 6 5 2 1     6 4 3 1      C-13-H3C(O)CH3
   28755.8518  0.0036 -6.1752 3   11.4220104  595161404 6 5 2 2     6 4 3 2      C-13-H3C(O)CH3
   28831.6565  0.0015 -6.4370 3   11.4895 52  595161404 6 5 2 3     6 4 3 3      C-13-H3C(O)CH3
   28885.7998  0.0025 -8.6993 3   12.4512 60  595161404 7 2 5 3     6 5 2 3      C-13-H3C(O)CH3
   28891.7059  0.0022 -8.0233 3    7.7789 88  595161404 5 4 1 2     5 3 3 2      C-13-H3C(O)CH3
   28901.6809  0.0020 -7.9450 3    7.7793 88  595161404 5 4 1 1     5 3 3 1      C-13-H3C(O)CH3
   28932.8348  0.0045 -8.4388 3   12.3812120  595161404 7 2 5 2     6 5 2 2      C-13-H3C(O)CH3
   28988.2021  0.0016 -8.6448 3    4.8233 36  595161404 4 3 1 4     4 2 3 4      C-13-H3C(O)CH3
   29018.7705  0.0038 -8.4437 3   12.3790120  595161404 7 2 5 1     6 5 2 1      C-13-H3C(O)CH3
   29045.3594  0.0020 -6.1294 3   11.3559104  595161404 6 5 2 0     6 4 3 0      C-13-H3C(O)CH3
   29069.5949  0.0022 -7.7755 3    7.8489 44  595161404 5 4 1 4     5 3 3 4      C-13-H3C(O)CH3
   29146.0749  0.0011 -6.8089 3    3.8277 36  595161404 4 1 3 3     4 0 4 3      C-13-H3C(O)CH3
   29150.8028  0.0012 -6.8087 3    3.8277 36  595161404 4 1 3 4     4 0 4 4      C-13-H3C(O)CH3
   29194.7102  0.0013 -6.5056 3    3.7524 72  595161404 4 1 3 2     4 0 4 2      C-13-H3C(O)CH3
   29199.5846  0.0013 -6.5057 3    3.7529 72  595161404 4 1 3 1     4 0 4 1      C-13-H3C(O)CH3
   29200.3082  0.0075 -7.8325 3   12.5274 52  595161404 6 6 1 4     6 5 1 4      C-13-H3C(O)CH3
   29245.8138  0.0012 -6.5036 3    3.6778 72  595161404 4 1 3 0     4 0 4 0      C-13-H3C(O)CH3
   29414.3159  0.0056 -7.3701 3    8.6931 44  595161404 5 5 0 4     5 4 2 4      C-13-H3C(O)CH3
   29581.4164  0.0036 -6.1824 3   25.2792 76  595161404 9 7 2 3     9 6 3 3      C-13-H3C(O)CH3
   29590.1654  0.0019 -5.8295 3   23.5040152  595161404 9 5 4 2     9 4 5 2      C-13-H3C(O)CH3
   29594.4959  0.0018 -5.8284 3   23.4437152  595161404 9 5 4 0     9 4 5 0      C-13-H3C(O)CH3
   29610.6638  0.0017 -6.1316 3   23.5659 76  595161404 9 5 4 3     9 4 5 3      C-13-H3C(O)CH3
   29628.1693  0.0019 -5.8292 3   23.5057152  595161404 9 5 4 1     9 4 5 1      C-13-H3C(O)CH3
   29638.4796  0.0024 -6.1311 3   23.5663 76  595161404 9 5 4 4     9 4 5 4      C-13-H3C(O)CH3
   29758.4924  0.0033 -8.3994 3   19.1796152  595161404 9 3 7 0     8 4 4 0      C-13-H3C(O)CH3
   29764.9571  0.0035 -8.3823 3   34.6002200  59516140412 3 9 0    11 6 6 0      C-13-H3C(O)CH3
   29765.8118  0.0039 -8.4056 3   19.2449152  595161404 9 3 7 1     8 4 4 1      C-13-H3C(O)CH3
   29811.0079  0.0040 -8.4013 3   19.2428152  595161404 9 3 7 2     8 4 4 2      C-13-H3C(O)CH3
   29829.8283  0.0011 -6.7930 3    3.8282 36  595161404 4 2 3 4     4 1 4 4      C-13-H3C(O)CH3
   29835.2368  0.0009 -6.7928 3    3.8282 36  595161404 4 2 3 3     4 1 4 3      C-13-H3C(O)CH3
   29876.9917  0.0038 -8.3846 3   34.6539200  59516140412 3 9 1    11 6 6 1      C-13-H3C(O)CH3
   29890.3185  0.0037 -8.3815 3   34.6528200  59516140412 3 9 2    11 6 6 2      C-13-H3C(O)CH3
   29892.0658  0.0012 -6.4897 3    3.7535 72  595161404 4 2 3 1     4 1 4 1      C-13-H3C(O)CH3
   29893.1106  0.0012 -6.4894 3    3.7530 72  595161404 4 2 3 2     4 1 4 2      C-13-H3C(O)CH3
   29952.5394  0.0013 -6.4872 3    3.6785 72  595161404 4 2 3 0     4 1 4 0      C-13-H3C(O)CH3
   29966.3674  0.0038 -5.8715 3   25.1603152  595161404 9 7 2 0     9 6 3 0      C-13-H3C(O)CH3
   29987.1156  0.0010 -6.5241 3    6.8486 44  595161404 5 3 3 4     5 2 4 4      C-13-H3C(O)CH3
   29998.4318  0.0035 -8.6851 3   34.7068100  59516140412 3 9 3    11 6 6 3      C-13-H3C(O)CH3
   30006.3894  0.0042 -8.6847 3   34.7065100  59516140412 3 9 4    11 6 6 4      C-13-H3C(O)CH3
   30006.7162  0.0009 -6.5234 3    6.8487 44  595161404 5 3 3 3     5 2 4 3      C-13-H3C(O)CH3
   30060.9863  0.0011 -6.2204 3    6.7766 88  595161404 5 3 3 1     5 2 4 1      C-13-H3C(O)CH3
   30063.4145  0.0045 -5.9233 3   25.2218152  595161404 9 7 2 1     9 6 3 1      C-13-H3C(O)CH3
   30065.3456  0.0012 -6.2201 3    6.7761 88  595161404 5 3 3 2     5 2 4 2      C-13-H3C(O)CH3
   30087.1131  0.0025 -8.1233 3    3.8197 36  595161404 4 2 3 4     3 3 0 4      C-13-H3C(O)CH3
   30094.4817  0.0044 -5.9170 3   25.2195152  595161404 9 7 2 2     9 6 3 2      C-13-H3C(O)CH3
   30129.3137  0.0012 -6.2177 3    6.7042 88  595161404 5 3 3 0     5 2 4 0      C-13-H3C(O)CH3
   30253.6433  0.0043 -8.4084 3   86.0091312  59516140419 514 0    18 811 0      C-13-H3C(O)CH3
   30267.8400  0.0043 -8.4080 3   86.0086312  59516140419 614 0    18 711 0      C-13-H3C(O)CH3
   30361.8373  0.0023 -7.7430 3    3.7378 72  595161404 4 2 3 1     3 3 0 1      C-13-H3C(O)CH3
   30369.9248  0.0025 -7.7339 3    3.7371 72  595161404 4 2 3 2     3 3 0 2      C-13-H3C(O)CH3
   30404.7101  0.0048 -8.4093 3   86.0386312  59516140419 514 1    18 811 1      C-13-H3C(O)CH3
   30418.3114  0.0048 -8.4089 3   86.0381312  59516140419 614 1    18 711 1      C-13-H3C(O)CH3
   30427.7246  0.0047 -8.4058 3   86.0369312  59516140419 514 2    18 811 2      C-13-H3C(O)CH3
   30441.7732  0.0047 -8.4054 3   86.0364312  59516140419 614 2    18 711 2      C-13-H3C(O)CH3
   30455.7231  0.0050 -6.2512 3   25.2832 76  595161404 9 7 2 4     9 6 3 4      C-13-H3C(O)CH3
   30470.3562  0.0012 -7.6812 3    3.6612 72  595161404 4 2 3 0     3 3 0 0      C-13-H3C(O)CH3
   30515.4429  0.0048 -8.4832 3  159.9346424  59516140426 719 0    251016 0      C-13-H3C(O)CH3
   30515.5122  0.0048 -8.4832 3  159.9346424  59516140426 819 0    25 916 0      C-13-H3C(O)CH3
   30551.9417  0.0016 -7.9864 3    3.8043 36  595161404 4 2 3 3     3 3 0 3      C-13-H3C(O)CH3
   30599.2990  0.0081 -7.1257 3   12.4474104  595161404 6 6 1 1     6 5 1 1      C-13-H3C(O)CH3
   30652.7840  0.0009 -6.3649 3   10.4649 52  595161404 6 4 3 4     6 3 4 4      C-13-H3C(O)CH3
   30668.6008  0.0054 -8.4835 3  159.9387424  59516140426 719 1    251016 1      C-13-H3C(O)CH3
   30668.6678  0.0054 -8.4835 3  159.9387424  59516140426 819 1    25 916 1      C-13-H3C(O)CH3
   30689.8820  0.0053 -8.4801 3  159.9368424  59516140426 719 2    251016 2      C-13-H3C(O)CH3
   30689.9527  0.0053 -8.4801 3  159.9368424  59516140426 819 2    25 916 2      C-13-H3C(O)CH3
   30712.1090  0.0033 -7.1621 3   11.4220104  595161404 6 5 1 2     6 4 3 2      C-13-H3C(O)CH3
   30712.9113  0.0010 -6.3622 3   10.4651 52  595161404 6 4 3 3     6 3 4 3      C-13-H3C(O)CH3
   30734.8037  0.0031 -7.1092 3   11.4222104  595161404 6 5 1 1     6 4 3 1      C-13-H3C(O)CH3
   30761.8775  0.0012 -6.0597 3   10.3961104  595161404 6 4 3 1     6 3 4 1      C-13-H3C(O)CH3
   30771.1809  0.0100 -7.0781 3   12.4465104  595161404 6 6 1 2     6 5 1 2      C-13-H3C(O)CH3
   30774.5998  0.0013 -6.0592 3   10.3955104  595161404 6 4 3 2     6 3 4 2      C-13-H3C(O)CH3
   30853.6953  0.0013 -6.0564 3   10.3267104  595161404 6 4 3 0     6 3 4 0      C-13-H3C(O)CH3
   30889.2927  0.0045 -5.6010 3   49.3178216  59516140413 8 5 2    13 7 6 2      C-13-H3C(O)CH3
   30890.8003  0.0055 -5.9032 3   49.3674108  59516140413 8 5 3    13 7 6 3      C-13-H3C(O)CH3
   30892.9837  0.0011 -5.5999 3   49.2722216  59516140413 8 5 0    13 7 6 0      C-13-H3C(O)CH3
   30904.7628  0.0036 -5.6011 3   49.3223216  59516140413 8 5 1    13 7 6 1      C-13-H3C(O)CH3
   30913.2265  0.0023 -5.9030 3   49.3686108  59516140413 8 5 4    13 7 6 4      C-13-H3C(O)CH3
   31001.3972  0.0059 -8.6048 3  256.3288536  59516140433 924 0    321221 0      C-13-H3C(O)CH3
   31001.3975  0.0059 -8.6048 3  256.3288536  595161404331024 0    321121 0      C-13-H3C(O)CH3
   31106.8109  0.0068 -8.6057 3  256.3126536  59516140433 924 1    321221 1      C-13-H3C(O)CH3
   31106.8112  0.0068 -8.6059 3  256.3126536  595161404331024 1    321121 1      C-13-H3C(O)CH3
   31124.1541  0.0068 -8.6030 3  256.3108536  59516140433 924 2    321221 2      C-13-H3C(O)CH3
   31124.1544  0.0068 -8.6031 3  256.3108536  595161404331024 2    321121 2      C-13-H3C(O)CH3
   31141.2309  0.0068 -5.8665 3   57.5092116  59516140414 9 5 3    14 8 6 3      C-13-H3C(O)CH3
   31178.4321  0.0036 -7.1464 3   11.4874 52  595161404 6 5 1 4     6 4 3 4      C-13-H3C(O)CH3
   31200.5373  0.0024 -5.8666 3   57.5106116  59516140414 9 5 4    14 8 6 4      C-13-H3C(O)CH3
   31206.4585  0.0044 -5.5638 3   57.4680232  59516140414 9 5 1    14 8 6 1      C-13-H3C(O)CH3
   31239.5829  0.0056 -5.5629 3   57.4621232  59516140414 9 5 2    14 8 6 2      C-13-H3C(O)CH3
   31259.2709  0.0095 -7.9697 3  115.8185164  5951614042013 8 4    2012 8 4      C-13-H3C(O)CH3
   31274.1156  0.0032 -6.0164 3   36.7572 92  59516140411 8 3 3    11 7 4 3      C-13-H3C(O)CH3
   31275.1314  0.0013 -5.5612 3   57.4204232  59516140414 9 5 0    14 8 6 0      C-13-H3C(O)CH3
   31429.9599  0.0037 -8.3310 3   34.5447200  59516140412 4 9 0    11 5 6 0      C-13-H3C(O)CH3
   31492.9728  0.0042 -8.3349 3   34.6001200  59516140412 4 9 1    11 5 6 1      C-13-H3C(O)CH3
   31493.5165  0.0084 -7.1676 3   12.5031 52  595161404 6 6 1 3     6 5 1 3      C-13-H3C(O)CH3
   31530.6779  0.0041 -8.3311 3   34.5981200  59516140412 4 9 2    11 5 6 2      C-13-H3C(O)CH3
   31553.5995  0.0069 -8.1447 3  115.8021328  5951614042013 8 1    2012 8 1      C-13-H3C(O)CH3
   31588.2780  0.0048 -8.6362 3   34.6538100  59516140412 4 9 4    11 5 6 4      C-13-H3C(O)CH3
   31599.0350  0.0039 -8.6361 3   34.6534100  59516140412 4 9 3    11 5 6 3      C-13-H3C(O)CH3
   31618.8260  0.0039 -5.7265 3   36.7057184  59516140411 8 3 1    11 7 4 1      C-13-H3C(O)CH3
   31653.4816  0.0068 -6.7331 3   12.5031 52  595161404 6 6 0 3     6 5 1 3      C-13-H3C(O)CH3
   31674.9611  0.0039 -5.7064 3   36.6494184  59516140411 8 3 0    11 7 4 0      C-13-H3C(O)CH3
   31678.2229  0.0037 -5.7222 3   36.7021184  59516140411 8 3 2    11 7 4 2      C-13-H3C(O)CH3
   31730.8515  0.0017 -8.1902 3    5.7902 44  595161404 5 2 4 4     4 3 1 4      C-13-H3C(O)CH3
   31737.1329  0.0026 -8.6321 3    3.6915 72  595161404 4 2 3 2     3 3 1 2      C-13-H3C(O)CH3
   31778.2957  0.0020 -7.8794 3    5.7166 88  595161404 5 2 4 1     4 3 1 1      C-13-H3C(O)CH3
   31782.9546  0.0022 -8.5722 3    3.6904 72  595161404 4 2 3 1     3 3 1 1      C-13-H3C(O)CH3
   31784.8040  0.0023 -7.8762 3    5.7158 88  595161404 5 2 4 2     4 3 1 2      C-13-H3C(O)CH3
   31785.0309  0.0012 -7.8706 3    5.6440 88  595161404 5 2 4 0     4 3 1 0      C-13-H3C(O)CH3
   31826.1889  0.0025 -8.1818 3    5.7871 44  595161404 5 2 4 3     4 3 1 3      C-13-H3C(O)CH3
   31843.1348  0.0066 -8.3523 3  115.7917328  5951614042013 8 2    2012 8 2      C-13-H3C(O)CH3
   31866.7317  0.0050 -6.0496 3   36.7599 92  59516140411 8 3 4    11 7 4 4      C-13-H3C(O)CH3
   31936.6695  0.0032 -6.2885 3   12.3753104  595161404 6 6 0 0     6 5 1 0      C-13-H3C(O)CH3
   32016.3991  0.0033 -6.4342 3   15.7484 60  595161404 7 6 2 4     7 5 3 4      C-13-H3C(O)CH3
   32075.9744  0.0012 -6.2469 3   14.6785 60  595161404 7 5 3 4     7 4 4 4      C-13-H3C(O)CH3
   32119.4812  0.0022 -8.5477 3    3.7519 36  595161404 4 2 3 4     3 3 1 4      C-13-H3C(O)CH3
   32210.3829  0.0026 -6.6122 3   12.4269 52  595161404 6 6 1 4     6 5 2 4      C-13-H3C(O)CH3
   32246.2639  0.0012 -6.2360 3   14.6790 60  595161404 7 5 3 3     7 4 4 3      C-13-H3C(O)CH3
   32275.9754  0.0014 -5.9358 3   14.6135120  595161404 7 5 3 1     7 4 4 1      C-13-H3C(O)CH3
   32305.0360  0.0017 -5.9347 3   14.6129120  595161404 7 5 3 2     7 4 4 2      C-13-H3C(O)CH3
   32317.1360  0.0036 -6.3539 3   12.4474104  595161404 6 6 0 1     6 5 1 1      C-13-H3C(O)CH3
   32341.7198  0.0038 -6.3621 3   12.4465104  595161404 6 6 0 2     6 5 1 2      C-13-H3C(O)CH3
   32422.1058  0.0015 -5.9298 3   14.5478120  595161404 7 5 3 0     7 4 4 0      C-13-H3C(O)CH3
   32492.8318  0.0032 -6.6075 3   12.5274 52  595161404 6 6 0 4     6 5 1 4      C-13-H3C(O)CH3
   32574.6590  0.0075 -7.0799 3   20.7883 68  595161404 8 7 2 4     8 6 2 4      C-13-H3C(O)CH3
   32647.4972  0.0035 -6.3456 3   12.3790104  595161404 6 6 1 1     6 5 2 1      C-13-H3C(O)CH3
   32699.9819  0.0042 -6.1141 3   15.6901120  595161404 7 6 2 1     7 5 3 1      C-13-H3C(O)CH3
   32727.4381  0.0043 -6.3526 3   12.3812104  595161404 6 6 1 2     6 5 2 2      C-13-H3C(O)CH3
   32803.2316  0.0053 -6.1086 3   15.6905120  595161404 7 6 2 2     7 5 3 2      C-13-H3C(O)CH3
   32825.3470  0.0005 -6.3934 3    1.3046 28  595161404 3 0 3 3     2 1 2 3      C-13-H3C(O)CH3
   32830.3397  0.0006 -6.0923 3    1.2289 56  595161404 3 0 3 2     2 1 2 2      C-13-H3C(O)CH3
   32830.6008  0.0005 -6.3933 3    1.3045 28  595161404 3 0 3 4     2 1 2 4      C-13-H3C(O)CH3
   32832.4541  0.0006 -6.0922 3    1.2294 56  595161404 3 0 3 1     2 1 2 1      C-13-H3C(O)CH3
   32834.8356  0.0005 -6.0922 3    1.1539 56  595161404 3 0 3 0     2 1 2 0      C-13-H3C(O)CH3
   32872.9709  0.0031 -5.8897 3   50.3978108  59516140413 9 4 3    13 8 5 3      C-13-H3C(O)CH3
   32941.2830  0.0021 -6.1501 3   18.2090 68  595161404 8 4 4 3     8 3 5 3      C-13-H3C(O)CH3
   32942.0495  0.0022 -5.8478 3   18.1439136  595161404 8 4 4 2     8 3 5 2      C-13-H3C(O)CH3
   32963.9959  0.0018 -5.8464 3   18.0800136  595161404 8 4 4 0     8 3 5 0      C-13-H3C(O)CH3
   32965.6665  0.0023 -6.1496 3   18.2092 68  595161404 8 4 4 4     8 3 5 4      C-13-H3C(O)CH3
   32975.0076  0.0021 -5.8474 3   18.1450136  595161404 8 4 4 1     8 3 5 1      C-13-H3C(O)CH3
   33047.1559  0.0072 -6.7014 3   12.4512 52  595161404 6 6 1 3     6 5 2 3      C-13-H3C(O)CH3
   33069.8264  0.0024 -6.2995 3   15.7546 60  595161404 7 6 2 3     7 5 3 3      C-13-H3C(O)CH3
   33115.4056  0.0034 -5.5896 3   50.3532216  59516140413 9 4 1    13 8 5 1      C-13-H3C(O)CH3
   33193.9715  0.0034 -5.5869 3   50.3481216  59516140413 9 4 2    13 8 5 2      C-13-H3C(O)CH3
   33207.1210  0.0077 -7.1287 3   12.4512 52  595161404 6 6 0 3     6 5 2 3      C-13-H3C(O)CH3
   33218.3659  0.0045 -5.9009 3   50.3998108  59516140413 9 4 4    13 8 5 4      C-13-H3C(O)CH3
   33250.4502  0.0036 -5.5808 3   50.3027216  59516140413 9 4 0    13 8 5 0      C-13-H3C(O)CH3
   33267.8006  0.0021 -5.6025 3   41.6469200  59516140412 7 5 0    12 6 6 0      C-13-H3C(O)CH3
   33276.5750  0.0024 -5.6033 3   41.6963200  59516140412 7 5 2    12 6 6 2      C-13-H3C(O)CH3
   33321.6971  0.0025 -5.9049 3   41.7485100  59516140412 7 5 3    12 6 6 3      C-13-H3C(O)CH3
   33324.0397  0.0023 -5.6029 3   41.6994200  59516140412 7 5 1    12 6 6 1      C-13-H3C(O)CH3
   33346.2288  0.0029 -5.9045 3   41.7493100  59516140412 7 5 4    12 6 6 4      C-13-H3C(O)CH3
   33349.3233  0.0025 -5.9873 3   15.6292120  595161404 7 6 2 0     7 5 3 0      C-13-H3C(O)CH3
   33393.1295  0.0028 -6.2558 3   12.3248104  595161404 6 6 1 0     6 5 2 0      C-13-H3C(O)CH3
   33468.7996  0.0005 -6.3679 3    1.2867 28  595161404 3 1 3 4     2 0 2 4      C-13-H3C(O)CH3
   33473.1408  0.0006 -6.3678 3    1.2866 28  595161404 3 1 3 3     2 0 2 3      C-13-H3C(O)CH3
   33482.0840  0.0006 -6.0665 3    1.2113 56  595161404 3 1 3 1     2 0 2 1      C-13-H3C(O)CH3
   33484.2885  0.0006 -6.0665 3    1.2107 56  595161404 3 1 3 2     2 0 2 2      C-13-H3C(O)CH3
   33495.3518  0.0006 -6.0661 3    1.1356 56  595161404 3 1 3 0     2 0 2 0      C-13-H3C(O)CH3
   33752.3966  0.0022 -8.2410 3   15.7546 60  595161404 7 6 1 3     7 5 3 3      C-13-H3C(O)CH3
   33888.5241  0.0093 -7.4695 3   94.5674148  5951614041812 7 4    1811 7 4      C-13-H3C(O)CH3
   33913.5845  0.0075 -6.5666 3   20.7180136  595161404 8 7 2 1     8 6 2 1      C-13-H3C(O)CH3
   34103.4748  0.0092 -6.5444 3   20.7169136  595161404 8 7 2 2     8 6 2 2      C-13-H3C(O)CH3
   34169.7124  0.0039 -8.2367 3   54.1790248  59516140415 411 0    14 7 8 0      C-13-H3C(O)CH3
   34277.9268  0.0044 -8.3024 3  115.4511360  59516140422 616 0    21 913 0      C-13-H3C(O)CH3
   34280.2212  0.0044 -8.3023 3  115.4510360  59516140422 716 0    21 813 0      C-13-H3C(O)CH3
   34287.7940  0.0043 -8.2392 3   54.2227248  59516140415 411 1    14 7 8 1      C-13-H3C(O)CH3
   34297.9771  0.0085 -6.9993 3   12.3812104  595161404 6 6 0 2     6 5 2 2      C-13-H3C(O)CH3
   34310.1005  0.0042 -8.2358 3   54.2211248  59516140415 411 2    14 7 8 2      C-13-H3C(O)CH3
   34312.1717  0.0070 -7.6383 3   94.5422296  5951614041812 7 1    1811 7 1      C-13-H3C(O)CH3
   34362.7429  0.0023 -6.1650 3   19.4953 68  595161404 8 6 3 4     8 5 4 4      C-13-H3C(O)CH3
   34365.3342  0.0076 -7.0413 3   12.3790104  595161404 6 6 0 1     6 5 2 1      C-13-H3C(O)CH3
   34407.8374  0.0054 -6.6174 3   15.6905120  595161404 7 6 1 2     7 5 3 2      C-13-H3C(O)CH3
   34427.8563  0.0041 -8.5394 3   54.2650124  59516140415 411 3    14 7 8 3      C-13-H3C(O)CH3
   34428.2491  0.0049 -8.3035 3  115.4689360  59516140422 616 1    21 913 1      C-13-H3C(O)CH3
   34428.7304  0.0050 -8.5393 3   54.2650124  59516140415 411 4    14 7 8 4      C-13-H3C(O)CH3
   34430.4498  0.0049 -8.3035 3  115.4689360  59516140422 716 1    21 813 1      C-13-H3C(O)CH3
   34448.9256  0.0050 -6.6046 3   15.6901120  595161404 7 6 1 1     7 5 3 1      C-13-H3C(O)CH3
   34451.9036  0.0048 -8.3001 3  115.4671360  59516140422 616 2    21 913 2      C-13-H3C(O)CH3
   34454.1941  0.0048 -8.3001 3  115.4670360  59516140422 716 2    21 813 2      C-13-H3C(O)CH3
   34482.6656  0.0014 -8.1341 3    1.9094 28  595161404 3 1 2 4     2 2 0 4      C-13-H3C(O)CH3
   34521.7122  0.0039 -8.2274 3   54.1673248  59516140415 511 0    14 6 8 0      C-13-H3C(O)CH3
   34562.8048  0.0022 -8.4201 3    1.8317 56  595161404 3 1 2 2     2 2 0 2      C-13-H3C(O)CH3
   34570.7937  0.0018 -8.3371 3    1.8322 56  595161404 3 1 2 1     2 2 0 1      C-13-H3C(O)CH3
   34586.5695  0.0067 -7.7984 3   94.5337296  5951614041812 7 2    1811 7 2      C-13-H3C(O)CH3
   34602.4316  0.0059 -8.6022 3  115.4850180  59516140422 616 4    21 913 4      C-13-H3C(O)CH3
   34602.5445  0.0049 -8.6022 3  115.4850180  59516140422 616 3    21 913 3      C-13-H3C(O)CH3
   34604.6162  0.0059 -8.6022 3  115.4850180  59516140422 716 4    21 813 4      C-13-H3C(O)CH3
   34604.7482  0.0049 -8.6022 3  115.4849180  59516140422 716 3    21 813 3      C-13-H3C(O)CH3
   34613.7488  0.0052 -8.4055 3  199.2107472  59516140429 821 0    281118 0      C-13-H3C(O)CH3
   34613.7591  0.0052 -8.4055 3  199.2107472  59516140429 921 0    281018 0      C-13-H3C(O)CH3
   34627.0850  0.0044 -8.2302 3   54.2114248  59516140415 511 1    14 6 8 1      C-13-H3C(O)CH3
   34656.6855  0.0043 -8.2267 3   54.2096248  59516140415 511 2    14 6 8 2      C-13-H3C(O)CH3
   34675.3253  0.0060 -7.3876 3   20.7722 68  595161404 8 7 2 3     8 6 2 3      C-13-H3C(O)CH3
   34700.3225  0.0044 -5.7863 3   66.1978124  5951614041510 5 3    15 9 6 3      C-13-H3C(O)CH3
   34744.9733  0.0058 -8.4064 3  199.2048472  59516140429 821 1    281118 1      C-13-H3C(O)CH3
   34744.9834  0.0058 -8.4064 3  199.2048472  59516140429 921 1    281018 1      C-13-H3C(O)CH3
   34760.7979  0.0051 -8.5306 3   54.2539124  59516140415 511 4    14 6 8 4      C-13-H3C(O)CH3
   34763.4804  0.0041 -8.5306 3   54.2538124  59516140415 511 3    14 6 8 3      C-13-H3C(O)CH3
   34764.3042  0.0022 -5.8343 3   19.4350136  595161404 8 6 3 1     8 5 4 1      C-13-H3C(O)CH3
   34765.4804  0.0058 -8.4032 3  199.2029472  59516140429 821 2    281118 2      C-13-H3C(O)CH3
   34765.4911  0.0058 -8.4032 3  199.2029472  59516140429 921 2    281018 2      C-13-H3C(O)CH3
   34802.3220  0.0014 -6.1228 3   19.4969 68  595161404 8 6 3 3     8 5 4 3      C-13-H3C(O)CH3
   34822.7246  0.0026 -5.8311 3   19.4346136  595161404 8 6 3 2     8 5 4 2      C-13-H3C(O)CH3
   34863.3996  0.0035 -5.4839 3   66.1609248  5951614041510 5 1    15 9 6 1      C-13-H3C(O)CH3
   34868.5406  0.0010 -6.5701 3    0.6637 20  595161404 2 2 1 4     1 1 0 4      C-13-H3C(O)CH3
   34879.6272  0.0038 -5.7893 3   66.1994124  5951614041510 5 4    15 9 6 4      C-13-H3C(O)CH3
   34930.4083  0.0077 -6.7326 3   31.2083 84  59516140410 8 3 4    10 7 3 4      C-13-H3C(O)CH3
   34946.3693  0.0040 -5.4819 3   66.1543248  5951614041510 5 2    15 9 6 2      C-13-H3C(O)CH3
   34988.4507  0.0049 -6.2604 3   20.7722 68  595161404 8 7 1 3     8 6 2 3      C-13-H3C(O)CH3
   35016.2869  0.0030 -5.4788 3   66.1168248  5951614041510 5 0    15 9 6 0      C-13-H3C(O)CH3
   35024.8891  0.0011 -6.2363 3    0.5878 40  595161404 2 2 1 1     1 1 0 1      C-13-H3C(O)CH3
   35026.7437  0.0008 -6.5255 3    0.6628 20  595161404 2 2 1 3     1 1 0 3      C-13-H3C(O)CH3
   35029.7489  0.0019 -5.8161 3   19.3737136  595161404 8 6 3 0     8 5 4 0      C-13-H3C(O)CH3
   35041.4574  0.0013 -6.2338 3    0.5873 40  595161404 2 2 1 2     1 1 0 2      C-13-H3C(O)CH3
   35121.3123  0.0009 -6.2215 3    0.5120 40  595161404 2 2 1 0     1 1 0 0      C-13-H3C(O)CH3
   35153.7998  0.0065 -8.5576 3  305.4230584  595161404361126 0    351223 0      C-13-H3C(O)CH3
   35172.0663  0.0091 -8.4791 3   16.9218 60  595161404 7 7 1 4     7 6 1 4      C-13-H3C(O)CH3
   35178.5759  0.0052 -6.8771 3   15.7484 60  595161404 7 6 1 4     7 5 3 4      C-13-H3C(O)CH3
   35233.1850  0.0074 -5.7413 3   74.2992132  5951614041610 6 3    16 9 7 3      C-13-H3C(O)CH3
   35238.8906  0.0076 -8.5638 3  305.3990584  595161404361026 2    351323 2      C-13-H3C(O)CH3
   35238.8907  0.0076 -8.5638 3  305.3990584  595161404361126 2    351223 2      C-13-H3C(O)CH3
   35255.1273  0.0022 -5.7414 3   74.3006132  5951614041610 6 4    16 9 7 4      C-13-H3C(O)CH3
   35258.0877  0.0048 -5.4393 3   74.2666264  5951614041610 6 1    16 9 7 1      C-13-H3C(O)CH3
   35266.0781  0.0059 -5.4388 3   74.2597264  5951614041610 6 2    16 9 7 2      C-13-H3C(O)CH3
   35280.8170  0.0010 -5.4378 3   74.2266264  5951614041610 6 0    16 9 7 0      C-13-H3C(O)CH3
   35362.4824  0.0038 -5.9199 3   20.6540136  595161404 8 7 1 0     8 6 2 0      C-13-H3C(O)CH3
   35502.9065  0.0077 -7.6909 3   12.4269 52  595161404 6 6 0 4     6 5 2 4      C-13-H3C(O)CH3
   35610.8276  0.0017 -6.2033 3   13.4148 60  595161404 7 3 4 3     7 2 5 3      C-13-H3C(O)CH3
   35624.6366  0.0019 -6.2030 3   13.4148 60  595161404 7 3 4 4     7 2 5 4      C-13-H3C(O)CH3
   35642.4121  0.0018 -5.9006 3   13.3463120  595161404 7 3 4 2     7 2 5 2      C-13-H3C(O)CH3
   35661.7689  0.0017 -5.9005 3   13.3470120  595161404 7 3 4 1     7 2 5 1      C-13-H3C(O)CH3
   35686.5509  0.0015 -5.8989 3   13.2787120  595161404 7 3 4 0     7 2 5 0      C-13-H3C(O)CH3
   35704.4647  0.0092 -7.0417 3   75.4765132  5951614041611 6 4    1610 6 4      C-13-H3C(O)CH3
   35784.1152  0.0047 -6.0316 3   20.7180136  595161404 8 7 1 1     8 6 2 1      C-13-H3C(O)CH3
   35803.9659  0.0049 -6.0374 3   20.7169136  595161404 8 7 1 2     8 6 2 2      C-13-H3C(O)CH3
   36124.1922  0.0044 -6.2810 3   20.7883 68  595161404 8 7 1 4     8 6 2 4      C-13-H3C(O)CH3
   36168.6782  0.0073 -6.3832 3   31.1480168  59516140410 8 3 1    10 7 3 1      C-13-H3C(O)CH3
   36249.8161  0.0084 -6.6322 3   43.7951100  59516140412 9 4 4    12 8 4 4      C-13-H3C(O)CH3
   36314.3897  0.0070 -7.1632 3   75.4427264  5951614041611 6 1    1610 6 1      C-13-H3C(O)CH3
   36382.6435  0.0086 -6.3851 3   31.1461168 -59516140410 8 3 2    10 7 3 2      C-13-H3C(O)CH3
   36517.1627  0.0089 -6.7423 3   58.5514116 -5951614041410 5 4    14 9 5 4      C-13-H3C(O)CH3
   36573.1252  0.0071 -7.2841 3   75.4361264  5951614041611 6 2    1610 6 2      C-13-H3C(O)CH3
   36619.0990  0.0030 -8.0987 3   29.5172184  59516140411 3 8 0    10 6 5 0      C-13-H3C(O)CH3
   36685.7665  0.0019 -5.4426 3   64.8931248 -59516140415 9 6 0    15 8 7 0      C-13-H3C(O)CH3
   36698.7988  0.0038 -5.4432 3   64.9301248 -59516140415 9 6 2    15 8 7 2      C-13-H3C(O)CH3
   36725.2071  0.0054 -7.8491 3   31.1985 84  59516140410 8 3 3    10 7 3 3      C-13-H3C(O)CH3
   36731.0457  0.0032 -8.1015 3   29.5726184  59516140411 3 8 1    10 6 5 1      C-13-H3C(O)CH3
   36732.9564  0.0032 -8.0989 3   29.5718184  59516140411 3 8 2    10 6 5 2      C-13-H3C(O)CH3
   36743.6086  0.0033 -5.4429 3   64.9353248 -59516140415 9 6 1    15 8 7 1      C-13-H3C(O)CH3
   36750.2136  0.0045 -5.7446 3   64.9720124 -59516140415 9 6 3    15 8 7 3      C-13-H3C(O)CH3
   36765.9088  0.0030 -5.7445 3   64.9730124 -59516140415 9 6 4    15 8 7 4      C-13-H3C(O)CH3
   36793.1627  0.0010 -6.4657 3    1.6835 56 -595161404 3 1 2 0     2 2 1 0      C-13-H3C(O)CH3
   36814.5503  0.0016 -6.7644 3    1.8312 28  595161404 3 1 2 3     2 2 1 3      C-13-H3C(O)CH3
   36828.8618  0.0017 -6.4696 3    1.7561 56 -595161404 3 1 2 2     2 2 1 2      C-13-H3C(O)CH3
   36829.2082  0.0030 -8.4032 3   29.6280 92  59516140411 3 8 3    10 6 5 3      C-13-H3C(O)CH3
   36853.9791  0.0014 -6.4692 3    1.7561 56 -595161404 3 1 2 1     2 2 1 1      C-13-H3C(O)CH3
   36860.5599  0.0034 -8.4025 3   29.6269 92  59516140411 3 8 4    10 6 5 4      C-13-H3C(O)CH3
   36924.6260  0.0099 -7.6244 3   16.8392120  595161404 7 7 1 1     7 6 1 1      C-13-H3C(O)CH3
   36959.8404  0.0014 -6.7812 3    1.8268 28  595161404 3 1 2 4     2 2 1 4      C-13-H3C(O)CH3
   36975.2016  0.0033 -6.2630 3   20.6416 68 -595161404 8 7 2 4     8 6 3 4      C-13-H3C(O)CH3
   37049.0332  0.0065 -5.6967 3   84.1516140 -5951614041711 6 3    1710 7 3      C-13-H3C(O)CH3
   37109.1526  0.0026 -5.5921 3   34.5981184 -59516140411 6 5 2    11 5 6 2      C-13-H3C(O)CH3
   37110.1053  0.0024 -5.5911 3   34.5447184 -59516140411 6 5 0    11 5 6 0      C-13-H3C(O)CH3
   37128.6422  0.0030 -5.6973 3   84.1530140 -5951614041711 6 4    1710 7 4      C-13-H3C(O)CH3
   37133.8940  0.0123 -7.5491 3   16.8382120  595161404 7 7 1 2     7 6 1 2      C-13-H3C(O)CH3
   37145.9030  0.0043 -5.3942 3   84.1232280 -5951614041711 6 1    1710 7 1      C-13-H3C(O)CH3
   37149.0102  0.0024 -5.8937 3   34.6534 92 -59516140411 6 5 3    11 5 6 3      C-13-H3C(O)CH3
   37163.5451  0.0025 -5.5915 3   34.6001184 -59516140411 6 5 1    11 5 6 1      C-13-H3C(O)CH3
   37177.8966  0.0032 -5.8932 3   34.6538 92 -59516140411 6 5 4    11 5 6 4      C-13-H3C(O)CH3
   37217.9159  0.0052 -5.3927 3   84.1150280 -5951614041711 6 2    1710 7 2      C-13-H3C(O)CH3
   37219.4085  0.0013 -6.3232 3    9.2000 52 -595161404 6 2 4 3     6 1 5 3      C-13-H3C(O)CH3
   37224.4299  0.0016 -6.3231 3    9.2000 52 -595161404 6 2 4 4     6 1 5 4      C-13-H3C(O)CH3
   37271.1513  0.0116 -8.3745 3  179.2069204  595161404251610 4    251510 4      C-13-H3C(O)CH3
   37274.1392  0.0023 -5.3909 3   84.0861280 -5951614041711 6 0    1710 7 0      C-13-H3C(O)CH3
   37274.8165  0.0016 -6.0201 3    9.1282104 -595161404 6 2 4 2     6 1 5 2      C-13-H3C(O)CH3
   37283.0441  0.0015 -6.0202 3    9.1288104 -595161404 6 2 4 1     6 1 5 1      C-13-H3C(O)CH3
   37307.5431  0.0009 -7.8175 3    0.5873 40  595161404 2 2 0 2     1 1 0 2      C-13-H3C(O)CH3
   37308.0672  0.0009 -7.7352 3    0.5878 40  595161404 2 2 0 1     1 1 0 1      C-13-H3C(O)CH3
   37334.3282  0.0072 -6.4564 3   43.7439200 -59516140412 9 4 1    12 8 4 1      C-13-H3C(O)CH3
   37335.8916  0.0015 -6.0182 3    9.0571104 -595161404 6 2 4 0     6 1 5 0      C-13-H3C(O)CH3
   37345.7155  0.0009 -7.5233 3    0.6637 20  595161404 2 2 0 4     1 1 0 4      C-13-H3C(O)CH3
   37369.2438  0.0070 -6.7453 3   58.5089232 -5951614041410 5 1    14 9 5 1      C-13-H3C(O)CH3
   37406.4225  0.0084 -8.4872 3  179.2117408  595161404251610 1    251510 1      C-13-H3C(O)CH3
   37463.2958  0.0045 -6.0169 3   31.1985 84 -59516140410 8 2 3    10 7 3 3      C-13-H3C(O)CH3
   37547.5179  0.0035 -6.1190 3   24.9251 76 -595161404 9 7 3 4     9 6 4 4      C-13-H3C(O)CH3
   37568.6703  0.0080 -6.4945 3   43.7408200 -59516140412 9 4 2    12 8 4 2      C-13-H3C(O)CH3
   37613.4230  0.0043 -5.9951 3   20.5946136 -595161404 8 7 2 1     8 6 3 1      C-13-H3C(O)CH3
   37615.6071  0.0075 -6.8267 3   58.5042232  5951614041410 5 2    14 9 5 2      C-13-H3C(O)CH3
   37637.1177  0.0061 -8.2834 3   43.7892100  59516140412 9 4 3    12 8 4 3      C-13-H3C(O)CH3
   37724.6274  0.0054 -5.9991 3   20.5962136 -595161404 8 7 2 2     8 6 3 2      C-13-H3C(O)CH3
   37729.5359  0.0013 -6.1628 3   13.4200 60 -595161404 7 4 4 4     7 3 5 4      C-13-H3C(O)CH3
   37744.5657  0.0011 -6.1624 3   13.4200 60 -595161404 7 4 4 3     7 3 5 3      C-13-H3C(O)CH3
   37809.0394  0.0013 -5.8594 3   13.3523120 -595161404 7 4 4 1     7 3 5 1      C-13-H3C(O)CH3
   37810.8913  0.0014 -5.8592 3   13.3517120 -595161404 7 4 4 2     7 3 5 2      C-13-H3C(O)CH3
   37882.8069  0.0014 -5.8570 3   13.2841120 -595161404 7 4 4 0     7 3 5 0      C-13-H3C(O)CH3
   37892.1086  0.0014 -6.3101 3    9.2009 52 -595161404 6 3 4 4     6 2 5 4      C-13-H3C(O)CH3
   37896.7727  0.0011 -6.3100 3    9.2010 52 -595161404 6 3 4 3     6 2 5 3      C-13-H3C(O)CH3
   37911.5632  0.0043 -5.7008 3   31.0907168 -59516140410 8 2 0    10 7 3 0      C-13-H3C(O)CH3
   37938.0840  0.0011 -6.0587 3   18.2299 68 -595161404 8 5 4 4     8 4 5 4      C-13-H3C(O)CH3
   37964.4060  0.0015 -6.0067 3    9.1291104 -595161404 6 3 4 2     6 2 5 2      C-13-H3C(O)CH3
   37965.1548  0.0014 -6.0069 3    9.1297104 -595161404 6 3 4 1     6 2 5 1      C-13-H3C(O)CH3
   37979.9551  0.0011 -6.0574 3   18.2300 68 -595161404 8 5 4 3     8 4 5 3      C-13-H3C(O)CH3
   38021.5126  0.0012 -6.5779 3    5.5754 44  595161404 5 1 4 3     5 0 5 3      C-13-H3C(O)CH3
   38022.5164  0.0015 -6.5779 3    5.5754 44  595161404 5 1 4 4     5 0 5 4      C-13-H3C(O)CH3
   38035.0638  0.0015 -6.0046 3    9.0580104  595161404 6 3 4 0     6 2 5 0      C-13-H3C(O)CH3
   38040.1821  0.0012 -5.7547 3   18.1661136 -595161404 8 5 4 1     8 4 5 1      C-13-H3C(O)CH3
   38049.4749  0.0013 -5.7543 3   18.1654136  595161404 8 5 4 2     8 4 5 2      C-13-H3C(O)CH3
   38090.2848  0.0016 -6.2746 3    5.5004 88  595161404 5 1 4 2     5 0 5 2      C-13-H3C(O)CH3
   38092.6797  0.0015 -6.2748 3    5.5009 88  595161404 5 1 4 1     5 0 5 1      C-13-H3C(O)CH3
   38107.8565  0.0046 -6.1987 3   20.6577 68  595161404 8 7 2 3     8 6 3 3      C-13-H3C(O)CH3
   38130.6270  0.0013 -5.7520 3   18.1018136  595161404 8 5 4 0     8 4 5 0      C-13-H3C(O)CH3
   38160.8421  0.0016 -6.2725 3    5.4261 88  595161404 5 1 4 0     5 0 5 0      C-13-H3C(O)CH3
   38168.8093  0.0014 -6.5750 3    5.5755 44  595161404 5 2 4 4     5 1 5 4      C-13-H3C(O)CH3
   38170.0347  0.0012 -6.5750 3    5.5755 44  595161404 5 2 4 3     5 1 5 3      C-13-H3C(O)CH3
   38196.0801  0.0105 -6.9293 3   16.8805 60  595161404 7 7 1 3     7 6 1 3      C-13-H3C(O)CH3
   38205.1258  0.0040 -8.1325 3   78.0728296  59516140418 513 0    17 810 0      C-13-H3C(O)CH3
   38214.8286  0.0036 -5.7711 3   24.8711152  595161404 9 7 3 1     9 6 4 1      C-13-H3C(O)CH3
   38221.8272  0.0055 -5.8053 3   31.1480168  59516140410 8 2 1    10 7 3 1      C-13-H3C(O)CH3
   38241.6610  0.0016 -6.2716 3    5.5005 88  595161404 5 2 4 2     5 1 5 2      C-13-H3C(O)CH3
   38242.3051  0.0015 -6.2719 3    5.5010 88  595161404 5 2 4 1     5 1 5 1      C-13-H3C(O)CH3
   38247.8603  0.0056 -5.8034 3   31.1461168  59516140410 8 2 2    10 7 3 2      C-13-H3C(O)CH3
   38269.7240  0.0040 -8.1310 3   78.0706296  59516140418 613 0    17 710 0      C-13-H3C(O)CH3
   38314.4285  0.0016 -6.2695 3    5.4262 88  595161404 5 2 4 0     5 1 5 0      C-13-H3C(O)CH3
   38316.9675  0.0043 -5.7635 3   24.8711152 -595161404 9 7 3 2     9 6 4 2      C-13-H3C(O)CH3
   38330.5092  0.0046 -8.2240 3  149.1890408  59516140425 718 0    241015 0      C-13-H3C(O)CH3
   38330.8663  0.0046 -8.2240 3  149.1890408  59516140425 818 0    24 915 0      C-13-H3C(O)CH3
   38332.6121  0.0045 -8.1349 3   78.1053296  59516140418 513 1    17 810 1      C-13-H3C(O)CH3
   38334.2431  0.0030 -6.4419 3   16.8164 60  595161404 7 7 1 4     7 6 2 4      C-13-H3C(O)CH3
   38355.7448  0.0069 -6.6088 3   16.8805 60  595161404 7 7 0 3     7 6 1 3      C-13-H3C(O)CH3
   38358.1239  0.0044 -8.1315 3   78.1034296  59516140418 513 2    17 810 2      C-13-H3C(O)CH3
   38385.4637  0.0008 -7.6607 3    0.5464 20  595161404 2 2 1 4     1 1 1 4      C-13-H3C(O)CH3
   38394.6361  0.0045 -8.1334 3   78.1032296  59516140418 613 1    17 710 1      C-13-H3C(O)CH3
   38420.9818  0.0047 -7.3133 3   20.6577 68  595161404 8 7 1 3     8 6 3 3      C-13-H3C(O)CH3
   38421.9048  0.0045 -8.1300 3   78.1013296  59516140418 613 2    17 710 2      C-13-H3C(O)CH3
   38425.2287  0.0019 -6.0163 3   24.9291 76 -595161404 9 7 3 3     9 6 4 3      C-13-H3C(O)CH3
   38443.8989  0.0027 -7.3760 3   19.4346136  595161404 8 6 2 2     8 5 4 2      C-13-H3C(O)CH3
   38463.2368  0.0029 -5.8591 3   20.5421136 -595161404 8 7 2 0     8 6 3 0      C-13-H3C(O)CH3
   38464.1240  0.0024 -7.2976 3   19.4350136  595161404 8 6 2 1     8 5 4 1      C-13-H3C(O)CH3
   38471.3588  0.0051 -8.2254 3  149.1957408  59516140425 718 1    241015 1      C-13-H3C(O)CH3
   38471.7032  0.0051 -8.2254 3  149.1957408  59516140425 818 1    24 915 1      C-13-H3C(O)CH3
   38485.6712  0.0054 -8.4349 3   78.1361148  59516140418 513 4    17 810 4      C-13-H3C(O)CH3
   38485.8698  0.0044 -8.4349 3   78.1360148  59516140418 513 3    17 810 3      C-13-H3C(O)CH3
   38494.8479  0.0051 -8.2221 3  149.1937408  59516140425 718 2    241015 2      C-13-H3C(O)CH3
   38495.2092  0.0051 -8.2221 3  149.1937408  59516140425 818 2    24 915 2      C-13-H3C(O)CH3
   38508.3759  0.0009 -7.8711 3    0.4716 40  595161404 2 2 1 1     1 1 1 1      C-13-H3C(O)CH3
   38520.9315  0.0011 -7.9534 3    0.4712 40  595161404 2 2 1 2     1 1 1 2      C-13-H3C(O)CH3
   38546.5678  0.0054 -8.4334 3   78.1340148  59516140418 613 4    17 710 4      C-13-H3C(O)CH3
   38547.3475  0.0044 -8.4335 3   78.1340148  59516140418 613 3    17 710 3      C-13-H3C(O)CH3
   38610.6125  0.0029 -8.1797 3   14.6129120  595161404 7 5 2 2     7 4 4 2      C-13-H3C(O)CH3
   38631.2372  0.0024 -8.0911 3   14.6135120  595161404 7 5 2 1     7 4 4 1      C-13-H3C(O)CH3
   38635.9702  0.0051 -8.5245 3  149.2004204  59516140425 718 3    241015 3      C-13-H3C(O)CH3
   38635.9866  0.0060 -8.5245 3  149.2004204  59516140425 718 4    241015 4      C-13-H3C(O)CH3
   38636.3195  0.0051 -8.5245 3  149.2004204  59516140425 818 3    24 915 3      C-13-H3C(O)CH3
   38636.3331  0.0060 -8.5245 3  149.2004204  59516140425 818 4    24 915 4      C-13-H3C(O)CH3
   38665.4559  0.0035 -6.1313 3   16.7632120 -595161404 7 7 0 0     7 6 1 0      C-13-H3C(O)CH3
   38665.6752  0.0057 -6.0918 3   31.2083 84 -59516140410 8 2 4    10 7 3 4      C-13-H3C(O)CH3
   38673.5990  0.0034 -6.1456 3   16.7808120 -595161404 7 7 1 1     7 6 2 1      C-13-H3C(O)CH3
   38716.2304  0.0024 -5.7084 3   24.8153152 -595161404 9 7 3 0     9 6 4 0      C-13-H3C(O)CH3
   38729.9743  0.0024 -7.8713 3   14.6785 60  595161404 7 5 2 4     7 4 4 4      C-13-H3C(O)CH3
   38734.7252  0.0057 -8.3538 3  242.7759520  59516140432 923 0    311220 0      C-13-H3C(O)CH3
   38734.7266  0.0057 -8.3538 3  242.7759520  595161404321023 0    311120 0      C-13-H3C(O)CH3
   38738.4630  0.0036 -6.1473 3   16.7847120 -595161404 7 7 1 2     7 6 2 2      C-13-H3C(O)CH3
   38763.2687  0.0029 -7.1715 3   19.4953 68  595161404 8 6 2 4     8 5 4 4      C-13-H3C(O)CH3
   38804.7919  0.0012 -5.9742 3   23.6308 76 -595161404 9 6 4 4     9 5 5 4      C-13-H3C(O)CH3
   38837.7351  0.0065 -8.3553 3  242.7615520  59516140432 923 1    311220 1      C-13-H3C(O)CH3
   38837.7366  0.0065 -8.3553 3  242.7615520  595161404321023 1    311120 1      C-13-H3C(O)CH3
   38856.8650  0.0065 -8.3522 3  242.7597520  59516140432 923 2    311220 2      C-13-H3C(O)CH3
   38856.8666  0.0065 -8.3522 3  242.7597520  595161404321023 2    311120 2      C-13-H3C(O)CH3
   38866.0991  0.0033 -6.1429 3   16.8392120 -595161404 7 7 0 1     7 6 1 1      C-13-H3C(O)CH3
   38878.6676  0.0074 -6.5984 3   16.8577 60 -595161404 7 7 1 3     7 6 2 3      C-13-H3C(O)CH3
   38903.0888  0.0035 -6.4329 3   16.9218 60 -595161404 7 7 0 4     7 6 1 4      C-13-H3C(O)CH3
   38913.0978  0.0012 -5.9698 3   23.6311 76 -595161404 9 6 4 3     9 5 5 3      C-13-H3C(O)CH3
   38917.5649  0.0034 -6.1449 3   16.8382120 -595161404 7 7 0 2     7 6 1 2      C-13-H3C(O)CH3
   38963.9655  0.0013 -5.6679 3   23.5714152 -595161404 9 6 4 1     9 5 5 1      C-13-H3C(O)CH3
   38987.9290  0.0015 -5.6672 3   23.5706152 -595161404 9 6 4 2     9 5 5 2      C-13-H3C(O)CH3
   39038.2697  0.0099 -6.9123 3   16.8577 60 -595161404 7 7 0 3     7 6 2 3      C-13-H3C(O)CH3
   39093.5571  0.0014 -5.6641 3   23.5113152 -595161404 9 6 4 0     9 5 5 0      C-13-H3C(O)CH3
   39147.2856  0.0053 -8.5518 3   16.8392136  595161404 8 3 5 1     7 6 1 1      C-13-H3C(O)CH3
   39195.3232  0.0096 -7.4537 3   26.2991 76  595161404 9 8 2 4     9 7 2 4      C-13-H3C(O)CH3
   39206.1276  0.0049 -5.8638 3   43.7892100 -59516140412 9 3 3    12 8 4 3      C-13-H3C(O)CH3
   39292.2914  0.0032 -6.1188 3   16.7417120 -595161404 7 7 1 0     7 6 2 0      C-13-H3C(O)CH3
   39368.8567  0.0085 -8.5293 3  358.7706632  595161404391128 2    381325 2      C-13-H3C(O)CH3
   39368.8567  0.0085 -8.5293 3  358.7706632  595161404391228 2    381425 2      C-13-H3C(O)CH3
   39425.1392  0.0071 -6.4403 3   20.5962136 -595161404 8 7 1 2     8 6 3 2      C-13-H3C(O)CH3
   39483.9424  0.0066 -6.4574 3   20.5946136 -595161404 8 7 1 1     8 6 3 1      C-13-H3C(O)CH3
   39703.8597  0.0046 -5.5522 3   43.6927200 -59516140412 9 3 0    12 8 4 0      C-13-H3C(O)CH3
   39812.7646  0.0056 -5.6144 3   43.7439200 -59516140412 9 3 1    12 8 4 1      C-13-H3C(O)CH3
   39861.1407  0.0056 -5.6075 3   43.7408200 -59516140412 9 3 2    12 8 4 2      C-13-H3C(O)CH3
   40122.2129  0.0041 -7.9969 3   16.7417136  595161404 8 3 5 0     7 6 2 0      C-13-H3C(O)CH3
   40164.2211  0.0084 -5.6150 3  104.2522156 -5951614041912 7 3    1911 8 3      C-13-H3C(O)CH3
   40188.2433  0.0023 -5.6152 3  104.2533156 -5951614041912 7 4    1911 8 4      C-13-H3C(O)CH3
   40205.9945  0.0053 -5.3130 3  104.2325312 -5951614041912 7 1    1911 8 1      C-13-H3C(O)CH3
   40230.0287  0.0016 -5.3248 3   93.1674296 -5951614041811 7 0    1810 8 0      C-13-H3C(O)CH3
   40237.6128  0.0054 -5.3254 3   93.1915296 -5951614041811 7 2    1810 8 2      C-13-H3C(O)CH3
   40237.9737  0.0067 -5.9367 3   43.7951100 -59516140412 9 3 4    12 8 4 4      C-13-H3C(O)CH3
   40240.1613  0.0035 -8.2149 3   15.3584 68  595161404 8 3 6 4     7 4 3 4      C-13-H3C(O)CH3
   40248.3564  0.0030 -7.9096 3   15.2917136  595161404 8 3 6 1     7 4 3 1      C-13-H3C(O)CH3
   40252.7413  0.0063 -5.3120 3  104.2231312 -5951614041912 7 2    1911 8 2      C-13-H3C(O)CH3
   40263.8063  0.0046 -5.3254 3   93.1992296 -5951614041811 7 1    1810 8 1      C-13-H3C(O)CH3
   40269.9883  0.0071 -5.6269 3   93.2228148 -5951614041811 7 3    1810 8 3      C-13-H3C(O)CH3
   40275.3714  0.0027 -5.6269 3   93.2239148 -5951614041811 7 4    1810 8 4      C-13-H3C(O)CH3
   40278.8725  0.0028 -7.9014 3   15.2238136  595161404 8 3 6 0     7 4 3 0      C-13-H3C(O)CH3
   40279.8640  0.0027 -8.2143 3   15.3571 68  595161404 8 3 6 3     7 4 3 3      C-13-H3C(O)CH3
   40282.6301  0.0018 -5.3110 3  104.2030312 -5951614041912 7 0    1911 8 0      C-13-H3C(O)CH3
   40291.1920  0.0030 -7.9053 3   15.2897136  595161404 8 3 6 2     7 4 3 2      C-13-H3C(O)CH3
   40425.1923  0.0048 -5.7559 3   58.5479116 -5951614041410 4 3    14 9 5 3      C-13-H3C(O)CH3
   40463.1787  0.0028 -5.4207 3   56.0707232 -59516140414 8 6 0    14 7 7 0      C-13-H3C(O)CH3
   40480.3243  0.0027 -5.4213 3   56.1118232 -59516140414 8 6 2    14 7 7 2      C-13-H3C(O)CH3
   40510.2092  0.0037 -8.2965 3   16.8577 68  595161404 8 3 5 3     7 6 2 3      C-13-H3C(O)CH3
   40522.1570  0.0108 -7.4827 3   16.7847120  595161404 7 7 0 2     7 6 2 2      C-13-H3C(O)CH3
   40524.7181  0.0073 -6.9236 3   20.6416 68  595161404 8 7 1 4     8 6 3 4      C-13-H3C(O)CH3
   40536.0413  0.0018 -5.9043 3   29.6269 84 -59516140410 7 4 4    10 6 5 4      C-13-H3C(O)CH3
   40540.5741  0.0039 -6.6597 3   24.8711152  595161404 9 7 2 2     9 6 4 2      C-13-H3C(O)CH3
   40551.4503  0.0027 -5.4206 3   56.1153232 -59516140414 8 6 1    14 7 7 1      C-13-H3C(O)CH3
   40557.2186  0.0026 -5.7223 3   56.1563116 -59516140414 8 6 3    14 7 7 3      C-13-H3C(O)CH3
   40575.4612  0.0038 -6.6121 3   24.8711152 -595161404 9 7 2 1     9 6 4 1      C-13-H3C(O)CH3
   40582.7436  0.0038 -5.7220 3   56.1569116 -59516140414 8 6 4    14 7 7 4      C-13-H3C(O)CH3
   40615.0324  0.0095 -7.5518 3   16.7808120  595161404 7 7 0 1     7 6 2 1      C-13-H3C(O)CH3
   40705.3672  0.0013 -6.6577 3    0.5472 20  595161404 2 2 0 3     1 1 1 3      C-13-H3C(O)CH3
   40750.0356  0.0069 -8.1265 3   16.7847136  595161404 8 3 5 2     7 6 2 2      C-13-H3C(O)CH3
   40787.0274  0.0013 -6.3654 3    0.4712 40 -595161404 2 2 0 2     1 1 1 2      C-13-H3C(O)CH3
   40791.6347  0.0010 -6.3522 3    0.3962 40 -595161404 2 2 0 0     1 1 1 0      C-13-H3C(O)CH3
   40791.6347  0.0012 -6.3683 3    0.4716 40 -595161404 2 2 0 1     1 1 1 1      C-13-H3C(O)CH3
   40805.0223  0.0014 -5.8879 3   29.6280 84 -59516140410 7 4 3    10 6 5 3      C-13-H3C(O)CH3
   40824.4507  0.0018 -5.5897 3   29.5726168 -59516140410 7 4 1    10 6 5 1      C-13-H3C(O)CH3
   40862.1041  0.0053 -5.4727 3   58.5089232 -5951614041410 4 1    14 9 5 1      C-13-H3C(O)CH3
   40862.6386  0.0013 -6.7039 3    0.5464 20  595161404 2 2 0 4     1 1 1 4      C-13-H3C(O)CH3
   40873.3546  0.0021 -5.5881 3   29.5718168 -59516140410 7 4 2    10 6 5 2      C-13-H3C(O)CH3
   40879.3347  0.0026 -5.5915 3   28.0418168 -59516140410 5 5 2    10 4 6 2      C-13-H3C(O)CH3
   40884.8733  0.0024 -5.8935 3   28.1008 84 -59516140410 5 5 3    10 4 6 3      C-13-H3C(O)CH3
   40896.2292  0.0056 -8.1311 3   16.7808136  595161404 8 3 5 1     7 6 2 1      C-13-H3C(O)CH3
   40903.9200  0.0113 -7.7601 3  152.5075188  5951614042315 9 4    2314 9 4      C-13-H3C(O)CH3
   40904.5599  0.0021 -5.5903 3   27.9841168 -59516140410 5 5 0    10 4 6 0      C-13-H3C(O)CH3
   40907.4394  0.0028 -5.8931 3   28.1009 84 -59516140410 5 5 4    10 4 6 4      C-13-H3C(O)CH3
   40920.9671  0.0024 -5.5911 3   28.0430168 -59516140410 5 5 1    10 4 6 1      C-13-H3C(O)CH3
   40938.1011  0.0046 -5.4457 3   58.4636232 -5951614041410 4 0    14 9 5 0      C-13-H3C(O)CH3
   40941.4906  0.0092 -6.7176 3   26.2246152  595161404 9 8 2 1     9 7 2 1      C-13-H3C(O)CH3
   40945.2167  0.0051 -5.4669 3   58.5042232 -5951614041410 4 2    14 9 5 2      C-13-H3C(O)CH3
   41033.2347  0.0017 -5.5818 3   29.5172168 -59516140410 7 4 0    10 6 5 0      C-13-H3C(O)CH3
   41148.4066  0.0071 -5.7991 3   58.5514116 -5951614041410 4 4    14 9 5 4      C-13-H3C(O)CH3
   41148.8341  0.0081 -7.9047 3  152.5042376  5951614042315 9 1    2314 9 1      C-13-H3C(O)CH3
   41171.9233  0.0111 -6.6604 3   26.2234152 -595161404 9 8 2 2     9 7 2 2      C-13-H3C(O)CH3
   41190.7450  0.0047 -6.7035 3   24.9251 76 -595161404 9 7 2 4     9 6 4 4      C-13-H3C(O)CH3
   41397.7466  0.0041 -5.6757 3   75.4745132 -5951614041611 5 3    1610 6 3      C-13-H3C(O)CH3
   41500.1533  0.0076 -8.1946 3  152.4921376  5951614042315 9 2    2314 9 2      C-13-H3C(O)CH3
   41624.8071  0.0026 -7.8908 3   24.8153168  59516140410 3 7 0     9 6 4 0      C-13-H3C(O)CH3
   41671.8077  0.0042 -7.9684 3   29.4080184  59516140411 4 8 1    10 5 5 1      C-13-H3C(O)CH3
   41679.8265  0.0037 -7.9621 3   29.3486184  59516140411 4 8 0    10 5 5 0      C-13-H3C(O)CH3
   41701.0660  0.0046 -5.3781 3   75.4427264 -5951614041611 5 1    1610 6 1      C-13-H3C(O)CH3
   41707.1918  0.0048 -8.2718 3   29.4654 92  59516140411 4 8 4    10 5 5 4      C-13-H3C(O)CH3
   41728.9556  0.0044 -7.9643 3   29.4054184  59516140411 4 8 2    10 5 5 2      C-13-H3C(O)CH3
   41733.8137  0.0041 -8.2716 3   29.4645 92  59516140411 4 8 3    10 5 5 3      C-13-H3C(O)CH3
   41754.8899  0.0048 -8.4548 3   16.8164 68  595161404 8 3 5 4     7 6 2 4      C-13-H3C(O)CH3
   41755.6781  0.0028 -7.8914 3   24.8711168  59516140410 3 7 2     9 6 4 2      C-13-H3C(O)CH3
   41778.3614  0.0028 -7.8933 3   24.8711168  59516140410 3 7 1     9 6 4 1      C-13-H3C(O)CH3
   41803.3950  0.0041 -6.0364 3   30.9791 84 -59516140410 8 3 4    10 7 4 4      C-13-H3C(O)CH3
   41813.8968  0.0044 -5.3744 3   75.4361264 -5951614041611 5 2    1610 6 2      C-13-H3C(O)CH3
   41822.4886  0.0065 -5.6927 3   75.4765132 -5951614041611 5 4    1610 6 4      C-13-H3C(O)CH3
   41848.4146  0.0025 -8.1948 3   24.9291 84  59516140410 3 7 3     9 6 4 3      C-13-H3C(O)CH3
   41883.6202  0.0044 -5.3667 3   75.4035264 -5951614041611 5 0    1610 6 0      C-13-H3C(O)CH3
   41968.7161  0.0026 -8.1950 3   24.9251 84  59516140410 3 7 4     9 6 4 4      C-13-H3C(O)CH3
   42010.9773  0.0035 -7.9662 3   47.8144232  59516140414 410 0    13 7 7 0      C-13-H3C(O)CH3
   42050.5330  0.0088 -6.7426 3   26.2659 76 -595161404 9 8 2 3     9 7 2 3      C-13-H3C(O)CH3
   42065.2870  0.0094 -8.3430 3   16.8164 60  595161404 7 7 0 4     7 6 2 4      C-13-H3C(O)CH3
   42108.5231  0.0039 -7.9696 3   47.8609232  59516140414 410 1    13 7 7 1      C-13-H3C(O)CH3
   42114.3316  0.0019 -8.2003 3    2.3996 28  595161404 3 3 0 3     3 0 3 3      C-13-H3C(O)CH3
   42128.8086  0.0038 -7.9665 3   47.8593232  59516140414 410 2    13 7 7 2      C-13-H3C(O)CH3
   42199.3038  0.0041 -8.0543 3  106.2682344  59516140421 615 0    20 912 0      C-13-H3C(O)CH3
   42210.2595  0.0042 -8.0541 3  106.2679344  59516140421 715 0    20 812 0      C-13-H3C(O)CH3
   42223.8260  0.0037 -8.2711 3   47.9060116  59516140414 410 3    13 7 7 3      C-13-H3C(O)CH3
   42228.9450  0.0045 -8.2709 3   47.9059116  59516140414 410 4    13 7 7 4      C-13-H3C(O)CH3
   42257.2434  0.0068 -6.1860 3   26.2659 76 -595161404 9 8 1 3     9 7 2 3      C-13-H3C(O)CH3
   42330.4454  0.0047 -8.0566 3  106.2891344  59516140421 615 1    20 912 1      C-13-H3C(O)CH3
   42330.8915  0.0022 -7.8889 3    2.2492 56  595161404 3 3 0 0     3 0 3 0      C-13-H3C(O)CH3
   42340.9584  0.0047 -8.0564 3  106.2887344  59516140421 715 1    20 812 1      C-13-H3C(O)CH3
   42356.7926  0.0046 -8.0532 3  106.2871344  59516140421 615 2    20 912 2      C-13-H3C(O)CH3
   42363.1954  0.0028 -7.9380 3    2.3240 56  595161404 3 3 0 2     3 0 3 2      C-13-H3C(O)CH3
   42367.6812  0.0046 -8.0530 3  106.2867344  59516140421 715 2    20 812 2      C-13-H3C(O)CH3
   42369.5428  0.0027 -7.9465 3    2.3246 56  595161404 3 3 0 1     3 0 3 1      C-13-H3C(O)CH3
   42410.4160  0.0050 -8.1693 3  187.2199456  59516140428 820 0    271117 0      C-13-H3C(O)CH3
   42410.4701  0.0050 -8.1693 3  187.2199456  59516140428 920 0    271017 0      C-13-H3C(O)CH3
   42437.9619  0.0039 -5.6130 3   94.5661148 -5951614041812 6 3    1811 7 3      C-13-H3C(O)CH3
   42488.0327  0.0056 -8.3565 3  106.3080172  59516140421 615 4    20 912 4      C-13-H3C(O)CH3
   42488.2328  0.0047 -8.3565 3  106.3080172  59516140421 615 3    20 912 3      C-13-H3C(O)CH3
   42498.4263  0.0057 -8.3563 3  106.3077172  59516140421 715 4    20 812 4      C-13-H3C(O)CH3
   42498.7146  0.0047 -8.3563 3  106.3077172  59516140421 715 3    20 812 3      C-13-H3C(O)CH3
   42506.2606  0.0100 -6.8272 3   37.8229 92 -59516140411 9 3 4    11 8 3 4      C-13-H3C(O)CH3
   42533.7812  0.0056 -8.1711 3  187.2163456  59516140428 820 1    271117 1      C-13-H3C(O)CH3
   42533.8339  0.0056 -8.1711 3  187.2163456  59516140428 920 1    271017 1      C-13-H3C(O)CH3
   42556.4107  0.0056 -8.1679 3  187.2143456  59516140428 820 2    271117 2      C-13-H3C(O)CH3
   42556.4664  0.0056 -8.1679 3  187.2143456  59516140428 920 2    271017 2      C-13-H3C(O)CH3
   42571.4138  0.0045 -5.7292 3   30.9344168 -59516140410 8 3 1    10 7 4 1      C-13-H3C(O)CH3
   42572.8686  0.0027 -8.3147 3    2.3996 28  595161404 3 3 0 4     3 0 3 4      C-13-H3C(O)CH3
   42636.5461  0.0038 -5.7713 3   26.1598152 -595161404 9 8 1 0     9 7 2 0      C-13-H3C(O)CH3
   42639.9512  0.0040 -5.3114 3   94.5422296 -5951614041812 6 1    1811 7 1      C-13-H3C(O)CH3
   42655.1205  0.0054 -5.6180 3   94.5674148 -5951614041812 6 4    1811 7 4      C-13-H3C(O)CH3
   42679.9955  0.0054 -8.4706 3  187.2107228  59516140428 820 3    271117 3      C-13-H3C(O)CH3
   42680.0499  0.0054 -8.4706 3  187.2107228  59516140428 920 3    271017 3      C-13-H3C(O)CH3
   42680.1193  0.0062 -8.4706 3  187.2108228  59516140428 820 4    271117 4      C-13-H3C(O)CH3
   42680.1732  0.0062 -8.4706 3  187.2108228  59516140428 920 4    271017 4      C-13-H3C(O)CH3
   42704.7961  0.0055 -5.7254 3   30.9352168 -59516140410 8 3 2    10 7 4 2      C-13-H3C(O)CH3
   42706.5703  0.0006 -6.0072 3    2.4031 36 -595161404 4 0 4 3     3 1 3 3      C-13-H3C(O)CH3
   42707.5992  0.0006 -6.0072 3    2.4031 36 -595161404 4 0 4 4     3 1 3 4      C-13-H3C(O)CH3
   42713.6700  0.0007 -5.7060 3    2.3276 72 -595161404 4 0 4 2     3 1 3 2      C-13-H3C(O)CH3
   42714.1789  0.0008 -5.7059 3    2.3281 72 -595161404 4 0 4 1     3 1 3 1      C-13-H3C(O)CH3
   42720.7630  0.0007 -5.7058 3    2.2528 72 -595161404 4 0 4 0     3 1 3 0      C-13-H3C(O)CH3
   42766.3836  0.0039 -5.3088 3   94.5337296 -5951614041812 6 2    1811 7 2      C-13-H3C(O)CH3
   42830.1554  0.0006 -6.0040 3    2.3996 36 -595161404 4 1 4 4     3 0 3 4      C-13-H3C(O)CH3
   42831.0431  0.0006 -6.0040 3    2.3996 36 -595161404 4 1 4 3     3 0 3 3      C-13-H3C(O)CH3
   42838.6790  0.0034 -6.0885 3   26.1776 76 -595161404 9 8 2 4     9 7 3 4      C-13-H3C(O)CH3
   42839.3285  0.0008 -5.7027 3    2.3246 72 -595161404 4 1 4 1     3 0 3 1      C-13-H3C(O)CH3
   42840.0052  0.0007 -5.7027 3    2.3240 72 -595161404 4 1 4 2     3 0 3 2      C-13-H3C(O)CH3
   42848.7147  0.0007 -5.7024 3    2.2492 72 -595161404 4 1 4 0     3 0 3 0      C-13-H3C(O)CH3
   42854.1209  0.0040 -5.3053 3   94.5094296 -5951614041812 6 0    1811 7 0      C-13-H3C(O)CH3
   42875.8981  0.0062 -8.3246 3  290.6267568  595161404351025 0    341322 0      C-13-H3C(O)CH3
   42875.8983  0.0062 -8.3246 3  290.6267568  595161404351125 0    341222 0      C-13-H3C(O)CH3
   42946.2972  0.0073 -8.3267 3  290.6058568  595161404351025 1    341322 1      C-13-H3C(O)CH3
   42946.2974  0.0073 -8.3267 3  290.6058568  595161404351125 1    341222 1      C-13-H3C(O)CH3
   42963.5467  0.0073 -8.3237 3  290.6040568  595161404351025 2    341322 2      C-13-H3C(O)CH3
   42963.5469  0.0073 -8.3237 3  290.6040568  595161404351125 2    341222 2      C-13-H3C(O)CH3
   42994.7993  0.0041 -5.8211 3   26.2246152 -595161404 9 8 1 1     9 7 2 1      C-13-H3C(O)CH3
   43002.6140  0.0029 -5.9198 3   30.9891 84 -59516140410 8 3 3    10 7 4 3      C-13-H3C(O)CH3
   43024.2327  0.0110 -8.3821 3   21.9117136  595161404 8 8 1 1     8 7 1 1      C-13-H3C(O)CH3
   43043.4849  0.0042 -5.8284 3   26.2234152 -595161404 9 8 1 2     9 7 2 2      C-13-H3C(O)CH3
   43123.3329  0.0043 -6.0855 3   26.2991 76 -595161404 9 8 1 4     9 7 2 4      C-13-H3C(O)CH3
   43153.0053  0.0038 -7.7461 3    6.4095 44  595161404 5 3 3 4     4 4 0 4      C-13-H3C(O)CH3
   43187.1775  0.0033 -5.8611 3   36.2271 92 -59516140411 8 4 4    11 7 5 4      C-13-H3C(O)CH3
   43252.6386  0.0134 -8.3028 3   21.9112136  595161404 8 8 1 2     8 7 1 2      C-13-H3C(O)CH3
   43294.2133  0.0029 -7.8145 3   20.5421152  595161404 9 3 6 0     8 6 3 0      C-13-H3C(O)CH3
   43302.1551  0.0039 -5.8147 3   26.1458152 -595161404 9 8 2 1     9 7 3 1      C-13-H3C(O)CH3
   43337.1020  0.0038 -7.9368 3   47.7702232  59516140414 510 0    13 6 7 0      C-13-H3C(O)CH3
   43363.7661  0.0029 -5.6059 3   30.8859168 -59516140410 8 3 0    10 7 4 0      C-13-H3C(O)CH3
   43367.7574  0.0027 -5.3030 3   82.6395280 -5951614041710 7 0    17 9 8 0      C-13-H3C(O)CH3
   43375.0614  0.0064 -8.4776 3   61.7063248  59516140415 8 8 0    1411 3 0      C-13-H3C(O)CH3
   43392.4399  0.0042 -7.9412 3   47.8181232  59516140414 510 1    13 6 7 1      C-13-H3C(O)CH3
   43393.8261  0.0032 -5.3033 3   82.6675280 -5951614041710 7 2    17 9 8 2      C-13-H3C(O)CH3
   43395.5036  0.0044 -5.8211 3   26.1492152 -595161404 9 8 2 2     9 7 3 2      C-13-H3C(O)CH3
   43435.2689  0.0042 -7.9376 3   47.8158232  59516140414 510 2    13 6 7 2      C-13-H3C(O)CH3
   43470.2399  0.0031 -5.3027 3   82.6732280 -5951614041710 7 1    17 9 8 1      C-13-H3C(O)CH3
   43486.3814  0.0050 -8.2431 3   47.8640116  59516140414 510 4    13 6 7 4      C-13-H3C(O)CH3
   43490.4835  0.0036 -5.6041 3   82.7010140 -5951614041710 7 3    17 9 8 3      C-13-H3C(O)CH3
   43494.7130  0.0040 -8.2431 3   47.8637116  59516140414 510 3    13 6 7 3      C-13-H3C(O)CH3
   43505.5970  0.0039 -5.6039 3   82.7018140 -5951614041710 7 4    17 9 8 4      C-13-H3C(O)CH3
   43533.9598  0.0036 -7.8240 3   20.5962152  595161404 9 3 6 2     8 6 3 2      C-13-H3C(O)CH3
   43576.4781  0.0026 -8.1154 3   20.6577 76  595161404 9 3 6 3     8 6 3 3      C-13-H3C(O)CH3
   43605.3688  0.0033 -7.8264 3   20.5946152  595161404 9 3 6 1     8 6 3 1      C-13-H3C(O)CH3
   43608.0361  0.0018 -5.9248 3   22.1113 76 -595161404 9 4 5 3     9 3 6 3      C-13-H3C(O)CH3
   43620.0144  0.0022 -5.9245 3   22.1113 76 -595161404 9 4 5 4     9 3 6 4      C-13-H3C(O)CH3
   43640.4221  0.0039 -7.3558 3    6.3236 88  595161404 5 3 3 1     4 4 0 1      C-13-H3C(O)CH3
   43640.8601  0.0020 -5.6222 3   22.0483152 -595161404 9 4 5 2     9 3 6 2      C-13-H3C(O)CH3
   43657.9408  0.0043 -7.3432 3    6.3227 88  595161404 5 3 3 2     4 4 0 2      C-13-H3C(O)CH3
   43664.8534  0.0019 -5.6221 3   22.0491152 -595161404 9 4 5 1     9 3 6 1      C-13-H3C(O)CH3
   43691.7951  0.0017 -5.6207 3   21.9863152 -595161404 9 4 5 0     9 3 6 0      C-13-H3C(O)CH3
   43700.9773  0.0071 -6.1601 3   26.2109 76 -595161404 9 8 2 3     9 7 3 3      C-13-H3C(O)CH3
   43714.5732  0.0028 -5.5250 3   36.1788184 -59516140411 8 4 1    11 7 5 1      C-13-H3C(O)CH3
   43740.7517  0.0027 -7.7255 3   30.9891 84  59516140410 8 2 3    10 7 4 3      C-13-H3C(O)CH3
   43789.7293  0.0017 -5.8070 3   36.2296 92 -59516140411 8 4 3    11 7 5 3      C-13-H3C(O)CH3
   43803.4632  0.0032 -5.5205 3   36.1783184 -59516140411 8 4 2    11 7 5 2      C-13-H3C(O)CH3
   43810.5417  0.0112 -7.2141 3  127.9675172  5951614042114 8 4    2113 8 4      C-13-H3C(O)CH3
   43860.4350  0.0056 -5.5609 3  115.8175164 -5951614042013 7 3    2012 8 3      C-13-H3C(O)CH3
   43907.7078  0.0079 -6.7092 3   26.2109 76 -595161404 9 8 1 3     9 7 3 3      C-13-H3C(O)CH3
   43954.2489  0.0043 -5.5621 3  115.8185164 -5951614042013 7 4    2012 8 4      C-13-H3C(O)CH3
   43971.0896  0.0019 -7.1634 3    6.2425 88  595161404 5 3 3 0     4 4 0 0      C-13-H3C(O)CH3
   43980.3894  0.0042 -5.2587 3  115.8021328 -5951614042013 7 1    2012 8 1      C-13-H3C(O)CH3
   44063.0244  0.0031 -8.1467 3   20.6416 76  595161404 9 3 6 4     8 6 3 4      C-13-H3C(O)CH3
   44079.2858  0.0021 -5.5004 3   36.1289184 -59516140411 8 4 0    11 7 5 0      C-13-H3C(O)CH3
   44094.1607  0.0021 -7.4707 3    6.3788 44  595161404 5 3 3 3     4 4 0 3      C-13-H3C(O)CH3
   44101.8653  0.0045 -5.2567 3  115.7917328 -5951614042013 7 2    2012 8 2      C-13-H3C(O)CH3
   44109.7354  0.0085 -6.2688 3   37.7604184 -59516140411 9 3 1    11 8 3 1      C-13-H3C(O)CH3
   44136.5833  0.0033 -5.7446 3   26.1067152 -595161404 9 8 2 0     9 7 3 0      C-13-H3C(O)CH3
   44172.8857  0.0035 -5.2549 3  115.7760328 -5951614042013 7 0    2012 8 0      C-13-H3C(O)CH3
   44208.2924  0.0081 -7.3586 3  127.9559344  5951614042114 8 1    2113 8 1      C-13-H3C(O)CH3
   44226.5227  0.0021 -5.5384 3  126.4923172 -5951614042113 8 4    2112 9 4      C-13-H3C(O)CH3
   44229.5723  0.0057 -5.2369 3  126.4806344 -5951614042113 8 1    2112 9 1      C-13-H3C(O)CH3
   44229.5723  0.0093 -5.5383 3  126.4913172 -5951614042113 8 3    2112 9 3      C-13-H3C(O)CH3
   44239.2742  0.0065 -5.2364 3  126.4702344 -5951614042113 8 2    2112 9 2      C-13-H3C(O)CH3
   44241.4335  0.0018 -5.2359 3  126.4591344 -5951614042113 8 0    2112 9 0      C-13-H3C(O)CH3
   44359.3353  0.0098 -6.2366 3   37.7588184 -59516140411 9 3 2    11 8 3 2      C-13-H3C(O)CH3
   44543.8577  0.0077 -7.5701 3  127.9458344  5951614042114 8 2    2113 8 2      C-13-H3C(O)CH3
   44569.9704  0.0058 -6.2424 3   30.9352168 -59516140410 8 2 2    10 7 4 2      C-13-H3C(O)CH3
   44573.6453  0.0035 -6.3159 3   21.8749 68 -595161404 8 8 1 4     8 7 2 4      C-13-H3C(O)CH3
   44615.8197  0.0006 -6.2742 3    1.6517 28 -595161404 3 2 2 4     2 1 1 4      C-13-H3C(O)CH3
   44617.6887  0.0136 -6.9969 3   21.9393 68  595161404 8 8 1 3     8 7 1 3      C-13-H3C(O)CH3
   44624.5458  0.0056 -6.2355 3   30.9344168 -59516140410 8 2 1    10 7 4 1      C-13-H3C(O)CH3
   44655.2107  0.0008 -6.2710 3    1.6512 28 -595161404 3 2 2 3     2 1 1 3      C-13-H3C(O)CH3
   44684.1889  0.0009 -5.9699 3    1.5766 56 -595161404 3 2 2 1     2 1 1 1      C-13-H3C(O)CH3
   44695.2465  0.0010 -5.9695 3    1.5759 56 -595161404 3 2 2 2     2 1 1 2      C-13-H3C(O)CH3
   44743.6310  0.0010 -5.9679 3    1.5012 56 -595161404 3 2 2 0     2 1 1 0      C-13-H3C(O)CH3
   44780.1161  0.0054 -6.4143 3   21.9393 68 -595161404 8 8 0 3     8 7 1 3      C-13-H3C(O)CH3
   44831.1766  0.0048 -7.6313 3    6.2835 88  595161404 5 3 3 2     4 4 1 2      C-13-H3C(O)CH3
   44894.7977  0.0037 -6.0114 3   21.8493136 -595161404 8 8 1 1     8 7 2 1      C-13-H3C(O)CH3
   44905.7364  0.0106 -6.4914 3   51.5078108 -5951614041310 4 4    13 9 4 4      C-13-H3C(O)CH3
   44915.9760  0.0038 -7.6071 3    6.2811 88  595161404 5 3 3 1     4 4 1 1      C-13-H3C(O)CH3
   44930.8404  0.0060 -6.4117 3   21.9289 68 -595161404 8 8 1 3     8 7 2 3      C-13-H3C(O)CH3
   44953.0888  0.0036 -6.0110 3   21.8545136 -595161404 8 8 1 2     8 7 2 2      C-13-H3C(O)CH3
   45009.7420  0.0068 -6.9720 3   37.8004 92  59516140411 9 3 3    11 8 3 3      C-13-H3C(O)CH3
   45028.2236  0.0032 -5.3950 3   47.8158216 -59516140413 7 6 2    13 6 7 2      C-13-H3C(O)CH3
   45029.1969  0.0028 -5.3943 3   47.7702216 -59516140413 7 6 0    13 6 7 0      C-13-H3C(O)CH3
   45082.1712  0.0029 -5.6963 3   47.8637108 -59516140413 7 6 3    13 6 7 3      C-13-H3C(O)CH3
   45093.2772  0.0130 -6.9884 3   21.9289 68  595161404 8 8 0 3     8 7 2 3      C-13-H3C(O)CH3
   45095.8873  0.0030 -5.3943 3   47.8181216 -59516140413 7 6 1    13 6 7 1      C-13-H3C(O)CH3
   45109.3632  0.0037 -5.6959 3   47.8640108 -59516140413 7 6 4    13 6 7 4      C-13-H3C(O)CH3
   45136.9569  0.0037 -6.0062 3   21.8336136 -595161404 8 8 0 0     8 7 1 0      C-13-H3C(O)CH3
   45140.2776  0.0040 -6.3082 3   21.9933 68 -595161404 8 8 0 4     8 7 1 4      C-13-H3C(O)CH3
   45160.1673  0.0036 -6.0079 3   21.9117136 -595161404 8 8 0 1     8 7 1 1      C-13-H3C(O)CH3
   45171.7698  0.0041 -8.3959 3   68.9464264  59516140416 8 9 0    1511 4 0      C-13-H3C(O)CH3
   45226.8532  0.0037 -6.0074 3   21.9112136 -595161404 8 8 0 2     8 7 1 2      C-13-H3C(O)CH3
   45227.6275  0.0014 -5.8230 3   28.1183 84 -59516140410 6 5 4    10 5 6 4      C-13-H3C(O)CH3
   45248.2284  0.0015 -6.0004 3   16.6997 68 -595161404 8 3 5 3     8 2 6 3      C-13-H3C(O)CH3
   45252.8287  0.0019 -6.0004 3   16.6997 68 -595161404 8 3 5 4     8 2 6 4      C-13-H3C(O)CH3
   45256.2234  0.0012 -5.8223 3   28.1184 84 -59516140410 6 5 3    10 5 6 3      C-13-H3C(O)CH3
   45267.0864  0.0093 -6.5885 3   26.1492152 -595161404 9 8 1 2     9 7 3 2      C-13-H3C(O)CH3
   45308.7454  0.0018 -5.6975 3   16.6326136 -595161404 8 3 5 2     8 2 6 2      C-13-H3C(O)CH3
   45320.1140  0.0017 -5.6975 3   16.6333136 -595161404 8 3 5 1     8 2 6 1      C-13-H3C(O)CH3
   45322.9435  0.0013 -5.5197 3   28.0608168 -59516140410 6 5 1    10 5 6 1      C-13-H3C(O)CH3
   45327.7553  0.0014 -5.5193 3   28.0599168 -59516140410 6 5 2    10 5 6 2      C-13-H3C(O)CH3
   45355.4149  0.0086 -6.6399 3   26.1458152 -595161404 9 8 1 1     9 7 3 1      C-13-H3C(O)CH3
   45365.8340  0.0055 -5.9017 3   37.8004 92 -59516140411 9 2 3    11 8 3 3      C-13-H3C(O)CH3
   45375.9626  0.0118 -8.0996 3   32.4981 84  59516140410 9 2 4    10 8 2 4      C-13-H3C(O)CH3
   45378.3116  0.0017 -5.6956 3   16.5663136 -595161404 8 3 5 0     8 2 6 0      C-13-H3C(O)CH3
   45383.4911  0.0036 -6.0019 3   21.8251136 -595161404 8 8 1 0     8 7 2 0      C-13-H3C(O)CH3
   45408.7698  0.0014 -5.5174 3   28.0025168 -59516140410 6 5 0    10 5 6 0      C-13-H3C(O)CH3
   45410.0147  0.0016 -5.8948 3   22.1160 76 -595161404 9 5 5 4     9 4 6 4      C-13-H3C(O)CH3
   45420.8268  0.0013 -5.8946 3   22.1161 76 -595161404 9 5 5 3     9 4 6 3      C-13-H3C(O)CH3
   45471.8611  0.0033 -7.7794 3    6.3321 44  595161404 5 3 3 4     4 4 1 4      C-13-H3C(O)CH3
   45490.8774  0.0015 -5.5915 3   22.0532152 -595161404 9 5 5 2     9 4 6 2      C-13-H3C(O)CH3
   45492.4429  0.0015 -5.5918 3   22.0540152 -595161404 9 5 5 1     9 4 6 1      C-13-H3C(O)CH3
   45538.5188  0.0070 -6.5466 3   30.9791 84 -59516140410 8 2 4    10 7 4 4      C-13-H3C(O)CH3
   45567.8208  0.0015 -5.5896 3   21.9913152 -595161404 9 5 5 0     9 4 6 0      C-13-H3C(O)CH3
   45585.4208  0.0012 -5.7627 3   34.7065 92 -59516140411 7 5 4    11 6 6 4      C-13-H3C(O)CH3
   45654.5201  0.0012 -5.7607 3   34.7068 92 -59516140411 7 5 3    11 6 6 3      C-13-H3C(O)CH3
   45715.7906  0.0013 -5.4584 3   34.6539184 -59516140411 7 5 1    11 6 6 1      C-13-H3C(O)CH3
   45733.9034  0.0014 -5.4579 3   34.6528184 -59516140411 7 5 2    11 6 6 2      C-13-H3C(O)CH3
   45760.9679  0.0114 -6.7632 3  105.5939156 -5951614041913 7 4    1912 7 4      C-13-H3C(O)CH3
   45822.9729  0.0042 -5.5574 3   37.7060184 -59516140411 9 2 0    11 8 3 0      C-13-H3C(O)CH3
   45829.9024  0.0013 -5.4556 3   34.6002184 -59516140411 7 5 0    11 6 6 0      C-13-H3C(O)CH3
   45843.3560  0.0017 -5.9905 3   16.7007 68 -595161404 8 4 5 4     8 3 6 4      C-13-H3C(O)CH3
   45846.9283  0.0013 -5.9904 3   16.7007 68 -595161404 8 4 5 3     8 3 6 3      C-13-H3C(O)CH3
   45920.9095  0.0016 -5.6873 3   16.6336136 -595161404 8 4 5 2     8 3 6 2      C-13-H3C(O)CH3
   45924.1468  0.0016 -5.6875 3   16.6343136 -595161404 8 4 5 1     8 3 6 1      C-13-H3C(O)CH3
   45930.4952  0.0034 -8.1269 3    4.8000 36  595161404 4 4 1 4     4 1 3 4      C-13-H3C(O)CH3
   45949.3540  0.0083 -5.5145 3  139.2218180 -5951614042214 8 3    2213 9 3      C-13-H3C(O)CH3
   45975.1732  0.0032 -5.5149 3  139.2226180 -5951614042214 8 4    2213 9 4      C-13-H3C(O)CH3
   45999.8258  0.0016 -5.6853 3   16.5674136 -595161404 8 4 5 0     8 3 6 0      C-13-H3C(O)CH3
   46002.1399  0.0053 -5.2127 3  139.2149360 -5951614042214 8 1    2213 9 1      C-13-H3C(O)CH3
   46101.0621  0.0057 -5.2112 3  139.2031360 -5951614042214 8 2    2213 9 2      C-13-H3C(O)CH3
   46139.8701  0.0030 -5.2103 3  139.1960360 -5951614042214 8 0    2213 9 0      C-13-H3C(O)CH3
   46155.6346  0.0014 -6.1371 3   11.8752 60 -595161404 7 2 5 3     7 1 6 3      C-13-H3C(O)CH3
   46156.8594  0.0018 -6.1370 3   11.8752 60 -595161404 7 2 5 4     7 1 6 4      C-13-H3C(O)CH3
   46186.7078  0.0023 -5.2211 3  114.2354328 -5951614042012 8 0    2011 9 0      C-13-H3C(O)CH3
   46211.4128  0.0045 -5.2213 3  114.2503328 -5951614042012 8 2    2011 9 2      C-13-H3C(O)CH3
   46219.0413  0.0044 -7.9975 3  138.7605392  59516140424 717 0    231014 0      C-13-H3C(O)CH3
   46220.8070  0.0044 -7.9974 3  138.7604392  59516140424 817 0    23 914 0      C-13-H3C(O)CH3
   46232.2970  0.0051 -5.6516 3   37.7604184 -59516140411 9 2 1    11 8 3 1      C-13-H3C(O)CH3
   46232.5836  0.0018 -5.8338 3   11.8042120 -595161404 7 2 5 2     7 1 6 2      C-13-H3C(O)CH3
   46237.2768  0.0018 -5.8340 3   11.8047120 -595161404 7 2 5 1     7 1 6 1      C-13-H3C(O)CH3
   46248.6762  0.0038 -7.8868 3   70.4532280  59516140417 512 0    16 8 9 0      C-13-H3C(O)CH3
   46273.5030  0.0052 -5.6589 3   37.7588184 -59516140411 9 2 2    11 8 3 2      C-13-H3C(O)CH3
   46276.5933  0.0041 -5.2209 3  114.2585328 -5951614042012 8 1    2011 9 1      C-13-H3C(O)CH3
   46287.7516  0.0113 -6.3797 3   67.3628124 -5951614041511 5 4    1510 5 4      C-13-H3C(O)CH3
   46302.3982  0.0059 -5.5221 3  114.2731164 -5951614042012 8 3    2011 9 3      C-13-H3C(O)CH3
   46303.4637  0.0036 -5.5221 3  114.2739164 -5951614042012 8 4    2011 9 4      C-13-H3C(O)CH3
   46306.7115  0.0017 -6.1345 3   11.8753 60 -595161404 7 3 5 4     7 2 6 4      C-13-H3C(O)CH3
   46307.7115  0.0014 -6.1345 3   11.8753 60 -595161404 7 3 5 3     7 2 6 3      C-13-H3C(O)CH3
   46313.5219  0.0018 -5.8318 3   11.7338120 -595161404 7 2 5 0     7 1 6 0      C-13-H3C(O)CH3
   46314.3793  0.0083 -6.1023 3   51.4578216 -5951614041310 4 1    13 9 4 1      C-13-H3C(O)CH3
   46345.5486  0.0049 -7.9998 3  138.7699392  59516140424 717 1    231014 1      C-13-H3C(O)CH3
   46347.2486  0.0049 -7.9998 3  138.7699392  59516140424 817 1    23 914 1      C-13-H3C(O)CH3
   46351.6171  0.0042 -7.8902 3   70.4888280  59516140417 512 1    16 8 9 1      C-13-H3C(O)CH3
   46371.6391  0.0049 -7.9965 3  138.7678392  59516140424 717 2    231014 2      C-13-H3C(O)CH3
   46373.4132  0.0049 -7.9965 3  138.7678392  59516140424 817 2    23 914 2      C-13-H3C(O)CH3
   46379.1802  0.0041 -7.8869 3   70.4869280  59516140417 512 2    16 8 9 2      C-13-H3C(O)CH3
   46382.8106  0.0081 -6.8537 3  105.5737312 -5951614041913 7 1    1912 7 1      C-13-H3C(O)CH3
   46388.2723  0.0018 -5.8313 3   11.8043120 -595161404 7 3 5 2     7 2 6 2      C-13-H3C(O)CH3
   46390.7665  0.0017 -5.8315 3   11.8049120 -595161404 7 3 5 1     7 2 6 1      C-13-H3C(O)CH3
   46471.7167  0.0018 -5.8292 3   11.7340120 -595161404 7 3 5 0     7 2 6 0      C-13-H3C(O)CH3
   46482.0299  0.0041 -8.1913 3   70.5226140  59516140417 512 3    16 8 9 3      C-13-H3C(O)CH3
   46482.3858  0.0051 -8.1913 3   70.5226140  59516140417 512 4    16 8 9 4      C-13-H3C(O)CH3
   46498.3408  0.0058 -8.2998 3  138.7774196  59516140424 717 4    231014 4      C-13-H3C(O)CH3
   46498.4037  0.0049 -8.2998 3  138.7773196  59516140424 717 3    231014 3      C-13-H3C(O)CH3
   46500.0402  0.0058 -8.2997 3  138.7773196  59516140424 817 4    23 914 4      C-13-H3C(O)CH3
   46500.1161  0.0049 -8.2998 3  138.7773196  59516140424 817 3    23 914 3      C-13-H3C(O)CH3
   46514.8106  0.0055 -8.1358 3  229.5407504  59516140431 922 0    301219 0      C-13-H3C(O)CH3
   46514.8186  0.0055 -8.1358 3  229.5407504  595161404311022 0    301119 0      C-13-H3C(O)CH3
   46520.4364  0.0038 -7.8815 3   70.4441280  59516140417 612 0    16 7 9 0      C-13-H3C(O)CH3
   46520.9474  0.0054 -5.9040 3   37.8229 92 -59516140411 9 2 4    11 8 3 4      C-13-H3C(O)CH3
   46589.3454  0.0090 -6.0964 3   51.4553216 -5951614041310 4 2    13 9 4 2      C-13-H3C(O)CH3
   46592.9812  0.0044 -7.9295 3    4.7269 72  595161404 4 4 1 1     4 1 3 1      C-13-H3C(O)CH3
   46593.6683  0.0116 -6.4703 3   85.3914140  5951614041712 6 4    1711 6 4      C-13-H3C(O)CH3
   46613.3077  0.0043 -7.8851 3   70.4801280  59516140417 612 1    16 7 9 1      C-13-H3C(O)CH3
   46613.9999  0.0062 -8.1378 3  229.5283504  59516140431 922 1    301219 1      C-13-H3C(O)CH3
   46614.0078  0.0062 -8.1378 3  229.5283504  595161404311022 1    301119 1      C-13-H3C(O)CH3
   46635.1526  0.0062 -8.1348 3  229.5262504  59516140431 922 2    301219 2      C-13-H3C(O)CH3
   46635.1610  0.0062 -8.1348 3  229.5262504  595161404311022 2    301119 2      C-13-H3C(O)CH3
   46647.1713  0.0042 -7.8816 3   70.4779280  59516140417 612 2    16 7 9 2      C-13-H3C(O)CH3
   46655.5705  0.0015 -6.4010 3    7.6438 52  595161404 6 1 5 3     6 0 6 3      C-13-H3C(O)CH3
   46655.6891  0.0018 -6.4010 3    7.6438 52  595161404 6 1 5 4     6 0 6 4      C-13-H3C(O)CH3
   46682.2767  0.0018 -6.4005 3    7.6438 52 -595161404 6 2 5 4     6 1 6 4      C-13-H3C(O)CH3
   46682.5865  0.0015 -6.4005 3    7.6438 52 -595161404 6 2 5 3     6 1 6 3      C-13-H3C(O)CH3
   46686.5759  0.0055 -7.9510 3    4.7262 72  595161404 4 4 1 2     4 1 3 2      C-13-H3C(O)CH3
   46704.4023  0.0078 -7.0039 3  105.5658312  5951614041913 7 2    1912 7 2      C-13-H3C(O)CH3
   46734.5048  0.0059 -8.4378 3  229.5138252  59516140431 922 3    301219 3      C-13-H3C(O)CH3
   46734.5132  0.0059 -8.4378 3  229.5138252  595161404311022 3    301119 3      C-13-H3C(O)CH3
   46734.7025  0.0064 -8.4377 3  229.5138252  59516140431 922 4    301219 4      C-13-H3C(O)CH3
   46734.7108  0.0064 -8.4377 3  229.5138252  595161404311022 4    301119 4      C-13-H3C(O)CH3
   46739.0410  0.0052 -8.1862 3   70.5140140  59516140417 612 4    16 7 9 4      C-13-H3C(O)CH3
   46741.1233  0.0042 -8.1863 3   70.5139140  59516140417 612 3    16 7 9 3      C-13-H3C(O)CH3
   46742.0823  0.0019 -6.0976 3    7.5690104 -595161404 6 1 5 2     6 0 6 2      C-13-H3C(O)CH3
   46743.5335  0.0019 -6.0978 3    7.5696104 -595161404 6 1 5 1     6 0 6 1      C-13-H3C(O)CH3
   46753.9556  0.0015 -5.7085 3   41.8833100 -59516140412 8 5 4    12 7 6 4      C-13-H3C(O)CH3
   46766.7169  0.0098 -7.3201 3   26.1776 76  595161404 9 8 1 4     9 7 3 4      C-13-H3C(O)CH3
   46769.7427  0.0019 -6.0972 3    7.5691104 -595161404 6 2 5 2     6 1 6 2      C-13-H3C(O)CH3
   46770.8044  0.0019 -6.0974 3    7.5696104 -595161404 6 2 5 1     6 1 6 1      C-13-H3C(O)CH3
   46809.8715  0.0047 -5.8333 3   43.4429100 -59516140412 9 4 4    12 8 5 4      C-13-H3C(O)CH3
   46829.8311  0.0019 -6.0955 3    7.4950104 -595161404 6 1 5 0     6 0 6 0      C-13-H3C(O)CH3
   46857.9794  0.0019 -6.0950 3    7.4950104 -595161404 6 2 5 0     6 1 6 0      C-13-H3C(O)CH3
   46915.2590  0.0013 -5.7020 3   41.8840100 -59516140412 8 5 3    12 7 6 3      C-13-H3C(O)CH3
   46927.3410  0.0120 -8.2391 3   21.8545136  595161404 8 8 0 2     8 7 2 2      C-13-H3C(O)CH3
   46962.6230  0.0015 -5.4010 3   41.8360200 -59516140412 8 5 1    12 7 6 1      C-13-H3C(O)CH3
   46963.7747  0.0063 -7.3691 3   51.4944108  5951614041310 4 3    13 9 4 3      C-13-H3C(O)CH3
   47002.9881  0.0017 -5.4000 3   41.8347200 -59516140412 8 5 2    12 7 6 2      C-13-H3C(O)CH3
   47030.6935  0.0106 -8.3124 3   21.8493136  595161404 8 8 0 1     8 7 2 1      C-13-H3C(O)CH3
   47034.6934  0.0068 -8.3336 3  342.7596616  595161404381127 0    371324 0      C-13-H3C(O)CH3
   47034.6934  0.0068 -8.3336 3  342.7596616  595161404381227 0    371424 0      C-13-H3C(O)CH3
   47070.2296  0.0082 -8.3285 3  342.7342616  595161404381227 1    371424 1      C-13-H3C(O)CH3
   47070.2297  0.0082 -8.3285 3  342.7342616  595161404381127 1    371324 1      C-13-H3C(O)CH3
   47085.2141  0.0082 -8.3239 3  342.7325616  595161404381227 2    371424 2      C-13-H3C(O)CH3
   47085.2141  0.0082 -8.3157 3  342.7325616  595161404381127 2    371424 2      C-13-H3C(O)CH3
   47132.4812  0.0014 -5.3966 3   41.7872200 -59516140412 8 5 0    12 7 6 0      C-13-H3C(O)CH3
   47160.5899  0.0041 -5.8920 3   37.6676 92 -59516140411 9 3 4    11 8 4 4      C-13-H3C(O)CH3
   47195.4905  0.0032 -7.6355 3   29.5718168  59516140410 7 3 2    10 6 5 2      C-13-H3C(O)CH3
   47227.1628  0.0027 -7.5401 3   29.5726168  59516140410 7 3 1    10 6 5 1      C-13-H3C(O)CH3
   47277.6664  0.0028 -7.4255 3    3.8197 36  595161404 4 2 2 4     3 3 0 4      C-13-H3C(O)CH3
   47333.8609  0.0026 -7.7558 3    4.7999 36  595161404 4 4 0 3     4 1 3 3      C-13-H3C(O)CH3
   47382.6351  0.0028 -6.9084 3   36.1783184  59516140411 8 3 2    11 7 5 2      C-13-H3C(O)CH3
   47408.9700  0.0029 -7.3439 3   29.6269 84  59516140410 7 3 4    10 6 5 4      C-13-H3C(O)CH3
   47412.7203  0.0027 -6.8276 3   36.1788184  59516140411 8 3 1    11 7 5 1      C-13-H3C(O)CH3
   47418.9155  0.0108 -7.2469 3   32.4229168  59516140410 9 2 1    10 8 2 1      C-13-H3C(O)CH3
   47474.1236  0.0082 -6.1586 3   67.3238248  5951614041511 5 1    1510 5 1      C-13-H3C(O)CH3
   47503.6811  0.0081 -6.4280 3   85.3622280  5951614041712 6 1    1711 6 1      C-13-H3C(O)CH3
   47537.7450  0.0031 -7.4921 3    3.7371 72  595161404 4 2 2 2     3 3 0 2      C-13-H3C(O)CH3
   47547.5072  0.0027 -7.4314 3    3.7378 72  595161404 4 2 2 1     3 3 0 1      C-13-H3C(O)CH3
   47569.7823  0.0042 -5.4926 3   43.4025200 -59516140412 9 4 1    12 8 5 1      C-13-H3C(O)CH3
   47622.8952  0.0079 -8.1654 3   85.3875140  5951614041712 6 3    1711 6 3      C-13-H3C(O)CH3
   47640.2395  0.0030 -7.4426 3    4.6534 72  595161404 4 4 0 0     4 1 3 0      C-13-H3C(O)CH3
   47679.7713  0.0127 -7.1651 3   32.4219168  59516140410 9 2 2    10 8 2 2      C-13-H3C(O)CH3
   47681.1643  0.0053 -5.7329 3   51.4944108  5951614041310 3 3    13 9 4 3      C-13-H3C(O)CH3
   47694.8464  0.0134 -8.4195 3  224.2072228  595161404281811 4    281711 4      C-13-H3C(O)CH3
   47707.7243  0.0047 -5.4843 3   43.4026200 -59516140412 9 4 2    12 8 5 2      C-13-H3C(O)CH3
   47724.4711  0.0099 -8.4319 3  224.2228456  595161404281811 1    281711 1      C-13-H3C(O)CH3
   47749.7266  0.0069 -8.2608 3   21.9112152  595161404 9 4 5 2     8 7 1 2      C-13-H3C(O)CH3
   47773.1558  0.0086 -6.1928 3   67.3199248  5951614041511 5 2    1510 5 2      C-13-H3C(O)CH3
   47786.2783  0.0069 -8.2549 3   21.9117152  595161404 9 4 5 1     8 7 1 1      C-13-H3C(O)CH3
   47807.8802  0.0045 -5.6255 3   37.6370184 -59516140411 9 3 1    11 8 4 1      C-13-H3C(O)CH3
   47815.7775  0.0081 -6.5191 3   85.3565280  5951614041712 6 2    1711 6 2      C-13-H3C(O)CH3
   47839.9315  0.0023 -5.7276 3   43.4489100 -59516140412 9 4 3    12 8 5 3      C-13-H3C(O)CH3
   47841.4594  0.0070 -7.7777 3   67.3553124  5951614041511 5 3    1510 5 3      C-13-H3C(O)CH3
   47841.5916  0.0040 -6.7517 3   36.2271 92  59516140411 8 3 4    11 7 5 4      C-13-H3C(O)CH3
   47859.8117  0.0045 -7.6078 3    4.7262 72  595161404 4 4 0 2     4 1 3 2      C-13-H3C(O)CH3
   47868.5352  0.0042 -7.6185 3    4.7269 72  595161404 4 4 0 1     4 1 3 1      C-13-H3C(O)CH3
   47870.4856  0.0024 -7.7176 3   11.8232 60  595161404 7 3 5 4     6 4 2 4      C-13-H3C(O)CH3
   47918.0697  0.0025 -7.4096 3   11.7539120  595161404 7 3 5 1     6 4 2 1      C-13-H3C(O)CH3
   47938.4748  0.0052 -5.6313 3   37.6394184 -59516140411 9 3 2    11 8 4 2      C-13-H3C(O)CH3
   47940.4241  0.0028 -7.4058 3   11.7525120  595161404 7 3 5 2     6 4 2 2      C-13-H3C(O)CH3
   47943.2101  0.0030 -7.7143 3   11.8208 60  595161404 7 3 5 3     6 4 2 3      C-13-H3C(O)CH3
   47951.3478  0.0018 -7.4006 3   11.6846120  595161404 7 3 5 0     6 4 2 0      C-13-H3C(O)CH3
   48197.3132  0.0026 -5.4192 3   43.3594200 -59516140412 9 4 0    12 8 5 0      C-13-H3C(O)CH3
   48204.3526  0.0045 -5.4138 3   51.4118216 -5951614041310 3 0    13 9 4 0      C-13-H3C(O)CH3
   48249.3510  0.0039 -7.9851 3    4.8000 36  595161404 4 4 0 4     4 1 3 4      C-13-H3C(O)CH3
   48254.9643  0.0032 -5.2645 3   72.6170264 -59516140416 9 7 0    16 8 8 0      C-13-H3C(O)CH3
   48275.1183  0.0033 -5.2649 3   72.6494264 -59516140416 9 7 2    16 8 8 2      C-13-H3C(O)CH3
   48310.7945  0.0051 -5.8539 3   37.6903 92 -59516140411 9 3 3    11 8 4 3      C-13-H3C(O)CH3
   48366.4325  0.0032 -5.2641 3   72.6533264 -59516140416 9 7 1    16 8 8 1      C-13-H3C(O)CH3
   48375.4744  0.0031 -5.5656 3   72.6856132 -59516140416 9 7 3    16 8 8 3      C-13-H3C(O)CH3
   48400.6133  0.0045 -5.5653 3   72.6861132 -59516140416 9 7 4    16 8 8 4      C-13-H3C(O)CH3
   48517.3112  0.0061 -5.5163 3   51.4578216 -5951614041310 3 1    13 9 4 1      C-13-H3C(O)CH3
   48522.7887  0.0058 -7.8573 3   21.8251152  595161404 9 4 5 0     8 7 2 0      C-13-H3C(O)CH3
   48560.1195  0.0061 -5.5164 3   51.4553216 -5951614041310 3 2    13 9 4 2      C-13-H3C(O)CH3
   48666.9145  0.0053 -6.9125 3   37.6903 92  59516140411 9 2 3    11 8 4 3      C-13-H3C(O)CH3
   48746.7450  0.0032 -5.5104 3   37.5992184 -59516140411 9 3 0    11 8 4 0      C-13-H3C(O)CH3
   48747.2121  0.0019 -6.4502 3    3.6245 72 -595161404 4 2 2 0     3 3 1 0      C-13-H3C(O)CH3
   48828.1401  0.0023 -6.7471 3    3.7672 36  595161404 4 2 2 3     3 3 1 3      C-13-H3C(O)CH3
   48883.5832  0.0028 -5.6645 3   49.6559108 -59516140413 9 5 4    13 8 6 4      C-13-H3C(O)CH3
   48903.8507  0.0111 -6.5170 3   32.4481 84 -59516140410 9 2 3    10 8 2 3      C-13-H3C(O)CH3
   48904.9201  0.0034 -6.4896 3    3.6915 72 -595161404 4 2 2 2     3 3 1 2      C-13-H3C(O)CH3
   48928.7021  0.0069 -5.7946 3   51.5078108 -5951614041310 3 4    13 9 4 4      C-13-H3C(O)CH3
   48929.4194  0.0022 -5.4710 3  164.7713196 -5951614042415 9 4    241410 4      C-13-H3C(O)CH3
   48936.3843  0.0027 -5.3850 3   40.0640200 -59516140412 6 6 2    12 5 7 2      C-13-H3C(O)CH3
   48937.5757  0.0106 -5.4708 3  164.7707196 -5951614042415 9 3    241410 3      C-13-H3C(O)CH3
   48939.8486  0.0064 -5.1695 3  164.7722392 -5951614042415 9 1    241410 1      C-13-H3C(O)CH3
   48944.5942  0.0025 -5.6868 3   40.1159100 -59516140412 6 6 3    12 5 7 3      C-13-H3C(O)CH3
   48963.6035  0.0031 -5.6865 3   40.1161100 -59516140412 6 6 4    12 5 7 4      C-13-H3C(O)CH3
   48966.5321  0.0023 -5.3839 3   40.0136200 -59516140412 6 6 0    12 5 7 0      C-13-H3C(O)CH3
   48968.6451  0.0028 -6.4939 3    3.6904 72 -595161404 4 2 2 1     3 3 1 1      C-13-H3C(O)CH3
   48983.8955  0.0025 -5.3845 3   40.0655200 -59516140412 6 6 1    12 5 7 1      C-13-H3C(O)CH3
   48997.5578  0.0078 -8.3875 3   71.0714264  59516140416 9 8 0    1512 3 0      C-13-H3C(O)CH3
   49001.2795  0.0067 -5.1685 3  164.7592392 -5951614042415 9 2    241410 2      C-13-H3C(O)CH3
   49006.9034  0.0027 -5.1682 3  164.7606392 -5951614042415 9 0    241410 0      C-13-H3C(O)CH3
   49076.6587  0.0065 -8.1826 3   21.9289 76  595161404 9 4 5 3     8 7 2 3      C-13-H3C(O)CH3
   49093.2077  0.0069 -6.1033 3   32.4481 84 -59516140410 9 1 3    10 8 2 3      C-13-H3C(O)CH3
   49111.2876  0.0039 -5.9629 3   32.3735 84 -59516140410 9 2 4    10 8 3 4      C-13-H3C(O)CH3
   49247.1975  0.0058 -5.6269 3   67.3553124 -5951614041511 4 3    1510 5 3      C-13-H3C(O)CH3
   49247.9684  0.0015 -5.6419 3   49.6575108 -59516140413 9 5 3    13 8 6 3      C-13-H3C(O)CH3
   49250.9945  0.0021 -5.3462 3   49.6145216 -59516140413 9 5 1    13 8 6 1      C-13-H3C(O)CH3
   49275.7180  0.0021 -5.1647 3  150.8455376 -5951614042314 9 0    231310 0      C-13-H3C(O)CH3
   49294.1024  0.0059 -5.1648 3  150.8478376 -5951614042314 9 2    231310 2      C-13-H3C(O)CH3
   49309.5502  0.0030 -6.8461 3    3.7519 36 -595161404 4 2 2 4     3 3 1 4      C-13-H3C(O)CH3
   49311.6424  0.0129 -7.2656 3   45.1373100  5951614041210 3 4    12 9 3 4      C-13-H3C(O)CH3
   49317.8441  0.0030 -7.7271 3   41.7872216  59516140413 4 9 0    12 7 6 0      C-13-H3C(O)CH3
   49325.6664  0.0023 -5.3439 3   49.6133216 -59516140413 9 5 2    13 8 6 2      C-13-H3C(O)CH3
   49329.1797  0.0055 -5.1648 3  150.8588376 -5951614042314 9 1    231310 1      C-13-H3C(O)CH3
   49342.3357  0.0028 -5.4660 3  150.8616188 -5951614042314 9 4    231310 4      C-13-H3C(O)CH3
   49354.5434  0.0089 -5.4658 3  150.8608188 -5951614042314 9 3    231310 3      C-13-H3C(O)CH3
   49356.0169  0.0022 -7.4015 3    8.8185 52  595161404 6 3 4 4     5 4 1 4      C-13-H3C(O)CH3
   49408.9692  0.0020 -8.0964 3   43.4489100  59516140412 9 3 3    12 8 5 3      C-13-H3C(O)CH3
   49410.8168  0.0034 -7.7308 3   41.8360216  59516140413 4 9 1    12 7 6 1      C-13-H3C(O)CH3
   49421.4688  0.0033 -7.7280 3   41.8347216  59516140413 4 9 2    12 7 6 2      C-13-H3C(O)CH3
   49434.0185  0.0037 -8.3459 3   23.5706152  595161404 9 6 3 2     9 5 5 2      C-13-H3C(O)CH3
   49450.2177  0.0088 -8.0664 3   21.8545152  595161404 9 4 5 2     8 7 2 2      C-13-H3C(O)CH3
   49472.0961  0.0039 -5.6654 3   32.3544168 -59516140410 9 2 1    10 8 3 1      C-13-H3C(O)CH3
   49476.0058  0.0032 -8.2468 3   23.5714152  595161404 9 6 3 1     9 5 5 1      C-13-H3C(O)CH3
   49484.2452  0.0039 -5.6541 3   32.3552168 -59516140410 9 1 0    10 8 2 0      C-13-H3C(O)CH3
   49503.9865  0.0032 -8.0331 3   41.8840108  59516140413 4 9 3    12 7 6 3      C-13-H3C(O)CH3
   49522.6135  0.0018 -5.3361 3   49.5713216 -59516140413 9 5 0    13 8 6 0      C-13-H3C(O)CH3
   49524.8086  0.0038 -8.0327 3   41.8833108  59516140413 4 9 4    12 7 6 4      C-13-H3C(O)CH3
   49539.8818  0.0033 -8.0134 3   23.6308 76  595161404 9 6 3 4     9 5 5 4      C-13-H3C(O)CH3
   49544.9517  0.0039 -5.6669 3   32.3597168 -59516140410 9 2 2    10 8 3 2      C-13-H3C(O)CH3
   49545.7632  0.0022 -7.0666 3    8.7434104  595161404 6 3 4 1     5 4 1 1      C-13-H3C(O)CH3
   49550.3507  0.0025 -7.0622 3    8.7427104  595161404 6 3 4 2     5 4 1 2      C-13-H3C(O)CH3
   49601.3663  0.0012 -7.0475 3    8.6722104  595161404 6 3 4 0     5 4 1 0      C-13-H3C(O)CH3
   49627.6079  0.0045 -5.9569 3   32.4981 84 -59516140410 9 1 4    10 8 2 4      C-13-H3C(O)CH3
   49634.2945  0.0040 -5.6639 3   32.4229168 -59516140410 9 1 1    10 8 2 1      C-13-H3C(O)CH3
   49641.9438  0.0075 -6.0945 3   32.4235 84  59516140410 9 2 3    10 8 3 3      C-13-H3C(O)CH3
   49653.7554  0.0025 -7.3564 3    8.8088 52  595161404 6 3 4 3     5 4 1 3      C-13-H3C(O)CH3
   49656.8090  0.0072 -8.0641 3   21.8493152  595161404 9 4 5 1     8 7 2 1      C-13-H3C(O)CH3
   49709.7674  0.0040 -5.6654 3   32.4219168 -59516140410 9 1 2    10 8 2 2      C-13-H3C(O)CH3
   49740.4873  0.0010 -6.1000 3    3.1407 36  595161404 4 1 3 3     3 2 2 3      C-13-H3C(O)CH3
   49750.1015  0.0010 -5.7997 3    3.0668 72 -595161404 4 1 3 2     3 2 2 2      C-13-H3C(O)CH3
   49755.9602  0.0008 -5.7998 3    2.9937 72 -595161404 4 1 3 0     3 2 2 0      C-13-H3C(O)CH3
   49760.9354  0.0010 -5.7991 3    3.0671 72 -595161404 4 1 3 1     3 2 2 1      C-13-H3C(O)CH3
   49769.8502  0.0008 -6.1001 3    3.1399 36 -595161404 4 1 3 4     3 2 2 4      C-13-H3C(O)CH3
   49814.2189  0.0048 -5.3145 3   67.2848248 -5951614041511 4 0    1510 5 0      C-13-H3C(O)CH3
   49831.3267  0.0104 -6.5020 3   32.4235 84  59516140410 9 1 3    10 8 3 3      C-13-H3C(O)CH3
   49852.7011  0.0077 -6.1489 3   37.6394184  59516140411 9 2 2    11 8 4 2      C-13-H3C(O)CH3
   49927.4558  0.0066 -5.3858 3   67.3238248 -5951614041511 4 1    1510 5 1      C-13-H3C(O)CH3
   49930.4417  0.0075 -6.1757 3   37.6370184  59516140411 9 2 1    11 8 4 1      C-13-H3C(O)CH3
   49990.3333  0.0066 -5.3785 3   67.3199248 -5951614041511 4 2    1510 5 2      C-13-H3C(O)CH3
   50000.2321  0.0044 -6.2987 3   43.4026200  59516140412 9 3 2    12 8 5 2      C-13-H3C(O)CH3
   50048.2365  0.0045 -6.2558 3   43.4025200  59516140412 9 3 1    12 8 5 1      C-13-H3C(O)CH3
   50137.3272  0.0036 -5.6437 3   32.3324168  59516140410 9 2 0    10 8 3 0      C-13-H3C(O)CH3
   50188.0396  0.0062 -5.5561 3   85.3875140 -5951614041712 5 3    1711 6 3      C-13-H3C(O)CH3
   50229.0460  0.0039 -7.8309 3   97.4015328  59516140420 614 0    19 911 0      C-13-H3C(O)CH3
   50270.7685  0.0047 -7.9599 3  175.5463440  59516140427 819 0    261116 0      C-13-H3C(O)CH3
   50271.0430  0.0047 -7.9599 3  175.5463440  59516140427 919 0    261016 0      C-13-H3C(O)CH3
   50278.3517  0.0040 -7.8300 3   97.3998328  59516140420 714 0    19 811 0      C-13-H3C(O)CH3
   50338.6812  0.0044 -7.8340 3   97.4254328  59516140420 614 1    19 911 1      C-13-H3C(O)CH3
   50344.7488  0.0084 -5.7016 3   67.3628124  5951614041511 4 4    1510 5 4      C-13-H3C(O)CH3
   50368.0919  0.0044 -7.8307 3   97.4233328  59516140420 614 2    19 911 2      C-13-H3C(O)CH3
   50384.4613  0.0053 -7.9623 3  175.5452440  59516140427 819 1    261116 1      C-13-H3C(O)CH3
   50384.7277  0.0053 -7.9623 3  175.5452440  59516140427 919 1    261016 1      C-13-H3C(O)CH3
   50386.0571  0.0044 -7.8332 3   97.4238328  59516140420 714 1    19 811 1      C-13-H3C(O)CH3
   50409.5524  0.0053 -7.9591 3  175.5431440  59516140427 819 2    261116 2      C-13-H3C(O)CH3
   50409.8325  0.0053 -7.9591 3  175.5431440  59516140427 919 2    261016 2      C-13-H3C(O)CH3
   50416.9363  0.0044 -7.8298 3   97.4217328  59516140420 714 2    19 811 2      C-13-H3C(O)CH3
   50477.7356  0.0054 -8.1349 3   97.4474164  59516140420 614 4    19 911 4      C-13-H3C(O)CH3
   50477.9791  0.0044 -8.1349 3   97.4473164  59516140420 614 3    19 911 3      C-13-H3C(O)CH3
   50523.4515  0.0052 -8.2624 3  175.5420220  59516140427 819 3    261116 3      C-13-H3C(O)CH3
   50523.5141  0.0059 -8.2624 3  175.5420220  59516140427 819 4    261116 4      C-13-H3C(O)CH3
   50523.7238  0.0052 -8.2624 3  175.5420220  59516140427 919 3    261016 3      C-13-H3C(O)CH3
   50523.7845  0.0059 -8.2624 3  175.5420220  59516140427 919 4    261016 4      C-13-H3C(O)CH3
   50524.4310  0.0054 -8.1340 3   97.4458164  59516140420 714 4    19 811 4      C-13-H3C(O)CH3
   50525.0645  0.0044 -8.1340 3   97.4457164  59516140420 714 3    19 811 3      C-13-H3C(O)CH3
   50640.8050  0.0060 -8.1214 3  276.1479552  595161404341024 0    331321 0      C-13-H3C(O)CH3
   50640.8062  0.0060 -8.1214 3  276.1479552  595161404341124 0    331221 0      C-13-H3C(O)CH3
   50675.7239  0.0065 -5.2800 3   85.3622280 -5951614041712 5 1    1711 6 1      C-13-H3C(O)CH3
   50707.8729  0.0065 -8.3548 3   21.8749 76  595161404 9 4 5 4     8 7 2 4      C-13-H3C(O)CH3
   50710.8668  0.0070 -8.1236 3  276.1285552  595161404341024 1    331321 1      C-13-H3C(O)CH3
   50710.8680  0.0070 -8.1236 3  276.1285552  595161404341124 1    331221 1      C-13-H3C(O)CH3
   50715.9620  0.0059 -5.5081 3  105.5919156  5951614041913 6 3    1912 7 3      C-13-H3C(O)CH3
   50730.0208  0.0070 -8.1206 3  276.1265552  595161404341024 2    331321 2      C-13-H3C(O)CH3
   50730.0221  0.0070 -8.1206 3  276.1265552  595161404341124 2    331221 2      C-13-H3C(O)CH3
   50766.4117  0.0049 -5.2460 3   85.3294280 -5951614041712 5 0    1711 6 0      C-13-H3C(O)CH3
   50778.8120  0.0064 -5.2722 3   85.3565280 -5951614041712 5 2    1711 6 2      C-13-H3C(O)CH3
   50798.0810  0.0067 -6.4016 3   43.4429100  59516140412 9 3 4    12 8 5 4      C-13-H3C(O)CH3
   50810.8484  0.0041 -6.2126 3   27.6065 76  595161404 9 9 1 4     9 8 2 4      C-13-H3C(O)CH3
   50844.7654  0.0032 -5.1796 3  102.5070312 -5951614041911 8 0    1910 9 0      C-13-H3C(O)CH3
   50876.4144  0.0032 -5.1797 3  102.5260312 -5951614041911 8 2    1910 9 2      C-13-H3C(O)CH3
   50883.8621  0.0172 -7.4699 3   27.6755 76  595161404 9 9 1 3     9 8 1 3      C-13-H3C(O)CH3
   50971.1004  0.0089 -5.6080 3   85.3914140  5951614041712 5 4    1711 6 4      C-13-H3C(O)CH3
   50981.7840  0.0033 -5.1788 3  102.5320312 -5951614041911 8 1    1910 9 1      C-13-H3C(O)CH3
   51007.1814  0.0034 -5.4801 3  102.5508156  5951614041911 8 3    1910 9 3      C-13-H3C(O)CH3
   51023.4114  0.0048 -5.4799 3  102.5514156  5951614041911 8 4    1910 9 4      C-13-H3C(O)CH3
   51043.1323  0.0042 -6.2346 3   27.6755 76  595161404 9 9 0 3     9 8 1 3      C-13-H3C(O)CH3
   51044.8866  0.0059 -5.2135 3  105.5737312 -5951614041913 6 1    1912 7 1      C-13-H3C(O)CH3
   51090.6199  0.0047 -6.2340 3   27.6686 76  595161404 9 9 1 3     9 8 2 3      C-13-H3C(O)CH3
   51112.4179  0.0051 -5.4754 3  127.9666172 -5951614042114 7 3    2113 8 3      C-13-H3C(O)CH3
   51134.7869  0.0041 -5.9075 3   27.5902152  595161404 9 9 1 1     9 8 2 1      C-13-H3C(O)CH3
   51171.9084  0.0083 -5.5307 3  105.5939156 -5951614041913 6 4    1912 7 4      C-13-H3C(O)CH3
   51175.4684  0.0099 -6.6884 3   37.6676 92  59516140411 9 2 4    11 8 4 4      C-13-H3C(O)CH3
   51188.5416  0.0039 -5.9069 3   27.5967152  595161404 9 9 1 2     9 8 2 2      C-13-H3C(O)CH3
   51190.3184  0.0058 -5.2084 3  105.5658312 -5951614041913 6 2    1912 7 2      C-13-H3C(O)CH3
   51208.5317  0.0076 -8.3274 3  399.1710664  595161404411229 0    401426 0      C-13-H3C(O)CH3
   51208.5317  0.0076 -8.3274 3  399.1710664  595161404411329 0    401526 0      C-13-H3C(O)CH3
   51209.2137  0.0092 -8.3294 3  399.1433664  595161404411229 1    401426 1      C-13-H3C(O)CH3
   51209.2137  0.0092 -8.3294 3  399.1433664  595161404411329 1    401526 1      C-13-H3C(O)CH3
   51221.6749  0.0091 -8.3361 3  399.1418664  595161404411329 2    401426 2      C-13-H3C(O)CH3
   51221.6749  0.0091 -8.3361 3  399.1418664  595161404411229 2    401526 2      C-13-H3C(O)CH3
   51249.8902  0.0165 -7.4639 3   27.6686 76  595161404 9 9 0 3     9 8 2 3      C-13-H3C(O)CH3
   51264.0424  0.0049 -5.1994 3  105.5467312 -5951614041913 6 0    1912 7 0      C-13-H3C(O)CH3
   51274.2822  0.0104 -6.5058 3   45.0719200  5951614041210 3 1    12 9 3 1      C-13-H3C(O)CH3
   51323.2832  0.0052 -5.1749 3  127.9559344 -5951614042114 7 1    2113 8 1      C-13-H3C(O)CH3
   51325.7827  0.0045 -6.2067 3   27.7376 76  595161404 9 9 0 4     9 8 1 4      C-13-H3C(O)CH3
   51337.2319  0.0071 -5.4823 3  127.9675172 -5951614042114 7 4    2113 8 4      C-13-H3C(O)CH3
   51379.4136  0.0040 -5.9047 3   27.6587152  595161404 9 9 0 1     9 8 1 1      C-13-H3C(O)CH3
   51456.3045  0.0040 -5.9038 3   27.6592152  595161404 9 9 0 2     9 8 1 2      C-13-H3C(O)CH3
   51465.3843  0.0039 -5.9031 3   27.5821152  595161404 9 9 0 0     9 8 1 0      C-13-H3C(O)CH3
   51495.0687  0.0050 -5.1715 3  127.9458344 -5951614042114 7 2    2113 8 2      C-13-H3C(O)CH3
   51543.4762  0.0051 -5.7549 3   51.2864108  5951614041310 4 4    13 9 5 4      C-13-H3C(O)CH3
   51556.6226  0.0039 -5.9017 3   27.5789152 -595161404 9 9 1 0     9 8 2 0      C-13-H3C(O)CH3
   51562.1235  0.0115 -6.4346 3   45.0704200  5951614041210 3 2    12 9 3 2      C-13-H3C(O)CH3
   51574.9832  0.0112 -7.1038 3   32.3597168  59516140410 9 1 2    10 8 3 2      C-13-H3C(O)CH3
   51586.3905  0.0048 -5.1681 3  127.9349344 -5951614042114 7 0    2113 8 0      C-13-H3C(O)CH3
   51599.8547  0.0128 -7.6858 3  194.2225212  595161404261710 4    261610 4      C-13-H3C(O)CH3
   51601.7879  0.0019 -5.7063 3   32.9321 92 -59516140411 5 6 3    11 4 7 3      C-13-H3C(O)CH3
   51611.4280  0.0025 -5.7061 3   32.9322 92 -59516140411 5 6 4    11 4 7 4      C-13-H3C(O)CH3
   51636.3331  0.0021 -5.4039 3   32.8757184 -59516140411 5 6 2    11 4 7 2      C-13-H3C(O)CH3
   51663.6904  0.0020 -5.4037 3   32.8767184 -59516140411 5 6 1    11 4 7 1      C-13-H3C(O)CH3
   51687.4809  0.0104 -7.1795 3   32.3544168  59516140410 9 1 1    10 8 3 1      C-13-H3C(O)CH3
   51693.4772  0.0019 -5.4024 3   32.8204184 -59516140411 5 6 0    11 4 7 0      C-13-H3C(O)CH3
   51694.9648  0.0052 -5.4524 3  152.5071188 -5951614042315 8 3    2314 9 3      C-13-H3C(O)CH3
   51743.6818  0.0093 -7.7762 3  194.2311424  595161404261710 1    261610 1      C-13-H3C(O)CH3
   51787.2749  0.0060 -5.4541 3  152.5075188 -5951614042315 8 4    2314 9 4      C-13-H3C(O)CH3
   51813.0320  0.0048 -5.1508 3  152.5042376 -5951614042315 8 1    2314 9 1      C-13-H3C(O)CH3
   51987.5190  0.0049 -5.6441 3   58.0353116 -5951614041410 5 4    14 9 6 4      C-13-H3C(O)CH3
   51989.5764  0.0046 -5.1482 3  152.4921376 -5951614042315 8 2    2314 9 2      C-13-H3C(O)CH3
   52058.2522  0.0047 -5.1467 3  152.4892376 -5951614042315 8 0    2314 9 0      C-13-H3C(O)CH3
   52141.4643  0.0088 -8.2279 3  194.2180424  595161404261710 2    261610 2      C-13-H3C(O)CH3
   52324.9398  0.0049 -5.4597 3   51.2573216 -5951614041310 4 1    13 9 5 1      C-13-H3C(O)CH3
   52349.9219  0.0088 -8.2793 3   27.6592168  59516140410 5 5 2     9 8 1 2      C-13-H3C(O)CH3
   52377.3423  0.0008 -5.7190 3    3.8282 44 -595161404 5 0 5 3     4 1 4 3      C-13-H3C(O)CH3
   52377.5420  0.0008 -5.7190 3    3.8282 44 -595161404 5 0 5 4     4 1 4 4      C-13-H3C(O)CH3
   52385.0784  0.0010 -5.4177 3    3.7535 88 -595161404 5 0 5 1     4 1 4 1      C-13-H3C(O)CH3
   52385.0784  0.0009 -5.4178 3    3.7530 88 -595161404 5 0 5 2     4 1 4 2      C-13-H3C(O)CH3
   52392.6880  0.0009 -5.4175 3    3.6785 88 -595161404 5 0 5 0     4 1 4 0      C-13-H3C(O)CH3
   52397.2957  0.0008 -5.7186 3    3.8277 44 -595161404 5 1 5 3     4 0 4 3      C-13-H3C(O)CH3
   52397.2957  0.0008 -5.7186 3    3.8277 44 -595161404 5 1 5 4     4 0 4 4      C-13-H3C(O)CH3
   52405.2775  0.0010 -5.4173 3    3.7529 88 -595161404 5 1 5 1     4 0 4 1      C-13-H3C(O)CH3
   52405.4549  0.0009 -5.4174 3    3.7524 88 -595161404 5 1 5 2     4 0 4 2      C-13-H3C(O)CH3
   52413.4073  0.0009 -5.4171 3    3.6778 88 -595161404 5 1 5 0     4 0 4 0      C-13-H3C(O)CH3
   52442.2462  0.0089 -8.2751 3   27.6587168  59516140410 5 5 1     9 8 1 1      C-13-H3C(O)CH3
   52462.9781  0.0014 -5.5923 3   47.9059108 -59516140413 8 6 4    13 7 7 4      C-13-H3C(O)CH3
   52486.6269  0.0055 -5.4581 3   51.2586216 -5951614041310 4 2    13 9 5 2      C-13-H3C(O)CH3
   52506.7288  0.0013 -5.5913 3   47.9060108 -59516140413 8 6 3    13 7 7 3      C-13-H3C(O)CH3
   52533.8811  0.0094 -6.4330 3   45.0970100 -5951614041210 3 3    12 9 3 3      C-13-H3C(O)CH3
   52559.3343  0.0016 -5.6344 3   40.1301100 -59516140412 7 6 4    12 6 7 4      C-13-H3C(O)CH3
   52571.4689  0.0012 -5.2890 3   47.8609216 -59516140413 8 6 1    13 7 7 1      C-13-H3C(O)CH3
   52578.3424  0.0013 -5.6341 3   40.1302100 -59516140412 7 6 3    12 6 7 3      C-13-H3C(O)CH3
   52582.9735  0.0013 -5.2886 3   47.8593216 -59516140413 8 6 2    13 7 7 2      C-13-H3C(O)CH3
   52599.6707  0.0034 -5.3050 3   58.0009232 -5951614041410 5 1    14 9 6 1      C-13-H3C(O)CH3
   52647.5789  0.0014 -5.3313 3   40.0786200 -59516140412 7 6 2    12 6 7 2      C-13-H3C(O)CH3
   52647.9056  0.0014 -5.3315 3   40.0799200 -59516140412 7 6 1    12 6 7 1      C-13-H3C(O)CH3
   52669.3890  0.0139 -6.6751 3   59.9239116  5951614041411 4 4    1410 4 4      C-13-H3C(O)CH3
   52669.6057  0.0012 -5.2868 3   47.8144216 -59516140413 8 6 0    13 7 7 0      C-13-H3C(O)CH3
   52712.6925  0.0020 -5.5797 3   58.0389116 -5951614041410 5 3    14 9 6 3      C-13-H3C(O)CH3
   52724.1027  0.0035 -5.2987 3   58.0002232 -5951614041410 5 2    14 9 6 2      C-13-H3C(O)CH3
   52726.6198  0.0014 -5.3296 3   40.0285200 -59516140412 7 6 0    12 6 7 0      C-13-H3C(O)CH3
   52775.4541  0.0071 -5.8530 3   45.0970100 -5951614041210 2 3    12 9 3 3      C-13-H3C(O)CH3
   52776.1284  0.0010 -8.3599 3    1.6517 28  595161404 3 2 1 4     2 1 1 4      C-13-H3C(O)CH3
   52779.0561  0.0074 -5.4350 3  179.2067204 -5951614042516 9 3    251510 3      C-13-H3C(O)CH3
   52784.9121  0.0035 -5.6573 3   51.3002108 -5951614041310 4 3    13 9 5 3      C-13-H3C(O)CH3
   52801.9329  0.0049 -5.4354 3  179.2069204 -5951614042516 9 4    251510 4      C-13-H3C(O)CH3
   52822.1374  0.0053 -5.1336 3  179.2117408 -5951614042516 9 1    251510 1      C-13-H3C(O)CH3
   52872.6280  0.0008 -5.9964 3    3.0596 36 -595161404 4 2 3 4     3 1 2 4      C-13-H3C(O)CH3
   52890.9562  0.0012 -5.9960 3    3.0592 36 -595161404 4 2 3 3     3 1 2 3      C-13-H3C(O)CH3
   52919.9570  0.0010 -5.6945 3    2.9854 72 -595161404 4 2 3 1     3 1 2 1      C-13-H3C(O)CH3
   52929.2014  0.0012 -5.6945 3    2.9846 72 -595161404 4 2 3 2     3 1 2 2      C-13-H3C(O)CH3
   52959.8927  0.0026 -5.1269 3  192.4602424 -595161404261610 0    261511 0      C-13-H3C(O)CH3
   52964.6132  0.0068 -5.1274 3  192.4644424 -595161404261610 1    261511 1      C-13-H3C(O)CH3
   52967.1704  0.0010 -5.6937 3    2.9108 72 -595161404 4 2 3 0     3 1 2 0      C-13-H3C(O)CH3
   52971.3902  0.0020 -5.4284 3  192.4556212 -595161404261610 4    261511 4      C-13-H3C(O)CH3
   52977.7552  0.0068 -5.1269 3  192.4509424 -595161404261610 2    261511 2      C-13-H3C(O)CH3
   52982.1314  0.0052 -5.1315 3  179.1979408 -5951614042516 9 2    251510 2      C-13-H3C(O)CH3
   52992.5593  0.0116 -5.4282 3  192.4550212 -595161404261610 3    261511 3      C-13-H3C(O)CH3
   53011.2305  0.0044 -5.1309 3  179.2029408 -5951614042516 9 0    251510 0      C-13-H3C(O)CH3
   53051.8863  0.0082 -7.9318 3   27.5789168  59516140410 5 5 0     9 8 2 0      C-13-H3C(O)CH3
   53052.8676  0.0023 -5.2731 3   57.9641232 -5951614041410 5 0    14 9 6 0      C-13-H3C(O)CH3
   53072.1153  0.0018 -5.6848 3   32.9362 92 -59516140411 6 6 4    11 5 7 4      C-13-H3C(O)CH3
   53079.6098  0.0014 -5.6847 3   32.9362 92 -59516140411 6 6 3    11 5 7 3      C-13-H3C(O)CH3
   53082.5223  0.0014 -5.5531 3   56.2647116 -59516140414 9 6 4    14 8 7 4      C-13-H3C(O)CH3
   53094.3501  0.0046 -7.8743 3   24.5550 84  59516140410 4 7 4     9 5 4 4      C-13-H3C(O)CH3
   53115.3389  0.0039 -7.5691 3   24.4939168  59516140410 4 7 1     9 5 4 1      C-13-H3C(O)CH3
   53115.9471  0.0019 -8.3567 3    8.6931 52  595161404 6 3 4 4     5 4 2 4      C-13-H3C(O)CH3
   53117.0870  0.0030 -5.1268 3  137.4242360 -5951614042213 9 0    221210 0      C-13-H3C(O)CH3
   53135.3925  0.0037 -7.8739 3   24.5536 84  59516140410 4 7 3     9 5 4 3      C-13-H3C(O)CH3
   53149.0463  0.0036 -5.1268 3  137.4302360 -5951614042213 9 2    221210 2      C-13-H3C(O)CH3
   53149.9904  0.0016 -5.3818 3   32.8799184 -59516140411 6 6 2    11 5 7 2      C-13-H3C(O)CH3
   53155.4675  0.0016 -5.3820 3   32.8809184 -59516140411 6 6 1    11 5 7 1      C-13-H3C(O)CH3
   53178.6491  0.0013 -5.5504 3   56.2651116 -59516140414 9 6 3    14 8 7 3      C-13-H3C(O)CH3
   53179.6690  0.0036 -7.5608 3   24.4309168  59516140410 4 7 0     9 5 4 0      C-13-H3C(O)CH3
   53180.1185  0.0039 -7.5647 3   24.4910168  59516140410 4 7 2     9 5 4 2      C-13-H3C(O)CH3
   53188.2243  0.0033 -5.2307 3   63.1559248 -59516140415 8 7 2    15 7 8 2      C-13-H3C(O)CH3
   53193.0997  0.0029 -5.2301 3   63.1187248 -59516140415 8 7 0    15 7 8 0      C-13-H3C(O)CH3
   53211.5296  0.0030 -5.3402 3   51.2232216 -5951614041310 4 0    13 9 5 0      C-13-H3C(O)CH3
   53217.6769  0.0041 -5.4439 3   45.0171200 -5951614041210 2 0    12 9 3 0      C-13-H3C(O)CH3
   53229.5612  0.0016 -5.3800 3   32.8247184 -59516140411 6 6 0    11 5 7 0      C-13-H3C(O)CH3
   53234.8345  0.0016 -5.7582 3   26.3250 84 -59516140410 4 6 3    10 3 7 3      C-13-H3C(O)CH3
   53236.9681  0.0013 -5.2486 3   56.2251232 -59516140414 9 6 1    14 8 7 1      C-13-H3C(O)CH3
   53238.6587  0.0021 -5.7582 3   26.3251 84 -59516140410 4 6 4    10 3 7 4      C-13-H3C(O)CH3
   53248.8058  0.0032 -5.5319 3   63.1958124 -59516140415 8 7 3    15 7 8 3      C-13-H3C(O)CH3
   53252.5467  0.0036 -5.1260 3  137.4386360 -5951614042213 9 1    221210 1      C-13-H3C(O)CH3
   53264.5263  0.0031 -5.2300 3   63.1586248 -59516140415 8 7 1    15 7 8 1      C-13-H3C(O)CH3
   53268.7782  0.0015 -5.2479 3   56.2233232 -59516140414 9 6 2    14 8 7 2      C-13-H3C(O)CH3
   53272.1218  0.0040 -5.5315 3   63.1960124 -59516140415 8 7 4    15 7 8 4      C-13-H3C(O)CH3
   53285.0798  0.0046 -5.4270 3  137.4444180 -5951614042213 9 3    221210 3      C-13-H3C(O)CH3
   53287.6286  0.0047 -5.4270 3  137.4451180 -5951614042213 9 4    221210 4      C-13-H3C(O)CH3
   53296.8231  0.0107 -8.1772 3   34.0048184  59516140411 6 5 0    10 9 2 0      C-13-H3C(O)CH3
   53298.9181  0.0019 -5.4554 3   26.2639168 -59516140410 4 6 2    10 3 7 2      C-13-H3C(O)CH3
   53299.8789  0.0042 -5.7572 3   45.0043100 -5951614041210 3 4    12 9 4 4      C-13-H3C(O)CH3
   53313.1851  0.0019 -5.4555 3   26.2647168 -59516140410 4 6 1    10 3 7 1      C-13-H3C(O)CH3
   53362.9760  0.0121 -7.9731 3   32.3735 84  59516140410 9 1 4    10 8 3 4      C-13-H3C(O)CH3
   53375.4066  0.0018 -5.4537 3   26.2037168 -59516140410 4 6 0    10 3 7 0      C-13-H3C(O)CH3
   53375.4066  0.0012 -5.2457 3   56.1837232 -59516140414 9 6 0    14 8 7 0      C-13-H3C(O)CH3
   53502.3487  0.0035 -7.2720 3   51.3002108  5951614041310 3 3    13 9 5 3      C-13-H3C(O)CH3
   53510.8648  0.0044 -7.6484 3   41.6994216  59516140413 5 9 1    12 6 6 1      C-13-H3C(O)CH3
   53515.3548  0.0045 -5.4816 3   45.0719200 -5951614041210 2 1    12 9 3 1      C-13-H3C(O)CH3
   53529.5089  0.0039 -7.6422 3   41.6469216  59516140413 5 9 0    12 6 6 0      C-13-H3C(O)CH3
   53546.7582  0.0053 -7.9517 3   41.7493108  59516140413 5 9 4    12 6 6 4      C-13-H3C(O)CH3
   53569.0267  0.0043 -7.9516 3   41.7485108  59516140413 5 9 3    12 6 6 3      C-13-H3C(O)CH3
   53576.9463  0.0045 -7.6444 3   41.6963216  59516140413 5 9 2    12 6 6 2      C-13-H3C(O)CH3
   53583.3121  0.0052 -5.7551 3   45.1373100 -5951614041210 2 4    12 9 3 4      C-13-H3C(O)CH3
   53589.3383  0.0045 -5.4883 3   45.0704200 -5951614041210 2 2    12 9 3 2      C-13-H3C(O)CH3
   53658.9631  0.0121 -7.9773 3   39.3025184  5951614041110 2 1    11 9 2 1      C-13-H3C(O)CH3
   53731.5014  0.0019 -5.7510 3   26.3260 84 -59516140410 5 6 4    10 4 7 4      C-13-H3C(O)CH3
   53734.0098  0.0015 -5.7510 3   26.3260 84 -59516140410 5 6 3    10 4 7 3      C-13-H3C(O)CH3
   53752.7805  0.0041 -5.4772 3   44.9893200 -5951614041210 3 1    12 9 4 1      C-13-H3C(O)CH3
   53811.2877  0.0018 -5.4480 3   26.2649168 -59516140410 5 6 2    10 4 7 2      C-13-H3C(O)CH3
   53817.4700  0.0017 -5.4481 3   26.2657168 -59516140410 5 6 1    10 4 7 1      C-13-H3C(O)CH3
   53841.8824  0.0101 -8.3463 3   27.6686 84  59516140410 5 5 3     9 8 2 3      C-13-H3C(O)CH3
   53854.6552  0.0043 -5.4834 3   44.9940200 -5951614041210 3 2    12 9 4 2      C-13-H3C(O)CH3
   53895.9271  0.0017 -5.4461 3   26.2047168 -59516140410 5 6 0    10 4 7 0      C-13-H3C(O)CH3
   53929.6983  0.0136 -7.8926 3   39.3023184  5951614041110 2 2    11 9 2 2      C-13-H3C(O)CH3
   54102.9036  0.0073 -5.8334 3   45.0447100 -5951614041210 3 3    12 9 4 3      C-13-H3C(O)CH3
   54202.0032  0.0042 -7.7919 3  128.6483376  59516140423 716 0    221013 0      C-13-H3C(O)CH3
   54210.3278  0.0042 -7.7917 3  128.6480376  59516140423 816 0    22 913 0      C-13-H3C(O)CH3
   54219.1838  0.0016 -5.8466 3   20.3027 76 -595161404 9 3 6 3     9 2 7 3      C-13-H3C(O)CH3
   54220.4070  0.0020 -5.8466 3   20.3027 76 -595161404 9 3 6 4     9 2 7 4      C-13-H3C(O)CH3
   54221.4923  0.0108 -8.1769 3   27.5967168  59516140410 5 5 2     9 8 2 2      C-13-H3C(O)CH3
   54292.9711  0.0035 -7.6599 3   63.1531264  59516140416 511 0    15 8 8 0      C-13-H3C(O)CH3
   54301.8249  0.0019 -5.5436 3   20.2370152 -595161404 9 3 6 2     9 2 7 2      C-13-H3C(O)CH3
   54308.9402  0.0019 -5.5437 3   20.2376152 -595161404 9 3 6 1     9 2 7 1      C-13-H3C(O)CH3
   54311.8417  0.0047 -7.7949 3  128.6607376  59516140423 716 1    221013 1      C-13-H3C(O)CH3
   54319.8520  0.0047 -7.7947 3  128.6604376  59516140423 816 1    22 913 1      C-13-H3C(O)CH3
   54341.0163  0.0046 -7.7916 3  128.6584376  59516140423 716 2    221013 2      C-13-H3C(O)CH3
   54344.4660  0.0086 -6.4060 3   45.0447100 -5951614041210 2 3    12 9 4 3      C-13-H3C(O)CH3
   54349.3339  0.0046 -7.7914 3  128.6581376  59516140423 816 2    22 913 2      C-13-H3C(O)CH3
   54351.1535  0.0052 -7.9400 3  216.6227488  59516140430 921 0    291218 0      C-13-H3C(O)CH3
   54351.1950  0.0052 -7.9400 3  216.6227488  595161404301021 0    291118 0      C-13-H3C(O)CH3
   54354.4152  0.0050 -7.5946 3    9.6743 52  595161404 6 4 3 4     5 5 0 4      C-13-H3C(O)CH3
   54356.1339  0.0020 -5.8447 3   20.3029 76 -595161404 9 4 6 4     9 3 7 4      C-13-H3C(O)CH3
   54356.8177  0.0016 -5.8446 3   20.3029 76 -595161404 9 4 6 3     9 3 7 3      C-13-H3C(O)CH3
   54374.3065  0.0039 -7.6639 3   63.1918264  59516140416 511 1    15 8 8 1      C-13-H3C(O)CH3
   54387.4167  0.0047 -7.9267 3    7.7664 44  595161404 5 5 1 4     5 2 3 4      C-13-H3C(O)CH3
   54390.8765  0.0019 -5.5417 3   20.1720152 -595161404 9 3 6 0     9 2 7 0      C-13-H3C(O)CH3
   54401.3840  0.0038 -7.6607 3   63.1899264  59516140416 511 2    15 8 8 2      C-13-H3C(O)CH3
   54415.1381  0.0098 -6.0773 3   59.8719232 -5951614041411 4 1    1410 4 1      C-13-H3C(O)CH3
   54443.3115  0.0019 -5.5415 3   20.2372152 -595161404 9 4 6 2     9 3 7 2      C-13-H3C(O)CH3
   54444.9415  0.0060 -7.9425 3  216.6124488  59516140430 921 1    291218 1      C-13-H3C(O)CH3
   54444.9823  0.0060 -7.9425 3  216.6124488  595161404301021 1    291118 1      C-13-H3C(O)CH3
   54448.0632  0.0019 -5.5417 3   20.2378152 -595161404 9 4 6 1     9 3 7 1      C-13-H3C(O)CH3
   54450.9394  0.0056 -8.0955 3  128.6709188  59516140423 716 4    221013 4      C-13-H3C(O)CH3
   54451.0987  0.0046 -8.0956 3  128.6709188  59516140423 716 3    221013 3      C-13-H3C(O)CH3
   54457.4012  0.0065 -5.9812 3   51.2586216 -5951614041310 3 2    13 9 5 2      C-13-H3C(O)CH3
   54458.9045  0.0056 -8.0954 3  128.6706188  59516140423 816 4    22 913 4      C-13-H3C(O)CH3
   54459.1227  0.0046 -8.0954 3  128.6706188  59516140423 816 3    22 913 3      C-13-H3C(O)CH3
   54468.4083  0.0059 -7.9394 3  216.6102488  59516140430 921 2    291218 2      C-13-H3C(O)CH3
   54468.4516  0.0059 -7.9394 3  216.6102488  595161404301021 2    291118 2      C-13-H3C(O)CH3
   54481.1979  0.0038 -7.9659 3   63.2287132  59516140416 511 3    15 8 8 3      C-13-H3C(O)CH3
   54484.2632  0.0047 -7.9657 3   63.2286132  59516140416 511 4    15 8 8 4      C-13-H3C(O)CH3
   54495.5403  0.0091 -8.1695 3   27.5902168  59516140410 5 5 1     9 8 2 1      C-13-H3C(O)CH3
   54516.0755  0.0045 -8.3472 3   26.2246168  59516140410 4 6 1     9 7 2 1      C-13-H3C(O)CH3
   54527.8550  0.0067 -5.9818 3   51.2573216 -5951614041310 3 1    13 9 5 1      C-13-H3C(O)CH3
   54534.7862  0.0019 -5.5396 3   20.1722152 -595161404 9 4 6 0     9 3 7 0      C-13-H3C(O)CH3
   54562.3498  0.0056 -8.2429 3  216.5999244  59516140430 921 3    291218 3      C-13-H3C(O)CH3
   54562.3924  0.0056 -8.2429 3  216.5999244  595161404301021 3    291118 3      C-13-H3C(O)CH3
   54562.5029  0.0062 -8.2428 3  216.5999244  59516140430 921 4    291218 4      C-13-H3C(O)CH3
   54562.5452  0.0062 -8.2428 3  216.5999244  595161404301021 4    291118 4      C-13-H3C(O)CH3
   54610.5091  0.0035 -5.4234 3   44.9671200 -5951614041210 3 0    12 9 4 0      C-13-H3C(O)CH3
   54626.1066  0.0126 -7.0630 3  166.4034196  5951614042416 9 4    2415 9 4      C-13-H3C(O)CH3
   54633.3182  0.0066 -5.1189 3  208.0697440 -595161404271710 1    271611 1      C-13-H3C(O)CH3
   54635.5950  0.0038 -5.4200 3  208.0575220 -595161404271710 4    271611 4      C-13-H3C(O)CH3
   54646.7300  0.0105 -5.4198 3  208.0572220 -595161404271710 3    271611 3      C-13-H3C(O)CH3
   54652.9044  0.0023 -5.5162 3   65.2119124 -5951614041510 6 4    15 9 7 4      C-13-H3C(O)CH3
   54703.6561  0.0054 -8.2420 3   87.0526296  59516140418 910 1    1712 5 1      C-13-H3C(O)CH3
   54705.0210  0.0053 -8.2277 3   87.0503296  59516140418 910 2    1712 5 2      C-13-H3C(O)CH3
   54723.7795  0.0103 -6.0309 3   59.8699232 -5951614041411 4 2    1410 4 2      C-13-H3C(O)CH3
   54748.1314  0.0041 -5.1173 3  208.0672440 -595161404271710 0    271611 0      C-13-H3C(O)CH3
   54758.2250  0.0063 -5.1173 3  208.0547440 -595161404271710 2    271611 2      C-13-H3C(O)CH3
   54781.6501  0.0037 -8.1835 3   87.0228296  59516140418 910 0    1712 5 0      C-13-H3C(O)CH3
   54785.5848  0.0066 -8.1243 3  327.0382600  595161404371126 0    361423 0      C-13-H3C(O)CH3
   54785.5850  0.0066 -8.1243 3  327.0382600  595161404371226 0    361323 0      C-13-H3C(O)CH3
   54823.5991  0.0079 -8.1268 3  327.0138600  595161404371126 1    361423 1      C-13-H3C(O)CH3
   54823.5993  0.0079 -8.1268 3  327.0138600  595161404371226 1    361323 1      C-13-H3C(O)CH3
   54831.5231  0.0017 -5.9894 3   14.8707 68 -595161404 8 2 6 3     8 1 7 3      C-13-H3C(O)CH3
   54831.7559  0.0020 -5.9894 3   14.8707 68 -595161404 8 2 6 4     8 1 7 4      C-13-H3C(O)CH3
   54840.3489  0.0079 -8.1242 3  327.0119600  595161404371126 2    361423 2      C-13-H3C(O)CH3
   54840.3491  0.0079 -8.1239 3  327.0119600  595161404371226 2    361323 2      C-13-H3C(O)CH3
   54860.9441  0.0020 -5.9890 3   14.8707 68 -595161404 8 3 6 4     8 2 7 4      C-13-H3C(O)CH3
   54860.9441  0.0017 -5.9890 3   14.8707 68 -595161404 8 3 6 3     8 2 7 3      C-13-H3C(O)CH3
   54860.9441  0.0014 -5.5074 3   65.2128124 -5951614041510 6 3    15 9 7 3      C-13-H3C(O)CH3
   54900.6065  0.0017 -5.2074 3   65.1781248 -5951614041510 6 1    15 9 7 1      C-13-H3C(O)CH3
   54926.1698  0.0021 -5.6862 3   14.8005136 -595161404 8 2 6 2     8 1 7 2      C-13-H3C(O)CH3
   54929.4823  0.0020 -5.6864 3   14.8010136 -595161404 8 2 6 1     8 1 7 1      C-13-H3C(O)CH3
   54930.2918  0.0089 -7.1748 3  166.4046392  5951614042416 9 1    2415 9 1      C-13-H3C(O)CH3
   54956.5576  0.0021 -5.6857 3   14.8005136 -595161404 8 3 6 2     8 2 7 2      C-13-H3C(O)CH3
   54959.3562  0.0020 -5.6859 3   14.8010136 -595161404 8 3 6 1     8 2 7 1      C-13-H3C(O)CH3
   54962.7665  0.0018 -5.2060 3   65.1763248 -5951614041510 6 2    15 9 7 2      C-13-H3C(O)CH3
   54997.3647  0.0051 -7.2167 3    9.5877104  595161404 6 4 3 1     5 5 0 1      C-13-H3C(O)CH3
   55013.6783  0.0055 -7.2076 3    9.5870104  595161404 6 4 3 2     5 5 0 2      C-13-H3C(O)CH3
   55023.8950  0.0021 -5.6841 3   14.7309136 -595161404 8 2 6 0     8 1 7 0      C-13-H3C(O)CH3
   55054.8259  0.0021 -5.6837 3   14.7310136 -595161404 8 3 6 0     8 2 7 0      C-13-H3C(O)CH3
   55108.9326  0.0015 -5.2024 3   65.1421248 -5951614041510 6 0    15 9 7 0      C-13-H3C(O)CH3
   55129.4941  0.0026 -7.5307 3   36.1289200  59516140412 4 8 0    11 7 5 0      C-13-H3C(O)CH3
   55219.3732  0.0143 -6.3247 3   76.8716132 -5951614041612 5 4    1611 5 4      C-13-H3C(O)CH3
   55222.9848  0.0031 -7.2303 3   49.6133216  59516140413 9 4 2    13 8 6 2      C-13-H3C(O)CH3
   55224.5028  0.0017 -6.2568 3   10.0331 60 -595161404 7 1 6 3     7 0 7 3      C-13-H3C(O)CH3
   55224.5028  0.0021 -6.2568 3   10.0331 60 -595161404 7 1 6 4     7 0 7 4      C-13-H3C(O)CH3
   55228.9068  0.0017 -6.2567 3   10.0331 60 -595161404 7 2 6 3     7 1 7 3      C-13-H3C(O)CH3
   55228.9068  0.0021 -6.2567 3   10.0331 60 -595161404 7 2 6 4     7 1 7 4      C-13-H3C(O)CH3
   55235.8083  0.0029 -6.2159 3    1.9094 28 -595161404 3 3 1 4     2 2 0 4      C-13-H3C(O)CH3
   55241.0324  0.0028 -7.5318 3   36.1783200  59516140412 4 8 2    11 7 5 2      C-13-H3C(O)CH3
   55253.3126  0.0029 -7.5340 3   36.1788200  59516140412 4 8 1    11 7 5 1      C-13-H3C(O)CH3
   55256.8152  0.0059 -7.6597 3    7.6953 88  595161404 5 5 1 1     5 2 3 1      C-13-H3C(O)CH3
   55261.5539  0.0027 -7.1231 3   49.6145216  59516140413 9 4 1    13 8 6 1      C-13-H3C(O)CH3
   55312.3274  0.0083 -7.4778 3  166.3937392  5951614042416 9 2    2415 9 2      C-13-H3C(O)CH3
   55325.1617  0.0038 -7.6421 3   63.1187264  59516140416 611 0    15 7 8 0      C-13-H3C(O)CH3
   55325.8547  0.0027 -7.8364 3   36.2296100  59516140412 4 8 3    11 7 5 3      C-13-H3C(O)CH3
   55327.6445  0.0022 -5.9535 3    9.9586120 -595161404 7 1 6 2     7 0 7 2      C-13-H3C(O)CH3
   55328.7630  0.0022 -5.9537 3    9.9591120 -595161404 7 1 6 1     7 0 7 1      C-13-H3C(O)CH3
   55332.2129  0.0022 -5.9534 3    9.9586120 -595161404 7 2 6 2     7 1 7 2      C-13-H3C(O)CH3
   55333.2381  0.0022 -5.9536 3    9.9591120 -595161404 7 2 6 1     7 1 7 1      C-13-H3C(O)CH3
   55359.7689  0.0081 -8.3418 3   78.7971280  59516140417 9 9 2    1612 4 2      C-13-H3C(O)CH3
   55363.0350  0.0104 -8.3549 3  459.8293712  595161404441331 1    431528 1      C-13-H3C(O)CH3
   55371.9614  0.0042 -7.6467 3   63.1586264  59516140416 611 1    15 7 8 1      C-13-H3C(O)CH3
   55394.9747  0.0085 -8.3527 3  459.8570712  595161404441331 0    431528 0      C-13-H3C(O)CH3
   55397.8700  0.0075 -7.6667 3    7.6942 88  595161404 5 5 1 2     5 2 3 2      C-13-H3C(O)CH3
   55402.7966  0.0079 -6.6134 3   59.8964116  5951614041411 4 3    1410 4 3      C-13-H3C(O)CH3
   55403.2924  0.0029 -7.8361 3   36.2271100  59516140412 4 8 4    11 7 5 4      C-13-H3C(O)CH3
   55419.0053  0.0041 -7.6432 3   63.1559264  59516140416 611 2    15 7 8 2      C-13-H3C(O)CH3
   55420.3230  0.0027 -5.0978 3  177.3542408 -595161404251510 0    251411 0      C-13-H3C(O)CH3
   55421.9905  0.0144 -6.6170 3   39.3137 92  5951614041110 2 3    11 9 2 3      C-13-H3C(O)CH3
   55431.7370  0.0023 -5.9514 3    9.8848120 -595161404 7 1 6 0     7 0 7 0      C-13-H3C(O)CH3
   55436.3886  0.0023 -5.9513 3    9.8848120 -595161404 7 2 6 0     7 1 7 0      C-13-H3C(O)CH3
   55444.6582  0.0044 -5.8675 3   39.2407 92 -5951614041110 2 4    11 9 3 4      C-13-H3C(O)CH3
   55446.3501  0.0048 -5.0977 3  177.3484408 -595161404251510 2    251411 2      C-13-H3C(O)CH3
   55462.5861  0.0052 -7.9489 3   63.1960132  59516140416 611 4    15 7 8 4      C-13-H3C(O)CH3
   55468.8177  0.0040 -7.9489 3   63.1958132  59516140416 611 3    15 7 8 3      C-13-H3C(O)CH3
   55521.4155  0.0036 -6.9557 3   49.6559108  59516140413 9 4 4    13 8 6 4      C-13-H3C(O)CH3
   55528.3297  0.0048 -5.0972 3  177.3594408 -595161404251510 1    251411 1      C-13-H3C(O)CH3
   55544.8227  0.0028 -6.9137 3    9.5031104 -595161404 6 4 3 0     5 5 0 0      C-13-H3C(O)CH3
   55549.7294  0.0040 -5.3982 3  177.3540204 -595161404251510 4    251411 4      C-13-H3C(O)CH3
   55561.2708  0.0074 -5.3981 3  177.3534204 -595161404251510 3    251411 3      C-13-H3C(O)CH3
   55566.4560  0.0099 -6.3348 3   51.2864108 -5951614041310 3 4    13 9 5 4      C-13-H3C(O)CH3
   55604.9217  0.0058 -5.9511 3   39.3137 92 -5951614041110 1 3    11 9 2 3      C-13-H3C(O)CH3
   55694.8543  0.0158 -7.9134 3   53.1399108  5951614041311 3 4    1310 3 4      C-13-H3C(O)CH3
   55707.7975  0.0028 -5.7560 3    1.8322 56 -595161404 3 3 1 1     2 2 0 1      C-13-H3C(O)CH3
   55715.5935  0.0046 -7.2600 3    9.6311 52  595161404 6 4 3 3     5 5 0 3      C-13-H3C(O)CH3
   55754.8364  0.0033 -5.7410 3    1.8317 56 -595161404 3 3 1 2     2 2 0 2      C-13-H3C(O)CH3
   55771.6198  0.0054 -8.1389 3   78.7552280  59516140417 9 9 0    1612 4 0      C-13-H3C(O)CH3
   55774.8508  0.0063 -5.6545 3   59.8964116 -5951614041411 3 3    1410 4 3      C-13-H3C(O)CH3
   55778.0981  0.0063 -5.9487 3   39.3018 92 -5951614041110 2 3    11 9 3 3      C-13-H3C(O)CH3
   55781.5848  0.0042 -5.5637 3   39.2317184 -5951614041110 2 1    11 9 3 1      C-13-H3C(O)CH3
   55827.7653  0.0014 -5.9600 3    1.9049 28 -595161404 3 3 1 3     2 2 0 3      C-13-H3C(O)CH3
   55843.8843  0.0039 -5.5634 3   39.2385184 -5951614041110 2 2    11 9 3 2      C-13-H3C(O)CH3
   55881.8783  0.0100 -6.3720 3   44.9940200  5951614041210 2 2    12 9 4 2      C-13-H3C(O)CH3
   55915.8443  0.0053 -7.6645 3    7.7659 44  595161404 5 5 0 3     5 2 3 3      C-13-H3C(O)CH3
   55934.3133  0.0049 -8.1936 3    9.6238 52  595161404 6 4 3 3     5 5 1 3      C-13-H3C(O)CH3
   55941.8146  0.0050 -5.8625 3   39.3747 92 -5951614041110 1 4    11 9 2 4      C-13-H3C(O)CH3
   55961.0499  0.0137 -6.6090 3   39.3018 92  5951614041110 1 3    11 9 3 3      C-13-H3C(O)CH3
   55991.2203  0.0015 -5.6546 3    1.7569 56 -595161404 3 3 1 0     2 2 0 0      C-13-H3C(O)CH3
   55993.8223  0.0099 -6.4371 3   44.9893200  5951614041210 2 1    12 9 4 1      C-13-H3C(O)CH3
   56002.6990  0.0042 -5.5615 3   39.3025184 -5951614041110 1 1    11 9 2 1      C-13-H3C(O)CH3
   56034.2978  0.0040 -5.5594 3   39.2345184 -5951614041110 1 0    11 9 2 0      C-13-H3C(O)CH3
   56053.6893  0.0031 -6.5606 3   58.0002232  5951614041410 4 2    14 9 6 2      C-13-H3C(O)CH3
   56091.6889  0.0042 -5.5610 3   39.3023184 -5951614041110 1 2    11 9 2 2      C-13-H3C(O)CH3
   56092.5827  0.0033 -6.4745 3   58.0009232  5951614041410 4 1    14 9 6 1      C-13-H3C(O)CH3
   56118.7480  0.0062 -5.6226 3   67.0349124 -5951614041511 5 4    1510 6 4      C-13-H3C(O)CH3
   56275.1924  0.0043 -5.3012 3   59.8292232 -5951614041411 3 0    1410 4 0      C-13-H3C(O)CH3
   56283.8883  0.0038 -7.4744 3   26.1067168  59516140410 4 6 0     9 7 3 0      C-13-H3C(O)CH3
   56298.5696  0.0039 -5.5555 3   39.2253184 -5951614041110 2 0    11 9 3 0      C-13-H3C(O)CH3
   56349.3919  0.0045 -7.3143 3    7.6235 88  595161404 5 5 0 0     5 2 3 0      C-13-H3C(O)CH3
   56358.5691  0.0061 -7.2178 3    9.5421104  595161404 6 4 3 2     5 5 1 2      C-13-H3C(O)CH3
   56463.9157  0.0034 -5.1310 3   91.2840296 -5951614041810 8 0    18 9 9 0      C-13-H3C(O)CH3
   56472.4633  0.0048 -7.2068 3    9.5384104  595161404 6 4 3 1     5 5 1 1      C-13-H3C(O)CH3
   56480.8532  0.0037 -5.1314 3   91.3075296 -5951614041810 8 2    18 9 9 2      C-13-H3C(O)CH3
   56557.9988  0.0131 -6.5695 3  140.7562180  5951614042215 8 4    2214 8 4      C-13-H3C(O)CH3
   56586.0912  0.0035 -5.1304 3   91.3117296 -5951614041810 8 1    18 9 9 1      C-13-H3C(O)CH3
   56593.1230  0.0037 -5.4319 3   91.3351148 -5951614041810 8 3    18 9 9 3      C-13-H3C(O)CH3
   56615.7942  0.0049 -5.4316 3   91.3354148 -5951614041810 8 4    18 9 9 4      C-13-H3C(O)CH3
   56619.5986  0.0061 -6.4504 3   58.0353116 -5951614041410 4 4    14 9 6 4      C-13-H3C(O)CH3
   56639.3041  0.0055 -5.3810 3   59.8719232 -5951614041411 3 1    1410 4 1      C-13-H3C(O)CH3
   56657.9912  0.0033 -7.7735 3   26.2109 84  59516140410 4 6 3     9 7 3 3      C-13-H3C(O)CH3
   56683.9479  0.0095 -5.9018 3   76.8337264 -5951614041612 5 1    1611 5 1      C-13-H3C(O)CH3
   56701.9619  0.0055 -5.3901 3   59.8699232 -5951614041411 3 2    1410 4 2      C-13-H3C(O)CH3
   56731.9137  0.0056 -7.5764 3    7.6953 88  595161404 5 5 0 1     5 2 3 1      C-13-H3C(O)CH3
   56737.6589  0.0058 -7.5274 3   26.1492168  59516140410 4 6 2     9 7 3 2      C-13-H3C(O)CH3
   56742.7608  0.0059 -7.5719 3    7.6942 88  595161404 5 5 0 2     5 2 3 2      C-13-H3C(O)CH3
   56787.2741  0.0144 -6.1941 3   95.9902148 -5951614041813 6 4    1812 6 4      C-13-H3C(O)CH3
   56854.3224  0.0062 -5.6377 3   59.9239116 -5951614041411 3 4    1410 4 4      C-13-H3C(O)CH3
   56876.7093  0.0049 -7.5336 3   26.1458168  59516140410 4 6 1     9 7 3 1      C-13-H3C(O)CH3
   56901.1206  0.0048 -5.2910 3   67.0094248 -5951614041511 5 1    1510 6 1      C-13-H3C(O)CH3
   56969.5835  0.0043 -7.2167 3    6.4095 44  595161404 5 3 2 4     4 4 0 4      C-13-H3C(O)CH3
   57016.7931  0.0096 -5.8864 3   76.8308264 -5951614041612 5 2    1611 5 2      C-13-H3C(O)CH3
   57027.7016  0.0026 -5.2165 3   54.2096232 -59516140414 7 7 2    14 6 8 2      C-13-H3C(O)CH3
   57034.4400  0.0047 -6.1248 3   34.0117 84 -5951614041010 1 4    10 9 2 4      C-13-H3C(O)CH3
   57035.3357  0.0024 -5.5183 3   54.2538116 -59516140414 7 7 3    14 6 8 3      C-13-H3C(O)CH3
   57050.2097  0.0032 -5.5181 3   54.2539116 -59516140414 7 7 4    14 6 8 4      C-13-H3C(O)CH3
   57063.6303  0.0024 -5.2155 3   54.1673232 -59516140414 7 7 0    14 6 8 0      C-13-H3C(O)CH3
   57075.5290  0.0051 -5.2823 3   67.0096248 -5951614041511 5 2    1510 6 2      C-13-H3C(O)CH3
   57078.3902  0.0025 -5.2161 3   54.2114232 -59516140414 7 7 1    14 6 8 1      C-13-H3C(O)CH3
   57088.9396  0.0099 -8.0878 3  140.7546180  5951614042215 8 3    2214 8 3      C-13-H3C(O)CH3
   57091.9273  0.0195 -8.2269 3   34.0857 84  5951614041010 1 3    10 9 1 3      C-13-H3C(O)CH3
   57103.4353  0.0087 -6.6316 3  140.7494360  5951614042215 8 1    2214 8 1      C-13-H3C(O)CH3
   57122.0834  0.0018 -6.4026 3    1.8317 56 -595161404 3 3 0 2     2 2 0 2      C-13-H3C(O)CH3
   57128.9312  0.0018 -6.3404 3    1.8322 56 -595161404 3 3 0 1     2 2 0 1      C-13-H3C(O)CH3
   57142.0304  0.0043 -7.9000 3   41.8347200  59516140412 8 4 2    12 7 6 2      C-13-H3C(O)CH3
   57163.7599  0.0041 -7.4366 3    9.5806 52  595161404 6 4 3 4     5 5 1 4      C-13-H3C(O)CH3
   57196.7613  0.0051 -7.9089 3    7.7664 44  595161404 5 5 0 4     5 2 3 4      C-13-H3C(O)CH3
   57198.0992  0.0037 -7.7875 3   41.8360200  59516140412 8 4 1    12 7 6 1      C-13-H3C(O)CH3
   57209.4843  0.0028 -5.5185 3   67.0428124 -5951614041511 5 3    1510 6 3      C-13-H3C(O)CH3
   57240.6578  0.0045 -6.1262 3   34.0857 84 -5951614041010 0 3    10 9 1 3      C-13-H3C(O)CH3
   57262.9983  0.0042 -5.4895 3   74.7574132 -5951614041611 6 4    1610 7 4      C-13-H3C(O)CH3
   57267.8904  0.0141 -6.2707 3  117.2846164 -5951614042014 7 4    2013 7 4      C-13-H3C(O)CH3
   57268.1665  0.0016 -6.3022 3    1.9094 28 -595161404 3 3 0 4     2 2 0 4      C-13-H3C(O)CH3
   57281.3586  0.0049 -6.1258 3   34.0794 84 -5951614041010 1 3    10 9 2 3      C-13-H3C(O)CH3
   57301.6371  0.0048 -5.6299 3   59.7694116 -5951614041411 4 4    1410 5 4      C-13-H3C(O)CH3
   57313.9511  0.0039 -7.5692 3   41.8833100  59516140412 8 4 4    12 7 6 4      C-13-H3C(O)CH3
   57363.4116  0.0045 -5.8200 3   34.0046168 -5951614041010 1 1    10 9 2 1      C-13-H3C(O)CH3
   57383.9470  0.0072 -6.9485 3   76.8554132  5951614041612 5 3    1611 5 3      C-13-H3C(O)CH3
   57401.5345  0.0043 -7.0388 3    6.3227 88  595161404 5 3 2 2     4 4 0 2      C-13-H3C(O)CH3
   57411.1171  0.0042 -5.8195 3   34.0123168 -5951614041010 1 2    10 9 2 2      C-13-H3C(O)CH3
   57411.3195  0.0042 -7.0155 3    6.3236 88  595161404 5 3 2 1     4 4 0 1      C-13-H3C(O)CH3
   57430.0984  0.0189 -8.2219 3   34.0794 84  5951614041010 0 3    10 9 2 3      C-13-H3C(O)CH3
   57475.2218  0.0081 -6.8320 3  140.7409360  5951614042215 8 2    2214 8 2      C-13-H3C(O)CH3
   57477.1363  0.0077 -5.1042 3  239.0687472 -595161404291811 1    291712 1      C-13-H3C(O)CH3
   57490.2041  0.0050 -6.1204 3   34.1535 84 -5951614041010 0 4    10 9 1 4      C-13-H3C(O)CH3
   57499.3294  0.0029 -5.4050 3  239.0496236 -595161404291811 4    291712 4      C-13-H3C(O)CH3
   57516.3611  0.0038 -5.1036 3  239.0723472 -595161404291811 0    291712 0      C-13-H3C(O)CH3
   57523.4510  0.0129 -5.4048 3  239.0493236 -595161404291811 3    291712 3      C-13-H3C(O)CH3
   57552.8130  0.0069 -5.1032 3  239.0530472 -595161404291811 2    291712 2      C-13-H3C(O)CH3
   57571.6125  0.0131 -7.1454 3   45.0043100  5951614041210 2 4    12 9 4 4      C-13-H3C(O)CH3
   57573.1554  0.0043 -5.8180 3   34.0785168 -5951614041010 0 1    10 9 1 1      C-13-H3C(O)CH3
   57615.7983  0.0027 -5.2090 3   66.9804248 -5951614041511 5 0    1510 6 0      C-13-H3C(O)CH3
   57658.3124  0.0043 -5.8171 3   34.0801168 -5951614041010 0 2    10 9 1 2      C-13-H3C(O)CH3
   57659.9129  0.0047 -7.8779 3   26.1776 84  59516140410 4 6 4     9 7 3 4      C-13-H3C(O)CH3
   57680.9589  0.0026 -5.1680 3   74.7300264 -5951614041611 6 1    1610 7 1      C-13-H3C(O)CH3
   57696.4887  0.0018 -5.4608 3   74.7595132 -5951614041611 6 3    1610 7 3      C-13-H3C(O)CH3
   57712.9794  0.0015 -6.3334 3    1.8268 28  595161404 3 3 1 4     2 2 1 4      C-13-H3C(O)CH3
   57724.4364  0.0042 -5.8159 3   34.0059168 -5951614041010 0 0    10 9 1 0      C-13-H3C(O)CH3
   57756.6889  0.0042 -5.8155 3   34.0048168 -5951614041010 1 0    10 9 2 0      C-13-H3C(O)CH3
   57786.4764  0.0026 -5.1646 3   74.7285264 -5951614041611 6 2    1610 7 2      C-13-H3C(O)CH3
   57874.5045  0.0123 -7.0651 3   53.0762216  5951614041311 3 1    1310 3 1      C-13-H3C(O)CH3
   57908.0311  0.0047 -5.3628 3   59.7554232 -5951614041411 4 1    1410 5 1      C-13-H3C(O)CH3
   57962.3848  0.0093 -5.9393 3   95.9645296 -5951614041813 6 1    1812 6 1      C-13-H3C(O)CH3
   57990.9607  0.0018 -6.3675 3    1.7561 56 -595161404 3 3 1 1     2 2 1 1      C-13-H3C(O)CH3
   57994.3242  0.0027 -7.4179 3   30.8859184  59516140411 4 7 0    10 7 4 0      C-13-H3C(O)CH3
   58005.8953  0.0123 -7.8348 3   39.2385184  5951614041110 1 2    11 9 3 2      C-13-H3C(O)CH3
   58005.9970  0.0019 -5.1552 3   74.7001264 -5951614041611 6 0    1610 7 0      C-13-H3C(O)CH3
   58020.9440  0.0022 -6.4293 3    1.7561 56 -595161404 3 3 1 2     2 2 1 2      C-13-H3C(O)CH3
   58048.9767  0.0060 -5.5264 3   76.8554132 -5951614041612 4 3    1611 5 3      C-13-H3C(O)CH3
   58053.3080  0.0050 -5.3708 3   59.7589232 -5951614041411 4 2    1410 5 2      C-13-H3C(O)CH3
   58103.2895  0.0027 -5.0865 3  222.2852456 -595161404281711 0    281612 0      C-13-H3C(O)CH3
   58125.2872  0.0118 -7.9135 3   39.2317184  5951614041110 1 1    11 9 3 1      C-13-H3C(O)CH3
   58128.1011  0.0089 -6.1937 3  117.2691328 -5951614042014 7 1    2013 7 1      C-13-H3C(O)CH3
   58128.1011  0.0060 -5.0863 3  222.2689456 -595161404281711 2    281612 2      C-13-H3C(O)CH3
   58156.0566  0.0031 -6.5221 3    6.2272 88 -595161404 5 3 2 0     4 4 1 0      C-13-H3C(O)CH3
   58168.4803  0.0064 -5.0862 3  222.2825456 -595161404281711 1    281612 1      C-13-H3C(O)CH3
   58173.2314  0.0031 -7.4210 3   30.9352184  59516140411 4 7 2    10 7 4 2      C-13-H3C(O)CH3
   58182.1587  0.0031 -5.3871 3  222.2665228 -595161404281711 4    281612 4      C-13-H3C(O)CH3
   58183.6829  0.0131 -6.9715 3   53.0751216  5951614041311 3 2    1310 3 2      C-13-H3C(O)CH3
   58204.0585  0.0109 -5.3870 3  222.2660228 -595161404281711 3    281612 3      C-13-H3C(O)CH3
   58211.0845  0.0045 -7.7683 3  164.1893424  59516140426 818 0    251115 0      C-13-H3C(O)CH3
   58212.4240  0.0045 -7.7683 3  164.1893424  59516140426 918 0    251015 0      C-13-H3C(O)CH3
   58229.7663  0.0029 -7.4227 3   30.9344184  59516140411 4 7 1    10 7 4 1      C-13-H3C(O)CH3
   58251.8321  0.0026 -7.7212 3   30.9891 92  59516140411 4 7 3    10 7 4 3      C-13-H3C(O)CH3
   58273.1230  0.0088 -7.7119 3  117.2806164  5951614042014 7 3    2013 7 3      C-13-H3C(O)CH3
   58313.0365  0.0051 -7.7713 3  164.1909424  59516140426 818 1    251115 1      C-13-H3C(O)CH3
   58314.3327  0.0051 -7.7712 3  164.1908424  59516140426 918 1    251015 1      C-13-H3C(O)CH3
   58319.5853  0.0091 -5.9720 3   95.9602296 -5951614041813 6 2    1812 6 2      C-13-H3C(O)CH3
   58333.1123  0.0029 -6.8224 3    6.3628 44  595161404 5 3 2 3     4 4 1 3      C-13-H3C(O)CH3
   58341.0209  0.0051 -7.7680 3  164.1885424  59516140426 818 2    251115 2      C-13-H3C(O)CH3
   58342.3767  0.0051 -7.7680 3  164.1885424  59516140426 918 2    251015 2      C-13-H3C(O)CH3
   58365.2950  0.0077 -7.3294 3   95.9817148  5951614041813 6 3    1812 6 3      C-13-H3C(O)CH3
   58374.7429  0.0059 -5.6188 3   59.7972116 -5951614041411 4 3    1410 5 3      C-13-H3C(O)CH3
   58379.1986  0.0037 -7.6224 3   88.8501312  59516140419 613 0    18 910 0      C-13-H3C(O)CH3
   58443.1518  0.0057 -8.0719 3  164.1901212  59516140426 818 4    251115 4      C-13-H3C(O)CH3
   58443.1666  0.0049 -8.0719 3  164.1901212  59516140426 818 3    251115 3      C-13-H3C(O)CH3
   58444.4575  0.0057 -8.0719 3  164.1901212  59516140426 918 4    251015 4      C-13-H3C(O)CH3
   58444.4811  0.0049 -8.0719 3  164.1901212  59516140426 918 3    251015 3      C-13-H3C(O)CH3
   58456.2226  0.0058 -7.9367 3  261.9863536  595161404331023 0    321320 0      C-13-H3C(O)CH3
   58456.2287  0.0058 -7.9367 3  261.9863536  595161404331123 0    321220 0      C-13-H3C(O)CH3
   58465.5810  0.0042 -7.6263 3   88.8773312  59516140419 613 1    18 910 1      C-13-H3C(O)CH3
   58496.4502  0.0084 -6.3035 3  117.2628328 -5951614042014 7 2    2013 7 2      C-13-H3C(O)CH3
   58497.9190  0.0041 -7.6230 3   88.8750312  59516140419 613 2    18 910 2      C-13-H3C(O)CH3
   58524.6077  0.0067 -7.9392 3  261.9685536  595161404331023 1    321320 1      C-13-H3C(O)CH3
   58524.6139  0.0067 -7.9392 3  261.9685536  595161404331123 1    321220 1      C-13-H3C(O)CH3
   58545.9201  0.0067 -7.9363 3  261.9664536  595161404331023 2    321320 2      C-13-H3C(O)CH3
   58545.9267  0.0067 -7.9363 3  261.9664536  595161404331123 2    321220 2      C-13-H3C(O)CH3
   58553.3098  0.0028 -7.7310 3   30.9791 92  59516140411 4 7 4    10 7 4 4      C-13-H3C(O)CH3
   58574.8028  0.0056 -6.6764 3    6.2835 88 -595161404 5 3 2 2     4 4 1 2      C-13-H3C(O)CH3
   58584.3467  0.0041 -7.9278 3   88.9023156  59516140419 613 3    18 910 3      C-13-H3C(O)CH3
   58584.3750  0.0051 -7.9278 3   88.9023156  59516140419 613 4    18 910 4      C-13-H3C(O)CH3
   58585.6898  0.0038 -7.6192 3   88.8432312  59516140419 713 0    18 810 0      C-13-H3C(O)CH3
   58599.2293  0.0045 -5.2021 3   76.8006264 -5951614041612 4 0    1611 5 0      C-13-H3C(O)CH3
   58614.4057  0.0063 -8.2398 3  261.9486268  595161404331023 3    321320 3      C-13-H3C(O)CH3
   58614.4123  0.0063 -8.2398 3  261.9486268  595161404331123 3    321220 3      C-13-H3C(O)CH3
   58614.6093  0.0067 -8.2398 3  261.9486268  595161404331023 4    321320 4      C-13-H3C(O)CH3
   58614.6158  0.0067 -8.2398 3  261.9486268  595161404331123 4    321220 4      C-13-H3C(O)CH3
   58615.2665  0.0026 -7.6303 3   67.0428124  5951614041511 4 3    1510 6 3      C-13-H3C(O)CH3
   58664.4091  0.0042 -7.6232 3   88.8707312  59516140419 713 1    18 810 1      C-13-H3C(O)CH3
   58687.5470  0.0046 -6.6837 3    6.2811 88 -595161404 5 3 2 1     4 4 1 1      C-13-H3C(O)CH3
   58702.0360  0.0042 -7.6198 3   88.8682312  59516140419 713 2    18 810 2      C-13-H3C(O)CH3
   58741.1914  0.0028 -8.2372 3    3.8277 36  595161404 4 3 1 3     4 0 4 3      C-13-H3C(O)CH3
   58746.8242  0.0066 -6.5672 3   59.7972116  5951614041411 3 3    1410 5 3      C-13-H3C(O)CH3
   58779.9552  0.0052 -7.9247 3   88.8958156  59516140419 713 4    18 810 4      C-13-H3C(O)CH3
   58781.5497  0.0042 -7.9248 3   88.8957156  59516140419 713 3    18 810 3      C-13-H3C(O)CH3
   58835.1919  0.0026 -8.2422 3    3.8277 36  595161404 4 3 1 4     4 0 4 4      C-13-H3C(O)CH3
   58862.3130  0.0028 -7.9289 3    3.7524 72  595161404 4 3 1 2     4 0 4 2      C-13-H3C(O)CH3
   58869.2599  0.0026 -7.9317 3    3.7529 72  595161404 4 3 1 1     4 0 4 1      C-13-H3C(O)CH3
   58870.7744  0.0033 -5.2658 3   59.7338232 -5951614041411 4 0    1410 5 0      C-13-H3C(O)CH3
   58889.6278  0.0066 -5.3013 3   76.8337264 -5951614041612 4 1    1611 5 1      C-13-H3C(O)CH3
   58913.7284  0.0029 -7.5580 3    6.8436 44  595161404 5 4 1 3     5 1 4 3      C-13-H3C(O)CH3
   58942.7984  0.0024 -7.9218 3    3.6778 72  595161404 4 3 1 0     4 0 4 0      C-13-H3C(O)CH3
   58946.4225  0.0073 -8.1801 3  382.2079648  595161404401328 0    391525 0      C-13-H3C(O)CH3
   58946.4226  0.0073 -8.1801 3  382.2079648  595161404401228 0    391425 0      C-13-H3C(O)CH3
   58946.6044  0.0067 -5.3039 3   76.8308264 -5951614041612 4 2    1611 5 2      C-13-H3C(O)CH3
   58948.2085  0.0035 -5.0717 3  124.4928344 -5951614042112 9 0    211110 0      C-13-H3C(O)CH3
   58951.6564  0.0089 -8.1721 3  382.1807648  595161404401228 1    391425 1      C-13-H3C(O)CH3
   58951.6564  0.0089 -8.1721 3  382.1807648  595161404401328 1    391525 1      C-13-H3C(O)CH3
   58965.7236  0.0088 -8.1510 3  382.1790648  595161404401228 2    391525 2      C-13-H3C(O)CH3
   58965.7236  0.0088 -8.1441 3  382.1790648  595161404401328 2    391425 2      C-13-H3C(O)CH3
   58976.6762  0.0036 -5.0718 3  124.5029344 -5951614042112 9 2    211110 2      C-13-H3C(O)CH3
   59104.1121  0.0036 -5.0707 3  124.5091344 -5951614042112 9 1    211110 1      C-13-H3C(O)CH3
   59111.0545  0.0030 -7.2595 3    6.7709 88  595161404 5 4 1 2     5 1 4 2      C-13-H3C(O)CH3
   59114.8793  0.0027 -7.2636 3    6.7715 88  595161404 5 4 1 1     5 1 4 1      C-13-H3C(O)CH3
   59126.3936  0.0039 -5.3719 3  124.5190172 -5951614042112 9 3    211110 3      C-13-H3C(O)CH3
   59142.6797  0.0054 -5.3717 3  124.5195172 -5951614042112 9 4    211110 4      C-13-H3C(O)CH3
   59153.5489  0.0012 -5.9772 3    1.8312 28 -595161404 3 3 0 3     2 2 1 3      C-13-H3C(O)CH3
   59156.0222  0.0025 -7.2450 3    6.6990 88  595161404 5 4 1 0     5 1 4 0      C-13-H3C(O)CH3
   59205.5240  0.0028 -7.5939 3    6.8437 44  595161404 5 4 1 4     5 1 4 4      C-13-H3C(O)CH3
   59238.5229  0.0079 -5.5743 3   76.8716132 -5951614041612 4 4    1611 5 4      C-13-H3C(O)CH3
   59245.1864  0.0016 -7.9314 3    5.7902 44  595161404 5 2 3 4     4 3 1 4      C-13-H3C(O)CH3
   59288.4393  0.0045 -7.0362 3    6.3321 44  595161404 5 3 2 4     4 4 1 4      C-13-H3C(O)CH3
   59289.9587  0.0014 -5.6712 3    1.6835 56 -595161404 3 3 0 0     2 2 1 0      C-13-H3C(O)CH3
   59292.5804  0.0055 -6.0372 3   67.0096248 -5951614041511 4 2    1510 6 2      C-13-H3C(O)CH3
   59310.3668  0.0031 -8.2598 3    5.7158 88  595161404 5 2 3 2     4 3 1 2      C-13-H3C(O)CH3
   59319.3251  0.0025 -8.1706 3    5.7166 88  595161404 5 2 3 1     4 3 1 1      C-13-H3C(O)CH3
   59354.3885  0.0058 -5.9976 3   67.0094248 -5951614041511 4 1    1510 6 1      C-13-H3C(O)CH3
   59388.1705  0.0028 -5.7574 3    1.7561 56 -595161404 3 3 0 2     2 2 1 2      C-13-H3C(O)CH3
   59412.1142  0.0026 -5.7725 3    1.7561 56 -595161404 3 3 0 1     2 2 1 1      C-13-H3C(O)CH3
   59456.1653  0.0016 -5.4521 3   63.2286124 -59516140415 9 7 4    15 8 8 4      C-13-H3C(O)CH3
   59470.9664  0.0123 -6.2740 3   53.0848108 -5951614041311 3 3    1310 3 3      C-13-H3C(O)CH3
   59483.3986  0.0014 -5.4517 3   63.2287124 -59516140415 9 7 3    15 8 8 3      C-13-H3C(O)CH3
   59515.7598  0.0034 -7.7839 3   10.4417 52  595161404 6 5 2 4     6 2 4 4      C-13-H3C(O)CH3
   59547.0709  0.0013 -5.1494 3   63.1918248 -59516140415 9 7 1    15 8 8 1      C-13-H3C(O)CH3
   59551.5436  0.0014 -5.1491 3   63.1899248 -59516140415 9 7 2    15 8 8 2      C-13-H3C(O)CH3
   59561.9267  0.0014 -5.4261 3   72.7706132 -5951614041610 7 4    16 9 8 4      C-13-H3C(O)CH3
   59570.2690  0.0019 -5.5305 3   45.8766108 -59516140413 6 7 3    13 5 8 3      C-13-H3C(O)CH3
   59577.6430  0.0026 -5.5303 3   45.8767108 -59516140413 6 7 4    13 5 8 4      C-13-H3C(O)CH3
   59583.4993  0.0065 -5.4490 3   95.9817148 -5951614041813 5 3    1812 6 3      C-13-H3C(O)CH3
   59606.4407  0.0021 -5.2281 3   45.8275216 -59516140413 6 7 2    13 5 8 2      C-13-H3C(O)CH3
   59618.6987  0.0014 -5.4249 3   72.7709132 -5951614041610 7 3    16 9 8 3      C-13-H3C(O)CH3
   59622.5059  0.0174 -7.1586 3   69.0421124  5951614041512 4 4    1511 4 4      C-13-H3C(O)CH3
   59628.7741  0.0013 -5.1477 3   63.1531248 -59516140415 9 7 0    15 8 8 0      C-13-H3C(O)CH3
   59636.1909  0.0021 -5.2280 3   45.8288216 -59516140413 6 7 1    13 5 8 1      C-13-H3C(O)CH3
   59668.6977  0.0020 -5.2268 3   45.7798216 -59516140413 6 7 0    13 5 8 0      C-13-H3C(O)CH3
   59678.0446  0.0013 -5.1229 3   72.7394264 -5951614041610 7 1    16 9 8 1      C-13-H3C(O)CH3
   59686.3674  0.0072 -5.7822 3   53.0848108 -5951614041311 2 3    1310 3 3      C-13-H3C(O)CH3
   59700.9498  0.0014 -5.1224 3   72.7371264 -5951614041610 7 2    16 9 8 2      C-13-H3C(O)CH3
   59717.9983  0.0046 -5.6615 3   53.0057108 -5951614041311 3 4    1310 4 4      C-13-H3C(O)CH3
   59745.3391  0.0031 -6.2324 3    1.8268 28 -595161404 3 3 0 4     2 2 1 4      C-13-H3C(O)CH3
   59788.5981  0.0012 -5.1208 3   72.7058264 -5951614041610 7 0    16 9 8 0      C-13-H3C(O)CH3
   59947.8742  0.0019 -5.4804 3   54.2650116 -59516140414 8 7 4    14 7 8 4      C-13-H3C(O)CH3
   59960.1348  0.0014 -5.4802 3   54.2650116 -59516140414 8 7 3    14 7 8 3      C-13-H3C(O)CH3
   60023.9715  0.0015 -5.1776 3   54.2211232 -59516140414 8 7 2    14 7 8 2      C-13-H3C(O)CH3
   60029.7105  0.0015 -5.1778 3   54.2227232 -59516140414 8 7 1    14 7 8 1      C-13-H3C(O)CH3
   60031.4861  0.0089 -5.9594 3   59.7589232 -5951614041411 3 2    1410 5 2      C-13-H3C(O)CH3
   60077.4760  0.0042 -5.3628 3   53.0027216 -5951614041311 3 1    1310 4 1      C-13-H3C(O)CH3
   60099.6698  0.0015 -5.1761 3   54.1790232 -59516140414 8 7 0    14 7 8 0      C-13-H3C(O)CH3
   60130.3865  0.0040 -5.3540 3   53.0197216 -5951614041311 2 0    1310 3 0      C-13-H3C(O)CH3
   60132.1862  0.0091 -6.0000 3   59.7554232 -5951614041411 3 1    1410 5 1      C-13-H3C(O)CH3
   60154.5382  0.0040 -5.3642 3   53.0094216 -5951614041311 3 2    1310 4 2      C-13-H3C(O)CH3
   60158.2295  0.0040 -7.7723 3   10.3724104  595161404 6 5 2 1     6 2 4 1      C-13-H3C(O)CH3
   60161.0809  0.0054 -5.6576 3   53.1399108 -5951614041311 2 4    1310 3 4      C-13-H3C(O)CH3
   60164.2453  0.0048 -5.1352 3   95.9388296 -5951614041813 5 0    1812 6 0      C-13-H3C(O)CH3
   60175.6491  0.0097 -6.1913 3   67.0349124 -5951614041511 4 4    1510 6 4      C-13-H3C(O)CH3
   60188.3789  0.0076 -5.7755 3   53.0609108 -5951614041311 3 3    1310 4 3      C-13-H3C(O)CH3
   60209.5442  0.0044 -5.3620 3   53.0762216 -5951614041311 2 1    1310 3 1      C-13-H3C(O)CH3
   60248.1098  0.0048 -7.8293 3   10.3716104  595161404 6 5 2 2     6 2 4 2      C-13-H3C(O)CH3
   60268.9210  0.0074 -5.2131 3   95.9645296 -5951614041813 5 1    1812 6 1      C-13-H3C(O)CH3
   60308.2108  0.0044 -5.3632 3   53.0751216 -5951614041311 2 2    1310 3 2      C-13-H3C(O)CH3
   60341.1333  0.0074 -5.2054 3   95.9602296 -5951614041813 5 2    1812 6 2      C-13-H3C(O)CH3
   60403.8084  0.0117 -6.2613 3   53.0609108 -5951614041311 2 3    1310 4 3      C-13-H3C(O)CH3
   60426.1157  0.0071 -5.4031 3  117.2806164 -5951614042014 6 3    2013 7 3      C-13-H3C(O)CH3
   60553.6580  0.0018 -5.3996 3   82.8947140 -5951614041711 7 4    1710 8 4      C-13-H3C(O)CH3
   60563.6322  0.0008 -5.7392 3    4.8234 44 -595161404 5 1 4 3     4 2 3 3      C-13-H3C(O)CH3
   60565.2572  0.0066 -5.3679 3  194.2226212 -5951614042617 9 3    261610 3      C-13-H3C(O)CH3
   60570.2407  0.0008 -5.7391 3    4.8233 44 -595161404 5 1 4 4     4 2 3 4      C-13-H3C(O)CH3
   60582.2147  0.0009 -5.4382 3    4.7501 88 -595161404 5 1 4 2     4 2 3 2      C-13-H3C(O)CH3
   60585.7128  0.0009 -5.4380 3    4.7506 88 -595161404 5 1 4 1     4 2 3 1      C-13-H3C(O)CH3
   60600.9928  0.0009 -5.4380 3    4.6776 88 -595161404 5 1 4 0     4 2 3 0      C-13-H3C(O)CH3
   60635.6069  0.0075 -5.3695 3  194.2225212 -5951614042617 9 4    261610 4      C-13-H3C(O)CH3
   60644.3599  0.0095 -5.5230 3   95.9902148 -5951614041813 5 4    1812 6 4      C-13-H3C(O)CH3
   60644.8576  0.0060 -5.0668 3  194.2311424 -5951614042617 9 1    261610 1      C-13-H3C(O)CH3
   60660.6139  0.0072 -5.3680 3  166.4031196 -5951614042416 8 3    2415 9 3      C-13-H3C(O)CH3
   60669.5163  0.0014 -5.3962 3   82.8953140 -5951614041711 7 3    1710 8 3      C-13-H3C(O)CH3
   60711.0299  0.0075 -5.3781 3  140.7546180 -5951614042215 7 3    2214 8 3      C-13-H3C(O)CH3
   60721.4419  0.0015 -5.0948 3   82.8691280 -5951614041711 7 1    1710 8 1      C-13-H3C(O)CH3
   60735.8219  0.0020 -5.5153 3   45.8799108 -59516140413 7 7 4    13 6 8 4      C-13-H3C(O)CH3
   60739.8130  0.0038 -5.3458 3   52.9981216 -5951614041311 3 0    1310 4 0      C-13-H3C(O)CH3
   60740.7263  0.0015 -5.5152 3   45.8799108 -59516140413 7 7 3    13 6 8 3      C-13-H3C(O)CH3
   60748.9142  0.0071 -5.3740 3  224.2075228 -595161404281810 3    281711 3      C-13-H3C(O)CH3
   60749.8899  0.0060 -5.0731 3  224.2228456 -595161404281810 1    281711 1      C-13-H3C(O)CH3
   60762.1051  0.0070 -5.3743 3  224.2072228 -595161404281810 4    281711 4      C-13-H3C(O)CH3
   60771.9870  0.0016 -5.0940 3   82.8666280 -5951614041711 7 2    1710 8 2      C-13-H3C(O)CH3
   60808.9948  0.0017 -5.2125 3   45.8310216 -59516140413 7 7 2    13 6 8 2      C-13-H3C(O)CH3
   60818.4917  0.0016 -5.2127 3   45.8322216 -59516140413 7 7 1    13 6 8 1      C-13-H3C(O)CH3
   60838.2266  0.0065 -5.0685 3  166.4046392 -5951614042416 8 1    2415 9 1      C-13-H3C(O)CH3
   60852.7522  0.0082 -5.3758 3  166.4034196 -5951614042416 8 4    2415 9 4      C-13-H3C(O)CH3
   60875.5432  0.0057 -5.0638 3  194.2180424 -5951614042617 9 2    261610 2      C-13-H3C(O)CH3
   60882.0587  0.0014 -5.0919 3   82.8407280 -5951614041711 7 0    1710 8 0      C-13-H3C(O)CH3
   60889.1556  0.0066 -5.4831 3   84.9146140 -5951614041712 6 4    1711 7 4      C-13-H3C(O)CH3
   60889.1556  0.0016 -5.2110 3   45.7833216 -59516140413 7 7 0    13 6 8 0      C-13-H3C(O)CH3
   60893.5561  0.0035 -5.0424 3  162.7294392 -595161404241410 0    241311 0      C-13-H3C(O)CH3
   60906.1912  0.0074 -5.1330 3  117.2691328 -5951614042014 6 1    2013 7 1      C-13-H3C(O)CH3
   60915.8854  0.0058 -5.0630 3  194.2267424 -5951614042617 9 0    261610 0      C-13-H3C(O)CH3
   60921.0799  0.0035 -5.0424 3  162.7271392 -595161404241410 2    241311 2      C-13-H3C(O)CH3
   60963.4079  0.0059 -5.0707 3  224.2234456 -595161404281810 0    281711 0      C-13-H3C(O)CH3
   60972.9375  0.0058 -5.0706 3  224.2078456 -595161404281810 2    281711 2      C-13-H3C(O)CH3
   61008.0058  0.0051 -5.0930 3  117.2494328 -5951614042014 6 0    2013 7 0      C-13-H3C(O)CH3
   61016.5128  0.0069 -5.0862 3  140.7494360 -5951614042215 7 1    2214 8 1      C-13-H3C(O)CH3
   61022.6474  0.0072 -5.1226 3  117.2628328 -5951614042014 6 2    2013 7 2      C-13-H3C(O)CH3
   61051.7976  0.0061 -5.0643 3  166.3937392 -5951614042416 8 2    2415 9 2      C-13-H3C(O)CH3
   61056.8140  0.0037 -5.0414 3  162.7355392 -595161404241410 1    241311 1      C-13-H3C(O)CH3
   61083.6575  0.0043 -5.3424 3  162.7331196 -595161404241410 3    241311 3      C-13-H3C(O)CH3
   61089.0918  0.0056 -5.3423 3  162.7336196 -595161404241410 4    241311 4      C-13-H3C(O)CH3
   61126.3808  0.0056 -5.0615 3  166.3953392 -5951614042416 8 0    2415 9 0      C-13-H3C(O)CH3
   61133.2643  0.0095 -5.4047 3  140.7562180 -5951614042215 7 4    2214 8 4      C-13-H3C(O)CH3
   61179.9867  0.0102 -5.4611 3  117.2846164 -5951614042014 6 4    2013 7 4      C-13-H3C(O)CH3
   61182.4801  0.0017 -5.5672 3   38.0751100 -59516140412 5 7 3    12 4 8 3      C-13-H3C(O)CH3
   61185.5553  0.0023 -5.5672 3   38.0751100 -59516140412 5 7 4    12 4 8 4      C-13-H3C(O)CH3
   61188.7637  0.0067 -5.0793 3  140.7409360 -5951614042215 7 2    2214 8 2      C-13-H3C(O)CH3
   61248.5510  0.0020 -5.2645 3   38.0209200 -59516140412 5 7 2    12 4 8 2      C-13-H3C(O)CH3
   61255.7635  0.0053 -5.0701 3  140.7350360 -5951614042215 7 0    2214 8 0      C-13-H3C(O)CH3
   61265.3737  0.0019 -5.2646 3   38.0219200 -59516140412 5 7 1    12 4 8 1      C-13-H3C(O)CH3
   61329.8381  0.0019 -5.2629 3   37.9678200 -59516140412 5 7 0    12 4 8 0      C-13-H3C(O)CH3
   61337.3400  0.0060 -5.5462 3   76.6675132 -5951614041612 5 4    1611 6 4      C-13-H3C(O)CH3
   61415.2375  0.0008 -5.7214 3    4.8000 44 -595161404 5 2 4 4     4 1 3 4      C-13-H3C(O)CH3
   61421.3199  0.0009 -5.7214 3    4.7999 44 -595161404 5 2 4 3     4 1 3 3      C-13-H3C(O)CH3
   61447.9894  0.0010 -5.4200 3    4.7269 88 -595161404 5 2 4 1     4 1 3 1      C-13-H3C(O)CH3
   61452.1305  0.0032 -5.0942 3   80.6177280 -59516140417 9 8 2    17 8 9 2      C-13-H3C(O)CH3
   61452.3980  0.0010 -5.4201 3    4.7262 88 -595161404 5 2 4 2     4 1 3 2      C-13-H3C(O)CH3
   61463.5965  0.0029 -5.0936 3   80.5893280 -59516140417 9 8 0    17 8 9 0      C-13-H3C(O)CH3
   61472.7746  0.0069 -5.0827 3  256.3715488 -595161404301911 1    301812 1      C-13-H3C(O)CH3
   61482.0218  0.0010 -5.4197 3    4.6534 88 -595161404 5 2 4 0     4 1 3 0      C-13-H3C(O)CH3
   61486.6176  0.0138 -6.5560 3   59.7694116  5951614041411 3 4    1410 5 4      C-13-H3C(O)CH3
   61489.5844  0.0035 -5.0887 3  272.2078504 -595161404311912 0    311813 0      C-13-H3C(O)CH3
   61512.2657  0.0032 -5.3953 3   80.6491140 -59516140417 9 8 3    17 8 9 3      C-13-H3C(O)CH3
   61513.6289  0.0080 -5.0887 3  272.1984504 -595161404311912 1    311813 1      C-13-H3C(O)CH3
   61519.0953  0.0063 -5.3833 3  256.3496244 -595161404301911 4    301812 4      C-13-H3C(O)CH3
   61525.2279  0.0041 -5.1438 3   84.8945280 -5951614041712 6 1    1711 7 1      C-13-H3C(O)CH3
   61530.7190  0.0041 -5.3950 3   80.6493140  59516140417 9 8 4    17 8 9 4      C-13-H3C(O)CH3
   61531.1149  0.0095 -5.3832 3  256.3498244  595161404301911 3    301812 3      C-13-H3C(O)CH3
   61531.6598  0.0067 -5.0882 3  272.1827504 -595161404311912 2    311813 2      C-13-H3C(O)CH3
   61532.2035  0.0031 -5.0935 3   80.6207280 -59516140417 9 8 1    17 8 9 1      C-13-H3C(O)CH3
   61541.2558  0.0027 -5.3893 3  272.1736252 -595161404311912 4    311813 4      C-13-H3C(O)CH3
   61560.2760  0.0047 -8.1771 3   34.7065 92  59516140411 7 4 4    11 6 6 4      C-13-H3C(O)CH3
   61567.1059  0.0137 -5.3891 3  272.1733252  595161404311912 3    311813 3      C-13-H3C(O)CH3
   61582.0189  0.0021 -5.5621 3   38.0760100 -59516140412 6 7 4    12 5 8 4      C-13-H3C(O)CH3
   61583.6410  0.0016 -5.5620 3   38.0759100 -59516140412 6 7 3    12 5 8 3      C-13-H3C(O)CH3
   61609.9094  0.0058 -5.0813 3  256.3770488 -595161404301911 0    301812 0      C-13-H3C(O)CH3
   61645.6674  0.0122 -6.3861 3   68.9892248 -5951614041512 4 1    1511 4 1      C-13-H3C(O)CH3
   61661.6113  0.0018 -5.2592 3   38.0218200 -59516140412 6 7 2    12 5 8 2      C-13-H3C(O)CH3
   61666.0179  0.0065 -5.0807 3  256.3552488 -595161404301911 2    301812 2      C-13-H3C(O)CH3
   61666.4965  0.0025 -5.4116 3   84.9190140 -5951614041712 6 3    1711 7 3      C-13-H3C(O)CH3
   61670.8932  0.0018 -5.2594 3   38.0227200 -59516140412 6 7 1    12 5 8 1      C-13-H3C(O)CH3
   61687.8822  0.0040 -5.1353 3   84.8937280 -5951614041712 6 2    1711 7 2      C-13-H3C(O)CH3
   61749.5975  0.0018 -5.2575 3   37.9687200 -59516140412 6 7 0    12 5 8 0      C-13-H3C(O)CH3
   61753.1746  0.0049 -5.7882 3   46.7822100 -5951614041211 2 4    1210 3 4      C-13-H3C(O)CH3
   61762.4706  0.0183 -7.0925 3   46.8574100  5951614041211 2 3    1210 2 3      C-13-H3C(O)CH3
   61802.9223  0.0029 -7.1927 3   10.4415 52  595161404 6 5 1 3     6 2 4 3      C-13-H3C(O)CH3
   61933.9121  0.0050 -5.8088 3   46.8574100 -5951614041211 1 3    1210 2 3      C-13-H3C(O)CH3
   61988.3192  0.0125 -6.2958 3   68.9874248 -5951614041512 4 2    1511 4 2      C-13-H3C(O)CH3
   61994.6854  0.0031 -7.4486 3   56.1837248  59516140415 510 0    14 8 7 0      C-13-H3C(O)CH3
   62004.0689  0.0054 -5.8081 3   46.8494100 -5951614041211 2 3    1210 3 3      C-13-H3C(O)CH3
   62006.7720  0.0010 -5.4864 3    5.5755 52 -595161404 6 0 6 3     5 1 5 3      C-13-H3C(O)CH3
   62006.7720  0.0010 -5.4864 3    5.5755 52 -595161404 6 0 6 4     5 1 5 4      C-13-H3C(O)CH3
   62009.6637  0.0010 -5.4864 3    5.5754 52 -595161404 6 1 6 4     5 0 5 4      C-13-H3C(O)CH3
   62009.6637  0.0010 -5.4864 3    5.5754 52 -595161404 6 1 6 3     5 0 5 3      C-13-H3C(O)CH3
   62014.4667  0.0011 -5.1852 3    5.5005104 -595161404 6 0 6 2     5 1 5 2      C-13-H3C(O)CH3
   62014.4667  0.0012 -5.1852 3    5.5010104 -595161404 6 0 6 1     5 1 5 1      C-13-H3C(O)CH3
   62017.4318  0.0012 -5.1852 3    5.5009104 -595161404 6 1 6 1     5 0 5 1      C-13-H3C(O)CH3
   62017.4318  0.0011 -5.1852 3    5.5004104 -595161404 6 1 6 2     5 0 5 2      C-13-H3C(O)CH3
   62022.1589  0.0011 -5.1850 3    5.4262104 -595161404 6 0 6 0     5 1 5 0      C-13-H3C(O)CH3
   62025.1993  0.0011 -5.1849 3    5.4261104 -595161404 6 1 6 0     5 0 5 0      C-13-H3C(O)CH3
   62039.2958  0.0024 -5.1049 3   84.8715280 -5951614041712 6 0    1711 7 0      C-13-H3C(O)CH3
   62067.0214  0.0035 -7.4529 3   56.2251248  59516140415 510 1    14 8 7 1      C-13-H3C(O)CH3
   62070.5978  0.0053 -5.2602 3   76.6540264 -5951614041612 5 1    1611 6 1      C-13-H3C(O)CH3
   62086.1492  0.0045 -5.4839 3   46.7823200 -5951614041211 2 1    1210 3 1      C-13-H3C(O)CH3
   62086.6952  0.0034 -7.4499 3   56.2233248  59516140415 510 2    14 8 7 2      C-13-H3C(O)CH3
   62139.9956  0.0042 -5.4834 3   46.7903200 -5951614041211 2 2    1210 3 2      C-13-H3C(O)CH3
   62142.3664  0.0031 -6.8828 3   10.3025104  595161404 6 5 1 0     6 2 4 0      C-13-H3C(O)CH3
   62152.3163  0.0034 -7.7554 3   56.2651124  59516140415 510 3    14 8 7 3      C-13-H3C(O)CH3
   62165.6324  0.0041 -7.7552 3   56.2647124  59516140415 510 4    14 8 7 4      C-13-H3C(O)CH3
   62175.5054  0.0177 -7.0869 3   46.8494100  5951614041211 1 3    1210 3 3      C-13-H3C(O)CH3
   62187.8970  0.0054 -5.7845 3   46.9246100 -5951614041211 1 4    1210 2 4      C-13-H3C(O)CH3
   62204.3670  0.0039 -6.9388 3   10.3716104  595161404 6 5 1 2     6 2 4 2      C-13-H3C(O)CH3
   62206.4276  0.0037 -6.9478 3   10.3724104  595161404 6 5 1 1     6 2 4 1      C-13-H3C(O)CH3
   62227.6699  0.0017 -5.6287 3   30.8565 92 -59516140411 4 7 3    11 3 8 3      C-13-H3C(O)CH3
   62228.7579  0.0022 -5.6287 3   30.8565 92 -59516140411 4 7 4    11 3 8 4      C-13-H3C(O)CH3
   62256.3198  0.0050 -7.7597 3  204.0214472  59516140429 920 0    281217 0      C-13-H3C(O)CH3
   62256.5280  0.0050 -7.7597 3  204.0214472  595161404291020 0    281117 0      C-13-H3C(O)CH3
   62257.4769  0.0056 -5.2612 3   76.6560264 -5951614041612 5 2    1611 6 2      C-13-H3C(O)CH3
   62279.0726  0.0120 -6.9176 3   53.0094216  5951614041311 2 2    1310 4 2      C-13-H3C(O)CH3
   62280.6743  0.0045 -5.4822 3   46.8570200 -5951614041211 1 1    1210 2 1      C-13-H3C(O)CH3
   62305.4983  0.0040 -7.5995 3  118.8513360  59516140422 715 0    211012 0      C-13-H3C(O)CH3
   62313.6049  0.0020 -5.3258 3   30.7971184 -59516140411 4 7 2    11 3 8 2      C-13-H3C(O)CH3
   62323.1686  0.0020 -5.3259 3   30.7979184 -59516140411 4 7 1    11 3 8 1      C-13-H3C(O)CH3
   62342.6238  0.0040 -7.5990 3  118.8501360  59516140422 815 0    21 912 0      C-13-H3C(O)CH3
   62342.9210  0.0057 -7.7626 3  204.0134472  59516140429 920 1    281217 1      C-13-H3C(O)CH3
   62343.1246  0.0057 -7.7626 3  204.0134472  595161404291020 1    281117 1      C-13-H3C(O)CH3
   62343.8239  0.0022 -5.6272 3   30.8566 92 -59516140411 5 7 4    11 4 8 4      C-13-H3C(O)CH3
   62344.2094  0.0017 -5.6272 3   30.8566 92 -59516140411 5 7 3    11 4 8 3      C-13-H3C(O)CH3
   62369.0677  0.0057 -7.7595 3  204.0110472  59516140429 920 2    281217 2      C-13-H3C(O)CH3
   62369.2822  0.0057 -7.7595 3  204.0110472  595161404291020 2    281117 2      C-13-H3C(O)CH3
   62377.8874  0.0044 -5.4814 3   46.8580200 -5951614041211 1 2    1210 2 2      C-13-H3C(O)CH3
   62396.0955  0.0044 -7.6031 3  118.8668360  59516140422 715 1    211012 1      C-13-H3C(O)CH3
   62408.4550  0.0020 -5.3240 3   30.7387184 -59516140411 4 7 0    11 3 8 0      C-13-H3C(O)CH3
   62412.4906  0.0120 -7.0050 3   53.0027216  5951614041311 2 1    1310 4 1      C-13-H3C(O)CH3
   62420.9175  0.0042 -5.4803 3   46.7922200  5951614041211 1 0    1210 2 0      C-13-H3C(O)CH3
   62428.8472  0.0044 -7.5998 3  118.8644360  59516140422 715 2    211012 2      C-13-H3C(O)CH3
   62431.8316  0.0044 -7.6026 3  118.8656360  59516140422 815 1    21 912 1      C-13-H3C(O)CH3
   62433.8336  0.0020 -5.3242 3   30.7973184 -59516140411 5 7 2    11 4 8 2      C-13-H3C(O)CH3
   62441.0649  0.0020 -5.3244 3   30.7980184 -59516140411 5 7 1    11 4 8 1      C-13-H3C(O)CH3
   62455.8114  0.0054 -8.0633 3  204.0030236  59516140429 920 3    281217 3      C-13-H3C(O)CH3
   62455.9086  0.0060 -8.0633 3  204.0030236  59516140429 920 4    281217 4      C-13-H3C(O)CH3
   62456.0214  0.0054 -8.0633 3  204.0029236  595161404291020 3    281117 3      C-13-H3C(O)CH3
   62456.1173  0.0060 -8.0633 3  204.0030236  595161404291020 4    281117 4      C-13-H3C(O)CH3
   62465.7821  0.0044 -7.5992 3  118.8632360  59516140422 815 2    21 912 2      C-13-H3C(O)CH3
   62518.7023  0.0045 -5.4692 3   76.6841132 -5951614041612 5 3    1611 6 3      C-13-H3C(O)CH3
   62519.4193  0.0054 -7.9043 3  118.8800180  59516140422 715 4    211012 4      C-13-H3C(O)CH3
   62519.6632  0.0044 -7.9044 3  118.8800180  59516140422 715 3    211012 3      C-13-H3C(O)CH3
   62522.3795  0.0042 -5.4790 3   46.7887200 -5951614041211 2 0    1210 3 0      C-13-H3C(O)CH3
   62525.8346  0.0038 -7.3197 3   10.4417 52  595161404 6 5 1 4     6 2 4 4      C-13-H3C(O)CH3
   62530.7650  0.0020 -5.3224 3   30.7389184 -59516140411 5 7 0    11 4 8 0      C-13-H3C(O)CH3
   62554.8106  0.0054 -7.9038 3  118.8788180  59516140422 815 4    21 912 4      C-13-H3C(O)CH3
   62555.3104  0.0044 -7.9038 3  118.8788180  59516140422 815 3    21 912 3      C-13-H3C(O)CH3
   62582.4104  0.0064 -7.9488 3  311.6339584  595161404361125 0    351422 0      C-13-H3C(O)CH3
   62582.4113  0.0064 -7.9488 3  311.6339584  595161404361225 0    351322 0      C-13-H3C(O)CH3
   62610.5354  0.0033 -5.0362 3  205.9788440 -595161404271611 0    271512 0      C-13-H3C(O)CH3
   62615.7721  0.0033 -5.3742 3   93.6091148 -5951614041812 7 4    1811 8 4      C-13-H3C(O)CH3
   62621.8131  0.0076 -7.9513 3  311.6106584  595161404361125 1    351422 1      C-13-H3C(O)CH3
   62621.8140  0.0076 -7.9513 3  311.6106584  595161404361225 1    351322 1      C-13-H3C(O)CH3
   62629.1268  0.0041 -5.0361 3  205.9656440 -595161404271611 2    271512 2      C-13-H3C(O)CH3
   62640.5521  0.0076 -7.9486 3  311.6086584  595161404361125 2    351422 2      C-13-H3C(O)CH3
   62640.5531  0.0076 -7.9486 3  311.6086584  595161404361225 2    351322 2      C-13-H3C(O)CH3
   62680.0038  0.0071 -8.2523 3  311.5852292  595161404361125 3    351422 3      C-13-H3C(O)CH3
   62680.0049  0.0071 -8.2523 3  311.5852292  595161404361225 3    351322 3      C-13-H3C(O)CH3
   62680.2174  0.0073 -8.2522 3  311.5852292  595161404361125 4    351422 4      C-13-H3C(O)CH3
   62680.2184  0.0073 -8.2522 3  311.5852292  595161404361225 4    351322 4      C-13-H3C(O)CH3
   62753.9156  0.0042 -5.0353 3  205.9765440 -595161404271611 1    271512 1      C-13-H3C(O)CH3
   62770.5805  0.0053 -5.3362 3  205.9637220 -595161404271611 4    271512 4      C-13-H3C(O)CH3
   62777.3830  0.0058 -5.3362 3  205.9632220 -595161404271611 3    271512 3      C-13-H3C(O)CH3
   62850.7266  0.0017 -5.3634 3   93.6104148 -5951614041812 7 3    1811 8 3      C-13-H3C(O)CH3
   62880.0363  0.0022 -5.0644 3   93.5893296 -5951614041812 7 1    1811 8 1      C-13-H3C(O)CH3
   62935.1489  0.0018 -5.7215 3   24.2258 84 -59516140410 3 7 3    10 2 8 3      C-13-H3C(O)CH3
   62935.4834  0.0022 -5.7214 3   24.2258 84 -59516140410 3 7 4    10 2 8 4      C-13-H3C(O)CH3
   62963.0318  0.0022 -5.7211 3   24.2258 84 -59516140410 4 7 4    10 3 8 4      C-13-H3C(O)CH3
   62963.0318  0.0018 -5.7211 3   24.2258 84 -59516140410 4 7 3    10 3 8 3      C-13-H3C(O)CH3
   62966.6575  0.0111 -6.1977 3   68.9980124  5951614041512 4 3    1511 4 3      C-13-H3C(O)CH3
   62968.4578  0.0021 -5.0626 3   93.5870296 -5951614041812 7 2    1811 8 2      C-13-H3C(O)CH3
   62988.7259  0.0031 -5.1464 3   76.6350264 -5951614041612 5 0    1611 6 0      C-13-H3C(O)CH3
   63026.9922  0.0029 -6.9289 3   74.7285264 -5951614041611 5 2    1610 7 2      C-13-H3C(O)CH3
   63035.1922  0.0022 -5.4183 3   24.1613168 -59516140410 3 7 2    10 2 8 2      C-13-H3C(O)CH3
   63037.3173  0.0034 -7.4285 3   20.0133 76  595161404 9 4 6 4     8 5 3 4      C-13-H3C(O)CH3
   63040.5686  0.0022 -5.4185 3   24.1619168 -59516140410 3 7 1    10 2 8 1      C-13-H3C(O)CH3
   63063.9678  0.0022 -5.4180 3   24.1613168 -59516140410 4 7 2    10 3 8 2      C-13-H3C(O)CH3
   63067.6405  0.0027 -6.8032 3   74.7300264 -5951614041611 5 1    1610 7 1      C-13-H3C(O)CH3
   63068.8060  0.0021 -5.4182 3   24.1619168 -59516140410 4 7 1    10 3 8 1      C-13-H3C(O)CH3
   63070.7655  0.0182 -6.5769 3   87.0916140  5951614041713 5 4    1712 5 4      C-13-H3C(O)CH3
   63095.3403  0.0031 -7.1214 3   19.9493152  595161404 9 4 6 1     8 5 3 1      C-13-H3C(O)CH3
   63096.4230  0.0032 -7.4270 3   20.0114 76  595161404 9 4 6 3     8 5 3 3      C-13-H3C(O)CH3
   63100.7962  0.0083 -5.0928 3  290.6676520 -595161404322012 1    321913 1      C-13-H3C(O)CH3
   63104.2861  0.0069 -8.0247 3   89.2474296  5951614041810 9 0    1713 4 0      C-13-H3C(O)CH3
   63105.9082  0.0099 -8.1805 3  441.6241696  595161404431330 2    421627 2      C-13-H3C(O)CH3
   63105.9082  0.0099 -8.1805 3  441.6241696  595161404431430 2    421527 2      C-13-H3C(O)CH3
   63118.3873  0.0017 -5.0587 3   93.5666296 -5951614041812 7 0    1811 8 0      C-13-H3C(O)CH3
   63120.0995  0.0140 -7.8333 3  240.9676236  595161404291911 4    291811 4      C-13-H3C(O)CH3
   63120.7609  0.0082 -8.1787 3  441.6532696  595161404431330 0    421627 0      C-13-H3C(O)CH3
   63120.7609  0.0082 -8.1810 3  441.6532696  595161404431430 0    421527 0      C-13-H3C(O)CH3
   63128.5575  0.0103 -7.7964 3  240.9859472  595161404291911 1    291811 1      C-13-H3C(O)CH3
   63140.3001  0.0022 -5.4164 3   24.0976168 -59516140410 3 7 0    10 2 8 0      C-13-H3C(O)CH3
   63141.1994  0.0032 -7.1171 3   19.9470152  595161404 9 4 6 2     8 5 3 2      C-13-H3C(O)CH3
   63148.3534  0.0014 -6.6529 3    1.3046 28 -595161404 3 2 1 3     2 1 2 3      C-13-H3C(O)CH3
   63160.7091  0.0055 -5.0922 3  290.6780520 -595161404322012 0    321913 0      C-13-H3C(O)CH3
   63168.8191  0.0026 -7.1119 3   19.8842152  595161404 9 4 6 0     8 5 3 0      C-13-H3C(O)CH3
   63169.6426  0.0022 -5.4161 3   24.0976168 -59516140410 4 7 0    10 3 8 0      C-13-H3C(O)CH3
   63172.7108  0.0055 -5.3930 3  290.6403260 -595161404322012 4    321913 4      C-13-H3C(O)CH3
   63183.7543  0.0049 -6.8740 3   76.6841132  5951614041612 4 3    1611 6 3      C-13-H3C(O)CH3
   63184.8683  0.0015 -6.6562 3    1.3045 28  595161404 3 2 1 4     2 1 2 4      C-13-H3C(O)CH3
   63193.2478  0.0126 -5.3929 3  290.6404260 -595161404322012 3    321913 3      C-13-H3C(O)CH3
   63203.6297  0.0014 -6.3499 3    1.2289 56 -595161404 3 2 1 2     2 1 2 2      C-13-H3C(O)CH3
   63212.4149  0.0014 -6.3507 3    1.2294 56 -595161404 3 2 1 1     2 1 2 1      C-13-H3C(O)CH3
   63235.4752  0.0079 -5.6226 3   68.9980124 -5951614041512 3 3    1511 4 3      C-13-H3C(O)CH3
   63246.5899  0.0072 -5.0913 3  290.6506520 -595161404322012 2    321913 2      C-13-H3C(O)CH3
   63248.0991  0.0053 -6.0492 3   41.0902 92 -5951614041111 1 4    1110 2 4      C-13-H3C(O)CH3
   63249.5233  0.0014 -6.3472 3    1.1539 56 -595161404 3 2 1 0     2 1 2 0      C-13-H3C(O)CH3
   63289.3687  0.0052 -8.0800 3  107.2763328  595161404201011 1    1913 6 1      C-13-H3C(O)CH3
   63301.4952  0.0052 -8.0708 3  107.2733328  595161404201011 2    1913 6 2      C-13-H3C(O)CH3
   63313.9715  0.0041 -8.0539 3  107.2567328  595161404201011 0    1913 6 0      C-13-H3C(O)CH3
   63381.0401  0.0050 -6.6680 3   74.7574132  5951614041611 5 4    1610 7 4      C-13-H3C(O)CH3
   63417.9689  0.0050 -6.0482 3   41.1684 92 -5951614041111 0 3    1110 1 3      C-13-H3C(O)CH3
   63429.2877  0.0023 -5.8663 3   18.1870 76 -595161404 9 2 7 4     9 1 8 4      C-13-H3C(O)CH3
   63429.2877  0.0019 -5.8663 3   18.1870 76 -595161404 9 2 7 3     9 1 8 3      C-13-H3C(O)CH3
   63434.4130  0.0019 -5.8662 3   18.1870 76 -595161404 9 3 7 3     9 2 8 3      C-13-H3C(O)CH3
   63434.4130  0.0023 -5.8662 3   18.1870 76 -595161404 9 3 7 4     9 2 8 4      C-13-H3C(O)CH3
   63470.2553  0.0054 -6.0478 3   41.1623 92 -5951614041111 1 3    1110 2 3      C-13-H3C(O)CH3
   63540.0214  0.0024 -5.5631 3   18.1175152 -595161404 9 2 7 2     9 1 8 2      C-13-H3C(O)CH3
   63542.7439  0.0023 -5.5633 3   18.1180152 -595161404 9 2 7 1     9 1 8 1      C-13-H3C(O)CH3
   63545.4091  0.0024 -5.5630 3   18.1175152 -595161404 9 3 7 2     9 2 8 2      C-13-H3C(O)CH3
   63548.0312  0.0023 -5.5632 3   18.1180152 -595161404 9 3 7 1     9 2 8 1      C-13-H3C(O)CH3
   63580.9436  0.0050 -5.7447 3   41.0924184 -5951614041111 1 1    1110 2 1      C-13-H3C(O)CH3
   63620.7542  0.0046 -5.7444 3   41.1012184 -5951614041111 1 2    1110 2 2      C-13-H3C(O)CH3
   63642.5017  0.0055 -6.0459 3   41.2407 92 -5951614041111 0 4    1110 1 4      C-13-H3C(O)CH3
   63653.3460  0.0024 -5.5611 3   18.0488152 -595161404 9 2 7 0     9 1 8 0      C-13-H3C(O)CH3
   63658.8414  0.0024 -5.5610 3   18.0488152 -595161404 9 3 7 0     9 2 8 0      C-13-H3C(O)CH3
   63679.5958  0.0048 -5.5241 3   68.9068124 -5951614041512 4 4    1511 5 4      C-13-H3C(O)CH3
   63704.9875  0.0041 -5.2132 3   68.9464248 -5951614041512 3 0    1511 4 0      C-13-H3C(O)CH3
   63753.2497  0.0047 -5.7434 3   41.1706184 -5951614041111 0 1    1110 1 1      C-13-H3C(O)CH3
   63776.2889  0.0020 -6.1354 3   12.7434 68 -595161404 8 1 7 3     8 0 8 3      C-13-H3C(O)CH3
   63776.2889  0.0024 -6.1354 3   12.7434 68 -595161404 8 1 7 4     8 0 8 4      C-13-H3C(O)CH3
   63776.9608  0.0020 -6.1353 3   12.7434 68 -595161404 8 2 7 3     8 1 8 3      C-13-H3C(O)CH3
   63776.9608  0.0024 -6.1353 3   12.7434 68 -595161404 8 2 7 4     8 1 8 4      C-13-H3C(O)CH3
   63844.9857  0.0046 -5.7425 3   41.1733184 -5951614041111 0 2    1110 1 2      C-13-H3C(O)CH3
   63895.6600  0.0026 -5.8320 3   12.6691136 -595161404 8 1 7 2     8 0 8 2      C-13-H3C(O)CH3
   63896.5008  0.0026 -5.8320 3   12.6691136 -595161404 8 2 7 2     8 1 8 2      C-13-H3C(O)CH3
   63896.5008  0.0026 -5.8322 3   12.6696136 -595161404 8 1 7 1     8 0 8 1      C-13-H3C(O)CH3
   63897.3000  0.0026 -5.8322 3   12.6696136 -595161404 8 2 7 1     8 1 8 1      C-13-H3C(O)CH3
   63921.3463  0.0048 -5.2424 3   68.9892248 -5951614041512 3 1    1511 4 1      C-13-H3C(O)CH3
   63933.7669  0.0059 -5.5227 3   69.0421124 -5951614041512 3 4    1511 4 4      C-13-H3C(O)CH3
   63949.1656  0.0045 -5.7411 3   41.1036184 -5951614041111 0 0    1110 1 0      C-13-H3C(O)CH3
   63960.1686  0.0045 -5.7409 3   41.1032184 -5951614041111 1 0    1110 2 0      C-13-H3C(O)CH3
   64015.7758  0.0026 -5.8299 3   12.5956136 -595161404 8 1 7 0     8 0 8 0      C-13-H3C(O)CH3
   64016.5055  0.0026 -5.8299 3   12.5956136  595161404 8 2 7 0     8 1 8 0      C-13-H3C(O)CH3
   64019.3704  0.0047 -5.2489 3   68.9874248 -5951614041512 3 2    1511 4 2      C-13-H3C(O)CH3
   64072.2987  0.0066 -7.5866 3   13.6112 60  595161404 7 5 3 4     6 6 0 4      C-13-H3C(O)CH3
   64098.9407  0.0042 -5.2393 3   68.9074248 -5951614041512 4 1    1511 5 1      C-13-H3C(O)CH3
   64184.2913  0.0161 -7.8008 3   53.0057108  5951614041311 2 4    1310 4 4      C-13-H3C(O)CH3
   64187.3132  0.0081 -5.7960 3   76.6560264 -5951614041612 4 2    1611 6 2      C-13-H3C(O)CH3
   64205.3909  0.0042 -5.2456 3   68.9135248 -5951614041512 4 2    1511 5 2      C-13-H3C(O)CH3
   64231.7312  0.0022 -7.9545 3   84.9190140  5951614041712 5 3    1711 7 3      C-13-H3C(O)CH3
   64254.4100  0.0141 -7.7783 3   61.7612232  5951614041412 3 1    1411 3 1      C-13-H3C(O)CH3
   64265.0622  0.0042 -7.5690 3   65.1763248  5951614041510 5 2    15 9 7 2      C-13-H3C(O)CH3
   64276.3020  0.0085 -5.8058 3   76.6540264  5951614041612 4 1    1611 6 1      C-13-H3C(O)CH3
   64327.5887  0.0037 -7.4358 3   65.1781248  5951614041510 5 1    15 9 7 1      C-13-H3C(O)CH3
   64372.3389  0.0080 -5.6083 3   68.9511124 -5951614041512 4 3    1511 5 3      C-13-H3C(O)CH3
   64421.9754  0.0056 -7.1882 3    9.6743 52  595161404 6 4 2 4     5 5 0 4      C-13-H3C(O)CH3
   64445.9806  0.0033 -5.0479 3  254.2274488 -595161404301812 0    301713 0      C-13-H3C(O)CH3
   64458.5442  0.0051 -5.0477 3  254.2050488 -595161404301812 2    301713 2      C-13-H3C(O)CH3
   64483.9368  0.0041 -7.2359 3   65.2119124  5951614041510 5 4    15 9 7 4      C-13-H3C(O)CH3
   64489.1561  0.0037 -7.0294 3   12.5274 60  595161404 7 4 4 4     6 5 1 4      C-13-H3C(O)CH3
   64551.1798  0.0056 -5.0472 3  254.2183488 -595161404301812 1    301713 1      C-13-H3C(O)CH3
   64555.7892  0.0047 -5.3481 3  254.1963244 -595161404301812 4    301713 4      C-13-H3C(O)CH3
   64563.2820  0.0144 -7.6829 3   61.7613232  5951614041412 3 2    1411 3 2      C-13-H3C(O)CH3
   64572.3497  0.0090 -5.3479 3  254.1959244 -595161404301812 3    301713 3      C-13-H3C(O)CH3
   64626.0612  0.0074 -8.0746 3   32.4981 92  59516140411 5 6 4    10 8 2 4      C-13-H3C(O)CH3
   64641.1867  0.0104 -6.1763 3   68.9511124  5951614041512 3 3    1511 5 3      C-13-H3C(O)CH3
   64650.8583  0.0041 -6.3076 3   84.8937280  5951614041712 5 2    1711 7 2      C-13-H3C(O)CH3
   64697.2512  0.0045 -6.2115 3   84.8945280  5951614041712 5 1    1711 7 1      C-13-H3C(O)CH3
   64811.2292  0.0117 -5.9523 3   87.0526280  5951614041713 5 1    1712 5 1      C-13-H3C(O)CH3
   64822.4248  0.0015 -5.6902 3    5.4613 88  595161404 5 2 3 0     4 3 2 0      C-13-H3C(O)CH3
   64838.1747  0.0020 -5.9884 3    5.6031 44  595161404 5 2 3 3     4 3 2 3      C-13-H3C(O)CH3
   64841.1742  0.0021 -5.6903 3    5.5314 88  595161404 5 2 3 2     4 3 2 2      C-13-H3C(O)CH3
   64873.0789  0.0019 -5.6892 3    5.5313 88 -595161404 5 2 3 1     4 3 2 1      C-13-H3C(O)CH3
   64896.4619  0.0062 -7.1748 3   13.5254120  595161404 7 5 3 1     6 6 0 1      C-13-H3C(O)CH3
   64906.9221  0.0033 -5.0184 3  112.0703328 -5951614042011 9 0    201010 0      C-13-H3C(O)CH3
   64911.0972  0.0067 -7.1637 3   13.5253120  595161404 7 5 3 2     6 6 0 2      C-13-H3C(O)CH3
   64915.6629  0.0037 -5.0187 3  112.0849328 -5951614042011 9 2    201010 2      C-13-H3C(O)CH3
   64922.2467  0.0057 -6.9400 3    9.5870104  595161404 6 4 2 2     5 5 0 2      C-13-H3C(O)CH3
   64926.1226  0.0036 -5.1979 3   68.9022248 -5951614041512 4 0    1511 5 0      C-13-H3C(O)CH3
   64937.6225  0.0033 -6.6438 3   12.4474120  595161404 7 4 4 1     6 5 1 1      C-13-H3C(O)CH3
   64942.6894  0.0055 -6.9304 3    9.5877104  595161404 6 4 2 1     5 5 0 1      C-13-H3C(O)CH3
   64944.8210  0.0018 -5.9920 3    5.6001 44  595161404 5 2 3 4     4 3 2 4      C-13-H3C(O)CH3
   64947.7811  0.0035 -6.6336 3   12.4465120  595161404 7 4 4 2     6 5 1 2      C-13-H3C(O)CH3
   65027.5551  0.0036 -5.0178 3  112.0894328 -5951614042011 9 1    201010 1      C-13-H3C(O)CH3
   65028.2933  0.0040 -5.3192 3  112.1040164 -5951614042011 9 3    201010 3      C-13-H3C(O)CH3
   65047.0246  0.0050 -5.3189 3  112.1042164 -5951614042011 9 4    201010 4      C-13-H3C(O)CH3
   65100.3462  0.0025 -5.0784 3   70.4779264 -59516140416 8 8 2    16 7 9 2      C-13-H3C(O)CH3
   65105.4831  0.0024 -5.3801 3   70.5139132  59516140416 8 8 3    16 7 9 3      C-13-H3C(O)CH3
   65116.4883  0.0033 -5.3800 3   70.5140132 -59516140416 8 8 4    16 7 9 4      C-13-H3C(O)CH3
   65128.0572  0.0019 -6.5728 3   12.3753120  595161404 7 4 4 0     6 5 1 0      C-13-H3C(O)CH3
   65141.7220  0.0023 -5.0775 3   70.4441264 -59516140416 8 8 0    16 7 9 0      C-13-H3C(O)CH3
   65152.0634  0.0024 -5.0781 3   70.4801264 -59516140416 8 8 1    16 7 9 1      C-13-H3C(O)CH3
   65175.7903  0.0116 -5.8866 3   87.0503280  5951614041713 5 2    1712 5 2      C-13-H3C(O)CH3
   65233.2629  0.0022 -6.8783 3   12.5031 60  595161404 7 4 4 3     6 5 1 3      C-13-H3C(O)CH3
   65239.5796  0.0063 -7.8609 3   32.4219184  59516140411 5 6 2    10 8 2 2      C-13-H3C(O)CH3
   65266.5193  0.0088 -6.2348 3   84.9146140  5951614041712 5 4    1711 7 4      C-13-H3C(O)CH3
   65268.9030  0.0064 -7.8417 3   32.4229184  59516140411 5 6 1    10 8 2 1      C-13-H3C(O)CH3
   65356.6775  0.0137 -6.1967 3   76.6675132  5951614041612 4 4    1611 6 4      C-13-H3C(O)CH3
   65361.6951  0.0044 -7.4004 3   56.1153248  59516140415 610 1    14 7 7 1      C-13-H3C(O)CH3
   65386.9866  0.0040 -7.3945 3   56.0707248  59516140415 610 0    14 7 7 0      C-13-H3C(O)CH3
   65399.3378  0.0055 -7.7036 3   56.1569124  59516140415 610 4    14 7 7 4      C-13-H3C(O)CH3
   65416.7521  0.0055 -7.6229 3   35.8939100  59516140412 5 8 4    11 6 5 4      C-13-H3C(O)CH3
   65416.7594  0.0043 -7.7035 3   56.1563124  59516140415 610 3    14 7 7 3      C-13-H3C(O)CH3
   65433.7427  0.0045 -7.3965 3   56.1118248  59516140415 610 2    14 7 7 2      C-13-H3C(O)CH3
   65446.2200  0.0046 -7.3180 3   35.8397200  59516140412 5 8 1    11 6 5 1      C-13-H3C(O)CH3
   65456.3615  0.0045 -7.6226 3   35.8926100  59516140412 5 8 3    11 6 5 3      C-13-H3C(O)CH3
   65498.4132  0.0145 -8.1616 3   63.9320248  59516140415 9 6 0    1412 3 0      C-13-H3C(O)CH3
   65531.3841  0.0047 -7.3135 3   35.8359200  59516140412 5 8 2    11 6 5 2      C-13-H3C(O)CH3
   65539.9908  0.0042 -7.3099 3   35.7826200  59516140412 5 8 0    11 6 5 0      C-13-H3C(O)CH3
   65553.8299  0.0075 -5.4635 3   95.6978148 -5951614041813 6 4    1812 7 4      C-13-H3C(O)CH3
   65570.2011  0.0042 -6.6012 3    9.4975104 -595161404 6 4 2 0     5 5 1 0      C-13-H3C(O)CH3
   65594.5210  0.0011 -5.8755 3    3.4121 36 -595161404 4 3 2 4     3 2 1 4      C-13-H3C(O)CH3
   65613.4935  0.0037 -6.7895 3   13.4406120  595161404 7 5 3 0     6 6 0 0      C-13-H3C(O)CH3
   65646.3842  0.0053 -7.8856 3    9.6311 52  595161404 6 4 2 3     5 5 0 3      C-13-H3C(O)CH3
   65717.6550  0.0012 -5.8603 3    3.4110 36 -595161404 4 3 2 3     3 2 1 3      C-13-H3C(O)CH3
   65757.3585  0.0016 -5.5623 3    3.3379 72 -595161404 4 3 2 1     3 2 1 1      C-13-H3C(O)CH3
   65774.0784  0.0057 -5.3598 3  104.9263156 -5951614041913 7 4    1912 8 4      C-13-H3C(O)CH3
   65780.4276  0.0018 -5.5612 3    3.3372 72 -595161404 4 3 2 2     3 2 1 2      C-13-H3C(O)CH3
   65807.2508  0.0179 -6.2048 3  107.3008156  5951614041914 6 4    1913 6 4      C-13-H3C(O)CH3
   65813.5530  0.0099 -6.3195 3   87.0616140  5951614041713 5 3    1712 5 3      C-13-H3C(O)CH3
   65826.0452  0.0075 -7.2537 3   13.5589 60  595161404 7 5 3 3     6 6 0 3      C-13-H3C(O)CH3
   65858.1716  0.0051 -5.1016 3  327.1154552 -595161404342113 0    342014 0      C-13-H3C(O)CH3
   65861.8142  0.0092 -5.1016 3  327.1007552 -595161404342113 1    342014 1      C-13-H3C(O)CH3
   65865.1039  0.0060 -6.9418 3    9.6238 52  595161404 6 4 2 3     5 5 1 3      C-13-H3C(O)CH3
   65882.0381  0.0016 -5.5564 3    3.2637 72 -595161404 4 3 2 0     3 2 1 0      C-13-H3C(O)CH3
   65938.6964  0.0048 -5.4017 3  327.0690276 -595161404342113 4    342014 4      C-13-H3C(O)CH3
   65948.4951  0.0073 -5.1006 3  327.0836552 -595161404342113 2    342014 2      C-13-H3C(O)CH3
   65959.8813  0.0146 -5.4016 3  327.0689276 -595161404342113 3    342014 3      C-13-H3C(O)CH3
   65986.0103  0.0079 -7.5813 3   13.5536 60  595161404 7 5 3 3     6 6 1 3      C-13-H3C(O)CH3
   66060.1708  0.0165 -6.4437 3   61.7568116  5951614041412 3 3    1411 3 3      C-13-H3C(O)CH3
   66099.5574  0.0134 -7.0498 3  209.8799220  595161404271810 4    271710 4      C-13-H3C(O)CH3
   66144.5879  0.0050 -5.5877 3   61.6808116 -5951614041412 3 4    1411 4 4      C-13-H3C(O)CH3
   66191.9136  0.0076 -5.4792 3   87.0616140 -5951614041713 4 3    1712 5 3      C-13-H3C(O)CH3
   66197.1008  0.0032 -5.0364 3  104.9127312 -5951614041913 7 1    1912 8 1      C-13-H3C(O)CH3
   66201.4223  0.0204 -7.8043 3   78.8476132  5951614041613 4 4    1612 4 4      C-13-H3C(O)CH3
   66209.2562  0.0016 -5.3209 3   91.4006148 -5951614041811 8 4    1810 9 4      C-13-H3C(O)CH3
   66227.3002  0.0120 -8.0731 3  209.8800220  595161404271810 3    271710 3      C-13-H3C(O)CH3
   66228.2670  0.0022 -5.3264 3  104.9287156 -5951614041913 7 3    1912 8 3      C-13-H3C(O)CH3
   66236.4398  0.0117 -6.2435 3   68.9135248 -5951614041512 3 2    1511 5 2      C-13-H3C(O)CH3
   66242.2463  0.0015 -5.3204 3   91.4008148 -5951614041811 8 3    1810 9 3      C-13-H3C(O)CH3
   66253.4209  0.0043 -7.5888 3  153.1480408  59516140425 817 0    241114 0      C-13-H3C(O)CH3
   66255.3482  0.0094 -7.1040 3  209.8921440  595161404271810 1    271710 1      C-13-H3C(O)CH3
   66259.6681  0.0043 -7.5887 3  153.1478408  59516140425 917 0    241014 0      C-13-H3C(O)CH3
   66260.9508  0.0061 -5.6521 3   61.7568116 -5951614041412 2 3    1411 3 3      C-13-H3C(O)CH3
   66267.1375  0.0076 -6.8637 3    9.5421104  595161404 6 4 2 2     5 5 1 2      C-13-H3C(O)CH3
   66290.1324  0.0056 -5.1410 3   95.6868296 -5951614041813 6 1    1812 7 1      C-13-H3C(O)CH3
   66296.9669  0.0014 -5.0184 3   91.3779296 -5951614041811 8 1    1810 9 1      C-13-H3C(O)CH3
   66310.7951  0.0014 -5.0181 3   91.3751296 -5951614041811 8 2    1810 9 2      C-13-H3C(O)CH3
   66324.0435  0.0055 -7.3227 3   32.3324184  59516140411 5 6 0    10 8 3 0      C-13-H3C(O)CH3
   66332.0779  0.0056 -7.7655 3  248.1415520  595161404321022 0    311319 0      C-13-H3C(O)CH3
   66332.1094  0.0056 -7.7655 3  248.1415520  595161404321122 0    311219 0      C-13-H3C(O)CH3
   66336.2029  0.0030 -5.0315 3  104.9109312 -5951614041913 7 2    1912 8 2      C-13-H3C(O)CH3
   66341.2453  0.0048 -7.5922 3  153.1524408  59516140425 817 1    241114 1      C-13-H3C(O)CH3
   66347.2799  0.0048 -7.5921 3  153.1522408  59516140425 917 1    241014 1      C-13-H3C(O)CH3
   66351.5480  0.0049 -7.4230 3   14.6031 60  595161404 7 6 2 4     7 3 4 4      C-13-H3C(O)CH3
   66372.6607  0.0048 -7.5889 3  153.1498408  59516140425 817 2    241114 2      C-13-H3C(O)CH3
   66374.6601  0.0120 -6.3275 3   68.9074248  5951614041512 3 1    1511 5 1      C-13-H3C(O)CH3
   66378.9415  0.0048 -7.5888 3  153.1496408  59516140425 917 2    241014 2      C-13-H3C(O)CH3
   66381.7510  0.0014 -5.0169 3   91.3523296 -5951614041811 8 0    1810 9 0      C-13-H3C(O)CH3
   66397.2800  0.0065 -7.7683 3  248.1255520  595161404321022 1    311319 1      C-13-H3C(O)CH3
   66397.3113  0.0065 -7.7683 3  248.1255520  595161404321122 1    311219 1      C-13-H3C(O)CH3
   66417.7880  0.0062 -6.8680 3    9.5384104  595161404 6 4 2 1     5 5 1 1      C-13-H3C(O)CH3
   66421.0621  0.0064 -7.7653 3  248.1232520  595161404321022 2    311319 2      C-13-H3C(O)CH3
   66421.0953  0.0064 -7.7653 3  248.1232520  595161404321122 2    311219 2      C-13-H3C(O)CH3
   66432.2296  0.0065 -5.6502 3   61.7444116 -5951614041412 3 3    1411 4 3      C-13-H3C(O)CH3
   66460.5559  0.0055 -7.8932 3  153.1543204  59516140425 817 4    241114 4      C-13-H3C(O)CH3
   66460.6680  0.0047 -7.8933 3  153.1542204  59516140425 817 3    241114 3      C-13-H3C(O)CH3
   66466.5965  0.0056 -7.8932 3  153.1541204  59516140425 917 4    241014 4      C-13-H3C(O)CH3
   66466.7476  0.0047 -7.8932 3  153.1540204  59516140425 917 3    241014 3      C-13-H3C(O)CH3
   66474.0902  0.0063 -7.9522 3   11.2840 52  595161404 6 6 1 4     6 3 3 4      C-13-H3C(O)CH3
   66478.6210  0.0044 -5.2844 3   61.6870232 -5951614041412 3 1    1411 4 1      C-13-H3C(O)CH3
   66481.6362  0.0067 -7.0222 3   13.4729120  595161404 7 5 3 2     6 6 1 2      C-13-H3C(O)CH3
   66486.3573  0.0060 -8.0691 3  248.1072260  595161404321022 3    311319 3      C-13-H3C(O)CH3
   66486.3903  0.0060 -8.0691 3  248.1072260  595161404321122 3    311219 3      C-13-H3C(O)CH3
   66486.5232  0.0065 -8.0691 3  248.1072260  595161404321022 4    311319 4      C-13-H3C(O)CH3
   66486.5560  0.0065 -8.0691 3  248.1072260  595161404321122 4    311219 4      C-13-H3C(O)CH3
   66499.3167  0.0056 -5.1317 3   95.6874296 -5951614041813 6 2    1812 7 2      C-13-H3C(O)CH3
   66541.5318  0.0041 -5.2842 3   61.6953232 -5951614041412 3 2    1411 4 2      C-13-H3C(O)CH3
   66552.3676  0.0057 -5.5845 3   61.8204116 -5951614041412 2 4    1411 3 4      C-13-H3C(O)CH3
   66554.9104  0.0022 -5.0211 3  104.8962312 -5951614041913 7 0    1912 8 0      C-13-H3C(O)CH3
   66567.4658  0.0019 -5.3359 3   80.6743140 -5951614041710 8 4    17 9 9 4      C-13-H3C(O)CH3
   66584.0066  0.0015 -5.3357 3   80.6743140 -5951614041710 8 3    17 9 9 3      C-13-H3C(O)CH3
   66598.0376  0.0035 -7.4232 3   80.6156296  59516140418 612 0    17 9 9 0      C-13-H3C(O)CH3
   66604.7627  0.0037 -5.3650 3   95.7068148 -5951614041813 6 3    1812 7 3      C-13-H3C(O)CH3
   66614.2990  0.0054 -7.0120 3   13.4681120  595161404 7 5 3 1     6 6 1 1      C-13-H3C(O)CH3
   66633.0218  0.0160 -6.4364 3   61.7444116  5951614041412 2 3    1411 4 3      C-13-H3C(O)CH3
   66633.6164  0.0017 -5.3051 3  102.7036156 -5951614041912 8 4    1911 9 4      C-13-H3C(O)CH3
   66641.1788  0.0015 -5.0334 3   80.6437280 -5951614041710 8 2    17 9 9 2      C-13-H3C(O)CH3
   66643.7571  0.0014 -5.0336 3   80.6461280 -5951614041710 8 1    17 9 9 1      C-13-H3C(O)CH3
   66647.1475  0.0045 -5.2832 3   61.7612232 -5951614041412 2 1    1411 3 1      C-13-H3C(O)CH3
   66659.7296  0.0088 -7.6034 3  209.8812440  595161404271810 2    271710 2      C-13-H3C(O)CH3
   66662.3177  0.0039 -7.4275 3   80.6461296  59516140418 612 1    17 9 9 1      C-13-H3C(O)CH3
   66693.1648  0.0042 -5.1137 3   87.0228280 -5951614041713 4 0    1712 5 0      C-13-H3C(O)CH3
   66695.6847  0.0039 -7.4242 3   80.6437296  59516140418 612 2    17 9 9 2      C-13-H3C(O)CH3
   66696.9320  0.0015 -5.3037 3  102.7039156 -5951614041912 8 3    1911 9 3      C-13-H3C(O)CH3
   66709.0818  0.0014 -5.0322 3   80.6156280 -5951614041710 8 0    17 9 9 0      C-13-H3C(O)CH3
   66726.5113  0.0071 -7.9760 3  365.5617632  595161404391227 0    381524 0      C-13-H3C(O)CH3
   66726.5114  0.0071 -7.9770 3  365.5617632  595161404391327 0    381424 0      C-13-H3C(O)CH3
   66735.4609  0.0085 -7.9783 3  365.5351632  595161404391227 1    381524 1      C-13-H3C(O)CH3
   66735.4611  0.0085 -7.9783 3  365.5351632  595161404391327 1    381424 1      C-13-H3C(O)CH3
   66737.9343  0.0042 -5.2808 3   61.7063232 -5951614041412 2 0    1411 3 0      C-13-H3C(O)CH3
   66747.6635  0.0016 -5.0020 3  102.6863312 -5951614041912 8 1    1911 9 1      C-13-H3C(O)CH3
   66751.3332  0.0085 -7.9756 3  365.5333632  595161404391227 2    381524 2      C-13-H3C(O)CH3
   66751.3333  0.0085 -7.9755 3  365.5333632  595161404391327 2    381424 2      C-13-H3C(O)CH3
   66752.9293  0.0037 -5.0731 3  307.4635536 -595161404332013 0    331914 0      C-13-H3C(O)CH3
   66756.7400  0.0044 -5.2826 3   61.7613232 -5951614041412 2 2    1411 3 2      C-13-H3C(O)CH3
   66759.1261  0.0039 -7.7297 3   80.6743148  59516140418 612 3    17 9 9 3      C-13-H3C(O)CH3
   66760.7868  0.0048 -7.7296 3   80.6743148  59516140418 612 4    17 9 9 4      C-13-H3C(O)CH3
   66776.8024  0.0060 -5.0727 3  307.4340536 -595161404332013 2    331914 2      C-13-H3C(O)CH3
   66786.8366  0.0016 -5.0014 3  102.6831312 -5951614041912 8 2    1911 9 2      C-13-H3C(O)CH3
   66818.1849  0.0074 -5.0727 3  307.4492536 -595161404332013 1    331914 1      C-13-H3C(O)CH3
   66830.9150  0.0039 -5.3734 3  307.4199268 -595161404332013 4    331914 4      C-13-H3C(O)CH3
   66850.9576  0.0050 -7.6238 3   32.4235 92  59516140411 5 6 3    10 8 3 3      C-13-H3C(O)CH3
   66851.3039  0.0125 -5.3732 3  307.4196268 -595161404332013 3    331914 3      C-13-H3C(O)CH3
   66868.8216  0.0015 -5.0001 3  102.6657312 -5951614041912 8 0    1911 9 0      C-13-H3C(O)CH3
   66904.0383  0.0039 -7.4635 3   12.3812120  595161404 7 4 4 2     6 5 2 2      C-13-H3C(O)CH3
   66985.8207  0.0033 -7.4053 3   12.3790120  595161404 7 4 4 1     6 5 2 1      C-13-H3C(O)CH3
   66987.8625  0.0057 -5.1819 3   87.0526280 -5951614041713 4 1    1712 5 1      C-13-H3C(O)CH3
   66988.8061  0.0041 -5.2777 3   61.6975232 -5951614041412 3 0    1411 4 0      C-13-H3C(O)CH3
   67036.8473  0.0028 -5.0534 3   95.6720296  5951614041813 6 0    1812 7 0      C-13-H3C(O)CH3
   67070.0579  0.0057 -5.1933 3   87.0503280  5951614041713 4 2    1712 5 2      C-13-H3C(O)CH3
   67104.8016  0.0082 -7.4664 3   32.3597184  59516140411 5 6 2    10 8 3 2      C-13-H3C(O)CH3
   67129.5611  0.0067 -5.4439 3   87.0916140  5951614041713 4 4    1712 5 4      C-13-H3C(O)CH3
   67196.8239  0.0110 -5.7593 3  107.2763312  5951614041914 6 1    1913 6 1      C-13-H3C(O)CH3
   67231.3200  0.0058 -7.2076 3    9.5806 52  595161404 6 4 2 4     5 5 1 4      C-13-H3C(O)CH3
   67281.2387  0.0060 -7.2297 3   14.5366120  595161404 7 6 2 1     7 3 4 1      C-13-H3C(O)CH3
   67322.0519  0.0069 -7.4707 3   32.3544184  59516140411 5 6 1    10 8 3 1      C-13-H3C(O)CH3
   67363.2320  0.0076 -8.0179 3   97.9730312  595161404191010 2    1813 5 2      C-13-H3C(O)CH3
   67364.8223  0.0047 -7.2408 3   13.5014 60  595161404 7 5 3 4     6 6 1 4      C-13-H3C(O)CH3
   67387.3879  0.0037 -7.4121 3   80.5893296  59516140418 712 0    17 8 9 0      C-13-H3C(O)CH3
   67389.2942  0.0078 -8.0384 3   97.9749312  595161404191010 1    1813 5 1      C-13-H3C(O)CH3
   67392.9351  0.0083 -8.0107 3  100.4177312  5951614041911 9 0    1814 4 0      C-13-H3C(O)CH3
   67395.3196  0.0021 -5.3532 3   70.5226132  59516140416 9 8 4    16 8 9 4      C-13-H3C(O)CH3
   67402.9166  0.0016 -5.3531 3   70.5226132  59516140416 9 8 3    16 8 9 3      C-13-H3C(O)CH3
   67424.6213  0.0041 -7.4168 3   80.6207296  59516140418 712 1    17 8 9 1      C-13-H3C(O)CH3
   67437.0590  0.0075 -7.2531 3   14.5352120  595161404 7 6 2 2     7 3 4 2      C-13-H3C(O)CH3
   67448.1976  0.0053 -5.4385 3   86.9456140  5951614041713 5 4    1712 6 4      C-13-H3C(O)CH3
   67459.4667  0.0016 -5.0507 3   70.4869264  59516140416 9 8 2    16 8 9 2      C-13-H3C(O)CH3
   67470.4182  0.0016 -5.0508 3   70.4888264  59516140416 9 8 1    16 8 9 1      C-13-H3C(O)CH3
   67471.8072  0.0036 -4.9793 3  148.5949376  595161404231310 0    231211 0      C-13-H3C(O)CH3
   67475.0825  0.0041 -7.4133 3   80.6177296  59516140418 712 2    17 8 9 2      C-13-H3C(O)CH3
   67489.5910  0.0040 -4.9794 3  148.5966376  595161404231310 2    231211 2      C-13-H3C(O)CH3
   67499.2308  0.0034 -7.4010 3   12.4269 60  595161404 7 4 4 4     6 5 2 4      C-13-H3C(O)CH3
   67504.4049  0.0019 -5.3869 3   60.9441124  59516140415 7 8 3    15 6 9 3      C-13-H3C(O)CH3
   67509.8282  0.0027 -5.3869 3   60.9441124  59516140415 7 8 4    15 6 9 4      C-13-H3C(O)CH3
   67509.8814  0.0052 -7.7191 3   80.6493148  59516140418 712 4    17 8 9 4      C-13-H3C(O)CH3
   67514.4373  0.0041 -7.7191 3   80.6491148  59516140418 712 3    17 8 9 3      C-13-H3C(O)CH3
   67530.7243  0.0015 -5.0494 3   70.4532264  59516140416 9 8 0    16 8 9 0      C-13-H3C(O)CH3
   67541.5005  0.0021 -5.0847 3   60.9030248  59516140415 7 8 2    15 6 9 2      C-13-H3C(O)CH3
   67545.4580  0.0076 -7.6639 3   11.2150104  595161404 6 6 1 1     6 3 3 1      C-13-H3C(O)CH3
   67572.7670  0.0020 -5.0846 3   60.9046248  59516140415 7 8 1    15 6 9 1      C-13-H3C(O)CH3
   67581.3439  0.0107 -5.7322 3  107.2733312  5951614041914 6 2    1913 6 2      C-13-H3C(O)CH3
   67598.9920  0.0048 -7.9010 3   97.9457312  595161404191010 0    1813 5 0      C-13-H3C(O)CH3
   67607.2020  0.0020 -5.0835 3   60.8636248  59516140415 7 8 0    15 6 9 0      C-13-H3C(O)CH3
   67616.6395  0.0170 -6.0563 3  129.6799172  5951614042115 7 4    2114 7 4      C-13-H3C(O)CH3
   67629.7883  0.0040 -4.9783 3  148.6029376  595161404231310 1    231211 1      C-13-H3C(O)CH3
   67642.0488  0.0047 -5.2795 3  148.6045188  595161404231310 3    231211 3      C-13-H3C(O)CH3
   67656.9946  0.0057 -5.2793 3  148.6048188  595161404231310 4    231211 4      C-13-H3C(O)CH3
   67737.6011  0.0023 -7.0362 3   15.9704 68  595161404 8 4 5 4     7 5 2 4      C-13-H3C(O)CH3
   67737.6657  0.0094 -7.6675 3   11.2134104  595161404 6 6 1 2     6 3 3 2      C-13-H3C(O)CH3
   67822.9991  0.0036 -7.2156 3   95.7068148  5951614041813 5 3    1812 7 3      C-13-H3C(O)CH3
   67875.4855  0.0142 -6.4660 3  180.9682204  5951614042517 9 4    2516 9 4      C-13-H3C(O)CH3
   67875.5069  0.0027 -6.7195 3   15.9021136  595161404 8 4 5 1     7 5 2 1      C-13-H3C(O)CH3
   67886.9931  0.0088 -6.5903 3  107.2836156  5951614041914 6 3    1913 6 3      C-13-H3C(O)CH3
   67890.9417  0.0031 -6.7156 3   15.9008136  595161404 8 4 5 2     7 5 2 2      C-13-H3C(O)CH3
   67927.5989  0.0035 -7.0199 3   15.9642 68  595161404 8 4 5 3     7 5 2 3      C-13-H3C(O)CH3
   67935.7568  0.0014 -6.7077 3   15.8357136  595161404 8 4 5 0     7 5 2 0      C-13-H3C(O)CH3
   67983.2601  0.0048 -5.1694 3   86.9468280  5951614041713 5 1    1712 6 1      C-13-H3C(O)CH3
   67990.9190  0.0175 -7.0548 3   68.9068124  5951614041512 3 4    1511 5 4      C-13-H3C(O)CH3
   68031.8904  0.0214 -7.8100 3   55.0758108  5951614041312 2 3    1311 2 3      C-13-H3C(O)CH3
   68033.8081  0.0054 -5.7204 3   54.9977108  5951614041312 2 4    1311 3 4      C-13-H3C(O)CH3
   68067.7060  0.0090 -8.1638 3   11.2831 52  595161404 6 6 1 3     6 3 3 3      C-13-H3C(O)CH3
   68090.6291  0.0112 -8.1824 3  124.7819344  5951614042113 9 0    2016 4 0      C-13-H3C(O)CH3
   68098.2500  0.0025 -5.2870 3  114.5896164  5951614042013 8 4    2012 9 4      C-13-H3C(O)CH3
   68138.8142  0.0050 -5.1799 3   86.9514280  5951614041713 5 2    1712 6 2      C-13-H3C(O)CH3
   68145.7214  0.0054 -8.2099 3   97.9692156  595161404191010 3    1813 5 3      C-13-H3C(O)CH3
   68184.5803  0.0052 -5.7229 3   55.0758108  5951614041312 1 3    1311 2 3      C-13-H3C(O)CH3
   68219.1613  0.0017 -5.2831 3  114.5903164  5951614042013 8 3    2012 9 3      C-13-H3C(O)CH3
   68227.6710  0.0083 -7.8162 3   11.2831 52  595161404 6 6 0 3     6 3 3 3      C-13-H3C(O)CH3
   68247.2794  0.0055 -5.7224 3   55.0686108  5951614041312 2 3    1311 3 3      C-13-H3C(O)CH3
   68261.3765  0.0020 -4.9822 3  114.5776328  5951614042013 8 1    2012 9 1      C-13-H3C(O)CH3
   68261.5133  0.0089 -6.5008 3  180.9736408  5951614042517 9 1    2516 9 1      C-13-H3C(O)CH3
   68268.0461  0.0106 -7.6908 3  180.9672204  5951614042517 9 3    2516 9 3      C-13-H3C(O)CH3
   68288.9354  0.0040 -7.0448 3   14.6026 60  595161404 7 6 1 3     7 3 4 3      C-13-H3C(O)CH3
   68334.7394  0.0019 -4.9811 3  114.5745328  5951614042013 8 2    2012 9 2      C-13-H3C(O)CH3
   68354.1729  0.0158 -6.1320 3  154.2349188  5951614042316 8 4    2315 8 4      C-13-H3C(O)CH3
   68354.8495  0.0145 -6.9649 3   78.7981264  5951614041613 4 1    1612 4 1      C-13-H3C(O)CH3
   68361.3945  0.0067 -7.7961 3   32.3735 92  59516140411 5 6 4    10 8 3 4      C-13-H3C(O)CH3
   68365.2801  0.0049 -5.4163 3   55.0066216  5951614041312 2 1    1311 3 1      C-13-H3C(O)CH3
   68377.2203  0.0052 -8.1679 3   56.2233232  59516140414 9 5 2    14 8 7 2      C-13-H3C(O)CH3
   68378.7289  0.0074 -5.4533 3   86.9760140  5951614041713 5 3    1712 6 3      C-13-H3C(O)CH3
   68399.9692  0.0209 -7.8053 3   55.0686108  5951614041312 1 3    1311 3 3      C-13-H3C(O)CH3
   68400.8540  0.0058 -5.7178 3   55.1467108  5951614041312 1 4    1311 2 4      C-13-H3C(O)CH3
   68409.1905  0.0022 -5.3764 3   60.9467124  59516140415 8 8 4    15 7 9 4      C-13-H3C(O)CH3
   68409.6253  0.0045 -5.4159 3   55.0159216  5951614041312 2 2    1311 3 2      C-13-H3C(O)CH3
   68412.2136  0.0016 -5.3763 3   60.9467124  59516140415 8 8 3    15 7 9 3      C-13-H3C(O)CH3
   68437.2566  0.0018 -4.9792 3  114.5622328  5951614042013 8 0    2012 9 0      C-13-H3C(O)CH3
   68467.4465  0.0048 -8.0346 3   56.2251232  59516140414 9 5 1    14 8 7 1      C-13-H3C(O)CH3
   68476.3906  0.0017 -5.0738 3   60.9057248  59516140415 8 8 2    15 7 9 2      C-13-H3C(O)CH3
   68489.7622  0.0017 -5.0739 3   60.9073248  59516140415 8 8 1    15 7 9 1      C-13-H3C(O)CH3
   68494.6564  0.0071 -5.3778 3  107.2836156  5951614041914 5 3    1913 6 3      C-13-H3C(O)CH3
   68520.3519  0.0048 -5.4152 3   55.0845216  5951614041312 1 1    1311 2 1      C-13-H3C(O)CH3
   68520.9449  0.0072 -5.8514 3   95.6874296  5951614041813 5 2    1812 7 2      C-13-H3C(O)CH3
   68538.9323  0.0027 -7.2619 3   49.5713232  59516140414 5 9 0    13 8 6 0      C-13-H3C(O)CH3
   68553.7097  0.0053 -7.8132 3   56.2647116  59516140414 9 5 4    14 8 7 4      C-13-H3C(O)CH3
   68555.4013  0.0017 -5.0724 3   60.8664248  59516140415 8 8 0    15 7 9 0      C-13-H3C(O)CH3
   68596.7003  0.0075 -5.8131 3   95.6868296  5951614041813 5 1    1812 7 1      C-13-H3C(O)CH3
   68623.4316  0.0046 -5.4143 3   55.0868216  5951614041312 1 2    1311 2 2      C-13-H3C(O)CH3
   68631.5130  0.0029 -7.2634 3   49.6133232  59516140414 5 9 2    13 8 6 2      C-13-H3C(O)CH3
   68632.3415  0.0030 -7.2659 3   49.6145232  59516140414 5 9 1    13 8 6 1      C-13-H3C(O)CH3
   68661.5365  0.0080 -6.7992 3  180.9652408  5951614042517 9 2    2516 9 2      C-13-H3C(O)CH3
   68661.8495  0.0103 -5.7826 3  129.6679344  5951614042115 7 1    2114 7 1      C-13-H3C(O)CH3
   68700.1520  0.0030 -7.5686 3   49.6575116  59516140414 5 9 3    13 8 6 3      C-13-H3C(O)CH3
   68708.5285  0.0145 -6.8531 3   78.7971264  5951614041613 4 2    1612 4 2      C-13-H3C(O)CH3
   68723.3314  0.0045 -5.4130 3   55.0254216  5951614041312 1 0    1311 2 0      C-13-H3C(O)CH3
   68734.9968  0.0137 -7.6326 3   61.6953232  5951614041412 2 2    1411 4 2      C-13-H3C(O)CH3
   68749.3838  0.0033 -7.5683 3   49.6559116  59516140414 5 9 4    13 8 6 4      C-13-H3C(O)CH3
   68757.0478  0.0089 -6.2842 3   86.9760140  5951614041713 4 3    1712 6 3      C-13-H3C(O)CH3
   68760.7052  0.0045 -5.4125 3   55.0242216  5951614041312 2 0    1311 3 0      C-13-H3C(O)CH3
   68777.0283  0.0046 -6.7339 3   14.4691120  595161404 7 6 1 0     7 3 4 0      C-13-H3C(O)CH3
   68820.9261  0.0065 -7.3538 3   11.1450104  595161404 6 6 0 0     6 3 3 0      C-13-H3C(O)CH3
   68871.3354  0.0140 -7.7223 3   61.6870232  5951614041412 2 1    1411 4 1      C-13-H3C(O)CH3
   68908.6029  0.0034 -5.0875 3   86.9410280  5951614041713 5 0    1712 6 0      C-13-H3C(O)CH3
   68925.6650  0.0098 -8.0699 3  112.2631328  5951614042012 9 0    1915 4 0      C-13-H3C(O)CH3
   69022.7278  0.0044 -5.0450 3  107.2567312  5951614041914 5 0    1913 6 0      C-13-H3C(O)CH3
   69030.1823  0.0055 -6.9034 3   14.5366120  595161404 7 6 1 1     7 3 4 1      C-13-H3C(O)CH3
   69041.6648  0.0057 -6.8932 3   14.5352120  595161404 7 6 1 2     7 3 4 2      C-13-H3C(O)CH3
   69055.5652  0.0086 -6.9374 3  129.6716172  5951614042115 7 3    2114 7 3      C-13-H3C(O)CH3
   69058.9263  0.0093 -6.0345 3  154.2325376  5951614042316 8 1    2315 8 1      C-13-H3C(O)CH3
   69065.9122  0.0096 -5.8187 3  129.6635344  5951614042115 7 2    2114 7 2      C-13-H3C(O)CH3
   69095.3863  0.0018 -5.4128 3   51.9490116  59516140414 6 8 3    14 5 9 3      C-13-H3C(O)CH3
   69097.7478  0.0025 -5.4127 3   51.9491116  59516140414 6 8 4    14 5 9 4      C-13-H3C(O)CH3
   69161.6673  0.0020 -5.1102 3   51.9026232  59516140414 6 8 2    14 5 9 2      C-13-H3C(O)CH3
   69180.6674  0.0019 -5.1103 3   51.9038232  59516140414 6 8 1    14 5 9 1      C-13-H3C(O)CH3
   69206.4888  0.0093 -7.3107 3  154.2314188  5951614042316 8 3    2315 8 3      C-13-H3C(O)CH3
   69245.7114  0.0019 -5.1087 3   51.8575232  59516140414 6 8 0    14 5 9 0      C-13-H3C(O)CH3
   69263.2950  0.0071 -7.6440 3   11.2150104  595161404 6 6 0 1     6 3 3 1      C-13-H3C(O)CH3
   69267.1625  0.0070 -5.1402 3  107.2763312  5951614041914 5 1    1913 6 1      C-13-H3C(O)CH3
   69308.2047  0.0073 -7.6436 3   11.2134104  595161404 6 6 0 2     6 3 3 2      C-13-H3C(O)CH3
   69318.0605  0.0039 -4.9690 3  190.1480424  595161404261511 0    261412 0      C-13-H3C(O)CH3
   69330.9352  0.0041 -4.9690 3  190.1382424  595161404261511 2    261412 2      C-13-H3C(O)CH3
   69334.1987  0.0072 -5.1457 3  107.2733312  5951614041914 5 2    1913 6 2      C-13-H3C(O)CH3
   69408.7647  0.0023 -5.4091 3   51.9498116  59516140414 7 8 4    14 6 9 4      C-13-H3C(O)CH3
   69409.7056  0.0017 -5.4091 3   51.9498116  59516140414 7 8 3    14 6 9 3      C-13-H3C(O)CH3
   69411.0533  0.0130 -6.0444 3   95.6978148  5951614041813 5 4    1812 7 4      C-13-H3C(O)CH3
   69455.1639  0.0059 -5.9836 3   48.8420100  5951614041212 1 4    1211 2 4      C-13-H3C(O)CH3
   69465.9740  0.0084 -6.1833 3  154.2263376  5951614042316 8 2    2315 8 2      C-13-H3C(O)CH3
   69486.1269  0.0019 -5.1065 3   51.9033232  59516140414 7 8 2    14 6 9 2      C-13-H3C(O)CH3
   69488.6695  0.0043 -4.9678 3  190.1465424  595161404261511 1    261412 1      C-13-H3C(O)CH3
   69498.4159  0.0018 -5.1066 3   51.9045232  59516140414 7 8 1    14 6 9 1      C-13-H3C(O)CH3
   69499.9800  0.0052 -5.2689 3  190.1367212  595161404261511 3    261412 3      C-13-H3C(O)CH3
   69507.4854  0.0063 -5.2688 3  190.1371212  595161404261511 4    261412 4      C-13-H3C(O)CH3
   69513.7248  0.0053 -7.2687 3   14.6031 60  595161404 7 6 1 4     7 3 4 4      C-13-H3C(O)CH3
   69528.6112  0.0081 -5.0605 3  309.6780536  595161404332112 1    332013 1      C-13-H3C(O)CH3
   69542.3069  0.0083 -5.4109 3  107.3008156  5951614041914 5 4    1913 6 4      C-13-H3C(O)CH3
   69575.2243  0.0018 -5.1049 3   51.8582232  59516140414 7 8 0    14 6 9 0      C-13-H3C(O)CH3
   69586.5691  0.0056 -5.9828 3   48.9233100  5951614041212 0 3    1211 1 3      C-13-H3C(O)CH3
   69648.8078  0.0077 -5.0595 3  309.6902536  595161404332112 0    332013 0      C-13-H3C(O)CH3
   69652.9628  0.0059 -5.9823 3   48.9176100  5951614041212 1 3    1211 2 3      C-13-H3C(O)CH3
   69657.0137  0.0097 -5.3603 3  309.6491268  595161404332112 4    332013 4      C-13-H3C(O)CH3
   69665.3925  0.0100 -5.3603 3  309.6495268  595161404332112 3    332013 3      C-13-H3C(O)CH3
   69722.2647  0.0030 -4.9816 3  100.2003312  5951614041910 9 2    19 910 2      C-13-H3C(O)CH3
   69741.1796  0.0028 -4.9810 3  100.1807312  5951614041910 9 0    19 910 0      C-13-H3C(O)CH3
   69766.6138  0.0069 -7.9568 3   11.2840 52  595161404 6 6 0 4     6 3 3 4      C-13-H3C(O)CH3
   69769.1260  0.0076 -5.0304 3  274.2503504  595161404312011 1    311912 1      C-13-H3C(O)CH3
   69777.0527  0.0031 -5.2826 3  100.2232156  5951614041910 9 3    19 910 3      C-13-H3C(O)CH3
   69786.2906  0.0086 -5.0582 3  309.6614536  595161404332112 2    332013 2      C-13-H3C(O)CH3
   69786.4714  0.0061 -5.9813 3   48.9990100  5951614041212 0 4    1211 1 4      C-13-H3C(O)CH3
   69789.9999  0.0055 -5.6795 3   48.8532200  5951614041212 1 1    1211 2 1      C-13-H3C(O)CH3
   69790.7523  0.0040 -5.2825 3  100.2234156  5951614041910 9 4    19 910 4      C-13-H3C(O)CH3
   69802.1041  0.0029 -4.9810 3  100.2036312  5951614041910 9 1    19 910 1      C-13-H3C(O)CH3
   69820.1574  0.0051 -5.6793 3   48.8631200  5951614041212 1 2    1211 2 2      C-13-H3C(O)CH3
   69845.2387  0.0091 -5.3307 3  274.2269252  595161404312011 3    311912 3      C-13-H3C(O)CH3
   69846.4981  0.0094 -5.3306 3  274.2264252  595161404312011 4    311912 4      C-13-H3C(O)CH3
   69863.4976  0.0049 -5.1089 3  365.6781584  595161404362214 0    362115 0      C-13-H3C(O)CH3
   69906.6391  0.0092 -5.1085 3  365.6598584  595161404362214 1    362115 1      C-13-H3C(O)CH3
   69923.8092  0.0051 -5.6786 3   48.9345200  5951614041212 0 1    1211 1 1      C-13-H3C(O)CH3
   69929.7825  0.0067 -5.1081 3  365.6433584  595161404362214 2    362115 2      C-13-H3C(O)CH3
   69943.3701  0.0149 -6.1295 3   78.7917132  5951614041613 4 3    1612 4 3      C-13-H3C(O)CH3
   69962.5599  0.0045 -5.4088 3  365.6252292  595161404362214 4    362115 4      C-13-H3C(O)CH3
   69962.8314  0.0081 -5.3622 3  116.8612164  5951614042014 7 4    2013 8 4      C-13-H3C(O)CH3
   69967.7647  0.0073 -5.0285 3  274.2589504  595161404312011 0    311912 0      C-13-H3C(O)CH3
   69979.6704  0.0147 -5.4087 3  365.6250292  595161404362214 3    362115 3      C-13-H3C(O)CH3
   69991.0887  0.0092 -5.0922 3  347.2599568  595161404352213 1    352114 1      C-13-H3C(O)CH3
   70020.2936  0.0049 -5.6779 3   48.9387200  5951614041212 0 2    1211 1 2      C-13-H3C(O)CH3
   70033.0818  0.0110 -5.8301 3   86.9514280  5951614041713 4 2    1712 6 2      C-13-H3C(O)CH3
   70033.5575  0.0078 -5.0919 3  347.2755568  595161404352213 0    352114 0      C-13-H3C(O)CH3
   70049.2965  0.0078 -5.0277 3  274.2351504  595161404312011 2    311912 2      C-13-H3C(O)CH3
   70095.1400  0.0071 -5.3185 3  129.6716172  5951614042115 6 3    2114 7 3      C-13-H3C(O)CH3
   70153.6281  0.0096 -5.3917 3  347.2269284  595161404352213 4    352114 4      C-13-H3C(O)CH3
   70154.6553  0.0050 -5.6762 3   48.8744200  5951614041212 0 0    1211 1 0      C-13-H3C(O)CH3
   70156.1163  0.0216 -7.0868 3   98.0131148  5951614041814 5 4    1813 5 4      C-13-H3C(O)CH3
   70158.3303  0.0050 -5.6762 3   48.8742200  5951614041212 1 0    1211 2 0      C-13-H3C(O)CH3
   70159.8595  0.0114 -5.8898 3   86.9468280  5951614041713 4 1    1712 6 1      C-13-H3C(O)CH3
   70163.6175  0.0120 -5.3917 3  347.2271284  595161404352213 3    352114 3      C-13-H3C(O)CH3
   70181.9766  0.0076 -5.5515 3   78.7917132  5951614041613 3 3    1612 4 3      C-13-H3C(O)CH3
   70192.1136  0.0018 -5.4566 3   43.5353108  59516140413 5 8 3    13 4 9 3      C-13-H3C(O)CH3
   70193.0720  0.0024 -5.4566 3   43.5353108  59516140413 5 8 4    13 4 9 4      C-13-H3C(O)CH3
   70205.5694  0.0095 -5.0903 3  347.2425568  595161404352213 2    352114 2      C-13-H3C(O)CH3
   70220.7806  0.0051 -5.4499 3   78.7135132  5951614041613 4 4    1612 5 4      C-13-H3C(O)CH3
   70247.1869  0.0048 -7.5903 3  191.7362456  59516140428 919 0    271216 0      C-13-H3C(O)CH3
   70248.1913  0.0048 -7.5903 3  191.7362456  595161404281019 0    271116 0      C-13-H3C(O)CH3
   70279.0472  0.0020 -5.1538 3   43.4833216  59516140413 5 8 2    13 4 9 2      C-13-H3C(O)CH3
   70286.6722  0.0023 -5.4555 3   43.5354108  59516140413 6 8 4    13 5 9 4      C-13-H3C(O)CH3
   70286.8240  0.0018 -5.4555 3   43.5354108  59516140413 6 8 3    13 5 9 3      C-13-H3C(O)CH3
   70290.9291  0.0020 -5.1539 3   43.4842216  59516140413 5 8 1    13 4 9 1      C-13-H3C(O)CH3
   70324.5538  0.0054 -7.5935 3  191.7306456  59516140428 919 1    271216 1      C-13-H3C(O)CH3
   70325.5318  0.0054 -7.5935 3  191.7305456  595161404281019 1    271116 1      C-13-H3C(O)CH3
   70353.8443  0.0054 -7.5904 3  191.7281456  59516140428 919 2    271216 2      C-13-H3C(O)CH3
   70354.8693  0.0054 -7.5903 3  191.7280456  595161404281019 2    271116 2      C-13-H3C(O)CH3
   70377.0061  0.0020 -5.1527 3   43.4834216  59516140413 6 8 2    13 5 9 2      C-13-H3C(O)CH3
   70377.2669  0.0020 -5.1522 3   43.4323216  59516140413 5 8 0    13 4 9 0      C-13-H3C(O)CH3
   70378.7475  0.0092 -5.3055 3  240.9681236  595161404291910 3    291811 3      C-13-H3C(O)CH3
   70382.1083  0.0074 -5.0049 3  240.9859472  595161404291910 1    291811 1      C-13-H3C(O)CH3
   70386.7312  0.0020 -5.1528 3   43.4843216  59516140413 6 8 1    13 5 9 1      C-13-H3C(O)CH3
   70412.1750  0.0090 -5.3062 3  240.9676236  595161404291910 4    291811 4      C-13-H3C(O)CH3
   70431.3422  0.0051 -7.8945 3  191.7224228  59516140428 919 3    271216 3      C-13-H3C(O)CH3
   70431.3678  0.0058 -7.8945 3  191.7224228  59516140428 919 4    271216 4      C-13-H3C(O)CH3
   70432.3418  0.0051 -7.8945 3  191.7224228  595161404281019 3    271116 3      C-13-H3C(O)CH3
   70432.3614  0.0058 -7.8945 3  191.7224228  595161404281019 4    271116 4      C-13-H3C(O)CH3
   70433.2060  0.0062 -7.7852 3  296.5463568  595161404351124 0    341421 0      C-13-H3C(O)CH3
   70433.2106  0.0062 -7.7852 3  296.5463568  595161404351224 0    341321 0      C-13-H3C(O)CH3
   70463.6102  0.0059 -8.0065 3  129.6679360  595161404221112 1    2114 7 1      C-13-H3C(O)CH3
   70472.7675  0.0073 -7.7878 3  296.5243568  595161404351124 1    341421 1      C-13-H3C(O)CH3
   70472.7723  0.0073 -7.7878 3  296.5243568  595161404351224 1    341321 1      C-13-H3C(O)CH3
   70476.8664  0.0020 -5.1510 3   43.4325216  59516140413 6 8 0    13 5 9 0      C-13-H3C(O)CH3
   70492.2738  0.0009 -5.4882 3    6.8487 52  595161404 6 1 5 3     5 2 4 3      C-13-H3C(O)CH3
   70493.6764  0.0009 -5.4882 3    6.8486 52  595161404 6 1 5 4     5 2 4 4      C-13-H3C(O)CH3
   70493.7646  0.0073 -7.7850 3  296.5221568  595161404351124 2    341421 2      C-13-H3C(O)CH3
   70493.7696  0.0073 -7.7850 3  296.5221568  595161404351224 2    341321 2      C-13-H3C(O)CH3
   70504.6740  0.0060 -7.9996 3  129.6635360  595161404221112 2    2114 7 2      C-13-H3C(O)CH3
   70512.6303  0.0051 -7.9911 3  129.6556360  595161404221112 0    2114 7 0      C-13-H3C(O)CH3
   70514.9079  0.0010 -5.1870 3    6.7761104  595161404 6 1 5 2     5 2 4 2      C-13-H3C(O)CH3
   70515.6534  0.0011 -5.1869 3    6.7766104  595161404 6 1 5 1     5 2 4 1      C-13-H3C(O)CH3
   70533.3722  0.0068 -8.0888 3  296.5000284  595161404351124 3    341421 3      C-13-H3C(O)CH3
   70533.3773  0.0068 -8.0888 3  296.5000284  595161404351224 3    341321 3      C-13-H3C(O)CH3
   70533.5638  0.0071 -8.0887 3  296.5000284  595161404351124 4    341421 4      C-13-H3C(O)CH3
   70533.5689  0.0071 -8.0887 3  296.5000284  595161404351224 4    341321 4      C-13-H3C(O)CH3
   70537.5429  0.0010 -5.1868 3    6.7042104  595161404 6 1 5 0     5 2 4 0      C-13-H3C(O)CH3
   70551.5523  0.0038 -7.4152 3  109.3686344  59516140421 714 0    201011 0      C-13-H3C(O)CH3
   70555.0604  0.0049 -5.0249 3  116.8546328  5951614042014 7 1    2013 8 1      C-13-H3C(O)CH3
   70560.5595  0.0042 -5.1506 3   78.7245264  5951614041613 4 1    1612 5 1      C-13-H3C(O)CH3
   70574.2784  0.0060 -5.4476 3   78.8476132  5951614041613 3 4    1612 4 4      C-13-H3C(O)CH3
   70608.3671  0.0079 -5.5467 3   78.7695132  5951614041613 4 3    1612 5 3      C-13-H3C(O)CH3
   70620.5639  0.0042 -7.4192 3  109.3874344  59516140421 714 1    201011 1      C-13-H3C(O)CH3
   70633.4768  0.0047 -5.0014 3  129.6556344  5951614042115 6 0    2114 7 0      C-13-H3C(O)CH3
   70638.4811  0.0040 -5.1520 3   78.7327264  5951614041613 4 2    1612 5 2      C-13-H3C(O)CH3
   70642.1317  0.0068 -5.0017 3  240.9909472  595161404291910 0    291811 0      C-13-H3C(O)CH3
   70648.4968  0.0041 -5.1436 3   78.7552264  5951614041613 3 0    1612 4 0      C-13-H3C(O)CH3
   70654.6670  0.0046 -5.1503 3   78.7981264  5951614041613 3 1    1612 4 1      C-13-H3C(O)CH3
   70657.0342  0.0042 -7.4159 3  109.3848344  59516140421 714 2    201011 2      C-13-H3C(O)CH3
   70659.8978  0.0072 -5.0016 3  240.9727472  595161404291910 2    291811 2      C-13-H3C(O)CH3
   70669.4446  0.0009 -5.4854 3    6.8437 52 -595161404 6 2 5 4     5 1 4 4      C-13-H3C(O)CH3
   70670.7517  0.0009 -5.4854 3    6.8436 52 -595161404 6 2 5 3     5 1 4 3      C-13-H3C(O)CH3
   70686.3660  0.0045 -4.9816 3  236.6951472  595161404291712 2    291613 2      C-13-H3C(O)CH3
   70688.6135  0.0041 -4.9816 3  236.7144472  595161404291712 0    291613 0      C-13-H3C(O)CH3
   70695.5193  0.0011 -5.1841 3    6.7715104 -595161404 6 2 5 1     5 1 4 1      C-13-H3C(O)CH3
   70696.9257  0.0010 -5.1842 3    6.7709104 -595161404 6 2 5 2     5 1 4 2      C-13-H3C(O)CH3
   70706.0508  0.0032 -5.2877 3  116.8659164  5951614042014 7 3    2013 8 3      C-13-H3C(O)CH3
   70706.4713  0.0038 -7.4132 3  109.3635344  59516140421 814 0    20 911 0      C-13-H3C(O)CH3
   70713.7810  0.0078 -5.0831 3  129.6679344  5951614042115 6 1    2114 7 1      C-13-H3C(O)CH3
   70722.3706  0.0011 -5.1838 3    6.6990104 -595161404 6 2 5 0     5 1 4 0      C-13-H3C(O)CH3
   70725.9966  0.0052 -7.7210 3  109.4037172  59516140421 714 4    201011 4      C-13-H3C(O)CH3
   70726.1518  0.0042 -7.7210 3  109.4037172  59516140421 714 3    201011 3      C-13-H3C(O)CH3
   70726.2372  0.0044 -5.2697 3  127.0697172  5951614042114 8 4    2113 9 4      C-13-H3C(O)CH3
   70726.2986  0.0065 -7.1552 3   13.6112 60  595161404 7 5 2 4     6 6 0 4      C-13-H3C(O)CH3
   70755.0904  0.0046 -5.0136 3  116.8539328  5951614042014 7 2    2013 8 2      C-13-H3C(O)CH3
   70769.8692  0.0043 -7.4173 3  109.3825344  59516140421 814 1    20 911 1      C-13-H3C(O)CH3
   70774.3987  0.0045 -5.1513 3   78.7971264  5951614041613 3 2    1612 4 2      C-13-H3C(O)CH3
   70789.1171  0.0079 -5.0745 3  129.6635344  5951614042115 6 2    2114 7 2      C-13-H3C(O)CH3
   70810.6747  0.0042 -7.4139 3  109.3797344  59516140421 814 2    20 911 2      C-13-H3C(O)CH3
   70822.0666  0.0031 -6.7199 3  104.9109312  5951614041913 6 2    1912 8 2      C-13-H3C(O)CH3
   70843.1088  0.0065 -5.2815 3  236.6865236  595161404291712 4    291613 4      C-13-H3C(O)CH3
   70844.3169  0.0046 -4.9805 3  236.7056472 -595161404291712 1    291613 1      C-13-H3C(O)CH3
   70844.7581  0.0056 -5.2815 3  236.6862236 -595161404291712 3    291613 3      C-13-H3C(O)CH3
   70846.9736  0.0144 -6.1188 3   78.7695132  5951614041613 3 3    1612 5 3      C-13-H3C(O)CH3
   70859.2068  0.0033 -6.5647 3  104.9127312  5951614041913 6 1    1912 8 1      C-13-H3C(O)CH3
   70864.8197  0.0096 -8.0449 3  423.7386680  595161404421329 1    411526 1      C-13-H3C(O)CH3
   70864.8197  0.0096 -8.0449 3  423.7386680  595161404421429 1    411626 1      C-13-H3C(O)CH3
   70873.4242  0.0052 -7.7191 3  109.3988172  59516140421 814 4    20 911 4      C-13-H3C(O)CH3
   70874.6333  0.0042 -7.7191 3  109.3987172  59516140421 814 3    20 911 3      C-13-H3C(O)CH3
   70877.6607  0.0095 -8.0330 3  423.7370680  595161404421329 2    411626 2      C-13-H3C(O)CH3
   70877.6607  0.0095 -8.0330 3  423.7370680  595161404421429 2    411526 2      C-13-H3C(O)CH3
   70885.6371  0.0079 -8.0424 3  423.7663680  595161404421429 0    411626 0      C-13-H3C(O)CH3
   70885.6372  0.0079 -8.0424 3  423.7663680  595161404421329 0    411526 0      C-13-H3C(O)CH3
   70934.7680  0.0091 -5.2877 3  209.8800220 -5951614042718 9 3    271710 3      C-13-H3C(O)CH3
   70956.0432  0.0022 -5.2577 3  127.0710172  5951614042114 8 3    2113 9 3      C-13-H3C(O)CH3
   70973.9945  0.0027 -4.9596 3  127.0631344  5951614042114 8 1    2113 9 1      C-13-H3C(O)CH3
   70981.9375  0.0019 -5.5212 3   35.7074100  59516140412 4 8 3    12 3 9 3      C-13-H3C(O)CH3
   70982.2845  0.0077 -5.2892 3  154.2314188  5951614042316 7 3    2315 8 3      C-13-H3C(O)CH3
   70982.3190  0.0024 -5.5212 3   35.7074100  59516140412 4 8 4    12 3 9 4      C-13-H3C(O)CH3
   71006.3115  0.0019 -5.5209 3   35.7074100  59516140412 5 8 3    12 4 9 3      C-13-H3C(O)CH3
   71006.3774  0.0024 -5.5209 3   35.7074100  59516140412 5 8 4    12 4 9 4      C-13-H3C(O)CH3
   71025.9073  0.0101 -5.3895 3  129.6799172  5951614042115 6 4    2114 7 4      C-13-H3C(O)CH3
   71036.1362  0.0073 -4.9885 3  209.8921440  5951614042718 9 1    271710 1      C-13-H3C(O)CH3
   71057.0967  0.0089 -5.2941 3  209.8799220  5951614042718 9 4    271710 4      C-13-H3C(O)CH3
   71084.6104  0.0022 -5.2182 3   35.6498200  59516140412 4 8 2    12 3 9 2      C-13-H3C(O)CH3
   71087.9673  0.0026 -4.9805 3  116.8450328  5951614042014 7 0    2013 8 0      C-13-H3C(O)CH3
   71090.8056  0.0024 -4.9571 3  127.0603344  5951614042114 8 2    2113 9 2      C-13-H3C(O)CH3
   71092.1110  0.0022 -5.2184 3   35.6505200  59516140412 4 8 1    12 3 9 1      C-13-H3C(O)CH3
   71109.8630  0.0022 -5.2179 3   35.6498200  59516140412 5 8 2    12 4 9 2      C-13-H3C(O)CH3
   71116.7777  0.0022 -5.2181 3   35.6505200  59516140412 5 8 1    12 4 9 1      C-13-H3C(O)CH3
   71148.2494  0.0037 -7.3342 3   93.5870296  5951614041812 6 2    1811 8 2      C-13-H3C(O)CH3
   71184.1788  0.0039 -5.1374 3   78.7361264  5951614041613 4 0    1612 5 0      C-13-H3C(O)CH3
   71185.0597  0.0069 -6.4626 3  104.9263156  5951614041913 6 4    1912 8 4      C-13-H3C(O)CH3
   71189.8520  0.0104 -8.0176 3   39.3747100  59516140412 6 6 4    11 9 2 4      C-13-H3C(O)CH3
   71194.4358  0.0022 -5.2165 3   35.5931200  59516140412 4 8 0    12 3 9 0      C-13-H3C(O)CH3
   71207.8239  0.0034 -7.1688 3   93.5893296  5951614041812 6 1    1811 8 1      C-13-H3C(O)CH3
   71209.9286  0.0132 -8.1271 3   55.0868232  59516140414 8 6 2    1311 2 2      C-13-H3C(O)CH3
   71213.6141  0.0086 -5.2808 3  180.9672204  5951614042517 8 3    2516 9 3      C-13-H3C(O)CH3
   71216.6737  0.0065 -6.9122 3   13.5253120  595161404 7 5 2 2     6 6 0 2      C-13-H3C(O)CH3
   71218.2706  0.0066 -5.3908 3  107.1203156  5951614041914 6 4    1913 7 4      C-13-H3C(O)CH3
   71220.1377  0.0022 -5.2162 3   35.5931200  59516140412 5 8 0    12 4 9 0      C-13-H3C(O)CH3
   71226.4921  0.0022 -4.9534 3  127.0531344 -5951614042114 8 0    2113 9 0      C-13-H3C(O)CH3
   71251.7237  0.0063 -6.9032 3   13.5254120  595161404 7 5 2 1     6 6 0 1      C-13-H3C(O)CH3
   71284.4087  0.0069 -4.9838 3  209.8812440  5951614042718 9 2    271710 2      C-13-H3C(O)CH3
   71293.9163  0.0012 -7.2932 3    3.4121 36  595161404 4 3 1 4     3 2 1 4      C-13-H3C(O)CH3
   71311.0588  0.0014 -7.5353 3    3.3379 72  595161404 4 3 1 1     3 2 1 1      C-13-H3C(O)CH3
   71311.2475  0.0015 -7.6221 3    3.3372 72  595161404 4 3 1 2     3 2 1 2      C-13-H3C(O)CH3
   71319.3947  0.0061 -4.9823 3  209.8934440  5951614042718 9 0    271710 0      C-13-H3C(O)CH3
   71382.3779  0.0045 -6.9911 3   93.6091148  5951614041812 6 4    1811 8 4      C-13-H3C(O)CH3
   71391.7893  0.0077 -5.0221 3  154.2325376  5951614042316 7 1    2315 8 1      C-13-H3C(O)CH3
   71427.7940  0.0077 -5.1235 3  387.0042600  595161404372314 0    372215 0      C-13-H3C(O)CH3
   71443.9912  0.0073 -4.9899 3  180.9736408  5951614042517 8 1    2516 9 1      C-13-H3C(O)CH3
   71447.6399  0.0102 -5.1233 3  386.9856600  595161404372314 1    372215 1      C-13-H3C(O)CH3
   71454.4397  0.0137 -8.1196 3   55.0845232  59516140414 8 6 1    1311 2 1      C-13-H3C(O)CH3
   71504.7504  0.0051 -4.9787 3  154.2257376  5951614042316 7 0    2315 8 0      C-13-H3C(O)CH3
   71506.9933  0.0182 -6.4784 3   86.9456140  5951614041713 4 4    1712 6 4      C-13-H3C(O)CH3
   71514.7989  0.0075 -5.0080 3  154.2263376  5951614042316 7 2    2315 8 2      C-13-H3C(O)CH3
   71535.5842  0.0098 -5.3074 3  180.9682204  5951614042517 8 4    2516 9 4      C-13-H3C(O)CH3
   71566.2315  0.0020 -5.6153 3   28.4693 92  59516140411 3 8 3    11 2 9 3      C-13-H3C(O)CH3
   71566.3888  0.0025 -5.6153 3   28.4693 92  59516140411 3 8 4    11 2 9 4      C-13-H3C(O)CH3
   71571.4115  0.0020 -5.6153 3   28.4693 92  59516140411 4 8 3    11 3 9 3      C-13-H3C(O)CH3
   71571.4953  0.0025 -5.6153 3   28.4693 92  59516140411 4 8 4    11 3 9 4      C-13-H3C(O)CH3
   71604.1772  0.0098 -5.1219 3  386.9681600  595161404372314 2    372215 2      C-13-H3C(O)CH3
   71616.2918  0.0092 -5.4227 3  386.9496300  595161404372314 4    372215 4      C-13-H3C(O)CH3
   71618.1404  0.0108 -5.3496 3  154.2349188  5951614042316 7 4    2315 8 4      C-13-H3C(O)CH3
   71624.8295  0.0140 -5.4227 3  386.9495300  595161404372314 3    372215 3      C-13-H3C(O)CH3
   71629.5620  0.0011 -5.2914 3    7.6438 60 -595161404 7 0 7 4     6 1 6 4      C-13-H3C(O)CH3
   71629.5620  0.0011 -5.2914 3    7.6438 60 -595161404 7 0 7 3     6 1 6 3      C-13-H3C(O)CH3
   71629.9888  0.0011 -5.2914 3    7.6438 60 -595161404 7 1 7 3     6 0 6 3      C-13-H3C(O)CH3
   71629.9888  0.0011 -5.2914 3    7.6438 60 -595161404 7 1 7 4     6 0 6 4      C-13-H3C(O)CH3
   71636.3463  0.0069 -4.9810 3  180.9652408  5951614042517 8 2    2516 9 2      C-13-H3C(O)CH3
   71637.1979  0.0013 -4.9902 3    7.5696120 -595161404 7 0 7 1     6 1 6 1      C-13-H3C(O)CH3
   71637.1979  0.0013 -4.9902 3    7.5691120 -595161404 7 0 7 2     6 1 6 2      C-13-H3C(O)CH3
   71637.6289  0.0013 -4.9902 3    7.5696120 -595161404 7 1 7 1     6 0 6 1      C-13-H3C(O)CH3
   71637.6289  0.0013 -4.9902 3    7.5690120 -595161404 7 1 7 2     6 0 6 2      C-13-H3C(O)CH3
   71644.8068  0.0012 -4.9900 3    7.4950120 -595161404 7 0 7 0     6 1 6 0      C-13-H3C(O)CH3
   71645.2624  0.0012 -4.9900 3    7.4950120 -595161404 7 1 7 0     6 0 6 0      C-13-H3C(O)CH3
   71681.7063  0.0024 -5.3122 3   28.4061184  59516140411 3 8 2    11 2 9 2      C-13-H3C(O)CH3
   71686.0873  0.0056 -4.9734 3  180.9711408  5951614042517 8 0    2516 9 0      C-13-H3C(O)CH3
   71686.2511  0.0024 -5.3124 3   28.4067184  59516140411 3 8 1    11 2 9 1      C-13-H3C(O)CH3
   71687.0808  0.0024 -5.3121 3   28.4061184  59516140411 4 8 2    11 3 9 2      C-13-H3C(O)CH3
   71691.4951  0.0024 -5.3123 3   28.4067184  59516140411 4 8 1    11 3 9 1      C-13-H3C(O)CH3
   71769.8694  0.0084 -7.7350 3   39.3023200  59516140412 6 6 2    11 9 2 2      C-13-H3C(O)CH3
   71801.4591  0.0024 -5.3103 3   28.3436184  59516140411 3 8 0    11 2 9 0      C-13-H3C(O)CH3
   71806.9342  0.0024 -5.3103 3   28.3436184  59516140411 4 8 0    11 3 9 0      C-13-H3C(O)CH3
   71837.5872  0.0126 -7.8089 3   55.0242232  59516140414 8 6 0    1311 3 0      C-13-H3C(O)CH3
   71857.5493  0.0086 -7.7274 3   39.3025200  59516140412 6 6 1    11 9 2 1      C-13-H3C(O)CH3
   71858.9300  0.0057 -5.1106 3  107.1208312  5951614041914 6 1    1913 7 1      C-13-H3C(O)CH3
   71861.6104  0.0050 -6.6513 3   13.4386120  595161404 7 5 2 0     6 6 1 0      C-13-H3C(O)CH3
   71878.0218  0.0052 -5.0125 3  288.2530520 -595161404321913 2    321814 2      C-13-H3C(O)CH3
   71894.9369  0.0043 -5.0126 3  288.2798520  595161404321913 0    321814 0      C-13-H3C(O)CH3
   71994.4129  0.0064 -5.3127 3  288.2389260  595161404321913 4    321814 4      C-13-H3C(O)CH3
   72001.2426  0.0021 -5.7609 3   21.8241 84  59516140410 2 8 3    10 1 9 3      C-13-H3C(O)CH3
   72001.3150  0.0026 -5.7609 3   21.8241 84  59516140410 2 8 4    10 1 9 4      C-13-H3C(O)CH3
   72002.1000  0.0021 -5.7609 3   21.8241 84  59516140410 3 8 3    10 2 9 3      C-13-H3C(O)CH3
   72002.1592  0.0026 -5.7609 3   21.8241 84  59516140410 3 8 4    10 2 9 4      C-13-H3C(O)CH3
   72003.8928  0.0073 -5.3127 3  288.2386260  595161404321913 3    321814 3      C-13-H3C(O)CH3
   72015.0606  0.0052 -5.0117 3  288.2655520 -595161404321913 1    321814 1      C-13-H3C(O)CH3
   72067.2413  0.0060 -5.1146 3  107.1237312  5951614041914 6 2    1913 7 2      C-13-H3C(O)CH3
   72078.0671  0.0145 -6.3139 3   97.9749296  5951614041814 5 1    1813 5 1      C-13-H3C(O)CH3
   72107.3810  0.0081 -7.4441 3   13.5589 60  595161404 7 5 2 3     6 6 0 3      C-13-H3C(O)CH3
   72127.5056  0.0027 -5.4577 3   21.7554168  59516140410 2 8 2    10 1 9 2      C-13-H3C(O)CH3
   72128.3963  0.0027 -5.4577 3   21.7554168  59516140410 3 8 2    10 2 9 2      C-13-H3C(O)CH3
   72129.9088  0.0027 -5.4579 3   21.7559168  59516140410 2 8 1    10 1 9 1      C-13-H3C(O)CH3
   72130.7770  0.0027 -5.4579 3   21.7559168  59516140410 3 8 1    10 2 9 1      C-13-H3C(O)CH3
   72255.9231  0.0027 -5.4557 3   21.6874168  59516140410 2 8 0    10 1 9 0      C-13-H3C(O)CH3
   72256.8284  0.0060 -5.3355 3  107.1379156  5951614041914 6 3    1913 7 3      C-13-H3C(O)CH3
   72256.8312  0.0027 -5.4557 3   21.6874168  59516140410 3 8 0    10 2 9 0      C-13-H3C(O)CH3
   72267.3461  0.0093 -7.1110 3   13.5536 60  595161404 7 5 2 3     6 6 1 3      C-13-H3C(O)CH3
   72321.9103  0.0023 -6.0309 3   15.7746 76  595161404 9 1 8 3     9 0 9 3      C-13-H3C(O)CH3
   72321.9554  0.0027 -6.0309 3   15.7746 76  595161404 9 1 8 4     9 0 9 4      C-13-H3C(O)CH3
   72322.0090  0.0023 -6.0309 3   15.7746 76  595161404 9 2 8 3     9 1 9 3      C-13-H3C(O)CH3
   72322.0526  0.0027 -6.0309 3   15.7746 76  595161404 9 2 8 4     9 1 9 4      C-13-H3C(O)CH3
   72380.0478  0.0034 -7.1134 3   37.5992200  59516140412 5 7 0    11 8 4 0      C-13-H3C(O)CH3
   72457.3692  0.0029 -5.7275 3   15.7006152  595161404 9 1 8 2     9 0 9 2      C-13-H3C(O)CH3
   72457.4719  0.0029 -5.7275 3   15.7006152  595161404 9 2 8 2     9 1 9 2      C-13-H3C(O)CH3
   72458.1698  0.0029 -5.7278 3   15.7011152  595161404 9 1 8 1     9 0 9 1      C-13-H3C(O)CH3
   72458.2698  0.0029 -5.7278 3   15.7011152  595161404 9 2 8 1     9 1 9 1      C-13-H3C(O)CH3
   72469.3567  0.0209 -6.9583 3   71.1073124  5951614041513 3 3    1512 3 3      C-13-H3C(O)CH3
   72470.7848  0.0143 -6.1971 3   97.9730296  5951614041814 5 2    1813 5 2      C-13-H3C(O)CH3
   72526.2415  0.0054 -5.5261 3   71.0309124  5951614041513 3 4    1512 4 4      C-13-H3C(O)CH3
   72562.6326  0.0024 -7.1295 3   43.3594216  59516140413 5 8 0    12 8 5 0      C-13-H3C(O)CH3
   72593.4090  0.0030 -5.7254 3   15.6273152 -595161404 9 2 8 0     9 1 9 0      C-13-H3C(O)CH3
   72593.4090  0.0030 -5.7254 3   15.6273152 -595161404 9 1 8 0     9 0 9 0      C-13-H3C(O)CH3
   72599.8620  0.0077 -7.3422 3   39.2253200  59516140412 6 6 0    11 9 3 0      C-13-H3C(O)CH3
   72610.7371  0.0089 -7.7825 3   18.2195 68  595161404 8 6 3 4     7 7 0 4      C-13-H3C(O)CH3
   72650.7054  0.0054 -5.5418 3   71.1073124  5951614041513 2 3    1512 3 3      C-13-H3C(O)CH3
   72686.1572  0.0045 -7.1301 3   37.6394200  59516140412 5 7 2    11 8 4 2      C-13-H3C(O)CH3
   72697.5420  0.0029 -7.1313 3   43.4026216  59516140413 5 8 2    12 8 5 2      C-13-H3C(O)CH3
   72704.3514  0.0141 -6.8078 3   78.7327264  5951614041613 3 2    1612 5 2      C-13-H3C(O)CH3
   72718.5995  0.0031 -7.4146 3   37.6903100  59516140412 5 7 3    11 8 4 3      C-13-H3C(O)CH3
   72738.1543  0.0057 -5.5411 3   71.0983124  5951614041513 3 3    1512 4 3      C-13-H3C(O)CH3
   72739.1293  0.0028 -7.1331 3   43.4025216  59516140413 5 8 1    12 8 5 1      C-13-H3C(O)CH3
   72744.0292  0.0032 -5.0034 3  107.1162312  5951614041914 6 0    1913 7 0      C-13-H3C(O)CH3
   72780.8298  0.0027 -7.4345 3   43.4489108  59516140413 5 8 3    12 8 5 3      C-13-H3C(O)CH3
   72787.2127  0.0091 -6.9937 3   13.4729120  595161404 7 5 2 2     6 6 1 2      C-13-H3C(O)CH3
   72804.1064  0.0040 -7.1336 3   37.6370200  59516140412 5 7 1    11 8 4 1      C-13-H3C(O)CH3
   72851.2084  0.0047 -5.2224 3   71.0455248  5951614041513 3 1    1512 4 1      C-13-H3C(O)CH3
   72859.0208  0.0029 -7.5472 3  116.8659164  5951614042014 6 3    2013 8 3      C-13-H3C(O)CH3
   72860.3769  0.0145 -6.9135 3   78.7245264  5951614041613 3 1    1612 5 1      C-13-H3C(O)CH3
   72864.4917  0.0070 -6.5339 3  107.1379156  5951614041914 5 3    1913 7 3      C-13-H3C(O)CH3
   72865.9222  0.0060 -5.5240 3   71.1747124  5951614041513 2 4    1512 3 4      C-13-H3C(O)CH3
   72902.1235  0.0044 -5.2221 3   71.0551248  5951614041513 3 2    1512 4 2      C-13-H3C(O)CH3
   72917.5705  0.0017 -5.2275 3  124.6374172  5951614042113 9 4    211210 4      C-13-H3C(O)CH3
   72919.5030  0.0205 -6.9530 3   71.0983124  5951614041513 2 3    1512 4 3      C-13-H3C(O)CH3
   72921.1342  0.0030 -7.7977 3   18.2092 68  595161404 8 6 3 4     8 3 5 4      C-13-H3C(O)CH3
   72951.4151  0.0017 -5.2269 3  124.6376172  5951614042113 9 3    211210 3      C-13-H3C(O)CH3
   72963.9373  0.0028 -7.4372 3   43.4429108  59516140413 5 8 4    12 8 5 4      C-13-H3C(O)CH3
   72969.5607  0.0075 -7.0009 3   13.4681120  595161404 7 5 2 1     6 6 1 1      C-13-H3C(O)CH3
   72988.2590  0.0048 -5.2216 3   71.1214248  5951614041513 2 1    1512 3 1      C-13-H3C(O)CH3
   72994.1195  0.0017 -4.9253 3  124.6283344 -5951614042113 9 1    211210 1      C-13-H3C(O)CH3
   73022.0260  0.0017 -4.9248 3  124.6246344 -5951614042113 9 2    211210 2      C-13-H3C(O)CH3
   73025.2070  0.0018 -5.2337 3  112.1538164  5951614042012 9 4    201110 4      C-13-H3C(O)CH3
   73043.9263  0.0016 -5.2334 3  112.1538164  5951614042012 9 3    201110 3      C-13-H3C(O)CH3
   73081.0826  0.0017 -4.9239 3  124.6154344 -5951614042113 9 0    211210 0      C-13-H3C(O)CH3
   73091.1583  0.0016 -4.9316 3  112.1396328 -5951614042012 9 1    201110 1      C-13-H3C(O)CH3
   73096.0238  0.0016 -4.9314 3  112.1363328 -5951614042012 9 2    201110 2      C-13-H3C(O)CH3
   73103.4534  0.0046 -5.2208 3   71.1229248  5951614041513 2 2    1512 3 2      C-13-H3C(O)CH3
   73127.8664  0.0024 -4.9651 3   88.8682296  59516140418 9 9 2    18 810 2      C-13-H3C(O)CH3
   73130.0436  0.0023 -5.2668 3   88.8957148  59516140418 9 9 3    18 810 3      C-13-H3C(O)CH3
   73137.8752  0.0032 -5.2667 3   88.8958148  59516140418 9 9 4    18 810 4      C-13-H3C(O)CH3
   73152.2825  0.0016 -4.9305 3  112.1221328 -5951614042012 9 0    201110 0      C-13-H3C(O)CH3
   73173.2974  0.0022 -4.9642 3   88.8432296  59516140418 9 9 0    18 810 0      C-13-H3C(O)CH3
   73177.1220  0.0045 -5.2196 3   71.0714248  5951614041513 2 0    1512 3 0      C-13-H3C(O)CH3
   73179.0970  0.0023 -4.9648 3   88.8707296  59516140418 9 9 1    18 810 1      C-13-H3C(O)CH3
   73269.5234  0.0141 -8.1566 3   46.9246108  59516140413 7 6 4    1210 2 4      C-13-H3C(O)CH3
   73275.0186  0.0060 -5.0578 3  344.7983568 -595161404352114 2    352015 2      C-13-H3C(O)CH3
   73275.7791  0.0044 -5.2185 3   71.0679248 -5951614041513 3 0    1512 4 0      C-13-H3C(O)CH3
   73281.3604  0.0054 -6.1390 3  116.8539328  5951614042014 6 2    2013 8 2      C-13-H3C(O)CH3
   73291.2274  0.0045 -5.0580 3  344.8308568 -595161404352114 0    352015 0      C-13-H3C(O)CH3
   73332.9733  0.0059 -6.0239 3  116.8546328  5951614042014 6 1    2013 8 1      C-13-H3C(O)CH3
   73334.4272  0.0143 -8.0762 3   55.0159232  59516140414 8 6 2    1311 3 2      C-13-H3C(O)CH3
   73347.9581  0.0060 -5.3583 3  344.7803284  595161404352114 4    352015 4      C-13-H3C(O)CH3
   73352.3646  0.0081 -7.6730 3   39.3018100  59516140412 6 6 3    11 9 3 3      C-13-H3C(O)CH3
   73354.7303  0.0138 -6.0311 3   97.9692148  5951614041814 5 3    1813 5 3      C-13-H3C(O)CH3
   73361.1172  0.0105 -5.3582 3  344.7800284  595161404352114 3    352015 3      C-13-H3C(O)CH3
   73370.4936  0.0066 -5.0574 3  344.8125568  595161404352114 1    352015 1      C-13-H3C(O)CH3
   73401.7136  0.0044 -7.4638 3   37.6676100  59516140412 5 7 4    11 8 4 4      C-13-H3C(O)CH3
   73428.0348  0.0036 -4.9255 3  134.9809360 -595161404221210 2    221111 2      C-13-H3C(O)CH3
   73429.9694  0.0032 -4.9252 3  134.9748360  595161404221210 0    221111 0      C-13-H3C(O)CH3
   73439.0230  0.0034 -7.9321 3   18.1450136  595161404 8 6 3 1     8 3 5 1      C-13-H3C(O)CH3
   73515.4504  0.0040 -8.0140 3   18.1439136  595161404 8 6 3 2     8 3 5 2      C-13-H3C(O)CH3
   73515.6375  0.0011 -5.7151 3    5.3967 44 -595161404 5 3 3 4     4 2 2 4      C-13-H3C(O)CH3
   73532.1801  0.0041 -5.2260 3  134.9917180  595161404221210 3    221111 3      C-13-H3C(O)CH3
   73539.9145  0.0035 -4.9246 3  134.9856360 -595161404221210 1    221111 1      C-13-H3C(O)CH3
   73546.5389  0.0049 -5.2258 3  134.9919180  595161404221210 4    221111 4      C-13-H3C(O)CH3
   73560.1865  0.0015 -5.7132 3    5.3959 44 -595161404 5 3 3 3     4 2 2 3      C-13-H3C(O)CH3
   73613.2754  0.0015 -5.4119 3    5.3239 88 -595161404 5 3 3 1     4 2 2 1      C-13-H3C(O)CH3
   73633.7640  0.0017 -5.4117 3    5.3228 88 -595161404 5 3 3 2     4 2 2 2      C-13-H3C(O)CH3
   73647.0613  0.0087 -5.4533 3   97.9692148  5951614041814 4 3    1813 5 3      C-13-H3C(O)CH3
   73684.0956  0.0103 -7.5585 3   39.2385200  59516140412 6 6 2    11 9 3 2      C-13-H3C(O)CH3
   73699.7421  0.0218 -6.5017 3  119.3254164  5951614042015 6 4    2014 6 4      C-13-H3C(O)CH3
   73708.6895  0.0016 -5.4104 3    5.2506 88 -595161404 5 3 3 0     4 2 2 0      C-13-H3C(O)CH3
   73720.2198  0.0078 -7.2501 3   18.1356136  595161404 8 6 3 1     7 7 0 1      C-13-H3C(O)CH3
   73742.6676  0.0108 -7.8577 3   46.8580216  59516140413 7 6 2    1210 2 2      C-13-H3C(O)CH3
   73743.3290  0.0082 -7.2260 3   18.1363136  595161404 8 6 3 2     7 7 0 2      C-13-H3C(O)CH3
   73754.5952  0.0011 -7.4966 3    3.1399 36  595161404 4 3 2 4     3 2 2 4      C-13-H3C(O)CH3
   73770.2807  0.0021 -5.2185 3  137.6977180  5951614042214 9 4    221310 4      C-13-H3C(O)CH3
   73770.5845  0.0348 -8.1498 3  475.3950332  595161404412616 4    412516 4      C-13-H3C(O)CH3
   73789.4716  0.0133 -8.0663 3   55.0066232  59516140414 8 6 1    1311 3 1      C-13-H3C(O)CH3
   73789.6349  0.0021 -5.2395 3  100.2423156  5951614041911 9 4    191010 4      C-13-H3C(O)CH3
   73799.3460  0.0016 -5.2394 3  100.2423156  5951614041911 9 3    191010 3      C-13-H3C(O)CH3
   73820.0961  0.0101 -5.6634 3  107.1237312  5951614041914 5 2    1913 7 2      C-13-H3C(O)CH3
   73830.0919  0.0019 -5.2171 3  137.6980180  5951614042214 9 3    221310 3      C-13-H3C(O)CH3
   73844.2625  0.0016 -4.9373 3  100.2200312 -5951614041911 9 2    191010 2      C-13-H3C(O)CH3
   73853.5315  0.0016 -4.9374 3  100.2228312 -5951614041911 9 1    191010 1      C-13-H3C(O)CH3
   73868.4360  0.0020 -4.9158 3  137.6934360 -5951614042214 9 1    221310 1      C-13-H3C(O)CH3
   73874.9944  0.0113 -6.0853 3  116.8612164  5951614042014 6 4    2013 8 4      C-13-H3C(O)CH3
   73876.8649  0.0014 -7.7364 3    3.0671 72  595161404 4 3 2 1     3 2 2 1      C-13-H3C(O)CH3
   73886.9161  0.0015 -7.8233 3    3.0668 72  595161404 4 3 2 2     3 2 2 2      C-13-H3C(O)CH3
   73903.1701  0.0016 -4.9363 3  100.2005312 -5951614041911 9 0    191010 0      C-13-H3C(O)CH3
   73903.8940  0.0023 -7.2057 3    1.2867 28  595161404 3 3 1 4     2 0 2 4      C-13-H3C(O)CH3
   73907.5815  0.0112 -7.8516 3   46.8570216  59516140413 7 6 1    1210 2 1      C-13-H3C(O)CH3
   73913.4510  0.0029 -7.1721 3    8.8185 52  595161404 6 3 3 4     5 4 1 4      C-13-H3C(O)CH3
   73927.8213  0.0019 -4.9150 3  137.6895360 -5951614042214 9 2    221310 2      C-13-H3C(O)CH3
   73929.2685  0.0104 -5.6846 3  107.1208312  5951614041914 5 1    1913 7 1      C-13-H3C(O)CH3
   73980.1384  0.0089 -7.5556 3   39.2317200  59516140412 6 6 1    11 9 3 1      C-13-H3C(O)CH3
   73995.1295  0.0020 -4.9140 3  137.6851360 -5951614042214 9 0    221310 0      C-13-H3C(O)CH3
   74013.3778  0.0052 -5.3547 3   97.8844148  5951614041814 5 4    1813 6 4      C-13-H3C(O)CH3
   74018.8222  0.0071 -7.3752 3   13.5014 60  595161404 7 5 2 4     6 6 1 4      C-13-H3C(O)CH3
   74067.4819  0.0077 -5.1530 3  428.8647632  595161404392415 0    392316 0      C-13-H3C(O)CH3
   74070.5746  0.0039 -7.4298 3    8.7427104  595161404 6 3 3 2     5 4 1 2      C-13-H3C(O)CH3
   74096.2854  0.0033 -7.3469 3    8.7434104  595161404 6 3 3 1     5 4 1 1      C-13-H3C(O)CH3
   74109.2166  0.0041 -5.0455 3   97.9457296  5951614041814 4 0    1813 5 0      C-13-H3C(O)CH3
   74123.5466  0.0107 -5.1524 3  428.8437632  595161404392415 1    392316 1      C-13-H3C(O)CH3
   74212.4264  0.0063 -5.3541 3   98.0131148  5951614041814 4 4    1813 5 4      C-13-H3C(O)CH3
   74214.5915  0.0091 -5.1515 3  428.8268632  595161404392415 2    392316 2      C-13-H3C(O)CH3
   74240.3257  0.0049 -5.0692 3   97.9749296  5951614041814 4 1    1813 5 1      C-13-H3C(O)CH3
   74266.0069  0.0083 -5.4520 3  428.8060316  595161404392415 4    392316 4      C-13-H3C(O)CH3
   74271.5248  0.0148 -5.4520 3  428.8058316  595161404392415 3    392316 3      C-13-H3C(O)CH3
   74281.3726  0.0054 -7.6042 3  234.6130504  595161404311021 0    301318 0      C-13-H3C(O)CH3
   74281.5288  0.0054 -7.6042 3  234.6129504  595161404311121 0    301218 0      C-13-H3C(O)CH3
   74293.6743  0.0059 -5.6618 3   63.8871116  5951614041413 2 4    1412 3 4      C-13-H3C(O)CH3
   74322.9319  0.0027 -6.8572 3    1.2113 56  595161404 3 3 1 1     2 0 2 1      C-13-H3C(O)CH3
   74341.6784  0.0062 -7.6072 3  234.5989504  595161404311021 1    301318 1      C-13-H3C(O)CH3
   74341.8324  0.0062 -7.6072 3  234.5989504  595161404311121 1    301218 1      C-13-H3C(O)CH3
   74359.3637  0.0047 -5.0760 3   97.9730296  5951614041814 4 2    1813 5 2      C-13-H3C(O)CH3
   74365.4904  0.0017 -7.1156 3    1.2866 28  595161404 3 3 1 3     2 0 2 3      C-13-H3C(O)CH3
   74368.3179  0.0062 -7.6042 3  234.5964504  595161404311021 2    301318 2      C-13-H3C(O)CH3
   74368.4804  0.0062 -7.6042 3  234.5964504  595161404311121 2    301218 2      C-13-H3C(O)CH3
   74371.7207  0.0033 -6.8523 3    1.2107 56  595161404 3 3 1 2     2 0 2 2      C-13-H3C(O)CH3
   74384.6294  0.0042 -5.0669 3   97.8980296  5951614041814 5 1    1813 6 1      C-13-H3C(O)CH3
   74404.9208  0.0056 -5.6618 3   63.9670116  5951614041413 1 3    1412 2 3      C-13-H3C(O)CH3
   74426.1675  0.0041 -7.4170 3  142.4212392  59516140424 816 0    231113 0      C-13-H3C(O)CH3
   74428.7073  0.0058 -7.9082 3  234.5823252  595161404311021 3    301318 3      C-13-H3C(O)CH3
   74428.8249  0.0062 -7.9082 3  234.5823252  595161404311021 4    301318 4      C-13-H3C(O)CH3
   74428.8678  0.0058 -7.9082 3  234.5823252  595161404311121 3    301218 3      C-13-H3C(O)CH3
   74428.9845  0.0062 -7.9082 3  234.5823252  595161404311121 4    301218 4      C-13-H3C(O)CH3
   74452.7655  0.0103 -7.5173 3   46.7887216  59516140413 7 6 0    1210 3 0      C-13-H3C(O)CH3
   74453.8161  0.0041 -7.4167 3  142.4202392  59516140424 916 0    231013 0      C-13-H3C(O)CH3
   74479.2810  0.0070 -5.2638 3  140.1584180  5951614042215 8 4    2214 9 4      C-13-H3C(O)CH3
   74479.3672  0.0059 -5.6612 3   63.9603116  5951614041413 2 3    1412 3 3      C-13-H3C(O)CH3
   74492.4616  0.0042 -5.0737 3   97.9055296  5951614041814 5 2    1813 6 2      C-13-H3C(O)CH3
   74497.1496  0.0046 -7.4207 3  142.4286392  59516140424 816 1    231113 1      C-13-H3C(O)CH3
   74523.8394  0.0046 -7.4204 3  142.4277392  59516140424 916 1    231013 1      C-13-H3C(O)CH3
   74532.5912  0.0046 -7.4175 3  142.4258392  59516140424 816 2    231113 2      C-13-H3C(O)CH3
   74555.4379  0.0069 -7.8182 3  349.2323616  595161404381226 0    371523 0      C-13-H3C(O)CH3
   74555.4386  0.0069 -7.8182 3  349.2323616  595161404381326 0    371423 0      C-13-H3C(O)CH3
   74560.2398  0.0046 -7.4172 3  142.4249392  59516140424 916 2    231013 2      C-13-H3C(O)CH3
   74567.1486  0.0082 -7.8207 3  349.2064616  595161404381226 1    371523 1      C-13-H3C(O)CH3
   74567.1493  0.0082 -7.8207 3  349.2064616  595161404381326 1    371423 1      C-13-H3C(O)CH3
   74572.9050  0.0088 -5.4432 3   97.9285148  5951614041814 5 3    1813 6 3      C-13-H3C(O)CH3
   74585.0604  0.0082 -7.8180 3  349.2044616  595161404381226 2    371523 2      C-13-H3C(O)CH3
   74585.0611  0.0082 -7.8180 3  349.2044616  595161404381326 2    371423 2      C-13-H3C(O)CH3
   74593.0090  0.0063 -5.6601 3   64.0403116  5951614041413 1 4    1412 2 4      C-13-H3C(O)CH3
   74593.6367  0.0206 -7.7085 3   78.7135132  5951614041613 3 4    1612 5 4      C-13-H3C(O)CH3
   74596.7731  0.0078 -8.1218 3  349.1785308  595161404381226 3    371523 3      C-13-H3C(O)CH3
   74596.7739  0.0078 -8.1218 3  349.1785308  595161404381326 3    371423 3      C-13-H3C(O)CH3
   74596.9515  0.0079 -8.1218 3  349.1785308  595161404381226 4    371523 4      C-13-H3C(O)CH3
   74596.9523  0.0079 -8.1218 3  349.1785308  595161404381326 4    371423 4      C-13-H3C(O)CH3
   74603.5256  0.0054 -7.7222 3  142.4333196  59516140424 816 4    231113 4      C-13-H3C(O)CH3
   74603.7425  0.0045 -7.7222 3  142.4333196  59516140424 816 3    231113 3      C-13-H3C(O)CH3
   74617.3629  0.0024 -6.8134 3    1.1356 56  595161404 3 3 1 0     2 0 2 0      C-13-H3C(O)CH3
   74623.0096  0.0053 -5.3580 3   63.9045232  5951614041413 2 1    1412 3 1      C-13-H3C(O)CH3
   74623.9091  0.0044 -6.7246 3   18.0530136  595161404 8 6 3 0     7 7 0 0      C-13-H3C(O)CH3
   74630.1067  0.0054 -7.7219 3  142.4324196  59516140424 916 4    231013 4      C-13-H3C(O)CH3
   74630.4890  0.0045 -7.7219 3  142.4324196  59516140424 916 3    231013 3      C-13-H3C(O)CH3
   74634.9053  0.0032 -7.2315 3   72.7058280  59516140417 611 0    16 9 8 0      C-13-H3C(O)CH3
   74644.0208  0.0054 -7.9142 3   82.8666280  5951614041711 6 2    1710 8 2      C-13-H3C(O)CH3
   74656.1338  0.0050 -5.3578 3   63.9149232  5951614041413 2 2    1412 3 2      C-13-H3C(O)CH3
   74686.2824  0.0036 -7.2361 3   72.7394280  59516140417 611 1    16 9 8 1      C-13-H3C(O)CH3
   74714.6962  0.0035 -7.2330 3   72.7371280  59516140417 611 2    16 9 8 2      C-13-H3C(O)CH3
   74737.1548  0.0051 -5.3574 3   63.9843232  5951614041413 1 1    1412 2 1      C-13-H3C(O)CH3
   74742.9693  0.0050 -7.7497 3   82.8691280  5951614041711 6 1    1710 8 1      C-13-H3C(O)CH3
   74761.9451  0.0036 -7.5388 3   72.7709140  59516140417 611 3    16 9 8 3      C-13-H3C(O)CH3
   74770.0764  0.0044 -7.5386 3   72.7706140  59516140417 611 4    16 9 8 4      C-13-H3C(O)CH3
   74844.1357  0.0049 -5.3566 3   63.9881232  5951614041413 1 2    1412 2 2      C-13-H3C(O)CH3
   74849.0617  0.0054 -7.5455 3   82.8947140  5951614041711 6 4    1710 8 4      C-13-H3C(O)CH3
   74852.6519  0.0039 -4.9403 3  140.1574360 -5951614042215 8 1    2214 9 1      C-13-H3C(O)CH3
   74865.2361  0.0132 -6.0142 3   97.9285148  5951614041814 4 3    1813 6 3      C-13-H3C(O)CH3
   74868.3203  0.0164 -7.6627 3   89.2871280  5951614041714 4 1    1713 4 1      C-13-H3C(O)CH3
   74883.0573  0.0089 -7.2881 3   18.1599 68  595161404 8 6 3 3     7 7 0 3      C-13-H3C(O)CH3
   74891.9839  0.0029 -5.2284 3  140.1607180  5951614042215 8 3    2214 9 3      C-13-H3C(O)CH3
   74897.1023  0.0023 -5.2478 3   88.9023148  5951614041810 9 4    18 910 4      C-13-H3C(O)CH3
   74901.6058  0.0017 -5.2478 3   88.9023148  5951614041810 9 3    18 910 3      C-13-H3C(O)CH3
   74949.7166  0.0017 -4.9456 3   88.8750296 -5951614041810 9 2    18 910 2      C-13-H3C(O)CH3
   74953.3267  0.0173 -6.1037 3  107.1203156  5951614041914 5 4    1913 7 4      C-13-H3C(O)CH3
   74965.4751  0.0016 -4.9457 3   88.8773296 -5951614041810 9 1    18 910 1      C-13-H3C(O)CH3
   74980.3914  0.0049 -5.3551 3   63.9324232  5951614041413 1 0    1412 2 0      C-13-H3C(O)CH3
   74993.7296  0.0049 -5.3549 3   63.9320232  5951614041413 2 0    1412 3 0      C-13-H3C(O)CH3
   75009.4262  0.0109 -8.0736 3  486.2171728  595161404451431 1    441728 1      C-13-H3C(O)CH3
   75009.4262  0.0109 -8.0736 3  486.2171728  595161404451531 1    441628 1      C-13-H3C(O)CH3
   75015.7665  0.0016 -4.9445 3   88.8501296 -5951614041810 9 0    18 910 0      C-13-H3C(O)CH3
   75019.1929  0.0109 -8.0981 3  486.2158728  595161404451431 2    441728 2      C-13-H3C(O)CH3
   75019.1929  0.0109 -8.0981 3  486.2158728  595161404451531 2    441628 2      C-13-H3C(O)CH3
   75024.1295  0.0034 -4.9336 3  140.1555360 -5951614042215 8 2    2214 9 2      C-13-H3C(O)CH3
   75042.7220  0.0092 -7.3576 3   18.1546 68  595161404 8 6 3 3     7 7 1 3      C-13-H3C(O)CH3
   75057.2682  0.0090 -8.0707 3  486.2437728  595161404451531 0    441728 0      C-13-H3C(O)CH3
   75057.2682  0.0090 -8.0811 3  486.2437728  595161404451431 0    441628 0      C-13-H3C(O)CH3
   75065.6800  0.0112 -8.1036 3  292.7725520  595161404322112 1    322012 1      C-13-H3C(O)CH3
   75141.3986  0.0037 -5.0342 3   97.9081296  5951614041814 5 0    1813 6 0      C-13-H3C(O)CH3
   75143.3473  0.0084 -5.3448 3  129.4289172  5951614042115 7 4    2114 8 4      C-13-H3C(O)CH3
   75162.1038  0.0153 -8.1350 3  292.7483260  595161404322112 3    322012 3      C-13-H3C(O)CH3
   75204.7429  0.0093 -7.8514 3   39.2407100  59516140412 6 6 4    11 9 3 4      C-13-H3C(O)CH3
   75211.0460  0.0162 -7.5490 3   89.2875280  5951614041714 4 2    1713 4 2      C-13-H3C(O)CH3
   75212.7598  0.0026 -4.9233 3  140.1533360 -5951614042215 8 0    2214 9 0      C-13-H3C(O)CH3
   75243.5617  0.0052 -5.1146 3  406.3557616  595161404382315 0    382216 0      C-13-H3C(O)CH3
   75258.7101  0.0064 -5.1141 3  406.3195616  595161404382315 2    382216 2      C-13-H3C(O)CH3
   75282.5880  0.0136 -5.8675 3  119.3007328  5951614042015 6 1    2014 6 1      C-13-H3C(O)CH3
   75296.8198  0.0085 -5.1141 3  406.3348616  595161404382315 1    382216 1      C-13-H3C(O)CH3
   75306.2740  0.0056 -5.4147 3  406.2988308  595161404382315 4    382216 4      C-13-H3C(O)CH3
   75316.9450  0.0134 -5.4146 3  406.2986308  595161404382315 3    382216 3      C-13-H3C(O)CH3
   75321.4212  0.0052 -6.3827 3    3.8197 36  595161404 4 4 1 4     3 3 0 4      C-13-H3C(O)CH3
   75402.6870  0.0019 -5.2691 3   78.1340140 -59516140417 8 9 3    17 710 3      C-13-H3C(O)CH3
   75406.5609  0.0028 -5.2690 3   78.1340140 -59516140417 8 9 4    17 710 4      C-13-H3C(O)CH3
   75439.5204  0.0020 -4.9670 3   78.1013280  59516140417 8 9 2    17 710 2      C-13-H3C(O)CH3
   75471.7348  0.0020 -4.9669 3   78.1032280  59516140417 8 9 1    17 710 1      C-13-H3C(O)CH3
   75490.3760  0.0117 -7.9349 3   46.8494108  59516140413 7 6 3    1210 3 3      C-13-H3C(O)CH3
   75506.6956  0.0020 -4.9658 3   78.0706280  59516140417 8 9 0    17 710 0      C-13-H3C(O)CH3
   75526.9862  0.0067 -6.8817 3   18.0768136  595161404 8 6 3 2     7 7 1 2      C-13-H3C(O)CH3
   75657.4397  0.0064 -5.9265 3   57.2671108  5951614041313 1 4    1312 2 4      C-13-H3C(O)CH3
   75661.6826  0.0055 -6.8688 3   18.0708136  595161404 8 6 3 1     7 7 1 1      C-13-H3C(O)CH3
   75696.8202  0.0131 -5.7755 3  119.2983328  5951614042015 6 2    2014 6 2      C-13-H3C(O)CH3
   75738.9289  0.0029 -7.8831 3    1.2107 56  595161404 3 3 0 2     2 0 2 2      C-13-H3C(O)CH3
   75744.0492  0.0027 -7.8248 3    1.2113 56  595161404 3 3 0 1     2 0 2 1      C-13-H3C(O)CH3
   75749.5956  0.0062 -5.9261 3   57.3502108  5951614041313 0 3    1312 1 3      C-13-H3C(O)CH3
   75769.8752  0.0125 -7.7688 3   46.7903216  59516140413 7 6 2    1210 3 2      C-13-H3C(O)CH3
   75776.8318  0.0062 -5.0290 3  129.4305344  5951614042115 7 1    2114 8 1      C-13-H3C(O)CH3
   75792.6602  0.0033 -5.2063 3  151.3437188  5951614042315 9 4    231410 4      C-13-H3C(O)CH3
   75830.2359  0.0064 -5.9255 3   57.3451108  5951614041313 1 3    1312 2 3      C-13-H3C(O)CH3
   75898.5610  0.0022 -5.2024 3  151.3444188  5951614042315 9 3    231410 3      C-13-H3C(O)CH3
   75924.1411  0.0066 -5.9251 3   57.4283108  5951614041313 0 4    1312 1 4      C-13-H3C(O)CH3
   75927.6661  0.0025 -4.9019 3  151.3441376 -5951614042315 9 1    231410 1      C-13-H3C(O)CH3
   75936.2621  0.0027 -7.8276 3    1.2867 28  595161404 3 3 0 4     2 0 2 4      C-13-H3C(O)CH3
   75992.4413  0.0060 -5.6228 3   57.2871216  5951614041313 1 1    1312 2 1      C-13-H3C(O)CH3
   76011.0441  0.0056 -5.6226 3   57.2978216  5951614041313 1 2    1312 2 2      C-13-H3C(O)CH3
   76017.1028  0.0062 -5.0187 3  129.4317344  5951614042115 7 2    2114 8 2      C-13-H3C(O)CH3
   76025.7370  0.0023 -4.9005 3  151.3405376 -5951614042315 9 2    231410 2      C-13-H3C(O)CH3
   76038.0376  0.0073 -7.9972 3  154.2325392  595161404241213 1    2315 8 1      C-13-H3C(O)CH3
   76062.9497  0.0048 -5.2549 3  129.4378172  5951614042115 7 3    2114 8 3      C-13-H3C(O)CH3
   76086.9749  0.0055 -5.6223 3   57.3701216  5951614041313 0 1    1312 1 1      C-13-H3C(O)CH3
   76094.1369  0.0024 -5.2617 3   78.1361140  59516140417 9 9 4    17 810 4      C-13-H3C(O)CH3
   76095.8837  0.0017 -5.2617 3   78.1360140  59516140417 9 9 3    17 810 3      C-13-H3C(O)CH3
   76106.8370  0.0023 -4.8991 3  151.3405376 -5951614042315 9 0    231410 0      C-13-H3C(O)CH3
   76126.5014  0.0074 -7.9907 3  154.2263392  595161404241213 2    2315 8 2      C-13-H3C(O)CH3
   76148.6456  0.0112 -7.7610 3   46.7823216  59516140413 7 6 1    1210 3 1      C-13-H3C(O)CH3
   76154.4680  0.0018 -4.9594 3   78.1034280  59516140417 9 9 2    17 810 2      C-13-H3C(O)CH3
   76155.3460  0.0063 -7.9844 3  154.2257392  595161404241213 0    2315 8 0      C-13-H3C(O)CH3
   76171.3707  0.0017 -4.9595 3   78.1053280  59516140417 9 9 1    17 810 1      C-13-H3C(O)CH3
   76186.2169  0.0053 -5.6216 3   57.3758216  5951614041313 0 2    1312 1 2      C-13-H3C(O)CH3
   76212.4413  0.0125 -6.0959 3  119.2962164  5951614042015 6 3    2014 6 3      C-13-H3C(O)CH3
   76212.4656  0.0036 -4.9025 3  174.8121408 -595161404251411 0    251312 0      C-13-H3C(O)CH3
   76215.3835  0.0042 -4.9026 3  174.8061408 -595161404251411 2    251312 2      C-13-H3C(O)CH3
   76230.7730  0.0017 -4.9582 3   78.0728280  59516140417 9 9 0    17 810 0      C-13-H3C(O)CH3
   76244.7660  0.0056 -5.6951 3    3.7378 72 -595161404 4 4 1 1     3 3 0 1      C-13-H3C(O)CH3
   76340.2638  0.0069 -5.6500 3    3.7371 72 -595161404 4 4 1 2     3 3 0 2      C-13-H3C(O)CH3
   76341.7810  0.0051 -7.0905 3   18.0951 68  595161404 8 6 3 4     7 7 1 4      C-13-H3C(O)CH3
   76347.3259  0.0055 -5.6199 3   57.3178216  5951614041313 0 0    1312 1 0      C-13-H3C(O)CH3
   76348.5233  0.0055 -5.6199 3   57.3178216  5951614041313 1 0    1312 2 0      C-13-H3C(O)CH3
   76357.3918  0.0054 -5.2027 3  174.8064204  595161404251411 3    251312 3      C-13-H3C(O)CH3
   76358.7279  0.0042 -4.9015 3  174.8124408 -595161404251411 1    251312 1      C-13-H3C(O)CH3
   76369.7903  0.0058 -5.2026 3  174.8066204  595161404251411 4    251312 4      C-13-H3C(O)CH3
   76381.0405  0.0141 -6.1551 3   97.9055296  5951614041814 4 2    1813 6 2      C-13-H3C(O)CH3
   76428.7022  0.0040 -7.2012 3   13.4148 60  595161404 7 5 2 3     7 2 5 3      C-13-H3C(O)CH3
   76454.4971  0.0098 -7.9654 3  109.5860328  595161404201110 2    1914 5 2      C-13-H3C(O)CH3
   76494.3360  0.0030 -4.9393 3  129.4290344 -5951614042115 7 0    2114 8 0      C-13-H3C(O)CH3
   76529.3187  0.0100 -7.9810 3  109.5868328  595161404201110 1    1914 5 1      C-13-H3C(O)CH3
   76546.8880  0.0145 -6.2656 3   97.8980296  5951614041814 4 1    1813 6 1      C-13-H3C(O)CH3
   76581.8160  0.0037 -6.8950 3   13.3463120  595161404 7 5 2 2     7 2 5 2      C-13-H3C(O)CH3
   76585.1929  0.0199 -6.3897 3   89.2695140  5951614041714 4 3    1713 4 3      C-13-H3C(O)CH3
   76596.4673  0.0088 -5.3544 3  119.2962164  5951614042015 5 3    2014 6 3      C-13-H3C(O)CH3
   76598.2874  0.0033 -6.8983 3   13.3470120  595161404 7 5 2 1     7 2 5 1      C-13-H3C(O)CH3
   76610.9077  0.0205 -6.1083 3  142.7954180  5951614042216 7 4    2215 7 4      C-13-H3C(O)CH3
   76613.7854  0.0034 -7.2134 3   13.4148 60  595161404 7 5 2 4     7 2 5 4      C-13-H3C(O)CH3
   76656.7844  0.0027 -6.8866 3   13.2787120  595161404 7 5 2 0     7 2 5 0      C-13-H3C(O)CH3
   76699.7996  0.0023 -5.5490 3    3.8043 36 -595161404 4 4 1 3     3 3 0 3      C-13-H3C(O)CH3
   76730.4445  0.0054 -5.3926 3   89.1955140  5951614041714 4 4    1713 5 4      C-13-H3C(O)CH3
   76801.8517  0.0062 -5.4385 3   89.2695140  5951614041714 3 3    1713 4 3      C-13-H3C(O)CH3
   76838.6818  0.0061 -7.7599 3  109.5590328  595161404201110 0    1914 5 0      C-13-H3C(O)CH3
   76843.6942  0.0037 -6.8656 3   18.2090 68  595161404 8 6 2 3     8 3 5 3      C-13-H3C(O)CH3
   76917.9227  0.0241 -7.7250 3  109.6204156  5951614041915 5 4    1914 5 4      C-13-H3C(O)CH3
   76927.7158  0.0020 -5.2343 3    3.6612 72 -595161404 4 4 1 0     3 3 0 0      C-13-H3C(O)CH3
   76930.6525  0.0068 -7.3594 3   19.3088 68  595161404 8 7 2 4     8 4 4 4      C-13-H3C(O)CH3
   76963.5118  0.0064 -5.4370 3   89.2569140  5951614041714 4 3    1713 5 3      C-13-H3C(O)CH3
   76977.8593  0.0018 -5.2863 3   67.9462132  59516140416 7 9 3    16 610 3      C-13-H3C(O)CH3
   76979.6361  0.0026 -5.2863 3   67.9463132  59516140416 7 9 4    16 610 4      C-13-H3C(O)CH3
   77011.2630  0.0070 -7.0742 3   18.2195 68  595161404 8 6 2 4     7 7 0 4      C-13-H3C(O)CH3
   77038.8549  0.0062 -5.3909 3   89.3309140  5951614041714 3 4    1713 4 4      C-13-H3C(O)CH3
   77042.5355  0.0019 -4.9839 3   67.9081264  59516140416 7 9 2    16 610 2      C-13-H3C(O)CH3
   77044.9197  0.0045 -5.0899 3   89.2145280  5951614041714 4 1    1713 5 1      C-13-H3C(O)CH3
   77059.5479  0.0041 -4.9762 3  119.2844328  5951614042015 5 0    2014 6 0      C-13-H3C(O)CH3
   77063.4029  0.0019 -4.9839 3   67.9095264  59516140416 7 9 1    16 610 1      C-13-H3C(O)CH3
   77102.5245  0.0053 -6.8512 3  129.4378172  5951614042115 6 3    2114 8 3      C-13-H3C(O)CH3
   77105.3136  0.0042 -5.0898 3   89.2243280  5951614041714 4 2    1713 5 2      C-13-H3C(O)CH3
   77127.1474  0.0019 -4.9826 3   67.8714264  59516140416 7 9 0    16 610 0      C-13-H3C(O)CH3
   77136.6246  0.0036 -6.5739 3   18.1439136  595161404 8 6 2 2     8 3 5 2      C-13-H3C(O)CH3
   77138.8428  0.0033 -6.5789 3   18.1450136  595161404 8 6 2 1     8 3 5 1      C-13-H3C(O)CH3
   77151.1044  0.0053 -6.9019 3   16.9218 68  595161404 8 5 4 4     7 6 1 4      C-13-H3C(O)CH3
   77156.1375  0.0047 -5.0894 3   89.2871280  5951614041714 3 1    1713 4 1      C-13-H3C(O)CH3
   77167.1188  0.0028 -6.5543 3   18.0800136  595161404 8 6 2 0     8 3 5 0      C-13-H3C(O)CH3
   77179.2072  0.0016 -7.1679 3    3.8043 36  595161404 4 4 0 3     3 3 0 3      C-13-H3C(O)CH3
   77180.1706  0.0195 -6.3831 3   89.2569140  5951614041714 3 3    1713 5 3      C-13-H3C(O)CH3
   77214.1973  0.0046 -7.2304 3   30.3606 92  59516140411 5 7 4    10 6 4 4      C-13-H3C(O)CH3
   77219.2314  0.0024 -5.2838 3   67.9468132  59516140416 8 9 4    16 710 4      C-13-H3C(O)CH3
   77219.7072  0.0018 -5.2838 3   67.9468132  59516140416 8 9 3    16 710 3      C-13-H3C(O)CH3
   77261.1170  0.0026 -5.7118 3    8.5678104 -595161404 6 3 3 0     5 4 2 0      C-13-H3C(O)CH3
   77265.6709  0.0036 -7.2296 3   30.3589 92  59516140411 5 7 3    10 6 4 3      C-13-H3C(O)CH3
   77269.6806  0.0044 -7.2022 3   72.6533280  59516140417 711 1    16 8 8 1      C-13-H3C(O)CH3
   77273.3387  0.0057 -5.0362 3  119.3007328  5951614042015 5 1    2014 6 1      C-13-H3C(O)CH3
   77283.7615  0.0045 -5.0888 3   89.2875280  5951614041714 3 2    1713 4 2      C-13-H3C(O)CH3
   77286.9986  0.0038 -6.9239 3   30.3028184  59516140411 5 7 1    10 6 4 1      C-13-H3C(O)CH3
   77292.5959  0.0019 -4.9813 3   67.9087264  59516140416 8 9 2    16 710 2      C-13-H3C(O)CH3
   77298.8538  0.0044 -5.0869 3   89.2474280  5951614041714 3 0    1713 4 0      C-13-H3C(O)CH3
   77299.1899  0.0040 -7.1965 3   72.6170280  59516140417 711 0    16 8 8 0      C-13-H3C(O)CH3
   77307.6859  0.0018 -4.9814 3   67.9101264  59516140416 8 9 1    16 710 1      C-13-H3C(O)CH3
   77308.8343  0.0056 -7.5052 3   72.6861140  59516140417 711 4    16 8 8 4      C-13-H3C(O)CH3
   77321.6600  0.0034 -6.9191 3   18.2092 68  595161404 8 6 2 4     8 3 5 4      C-13-H3C(O)CH3
   77321.7977  0.0043 -7.5052 3   72.6856140  59516140417 711 3    16 8 8 3      C-13-H3C(O)CH3
   77345.2559  0.0044 -7.1984 3   72.6494280  59516140417 711 2    16 8 8 2      C-13-H3C(O)CH3
   77352.2910  0.0031 -6.0078 3    8.7029 52  595161404 6 3 3 3     5 4 2 3      C-13-H3C(O)CH3
   77353.7893  0.0015 -5.6106 3    3.7519 36  595161404 4 4 1 4     3 3 1 4      C-13-H3C(O)CH3
   77356.8668  0.0036 -5.7183 3    8.6330104  595161404 6 3 3 2     5 4 2 2      C-13-H3C(O)CH3
   77357.2187  0.0069 -5.3030 3  119.3254164  5951614042015 5 4    2014 6 4      C-13-H3C(O)CH3
   77361.1862  0.0037 -6.9192 3   30.2994184  59516140411 5 7 2    10 6 4 2      C-13-H3C(O)CH3
   77364.5033  0.0065 -6.8489 3   18.1363136  595161404 8 6 2 2     7 7 0 2      C-13-H3C(O)CH3
   77371.1489  0.0058 -5.0508 3  119.2983328  5951614042015 5 2    2014 6 2      C-13-H3C(O)CH3
   77380.4627  0.0061 -7.4253 3   49.3686116  59516140414 6 9 4    13 7 6 4      C-13-H3C(O)CH3
   77380.7276  0.0018 -4.9799 3   67.8720264  59516140416 8 9 0    16 710 0      C-13-H3C(O)CH3
   77406.9295  0.0036 -6.9142 3   30.2426184  59516140411 5 7 0    10 6 4 0      C-13-H3C(O)CH3
   77412.3468  0.0050 -7.1209 3   49.3223232  59516140414 6 9 1    13 7 6 1      C-13-H3C(O)CH3
   77415.8889  0.0050 -7.4251 3   49.3674116  59516140414 6 9 3    13 7 6 3      C-13-H3C(O)CH3
   77420.0395  0.0064 -6.8367 3   18.1356136  595161404 8 6 2 1     7 7 0 1      C-13-H3C(O)CH3
   77426.6216  0.0031 -5.7178 3    8.6323104  595161404 6 3 3 1     5 4 2 1      C-13-H3C(O)CH3
   77510.7966  0.0082 -8.0939 3  109.5683164  595161404201110 3    1914 5 3      C-13-H3C(O)CH3
   77513.5561  0.0024 -5.4443 3    3.7371 72  595161404 4 4 0 2     3 3 0 2      C-13-H3C(O)CH3
   77513.7602  0.0052 -7.1164 3   49.3178232  59516140414 6 9 2    13 7 6 2      C-13-H3C(O)CH3
   77520.3250  0.0023 -5.4185 3    3.7378 72  595161404 4 4 0 1     3 3 0 1      C-13-H3C(O)CH3
   77521.9178  0.0043 -5.0846 3   89.2395280  5951614041714 4 0    1713 5 0      C-13-H3C(O)CH3
   77526.8460  0.0045 -7.1132 3   49.2722232  59516140414 6 9 0    13 7 6 0      C-13-H3C(O)CH3
   77541.2363  0.0124 -8.0419 3   46.7822108  59516140413 7 6 4    1210 3 4      C-13-H3C(O)CH3
   77611.9051  0.0056 -5.2990 3  119.1949164  5951614042015 6 4    2014 7 4      C-13-H3C(O)CH3
   77640.2770  0.0016 -5.5999 3    3.8197 36  595161404 4 4 0 4     3 3 0 4      C-13-H3C(O)CH3
   77665.8884  0.0024 -5.4242 3    3.6904 72  595161404 4 4 1 1     3 3 1 1      C-13-H3C(O)CH3
   77673.3812  0.0033 -6.0367 3    8.6931 52  595161404 6 3 3 4     5 4 2 4      C-13-H3C(O)CH3
   77704.9687  0.0012 -5.5756 3    7.8496 52  595161404 6 2 4 3     5 3 3 3      C-13-H3C(O)CH3
   77707.5284  0.0030 -5.4496 3    3.6915 72  595161404 4 4 1 2     3 3 1 2      C-13-H3C(O)CH3
   77724.3774  0.0013 -5.2753 3    7.7789104 -595161404 6 2 4 2     5 3 3 2      C-13-H3C(O)CH3
   77730.9839  0.0012 -5.5755 3    7.8489 52 -595161404 6 2 4 4     5 3 3 4      C-13-H3C(O)CH3
   77737.6976  0.0013 -5.2747 3    7.7793104  595161404 6 2 4 1     5 3 3 1      C-13-H3C(O)CH3
   77740.3078  0.0087 -5.7277 3  129.4317344  5951614042115 6 2    2114 8 2      C-13-H3C(O)CH3
   77744.1319  0.0012 -5.2755 3    7.7092104 -595161404 6 2 4 0     5 3 3 0      C-13-H3C(O)CH3
   77794.6194  0.0122 -5.6578 3  142.7847360  5951614042216 7 1    2215 7 1      C-13-H3C(O)CH3
   77814.7454  0.0016 -7.1695 3    3.7672 36  595161404 4 4 1 3     3 3 1 3      C-13-H3C(O)CH3
   77822.0044  0.0050 -6.5076 3   16.8392136  595161404 8 5 4 1     7 6 1 1      C-13-H3C(O)CH3
   77828.7634  0.0090 -5.6859 3  129.4305344  5951614042115 6 1    2114 8 1      C-13-H3C(O)CH3
   77838.1556  0.0052 -6.4942 3   16.8382136  595161404 8 5 4 2     7 6 1 2      C-13-H3C(O)CH3
   77941.3188  0.0028 -4.8897 3  121.9031344 -595161404211110 2    211011 2      C-13-H3C(O)CH3
   77952.1366  0.0096 -7.2046 3  258.4220488  595161404302011 1    301911 1      C-13-H3C(O)CH3
   77963.2273  0.0136 -7.3133 3  258.4017244  595161404302011 4    301911 4      C-13-H3C(O)CH3
   77966.7834  0.0026 -4.8891 3  121.8921344 -595161404211110 0    211011 0      C-13-H3C(O)CH3
   77978.3061  0.0130 -7.7354 3  258.4023244  595161404302011 3    301911 3      C-13-H3C(O)CH3
   77988.5794  0.0030 -5.1908 3  121.9176172 -595161404211110 3    211011 3      C-13-H3C(O)CH3
   77997.0665  0.0055 -6.6685 3   18.0523136  595161404 8 6 2 0     7 7 1 0      C-13-H3C(O)CH3
   77998.2209  0.0039 -5.1907 3  121.9177172 -595161404211110 4    211011 4      C-13-H3C(O)CH3
   78018.1359  0.0027 -4.8892 3  121.9067344 -595161404211110 1    211011 1      C-13-H3C(O)CH3
   78041.9962  0.0032 -7.1965 3  127.0603344  5951614042114 7 2    2113 9 2      C-13-H3C(O)CH3
   78060.5009  0.0048 -5.0273 3  119.2081328  5951614042015 6 1    2014 7 1      C-13-H3C(O)CH3
   78069.6878  0.0217 -7.0013 3   97.8844148  5951614041814 4 4    1813 6 4      C-13-H3C(O)CH3
   78077.4197  0.0078 -7.0946 3   19.2449136  595161404 8 7 2 1     8 4 4 1      C-13-H3C(O)CH3
   78088.9769  0.0031 -6.9795 3  127.0631344  5951614042114 7 1    2113 9 1      C-13-H3C(O)CH3
   78101.4089  0.0078 -5.1798 3  472.8454664  595161404412516 0    412417 0      C-13-H3C(O)CH3
   78120.6793  0.0019 -5.3173 3   58.3382124  59516140415 6 9 3    15 510 3      C-13-H3C(O)CH3
   78121.4733  0.0025 -5.3173 3   58.3383124  59516140415 6 9 4    15 510 4      C-13-H3C(O)CH3
   78152.5095  0.0048 -4.9075 3  219.6620456 -595161404281612 2    281513 2      C-13-H3C(O)CH3
   78160.3482  0.0042 -4.9074 3  219.6781456 -595161404281612 0    281513 0      C-13-H3C(O)CH3
   78161.8710  0.0106 -5.1792 3  472.8228664  595161404412516 1    412417 1      C-13-H3C(O)CH3
   78187.2882  0.0108 -5.1028 3  408.8656616  595161404382414 0    382315 0      C-13-H3C(O)CH3
   78187.5371  0.0078 -5.1788 3  472.8073664  595161404412516 2    412417 2      C-13-H3C(O)CH3
   78195.5276  0.0018 -5.3165 3   58.3384124  59516140415 7 9 3    15 610 3      C-13-H3C(O)CH3
   78195.5314  0.0025 -5.3165 3   58.3384124  59516140415 7 9 4    15 610 4      C-13-H3C(O)CH3
   78206.3142  0.0020 -5.0147 3   58.2943248  59516140415 6 9 2    15 510 2      C-13-H3C(O)CH3
   78207.1749  0.0111 -5.1025 3  408.8465616  595161404382414 1    382315 1      C-13-H3C(O)CH3
   78220.3547  0.0020 -5.0148 3   58.2954248  59516140415 6 9 1    15 510 1      C-13-H3C(O)CH3
   78220.8567  0.0116 -5.6173 3  142.7819360  5951614042216 7 2    2215 7 2      C-13-H3C(O)CH3
   78223.0902  0.0051 -5.0412 3  119.2140328  5951614042015 6 2    2014 7 2      C-13-H3C(O)CH3
   78247.2135  0.0072 -5.4792 3  472.7850332  595161404412516 4    412417 4      C-13-H3C(O)CH3
   78248.8715  0.0139 -5.4791 3  472.7847332  595161404412516 3    412417 3      C-13-H3C(O)CH3
   78252.9450  0.0050 -6.8285 3  127.0697172  5951614042114 7 4    2113 9 4      C-13-H3C(O)CH3
   78259.5890  0.0029 -6.3170 3   16.7632136  595161404 8 5 4 0     7 6 1 0      C-13-H3C(O)CH3
   78283.2129  0.0049 -7.2280 3   23.5663 76  595161404 9 7 3 4     9 4 5 4      C-13-H3C(O)CH3
   78283.8735  0.0020 -5.0139 3   58.2945248  59516140415 7 9 2    15 610 2      C-13-H3C(O)CH3
   78294.1575  0.0020 -5.5461 3    3.7672 36  595161404 4 4 0 3     3 3 1 3      C-13-H3C(O)CH3
   78296.0043  0.0020 -5.0140 3   58.2956248  59516140415 7 9 1    15 610 1      C-13-H3C(O)CH3
   78298.0500  0.0096 -7.1032 3   19.2428136  595161404 8 7 2 2     8 4 4 2      C-13-H3C(O)CH3
   78305.4813  0.0019 -5.0132 3   58.2516248  59516140415 6 9 0    15 510 0      C-13-H3C(O)CH3
   78310.6884  0.0065 -5.2074 3  219.6538228 -595161404281612 3    281513 3      C-13-H3C(O)CH3
   78315.5885  0.0090 -7.3025 3   18.1599 68  595161404 8 6 2 3     7 7 0 3      C-13-H3C(O)CH3
   78318.5625  0.0067 -5.2073 3  219.6541228  595161404281612 4    281513 4      C-13-H3C(O)CH3
   78320.1008  0.0050 -4.9063 3  219.6700456 -595161404281612 1    281513 1      C-13-H3C(O)CH3
   78341.3588  0.0117 -5.1541 3  451.8732648  595161404402515 0    402416 0      C-13-H3C(O)CH3
   78346.5390  0.0046 -7.4283 3  179.7661440  59516140427 918 0    261215 0      C-13-H3C(O)CH3
   78348.2407  0.0060 -7.6303 3  281.7750552  595161404341123 0    331420 0      C-13-H3C(O)CH3
   78348.2644  0.0060 -7.6303 3  281.7750552  595161404341223 0    331320 0      C-13-H3C(O)CH3
   78351.1797  0.0046 -7.4283 3  179.7659440  595161404271018 0    261115 0      C-13-H3C(O)CH3
   78365.4113  0.0087 -5.3359 3  119.2244164  5951614042015 6 3    2014 7 3      C-13-H3C(O)CH3
   78384.2250  0.0019 -5.0124 3   58.2518248  59516140415 7 9 0    15 610 0      C-13-H3C(O)CH3
   78386.5648  0.0070 -7.6332 3  281.7544552  595161404341123 1    331420 1      C-13-H3C(O)CH3
   78386.5886  0.0070 -7.6332 3  281.7544552  595161404341223 1    331320 1      C-13-H3C(O)CH3
   78404.4428  0.0109 -6.3008 3  142.7797180  5951614042216 7 3    2215 7 3      C-13-H3C(O)CH3
   78410.1471  0.0070 -7.6303 3  281.7521552  595161404341123 2    331420 2      C-13-H3C(O)CH3
   78410.1723  0.0070 -7.6303 3  281.7521552  595161404341223 2    331320 2      C-13-H3C(O)CH3
   78412.2916  0.0052 -7.4318 3  179.7631440  59516140427 918 1    261215 1      C-13-H3C(O)CH3
   78416.7970  0.0052 -7.4318 3  179.7629440  595161404271018 1    261115 1      C-13-H3C(O)CH3
   78422.2983  0.0119 -5.1534 3  451.8521648  595161404402515 1    402416 1      C-13-H3C(O)CH3
   78436.4801  0.0028 -6.6242 3   16.8805 68  595161404 8 5 4 3     7 6 1 3      C-13-H3C(O)CH3
   78445.3080  0.0052 -7.4287 3  179.7603440  59516140427 918 2    261215 2      C-13-H3C(O)CH3
   78448.5114  0.0066 -7.9342 3  281.7315276  595161404341123 3    331420 3      C-13-H3C(O)CH3
   78448.5368  0.0066 -7.9342 3  281.7315276  595161404341223 3    331320 3      C-13-H3C(O)CH3
   78448.6737  0.0069 -7.9342 3  281.7315276  595161404341123 4    331420 4      C-13-H3C(O)CH3
   78448.6989  0.0069 -7.9342 3  281.7315276  595161404341223 4    331320 4      C-13-H3C(O)CH3
   78450.0068  0.0052 -7.4286 3  179.7602440  595161404271018 2    261115 2      C-13-H3C(O)CH3
   78475.2532  0.0105 -7.2288 3   18.1546 68  595161404 8 6 2 3     7 7 1 3      C-13-H3C(O)CH3
   78477.8807  0.0151 -5.1005 3  408.8299616  595161404382414 2    382315 2      C-13-H3C(O)CH3
   78484.7979  0.0019 -5.2315 3    3.6245 72  595161404 4 4 0 0     3 3 1 0      C-13-H3C(O)CH3
   78487.5882  0.0154 -5.4013 3  408.8109308  595161404382414 3    382315 3      C-13-H3C(O)CH3
   78498.9801  0.0160 -5.4013 3  408.8108308  595161404382414 4    382315 4      C-13-H3C(O)CH3
   78511.1148  0.0056 -7.7331 3  179.7574220  59516140427 918 4    261215 4      C-13-H3C(O)CH3
   78511.1816  0.0049 -7.7331 3  179.7573220  59516140427 918 3    261215 3      C-13-H3C(O)CH3
   78514.0741  0.0027 -7.8594 3  140.1607180  5951614042215 7 3    2214 9 3      C-13-H3C(O)CH3
   78515.6584  0.0056 -7.7331 3  179.7572220  595161404271018 4    261115 4      C-13-H3C(O)CH3
   78515.7507  0.0049 -7.7331 3  179.7572220  595161404271018 3    261115 3      C-13-H3C(O)CH3
   78529.7139  0.0066 -7.7866 3  119.2983344  595161404211111 2    2014 6 2      C-13-H3C(O)CH3
   78552.6151  0.0155 -5.9414 3  129.4289172  5951614042115 6 4    2114 8 4      C-13-H3C(O)CH3
   78552.9435  0.0069 -7.8047 3  119.3007344  595161404211111 1    2014 6 1      C-13-H3C(O)CH3
   78567.8280  0.0035 -7.7052 3    9.2000 52  595161404 6 4 2 3     6 1 5 3      C-13-H3C(O)CH3
   78620.1349  0.0047 -7.7388 3  119.2844344  595161404211111 0    2014 6 0      C-13-H3C(O)CH3
   78638.1472  0.0167 -5.1518 3  451.8354648  595161404402515 2    402416 2      C-13-H3C(O)CH3
   78639.3951  0.0037 -7.7069 3    9.2000 52  595161404 6 4 2 4     6 1 5 4      C-13-H3C(O)CH3
   78658.5564  0.0186 -5.9518 3  168.4333196  5951614042417 8 4    2416 8 4      C-13-H3C(O)CH3
   78675.6624  0.0035 -7.3956 3    9.1282104  595161404 6 4 2 2     6 1 5 2      C-13-H3C(O)CH3
   78678.9472  0.0092 -7.8667 3  406.1684664  595161404411328 1    401625 1      C-13-H3C(O)CH3
   78678.9473  0.0092 -7.8667 3  406.1684664  595161404411428 1    401525 1      C-13-H3C(O)CH3
   78693.6015  0.0092 -7.8640 3  406.1667664  595161404411328 2    401625 2      C-13-H3C(O)CH3
   78693.6016  0.0092 -7.8642 3  406.1667664  595161404411428 2    401525 2      C-13-H3C(O)CH3
   78695.1826  0.0077 -7.8640 3  406.1958664  595161404411328 0    401625 0      C-13-H3C(O)CH3
   78695.1827  0.0077 -7.8645 3  406.1958664  595161404411428 0    401525 0      C-13-H3C(O)CH3
   78699.9791  0.0034 -7.3986 3    9.1288104  595161404 6 4 2 1     6 1 5 1      C-13-H3C(O)CH3
   78709.4930  0.0167 -5.4520 3  451.8143324  595161404402515 3    402416 3      C-13-H3C(O)CH3
   78722.4509  0.0170 -5.4521 3  451.8144324  595161404402515 4    402416 4      C-13-H3C(O)CH3
   78737.6017  0.0035 -6.6085 3  140.1555360  5951614042215 7 2    2214 9 2      C-13-H3C(O)CH3
   78749.4373  0.0117 -6.0690 3  119.2244164  5951614042015 5 3    2014 7 3      C-13-H3C(O)CH3
   78765.7143  0.0040 -6.4030 3  140.1574360  5951614042215 7 1    2214 9 1      C-13-H3C(O)CH3
   78768.6078  0.0103 -5.0523 3  367.9916584  595161404362313 1    362214 1      C-13-H3C(O)CH3
   78772.1637  0.0031 -7.3892 3    9.0571104  595161404 6 4 2 0     6 1 5 0      C-13-H3C(O)CH3
   78803.7562  0.0244 -7.6605 3   81.1327132  5951614041614 3 3    1613 3 3      C-13-H3C(O)CH3
   78827.1879  0.0099 -5.0519 3  368.0085584  595161404362313 0    362214 0      C-13-H3C(O)CH3
   78867.2036  0.0058 -5.4736 3   81.0558132  5951614041614 3 4    1613 4 4      C-13-H3C(O)CH3
   78880.7642  0.0061 -5.6434 3    3.6915 72  595161404 4 4 0 2     3 3 1 2      C-13-H3C(O)CH3
   78888.2076  0.0166 -6.9004 3  109.5868312  5951614041915 5 1    1914 5 1      C-13-H3C(O)CH3
   78890.8619  0.0065 -7.0754 3   19.3078 68  595161404 8 7 1 3     8 4 4 3      C-13-H3C(O)CH3
   78899.1484  0.0035 -4.9571 3  119.2163328  5951614042015 6 0    2014 7 0      C-13-H3C(O)CH3
   78919.0931  0.0036 -7.2353 3  100.2005328  59516140420 713 0    191010 0      C-13-H3C(O)CH3
   78941.4423  0.0054 -5.6881 3    3.6904 72  595161404 4 4 0 1     3 3 1 1      C-13-H3C(O)CH3
   78958.4011  0.0055 -5.4761 3   81.1327132  5951614041614 2 3    1613 3 3      C-13-H3C(O)CH3
   78963.9435  0.0082 -5.2751 3  142.7797180  5951614042216 6 3    2215 7 3      C-13-H3C(O)CH3
   78966.1616  0.0040 -7.2397 3  100.2228328  59516140420 713 1    191010 1      C-13-H3C(O)CH3
   78983.0463  0.0019 -5.3634 3   49.3145116  59516140414 5 9 3    14 410 3      C-13-H3C(O)CH3
   78983.4154  0.0025 -5.3634 3   49.3145116  59516140414 5 9 4    14 410 4      C-13-H3C(O)CH3
   79003.3241  0.0019 -5.3632 3   49.3145116  59516140414 6 9 3    14 510 3      C-13-H3C(O)CH3
   79003.4530  0.0025 -5.3632 3   49.3145116  59516140414 6 9 4    14 510 4      C-13-H3C(O)CH3
   79005.0704  0.0040 -7.2365 3  100.2200328  59516140420 713 2    191010 2      C-13-H3C(O)CH3
   79009.9358  0.0140 -5.3515 3  367.9593292  595161404362313 3    362214 3      C-13-H3C(O)CH3
   79015.6106  0.0051 -8.0472 3  119.2962172  595161404211111 3    2014 6 3      C-13-H3C(O)CH3
   79016.9598  0.0145 -5.3515 3  367.9589292  595161404362313 4    362214 4      C-13-H3C(O)CH3
   79038.9898  0.0053 -5.1946 3  165.5891196  5951614042416 9 4    241510 4      C-13-H3C(O)CH3
   79042.3627  0.0058 -5.4755 3   81.1247132  5951614041614 3 3    1613 4 3      C-13-H3C(O)CH3
   79051.7289  0.0040 -7.5420 3  100.2423164  59516140420 713 3    191010 3      C-13-H3C(O)CH3
   79052.4844  0.0049 -7.5419 3  100.2423164  59516140420 713 4    191010 4      C-13-H3C(O)CH3
   79054.5340  0.0083 -6.3322 3  140.1584180  5951614042215 7 4    2214 9 4      C-13-H3C(O)CH3
   79077.1659  0.0130 -5.0500 3  367.9759584  595161404362313 2    362214 2      C-13-H3C(O)CH3
   79085.6699  0.0022 -5.0606 3   49.2646232  59516140414 5 9 2    14 410 2      C-13-H3C(O)CH3
   79095.2781  0.0022 -5.0608 3   49.2655232  59516140414 5 9 1    14 410 1      C-13-H3C(O)CH3
   79106.7231  0.0022 -5.0604 3   49.2646232  59516140414 6 9 2    14 510 2      C-13-H3C(O)CH3
   79115.7835  0.0022 -5.0605 3   49.2655232  59516140414 6 9 1    14 510 1      C-13-H3C(O)CH3
   79136.3281  0.0064 -5.4723 3   81.2017132  5951614041614 2 4    1613 3 4      C-13-H3C(O)CH3
   79148.1605  0.0104 -7.1382 3   18.0768136  595161404 8 6 2 2     7 7 1 2      C-13-H3C(O)CH3
   79150.8576  0.0053 -7.1749 3   23.5057152  595161404 9 7 3 1     9 4 5 1      C-13-H3C(O)CH3
   79178.0291  0.0159 -7.5074 3   89.2243280  5951614041714 3 2    1713 5 2      C-13-H3C(O)CH3
   79185.5972  0.0051 -5.1701 3   81.0781264  5951614041614 3 1    1613 4 1      C-13-H3C(O)CH3
   79197.0076  0.0240 -7.6561 3   81.1247132  5951614041614 2 3    1613 4 3      C-13-H3C(O)CH3
   79197.5599  0.0021 -5.0590 3   49.2157232  59516140414 5 9 0    14 410 0      C-13-H3C(O)CH3
   79218.9578  0.0021 -5.0588 3   49.2158232  59516140414 6 9 0    14 510 0      C-13-H3C(O)CH3
   79223.5919  0.0048 -5.1699 3   81.0890264  5951614041614 3 2    1613 4 2      C-13-H3C(O)CH3
   79225.4521  0.0028 -5.1830 3  165.5902196  5951614042416 9 3    241510 3      C-13-H3C(O)CH3
   79232.2922  0.0032 -4.8853 3  165.5940392 -5951614042416 9 1    241510 1      C-13-H3C(O)CH3
   79237.5236  0.0092 -5.2722 3  153.8719188  5951614042316 8 4    2315 9 4      C-13-H3C(O)CH3
   79281.3153  0.0051 -5.1698 3   81.1549264  5951614041614 2 1    1613 3 1      C-13-H3C(O)CH3
   79281.3626  0.0165 -6.7600 3  109.5860312  5951614041915 5 2    1914 5 2      C-13-H3C(O)CH3
   79301.8357  0.0064 -7.2295 3   23.5040152  595161404 9 7 3 2     9 4 5 2      C-13-H3C(O)CH3
   79326.5487  0.0258 -7.9115 3  431.2832316  595161404392515 4    392415 4      C-13-H3C(O)CH3
   79332.7369  0.0165 -7.6155 3   89.2145280  5951614041714 3 1    1713 5 1      C-13-H3C(O)CH3
   79335.6039  0.0023 -6.0015 3    3.1407 36  595161404 4 3 1 3     3 2 2 3      C-13-H3C(O)CH3
   79336.8462  0.0252 -7.9159 3  431.3024632  595161404392515 2    392415 2      C-13-H3C(O)CH3
   79361.5024  0.0086 -7.1589 3   18.0708136  595161404 8 6 2 1     7 7 1 1      C-13-H3C(O)CH3
   79375.8524  0.0028 -4.8821 3  165.5911392 -5951614042416 9 2    241510 2      C-13-H3C(O)CH3
   79398.4708  0.0056 -4.9355 3  269.5342504 -595161404311813 2    311714 2      C-13-H3C(O)CH3
   79399.5860  0.0048 -5.1689 3   81.1579264  5951614041614 2 2    1613 3 2      C-13-H3C(O)CH3
   79411.2199  0.0019 -5.1641 3  148.6948188  595161404231410 4    231311 4      C-13-H3C(O)CH3
   79417.7234  0.0021 -5.7009 3    3.0668 72  595161404 4 3 1 2     3 2 2 2      C-13-H3C(O)CH3
   79425.9814  0.0043 -4.9305 3  142.7783360  5951614042216 6 0    2215 7 0      C-13-H3C(O)CH3
   79428.7629  0.0019 -5.1639 3  148.6949188  595161404231410 3    231311 3      C-13-H3C(O)CH3
   79429.9284  0.0048 -4.9354 3  269.5583504 -595161404311813 0    311714 0      C-13-H3C(O)CH3
   79430.5976  0.0019 -5.7025 3    3.0671 72  595161404 4 3 1 1     3 2 2 1      C-13-H3C(O)CH3
   79442.7614  0.0060 -6.7901 3   16.7847136  595161404 8 5 4 2     7 6 2 2      C-13-H3C(O)CH3
   79452.9317  0.0016 -5.6952 3    2.9937 72  595161404 4 3 1 0     3 2 2 0      C-13-H3C(O)CH3
   79454.2298  0.0020 -6.0167 3    3.1399 36  595161404 4 3 1 4     3 2 2 4      C-13-H3C(O)CH3
   79460.7138  0.0019 -4.8623 3  148.6936376 -595161404231410 1    231311 1      C-13-H3C(O)CH3
   79466.4501  0.0107 -5.6777 3  168.4340392  5951614042417 8 1    2416 8 1      C-13-H3C(O)CH3
   79477.0062  0.0026 -4.8791 3  165.5954392 -5951614042416 9 0    241510 0      C-13-H3C(O)CH3
   79477.6640  0.0019 -4.8620 3  148.6894376 -595161404231410 2    231311 2      C-13-H3C(O)CH3
   79481.6135  0.0145 -6.4965 3  226.2340228  595161404281910 4    281810 4      C-13-H3C(O)CH3
   79514.3843  0.0038 -7.2282 3  100.1807328  59516140420 813 0    19 910 0      C-13-H3C(O)CH3
   79517.6785  0.0020 -4.8614 3  148.6881376 -595161404231410 0    231311 0      C-13-H3C(O)CH3
   79524.7715  0.0049 -5.1675 3   81.1118264  5951614041614 2 0    1613 3 0      C-13-H3C(O)CH3
   79541.0960  0.0041 -7.2329 3  100.2036328  59516140420 813 1    19 910 1      C-13-H3C(O)CH3
   79545.9245  0.0071 -5.2355 3  269.5199252 -595161404311813 3    311714 3      C-13-H3C(O)CH3
   79548.0580  0.0075 -5.2355 3  269.5201252 -595161404311813 4    311714 4      C-13-H3C(O)CH3
   79562.1427  0.0049 -5.1671 3   81.1105264  5951614041614 3 0    1613 4 0      C-13-H3C(O)CH3
   79565.6053  0.0066 -6.7361 3   19.1796136  595161404 8 7 1 0     8 4 4 0      C-13-H3C(O)CH3
   79570.9480  0.0049 -6.7641 3   16.7808136  595161404 8 5 4 1     7 6 2 1      C-13-H3C(O)CH3
   79576.1891  0.0057 -4.9343 3  269.5440504 -595161404311813 1    311714 1      C-13-H3C(O)CH3
   79593.2851  0.0129 -5.2042 3  497.0198680  595161404422616 0    422517 0      C-13-H3C(O)CH3
   79594.2420  0.0041 -7.2295 3  100.2003328  59516140420 813 2    19 910 2      C-13-H3C(O)CH3
   79607.4552  0.0069 -5.0222 3  142.7847360  5951614042216 6 1    2215 7 1      C-13-H3C(O)CH3
   79619.0999  0.0052 -7.5352 3  100.2234164  59516140420 813 4    19 910 4      C-13-H3C(O)CH3
   79622.3861  0.0041 -7.5352 3  100.2232164  59516140420 813 3    19 910 3      C-13-H3C(O)CH3
   79648.1505  0.0021 -5.4289 3   40.8785108  59516140413 4 9 3    13 310 3      C-13-H3C(O)CH3
   79648.3415  0.0026 -5.4289 3   40.8785108  59516140413 4 9 4    13 310 4      C-13-H3C(O)CH3
   79652.8527  0.0021 -5.4289 3   40.8785108  59516140413 5 9 3    13 410 3      C-13-H3C(O)CH3
   79652.9818  0.0026 -5.4289 3   40.8785108  59516140413 5 9 4    13 410 4      C-13-H3C(O)CH3
   79654.5619  0.0088 -6.4857 3  226.2492456  595161404281910 1    281810 1      C-13-H3C(O)CH3
   79669.2318  0.0020 -5.1640 3  162.9316196  595161404241510 4    241411 4      C-13-H3C(O)CH3
   79672.6451  0.0054 -6.3704 3    3.7519 36  595161404 4 4 0 4     3 3 1 4      C-13-H3C(O)CH3
   79674.8317  0.0111 -7.3434 3  226.2339228  595161404281910 3    281810 3      C-13-H3C(O)CH3
   79675.6090  0.0167 -6.0557 3  196.2451212  5951614042618 9 4    2617 9 4      C-13-H3C(O)CH3
   79678.8157  0.0074 -5.0310 3  142.7819360  5951614042216 6 2    2215 7 2      C-13-H3C(O)CH3
   79697.5611  0.0020 -5.1635 3  162.9318196  595161404241510 3    241411 3      C-13-H3C(O)CH3
   79707.1905  0.0128 -5.2032 3  496.9972680  595161404422616 1    422517 1      C-13-H3C(O)CH3
   79723.0721  0.0055 -4.9379 3  153.8768376 -5951614042316 8 1    2315 9 1      C-13-H3C(O)CH3
   79724.3653  0.0022 -4.8621 3  162.9347392 -595161404241510 1    241411 1      C-13-H3C(O)CH3
   79765.3151  0.0024 -5.1260 3   40.8226216  59516140413 4 9 2    13 310 2      C-13-H3C(O)CH3
   79768.0976  0.0095 -5.0052 3  329.2976552  595161404342212 1    342113 1      C-13-H3C(O)CH3
   79770.2056  0.0024 -5.1259 3   40.8226216  59516140413 5 9 2    13 410 2      C-13-H3C(O)CH3
   79770.2229  0.0021 -4.8616 3  162.9302392 -595161404241510 2    241411 2      C-13-H3C(O)CH3
   79771.7720  0.0024 -5.1262 3   40.8233216  59516140413 4 9 1    13 310 1      C-13-H3C(O)CH3
   79776.5290  0.0024 -5.1261 3   40.8233216  59516140413 5 9 1    13 410 1      C-13-H3C(O)CH3
   79797.7519  0.0098 -6.6054 3  168.4265196  5951614042417 8 3    2416 8 3      C-13-H3C(O)CH3
   79810.0836  0.0022 -4.8610 3  162.9332392 -595161404241510 0    241411 0      C-13-H3C(O)CH3
   79813.2479  0.0083 -5.2937 3  142.7954180  5951614042216 6 4    2215 7 4      C-13-H3C(O)CH3
   79858.2336  0.0171 -5.2020 3  496.9812680  595161404422616 2    422517 2      C-13-H3C(O)CH3
   79860.5352  0.0041 -5.1994 3  153.8761188  5951614042316 8 3    2315 9 3      C-13-H3C(O)CH3
   79880.3163  0.0089 -8.0376 3  180.9736424  595161404261314 1    2516 9 1      C-13-H3C(O)CH3
   79888.6493  0.0024 -5.1242 3   40.7675216  59516140413 4 9 0    13 310 0      C-13-H3C(O)CH3
   79893.6249  0.0024 -5.1242 3   40.7675216  59516140413 5 9 0    13 410 0      C-13-H3C(O)CH3
   79897.4189  0.0131 -5.7325 3  119.2140328  5951614042015 5 2    2014 7 2      C-13-H3C(O)CH3
   79901.1745  0.0100 -5.7311 3  168.4302392  5951614042417 8 2    2416 8 2      C-13-H3C(O)CH3
   79908.5548  0.0089 -5.0041 3  329.3122552  595161404342212 0    342113 0      C-13-H3C(O)CH3
   79946.1760  0.0129 -5.3050 3  329.2691276  595161404342212 3    342113 3      C-13-H3C(O)CH3
   79947.0194  0.0128 -5.3047 3  329.2685276  595161404342212 4    342113 4      C-13-H3C(O)CH3
   79947.9504  0.0072 -6.9851 3   19.2449136  595161404 8 7 1 1     8 4 4 1      C-13-H3C(O)CH3
   79955.3984  0.0050 -4.9228 3  153.8764376 -5951614042316 8 2    2315 9 2      C-13-H3C(O)CH3
   79964.5272  0.0169 -5.5020 3  496.9586340  595161404422616 3    422517 3      C-13-H3C(O)CH3
   79977.5133  0.0170 -5.5020 3  496.9588340  595161404422616 4    422517 4      C-13-H3C(O)CH3
   79998.5410  0.0074 -6.9811 3   19.2428136  595161404 8 7 1 2     8 4 4 2      C-13-H3C(O)CH3
   79999.7043  0.0021 -5.1618 3  135.0292180  595161404221310 4    221211 4      C-13-H3C(O)CH3
   80009.9889  0.0018 -5.1617 3  135.0292180  595161404221310 3    221211 3      C-13-H3C(O)CH3
   80029.3376  0.0089 -8.0306 3  180.9652424  595161404261314 2    2516 9 2      C-13-H3C(O)CH3
   80045.1841  0.0018 -4.8599 3  135.0195360 -595161404221310 2    221211 2      C-13-H3C(O)CH3
   80048.6607  0.0018 -4.8601 3  135.0232360 -595161404221310 1    221211 1      C-13-H3C(O)CH3
   80050.9441  0.0078 -7.0281 3  226.2416456  595161404281910 2    281810 2      C-13-H3C(O)CH3
   80051.2515  0.0135 -5.8183 3  119.2081328  5951614042015 5 1    2014 7 1      C-13-H3C(O)CH3
   80079.3193  0.0076 -8.0249 3  180.9711424  595161404261314 0    2516 9 0      C-13-H3C(O)CH3
   80088.6276  0.0018 -4.8592 3  135.0136360 -595161404221310 0    221211 0      C-13-H3C(O)CH3
   80092.1999  0.0109 -5.0028 3  329.2834552  595161404342212 2    342113 2      C-13-H3C(O)CH3
   80139.1414  0.0093 -5.9524 3  196.2540424  5951614042618 9 1    2617 9 1      C-13-H3C(O)CH3
   80164.0254  0.0022 -5.5234 3   33.0334100  59516140412 3 9 3    12 210 3      C-13-H3C(O)CH3
   80164.1421  0.0028 -5.5234 3   33.0334100  59516140412 3 9 4    12 210 4      C-13-H3C(O)CH3
   80164.9257  0.0022 -5.5234 3   33.0334100  59516140412 4 9 3    12 310 3      C-13-H3C(O)CH3
   80165.0294  0.0027 -5.5234 3   33.0334100  59516140412 4 9 4    12 310 4      C-13-H3C(O)CH3
   80171.4973  0.0010 -5.2877 3    9.2010 60 -595161404 7 1 6 3     6 2 5 3      C-13-H3C(O)CH3
   80171.8207  0.0010 -5.2877 3    9.2009 60 -595161404 7 1 6 4     6 2 5 4      C-13-H3C(O)CH3
   80195.1265  0.0012 -4.9864 3    9.1297120  595161404 7 1 6 1     6 2 5 1      C-13-H3C(O)CH3
   80195.1324  0.0012 -4.9865 3    9.1291120  595161404 7 1 6 2     6 2 5 2      C-13-H3C(O)CH3
   80203.2452  0.0010 -5.2872 3    9.2000 60 -595161404 7 2 6 4     6 1 5 4      C-13-H3C(O)CH3
   80203.2452  0.0010 -5.2873 3    9.2000 60 -595161404 7 2 6 3     6 1 5 3      C-13-H3C(O)CH3
   80207.4397  0.0067 -4.9826 3  324.4081552  595161404342014 2    341915 2      C-13-H3C(O)CH3
   80218.5683  0.0012 -4.9862 3    9.0580120  595161404 7 1 6 0     6 2 5 0      C-13-H3C(O)CH3
   80225.2312  0.0029 -4.8909 3  153.8792376 -5951614042316 8 0    2315 9 0      C-13-H3C(O)CH3
   80227.3008  0.0012 -4.9859 3    9.1288120 -595161404 7 2 6 1     6 1 5 1      C-13-H3C(O)CH3
   80227.8121  0.0012 -4.9860 3    9.1282120 -595161404 7 2 6 2     6 1 5 2      C-13-H3C(O)CH3
   80251.7971  0.0012 -4.9857 3    9.0571120 -595161404 7 2 6 0     6 1 5 0      C-13-H3C(O)CH3
   80258.5910  0.0099 -6.9627 3  196.2429212  5951614042618 9 3    2617 9 3      C-13-H3C(O)CH3
   80265.2656  0.0054 -4.9824 3  324.4380552  595161404342014 0    341915 0      C-13-H3C(O)CH3
   80293.9833  0.0027 -5.2203 3   32.9715200  59516140412 3 9 2    12 210 2      C-13-H3C(O)CH3
   80294.9211  0.0027 -5.2203 3   32.9715200  59516140412 4 9 2    12 310 2      C-13-H3C(O)CH3
   80298.0474  0.0027 -5.2205 3   32.9721200  59516140412 3 9 1    12 210 1      C-13-H3C(O)CH3
   80298.9585  0.0027 -5.2205 3   32.9721200  59516140412 4 9 1    12 310 1      C-13-H3C(O)CH3
   80313.2812  0.0045 -6.9310 3   16.8164 68  595161404 8 5 4 4     7 6 2 4      C-13-H3C(O)CH3
   80318.2100  0.0082 -5.2829 3  324.3899276 -595161404342014 4    341915 4      C-13-H3C(O)CH3
   80321.3051  0.0079 -5.2828 3  324.3897276 -595161404342014 3    341915 3      C-13-H3C(O)CH3
   80345.7305  0.0183 -6.0666 3  109.5683156  5951614041915 5 3    1914 5 3      C-13-H3C(O)CH3
   80375.8521  0.0062 -4.9816 3  324.4196552 -595161404342014 1    341915 1      C-13-H3C(O)CH3
   80427.7275  0.0027 -5.2184 3   32.9103200  59516140412 3 9 0    12 210 0      C-13-H3C(O)CH3
   80428.6824  0.0027 -5.2184 3   32.9103200  59516140412 4 9 0    12 310 0      C-13-H3C(O)CH3
   80464.8403  0.0153 -7.9266 3   91.8253296  5951614041811 7 0    1714 4 0      C-13-H3C(O)CH3
   80480.1857  0.0073 -7.3166 3   19.3088 68  595161404 8 7 1 4     8 4 4 4      C-13-H3C(O)CH3
   80538.4531  0.0063 -5.6111 3   73.4501124  5951614041514 2 4    1513 3 4      C-13-H3C(O)CH3
   80559.5197  0.0081 -6.1957 3  196.2486424  5951614042618 9 2    2617 9 2      C-13-H3C(O)CH3
   80561.7978  0.0024 -5.6693 3   25.7820 92  59516140411 2 9 3    11 110 3      C-13-H3C(O)CH3
   80561.8866  0.0029 -5.6693 3   25.7820 92  59516140411 2 9 4    11 110 4      C-13-H3C(O)CH3
   80561.9318  0.0024 -5.6693 3   25.7820 92  59516140411 3 9 3    11 210 3      C-13-H3C(O)CH3
   80562.0185  0.0029 -5.6693 3   25.7820 92  59516140411 3 9 4    11 210 4      C-13-H3C(O)CH3
   80593.4865  0.0050 -7.7574 3  114.5745328  5951614042013 7 2    2012 9 2      C-13-H3C(O)CH3
   80605.0501  0.0075 -5.3780 3  109.5683156  5951614041915 4 3    1914 5 3      C-13-H3C(O)CH3
   80609.1686  0.0061 -5.6110 3   73.5307124  5951614041514 1 3    1513 2 3      C-13-H3C(O)CH3
   80652.9788  0.0054 -5.2972 3  109.4959156  5951614041915 5 4    1914 6 4      C-13-H3C(O)CH3
   80684.9140  0.0077 -5.2281 3  168.4265196  5951614042417 7 3    2416 8 3      C-13-H3C(O)CH3
   80688.1754  0.0046 -7.5439 3  114.5776328  5951614042013 7 1    2012 9 1      C-13-H3C(O)CH3
   80697.7959  0.0063 -5.6104 3   73.5246124  5951614041514 2 3    1513 3 3      C-13-H3C(O)CH3
   80703.1127  0.0030 -5.3661 3   25.7141184  59516140411 2 9 2    11 110 2      C-13-H3C(O)CH3
   80703.2525  0.0030 -5.3661 3   25.7141184  59516140411 3 9 2    11 210 2      C-13-H3C(O)CH3
   80705.3007  0.0030 -5.3663 3   25.7146184  59516140411 2 9 1    11 110 1      C-13-H3C(O)CH3
   80705.4363  0.0030 -5.3663 3   25.7146184  59516140411 3 9 1    11 210 1      C-13-H3C(O)CH3
   80742.3069  0.0086 -7.6517 3   18.0951 68  595161404 8 6 2 4     7 7 1 4      C-13-H3C(O)CH3
   80770.4742  0.0068 -5.6101 3   73.6053124  5951614041514 1 4    1513 2 4      C-13-H3C(O)CH3
   80793.2228  0.0052 -7.3626 3  114.5896164  5951614042013 7 4    2012 9 4      C-13-H3C(O)CH3
   80846.3291  0.0030 -5.3641 3   25.6469184  59516140411 2 9 0    11 110 0      C-13-H3C(O)CH3
   80846.4716  0.0030 -5.3641 3   25.6469184  59516140411 3 9 0    11 210 0      C-13-H3C(O)CH3
   80858.8963  0.0086 -4.9640 3  292.7725520  595161404322111 1    322012 1      C-13-H3C(O)CH3
   80864.2497  0.0026 -5.9396 3   19.1267 84  59516140410 1 9 3    10 010 3      C-13-H3C(O)CH3
   80864.2635  0.0026 -5.9396 3   19.1267 84  59516140410 2 9 3    10 110 3      C-13-H3C(O)CH3
   80864.2823  0.0058 -5.3076 3   73.4756248  5951614041514 2 1    1513 3 1      C-13-H3C(O)CH3
   80864.3355  0.0031 -5.9396 3   19.1267 84  59516140410 1 9 4    10 010 4      C-13-H3C(O)CH3
   80864.3491  0.0031 -5.9396 3   19.1267 84  59516140410 2 9 4    10 110 4      C-13-H3C(O)CH3
   80884.5609  0.0055 -5.3075 3   73.4869248  5951614041514 2 2    1513 3 2      C-13-H3C(O)CH3
   80898.4021  0.0011 -5.5142 3    7.7664 52 -595161404 6 3 4 4     5 2 3 4      C-13-H3C(O)CH3
   80906.3729  0.0245 -7.0202 3  132.0491172  5951614042116 6 4    2115 6 4      C-13-H3C(O)CH3
   80910.1778  0.0063 -5.2960 3  109.6204156  5951614041915 4 4    1914 5 4      C-13-H3C(O)CH3
   80914.5180  0.0079 -5.0452 3  384.2691600  595161404372215 2    372116 2      C-13-H3C(O)CH3
   80918.5487  0.0015 -5.5140 3    7.7659 52 -595161404 6 3 4 3     5 2 3 3      C-13-H3C(O)CH3
   80937.6528  0.0055 -5.3074 3   73.5561248  5951614041514 1 1    1513 2 1      C-13-H3C(O)CH3
   80944.5844  0.0040 -6.6892 3   23.5659 76  595161404 9 7 2 3     9 4 5 3      C-13-H3C(O)CH3
   80953.3937  0.0077 -5.3746 3  109.5481156  5951614041915 5 3    1914 6 3      C-13-H3C(O)CH3
   80957.7584  0.0119 -5.2645 3  292.7483260  595161404322111 3    322012 3      C-13-H3C(O)CH3
   80958.5461  0.0042 -4.9977 3  109.5178312  5951614041915 5 1    1914 6 1      C-13-H3C(O)CH3
   80959.4691  0.0110 -5.2639 3  292.7476260  595161404322111 4    322012 4      C-13-H3C(O)CH3
   80967.4142  0.0014 -5.2125 3    7.6953104 -595161404 6 3 4 1     5 2 3 1      C-13-H3C(O)CH3
   80979.4036  0.0088 -5.3457 3  384.2484300  595161404372215 4    372116 4      C-13-H3C(O)CH3
   80981.8756  0.0016 -5.2127 3    7.6942104 -595161404 6 3 4 2     5 2 3 2      C-13-H3C(O)CH3
   80985.1463  0.0100 -5.3457 3  384.2482300  595161404372215 3    372116 3      C-13-H3C(O)CH3
   80985.9052  0.0058 -5.0451 3  384.3028600  595161404372215 0    372116 0      C-13-H3C(O)CH3
   81008.3841  0.0046 -4.9978 3  109.5868312  5951614041915 4 1    1914 5 1      C-13-H3C(O)CH3
   81015.6365  0.0033 -5.6363 3   19.0530168  59516140410 1 9 2    10 010 2      C-13-H3C(O)CH3
   81015.6510  0.0033 -5.6363 3   19.0530168  59516140410 2 9 2    10 110 2      C-13-H3C(O)CH3
   81016.3427  0.0033 -5.6365 3   19.0535168  59516140410 1 9 1    10 010 1      C-13-H3C(O)CH3
   81016.3567  0.0033 -5.6365 3   19.0535168  59516140410 2 9 1    10 110 1      C-13-H3C(O)CH3
   81034.2173  0.0041 -4.9992 3  109.5276312  5951614041915 5 2    1914 6 2      C-13-H3C(O)CH3
   81040.5373  0.0014 -5.2121 3    7.6235104 -595161404 6 3 4 0     5 2 3 0      C-13-H3C(O)CH3
   81046.4547  0.0052 -5.3067 3   73.5614248  5951614041514 1 2    1513 2 2      C-13-H3C(O)CH3
   81046.5708  0.0028 -5.1599 3  177.7467204  595161404251610 4    251511 4      C-13-H3C(O)CH3
   81052.5201  0.0067 -5.0445 3  384.2820600  595161404372215 1    372116 1      C-13-H3C(O)CH3
   81065.3068  0.0043 -4.9918 3  109.5590312  5951614041915 4 0    1914 5 0      C-13-H3C(O)CH3
   81068.5738  0.0077 -4.9620 3  292.7848520 -595161404322111 0    322012 0      C-13-H3C(O)CH3
   81091.4850  0.0024 -5.1588 3  177.7470204  595161404251610 3    251511 3      C-13-H3C(O)CH3
   81101.1787  0.0022 -5.1741 3  109.3987164  595161404201010 3    20 911 3      C-13-H3C(O)CH3
   81101.2486  0.0022 -4.8725 3  109.3797328 -595161404201010 2    20 911 2      C-13-H3C(O)CH3
   81106.5815  0.0032 -5.1740 3  109.3988164  595161404201010 4    20 911 4      C-13-H3C(O)CH3
   81110.0555  0.0023 -5.1599 3  121.9319172  595161404211210 4    211111 4      C-13-H3C(O)CH3
   81112.6170  0.0026 -4.8577 3  177.7538408 -595161404251610 1    251511 1      C-13-H3C(O)CH3
   81115.5301  0.0018 -5.1598 3  121.9319172  595161404211210 3    211111 3      C-13-H3C(O)CH3
   81120.4116  0.0068 -8.0694 3   72.7706132  5951614041610 6 4    16 9 8 4      C-13-H3C(O)CH3
   81132.8799  0.0046 -4.9050 3  168.4342392  5951614042417 7 0    2416 8 0      C-13-H3C(O)CH3
   81146.1247  0.0044 -4.9989 3  109.5860312  5951614041915 4 2    1914 5 2      C-13-H3C(O)CH3
   81148.0673  0.0017 -4.8580 3  121.9178344 -595161404211210 2    211111 2      C-13-H3C(O)CH3
   81148.8282  0.0021 -4.8717 3  109.3635328 -595161404201010 0    20 911 0      C-13-H3C(O)CH3
   81151.0891  0.0022 -4.8722 3  109.3825328 -595161404201010 1    20 911 1      C-13-H3C(O)CH3
   81163.2989  0.0017 -4.8581 3  121.9210344 -595161404211210 1    211111 1      C-13-H3C(O)CH3
   81167.4278  0.0034 -5.6342 3   18.9799168 -59516140410 2 9 0    10 110 0      C-13-H3C(O)CH3
   81167.4278  0.0034 -5.6342 3   18.9799168 -59516140410 1 9 0    10 010 0      C-13-H3C(O)CH3
   81172.9903  0.0091 -4.9612 3  292.7603520 -595161404322111 2    322012 2      C-13-H3C(O)CH3
   81173.4967  0.0077 -4.9878 3  168.4340392 -5951614042417 7 1    2416 8 1      C-13-H3C(O)CH3
   81186.1608  0.0071 -5.2788 3  142.6427180  5951614042216 7 4    2215 8 4      C-13-H3C(O)CH3
   81194.1506  0.0024 -4.8568 3  177.7494408 -595161404251610 2    251511 2      C-13-H3C(O)CH3
   81198.4034  0.0017 -4.8572 3  121.9069344 -595161404211210 0    211111 0      C-13-H3C(O)CH3
   81210.0841  0.0055 -5.3050 3   73.5123248  5951614041514 1 0    1513 2 0      C-13-H3C(O)CH3
   81212.7133  0.0178 -6.0575 3  109.5481156  5951614041915 4 3    1914 6 3      C-13-H3C(O)CH3
   81214.7208  0.0054 -5.3050 3   73.5122248  5951614041514 2 0    1513 3 0      C-13-H3C(O)CH3
   81236.1462  0.0025 -4.8561 3  177.7563408 -595161404251610 0    251511 0      C-13-H3C(O)CH3
   81245.8877  0.0080 -4.9761 3  168.4302392  5951614042417 7 2    2416 8 2      C-13-H3C(O)CH3
   81251.5603  0.0013 -5.1239 3   10.0331 68 -595161404 8 1 8 4     7 0 7 4      C-13-H3C(O)CH3
   81251.5603  0.0013 -5.1239 3   10.0331 68 -595161404 8 1 8 3     7 0 7 3      C-13-H3C(O)CH3
   81251.5603  0.0013 -5.1239 3   10.0331 68 -595161404 8 0 8 3     7 1 7 3      C-13-H3C(O)CH3
   81251.5603  0.0013 -5.1239 3   10.0331 68 -595161404 8 0 8 4     7 1 7 4      C-13-H3C(O)CH3
   81259.0856  0.0015 -4.8226 3    9.9591136 -595161404 8 1 8 1     7 0 7 1      C-13-H3C(O)CH3
   81259.0856  0.0014 -4.8227 3    9.9586136 -595161404 8 0 8 2     7 1 7 2      C-13-H3C(O)CH3
   81259.0856  0.0015 -4.8226 3    9.9591136 -595161404 8 0 8 1     7 1 7 1      C-13-H3C(O)CH3
   81259.0856  0.0014 -4.8227 3    9.9586136 -595161404 8 1 8 2     7 0 7 2      C-13-H3C(O)CH3
   81266.6055  0.0014 -4.8224 3    9.8848136 -595161404 8 1 8 0     7 0 7 0      C-13-H3C(O)CH3
   81266.6055  0.0014 -4.8224 3    9.8848136 -595161404 8 0 8 0     7 1 7 0      C-13-H3C(O)CH3
   81269.3817  0.0216 -6.4240 3  119.1949164  5951614042015 5 4    2014 7 4      C-13-H3C(O)CH3
   81411.7044  0.0102 -5.2943 3  168.4333196  5951614042417 7 4    2416 8 4      C-13-H3C(O)CH3
   81428.5073  0.0040 -6.3811 3   23.4437152  595161404 9 7 2 0     9 4 5 0      C-13-H3C(O)CH3
   81511.4913  0.0046 -6.4606 3   23.5057152  595161404 9 7 2 1     9 4 5 1      C-13-H3C(O)CH3
   81518.7219  0.0041 -4.9872 3  109.5427312  5951614041915 5 0    1914 6 0      C-13-H3C(O)CH3
   81525.4520  0.0048 -6.4505 3   23.5040152  595161404 9 7 2 2     9 4 5 2      C-13-H3C(O)CH3
   81636.3309  0.0040 -7.1843 3  153.8761188  5951614042316 7 3    2315 9 3      C-13-H3C(O)CH3
   81707.6766  0.0059 -5.0007 3  142.6542360  5951614042216 7 1    2215 8 1      C-13-H3C(O)CH3
   81711.7676  0.0082 -5.2099 3  196.2429212 -5951614042618 8 3    2617 9 3      C-13-H3C(O)CH3
   81731.0087  0.0077 -4.9329 3  258.4220488 -595161404302010 1    301911 1      C-13-H3C(O)CH3
   81736.5508  0.0107 -5.2329 3  258.4023244  595161404302010 3    301911 3      C-13-H3C(O)CH3
   81743.5070  0.0071 -7.8316 3   45.1373108  59516140413 6 7 4    12 9 3 4      C-13-H3C(O)CH3
   81775.0117  0.0095 -5.2349 3  258.4017244  595161404302010 4    301911 4      C-13-H3C(O)CH3
   81776.9732  0.0099 -7.5632 3   23.4181152  595161404 9 7 3 1     8 8 0 1      C-13-H3C(O)CH3
   81822.2335  0.0028 -7.0538 3   65.1421264  59516140416 610 0    15 9 7 0      C-13-H3C(O)CH3
   81824.7125  0.0104 -7.5091 3   23.4198152  595161404 9 7 3 2     8 8 0 2      C-13-H3C(O)CH3
   81856.0337  0.0069 -5.8768 3   66.3653116  5951614041414 1 4    1413 2 4      C-13-H3C(O)CH3
   81885.5504  0.0032 -7.0582 3   65.1781264  59516140416 610 1    15 9 7 1      C-13-H3C(O)CH3
   81896.5696  0.0031 -7.0555 3   65.1763264  59516140416 610 2    15 9 7 2      C-13-H3C(O)CH3
   81905.6163  0.0085 -5.1200 3  449.1033648  595161404402416 2    402317 2      C-13-H3C(O)CH3
   81908.5849  0.0067 -5.8768 3   66.4489116  5951614041414 0 3    1413 1 3      C-13-H3C(O)CH3
   81912.7363  0.0034 -4.8501 3  159.9948392 -595161404241311 2    241212 2      C-13-H3C(O)CH3
   81925.0480  0.0030 -4.8498 3  159.9967392  595161404241311 0    241212 0      C-13-H3C(O)CH3
   81926.5558  0.0049 -6.8347 3   23.5663 76  595161404 9 7 2 4     9 4 5 4      C-13-H3C(O)CH3
   81934.3419  0.0064 -5.0080 3  142.6580360  5951614042216 7 2    2215 8 2      C-13-H3C(O)CH3
   81938.7407  0.0089 -5.4207 3  449.0812324  595161404402416 4    402317 4      C-13-H3C(O)CH3
   81942.8676  0.0128 -5.4206 3  449.0810324  595161404402416 3    402317 3      C-13-H3C(O)CH3
   81944.4762  0.0032 -7.3611 3   65.2128132  59516140416 610 3    15 9 7 3      C-13-H3C(O)CH3
   81961.4143  0.0063 -5.1201 3  449.1393648  595161404402416 0    402317 0      C-13-H3C(O)CH3
   81975.0997  0.0037 -7.3608 3   65.2119132  59516140416 610 4    15 9 7 4      C-13-H3C(O)CH3
   81978.5604  0.0066 -4.9284 3  258.4321488 -595161404302010 0    301911 0      C-13-H3C(O)CH3
   81995.4652  0.0080 -5.1197 3  449.1170648  595161404402416 1    402317 1      C-13-H3C(O)CH3
   81995.5274  0.0075 -4.9403 3  196.2540424  5951614042618 8 1    2617 9 1      C-13-H3C(O)CH3
   82002.9994  0.0070 -5.8762 3   66.4447116  5951614041414 1 3    1413 2 3      C-13-H3C(O)CH3
   82003.4756  0.0041 -5.1507 3  159.9978196  595161404241311 3    241212 3      C-13-H3C(O)CH3
   82004.2248  0.0062 -6.0583 3  153.8764376  5951614042316 7 2    2315 9 2      C-13-H3C(O)CH3
   82007.3388  0.0076 -4.9283 3  258.4121488 -595161404302010 2    301911 2      C-13-H3C(O)CH3
   82013.8200  0.0047 -5.1506 3  159.9979196  595161404241311 4    241212 4      C-13-H3C(O)CH3
   82019.6165  0.0034 -4.8494 3  159.9997392 -595161404241311 1    241212 1      C-13-H3C(O)CH3
   82026.5331  0.0076 -5.2445 3  142.6588180  5951614042216 7 3    2215 8 3      C-13-H3C(O)CH3
   82039.8095  0.0093 -5.2133 3  226.2339228  5951614042819 9 3    281810 3      C-13-H3C(O)CH3
   82042.5607  0.0081 -8.0683 3   15.3584 60  595161404 7 7 1 4     7 4 3 4      C-13-H3C(O)CH3
   82055.9849  0.0069 -5.9041 3  153.8768376  5951614042316 7 1    2315 9 1      C-13-H3C(O)CH3
   82056.9186  0.0072 -5.8761 3   66.5285116  5951614041414 0 4    1413 1 4      C-13-H3C(O)CH3
   82122.1559  0.0071 -4.9207 3  196.2486424  5951614042618 8 2    2617 9 2      C-13-H3C(O)CH3
   82122.4927  0.0050 -4.8975 3  196.2586424  5951614042618 8 0    2617 9 0      C-13-H3C(O)CH3
   82153.9691  0.0072 -4.9202 3  226.2492456 -5951614042819 9 1    281810 1      C-13-H3C(O)CH3
   82155.0250  0.0108 -5.2666 3  196.2451212  5951614042618 8 4    2617 9 4      C-13-H3C(O)CH3
   82171.7114  0.0139 -5.2517 3  544.2933712  595161404442717 0    442618 0      C-13-H3C(O)CH3
   82189.1801  0.0065 -5.5734 3   66.3937232  5951614041414 1 1    1413 2 1      C-13-H3C(O)CH3
   82194.5823  0.0063 -5.5733 3   66.4052232  5951614041414 1 2    1413 2 2      C-13-H3C(O)CH3
   82213.0118  0.0096 -5.2327 3  226.2340228  5951614042819 9 4    281810 4      C-13-H3C(O)CH3
   82244.0147  0.0060 -5.5733 3   66.4773232  5951614041414 0 1    1413 1 1      C-13-H3C(O)CH3
   82284.4944  0.0135 -5.2507 3  544.2700712  595161404442717 1    442618 1      C-13-H3C(O)CH3
   82303.7669  0.0054 -7.7674 3   45.0704216  59516140413 6 7 2    12 9 3 2      C-13-H3C(O)CH3
   82306.6202  0.0115 -7.9835 3  121.8791344  595161404211210 2    2015 5 2      C-13-H3C(O)CH3
   82321.4030  0.0052 -7.4499 3  221.3999488  595161404301020 0    291317 0      C-13-H3C(O)CH3
   82322.1489  0.0052 -7.4499 3  221.3998488  595161404301120 0    291217 0      C-13-H3C(O)CH3
   82327.0512  0.0055 -7.7181 3   45.0719216  59516140413 6 7 1    12 9 3 1      C-13-H3C(O)CH3
   82343.8620  0.0057 -5.5726 3   66.4846232  5951614041414 0 2    1413 1 2      C-13-H3C(O)CH3
   82363.9017  0.0067 -4.9097 3  226.2416456 -5951614042819 9 2    281810 2      C-13-H3C(O)CH3
   82368.6892  0.0157 -5.2499 3  544.2554712  595161404442717 2    442618 2      C-13-H3C(O)CH3
   82374.8365  0.0059 -7.4532 3  221.3879488  595161404301020 1    291317 1      C-13-H3C(O)CH3
   82375.5682  0.0059 -7.4531 3  221.3879488  595161404301120 1    291217 1      C-13-H3C(O)CH3
   82383.0841  0.0057 -4.9061 3  226.2569456  5951614042819 9 0    281810 0      C-13-H3C(O)CH3
   82404.8230  0.0059 -7.4501 3  221.3853488  595161404301020 2    291317 2      C-13-H3C(O)CH3
   82405.5911  0.0059 -7.4501 3  221.3853488  595161404301120 2    291217 2      C-13-H3C(O)CH3
   82441.5120  0.0067 -7.6687 3  333.2191600  595161404371225 0    361522 0      C-13-H3C(O)CH3
   82441.5155  0.0067 -7.6687 3  333.2191600  595161404371325 0    361422 0      C-13-H3C(O)CH3
   82442.8929  0.0117 -7.9914 3  121.8783344  595161404211210 1    2015 5 1      C-13-H3C(O)CH3
   82445.5491  0.0024 -5.1609 3  109.4037164  595161404201110 4    201011 4      C-13-H3C(O)CH3
   82448.0715  0.0018 -5.1609 3  109.4037164  595161404201110 3    201011 3      C-13-H3C(O)CH3
   82454.8911  0.0079 -7.6713 3  333.1941600  595161404371225 1    361522 1      C-13-H3C(O)CH3
   82454.8947  0.0079 -7.6713 3  333.1941600  595161404371325 1    361422 1      C-13-H3C(O)CH3
   82458.3293  0.0055 -7.7543 3  221.3733244  595161404301020 3    291317 3      C-13-H3C(O)CH3
   82458.3837  0.0060 -7.7543 3  221.3733244  595161404301020 4    291317 4      C-13-H3C(O)CH3
   82459.0837  0.0055 -7.7543 3  221.3733244  595161404301120 3    291217 3      C-13-H3C(O)CH3
   82459.1340  0.0060 -7.7543 3  221.3733244  595161404301120 4    291217 4      C-13-H3C(O)CH3
   82475.1224  0.0079 -7.6687 3  333.1920600  595161404371225 2    361522 2      C-13-H3C(O)CH3
   82475.1262  0.0079 -7.6687 3  333.1920600  595161404371325 2    361422 2      C-13-H3C(O)CH3
   82476.3937  0.0148 -5.5499 3  544.2319356  595161404442717 3    442618 3      C-13-H3C(O)CH3
   82487.2069  0.0017 -4.8589 3  109.3848328 -595161404201110 2    201011 2      C-13-H3C(O)CH3
   82488.5018  0.0075 -7.9724 3  333.1670300  595161404371225 3    361522 3      C-13-H3C(O)CH3
   82488.5058  0.0075 -7.9724 3  333.1670300  595161404371325 3    361422 3      C-13-H3C(O)CH3
   82488.6663  0.0077 -7.9724 3  333.1670300  595161404371225 4    361522 4      C-13-H3C(O)CH3
   82488.6702  0.0077 -7.9724 3  333.1670300  595161404371325 4    361422 4      C-13-H3C(O)CH3
   82489.0643  0.0151 -5.5499 3  544.2323356  595161404442717 4    442618 4      C-13-H3C(O)CH3
   82501.4911  0.0128 -5.9905 3  153.8719188  5951614042316 7 4    2315 9 4      C-13-H3C(O)CH3
   82502.8879  0.0033 -4.8998 3  142.6621360 -5951614042216 7 0    2215 8 0      C-13-H3C(O)CH3
   82507.1251  0.0017 -4.8590 3  109.3874328 -595161404201110 1    201011 1      C-13-H3C(O)CH3
   82529.7434  0.0061 -5.5708 3   66.4335232  5951614041414 0 0    1413 1 0      C-13-H3C(O)CH3
   82530.1266  0.0061 -5.5708 3   66.4335232  5951614041414 1 0    1413 2 0      C-13-H3C(O)CH3
   82547.4990  0.0017 -4.8580 3  109.3686328 -595161404201110 0    201011 0      C-13-H3C(O)CH3
   82577.6973  0.0162 -6.2603 3  132.0266344  5951614042116 6 1    2115 6 1      C-13-H3C(O)CH3
   82586.0338  0.0095 -6.2586 3  142.6588180  5951614042216 6 3    2215 8 3      C-13-H3C(O)CH3
   82758.4598  0.0040 -7.2496 3  132.0076376  59516140423 815 0    221112 0      C-13-H3C(O)CH3
   82758.9933  0.0075 -7.7189 3  121.8549344  595161404211210 0    2015 5 0      C-13-H3C(O)CH3
   82807.1950  0.0104 -7.9370 3  467.4064712  595161404441530 1    431627 1      C-13-H3C(O)CH3
   82807.1950  0.0104 -7.9285 3  467.4064712  595161404441430 1    431727 1      C-13-H3C(O)CH3
   82809.8423  0.0044 -7.2537 3  132.0183376  59516140423 815 1    221112 1      C-13-H3C(O)CH3
   82818.5442  0.0104 -7.9945 3  467.4050712  595161404441430 2    431727 2      C-13-H3C(O)CH3
   82818.5442  0.0104 -7.9945 3  467.4050712  595161404441530 2    431627 2      C-13-H3C(O)CH3
   82849.4155  0.0087 -8.0359 3  467.4333712  595161404441530 0    431627 0      C-13-H3C(O)CH3
   82849.4155  0.0087 -8.0359 3  467.4333712  595161404441430 0    431727 0      C-13-H3C(O)CH3
   82849.6897  0.0044 -7.2504 3  132.0153376  59516140423 815 2    221112 2      C-13-H3C(O)CH3
   82873.4924  0.0040 -7.2483 3  132.0038376  59516140423 915 0    221012 0      C-13-H3C(O)CH3
   82898.9794  0.0164 -6.7240 3  109.5276312  5951614041915 4 2    1914 6 2      C-13-H3C(O)CH3
   82900.9468  0.0052 -7.5556 3  132.0260188  59516140423 815 4    221112 4      C-13-H3C(O)CH3
   82901.1848  0.0043 -7.5556 3  132.0260188  59516140423 815 3    221112 3      C-13-H3C(O)CH3
   82920.9182  0.0044 -7.2525 3  132.0146376  59516140423 915 1    221012 1      C-13-H3C(O)CH3
   82964.2467  0.0044 -7.2492 3  132.0115376  59516140423 915 2    221012 2      C-13-H3C(O)CH3
   82968.3541  0.0051 -6.6878 3   23.3392152  595161404 9 7 3 0     8 8 0 0      C-13-H3C(O)CH3
   83011.1354  0.0053 -7.5543 3  132.0224188  59516140423 915 4    221012 4      C-13-H3C(O)CH3
   83012.0452  0.0043 -7.5544 3  132.0223188  59516140423 915 3    221012 3      C-13-H3C(O)CH3
   83013.2874  0.0160 -6.1046 3  132.0248344  5951614042116 6 2    2115 6 2      C-13-H3C(O)CH3
   83057.3809  0.0241 -6.9508 3  100.4258148  5951614041815 4 3    1814 4 3      C-13-H3C(O)CH3
   83078.7226  0.0167 -6.8583 3  109.5178312  5951614041915 4 1    1914 6 1      C-13-H3C(O)CH3
   83179.7629  0.0057 -5.3451 3  100.3532148  5951614041815 4 4    1814 5 4      C-13-H3C(O)CH3
   83246.8615  0.0055 -5.3559 3  100.4258148  5951614041815 3 3    1814 4 3      C-13-H3C(O)CH3
   83267.4759  0.0019 -5.1722 3   97.4457156  59516140419 910 3    19 811 3      C-13-H3C(O)CH3
   83270.2029  0.0028 -5.1722 3   97.4458156  59516140419 910 4    19 811 4      C-13-H3C(O)CH3
   83277.4946  0.0100 -7.3162 3   23.4330 76  595161404 9 7 3 3     8 8 0 3      C-13-H3C(O)CH3
   83302.5975  0.0020 -4.8703 3   97.4217312 -59516140419 910 2    19 811 2      C-13-H3C(O)CH3
   83315.2771  0.0092 -7.7671 3   15.2917120  595161404 7 7 1 1     7 4 3 1      C-13-H3C(O)CH3
   83335.2657  0.0019 -4.8702 3   97.4238312 -59516140419 910 1    19 811 1      C-13-H3C(O)CH3
   83340.8535  0.0017 -7.8896 3   11.8232 60  595161404 7 3 4 4     6 4 2 4      C-13-H3C(O)CH3
   83349.7120  0.0057 -5.3551 3  100.4160148  5951614041815 4 3    1814 5 3      C-13-H3C(O)CH3
   83369.1361  0.0019 -4.8693 3   97.3998312 -59516140419 910 0    19 811 0      C-13-H3C(O)CH3
   83392.3008  0.0115 -5.5666 3  142.6580360  5951614042216 6 2    2215 8 2      C-13-H3C(O)CH3
   83406.2435  0.0079 -5.1933 3  180.4502204  5951614042517 9 4    251610 4      C-13-H3C(O)CH3
   83420.0340  0.0064 -5.3441 3  100.4885148  5951614041815 3 4    1814 4 4      C-13-H3C(O)CH3
   83439.9578  0.0098 -7.2542 3   23.4276 76  595161404 9 7 3 3     8 8 1 3      C-13-H3C(O)CH3
   83481.8499  0.0048 -5.0420 3  100.3792296  5951614041815 4 1    1814 5 1      C-13-H3C(O)CH3
   83520.5124  0.0118 -5.6012 3  142.6542360  5951614042216 6 1    2215 8 1      C-13-H3C(O)CH3
   83526.8896  0.0046 -5.0418 3  100.3903296  5951614041815 4 2    1814 5 2      C-13-H3C(O)CH3
   83539.1926  0.0237 -6.9457 3  100.4160148  5951614041815 3 3    1814 5 3      C-13-H3C(O)CH3
   83557.3272  0.0111 -7.7692 3   15.2897120  595161404 7 7 1 2     7 4 3 2      C-13-H3C(O)CH3
   83559.3542  0.0049 -5.0418 3  100.4513296  5951614041815 3 1    1814 4 1      C-13-H3C(O)CH3
   83579.6319  0.0083 -5.2046 3  518.9353696  595161404432617 0    432518 0      C-13-H3C(O)CH3
   83580.2168  0.0083 -5.2042 3  518.8988696  595161404432617 2    432518 2      C-13-H3C(O)CH3
   83612.4573  0.0104 -5.2042 3  518.9124696  595161404432617 1    432518 1      C-13-H3C(O)CH3
   83613.9222  0.0135 -5.5047 3  518.8757348  595161404432617 3    432518 3      C-13-H3C(O)CH3
   83616.1803  0.0084 -5.5047 3  518.8760348  595161404432617 4    432518 4      C-13-H3C(O)CH3
   83677.1984  0.0043 -4.8725 3  180.4594408 -5951614042517 9 1    251610 1      C-13-H3C(O)CH3
   83689.1753  0.0040 -5.1519 3  193.1521212  595161404261710 4    261611 4      C-13-H3C(O)CH3
   83689.6537  0.0046 -5.0410 3  100.4533296  5951614041815 3 2    1814 4 2      C-13-H3C(O)CH3
   83701.2105  0.0166 -5.9324 3  132.0097172  5951614042116 6 3    2115 6 3      C-13-H3C(O)CH3
   83714.9042  0.0037 -5.1608 3  180.4520204  5951614042517 9 3    251610 3      C-13-H3C(O)CH3
   83760.2908  0.0029 -5.1488 3  193.1526212  595161404261710 3    261611 3      C-13-H3C(O)CH3
   83772.1199  0.0030 -4.8485 3  193.1628424 -595161404261710 1    261611 1      C-13-H3C(O)CH3
   83784.5483  0.0047 -5.0398 3  100.4177296  5951614041815 3 0    1814 4 0      C-13-H3C(O)CH3
   83789.6014  0.0025 -5.1672 3   97.4474156  595161404191010 4    19 911 4      C-13-H3C(O)CH3
   83790.5208  0.0018 -5.1672 3   97.4473156  595161404191010 3    19 911 3      C-13-H3C(O)CH3
   83798.9238  0.0061 -6.7505 3   23.3540152  595161404 9 7 3 2     8 8 1 2      C-13-H3C(O)CH3
   83842.3849  0.0018 -4.8651 3   97.4233312 -595161404191010 2    19 911 2      C-13-H3C(O)CH3
   83862.3217  0.0018 -4.8651 3   97.4254312 -595161404191010 1    19 911 1      C-13-H3C(O)CH3
   83870.3429  0.0117 -7.9677 3  162.7978392  595161404241510 0    2318 5 0      C-13-H3C(O)CH3
   83873.7285  0.0047 -5.0389 3  100.4146296  5951614041815 4 0    1814 5 0      C-13-H3C(O)CH3
   83874.1896  0.0037 -4.8637 3  180.4577408 -5951614042517 9 2    251610 2      C-13-H3C(O)CH3
   83893.3407  0.0028 -4.8468 3  193.1589424 -595161404261710 2    261611 2      C-13-H3C(O)CH3
   83912.9032  0.0055 -6.7400 3   23.3468152  595161404 9 7 3 1     8 8 1 1      C-13-H3C(O)CH3
   83914.5782  0.0017 -4.8640 3   97.4015312 -595161404191010 0    19 911 0      C-13-H3C(O)CH3
   83938.8260  0.0028 -4.8459 3  193.1693424 -595161404261710 0    261611 0      C-13-H3C(O)CH3
   83944.5865  0.0073 -6.9981 3   23.4990 76  595161404 9 7 2 4     8 8 0 4      C-13-H3C(O)CH3
   83954.5043  0.0195 -7.7797 3  389.3384300  595161404372414 4    372314 4      C-13-H3C(O)CH3
   84004.1796  0.0029 -4.8555 3  180.4660408 -5951614042517 9 0    251610 0      C-13-H3C(O)CH3
   84014.5106  0.0088 -5.3247 3  132.0097172  5951614042116 5 3    2115 6 3      C-13-H3C(O)CH3
   84025.9885  0.0097 -8.0087 3   15.3571 60  595161404 7 7 0 3     7 4 3 3      C-13-H3C(O)CH3
   84034.0275  0.0048 -6.9508 3   44.9671216  59516140413 6 7 0    12 9 4 0      C-13-H3C(O)CH3
   84048.3287  0.0062 -6.7463 3   23.4198152  595161404 9 7 2 2     8 8 0 2      C-13-H3C(O)CH3
   84050.2148  0.0181 -7.6822 3  389.3566600  595161404372414 2    372314 2      C-13-H3C(O)CH3
   84137.6069  0.0062 -6.7356 3   23.4181152  595161404 9 7 2 1     8 8 0 1      C-13-H3C(O)CH3
   84315.6407  0.0054 -5.2323 3  131.9354172  5951614042116 6 4    2115 7 4      C-13-H3C(O)CH3
   84388.5010  0.0197 -6.0320 3  142.6427180  5951614042216 6 4    2215 8 4      C-13-H3C(O)CH3
   84417.4339  0.0056 -6.9941 3   23.3617 76  595161404 9 7 3 4     8 8 1 4      C-13-H3C(O)CH3
   84433.6435  0.0109 -8.0368 3  121.8119344  595161404211210 1    2015 6 1      C-13-H3C(O)CH3
   84439.2386  0.0042 -4.9240 3  132.0117344  5951614042116 5 0    2115 6 0      C-13-H3C(O)CH3
   84445.3039  0.0064 -5.2323 3  132.0491172  5951614042116 5 4    2115 6 4      C-13-H3C(O)CH3
   84494.2071  0.0047 -4.9445 3  132.0266344 -5951614042116 5 1    2115 6 1      C-13-H3C(O)CH3
   84511.1603  0.0044 -7.2499 3   45.0447108  59516140413 6 7 3    12 9 4 3      C-13-H3C(O)CH3
   84526.1574  0.0240 -6.4218 3  156.6238188  5951614042317 7 4    2316 7 4      C-13-H3C(O)CH3
   84567.8325  0.0057 -6.6662 3   23.3390152  595161404 9 7 2 0     8 8 1 0      C-13-H3C(O)CH3
   84596.3141  0.0069 -7.0205 3   44.9940216  59516140413 6 7 2    12 9 4 2      C-13-H3C(O)CH3
   84629.5547  0.0042 -4.9426 3  131.9582344 -5951614042116 6 1    2115 7 1      C-13-H3C(O)CH3
   84629.8239  0.0046 -4.9528 3  132.0248344 -5951614042116 5 2    2115 6 2      C-13-H3C(O)CH3
   84645.2339  0.0242 -7.6475 3  109.4959156  5951614041915 4 4    1914 6 4      C-13-H3C(O)CH3
   84736.4363  0.0043 -4.9510 3  131.9673344 -5951614042116 6 2    2115 7 2      C-13-H3C(O)CH3
   84740.7853  0.0089 -5.3177 3  131.9750172  5951614042116 6 3    2115 7 3      C-13-H3C(O)CH3
   84805.5272  0.0062 -7.0280 3   44.9893216  59516140413 6 7 1    12 9 4 1      C-13-H3C(O)CH3
   84815.1748  0.0085 -7.4599 3   15.2238120  595161404 7 7 0 0     7 4 3 0      C-13-H3C(O)CH3
   84834.0319  0.0019 -5.1824 3   86.0660148 -59516140418 810 3    18 711 3      C-13-H3C(O)CH3
   84835.3269  0.0026 -5.1823 3   86.0660148 -59516140418 810 4    18 711 4      C-13-H3C(O)CH3
   84873.2119  0.0049 -6.7221 3   12.5274 60  595161404 7 4 3 4     6 5 1 4      C-13-H3C(O)CH3
   84885.1723  0.0092 -5.2602 3  168.2256196  5951614042417 8 4    2416 9 4      C-13-H3C(O)CH3
   84895.3147  0.0019 -4.8801 3   86.0364296  59516140418 810 2    18 711 2      C-13-H3C(O)CH3
   84917.7048  0.0019 -4.8802 3   86.0381296 -59516140418 810 1    18 711 1      C-13-H3C(O)CH3
   84927.9658  0.0091 -7.2336 3   23.4330 76  595161404 9 7 2 3     8 8 0 3      C-13-H3C(O)CH3
   84978.2945  0.0018 -4.8790 3   86.0086296 -59516140418 810 0    18 711 0      C-13-H3C(O)CH3
   84990.8927  0.0043 -4.8411 3  203.1306440 -595161404271512 2    271413 2      C-13-H3C(O)CH3
   84993.5020  0.0030 -6.8240 3   25.2832 84  59516140410 5 6 4     9 6 3 4      C-13-H3C(O)CH3
   85003.3055  0.0036 -4.8409 3  203.1434440 -595161404271512 0    271413 0      C-13-H3C(O)CH3
   85017.4312  0.0025 -5.1806 3   86.0665148  59516140418 910 4    18 811 4      C-13-H3C(O)CH3
   85017.6093  0.0018 -5.1806 3   86.0664148  59516140418 910 3    18 811 3      C-13-H3C(O)CH3
   85054.0854  0.0161 -5.9189 3  131.9750172  5951614042116 5 3    2115 7 3      C-13-H3C(O)CH3
   85085.2586  0.0019 -4.8783 3   86.0369296 -59516140418 910 2    18 811 2      C-13-H3C(O)CH3
   85090.4290  0.0114 -7.2924 3   23.4276 76  595161404 9 7 2 3     8 8 1 3      C-13-H3C(O)CH3
   85102.8114  0.0018 -4.8784 3   86.0386296 -59516140418 910 1    18 811 1      C-13-H3C(O)CH3
   85112.8922  0.0034 -6.5135 3   25.2218168  59516140410 5 6 1     9 6 3 1      C-13-H3C(O)CH3
   85114.0300  0.0058 -5.1413 3  203.1241220  595161404271512 3    271413 3      C-13-H3C(O)CH3
   85115.2685  0.0028 -7.1803 3  165.5911392  5951614042416 8 2    241510 2      C-13-H3C(O)CH3
   85116.8880  0.0043 -6.8176 3   25.2792 84  59516140410 5 6 3     9 6 3 3      C-13-H3C(O)CH3
   85123.5719  0.0057 -5.1412 3  203.1242220  595161404271512 4    271413 4      C-13-H3C(O)CH3
   85129.2361  0.0044 -4.8401 3  203.1369440 -595161404271512 1    271413 1      C-13-H3C(O)CH3
   85140.2180  0.0030 -6.8716 3  165.5940392  5951614042416 8 1    241510 1      C-13-H3C(O)CH3
   85150.6133  0.0039 -6.5092 3   25.2195168  59516140410 5 6 2     9 6 3 2      C-13-H3C(O)CH3
   85170.4558  0.0018 -4.8771 3   86.0091296 -59516140418 910 0    18 811 0      C-13-H3C(O)CH3
   85177.4460  0.0062 -5.4285 3   91.7549140  5951614041715 3 4    1714 4 4      C-13-H3C(O)CH3
   85207.9518  0.0021 -6.5030 3   25.1603168  59516140410 5 6 0     9 6 3 0      C-13-H3C(O)CH3
   85213.4827  0.0030 -6.6178 3   20.7883 76  595161404 9 5 5 4     8 6 2 4      C-13-H3C(O)CH3
   85228.5166  0.0058 -5.4290 3   91.8313140  5951614041715 2 3    1714 3 3      C-13-H3C(O)CH3
   85237.2212  0.0043 -6.7690 3   12.4465120  595161404 7 4 3 2     6 5 1 2      C-13-H3C(O)CH3
   85256.7400  0.0087 -7.7515 3   15.2917120  595161404 7 7 0 1     7 4 3 1      C-13-H3C(O)CH3
   85265.6057  0.0053 -6.7561 3  165.5891196  5951614042416 8 4    241510 4      C-13-H3C(O)CH3
   85271.8724  0.0042 -6.7095 3   12.4474120  595161404 7 4 3 1     6 5 1 1      C-13-H3C(O)CH3
   85289.8240  0.0039 -4.9157 3  131.9806344 -5951614042116 6 0    2115 7 0      C-13-H3C(O)CH3
   85324.5214  0.0061 -5.4284 3   91.8241140  5951614041715 3 3    1714 4 3      C-13-H3C(O)CH3
   85340.9844  0.0087 -7.7534 3   15.2897120  595161404 7 7 0 2     7 4 3 2      C-13-H3C(O)CH3
   85374.2878  0.0065 -4.9473 3  168.2369392 -5951614042417 8 1    2416 9 1      C-13-H3C(O)CH3
   85377.8246  0.0068 -5.4279 3   91.9006140  5951614041715 2 4    1714 3 4      C-13-H3C(O)CH3
   85488.9228  0.0055 -5.1253 3   91.7844280  5951614041715 3 1    1714 4 1      C-13-H3C(O)CH3
   85512.6690  0.0052 -5.1252 3   91.7962280  5951614041715 3 2    1714 4 2      C-13-H3C(O)CH3
   85524.2452  0.0182 -7.5807 3  121.8783328  5951614042016 5 1    2015 5 1      C-13-H3C(O)CH3
   85542.4647  0.0028 -6.2710 3   20.7180152  595161404 9 5 5 1     8 6 2 1      C-13-H3C(O)CH3
   85543.1348  0.0054 -5.1253 3   91.8607280  5951614041715 2 1    1714 3 1      C-13-H3C(O)CH3
   85550.6443  0.0031 -6.2652 3   20.7169152  595161404 9 5 5 2     8 6 2 2      C-13-H3C(O)CH3
   85601.1762  0.0062 -5.1810 3  168.2329196  5951614042417 8 3    2416 9 3      C-13-H3C(O)CH3
   85640.5478  0.0067 -4.9338 3  168.2388392 -5951614042417 8 2    2416 9 2      C-13-H3C(O)CH3
   85645.7602  0.0089 -7.7520 3  134.8283360  595161404221310 0    2116 5 0      C-13-H3C(O)CH3
   85657.9696  0.0015 -6.2443 3   20.6540152  595161404 9 5 5 0     8 6 2 0      C-13-H3C(O)CH3
   85662.2859  0.0050 -5.1245 3   91.8654280  5951614041715 2 2    1714 3 2      C-13-H3C(O)CH3
   85707.7662  0.0029 -6.5527 3   20.7722 76  595161404 9 5 5 3     8 6 2 3      C-13-H3C(O)CH3
   85731.7642  0.0068 -7.3753 3   45.0043108  59516140413 6 7 4    12 9 4 4      C-13-H3C(O)CH3
   85809.9524  0.0022 -5.1212 3  190.2898212  595161404261611 4    261512 4      C-13-H3C(O)CH3
   85814.1032  0.0147 -5.8006 3  156.6139376  5951614042317 7 1    2316 7 1      C-13-H3C(O)CH3
   85819.3899  0.0054 -5.1230 3   91.8258280  5951614041715 2 0    1714 3 0      C-13-H3C(O)CH3
   85822.6956  0.0022 -5.1210 3  190.2899212  595161404261611 3    261512 3      C-13-H3C(O)CH3
   85833.1349  0.0053 -5.1229 3   91.8253280  5951614041715 3 0    1714 4 0      C-13-H3C(O)CH3
   85835.6951  0.0024 -4.8198 3  190.2996424 -595161404261611 1    261512 1      C-13-H3C(O)CH3
   85863.4595  0.0103 -7.8401 3  148.4764376  595161404231410 0    2217 5 0      C-13-H3C(O)CH3
   85868.6201  0.0023 -4.8194 3  190.2946424 -595161404261611 2    261512 2      C-13-H3C(O)CH3
   85886.8510  0.0025 -4.8191 3  190.3044424 -595161404261611 0    261512 0      C-13-H3C(O)CH3
   85895.6165  0.0181 -7.4372 3  121.8791328  5951614042016 5 2    2015 5 2      C-13-H3C(O)CH3
   86004.8467  0.0032 -4.8585 3  168.2465392 -5951614042417 8 0    2416 9 0      C-13-H3C(O)CH3
   86019.4347  0.0019 -5.2034 3   75.2647140  59516140417 710 3    17 611 3      C-13-H3C(O)CH3
   86020.0726  0.0026 -5.2034 3   75.2647140  59516140417 710 4    17 611 4      C-13-H3C(O)CH3
   86022.5400  0.0122 -7.4535 3   23.3540152  595161404 9 7 2 2     8 8 1 2      C-13-H3C(O)CH3
   86077.4237  0.0019 -5.2029 3   75.2648140  59516140417 810 3    17 711 3      C-13-H3C(O)CH3
   86077.5188  0.0025 -5.2029 3   75.2648140  59516140417 810 4    17 711 4      C-13-H3C(O)CH3
   86083.5557  0.0026 -4.8159 3  145.7252376 -595161404231211 2    231112 2      C-13-H3C(O)CH3
   86101.6137  0.0020 -4.9010 3   75.2293280 -59516140417 710 2    17 611 2      C-13-H3C(O)CH3
   86106.6497  0.0021 -5.1131 3  174.8745204  595161404251511 4    251412 4      C-13-H3C(O)CH3
   86113.5304  0.0024 -4.8154 3  145.7225376 -595161404231211 0    231112 0      C-13-H3C(O)CH3
   86115.4201  0.0021 -5.1131 3  174.8745204  595161404251511 3    251412 3      C-13-H3C(O)CH3
   86117.5762  0.0020 -4.9011 3   75.2306280 -59516140417 710 1    17 611 1      C-13-H3C(O)CH3
   86123.1756  0.0029 -5.1170 3  145.7317188  595161404231211 3    231112 3      C-13-H3C(O)CH3
   86129.7622  0.0037 -5.1169 3  145.7318188  595161404231211 4    231112 4      C-13-H3C(O)CH3
   86136.3724  0.0021 -4.8117 3  174.8806408 -595161404251511 1    251412 1      C-13-H3C(O)CH3
   86143.0514  0.0021 -4.8115 3  174.8760408 -595161404251511 2    251412 2      C-13-H3C(O)CH3
   86155.6941  0.0026 -4.8154 3  145.7290376 -595161404231211 1    231112 1      C-13-H3C(O)CH3
   86161.7544  0.0020 -4.9004 3   75.2294280 -59516140417 810 2    17 711 2      C-13-H3C(O)CH3
   86167.7076  0.0022 -4.8111 3  174.8820408 -595161404251511 0    251412 0      C-13-H3C(O)CH3
   86176.0920  0.0019 -4.9005 3   75.2307280 -59516140417 810 1    17 711 1      C-13-H3C(O)CH3
   86199.3191  0.0019 -4.8996 3   75.1953280 -59516140417 710 0    17 611 0      C-13-H3C(O)CH3
   86213.9227  0.0146 -5.2964 3  593.6817744  595161404462818 0    462719 0      C-13-H3C(O)CH3
   86260.2412  0.0019 -4.8991 3   75.1954280 -59516140417 810 0    17 711 0      C-13-H3C(O)CH3
   86266.8202  0.0144 -5.6725 3  156.6118376  5951614042317 7 2    2316 7 2      C-13-H3C(O)CH3
   86273.5369  0.0102 -7.5041 3   23.3468152  595161404 9 7 2 1     8 8 1 1      C-13-H3C(O)CH3
   86284.8528  0.0027 -7.9907 3   28.1009 84  59516140410 7 4 4    10 4 6 4      C-13-H3C(O)CH3
   86290.8730  0.0143 -5.2956 3  593.6586744  595161404462818 1    462719 1      C-13-H3C(O)CH3
   86313.9362  0.0125 -5.2953 3  593.6459744  595161404462818 2    462719 2      C-13-H3C(O)CH3
   86340.8413  0.0058 -7.4822 3  267.3195536  595161404331122 0    321419 0      C-13-H3C(O)CH3
   86340.9574  0.0058 -7.4822 3  267.3195536  595161404331222 0    321319 0      C-13-H3C(O)CH3
   86352.9826  0.0162 -6.0729 3  131.9673344  5951614042116 5 2    2115 7 2      C-13-H3C(O)CH3
   86376.3265  0.0067 -7.4852 3  267.3005536  595161404331122 1    321419 1      C-13-H3C(O)CH3
   86376.4422  0.0067 -7.4852 3  267.3005536  595161404331222 1    321319 1      C-13-H3C(O)CH3
   86388.2957  0.0114 -5.5955 3  593.6226372  595161404462818 3    462719 3      C-13-H3C(O)CH3
   86400.7564  0.0115 -5.5954 3  593.6230372  595161404462818 4    462719 4      C-13-H3C(O)CH3
   86402.8992  0.0067 -7.4823 3  267.2980536  595161404331122 2    321419 2      C-13-H3C(O)CH3
   86403.0213  0.0067 -7.4823 3  267.2980536  595161404331222 2    321319 2      C-13-H3C(O)CH3
   86438.4162  0.0063 -7.7863 3  267.2790268  595161404331122 3    321419 3      C-13-H3C(O)CH3
   86438.5380  0.0063 -7.7863 3  267.2790268  595161404331222 3    321319 3      C-13-H3C(O)CH3
   86438.5391  0.0066 -7.7863 3  267.2790268  595161404331122 4    321419 4      C-13-H3C(O)CH3
   86438.6602  0.0066 -7.7863 3  267.2790268  595161404331222 4    321319 4      C-13-H3C(O)CH3
   86488.3383  0.0073 -6.5409 3  168.2329196  5951614042417 7 3    2416 9 3      C-13-H3C(O)CH3
   86515.1693  0.0042 -7.7132 3  151.3405376  5951614042315 8 2    231410 2      C-13-H3C(O)CH3
   86539.7349  0.0026 -5.1255 3  206.2768220  595161404271711 4    271612 4      C-13-H3C(O)CH3
   86543.8029  0.0089 -7.7214 3  388.9146648  595161404401327 1    391624 1      C-13-H3C(O)CH3
   86543.8035  0.0089 -7.7214 3  388.9146648  595161404401427 1    391524 1      C-13-H3C(O)CH3
   86546.0996  0.0163 -6.2222 3  131.9582344  5951614042116 5 1    2115 7 1      C-13-H3C(O)CH3
   86548.0215  0.0085 -8.0226 3  388.8855324  595161404401327 3    391624 3      C-13-H3C(O)CH3
   86548.0221  0.0085 -8.0226 3  388.8855324  595161404401427 3    391524 3      C-13-H3C(O)CH3
   86548.1535  0.0086 -8.0225 3  388.8855324  595161404401327 4    391624 4      C-13-H3C(O)CH3
   86548.1541  0.0086 -8.0225 3  388.8855324  595161404401427 4    391524 4      C-13-H3C(O)CH3
   86556.2581  0.0075 -7.7192 3  388.9416648  595161404401327 0    391624 0      C-13-H3C(O)CH3
   86556.2586  0.0075 -7.7190 3  388.9416648  595161404401427 0    391524 0      C-13-H3C(O)CH3
   86556.8896  0.0026 -5.1252 3  206.2769220  595161404271711 3    271612 3      C-13-H3C(O)CH3
   86560.5123  0.0089 -7.7191 3  388.9127648  595161404401327 2    391624 2      C-13-H3C(O)CH3
   86560.5129  0.0089 -7.7191 3  388.9127648  595161404401427 2    391524 2      C-13-H3C(O)CH3
   86562.3984  0.0027 -4.8241 3  206.2899440 -595161404271711 1    271612 1      C-13-H3C(O)CH3
   86582.9637  0.0149 -5.9440 3  156.5992188  5951614042317 7 3    2316 7 3      C-13-H3C(O)CH3
   86584.2366  0.0044 -7.2711 3  168.1098424  59516140426 917 0    251214 0      C-13-H3C(O)CH3
   86588.8398  0.0224 -5.2624 3  570.1425728  595161404452817 0    452718 0      C-13-H3C(O)CH3
   86591.8651  0.0040 -7.4171 3  151.3441376  5951614042315 8 1    231410 1      C-13-H3C(O)CH3
   86604.6420  0.0044 -7.2709 3  168.1091424  595161404261017 0    251114 0      C-13-H3C(O)CH3
   86628.4641  0.0026 -4.8235 3  206.2849440 -595161404271711 2    271612 2      C-13-H3C(O)CH3
   86635.6153  0.0049 -7.2748 3  168.1096424  59516140426 917 1    251214 1      C-13-H3C(O)CH3
   86640.8972  0.0028 -4.8232 3  206.2979440 -595161404271711 0    271612 0      C-13-H3C(O)CH3
   86646.7050  0.0070 -7.8705 3  102.7036156  5951614041912 7 4    1911 9 4      C-13-H3C(O)CH3
   86649.0896  0.0184 -5.1938 3  521.7233696  595161404432716 0    432617 0      C-13-H3C(O)CH3
   86655.3907  0.0049 -7.2746 3  168.1090424  595161404261017 1    251114 1      C-13-H3C(O)CH3
   86660.4723  0.0033 -7.5129 3  180.4520204  5951614042517 8 3    251610 3      C-13-H3C(O)CH3
   86673.0349  0.0049 -7.2716 3  168.1067424  59516140426 917 2    251214 2      C-13-H3C(O)CH3
   86676.0109  0.0047 -7.2690 3  151.3437188  5951614042315 8 4    231410 4      C-13-H3C(O)CH3
   86693.5632  0.0049 -7.2714 3  168.1060424  595161404261017 2    251114 2      C-13-H3C(O)CH3
   86724.3487  0.0055 -7.5764 3  168.1065212  59516140426 917 4    251214 4      C-13-H3C(O)CH3
   86724.5253  0.0047 -7.5764 3  168.1065212  59516140426 917 3    251214 3      C-13-H3C(O)CH3
   86744.1699  0.0055 -7.5762 3  168.1059212  595161404261017 4    251114 4      C-13-H3C(O)CH3
   86744.4525  0.0047 -7.5762 3  168.1058212  595161404261017 3    251114 3      C-13-H3C(O)CH3
   86771.7350  0.0068 -5.5672 3   83.6865132  5951614041615 2 4    1614 3 4      C-13-H3C(O)CH3
   86802.3279  0.0065 -5.5674 3   83.7665132  5951614041615 1 3    1614 2 3      C-13-H3C(O)CH3
   86804.5216  0.0192 -5.2608 3  570.1198728  595161404452817 1    452718 1      C-13-H3C(O)CH3
   86833.0295  0.0166 -5.1925 3  521.7014696  595161404432716 1    432617 1      C-13-H3C(O)CH3
   86848.9951  0.0037 -6.6268 3  180.4577408  5951614042517 8 2    251610 2      C-13-H3C(O)CH3
   86859.6903  0.0045 -6.3232 3  180.4594408  5951614042517 8 1    251610 1      C-13-H3C(O)CH3
   86904.8157  0.0068 -5.5667 3   83.7613132  5951614041615 2 3    1614 3 3      C-13-H3C(O)CH3
   86911.7887  0.0040 -5.8036 3   12.3248120  595161404 7 4 3 0     6 5 2 0      C-13-H3C(O)CH3
   86924.7072  0.0024 -6.9111 3   57.9641248  59516140415 6 9 0    14 9 6 0      C-13-H3C(O)CH3
   86936.9249  0.0073 -5.5669 3   83.8414132  5951614041615 1 4    1614 2 4      C-13-H3C(O)CH3
   86946.6699  0.0020 -5.2361 3   65.0460132  59516140416 610 3    16 511 3      C-13-H3C(O)CH3
   86947.0017  0.0026 -5.2361 3   65.0460132  59516140416 610 4    16 511 4      C-13-H3C(O)CH3
   86951.2964  0.0120 -8.0115 3  532.9165760  595161404471532 1    461729 1      C-13-H3C(O)CH3
   86951.2964  0.0120 -8.0115 3  532.9165760  595161404471632 1    461829 1      C-13-H3C(O)CH3
   86962.9956  0.0020 -5.2359 3   65.0460132  59516140416 710 3    16 611 3      C-13-H3C(O)CH3
   86963.1532  0.0026 -5.2359 3   65.0460132  59516140416 710 4    16 611 4      C-13-H3C(O)CH3
   86974.5506  0.0094 -5.2651 3  156.5992188  5951614042317 6 3    2316 7 3      C-13-H3C(O)CH3
   86985.3057  0.0094 -5.6645 3  168.2388392  5951614042417 7 2    2416 9 2      C-13-H3C(O)CH3
   86995.9630  0.0337 -5.2595 3  570.1057728  595161404452817 2    452718 2      C-13-H3C(O)CH3
   87015.6842  0.0099 -7.9952 3  532.9408760  595161404471632 0    461829 0      C-13-H3C(O)CH3
   87015.6842  0.0099 -7.9952 3  532.9408760  595161404471532 0    461729 0      C-13-H3C(O)CH3
   87024.2481  0.0028 -6.9128 3   58.0002248  59516140415 6 9 2    14 9 6 2      C-13-H3C(O)CH3
   87027.5938  0.0024 -5.5890 3    5.7902 44 -595161404 5 4 2 4     4 3 1 4      C-13-H3C(O)CH3
   87029.4083  0.0231 -6.4241 3  121.8512164  5951614042016 5 3    2015 5 3      C-13-H3C(O)CH3
   87046.7219  0.0021 -4.9334 3   65.0045264 -59516140416 610 2    16 511 2      C-13-H3C(O)CH3
   87050.4096  0.0028 -6.9148 3   58.0009248  59516140415 6 9 1    14 9 6 1      C-13-H3C(O)CH3
   87058.3086  0.0021 -4.9336 3   65.0056264 -59516140416 610 1    16 511 1      C-13-H3C(O)CH3
   87063.6884  0.0021 -4.9333 3   65.0045264 -59516140416 710 2    16 611 2      C-13-H3C(O)CH3
   87066.3422  0.0089 -6.2833 3  180.4502204  5951614042517 8 4    251610 4      C-13-H3C(O)CH3
   87074.8214  0.0021 -4.9334 3   65.0056264 -59516140416 710 1    16 611 1      C-13-H3C(O)CH3
   87081.3504  0.0098 -5.6056 3  168.2369392  5951614042417 7 1    2416 9 1      C-13-H3C(O)CH3
   87087.0706  0.0299 -5.1908 3  521.6867696  595161404432716 2    432617 2      C-13-H3C(O)CH3
   87092.5013  0.0062 -5.2640 3   83.7195264  5951614041615 2 1    1614 3 1      C-13-H3C(O)CH3
   87094.3396  0.0028 -7.2173 3   58.0389124  59516140415 6 9 3    14 9 6 3      C-13-H3C(O)CH3
   87098.4500  0.0060 -5.2640 3   83.7316264  5951614041615 2 2    1614 3 2      C-13-H3C(O)CH3
   87115.3191  0.0035 -6.0985 3   12.4512 60  595161404 7 4 3 3     6 5 2 3      C-13-H3C(O)CH3
   87116.1196  0.0505 -7.8579 3  547.0029712  595161404442817 2    442717 2      C-13-H3C(O)CH3
   87116.1926  0.0023 -5.1036 3  160.0257196  595161404241411 4    241312 4      C-13-H3C(O)CH3
   87121.6236  0.0020 -5.1036 3  160.0257196  595161404241411 3    241312 3      C-13-H3C(O)CH3
   87125.5919  0.0059 -5.2641 3   83.7994264  5951614041615 1 1    1614 2 1      C-13-H3C(O)CH3
   87140.8860  0.0019 -4.8020 3  160.0235392 -595161404241411 2    241312 2      C-13-H3C(O)CH3
   87151.8315  0.0020 -4.8021 3  160.0276392 -595161404241411 1    241312 1      C-13-H3C(O)CH3
   87158.0264  0.0020 -4.9320 3   64.9642264 -59516140416 610 0    16 511 0      C-13-H3C(O)CH3
   87170.3744  0.0054 -4.8586 3  251.2974488 -595161404301713 2    301614 2      C-13-H3C(O)CH3
   87173.4442  0.0020 -4.8015 3  160.0254392 -595161404241411 0    241312 0      C-13-H3C(O)CH3
   87175.2506  0.0020 -4.9318 3   64.9642264 -59516140416 710 0    16 611 0      C-13-H3C(O)CH3
   87180.7699  0.0071 -7.0267 3   29.4654 84  59516140410 8 3 4    10 5 5 4      C-13-H3C(O)CH3
   87193.3478  0.0299 -5.5588 3  570.0828364  595161404452817 3    452718 3      C-13-H3C(O)CH3
   87193.4470  0.0055 -5.8507 3   12.3812120 -595161404 7 4 3 2     6 5 2 2      C-13-H3C(O)CH3
   87200.0877  0.0045 -4.8583 3  251.3187488 -595161404301713 0    301614 0      C-13-H3C(O)CH3
   87204.5905  0.0029 -7.2178 3   58.0353124  59516140415 6 9 4    14 9 6 4      C-13-H3C(O)CH3
   87230.0657  0.0333 -5.5589 3  570.0832364  595161404452817 4    452718 4      C-13-H3C(O)CH3
   87233.5423  0.0055 -5.2531 3  121.7837164  5951614042016 5 4    2015 6 4      C-13-H3C(O)CH3
   87234.0165  0.0055 -5.2634 3   83.8063264  5951614041615 1 2    1614 2 2      C-13-H3C(O)CH3
   87234.9322  0.0034 -7.0586 3   91.3523312  59516140419 712 0    1810 9 0      C-13-H3C(O)CH3
   87247.1754  0.0282 -5.4904 3  521.6648348  595161404432716 3    432617 3      C-13-H3C(O)CH3
   87259.6817  0.0058 -5.2836 3  121.8512164  5951614042016 4 3    2015 5 3      C-13-H3C(O)CH3
   87266.0527  0.0037 -7.0633 3   91.3779312  59516140419 712 1    1810 9 1      C-13-H3C(O)CH3
   87290.3201  0.0305 -5.4907 3  521.6652348  595161404432716 4    432617 4      C-13-H3C(O)CH3
   87302.4829  0.0037 -7.0601 3   91.3751312  59516140419 712 2    1810 9 2      C-13-H3C(O)CH3
   87305.5515  0.0075 -5.1587 3  251.2837244 -595161404301713 3    301614 3      C-13-H3C(O)CH3
   87312.7704  0.0069 -5.1586 3  251.2839244  595161404301713 4    301614 4      C-13-H3C(O)CH3
   87319.5169  0.0471 -7.7406 3  546.9838356  595161404442817 4    442717 4      C-13-H3C(O)CH3
   87320.0996  0.0048 -5.8556 3   12.3790120 -595161404 7 4 3 1     6 5 2 1      C-13-H3C(O)CH3
   87331.1948  0.0037 -7.3659 3   91.4008156  59516140419 712 3    1810 9 3      C-13-H3C(O)CH3
   87332.1941  0.0016 -8.0035 3    5.3967 44  595161404 5 3 2 4     4 2 2 4      C-13-H3C(O)CH3
   87335.8722  0.0046 -7.3658 3   91.4006156  59516140419 712 4    1810 9 4      C-13-H3C(O)CH3
   87336.3834  0.0057 -4.8574 3  251.3051488 -595161404301713 1    301614 1      C-13-H3C(O)CH3
   87367.8007  0.0042 -4.8779 3  156.6108376  5951614042317 6 0    2316 7 0      C-13-H3C(O)CH3
   87410.6623  0.0027 -5.2334 3    5.7166 88 -595161404 5 4 2 1     4 3 1 1      C-13-H3C(O)CH3
   87413.4343  0.0059 -5.2823 3  121.8383164  5951614042016 5 3    2015 6 3      C-13-H3C(O)CH3
   87414.3142  0.0021 -5.5128 3    5.7871 44 -595161404 5 4 2 3     4 3 1 3      C-13-H3C(O)CH3
   87420.7742  0.0060 -5.2618 3   83.7645264  5951614041615 1 0    1614 2 0      C-13-H3C(O)CH3
   87422.3511  0.0060 -5.2617 3   83.7644264  5951614041615 2 0    1614 3 0      C-13-H3C(O)CH3
   87443.3348  0.0064 -5.2524 3  121.9057164  5951614042016 4 4    2015 5 4      C-13-H3C(O)CH3
   87455.5225  0.0031 -5.2288 3    5.7158 88 -595161404 5 4 2 2     4 3 1 2      C-13-H3C(O)CH3
   87501.6294  0.0054 -4.9335 3  156.6139376 -5951614042317 6 1    2316 7 1      C-13-H3C(O)CH3
   87505.9482  0.0174 -7.8594 3  349.5675284  595161404352313 3    352213 3      C-13-H3C(O)CH3
   87514.9428  0.0044 -4.9509 3  121.8119328 -5951614042016 5 1    2015 6 1      C-13-H3C(O)CH3
   87520.1697  0.0153 -7.9055 3  349.5670284  595161404352313 4    352213 4      C-13-H3C(O)CH3
   87549.9392  0.0070 -5.2042 3  156.6238188  5951614042317 6 4    2316 7 4      C-13-H3C(O)CH3
   87568.4334  0.0220 -6.0124 3  183.3544204  5951614042518 8 4    2517 8 4      C-13-H3C(O)CH3
   87569.1007  0.0047 -4.9509 3  121.8783328 -5951614042016 4 1    2015 5 1      C-13-H3C(O)CH3
   87569.9137  0.0044 -4.9510 3  121.8233328 -5951614042016 5 2    2015 6 2      C-13-H3C(O)CH3
   87576.6824  0.0150 -5.1254 3  475.4505664  595161404412615 0    412516 0      C-13-H3C(O)CH3
   87578.2829  0.0059 -5.1432 3  209.1635220  595161404271810 4    271711 4      C-13-H3C(O)CH3
   87608.1338  0.0059 -4.9536 3  156.6118376  5951614042317 6 2    2316 7 2      C-13-H3C(O)CH3
   87638.3203  0.0167 -5.8673 3  168.2256196  5951614042417 7 4    2416 9 4      C-13-H3C(O)CH3
   87643.7077  0.0227 -6.4180 3  121.8383164  5951614042016 4 3    2015 6 3      C-13-H3C(O)CH3
   87655.4685  0.0022 -5.2078 3    5.6440 88 -595161404 5 4 2 0     4 3 1 0      C-13-H3C(O)CH3
   87677.6613  0.0132 -7.5628 3  349.5843568  595161404352313 2    352213 2      C-13-H3C(O)CH3
   87684.5421  0.0037 -4.8365 3  209.1773440 -595161404271810 1    271711 1      C-13-H3C(O)CH3
   87684.5828  0.0021 -5.2828 3   55.4134124  59516140415 510 3    15 411 3      C-13-H3C(O)CH3
   87684.7786  0.0027 -5.2828 3   55.4134124  59516140415 510 4    15 411 4      C-13-H3C(O)CH3
   87688.6143  0.0021 -5.2827 3   55.4134124  59516140415 610 3    15 511 3      C-13-H3C(O)CH3
   87688.7615  0.0027 -5.2827 3   55.4134124  59516140415 610 4    15 511 4      C-13-H3C(O)CH3
   87688.9299  0.0036 -5.1347 3  209.1642220  595161404271810 3    271711 3      C-13-H3C(O)CH3
   87696.2712  0.0263 -5.3293 3  620.6962760  595161404472918 0    472819 0      C-13-H3C(O)CH3
   87699.3013  0.0145 -5.1245 3  475.4300664  595161404412615 1    412516 1      C-13-H3C(O)CH3
   87711.6854  0.0044 -4.9504 3  121.8791328 -5951614042016 4 2    2015 5 2      C-13-H3C(O)CH3
   87749.3774  0.0046 -4.9485 3  121.8549328  5951614042016 4 0    2015 5 0      C-13-H3C(O)CH3
   87790.1249  0.0059 -5.2008 3  156.5150188  5951614042317 7 4    2316 8 4      C-13-H3C(O)CH3
   87800.5865  0.0023 -4.9800 3   55.3656248  59516140415 510 2    15 411 2      C-13-H3C(O)CH3
   87804.7855  0.0023 -4.9799 3   55.3656248  59516140415 610 2    15 511 2      C-13-H3C(O)CH3
   87808.9260  0.0023 -4.9801 3   55.3664248  59516140415 510 1    15 411 1      C-13-H3C(O)CH3
   87812.9977  0.0023 -4.9801 3   55.3665248  59516140415 610 1    15 511 1      C-13-H3C(O)CH3
   87829.6807  0.0263 -7.6433 3  145.4576180  5951614042217 6 4    2216 6 4      C-13-H3C(O)CH3
   87847.7873  0.0032 -4.8328 3  209.1745440 -595161404271810 2    271711 2      C-13-H3C(O)CH3
   87854.5716  0.0244 -6.9537 3  131.9354172  5951614042116 5 4    2115 7 4      C-13-H3C(O)CH3
   87883.2867  0.0051 -6.2142 3   12.4269 60  595161404 7 4 3 4     6 5 2 4      C-13-H3C(O)CH3
   87894.0818  0.0069 -6.8789 3   21.9933 76  595161404 9 6 4 4     8 7 1 4      C-13-H3C(O)CH3
   87897.3047  0.0030 -4.8312 3  209.1879440 -595161404271810 0    271711 0      C-13-H3C(O)CH3
   87907.7442  0.0220 -5.3277 3  620.6730760  595161404472918 1    472819 1      C-13-H3C(O)CH3
   87924.6387  0.0023 -4.9784 3   55.3188248  59516140415 510 0    15 411 0      C-13-H3C(O)CH3
   87928.9009  0.0022 -4.9783 3   55.3188248  59516140415 610 0    15 511 0      C-13-H3C(O)CH3
   87939.7860  0.0045 -4.9467 3  121.8481328 -5951614042016 5 0    2015 6 0      C-13-H3C(O)CH3
   88004.4596  0.0250 -5.1226 3  475.4154664  595161404412615 2    412516 2      C-13-H3C(O)CH3
   88032.8310  0.0349 -5.3268 3  620.6604760  595161404472918 2    472819 2      C-13-H3C(O)CH3
   88051.4783  0.0074 -5.8336 3   76.1366124  5951614041515 1 4    1514 2 4      C-13-H3C(O)CH3
   88064.4368  0.0073 -5.8339 3   76.2195124  5951614041515 1 3    1514 1 3      C-13-H3C(O)CH3
   88099.7391  0.0249 -5.4225 3  475.3948332  595161404412615 3    412516 3      C-13-H3C(O)CH3
   88146.5564  0.0264 -5.4231 3  475.3950332  595161404412615 4    412516 4      C-13-H3C(O)CH3
   88146.8346  0.0048 -4.9270 3  156.5361376 -5951614042317 7 1    2316 8 1      C-13-H3C(O)CH3
   88171.8170  0.0075 -5.8332 3   76.2164124  5951614041515 0 3    1514 2 3      C-13-H3C(O)CH3
   88185.7512  0.0078 -5.8335 3   76.2995124  5951614041515 0 4    1514 1 4      C-13-H3C(O)CH3
   88232.0231  0.0286 -5.6262 3  620.6370380  595161404472918 3    472819 3      C-13-H3C(O)CH3
   88262.0387  0.0029 -6.8496 3   51.2232232  59516140414 6 8 0    13 9 5 0      C-13-H3C(O)CH3
   88262.1102  0.0332 -5.6262 3  620.6375380  595161404472918 4    472819 4      C-13-H3C(O)CH3
   88274.5882  0.0023 -5.3484 3   46.3699116  59516140414 410 3    14 311 3      C-13-H3C(O)CH3
   88274.7244  0.0029 -5.3484 3   46.3700116  59516140414 410 4    14 311 4      C-13-H3C(O)CH3
   88275.4405  0.0023 -5.3484 3   46.3699116  59516140414 510 3    14 411 3      C-13-H3C(O)CH3
   88275.5653  0.0028 -5.3484 3   46.3700116  59516140414 510 4    14 411 4      C-13-H3C(O)CH3
   88315.5797  0.0055 -4.9464 3  156.5434376 -5951614042317 7 2    2316 8 2      C-13-H3C(O)CH3
   88331.2214  0.0076 -6.8198 3   29.4080168  59516140410 8 3 1    10 5 5 1      C-13-H3C(O)CH3
   88348.4751  0.0081 -8.0045 3  142.7954188  595161404231212 4    2215 7 4      C-13-H3C(O)CH3
   88358.7595  0.0094 -5.2522 3  156.5399188  5951614042317 7 3    2316 8 3      C-13-H3C(O)CH3
   88371.4436  0.0069 -5.5305 3   76.1849248  5951614041515 1 2    1514 2 2      C-13-H3C(O)CH3
   88380.6967  0.0070 -5.5304 3   76.1729248  5951614041515 1 1    1514 2 1      C-13-H3C(O)CH3
   88395.7667  0.0065 -5.5307 3   76.2558248  5951614041515 0 1    1514 1 1      C-13-H3C(O)CH3
   88405.1269  0.0026 -5.0455 3   46.3157232  59516140414 410 2    14 311 2      C-13-H3C(O)CH3
   88406.0163  0.0026 -5.0455 3   46.3157232  59516140414 510 2    14 411 2      C-13-H3C(O)CH3
   88410.9150  0.0026 -5.0457 3   46.3164232  59516140414 410 1    14 311 1      C-13-H3C(O)CH3
   88411.7761  0.0026 -5.0457 3   46.3164232  59516140414 510 1    14 411 1      C-13-H3C(O)CH3
   88430.3676  0.0010 -5.3236 3   10.4651 60  595161404 7 2 5 3     6 3 4 3      C-13-H3C(O)CH3
   88434.7986  0.0126 -5.5828 3  183.3567408 -5951614042518 8 1    2517 8 1      C-13-H3C(O)CH3
   88436.5705  0.0011 -5.3236 3   10.4649 60 -595161404 7 2 5 4     6 3 4 4      C-13-H3C(O)CH3
   88463.2764  0.0012 -5.0227 3   10.3955120 -595161404 7 2 5 2     6 3 4 2      C-13-H3C(O)CH3
   88467.2535  0.0012 -5.0224 3   10.3961120  595161404 7 2 5 1     6 3 4 1      C-13-H3C(O)CH3
   88467.5352  0.0036 -6.8551 3   51.2586232  59516140414 6 8 2    13 9 5 2      C-13-H3C(O)CH3
   88493.9529  0.0061 -5.5301 3   76.2648248  5951614041515 0 2    1514 1 2      C-13-H3C(O)CH3
   88497.0366  0.0012 -5.0226 3   10.3267120 -595161404 7 2 5 0     6 3 4 0      C-13-H3C(O)CH3
   88513.7803  0.0024 -5.0951 3  145.7423188  595161404231311 4    231212 4      C-13-H3C(O)CH3
   88516.7109  0.0019 -5.0951 3  145.7423188  595161404231311 3    231212 3      C-13-H3C(O)CH3
   88517.6802  0.0035 -5.1250 3  222.8455228  595161404281811 4    281712 4      C-13-H3C(O)CH3
   88520.6594  0.0070 -4.8992 3  304.4812536 -595161404331914 2    331815 2      C-13-H3C(O)CH3
   88537.0021  0.0031 -4.8235 3  222.8614456 -595161404281811 1    281712 1      C-13-H3C(O)CH3
   88537.5134  0.0019 -4.7934 3  145.7361376 -595161404231311 2    231212 2      C-13-H3C(O)CH3
   88539.4960  0.0030 -5.1244 3  222.8457228  595161404281811 3    281712 3      C-13-H3C(O)CH3
   88541.1617  0.0025 -5.0437 3   46.2623232  59516140414 410 0    14 311 0      C-13-H3C(O)CH3
   88542.0653  0.0025 -5.0437 3   46.2623232  59516140414 510 0    14 411 0      C-13-H3C(O)CH3
   88547.5344  0.0030 -7.1527 3   51.3002116  59516140414 6 8 3    13 9 5 3      C-13-H3C(O)CH3
   88557.7637  0.0019 -4.7935 3  145.7396376 -595161404231311 1    231212 1      C-13-H3C(O)CH3
   88562.0255  0.0034 -6.8570 3   51.2573232  59516140414 6 8 1    13 9 5 1      C-13-H3C(O)CH3
   88564.4264  0.0060 -7.6549 3  142.7819376  595161404231212 2    2215 7 2      C-13-H3C(O)CH3
   88568.6117  0.0091 -6.8425 3   29.4054168  59516140410 8 3 2    10 5 5 2      C-13-H3C(O)CH3
   88579.7839  0.0019 -4.7928 3  145.7334376 -595161404231311 0    231212 0      C-13-H3C(O)CH3
   88583.1752  0.0056 -4.8988 3  304.5087536 -595161404331914 0    331815 0      C-13-H3C(O)CH3
   88585.9915  0.0062 -7.6656 3  142.7847376  595161404231212 1    2215 7 1      C-13-H3C(O)CH3
   88591.6819  0.0052 -7.6383 3  142.7783376  595161404231212 0    2215 7 0      C-13-H3C(O)CH3
   88639.6299  0.0029 -4.8225 3  222.8568456 -595161404281811 2    281712 2      C-13-H3C(O)CH3
   88641.7535  0.0089 -5.1994 3  304.4628268  595161404331914 3    331815 3      C-13-H3C(O)CH3
   88645.9739  0.0030 -4.8223 3  222.8725456 -595161404281811 0    281712 0      C-13-H3C(O)CH3
   88646.0582  0.0084 -5.1993 3  304.4630268  595161404331914 4    331815 4      C-13-H3C(O)CH3
   88652.6337  0.0153 -7.8998 3   81.1579280  5951614041710 7 2    1613 3 2      C-13-H3C(O)CH3
   88703.0723  0.0067 -5.5283 3   76.2212248  5951614041515 0 0    1514 1 0      C-13-H3C(O)CH3
   88703.1931  0.0067 -5.5283 3   76.2212248  5951614041515 1 0    1514 2 0      C-13-H3C(O)CH3
   88703.9497  0.0070 -4.8980 3  304.4903536 -595161404331914 1    331815 1      C-13-H3C(O)CH3
   88711.3192  0.0101 -5.2061 3  195.9437212  5951614042618 9 4    261710 4      C-13-H3C(O)CH3
   88722.3073  0.0062 -6.4892 3   21.9117152  595161404 9 6 4 1     8 7 1 1      C-13-H3C(O)CH3
   88734.6045  0.0064 -6.4779 3   21.9112152  595161404 9 6 4 2     8 7 1 2      C-13-H3C(O)CH3
   88744.5943  0.0024 -5.4428 3   37.9183108  59516140413 310 3    13 211 3      C-13-H3C(O)CH3
   88744.7077  0.0030 -5.4428 3   37.9183108  59516140413 310 4    13 211 4      C-13-H3C(O)CH3
   88744.7429  0.0024 -5.4428 3   37.9183108  59516140413 410 3    13 311 3      C-13-H3C(O)CH3
   88744.8541  0.0030 -5.4428 3   37.9183108  59516140413 410 4    13 311 4      C-13-H3C(O)CH3
   88750.3463  0.0142 -5.9234 3  156.5399188  5951614042317 6 3    2316 8 3      C-13-H3C(O)CH3
   88817.7347  0.0057 -7.9485 3  142.7797188  595161404231212 3    2215 7 3      C-13-H3C(O)CH3
   88864.4594  0.0037 -4.8639 3  156.5552376 -5951614042317 7 0    2316 8 0      C-13-H3C(O)CH3
   88886.6916  0.0123 -5.5317 3  183.3547408  5951614042518 8 2    2517 8 2      C-13-H3C(O)CH3
   88888.4610  0.0029 -5.1397 3   37.8576216  59516140413 310 2    13 211 2      C-13-H3C(O)CH3
   88888.6164  0.0029 -5.1397 3   37.8576216  59516140413 410 2    13 311 2      C-13-H3C(O)CH3
   88892.1776  0.0029 -5.1399 3   37.8582216  59516140413 310 1    13 211 1      C-13-H3C(O)CH3
   88892.3279  0.0029 -5.1399 3   37.8582216  59516140413 410 1    13 311 1      C-13-H3C(O)CH3
   88895.8019  0.0130 -6.0854 3  183.3426204  5951614042518 8 3    2517 8 3      C-13-H3C(O)CH3
   88963.5842  0.0038 -7.1706 3   51.2864116  59516140414 6 8 4    13 9 5 4      C-13-H3C(O)CH3
   88988.0560  0.0161 -7.8908 3   81.1549280  5951614041710 7 1    1613 3 1      C-13-H3C(O)CH3
   89018.0919  0.0125 -5.0592 3  431.3354632  595161404392514 0    392415 0      C-13-H3C(O)CH3
   89020.3689  0.0022 -5.0991 3  132.0223180 -595161404221111 3    221012 3      C-13-H3C(O)CH3
   89021.4893  0.0022 -4.7975 3  132.0115360 -595161404221111 2    221012 2      C-13-H3C(O)CH3
   89024.0015  0.0031 -5.0990 3  132.0224180 -595161404221111 4    221012 4      C-13-H3C(O)CH3
   89035.7381  0.0029 -5.1379 3   37.7976216  59516140413 310 0    13 211 0      C-13-H3C(O)CH3
   89035.8961  0.0029 -5.1379 3   37.7976216  59516140413 410 0    13 311 0      C-13-H3C(O)CH3
   89040.2455  0.0058 -4.8756 3  195.9571424 -5951614042618 9 1    261710 1      C-13-H3C(O)CH3
   89060.3331  0.0130 -5.0589 3  431.3162632  595161404392514 1    392415 1      C-13-H3C(O)CH3
   89068.9000  0.0021 -4.7968 3  132.0038360 -595161404221111 0    221012 0      C-13-H3C(O)CH3
   89069.2606  0.0021 -4.7973 3  132.0146360 -595161404221111 1    221012 1      C-13-H3C(O)CH3
   89115.5307  0.0027 -5.5886 3   30.0608100  59516140412 210 3    12 111 3      C-13-H3C(O)CH3
   89115.5508  0.0027 -5.5886 3   30.0608100  59516140412 310 3    12 211 3      C-13-H3C(O)CH3
   89115.6422  0.0032 -5.5886 3   30.0608100  59516140412 210 4    12 111 4      C-13-H3C(O)CH3
   89115.6620  0.0032 -5.5886 3   30.0608100  59516140412 310 4    12 211 4      C-13-H3C(O)CH3
   89142.1785  0.0052 -5.1417 3  195.9466212  5951614042618 9 3    261710 3      C-13-H3C(O)CH3
   89153.6106  0.0064 -7.2645 3   64.9730132  59516140416 710 4    15 8 7 4      C-13-H3C(O)CH3
   89171.8186  0.0030 -7.6250 3   20.5962152  595161404 9 5 5 2     8 6 3 2      C-13-H3C(O)CH3
   89182.2321  0.0051 -6.9606 3   64.9353264  59516140416 710 1    15 8 7 1      C-13-H3C(O)CH3
   89183.0300  0.0051 -7.2644 3   64.9720132  59516140416 710 3    15 8 7 3      C-13-H3C(O)CH3
   89204.8251  0.0139 -7.5872 3   81.1105280  5951614041710 7 0    1613 4 0      C-13-H3C(O)CH3
   89207.2405  0.0089 -4.9596 3  362.6677584 -595161404362115 2    362016 2      C-13-H3C(O)CH3
   89242.2844  0.0027 -7.5432 3   20.5946152  595161404 9 5 5 1     8 6 3 1      C-13-H3C(O)CH3
   89253.9308  0.0043 -7.0411 3   91.3117312  59516140419 812 1    18 9 9 1      C-13-H3C(O)CH3
   89271.6060  0.0033 -5.2854 3   29.9937200  59516140412 210 2    12 111 2      C-13-H3C(O)CH3
   89271.6270  0.0033 -5.2854 3   29.9937200  59516140412 310 2    12 211 2      C-13-H3C(O)CH3
   89273.6231  0.0033 -5.2856 3   29.9942200  59516140412 210 1    12 111 1      C-13-H3C(O)CH3
   89273.6434  0.0033 -5.2856 3   29.9942200  59516140412 310 1    12 211 1      C-13-H3C(O)CH3
   89285.4550  0.0010 -5.3119 3   10.4417 60 -595161404 7 3 5 4     6 2 4 4      C-13-H3C(O)CH3
   89286.6912  0.0040 -7.0357 3   91.2840312  59516140419 812 0    18 9 9 0      C-13-H3C(O)CH3
   89290.9008  0.0103 -5.2600 3  362.6466292  595161404362115 3    362016 3      C-13-H3C(O)CH3
   89291.6424  0.0011 -5.3118 3   10.4415 60 -595161404 7 3 5 3     6 2 4 3      C-13-H3C(O)CH3
   89292.3321  0.0103 -5.2600 3  362.6467292  595161404362115 4    362016 4      C-13-H3C(O)CH3
   89293.3230  0.0056 -7.3440 3   91.3354156  59516140419 812 4    18 9 9 4      C-13-H3C(O)CH3
   89293.5172  0.0052 -4.8549 3  195.9573424 -5951614042618 9 2    261710 2      C-13-H3C(O)CH3
   89294.4489  0.0053 -6.9563 3   64.9301264  59516140416 710 2    15 8 7 2      C-13-H3C(O)CH3
   89302.6294  0.0043 -7.3439 3   91.3351156  59516140419 812 3    18 9 9 3      C-13-H3C(O)CH3
   89307.2996  0.0047 -6.9535 3   64.8931264  59516140416 710 0    15 8 7 0      C-13-H3C(O)CH3
   89309.0384  0.0066 -4.9592 3  362.6991584 -595161404362115 0    362016 0      C-13-H3C(O)CH3
   89331.2223  0.0043 -7.0375 3   91.3075312  59516140419 812 2    18 9 9 2      C-13-H3C(O)CH3
   89335.0447  0.0013 -5.0105 3   10.3724120 -595161404 7 3 5 1     6 2 4 1      C-13-H3C(O)CH3
   89341.2422  0.0013 -5.0107 3   10.3716120 -595161404 7 3 5 2     6 2 4 2      C-13-H3C(O)CH3
   89385.9703  0.0180 -7.4048 3  121.8233328  5951614042016 4 2    2015 6 2      C-13-H3C(O)CH3
   89387.6322  0.0013 -5.0104 3   10.3025120 -595161404 7 3 5 0     6 2 4 0      C-13-H3C(O)CH3
   89389.0400  0.0039 -6.1871 3   21.8336152  595161404 9 6 4 0     8 7 1 0      C-13-H3C(O)CH3
   89391.2273  0.0077 -4.9585 3  362.6780584  595161404362115 1    362016 1      C-13-H3C(O)CH3
   89398.9191  0.0201 -5.0571 3  431.3024632  595161404392514 2    392415 2      C-13-H3C(O)CH3
   89404.2836  0.0029 -5.8591 3   22.7998 92  59516140411 110 3    11 011 3      C-13-H3C(O)CH3
   89404.2855  0.0029 -5.8591 3   22.7998 92  59516140411 210 3    11 111 3      C-13-H3C(O)CH3
   89404.4078  0.0034 -5.8590 3   22.7998 92  59516140411 110 4    11 011 4      C-13-H3C(O)CH3
   89404.4096  0.0034 -5.8590 3   22.7998 92  59516140411 210 4    11 111 4      C-13-H3C(O)CH3
   89414.3269  0.0212 -5.3574 3  431.2832316  595161404392514 3    392415 3      C-13-H3C(O)CH3
   89420.7840  0.0092 -5.2091 3  183.3426204 -5951614042518 7 3    2517 8 3      C-13-H3C(O)CH3
   89429.3713  0.0033 -5.2834 3   29.9272200  59516140412 210 0    12 111 0      C-13-H3C(O)CH3
   89429.3927  0.0033 -5.2834 3   29.9272200  59516140412 310 0    12 211 0      C-13-H3C(O)CH3
   89445.0732  0.0056 -6.6559 3   29.4645 84  59516140410 8 2 3    10 5 5 3      C-13-H3C(O)CH3
   89455.7299  0.0270 -7.6459 3  112.2570156  5951614041916 4 3    1915 4 3      C-13-H3C(O)CH3
   89458.3300  0.0221 -5.3583 3  431.2832316  595161404392514 4    392415 4      C-13-H3C(O)CH3
   89463.3496  0.0032 -4.8304 3  195.9692424 -5951614042618 9 0    261710 0      C-13-H3C(O)CH3
   89479.8907  0.0178 -6.8421 3  145.4401360  5951614042217 6 1    2216 6 1      C-13-H3C(O)CH3
   89496.4877  0.0114 -5.0368 3  425.8416632  595161404392316 2    392217 2      C-13-H3C(O)CH3
   89531.0577  0.0127 -5.3374 3  425.8193316  595161404392316 3    392217 3      C-13-H3C(O)CH3
   89531.0639  0.0125 -5.3374 3  425.8195316  595161404392316 4    392217 4      C-13-H3C(O)CH3
   89559.8817  0.0183 -7.5429 3  121.8119328  5951614042016 4 1    2015 6 1      C-13-H3C(O)CH3
   89571.4884  0.0037 -5.5557 3   22.7263184  59516140411 110 2    11 011 2      C-13-H3C(O)CH3
   89571.4904  0.0037 -5.5557 3   22.7263184  59516140411 210 2    11 111 2      C-13-H3C(O)CH3
   89572.1130  0.0037 -5.5560 3   22.7268184  59516140411 110 1    11 011 1      C-13-H3C(O)CH3
   89572.1149  0.0037 -5.5560 3   22.7268184  59516140411 210 1    11 111 1      C-13-H3C(O)CH3
   89578.2517  0.0059 -5.3050 3  112.1862156  5951614041916 4 4    1915 5 4      C-13-H3C(O)CH3
   89610.9672  0.0056 -5.3072 3  112.2570156  5951614041916 3 3    1915 4 3      C-13-H3C(O)CH3
   89614.0086  0.0030 -7.3998 3   20.6416 76  595161404 9 5 5 4     8 6 3 4      C-13-H3C(O)CH3
   89628.5391  0.0073 -5.0362 3  425.8750632  595161404392316 0    392217 0      C-13-H3C(O)CH3
   89632.4014  0.0050 -6.5251 3   21.9393 76  595161404 9 6 4 3     8 7 1 3      C-13-H3C(O)CH3
   89656.9587  0.0145 -5.6416 3  156.5434376  5951614042317 6 2    2316 8 2      C-13-H3C(O)CH3
   89661.1560  0.0080 -5.0358 3  425.8529632  595161404392316 1    392217 1      C-13-H3C(O)CH3
   89715.0495  0.0057 -5.3065 3  112.2484156  5951614041916 4 3    1915 5 3      C-13-H3C(O)CH3
   89720.4897  0.0019 -6.6348 3    2.4031 36  595161404 4 2 2 3     3 1 3 3      C-13-H3C(O)CH3
   89733.9701  0.0163 -5.4283 3  493.9654340  595161404422517 3    422418 3      C-13-H3C(O)CH3
   89735.1564  0.0147 -5.4283 3  493.9656340  595161404422517 4    422418 4      C-13-H3C(O)CH3
   89738.9363  0.0038 -5.5536 3   22.6535184 -59516140411 210 0    11 111 0      C-13-H3C(O)CH3
   89738.9363  0.0038 -5.5536 3   22.6535184 -59516140411 110 0    11 011 0      C-13-H3C(O)CH3
   89741.2055  0.0139 -5.1275 3  493.9878680  595161404422517 2    422418 2      C-13-H3C(O)CH3
   89745.1288  0.0022 -6.6353 3    2.4031 36  595161404 4 2 2 4     3 1 3 4      C-13-H3C(O)CH3
   89750.3198  0.0067 -5.3046 3  112.3193156  5951614041916 3 4    1915 4 4      C-13-H3C(O)CH3
   89778.8688  0.0092 -7.6872 3  132.0248360  595161404221211 2    2115 6 2      C-13-H3C(O)CH3
   89783.1287  0.0043 -4.8506 3  183.3623408  5951614042518 7 0    2517 8 0      C-13-H3C(O)CH3
   89792.3853  0.0023 -6.3316 3    2.3276 72  595161404 4 2 2 2     3 1 3 2      C-13-H3C(O)CH3
   89798.9142  0.0011 -5.1182 3   11.8753 68 -595161404 8 1 7 4     7 2 6 4      C-13-H3C(O)CH3
   89798.9142  0.0012 -5.1182 3   11.8753 68 -595161404 8 1 7 3     7 2 6 3      C-13-H3C(O)CH3
   89803.7556  0.0098 -7.7252 3  311.9972536  595161404332212 1    332112 1      C-13-H3C(O)CH3
   89804.0323  0.0012 -5.1182 3   11.8752 68 -595161404 8 2 7 3     7 1 6 3      C-13-H3C(O)CH3
   89804.0323  0.0011 -5.1182 3   11.8752 68 -595161404 8 2 7 4     7 1 6 4      C-13-H3C(O)CH3
   89806.1414  0.0194 -5.8735 3  212.2501220  5951614042719 9 4    2718 9 4      C-13-H3C(O)CH3
   89809.4724  0.0022 -6.3321 3    2.3281 72  595161404 4 2 2 1     3 1 3 1      C-13-H3C(O)CH3
   89822.4764  0.0013 -4.8170 3   11.8043136 -595161404 8 1 7 2     7 2 6 2      C-13-H3C(O)CH3
   89822.4764  0.0014 -4.8169 3   11.8049136 -595161404 8 1 7 1     7 2 6 1      C-13-H3C(O)CH3
   89827.6028  0.0014 -4.8169 3   11.8047136 -595161404 8 2 7 1     7 1 6 1      C-13-H3C(O)CH3
   89827.8443  0.0013 -4.8170 3   11.8042136 -595161404 8 2 7 2     7 1 6 2      C-13-H3C(O)CH3
   89834.4335  0.0146 -5.7636 3  156.5361376  5951614042317 6 1    2316 8 1      C-13-H3C(O)CH3
   89836.4159  0.0094 -7.7126 3  132.0266360  595161404221211 1    2115 6 1      C-13-H3C(O)CH3
   89845.9667  0.0013 -4.8167 3   11.7340136 -595161404 8 1 7 0     7 2 6 0      C-13-H3C(O)CH3
   89851.3990  0.0013 -4.8167 3   11.7338136 -595161404 8 2 7 0     7 1 6 0      C-13-H3C(O)CH3
   89867.7707  0.0089 -5.1269 3  493.9996680  595161404422517 1    422418 1      C-13-H3C(O)CH3
   89869.2079  0.0021 -6.3297 3    2.2528 72  595161404 4 2 2 0     3 1 3 0      C-13-H3C(O)CH3
   89870.1882  0.0051 -5.0021 3  112.2183312  5951614041916 4 1    1915 5 1      C-13-H3C(O)CH3
   89870.2868  0.0267 -7.6417 3  112.2484156  5951614041916 3 3    1915 5 3      C-13-H3C(O)CH3
   89876.7380  0.0082 -5.1270 3  494.0219680  595161404422517 0    422418 0      C-13-H3C(O)CH3
   89891.8941  0.0139 -7.4460 3  311.9733268  595161404332212 3    332112 3      C-13-H3C(O)CH3
   89892.7327  0.0067 -4.9410 3  183.3567408  5951614042518 7 1    2517 8 1      C-13-H3C(O)CH3
   89899.3431  0.0049 -5.0019 3  112.2306312  5951614041916 4 2    1915 5 2      C-13-H3C(O)CH3
   89905.5779  0.0181 -6.6558 3  145.4397360  5951614042217 6 2    2216 6 2      C-13-H3C(O)CH3
   89907.3139  0.0052 -5.0022 3  112.2890312  5951614041916 3 1    1915 4 1      C-13-H3C(O)CH3
   89945.5267  0.0055 -7.5462 3   21.9289 76  595161404 9 6 4 3     8 7 2 3      C-13-H3C(O)CH3
   89960.1102  0.0078 -4.9526 3  183.3547408  5951614042518 7 2    2517 8 2      C-13-H3C(O)CH3
   89996.3702  0.0058 -7.5678 3  132.0117360  595161404221211 0    2115 6 0      C-13-H3C(O)CH3
   90031.9678  0.0025 -5.0899 3  132.0260180  595161404221211 4    221112 4      C-13-H3C(O)CH3
   90033.2775  0.0019 -5.0899 3  132.0260180  595161404221211 3    221112 3      C-13-H3C(O)CH3
   90037.5964  0.0048 -5.0014 3  112.2928312  5951614041916 3 2    1915 4 2      C-13-H3C(O)CH3
   90041.5784  0.0084 -5.2166 3  183.3544204  5951614042518 7 4    2517 8 4      C-13-H3C(O)CH3
   90063.3174  0.0018 -4.7881 3  132.0153360 -595161404221211 2    221112 2      C-13-H3C(O)CH3
   90086.6108  0.0018 -4.7881 3  132.0183360 -595161404221211 1    221112 1      C-13-H3C(O)CH3
   90117.2292  0.0018 -4.7874 3  132.0076360 -595161404221211 0    221112 0      C-13-H3C(O)CH3
   90138.0694  0.0061 -6.3450 3   29.3486168  59516140410 8 2 0    10 5 5 0      C-13-H3C(O)CH3
   90148.8872  0.0098 -7.7370 3  311.9892536  595161404332212 2    332112 2      C-13-H3C(O)CH3
   90176.0719  0.0052 -5.0001 3  112.2631312  5951614041916 3 0    1915 4 0      C-13-H3C(O)CH3
   90192.9838  0.0290 -5.3937 3  673.3717792  595161404493019 0    492920 0      C-13-H3C(O)CH3
   90210.5632  0.0052 -4.9998 3  112.2619312  5951614041916 4 0    1915 5 0      C-13-H3C(O)CH3
   90298.5191  0.0108 -5.6225 3  212.2616440  5951614042719 9 1    2718 9 1      C-13-H3C(O)CH3
   90310.1384  0.0033 -4.7910 3  187.1258424 -595161404261412 2    261313 2      C-13-H3C(O)CH3
   90328.2771  0.0184 -5.5298 3  567.0698364  595161404452718 3    452619 3      C-13-H3C(O)CH3
   90330.6350  0.0029 -4.7907 3  187.1348424 -595161404261412 0    261313 0      C-13-H3C(O)CH3
   90333.7267  0.0156 -5.5298 3  567.0700364  595161404452718 4    452619 4      C-13-H3C(O)CH3
   90348.9496  0.0149 -5.2289 3  567.0920728  595161404452718 2    452619 2      C-13-H3C(O)CH3
   90353.5390  0.0045 -7.2665 3   34.6538 92  59516140411 8 4 4    11 5 6 4      C-13-H3C(O)CH3
   90363.1206  0.0244 -5.3923 3  673.3488792  595161404493019 1    492920 1      C-13-H3C(O)CH3
   90384.3703  0.0067 -6.5223 3   29.4080168  59516140410 8 2 1    10 5 5 1      C-13-H3C(O)CH3
   90386.1450  0.0042 -5.0918 3  187.1218212  595161404261412 3    261313 3      C-13-H3C(O)CH3
   90393.2967  0.0045 -5.0917 3  187.1219212  595161404261412 4    261313 4      C-13-H3C(O)CH3
   90395.2699  0.0065 -7.5254 3  317.5218584  595161404361224 0    351521 0      C-13-H3C(O)CH3
   90395.2875  0.0065 -7.5254 3  317.5218584  595161404361324 0    351421 0      C-13-H3C(O)CH3
   90408.8908  0.0034 -4.7904 3  187.1308424 -595161404261412 1    261313 1      C-13-H3C(O)CH3
   90409.0609  0.0076 -7.5282 3  317.4979584  595161404361224 1    351521 1      C-13-H3C(O)CH3
   90409.0788  0.0076 -7.5282 3  317.4979584  595161404361324 1    351421 1      C-13-H3C(O)CH3
   90425.4203  0.0118 -5.2286 3  567.1035728  595161404452718 1    452619 1      C-13-H3C(O)CH3
   90426.1402  0.0319 -5.3918 3  673.3382792  595161404493019 2    492920 2      C-13-H3C(O)CH3
   90431.9510  0.0076 -7.5255 3  317.4955584  595161404361224 2    351521 2      C-13-H3C(O)CH3
   90431.9700  0.0076 -7.5255 3  317.4955584  595161404361324 2    351421 2      C-13-H3C(O)CH3
   90433.8338  0.0068 -6.5129 3   29.4054168  59516140410 8 2 2    10 5 5 2      C-13-H3C(O)CH3
   90435.0956  0.0070 -6.4947 3   21.8545152  595161404 9 6 4 2     8 7 2 2      C-13-H3C(O)CH3
   90445.7377  0.0072 -7.8293 3  317.4716292  595161404361224 3    351521 3      C-13-H3C(O)CH3
   90445.7570  0.0072 -7.8293 3  317.4716292  595161404361324 3    351421 3      C-13-H3C(O)CH3
   90445.8814  0.0074 -7.8293 3  317.4716292  595161404361224 4    351521 4      C-13-H3C(O)CH3
   90445.9006  0.0074 -7.8293 3  317.4716292  595161404361324 4    351421 4      C-13-H3C(O)CH3
   90446.9672  0.0102 -5.2288 3  567.1256728  595161404452718 0    452619 0      C-13-H3C(O)CH3
   90447.1489  0.0104 -7.6508 3   53.1399116  59516140414 7 7 4    1310 3 4      C-13-H3C(O)CH3
   90475.3878  0.0049 -7.3005 3  208.5013472  595161404291019 0    281316 0      C-13-H3C(O)CH3
   90478.8062  0.0049 -7.3004 3  208.5012472  595161404291119 0    281216 0      C-13-H3C(O)CH3
   90487.2016  0.0058 -7.0836 3   42.8616108  59516140413 6 8 4    12 7 5 4      C-13-H3C(O)CH3
   90517.4666  0.0113 -6.3393 3  212.2462220  5951614042719 9 3    2718 9 3      C-13-H3C(O)CH3
   90519.6375  0.0056 -7.3039 3  208.4917472  595161404291019 1    281316 1      C-13-H3C(O)CH3
   90522.0119  0.0070 -7.8845 3  132.0097180  595161404221211 3    2115 6 3      C-13-H3C(O)CH3
   90522.9768  0.0056 -7.3039 3  208.4916472  595161404291119 1    281216 1      C-13-H3C(O)CH3
   90534.1536  0.0043 -7.0832 3   42.8600108  59516140413 6 8 3    12 7 5 3      C-13-H3C(O)CH3
   90553.5875  0.0056 -7.3009 3  208.4888472  595161404291019 2    281316 2      C-13-H3C(O)CH3
   90557.0761  0.0056 -7.3008 3  208.4887472  595161404291119 2    281216 2      C-13-H3C(O)CH3
   90559.8042  0.0115 -4.9980 3  389.3688600  595161404372413 1    372314 1      C-13-H3C(O)CH3
   90573.5563  0.0046 -6.7777 3   42.8110216  59516140413 6 8 1    12 7 5 1      C-13-H3C(O)CH3
   90589.5007  0.0226 -5.6914 3  673.3152396  595161404493019 3    492920 3      C-13-H3C(O)CH3
   90592.8380  0.0057 -6.4816 3   21.8493152  595161404 9 6 4 1     8 7 2 1      C-13-H3C(O)CH3
   90595.2490  0.0056 -6.8673 3  195.9466212  5951614042618 8 3    261710 3      C-13-H3C(O)CH3
   90597.8704  0.0058 -7.6053 3  208.4793236  595161404291019 4    281316 4      C-13-H3C(O)CH3
   90597.8991  0.0053 -7.6053 3  208.4793236  595161404291019 3    281316 3      C-13-H3C(O)CH3
   90601.2654  0.0058 -7.6053 3  208.4792236  595161404291119 4    281216 4      C-13-H3C(O)CH3
   90601.3111  0.0053 -7.6053 3  208.4791236  595161404291119 3    281216 3      C-13-H3C(O)CH3
   90604.2392  0.0106 -4.9977 3  389.3868600  595161404372413 0    372314 0      C-13-H3C(O)CH3
   90613.9294  0.0286 -5.6914 3  673.3157396  595161404493019 4    492920 4      C-13-H3C(O)CH3
   90651.4182  0.0100 -7.7832 3  448.9120696  595161404431429 1    421726 1      C-13-H3C(O)CH3
   90651.4182  0.0100 -7.7839 3  448.9120696  595161404431529 1    421626 1      C-13-H3C(O)CH3
   90664.5588  0.0100 -7.7810 3  448.9104696  595161404431429 2    421726 2      C-13-H3C(O)CH3
   90664.5589  0.0100 -7.7816 3  448.9104696  595161404431529 2    421626 2      C-13-H3C(O)CH3
   90677.3774  0.0045 -6.7727 3   42.8063216  59516140413 6 8 2    12 7 5 2      C-13-H3C(O)CH3
   90688.5449  0.0084 -7.7813 3  448.9390696  595161404431429 0    421726 0      C-13-H3C(O)CH3
   90688.5449  0.0084 -7.7831 3  448.9390696  595161404431529 0    421626 0      C-13-H3C(O)CH3
   90694.1677  0.0212 -6.0789 3  145.4136180  5951614042217 6 3    2216 6 3      C-13-H3C(O)CH3
   90718.5040  0.0152 -7.8621 3   81.0890280  5951614041710 7 2    1613 4 2      C-13-H3C(O)CH3
   90738.5746  0.0045 -6.7682 3   42.7566216  59516140413 6 8 0    12 7 5 0      C-13-H3C(O)CH3
   90738.9268  0.0100 -5.7438 3  212.2590440  5951614042719 9 2    2718 9 2      C-13-H3C(O)CH3
   90740.9629  0.0017 -6.4764 3    5.7166 88  595161404 5 4 1 1     4 3 1 1      C-13-H3C(O)CH3
   90741.8555  0.0017 -6.5574 3    5.7158 88  595161404 5 4 1 2     4 3 1 2      C-13-H3C(O)CH3
   90787.5620  0.0016 -6.2912 3    5.7902 44  595161404 5 4 1 4     4 3 1 4      C-13-H3C(O)CH3
   90813.9067  0.0235 -6.3643 3  156.5150188  5951614042317 6 4    2316 8 4      C-13-H3C(O)CH3
   90845.2520  0.0178 -5.2973 3  389.3387300  595161404372413 3    372314 3      C-13-H3C(O)CH3
   90856.2153  0.0061 -6.1031 3  195.9573424  5951614042618 8 2    261710 2      C-13-H3C(O)CH3
   90873.3286  0.0014 -4.9773 3   12.7434 76 -595161404 9 1 9 4     8 0 8 4      C-13-H3C(O)CH3
   90873.3286  0.0014 -4.9773 3   12.7434 76 -595161404 9 1 9 3     8 0 8 3      C-13-H3C(O)CH3
   90873.3286  0.0014 -4.9773 3   12.7434 76 -595161404 9 0 9 4     8 1 8 4      C-13-H3C(O)CH3
   90873.3286  0.0014 -4.9773 3   12.7434 76 -595161404 9 0 9 3     8 1 8 3      C-13-H3C(O)CH3
   90876.3019  0.0181 -5.2981 3  389.3384300  595161404372413 4    372314 4      C-13-H3C(O)CH3
   90880.7560  0.0017 -4.6761 3   12.6696152 -595161404 9 0 9 1     8 1 8 1      C-13-H3C(O)CH3
   90880.7560  0.0016 -4.6761 3   12.6691152 -595161404 9 1 9 2     8 0 8 2      C-13-H3C(O)CH3
   90880.7560  0.0017 -4.6761 3   12.6696152 -595161404 9 1 9 1     8 0 8 1      C-13-H3C(O)CH3
   90880.7560  0.0016 -4.6761 3   12.6691152 -595161404 9 0 9 2     8 1 8 2      C-13-H3C(O)CH3
   90888.1727  0.0015 -4.6759 3   12.5956152 -595161404 9 1 9 0     8 0 8 0      C-13-H3C(O)CH3
   90888.1727  0.0015 -4.6759 3   12.5956152 -595161404 9 0 9 0     8 1 8 0      C-13-H3C(O)CH3
   90896.6758  0.0071 -5.8547 3  195.9571424  5951614042618 8 1    261710 1      C-13-H3C(O)CH3
   90910.2285  0.0157 -4.9964 3  389.3566600  595161404372413 2    372314 2      C-13-H3C(O)CH3
   90916.1032  0.0074 -6.8808 3   29.4654 84  59516140410 8 2 4    10 5 5 4      C-13-H3C(O)CH3
   90945.4256  0.0058 -6.6643 3   29.2988168  59516140410 8 3 0     9 9 0 0      C-13-H3C(O)CH3
   90970.9779  0.0068 -5.2474 3  145.4136180  5951614042217 5 3    2216 6 3      C-13-H3C(O)CH3
   91032.0210  0.0055 -5.1879 3  145.3508180  5951614042217 6 4    2216 7 4      C-13-H3C(O)CH3
   91037.7818  0.0078 -7.4296 3   53.0751232  59516140414 7 7 2    1310 3 2      C-13-H3C(O)CH3
   91045.4035  0.0043 -7.3576 3   34.6001184  59516140411 8 4 1    11 5 6 1      C-13-H3C(O)CH3
   91067.1717  0.0167 -6.0877 3  243.3163236  595161404292010 4    291910 4      C-13-H3C(O)CH3
   91102.5766  0.0020 -5.0932 3  118.8788172  595161404211011 3    21 912 3      C-13-H3C(O)CH3
   91104.4694  0.0028 -5.0932 3  118.8788172  595161404211011 4    21 912 4      C-13-H3C(O)CH3
   91108.7024  0.0086 -6.6753 3  276.5775504  595161404312111 1    312011 1      C-13-H3C(O)CH3
   91112.5378  0.0080 -7.4097 3   53.0762232  59516140414 7 7 1    1310 3 1      C-13-H3C(O)CH3
   91134.4914  0.0020 -4.7914 3  118.8632344 -595161404211011 2    21 912 2      C-13-H3C(O)CH3
   91138.3916  0.0116 -7.0470 3  276.5567252  595161404312111 3    312011 3      C-13-H3C(O)CH3
   91140.4234  0.0131 -6.8955 3  276.5562252  595161404312111 4    312011 4      C-13-H3C(O)CH3
   91167.2237  0.0019 -4.7914 3  118.8656344 -595161404211011 1    21 912 1      C-13-H3C(O)CH3
   91176.7417  0.0051 -7.4440 3   34.5981184  59516140411 8 4 2    11 5 6 2      C-13-H3C(O)CH3
   91190.7353  0.0132 -5.9517 3  195.9437212  5951614042618 8 4    261710 4      C-13-H3C(O)CH3
   91197.0042  0.0065 -5.1875 3  145.4576180  5951614042217 5 4    2216 6 4      C-13-H3C(O)CH3
   91198.3036  0.0019 -4.7906 3  118.8501344 -595161404211011 0    21 912 0      C-13-H3C(O)CH3
   91228.5321  0.0077 -5.2050 3  183.2323204  5951614042518 8 4    2517 9 4      C-13-H3C(O)CH3
   91245.8192  0.0091 -5.9757 3  243.3336472  595161404292010 1    291910 1      C-13-H3C(O)CH3
   91252.2820  0.0038 -7.0840 3  121.9069360  59516140422 814 0    211111 0      C-13-H3C(O)CH3
   91253.6685  0.0069 -5.2450 3  145.3950180  5951614042217 6 3    2216 7 3      C-13-H3C(O)CH3
   91282.5264  0.0042 -7.0885 3  121.9210360  59516140422 814 1    211111 1      C-13-H3C(O)CH3
   91284.3504  0.0087 -5.1727 3  212.2462220  5951614042719 8 3    2718 9 3      C-13-H3C(O)CH3
   91287.8734  0.0150 -7.8527 3   81.0781280  5951614041710 7 1    1613 4 1      C-13-H3C(O)CH3
   91292.6670  0.0042 -4.8885 3  145.3796360 -5951614042217 6 1    2216 7 1      C-13-H3C(O)CH3
   91297.0401  0.0046 -4.8889 3  145.4401360 -5951614042217 5 1    2216 6 1      C-13-H3C(O)CH3
   91298.9710  0.0119 -7.3908 3   29.3781 84  59516140410 8 3 3     9 9 0 3      C-13-H3C(O)CH3
   91309.9998  0.0108 -6.6713 3  243.3157236  595161404292010 3    291910 3      C-13-H3C(O)CH3
   91326.0631  0.0042 -7.0852 3  121.9178360  59516140422 814 2    211111 2      C-13-H3C(O)CH3
   91327.4511  0.0063 -6.6753 3   29.3756168  59516140410 8 2 2     9 9 0 2      C-13-H3C(O)CH3
   91356.1392  0.0041 -7.3907 3  121.9319180  59516140422 814 3    211111 3      C-13-H3C(O)CH3
   91356.3510  0.0050 -7.3907 3  121.9319180  59516140422 814 4    211111 4      C-13-H3C(O)CH3
   91363.4874  0.0043 -4.8907 3  145.3911360 -5951614042217 6 2    2216 7 2      C-13-H3C(O)CH3
   91390.9582  0.0080 -6.9628 3   29.4496 84  59516140410 8 2 4     9 9 0 4      C-13-H3C(O)CH3
   91399.7288  0.0044 -4.8834 3  145.4277360  5951614042217 5 0    2216 6 0      C-13-H3C(O)CH3
   91443.6151  0.0053 -6.7037 3   21.8749 76  595161404 9 6 4 4     8 7 2 4      C-13-H3C(O)CH3
   91447.2030  0.0065 -6.6710 3   29.3726168  59516140410 8 2 1     9 9 0 1      C-13-H3C(O)CH3
   91448.9338  0.0043 -4.8906 3  145.4397360 -5951614042217 5 2    2216 6 2      C-13-H3C(O)CH3
   91458.2413  0.0098 -7.1603 3   29.3728 84  59516140410 8 3 3     9 9 1 3      C-13-H3C(O)CH3
   91464.3537  0.0065 -5.3899 3  103.1278148  5951614041816 3 4    1815 4 4      C-13-H3C(O)CH3
   91475.5493  0.0062 -5.3903 3  103.2026148  5951614041816 2 3    1815 3 3      C-13-H3C(O)CH3
   91483.3993  0.0090 -7.4340 3   24.5550 76  595161404 9 8 2 4     9 5 4 4      C-13-H3C(O)CH3
   91493.1908  0.0025 -5.0898 3  118.8800172  595161404211111 4    211012 4      C-13-H3C(O)CH3
   91493.6063  0.0018 -5.0898 3  118.8800172  595161404211111 3    211012 3      C-13-H3C(O)CH3
   91530.4786  0.0208 -6.0710 3  145.3950180  5951614042217 5 3    2216 7 3      C-13-H3C(O)CH3
   91537.8758  0.0018 -4.7878 3  118.8644344 -595161404211111 2    211012 2      C-13-H3C(O)CH3
   91560.2486  0.0018 -4.7878 3  118.8668344 -595161404211111 1    211012 1      C-13-H3C(O)CH3
   91585.2426  0.0064 -5.3896 3  103.1963148  5951614041816 3 3    1815 4 3      C-13-H3C(O)CH3
   91596.2903  0.0074 -4.9206 3  212.2616440 -5951614042719 8 1    2718 9 1      C-13-H3C(O)CH3
   91598.1414  0.0072 -5.3899 3  103.2711148  5951614041816 2 4    1815 3 4      C-13-H3C(O)CH3
   91601.5624  0.0059 -6.6725 3   29.3042168  59516140410 8 3 2     9 9 1 2      C-13-H3C(O)CH3
   91604.6552  0.0018 -4.7869 3  118.8513344 -595161404211111 0    211012 0      C-13-H3C(O)CH3
   91607.3438  0.0045 -4.8403 3  212.2724440  5951614042719 8 0    2718 9 0      C-13-H3C(O)CH3
   91617.2892  0.0061 -4.9251 3  183.2506408 -5951614042518 8 1    2517 9 1      C-13-H3C(O)CH3
   91617.6521  0.0059 -7.9251 3  137.6934360  5951614042214 8 1    221310 1      C-13-H3C(O)CH3
   91633.3698  0.0061 -6.6564 3   29.2987168  59516140410 8 2 0     9 9 1 0      C-13-H3C(O)CH3
   91639.1854  0.0073 -6.5288 3  243.3297472  595161404292010 2    291910 2      C-13-H3C(O)CH3
   91662.3930  0.0079 -4.8987 3  212.2590440 -5951614042719 8 2    2718 9 2      C-13-H3C(O)CH3
   91691.5629  0.0066 -7.7604 3  137.6977180  5951614042214 8 4    221310 4      C-13-H3C(O)CH3
   91691.9748  0.0059 -6.6691 3   29.2959168  59516140410 8 3 1     9 9 1 1      C-13-H3C(O)CH3
   91696.2020  0.0039 -7.0795 3  121.8921360  59516140422 914 0    211011 0      C-13-H3C(O)CH3
   91711.6994  0.0043 -7.0841 3  121.9067360  59516140422 914 1    211011 1      C-13-H3C(O)CH3
   91741.7998  0.0139 -5.3385 3  645.1416776  595161404482919 2    482820 2      C-13-H3C(O)CH3
   91752.5102  0.0151 -5.6391 3  645.1196388  595161404482919 3    482820 3      C-13-H3C(O)CH3
   91754.9456  0.0105 -5.2322 3  212.2501220  5951614042719 8 4    2718 9 4      C-13-H3C(O)CH3
   91756.2078  0.0159 -5.3389 3  645.1737776  595161404482919 0    482820 0      C-13-H3C(O)CH3
   91764.7177  0.0136 -5.6391 3  645.1199388  595161404482919 4    482820 4      C-13-H3C(O)CH3
   91766.8227  0.0043 -7.0807 3  121.9031360  59516140422 914 2    211011 2      C-13-H3C(O)CH3
   91767.4281  0.0165 -5.3385 3  645.1519776  595161404482919 1    482820 1      C-13-H3C(O)CH3
   91767.9846  0.0059 -5.0869 3  103.1638296  5951614041816 3 1    1815 4 1      C-13-H3C(O)CH3
   91773.6951  0.0043 -4.8800 3  145.4141360 -5951614042217 6 0    2216 7 0      C-13-H3C(O)CH3
   91776.2069  0.0057 -5.0869 3  103.1765296  5951614041816 3 2    1815 4 2      C-13-H3C(O)CH3
   91780.8828  0.0053 -7.3863 3  121.9177180  59516140422 914 4    211011 4      C-13-H3C(O)CH3
   91781.9527  0.0057 -5.0873 3  103.2385296  5951614041816 2 1    1815 3 1      C-13-H3C(O)CH3
   91783.2389  0.0042 -7.3863 3  121.9176180  59516140422 914 3    211011 3      C-13-H3C(O)CH3
   91814.2233  0.0047 -5.1200 3  240.0105236  595161404291911 4    291812 4      C-13-H3C(O)CH3
   91828.7452  0.0036 -4.8181 3  240.0286472 -595161404291911 1    291812 1      C-13-H3C(O)CH3
   91838.7847  0.0263 -6.9287 3  171.1489196  5951614042418 7 4    2417 7 4      C-13-H3C(O)CH3
   91839.9769  0.0037 -5.1186 3  240.0107236  595161404291911 3    291812 3      C-13-H3C(O)CH3
   91841.3699  0.0088 -5.1873 3  183.2444204  5951614042518 8 3    2517 9 3      C-13-H3C(O)CH3
   91861.4062  0.0072 -4.9351 3  183.2555408 -5951614042518 8 2    2517 9 2      C-13-H3C(O)CH3
   91870.8762  0.0099 -4.9442 3  349.5946568 -595161404352312 1    352213 1      C-13-H3C(O)CH3
   91899.7546  0.0053 -5.0865 3  103.2449296  5951614041816 2 2    1815 3 2      C-13-H3C(O)CH3
   91966.3157  0.0032 -4.8163 3  240.0427472 -595161404291911 0    291812 0      C-13-H3C(O)CH3
   91967.1650  0.0033 -4.8164 3  240.0248472 -595161404291911 2    291812 2      C-13-H3C(O)CH3
   91994.9975  0.0088 -4.9434 3  349.6116568  595161404352312 0    352213 0      C-13-H3C(O)CH3
   92037.0655  0.0089 -7.1531 3   29.3781 84  59516140410 8 2 3     9 9 0 3      C-13-H3C(O)CH3
   92076.7321  0.0147 -5.2448 3  349.5675284  595161404352312 3    352213 3      C-13-H3C(O)CH3
   92079.8565  0.0059 -5.0850 3  103.2125296  5951614041816 2 0    1815 3 0      C-13-H3C(O)CH3
   92084.6932  0.0144 -5.2445 3  349.5670284  595161404352312 4    352213 4      C-13-H3C(O)CH3
   92084.7866  0.0059 -5.0850 3  103.2123296  5951614041816 3 0    1815 4 0      C-13-H3C(O)CH3
   92098.6101  0.0064 -6.9559 3   29.3014 84  59516140410 8 3 4     9 9 1 4      C-13-H3C(O)CH3
   92114.1598  0.0069 -6.9269 3   52.9981232  59516140414 7 7 0    1310 4 0      C-13-H3C(O)CH3
   92155.7359  0.0196 -7.9803 3  499.6560680  595161404422716 1    422616 1      C-13-H3C(O)CH3
   92190.3782  0.0024 -5.0887 3  219.7704228  595161404281712 4    281613 4      C-13-H3C(O)CH3
   92195.8514  0.0025 -5.0887 3  219.7704228  595161404281712 3    281613 3      C-13-H3C(O)CH3
   92195.9435  0.0026 -4.7875 3  219.7861456 -595161404281712 1    281613 1      C-13-H3C(O)CH3
   92196.3357  0.0131 -7.3810 3   29.3728 84  59516140410 8 2 3     9 9 1 3      C-13-H3C(O)CH3
   92209.5799  0.0120 -4.9428 3  349.5843568 -595161404352312 2    352213 2      C-13-H3C(O)CH3
   92216.6341  0.0025 -4.7873 3  219.7807456 -595161404281712 2    281613 2      C-13-H3C(O)CH3
   92218.4245  0.0027 -4.7871 3  219.7964456 -595161404281712 0    281613 0      C-13-H3C(O)CH3
   92278.6370  0.0035 -4.8282 3  183.2681408 -5951614042518 8 0    2517 9 0      C-13-H3C(O)CH3
   92292.5880  0.0029 -4.8000 3  236.9500472 -595161404291812 1    291713 1      C-13-H3C(O)CH3
   92298.0639  0.0026 -5.1010 3  236.9317236  595161404291812 4    291713 4      C-13-H3C(O)CH3
   92303.7991  0.0028 -5.1010 3  236.9318236  595161404291812 3    291713 3      C-13-H3C(O)CH3
   92333.9744  0.0030 -4.7995 3  236.9628472 -595161404291812 0    291713 0      C-13-H3C(O)CH3
   92343.8824  0.0028 -4.7995 3  236.9445472 -595161404291812 2    291713 2      C-13-H3C(O)CH3
   92366.2902  0.0119 -6.0538 3  183.2444204  5951614042518 7 3    2517 9 3      C-13-H3C(O)CH3
   92396.3616  0.0033 -7.8316 3  209.1642220  5951614042718 9 3    271711 3      C-13-H3C(O)CH3
   92465.2888  0.0030 -6.8650 3  209.1773440  5951614042718 9 1    271711 1      C-13-H3C(O)CH3
   92472.4833  0.0026 -7.3706 3  209.1745440  5951614042718 9 2    271711 2      C-13-H3C(O)CH3
   92500.4114  0.0089 -5.1620 3  243.3157236  5951614042920 9 3    291910 3      C-13-H3C(O)CH3
   92511.3165  0.0342 -7.4980 3  499.6450680  595161404422716 2    422616 2      C-13-H3C(O)CH3
   92535.8222  0.0050 -6.8100 3  209.1635220  5951614042718 9 4    271711 4      C-13-H3C(O)CH3
   92548.8212  0.0083 -5.1417 3  225.7982228  595161404281910 4    281811 4      C-13-H3C(O)CH3
   92584.8079  0.0325 -7.4193 3  499.6266340  595161404422716 4    422616 4      C-13-H3C(O)CH3
   92622.2469  0.0070 -4.8809 3  243.3336472 -5951614042920 9 1    291910 1      C-13-H3C(O)CH3
   92627.3953  0.0034 -7.8413 3  193.1589424  5951614042617 9 2    261611 2      C-13-H3C(O)CH3
   92667.5053  0.0019 -5.0972 3  106.3077164  59516140420 911 3    20 812 3      C-13-H3C(O)CH3
   92668.4632  0.0026 -5.0972 3  106.3077164  59516140420 911 4    20 812 4      C-13-H3C(O)CH3
   92673.2594  0.0034 -7.3827 3  193.1628424  5951614042617 9 1    261611 1      C-13-H3C(O)CH3
   92679.9209  0.0046 -4.8276 3  225.8147456 -595161404281910 1    281811 1      C-13-H3C(O)CH3
   92680.5193  0.0067 -6.5838 3   16.9218 68  595161404 8 5 3 4     7 6 1 4      C-13-H3C(O)CH3
   92703.5100  0.0106 -5.2014 3  243.3163236  5951614042920 9 4    291910 4      C-13-H3C(O)CH3
   92708.4737  0.0047 -5.1196 3  225.7991228  595161404281910 3    281811 3      C-13-H3C(O)CH3
   92723.6993  0.0019 -4.7951 3  106.2867328 -59516140420 911 2    20 812 2      C-13-H3C(O)CH3
   92724.8855  0.0040 -7.2917 3  193.1521212  5951614042617 9 4    261611 4      C-13-H3C(O)CH3
   92727.2664  0.0015 -6.3572 3    5.6001 44  595161404 5 4 2 4     4 3 2 4      C-13-H3C(O)CH3
   92736.9807  0.0082 -4.9005 3  311.9972536 -595161404332211 1    332112 1      C-13-H3C(O)CH3
   92747.2458  0.0019 -4.7952 3  106.2887328 -59516140420 911 1    20 812 1      C-13-H3C(O)CH3
   92761.0929  0.0062 -4.8548 3  243.3297472 -5951614042920 9 2    291910 2      C-13-H3C(O)CH3
   92764.6561  0.0051 -4.8455 3  243.3472472 -5951614042920 9 0    291910 0      C-13-H3C(O)CH3
   92797.9105  0.0066 -7.2311 3   53.0609116  59516140414 7 7 3    1310 4 3      C-13-H3C(O)CH3
   92802.9364  0.0018 -4.7941 3  106.2679328 -59516140420 911 0    20 812 0      C-13-H3C(O)CH3
   92805.3988  0.0025 -5.0960 3  106.3080164  595161404201011 4    20 912 4      C-13-H3C(O)CH3
   92805.4056  0.0018 -5.0960 3  106.3080164  595161404201011 3    20 912 3      C-13-H3C(O)CH3
   92824.8127  0.0096 -7.1433 3   24.4939152  595161404 9 8 2 1     9 5 4 1      C-13-H3C(O)CH3
   92845.9317  0.0110 -5.2000 3  311.9726268  595161404332211 4    332112 4      C-13-H3C(O)CH3
   92857.8602  0.0122 -5.2025 3  311.9733268  595161404332211 3    332112 3      C-13-H3C(O)CH3
   92866.3671  0.0019 -4.7939 3  106.2871328 -595161404201011 2    20 912 2      C-13-H3C(O)CH3
   92866.6419  0.0049 -6.6535 3   28.1008 84  59516140410 7 3 3    10 4 6 3      C-13-H3C(O)CH3
   92885.9435  0.0018 -4.7939 3  106.2891328 -595161404201011 1    20 912 1      C-13-H3C(O)CH3
   92887.5912  0.0039 -4.8173 3  225.8135456 -595161404281910 2    281811 2      C-13-H3C(O)CH3
   92906.8411  0.0182 -6.6293 3  145.3911360  5951614042217 5 2    2216 7 2      C-13-H3C(O)CH3
   92919.7756  0.0072 -4.8986 3  312.0134536  595161404332211 0    332112 0      C-13-H3C(O)CH3
   92934.9201  0.0121 -5.4961 3  183.2555408  5951614042518 7 2    2517 9 2      C-13-H3C(O)CH3
   92941.0343  0.0032 -4.8134 3  225.8294456 -595161404281910 0    281811 0      C-13-H3C(O)CH3
   92946.8075  0.0018 -4.7928 3  106.2682328 -595161404201011 0    20 912 0      C-13-H3C(O)CH3
   92964.3593  0.0018 -6.5388 3    5.5313 88  595161404 5 4 2 1     4 3 2 1      C-13-H3C(O)CH3
   92986.3707  0.0020 -6.6197 3    5.5314 88  595161404 5 4 2 2     4 3 2 2      C-13-H3C(O)CH3
   92987.0483  0.0070 -5.5298 3   94.6742140  5951614041716 1 3    1715 2 3      C-13-H3C(O)CH3
   92987.0710  0.0024 -5.0735 3  203.1751220  595161404271612 4    271513 4      C-13-H3C(O)CH3
   92991.3094  0.0023 -5.0735 3  203.1751220  595161404271612 3    271513 3      C-13-H3C(O)CH3
   92995.7672  0.0072 -5.5294 3   94.5961140  5951614041716 2 4    1715 3 4      C-13-H3C(O)CH3
   92999.9888  0.0023 -4.7721 3  203.1827440 -595161404271612 2    271513 2      C-13-H3C(O)CH3
   93002.5059  0.0023 -4.7722 3  203.1877440 -595161404271612 1    271513 1      C-13-H3C(O)CH3
   93002.9842  0.0070 -4.8739 3  276.5775504 -595161404312110 1    312011 1      C-13-H3C(O)CH3
   93008.6729  0.0094 -7.0856 3   53.0094232  59516140414 7 7 2    1310 4 2      C-13-H3C(O)CH3
   93012.6473  0.0024 -4.7719 3  203.1953440 -595161404271612 0    271513 0      C-13-H3C(O)CH3
   93024.2225  0.0102 -5.1736 3  276.5567252  595161404312110 3    312011 3      C-13-H3C(O)CH3
   93038.7462  0.0091 -4.8983 3  311.9892536 -595161404332211 2    332112 2      C-13-H3C(O)CH3
   93046.9218  0.0090 -5.1759 3  276.5562252  595161404312110 4    312011 4      C-13-H3C(O)CH3
   93065.3364  0.0042 -6.3503 3   28.0418168  59516140410 7 3 2    10 4 6 2      C-13-H3C(O)CH3
   93075.2106  0.0122 -5.5416 3  183.2506408  5951614042518 7 1    2517 9 1      C-13-H3C(O)CH3
   93083.4985  0.0036 -6.3539 3   28.0430168  59516140410 7 3 1    10 4 6 1      C-13-H3C(O)CH3
   93094.8064  0.0078 -5.5296 3   94.7485140  5951614041716 1 4    1715 2 4      C-13-H3C(O)CH3
   93102.4549  0.0072 -5.5291 3   94.6702140  5951614041716 2 3    1715 3 3      C-13-H3C(O)CH3
   93107.1998  0.0114 -7.1473 3   24.4910152  595161404 9 8 2 2     9 5 4 2      C-13-H3C(O)CH3
   93109.8529  0.0179 -6.8095 3  145.3796360  5951614042217 5 1    2216 7 1      C-13-H3C(O)CH3
   93131.0773  0.0027 -6.3406 3   27.9841168  59516140410 7 3 0    10 4 6 0      C-13-H3C(O)CH3
   93136.6508  0.0169 -6.2001 3  171.1416392  5951614042418 7 1    2417 7 1      C-13-H3C(O)CH3
   93157.8033  0.0037 -6.6737 3   28.1009 84  59516140410 7 3 4    10 4 6 4      C-13-H3C(O)CH3
   93200.6122  0.0059 -6.4206 3   16.8382136  595161404 8 5 3 2     7 6 1 2      C-13-H3C(O)CH3
   93202.5140  0.0060 -4.8654 3  276.5927504 -595161404312110 0    312011 0      C-13-H3C(O)CH3
   93237.8623  0.0068 -4.8652 3  276.5717504 -595161404312110 2    312011 2      C-13-H3C(O)CH3
   93240.8202  0.0060 -6.3946 3   16.8392136  595161404 8 5 3 1     7 6 1 1      C-13-H3C(O)CH3
   93292.1842  0.0059 -7.8242 3   10.3267104  595161404 6 6 1 0     6 3 4 0      C-13-H3C(O)CH3
   93300.1656  0.0066 -5.2265 3   94.6486280  5951614041716 2 2    1715 3 2      C-13-H3C(O)CH3
   93303.4028  0.0064 -5.2268 3   94.7141280  5951614041716 1 1    1715 2 1      C-13-H3C(O)CH3
   93309.8376  0.0067 -5.2264 3   94.6360280  5951614041716 2 1    1715 3 1      C-13-H3C(O)CH3
   93315.4921  0.0085 -7.0895 3   53.0027232  59516140414 7 7 1    1310 4 1      C-13-H3C(O)CH3
   93328.2840  0.0022 -5.5060 3   11.4895 60  595161404 7 3 4 3     6 4 3 3      C-13-H3C(O)CH3
   93329.9227  0.0018 -5.2077 3   11.3559120 -595161404 7 3 4 0     6 4 3 0      C-13-H3C(O)CH3
   93331.0739  0.0023 -5.2072 3   11.4220120 -595161404 7 3 4 2     6 4 3 2      C-13-H3C(O)CH3
   93367.1450  0.0021 -5.2059 3   11.4222120  595161404 7 3 4 1     6 4 3 1      C-13-H3C(O)CH3
   93384.4283  0.0101 -7.6984 3   24.5536 76  595161404 9 8 2 3     9 5 4 3      C-13-H3C(O)CH3
   93408.4137  0.0021 -5.5068 3   11.4874 60  595161404 7 3 4 4     6 4 3 4      C-13-H3C(O)CH3
   93409.1647  0.0059 -5.2262 3   94.7228280  5951614041716 1 2    1715 2 2      C-13-H3C(O)CH3
   93560.3213  0.0263 -7.0242 3  134.8121172  5951614042117 5 3    2116 5 3      C-13-H3C(O)CH3
   93571.0038  0.0033 -4.8078 3  254.6874488 -595161404301912 1    301813 1      C-13-H3C(O)CH3
   93589.8123  0.0033 -5.1088 3  254.6670244  595161404301912 4    301813 4      C-13-H3C(O)CH3
   93591.1862  0.0093 -7.2570 3   24.5536 76  595161404 9 8 1 3     9 5 4 3      C-13-H3C(O)CH3
   93593.9756  0.0032 -5.1087 3  254.6671244  595161404301912 3    301813 3      C-13-H3C(O)CH3
   93604.0836  0.0173 -5.9835 3  171.1403392  5951614042418 7 2    2417 7 2      C-13-H3C(O)CH3
   93616.5777  0.0066 -5.2245 3   94.6885280  5951614041716 1 0    1715 2 0      C-13-H3C(O)CH3
   93617.1040  0.0066 -5.2245 3   94.6884280  5951614041716 2 0    1715 3 0      C-13-H3C(O)CH3
   93633.9241  0.0033 -4.8072 3  254.7024488 -595161404301912 0    301813 0      C-13-H3C(O)CH3
   93656.8465  0.0032 -4.8071 3  254.6821488 -595161404301912 2    301813 2      C-13-H3C(O)CH3
   93701.6771  0.0207 -5.9584 3  183.2323204  5951614042518 7 4    2517 9 4      C-13-H3C(O)CH3
   93704.5343  0.0044 -4.7942 3  233.5695472 -595161404291613 2    291514 2      C-13-H3C(O)CH3
   93709.3703  0.0183 -7.9007 3   71.1747132  59516140416 9 7 4    1512 3 4      C-13-H3C(O)CH3
   93729.7846  0.0036 -4.7940 3  233.5879472 -595161404291613 0    291514 0      C-13-H3C(O)CH3
   93742.8361  0.0057 -5.2172 3  134.7478172  5951614042117 5 4    2116 6 4      C-13-H3C(O)CH3
   93755.9040  0.0054 -5.2244 3  134.8121172  5951614042117 4 3    2116 5 3      C-13-H3C(O)CH3
   93805.5245  0.0059 -5.0946 3  233.5572236  595161404291613 3    291514 3      C-13-H3C(O)CH3
   93812.5100  0.0055 -5.0946 3  233.5573236  595161404291613 4    291514 4      C-13-H3C(O)CH3
   93832.3446  0.0046 -4.7934 3  233.5757472 -595161404291613 1    291514 1      C-13-H3C(O)CH3
   93873.6214  0.0055 -5.2236 3  134.8016172  5951614042117 5 3    2116 6 3      C-13-H3C(O)CH3
   93889.6118  0.0067 -5.2171 3  134.8659172  5951614042117 4 4    2116 5 4      C-13-H3C(O)CH3
   93892.9639  0.0019 -5.1101 3   94.3138156 -59516140419 811 3    19 712 3      C-13-H3C(O)CH3
   93893.4470  0.0026 -5.1101 3   94.3138156 -59516140419 811 4    19 712 4      C-13-H3C(O)CH3
   93937.2370  0.0019 -5.1097 3   94.3139156  59516140419 911 3    19 812 3      C-13-H3C(O)CH3
   93937.3720  0.0026 -5.1097 3   94.3139156  59516140419 911 4    19 812 4      C-13-H3C(O)CH3
   93969.7090  0.0019 -4.8078 3   94.2872312  59516140419 811 2    19 712 2      C-13-H3C(O)CH3
   93987.2695  0.0019 -4.8079 3   94.2888312 -59516140419 811 1    19 712 1      C-13-H3C(O)CH3
   94009.7869  0.0190 -5.9007 3  171.1178196  5951614042418 7 3    2417 7 3      C-13-H3C(O)CH3
   94010.2155  0.0047 -4.9147 3  134.7811344 -5951614042117 5 1    2116 6 1      C-13-H3C(O)CH3
   94015.6205  0.0019 -4.8074 3   94.2873312 -59516140419 911 2    19 812 2      C-13-H3C(O)CH3
   94031.5681  0.0049 -4.9149 3  134.8450344 -5951614042117 4 1    2116 5 1      C-13-H3C(O)CH3
   94031.8279  0.0019 -4.8075 3   94.2889312 -59516140419 911 1    19 812 1      C-13-H3C(O)CH3
   94039.8372  0.0130 -7.6094 3   71.1229264  59516140416 9 7 2    1512 3 2      C-13-H3C(O)CH3
   94046.8935  0.0047 -4.9146 3  134.7938344 -5951614042117 5 2    2116 6 2      C-13-H3C(O)CH3
   94063.6680  0.0019 -4.8067 3   94.2622312  59516140419 811 0    19 712 0      C-13-H3C(O)CH3
   94069.2041  0.0259 -7.0193 3  134.8016172  5951614042117 4 3    2116 6 3      C-13-H3C(O)CH3
   94110.0125  0.0018 -4.8063 3   94.2623312 -59516140419 911 0    19 812 0      C-13-H3C(O)CH3
   94143.5179  0.0026 -4.7578 3  171.6658408 -595161404251312 2    251213 2      C-13-H3C(O)CH3
   94173.6326  0.0045 -4.9141 3  134.8477344 -5951614042117 4 2    2116 5 2      C-13-H3C(O)CH3
   94175.4516  0.0023 -4.7574 3  171.6707408 -595161404251312 0    251213 0      C-13-H3C(O)CH3
   94176.7626  0.0030 -5.0589 3  171.6650204  595161404251312 3    251213 3      C-13-H3C(O)CH3
   94181.1586  0.0035 -5.0589 3  171.6650204  595161404251312 4    251213 4      C-13-H3C(O)CH3
   94207.0766  0.0300 -5.4552 3  728.1565824  595161404513120 0    513021 0      C-13-H3C(O)CH3
   94210.1420  0.0026 -4.7575 3  171.6699408 -595161404251312 1    251213 1      C-13-H3C(O)CH3
   94210.6653  0.0053 -5.9082 3   16.7417136  595161404 8 5 3 0     7 6 2 0      C-13-H3C(O)CH3
   94217.7416  0.0078 -5.7968 3   86.6619132  5951614041616 1 3    1615 1 3      C-13-H3C(O)CH3
   94243.9812  0.0079 -5.7962 3   86.5809132  5951614041616 1 4    1615 2 4      C-13-H3C(O)CH3
   94276.7897  0.0050 -4.9130 3  134.8283344  5951614042117 4 0    2116 5 0      C-13-H3C(O)CH3
   94291.0595  0.0136 -7.6014 3   71.1214264  59516140416 9 7 1    1512 3 1      C-13-H3C(O)CH3
   94302.8799  0.0266 -5.4542 3  728.1349824  595161404513120 1    513021 1      C-13-H3C(O)CH3
   94311.3254  0.0084 -5.7966 3   86.7413132  5951614041616 0 4    1615 1 4      C-13-H3C(O)CH3
   94315.3393  0.0249 -5.4540 3  728.1268824  595161404513120 2    513021 2      C-13-H3C(O)CH3
   94336.9758  0.0080 -5.7961 3   86.6601132  5951614041616 0 3    1615 2 3      C-13-H3C(O)CH3
   94340.5799  0.0082 -5.2261 3  171.1178196 -5951614042418 6 3    2417 7 3      C-13-H3C(O)CH3
   94345.0361  0.0044 -6.4557 3   34.6534 92  59516140411 8 3 3    11 5 6 3      C-13-H3C(O)CH3
   94353.9022  0.0050 -4.9123 3  134.8255344 -5951614042117 5 0    2116 6 0      C-13-H3C(O)CH3
   94354.9125  0.0025 -5.0577 3  187.1425212  595161404261512 4    261413 4      C-13-H3C(O)CH3
   94357.6563  0.0022 -5.0577 3  187.1424212  595161404261512 3    261413 3      C-13-H3C(O)CH3
   94362.8979  0.0022 -4.7563 3  187.1470424 -595161404261512 2    261413 2      C-13-H3C(O)CH3
   94380.1047  0.0022 -4.7563 3  187.1514424 -595161404261512 1    261413 1      C-13-H3C(O)CH3
   94386.4062  0.0022 -4.7559 3  187.1560424 -595161404261512 0    261413 0      C-13-H3C(O)CH3
   94399.3444  0.0262 -7.5847 3  145.3508180  5951614042217 5 4    2216 7 4      C-13-H3C(O)CH3
   94408.8431  0.0134 -5.7541 3  728.1050412  595161404513120 3    513021 3      C-13-H3C(O)CH3
   94428.5734  0.0056 -7.3388 3  253.1790520  595161404321121 0    311418 0      C-13-H3C(O)CH3
   94428.7370  0.0199 -5.7540 3  728.1054412  595161404513120 4    513021 4      C-13-H3C(O)CH3
   94429.1230  0.0056 -7.3388 3  253.1789520  595161404321221 0    311318 0      C-13-H3C(O)CH3
   94459.3605  0.0064 -7.3420 3  253.1618520  595161404321121 1    311418 1      C-13-H3C(O)CH3
   94459.9043  0.0064 -7.3420 3  253.1618520  595161404321221 1    311318 1      C-13-H3C(O)CH3
   94467.7832  0.0086 -7.5822 3  371.9767632  595161404391326 1    381623 1      C-13-H3C(O)CH3
   94467.7860  0.0086 -7.5822 3  371.9767632  595161404391426 1    381523 1      C-13-H3C(O)CH3
   94470.3296  0.0095 -7.4144 3   53.0057116  59516140414 7 7 4    1310 4 4      C-13-H3C(O)CH3
   94470.5315  0.0088 -6.8231 3   24.4309152  595161404 9 8 1 0     9 5 4 0      C-13-H3C(O)CH3
   94477.1886  0.0082 -7.8833 3  371.9480316  595161404391326 3    381623 3      C-13-H3C(O)CH3
   94477.1916  0.0082 -7.8833 3  371.9480316  595161404391426 3    381523 3      C-13-H3C(O)CH3
   94477.3142  0.0083 -7.8833 3  371.9480316  595161404391326 4    381623 4      C-13-H3C(O)CH3
   94477.3172  0.0083 -7.8833 3  371.9480316  595161404391426 4    381523 4      C-13-H3C(O)CH3
   94477.3936  0.0073 -7.5797 3  372.0033632  595161404391326 0    381623 0      C-13-H3C(O)CH3
   94477.3962  0.0073 -7.5797 3  372.0033632  595161404391426 0    381523 0      C-13-H3C(O)CH3
   94486.8352  0.0086 -7.5797 3  371.9746632  595161404391326 2    381623 2      C-13-H3C(O)CH3
   94486.8382  0.0086 -7.5797 3  371.9746632  595161404391426 2    381523 2      C-13-H3C(O)CH3
   94489.4323  0.0064 -7.3391 3  253.1590520  595161404321121 2    311418 2      C-13-H3C(O)CH3
   94490.0036  0.0064 -7.3391 3  253.1590520  595161404321221 2    311318 2      C-13-H3C(O)CH3
   94512.4781  0.0142 -7.6992 3   61.8204124  59516140415 8 7 4    1411 3 4      C-13-H3C(O)CH3
   94520.2403  0.0061 -7.6433 3  253.1418260  595161404321121 3    311418 3      C-13-H3C(O)CH3
   94520.3103  0.0064 -7.6433 3  253.1418260  595161404321121 4    311418 4      C-13-H3C(O)CH3
   94520.8062  0.0061 -7.6433 3  253.1418260  595161404321221 3    311318 3      C-13-H3C(O)CH3
   94520.8733  0.0064 -7.6433 3  253.1418260  595161404321221 4    311318 4      C-13-H3C(O)CH3
   94537.7765  0.0156 -7.7701 3  124.7814344  5951614042113 8 0    2016 5 0      C-13-H3C(O)CH3
   94542.0340  0.0076 -5.4934 3   86.6369264  5951614041616 1 2    1615 2 2      C-13-H3C(O)CH3
   94542.7991  0.0071 -5.4938 3   86.7056264  5951614041616 0 1    1615 1 1      C-13-H3C(O)CH3
   94544.3645  0.0049 -6.2075 3   16.8577 68  595161404 8 5 3 3     7 6 2 3      C-13-H3C(O)CH3
   94567.1716  0.0076 -5.4932 3   86.6246264  5951614041616 1 1    1615 2 1      C-13-H3C(O)CH3
   94591.9327  0.0057 -5.1471 3  171.0570196  5951614042418 7 4    2417 8 4      C-13-H3C(O)CH3
   94636.9839  0.0066 -5.4932 3   86.7162264  5951614041616 0 2    1615 1 2      C-13-H3C(O)CH3
   94650.6188  0.0066 -5.1476 3  171.1489196  5951614042418 6 4    2417 7 4      C-13-H3C(O)CH3
   94695.2692  0.0119 -7.2760 3   71.0679264  59516140416 9 7 0    1512 4 0      C-13-H3C(O)CH3
   94700.6520  0.0046 -4.8585 3  171.1416392 -5951614042418 6 1    2417 7 1      C-13-H3C(O)CH3
   94704.6411  0.0043 -4.8388 3  171.1405392  5951614042418 6 0    2417 7 0      C-13-H3C(O)CH3
   94743.5599  0.0037 -6.1786 3   34.6001184  59516140411 8 3 1    11 5 6 1      C-13-H3C(O)CH3
   94755.9319  0.0041 -6.1725 3   34.5981184  59516140411 8 3 2    11 5 6 2      C-13-H3C(O)CH3
   94763.6807  0.0104 -5.2054 3  212.0847220  5951614042719 9 4    271810 4      C-13-H3C(O)CH3
   94772.4695  0.0031 -6.1466 3   34.5447184  59516140411 8 3 0    11 5 6 0      C-13-H3C(O)CH3
   94805.2180  0.0079 -6.0641 3   16.7847136  595161404 8 5 3 2     7 6 2 2      C-13-H3C(O)CH3
   94827.8909  0.0490 -5.4127 3  702.0535808  595161404503119 0    503020 0      C-13-H3C(O)CH3
   94843.5429  0.0043 -4.8568 3  171.0847392 -5951614042418 7 1    2417 8 1      C-13-H3C(O)CH3
   94846.4566  0.0047 -4.8707 3  171.1403392 -5951614042418 6 2    2417 7 2      C-13-H3C(O)CH3
   94867.8672  0.0074 -5.4914 3   86.6805264  5951614041616 0 0    1615 1 0      C-13-H3C(O)CH3
   94867.9048  0.0074 -5.4914 3   86.6805264  5951614041616 1 0    1615 2 0      C-13-H3C(O)CH3
   94878.1067  0.0090 -7.1020 3   24.4939152  595161404 9 8 1 1     9 5 4 1      C-13-H3C(O)CH3
   94878.8874  0.0020 -5.1323 3   82.9012148  59516140418 711 3    18 612 3      C-13-H3C(O)CH3
   94879.1670  0.0027 -5.1323 3   82.9012148  59516140418 711 4    18 612 4      C-13-H3C(O)CH3
   94891.7291  0.0020 -5.1322 3   82.9012148  59516140418 811 3    18 712 3      C-13-H3C(O)CH3
   94891.8870  0.0027 -5.1322 3   82.9012148  59516140418 811 4    18 712 4      C-13-H3C(O)CH3
   94896.9490  0.0083 -5.2213 3  171.0882196  5951614042418 7 3    2417 8 3      C-13-H3C(O)CH3
   94948.7520  0.0047 -4.8692 3  171.0954392 -5951614042418 7 2    2417 8 2      C-13-H3C(O)CH3
   94971.1620  0.0031 -6.8891 3   82.8407296  59516140418 711 0    1710 8 0      C-13-H3C(O)CH3
   94971.2051  0.0050 -6.9670 3   22.1113 76  595161404 9 6 3 3     9 3 6 3      C-13-H3C(O)CH3
   94974.0148  0.0020 -4.8299 3   82.8684296 -59516140418 711 2    18 612 2      C-13-H3C(O)CH3
   94978.7703  0.0089 -7.1024 3   24.4910152  595161404 9 8 1 2     9 5 4 2      C-13-H3C(O)CH3
   94987.3743  0.0020 -4.8298 3   82.8684296 -59516140418 811 2    18 712 2      C-13-H3C(O)CH3
   94987.3743  0.0020 -4.8300 3   82.8697296 -59516140418 711 1    18 612 1      C-13-H3C(O)CH3
   94989.7638  0.0067 -6.0724 3   16.7808136  595161404 8 5 3 1     7 6 2 1      C-13-H3C(O)CH3
   94994.2702  0.0042 -7.1162 3  156.7659408  59516140425 916 0    241213 0      C-13-H3C(O)CH3
   94998.3454  0.0104 -7.4218 3   61.7613248  59516140415 8 7 2    1411 3 2      C-13-H3C(O)CH3
   95000.2999  0.0020 -4.8299 3   82.8697296 -59516140418 811 1    18 712 1      C-13-H3C(O)CH3
   95005.9379  0.0034 -6.8938 3   82.8691296  59516140418 711 1    1710 8 1      C-13-H3C(O)CH3
   95007.9889  0.0042 -6.5276 3   34.6538 92  59516140411 8 3 4    11 5 6 4      C-13-H3C(O)CH3
   95028.2774  0.0047 -7.1202 3  156.7689408  59516140425 916 1    241213 1      C-13-H3C(O)CH3
   95028.5390  0.0033 -6.8908 3   82.8666296  59516140418 711 2    1710 8 2      C-13-H3C(O)CH3
   95054.0161  0.0034 -7.1967 3   82.8953148  59516140418 711 3    1710 8 3      C-13-H3C(O)CH3
   95067.5748  0.0069 -6.9864 3    6.4095 44 -595161404 5 5 1 4     4 4 0 4      C-13-H3C(O)CH3
   95070.6756  0.0047 -7.1170 3  156.7656408  59516140425 916 2    241213 2      C-13-H3C(O)CH3
   95071.8773  0.0045 -6.6583 3   22.0483152  595161404 9 6 3 2     9 3 6 2      C-13-H3C(O)CH3
   95072.4850  0.0040 -7.1965 3   82.8947148  59516140418 711 4    1710 8 4      C-13-H3C(O)CH3
   95073.4515  0.0045 -7.2072 3  225.7991228  5951614042819 9 3    281811 3      C-13-H3C(O)CH3
   95078.9592  0.0042 -7.1153 3  156.7631408  595161404251016 0    241113 0      C-13-H3C(O)CH3
   95079.2053  0.0068 -4.8901 3  212.1021440 -5951614042719 9 1    271810 1      C-13-H3C(O)CH3
   95082.2186  0.0020 -4.8286 3   82.8370296 -59516140418 711 0    18 612 0      C-13-H3C(O)CH3
   95090.8659  0.0046 -6.9715 3   22.1113 76  595161404 9 6 3 4     9 3 6 4      C-13-H3C(O)CH3
   95095.6838  0.0019 -4.8285 3   82.8371296 -59516140418 811 0    18 712 0      C-13-H3C(O)CH3
   95101.3170  0.0394 -5.3282 3  648.2344776  595161404483018 0    482919 0      C-13-H3C(O)CH3
   95104.5109  0.0053 -7.4221 3  156.7686204  59516140425 916 4    241213 4      C-13-H3C(O)CH3
   95104.7673  0.0045 -7.4221 3  156.7685204  59516140425 916 3    241213 3      C-13-H3C(O)CH3
   95110.2925  0.0047 -7.1194 3  156.7661408  595161404251016 1    241113 1      C-13-H3C(O)CH3
   95112.9214  0.0042 -6.6616 3   22.0491152  595161404 9 6 3 1     9 3 6 1      C-13-H3C(O)CH3
   95153.9285  0.0034 -6.6517 3   21.9863152  595161404 9 6 3 0     9 3 6 0      C-13-H3C(O)CH3
   95155.4353  0.0047 -7.1162 3  156.7628408  595161404251016 2    241113 2      C-13-H3C(O)CH3
   95155.8163  0.0108 -7.4123 3   61.7612248  59516140415 8 7 1    1411 3 1      C-13-H3C(O)CH3
   95173.5047  0.0422 -5.4104 3  702.0315808  595161404503119 1    503020 1      C-13-H3C(O)CH3
   95179.2933  0.0045 -6.3504 3  225.8147456  5951614042819 9 1    281811 1      C-13-H3C(O)CH3
   95186.3121  0.0053 -7.4213 3  156.7658204  595161404251016 4    241113 4      C-13-H3C(O)CH3
   95186.9918  0.0045 -7.4213 3  156.7658204  595161404251016 3    241113 3      C-13-H3C(O)CH3
   95200.4804  0.0034 -6.8983 3  225.8135456  5951614042819 9 2    281811 2      C-13-H3C(O)CH3
   95224.8983  0.0076 -5.1385 3  212.0891220  5951614042719 9 3    271810 3      C-13-H3C(O)CH3
   95227.6917  0.0185 -5.8898 3  171.0882196  5951614042418 6 3    2417 8 3      C-13-H3C(O)CH3
   95261.8303  0.0015 -5.4667 3    8.3098 52 -595161404 6 4 3 4     5 3 2 4      C-13-H3C(O)CH3
   95280.2195  0.0083 -6.3598 3  225.7982228  5951614042819 9 4    281811 4      C-13-H3C(O)CH3
   95311.3500  0.0693 -5.4096 3  702.0218808  595161404503119 2    503020 2      C-13-H3C(O)CH3
   95335.7962  0.0161 -7.9383 3  177.7911408  5951614042516 9 0    2419 6 0      C-13-H3C(O)CH3
   95363.0207  0.0015 -5.4598 3    8.3086 52 -595161404 6 4 3 3     5 3 2 3      C-13-H3C(O)CH3
   95363.4994  0.0073 -4.8664 3  212.1048440 -5951614042719 9 2    271810 2      C-13-H3C(O)CH3
   95392.4248  0.0041 -4.8328 3  171.1153392 -5951614042418 7 0    2417 8 0      C-13-H3C(O)CH3
   95399.4233  0.0918 -7.8452 3  676.3382396  595161404493119 4    493019 4      C-13-H3C(O)CH3
   95411.4502  0.0098 -7.4116 3   24.5550 76  595161404 9 8 1 4     9 5 4 4      C-13-H3C(O)CH3
   95438.4399  0.0020 -5.1595 3    8.2387104 -595161404 6 4 3 1     5 3 2 1      C-13-H3C(O)CH3
   95449.6468  0.0344 -5.3260 3  648.2129776  595161404483018 1    482919 1      C-13-H3C(O)CH3
   95473.0643  0.0022 -5.1588 3    8.2374104 -595161404 6 4 3 2     5 3 2 2      C-13-H3C(O)CH3
   95498.5501  0.0255 -6.3038 3  198.9855212  5951614042619 8 4    2618 8 4      C-13-H3C(O)CH3
   95575.7357  0.0035 -4.8059 3  212.1198440 -5951614042719 9 0    271810 0      C-13-H3C(O)CH3
   95598.6754  0.0023 -5.1561 3    8.1671104 -595161404 6 4 3 0     5 3 2 0      C-13-H3C(O)CH3
   95636.7783  0.0596 -5.7082 3  701.9996404  595161404503119 3    503020 3      C-13-H3C(O)CH3
   95652.5230  0.0617 -5.3247 3  648.2018776  595161404483018 2    482919 2      C-13-H3C(O)CH3
   95682.8318  0.0021 -5.1654 3   72.0730140  59516140417 611 3    17 512 3      C-13-H3C(O)CH3
   95683.0101  0.0028 -5.1654 3   72.0731140  59516140417 611 4    17 512 4      C-13-H3C(O)CH3
   95684.6350  0.0660 -5.7083 3  702.0003404  595161404503119 4    503020 4      C-13-H3C(O)CH3
   95686.1575  0.0021 -5.1653 3   72.0730140  59516140417 711 3    17 612 3      C-13-H3C(O)CH3
   95686.2997  0.0028 -5.1653 3   72.0731140  59516140417 711 4    17 612 4      C-13-H3C(O)CH3
   95772.5305  0.0565 -5.4956 3  758.0021840  595161404523220 0    523121 0      C-13-H3C(O)CH3
   95794.9731  0.0022 -4.8628 3   72.0339280 -59516140417 611 2    17 512 2      C-13-H3C(O)CH3
   95798.4451  0.0022 -4.8627 3   72.0339280 -59516140417 711 2    17 612 2      C-13-H3C(O)CH3
   95801.4085  0.0094 -7.0414 3   61.6975248  59516140415 8 7 0    1411 4 0      C-13-H3C(O)CH3
   95805.0861  0.0022 -4.8629 3   72.0349280 -59516140417 611 1    17 512 1      C-13-H3C(O)CH3
   95808.4398  0.0022 -4.8629 3   72.0349280 -59516140417 711 1    17 612 1      C-13-H3C(O)CH3
   95842.6961  0.0068 -6.4350 3   16.8164 68  595161404 8 5 3 4     7 6 2 4      C-13-H3C(O)CH3
   95916.9622  0.0021 -4.8613 3   71.9959280 -59516140417 611 0    17 512 0      C-13-H3C(O)CH3
   95920.4644  0.0021 -4.8613 3   71.9959280 -59516140417 711 0    17 612 0      C-13-H3C(O)CH3
   95932.0605  0.0058 -5.2719 3  124.7618164  5951614042017 3 3    2016 4 3      C-13-H3C(O)CH3
   95937.5288  0.0062 -5.2711 3  124.6935164  5951614042017 4 4    2016 5 4      C-13-H3C(O)CH3
   95948.5492  0.0017 -6.7252 3    2.3996 36  595161404 4 3 2 4     3 0 3 4      C-13-H3C(O)CH3
   95960.3280  0.0140 -7.7092 3   71.0983132  59516140416 9 7 3    1512 4 3      C-13-H3C(O)CH3
   95970.0968  0.0558 -5.6233 3  648.1801388  595161404483018 3    482919 3      C-13-H3C(O)CH3
   95985.5198  0.0026 -5.0436 3  171.6728204  595161404251412 4    251313 4      C-13-H3C(O)CH3
   95986.9892  0.0021 -5.0436 3  171.6728204  595161404251412 3    251313 3      C-13-H3C(O)CH3
   95991.7821  0.0096 -6.2913 3  212.0891220  5951614042719 8 3    271810 3      C-13-H3C(O)CH3
   95997.0375  0.0020 -4.7421 3  171.6738408 -595161404251412 2    251313 2      C-13-H3C(O)CH3
   96021.2579  0.0020 -4.7421 3  171.6777408 -595161404251412 1    251313 1      C-13-H3C(O)CH3
   96031.8736  0.0020 -4.7416 3  171.6787408 -595161404251412 0    251313 0      C-13-H3C(O)CH3
   96033.3574  0.0610 -5.6237 3  648.1809388  595161404483018 4    482919 4      C-13-H3C(O)CH3
   96040.6820  0.0017 -6.7212 3    2.3996 36  595161404 4 3 2 3     3 0 3 3      C-13-H3C(O)CH3
   96044.6697  0.0071 -5.2713 3  124.8225164  5951614042017 3 4    2016 4 4      C-13-H3C(O)CH3
   96048.2161  0.0060 -5.2712 3  124.7541164  5951614042017 4 3    2016 5 3      C-13-H3C(O)CH3
   96070.9714  0.0137 -7.5344 3   71.0551264  59516140416 9 7 2    1512 4 2      C-13-H3C(O)CH3
   96076.4013  0.0487 -5.4935 3  757.9801840  595161404523220 1    523121 1      C-13-H3C(O)CH3
   96102.9459  0.0022 -5.5469 3    5.6031 44  595161404 5 4 1 3     4 3 2 3      C-13-H3C(O)CH3
   96137.2752  0.0022 -6.4201 3    2.3246 72  595161404 4 3 2 1     3 0 3 1      C-13-H3C(O)CH3
   96152.4247  0.0712 -5.4930 3  757.9725840  595161404523220 2    523121 2      C-13-H3C(O)CH3
   96153.7353  0.0024 -6.4200 3    2.3240 72  595161404 4 3 2 2     3 0 3 2      C-13-H3C(O)CH3
   96183.1244  0.0037 -4.8104 3  273.0109504 -595161404312012 1    311913 1      C-13-H3C(O)CH3
   96191.1000  0.0174 -5.9616 3  171.0954392  5951614042418 6 2    2417 8 2      C-13-H3C(O)CH3
   96211.1388  0.0059 -4.8225 3  285.0437520 -595161404321814 2    321715 2      C-13-H3C(O)CH3
   96217.0899  0.0055 -4.9689 3  124.7993328  5951614042017 3 1    2016 4 1      C-13-H3C(O)CH3
   96217.3892  0.0039 -5.1113 3  272.9892252  595161404312012 3    311913 3      C-13-H3C(O)CH3
   96217.7535  0.0042 -5.1112 3  272.9891252  595161404312012 4    311913 4      C-13-H3C(O)CH3
   96219.3582  0.0055 -4.9684 3  124.7311328  5951614042017 4 1    2016 5 1      C-13-H3C(O)CH3
   96223.1420  0.0188 -7.4998 3  159.5326376  5951614042318 6 1    2317 6 1      C-13-H3C(O)CH3
   96231.6837  0.0054 -4.9684 3  124.7443328  5951614042017 4 2    2016 5 2      C-13-H3C(O)CH3
   96259.5518  0.0048 -4.8222 3  285.0690520 -595161404321814 0    321715 0      C-13-H3C(O)CH3
   96261.5802  0.0018 -5.2406 3    5.4613 88  595161404 5 4 1 0     4 3 2 0      C-13-H3C(O)CH3
   96265.3531  0.0035 -4.8097 3  273.0279504 -595161404312012 0    311913 0      C-13-H3C(O)CH3
   96272.6629  0.0025 -5.2619 3    5.5314 88  595161404 5 4 1 2     4 3 2 2      C-13-H3C(O)CH3
   96286.9445  0.0092 -5.6968 3  212.1048440  5951614042719 8 2    271810 2      C-13-H3C(O)CH3
   96294.6955  0.0023 -5.2667 3    5.5313 88  595161404 5 4 1 1     4 3 2 1      C-13-H3C(O)CH3
   96296.4663  0.0299 -5.2436 3  596.5574744  595161404462917 0    462818 0      C-13-H3C(O)CH3
   96296.6726  0.0025 -6.4179 3    2.2492 72  595161404 4 3 2 0     3 0 3 0      C-13-H3C(O)CH3
   96302.0992  0.0035 -4.8095 3  273.0063504 -595161404312012 2    311913 2      C-13-H3C(O)CH3
   96317.6861  0.0081 -5.1229 3  285.0258260 -595161404321814 3    321715 3      C-13-H3C(O)CH3
   96323.7547  0.0071 -5.1228 3  285.0259260  595161404321814 4    321715 4      C-13-H3C(O)CH3
   96335.5579  0.0061 -5.1123 3  257.7889244  595161404302011 4    301912 4      C-13-H3C(O)CH3
   96340.8761  0.0023 -5.2120 3   61.8324132  59516140416 511 3    16 412 3      C-13-H3C(O)CH3
   96341.0094  0.0029 -5.2120 3   61.8324132  59516140416 511 4    16 412 4      C-13-H3C(O)CH3
   96341.6320  0.0023 -5.2120 3   61.8324132  59516140416 611 3    16 512 3      C-13-H3C(O)CH3
   96341.7379  0.0041 -4.8098 3  257.8086488 -595161404302011 1    301912 1      C-13-H3C(O)CH3
   96341.7559  0.0029 -5.2120 3   61.8324132  59516140416 611 4    16 512 4      C-13-H3C(O)CH3
   96345.0550  0.0051 -4.9681 3  124.8049328  5951614042017 3 2    2016 4 2      C-13-H3C(O)CH3
   96360.7612  0.0046 -5.1097 3  257.7891244  595161404302011 3    301912 3      C-13-H3C(O)CH3
   96366.6706  0.0062 -4.8215 3  285.0510520 -595161404321814 1    321715 1      C-13-H3C(O)CH3
   96377.0042  0.0097 -5.5704 3  212.1021440  5951614042719 8 1    271810 1      C-13-H3C(O)CH3
   96377.1390  0.0081 -6.1510 3    6.3236 88 -595161404 5 5 1 1     4 4 0 1      C-13-H3C(O)CH3
   96386.3665  0.0149 -5.7298 3  198.9891424  5951614042619 8 1    2618 8 1      C-13-H3C(O)CH3
   96407.5948  0.0169 -6.1720 3  171.0847392  5951614042418 6 1    2417 8 1      C-13-H3C(O)CH3
   96445.0223  0.0573 -5.7919 3  757.9504420  595161404523220 3    523121 3      C-13-H3C(O)CH3
   96468.9928  0.0025 -4.9092 3   61.7866264 -59516140416 511 2    16 412 2      C-13-H3C(O)CH3
   96469.7886  0.0025 -4.9092 3   61.7866264 -59516140416 611 2    16 512 2      C-13-H3C(O)CH3
   96476.4670  0.0025 -4.9094 3   61.7874264 -59516140416 511 1    16 412 1      C-13-H3C(O)CH3
   96477.2316  0.0025 -4.9094 3   61.7875264 -59516140416 611 1    16 512 1      C-13-H3C(O)CH3
   96480.6946  0.0648 -5.7919 3  757.9510420  595161404523220 4    523121 4      C-13-H3C(O)CH3
   96480.8563  0.0153 -7.7702 3  454.4680648  595161404402615 1    402515 1      C-13-H3C(O)CH3
   96487.1966  0.0028 -5.6222 3    5.6001 44  595161404 5 4 1 4     4 3 2 4      C-13-H3C(O)CH3
   96502.2931  0.0034 -4.8062 3  257.8257488 -595161404302011 0    301912 0      C-13-H3C(O)CH3
   96509.6223  0.0057 -4.9668 3  124.7819328  5951614042017 3 0    2016 4 0      C-13-H3C(O)CH3
   96511.4225  0.0037 -4.8063 3  257.8062488 -595161404302011 2    301912 2      C-13-H3C(O)CH3
   96515.9774  0.0101 -6.0791 3    6.3227 88 -595161404 5 5 1 2     4 4 0 2      C-13-H3C(O)CH3
   96522.5969  0.0057 -4.9666 3  124.7814328  5951614042017 4 0    2016 5 0      C-13-H3C(O)CH3
   96528.3086  0.0053 -7.8709 3  177.7538408  5951614042516 9 1    251511 1      C-13-H3C(O)CH3
   96566.7802  0.0131 -7.5264 3   71.0455264  59516140416 9 7 1    1512 4 1      C-13-H3C(O)CH3
   96577.3288  0.0059 -7.7568 3  177.7467204  5951614042516 9 4    251511 4      C-13-H3C(O)CH3
   96604.3049  0.0024 -4.9076 3   61.7418264 -59516140416 511 0    16 412 0      C-13-H3C(O)CH3
   96605.1001  0.0024 -4.9076 3   61.7418264 -59516140416 611 0    16 512 0      C-13-H3C(O)CH3
   96610.6394  0.0269 -5.2416 3  596.5369744  595161404462917 1    462818 1      C-13-H3C(O)CH3
   96616.3626  0.0195 -7.3059 3  159.5341376  5951614042318 6 2    2317 6 2      C-13-H3C(O)CH3
   96712.4849  0.0170 -5.8148 3  212.0847220  5951614042719 8 4    271810 4      C-13-H3C(O)CH3
   96760.0082  0.0102 -7.3858 3   61.7444124  59516140415 8 7 3    1411 4 3      C-13-H3C(O)CH3
   96777.7454  0.0227 -7.1493 3  454.4403324  595161404402615 4    402515 4      C-13-H3C(O)CH3
   96808.3108  0.0229 -7.1771 3  454.4585648  595161404402615 2    402515 2      C-13-H3C(O)CH3
   96858.7014  0.0151 -5.5534 3  198.9879424  5951614042619 8 2    2618 8 2      C-13-H3C(O)CH3
   96873.7785  0.0513 -5.2402 3  596.5250744  595161404462917 2    462818 2      C-13-H3C(O)CH3
   96878.2175  0.0025 -5.2774 3   52.1819124  59516140415 411 3    15 312 3      C-13-H3C(O)CH3
   96878.3350  0.0031 -5.2774 3   52.1819124  59516140415 411 4    15 312 4      C-13-H3C(O)CH3
   96878.3645  0.0025 -5.2774 3   52.1819124  59516140415 511 3    15 412 3      C-13-H3C(O)CH3
   96878.4800  0.0031 -5.2774 3   52.1819124  59516140415 511 4    15 412 4      C-13-H3C(O)CH3
   96893.1160  0.0023 -5.0393 3  156.7658196  595161404241212 3    241113 3      C-13-H3C(O)CH3
   96893.7237  0.0022 -4.7379 3  156.7628392 -595161404241212 2    241113 2      C-13-H3C(O)CH3
   96895.5662  0.0030 -5.0393 3  156.7658196  595161404241212 4    241113 4      C-13-H3C(O)CH3
   96918.6072  0.0170 -5.8612 3  198.9685212  5951614042619 8 3    2618 8 3      C-13-H3C(O)CH3
   96938.8853  0.0020 -4.7373 3  156.7631392 -595161404241212 0    241113 0      C-13-H3C(O)CH3
   96939.1463  0.0021 -4.7377 3  156.7661392 -595161404241212 1    241113 1      C-13-H3C(O)CH3
   96976.6365  0.0117 -7.2663 3   61.6953248  59516140415 8 7 2    1411 4 2      C-13-H3C(O)CH3
   97021.3872  0.0028 -4.9745 3   52.1293248  59516140415 411 2    15 312 2      C-13-H3C(O)CH3
   97021.5410  0.0028 -4.9745 3   52.1293248  59516140415 511 2    15 412 2      C-13-H3C(O)CH3
   97026.6750  0.0028 -4.9747 3   52.1300248  59516140415 411 1    15 312 1      C-13-H3C(O)CH3
   97026.8232  0.0028 -4.9747 3   52.1300248  59516140415 511 1    15 412 1      C-13-H3C(O)CH3
   97118.8180  0.0068 -7.9214 3  168.4333204  595161404251313 4    2416 8 4      C-13-H3C(O)CH3
   97145.8652  0.0485 -5.5389 3  596.5042372  595161404462917 3    462818 3      C-13-H3C(O)CH3
   97169.5318  0.0027 -4.9727 3   52.0775248  59516140415 411 0    15 312 0      C-13-H3C(O)CH3
   97169.6877  0.0027 -4.9727 3   52.0775248  59516140415 511 0    15 412 0      C-13-H3C(O)CH3
   97178.0488  0.0091 -6.9619 3   27.7376 84  59516140410 7 4 4     9 8 1 4      C-13-H3C(O)CH3
   97226.7557  0.0525 -5.5398 3  596.5050372  595161404462917 4    462818 4      C-13-H3C(O)CH3
   97241.6982  0.0065 -7.5982 3  168.4302408  595161404251313 2    2416 8 2      C-13-H3C(O)CH3
   97242.9874  0.0066 -7.6046 3  168.4340408  595161404251313 1    2416 8 1      C-13-H3C(O)CH3
   97268.0689  0.0061 -7.5908 3  168.4342408  595161404251313 0    2416 8 0      C-13-H3C(O)CH3
   97282.4665  0.0059 -5.3036 3    6.3788 44 -595161404 5 5 1 3     4 4 0 3      C-13-H3C(O)CH3
   97314.1691  0.0027 -5.3715 3   43.1239116  59516140414 311 3    14 212 3      C-13-H3C(O)CH3
   97314.1926  0.0027 -5.3715 3   43.1239116  59516140414 411 3    14 312 3      C-13-H3C(O)CH3
   97314.2888  0.0033 -5.3714 3   43.1239116  59516140414 311 4    14 212 4      C-13-H3C(O)CH3
   97314.3120  0.0033 -5.3714 3   43.1239116  59516140414 411 4    14 312 4      C-13-H3C(O)CH3
   97317.7653  0.0095 -5.2012 3  198.9685212  5951614042619 7 3    2618 8 3      C-13-H3C(O)CH3
   97321.3306  0.0070 -7.9032 3  168.4265204  595161404251313 3    2416 8 3      C-13-H3C(O)CH3
   97380.0079  0.0108 -7.2628 3   61.6870248  59516140415 8 7 1    1411 4 1      C-13-H3C(O)CH3
   97386.4970  0.0016 -5.2269 3    6.3321 44  595161404 5 5 1 4     4 4 1 4      C-13-H3C(O)CH3
   97403.7668  0.0259 -6.8810 3  171.0570196  5951614042418 6 4    2417 8 4      C-13-H3C(O)CH3
   97413.6268  0.0046 -7.8010 3    9.1297104  595161404 6 5 2 1     6 2 5 1      C-13-H3C(O)CH3
   97414.9684  0.0251 -6.5257 3  159.5003188  5951614042318 6 3    2317 6 3      C-13-H3C(O)CH3
   97423.0712  0.0113 -7.7022 3  145.4397376  595161404231311 2    2216 6 2      C-13-H3C(O)CH3
   97471.4935  0.0032 -5.0684 3   43.0644232  59516140414 311 2    14 212 2      C-13-H3C(O)CH3
   97471.5182  0.0032 -5.0684 3   43.0644232  59516140414 411 2    14 312 2      C-13-H3C(O)CH3
   97474.9323  0.0032 -5.0686 3   43.0650232  59516140414 311 1    14 212 1      C-13-H3C(O)CH3
   97474.9561  0.0032 -5.0686 3   43.0650232  59516140414 411 1    14 312 1      C-13-H3C(O)CH3
   97494.8970  0.0054 -7.7931 3    9.1291104  595161404 6 5 2 2     6 2 5 2      C-13-H3C(O)CH3
   97501.1622  0.0031 -5.9611 3    6.3788 44  595161404 5 5 0 3     4 4 0 3      C-13-H3C(O)CH3
   97536.2706  0.0113 -7.7214 3  145.4401376  595161404231311 1    2216 6 1      C-13-H3C(O)CH3
   97580.9272  0.0071 -6.8775 3   41.7493100  59516140412 9 4 4    12 6 6 4      C-13-H3C(O)CH3
   97581.3262  0.0024 -4.9131 3    6.2425 88 -595161404 5 5 1 0     4 4 0 0      C-13-H3C(O)CH3
   97619.6264  0.0043 -4.8118 3  198.9980424  5951614042619 7 0    2618 8 0      C-13-H3C(O)CH3
   97631.9182  0.0032 -5.0665 3   43.0057232  59516140414 311 0    14 212 0      C-13-H3C(O)CH3
   97631.9432  0.0032 -5.0665 3   43.0057232  59516140414 411 0    14 312 0      C-13-H3C(O)CH3
   97647.8412  0.0026 -5.0330 3  156.7686196  595161404241312 4    241213 4      C-13-H3C(O)CH3
   97648.4488  0.0020 -5.0330 3  156.7685196  595161404241312 3    241213 3      C-13-H3C(O)CH3
   97652.8536  0.0023 -4.9415 3    6.2811 88 -595161404 5 5 1 1     4 4 1 1      C-13-H3C(O)CH3
   97655.6489  0.0055 -5.1741 3  159.5003188 -5951614042318 5 3    2317 6 3      C-13-H3C(O)CH3
   97664.4817  0.0029 -5.5170 3   34.6605108  59516140413 211 3    13 112 3      C-13-H3C(O)CH3
   97664.4846  0.0029 -5.5170 3   34.6605108  59516140413 311 3    13 212 3      C-13-H3C(O)CH3
   97664.6165  0.0035 -5.5170 3   34.6605108  59516140413 211 4    13 112 4      C-13-H3C(O)CH3
   97664.6194  0.0035 -5.5170 3   34.6605108  59516140413 311 4    13 212 4      C-13-H3C(O)CH3
   97669.5652  0.0020 -4.7314 3  156.7656392 -595161404241312 2    241213 2      C-13-H3C(O)CH3
   97671.7587  0.0056 -5.1549 3  159.4433188  5951614042318 6 4    2317 7 4      C-13-H3C(O)CH3
   97682.6573  0.0053 -4.8682 3  198.9891424 -5951614042619 7 1    2618 8 1      C-13-H3C(O)CH3
   97689.2530  0.0026 -4.9459 3    6.2835 88 -595161404 5 5 1 2     4 4 1 2      C-13-H3C(O)CH3
   97695.3164  0.0019 -4.7314 3  156.7689392 -595161404241312 1    241213 1      C-13-H3C(O)CH3
   97705.6461  0.0066 -5.3576 3  115.2461156  5951614041917 2 3    1916 3 3      C-13-H3C(O)CH3
   97716.6665  0.0019 -4.7308 3  156.7659392 -595161404241312 0    241213 0      C-13-H3C(O)CH3
   97717.3141  0.0072 -5.1418 3  198.9855212  5951614042619 7 4    2618 8 4      C-13-H3C(O)CH3
   97732.8593  0.0068 -5.3570 3  115.1742156  5951614041917 3 4    1916 4 4      C-13-H3C(O)CH3
   97745.5100  0.0070 -7.4994 3  145.4277376  595161404231311 0    2216 6 0      C-13-H3C(O)CH3
   97761.8545  0.0033 -5.9604 3    6.3628 44  595161404 5 5 1 3     4 4 1 3      C-13-H3C(O)CH3
   97786.1952  0.0066 -4.8986 3  198.9879424 -5951614042619 7 2    2618 8 2      C-13-H3C(O)CH3
   97793.7431  0.0066 -5.1549 3  159.5442188  5951614042318 5 4    2317 6 4      C-13-H3C(O)CH3
   97802.2063  0.0077 -5.3574 3  115.3131156  5951614041917 2 4    1916 3 4      C-13-H3C(O)CH3
   97806.5553  0.0055 -5.1731 3  159.4873188  5951614042318 6 3    2317 7 3      C-13-H3C(O)CH3
   97824.0210  0.0082 -4.8736 3  341.5353568 -595161404352015 2    351916 2      C-13-H3C(O)CH3
   97828.2292  0.0068 -5.3569 3  115.2410156  5951614041917 3 3    1916 4 3      C-13-H3C(O)CH3
   97835.0631  0.0037 -5.2138 3   34.5942216  59516140413 211 2    13 112 2      C-13-H3C(O)CH3
   97835.0661  0.0037 -5.2138 3   34.5942216  59516140413 311 2    13 212 2      C-13-H3C(O)CH3
   97836.9363  0.0036 -5.2140 3   34.5947216  59516140413 211 1    13 112 1      C-13-H3C(O)CH3
   97836.9393  0.0036 -5.2140 3   34.5947216  59516140413 311 1    13 212 1      C-13-H3C(O)CH3
   97852.3851  0.0021 -4.9383 3    6.3236 88 -595161404 5 5 0 1     4 4 0 1      C-13-H3C(O)CH3
   97860.9061  0.0022 -4.9429 3    6.3227 88 -595161404 5 5 0 2     4 4 0 2      C-13-H3C(O)CH3
   97876.9859  0.0015 -5.2204 3    6.4095 44  595161404 5 5 0 4     4 4 0 4      C-13-H3C(O)CH3
   97910.5303  0.0045 -4.8532 3  159.4763376 -5951614042318 6 1    2317 7 1      C-13-H3C(O)CH3
   97910.9244  0.0103 -5.1740 3  341.5141284  595161404352015 3    351916 3      C-13-H3C(O)CH3
   97913.0747  0.0047 -4.8535 3  159.5326376 -5951614042318 5 1    2317 6 1      C-13-H3C(O)CH3
   97913.4002  0.0061 -4.8731 3  341.5648568 -595161404352015 0    351916 0      C-13-H3C(O)CH3
   97915.9566  0.0093 -5.1740 3  341.5142284  595161404352015 4    351916 4      C-13-H3C(O)CH3
   97934.1185  0.0044 -7.7425 3    9.0580104  595161404 6 5 2 0     6 2 5 0      C-13-H3C(O)CH3
   97942.4748  0.0032 -5.7873 3   26.7938100  59516140412 111 3    12 012 3      C-13-H3C(O)CH3
   97942.4751  0.0032 -5.7873 3   26.7938100  59516140412 211 3    12 112 3      C-13-H3C(O)CH3
   97942.6349  0.0038 -5.7873 3   26.7938100  59516140412 111 4    12 012 4      C-13-H3C(O)CH3
   97942.6352  0.0038 -5.7873 3   26.7938100  59516140412 211 4    12 112 4      C-13-H3C(O)CH3
   97957.6284  0.0046 -4.8535 3  159.4893376 -5951614042318 6 2    2317 7 2      C-13-H3C(O)CH3
   97977.9661  0.0064 -5.1387 3  198.9028212  5951614042619 8 4    2618 9 4      C-13-H3C(O)CH3
   97980.5743  0.0056 -5.3009 3    6.3628 44  595161404 5 5 0 3     4 4 1 3      C-13-H3C(O)CH3
   98000.2994  0.0078 -4.8725 3  341.5436568 -595161404352015 1    351916 1      C-13-H3C(O)CH3
   98002.8256  0.0061 -5.0548 3  115.2880312  5951614041917 2 1    1916 3 1      C-13-H3C(O)CH3
   98007.1503  0.0036 -5.2118 3   34.5284216  59516140413 211 0    13 112 0      C-13-H3C(O)CH3
   98007.1534  0.0036 -5.2118 3   34.5284216  59516140413 311 0    13 212 0      C-13-H3C(O)CH3
   98019.1472  0.0062 -5.0544 3  115.2293312  5951614041917 3 2    1916 4 2      C-13-H3C(O)CH3
   98020.6661  0.0162 -7.8138 3   71.0309132  59516140416 9 7 4    1512 4 4      C-13-H3C(O)CH3
   98027.5489  0.0063 -5.0543 3  115.2160312  5951614041917 3 1    1916 4 1      C-13-H3C(O)CH3
   98047.2061  0.0248 -6.5200 3  159.4873188  5951614042318 5 3    2317 7 3      C-13-H3C(O)CH3
   98061.2406  0.0220 -5.1608 3  547.0343712  595161404442816 0    442717 0      C-13-H3C(O)CH3
   98066.7816  0.0044 -4.8532 3  159.5341376 -5951614042318 5 2    2317 6 2      C-13-H3C(O)CH3
   98094.7278  0.0063 -7.8037 3   59.9239124  59516140415 7 8 4    1410 4 4      C-13-H3C(O)CH3
   98106.9283  0.0036 -7.0610 3    3.0596 36  595161404 4 4 1 4     3 1 2 4      C-13-H3C(O)CH3
   98112.6523  0.0048 -4.8512 3  159.5251376  5951614042318 5 0    2317 6 0      C-13-H3C(O)CH3
   98116.9932  0.0057 -5.0542 3  115.2961312  5951614041917 2 2    1916 3 2      C-13-H3C(O)CH3
   98125.3981  0.0041 -5.4840 3   26.7206200  59516140412 111 2    12 012 2      C-13-H3C(O)CH3
   98125.3984  0.0041 -5.4840 3   26.7206200  59516140412 211 2    12 112 2      C-13-H3C(O)CH3
   98125.9504  0.0041 -5.4843 3   26.7211200  59516140412 111 1    12 012 1      C-13-H3C(O)CH3
   98125.9507  0.0041 -5.4843 3   26.7211200  59516140412 211 1    12 112 1      C-13-H3C(O)CH3
   98151.4329  0.0602 -5.5759 3  816.0671872  595161404543321 0    543222 0      C-13-H3C(O)CH3
   98202.0691  0.0075 -6.5255 3   27.6587168  59516140410 7 4 1     9 8 1 1      C-13-H3C(O)CH3
   98209.8987  0.0023 -4.9107 3    6.2272 88 -595161404 5 5 0 0     4 4 1 0      C-13-H3C(O)CH3
   98213.7514  0.0076 -6.5101 3   27.6592168  59516140410 7 4 2     9 8 1 2      C-13-H3C(O)CH3
   98242.6363  0.0050 -4.8631 3  198.9272424 -5951614042619 8 1    2618 9 1      C-13-H3C(O)CH3
   98258.3820  0.0300 -5.5560 3  617.3595380  595161404472819 3    472720 3      C-13-H3C(O)CH3
   98265.7931  0.0282 -5.5560 3  617.3597380  595161404472819 4    472720 4      C-13-H3C(O)CH3
   98270.6686  0.0047 -4.8499 3  159.5194376 -5951614042318 6 0    2317 7 0      C-13-H3C(O)CH3
   98303.9633  0.0031 -4.7845 3  269.7318504 -595161404311913 1    311814 1      C-13-H3C(O)CH3
   98308.4708  0.0042 -5.4819 3   26.6480200 -59516140412 111 0    12 012 0      C-13-H3C(O)CH3
   98308.4708  0.0042 -5.4819 3   26.6480200 -59516140412 211 0    12 112 0      C-13-H3C(O)CH3
   98311.5637  0.0209 -5.1594 3  547.0147712  595161404442816 1    442717 1      C-13-H3C(O)CH3
   98315.3705  0.0032 -4.7843 3  269.7485504 -595161404311913 0    311814 0      C-13-H3C(O)CH3
   98315.7116  0.0064 -5.0527 3  115.2710312  5951614041917 2 0    1916 3 0      C-13-H3C(O)CH3
   98317.4426  0.0064 -5.0527 3  115.2710312  5951614041917 3 0    1916 4 0      C-13-H3C(O)CH3
   98322.6500  0.0011 -5.1368 3   13.4200 68 -595161404 8 2 6 3     7 3 5 3      C-13-H3C(O)CH3
   98324.0116  0.0011 -5.1368 3   13.4200 68 -595161404 8 2 6 4     7 3 5 4      C-13-H3C(O)CH3
   98327.5294  0.0028 -5.0853 3  269.7093252  595161404311913 4    311814 4      C-13-H3C(O)CH3
   98329.4131  0.0030 -5.0853 3  269.7093252  595161404311913 3    311814 3      C-13-H3C(O)CH3
   98341.2644  0.0031 -4.7841 3  269.7260504 -595161404311913 2    311814 2      C-13-H3C(O)CH3
   98350.4132  0.0275 -5.2547 3  617.3798760  595161404472819 2    472720 2      C-13-H3C(O)CH3
   98359.2472  0.0109 -5.1537 3  243.0730236  595161404292010 4    291911 4      C-13-H3C(O)CH3
   98360.4400  0.0013 -4.8357 3   13.3517136 -595161404 8 2 6 2     7 3 5 2      C-13-H3C(O)CH3
   98361.1277  0.0013 -4.8355 3   13.3523136 -595161404 8 2 6 1     7 3 5 1      C-13-H3C(O)CH3
   98370.5020  0.0106 -7.8563 3  145.4136188  595161404231311 3    2216 6 3      C-13-H3C(O)CH3
   98371.6777  0.0095 -5.1924 3  198.9200212  5951614042619 8 3    2618 9 3      C-13-H3C(O)CH3
   98377.7153  0.0525 -5.5743 3  816.0460872  595161404543321 1    543222 1      C-13-H3C(O)CH3
   98398.1593  0.0013 -4.8354 3   13.2841136 -595161404 8 2 6 0     7 3 5 0      C-13-H3C(O)CH3
   98402.7579  0.0646 -5.5741 3  816.0409872  595161404543321 2    543222 2      C-13-H3C(O)CH3
   98421.2426  0.0065 -4.8928 3  198.9358424 -5951614042619 8 2    2618 9 2      C-13-H3C(O)CH3
   98430.2684  0.0063 -7.3868 3  302.1397568  595161404351223 0    341520 0      C-13-H3C(O)CH3
   98430.3540  0.0063 -7.3868 3  302.1397568  595161404351323 0    341420 0      C-13-H3C(O)CH3
   98443.0154  0.0074 -7.3897 3  302.1170568  595161404351223 1    341520 1      C-13-H3C(O)CH3
   98443.1017  0.0074 -7.3897 3  302.1170568  595161404351323 1    341420 1      C-13-H3C(O)CH3
   98453.3376  0.0164 -5.2543 3  617.3890760  595161404472819 1    472720 1      C-13-H3C(O)CH3
   98468.9818  0.0073 -7.3870 3  302.1145568  595161404351223 2    341520 2      C-13-H3C(O)CH3
   98469.0729  0.0073 -7.3870 3  302.1145568  595161404351323 2    341420 2      C-13-H3C(O)CH3
   98481.7169  0.0070 -7.6909 3  302.0918284  595161404351223 3    341520 3      C-13-H3C(O)CH3
   98481.8088  0.0070 -7.6909 3  302.0917284  595161404351323 3    341420 3      C-13-H3C(O)CH3
   98481.8308  0.0072 -7.6909 3  302.0917284  595161404351223 4    341520 4      C-13-H3C(O)CH3
   98481.9222  0.0072 -7.6909 3  302.0917284  595161404351323 4    341420 4      C-13-H3C(O)CH3
   98484.9774  0.0238 -5.4395 3  540.9468356  595161404442618 3    442519 3      C-13-H3C(O)CH3
   98489.6486  0.0231 -5.4395 3  540.9470356  595161404442618 4    442519 4      C-13-H3C(O)CH3
   98499.3083  0.0060 -4.8316 3  243.0917472 -595161404292010 1    291911 1      C-13-H3C(O)CH3
   98508.0456  0.0011 -5.1347 3   13.4148 68 -595161404 8 3 6 4     7 2 5 4      C-13-H3C(O)CH3
   98509.4343  0.0011 -5.1347 3   13.4148 68 -595161404 8 3 6 3     7 2 5 3      C-13-H3C(O)CH3
   98512.0592  0.0045 -7.9276 3   59.8699248  59516140415 7 8 2    1410 4 2      C-13-H3C(O)CH3
   98524.0418  0.0313 -5.6819 3  698.7132404  595161404503020 3    502921 3      C-13-H3C(O)CH3
   98530.5939  0.0044 -7.8389 3   59.8719248  59516140415 7 8 1    1410 4 1      C-13-H3C(O)CH3
   98535.6225  0.0291 -5.6819 3  698.7135404  595161404503020 4    502921 4      C-13-H3C(O)CH3
   98546.0993  0.0157 -5.2540 3  617.4091760  595161404472819 0    472720 0      C-13-H3C(O)CH3
   98549.0282  0.0096 -7.6472 3  430.7335680  595161404421428 1    411725 1      C-13-H3C(O)CH3
   98549.0286  0.0096 -7.6471 3  430.7335680  595161404421528 1    411625 1      C-13-H3C(O)CH3
   98549.6766  0.0013 -4.8334 3   13.3470136 -595161404 8 3 6 1     7 2 5 1      C-13-H3C(O)CH3
   98550.5591  0.0222 -5.1383 3  540.9681712  595161404442618 2    442519 2      C-13-H3C(O)CH3
   98551.6813  0.0066 -5.1113 3  243.0742236  595161404292010 3    291911 3      C-13-H3C(O)CH3
   98551.7845  0.0013 -4.8336 3   13.3463136 -595161404 8 3 6 2     7 2 5 2      C-13-H3C(O)CH3
   98564.2056  0.0097 -7.6448 3  430.7317680  595161404421428 2    411725 2      C-13-H3C(O)CH3
   98564.2061  0.0097 -7.6448 3  430.7317680  595161404421528 2    411625 2      C-13-H3C(O)CH3
   98581.6985  0.0082 -7.6455 3  430.7606680  595161404421428 0    411725 0      C-13-H3C(O)CH3
   98581.6989  0.0082 -7.6455 3  430.7606680  595161404421528 0    411625 0      C-13-H3C(O)CH3
   98592.7067  0.0013 -4.8333 3   13.2787136 -595161404 8 3 6 0     7 2 5 0      C-13-H3C(O)CH3
   98596.0357  0.0033 -4.7466 3  216.3732456 -595161404281513 2    281414 2      C-13-H3C(O)CH3
   98597.9233  0.0287 -5.3808 3  698.7329808  595161404503020 2    502921 2      C-13-H3C(O)CH3
   98604.8260  0.0229 -5.8939 3  228.9764228  5951614042820 9 4    2819 9 4      C-13-H3C(O)CH3
   98616.5424  0.0115 -4.9450 3  403.0300616  595161404382216 2    382117 2      C-13-H3C(O)CH3
   98621.6101  0.0028 -4.7463 3  216.3884456 -595161404281513 0    281414 0      C-13-H3C(O)CH3
   98623.2609  0.0405 -5.1580 3  547.0029712  595161404442816 2    442717 2      C-13-H3C(O)CH3
   98624.6730  0.0466 -5.8734 3  816.0195436  595161404543321 3    543222 3      C-13-H3C(O)CH3
   98627.5150  0.0068 -6.7835 3   41.6994200  59516140412 9 4 1    12 6 6 1      C-13-H3C(O)CH3
   98629.1723  0.0082 -6.5543 3   21.9933 76  595161404 9 6 3 4     8 7 1 4      C-13-H3C(O)CH3
   98651.1968  0.0546 -5.8734 3  816.0200436  595161404543321 4    543222 4      C-13-H3C(O)CH3
   98654.9549  0.0229 -5.3806 3  698.7407808  595161404503020 1    502921 1      C-13-H3C(O)CH3
   98658.4063  0.0042 -5.0474 3  216.3629228  595161404281513 3    281414 3      C-13-H3C(O)CH3
   98660.3206  0.0131 -5.2456 3  403.0076308  595161404382216 3    382117 3      C-13-H3C(O)CH3
   98663.2446  0.0043 -5.0474 3  216.3630228  595161404281513 4    281414 4      C-13-H3C(O)CH3
   98664.3043  0.0127 -5.2456 3  403.0077308  595161404382216 4    382117 4      C-13-H3C(O)CH3
   98685.1729  0.0034 -4.7461 3  216.3782456  595161404281513 1    281414 1      C-13-H3C(O)CH3
   98695.8021  0.0117 -5.1375 3  540.9779712  595161404442618 1    442519 1      C-13-H3C(O)CH3
   98697.4675  0.0127 -7.5622 3   61.6808124  59516140415 8 7 4    1411 4 4      C-13-H3C(O)CH3
   98729.7603  0.0216 -5.3805 3  698.7602808  595161404503020 0    502921 0      C-13-H3C(O)CH3
   98749.3913  0.0064 -6.6479 3   35.9313184  59516140411 9 3 0    1010 0 0      C-13-H3C(O)CH3
   98750.5222  0.0049 -4.8047 3  243.0925472 -595161404292010 2    291911 2      C-13-H3C(O)CH3
   98751.2897  0.0175 -5.3351 3  469.4907332  595161404412417 3    412318 3      C-13-H3C(O)CH3
   98754.9385  0.0174 -5.3350 3  469.4908332  595161404412417 4    412318 4      C-13-H3C(O)CH3
   98757.1202  0.0076 -4.9443 3  403.0615616  595161404382216 0    382117 0      C-13-H3C(O)CH3
   98761.9331  0.0116 -5.1374 3  540.9990712  595161404442618 0    442519 0      C-13-H3C(O)CH3
   98764.3924  0.0162 -5.0341 3  469.5129664  595161404412417 2    412318 2      C-13-H3C(O)CH3
   98770.8358  0.0165 -5.8453 3  198.9200212  5951614042619 7 3    2618 9 3      C-13-H3C(O)CH3
   98774.0307  0.0047 -7.1540 3  195.9160456  595161404281018 0    271315 0      C-13-H3C(O)CH3
   98788.6257  0.0029 -4.7646 3  251.4072488 -595161404301813 0    301714 0      C-13-H3C(O)CH3
   98788.9467  0.0028 -4.7648 3  251.3921488 -595161404301813 1    301714 1      C-13-H3C(O)CH3
   98788.9776  0.0047 -7.1538 3  195.9155456  595161404281118 0    271215 0      C-13-H3C(O)CH3
   98796.6807  0.0027 -5.0658 3  251.3715244  595161404301813 4    301714 4      C-13-H3C(O)CH3
   98798.4878  0.0028 -4.7646 3  251.3866488 -595161404301813 2    301714 2      C-13-H3C(O)CH3
   98799.0855  0.0027 -5.0658 3  251.3716244  595161404301813 3    301714 3      C-13-H3C(O)CH3
   98800.5300  0.0090 -4.9439 3  403.0392616 -595161404382216 1    382117 1      C-13-H3C(O)CH3
   98802.8878  0.0047 -6.7223 3    2.9854 72  595161404 4 4 1 1     3 1 2 1      C-13-H3C(O)CH3
   98806.2349  0.0035 -4.7950 3  243.1104472 -595161404292010 0    291911 0      C-13-H3C(O)CH3
   98806.3782  0.0053 -7.1577 3  195.9090456  595161404281018 1    271315 1      C-13-H3C(O)CH3
   98818.1169  0.0039 -4.8016 3  198.9533424 -5951614042619 8 0    2618 9 0      C-13-H3C(O)CH3
   98820.9363  0.0053 -7.1575 3  195.9085456  595161404281118 1    271215 1      C-13-H3C(O)CH3
   98821.0484  0.0398 -5.4567 3  546.9831356  595161404442816 3    442717 3      C-13-H3C(O)CH3
   98845.0319  0.0053 -7.1545 3  195.9058456  595161404281018 2    271315 2      C-13-H3C(O)CH3
   98860.1711  0.0053 -7.1544 3  195.9053456  595161404281118 2    271215 2      C-13-H3C(O)CH3
   98861.0874  0.0079 -6.8371 3   41.6963200  59516140412 9 4 2    12 6 6 2      C-13-H3C(O)CH3
   98877.2981  0.0057 -7.4592 3  195.8989228  595161404281018 4    271315 4      C-13-H3C(O)CH3
   98877.4318  0.0050 -7.4592 3  195.8988228  595161404281018 3    271315 3      C-13-H3C(O)CH3
   98891.9938  0.0057 -7.4591 3  195.8984228  595161404281118 4    271215 4      C-13-H3C(O)CH3
   98892.1957  0.0050 -7.4591 3  195.8983228  595161404281118 3    271215 3      C-13-H3C(O)CH3
   98893.9179  0.0278 -7.5240 3  186.3578204  5951614042519 7 4    2518 7 4      C-13-H3C(O)CH3
   98899.5349  0.0035 -4.8003 3  288.6380520 -595161404322013 1    321914 1      C-13-H3C(O)CH3
   98899.5932  0.0059 -6.7162 3    2.9846 72  595161404 4 4 1 2     3 1 2 2      C-13-H3C(O)CH3
   98900.9625  0.0068 -6.6482 3   36.0033184  59516140411 9 2 2    1010 0 2      C-13-H3C(O)CH3
   98912.0063  0.0020 -5.0297 3  142.4324188 -595161404231112 3    231013 3      C-13-H3C(O)CH3
   98913.3080  0.0028 -5.0297 3  142.4324188 -595161404231112 4    231013 4      C-13-H3C(O)CH3
   98918.9982  0.0429 -5.4586 3  546.9838356  595161404442816 4    442717 4      C-13-H3C(O)CH3
   98925.0494  0.0035 -4.8000 3  288.6561520 -595161404322013 0    321914 0      C-13-H3C(O)CH3
   98938.2592  0.0097 -5.0332 3  469.5226664  595161404412417 1    412318 1      C-13-H3C(O)CH3
   98939.3089  0.0020 -4.7280 3  142.4249376 -595161404231112 2    231013 2      C-13-H3C(O)CH3
   98942.0554  0.0035 -5.1010 3  288.6142260  595161404322013 3    321914 3      C-13-H3C(O)CH3
   98942.0655  0.0033 -5.1010 3  288.6141260  595161404322013 4    321914 4      C-13-H3C(O)CH3
   98951.8195  0.0092 -5.0333 3  469.5447664  595161404412417 0    412318 0      C-13-H3C(O)CH3
   98969.3459  0.0034 -4.7997 3  288.6323520 -595161404322013 2    321914 2      C-13-H3C(O)CH3
   98971.7464  0.0020 -4.7279 3  142.4277376 -595161404231112 1    231013 1      C-13-H3C(O)CH3
   98998.5152  0.0019 -4.7273 3  142.4202376 -595161404231112 0    231013 0      C-13-H3C(O)CH3
   99025.4799  0.0065 -6.6451 3   35.9313184  59516140411 9 2 0    1010 1 0      C-13-H3C(O)CH3
   99034.1546  0.0091 -6.0681 3    6.2835 88  595161404 5 5 0 2     4 4 1 2      C-13-H3C(O)CH3
   99037.1897  0.0088 -6.9452 3   36.0711 92  59516140411 9 2 4    1010 0 4      C-13-H3C(O)CH3
   99037.2612  0.0070 -6.6461 3   35.9990184  59516140411 9 2 1    1010 0 1      C-13-H3C(O)CH3
   99038.7932  0.0031 -6.8751 3    3.0592 36  595161404 4 4 1 3     3 1 2 3      C-13-H3C(O)CH3
   99047.0583  0.0048 -6.1234 3   27.5821168  59516140410 7 4 0     9 8 1 0      C-13-H3C(O)CH3
   99082.3092  0.0030 -7.4822 3  240.0286472  595161404291910 1    291812 1      C-13-H3C(O)CH3
   99082.7138  0.0126 -5.5251 3  228.9895456  5951614042820 9 1    2819 9 1      C-13-H3C(O)CH3
   99106.2988  0.0033 -7.5217 3  240.0105236  595161404291910 4    291812 4      C-13-H3C(O)CH3
   99127.9328  0.0078 -6.1389 3    6.2811 88  595161404 5 5 0 1     4 4 1 1      C-13-H3C(O)CH3
   99133.6935  0.0152 -7.6310 3   35.9950 92  59516140411 9 3 3    1010 0 3      C-13-H3C(O)CH3
   99165.0405  0.0074 -5.4976 3  106.2539148  5951614041817 2 3    1816 2 3      C-13-H3C(O)CH3
   99180.6969  0.0074 -6.3241 3   21.9112152  595161404 9 6 3 2     8 7 1 2      C-13-H3C(O)CH3
   99202.0930  0.0026 -5.0273 3  142.4333188  595161404231212 4    231113 4      C-13-H3C(O)CH3
   99202.2253  0.0019 -5.0273 3  142.4333188  595161404231212 3    231113 3      C-13-H3C(O)CH3
   99211.9558  0.0076 -5.4969 3  106.1787148  5951614041817 2 4    1816 3 4      C-13-H3C(O)CH3
   99234.3552  0.0073 -6.3116 3   21.9117152  595161404 9 6 3 1     8 7 1 1      C-13-H3C(O)CH3
   99238.2982  0.0019 -4.7255 3  142.4258376 -595161404231212 2    231113 2      C-13-H3C(O)CH3
   99245.8274  0.0083 -5.4976 3  106.3265148  5951614041817 1 4    1816 2 4      C-13-H3C(O)CH3
   99262.4487  0.0019 -4.7255 3  142.4286376 -595161404231212 1    231113 1      C-13-H3C(O)CH3
   99263.8748  0.0063 -6.6446 3   35.9274184  59516140411 9 3 2    1010 1 2      C-13-H3C(O)CH3
   99282.3811  0.0041 -7.3760 3   16.6997 68  595161404 8 5 3 3     8 2 6 3      C-13-H3C(O)CH3
   99282.4817  0.0091 -7.0427 3   35.9901 92  59516140411 9 3 3    1010 1 3      C-13-H3C(O)CH3
   99292.1018  0.0077 -5.4969 3  106.2512148  5951614041817 1 3    1816 3 3      C-13-H3C(O)CH3
   99298.5348  0.0019 -4.7248 3  142.4212376 -595161404231212 0    231113 0      C-13-H3C(O)CH3
   99339.4460  0.0079 -6.5627 3   27.6755 84  59516140410 7 4 3     9 8 1 3      C-13-H3C(O)CH3
   99339.8716  0.0066 -6.6437 3   35.9181184  59516140411 9 3 1    1010 1 1      C-13-H3C(O)CH3
   99340.6135  0.0051 -7.3766 3   16.6997 68  595161404 8 5 3 4     8 2 6 4      C-13-H3C(O)CH3
   99341.9490  0.0153 -5.9444 3  228.9704228  5951614042820 9 3    2819 9 3      C-13-H3C(O)CH3
   99348.7210  0.0151 -5.5330 3  198.9358424  5951614042619 7 2    2618 9 2      C-13-H3C(O)CH3
   99349.1064  0.0108 -7.8883 3  145.3796376  595161404231311 1    2216 7 1      C-13-H3C(O)CH3
   99363.9463  0.0042 -7.0662 3   16.6326136  595161404 8 5 3 2     8 2 6 2      C-13-H3C(O)CH3
   99408.0656  0.0194 -7.2828 3  159.4893376  5951614042318 5 2    2317 7 2      C-13-H3C(O)CH3
   99413.6586  0.0042 -7.0692 3   16.6333136  595161404 8 5 3 1     8 2 6 1      C-13-H3C(O)CH3
   99418.3148  0.0013 -4.9713 3   14.8707 76 -595161404 9 1 8 4     8 2 7 4      C-13-H3C(O)CH3
   99418.3148  0.0013 -4.9713 3   14.8707 76 -595161404 9 1 8 3     8 2 7 3      C-13-H3C(O)CH3
   99419.0830  0.0013 -4.9712 3   14.8707 76 -595161404 9 2 8 3     8 1 7 3      C-13-H3C(O)CH3
   99419.0830  0.0013 -4.9712 3   14.8707 76 -595161404 9 2 8 4     8 1 7 4      C-13-H3C(O)CH3
   99424.5266  0.0037 -6.5703 3    2.9108 72  595161404 4 4 1 0     3 1 2 0      C-13-H3C(O)CH3
   99441.5947  0.0015 -4.6700 3   14.8010152 -595161404 9 1 8 1     8 2 7 1      C-13-H3C(O)CH3
   99441.7729  0.0014 -4.6700 3   14.8005152 -595161404 9 1 8 2     8 2 7 2      C-13-H3C(O)CH3
   99442.4040  0.0015 -4.6700 3   14.8010152 -595161404 9 2 8 1     8 1 7 1      C-13-H3C(O)CH3
   99442.5826  0.0014 -4.6700 3   14.8005152 -595161404 9 2 8 2     8 1 7 2      C-13-H3C(O)CH3
   99459.6971  0.0124 -7.8181 3  205.8703440  595161404271711 0    2620 6 0      C-13-H3C(O)CH3
   99465.0354  0.0014 -4.6697 3   14.7310152 -595161404 9 1 8 0     8 2 7 0      C-13-H3C(O)CH3
   99465.8721  0.0014 -4.6697 3   14.7309152 -595161404 9 2 8 0     8 1 7 0      C-13-H3C(O)CH3
   99466.7618  0.0040 -7.0602 3   16.5663136  595161404 8 5 3 0     8 2 6 0      C-13-H3C(O)CH3
   99472.7536  0.0069 -5.1949 3  106.3001296  5951614041817 1 1    1816 2 1      C-13-H3C(O)CH3
   99489.7794  0.0082 -7.0400 3   35.9950 92  59516140411 9 2 3    1010 0 3      C-13-H3C(O)CH3
   99491.3129  0.0072 -5.1944 3  106.2378296  5951614041817 2 2    1816 3 2      C-13-H3C(O)CH3
   99517.6662  0.0072 -5.1942 3  106.2249296  5951614041817 2 1    1816 3 1      C-13-H3C(O)CH3
   99533.2534  0.0126 -5.4944 3  228.9890456  5951614042820 9 2    2819 9 2      C-13-H3C(O)CH3
   99538.9825  0.0147 -5.7036 3  198.9272424  5951614042619 7 1    2618 9 1      C-13-H3C(O)CH3
   99546.2039  0.0084 -6.9744 3   27.6686 84  59516140410 7 4 3     9 8 2 3      C-13-H3C(O)CH3
   99573.5210  0.0064 -5.1943 3  106.3104296  5951614041817 1 2    1816 2 2      C-13-H3C(O)CH3
   99600.5206  0.0189 -7.4713 3  159.4763376  5951614042318 5 1    2317 7 1      C-13-H3C(O)CH3
   99638.5677  0.0164 -7.6264 3   35.9901 92  59516140411 9 2 3    1010 1 3      C-13-H3C(O)CH3
   99642.2091  0.0123 -7.7123 3  411.4552616  595161404382514 1    382414 1      C-13-H3C(O)CH3
   99729.7462  0.0073 -6.9389 3   35.9141 92  59516140411 9 3 4    1010 1 4      C-13-H3C(O)CH3
   99739.7585  0.0231 -5.8147 3  784.9948428  595161404533221 3    533122 3      C-13-H3C(O)CH3
   99741.4902  0.0264 -5.5141 3  785.0144856  595161404533221 2    533122 2      C-13-H3C(O)CH3
   99742.0929  0.0077 -6.6001 3  243.0742236  5951614042920 9 3    291911 3      C-13-H3C(O)CH3
   99755.9061  0.0234 -5.8146 3  784.9951428  595161404533221 4    533122 4      C-13-H3C(O)CH3
   99762.6032  0.0319 -5.5140 3  785.0199856  595161404533221 1    533122 1      C-13-H3C(O)CH3
   99765.2540  0.0328 -5.5144 3  785.0392856  595161404533221 0    533122 0      C-13-H3C(O)CH3
   99765.4034  0.0051 -6.4467 3   26.2991 84  59516140410 6 5 4     9 7 2 4      C-13-H3C(O)CH3
   99797.0966  0.0036 -6.9192 3  112.1221344  59516140421 813 0    201110 0      C-13-H3C(O)CH3
   99799.7185  0.0072 -5.1927 3  106.2839296  5951614041817 1 0    1816 2 0      C-13-H3C(O)CH3
   99799.8914  0.0072 -5.1927 3  106.2839296  5951614041817 2 0    1816 3 0      C-13-H3C(O)CH3
   99809.3887  0.0039 -6.9239 3  112.1396344  59516140421 813 1    201110 1      C-13-H3C(O)CH3
   99834.8145  0.0167 -6.9565 3  411.4292308  595161404382514 4    382414 4      C-13-H3C(O)CH3
   99843.2653  0.0101 -5.1709 3  228.9704228  5951614042820 8 3    2819 9 3      C-13-H3C(O)CH3
   99852.7922  0.0039 -6.9206 3  112.1363344  59516140421 813 2    201110 2      C-13-H3C(O)CH3
   99863.7631  0.0039 -7.2264 3  112.1538172  59516140421 813 3    201110 3      C-13-H3C(O)CH3
   99866.2341  0.0048 -7.2263 3  112.1538172  59516140421 813 4    201110 4      C-13-H3C(O)CH3
   99872.4468  0.0048 -6.4622 3  243.0925472  5951614042920 9 2    291911 2      C-13-H3C(O)CH3
   99875.7359  0.0068 -5.9042 3  243.0917472  5951614042920 9 1    291911 1      C-13-H3C(O)CH3
   99932.8568  0.0158 -6.9105 3  411.4476616  595161404382514 2    382414 2      C-13-H3C(O)CH3
   99941.3898  0.0203 -7.6325 3  411.4290308  595161404382514 3    382414 3      C-13-H3C(O)CH3
   99984.9286  0.0062 -5.9895 3   21.8251152  595161404 9 6 3 0     8 7 2 0      C-13-H3C(O)CH3
   99995.5855  0.0123 -6.0145 3  243.0730236  5951614042920 9 4    291911 4      C-13-H3C(O)CH3
  100019.6307  0.0282 -7.7133 3  148.4481180  5951614042218 5 3    2217 5 3      C-13-H3C(O)CH3
  100024.2607  0.0163 -5.0820 3  499.6748680  595161404422715 0    422616 0      C-13-H3C(O)CH3
  100025.5292  0.0026 -4.7431 3  233.6080472 -595161404291713 2    291614 2      C-13-H3C(O)CH3
  100029.3655  0.0026 -4.7430 3  233.6262472 -595161404291713 0    291614 0      C-13-H3C(O)CH3
  100030.5476  0.0027 -5.0443 3  233.5951236  595161404291713 4    291614 4      C-13-H3C(O)CH3
  100032.5851  0.0025 -5.0443 3  233.5951236  595161404291713 3    291614 3      C-13-H3C(O)CH3
  100035.9306  0.0026 -4.7432 3  233.6132472 -595161404291713 1    291614 1      C-13-H3C(O)CH3
  100072.8290  0.0048 -7.1123 3    2.9846 72  595161404 4 4 0 2     3 1 2 2      C-13-H3C(O)CH3
  100078.4417  0.0045 -7.0916 3    2.9854 72  595161404 4 4 0 1     3 1 2 1      C-13-H3C(O)CH3
  100082.9556  0.0028 -7.1690 3   15.9704 68  595161404 8 4 4 4     7 5 2 4      C-13-H3C(O)CH3
  100085.3219  0.0074 -6.3478 3   27.5967168  59516140410 7 4 2     9 8 2 2      C-13-H3C(O)CH3
  100085.5365  0.0044 -4.8002 3  229.0049456  5951614042820 8 0    2819 9 0      C-13-H3C(O)CH3
  100115.1643  0.0041 -4.8084 3  291.9369520 -595161404322112 1    322013 1      C-13-H3C(O)CH3
  100118.8320  0.0181 -6.7620 3  186.3552408  5951614042519 7 1    2518 7 1      C-13-H3C(O)CH3
  100119.0059  0.0040 -7.5474 3  257.7891244  595161404302010 3    301912 3      C-13-H3C(O)CH3
  100120.5790  0.0067 -4.8921 3  228.9895456 -5951614042820 8 1    2819 9 1      C-13-H3C(O)CH3
  100120.5793  0.0030 -7.0195 3  257.8086488  595161404302010 1    301912 1      C-13-H3C(O)CH3
  100126.7013  0.0068 -7.3517 3   21.9393 76  595161404 9 6 3 3     8 7 1 3      C-13-H3C(O)CH3
  100147.3423  0.0040 -7.1306 3  257.7889244  595161404302010 4    301912 4      C-13-H3C(O)CH3
  100157.8182  0.0048 -5.1095 3  291.9145260  595161404322112 3    322013 3      C-13-H3C(O)CH3
  100167.2223  0.0051 -5.1089 3  291.9144260  595161404322112 4    322013 4      C-13-H3C(O)CH3
  100172.2530  0.0087 -4.8987 3  228.9890456 -5951614042820 8 2    2819 9 2      C-13-H3C(O)CH3
  100173.7930  0.0055 -5.1894 3  148.4481180 -5951614042218 4 3    2217 5 3      C-13-H3C(O)CH3
  100189.7402  0.0048 -7.4855 3   15.9008136  595161404 8 4 4 2     7 5 2 2      C-13-H3C(O)CH3
  100191.6508  0.0166 -5.0814 3  499.6560680  595161404422715 1    422616 1      C-13-H3C(O)CH3
  100193.4614  0.0059 -5.1876 3  148.3873180  5951614042218 5 4    2217 6 4      C-13-H3C(O)CH3
  100195.8417  0.0071 -6.9639 3    6.3321 44  595161404 5 5 0 4     4 4 1 4      C-13-H3C(O)CH3
  100196.7301  0.0245 -6.2651 3  198.9028212  5951614042619 7 4    2618 9 4      C-13-H3C(O)CH3
  100210.2293  0.0037 -4.8075 3  291.9559520 -595161404322112 0    322013 0      C-13-H3C(O)CH3
  100215.9570  0.0039 -7.3912 3   15.9021136  595161404 8 4 4 1     7 5 2 1      C-13-H3C(O)CH3
  100220.6220  0.0092 -5.1784 3  228.9764228  5951614042820 8 4    2819 9 4      C-13-H3C(O)CH3
  100255.3631  0.0062 -6.3354 3   27.5902168  59516140410 7 4 1     9 8 2 1      C-13-H3C(O)CH3
  100259.9197  0.0039 -4.8072 3  291.9336520  595161404322112 2    322013 2      C-13-H3C(O)CH3
  100278.9237  0.0069 -5.1879 3  148.4996180  5951614042218 4 4    2217 5 4      C-13-H3C(O)CH3
  100296.4409  0.0056 -5.1887 3  148.4388180  5951614042218 5 3    2217 6 3      C-13-H3C(O)CH3
  100336.2130  0.0096 -7.0340 3   35.8939 92  59516140411 9 3 4    11 6 5 4      C-13-H3C(O)CH3
  100368.8891  0.0083 -5.7648 3   97.7760140  5951614041717 1 3    1716 1 3      C-13-H3C(O)CH3
  100372.4112  0.0041 -6.0553 3   26.2246168  59516140410 6 5 1     9 7 2 1      C-13-H3C(O)CH3
  100383.8885  0.0042 -6.0430 3   26.2234168  59516140410 6 5 2     9 7 2 2      C-13-H3C(O)CH3
  100384.4260  0.0052 -6.3803 3   41.7485100  59516140412 9 3 3    12 6 6 3      C-13-H3C(O)CH3
  100425.7841  0.0040 -7.3087 3    3.0596 36  595161404 4 4 0 4     3 1 2 4      C-13-H3C(O)CH3
  100433.5094  0.0052 -4.8857 3  148.4855360 -5951614042218 4 1    2217 5 1      C-13-H3C(O)CH3
  100433.5395  0.0084 -5.7640 3   97.6981140  5951614041717 1 4    1716 2 4      C-13-H3C(O)CH3
  100434.1532  0.0090 -5.7649 3   97.8538140  5951614041717 0 4    1716 1 4      C-13-H3C(O)CH3
  100439.8267  0.0078 -6.3220 3   21.9289 76  595161404 9 6 3 3     8 7 2 3      C-13-H3C(O)CH3
  100448.9624  0.0051 -4.8852 3  148.4248360 -5951614042218 5 1    2217 6 1      C-13-H3C(O)CH3
  100450.5901  0.0279 -7.7094 3  148.4388180  5951614042218 4 3    2217 6 3      C-13-H3C(O)CH3
  100467.2655  0.0050 -4.8852 3  148.4386360 -5951614042218 5 2    2217 6 2      C-13-H3C(O)CH3
  100481.2318  0.0019 -5.0282 3  128.6706180  595161404221012 3    22 913 3      C-13-H3C(O)CH3
  100481.9202  0.0026 -5.0281 3  128.6706180  595161404221012 4    22 913 4      C-13-H3C(O)CH3
  100495.0079  0.0016 -4.8475 3   15.7746 84 -59516140410 010 3     9 1 9 3      C-13-H3C(O)CH3
  100495.0079  0.0016 -4.8475 3   15.7746 84 -59516140410 110 3     9 0 9 3      C-13-H3C(O)CH3
  100495.0079  0.0016 -4.8475 3   15.7746 84 -59516140410 010 4     9 1 9 4      C-13-H3C(O)CH3
  100495.0079  0.0016 -4.8475 3   15.7746 84 -59516140410 110 4     9 0 9 4      C-13-H3C(O)CH3
  100498.5779  0.0085 -5.7641 3   97.7758140  5951614041717 0 3    1716 2 3      C-13-H3C(O)CH3
  100502.3357  0.0018 -4.5463 3   15.7006168 -59516140410 010 2     9 1 9 2      C-13-H3C(O)CH3
  100502.3357  0.0019 -4.5463 3   15.7011168 -59516140410 110 1     9 0 9 1      C-13-H3C(O)CH3
  100502.3357  0.0018 -4.5463 3   15.7006168 -59516140410 110 2     9 0 9 2      C-13-H3C(O)CH3
  100502.3357  0.0019 -4.5463 3   15.7011168 -59516140410 010 1     9 1 9 1      C-13-H3C(O)CH3
  100509.6490  0.0017 -4.5461 3   15.6273168 -59516140410 110 0     9 0 9 0      C-13-H3C(O)CH3
  100509.6490  0.0017 -4.5461 3   15.6273168 -59516140410 010 0     9 1 9 0      C-13-H3C(O)CH3
  100530.8655  0.0019 -4.7263 3  128.6581360 -595161404221012 2    22 913 2      C-13-H3C(O)CH3
  100535.5107  0.0308 -5.0804 3  499.6450680  595161404422715 2    422616 2      C-13-H3C(O)CH3
  100555.1514  0.0019 -4.7263 3  128.6604360 -595161404221012 1    22 913 1      C-13-H3C(O)CH3
  100567.4331  0.0196 -6.4953 3  186.3554408  5951614042519 7 2    2518 7 2      C-13-H3C(O)CH3
  100572.2550  0.0048 -4.8849 3  148.4901360 -5951614042218 4 2    2217 5 2      C-13-H3C(O)CH3
  100583.9865  0.0019 -5.0273 3  128.6709180  595161404221112 3    221013 3      C-13-H3C(O)CH3
  100584.0628  0.0026 -5.0273 3  128.6709180  595161404221112 4    221013 4      C-13-H3C(O)CH3
  100604.4375  0.0019 -4.7254 3  128.6480360 -595161404221012 0    22 913 0      C-13-H3C(O)CH3
  100637.0190  0.0019 -4.7254 3  128.6584360 -595161404221112 2    221013 2      C-13-H3C(O)CH3
  100643.3668  0.0314 -5.3791 3  499.6259340  595161404422715 3    422616 3      C-13-H3C(O)CH3
  100650.3509  0.0026 -5.9663 3   26.1598168  59516140410 6 5 0     9 7 2 0      C-13-H3C(O)CH3
  100658.1315  0.0019 -4.7254 3  128.6607360 -595161404221112 1    221013 1      C-13-H3C(O)CH3
  100684.3513  0.0379 -7.9094 3  623.6053760  595161404473018 1    472918 1      C-13-H3C(O)CH3
  100685.5028  0.0077 -5.4620 3   97.8264280  5951614041717 0 1    1716 1 1      C-13-H3C(O)CH3
  100706.5969  0.0083 -5.4615 3   97.7608280  5951614041717 1 2    1716 2 2      C-13-H3C(O)CH3
  100710.2423  0.0054 -4.8838 3  148.4764360  5951614042218 4 0    2217 5 0      C-13-H3C(O)CH3
  100711.1348  0.0018 -4.7245 3  128.6483360 -595161404221112 0    221013 0      C-13-H3C(O)CH3
  100740.5467  0.0054 -4.8835 3  148.4754360 -5951614042218 5 0    2217 6 0      C-13-H3C(O)CH3
  100748.5925  0.0082 -5.4613 3   97.7485280  5951614041717 1 1    1716 2 1      C-13-H3C(O)CH3
  100752.7517  0.0340 -5.3825 3  499.6266340  595161404422715 4    422616 4      C-13-H3C(O)CH3
  100773.3140  0.0072 -5.4616 3   97.8386280  5951614041717 0 2    1716 1 2      C-13-H3C(O)CH3
  100791.6799  0.0026 -6.2715 3   26.2659 84  59516140410 6 5 3     9 7 2 3      C-13-H3C(O)CH3
  100800.3171  0.0039 -4.8110 3  308.1214536 -595161404332113 1    332014 1      C-13-H3C(O)CH3
  100838.4221  0.0038 -4.8107 3  308.1407536 -595161404332113 0    332014 0      C-13-H3C(O)CH3
  100860.4848  0.0042 -5.1117 3  308.0969268  595161404332113 3    332014 3      C-13-H3C(O)CH3
  100863.7373  0.0041 -5.1115 3  308.0968268  595161404332113 4    332014 4      C-13-H3C(O)CH3
  100871.0494  0.0065 -7.1314 3   82.7018148  59516140418 811 4    17 9 8 4      C-13-H3C(O)CH3
  100881.1880  0.0096 -6.2557 3   21.8545152  595161404 9 6 3 2     8 7 2 2      C-13-H3C(O)CH3
  100892.7109  0.0050 -6.8279 3   82.6732296  59516140418 811 1    17 9 8 1      C-13-H3C(O)CH3
  100893.9224  0.0051 -7.1314 3   82.7010148  59516140418 811 3    17 9 8 3      C-13-H3C(O)CH3
  100902.2765  0.0039 -4.8103 3  308.1163536 -595161404332113 2    332014 2      C-13-H3C(O)CH3
  100949.6959  0.0194 -5.8564 3  261.1294244  595161404302110 4    302010 4      C-13-H3C(O)CH3
  100975.0548  0.0701 -7.5936 3  623.5969760  595161404473018 2    472918 2      C-13-H3C(O)CH3
  101001.2109  0.0234 -6.1590 3  186.3254204  5951614042519 7 3    2518 7 3      C-13-H3C(O)CH3
  101010.3113  0.0052 -6.8238 3   82.6675296  59516140418 811 2    17 9 8 2      C-13-H3C(O)CH3
  101019.4879  0.0046 -6.8214 3   82.6395296  59516140418 811 0    17 9 8 0      C-13-H3C(O)CH3
  101024.4155  0.0081 -5.4598 3   97.8112280  5951614041717 0 0    1716 1 0      C-13-H3C(O)CH3
  101024.4270  0.0081 -5.4598 3   97.8112280  5951614041717 1 0    1716 2 0      C-13-H3C(O)CH3
  101034.2696  0.0050 -6.0737 3   41.6469200  59516140412 9 3 0    12 6 6 0      C-13-H3C(O)CH3
  101035.4256  0.0042 -6.6917 3   36.7599100  59516140412 6 7 4    11 7 4 4      C-13-H3C(O)CH3
  101045.6372  0.0026 -6.7418 3   74.7001280  59516140417 710 0    1610 7 0      C-13-H3C(O)CH3
  101099.7072  0.0107 -5.6433 3  261.1482488  595161404302110 1    302010 1      C-13-H3C(O)CH3
  101104.8859  0.0081 -6.2628 3   21.8493152  595161404 9 6 3 1     8 7 2 1      C-13-H3C(O)CH3
  101105.9910  0.0057 -6.1693 3   41.6994200  59516140412 9 3 1    12 6 6 1      C-13-H3C(O)CH3
  101106.0997  0.0060 -6.5590 3   27.6065 84  59516140410 7 4 4     9 8 2 4      C-13-H3C(O)CH3
  101115.3742  0.0029 -6.7435 3   74.7285280  59516140417 710 2    1610 7 2      C-13-H3C(O)CH3
  101118.0627  0.0048 -6.6890 3   36.7572100  59516140412 6 7 3    11 7 4 3      C-13-H3C(O)CH3
  101125.8168  0.0030 -6.7458 3   74.7300280  59516140417 710 1    1610 7 1      C-13-H3C(O)CH3
  101153.6346  0.0058 -6.1579 3   41.6963200  59516140412 9 3 2    12 6 6 2      C-13-H3C(O)CH3
  101155.9010  0.0041 -6.3836 3   36.7057200  59516140412 6 7 1    11 7 4 1      C-13-H3C(O)CH3
  101162.6797  0.0030 -7.0486 3   74.7595140  59516140417 710 3    1610 7 3      C-13-H3C(O)CH3
  101174.5190  0.0137 -6.1435 3  261.1287244  595161404302110 3    302010 3      C-13-H3C(O)CH3
  101224.4582  0.0044 -6.3787 3   36.7021200  59516140412 6 7 2    11 7 4 2      C-13-H3C(O)CH3
  101228.2261  0.0032 -7.0486 3   74.7574140  59516140417 710 4    1610 7 4      C-13-H3C(O)CH3
  101244.9307  0.0616 -7.4494 3  623.5816380  595161404473018 4    472918 4      C-13-H3C(O)CH3
  101290.7938  0.0062 -5.1536 3  186.3254204  5951614042519 6 3    2518 7 3      C-13-H3C(O)CH3
  101302.1867  0.0032 -6.3731 3   36.6494200  59516140412 6 7 0    11 7 4 0      C-13-H3C(O)CH3
  101316.8108  0.0043 -6.9093 3  112.0894344  59516140421 913 1    201010 1      C-13-H3C(O)CH3
  101336.2243  0.0092 -5.1686 3  228.8853228  5951614042820 9 4    281910 4      C-13-H3C(O)CH3
  101352.8144  0.0040 -6.9041 3  112.0703344  59516140421 913 0    201010 0      C-13-H3C(O)CH3
  101354.7114  0.0056 -7.2119 3  112.1042172  59516140421 913 4    201010 4      C-13-H3C(O)CH3
  101361.2373  0.0043 -7.2119 3  112.1040172  59516140421 913 3    201010 3      C-13-H3C(O)CH3
  101367.0630  0.0057 -5.1133 3  186.2754204  5951614042519 7 4    2518 8 4      C-13-H3C(O)CH3
  101394.5261  0.0043 -6.9056 3  112.0849344  59516140421 913 2    201010 2      C-13-H3C(O)CH3
  101453.6213  0.0066 -5.1135 3  186.3578204  5951614042519 6 4    2518 7 4      C-13-H3C(O)CH3
  101479.0492  0.0041 -6.6796 3   59.7338248  59516140415 7 8 0    1410 5 0      C-13-H3C(O)CH3
  101496.3766  0.0080 -6.1499 3  261.1476488  595161404302110 2    302010 2      C-13-H3C(O)CH3
  101526.1312  0.0062 -5.1519 3  186.3079204  5951614042519 7 3    2518 8 3      C-13-H3C(O)CH3
  101539.5790  0.0046 -4.8150 3  186.3552408 -5951614042519 6 1    2518 7 1      C-13-H3C(O)CH3
  101569.1843  0.0070 -6.5420 3   41.7493100  59516140412 9 3 4    12 6 6 4      C-13-H3C(O)CH3
  101576.5446  0.0044 -4.8143 3  186.3066408 -5951614042519 7 1    2518 8 1      C-13-H3C(O)CH3
  101581.9387  0.0065 -4.8799 3  228.9062456 -5951614042820 9 1    281910 1      C-13-H3C(O)CH3
  101640.7912  0.0047 -4.8182 3  186.3196408 -5951614042519 7 2    2518 8 2      C-13-H3C(O)CH3
  101667.5619  0.0046 -4.8093 3  186.3572408  5951614042519 6 0    2518 7 0      C-13-H3C(O)CH3
  101689.7256  0.0096 -6.7649 3   35.8397184  59516140411 9 3 1    11 6 5 1      C-13-H3C(O)CH3
  101690.1646  0.0024 -4.7218 3  216.3887456 -595161404281613 2    281514 2      C-13-H3C(O)CH3
  101695.2819  0.0028 -5.0231 3  216.3782228  595161404281613 4    281514 4      C-13-H3C(O)CH3
  101696.6156  0.0024 -5.0231 3  216.3782228  595161404281613 3    281514 3      C-13-H3C(O)CH3
  101700.7038  0.0045 -4.8183 3  186.3554408 -5951614042519 6 2    2518 7 2      C-13-H3C(O)CH3
  101706.2290  0.0023 -4.7216 3  216.4039456 -595161404281613 0    281514 0      C-13-H3C(O)CH3
  101706.9268  0.0098 -5.1557 3  228.8915228  5951614042820 9 3    281910 3      C-13-H3C(O)CH3
  101712.2884  0.0024 -4.7218 3  216.3933456 -595161404281613 1    281514 1      C-13-H3C(O)CH3
  101744.7212  0.0019 -5.0341 3  115.4849172  59516140421 912 3    21 813 3      C-13-H3C(O)CH3
  101745.0963  0.0026 -5.0341 3  115.4850172  59516140421 912 4    21 813 4      C-13-H3C(O)CH3
  101758.5784  0.0129 -6.9126 3  370.5946292  595161404362413 4    362313 4      C-13-H3C(O)CH3
  101762.9511  0.0015 -5.3411 3   11.2840 60 -595161404 7 4 4 4     6 3 3 4      C-13-H3C(O)CH3
  101778.1465  0.0019 -5.0339 3  115.4850172  595161404211012 3    21 913 3      C-13-H3C(O)CH3
  101778.2849  0.0026 -5.0339 3  115.4850172  595161404211012 4    21 913 4      C-13-H3C(O)CH3
  101792.6090  0.0154 -7.2065 3  370.5948292  595161404362413 3    362313 3      C-13-H3C(O)CH3
  101807.4769  0.0022 -5.3401 3   11.2831 60 -595161404 7 4 4 3     6 3 3 3      C-13-H3C(O)CH3
  101813.9757  0.0126 -7.7664 3  159.5341392  595161404241411 2    2317 6 2      C-13-H3C(O)CH3
  101814.2514  0.0019 -4.7321 3  115.4670344 -59516140421 912 2    21 813 2      C-13-H3C(O)CH3
  101815.7141  0.0231 -6.1520 3  186.3079204  5951614042519 6 3    2518 8 3      C-13-H3C(O)CH3
  101833.0794  0.0019 -4.7321 3  115.4689344 -59516140421 912 1    21 813 1      C-13-H3C(O)CH3
  101838.6489  0.0126 -5.0095 3  454.4864648  595161404402614 0    402515 0      C-13-H3C(O)CH3
  101841.6824  0.0054 -6.7041 3   59.7589248  59516140415 7 8 2    1410 5 2      C-13-H3C(O)CH3
  101845.9665  0.0087 -4.8847 3  228.9119456 -5951614042820 9 2    281910 2      C-13-H3C(O)CH3
  101848.9061  0.0019 -4.7318 3  115.4671344 -595161404211012 2    21 913 2      C-13-H3C(O)CH3
  101850.7792  0.0103 -5.1474 3  261.1287244  5951614043021 9 3    302010 3      C-13-H3C(O)CH3
  101851.7321  0.0049 -4.8023 3  276.2192504 -595161404312111 1    312012 1      C-13-H3C(O)CH3
  101853.6561  0.0110 -7.8825 3   19.9493136  595161404 8 8 1 1     8 5 3 1      C-13-H3C(O)CH3
  101861.0594  0.0076 -5.1046 3  276.1986252  595161404312111 4    312012 4      C-13-H3C(O)CH3
  101866.6088  0.0019 -4.7318 3  115.4689344 -595161404211012 1    21 913 1      C-13-H3C(O)CH3
  101872.1885  0.0060 -5.1021 3  276.1987252  595161404312111 3    312012 3      C-13-H3C(O)CH3
  101883.7808  0.0020 -5.0387 3   11.2150120 -595161404 7 4 4 1     6 3 3 1      C-13-H3C(O)CH3
  101885.9939  0.0115 -6.7306 3  370.6136584  595161404362413 2    362313 2      C-13-H3C(O)CH3
  101886.0110  0.0039 -6.9801 3   59.7972124  59516140415 7 8 3    1410 5 3      C-13-H3C(O)CH3
  101902.3489  0.0018 -4.7310 3  115.4510344 -59516140421 912 0    21 813 0      C-13-H3C(O)CH3
  101914.2655  0.0024 -5.0387 3   11.2134120 -595161404 7 4 4 2     6 3 3 2      C-13-H3C(O)CH3
  101915.4826  0.0137 -5.0097 3  454.4680648  595161404402614 1    402515 1      C-13-H3C(O)CH3
  101937.1610  0.0018 -4.7308 3  115.4511344 -595161404211012 0    21 913 0      C-13-H3C(O)CH3
  101961.0512  0.0073 -4.8723 3  261.1482488 -5951614043021 9 1    302010 1      C-13-H3C(O)CH3
  101970.1243  0.0045 -4.8068 3  186.3462408 -5951614042519 7 0    2518 8 0      C-13-H3C(O)CH3
  101986.5480  0.0116 -7.8686 3  156.6238196  595161404241312 4    2316 7 4      C-13-H3C(O)CH3
  101991.8061  0.0126 -7.7768 3  159.5326392  595161404241411 1    2317 6 1      C-13-H3C(O)CH3
  102006.0598  0.0112 -6.7738 3   35.8359184  59516140411 9 3 2    11 6 5 2      C-13-H3C(O)CH3
  102012.3331  0.0021 -5.0378 3   11.1450120 -595161404 7 4 4 0     6 3 3 0      C-13-H3C(O)CH3
  102023.5179  0.0052 -6.7092 3   59.7554248  59516140415 7 8 1    1410 5 1      C-13-H3C(O)CH3
  102026.6275  0.0037 -4.7941 3  276.2390504 -595161404312111 0    312012 0      C-13-H3C(O)CH3
  102029.5427  0.0114 -5.1901 3  261.1294244  5951614043021 9 4    302010 4      C-13-H3C(O)CH3
  102029.8052  0.0048 -4.8031 3  261.1666488 -5951614043021 9 0    302010 0      C-13-H3C(O)CH3
  102033.1644  0.0066 -4.8232 3  261.1476488 -5951614043021 9 2    302010 2      C-13-H3C(O)CH3
  102044.2429  0.0040 -4.7941 3  276.2186504 -595161404312111 2    312012 2      C-13-H3C(O)CH3
  102078.6938  0.0039 -4.7839 3  228.9296456 -5951614042820 9 0    281910 0      C-13-H3C(O)CH3
  102087.0525  0.0605 -5.6535 3  876.2359904  595161404563422 0    563323 0      C-13-H3C(O)CH3
  102126.5479  0.0026 -4.7137 3  199.7240440 -595161404271413 2    271314 2      C-13-H3C(O)CH3
  102138.0468  0.0128 -7.8825 3   19.9470136  595161404 8 8 1 2     8 5 3 2      C-13-H3C(O)CH3
  102155.2422  0.0030 -5.0148 3  199.7166220  595161404271413 3    271314 3      C-13-H3C(O)CH3
  102158.0156  0.0024 -4.7133 3  199.7357440 -595161404271413 0    271314 0      C-13-H3C(O)CH3
  102158.1551  0.0035 -5.0148 3  199.7166220  595161404271413 4    271314 4      C-13-H3C(O)CH3
  102172.9054  0.0082 -7.5074 3  159.5251392  595161404241411 0    2317 6 0      C-13-H3C(O)CH3
  102178.7055  0.0082 -6.6216 3   21.8749 76  595161404 9 6 3 4     8 7 2 4      C-13-H3C(O)CH3
  102187.4062  0.0026 -4.7134 3  199.7283440 -595161404271413 1    271314 1      C-13-H3C(O)CH3
  102198.8371  0.0503 -5.6524 3  876.2140904  595161404563422 2    563323 2      C-13-H3C(O)CH3
  102205.7932  0.0085 -7.7168 3   35.8926 92  59516140411 9 3 3    11 6 5 3      C-13-H3C(O)CH3
  102207.8087  0.0547 -5.6524 3  876.2163904  595161404563422 1    563323 1      C-13-H3C(O)CH3
  102208.2432  0.0146 -5.9206 3  228.8915228  5951614042820 8 3    281910 3      C-13-H3C(O)CH3
  102223.8871  0.0061 -5.2435 3  137.9395172 -5951614042118 3 3    2117 4 3      C-13-H3C(O)CH3
  102266.1425  0.0064 -5.2428 3  137.8748172  5951614042118 4 4    2117 5 4      C-13-H3C(O)CH3
  102273.0922  0.0230 -5.0097 3  454.4585648  595161404402614 2    402515 2      C-13-H3C(O)CH3
  102281.2368  0.0078 -7.4799 3  156.6118392  595161404241312 2    2316 7 2      C-13-H3C(O)CH3
  102282.9384  0.0085 -6.2464 3  295.4696520  595161404322211 1    322111 1      C-13-H3C(O)CH3
  102286.9256  0.0127 -6.4405 3  295.4487260  595161404322211 3    322111 3      C-13-H3C(O)CH3
  102290.4619  0.0242 -5.3082 3  454.4398324  595161404402614 3    402515 3      C-13-H3C(O)CH3
  102294.9007  0.0045 -4.7611 3  266.1220504 -595161404311714 2    311615 2      C-13-H3C(O)CH3
  102311.8418  0.0075 -5.2433 3  137.9977172  5951614042118 3 4    2117 4 4      C-13-H3C(O)CH3
  102320.1153  0.0299 -5.9524 3  876.1942452  595161404563422 3    563323 3      C-13-H3C(O)CH3
  102328.8997  0.0037 -4.7609 3  266.1450504 -595161404311714 0    311615 0      C-13-H3C(O)CH3
  102339.8010  0.0368 -5.9523 3  876.1946452  595161404563422 4    563323 4      C-13-H3C(O)CH3
  102341.5638  0.0083 -7.5035 3  156.6139392  595161404241312 1    2316 7 1      C-13-H3C(O)CH3
  102343.0335  0.0125 -6.6666 3  295.4481260  595161404322211 4    322111 4      C-13-H3C(O)CH3
  102352.7505  0.0063 -5.2427 3  137.9329172  5951614042118 4 3    2117 5 3      C-13-H3C(O)CH3
  102367.2597  0.0060 -7.4342 3  156.6108392  595161404241312 0    2316 7 0      C-13-H3C(O)CH3
  102374.4532  0.0060 -5.0617 3  266.1051252 -595161404311714 3    311615 3      C-13-H3C(O)CH3
  102379.3683  0.0054 -5.0616 3  266.1051252  595161404311714 4    311615 4      C-13-H3C(O)CH3
  102398.3886  0.0266 -5.3134 3  454.4403324  595161404402614 4    402515 4      C-13-H3C(O)CH3
  102409.0823  0.0047 -4.7604 3  266.1280504 -595161404311714 1    311615 1      C-13-H3C(O)CH3
  102461.4681  0.0083 -7.4474 3  355.3544616  595161404381325 1    371622 1      C-13-H3C(O)CH3
  102461.4815  0.0083 -7.4474 3  355.3544616  595161404381425 1    371522 1      C-13-H3C(O)CH3
  102469.3266  0.0070 -7.4449 3  355.3804616  595161404381325 0    371622 0      C-13-H3C(O)CH3
  102469.3396  0.0070 -7.4449 3  355.3804616  595161404381425 0    371522 0      C-13-H3C(O)CH3
  102475.3111  0.0080 -7.7486 3  355.3261308  595161404381325 3    371622 3      C-13-H3C(O)CH3
  102475.3259  0.0080 -7.7486 3  355.3261308  595161404381425 3    371522 3      C-13-H3C(O)CH3
  102475.4243  0.0081 -7.7486 3  355.3261308  595161404381325 4    371622 4      C-13-H3C(O)CH3
  102475.4389  0.0081 -7.7486 3  355.3261308  595161404381425 4    371522 4      C-13-H3C(O)CH3
  102483.2097  0.0083 -7.4449 3  355.3521616  595161404381325 2    371622 2      C-13-H3C(O)CH3
  102483.2239  0.0083 -7.4449 3  355.3521616  595161404381425 2    371522 2      C-13-H3C(O)CH3
  102484.9943  0.0121 -5.4710 3  228.9119456  5951614042820 8 2    281910 2      C-13-H3C(O)CH3
  102485.0301  0.0082 -7.6198 3  331.9584552  595161404342312 1    342212 1      C-13-H3C(O)CH3
  102497.9480  0.0058 -4.9409 3  137.9816344 -5951614042118 3 1    2117 4 1      C-13-H3C(O)CH3
  102532.0050  0.0058 -4.9404 3  137.9309344 -5951614042118 4 2    2117 5 2      C-13-H3C(O)CH3
  102537.3594  0.0058 -4.9403 3  137.9170344 -5951614042118 4 1    2117 5 1      C-13-H3C(O)CH3
  102538.0699  0.0130 -6.8040 3  331.9358276  595161404342312 3    342212 3      C-13-H3C(O)CH3
  102553.8942  0.0109 -7.6807 3  189.7484424  595161404261611 0    2519 6 0      C-13-H3C(O)CH3
  102561.8791  0.0080 -6.7498 3   35.8926 92  59516140411 9 2 3    11 6 5 3      C-13-H3C(O)CH3
  102578.4834  0.0063 -7.6449 3  295.4679520  595161404322211 2    322111 2      C-13-H3C(O)CH3
  102593.0263  0.0102 -7.4388 3  331.9353276  595161404342312 4    342212 4      C-13-H3C(O)CH3
  102603.0959  0.0038 -7.4783 3   47.8640108  59516140413 9 5 4    13 6 7 4      C-13-H3C(O)CH3
  102607.5047  0.0050 -6.7609 3   26.1492168  59516140410 6 5 2     9 7 3 2      C-13-H3C(O)CH3
  102619.8358  0.0120 -5.4966 3  228.9062456  5951614042820 8 1    281910 1      C-13-H3C(O)CH3
  102621.3074  0.0054 -4.9403 3  137.9890344 -5951614042118 3 2    2117 4 2      C-13-H3C(O)CH3
  102634.8597  0.0053 -7.1987 3  239.3524504  595161404311120 0    301417 0      C-13-H3C(O)CH3
  102637.3603  0.0053 -7.1987 3  239.3523504  595161404311220 0    301317 0      C-13-H3C(O)CH3
  102650.5060  0.0109 -7.7242 3  493.7644728  595161404451630 1    441727 1      C-13-H3C(O)CH3
  102650.5060  0.0109 -7.7242 3  493.7644728  595161404451530 1    441827 1      C-13-H3C(O)CH3
  102658.7592  0.0062 -7.2021 3  239.3372504  595161404311120 1    301417 1      C-13-H3C(O)CH3
  102661.2198  0.0062 -7.2021 3  239.3371504  595161404311220 1    301317 1      C-13-H3C(O)CH3
  102661.8872  0.0111 -7.7213 3  493.7629728  595161404451630 2    441727 2      C-13-H3C(O)CH3
  102661.8872  0.0111 -7.7218 3  493.7629728  595161404451530 2    441827 2      C-13-H3C(O)CH3
  102692.9712  0.0061 -7.1991 3  239.3342504  595161404311120 2    301417 2      C-13-H3C(O)CH3
  102695.5449  0.0061 -7.1991 3  239.3341504  595161404311220 2    301317 2      C-13-H3C(O)CH3
  102703.9710  0.0092 -7.7233 3  493.7898728  595161404451530 0    441827 0      C-13-H3C(O)CH3
  102703.9711  0.0092 -7.7235 3  493.7898728  595161404451630 0    441727 0      C-13-H3C(O)CH3
  102716.8780  0.0062 -7.5035 3  239.3190252  595161404311120 4    301417 4      C-13-H3C(O)CH3
  102716.8796  0.0058 -7.5035 3  239.3190252  595161404311120 3    301417 3      C-13-H3C(O)CH3
  102719.4015  0.0062 -7.5034 3  239.3189252  595161404311220 4    301317 4      C-13-H3C(O)CH3
  102719.4144  0.0058 -7.5034 3  239.3189252  595161404311220 3    301317 3      C-13-H3C(O)CH3
  102725.8596  0.0066 -7.7456 3  156.5992196  595161404241312 3    2316 7 3      C-13-H3C(O)CH3
  102726.9671  0.0065 -7.0477 3   59.7694124  59516140415 7 8 4    1410 5 4      C-13-H3C(O)CH3
  102733.0449  0.0043 -6.7049 3   26.1458168  59516140410 6 5 1     9 7 3 1      C-13-H3C(O)CH3
  102733.9237  0.0088 -6.7321 3  331.9550552  595161404342312 2    342212 2      C-13-H3C(O)CH3
  102774.0910  0.0195 -6.4778 3  186.3196408  5951614042519 6 2    2518 8 2      C-13-H3C(O)CH3
  102784.3272  0.0020 -5.0479 3  102.8791164 -59516140420 812 3    20 713 3      C-13-H3C(O)CH3
  102784.3272  0.0027 -5.0479 3  102.8792164 -59516140420 812 4    20 713 4      C-13-H3C(O)CH3
  102784.9892  0.0060 -7.5714 3   13.3523120  595161404 7 6 2 1     7 3 5 1      C-13-H3C(O)CH3
  102794.1639  0.0020 -5.0478 3  102.8792164  59516140420 912 3    20 813 3      C-13-H3C(O)CH3
  102794.3014  0.0027 -5.0478 3  102.8792164  59516140420 912 4    20 813 4      C-13-H3C(O)CH3
  102803.8176  0.0062 -4.9389 3  137.9730344  5951614042118 3 0    2117 4 0      C-13-H3C(O)CH3
  102808.6170  0.0062 -4.9389 3  137.9728344 -5951614042118 4 0    2117 5 0      C-13-H3C(O)CH3
  102872.3344  0.0020 -4.7456 3  102.8553328  59516140420 812 2    20 713 2      C-13-H3C(O)CH3
  102882.6429  0.0020 -4.7455 3  102.8553328 -59516140420 912 2    20 813 2      C-13-H3C(O)CH3
  102887.1668  0.0020 -4.7457 3  102.8568328 -59516140420 812 1    20 713 1      C-13-H3C(O)CH3
  102896.0019  0.0281 -6.7659 3  215.3107220  5951614042720 8 4    2719 8 4      C-13-H3C(O)CH3
  102897.1329  0.0020 -4.7456 3  102.8568328 -59516140420 912 1    20 813 1      C-13-H3C(O)CH3
  102919.1653  0.0074 -7.5627 3   13.3517120  595161404 7 6 2 2     7 3 5 2      C-13-H3C(O)CH3
  102952.0203  0.0209 -5.8593 3  228.8853228  5951614042820 8 4    281910 4      C-13-H3C(O)CH3
  102975.0058  0.0019 -4.7444 3  102.8330328  59516140420 812 0    20 713 0      C-13-H3C(O)CH3
  102985.4173  0.0019 -4.7444 3  102.8330328 -59516140420 912 0    20 813 0      C-13-H3C(O)CH3
  102997.3530  0.0180 -6.7387 3  186.3066408  5951614042519 6 1    2518 8 1      C-13-H3C(O)CH3
  103012.1228  0.0068 -6.9680 3   57.5106124  59516140415 7 9 4    14 8 6 4      C-13-H3C(O)CH3
  103055.1175  0.0050 -6.9678 3   57.5092124  59516140415 7 9 3    14 8 6 3      C-13-H3C(O)CH3
  103060.6484  0.0038 -7.7287 3   13.4200 60  595161404 7 6 2 3     7 3 5 3      C-13-H3C(O)CH3
  103105.4745  0.0035 -7.6488 3   47.8181216  59516140413 9 5 1    13 6 7 1      C-13-H3C(O)CH3
  103106.2612  0.0052 -6.6628 3   57.4680248  59516140415 7 9 1    14 8 6 1      C-13-H3C(O)CH3
  103106.5865  0.1034 -5.6024 3  847.5727888  595161404553421 0    553322 0      C-13-H3C(O)CH3
  103155.2892  0.0117 -7.8549 3  159.4893392  595161404241411 2    2317 7 2      C-13-H3C(O)CH3
  103211.6083  0.0113 -4.9462 3  411.4552616 -595161404382513 1    382414 1      C-13-H3C(O)CH3
  103214.1564  0.0040 -7.7621 3   47.8158216  59516140413 9 5 2    13 6 7 2      C-13-H3C(O)CH3
  103222.8571  0.0101 -4.9455 3  411.4736616 -595161404382513 0    382414 0      C-13-H3C(O)CH3
  103224.2589  0.0065 -4.8374 3  295.4696520 -595161404322210 1    322111 1      C-13-H3C(O)CH3
  103237.2879  0.0053 -6.6578 3   57.4621248  59516140415 7 9 2    14 8 6 2      C-13-H3C(O)CH3
  103250.7882  0.0085 -5.1341 3  295.4481260  595161404322210 4    322111 4      C-13-H3C(O)CH3
  103271.0769  0.0106 -5.1429 3  295.4487260  595161404322210 3    322111 3      C-13-H3C(O)CH3
  103289.4751  0.0138 -7.8611 3  174.3040408  595161404251511 2    2418 6 2      C-13-H3C(O)CH3
  103308.0278  0.0051 -6.6537 3   57.4204248  59516140415 7 9 0    14 8 6 0      C-13-H3C(O)CH3
  103372.9429  0.0055 -4.8196 3  295.4890520  595161404322210 0    322111 0      C-13-H3C(O)CH3
  103408.7462  0.0046 -6.7407 3   26.1776 84  59516140410 6 5 4     9 7 3 4      C-13-H3C(O)CH3
  103411.8650  0.0063 -4.8200 3  295.4679520  595161404322210 2    322111 2      C-13-H3C(O)CH3
  103485.3026  0.0084 -6.4054 3   35.7826184  59516140411 9 2 0    11 6 5 0      C-13-H3C(O)CH3
  103504.7982  0.0185 -5.2463 3  411.4290308  595161404382513 3    382414 3      C-13-H3C(O)CH3
  103510.8814  0.0027 -5.0041 3  199.7223220  595161404271513 4    271414 4      C-13-H3C(O)CH3
  103511.5593  0.0023 -5.0041 3  199.7223220  595161404271513 3    271414 3      C-13-H3C(O)CH3
  103512.1559  0.0022 -4.7028 3  199.7299440 -595161404271513 2    271414 2      C-13-H3C(O)CH3
  103526.5658  0.0137 -7.8663 3  174.3005408  595161404251511 1    2418 6 1      C-13-H3C(O)CH3
  103539.1953  0.0022 -4.7027 3  199.7340440 -595161404271513 1    271414 1      C-13-H3C(O)CH3
  103540.0533  0.0022 -4.7024 3  199.7416440 -595161404271513 0    271414 0      C-13-H3C(O)CH3
  103564.3298  0.0171 -4.9480 3  411.4476616 -595161404382513 2    382414 2      C-13-H3C(O)CH3
  103564.8488  0.0930 -5.5995 3  847.5524888  595161404553421 1    553322 1      C-13-H3C(O)CH3
  103578.0567  0.0102 -7.5630 3   19.8842136  595161404 8 8 0 0     8 5 3 0      C-13-H3C(O)CH3
  103590.1848  0.0208 -5.2528 3  411.4292308  595161404382513 4    382414 4      C-13-H3C(O)CH3
  103595.4690  0.0040 -6.9616 3  145.7334392  59516140424 915 0    231212 0      C-13-H3C(O)CH3
  103606.2301  0.0863 -5.5026 3  788.3671856  595161404533320 0    533221 0      C-13-H3C(O)CH3
  103609.7150  0.0044 -6.9660 3  145.7396392  59516140424 915 1    231212 1      C-13-H3C(O)CH3
  103619.6784  0.1360 -5.5992 3  847.5485888  595161404553421 2    553322 2      C-13-H3C(O)CH3
  103630.1611  0.0095 -7.5729 3  174.2995408  595161404251511 0    2418 6 0      C-13-H3C(O)CH3
  103648.4539  0.0021 -5.0703 3   90.8565156  59516140419 712 3    19 613 3      C-13-H3C(O)CH3
  103648.5994  0.0028 -5.0703 3   90.8565156  59516140419 712 4    19 613 4      C-13-H3C(O)CH3
  103651.1234  0.0021 -5.0702 3   90.8565156  59516140419 812 3    19 713 3      C-13-H3C(O)CH3
  103651.2431  0.0028 -5.0702 3   90.8565156  59516140419 812 4    19 713 4      C-13-H3C(O)CH3
  103654.2346  0.0049 -7.4148 3   13.2841120  595161404 7 6 2 0     7 3 5 0      C-13-H3C(O)CH3
  103656.8654  0.0044 -6.9627 3  145.7361392  59516140424 915 2    231212 2      C-13-H3C(O)CH3
  103670.9706  0.0052 -7.2681 3  145.7423196  59516140424 915 4    231212 4      C-13-H3C(O)CH3
  103671.0552  0.0043 -7.2681 3  145.7423196  59516140424 915 3    231212 3      C-13-H3C(O)CH3
  103679.2734  0.0118 -7.8317 3  159.4763392  595161404241411 1    2317 7 1      C-13-H3C(O)CH3
  103735.2277  0.0169 -6.1035 3  215.3169440  5951614042720 8 1    2719 8 1      C-13-H3C(O)CH3
  103745.9246  0.0041 -6.5745 3  276.2192504  595161404312110 1    312012 1      C-13-H3C(O)CH3
  103754.2697  0.0021 -4.7678 3   90.8263312 -59516140419 712 2    19 613 2      C-13-H3C(O)CH3
  103757.0562  0.0021 -4.7678 3   90.8263312 -59516140419 812 2    19 713 2      C-13-H3C(O)CH3
  103758.0194  0.0065 -6.9443 3  276.1987252  595161404312110 3    312012 3      C-13-H3C(O)CH3
  103765.9410  0.0021 -4.7680 3   90.8275312 -59516140419 712 1    19 613 1      C-13-H3C(O)CH3
  103767.5578  0.0058 -6.7969 3  276.1986252  595161404312110 4    312012 4      C-13-H3C(O)CH3
  103768.6247  0.0021 -4.7679 3   90.8275312 -59516140419 812 1    19 713 1      C-13-H3C(O)CH3
  103812.3147  0.0089 -6.6515 3   35.8397184  59516140411 9 2 1    11 6 5 1      C-13-H3C(O)CH3
  103840.4541  0.0026 -6.6510 3   66.9804264  59516140416 7 9 0    1510 6 0      C-13-H3C(O)CH3
  103856.1141  0.1150 -5.7005 3  908.9026920  595161404573522 0    573423 0      C-13-H3C(O)CH3
  103871.5229  0.0020 -4.7665 3   90.7974312 -59516140419 712 0    19 613 0      C-13-H3C(O)CH3
  103874.3099  0.0020 -4.7665 3   90.7974312 -59516140419 812 0    19 713 0      C-13-H3C(O)CH3
  103896.3422  0.0072 -4.8510 3  331.9584552 -595161404342311 1    342212 1      C-13-H3C(O)CH3
  103898.6205  0.0091 -4.8923 3  370.6191584 -595161404362412 1    362313 1      C-13-H3C(O)CH3
  103920.2860  0.0088 -6.6484 3   35.8359184  59516140411 9 2 2    11 6 5 2      C-13-H3C(O)CH3
  103922.4247  0.0069 -5.3300 3  127.9618164  5951614042018 3 3    2017 3 3      C-13-H3C(O)CH3
  103923.4643  0.0041 -6.9587 3  145.7225392  595161404241015 0    231112 0      C-13-H3C(O)CH3
  103926.7663  0.0274 -7.4836 3  186.2754204  5951614042519 6 4    2518 8 4      C-13-H3C(O)CH3
  103927.4395  0.0045 -6.9631 3  145.7290392  595161404241015 1    231112 1      C-13-H3C(O)CH3
  103976.3604  0.0032 -6.6535 3   67.0096264  59516140416 7 9 2    1510 6 2      C-13-H3C(O)CH3
  103983.8320  0.0045 -6.9597 3  145.7252392  595161404241015 2    231112 2      C-13-H3C(O)CH3
  103986.2560  0.0072 -5.3292 3  127.8937164  5951614042018 3 4    2017 4 4      C-13-H3C(O)CH3
  103986.6649  0.0053 -7.2652 3  145.7318196  595161404241015 4    231112 4      C-13-H3C(O)CH3
  103987.6915  0.0081 -4.8916 3  370.6379584  595161404362412 0    362313 0      C-13-H3C(O)CH3
  103988.3537  0.0043 -7.2652 3  145.7317196  595161404241015 3    231112 3      C-13-H3C(O)CH3
  103989.5862  0.0104 -7.8437 3   19.9493136  595161404 8 8 0 1     8 5 3 1      C-13-H3C(O)CH3
  103993.3998  0.0082 -5.3301 3  128.0262164  5951614042018 2 4    2017 3 4      C-13-H3C(O)CH3
  104001.1211  0.0273 -7.1518 3  174.2647196  5951614042419 6 3    2418 6 3      C-13-H3C(O)CH3
  104014.4672  0.0112 -5.1527 3  331.9353276  595161404342311 4    342212 4      C-13-H3C(O)CH3
  104039.7730  0.0119 -5.1602 3  331.9358276  595161404342311 3    342212 3      C-13-H3C(O)CH3
  104040.8959  0.0066 -4.8494 3  331.9776552  595161404342311 0    342212 0      C-13-H3C(O)CH3
  104048.3529  0.0031 -6.6551 3   67.0094264  59516140416 7 9 1    1510 6 1      C-13-H3C(O)CH3
  104050.9993  0.0089 -6.5104 3   27.7376 84  59516140410 7 3 4     9 8 1 4      C-13-H3C(O)CH3
  104056.5238  0.0072 -5.3293 3  127.9580164  5951614042018 2 3    2017 4 3      C-13-H3C(O)CH3
  104061.3528  0.0029 -6.9556 3   67.0428132  59516140416 7 9 3    1510 6 3      C-13-H3C(O)CH3
  104062.3408  0.1148 -5.8974 3  847.5281444  595161404553421 3    553322 3      C-13-H3C(O)CH3
  104077.5870  0.0043 -4.8165 3  328.1971552 -595161404342213 1    342114 1      C-13-H3C(O)CH3
  104099.7063  0.0779 -5.4997 3  788.3476856  595161404533320 1    533221 1      C-13-H3C(O)CH3
  104106.1490  0.1255 -5.8975 3  847.5288444  595161404553421 4    553322 4      C-13-H3C(O)CH3
  104112.2581  0.0103 -7.8473 3   19.9470136  595161404 8 8 0 2     8 5 3 2      C-13-H3C(O)CH3
  104115.2105  0.0145 -5.1960 3  370.5948292  595161404362412 3    362313 3      C-13-H3C(O)CH3
  104123.3901  0.0041 -4.8163 3  328.2174552 -595161404342213 0    342114 0      C-13-H3C(O)CH3
  104152.1507  0.0160 -5.2000 3  370.5946292  595161404362412 4    362313 4      C-13-H3C(O)CH3
  104153.5025  0.0051 -5.1173 3  328.1728276  595161404342213 3    342114 3      C-13-H3C(O)CH3
  104159.7720  0.0049 -5.1171 3  328.1727276  595161404342213 4    342114 4      C-13-H3C(O)CH3
  104175.3623  0.0094 -4.8542 3  331.9550552 -595161404342311 2    342212 2      C-13-H3C(O)CH3
  104199.7807  0.0053 -5.1337 3  174.2647196  5951614042419 5 3    2418 6 3      C-13-H3C(O)CH3
  104204.4811  0.0044 -4.8159 3  328.1931552 -595161404342213 2    342114 2      C-13-H3C(O)CH3
  104209.1809  0.0066 -5.0275 3  128.0087328  5951614042018 2 1    2017 3 1      C-13-H3C(O)CH3
  104216.4081  0.1232 -5.4991 3  788.3414856  595161404533320 2    533221 2      C-13-H3C(O)CH3
  104216.7346  0.0186 -5.7829 3  215.3165440  5951614042720 8 2    2719 8 2      C-13-H3C(O)CH3
  104227.1646  0.0127 -4.8964 3  370.6136584 -595161404362412 2    362313 2      C-13-H3C(O)CH3
  104232.8476  0.0058 -5.1290 3  174.2123196  5951614042419 6 4    2418 7 4      C-13-H3C(O)CH3
  104240.9909  0.1034 -5.6981 3  908.8822920  595161404573522 1    573423 1      C-13-H3C(O)CH3
  104244.2936  0.1376 -5.6981 3  908.8809920  595161404573522 2    573423 2      C-13-H3C(O)CH3
  104244.9480  0.0067 -5.0269 3  127.9542328  5951614042018 3 2    2017 4 2      C-13-H3C(O)CH3
  104270.8489  0.0067 -5.0267 3  127.9406328  5951614042018 3 1    2017 4 1      C-13-H3C(O)CH3
  104285.4550  0.0215 -5.9340 3  215.2911220  5951614042720 8 3    2719 8 3      C-13-H3C(O)CH3
  104301.2174  0.0068 -5.1293 3  174.3061196  5951614042419 5 4    2418 6 4      C-13-H3C(O)CH3
  104301.8517  0.0033 -6.9612 3   67.0349132  59516140416 7 9 4    1510 6 4      C-13-H3C(O)CH3
  104317.4081  0.0061 -5.0270 3  128.0186328  5951614042018 2 2    2017 3 2      C-13-H3C(O)CH3
  104325.9775  0.0077 -7.6007 3  196.2540440  595161404271414 1    2617 9 1      C-13-H3C(O)CH3
  104331.8637  0.0054 -5.1329 3  174.2537196  5951614042419 6 3    2418 7 3      C-13-H3C(O)CH3
  104351.1040  0.0103 -6.9780 3   35.8939 92  59516140411 9 2 4    11 6 5 4      C-13-H3C(O)CH3
  104367.0231  0.0077 -7.5955 3  196.2486440  595161404271414 2    2617 9 2      C-13-H3C(O)CH3
  104369.1400  0.0022 -5.1031 3   79.4198148  59516140418 612 3    18 513 3      C-13-H3C(O)CH3
  104369.2525  0.0029 -5.1031 3   79.4198148  59516140418 612 4    18 513 4      C-13-H3C(O)CH3
  104369.7811  0.0022 -5.1031 3   79.4198148  59516140418 712 3    18 613 3      C-13-H3C(O)CH3
  104369.8865  0.0029 -5.1031 3   79.4198148  59516140418 712 4    18 613 4      C-13-H3C(O)CH3
  104385.1572  0.0038 -7.8797 3   11.8752 60  595161404 7 4 3 3     7 1 6 3      C-13-H3C(O)CH3
  104415.4560  0.0072 -7.5904 3  196.2586440  595161404271414 0    2617 9 0      C-13-H3C(O)CH3
  104424.7273  0.0051 -7.8793 3   11.8752 60  595161404 7 4 3 4     7 1 6 4      C-13-H3C(O)CH3
  104431.2197  0.0049 -4.8274 3  174.3005392 -5951614042419 5 1    2418 6 1      C-13-H3C(O)CH3
  104457.8177  0.0048 -4.8269 3  174.2483392 -5951614042419 6 1    2418 7 1      C-13-H3C(O)CH3
  104480.9658  0.0019 -6.0514 3    4.8234 44  595161404 5 3 2 3     4 2 3 3      C-13-H3C(O)CH3
  104484.2051  0.0049 -4.8269 3  174.2626392 -5951614042419 6 2    2418 7 2      C-13-H3C(O)CH3
  104491.9891  0.0024 -4.8005 3   79.3829296 -59516140418 612 2    18 513 2      C-13-H3C(O)CH3
  104492.6944  0.0024 -4.8005 3   79.3829296 -59516140418 712 2    18 613 2      C-13-H3C(O)CH3
  104493.2430  0.0043 -7.5701 3   11.8042120  595161404 7 4 3 2     7 1 6 2      C-13-H3C(O)CH3
  104501.0939  0.0023 -4.8007 3   79.3839296 -59516140418 612 1    18 513 1      C-13-H3C(O)CH3
  104501.7244  0.0023 -4.8007 3   79.3839296 -59516140418 712 1    18 613 1      C-13-H3C(O)CH3
  104522.7475  0.0026 -6.0533 3    4.8233 44  595161404 5 3 2 4     4 2 3 4      C-13-H3C(O)CH3
  104528.1965  0.0039 -4.8002 3  324.7307552 -595161404342114 0    342015 0      C-13-H3C(O)CH3
  104530.5234  0.0270 -7.1472 3  174.2537196  5951614042419 5 3    2418 7 3      C-13-H3C(O)CH3
  104532.1465  0.0070 -5.0254 3  128.0011328  5951614042018 2 0    2017 3 0      C-13-H3C(O)CH3
  104532.2771  0.0037 -4.8002 3  324.7103552 -595161404342114 1    342015 1      C-13-H3C(O)CH3
  104532.7431  0.0070 -5.0254 3  128.0011328  5951614042018 3 0    2017 4 0      C-13-H3C(O)CH3
  104535.8953  0.0078 -6.2822 3   27.6592168  59516140410 7 3 2     9 8 1 2      C-13-H3C(O)CH3
  104538.5709  0.0044 -7.5729 3   11.8047120  595161404 7 4 3 1     7 1 6 1      C-13-H3C(O)CH3
  104545.1658  0.0022 -5.7480 3    4.7501 88  595161404 5 3 2 2     4 2 3 2      C-13-H3C(O)CH3
  104569.8072  0.0022 -5.7488 3    4.7506 88  595161404 5 3 2 1     4 2 3 1      C-13-H3C(O)CH3
  104573.8787  0.0035 -4.7771 3  304.6524536 -595161404332014 0    331915 0      C-13-H3C(O)CH3
  104581.3342  0.0046 -4.8267 3  174.3040392 -5951614042419 5 2    2418 6 2      C-13-H3C(O)CH3
  104585.5021  0.0033 -4.7771 3  304.6328536 -595161404332014 1    331915 1      C-13-H3C(O)CH3
  104586.8625  0.0037 -4.7998 3  324.7044552 -595161404342114 2    342015 2      C-13-H3C(O)CH3
  104589.0580  0.0035 -5.1008 3  324.6840276  595161404342114 4    342015 4      C-13-H3C(O)CH3
  104589.7882  0.0037 -5.1008 3  324.6841276  595161404342114 3    342015 3      C-13-H3C(O)CH3
  104604.7894  0.0078 -6.2704 3   27.6587168  59516140410 7 3 1     9 8 1 1      C-13-H3C(O)CH3
  104609.8461  0.0034 -4.7769 3  304.6269536 -595161404332014 2    331915 2      C-13-H3C(O)CH3
  104613.4016  0.0023 -5.7455 3    4.6776 88  595161404 5 3 2 0     4 2 3 0      C-13-H3C(O)CH3
  104619.7314  0.0031 -5.0779 3  304.6071268  595161404332014 4    331915 4      C-13-H3C(O)CH3
  104620.9479  0.0032 -5.0779 3  304.6071268  595161404332014 3    331915 3      C-13-H3C(O)CH3
  104622.6410  0.1106 -5.9966 3  908.8604460  595161404573522 3    573423 3      C-13-H3C(O)CH3
  104623.6795  0.0022 -4.7991 3   79.3472296 -59516140418 612 0    18 513 0      C-13-H3C(O)CH3
  104624.3523  0.0022 -4.7991 3   79.3472296 -59516140418 712 0    18 613 0      C-13-H3C(O)CH3
  104627.3390  0.0042 -7.5646 3   11.7338120  595161404 7 4 3 0     7 1 6 0      C-13-H3C(O)CH3
  104628.0347  0.0078 -5.1535 3  215.2911220  5951614042720 7 3    2719 8 3      C-13-H3C(O)CH3
  104653.0014  0.1209 -5.9966 3  908.8609460  595161404573522 4    573423 4      C-13-H3C(O)CH3
  104678.5877  0.0052 -4.8257 3  174.2995392  5951614042419 5 0    2418 6 0      C-13-H3C(O)CH3
  104681.9327  0.1080 -5.7970 3  788.3217428  595161404533320 3    533221 3      C-13-H3C(O)CH3
  104724.8370  0.0022 -4.6918 3  183.6326424 -595161404261313 2    261214 2      C-13-H3C(O)CH3
  104726.1735  0.0024 -4.9931 3  183.6285212  595161404261313 3    261214 3      C-13-H3C(O)CH3
  104727.8122  0.0030 -4.9931 3  183.6285212  595161404261313 4    261214 4      C-13-H3C(O)CH3
  104743.1943  0.0052 -4.8252 3  174.2972392 -5951614042419 6 0    2418 7 0      C-13-H3C(O)CH3
  104744.8055  0.1182 -5.7974 3  788.3226428  595161404533320 4    533221 4      C-13-H3C(O)CH3
  104761.4803  0.0125 -5.1680 3  261.0023244  595161404302110 4    302011 4      C-13-H3C(O)CH3
  104765.9170  0.0021 -4.6913 3  183.6402424 -595161404261313 0    261214 0      C-13-H3C(O)CH3
  104767.7113  0.0023 -4.6916 3  183.6361424 -595161404261313 1    261214 1      C-13-H3C(O)CH3
  104839.7751  0.0070 -5.0947 3  215.3107220  5951614042720 7 4    2719 8 4      C-13-H3C(O)CH3
  104844.8061  0.0061 -5.0939 3  215.2457220  5951614042720 8 4    2719 9 4      C-13-H3C(O)CH3
  104872.7842  0.0027 -6.3849 3   31.2083 92  59516140411 6 6 4    10 7 3 4      C-13-H3C(O)CH3
  104873.3486  0.0048 -4.8057 3  215.3169440 -5951614042720 7 1    2719 8 1      C-13-H3C(O)CH3
  104878.4224  0.0072 -4.8490 3  261.0222488 -595161404302110 1    302011 1      C-13-H3C(O)CH3
  104896.0052  0.0171 -7.7593 3  112.2928328  5951614042012 8 2    1915 4 2      C-13-H3C(O)CH3
  104916.2516  0.0045 -4.7839 3  215.3281440  5951614042720 7 0    2719 8 0      C-13-H3C(O)CH3
  104932.7637  0.0094 -5.1230 3  261.0033244  595161404302110 3    302011 3      C-13-H3C(O)CH3
  104969.1982  0.0024 -5.1494 3   68.5716140  59516140417 512 3    17 413 3      C-13-H3C(O)CH3
  104969.3016  0.0031 -5.1494 3   68.5717140  59516140417 512 4    17 413 4      C-13-H3C(O)CH3
  104969.3333  0.0024 -5.1494 3   68.5716140  59516140417 612 3    17 513 3      C-13-H3C(O)CH3
  104969.4350  0.0031 -5.1494 3   68.5717140  59516140417 612 4    17 513 4      C-13-H3C(O)CH3
  105018.4050  0.0054 -4.8296 3  215.3165440 -5951614042720 7 2    2719 8 2      C-13-H3C(O)CH3
  105032.8248  0.0046 -4.8041 3  215.2736440 -5951614042720 8 1    2719 9 1      C-13-H3C(O)CH3
  105052.3389  0.0078 -5.1503 3  215.2655220  5951614042720 8 3    2719 9 3      C-13-H3C(O)CH3
  105061.8809  0.0670 -5.4028 3  731.2989824  595161404513219 0    513120 0      C-13-H3C(O)CH3
  105063.6943  0.0071 -7.7102 3   14.5478120  595161404 7 7 1 0     7 4 4 0      C-13-H3C(O)CH3
  105090.5211  0.0126 -7.8691 3  174.2483408  595161404251511 1    2418 7 1      C-13-H3C(O)CH3
  105105.7796  0.0030 -6.0623 3   31.1480184  59516140411 6 6 1    10 7 3 1      C-13-H3C(O)CH3
  105108.6141  0.0027 -4.8466 3   68.5279280 -59516140417 612 2    17 513 2      C-13-H3C(O)CH3
  105108.6141  0.0027 -4.8466 3   68.5279280 -59516140417 512 2    17 413 2      C-13-H3C(O)CH3
  105115.4411  0.0026 -4.8468 3   68.5286280 -59516140417 512 1    17 413 1      C-13-H3C(O)CH3
  105115.4411  0.0026 -4.8468 3   68.5286280 -59516140417 612 1    17 513 1      C-13-H3C(O)CH3
  105126.8402  0.0036 -6.0577 3   31.1461184  59516140411 6 6 2    10 7 3 2      C-13-H3C(O)CH3
  105139.9806  0.0055 -4.8281 3  215.2857440 -5951614042720 8 2    2719 9 2      C-13-H3C(O)CH3
  105157.3150  0.0065 -4.7984 3  261.0255488 -595161404302110 2    302011 2      C-13-H3C(O)CH3
  105157.7535  0.0064 -4.7992 3  320.9004552 -595161404341915 2    341816 2      C-13-H3C(O)CH3
  105175.8472  0.0040 -6.3593 3   31.1985 92  59516140411 6 6 3    10 7 3 3      C-13-H3C(O)CH3
  105198.9639  0.0046 -4.8033 3  311.4837536 -595161404332212 1    332113 1      C-13-H3C(O)CH3
  105209.3966  0.0039 -4.7779 3  261.0446488 -595161404302110 0    302011 0      C-13-H3C(O)CH3
  105213.6348  0.0015 -6.0478 3   31.0907184  59516140411 6 6 0    10 7 3 0      C-13-H3C(O)CH3
  105219.1332  0.0050 -4.7989 3  320.9283552 -595161404341915 0    341816 0      C-13-H3C(O)CH3
  105235.3276  0.0083 -5.0998 3  320.8794276  595161404341915 3    341816 3      C-13-H3C(O)CH3
  105240.3037  0.0073 -5.0997 3  320.8795276  595161404341915 4    341816 4      C-13-H3C(O)CH3
  105242.4997  0.0059 -5.1060 3  311.4613268  595161404332212 3    332113 3      C-13-H3C(O)CH3
  105254.4941  0.0025 -4.8451 3   68.4850280 -59516140417 612 0    17 513 0      C-13-H3C(O)CH3
  105254.4941  0.0025 -4.8451 3   68.4850280 -59516140417 512 0    17 413 0      C-13-H3C(O)CH3
  105266.0968  0.0056 -5.1032 3  311.4613268  595161404332212 4    332113 4      C-13-H3C(O)CH3
  105278.4082  0.0066 -6.0363 3   27.5789168  59516140410 7 3 0     9 8 2 0      C-13-H3C(O)CH3
  105285.4413  0.0027 -4.9887 3  183.6305212  595161404261413 4    261314 4      C-13-H3C(O)CH3
  105285.6712  0.0022 -4.9887 3  183.6305212  595161404261413 3    261314 3      C-13-H3C(O)CH3
  105297.0249  0.0064 -4.7984 3  320.9073552 -595161404341915 1    341816 1      C-13-H3C(O)CH3
  105297.6028  0.0040 -4.8020 3  311.5043536 -595161404332212 0    332113 0      C-13-H3C(O)CH3
  105298.1637  0.0021 -4.6873 3  183.6346424 -595161404261413 2    261314 2      C-13-H3C(O)CH3
  105319.8415  0.0179 -7.7489 3  112.2890328  5951614042012 8 1    1915 4 1      C-13-H3C(O)CH3
  105325.5590  0.0021 -4.6873 3  183.6381424 -595161404261413 1    261314 1      C-13-H3C(O)CH3
  105329.3777  0.0017 -7.2148 3    8.3098 52  595161404 6 4 2 4     5 3 2 4      C-13-H3C(O)CH3
  105337.4793  0.0079 -5.4703 3  118.5053156  5951614041918 2 3    1917 2 3      C-13-H3C(O)CH3
  105338.1131  0.0020 -4.6868 3  183.6423424 -595161404261413 0    261314 0      C-13-H3C(O)CH3
  105349.8804  0.0147 -7.4502 3  112.2619328  5951614042012 8 0    1915 5 0      C-13-H3C(O)CH3
  105351.9575  0.0120 -7.2447 3   34.1535 92  59516140411 8 4 4    10 9 1 4      C-13-H3C(O)CH3
  105354.8611  0.0043 -4.8023 3  311.4820536 -595161404332212 2    332113 2      C-13-H3C(O)CH3
  105381.6310  0.0022 -7.5545 3    8.2374104  595161404 6 4 2 2     5 3 2 2      C-13-H3C(O)CH3
  105383.7488  0.0019 -7.4621 3    8.2387104  595161404 6 4 2 1     5 3 2 1      C-13-H3C(O)CH3
  105391.2177  0.0089 -5.4705 3  118.5754156  5951614041918 1 4    1917 2 4      C-13-H3C(O)CH3
  105394.9186  0.0212 -5.9249 3  215.2655220  5951614042720 7 3    2719 9 3      C-13-H3C(O)CH3
  105421.1665  0.0080 -5.4695 3  118.4342156  5951614041918 2 4    1917 3 4      C-13-H3C(O)CH3
  105464.3860  0.0044 -4.7796 3  215.3079440 -5951614042720 8 0    2719 9 0      C-13-H3C(O)CH3
  105466.5291  0.0027 -5.2143 3   58.3144132  59516140416 412 3    16 313 3      C-13-H3C(O)CH3
  105466.5535  0.0027 -5.2143 3   58.3144132  59516140416 512 3    16 413 3      C-13-H3C(O)CH3
  105466.6391  0.0033 -5.2143 3   58.3144132  59516140416 412 4    16 313 4      C-13-H3C(O)CH3
  105466.6631  0.0033 -5.2143 3   58.3144132  59516140416 512 4    16 413 4      C-13-H3C(O)CH3
  105474.6610  0.0081 -5.4696 3  118.5042156  5951614041918 1 3    1917 3 3      C-13-H3C(O)CH3
  105550.7707  0.0611 -5.4000 3  731.2805824  595161404513219 1    513120 1      C-13-H3C(O)CH3
  105574.2613  0.0031 -4.7510 3  285.1345520 -595161404321914 0    321815 0      C-13-H3C(O)CH3
  105591.5540  0.0031 -4.7510 3  285.1158520 -595161404321914 1    321815 1      C-13-H3C(O)CH3
  105591.5540  0.0031 -4.7509 3  285.1101520 -595161404321914 2    321815 2      C-13-H3C(O)CH3
  105599.2047  0.0246 -7.5502 3  573.0152728  595161404452917 1    452817 1      C-13-H3C(O)CH3
  105607.4257  0.0030 -5.0519 3  285.0914260  595161404321914 4    321815 4      C-13-H3C(O)CH3
  105608.7617  0.0030 -5.0519 3  285.0914260  595161404321914 3    321815 3      C-13-H3C(O)CH3
  105609.0239  0.0128 -6.1079 3  261.0033244  5951614043021 9 3    302011 3      C-13-H3C(O)CH3
  105616.8962  0.0090 -6.8879 3   27.6755 84  59516140410 7 3 3     9 8 1 3      C-13-H3C(O)CH3
  105621.7295  0.0030 -4.9114 3   58.2635264 -59516140416 512 2    16 413 2      C-13-H3C(O)CH3
  105621.7295  0.0030 -4.9114 3   58.2635264 -59516140416 412 2    16 313 2      C-13-H3C(O)CH3
  105626.6289  0.0030 -4.9116 3   58.2641264 -59516140416 412 1    16 313 1      C-13-H3C(O)CH3
  105626.6289  0.0030 -4.9116 3   58.2641264 -59516140416 512 1    16 413 1      C-13-H3C(O)CH3
  105634.8228  0.0074 -5.1678 3  118.5570312  5951614041918 1 1    1917 2 1      C-13-H3C(O)CH3
  105673.0110  0.0078 -5.1672 3  118.4989312  5951614041918 2 2    1917 3 2      C-13-H3C(O)CH3
  105694.1662  0.0065 -6.1183 3  261.0255488  5951614043021 9 2    302011 2      C-13-H3C(O)CH3
  105715.0823  0.0042 -4.8186 3  345.3570568 -595161404352214 1    352115 1      C-13-H3C(O)CH3
  105716.8468  0.0077 -5.1669 3  118.4859312  5951614041918 2 1    1917 3 1      C-13-H3C(O)CH3
  105717.3648  0.0042 -4.8186 3  345.3778568 -595161404352214 0    352115 0      C-13-H3C(O)CH3
  105728.2591  0.0069 -5.1673 3  118.5689312  5951614041918 1 2    1917 2 2      C-13-H3C(O)CH3
  105731.8472  0.1041 -5.3991 3  731.2728824  595161404513219 2    513120 2      C-13-H3C(O)CH3
  105739.7815  0.0092 -5.6070 3  261.0222488  5951614043021 9 1    302011 1      C-13-H3C(O)CH3
  105781.4942  0.0029 -4.9097 3   58.2133264 -59516140416 512 0    16 413 0      C-13-H3C(O)CH3
  105781.4942  0.0029 -4.9097 3   58.2133264 -59516140416 412 0    16 313 0      C-13-H3C(O)CH3
  105796.3385  0.0042 -5.1191 3  345.3308284  595161404352214 4    352115 4      C-13-H3C(O)CH3
  105797.2033  0.0044 -5.1191 3  345.3309284  595161404352214 3    352115 3      C-13-H3C(O)CH3
  105800.8271  0.0043 -4.8181 3  345.3516568 -595161404352214 2    352115 2      C-13-H3C(O)CH3
  105823.6541  0.0104 -6.4720 3   27.6686 84  59516140410 7 3 3     9 8 2 3      C-13-H3C(O)CH3
  105826.2996  0.0013 -5.2135 3   14.6790 68  595161404 8 3 5 3     7 4 4 3      C-13-H3C(O)CH3
  105841.3271  0.0162 -5.8187 3  261.0023244  5951614043021 9 4    302011 4      C-13-H3C(O)CH3
  105847.2634  0.0014 -5.2133 3   14.6785 68  595161404 8 3 5 4     7 4 4 4      C-13-H3C(O)CH3
  105858.2772  0.0015 -4.9132 3   14.6129136 -595161404 8 3 5 2     7 4 4 2      C-13-H3C(O)CH3
  105872.2153  0.0015 -4.9125 3   14.6135136 -595161404 8 3 5 1     7 4 4 1      C-13-H3C(O)CH3
  105875.6027  0.0453 -7.1930 3  573.0076728  595161404452917 2    452817 2      C-13-H3C(O)CH3
  105875.8756  0.0029 -5.3079 3   48.6503124  59516140415 312 3    15 213 3      C-13-H3C(O)CH3
  105875.8792  0.0029 -5.3079 3   48.6503124  59516140415 412 3    15 313 3      C-13-H3C(O)CH3
  105876.0042  0.0036 -5.3079 3   48.6503124  59516140415 312 4    15 213 4      C-13-H3C(O)CH3
  105876.0077  0.0036 -5.3079 3   48.6503124  59516140415 412 4    15 313 4      C-13-H3C(O)CH3
  105893.6574  0.0015 -4.9133 3   14.5478136 -595161404 8 3 5 0     7 4 4 0      C-13-H3C(O)CH3
  105908.3649  0.0030 -7.8571 3  291.9369520  595161404322111 1    322013 1      C-13-H3C(O)CH3
  105941.6829  0.0184 -5.7697 3  215.2857440  5951614042720 7 2    2719 9 2      C-13-H3C(O)CH3
  105971.5353  0.0079 -5.1657 3  118.5505312  5951614041918 1 0    1917 2 0      C-13-H3C(O)CH3
  105971.5913  0.0079 -5.1657 3  118.5505312  5951614041918 2 0    1917 3 0      C-13-H3C(O)CH3
  105981.9078  0.0403 -7.0881 3  572.9929364  595161404452917 4    452817 4      C-13-H3C(O)CH3
  106046.2624  0.0035 -5.0048 3   48.5920248  59516140415 312 2    15 213 2      C-13-H3C(O)CH3
  106046.2662  0.0035 -5.0048 3   48.5920248  59516140415 412 2    15 313 2      C-13-H3C(O)CH3
  106049.4678  0.0035 -5.0050 3   48.5926248  59516140415 312 1    15 213 1      C-13-H3C(O)CH3
  106049.4714  0.0035 -5.0050 3   48.5926248  59516140415 412 1    15 313 1      C-13-H3C(O)CH3
  106068.3841  0.1185 -5.7963 3  972.3434952  595161404593623 0    593524 0      C-13-H3C(O)CH3
  106170.9906  0.0167 -6.0845 3  215.2736440  5951614042720 7 1    2719 9 1      C-13-H3C(O)CH3
  106176.9586  0.0942 -5.6969 3  731.2541412  595161404513219 3    513120 3      C-13-H3C(O)CH3
  106209.7698  0.0032 -5.4530 3   39.5811116  59516140414 212 3    14 113 3      C-13-H3C(O)CH3
  106209.7702  0.0032 -5.4530 3   39.5811116  59516140414 312 3    14 213 3      C-13-H3C(O)CH3
  106209.9268  0.0038 -5.4530 3   39.5811116  59516140414 212 4    14 113 4      C-13-H3C(O)CH3
  106209.9272  0.0038 -5.4530 3   39.5811116  59516140414 312 4    14 213 4      C-13-H3C(O)CH3
  106219.4831  0.0034 -5.0030 3   48.5344248  59516140415 312 0    15 213 0      C-13-H3C(O)CH3
  106219.4869  0.0034 -5.0030 3   48.5344248  59516140415 412 0    15 313 0      C-13-H3C(O)CH3
  106265.7583  0.1036 -5.6979 3  731.2552412  595161404513219 4    513120 4      C-13-H3C(O)CH3
  106317.2124  0.1240 -5.7946 3  972.3252952  595161404593623 2    593524 2      C-13-H3C(O)CH3
  106348.3256  0.1072 -5.7944 3  972.3235952  595161404593623 1    593524 1      C-13-H3C(O)CH3
  106394.6234  0.0040 -5.1498 3   39.5155232  59516140414 212 2    14 113 2      C-13-H3C(O)CH3
  106394.6238  0.0040 -5.1498 3   39.5155232  59516140414 312 2    14 213 2      C-13-H3C(O)CH3
  106396.3717  0.0040 -5.1500 3   39.5160232  59516140414 212 1    14 113 1      C-13-H3C(O)CH3
  106396.3721  0.0040 -5.1500 3   39.5160232  59516140414 312 1    14 213 1      C-13-H3C(O)CH3
  106407.4657  0.0105 -6.3982 3   27.5967168  59516140410 7 3 2     9 8 2 2      C-13-H3C(O)CH3
  106435.5322  0.0031 -5.2324 3   15.6292136  595161404 8 4 4 0     7 5 3 0      C-13-H3C(O)CH3
  106479.0737  0.0035 -5.7231 3   31.1088108  59516140413 212 3    13 113 3      C-13-H3C(O)CH3
  106479.0737  0.0035 -5.7231 3   31.1088108  59516140413 112 3    13 013 3      C-13-H3C(O)CH3
  106479.2676  0.0041 -5.7231 3   31.1088108  59516140413 212 4    13 113 4      C-13-H3C(O)CH3
  106479.2676  0.0041 -5.7231 3   31.1088108  59516140413 112 4    13 013 4      C-13-H3C(O)CH3
  106487.8015  0.0071 -6.6358 3   43.2367200  5951614041210 3 0    1111 0 0      C-13-H3C(O)CH3
  106495.2761  0.0039 -5.2330 3   15.6905136 -595161404 8 4 4 2     7 5 3 2      C-13-H3C(O)CH3
  106497.0640  0.0090 -7.8165 3  412.8415332  595161404411427 3    401724 3      C-13-H3C(O)CH3
  106497.0663  0.0090 -7.8165 3  412.8415332  595161404411527 3    401624 3      C-13-H3C(O)CH3
  106497.1433  0.0090 -7.8164 3  412.8415332  595161404411427 4    401724 4      C-13-H3C(O)CH3
  106497.1456  0.0090 -7.8164 3  412.8415332  595161404411527 4    401624 4      C-13-H3C(O)CH3
  106508.6010  0.0093 -7.5153 3  412.8706664  595161404411427 1    401724 1      C-13-H3C(O)CH3
  106508.6031  0.0093 -7.5153 3  412.8706664  595161404411527 1    401624 1      C-13-H3C(O)CH3
  106518.1268  0.0088 -5.7376 3  109.5617148  5951614041818 1 3    1817 2 3      C-13-H3C(O)CH3
  106521.3187  0.0036 -5.5284 3   15.7546 68  595161404 8 4 4 3     7 5 3 3      C-13-H3C(O)CH3
  106526.1065  0.0093 -7.5130 3  412.8686664  595161404411427 2    401724 2      C-13-H3C(O)CH3
  106526.1087  0.0093 -7.5130 3  412.8686664  595161404411527 2    401624 2      C-13-H3C(O)CH3
  106533.1236  0.0553 -5.8742 3  843.9746444  595161404553322 3    553223 3      C-13-H3C(O)CH3
  106537.5790  0.0079 -7.5132 3  412.8975664  595161404411427 0    401724 0      C-13-H3C(O)CH3
  106537.5810  0.0079 -7.5132 3  412.8975664  595161404411527 0    401624 0      C-13-H3C(O)CH3
  106541.8054  0.0269 -6.0932 3  246.4085236  5951614042921 9 4    2920 9 4      C-13-H3C(O)CH3
  106544.2989  0.0057 -5.1643 3  162.7578188  5951614042319 4 3    2318 5 3      C-13-H3C(O)CH3
  106545.9479  0.0531 -5.8742 3  843.9748444  595161404553322 4    553223 4      C-13-H3C(O)CH3
  106554.6226  0.0097 -5.7378 3  109.6370148  5951614041818 0 4    1817 1 4      C-13-H3C(O)CH3
  106561.9117  0.0561 -5.7254 3  754.3959420  595161404523121 3    523022 3      C-13-H3C(O)CH3
  106564.2197  0.0060 -7.2516 3  287.0721552  595161404341222 0    331519 0      C-13-H3C(O)CH3
  106564.6220  0.0060 -7.2516 3  287.0721552  595161404341322 0    331419 0      C-13-H3C(O)CH3
  106571.2528  0.0035 -5.2314 3   15.6901136 -595161404 8 4 4 1     7 5 3 1      C-13-H3C(O)CH3
  106572.3106  0.0540 -5.7254 3  754.3961420  595161404523121 4    523022 4      C-13-H3C(O)CH3
  106574.2184  0.0071 -7.2547 3  287.0508552  595161404341222 1    331519 1      C-13-H3C(O)CH3
  106574.6203  0.0071 -7.2547 3  287.0508552  595161404341322 1    331419 1      C-13-H3C(O)CH3
  106576.2026  0.0073 -6.6347 3   43.3030200  5951614041210 2 2    1111 0 2      C-13-H3C(O)CH3
  106580.8184  0.0040 -5.1478 3   39.4505232  59516140414 212 0    14 113 0      C-13-H3C(O)CH3
  106580.8189  0.0040 -5.1478 3   39.4505232  59516140414 312 0    14 213 0      C-13-H3C(O)CH3
  106593.1233  0.0071 -6.6348 3   43.2367200  5951614041210 2 0    1111 1 0      C-13-H3C(O)CH3
  106596.8244  0.0918 -6.0937 3  972.3052476  595161404593623 3    593524 3      C-13-H3C(O)CH3
  106597.9495  0.0061 -5.1634 3  162.7013188  5951614042319 5 4    2318 6 4      C-13-H3C(O)CH3
  106603.7827  0.0070 -7.2518 3  287.0480552  595161404341222 2    331519 2      C-13-H3C(O)CH3
  106604.2051  0.0070 -7.2518 3  287.0480552  595161404341322 2    331419 2      C-13-H3C(O)CH3
  106613.7586  0.0067 -7.5559 3  287.0267276  595161404341222 3    331519 3      C-13-H3C(O)CH3
  106613.8306  0.0069 -7.5559 3  287.0267276  595161404341222 4    331519 4      C-13-H3C(O)CH3
  106614.1811  0.0067 -7.5559 3  287.0267276  595161404341322 3    331419 3      C-13-H3C(O)CH3
  106614.2510  0.0069 -7.5559 3  287.0267276  595161404341322 4    331419 4      C-13-H3C(O)CH3
  106617.8087  0.1008 -6.0937 3  972.3056476  595161404593623 4    593524 4      C-13-H3C(O)CH3
  106620.0082  0.0090 -5.7366 3  109.4881148  5951614041818 1 4    1817 2 4      C-13-H3C(O)CH3
  106626.3469  0.0073 -5.1640 3  162.8062188  5951614042319 4 4    2318 5 4      C-13-H3C(O)CH3
  106643.1209  0.0538 -5.5730 3  843.9912888  595161404553322 2    553223 2      C-13-H3C(O)CH3
  106656.6021  0.0091 -5.7368 3  109.5632148  5951614041818 0 3    1817 1 3      C-13-H3C(O)CH3
  106658.0834  0.0090 -6.4104 3   27.5902168  59516140410 7 3 1     9 8 2 1      C-13-H3C(O)CH3
  106677.6231  0.0046 -5.4198 3   31.0358216  59516140413 112 2    13 013 2      C-13-H3C(O)CH3
  106677.6232  0.0046 -5.4198 3   31.0358216  59516140413 212 2    13 113 2      C-13-H3C(O)CH3
  106677.8207  0.0463 -5.5729 3  843.9941888  595161404553322 1    553223 1      C-13-H3C(O)CH3
  106678.1105  0.0046 -5.4200 3   31.0363216  59516140413 112 1    13 013 1      C-13-H3C(O)CH3
  106678.1106  0.0046 -5.4200 3   31.0363216  59516140413 212 1    13 113 1      C-13-H3C(O)CH3
  106678.5220  0.0059 -5.1636 3  162.7497188  5951614042319 5 3    2318 6 3      C-13-H3C(O)CH3
  106679.9745  0.0092 -6.6712 3   34.0785184  59516140411 8 4 1    10 9 1 1      C-13-H3C(O)CH3
  106699.3671  0.0021 -4.9797 3  168.1058204  595161404251213 3    251114 3      C-13-H3C(O)CH3
  106700.2615  0.0028 -4.9797 3  168.1059204  595161404251213 4    251114 4      C-13-H3C(O)CH3
  106706.5602  0.0092 -6.6377 3   34.0801184  59516140411 8 4 2    10 9 1 2      C-13-H3C(O)CH3
  106720.9024  0.0021 -4.6782 3  168.1060408 -595161404251213 2    251114 2      C-13-H3C(O)CH3
  106722.9508  0.0076 -6.6331 3   43.2971200  5951614041210 2 1    1111 0 1      C-13-H3C(O)CH3
  106728.6802  0.0541 -5.4238 3  754.4125840  595161404523121 2    523022 2      C-13-H3C(O)CH3
  106736.9555  0.0036 -5.5369 3   15.7484 68  595161404 8 4 4 4     7 5 3 4      C-13-H3C(O)CH3
  106752.6732  0.0021 -4.6781 3  168.1090408 -595161404251213 1    251114 1      C-13-H3C(O)CH3
  106757.9977  0.0096 -6.9330 3   43.3636100  5951614041210 2 4    1111 0 4      C-13-H3C(O)CH3
  106760.7673  0.0160 -7.7320 3  112.2306328  5951614042012 8 2    1915 5 2      C-13-H3C(O)CH3
  106768.6217  0.0034 -4.7154 3  247.7359488 -595161404301614 2    301515 2      C-13-H3C(O)CH3
  106770.7264  0.0127 -7.8492 3  561.0652776  595161404481632 1    471829 1      C-13-H3C(O)CH3
  106770.7264  0.0127 -7.8492 3  561.0652776  595161404481732 1    471929 1      C-13-H3C(O)CH3
  106773.8804  0.0020 -4.6776 3  168.1091408 -595161404251213 0    251114 0      C-13-H3C(O)CH3
  106778.4905  0.0133 -7.8464 3  561.0641776  595161404481732 2    471829 2      C-13-H3C(O)CH3
  106778.4905  0.0133 -7.8464 3  561.0641776  595161404481632 2    471929 2      C-13-H3C(O)CH3
  106788.5793  0.0271 -6.7358 3  215.2457220  5951614042720 7 4    2719 9 4      C-13-H3C(O)CH3
  106790.6209  0.0459 -5.5726 3  844.0105888  595161404553322 0    553223 0      C-13-H3C(O)CH3
  106791.4593  0.0055 -4.8618 3  162.7986376 -5951614042319 4 1    2318 5 1      C-13-H3C(O)CH3
  106796.1334  0.0029 -4.7151 3  247.7563488 -595161404301614 0    301515 0      C-13-H3C(O)CH3
  106797.6211  0.0359 -5.4235 3  754.4178840  595161404523121 1    523022 1      C-13-H3C(O)CH3
  106819.7178  0.0043 -5.0162 3  247.7206244  595161404301614 3    301515 3      C-13-H3C(O)CH3
  106822.9824  0.0042 -5.0162 3  247.7206244  595161404301614 4    301515 4      C-13-H3C(O)CH3
  106824.1445  0.0083 -5.4350 3  109.6181296  5951614041818 0 1    1817 1 1      C-13-H3C(O)CH3
  106841.0489  0.0105 -7.8088 3  561.0872776  595161404481732 0    471829 0      C-13-H3C(O)CH3
  106841.0489  0.0105 -7.8088 3  561.0872776  595161404481632 0    471929 0      C-13-H3C(O)CH3
  106841.4051  0.0054 -4.8612 3  162.7568376 -5951614042319 5 2    2318 6 2      C-13-H3C(O)CH3
  106842.0089  0.0054 -4.8612 3  162.7423376 -5951614042319 5 1    2318 6 1      C-13-H3C(O)CH3
  106847.7000  0.0035 -4.7149 3  247.7410488 -595161404301614 1    301515 1      C-13-H3C(O)CH3
  106865.2735  0.0090 -5.4344 3  109.5565296  5951614041818 1 2    1817 2 2      C-13-H3C(O)CH3
  106876.1800  0.0046 -5.4177 3   30.9634216 -59516140413 112 0    13 013 0      C-13-H3C(O)CH3
  106876.1800  0.0046 -5.4177 3   30.9634216 -59516140413 212 0    13 113 0      C-13-H3C(O)CH3
  106903.2221  0.0078 -5.4346 3  109.6318296  5951614041818 0 2    1817 1 2      C-13-H3C(O)CH3
  106913.5267  0.0021 -4.9781 3  168.1065204  595161404251313 3    251214 3      C-13-H3C(O)CH3
  106913.5356  0.0026 -4.9781 3  168.1065204  595161404251313 4    251214 4      C-13-H3C(O)CH3
  106924.7585  0.0051 -4.8612 3  162.8052376 -5951614042319 4 2    2318 5 2      C-13-H3C(O)CH3
  106924.8197  0.0088 -5.4341 3  109.5444296  5951614041818 1 1    1817 2 1      C-13-H3C(O)CH3
  106935.1226  0.0070 -6.6314 3   43.2234200  5951614041210 3 2    1111 1 2      C-13-H3C(O)CH3
  106940.9916  0.0020 -4.6765 3  168.1067408 -595161404251313 2    251214 2      C-13-H3C(O)CH3
  106950.4190  0.0188 -7.3861 3  202.2474424  5951614042620 7 1    2619 7 1      C-13-H3C(O)CH3
  106965.9405  0.0355 -5.4229 3  754.4341840  595161404523121 0    523022 0      C-13-H3C(O)CH3
  106966.2651  0.0020 -4.6765 3  168.1096408 -595161404251313 1    251214 1      C-13-H3C(O)CH3
  106972.0738  0.0149 -5.6322 3  246.4232472  5951614042921 9 1    2920 9 1      C-13-H3C(O)CH3
  106993.7377  0.0020 -4.6759 3  168.1098408 -595161404251313 0    251214 0      C-13-H3C(O)CH3
  106997.9685  0.0073 -6.6311 3   43.2132200  5951614041210 3 1    1111 1 1      C-13-H3C(O)CH3
  107022.3637  0.0088 -6.9557 3   43.2795100  5951614041210 3 3    1111 1 3      C-13-H3C(O)CH3
  107082.7330  0.0059 -4.8600 3  162.7978376  5951614042319 4 0    2318 5 0      C-13-H3C(O)CH3
  107094.3268  0.0059 -4.8599 3  162.7974376 -5951614042319 5 0    2318 6 0      C-13-H3C(O)CH3
  107124.2172  0.0487 -5.3046 3  676.3802792  595161404493118 0    493019 0      C-13-H3C(O)CH3
  107125.9959  0.0094 -4.8594 3  380.6958600 -595161404372116 2    372017 2      C-13-H3C(O)CH3
  107133.1717  0.0081 -6.9541 3   43.2838100  5951614041210 2 3    1111 0 3      C-13-H3C(O)CH3
  107172.8798  0.0088 -5.4329 3  109.6129296  5951614041818 0 0    1817 1 0      C-13-H3C(O)CH3
  107172.8833  0.0088 -5.4329 3  109.6129296  5951614041818 1 0    1817 2 0      C-13-H3C(O)CH3
  107177.7671  0.0114 -5.1600 3  380.6731300  595161404372116 3    372017 3      C-13-H3C(O)CH3
  107182.7054  0.0104 -5.1600 3  380.6731300  595161404372116 4    372017 4      C-13-H3C(O)CH3
  107188.8484  0.0466 -5.5851 3  669.7398396  595161404492920 3    492821 3      C-13-H3C(O)CH3
  107192.5844  0.0028 -4.7239 3  266.1729504 -595161404311814 0    311715 0      C-13-H3C(O)CH3
  107194.9396  0.0029 -4.7239 3  266.1504504 -595161404311814 2    311715 2      C-13-H3C(O)CH3
  107196.8976  0.0454 -5.5850 3  669.7400396  595161404492920 4    492821 4      C-13-H3C(O)CH3
  107211.5294  0.0028 -4.7239 3  266.1556504 -595161404311814 1    311715 1      C-13-H3C(O)CH3
  107212.9072  0.0031 -5.0249 3  266.1330252  595161404311814 4    311715 4      C-13-H3C(O)CH3
  107213.9724  0.0029 -5.0249 3  266.1330252  595161404311814 3    311715 3      C-13-H3C(O)CH3
  107219.2585  0.0199 -5.8431 3  246.4012236  5951614042921 9 3    2920 9 3      C-13-H3C(O)CH3
  107234.0795  0.0065 -4.8588 3  380.7259600 -595161404372116 0    372017 0      C-13-H3C(O)CH3
  107254.4470  0.0045 -7.0086 3  183.6423440  595161404271017 0    261314 0      C-13-H3C(O)CH3
  107271.8060  0.0051 -7.0125 3  183.6381440  595161404271017 1    261314 1      C-13-H3C(O)CH3
  107286.1006  0.0082 -4.8584 3  380.7033600 -595161404372116 1    372017 1      C-13-H3C(O)CH3
  107315.8931  0.0051 -7.0093 3  183.6346440  595161404271017 2    261314 2      C-13-H3C(O)CH3
  107316.3529  0.0045 -7.0081 3  183.6402440  595161404271117 0    261214 0      C-13-H3C(O)CH3
  107331.9936  0.0051 -7.0120 3  183.6361440  595161404271117 1    261214 1      C-13-H3C(O)CH3
  107333.0515  0.0055 -7.3143 3  183.6305220  595161404271017 4    261314 4      C-13-H3C(O)CH3
  107333.2900  0.0048 -7.3143 3  183.6305220  595161404271017 3    261314 3      C-13-H3C(O)CH3
  107356.6552  0.0213 -7.0972 3  202.2497424  5951614042620 7 2    2619 7 2      C-13-H3C(O)CH3
  107356.9624  0.0451 -5.2834 3  669.7572792  595161404492920 2    492821 2      C-13-H3C(O)CH3
  107378.2088  0.0051 -7.0088 3  183.6326440  595161404271117 2    261214 2      C-13-H3C(O)CH3
  107392.7228  0.0081 -6.9278 3   43.1999100  5951614041210 3 4    1111 1 4      C-13-H3C(O)CH3
  107393.4505  0.0055 -7.3138 3  183.6285220  595161404271117 4    261214 4      C-13-H3C(O)CH3
  107393.9550  0.0048 -7.3138 3  183.6285220  595161404271117 3    261214 3      C-13-H3C(O)CH3
  107429.9679  0.0155 -5.4114 3  246.4239472  5951614042921 9 2    2920 9 2      C-13-H3C(O)CH3
  107440.0180  0.0163 -7.7236 3  112.2183328  5951614042012 8 1    1915 5 1      C-13-H3C(O)CH3
  107467.3462  0.0251 -5.2829 3  669.7641792  595161404492920 1    492821 1      C-13-H3C(O)CH3
  107572.6138  0.0453 -5.3023 3  676.3630792  595161404493118 1    493019 1      C-13-H3C(O)CH3
  107578.1043  0.0493 -5.7286 3  938.4799936  595161404583523 2    583424 2      C-13-H3C(O)CH3
  107580.4580  0.0410 -6.0292 3  938.4623468  595161404583523 3    583424 3      C-13-H3C(O)CH3
  107594.8543  0.0405 -6.0291 3  938.4626468  595161404583523 4    583424 4      C-13-H3C(O)CH3
  107600.3528  0.0623 -5.7284 3  938.4793936  595161404583523 1    583424 1      C-13-H3C(O)CH3
  107601.5415  0.0649 -5.7288 3  938.4967936  595161404583523 0    583424 0      C-13-H3C(O)CH3
  107622.3446  0.0098 -5.1569 3  246.4012236  5951614042921 8 3    2920 9 3      C-13-H3C(O)CH3
  107635.7474  0.0257 -5.2822 3  669.7813792  595161404492920 0    492821 0      C-13-H3C(O)CH3
  107715.2325  0.0164 -7.8442 3  222.6639456  595161404281810 0    2721 7 0      C-13-H3C(O)CH3
  107727.0499  0.0055 -6.0929 3   34.0059184  59516140411 8 4 0    10 9 1 0      C-13-H3C(O)CH3
  107758.0473  0.0267 -6.6759 3  202.2147212  5951614042620 7 3    2619 7 3      C-13-H3C(O)CH3
  107813.0820  0.0830 -5.3013 3  676.3545792  595161404493118 2    493019 2      C-13-H3C(O)CH3
  107822.1359  0.0046 -4.7730 3  246.4415472 -5951614042921 8 0    2920 9 0      C-13-H3C(O)CH3
  107825.1514  0.0058 -4.8383 3  246.4232472 -5951614042921 8 1    2920 9 1      C-13-H3C(O)CH3
  107858.5307  0.0080 -5.1182 3  246.4085236  5951614042921 8 4    2920 9 4      C-13-H3C(O)CH3
  107862.1629  0.0158 -7.6647 3  162.7974392  5951614042415 9 0    2318 6 0      C-13-H3C(O)CH3
  107902.7585  0.0088 -4.8867 3  246.4239472 -5951614042921 8 2    2920 9 2      C-13-H3C(O)CH3
  107936.5092  0.0340 -5.4558 3  590.0223372  595161404462719 3    462620 3      C-13-H3C(O)CH3
  107942.8674  0.0338 -5.4557 3  590.0224372  595161404462719 4    462620 4      C-13-H3C(O)CH3
  107979.0501  0.0094 -6.8164 3   27.6065 84  59516140410 7 3 4     9 8 2 4      C-13-H3C(O)CH3
  107986.5143  0.0012 -4.9824 3   16.7007 76 -595161404 9 2 7 3     8 3 6 3      C-13-H3C(O)CH3
  107986.8265  0.0012 -4.9824 3   16.7007 76 -595161404 9 2 7 4     8 3 6 4      C-13-H3C(O)CH3
  107990.9392  0.0033 -6.7573 3  102.6657328  59516140420 812 0    1911 9 0      C-13-H3C(O)CH3
  107999.8039  0.0036 -6.7620 3  102.6863328  59516140420 812 1    1911 9 1      C-13-H3C(O)CH3
  108004.3449  0.0055 -5.1015 3  202.2147212  5951614042620 6 3    2619 7 3      C-13-H3C(O)CH3
  108021.8896  0.0012 -4.9820 3   16.6997 76 -595161404 9 3 7 3     8 2 6 3      C-13-H3C(O)CH3
  108021.8896  0.0012 -4.9820 3   16.6997 76 -595161404 9 3 7 4     8 2 6 4      C-13-H3C(O)CH3
  108025.0427  0.0014 -4.6811 3   16.6343152 -595161404 9 2 7 1     8 3 6 1      C-13-H3C(O)CH3
  108025.2570  0.0014 -4.6812 3   16.6336152 -595161404 9 2 7 2     8 3 6 2      C-13-H3C(O)CH3
  108033.1423  0.0036 -6.7589 3  102.6831328  59516140420 812 2    1911 9 2      C-13-H3C(O)CH3
  108036.6171  0.0036 -7.0648 3  102.7039164  59516140420 812 3    1911 9 3      C-13-H3C(O)CH3
  108047.3038  0.0044 -7.0647 3  102.7036164  59516140420 812 4    1911 9 4      C-13-H3C(O)CH3
  108055.4208  0.0058 -5.0898 3  202.1710212  5951614042620 7 4    2619 8 4      C-13-H3C(O)CH3
  108060.9515  0.0014 -4.6807 3   16.6333152 -595161404 9 3 7 1     8 2 6 1      C-13-H3C(O)CH3
  108061.8102  0.0014 -4.6808 3   16.6326152 -595161404 9 3 7 2     8 2 6 2      C-13-H3C(O)CH3
  108063.0940  0.0330 -5.1542 3  590.0413744  595161404462719 2    462620 2      C-13-H3C(O)CH3
  108063.5606  0.0014 -4.6809 3   16.5674152 -595161404 9 2 7 0     8 3 6 0      C-13-H3C(O)CH3
  108063.5805  0.0095 -6.6420 3   34.0857 92  59516140411 8 4 3    10 9 1 3      C-13-H3C(O)CH3
  108076.1313  0.0059 -4.8000 3  295.2764520 -595161404322211 1    322112 1      C-13-H3C(O)CH3
  108082.5803  0.0085 -5.1059 3  295.2554260  595161404322211 3    322112 3      C-13-H3C(O)CH3
  108100.8032  0.0014 -4.6806 3   16.5663152 -595161404 9 3 7 0     8 2 6 0      C-13-H3C(O)CH3
  108108.8103  0.0068 -5.0902 3  202.2450212  5951614042620 6 4    2619 7 4      C-13-H3C(O)CH3
  108111.0904  0.0089 -5.0966 3  295.2557260  595161404322211 4    322112 4      C-13-H3C(O)CH3
  108132.0739  0.0033 -7.5855 3  311.4837536  595161404332211 1    332113 1      C-13-H3C(O)CH3
  108157.2054  0.0055 -5.1006 3  202.2013212  5951614042620 7 3    2619 8 3      C-13-H3C(O)CH3
  108177.2418  0.0046 -5.5241 3    8.8185 52 -595161404 6 5 2 4     5 4 1 4      C-13-H3C(O)CH3
  108178.1437  0.0077 -5.1150 3  246.3540236  5951614042921 9 4    292010 4      C-13-H3C(O)CH3
  108194.5936  0.0143 -4.9399 3  445.4943648 -595161404402317 2    402218 2      C-13-H3C(O)CH3
  108196.9381  0.0159 -5.2408 3  445.4719324  595161404402317 3    402218 3      C-13-H3C(O)CH3
  108198.5827  0.0773 -5.5990 3  676.3370396  595161404493118 3    493019 3      C-13-H3C(O)CH3
  108201.9655  0.0154 -5.2408 3  445.4720324  595161404402317 4    402218 4      C-13-H3C(O)CH3
  108207.3156  0.0048 -4.7891 3  202.2474424 -5951614042620 6 1    2619 7 1      C-13-H3C(O)CH3
  108208.4658  0.0058 -7.3022 3  311.4613268  595161404332211 3    332113 3      C-13-H3C(O)CH3
  108209.0481  0.0163 -5.1535 3  590.0491744  595161404462719 1    462620 1      C-13-H3C(O)CH3
  108244.7122  0.0044 -7.5908 3  311.4820536  595161404332211 2    332113 2      C-13-H3C(O)CH3
  108246.5902  0.0046 -4.7886 3  202.2042424 -5951614042620 7 1    2619 8 1      C-13-H3C(O)CH3
  108252.8468  0.0041 -4.7821 3  295.2985520 -595161404322211 0    322112 0      C-13-H3C(O)CH3
  108252.9634  0.0098 -6.7445 3   34.0794 92  59516140411 8 4 3    10 9 2 3      C-13-H3C(O)CH3
  108275.2010  0.0042 -4.7826 3  295.2779520 -595161404322211 2    322112 2      C-13-H3C(O)CH3
  108277.5423  0.0020 -4.9732 3  153.1540196 -595161404241113 3    241014 3      C-13-H3C(O)CH3
  108278.0234  0.0026 -4.9732 3  153.1541196 -595161404241113 4    241014 4      C-13-H3C(O)CH3
  108283.9533  0.0049 -4.7895 3  202.2188424 -5951614042620 7 2    2619 8 2      C-13-H3C(O)CH3
  108287.3121  0.0046 -4.8319 3  366.5864584 -595161404362314 1    362215 1      C-13-H3C(O)CH3
  108292.6751  0.0046 -4.8319 3  366.6072584 -595161404362314 0    362215 0      C-13-H3C(O)CH3
  108299.5409  0.0068 -6.9132 3   56.1569116  5951614041410 5 4    14 7 7 4      C-13-H3C(O)CH3
  108319.3723  0.0020 -4.6715 3  153.1496392 -595161404241113 2    241014 2      C-13-H3C(O)CH3
  108320.4247  0.0857 -5.6012 3  676.3382396  595161404493118 4    493019 4      C-13-H3C(O)CH3
  108335.1161  0.0172 -5.1530 3  590.0680744  595161404462719 0    462620 0      C-13-H3C(O)CH3
  108344.0395  0.0020 -4.6715 3  153.1522392 -595161404241113 1    241014 1      C-13-H3C(O)CH3
  108348.3176  0.0057 -4.8340 3  246.3772472 -5951614042921 9 1    292010 1      C-13-H3C(O)CH3
  108353.6287  0.0020 -4.9726 3  153.1542196  595161404241213 3    241114 3      C-13-H3C(O)CH3
  108353.7315  0.0026 -4.9726 3  153.1543196  595161404241213 4    241114 4      C-13-H3C(O)CH3
  108362.8451  0.0085 -4.9391 3  445.5247648  595161404402317 0    402218 0      C-13-H3C(O)CH3
  108365.6952  0.0097 -4.9390 3  445.5023648  595161404402317 1    402218 1      C-13-H3C(O)CH3
  108367.9908  0.0046 -4.7893 3  202.2497424 -5951614042620 6 2    2619 7 2      C-13-H3C(O)CH3
  108381.2492  0.0232 -5.3402 3  515.2605348  595161404432518 3    432419 3      C-13-H3C(O)CH3
  108385.5940  0.0019 -4.6708 3  153.1478392 -595161404241113 0    241014 0      C-13-H3C(O)CH3
  108386.6687  0.0233 -5.3401 3  515.2606348  595161404432518 4    432419 4      C-13-H3C(O)CH3
  108389.1197  0.0051 -5.1325 3  366.5609292  595161404362314 4    362215 4      C-13-H3C(O)CH3
  108394.2082  0.0055 -5.1324 3  366.5610292  595161404362314 3    362215 3      C-13-H3C(O)CH3
  108397.7911  0.0020 -4.6709 3  153.1498392 -595161404241213 2    241114 2      C-13-H3C(O)CH3
  108398.8566  0.0049 -4.8314 3  366.5818584 -595161404362314 2    362215 2      C-13-H3C(O)CH3
  108403.5030  0.0264 -6.6706 3  202.2013212  5951614042620 6 3    2619 8 3      C-13-H3C(O)CH3
  108407.2046  0.0050 -4.7869 3  202.2542424  5951614042620 6 0    2619 7 0      C-13-H3C(O)CH3
  108409.6700  0.0096 -5.1509 3  246.3615236  5951614042921 9 3    292010 3      C-13-H3C(O)CH3
  108419.9476  0.0019 -4.6709 3  153.1524392 -595161404241213 1    241114 1      C-13-H3C(O)CH3
  108443.8341  0.0221 -5.0389 3  515.2815696  595161404432518 2    432419 2      C-13-H3C(O)CH3
  108463.9932  0.0019 -4.6702 3  153.1480392 -595161404241213 0    241114 0      C-13-H3C(O)CH3
  108493.3085  0.0065 -5.2202 3  151.7895180  5951614042219 3 3    2218 4 3      C-13-H3C(O)CH3
  108535.6270  0.0050 -4.7859 3  202.2496424 -5951614042620 7 0    2619 8 0      C-13-H3C(O)CH3
  108551.6319  0.0090 -4.8814 3  246.3865472 -5951614042921 9 2    292010 2      C-13-H3C(O)CH3
  108557.6507  0.0079 -5.2202 3  151.8446180  5951614042219 3 4    2218 4 4      C-13-H3C(O)CH3
  108570.0043  0.0068 -5.2193 3  151.7294180  5951614042219 4 4    2218 5 4      C-13-H3C(O)CH3
  108610.9561  0.0116 -5.0380 3  515.2896696  595161404432518 1    432419 1      C-13-H3C(O)CH3
  108633.5651  0.0067 -5.2194 3  151.7844180  5951614042219 4 3    2218 5 3      C-13-H3C(O)CH3
  108634.1706  0.0047 -4.8180 3  348.8833568 -595161404352313 1    352214 1      C-13-H3C(O)CH3
  108672.8444  0.0117 -5.0378 3  515.3104696  595161404432518 0    432419 0      C-13-H3C(O)CH3
  108681.3689  0.0045 -4.8177 3  348.9041568 -595161404352313 0    352214 0      C-13-H3C(O)CH3
  108720.4023  0.0062 -5.1196 3  348.8599284  595161404352313 3    352214 3      C-13-H3C(O)CH3
  108722.9941  0.0056 -5.1195 3  348.8598284  595161404352313 4    352214 4      C-13-H3C(O)CH3
  108726.7526  0.0013 -5.1757 3   14.6031 68 -595161404 8 4 5 4     7 3 4 4      C-13-H3C(O)CH3
  108736.5500  0.0071 -6.2324 3   34.0123184  59516140411 8 4 2    10 9 2 2      C-13-H3C(O)CH3
  108745.5136  0.0017 -5.1756 3   14.6026 68 -595161404 8 4 5 3     7 3 4 3      C-13-H3C(O)CH3
  108755.7791  0.0062 -4.9179 3  151.8356360 -5951614042219 3 1    2218 4 1      C-13-H3C(O)CH3
  108769.6449  0.0043 -4.7657 3  246.4062472 -5951614042921 9 0    292010 0      C-13-H3C(O)CH3
  108770.5462  0.0049 -4.8183 3  348.8808568 -595161404352313 2    352214 2      C-13-H3C(O)CH3
  108806.3736  0.0063 -4.9172 3  151.7898360 -5951614042219 4 2    2218 5 2      C-13-H3C(O)CH3
  108812.0350  0.0017 -4.8742 3   14.5366136 -595161404 8 4 5 1     7 3 4 1      C-13-H3C(O)CH3
  108812.7562  0.0197 -5.8305 3  246.3615236  5951614042921 8 3    292010 3      C-13-H3C(O)CH3
  108830.1372  0.0062 -4.9171 3  151.7755360 -5951614042219 4 1    2218 5 1      C-13-H3C(O)CH3
  108830.3753  0.0018 -4.8744 3   14.5352136 -595161404 8 4 5 2     7 3 4 2      C-13-H3C(O)CH3
  108845.9193  0.0053 -6.2990 3   47.8637108  59516140413 9 4 3    13 6 7 3      C-13-H3C(O)CH3
  108872.2979  0.0058 -4.9173 3  151.8448360 -5951614042219 3 2    2218 4 2      C-13-H3C(O)CH3
  108895.3909  0.0063 -6.2180 3   34.0046184  59516140411 8 4 1    10 9 2 1      C-13-H3C(O)CH3
  108906.0060  0.0017 -4.8741 3   14.4691136 -595161404 8 4 5 0     7 3 4 0      C-13-H3C(O)CH3
  108994.2797  0.0045 -5.0316 3    8.7434104 -595161404 6 5 2 1     5 4 1 1      C-13-H3C(O)CH3
  109017.4238  0.0057 -6.1954 3  295.2764520  595161404322210 1    322112 1      C-13-H3C(O)CH3
  109018.8451  0.0072 -6.6180 3  295.2557260  595161404322210 4    322112 4      C-13-H3C(O)CH3
  109024.5065  0.0149 -5.3997 3  246.3865472  5951614042921 8 2    292010 2      C-13-H3C(O)CH3
  109037.2004  0.0101 -6.7763 3   49.3686108  5951614041310 4 4    13 7 6 4      C-13-H3C(O)CH3
  109037.3293  0.0014 -4.8417 3   18.1870 84 -59516140410 2 9 3     9 1 8 3      C-13-H3C(O)CH3
  109037.3293  0.0014 -4.8417 3   18.1870 84 -59516140410 1 9 3     9 2 8 3      C-13-H3C(O)CH3
  109037.3293  0.0014 -4.8416 3   18.1870 84 -59516140410 2 9 4     9 1 8 4      C-13-H3C(O)CH3
  109037.3293  0.0014 -4.8416 3   18.1870 84 -59516140410 1 9 4     9 2 8 4      C-13-H3C(O)CH3
  109060.3192  0.0016 -4.5404 3   18.1180168 -59516140410 1 9 1     9 2 8 1      C-13-H3C(O)CH3
  109060.5211  0.0016 -4.5404 3   18.1175168 -59516140410 1 9 2     9 2 8 2      C-13-H3C(O)CH3
  109060.5211  0.0016 -4.5404 3   18.1180168 -59516140410 2 9 1     9 1 8 1      C-13-H3C(O)CH3
  109060.7292  0.0016 -4.5404 3   18.1175168 -59516140410 2 9 2     9 1 8 2      C-13-H3C(O)CH3
  109066.7315  0.0110 -6.3879 3  295.2554260  595161404322210 3    322112 3      C-13-H3C(O)CH3
  109068.7153  0.0066 -4.9160 3  151.8358360  5951614042219 3 0    2218 4 0      C-13-H3C(O)CH3
  109070.4597  0.0066 -4.9160 3  151.8357360 -5951614042219 4 0    2218 5 0      C-13-H3C(O)CH3
  109078.3958  0.0015 -7.5147 3    7.8489 52  595161404 6 4 3 4     5 3 3 4      C-13-H3C(O)CH3
  109080.7688  0.0054 -5.0126 3    8.7427104 -595161404 6 5 2 2     5 4 1 2      C-13-H3C(O)CH3
  109083.6535  0.0015 -4.5402 3   18.0488168 -59516140410 2 9 0     9 1 8 0      C-13-H3C(O)CH3
  109083.6535  0.0015 -4.5402 3   18.0488168 -59516140410 1 9 0     9 2 8 0      C-13-H3C(O)CH3
  109102.4618  0.0027 -4.6979 3  247.7473488 -595161404301714 2    301615 2      C-13-H3C(O)CH3
  109108.6085  0.0047 -7.5875 3  295.2779520  595161404322210 2    322112 2      C-13-H3C(O)CH3
  109111.4961  0.0044 -5.9997 3   47.8158216  59516140413 9 4 2    13 6 7 2      C-13-H3C(O)CH3
  109112.5341  0.0025 -4.6977 3  247.7676488 -595161404301714 0    301615 0      C-13-H3C(O)CH3
  109116.0450  0.0037 -6.0036 3   47.8181216  59516140413 9 4 1    13 6 7 1      C-13-H3C(O)CH3
  109117.5216  0.0030 -4.9990 3  247.7318244  595161404301714 4    301615 4      C-13-H3C(O)CH3
  109118.1687  0.0027 -4.9990 3  247.7318244  595161404301714 3    301615 3      C-13-H3C(O)CH3
  109127.0755  0.0057 -6.9597 3   56.1153232  5951614041410 5 1    14 7 7 1      C-13-H3C(O)CH3
  109128.0930  0.0027 -4.6978 3  247.7520488 -595161404301714 1    301615 1      C-13-H3C(O)CH3
  109172.6477  0.0025 -5.9885 3   47.7702216  59516140413 9 4 0    13 6 7 0      C-13-H3C(O)CH3
  109198.3360  0.0024 -5.2100 3    8.8088 52 -595161404 6 5 2 3     5 4 1 3      C-13-H3C(O)CH3
  109201.4474  0.0144 -5.6153 3  246.3772472  5951614042921 8 1    292010 1      C-13-H3C(O)CH3
  109209.3215  0.0018 -7.7585 3    7.7793104  595161404 6 4 3 1     5 3 3 1      C-13-H3C(O)CH3
  109240.9641  0.0038 -6.3283 3   47.8640108  59516140413 9 4 4    13 6 7 4      C-13-H3C(O)CH3
  109242.5565  0.0100 -7.4512 3   69.0421132  59516140416 8 8 4    1511 4 4      C-13-H3C(O)CH3
  109276.0070  0.0057 -7.7694 3   18.2299 68  595161404 8 7 2 4     8 4 5 4      C-13-H3C(O)CH3
  109295.3684  0.0210 -7.0828 3  202.2188424  5951614042620 6 2    2619 8 2      C-13-H3C(O)CH3
  109335.2952  0.0170 -7.2296 3  524.5979696  595161404432816 1    432716 1      C-13-H3C(O)CH3
  109335.5184  0.0062 -7.0541 3   56.1118232  5951614041410 5 2    14 7 7 2      C-13-H3C(O)CH3
  109422.9014  0.0336 -5.2100 3  623.6215760  595161404473017 0    472918 0      C-13-H3C(O)CH3
  109455.2427  0.0112 -7.5534 3   30.3606 84  59516140410 9 2 4    10 6 4 4      C-13-H3C(O)CH3
  109494.8690  0.0252 -6.0713 3  246.3540236  5951614042921 8 4    292010 4      C-13-H3C(O)CH3
  109500.4471  0.0026 -4.9035 3    8.6722104 -595161404 6 5 2 0     5 4 1 0      C-13-H3C(O)CH3
  109503.5176  0.0187 -7.3666 3  202.2042424  5951614042620 6 1    2619 8 1      C-13-H3C(O)CH3
  109544.6026  0.0273 -6.7711 3  524.5769348  595161404432816 4    432716 4      C-13-H3C(O)CH3
  109577.2841  0.0020 -4.9732 3  138.7773188  595161404231013 3    23 914 3      C-13-H3C(O)CH3
  109577.4448  0.0288 -6.8260 3  524.5916696  595161404432816 2    432716 2      C-13-H3C(O)CH3
  109577.5552  0.0026 -4.9732 3  138.7773188  595161404231013 4    23 914 4      C-13-H3C(O)CH3
  109602.3030  0.0020 -4.9730 3  138.7773188  595161404231113 3    231014 3      C-13-H3C(O)CH3
  109602.4219  0.0026 -4.9730 3  138.7774188  595161404231113 4    231014 4      C-13-H3C(O)CH3
  109603.6376  0.0065 -6.4449 3   34.0117 92  59516140411 8 4 4    10 9 2 4      C-13-H3C(O)CH3
  109614.1012  0.0224 -5.7653 3  279.6599252  595161404312210 4    312110 4      C-13-H3C(O)CH3
  109638.1218  0.0019 -4.6712 3  138.7678376 -595161404231013 2    23 914 2      C-13-H3C(O)CH3
  109657.9043  0.0019 -4.6713 3  138.7699376 -595161404231013 1    23 914 1      C-13-H3C(O)CH3
  109663.9806  0.0019 -4.6711 3  138.7678376 -595161404231113 2    231014 2      C-13-H3C(O)CH3
  109669.2212  0.0093 -7.6417 3  226.2492472  595161404291515 1    281810 1      C-13-H3C(O)CH3
  109682.8734  0.0019 -4.6711 3  138.7699376 -595161404231113 1    231014 1      C-13-H3C(O)CH3
  109701.5691  0.0125 -5.5007 3  279.6798504  595161404312210 1    312110 1      C-13-H3C(O)CH3
  109718.4699  0.0019 -4.6704 3  138.7604376 -595161404231013 0    23 914 0      C-13-H3C(O)CH3
  109737.7438  0.0187 -5.8727 3  279.6597252  595161404312210 3    312110 3      C-13-H3C(O)CH3
  109744.3285  0.0019 -4.6702 3  138.7605376 -595161404231113 0    231014 0      C-13-H3C(O)CH3
  109769.4319  0.0093 -7.6364 3  226.2416472  595161404291515 2    281810 2      C-13-H3C(O)CH3
  109784.0485  0.0070 -7.3590 3   68.9874264  59516140416 8 8 2    1511 4 2      C-13-H3C(O)CH3
  109803.5295  0.0323 -5.2086 3  623.6053760  595161404473017 1    472918 1      C-13-H3C(O)CH3
  109834.9298  0.0085 -7.6320 3  226.2569472  595161404291515 0    281810 0      C-13-H3C(O)CH3
  109845.9783  0.0072 -7.3076 3   68.9892264  59516140416 8 8 1    1511 4 1      C-13-H3C(O)CH3
  109864.5328  0.1157 -5.8894 3 1037.8820984  595161404613724 0    613625 0      C-13-H3C(O)CH3
  109974.5540  0.0971 -5.8885 3 1037.8680984  595161404613724 2    613625 2      C-13-H3C(O)CH3
  110006.4074  0.0090 -6.4368 3   34.1535 92  59516140411 8 3 4    10 9 1 4      C-13-H3C(O)CH3
  110018.3565  0.1067 -5.8882 3 1037.8634984  595161404613724 1    613625 1      C-13-H3C(O)CH3
  110028.6696  0.1191 -7.6744 3  761.1692420  595161404523320 4    523220 4      C-13-H3C(O)CH3
  110042.5176  0.0028 -4.6820 3  229.8989472 -595161404291514 2    291415 2      C-13-H3C(O)CH3
  110047.5304  0.0302 -7.3029 3  232.3194228  5951614042821 8 4    2820 8 4      C-13-H3C(O)CH3
  110068.5221  0.0032 -4.9831 3  229.8857236  595161404291514 3    291415 3      C-13-H3C(O)CH3
  110070.4629  0.0035 -4.9831 3  229.8857236  595161404291514 4    291415 4      C-13-H3C(O)CH3
  110071.3206  0.0025 -4.6817 3  229.9163472 -595161404291514 0    291415 0      C-13-H3C(O)CH3
  110090.1585  0.0086 -5.9777 3  279.6818504  595161404312210 2    312110 2      C-13-H3C(O)CH3
  110092.7542  0.0631 -5.2079 3  623.5969760  595161404473017 2    472918 2      C-13-H3C(O)CH3
  110097.6496  0.0028 -4.6818 3  229.9032472 -595161404291514 1    291415 1      C-13-H3C(O)CH3
  110116.5248  0.0017 -4.7314 3   19.1267 92 -59516140411 111 3    10 010 3      C-13-H3C(O)CH3
  110116.5248  0.0017 -4.7314 3   19.1267 92 -59516140411 011 4    10 110 4      C-13-H3C(O)CH3
  110116.5248  0.0017 -4.7314 3   19.1267 92 -59516140411 011 3    10 110 3      C-13-H3C(O)CH3
  110116.5248  0.0017 -4.7314 3   19.1267 92 -59516140411 111 4    10 010 4      C-13-H3C(O)CH3
  110122.8760  0.0061 -6.5098 3   40.1159100  59516140412 8 4 3    12 5 7 3      C-13-H3C(O)CH3
  110123.7573  0.0019 -4.4302 3   19.0530184 -59516140411 111 2    10 010 2      C-13-H3C(O)CH3
  110123.7573  0.0020 -4.4302 3   19.0535184 -59516140411 111 1    10 010 1      C-13-H3C(O)CH3
  110123.7573  0.0019 -4.4302 3   19.0530184 -59516140411 011 2    10 110 2      C-13-H3C(O)CH3
  110123.7573  0.0020 -4.4302 3   19.0535184 -59516140411 011 1    10 110 1      C-13-H3C(O)CH3
  110128.3397  0.0074 -5.3071 3  141.3493172  5951614042119 3 3    2118 3 3      C-13-H3C(O)CH3
  110130.9735  0.0018 -4.4300 3   18.9799184 -59516140411 011 0    10 110 0      C-13-H3C(O)CH3
  110130.9735  0.0018 -4.4300 3   18.9799184 -59516140411 111 0    10 010 0      C-13-H3C(O)CH3
  110131.8653  0.0624 -6.1883 3 1037.8492492  595161404613724 3    613625 3      C-13-H3C(O)CH3
  110146.1672  0.0680 -6.1883 3 1037.8495492  595161404613724 4    613625 4      C-13-H3C(O)CH3
  110174.1297  0.0087 -5.3073 3  141.4105172  5951614042119 2 4    2118 3 4      C-13-H3C(O)CH3
  110220.2006  0.0115 -5.1533 3  279.6597252  5951614043122 9 3    312110 3      C-13-H3C(O)CH3
  110226.7744  0.0076 -5.3062 3  141.2860172  5951614042119 3 4    2118 4 4      C-13-H3C(O)CH3
  110228.8723  0.0052 -6.2026 3   40.0640200  59516140412 8 4 2    12 5 7 2      C-13-H3C(O)CH3
  110272.2961  0.0076 -5.3064 3  141.3471172  5951614042119 2 3    2118 4 3      C-13-H3C(O)CH3
  110277.1218  0.0046 -6.2059 3   40.0655200  59516140412 8 4 1    12 5 7 1      C-13-H3C(O)CH3
  110285.7503  0.0075 -6.2137 3   34.0801184  59516140411 8 3 2    10 9 1 2      C-13-H3C(O)CH3
  110294.6813  0.0074 -4.8670 3  279.6798504 -5951614043122 9 1    312110 1      C-13-H3C(O)CH3
  110294.7178  0.0050 -6.5173 3   40.1161100  59516140412 8 4 4    12 5 7 4      C-13-H3C(O)CH3
  110296.9654  0.0034 -6.1959 3   40.0136200  59516140412 8 4 0    12 5 7 0      C-13-H3C(O)CH3
  110328.2731  0.0117 -5.1769 3  279.6599252  5951614043122 9 4    312110 4      C-13-H3C(O)CH3
  110331.3885  0.0074 -4.8036 3  279.6818504 -5951614043122 9 2    312110 2      C-13-H3C(O)CH3
  110334.5190  0.0093 -6.5542 3   49.3223216  5951614041310 4 1    13 7 6 1      C-13-H3C(O)CH3
  110335.6180  0.0049 -4.7754 3  279.7016504  5951614043122 9 0    312110 0      C-13-H3C(O)CH3
  110378.1309  0.0076 -6.1994 3   34.0785184  59516140411 8 3 1    10 9 1 1      C-13-H3C(O)CH3
  110388.9041  0.0602 -5.5052 3  623.5801380  595161404473017 3    472918 3      C-13-H3C(O)CH3
  110403.4470  0.0071 -5.0048 3  141.4006344  5951614042119 2 1    2118 3 1      C-13-H3C(O)CH3
  110417.8698  0.0071 -7.4550 3   18.1661136  595161404 8 7 2 1     8 4 5 1      C-13-H3C(O)CH3
  110439.5691  0.0042 -4.8073 3  362.9233584 -595161404362215 0    362116 0      C-13-H3C(O)CH3
  110456.0779  0.0073 -5.0041 3  141.3510344  5951614042119 3 2    2118 4 2      C-13-H3C(O)CH3
  110465.7534  0.0041 -4.8072 3  362.9017584 -595161404362215 1    362116 1      C-13-H3C(O)CH3
  110500.0961  0.0072 -5.0039 3  141.3372344  5951614042119 3 1    2118 4 1      C-13-H3C(O)CH3
  110503.4477  0.0066 -5.0043 3  141.4121344  5951614042119 2 2    2118 3 2      C-13-H3C(O)CH3
  110505.7205  0.0041 -4.8069 3  362.8958584 -595161404362215 2    362116 2      C-13-H3C(O)CH3
  110517.3237  0.0288 -7.8342 3  189.7041204  5951614042520 6 3    2519 6 3      C-13-H3C(O)CH3
  110529.3891  0.0037 -5.1077 3  362.8740292  595161404362215 4    362116 4      C-13-H3C(O)CH3
  110532.0197  0.0039 -5.1077 3  362.8741292  595161404362215 3    362116 3      C-13-H3C(O)CH3
  110538.3732  0.0080 -7.3162 3  339.0471600  595161404371324 1    361621 1      C-13-H3C(O)CH3
  110538.4373  0.0080 -7.3162 3  339.0471600  595161404371424 1    361521 1      C-13-H3C(O)CH3
  110545.7634  0.0068 -7.3135 3  339.0722600  595161404371324 0    361621 0      C-13-H3C(O)CH3
  110545.8262  0.0068 -7.3135 3  339.0722600  595161404371424 0    361521 0      C-13-H3C(O)CH3
  110549.1812  0.0678 -5.5097 3  623.5816380  595161404473017 4    472918 4      C-13-H3C(O)CH3
  110555.7922  0.0077 -7.6173 3  339.0193300  595161404371324 3    361621 3      C-13-H3C(O)CH3
  110555.8612  0.0077 -7.6173 3  339.0193300  595161404371424 3    361521 3      C-13-H3C(O)CH3
  110555.8850  0.0078 -7.6173 3  339.0193300  595161404371324 4    361621 4      C-13-H3C(O)CH3
  110555.9537  0.0078 -7.6173 3  339.0193300  595161404371424 4    361521 4      C-13-H3C(O)CH3
  110563.2293  0.0080 -7.3135 3  339.0445600  595161404371324 2    361621 2      C-13-H3C(O)CH3
  110563.2968  0.0080 -7.3135 3  339.0445600  595161404371424 2    361521 2      C-13-H3C(O)CH3
  110580.3696  0.0105 -7.5935 3  474.6617712  595161404441529 1    431826 1      C-13-H3C(O)CH3
  110580.3699  0.0105 -7.5935 3  474.6617712  595161404441629 1    431726 1      C-13-H3C(O)CH3
  110593.7376  0.0107 -7.5914 3  474.6601712  595161404441529 2    431826 2      C-13-H3C(O)CH3
  110593.7379  0.0107 -7.5914 3  474.6601712  595161404441629 2    431726 2      C-13-H3C(O)CH3
  110596.8485  0.0087 -7.4522 3   18.1654136  595161404 8 7 2 2     8 4 5 2      C-13-H3C(O)CH3
  110629.0244  0.0089 -7.5916 3  474.6876712  595161404441529 0    431826 0      C-13-H3C(O)CH3
  110629.0247  0.0089 -7.5917 3  474.6876712  595161404441629 0    431726 0      C-13-H3C(O)CH3
  110666.1009  0.0020 -4.9797 3  124.9792180  59516140422 913 3    22 814 3      C-13-H3C(O)CH3
  110666.2605  0.0027 -4.9797 3  124.9792180  59516140422 913 4    22 814 4      C-13-H3C(O)CH3
  110667.7681  0.0055 -5.1101 3  189.7041204  5951614042520 5 3    2519 6 3      C-13-H3C(O)CH3
  110672.5152  0.0105 -6.5767 3   49.3178216  5951614041310 4 2    13 7 6 2      C-13-H3C(O)CH3
  110673.6800  0.0020 -4.9796 3  124.9792180  595161404221013 3    22 914 3      C-13-H3C(O)CH3
  110673.7847  0.0027 -4.9796 3  124.9792180  595161404221013 4    22 914 4      C-13-H3C(O)CH3
  110729.4196  0.0059 -5.1086 3  189.6566204  5951614042520 6 4    2519 7 4      C-13-H3C(O)CH3
  110732.2732  0.0075 -5.0029 3  141.4022344  5951614042119 2 0    2118 3 0      C-13-H3C(O)CH3
  110732.4755  0.0075 -5.0029 3  141.4022344  5951614042119 3 0    2118 4 0      C-13-H3C(O)CH3
  110739.0811  0.0047 -4.7407 3  300.7874536 -595161404331815 2    331716 2      C-13-H3C(O)CH3
  110745.3295  0.0020 -4.6776 3  124.9641360 -59516140422 913 2    22 814 2      C-13-H3C(O)CH3
  110746.8799  0.0071 -5.1092 3  189.7420204  5951614042520 5 4    2519 6 4      C-13-H3C(O)CH3
  110751.9626  0.0016 -7.6575 3    8.8088 52  595161404 6 5 1 3     5 4 1 3      C-13-H3C(O)CH3
  110753.1614  0.0020 -4.6776 3  124.9641360 -595161404221013 2    22 914 2      C-13-H3C(O)CH3
  110761.3190  0.0019 -4.6777 3  124.9658360 -59516140422 913 1    22 814 1      C-13-H3C(O)CH3
  110768.9030  0.0019 -4.6776 3  124.9658360 -595161404221013 1    22 914 1      C-13-H3C(O)CH3
  110777.5533  0.0038 -4.7404 3  300.8136536 -595161404331815 0    331716 0      C-13-H3C(O)CH3
  110782.3321  0.0182 -6.6191 3  232.3292456  5951614042821 8 1    2820 8 1      C-13-H3C(O)CH3
  110800.0154  0.0060 -5.0413 3  300.7669268 -595161404331815 3    331716 3      C-13-H3C(O)CH3
  110803.5151  0.0055 -5.0413 3  300.7670268  595161404331815 4    331716 4      C-13-H3C(O)CH3
  110806.9066  0.0056 -5.1093 3  189.6944204  5951614042520 6 3    2519 7 3      C-13-H3C(O)CH3
  110838.6164  0.0048 -4.7401 3  300.7932536 -595161404331815 1    331716 1      C-13-H3C(O)CH3
  110840.3504  0.0019 -4.6766 3  124.9508360 -59516140422 913 0    22 814 0      C-13-H3C(O)CH3
  110848.1928  0.0019 -4.6766 3  124.9508360 -595161404221013 0    22 914 0      C-13-H3C(O)CH3
  110884.7831  0.0052 -4.8073 3  189.7422408 -5951614042520 5 1    2519 6 1      C-13-H3C(O)CH3
  110890.1206  0.0060 -7.5650 3   18.2300 68  595161404 8 7 2 3     8 4 5 3      C-13-H3C(O)CH3
  110920.7458  0.0047 -4.8331 3  384.7361600 -595161404372315 0    372216 0      C-13-H3C(O)CH3
  110942.7286  0.0051 -4.8066 3  189.6948408 -5951614042520 6 1    2519 7 1      C-13-H3C(O)CH3
  110946.5764  0.0045 -4.8329 3  384.7148600 -595161404372315 1    372216 1      C-13-H3C(O)CH3
  110948.8358  0.0052 -4.8066 3  189.7100408 -5951614042520 6 2    2519 7 2      C-13-H3C(O)CH3
  110957.3510  0.0285 -7.8304 3  189.6944204  5951614042520 5 3    2519 7 3      C-13-H3C(O)CH3
  110959.1857  0.0067 -6.0569 3   34.0048184  59516140411 8 3 0    10 9 2 0      C-13-H3C(O)CH3
  110977.4197  0.0113 -7.2467 3   30.3028168  59516140410 9 2 1    10 6 4 1      C-13-H3C(O)CH3
  110990.7716  0.0051 -7.0604 3  225.8384488  595161404301119 0    291416 0      C-13-H3C(O)CH3
  111001.6516  0.0051 -7.0603 3  225.8381488  595161404301219 0    291316 0      C-13-H3C(O)CH3
  111005.1804  0.0059 -7.0640 3  225.8255488  595161404301119 1    291416 1      C-13-H3C(O)CH3
  111015.8418  0.0059 -7.0639 3  225.8252488  595161404301219 1    291316 1      C-13-H3C(O)CH3
  111016.3641  0.0048 -4.8325 3  384.7092600 -595161404372315 2    372216 2      C-13-H3C(O)CH3
  111028.5202  0.0049 -4.8066 3  189.7478408 -5951614042520 5 2    2519 6 2      C-13-H3C(O)CH3
  111037.0595  0.0026 -5.5599 3    8.7427104  595161404 6 5 1 2     5 4 1 2      C-13-H3C(O)CH3
  111037.9304  0.0044 -5.1334 3  384.6878300  595161404372315 4    372216 4      C-13-H3C(O)CH3
  111042.4444  0.0025 -5.5003 3    8.7434104  595161404 6 5 1 1     5 4 1 1      C-13-H3C(O)CH3
  111043.5190  0.0047 -5.1333 3  384.6879300  595161404372315 3    372216 3      C-13-H3C(O)CH3
  111044.3178  0.0059 -7.0609 3  225.8222488  595161404301119 2    291416 2      C-13-H3C(O)CH3
  111055.4206  0.0058 -7.0608 3  225.8218488  595161404301219 2    291316 2      C-13-H3C(O)CH3
  111058.6279  0.0060 -7.3655 3  225.8093244  595161404301119 4    291416 4      C-13-H3C(O)CH3
  111058.7235  0.0056 -7.3655 3  225.8093244  595161404301119 3    291416 3      C-13-H3C(O)CH3
  111069.4733  0.0060 -7.3654 3  225.8089244  595161404301219 4    291316 4      C-13-H3C(O)CH3
  111069.6134  0.0056 -7.3654 3  225.8089244  595161404301219 3    291316 3      C-13-H3C(O)CH3
  111069.7745  0.0025 -4.6744 3  229.9032472 -595161404291614 2    291515 2      C-13-H3C(O)CH3
  111077.0366  0.0029 -4.9756 3  229.8899236  595161404291614 4    291515 4      C-13-H3C(O)CH3
  111077.3182  0.0026 -4.9756 3  229.8899236  595161404291614 3    291515 3      C-13-H3C(O)CH3
  111089.3044  0.0038 -4.7777 3  341.6722568 -595161404352115 0    352016 0      C-13-H3C(O)CH3
  111091.0816  0.0023 -4.6742 3  229.9206472 -595161404291614 0    291515 0      C-13-H3C(O)CH3
  111098.5190  0.0025 -4.6744 3  229.9073472 -595161404291614 1    291515 1      C-13-H3C(O)CH3
  111117.2185  0.0037 -4.7775 3  341.6506568 -595161404352115 1    352016 1      C-13-H3C(O)CH3
  111130.0529  0.0037 -4.7774 3  341.6447568 -595161404352115 2    352016 2      C-13-H3C(O)CH3
  111152.2886  0.0056 -4.8057 3  189.7484408  5951614042520 5 0    2519 6 0      C-13-H3C(O)CH3
  111156.2590  0.0035 -5.0782 3  341.6230284  595161404352115 4    352016 4      C-13-H3C(O)CH3
  111157.8929  0.0035 -5.0782 3  341.6230284  595161404352115 3    352016 3      C-13-H3C(O)CH3
  111166.2124  0.0050 -4.7966 3  331.6688552 -595161404342312 1    342213 1      C-13-H3C(O)CH3
  111177.9778  0.0056 -4.8055 3  189.7475408 -5951614042520 6 0    2519 7 0      C-13-H3C(O)CH3
  111187.2330  0.0020 -5.4878 3    8.8185 52  595161404 6 5 1 4     5 4 1 4      C-13-H3C(O)CH3
  111197.2530  0.0078 -5.1068 3  331.6470276  595161404342312 3    342213 3      C-13-H3C(O)CH3
  111231.2702  0.0058 -5.0988 3  331.6471276  595161404342312 4    342213 4      C-13-H3C(O)CH3
  111239.7927  0.0218 -6.1842 3  232.3304456  5951614042821 8 2    2820 8 2      C-13-H3C(O)CH3
  111258.6356  0.0045 -4.7954 3  331.6905552 -595161404342312 0    342213 0      C-13-H3C(O)CH3
  111277.6679  0.0261 -6.2943 3  232.3008228  5951614042821 8 3    2820 8 3      C-13-H3C(O)CH3
  111307.4108  0.0053 -4.8010 3  331.6690552 -595161404342312 2    342213 2      C-13-H3C(O)CH3
  111311.9890  0.0128 -7.2482 3   30.2994168  59516140410 9 2 2    10 6 4 2      C-13-H3C(O)CH3
  111364.6671  0.0096 -6.7090 3   34.0857 92  59516140411 8 3 3    10 9 1 3      C-13-H3C(O)CH3
  111366.3858  0.0060 -6.6224 3   68.9022264  59516140416 8 8 0    1511 5 0      C-13-H3C(O)CH3
  111444.9355  0.0072 -6.4158 3   49.3674108  5951614041310 3 3    13 7 6 3      C-13-H3C(O)CH3
  111469.4959  0.2017 -5.8291 3 1006.6629968  595161404603723 0    603624 0      C-13-H3C(O)CH3
  111505.1831  0.0083 -5.4475 3  131.4283164  5951614042019 2 3    2018 3 3      C-13-H3C(O)CH3
  111508.4999  0.0024 -7.7905 3   30.9344184  59516140411 6 6 1    10 7 4 1      C-13-H3C(O)CH3
  111520.5996  0.0129 -5.1675 3  279.5963252  595161404312210 4    312111 4      C-13-H3C(O)CH3
  111531.8781  0.0096 -5.4478 3  131.4951164  5951614042019 1 4    2018 2 4      C-13-H3C(O)CH3
  111536.5724  0.0123 -7.6190 3   30.3589 84  59516140410 9 2 3    10 6 4 3      C-13-H3C(O)CH3
  111554.0499  0.0114 -6.6035 3   34.0794 92  59516140411 8 3 3    10 9 2 3      C-13-H3C(O)CH3
  111573.4616  0.0063 -5.0932 3  232.3008228  5951614042821 7 3    2820 8 3      C-13-H3C(O)CH3
  111585.7252  0.0028 -4.9934 3  111.7629172 -59516140421 813 4    21 714 4      C-13-H3C(O)CH3
  111585.7252  0.0021 -4.9934 3  111.7628172 -59516140421 813 3    21 714 3      C-13-H3C(O)CH3
  111587.7827  0.0021 -4.9934 3  111.7628172  59516140421 913 3    21 814 3      C-13-H3C(O)CH3
  111587.8686  0.0028 -4.9934 3  111.7629172  59516140421 913 4    21 814 4      C-13-H3C(O)CH3
  111595.6591  0.0076 -4.8571 3  279.6166504 -595161404312210 1    312111 1      C-13-H3C(O)CH3
  111608.9909  0.0227 -5.1212 3  573.0308728  595161404452916 0    452817 0      C-13-H3C(O)CH3
  111623.5747  0.0110 -5.1428 3  279.5968252  595161404312210 3    312111 3      C-13-H3C(O)CH3
  111623.5890  0.0058 -7.2219 3   18.1018136  595161404 8 7 2 0     8 4 5 0      C-13-H3C(O)CH3
  111623.9049  0.0086 -5.4465 3  131.3623164  5951614042019 2 4    2018 3 4      C-13-H3C(O)CH3
  111650.7053  0.0087 -5.4468 3  131.4289164  5951614042019 1 3    2018 2 3      C-13-H3C(O)CH3
  111663.3264  0.0061 -5.0682 3  232.2655228  5951614042821 8 4    2820 9 4      C-13-H3C(O)CH3
  111682.9586  0.0021 -4.6912 3  111.7417344  59516140421 813 2    21 714 2      C-13-H3C(O)CH3
  111685.1480  0.0021 -4.6912 3  111.7417344 -59516140421 913 2    21 814 2      C-13-H3C(O)CH3
  111692.0543  0.0070 -5.0687 3  232.3194228  5951614042821 7 4    2820 8 4      C-13-H3C(O)CH3
  111695.9114  0.0020 -4.6913 3  111.7431344 -59516140421 813 1    21 714 1      C-13-H3C(O)CH3
  111698.0321  0.0020 -4.6913 3  111.7431344 -59516140421 913 1    21 814 1      C-13-H3C(O)CH3
  111725.9553  0.0110 -7.4570 3   30.3589 84  59516140410 9 1 3    10 6 4 3      C-13-H3C(O)CH3
  111745.7346  0.0026 -7.5899 3   30.9791 92  59516140411 6 6 4    10 7 4 4      C-13-H3C(O)CH3
  111749.8718  0.0049 -4.7709 3  232.3292456 -5951614042821 7 1    2820 8 1      C-13-H3C(O)CH3
  111753.6491  0.0176 -6.0179 3  315.0707268  595161404332311 3    332211 3      C-13-H3C(O)CH3
  111778.9842  0.0063 -5.0919 3  232.2841228  5951614042821 8 3    2820 9 3      C-13-H3C(O)CH3
  111790.4546  0.0080 -5.1452 3  131.4848328  5951614042019 1 1    2018 2 1      C-13-H3C(O)CH3
  111792.4585  0.0071 -6.4173 3   32.4981 92  59516140411 7 5 4    10 8 2 4      C-13-H3C(O)CH3
  111792.9823  0.0020 -4.6901 3  111.7220344  59516140421 813 0    21 714 0      C-13-H3C(O)CH3
  111795.1494  0.0020 -4.6901 3  111.7220344 -59516140421 913 0    21 814 0      C-13-H3C(O)CH3
  111812.4031  0.0093 -5.9721 3  315.0906536  595161404332311 1    332211 1      C-13-H3C(O)CH3
  111820.0283  0.0048 -4.7701 3  232.2946456 -5951614042821 8 1    2820 9 1      C-13-H3C(O)CH3
  111846.0600  0.0084 -5.1445 3  131.4315328  5951614042019 2 2    2018 3 2      C-13-H3C(O)CH3
  111869.9100  0.0079 -4.7920 3  279.6224504 -595161404312210 2    312111 2      C-13-H3C(O)CH3
  111874.2614  0.0075 -5.1448 3  131.4982328  5951614042019 1 2    2018 2 2      C-13-H3C(O)CH3
  111878.5925  0.0053 -4.7806 3  232.3091456 -5951614042821 8 2    2820 9 2      C-13-H3C(O)CH3
  111880.9094  0.0128 -6.9659 3  478.3553664  595161404412715 1    412615 1      C-13-H3C(O)CH3
  111882.9886  0.0049 -4.7640 3  232.3434456 -5951614042821 7 0    2820 8 0      C-13-H3C(O)CH3
  111896.6840  0.0089 -7.1983 3  315.0696268  595161404332311 4    332211 4      C-13-H3C(O)CH3
  111905.6858  0.0230 -5.1210 3  573.0152728  595161404452916 1    452817 1      C-13-H3C(O)CH3
  111907.4545  0.0045 -4.7636 3  279.6422504 -595161404312210 0    312111 0      C-13-H3C(O)CH3
  111907.8967  0.0083 -5.1442 3  131.4187328  5951614042019 2 1    2018 3 1      C-13-H3C(O)CH3
  111912.8987  0.0051 -4.7808 3  232.3304456 -5951614042821 7 2    2820 8 2      C-13-H3C(O)CH3
  111937.0885  0.0020 -5.5061 3    8.6931 52  595161404 6 5 2 4     5 4 2 4      C-13-H3C(O)CH3
  111945.5223  0.0212 -6.5091 3  478.3353332  595161404412715 4    412615 4      C-13-H3C(O)CH3
  111957.3009  0.0057 -6.9218 3   68.9511132  59516140416 8 8 3    1511 5 3      C-13-H3C(O)CH3
  111959.9071  0.2506 -5.8264 3 1006.6468968  595161404603723 2    603624 2      C-13-H3C(O)CH3
  111981.0934  0.2178 -5.9421 3 1073.3588A00  595161404623824 0    623725 0      C-13-H3C(O)CH3
  111992.8273  0.0104 -7.4487 3  171.1403408  595161404251412 2    2417 7 2      C-13-H3C(O)CH3
  112001.2506  0.0082 -6.7079 3   68.9135264  59516140416 8 8 2    1511 5 2      C-13-H3C(O)CH3
  112014.7404  0.1853 -5.8260 3 1006.6441968  595161404603723 1    603624 1      C-13-H3C(O)CH3
  112023.5450  0.0093 -6.1795 3  315.0927536  595161404332311 2    332211 2      C-13-H3C(O)CH3
  112074.7779  0.0260 -6.2880 3  232.2841228  5951614042821 7 3    2820 9 3      C-13-H3C(O)CH3
  112076.0828  0.0194 -6.5027 3  478.3509664  595161404412715 2    412615 2      C-13-H3C(O)CH3
  112090.7997  0.0106 -7.4827 3  171.1416408  595161404251412 1    2417 7 1      C-13-H3C(O)CH3
  112106.0315  0.0186 -5.8546 3  279.5968252  5951614043122 9 3    312111 3      C-13-H3C(O)CH3
  112111.1480  0.0074 -5.9640 3  279.6224504  5951614043122 9 2    312111 2      C-13-H3C(O)CH3
  112123.6400  0.0052 -6.1894 3   56.1563116  5951614041410 4 3    14 7 7 3      C-13-H3C(O)CH3
  112124.1332  0.0048 -4.7622 3  232.3346456 -5951614042821 8 0    2820 9 0      C-13-H3C(O)CH3
  112132.9168  0.0085 -5.1432 3  131.4879328  5951614042019 1 0    2018 2 0      C-13-H3C(O)CH3
  112132.9348  0.0085 -5.1432 3  131.4879328  5951614042019 2 0    2018 3 0      C-13-H3C(O)CH3
  112167.0884  0.0070 -7.3371 3  171.1405408  595161404251412 0    2417 7 0      C-13-H3C(O)CH3
  112188.6975  0.0115 -5.4824 3  279.6166504  5951614043122 9 1    312111 1      C-13-H3C(O)CH3
  112219.8804  0.1744 -5.7148 3  942.0859936  595161404583622 0    583523 0      C-13-H3C(O)CH3
  112230.1513  0.0465 -5.1213 3  573.0076728  595161404452916 2    452817 2      C-13-H3C(O)CH3
  112233.3038  0.0051 -4.8405 3  388.4156600 -595161404372414 1    372315 1      C-13-H3C(O)CH3
  112234.7715  0.0197 -5.7466 3  279.5963252  5951614043122 9 4    312111 4      C-13-H3C(O)CH3
  112238.2839  0.0050 -4.8405 3  388.4361600 -595161404372414 0    372315 0      C-13-H3C(O)CH3
  112276.0496  0.0067 -4.8207 3  315.0906536 -595161404332310 1    332211 1      C-13-H3C(O)CH3
  112280.3505  0.0071 -5.0952 3  315.0696268  595161404332310 4    332211 4      C-13-H3C(O)CH3
  112288.4005  0.0066 -7.6096 3   18.1661136  595161404 8 7 1 1     8 4 5 1      C-13-H3C(O)CH3
  112289.9435  0.0246 -7.4563 3  478.3335332  595161404412715 3    412615 3      C-13-H3C(O)CH3
  112297.3396  0.0067 -7.6132 3   18.1654136  595161404 8 7 1 2     8 4 5 2      C-13-H3C(O)CH3
  112299.3016  0.0078 -6.7170 3   68.9074264  59516140416 8 8 1    1511 5 1      C-13-H3C(O)CH3
  112315.7402  0.0113 -6.5765 3   34.0123184  59516140411 8 3 2    10 9 2 2      C-13-H3C(O)CH3
  112321.8329  0.0042 -6.8109 3  135.0232376  59516140423 914 1    221211 1      C-13-H3C(O)CH3
  112324.5825  0.0026 -5.5137 3    8.6323104  595161404 6 5 2 1     5 4 2 1      C-13-H3C(O)CH3
  112326.4640  0.0039 -6.8063 3  135.0136376  59516140423 914 0    221211 0      C-13-H3C(O)CH3
  112339.0051  0.0059 -5.1425 3  388.3916300  595161404372414 4    372315 4      C-13-H3C(O)CH3
  112339.4783  0.2507 -5.9401 3 1073.3451A00  595161404623824 2    623725 2      C-13-H3C(O)CH3
  112347.7609  0.0075 -6.1020 3   49.2722216  5951614041310 3 0    13 7 6 0      C-13-H3C(O)CH3
  112357.0269  0.0056 -4.8408 3  388.4124600 -595161404372414 2    372315 2      C-13-H3C(O)CH3
  112360.8809  0.0126 -5.1465 3  315.0707268  595161404332310 3    332211 3      C-13-H3C(O)CH3
  112361.9886  0.0068 -5.1412 3  388.3919300  595161404372414 3    372315 3      C-13-H3C(O)CH3
  112364.2706  0.0022 -5.0156 3   99.1311164  59516140420 713 3    20 614 3      C-13-H3C(O)CH3
  112364.3502  0.0029 -5.0156 3   99.1311164  59516140420 713 4    20 614 4      C-13-H3C(O)CH3
  112364.7975  0.0022 -5.0156 3   99.1311164  59516140420 813 3    20 714 3      C-13-H3C(O)CH3
  112364.8718  0.0029 -5.0156 3   99.1311164  59516140420 813 4    20 714 4      C-13-H3C(O)CH3
  112365.6496  0.0041 -7.1133 3  135.0292188  59516140423 914 3    221211 3      C-13-H3C(O)CH3
  112366.7806  0.0050 -7.1132 3  135.0292188  59516140423 914 4    221211 4      C-13-H3C(O)CH3
  112367.0944  0.0030 -5.5731 3    8.6330104  595161404 6 5 2 2     5 4 2 2      C-13-H3C(O)CH3
  112370.9597  0.0042 -6.8076 3  135.0195376  59516140423 914 2    221211 2      C-13-H3C(O)CH3
  112372.8411  0.0015 -7.6670 3    8.7029 52  595161404 6 5 2 3     5 4 2 3      C-13-H3C(O)CH3
  112393.1489  0.0055 -4.7903 3  315.1129536  595161404332310 0    332211 0      C-13-H3C(O)CH3
  112420.3366  0.0451 -5.4175 3  572.9912364  595161404452916 3    452817 3      C-13-H3C(O)CH3
  112431.0650  0.1998 -5.9395 3 1073.3392A00  595161404623824 1    623725 1      C-13-H3C(O)CH3
  112449.6987  0.0086 -4.8081 3  315.0927536 -595161404332310 2    332211 2      C-13-H3C(O)CH3
  112479.3728  0.0022 -4.7132 3   99.1034328 -59516140420 713 2    20 614 2      C-13-H3C(O)CH3
  112479.8730  0.0022 -4.7132 3   99.1034328 -59516140420 813 2    20 714 2      C-13-H3C(O)CH3
  112489.7890  0.0022 -4.7133 3   99.1045328 -59516140420 713 1    20 614 1      C-13-H3C(O)CH3
  112490.3067  0.0022 -4.7133 3   99.1045328 -59516140420 813 1    20 714 1      C-13-H3C(O)CH3
  112496.7496  0.2084 -6.1242 3 1006.6280484  595161404603723 3    603624 3      C-13-H3C(O)CH3
  112521.4197  0.0024 -4.6578 3  212.6199456 -595161404281414 2    281315 2      C-13-H3C(O)CH3
  112525.8813  0.0026 -4.9590 3  212.6095228  595161404281414 3    281315 3      C-13-H3C(O)CH3
  112526.9834  0.0030 -4.9590 3  212.6095228  595161404281414 4    281315 4      C-13-H3C(O)CH3
  112527.0726  0.2242 -6.1243 3 1006.6285484  595161404603723 4    603624 4      C-13-H3C(O)CH3
  112537.4732  0.0084 -6.2891 3   49.3223216  5951614041310 3 1    13 7 6 1      C-13-H3C(O)CH3
  112548.2014  0.0034 -4.7459 3  320.9765552 -595161404342015 0    341916 0      C-13-H3C(O)CH3
  112551.7542  0.0214 -6.1749 3  232.3091456  5951614042821 7 2    2820 9 2      C-13-H3C(O)CH3
  112556.9145  0.0022 -4.6574 3  212.6339456 -595161404281414 0    281315 0      C-13-H3C(O)CH3
  112561.5752  0.0024 -4.6577 3  212.6236456 -595161404281414 1    281315 1      C-13-H3C(O)CH3
  112569.1188  0.0034 -4.7457 3  320.9495552 -595161404342015 2    341916 2      C-13-H3C(O)CH3
  112577.1065  0.0034 -4.7458 3  320.9551552 -595161404342015 1    341916 1      C-13-H3C(O)CH3
  112577.4658  0.0041 -7.5476 3  331.6688552  595161404342311 1    342213 1      C-13-H3C(O)CH3
  112593.5473  0.0099 -6.6072 3   34.0046184  59516140411 8 3 1    10 9 2 1      C-13-H3C(O)CH3
  112596.9269  0.0034 -5.0466 3  320.9282276  595161404342015 4    341916 4      C-13-H3C(O)CH3
  112598.0458  0.0033 -5.0466 3  320.9282276  595161404342015 3    341916 3      C-13-H3C(O)CH3
  112599.7425  0.0059 -6.0229 3   32.4229184  59516140411 7 5 1    10 8 2 1      C-13-H3C(O)CH3
  112604.6538  0.0021 -4.7119 3   99.0769328 -59516140420 713 0    20 614 0      C-13-H3C(O)CH3
  112605.1935  0.0021 -4.7119 3   99.0769328 -59516140420 813 0    20 714 0      C-13-H3C(O)CH3
  112612.8764  0.0059 -6.0083 3   32.4219184  59516140411 7 5 2    10 8 2 2      C-13-H3C(O)CH3
  112619.4381  0.0522 -5.4261 3  572.9929364  595161404452916 4    452817 4      C-13-H3C(O)CH3
  112619.9995  0.0046 -5.9232 3   56.1153232  5951614041410 4 1    14 7 7 1      C-13-H3C(O)CH3
  112622.6489  0.0065 -7.0207 3  102.5514164  59516140420 912 4    1910 9 4      C-13-H3C(O)CH3
  112623.4059  0.0093 -7.6663 3  171.1178204  595161404251412 3    2417 7 3      C-13-H3C(O)CH3
  112636.1113  0.0049 -6.7175 3  102.5320328  59516140420 912 1    1910 9 1      C-13-H3C(O)CH3
  112639.4972  0.0050 -7.0206 3  102.5508164  59516140420 912 3    1910 9 3      C-13-H3C(O)CH3
  112643.4063  0.0083 -6.2801 3   49.3178216  5951614041310 3 2    13 7 6 2      C-13-H3C(O)CH3
  112652.7111  0.0078 -7.3586 3  331.6471276  595161404342311 4    342213 4      C-13-H3C(O)CH3
  112665.1415  0.0049 -5.9153 3   56.1118232  5951614041410 4 2    14 7 7 2      C-13-H3C(O)CH3
  112665.5952  0.0093 -5.7147 3  122.0189156  5951614041919 1 3    1918 2 3      C-13-H3C(O)CH3
  112673.0284  0.0104 -5.7151 3  122.0909156  5951614041919 0 4    1918 1 4      C-13-H3C(O)CH3
  112676.3966  0.0038 -5.8826 3   56.0707232  5951614041410 4 0    14 7 7 0      C-13-H3C(O)CH3
  112698.9562  0.0097 -6.7276 3  331.6470276  595161404342311 3    342213 3      C-13-H3C(O)CH3
  112748.8810  0.0076 -6.6556 3  331.6690552  595161404342311 2    342213 2      C-13-H3C(O)CH3
  112754.6249  0.0050 -6.7135 3  102.5260328  59516140420 912 2    1910 9 2      C-13-H3C(O)CH3
  112758.5895  0.0045 -6.7115 3  102.5070328  59516140420 912 0    1910 9 0      C-13-H3C(O)CH3
  112758.6014  0.0052 -4.8539 3  407.1221616 -595161404382415 0    382316 0      C-13-H3C(O)CH3
  112786.6447  0.0050 -4.8537 3  407.1014616 -595161404382415 1    382316 1      C-13-H3C(O)CH3
  112787.6410  0.0179 -6.6043 3  232.2946456  5951614042821 7 1    2820 9 1      C-13-H3C(O)CH3
  112787.9637  0.1999 -6.2384 3 1073.3254500  595161404623824 3    623725 3      C-13-H3C(O)CH3
  112803.1440  0.0095 -5.7136 3  121.9507156  5951614041919 1 4    1918 2 4      C-13-H3C(O)CH3
  112807.4698  0.2133 -6.2384 3 1073.3258500  595161404623824 4    623725 4      C-13-H3C(O)CH3
  112810.9441  0.0096 -5.7140 3  122.0224156  5951614041919 0 3    1918 1 3      C-13-H3C(O)CH3
  112818.6225  0.0106 -6.9301 3   30.2426168  59516140410 9 1 0    10 6 4 0      C-13-H3C(O)CH3
  112824.9258  0.2309 -5.7115 3  942.0683936  595161404583622 2    583523 2      C-13-H3C(O)CH3
  112825.8000  0.1609 -5.7114 3  942.0685936  595161404583622 1    583523 1      C-13-H3C(O)CH3
  112828.9280  0.0154 -7.8063 3   41.2407100  59516140412 9 4 4    1110 1 4      C-13-H3C(O)CH3
  112865.2167  0.0220 -7.7492 3  100.4885156  5951614041911 8 4    1814 4 4      C-13-H3C(O)CH3
  112880.2377  0.0060 -5.1449 3  177.7404196  5951614042420 4 3    2419 5 3      C-13-H3C(O)CH3
  112883.0658  0.0056 -4.8533 3  407.0966616 -595161404382415 2    382316 2      C-13-H3C(O)CH3
  112902.2428  0.0054 -5.1542 3  407.0758308  595161404382415 4    382316 4      C-13-H3C(O)CH3
  112916.8326  0.0060 -5.1539 3  407.0760308  595161404382415 3    382316 3      C-13-H3C(O)CH3
  112921.0115  0.0049 -6.5990 3   20.7883 76  595161404 9 5 4 4     8 6 2 4      C-13-H3C(O)CH3
  112931.7801  0.0061 -6.2786 3   56.1569116  5951614041410 4 4    14 7 7 4      C-13-H3C(O)CH3
  112938.0813  0.0028 -4.9560 3  212.6110228  595161404281514 4    281415 4      C-13-H3C(O)CH3
  112938.1284  0.0024 -4.9560 3  212.6110228  595161404281514 3    281415 3      C-13-H3C(O)CH3
  112941.2122  0.0076 -5.1449 3  177.7852196  5951614042420 4 4    2419 5 4      C-13-H3C(O)CH3
  112942.4347  0.0023 -4.6547 3  212.6214456 -595161404281514 2    281415 2      C-13-H3C(O)CH3
  112958.8993  0.0090 -5.4123 3  122.0806312  5951614041919 0 1    1918 1 1      C-13-H3C(O)CH3
  112965.5552  0.0064 -5.1440 3  177.6891196  5951614042420 5 4    2419 6 4      C-13-H3C(O)CH3
  112970.6588  0.0023 -4.6547 3  212.6250456 -595161404281514 1    281415 1      C-13-H3C(O)CH3
  112974.9503  0.0022 -4.6544 3  212.6354456 -595161404281514 0    281415 0      C-13-H3C(O)CH3
  113013.9562  0.0151 -7.4636 3  100.4533312  5951614041911 8 2    1814 4 2      C-13-H3C(O)CH3
  113018.1402  0.0097 -5.4116 3  122.0237312  5951614041919 1 2    1918 2 2      C-13-H3C(O)CH3
  113022.8224  0.0024 -5.0479 3   87.0864156  59516140419 613 3    19 514 3      C-13-H3C(O)CH3
  113022.8976  0.0031 -5.0479 3   87.0865156  59516140419 613 4    19 514 4      C-13-H3C(O)CH3
  113022.9405  0.0024 -5.0479 3   87.0864156  59516140419 713 3    19 614 3      C-13-H3C(O)CH3
  113023.0143  0.0031 -5.0479 3   87.0865156  59516140419 713 4    19 614 4      C-13-H3C(O)CH3
  113025.6729  0.0062 -5.1441 3  177.7338196  5951614042420 5 3    2419 6 3      C-13-H3C(O)CH3
  113026.9392  0.0085 -5.4120 3  122.0956312  5951614041919 0 2    1918 1 2      C-13-H3C(O)CH3
  113060.3811  0.0105 -6.6398 3   49.3686108  5951614041310 3 4    13 7 6 4      C-13-H3C(O)CH3
  113095.6287  0.0094 -5.4112 3  122.0122312  5951614041919 1 1    1918 2 1      C-13-H3C(O)CH3
  113115.4627  0.0059 -4.8428 3  177.7840392 -5951614042420 4 1    2419 5 1      C-13-H3C(O)CH3
  113131.9860  0.0038 -5.8172 3   32.3552184  59516140411 7 5 0    10 8 2 0      C-13-H3C(O)CH3
  113143.8579  0.0050 -6.8210 3   20.7169152  595161404 9 5 4 2     8 6 2 2      C-13-H3C(O)CH3
  113153.6511  0.0164 -6.2731 3  352.6389284  595161404352412 3    352312 3      C-13-H3C(O)CH3
  113155.5105  0.0025 -4.7454 3   87.0518312 -59516140419 713 2    19 614 2      C-13-H3C(O)CH3
  113155.5105  0.0025 -4.7454 3   87.0518312 -59516140419 613 2    19 514 2      C-13-H3C(O)CH3
  113158.7600  0.0141 -6.2585 3  352.6386284  595161404352412 4    352312 4      C-13-H3C(O)CH3
  113159.5555  0.0113 -7.7198 3  258.4220504  595161404311616 1    301911 1      C-13-H3C(O)CH3
  113163.7250  0.0025 -4.7455 3   87.0528312 -59516140419 613 1    19 514 1      C-13-H3C(O)CH3
  113163.7250  0.0025 -4.7455 3   87.0528312 -59516140419 713 1    19 614 1      C-13-H3C(O)CH3
  113178.3738  0.0058 -4.8421 3  177.7478392 -5951614042420 5 2    2419 6 2      C-13-H3C(O)CH3
  113192.8361  0.0108 -7.2122 3   30.3028168  59516140410 9 1 1    10 6 4 1      C-13-H3C(O)CH3
  113198.1989  0.0058 -4.8420 3  177.7327392 -5951614042420 5 1    2419 6 1      C-13-H3C(O)CH3
  113198.5628  0.0045 -6.7359 3   20.7180152  595161404 9 5 4 1     8 6 2 1      C-13-H3C(O)CH3
  113240.9333  0.0055 -4.8422 3  177.7925392 -5951614042420 4 2    2419 5 2      C-13-H3C(O)CH3
  113265.2163  0.0189 -6.3122 3  434.2672316  595161404392614 4    392514 4      C-13-H3C(O)CH3
  113272.4348  0.0126 -5.9543 3  352.6601568  595161404352412 2    352312 2      C-13-H3C(O)CH3
  113287.5177  0.0059 -7.7050 3  348.8598284  595161404352312 4    352214 4      C-13-H3C(O)CH3
  113291.1861  0.0053 -7.6638 3  348.8599284  595161404352312 3    352214 3      C-13-H3C(O)CH3
  113293.4711  0.0103 -6.7989 3  434.2869632  595161404392614 1    392514 1      C-13-H3C(O)CH3
  113296.0931  0.0023 -4.7440 3   87.0183312 -59516140419 613 0    19 514 0      C-13-H3C(O)CH3
  113296.0931  0.0023 -4.7440 3   87.0183312 -59516140419 713 0    19 614 0      C-13-H3C(O)CH3
  113299.6738  0.0096 -7.0653 3   68.9068132  59516140416 8 8 4    1511 5 4      C-13-H3C(O)CH3
  113302.4736  0.0052 -7.3665 3  348.8808568  595161404352312 2    352214 2      C-13-H3C(O)CH3
  113307.8503  0.0292 -7.2792 3  232.2655228  5951614042821 7 4    2820 9 4      C-13-H3C(O)CH3
  113313.3617  0.0096 -5.4103 3  122.0853312  5951614041919 0 0    1918 1 0      C-13-H3C(O)CH3
  113313.3628  0.0096 -5.4103 3  122.0853312  5951614041919 1 0    1918 2 0      C-13-H3C(O)CH3
  113328.3677  0.0112 -7.7138 3  258.4121504  595161404311616 2    301911 2      C-13-H3C(O)CH3
  113341.9788  0.0105 -7.2150 3   30.2994168  59516140410 9 1 2    10 6 4 2      C-13-H3C(O)CH3
  113358.4523  0.0158 -7.4539 3  100.4513312  5951614041911 8 1    1814 4 1      C-13-H3C(O)CH3
  113367.0602  0.0036 -6.1265 3   32.4481 92  59516140411 7 5 3    10 8 2 3      C-13-H3C(O)CH3
  113389.6792  0.0100 -7.7100 3  258.4321504  595161404311616 0    301911 0      C-13-H3C(O)CH3
  113395.1340  0.0157 -5.0399 3  524.6136696  595161404432815 0    432716 0      C-13-H3C(O)CH3
  113411.9203  0.1978 -6.0090 3  942.0508468  595161404583622 3    583523 3      C-13-H3C(O)CH3
  113412.0160  0.0063 -4.8411 3  177.7912392  5951614042420 4 0    2419 5 0      C-13-H3C(O)CH3
  113416.4130  0.0063 -4.8410 3  177.7911392 -5951614042420 5 0    2419 6 0      C-13-H3C(O)CH3
  113439.7586  0.0153 -6.2362 3  434.2844632  595161404392614 2    392514 2      C-13-H3C(O)CH3
  113451.8532  0.0045 -6.8012 3  134.9856376  595161404231014 1    221111 1      C-13-H3C(O)CH3
  113458.7531  0.2151 -6.0093 3  942.0516468  595161404583622 4    583523 4      C-13-H3C(O)CH3
  113486.5454  0.0056 -7.1036 3  134.9919188  595161404231014 4    221111 4      C-13-H3C(O)CH3
  113491.0647  0.0044 -7.1036 3  134.9917188  595161404231014 3    221111 3      C-13-H3C(O)CH3
  113491.5016  0.0041 -6.7964 3  134.9748376  595161404231014 0    221111 0      C-13-H3C(O)CH3
  113529.0538  0.0045 -6.7977 3  134.9809376  595161404231014 2    221111 2      C-13-H3C(O)CH3
  113560.5774  0.0182 -7.0186 3  434.2658316  595161404392614 3    392514 3      C-13-H3C(O)CH3
  113563.8723  0.0090 -7.7105 3  183.3544212  595161404261413 4    2517 8 4      C-13-H3C(O)CH3
  113575.2917  0.0131 -7.1355 3  100.4146312  5951614041911 8 0    1814 5 0      C-13-H3C(O)CH3
  113577.9971  0.0026 -5.0936 3   75.6312148  59516140418 513 3    18 414 3      C-13-H3C(O)CH3
  113578.0203  0.0026 -5.0936 3   75.6312148  59516140418 613 3    18 514 3      C-13-H3C(O)CH3
  113578.0822  0.0033 -5.0936 3   75.6312148  59516140418 513 4    18 414 4      C-13-H3C(O)CH3
  113578.1051  0.0033 -5.0936 3   75.6312148  59516140418 613 4    18 514 4      C-13-H3C(O)CH3
  113602.1905  0.0172 -5.0415 3  524.5979696  595161404432815 1    432716 1      C-13-H3C(O)CH3
  113626.7883  0.0174 -6.1965 3  392.3697300  595161404372513 4    372413 4      C-13-H3C(O)CH3
  113679.4495  0.0083 -6.8582 3  392.3896600  595161404372513 1    372413 1      C-13-H3C(O)CH3
  113691.1214  0.0070 -7.3641 3  183.3547424  595161404261413 2    2517 8 2      C-13-H3C(O)CH3
  113706.9228  0.0124 -7.5075 3   30.3606 84  59516140410 9 1 4    10 6 4 4      C-13-H3C(O)CH3
  113727.8662  0.0028 -4.7909 3   75.5894296 -59516140418 613 2    18 514 2      C-13-H3C(O)CH3
  113727.8662  0.0028 -4.7909 3   75.5894296 -59516140418 513 2    18 414 2      C-13-H3C(O)CH3
  113731.3464  0.0066 -7.3504 3  183.3623424  595161404261413 0    2517 8 0      C-13-H3C(O)CH3
  113734.1463  0.0028 -4.7911 3   75.5901296 -59516140418 613 1    18 514 1      C-13-H3C(O)CH3
  113734.1463  0.0028 -4.7911 3   75.5901296 -59516140418 513 1    18 414 1      C-13-H3C(O)CH3
  113761.8772  0.0074 -7.3766 3  183.3567424  595161404261413 1    2517 8 1      C-13-H3C(O)CH3
  113789.9483  0.0139 -6.0425 3  392.3890600  595161404372513 2    372413 2      C-13-H3C(O)CH3
  113803.4951  0.0160 -6.6167 3  392.3689300  595161404372513 3    372413 3      C-13-H3C(O)CH3
  113809.1040  0.0066 -4.8178 3  352.6591568  595161404352411 1    352312 1      C-13-H3C(O)CH3
  113883.6860  0.0027 -4.7894 3   75.5484296 -59516140418 613 0    18 514 0      C-13-H3C(O)CH3
  113883.6860  0.0027 -4.7894 3   75.5484296 -59516140418 513 0    18 414 0      C-13-H3C(O)CH3
  113914.9160  0.0069 -7.6611 3  183.3426212  595161404261413 3    2517 8 3      C-13-H3C(O)CH3
  113919.6030  0.0064 -4.8172 3  352.6802568  595161404352411 0    352312 0      C-13-H3C(O)CH3
  113926.4805  0.0019 -5.2085 3    8.7029 52  595161404 6 5 1 3     5 4 2 3      C-13-H3C(O)CH3
  113940.4834  0.1411 -5.6004 3  879.6412904  595161404563521 0    563422 0      C-13-H3C(O)CH3
  113946.7795  0.0069 -4.7881 3  358.8668584 -595161404362016 2    361917 2      C-13-H3C(O)CH3
  113948.1247  0.0337 -5.0440 3  524.5916696  595161404432815 2    432716 2      C-13-H3C(O)CH3
  113969.0521  0.2194 -6.0530 3 1142.1598A32  595161404643925 0    643826 0      C-13-H3C(O)CH3
  113978.1264  0.0135 -5.1495 3  352.6389284  595161404352411 3    352312 3      C-13-H3C(O)CH3
  113985.0616  0.0152 -5.1506 3  352.6386284  595161404352411 4    352312 4      C-13-H3C(O)CH3
  113998.9350  0.0085 -5.0888 3  358.8440292  595161404362016 3    361917 3      C-13-H3C(O)CH3
  114000.7075  0.0307 -6.4208 3  264.5328244  5951614043022 9 4    3021 9 4      C-13-H3C(O)CH3
  114002.8722  0.0077 -5.0888 3  358.8440292  595161404362016 4    361917 4      C-13-H3C(O)CH3
  114014.9384  0.0051 -4.7878 3  358.8960584 -595161404362016 0    361917 0      C-13-H3C(O)CH3
  114030.3390  0.0329 -5.3380 3  524.5751348  595161404432815 3    432716 3      C-13-H3C(O)CH3
  114043.6386  0.0029 -5.1579 3   64.7676140  59516140417 413 3    17 314 3      C-13-H3C(O)CH3
  114043.6425  0.0029 -5.1579 3   64.7676140  59516140417 513 3    17 414 3      C-13-H3C(O)CH3
  114043.7451  0.0035 -5.1579 3   64.7676140  59516140417 413 4    17 314 4      C-13-H3C(O)CH3
  114043.7489  0.0035 -5.1579 3   64.7676140  59516140417 513 4    17 414 4      C-13-H3C(O)CH3
  114053.1511  0.0230 -7.7256 3  218.8196440  5951614042721 7 2    2720 7 2      C-13-H3C(O)CH3
  114067.2475  0.0064 -4.7874 3  358.8732584 -595161404362016 1    361917 1      C-13-H3C(O)CH3
  114095.1699  0.0122 -4.8492 3  352.6601568 -595161404352411 2    352312 2      C-13-H3C(O)CH3
  114105.1547  0.0040 -7.8087 3   32.4235 92  59516140411 7 5 3    10 8 3 3      C-13-H3C(O)CH3
  114145.3916  0.0021 -4.9017 3    8.5678104 -595161404 6 5 1 0     5 4 2 0      C-13-H3C(O)CH3
  114192.4516  0.2258 -6.0516 3 1142.1491A32  595161404643925 2    643826 2      C-13-H3C(O)CH3
  114210.3453  0.0033 -4.8551 3   64.7182280 -59516140417 513 2    17 414 2      C-13-H3C(O)CH3
  114210.3453  0.0033 -4.8551 3   64.7182280 -59516140417 413 2    17 314 2      C-13-H3C(O)CH3
  114211.5058  0.0078 -6.6270 3   51.2145216  5951614041311 3 0    1212 0 0      C-13-H3C(O)CH3
  114214.8859  0.0033 -4.8553 3   64.7188280 -59516140417 513 1    17 414 1      C-13-H3C(O)CH3
  114214.8859  0.0033 -4.8553 3   64.7188280 -59516140417 413 1    17 314 1      C-13-H3C(O)CH3
  114237.5044  0.0051 -4.8173 3  370.1985584 -595161404362413 1    362314 1      C-13-H3C(O)CH3
  114250.1471  0.0079 -6.6266 3   51.2145216  5951614041311 2 0    1212 1 0      C-13-H3C(O)CH3
  114258.0875  0.0113 -7.1484 3   34.0117 92  59516140411 8 3 4    10 9 2 4      C-13-H3C(O)CH3
  114259.1364  0.0398 -5.3528 3  524.5769348  595161404432815 4    432716 4      C-13-H3C(O)CH3
  114282.0498  0.0050 -4.8169 3  370.2194584 -595161404362413 0    362314 0      C-13-H3C(O)CH3
  114296.1039  0.0079 -6.6256 3   51.2743216  5951614041311 2 2    1212 0 2      C-13-H3C(O)CH3
  114297.6989  0.0069 -5.1265 3  370.1764292  595161404362413 4    362314 4      C-13-H3C(O)CH3
  114298.0275  0.2017 -6.0510 3 1142.1400A32  595161404643925 1    643826 1      C-13-H3C(O)CH3
  114323.3516  0.0043 -5.0093 3    8.6330104  595161404 6 5 1 2     5 4 2 2      C-13-H3C(O)CH3
  114325.9268  0.0077 -5.1220 3  370.1767292  595161404362413 3    362314 3      C-13-H3C(O)CH3
  114343.3669  0.0172 -5.9219 3  264.5493488  5951614043022 9 1    3021 9 1      C-13-H3C(O)CH3
  114354.8449  0.0942 -6.1047 3 1002.8135484  595161404603624 3    603525 3      C-13-H3C(O)CH3
  114356.9357  0.0060 -4.8231 3  370.1976584 -595161404362413 2    362314 2      C-13-H3C(O)CH3
  114364.9833  0.0914 -6.1047 3 1002.8137484  595161404603624 4    603525 4      C-13-H3C(O)CH3
  114372.7806  0.0040 -5.0281 3    8.6323104  595161404 6 5 1 1     5 4 2 1      C-13-H3C(O)CH3
  114381.2440  0.0031 -4.8534 3   64.6696280 -59516140417 413 0    17 314 0      C-13-H3C(O)CH3
  114381.2440  0.0031 -4.8534 3   64.6696280 -59516140417 513 0    17 414 0      C-13-H3C(O)CH3
  114395.8283  0.0287 -7.3156 3  218.7811220  5951614042721 7 3    2720 7 3      C-13-H3C(O)CH3
  114431.5721  0.0032 -5.2509 3   54.4974132  59516140416 313 3    16 214 3      C-13-H3C(O)CH3
  114431.5726  0.0032 -5.2509 3   54.4974132  59516140416 413 3    16 314 3      C-13-H3C(O)CH3
  114431.7100  0.0038 -5.2509 3   54.4974132  59516140416 313 4    16 214 4      C-13-H3C(O)CH3
  114431.7105  0.0038 -5.2509 3   54.4974132  59516140416 413 4    16 314 4      C-13-H3C(O)CH3
  114450.1141  0.0083 -6.6241 3   51.2669216  5951614041311 2 1    1212 0 1      C-13-H3C(O)CH3
  114467.5715  0.0023 -4.9420 3  195.8983220 -595161404271314 3    271215 3      C-13-H3C(O)CH3
  114468.2417  0.0028 -4.9420 3  195.8984220 -595161404271314 4    271215 4      C-13-H3C(O)CH3
  114475.8810  0.0941 -5.8035 3 1002.8283968  595161404603624 2    603525 2      C-13-H3C(O)CH3
  114476.9399  0.0031 -4.7140 3  300.8339536 -595161404331915 0    331816 0      C-13-H3C(O)CH3
  114478.0984  0.0067 -6.2635 3   32.3597184  59516140411 7 5 2    10 8 3 2      C-13-H3C(O)CH3
  114482.3663  0.0116 -7.0547 3   41.1706200  59516140412 9 4 1    1110 1 1      C-13-H3C(O)CH3
  114482.4651  0.0022 -4.6405 3  195.9053440 -595161404271314 2    271215 2      C-13-H3C(O)CH3
  114483.1326  0.0032 -4.7139 3  300.8081536 -595161404331915 2    331816 2      C-13-H3C(O)CH3
  114489.8320  0.0871 -5.8034 3 1002.8252968  595161404603624 1    603525 1      C-13-H3C(O)CH3
  114504.3520  0.0032 -4.7139 3  300.8133536 -595161404331915 1    331816 1      C-13-H3C(O)CH3
  114509.9039  0.0034 -5.0148 3  300.7875268  595161404331915 4    331816 4      C-13-H3C(O)CH3
  114510.6007  0.0032 -5.0148 3  300.7875268  595161404331915 3    331816 3      C-13-H3C(O)CH3
  114513.2515  0.0022 -4.6405 3  195.9085440 -595161404271314 1    271215 1      C-13-H3C(O)CH3
  114516.6179  0.0104 -6.9239 3   51.3268108  5951614041311 2 4    1212 0 4      C-13-H3C(O)CH3
  114524.0957  0.1675 -6.3506 3 1142.1293516  595161404643925 3    643826 3      C-13-H3C(O)CH3
  114527.9586  0.0021 -4.6401 3  195.9155440 -595161404271314 0    271215 0      C-13-H3C(O)CH3
  114534.4906  0.0254 -6.0264 3  264.5261244  5951614043022 9 3    3021 9 3      C-13-H3C(O)CH3
  114534.7872  0.0088 -7.6881 3  395.2937324  595161404401426 3    391723 3      C-13-H3C(O)CH3
  114534.7983  0.0088 -7.6881 3  395.2937324  595161404401526 3    391623 3      C-13-H3C(O)CH3
  114534.8615  0.0088 -7.6880 3  395.2936324  595161404401426 4    391723 4      C-13-H3C(O)CH3
  114534.8725  0.0088 -7.6880 3  395.2936324  595161404401526 4    391623 4      C-13-H3C(O)CH3
  114536.3875  0.1775 -6.3506 3 1142.1295516  595161404643925 4    643826 4      C-13-H3C(O)CH3
  114539.2877  0.0114 -6.9874 3   41.1733200  59516140412 9 4 2    1110 1 2      C-13-H3C(O)CH3
  114540.8694  0.0090 -7.3870 3  395.3227648  595161404401426 1    391723 1      C-13-H3C(O)CH3
  114540.8794  0.0090 -7.3870 3  395.3227648  595161404401526 1    391623 1      C-13-H3C(O)CH3
  114561.0531  0.0090 -7.3846 3  395.3205648  595161404401426 2    391723 2      C-13-H3C(O)CH3
  114561.0637  0.0090 -7.3846 3  395.3205648  595161404401526 2    391623 2      C-13-H3C(O)CH3
  114567.0682  0.0077 -7.3847 3  395.3494648  595161404401426 0    391723 0      C-13-H3C(O)CH3
  114567.0777  0.0077 -7.3847 3  395.3494648  595161404401526 0    391623 0      C-13-H3C(O)CH3
  114567.8255  0.1311 -5.5970 3  879.6255904  595161404563521 1    563422 1      C-13-H3C(O)CH3
  114582.7622  0.0117 -4.9679 3  478.3718664  595161404412714 0    412615 0      C-13-H3C(O)CH3
  114593.1738  0.0056 -5.0758 3  218.7811220  5951614042721 6 3    2720 7 3      C-13-H3C(O)CH3
  114614.6547  0.0038 -4.9479 3   54.4403264 -59516140416 313 2    16 214 2      C-13-H3C(O)CH3
  114614.6547  0.0038 -4.9479 3   54.4403264 -59516140416 413 2    16 314 2      C-13-H3C(O)CH3
  114615.7838  0.0882 -5.8031 3 1002.8398968  595161404603624 0    603525 0      C-13-H3C(O)CH3
  114617.6503  0.0038 -4.9481 3   54.4409264 -59516140416 413 1    16 314 1      C-13-H3C(O)CH3
  114617.6503  0.0038 -4.9481 3   54.4409264 -59516140416 313 1    16 214 1      C-13-H3C(O)CH3
  114624.9712  0.0027 -4.9408 3  195.8989220 -595161404271414 4    271315 4      C-13-H3C(O)CH3
  114624.9712  0.0022 -4.9408 3  195.8988220 -595161404271414 3    271315 3      C-13-H3C(O)CH3
  114630.7301  0.1991 -5.5968 3  879.6230904  595161404563521 2    563422 2      C-13-H3C(O)CH3
  114636.7665  0.0078 -6.6228 3   51.1921216  5951614041311 3 2    1212 1 2      C-13-H3C(O)CH3
  114643.0788  0.1002 -5.9342 3  905.0363460  595161404573423 3    573324 3      C-13-H3C(O)CH3
  114643.5809  0.0022 -4.6394 3  195.9058440 -595161404271414 2    271315 2      C-13-H3C(O)CH3
  114652.8372  0.0979 -5.9341 3  905.0365460  595161404573423 4    573324 4      C-13-H3C(O)CH3
  114652.8915  0.0057 -6.2375 3   32.3544184  59516140411 7 5 1    10 8 3 1      C-13-H3C(O)CH3
  114660.5305  0.0060 -5.0726 3  218.7430220  5951614042721 7 4    2720 8 4      C-13-H3C(O)CH3
  114669.3865  0.0022 -4.6394 3  195.9090440 -595161404271414 1    271315 1      C-13-H3C(O)CH3
  114672.7033  0.0058 -6.7988 3   32.9321 92  59516140411 7 4 3    11 4 7 3      C-13-H3C(O)CH3
  114672.8194  0.0070 -5.0732 3  218.8078220  5951614042721 6 4    2720 7 4      C-13-H3C(O)CH3
  114674.0914  0.0121 -7.6823 3  540.7238760  595161404471631 1    461928 1      C-13-H3C(O)CH3
  114674.0915  0.0121 -7.6826 3  540.7238760  595161404471731 1    461828 1      C-13-H3C(O)CH3
  114683.5217  0.0126 -7.6801 3  540.7226760  595161404471631 2    461928 2      C-13-H3C(O)CH3
  114683.5218  0.0126 -7.6801 3  540.7226760  595161404471731 2    461828 2      C-13-H3C(O)CH3
  114684.5048  0.0082 -6.6227 3   51.1812216  5951614041311 3 1    1212 1 1      C-13-H3C(O)CH3
  114688.0135  0.0021 -4.6389 3  195.9160440 -595161404271414 0    271315 0      C-13-H3C(O)CH3
  114701.5145  0.0137 -4.9716 3  478.3553664  595161404412714 1    412615 1      C-13-H3C(O)CH3
  114714.0613  0.0053 -6.4894 3   32.8757184  59516140411 7 4 2    11 4 7 2      C-13-H3C(O)CH3
  114719.6152  0.0115 -5.1294 3  314.9718268  595161404332311 3    332212 3      C-13-H3C(O)CH3
  114733.1555  0.0082 -7.7653 3    9.6743 52  595161404 6 6 1 4     5 5 0 4      C-13-H3C(O)CH3
  114738.4080  0.0056 -5.0750 3  218.7697220  5951614042721 7 3    2720 8 3      C-13-H3C(O)CH3
  114739.2421  0.0101 -7.6807 3  540.7467760  595161404471631 0    461928 0      C-13-H3C(O)CH3
  114739.2422  0.0101 -7.6801 3  540.7467760  595161404471731 0    461828 0      C-13-H3C(O)CH3
  114744.6056  0.0068 -5.2014 3  166.3117188  5951614042320 4 3    2319 4 3      C-13-H3C(O)CH3
  114745.4974  0.0070 -4.8026 3  314.9927536 -595161404332311 1    332212 1      C-13-H3C(O)CH3
  114749.3263  0.0093 -6.9265 3   51.2410108  5951614041311 3 3    1212 1 3      C-13-H3C(O)CH3
  114752.0809  0.0035 -5.3955 3   44.8225124  59516140415 213 3    15 114 3      C-13-H3C(O)CH3
  114752.0810  0.0035 -5.3955 3   44.8225124  59516140415 313 3    15 214 3      C-13-H3C(O)CH3
  114752.2590  0.0042 -5.3955 3   44.8225124  59516140415 313 4    15 214 4      C-13-H3C(O)CH3
  114752.2590  0.0042 -5.3955 3   44.8225124  59516140415 213 4    15 114 4      C-13-H3C(O)CH3
  114752.7008  0.0062 -6.8005 3   32.9322 92  59516140411 7 4 4    11 4 7 4      C-13-H3C(O)CH3
  114777.5428  0.0051 -4.7717 3  218.8151440 -5951614042721 6 1    2720 7 1      C-13-H3C(O)CH3
  114779.8587  0.0552 -7.6573 3  705.2062808  595161404503219 1    503119 1      C-13-H3C(O)CH3
  114786.1885  0.0084 -5.2016 3  166.3629188  5951614042320 3 4    2319 4 4      C-13-H3C(O)CH3
  114788.4179  0.0051 -6.4927 3   32.8767184  59516140411 7 4 1    11 4 7 1      C-13-H3C(O)CH3
  114790.2137  0.0090 -4.8605 3  392.3896600 -595161404372512 1    372413 1      C-13-H3C(O)CH3
  114790.9792  0.0045 -6.4835 3   32.8204184  59516140411 7 4 0    11 4 7 0      C-13-H3C(O)CH3
  114799.6913  0.0186 -5.4249 3  264.5510488  5951614043022 9 2    3021 9 2      C-13-H3C(O)CH3
  114800.3269  0.0037 -4.9461 3   54.3840264 -59516140416 413 0    16 314 0      C-13-H3C(O)CH3
  114800.3269  0.0037 -4.9461 3   54.3840264 -59516140416 313 0    16 214 0      C-13-H3C(O)CH3
  114805.6356  0.0073 -5.0768 3  314.9726268  595161404332311 4    332212 4      C-13-H3C(O)CH3
  114817.0003  0.0137 -7.7178 3  253.9958488  595161404301912 0    2922 7 0      C-13-H3C(O)CH3
  114820.5703  0.0058 -7.1186 3  272.3179536  595161404331221 0    321518 0      C-13-H3C(O)CH3
  114822.3888  0.0058 -7.1186 3  272.3179536  595161404331321 0    321418 0      C-13-H3C(O)CH3
  114825.7987  0.0068 -7.1218 3  272.2983536  595161404331221 1    321518 1      C-13-H3C(O)CH3
  114827.6032  0.0068 -7.1218 3  272.2982536  595161404331321 1    321418 1      C-13-H3C(O)CH3
  114835.0675  0.0076 -4.8560 3  392.4091600 -595161404372512 0    372413 0      C-13-H3C(O)CH3
  114837.8683  0.0036 -4.6959 3  281.2131520 -595161404321715 2    321616 2      C-13-H3C(O)CH3
  114839.9655  0.0050 -4.7710 3  218.7772440 -5951614042721 7 1    2720 8 1      C-13-H3C(O)CH3
  114853.2361  0.0072 -5.2004 3  166.2570188  5951614042320 4 4    2319 5 4      C-13-H3C(O)CH3
  114854.7132  0.0052 -4.7712 3  218.7928440 -5951614042721 7 2    2720 8 2      C-13-H3C(O)CH3
  114859.6175  0.0067 -7.1189 3  272.2952536  595161404331221 2    321518 2      C-13-H3C(O)CH3
  114859.6178  0.0087 -6.9250 3   51.2445108  5951614041311 2 3    1212 0 3      C-13-H3C(O)CH3
  114860.2992  0.0997 -5.6324 3  905.0496920  595161404573423 2    573324 2      C-13-H3C(O)CH3
  114861.5063  0.0067 -7.1189 3  272.2951536  595161404331321 2    321418 2      C-13-H3C(O)CH3
  114864.6431  0.0031 -4.6958 3  281.2375520 -595161404321715 0    321616 0      C-13-H3C(O)CH3
  114864.8098  0.0065 -7.4231 3  272.2756268  595161404331221 3    321518 3      C-13-H3C(O)CH3
  114864.8233  0.0067 -7.4231 3  272.2755268  595161404331221 4    321518 4      C-13-H3C(O)CH3
  114866.6854  0.0065 -7.4231 3  272.2755268  595161404331321 3    321418 3      C-13-H3C(O)CH3
  114866.6908  0.0067 -7.4231 3  272.2755268  595161404331321 4    321418 4      C-13-H3C(O)CH3
  114880.2957  0.0044 -4.9968 3  281.1938260 -595161404321715 3    321616 3      C-13-H3C(O)CH3
  114881.1013  0.0080 -5.1064 3  264.5261244 -5951614043022 8 3    3021 9 3      C-13-H3C(O)CH3
  114882.5799  0.0043 -4.9968 3  281.1938260 -595161404321715 4    321616 4      C-13-H3C(O)CH3
  114888.6069  0.0728 -5.6322 3  905.0499920  595161404573423 1    573324 1      C-13-H3C(O)CH3
  114894.5259  0.0071 -5.2006 3  166.3081188  5951614042320 3 3    2319 5 3      C-13-H3C(O)CH3
  114902.5351  0.0147 -7.4006 3  100.3903312  5951614041911 8 2    1814 5 2      C-13-H3C(O)CH3
  114905.7678  0.0048 -4.7720 3  315.0166536 -595161404332311 0    332212 0      C-13-H3C(O)CH3
  114907.2246  0.0037 -4.6956 3  281.2181520 -595161404321715 1    321616 1      C-13-H3C(O)CH3
  114913.4193  0.0068 -4.7902 3  314.9963536 -595161404332311 2    332212 2      C-13-H3C(O)CH3
  114916.8456  0.0030 -6.6087 3   93.5666312  59516140419 811 0    1811 8 0      C-13-H3C(O)CH3
  114931.7774  0.0049 -4.7712 3  218.8196440 -5951614042721 6 2    2720 7 2      C-13-H3C(O)CH3
  114935.7535  0.0286 -7.3112 3  218.7697220  5951614042721 6 3    2720 8 3      C-13-H3C(O)CH3
  114947.1632  0.0048 -5.5176 3    8.6931 52  595161404 6 5 1 4     5 4 2 4      C-13-H3C(O)CH3
  114950.9867  0.0044 -5.0924 3   44.7577248  59516140415 213 2    15 114 2      C-13-H3C(O)CH3
  114950.9868  0.0044 -5.0924 3   44.7577248  59516140415 313 2    15 214 2      C-13-H3C(O)CH3
  114952.6246  0.0044 -5.0926 3   44.7582248  59516140415 213 1    15 114 1      C-13-H3C(O)CH3
  114952.6246  0.0044 -5.0926 3   44.7582248  59516140415 313 1    15 214 1      C-13-H3C(O)CH3
  114956.3677  0.0033 -6.6131 3   93.5893312  59516140419 811 1    1811 8 1      C-13-H3C(O)CH3
  114961.4141  0.0032 -6.6104 3   93.5870312  59516140419 811 2    1811 8 2      C-13-H3C(O)CH3
  114981.9111  0.0032 -6.9159 3   93.6104156  59516140419 811 3    1811 8 3      C-13-H3C(O)CH3
  114984.9984  0.0931 -7.4100 3  705.2010808  595161404503219 2    503119 2      C-13-H3C(O)CH3
  114985.7377  0.0075 -6.8731 3   74.3006140  59516140417 810 4    16 9 7 4      C-13-H3C(O)CH3
  114994.9091  0.0067 -4.8993 3  166.3608376 -5951614042320 3 1    2319 4 1      C-13-H3C(O)CH3
  115002.6999  0.0149 -5.1713 3  392.3689300  595161404372512 3    372413 3      C-13-H3C(O)CH3
  115005.1164  0.0165 -7.5909 3  100.4160156  5951614041911 8 3    1814 5 3      C-13-H3C(O)CH3
  115009.7138  0.0054 -4.7702 3  218.8277440  5951614042721 6 0    2720 7 0      C-13-H3C(O)CH3
  115014.2200  0.0039 -5.6652 3   35.7446116  59516140414 213 3    14 114 3      C-13-H3C(O)CH3
  115014.2200  0.0039 -5.6652 3   35.7446116  59516140414 113 3    14 014 3      C-13-H3C(O)CH3
  115014.3547  0.0076 -5.0757 3  264.5328244  5951614043022 8 4    3021 9 4      C-13-H3C(O)CH3
  115014.4460  0.0045 -5.6652 3   35.7446116  59516140414 213 4    14 114 4      C-13-H3C(O)CH3
  115014.4460  0.0045 -5.6652 3   35.7446116  59516140414 113 4    14 014 4      C-13-H3C(O)CH3
  115020.0812  0.0036 -6.9158 3   93.6091156  59516140419 811 4    1811 8 4      C-13-H3C(O)CH3
  115020.5676  0.0055 -4.7861 3  264.5493488 -5951614043022 8 1    3021 9 1      C-13-H3C(O)CH3
  115023.8052  0.0057 -6.8729 3   74.2992140  59516140417 810 3    16 9 7 3      C-13-H3C(O)CH3
  115042.7289  0.0240 -5.2688 3  478.3335332  595161404412714 3    412615 3      C-13-H3C(O)CH3
  115056.1540  0.0249 -4.9782 3  478.3509664  595161404412714 2    412615 2      C-13-H3C(O)CH3
  115059.0329  0.0067 -4.8986 3  166.3207376 -5951614042320 4 2    2319 5 2      C-13-H3C(O)CH3
  115062.5783  0.0054 -4.7698 3  218.8258440 -5951614042721 7 0    2720 8 0      C-13-H3C(O)CH3
  115069.2080  0.0093 -4.9063 3  434.3047632  595161404392613 0    392514 0      C-13-H3C(O)CH3
  115079.3413  0.0057 -6.5685 3   74.2666280  59516140417 810 1    16 9 7 1      C-13-H3C(O)CH3
  115080.5542  0.0069 -5.0746 3  264.4967244  5951614043022 9 4    302110 4      C-13-H3C(O)CH3
  115085.6180  0.0050 -4.7550 3  264.5700488  5951614043022 8 0    3021 9 0      C-13-H3C(O)CH3
  115086.6012  0.0033 -7.7865 3   63.1960124  5951614041510 6 4    15 7 8 4      C-13-H3C(O)CH3
  115088.0814  0.0091 -6.9197 3   51.1588108  5951614041311 3 4    1212 1 4      C-13-H3C(O)CH3
  115101.5919  0.0067 -4.8983 3  166.3061376 -5951614042320 4 1    2319 5 1      C-13-H3C(O)CH3
  115102.3135  0.0062 -4.8988 3  166.3718376 -5951614042320 3 2    2319 4 2      C-13-H3C(O)CH3
  115103.6791  0.0113 -4.9117 3  434.2869632  595161404392613 1    392514 1      C-13-H3C(O)CH3
  115109.2337  0.0737 -5.6315 3  905.0629920  595161404573423 0    573324 0      C-13-H3C(O)CH3
  115121.9949  0.0152 -4.8838 3  392.3890600 -595161404372512 2    372413 2      C-13-H3C(O)CH3
  115129.7074  0.0196 -5.1973 3  392.3697300  595161404372512 4    372413 4      C-13-H3C(O)CH3
  115135.3136  0.0085 -4.8596 3  264.5510488 -5951614043022 8 2    3021 9 2      C-13-H3C(O)CH3
  115151.0849  0.0043 -5.0904 3   44.6934248  59516140415 313 0    15 214 0      C-13-H3C(O)CH3
  115151.0849  0.0043 -5.0904 3   44.6934248  59516140415 213 0    15 114 0      C-13-H3C(O)CH3
  115189.3021  0.0057 -7.1795 3  314.9726268  595161404332310 4    332212 4      C-13-H3C(O)CH3
  115204.5338  0.0054 -4.7846 3  264.5206488 -5951614043022 9 1    302110 1      C-13-H3C(O)CH3
  115209.1315  0.0073 -5.9479 3  314.9927536  595161404332310 1    332212 1      C-13-H3C(O)CH3
  115210.7508  0.0079 -5.1042 3  264.5035244  5951614043022 9 3    302110 3      C-13-H3C(O)CH3
  115224.0597  0.1746 -5.8941 3  879.6072452  595161404563521 3    563422 3      C-13-H3C(O)CH3
  115228.3090  0.0051 -5.3620 3   35.6719232  59516140414 213 2    14 114 2      C-13-H3C(O)CH3
  115228.3090  0.0051 -5.3620 3   35.6719232  59516140414 113 2    14 014 2      C-13-H3C(O)CH3
  115228.7379  0.0051 -5.3622 3   35.6724232  59516140414 113 1    14 014 1      C-13-H3C(O)CH3
  115228.7379  0.0051 -5.3621 3   35.6724232  59516140414 213 1    14 114 1      C-13-H3C(O)CH3
  115231.8901  0.0059 -6.5636 3   74.2597280  59516140417 810 2    16 9 7 2      C-13-H3C(O)CH3
  115253.6574  0.0883 -5.9802 3 1105.4971A16  595161404633825 2    633726 2      C-13-H3C(O)CH3
  115267.4892  0.1195 -5.9805 3 1105.5066A16  595161404633825 0    633726 0      C-13-H3C(O)CH3
  115277.7692  0.0764 -7.2556 3  705.1920404  595161404503219 4    503119 4      C-13-H3C(O)CH3
  115278.2076  0.0703 -6.2807 3 1105.4800508  595161404633825 3    633726 3      C-13-H3C(O)CH3
  115278.2766  0.0307 -5.2911 3  478.3353332  595161404412714 4    412615 4      C-13-H3C(O)CH3
  115286.6483  0.1144 -5.9800 3 1105.4897A16  595161404633825 1    633726 1      C-13-H3C(O)CH3
  115287.5536  0.0682 -6.2807 3 1105.4802508  595161404633825 4    633726 4      C-13-H3C(O)CH3
  115295.7446  0.1925 -5.8948 3  879.6082452  595161404563521 4    563422 4      C-13-H3C(O)CH3
  115304.4684  0.0054 -6.5602 3   74.2266280  59516140417 810 0    16 9 7 0      C-13-H3C(O)CH3
  115310.2053  0.0071 -4.8975 3  166.3697376  5951614042320 3 0    2319 4 0      C-13-H3C(O)CH3
  115310.8482  0.0071 -4.8975 3  166.3696376 -5951614042320 4 0    2319 5 0      C-13-H3C(O)CH3
  115326.8470  0.0175 -5.9916 3  314.9718268  595161404332310 3    332212 3      C-13-H3C(O)CH3
  115336.2808  0.0089 -4.8577 3  264.5331488 -5951614043022 9 2    302110 2      C-13-H3C(O)CH3
  115339.6248  0.0103 -6.1540 3  314.9963536  595161404332310 2    332212 2      C-13-H3C(O)CH3
  115370.6802  0.0181 -5.2122 3  434.2658316  595161404392613 3    392514 3      C-13-H3C(O)CH3
  115442.3004  0.0050 -5.3599 3   35.5998232 -59516140414 113 0    14 014 0      C-13-H3C(O)CH3
  115442.3004  0.0050 -5.3599 3   35.5998232 -59516140414 213 0    14 114 0      C-13-H3C(O)CH3
  115454.5074  0.0190 -4.9252 3  434.2844632  595161404392613 2    392514 2      C-13-H3C(O)CH3
  115517.1853  0.0049 -4.7518 3  264.5541488 -5951614043022 9 0    302110 0      C-13-H3C(O)CH3
  115520.7109  0.0147 -7.3929 3  100.3792312  5951614041911 8 1    1814 5 1      C-13-H3C(O)CH3
  115527.7919  0.0058 -6.4149 3   32.3735 92  59516140411 7 5 4    10 8 3 4      C-13-H3C(O)CH3
  115545.8870  0.0139 -7.3853 3   78.8476140  59516140417 9 8 4    1612 4 4      C-13-H3C(O)CH3
  115557.2460  0.0254 -6.0186 3  264.5035244  5951614043022 8 3    302110 3      C-13-H3C(O)CH3
  115575.3559  0.0242 -5.2405 3  434.2672316  595161404392613 4    392514 4      C-13-H3C(O)CH3
  115642.9281  0.0876 -5.7713 3  812.1621436  595161404543222 3    543123 3      C-13-H3C(O)CH3
  115651.6641  0.0860 -5.7713 3  812.1623436  595161404543222 4    543123 4      C-13-H3C(O)CH3
  115671.9750  0.0179 -5.4191 3  264.5331488  5951614043022 8 2    302110 2      C-13-H3C(O)CH3
  115733.4126  0.0226 -7.7138 3  218.7928440  5951614042721 6 2    2720 8 2      C-13-H3C(O)CH3
  115826.4218  0.0062 -6.0785 3   41.1036200  59516140412 9 4 0    1110 1 0      C-13-H3C(O)CH3
  115876.0009  0.0056 -6.6050 3   50.3998116  59516140414 7 8 4    13 8 5 4      C-13-H3C(O)CH3
  115881.7997  0.0167 -5.9109 3  264.5206488  5951614043022 8 1    302110 1      C-13-H3C(O)CH3
  115897.3967  0.0876 -5.4693 3  812.1750872  595161404543222 2    543123 2      C-13-H3C(O)CH3
  115934.7942  0.0050 -6.6039 3   50.3978116  59516140414 7 8 3    13 8 5 3      C-13-H3C(O)CH3
  115946.8149  0.0048 -6.8669 3  171.6777424  595161404261016 1    251313 1      C-13-H3C(O)CH3
  115947.3795  0.0043 -6.8627 3  171.6787424  595161404261016 0    251313 0      C-13-H3C(O)CH3
  115959.6219  0.0558 -5.4690 3  812.1780872  595161404543222 1    543123 1      C-13-H3C(O)CH3
  115995.7037  0.0054 -7.1689 3  171.6728212  595161404261016 4    251313 4      C-13-H3C(O)CH3
  115995.9258  0.0046 -7.1689 3  171.6728212  595161404261016 3    251313 3      C-13-H3C(O)CH3
  115996.5174  0.0048 -6.8637 3  171.6738424  595161404261016 2    251313 2      C-13-H3C(O)CH3
  116005.9999  0.0047 -6.2981 3   50.3532232  59516140414 7 8 1    13 8 5 1      C-13-H3C(O)CH3
  116024.1133  0.0056 -4.8696 3  430.0970632 -595161404392515 0    392416 0      C-13-H3C(O)CH3
  116033.2096  0.0099 -7.1601 3   78.7971280  59516140417 9 8 2    1612 4 2      C-13-H3C(O)CH3
  116056.1061  0.0055 -4.8695 3  430.0775632 -595161404392515 1    392416 1      C-13-H3C(O)CH3
  116058.2714  0.0021 -4.9309 3  179.7572212 -595161404261214 3    261115 3      C-13-H3C(O)CH3
  116058.6219  0.0027 -4.9309 3  179.7572212 -595161404261214 4    261115 4      C-13-H3C(O)CH3
  116091.3135  0.0021 -4.6293 3  179.7602424 -595161404261214 2    261115 2      C-13-H3C(O)CH3
  116094.2015  0.0291 -6.4062 3  264.4967244  5951614043022 8 4    302110 4      C-13-H3C(O)CH3
  116110.5944  0.0048 -6.2928 3   50.3481232  59516140414 7 8 2    13 8 5 2      C-13-H3C(O)CH3
  116114.3206  0.0026 -4.9305 3  179.7574212 -595161404261314 4    261215 4      C-13-H3C(O)CH3
  116114.3206  0.0021 -4.9305 3  179.7573212 -595161404261314 3    261215 3      C-13-H3C(O)CH3
  116115.9240  0.0021 -4.6293 3  179.7629424 -595161404261214 1    261115 1      C-13-H3C(O)CH3
  116148.8679  0.0020 -4.6287 3  179.7659424 -595161404261214 0    261115 0      C-13-H3C(O)CH3
  116148.8679  0.0021 -4.6289 3  179.7603424 -595161404261314 2    261215 2      C-13-H3C(O)CH3
  116168.4509  0.0066 -4.8695 3  430.0738632 -595161404392515 2    392416 2      C-13-H3C(O)CH3
  116171.5704  0.0021 -4.6289 3  179.7631424 -595161404261314 1    261215 1      C-13-H3C(O)CH3
  116172.4981  0.0102 -7.1381 3   78.7981280  59516140417 9 8 1    1612 4 1      C-13-H3C(O)CH3
  116179.2509  0.0065 -5.1712 3  430.0539316  595161404392515 4    392416 4      C-13-H3C(O)CH3
  116180.4567  0.0049 -6.8650 3  171.6699424  595161404261116 1    251213 1      C-13-H3C(O)CH3
  116187.8677  0.0043 -6.8608 3  171.6707424  595161404261116 0    251213 0      C-13-H3C(O)CH3
  116206.0470  0.0020 -4.6283 3  179.7661424 -595161404261314 0    261215 0      C-13-H3C(O)CH3
  116206.7148  0.0110 -6.7134 3   41.1684100  59516140412 9 4 3    1110 1 3      C-13-H3C(O)CH3
  116209.0866  0.0042 -6.2877 3   50.3027232  59516140414 7 8 0    13 8 5 0      C-13-H3C(O)CH3
  116215.4381  0.0573 -5.4680 3  812.1906872  595161404543222 0    543123 0      C-13-H3C(O)CH3
  116218.7533  0.0076 -5.1697 3  430.0544316  595161404392515 3    392416 3      C-13-H3C(O)CH3
  116229.0565  0.0055 -7.1670 3  171.6650212  595161404261116 4    251213 4      C-13-H3C(O)CH3
  116230.2718  0.0047 -7.1670 3  171.6650212  595161404261116 3    251213 3      C-13-H3C(O)CH3
  116237.4005  0.0048 -6.8617 3  171.6658424  595161404261116 2    251213 2      C-13-H3C(O)CH3
  116285.0336  0.1070 -5.4876 3  819.3411872  595161404543420 0    543321 0      C-13-H3C(O)CH3
  116304.0668  0.0108 -4.8566 3  421.9621632  595161404392217 2    392118 2      C-13-H3C(O)CH3
  116324.7371  0.0123 -5.1574 3  421.9392316  595161404392217 3    392118 3      C-13-H3C(O)CH3
  116325.1363  0.0078 -5.2885 3  155.4085180  5951614042220 3 3    2219 3 3      C-13-H3C(O)CH3
  116329.1874  0.0116 -5.1574 3  421.9392316  595161404392217 4    392118 4      C-13-H3C(O)CH3
  116331.4674  0.0095 -6.9029 3    9.5877104  595161404 6 6 1 1     5 5 0 1      C-13-H3C(O)CH3
  116346.1499  0.0093 -5.2888 3  155.4657180  5951614042220 2 4    2219 3 4      C-13-H3C(O)CH3
  116358.7421  0.0012 -5.0223 3   18.2300 76  595161404 9 3 6 3     8 4 5 3      C-13-H3C(O)CH3
  116363.8466  0.0013 -5.0222 3   18.2299 76  595161404 9 3 6 4     8 4 5 4      C-13-H3C(O)CH3
  116389.6882  0.0104 -6.6406 3   41.1623100  59516140412 9 4 3    1110 2 3      C-13-H3C(O)CH3
  116406.1466  0.0014 -4.7214 3   18.1654152 -595161404 9 3 6 2     8 4 5 2      C-13-H3C(O)CH3
  116409.8580  0.0015 -4.7211 3   18.1661152 -595161404 9 3 6 1     8 4 5 1      C-13-H3C(O)CH3
  116421.6324  0.0069 -4.8560 3  421.9916632  595161404392217 0    392118 0      C-13-H3C(O)CH3
  116442.8002  0.0081 -4.8558 3  421.9688632 -595161404392217 1    392118 1      C-13-H3C(O)CH3
  116453.9517  0.0053 -4.8538 3  426.2126632 -595161404392416 0    392317 0      C-13-H3C(O)CH3
  116454.5868  0.0015 -4.7213 3   18.1018152 -595161404 9 3 6 0     8 4 5 0      C-13-H3C(O)CH3
  116455.9399  0.0081 -5.2874 3  155.3509180  5951614042220 3 4    2219 4 4      C-13-H3C(O)CH3
  116475.7655  0.0042 -7.6684 3   11.8049120  595161404 7 5 3 1     7 2 6 1      C-13-H3C(O)CH3
  116477.0667  0.0081 -5.2877 3  155.4080180  5951614042220 2 3    2219 4 3      C-13-H3C(O)CH3
  116496.9682  0.0118 -6.8284 3    9.5870104  595161404 6 6 1 2     5 5 0 2      C-13-H3C(O)CH3
  116500.0192  0.0051 -4.8535 3  426.1915632 -595161404392416 1    392317 1      C-13-H3C(O)CH3
  116504.2235  0.0044 -7.6661 3   11.8043120  595161404 7 5 3 2     7 2 6 2      C-13-H3C(O)CH3
  116554.2958  0.0053 -4.8532 3  426.1860632 -595161404392416 2    392317 2      C-13-H3C(O)CH3
  116580.4977  0.0047 -5.3246 3   20.5421152  595161404 9 5 4 0     8 6 3 0      C-13-H3C(O)CH3
  116581.3637  0.0030 -4.6837 3  281.2214520 -595161404321815 2    321716 2      C-13-H3C(O)CH3
  116586.6082  0.0028 -4.6836 3  281.2456520 -595161404321815 0    321716 0      C-13-H3C(O)CH3
  116587.3853  0.0076 -4.9863 3  155.4633360  5951614042220 2 1    2219 3 1      C-13-H3C(O)CH3
  116594.7954  0.0046 -5.1539 3  426.1647316  595161404392416 4    392317 4      C-13-H3C(O)CH3
  116603.6494  0.0049 -5.1538 3  426.1649316  595161404392416 3    392317 3      C-13-H3C(O)CH3
  116603.6499  0.0033 -4.9847 3  281.2019260  595161404321815 4    321716 4      C-13-H3C(O)CH3
  116603.9971  0.0031 -4.9847 3  281.2019260  595161404321815 3    321716 3      C-13-H3C(O)CH3
  116609.1190  0.0030 -4.6836 3  281.2261520 -595161404321815 1    321716 1      C-13-H3C(O)CH3
  116644.5155  0.0047 -4.8214 3  403.2313616 -595161404382316 0    382217 0      C-13-H3C(O)CH3
  116648.5282  0.0087 -7.0981 3  370.1767292  595161404362412 3    362314 3      C-13-H3C(O)CH3
  116654.3453  0.0078 -4.9856 3  155.4192360  5951614042220 3 2    2219 4 2      C-13-H3C(O)CH3
  116676.9349  0.0071 -4.9860 3  155.4764360  5951614042220 2 2    2219 3 2      C-13-H3C(O)CH3
  116685.3094  0.0045 -4.8211 3  403.2092616 -595161404382316 1    382217 1      C-13-H3C(O)CH3
  116691.2713  0.0120 -6.8023 3  370.1764292  595161404362412 4    362314 4      C-13-H3C(O)CH3
  116698.1536  0.0092 -6.6220 3  370.1976584  595161404362412 2    362314 2      C-13-H3C(O)CH3
  116701.2585  0.0067 -6.1290 3   41.1012200  59516140412 9 4 2    1110 2 2      C-13-H3C(O)CH3
  116711.7834  0.0181 -7.5084 3   89.3309148  5951614041810 8 4    1713 4 4      C-13-H3C(O)CH3
  116712.0209  0.0023 -6.3283 3    4.8000 44  595161404 5 4 2 4     4 1 3 4      C-13-H3C(O)CH3
  116712.0534  0.0045 -4.8209 3  403.2035616 -595161404382316 2    382217 2      C-13-H3C(O)CH3
  116716.8195  0.0077 -4.9853 3  155.4056360  5951614042220 3 1    2219 4 1      C-13-H3C(O)CH3
  116749.8419  0.0040 -5.1216 3  403.1814308  595161404382316 4    382217 4      C-13-H3C(O)CH3
  116754.0731  0.0041 -5.1216 3  403.1815308  595161404382316 3    382217 3      C-13-H3C(O)CH3
  116765.0322  0.0055 -5.3361 3   20.5962152  595161404 9 5 4 2     8 6 3 2      C-13-H3C(O)CH3
  116776.6303  0.0045 -7.6593 3   11.7340120  595161404 7 5 3 0     7 2 6 0      C-13-H3C(O)CH3
  116795.1789  0.0044 -5.6188 3   20.6577 76  595161404 9 5 4 3     8 6 3 3      C-13-H3C(O)CH3
  116817.1852  0.0092 -6.3863 3   41.2407100  59516140412 9 3 4    1110 1 4      C-13-H3C(O)CH3
  116826.1012  0.0065 -6.1193 3   41.0924200  59516140412 9 4 1    1110 2 1      C-13-H3C(O)CH3
  116831.8349  0.0072 -6.1272 3   41.1733200  59516140412 9 3 2    1110 1 2      C-13-H3C(O)CH3
  116850.2108  0.0668 -5.6187 3  724.2073412  595161404513021 3    512922 3      C-13-H3C(O)CH3
  116857.8248  0.0661 -5.6186 3  724.2074412  595161404513021 4    512922 4      C-13-H3C(O)CH3
  116895.3412  0.1005 -5.4846 3  819.3275872  595161404543420 1    543321 1      C-13-H3C(O)CH3
  116898.3826  0.0050 -5.3364 3   20.5946152  595161404 9 5 4 1     8 6 3 1      C-13-H3C(O)CH3
  116918.1443  0.0080 -4.9845 3  155.4739360  5951614042220 2 0    2219 3 0      C-13-H3C(O)CH3
  116918.2120  0.0080 -4.9845 3  155.4739360  5951614042220 3 0    2219 4 0      C-13-H3C(O)CH3
  116921.5267  0.0200 -7.6865 3  100.3532156  5951614041911 8 4    1814 5 4      C-13-H3C(O)CH3
  116960.8423  0.0074 -6.1168 3   41.1706200  59516140412 9 3 1    1110 1 1      C-13-H3C(O)CH3
  117009.4321  0.0023 -6.3022 3    4.7999 44  595161404 5 4 2 3     4 1 3 3      C-13-H3C(O)CH3
  117021.2370  0.0083 -6.6853 3   78.7361280  59516140417 9 8 0    1612 5 0      C-13-H3C(O)CH3
  117023.9887  0.1622 -5.4841 3  819.3233872  595161404543420 2    543321 2      C-13-H3C(O)CH3
  117039.6986  0.0128 -7.2356 3   89.2875296  5951614041810 8 2    1713 4 2      C-13-H3C(O)CH3
  117080.3019  0.0029 -6.0093 3    4.7269 88  595161404 5 4 2 1     4 1 3 1      C-13-H3C(O)CH3
  117084.7208  0.0058 -5.0939 3  205.8173212  5951614042621 5 3    2620 6 3      C-13-H3C(O)CH3
  117087.1132  0.0668 -5.3166 3  724.2211824  595161404513021 2    512922 2      C-13-H3C(O)CH3
  117123.1663  0.0033 -6.0085 3    4.7262 88  595161404 5 4 2 2     4 1 3 2      C-13-H3C(O)CH3
  117125.1099  0.0012 -5.0145 3   18.2092 76 -595161404 9 4 6 4     8 3 5 4      C-13-H3C(O)CH3
  117130.6098  0.0013 -5.0145 3   18.2090 76 -595161404 9 4 6 3     8 3 5 3      C-13-H3C(O)CH3
  117145.5878  0.0074 -5.0938 3  205.8511212  5951614042621 5 4    2620 6 4      C-13-H3C(O)CH3
  117174.3669  0.0062 -5.0929 3  205.7753212  5951614042621 6 4    2620 7 4      C-13-H3C(O)CH3
  117187.8261  0.0377 -5.3161 3  724.2259824  595161404513021 1    512922 1      C-13-H3C(O)CH3
  117188.9135  0.0015 -4.7132 3   18.1450152 -595161404 9 4 6 1     8 3 5 1      C-13-H3C(O)CH3
  117196.3468  0.0015 -4.7134 3   18.1439152 -595161404 9 4 6 2     8 3 5 2      C-13-H3C(O)CH3
  117234.3060  0.0059 -5.0931 3  205.8091212  5951614042621 6 3    2620 7 3      C-13-H3C(O)CH3
  117257.2898  0.0015 -4.7132 3   18.0800152 -595161404 9 4 6 0     8 3 5 0      C-13-H3C(O)CH3
  117282.3058  0.0132 -7.2239 3   89.2871296  5951614041810 8 1    1713 4 1      C-13-H3C(O)CH3
  117289.9786  0.0056 -4.7919 3  205.8568424 -5951614042621 5 1    2620 6 1      C-13-H3C(O)CH3
  117321.5373  0.0056 -5.6651 3   20.6416 76  595161404 9 5 4 4     8 6 3 4      C-13-H3C(O)CH3
  117335.6043  0.0068 -6.0642 3   41.1032200  59516140412 9 3 0    1110 2 0      C-13-H3C(O)CH3
  117340.9736  0.0072 -6.3831 3   41.0902100  59516140412 9 4 4    1110 2 4      C-13-H3C(O)CH3
  117352.4433  0.0032 -6.0006 3    4.6534 88  595161404 5 4 2 0     4 1 3 0      C-13-H3C(O)CH3
  117362.6179  0.0055 -4.7912 3  205.8307424 -5951614042621 6 2    2620 7 2      C-13-H3C(O)CH3
  117376.8190  0.0055 -4.7911 3  205.8149424 -5951614042621 6 1    2620 7 1      C-13-H3C(O)CH3
  117377.0441  0.0055 -4.8465 3  410.8636616 -595161404382514 1    382415 1      C-13-H3C(O)CH3
  117382.1054  0.0056 -4.8458 3  410.8833616 -595161404382514 0    382415 0      C-13-H3C(O)CH3
  117392.6193  0.0026 -4.9254 3  164.1901204 -595161404251114 4    251015 4      C-13-H3C(O)CH3
  117392.6193  0.0021 -4.9254 3  164.1901204 -595161404251114 3    251015 3      C-13-H3C(O)CH3
  117411.1826  0.0026 -4.9253 3  164.1901204 -595161404251214 4    251115 4      C-13-H3C(O)CH3
  117411.1826  0.0020 -4.9253 3  164.1901204 -595161404251214 3    251115 3      C-13-H3C(O)CH3
  117424.2087  0.0399 -5.3151 3  724.2396824  595161404513021 0    512922 0      C-13-H3C(O)CH3
  117425.0728  0.0053 -4.7912 3  205.8645424 -5951614042621 5 2    2620 6 2      C-13-H3C(O)CH3
  117443.4924  0.0020 -4.6237 3  164.1885408 -595161404251114 2    251015 2      C-13-H3C(O)CH3
  117445.5527  0.0075 -5.1555 3  410.8418308  595161404382514 4    382415 4      C-13-H3C(O)CH3
  117462.6710  0.0020 -4.6235 3  164.1885408 -595161404251214 2    251115 2      C-13-H3C(O)CH3
  117463.7423  0.0020 -4.6237 3  164.1908408 -595161404251114 1    251015 1      C-13-H3C(O)CH3
  117482.1809  0.0020 -4.6236 3  164.1909408 -595161404251214 1    251115 1      C-13-H3C(O)CH3
  117488.5705  0.0246 -5.8837 3  298.8935260  595161404322310 3    322210 3      C-13-H3C(O)CH3
  117489.4565  0.0066 -4.8502 3  410.8620616 -595161404382514 2    382415 2      C-13-H3C(O)CH3
  117514.5293  0.0019 -4.6230 3  164.1893408 -595161404251114 0    251015 0      C-13-H3C(O)CH3
  117522.9639  0.0082 -5.1478 3  410.8425308  595161404382514 3    382415 3      C-13-H3C(O)CH3
  117527.3020  0.0249 -5.7340 3  298.8921260  595161404322310 4    322210 4      C-13-H3C(O)CH3
  117530.9315  0.0146 -5.5029 3  298.9128520  595161404322310 1    322210 1      C-13-H3C(O)CH3
  117533.5500  0.0019 -4.6228 3  164.1893408 -595161404251214 0    251115 0      C-13-H3C(O)CH3
  117534.5980  0.0122 -7.1287 3   42.8616100  5951614041210 3 4    12 7 5 4      C-13-H3C(O)CH3
  117542.5001  0.0020 -4.9662 3    9.5806 52  595161404 6 6 1 4     5 5 1 4      C-13-H3C(O)CH3
  117549.5634  0.0060 -4.8818 3  449.7587648 -595161404402516 0    402417 0      C-13-H3C(O)CH3
  117557.7468  0.2096 -6.1614 3 1213.0525A64  595161404664026 0    663927 0      C-13-H3C(O)CH3
  117563.3575  0.0060 -4.7904 3  205.8703424  5951614042621 5 0    2620 6 0      C-13-H3C(O)CH3
  117573.3364  0.0060 -4.7903 3  205.8699424 -5951614042621 6 0    2620 7 0      C-13-H3C(O)CH3
  117579.5642  0.1451 -5.7813 3  819.3093436  595161404543420 3    543321 3      C-13-H3C(O)CH3
  117594.4060  0.0116 -5.3906 3    9.6311 52  595161404 6 6 1 3     5 5 0 3      C-13-H3C(O)CH3
  117603.7159  0.0057 -4.8815 3  449.7389648 -595161404402516 1    402417 1      C-13-H3C(O)CH3
  117604.1275  0.0013 -4.8489 3   20.3029 84 -59516140410 2 8 3     9 3 7 3      C-13-H3C(O)CH3
  117604.1275  0.0013 -4.8489 3   20.3029 84 -59516140410 2 8 4     9 3 7 4      C-13-H3C(O)CH3
  117610.2454  0.0013 -4.8488 3   20.3027 84 -59516140410 3 8 4     9 2 7 4      C-13-H3C(O)CH3
  117610.2454  0.0013 -4.8488 3   20.3027 84 -59516140410 3 8 3     9 2 7 3      C-13-H3C(O)CH3
  117642.2567  0.0015 -4.5476 3   20.2378168 -59516140410 2 8 1     9 3 7 1      C-13-H3C(O)CH3
  117642.6131  0.0015 -4.5477 3   20.2372168 -59516140410 2 8 2     9 3 7 2      C-13-H3C(O)CH3
  117648.5064  0.0015 -4.5475 3   20.2376168 -59516140410 3 8 1     9 2 7 1      C-13-H3C(O)CH3
  117649.0045  0.0015 -4.5476 3   20.2370168 -59516140410 3 8 2     9 2 7 2      C-13-H3C(O)CH3
  117657.4855  0.1790 -6.1607 3 1213.0452A64  595161404664026 2    663927 2      C-13-H3C(O)CH3
  117668.4739  0.0102 -5.4292 3  145.0855172  5951614042120 1 4    2119 2 4      C-13-H3C(O)CH3
  117668.7168  0.0088 -5.4288 3  145.0228172  5951614042120 2 3    2119 3 3      C-13-H3C(O)CH3
  117676.0215  0.0023 -5.2429 3   11.8232 60 -595161404 7 5 3 4     6 4 2 4      C-13-H3C(O)CH3
  117680.6693  0.0015 -4.5474 3   20.1722168 -59516140410 2 8 0     9 3 7 0      C-13-H3C(O)CH3
  117681.2298  0.0192 -7.1825 3  250.0198472  5951614042922 8 1    2921 8 1      C-13-H3C(O)CH3
  117684.5355  0.0065 -4.8811 3  449.7340648 -595161404402516 2    402417 2      C-13-H3C(O)CH3
  117687.1667  0.0015 -4.5474 3   20.1720168 -59516140410 3 8 0     9 2 7 0      C-13-H3C(O)CH3
  117687.3234  0.1630 -5.7830 3  819.3107436  595161404543420 4    543321 4      C-13-H3C(O)CH3
  117716.2488  0.0187 -5.2462 3  490.0388340  595161404422418 3    422319 3      C-13-H3C(O)CH3
  117718.9822  0.0052 -4.7900 3  352.5070568 -595161404352412 1    352313 1      C-13-H3C(O)CH3
  117721.3523  0.0186 -5.2462 3  490.0388340  595161404422418 4    422319 4      C-13-H3C(O)CH3
  117723.2835  0.0100 -5.1242 3  352.4864284  595161404352412 4    352313 4      C-13-H3C(O)CH3
  117724.4349  0.0111 -5.1230 3  352.4864284  595161404352412 3    352313 3      C-13-H3C(O)CH3
  117727.4331  0.0058 -5.1819 3  449.7140324  595161404402516 4    402417 4      C-13-H3C(O)CH3
  117747.3865  0.0064 -5.1816 3  449.7142324  595161404402516 3    402417 3      C-13-H3C(O)CH3
  117750.3302  0.0176 -4.9451 3  490.0601680  595161404422418 2    422319 2      C-13-H3C(O)CH3
  117751.4382  0.1947 -6.1601 3 1213.0332A64  595161404664026 1    663927 1      C-13-H3C(O)CH3
  117754.3711  0.0033 -5.1671 3    9.6311 52  595161404 6 6 0 3     5 5 0 3      C-13-H3C(O)CH3
  117756.7232  0.0108 -6.8655 3   89.2395296  5951614041810 8 0    1713 5 0      C-13-H3C(O)CH3
  117775.7407  0.0098 -6.6268 3   41.1684100  59516140412 9 3 3    1110 1 3      C-13-H3C(O)CH3
  117799.6005  0.0052 -4.7896 3  352.5294568 -595161404352412 0    352313 0      C-13-H3C(O)CH3
  117804.3497  0.0088 -4.8230 3  352.5089568 -595161404352412 2    352313 2      C-13-H3C(O)CH3
  117806.5968  0.0025 -4.6646 3    9.5384104 -595161404 6 6 1 1     5 5 1 1      C-13-H3C(O)CH3
  117812.7607  0.0460 -5.4787 3  641.1898388  595161404482820 3    482721 3      C-13-H3C(O)CH3
  117813.1258  0.0036 -5.1670 3    9.6238 52  595161404 6 6 1 3     5 5 1 3      C-13-H3C(O)CH3
  117819.4130  0.0461 -5.4787 3  641.1899388  595161404482820 4    482721 4      C-13-H3C(O)CH3
  117820.4302  0.0091 -5.4277 3  144.9628172  5951614042120 2 4    2119 3 4      C-13-H3C(O)CH3
  117820.5801  0.0092 -5.4281 3  145.0253172  5951614042120 1 3    2119 2 3      C-13-H3C(O)CH3
  117835.1699  0.0041 -4.7858 3  380.8056600 -595161404372216 0    372117 0      C-13-H3C(O)CH3
  117841.8472  0.0027 -4.6647 3    9.5421104 -595161404 6 6 1 2     5 5 1 2      C-13-H3C(O)CH3
  117855.9533  0.1172 -6.4604 3 1213.0259532  595161404664026 3    663927 3      C-13-H3C(O)CH3
  117862.3215  0.0088 -6.9966 3   78.7695140  59516140417 9 8 3    1612 5 3      C-13-H3C(O)CH3
  117863.2146  0.1216 -6.4603 3 1213.0260532  595161404664026 4    663927 4      C-13-H3C(O)CH3
  117873.0072  0.0041 -4.7856 3  380.7830600 -595161404372216 1    372117 1      C-13-H3C(O)CH3
  117876.0198  0.0049 -7.4215 3  298.9173520  595161404322310 2    322210 2      C-13-H3C(O)CH3
  117876.0594  0.0041 -4.7855 3  380.7773600 -595161404372216 2    372117 2      C-13-H3C(O)CH3
  117888.2739  0.0104 -5.1307 3  298.8935260  5951614043223 9 3    322210 3      C-13-H3C(O)CH3
  117899.9530  0.0101 -4.9443 3  490.0668680  595161404422418 1    422319 1      C-13-H3C(O)CH3
  117902.1972  0.0030 -4.6616 3  262.1892504 -595161404311615 2    311516 2      C-13-H3C(O)CH3
  117912.2326  0.0039 -5.0862 3  380.7547300  595161404372216 4    372117 4      C-13-H3C(O)CH3
  117914.4370  0.0039 -5.0862 3  380.7547300  595161404372216 3    372117 3      C-13-H3C(O)CH3
  117926.8024  0.0026 -4.6614 3  262.2113504 -595161404311615 0    311516 0      C-13-H3C(O)CH3
  117927.1117  0.0034 -4.9626 3  262.1714252  595161404311615 3    311516 3      C-13-H3C(O)CH3
  117928.4266  0.0036 -4.9626 3  262.1715252  595161404311615 4    311516 4      C-13-H3C(O)CH3
  117929.3212  0.0120 -5.1635 3  298.8921260  5951614043223 9 4    322210 4      C-13-H3C(O)CH3
  117929.5157  0.0072 -4.8453 3  298.9128520 -5951614043223 9 1    322210 1      C-13-H3C(O)CH3
  117932.8806  0.0097 -4.9442 3  490.0881680  595161404422418 0    422319 0      C-13-H3C(O)CH3
  117933.1567  0.0103 -6.6499 3   64.9730124  5951614041511 5 4    15 8 7 4      C-13-H3C(O)CH3
  117934.0464  0.0025 -5.2151 3   11.8208 60 -595161404 7 5 3 3     6 4 2 3      C-13-H3C(O)CH3
  117940.2557  0.0087 -5.1267 3  145.0832344  5951614042120 1 1    2119 2 1      C-13-H3C(O)CH3
  117951.8202  0.0031 -4.6614 3  262.1936504 -595161404311615 1    311516 1      C-13-H3C(O)CH3
  117958.7142  0.0124 -6.6974 3   41.1623100  59516140412 9 3 3    1110 2 3      C-13-H3C(O)CH3
  117963.1623  0.0108 -6.8573 3   78.7327280  59516140417 9 8 2    1612 5 2      C-13-H3C(O)CH3
  117964.5200  0.0048 -4.7594 3  298.9173520 -5951614043223 9 2    322210 2      C-13-H3C(O)CH3
  117973.0908  0.0113 -5.3889 3    9.6238 52  595161404 6 6 0 3     5 5 1 3      C-13-H3C(O)CH3
  117983.3298  0.0026 -4.6598 3    9.5031104 -595161404 6 6 1 0     5 5 0 0      C-13-H3C(O)CH3
  117985.4997  0.0053 -4.7584 3  298.9371520  5951614043223 9 0    322210 0      C-13-H3C(O)CH3
  117992.9404  0.0458 -5.1769 3  641.2058776  595161404482820 2    482721 2      C-13-H3C(O)CH3
  118003.1075  0.0029 -4.9205 3   11.7539120 -595161404 7 5 3 1     6 4 2 1      C-13-H3C(O)CH3
  118011.0440  0.0091 -5.1259 3  145.0354344  5951614042120 2 2    2119 3 2      C-13-H3C(O)CH3
  118012.2149  0.0081 -5.1264 3  145.0981344  5951614042120 1 2    2119 2 2      C-13-H3C(O)CH3
  118025.6791  0.0017 -4.9617 3    9.6743 52  595161404 6 6 0 4     5 5 0 4      C-13-H3C(O)CH3
  118047.8202  0.0024 -6.5525 3    3.8282 44  595161404 5 2 3 3     4 1 4 3      C-13-H3C(O)CH3
  118049.3364  0.0023 -4.6623 3    9.5877104 -595161404 6 6 0 1     5 5 0 1      C-13-H3C(O)CH3
  118056.3400  0.0034 -4.9184 3   11.7525120 -595161404 7 5 3 2     6 4 2 2      C-13-H3C(O)CH3
  118063.2168  0.0028 -6.5525 3    3.8282 44  595161404 5 2 3 4     4 1 4 4      C-13-H3C(O)CH3
  118067.4727  0.0024 -4.6625 3    9.5870104 -595161404 6 6 0 2     5 5 0 2      C-13-H3C(O)CH3
  118070.4965  0.0294 -6.8587 3  249.9911236  5951614042922 8 3    2921 8 3      C-13-H3C(O)CH3
  118088.9266  0.0245 -6.6605 3  250.0231472  5951614042922 8 2    2921 8 2      C-13-H3C(O)CH3
  118091.0998  0.0089 -5.1255 3  145.0231344  5951614042120 2 1    2119 3 1      C-13-H3C(O)CH3
  118093.8871  0.0124 -7.5104 3  186.3554424  595161404261512 2    2518 7 2      C-13-H3C(O)CH3
  118124.5834  0.0230 -5.1762 3  641.2117776  595161404482820 1    482721 1      C-13-H3C(O)CH3
  118144.1805  0.0039 -7.6250 3   16.7007 68  595161404 8 6 3 4     8 3 6 4      C-13-H3C(O)CH3
  118154.8999  0.0030 -6.2497 3    3.7530 88  595161404 5 2 3 2     4 1 4 2      C-13-H3C(O)CH3
  118171.0186  0.0028 -6.2500 3    3.7535 88  595161404 5 2 3 1     4 1 4 1      C-13-H3C(O)CH3
  118177.5014  0.0296 -5.3539 3  563.1278364  595161404452619 3    452520 3      C-13-H3C(O)CH3
  118183.3412  0.0299 -5.3538 3  563.1279364  595161404452619 4    452520 4      C-13-H3C(O)CH3
  118212.9831  0.0026 -4.6588 3    9.4975104 -595161404 6 6 0 0     5 5 1 0      C-13-H3C(O)CH3
  118249.2331  0.0122 -7.5380 3  186.3552424  595161404261512 1    2518 7 1      C-13-H3C(O)CH3
  118256.2744  0.0028 -4.9102 3   11.6846120 -595161404 7 5 3 0     6 4 2 0      C-13-H3C(O)CH3
  118270.3891  0.0028 -6.2482 3    3.6785 88  595161404 5 2 3 0     4 1 4 0      C-13-H3C(O)CH3
  118283.2713  0.0290 -5.0524 3  563.1465728  595161404452619 2    452520 2      C-13-H3C(O)CH3
  118284.5005  0.0091 -5.1248 3  145.0958344  5951614042120 1 0    2119 2 0      C-13-H3C(O)CH3
  118284.5062  0.0091 -5.1248 3  145.0958344  5951614042120 2 0    2119 3 0      C-13-H3C(O)CH3
  118303.1826  0.0252 -5.1755 3  641.2275776  595161404482820 0    482721 0      C-13-H3C(O)CH3
  118316.0929  0.0061 -5.0596 3  249.9911236  5951614042922 7 3    2921 8 3      C-13-H3C(O)CH3
  118334.6041  0.0080 -7.3200 3  186.3572424  595161404261512 0    2518 7 0      C-13-H3C(O)CH3
  118378.2081  0.0103 -6.8613 3   78.7245280  59516140417 9 8 1    1612 5 1      C-13-H3C(O)CH3
  118390.8936  0.0062 -5.0527 3  249.9624236  5951614042922 8 4    2921 9 4      C-13-H3C(O)CH3
  118400.6804  0.0072 -5.0533 3  250.0063236  5951614042922 7 4    2921 8 4      C-13-H3C(O)CH3
  118431.5558  0.0141 -5.0516 3  563.1530728  595161404452619 1    452520 1      C-13-H3C(O)CH3
  118435.0567  0.0132 -5.1594 3  298.8619260  595161404322310 4    322211 4      C-13-H3C(O)CH3
  118466.1423  0.0053 -4.7527 3  250.0198472 -5951614042922 7 1    2921 8 1      C-13-H3C(O)CH3
  118472.1056  0.0074 -4.8413 3  298.8814520 -595161404322310 1    322211 1      C-13-H3C(O)CH3
  118472.7217  0.0101 -5.1267 3  298.8607260  595161404322310 3    322211 3      C-13-H3C(O)CH3
  118473.5826  0.0060 -5.0588 3  249.9776236  5951614042922 8 3    2921 9 3      C-13-H3C(O)CH3
  118527.0522  0.0026 -4.9257 3  149.2004196 -595161404241014 4    24 915 4      C-13-H3C(O)CH3
  118527.0522  0.0020 -4.9257 3  149.2004196 -595161404241014 3    24 915 3      C-13-H3C(O)CH3
  118532.7569  0.0020 -4.9256 3  149.2004196 -595161404241114 3    241015 3      C-13-H3C(O)CH3
  118532.7569  0.0026 -4.9256 3  149.2004196 -595161404241114 4    241015 4      C-13-H3C(O)CH3
  118534.1741  0.0051 -4.7521 3  249.9914472 -5951614042922 8 1    2921 9 1      C-13-H3C(O)CH3
  118535.6458  0.0153 -5.0512 3  563.1716728  595161404452619 0    452520 0      C-13-H3C(O)CH3
  118545.9478  0.0099 -7.7684 3  455.8461348  595161404431528 3    421825 3      C-13-H3C(O)CH3
  118545.9495  0.0099 -7.7684 3  455.8461348  595161404431628 3    421725 3      C-13-H3C(O)CH3
  118545.9774  0.0099 -7.7684 3  455.8460348  595161404431528 4    421825 4      C-13-H3C(O)CH3
  118545.9792  0.0099 -7.7684 3  455.8460348  595161404431628 4    421725 4      C-13-H3C(O)CH3
  118546.3381  0.0036 -6.4772 3   76.6350280  59516140417 8 9 0    1611 6 0      C-13-H3C(O)CH3
  118548.9103  0.0161 -6.2344 3  352.4864284  595161404352411 3    352313 3      C-13-H3C(O)CH3
  118549.5851  0.0177 -6.2190 3  352.4864284  595161404352411 4    352313 4      C-13-H3C(O)CH3
  118561.5772  0.0055 -4.7558 3  250.0074472 -5951614042922 8 2    2921 9 2      C-13-H3C(O)CH3
  118574.8169  0.0101 -7.4674 3  455.8741696  595161404431528 1    421825 1      C-13-H3C(O)CH3
  118574.8185  0.0101 -7.4674 3  455.8741696  595161404431628 1    421725 1      C-13-H3C(O)CH3
  118590.4626  0.0103 -7.4652 3  455.8723696  595161404431528 2    421825 2      C-13-H3C(O)CH3
  118590.4642  0.0103 -7.4652 3  455.8723696  595161404431628 2    421725 2      C-13-H3C(O)CH3
  118595.8439  0.0020 -4.6238 3  149.1937392 -595161404241014 2    24 915 2      C-13-H3C(O)CH3
  118601.7538  0.0020 -4.6237 3  149.1937392 -595161404241114 2    241015 2      C-13-H3C(O)CH3
  118612.7001  0.0020 -4.6238 3  149.1957392 -595161404241014 1    24 915 1      C-13-H3C(O)CH3
  118618.3486  0.0020 -4.6238 3  149.1957392 -595161404241114 1    241015 1      C-13-H3C(O)CH3
  118619.2470  0.0087 -7.4656 3  455.9003696  595161404431528 0    421825 0      C-13-H3C(O)CH3
  118619.2484  0.0087 -7.4656 3  455.9003696  595161404431628 0    421725 0      C-13-H3C(O)CH3
  118627.1390  0.0147 -5.9156 3  352.5089568  595161404352411 2    352313 2      C-13-H3C(O)CH3
  118628.5745  0.0053 -4.7558 3  250.0231472 -5951614042922 7 2    2921 8 2      C-13-H3C(O)CH3
  118629.1818  0.0033 -7.5818 3   16.7007 68  595161404 8 6 3 3     8 3 6 3      C-13-H3C(O)CH3
  118648.8601  0.0054 -4.7502 3  250.0381472  5951614042922 7 0    2921 8 0      C-13-H3C(O)CH3
  118656.5746  0.0015 -4.7260 3   21.8241 92 -59516140411 210 4    10 1 9 4      C-13-H3C(O)CH3
  118656.5746  0.0015 -4.7260 3   21.8241 92 -59516140411 210 3    10 1 9 3      C-13-H3C(O)CH3
  118656.5746  0.0015 -4.7260 3   21.8241 92 -59516140411 110 4    10 2 9 4      C-13-H3C(O)CH3
  118656.5746  0.0015 -4.7260 3   21.8241 92 -59516140411 110 3    10 2 9 3      C-13-H3C(O)CH3
  118658.7161  0.0028 -4.6563 3  262.1923504 -595161404311715 2    311616 2      C-13-H3C(O)CH3
  118672.9881  0.0031 -4.9574 3  262.1745252  595161404311715 4    311616 4      C-13-H3C(O)CH3
  118673.0935  0.0029 -4.9574 3  262.1745252  595161404311715 3    311616 3      C-13-H3C(O)CH3
  118673.8599  0.0026 -4.6562 3  262.2144504 -595161404311715 0    311616 0      C-13-H3C(O)CH3
  118679.5639  0.0017 -4.4248 3   21.7554184 -59516140411 210 2    10 1 9 2      C-13-H3C(O)CH3
  118679.5639  0.0018 -4.4248 3   21.7559184 -59516140411 210 1    10 1 9 1      C-13-H3C(O)CH3
  118679.5639  0.0017 -4.4248 3   21.7554184 -59516140411 110 2    10 2 9 2      C-13-H3C(O)CH3
  118679.5639  0.0018 -4.4248 3   21.7559184 -59516140411 110 1    10 2 9 1      C-13-H3C(O)CH3
  118681.3047  0.0019 -4.6230 3  149.1890392 -595161404241014 0    24 915 0      C-13-H3C(O)CH3
  118687.1827  0.0019 -4.6229 3  149.1890392 -595161404241114 0    241015 0      C-13-H3C(O)CH3
  118688.1620  0.0028 -4.6563 3  262.1966504 -595161404311715 1    311616 1      C-13-H3C(O)CH3
  118702.4991  0.0016 -4.4246 3   21.6874184 -59516140411 210 0    10 1 9 0      C-13-H3C(O)CH3
  118702.4991  0.0016 -4.4246 3   21.6874184 -59516140411 110 0    10 2 9 0      C-13-H3C(O)CH3
  118709.3482  0.0049 -4.7541 3  298.8895520 -595161404322310 2    322211 2      C-13-H3C(O)CH3
  118716.0219  0.0077 -7.1873 3  323.0538584  595161404361323 1    351620 1      C-13-H3C(O)CH3
  118716.3178  0.0077 -7.1873 3  323.0538584  595161404361423 1    351520 1      C-13-H3C(O)CH3
  118719.1790  0.0295 -6.8537 3  249.9776236  5951614042922 7 3    2921 9 3      C-13-H3C(O)CH3
  118724.4626  0.0066 -7.1845 3  323.0780584  595161404361323 0    351620 0      C-13-H3C(O)CH3
  118724.7554  0.0066 -7.1845 3  323.0780584  595161404361423 0    351520 0      C-13-H3C(O)CH3
  118726.4448  0.0051 -4.7531 3  298.9094520 -595161404322310 0    322211 0      C-13-H3C(O)CH3
  118728.6033  0.0043 -7.2920 3   16.6343136  595161404 8 6 3 1     8 3 6 1      C-13-H3C(O)CH3
  118736.0226  0.0074 -7.4885 3  323.0269292  595161404361323 3    351620 3      C-13-H3C(O)CH3
  118736.0844  0.0076 -7.4885 3  323.0268292  595161404361323 4    351620 4      C-13-H3C(O)CH3
  118736.3367  0.0074 -7.4885 3  323.0269292  595161404361423 3    351520 3      C-13-H3C(O)CH3
  118736.3969  0.0076 -7.4885 3  323.0268292  595161404361423 4    351520 4      C-13-H3C(O)CH3
  118744.5206  0.0077 -7.1846 3  323.0510584  595161404361323 2    351620 2      C-13-H3C(O)CH3
  118744.8313  0.0077 -7.1846 3  323.0510584  595161404361423 2    351520 2      C-13-H3C(O)CH3
  118751.5814  0.0053 -4.7495 3  250.0344472 -5951614042922 8 0    2921 9 0      C-13-H3C(O)CH3
  118768.4513  0.0044 -6.4850 3   76.6560280  59516140417 8 9 2    1611 6 2      C-13-H3C(O)CH3
  118789.5904  0.0112 -5.6963 3  135.2154164  5951614042020 0 4    2019 1 4      C-13-H3C(O)CH3
  118793.1214  0.0048 -7.2881 3   16.6336136  595161404 8 6 3 2     8 3 6 2      C-13-H3C(O)CH3
  118797.9401  0.0050 -7.4224 3  298.8895520  5951614043223 9 2    322211 2      C-13-H3C(O)CH3
  118811.3499  0.0098 -5.6958 3  135.1477164  5951614042020 1 3    2019 2 3      C-13-H3C(O)CH3
  118837.0759  0.0224 -5.7254 3  298.8619260  5951614043223 9 4    322211 4      C-13-H3C(O)CH3
  118851.8502  0.0132 -7.7058 3  186.3254212  595161404261512 3    2518 7 3      C-13-H3C(O)CH3
  118868.8348  0.0036 -6.7794 3   76.6841140  59516140417 8 9 3    1611 6 3      C-13-H3C(O)CH3
  118870.7496  0.0137 -5.4936 3  298.8814520  5951614043223 9 1    322211 1      C-13-H3C(O)CH3
  118872.4251  0.0249 -5.8736 3  298.8607260  5951614043223 9 3    322211 3      C-13-H3C(O)CH3
  118876.4255  0.0083 -7.6643 3   19.3737136  595161404 8 8 1 0     8 5 4 0      C-13-H3C(O)CH3
  118886.6515  0.0763 -5.3783 3  761.1967840  595161404523319 0    523220 0      C-13-H3C(O)CH3
  118896.3310  0.0129 -7.2316 3   89.2569148  5951614041810 8 3    1713 5 3      C-13-H3C(O)CH3
  118916.5985  0.0044 -6.4875 3   76.6540280  59516140417 8 9 1    1611 6 1      C-13-H3C(O)CH3
  118933.9661  0.0130 -7.0987 3   89.2243296  5951614041810 8 2    1713 5 2      C-13-H3C(O)CH3
  118937.7138  0.0120 -7.5739 3  236.0754472  595161404291812 0    2821 7 0      C-13-H3C(O)CH3
  118961.4429  0.0102 -5.6951 3  135.1532164  5951614042020 0 3    2019 1 3      C-13-H3C(O)CH3
  118982.6340  0.0102 -5.6946 3  135.0856164  5951614042020 1 4    2019 2 4      C-13-H3C(O)CH3
  118993.8056  0.0129 -6.9458 3   41.1012200  59516140412 9 3 2    1110 2 2      C-13-H3C(O)CH3
  119020.1733  0.0341 -7.2544 3  651.3968776  595161404483118 1    483018 1      C-13-H3C(O)CH3
  119038.6632  0.0051 -4.7318 3  337.5646568 -595161404351916 2    351817 2      C-13-H3C(O)CH3
  119053.3857  0.0030 -5.6239 3    7.8496 52  595161404 6 4 2 3     5 3 3 3      C-13-H3C(O)CH3
  119056.2335  0.0113 -6.8339 3   42.8110200  5951614041210 3 1    12 7 5 1      C-13-H3C(O)CH3
  119067.3908  0.0027 -6.4990 3   84.8715296  59516140418 810 0    1711 7 0      C-13-H3C(O)CH3
  119077.8830  0.0040 -4.7316 3  337.5928568 -595161404351916 0    351817 0      C-13-H3C(O)CH3
  119081.1261  0.0086 -6.5216 3   64.9353248  5951614041511 5 1    15 8 7 1      C-13-H3C(O)CH3
  119084.5856  0.0061 -5.0325 3  337.5419284  595161404351916 3    351817 3      C-13-H3C(O)CH3
  119087.1793  0.0057 -5.0325 3  337.5419284  595161404351916 4    351817 4      C-13-H3C(O)CH3
  119089.8720  0.0098 -5.3936 3  135.2137328  5951614042020 0 1    2019 1 1      C-13-H3C(O)CH3
  119101.2799  0.0239 -6.6538 3  250.0074472  5951614042922 7 2    2921 9 2      C-13-H3C(O)CH3
  119123.8094  0.0049 -4.7313 3  337.5701568 -595161404351916 1    351817 1      C-13-H3C(O)CH3
  119125.2247  0.0029 -5.3210 3    7.7789104  595161404 6 4 2 2     5 3 3 2      C-13-H3C(O)CH3
  119144.6699  0.0092 -5.3934 3  135.2300328  5951614042020 0 2    2019 1 2      C-13-H3C(O)CH3
  119145.9559  0.0030 -5.6306 3    7.8489 52  595161404 6 4 2 4     5 3 3 4      C-13-H3C(O)CH3
  119151.8897  0.0031 -6.5008 3   84.8937296  59516140418 810 2    1711 7 2      C-13-H3C(O)CH3
  119154.6462  0.0027 -5.3224 3    7.7793104  595161404 6 4 2 1     5 3 3 1      C-13-H3C(O)CH3
  119160.2113  0.0044 -7.2711 3   16.5674136  595161404 8 6 3 0     8 3 6 0      C-13-H3C(O)CH3
  119165.2321  0.0104 -5.3929 3  135.1623328  5951614042020 1 2    2019 2 2      C-13-H3C(O)CH3
  119167.3057  0.0120 -7.7740 3  186.3196424  595161404261512 2    2518 8 2      C-13-H3C(O)CH3
  119180.3930  0.0024 -5.3172 3    7.7092104  595161404 6 4 2 0     5 3 3 0      C-13-H3C(O)CH3
  119188.7591  0.0064 -5.1300 3  193.3956204  5951614042521 5 3    2520 5 3      C-13-H3C(O)CH3
  119190.9281  0.0071 -7.6764 3   23.6308 76  595161404 9 8 2 4     9 5 5 4      C-13-H3C(O)CH3
  119202.2011  0.0031 -6.5027 3   84.8945296  59516140418 810 1    1711 7 1      C-13-H3C(O)CH3
  119211.2405  0.0578 -6.9810 3  651.3924776  595161404483118 2    483018 2      C-13-H3C(O)CH3
  119217.0692  0.0055 -7.4228 3  388.4124600  595161404372413 2    372315 2      C-13-H3C(O)CH3
  119218.5070  0.0030 -6.8047 3   84.9190148  59516140418 810 3    1711 7 3      C-13-H3C(O)CH3
  119229.9156  0.0081 -5.1301 3  193.4361204  5951614042521 4 4    2520 5 4      C-13-H3C(O)CH3
  119260.7381  0.0101 -5.3924 3  135.1515328  5951614042020 1 1    2019 2 1      C-13-H3C(O)CH3
  119260.8027  0.0067 -7.5178 3  388.3916300  595161404372413 4    372315 4      C-13-H3C(O)CH3
  119302.7252  0.0485 -6.8798 3  651.3842388  595161404483118 4    483018 4      C-13-H3C(O)CH3
  119302.8688  0.0068 -5.1290 3  193.3501204  5951614042521 5 4    2520 6 4      C-13-H3C(O)CH3
  119304.5772  0.0115 -7.0102 3   41.0924200  59516140412 9 3 1    1110 2 1      C-13-H3C(O)CH3
  119319.1349  0.0188 -7.1711 3  249.9914472  5951614042922 7 1    2921 9 1      C-13-H3C(O)CH3
  119343.7111  0.0066 -5.1293 3  193.3906204  5951614042521 4 3    2520 6 3      C-13-H3C(O)CH3
  119354.1912  0.0031 -6.8062 3   84.9146148  59516140418 810 4    1711 7 4      C-13-H3C(O)CH3
  119360.2074  0.0058 -7.1249 3   72.6861132  5951614041611 6 4    16 8 8 4      C-13-H3C(O)CH3
  119371.8455  0.0056 -6.8065 3   76.6675140  59516140417 8 9 4    1611 6 4      C-13-H3C(O)CH3
  119411.9592  0.0063 -4.8280 3  193.4409408 -5951614042521 4 1    2520 5 1      C-13-H3C(O)CH3
  119412.3980  0.0108 -6.8151 3    9.5421104  595161404 6 6 0 2     5 5 1 2      C-13-H3C(O)CH3
  119418.3121  0.0093 -6.5768 3   64.9301248  5951614041511 5 2    15 8 7 2      C-13-H3C(O)CH3
  119439.1831  0.0126 -6.8377 3   42.8063200  5951614041210 3 2    12 7 5 2      C-13-H3C(O)CH3
  119445.9337  0.0103 -5.3918 3  135.2282328  5951614042020 0 0    2019 1 0      C-13-H3C(O)CH3
  119445.9340  0.0103 -5.3918 3  135.2282328  5951614042020 1 0    2019 2 0      C-13-H3C(O)CH3
  119447.8203  0.0728 -5.3760 3  761.1849840  595161404523319 1    523220 1      C-13-H3C(O)CH3
  119458.9052  0.0127 -7.0951 3   89.2145296  5951614041810 8 1    1713 5 1      C-13-H3C(O)CH3
  119484.6929  0.0062 -4.8274 3  193.4109408 -5951614042521 5 2    2520 6 2      C-13-H3C(O)CH3
  119497.7678  0.0027 -4.9321 3  134.7913188 -59516140423 914 4    23 815 4      C-13-H3C(O)CH3
  119497.7678  0.0021 -4.9321 3  134.7913188 -59516140423 914 3    23 815 3      C-13-H3C(O)CH3
  119499.3769  0.0027 -4.9321 3  134.7913188 -595161404231014 4    23 915 4      C-13-H3C(O)CH3
  119499.3769  0.0021 -4.9321 3  134.7913188 -595161404231014 3    23 915 3      C-13-H3C(O)CH3
  119524.0025  0.0062 -4.8271 3  193.3955408 -5951614042521 5 1    2520 6 1      C-13-H3C(O)CH3
  119524.4030  0.0091 -6.8884 3    9.5384104  595161404 6 6 0 1     5 5 1 1      C-13-H3C(O)CH3
  119527.6381  0.0059 -4.8275 3  193.4513408 -5951614042521 4 2    2520 5 2      C-13-H3C(O)CH3
  119535.2489  0.0049 -6.9225 3  212.6354472  595161404291118 0    281415 0      C-13-H3C(O)CH3
  119537.1197  0.0056 -6.9263 3  212.6250472  595161404291118 1    281415 1      C-13-H3C(O)CH3
  119565.2453  0.0130 -7.1861 3   78.7135140  59516140417 9 8 4    1612 5 4      C-13-H3C(O)CH3
  119580.2303  0.0049 -6.9222 3  212.6339472  595161404291218 0    281315 0      C-13-H3C(O)CH3
  119581.0688  0.0056 -6.9259 3  212.6236472  595161404291218 1    281315 1      C-13-H3C(O)CH3
  119582.0286  0.0056 -6.9231 3  212.6214472  595161404291118 2    281415 2      C-13-H3C(O)CH3
  119583.6800  0.0058 -7.2279 3  212.6110236  595161404291118 4    281415 4      C-13-H3C(O)CH3
  119583.8841  0.0053 -7.2279 3  212.6110236  595161404291118 3    281415 3      C-13-H3C(O)CH3
  119584.5863  0.0020 -4.6301 3  134.7789376 -59516140423 914 2    23 815 2      C-13-H3C(O)CH3
  119586.2705  0.0020 -4.6301 3  134.7789376 -595161404231014 2    23 915 2      C-13-H3C(O)CH3
  119596.6354  0.0116 -7.3730 3   42.8600100  5951614041210 3 3    12 7 5 3      C-13-H3C(O)CH3
  119598.6489  0.0020 -4.6302 3  134.7805376 -59516140423 914 1    23 815 1      C-13-H3C(O)CH3
  119600.1820  0.0020 -4.6301 3  134.7805376 -595161404231014 1    23 915 1      C-13-H3C(O)CH3
  119606.8089  0.0040 -7.6701 3    2.2528 72  595161404 4 4 0 0     3 1 3 0      C-13-H3C(O)CH3
  119627.6018  0.0056 -6.9228 3  212.6199472  595161404291218 2    281315 2      C-13-H3C(O)CH3
  119628.0820  0.0058 -7.2275 3  212.6095236  595161404291218 4    281315 4      C-13-H3C(O)CH3
  119628.4549  0.0053 -7.2276 3  212.6095236  595161404291218 3    281315 3      C-13-H3C(O)CH3
  119637.4778  0.1258 -5.3756 3  761.1798840  595161404523319 2    523220 2      C-13-H3C(O)CH3
  119681.6654  0.0037 -4.7490 3  358.9312584 -595161404362116 0    362017 0      C-13-H3C(O)CH3
  119685.2367  0.0019 -4.6291 3  134.7682376 -59516140423 914 0    23 815 0      C-13-H3C(O)CH3
  119686.9065  0.0019 -4.6291 3  134.7682376 -595161404231014 0    23 915 0      C-13-H3C(O)CH3
  119703.2240  0.0039 -4.7488 3  358.9029584 -595161404362116 2    362017 2      C-13-H3C(O)CH3
  119707.0366  0.0118 -7.7168 3  186.3066424  595161404261512 1    2518 8 1      C-13-H3C(O)CH3
  119708.2400  0.0067 -4.8265 3  193.4561408  5951614042521 4 0    2520 5 0      C-13-H3C(O)CH3
  119709.8371  0.0067 -4.8265 3  193.4560408 -5951614042521 5 0    2520 6 0      C-13-H3C(O)CH3
  119717.1867  0.0038 -4.7488 3  358.9083584 -595161404362116 1    362017 1      C-13-H3C(O)CH3
  119737.8526  0.0019 -4.6266 3   22.7998100 -59516140412 112 4    11 011 4      C-13-H3C(O)CH3
  119737.8526  0.0019 -4.6266 3   22.7998100 -59516140412 112 3    11 011 3      C-13-H3C(O)CH3
  119737.8526  0.0019 -4.6266 3   22.7998100 -59516140412 012 4    11 111 4      C-13-H3C(O)CH3
  119737.8526  0.0019 -4.6266 3   22.7998100 -59516140412 012 3    11 111 3      C-13-H3C(O)CH3
  119737.9026  0.0039 -5.0496 3  358.8800292  595161404362116 4    362017 4      C-13-H3C(O)CH3
  119739.0862  0.0038 -5.0496 3  358.8800292  595161404362116 3    362017 3      C-13-H3C(O)CH3
  119744.9905  0.0022 -4.3254 3   22.7268200 -59516140412 112 1    11 011 1      C-13-H3C(O)CH3
  119744.9905  0.0021 -4.3255 3   22.7263200 -59516140412 112 2    11 011 2      C-13-H3C(O)CH3
  119744.9905  0.0021 -4.3255 3   22.7263200 -59516140412 012 2    11 111 2      C-13-H3C(O)CH3
  119744.9905  0.0022 -4.3254 3   22.7268200 -59516140412 012 1    11 111 1      C-13-H3C(O)CH3
  119752.1079  0.0020 -4.3253 3   22.6535200 -59516140412 012 0    11 111 0      C-13-H3C(O)CH3
  119752.1079  0.0020 -4.3253 3   22.6535200 -59516140412 112 0    11 011 0      C-13-H3C(O)CH3
  119838.1791  0.0106 -6.9444 3   42.8600100  5951614041210 2 3    12 7 5 3      C-13-H3C(O)CH3
  119938.8954  0.0047 -7.2667 3   72.6533264  5951614041611 6 1    16 8 8 1      C-13-H3C(O)CH3
  119958.3717  0.3649 -6.0915 3 1179.2830A48  595161404654025 0    653926 0      C-13-H3C(O)CH3
  119977.4134  0.0184 -7.6755 3  148.4901376  5951614042314 9 2    2217 5 2      C-13-H3C(O)CH3
  120085.8932  0.0239 -5.8623 3  335.4062276  595161404342411 3    342311 3      C-13-H3C(O)CH3
  120086.4022  0.0066 -4.9047 3  473.8838664 -595161404412616 0    412517 0      C-13-H3C(O)CH3
  120114.3320  0.0049 -7.4005 3   72.6494264  5951614041611 6 2    16 8 8 2      C-13-H3C(O)CH3
  120116.4107  0.1144 -5.6723 3  761.1675420  595161404523319 3    523220 3      C-13-H3C(O)CH3
  120149.9495  0.0062 -4.9044 3  473.8656664 -595161404412616 1    412517 1      C-13-H3C(O)CH3
  120182.9816  0.3866 -6.2190 3 1251.3276A80  595161404674126 0    674027 0      C-13-H3C(O)CH3
  120227.7514  0.0174 -5.9945 3  335.4048276  595161404342411 4    342311 4      C-13-H3C(O)CH3
  120232.3908  0.0093 -5.9953 3  335.4240552  595161404342411 1    342311 1      C-13-H3C(O)CH3
  120249.7631  0.0079 -4.9042 3  473.8618664 -595161404412616 2    412517 2      C-13-H3C(O)CH3
  120273.8375  0.1318 -5.6763 3  761.1692420  595161404523319 4    523220 4      C-13-H3C(O)CH3
  120286.3891  0.0180 -5.5788 3  335.4299552  595161404342411 2    342311 2      C-13-H3C(O)CH3
  120288.8744  0.0072 -5.2056 3  473.8433332  595161404412616 4    412517 4      C-13-H3C(O)CH3
  120289.2274  0.0026 -4.6348 3  243.7235488 -595161404301515 2    301416 2      C-13-H3C(O)CH3
  120297.6636  0.0029 -4.9359 3  243.7079244 -595161404301515 3    301416 3      C-13-H3C(O)CH3
  120298.4520  0.0031 -4.9359 3  243.7079244 -595161404301515 4    301416 4      C-13-H3C(O)CH3
  120318.1081  0.0024 -4.6345 3  243.7430488 -595161404301515 0    301416 0      C-13-H3C(O)CH3
  120326.5706  0.0027 -4.6347 3  243.7273488 -595161404301515 1    301416 1      C-13-H3C(O)CH3
  120330.0776  0.0022 -4.9455 3  120.9654180 -59516140422 814 3    22 715 3      C-13-H3C(O)CH3
  120330.0776  0.0028 -4.9455 3  120.9654180 -59516140422 814 4    22 715 4      C-13-H3C(O)CH3
  120330.5013  0.0022 -4.9455 3  120.9654180 -59516140422 914 3    22 815 3      C-13-H3C(O)CH3
  120330.5013  0.0028 -4.9455 3  120.9654180 -59516140422 914 4    22 815 4      C-13-H3C(O)CH3
  120331.4542  0.0152 -7.3675 3  148.4754376  5951614042314 9 0    2217 6 0      C-13-H3C(O)CH3
  120335.0869  0.0086 -5.2043 3  473.8438332  595161404412616 3    412517 3      C-13-H3C(O)CH3
  120374.2038  0.4361 -6.0893 3 1179.2742A48  595161404654025 2    653926 2      C-13-H3C(O)CH3
  120409.4584  0.0033 -7.7601 3    4.7262 88  595161404 5 4 1 2     4 1 3 2      C-13-H3C(O)CH3
  120410.6381  0.0031 -7.6802 3    4.7269 88  595161404 5 4 1 1     4 1 3 1      C-13-H3C(O)CH3
  120431.4655  0.0068 -4.8008 3  335.4240552 -595161404342410 1    342311 1      C-13-H3C(O)CH3
  120435.0858  0.0021 -4.6433 3  120.9468360 -59516140422 814 2    22 715 2      C-13-H3C(O)CH3
  120435.5399  0.0021 -4.6433 3  120.9468360 -59516140422 914 2    22 815 2      C-13-H3C(O)CH3
  120446.6800  0.0021 -4.6434 3  120.9481360 -59516140422 814 1    22 715 1      C-13-H3C(O)CH3
  120447.0914  0.0021 -4.6434 3  120.9481360 -59516140422 914 1    22 815 1      C-13-H3C(O)CH3
  120471.9512  0.0029 -7.5100 3    4.8000 44  595161404 5 4 1 4     4 1 3 4      C-13-H3C(O)CH3
  120473.3521  0.4340 -6.2174 3 1251.3207A80  595161404674126 2    674027 2      C-13-H3C(O)CH3
  120478.7836  0.0190 -7.6636 3  148.4855376  5951614042314 9 1    2217 5 1      C-13-H3C(O)CH3
  120480.9108  0.0081 -7.3812 3   23.5714152  595161404 9 8 2 1     9 5 5 1      C-13-H3C(O)CH3
  120489.5933  0.0147 -5.1303 3  335.4048276  595161404342410 4    342311 4      C-13-H3C(O)CH3
  120541.9371  0.0058 -4.7734 3  335.4481552  595161404342410 0    342311 0      C-13-H3C(O)CH3
  120547.6379  0.0131 -5.1518 3  335.4062276  595161404342410 3    342311 3      C-13-H3C(O)CH3
  120548.5859  0.0115 -5.1599 3  392.1388300  595161404372513 4    372414 4      C-13-H3C(O)CH3
  120551.4388  0.0020 -4.6422 3  120.9296360 -59516140422 814 0    22 715 0      C-13-H3C(O)CH3
  120551.8886  0.0020 -4.6422 3  120.9296360 -59516140422 914 0    22 815 0      C-13-H3C(O)CH3
  120553.1590  0.0023 -6.5576 3    3.8277 44  595161404 5 3 3 4     4 0 4 4      C-13-H3C(O)CH3
  120560.0837  0.3376 -6.0883 3 1179.2645A48  595161404654025 1    653926 1      C-13-H3C(O)CH3
  120574.0965  0.0020 -6.5574 3    3.8277 44  595161404 5 3 3 3     4 0 4 3      C-13-H3C(O)CH3
  120583.1237  0.0057 -4.8204 3  392.1593600 -595161404372513 1    372414 1      C-13-H3C(O)CH3
  120596.8163  0.0026 -4.6327 3  243.7246488 -595161404301615 2    301516 2      C-13-H3C(O)CH3
  120600.1401  0.0030 -4.9339 3  243.7090244 -595161404301615 4    301516 4      C-13-H3C(O)CH3
  120600.1401  0.0027 -4.9339 3  243.7090244 -595161404301615 3    301516 3      C-13-H3C(O)CH3
  120618.7529  0.0062 -4.8813 3  453.6797648 -595161404402615 0    402516 0      C-13-H3C(O)CH3
  120621.6550  0.0160 -7.5960 3  205.8699440  595161404271710 0    2620 7 0      C-13-H3C(O)CH3
  120621.7895  0.0024 -4.6325 3  243.7440488 -595161404301615 0    301516 0      C-13-H3C(O)CH3
  120625.0582  0.0026 -4.6326 3  243.7284488 -595161404301615 1    301516 1      C-13-H3C(O)CH3
  120631.2046  0.0058 -4.8158 3  392.1799600 -595161404372513 0    372414 0      C-13-H3C(O)CH3
  120645.3392  0.0122 -4.8468 3  335.4299552 -595161404342410 2    342311 2      C-13-H3C(O)CH3
  120649.9120  0.0093 -4.8456 3  392.1602600 -595161404372513 2    372414 2      C-13-H3C(O)CH3
  120651.8069  0.0060 -4.8819 3  453.6617648 -595161404402615 1    402516 1      C-13-H3C(O)CH3
  120669.7015  0.0104 -5.1321 3  392.1399300  595161404372513 3    372414 3      C-13-H3C(O)CH3
  120678.5868  0.3566 -6.2163 3 1251.3075A80  595161404674126 1    674027 1      C-13-H3C(O)CH3
  120697.6966  0.0067 -6.1826 3   64.9720124  5951614041511 4 3    15 8 7 3      C-13-H3C(O)CH3
  120700.4135  0.0097 -7.3825 3   23.5706152  595161404 9 8 2 2     9 5 5 2      C-13-H3C(O)CH3
  120708.5419  0.0026 -6.2550 3    3.7529 88  595161404 5 3 3 1     4 0 4 1      C-13-H3C(O)CH3
  120712.4626  0.0027 -6.2548 3    3.7524 88  595161404 5 3 3 2     4 0 4 2      C-13-H3C(O)CH3
  120742.6980  0.0080 -5.1886 3  453.6409324  595161404402615 4    402516 4      C-13-H3C(O)CH3
  120760.6950  0.0076 -4.8838 3  453.6595648 -595161404402615 2    402516 2      C-13-H3C(O)CH3
  120770.5790  0.0165 -7.3981 3   89.1955148  5951614041810 8 4    1713 5 4      C-13-H3C(O)CH3
  120835.0237  0.0083 -7.7375 3    9.5806 52  595161404 6 6 0 4     5 5 1 4      C-13-H3C(O)CH3
  120844.2604  0.0093 -5.1818 3  453.6419324  595161404402615 3    402516 3      C-13-H3C(O)CH3
  120857.1429  0.0029 -6.2534 3    3.6778 88  595161404 5 3 3 0     4 0 4 0      C-13-H3C(O)CH3
  120880.5511  0.0040 -6.6561 3  124.6283360  59516140422 913 1    211210 1      C-13-H3C(O)CH3
  120894.2000  0.0037 -6.6513 3  124.6154360  59516140422 913 0    211210 0      C-13-H3C(O)CH3
  120906.7100  0.0038 -6.9587 3  124.6376180  59516140422 913 3    211210 3      C-13-H3C(O)CH3
  120912.5559  0.0047 -6.9586 3  124.6374180  59516140422 913 4    211210 4      C-13-H3C(O)CH3
  120923.3309  0.0039 -6.6529 3  124.6246360  59516140422 913 2    211210 2      C-13-H3C(O)CH3
  120932.0420  0.0047 -7.1377 3   26.3250 84  59516140410 6 4 3    10 3 7 3      C-13-H3C(O)CH3
  120946.2926  0.0056 -7.5603 3  410.8636616  595161404382513 1    382415 1      C-13-H3C(O)CH3
  120970.3728  0.3419 -6.5158 3 1251.3006540  595161404674126 3    674027 3      C-13-H3C(O)CH3
  120970.8510  0.0138 -7.6103 3  202.2497440  595161404271612 2    2619 7 2      C-13-H3C(O)CH3
  120973.3833  0.3578 -6.3871 3 1179.2558524  595161404654025 3    653926 3      C-13-H3C(O)CH3
  120979.1481  0.3578 -6.5158 3 1251.3008540  595161404674126 4    674027 4      C-13-H3C(O)CH3
  120979.9176  0.0051 -6.8282 3   26.2639168  59516140410 6 4 2    10 3 7 2      C-13-H3C(O)CH3
  120980.8549  0.0073 -5.1867 3  181.5057196  5951614042421 4 3    2420 4 3      C-13-H3C(O)CH3
  120982.9324  0.0066 -7.1379 3   26.3251 84  59516140410 6 4 4    10 3 7 4      C-13-H3C(O)CH3
  120984.1206  0.0104 -6.5079 3   42.7566200  5951614041210 2 0    12 7 5 0      C-13-H3C(O)CH3
  120988.8490  0.3781 -6.3871 3 1179.2561524  595161404654025 4    653926 4      C-13-H3C(O)CH3
  120991.5997  0.3237 -5.9629 3 1109.3515A16  595161404633924 0    633825 0      C-13-H3C(O)CH3
  121000.4242  0.0089 -5.1870 3  181.5525196  5951614042421 3 4    2420 4 4      C-13-H3C(O)CH3
  121031.6808  0.0151 -7.7304 3  218.8196456  595161404281712 2    2720 7 2      C-13-H3C(O)CH3
  121039.3099  0.0089 -7.5542 3   23.6311 76  595161404 9 8 2 3     9 5 5 3      C-13-H3C(O)CH3
  121043.3245  0.0023 -4.9671 3  107.7253172  59516140421 714 3    21 615 3      C-13-H3C(O)CH3
  121043.3626  0.0030 -4.9671 3  107.7253172  59516140421 714 4    21 615 4      C-13-H3C(O)CH3
  121043.4240  0.0023 -4.9671 3  107.7253172  59516140421 814 3    21 715 3      C-13-H3C(O)CH3
  121043.4611  0.0030 -4.9671 3  107.7253172  59516140421 814 4    21 715 4      C-13-H3C(O)CH3
  121059.9980  0.0051 -6.8312 3   26.2647168  59516140410 6 4 1    10 3 7 1      C-13-H3C(O)CH3
  121083.5203  0.0050 -6.8227 3   26.2037168  59516140410 6 4 0    10 3 7 0      C-13-H3C(O)CH3
  121086.3723  0.0080 -7.4828 3  410.8425308  595161404382513 3    382415 3      C-13-H3C(O)CH3
  121107.0446  0.0059 -5.0617 3  236.0225228  5951614042822 6 3    2821 7 3      C-13-H3C(O)CH3
  121118.7665  0.0077 -5.1857 3  181.4572196  5951614042421 4 4    2420 5 4      C-13-H3C(O)CH3
  121120.9162  0.0098 -6.7602 3  410.8620616  595161404382513 2    382415 2      C-13-H3C(O)CH3
  121138.4615  0.0076 -5.1860 3  181.5039196  5951614042421 3 3    2420 5 3      C-13-H3C(O)CH3
  121166.6344  0.0023 -4.6647 3  107.7000344 -59516140421 814 2    21 715 2      C-13-H3C(O)CH3
  121166.6344  0.0023 -4.6647 3  107.7000344 -59516140421 714 2    21 615 2      C-13-H3C(O)CH3
  121171.0195  0.0073 -5.0612 3  236.0450228  5951614042822 6 4    2821 7 4      C-13-H3C(O)CH3
  121176.0923  0.0023 -4.6649 3  107.7011344 -59516140421 714 1    21 615 1      C-13-H3C(O)CH3
  121176.0923  0.0023 -4.6649 3  107.7011344 -59516140421 814 1    21 715 1      C-13-H3C(O)CH3
  121189.5385  0.0133 -7.6269 3  202.2474440  595161404271612 1    2619 7 1      C-13-H3C(O)CH3
  121196.9427  0.0063 -5.0604 3  235.9902228  5951614042822 7 4    2821 8 4      C-13-H3C(O)CH3
  121200.9231  0.0139 -6.8046 3  410.8418308  595161404382513 4    382415 4      C-13-H3C(O)CH3
  121212.7320  0.0339 -6.7750 3  283.3401252  5951614043123 9 4    3122 9 4      C-13-H3C(O)CH3
  121218.2462  0.0072 -4.8848 3  181.5571392 -5951614042421 3 1    2420 4 1      C-13-H3C(O)CH3
  121226.0043  0.0092 -7.3634 3  202.2542440  595161404271612 0    2619 7 0      C-13-H3C(O)CH3
  121259.9275  0.0059 -5.0609 3  236.0126228  5951614042822 7 3    2821 8 3      C-13-H3C(O)CH3
  121259.9917  0.0104 -7.4523 3  218.8277456  595161404281712 0    2720 7 0      C-13-H3C(O)CH3
  121280.0985  0.0055 -4.7596 3  236.0568456 -5951614042822 6 1    2821 7 1      C-13-H3C(O)CH3
  121293.2128  0.0072 -4.8841 3  181.5230392 -5951614042421 4 2    2420 5 2      C-13-H3C(O)CH3
  121297.2976  0.0109 -6.7806 3   42.8110200  5951614041210 2 1    12 7 5 1      C-13-H3C(O)CH3
  121299.0993  0.0022 -4.6635 3  107.6759344 -59516140421 714 0    21 615 0      C-13-H3C(O)CH3
  121299.0993  0.0022 -4.6635 3  107.6759344 -59516140421 814 0    21 715 0      C-13-H3C(O)CH3
  121304.8957  0.0143 -7.7400 3  218.8151456  595161404281712 1    2720 7 1      C-13-H3C(O)CH3
  121314.4277  0.0067 -4.8844 3  181.5698392 -5951614042421 3 2    2420 4 2      C-13-H3C(O)CH3
  121329.2307  0.0141 -7.7274 3   41.0902100  59516140412 9 3 4    1110 2 4      C-13-H3C(O)CH3
  121354.6981  0.0071 -4.8837 3  181.5086392 -5951614042421 4 1    2420 5 1      C-13-H3C(O)CH3
  121360.0873  0.0055 -4.7590 3  236.0409456 -5951614042822 7 2    2821 8 2      C-13-H3C(O)CH3
  121366.8410  0.0054 -4.7588 3  236.0245456 -5951614042822 7 1    2821 8 1      C-13-H3C(O)CH3
  121398.5049  0.0513 -5.2743 3  705.2166808  595161404503218 0    503119 0      C-13-H3C(O)CH3
  121425.0145  0.0053 -4.7590 3  236.0634456 -5951614042822 6 2    2821 7 2      C-13-H3C(O)CH3
  121439.3414  0.0190 -6.3218 3  283.3588504  5951614043123 9 1    3122 9 1      C-13-H3C(O)CH3
  121466.3907  0.0105 -6.7819 3   42.8063200  5951614041210 2 2    12 7 5 2      C-13-H3C(O)CH3
  121516.2574  0.0063 -5.8764 3   64.8931248  5951614041511 4 0    15 8 7 0      C-13-H3C(O)CH3
  121520.7176  0.0169 -7.6546 3  148.4386376  5951614042314 9 2    2217 6 2      C-13-H3C(O)CH3
  121522.4244  0.0058 -4.7583 3  236.0754456  5951614042822 6 0    2821 7 0      C-13-H3C(O)CH3
  121526.8768  0.4067 -5.9601 3 1109.3415A16  595161404633924 2    633825 2      C-13-H3C(O)CH3
  121532.0661  0.0075 -4.8831 3  181.5742392  5951614042421 3 0    2420 4 0      C-13-H3C(O)CH3
  121532.3019  0.0075 -4.8831 3  181.5742392 -5951614042421 4 0    2420 5 0      C-13-H3C(O)CH3
  121532.6605  0.0304 -6.4694 3  283.3362252  5951614043123 9 3    3122 9 3      C-13-H3C(O)CH3
  121534.4493  0.0075 -5.9872 3   64.9353248  5951614041511 4 1    15 8 7 1      C-13-H3C(O)CH3
  121543.6601  0.0058 -4.7581 3  236.0746456 -5951614042822 7 0    2821 8 0      C-13-H3C(O)CH3
  121587.5964  0.0123 -5.1448 3  335.3561276  595161404342411 3    342312 3      C-13-H3C(O)CH3
  121635.5142  0.0076 -5.9741 3   64.9301248  5951614041511 4 2    15 8 7 2      C-13-H3C(O)CH3
  121643.6250  0.0073 -4.7924 3  335.3769552 -595161404342411 1    342312 1      C-13-H3C(O)CH3
  121649.1923  0.0118 -5.1225 3  335.3574276  595161404342411 4    342312 4      C-13-H3C(O)CH3
  121653.0300  0.0025 -4.9989 3   95.0732164  59516140420 614 3    20 515 3      C-13-H3C(O)CH3
  121653.0509  0.0025 -4.9989 3   95.0732164  59516140420 714 3    20 615 3      C-13-H3C(O)CH3
  121653.0792  0.0032 -4.9989 3   95.0732164  59516140420 614 4    20 515 4      C-13-H3C(O)CH3
  121653.0998  0.0032 -4.9989 3   95.0732164  59516140420 714 4    20 615 4      C-13-H3C(O)CH3
  121669.8919  0.3007 -5.9593 3 1109.3352A16  595161404633924 1    633825 1      C-13-H3C(O)CH3
  121693.8399  0.0072 -6.8018 3  392.1593600  595161404372512 1    372414 1      C-13-H3C(O)CH3
  121727.8730  0.0105 -4.8396 3  335.3818552 -595161404342411 2    342312 2      C-13-H3C(O)CH3
  121728.0303  0.0044 -6.1384 3   37.8229100  59516140412 7 6 4    11 8 3 4      C-13-H3C(O)CH3
  121760.8349  0.0074 -6.2837 3   26.2991 84  59516140410 6 4 4     9 7 2 4      C-13-H3C(O)CH3
  121762.2813  0.0049 -7.4442 3   22.1160 76  595161404 9 7 3 4     9 4 6 4      C-13-H3C(O)CH3
  121768.0836  0.0055 -4.7649 3  335.4017552 -595161404342411 0    342312 0      C-13-H3C(O)CH3
  121794.5795  0.0026 -4.6963 3   95.0408328  59516140420 614 2    20 515 2      C-13-H3C(O)CH3
  121794.6013  0.0026 -4.6963 3   95.0408328  59516140420 714 2    20 615 2      C-13-H3C(O)CH3
  121802.1190  0.0026 -4.6965 3   95.0417328 -59516140420 714 1    20 615 1      C-13-H3C(O)CH3
  121802.1190  0.0026 -4.6965 3   95.0417328 -59516140420 614 1    20 515 1      C-13-H3C(O)CH3
  121806.3109  0.0134 -7.0862 3   42.8616100  5951614041210 2 4    12 7 5 4      C-13-H3C(O)CH3
  121826.3713  0.0070 -5.0623 3  283.3362252  5951614043123 8 3    3122 9 3      C-13-H3C(O)CH3
  121842.7176  0.0077 -5.9846 3  335.3769552  595161404342410 1    342312 1      C-13-H3C(O)CH3
  121858.4592  0.0033 -4.7128 3  337.6075568 -595161404352016 0    351917 0      C-13-H3C(O)CH3
  121866.6958  0.0036 -4.7127 3  337.5797568 -595161404352016 2    351917 2      C-13-H3C(O)CH3
  121867.5199  0.0211 -5.4191 3  283.3621504  5951614043123 9 2    3122 9 2      C-13-H3C(O)CH3
  121868.9063  0.0145 -6.5604 3  392.1399300  595161404372512 3    372414 3      C-13-H3C(O)CH3
  121884.1483  0.3842 -6.3446 3 1325.4713B12  595161404694227 0    694128 0      C-13-H3C(O)CH3
  121888.8929  0.0504 -5.2734 3  705.2062808  595161404503218 1    503119 1      C-13-H3C(O)CH3
  121890.8484  0.0035 -4.7127 3  337.5847568 -595161404352016 1    351917 1      C-13-H3C(O)CH3
  121898.2344  0.0133 -7.7296 3  202.2188440  595161404271612 2    2619 8 2      C-13-H3C(O)CH3
  121898.7042  0.0038 -5.0136 3  337.5569284  595161404352016 4    351917 4      C-13-H3C(O)CH3
  121899.2957  0.0037 -5.0136 3  337.5569284  595161404352016 3    351917 3      C-13-H3C(O)CH3
  121911.0342  0.0203 -5.9818 3  335.3574276  595161404342410 4    342312 4      C-13-H3C(O)CH3
  121916.5941  0.0077 -5.0536 3  283.3401252  5951614043123 8 4    3122 9 4      C-13-H3C(O)CH3
  121926.9039  0.0068 -5.0530 3  283.3162252  5951614043123 9 4    312210 4      C-13-H3C(O)CH3
  121936.9962  0.0058 -4.7559 3  283.3588504 -5951614043123 8 1    3122 9 1      C-13-H3C(O)CH3
  121940.8700  0.0087 -6.6209 3   59.8645232  5951614041412 3 0    1313 0 0      C-13-H3C(O)CH3
  121943.3964  0.0024 -4.6950 3   95.0093328 -59516140420 614 0    20 515 0      C-13-H3C(O)CH3
  121943.3964  0.0024 -4.6950 3   95.0093328 -59516140420 714 0    20 615 0      C-13-H3C(O)CH3
  121946.3323  0.0069 -7.1170 3   23.5113152  595161404 9 8 2 0     9 5 5 0      C-13-H3C(O)CH3
  121954.6120  0.0087 -6.6208 3   59.8645232  5951614041412 2 0    1313 1 0      C-13-H3C(O)CH3
  121960.9553  0.0094 -6.4575 3   39.3747100  59516140412 8 5 4    11 9 2 4      C-13-H3C(O)CH3
  121961.4327  0.0139 -7.7127 3   48.9345216  5951614041310 4 1    1211 1 1      C-13-H3C(O)CH3
  121982.0011  0.0167 -5.9852 3  392.1602600  595161404372512 2    372414 2      C-13-H3C(O)CH3
  121985.7916  0.1516 -6.3718 3 1175.1867524  595161404653926 3    653827 3      C-13-H3C(O)CH3
  121986.8372  0.0022 -5.1620 3   19.4969 76  595161404 9 4 5 3     8 5 4 3      C-13-H3C(O)CH3
  121990.2740  0.0101 -6.3559 3   64.9730124  5951614041511 4 4    15 8 7 4      C-13-H3C(O)CH3
  121991.3790  0.1481 -6.3718 3 1175.1869524  595161404653926 4    653827 4      C-13-H3C(O)CH3
  121997.5475  0.0024 -4.8628 3   19.4346152 -595161404 9 4 5 2     8 5 4 2      C-13-H3C(O)CH3
  122015.1174  0.0069 -5.0613 3  283.3201252  5951614043123 9 3    312210 3      C-13-H3C(O)CH3
  122015.7610  0.0020 -4.8634 3   19.3737152 -595161404 9 4 5 0     8 5 4 0      C-13-H3C(O)CH3
  122032.2212  0.0056 -4.7551 3  283.3390504 -5951614043123 9 1    312210 1      C-13-H3C(O)CH3
  122034.5374  0.0023 -4.8616 3   19.4350152 -595161404 9 4 5 1     8 5 4 1      C-13-H3C(O)CH3
  122037.3248  0.0135 -7.6242 3   48.9387216  5951614041310 4 2    1211 1 2      C-13-H3C(O)CH3
  122043.7610  0.0085 -6.6194 3   59.9171232  5951614041412 2 2    1313 0 2      C-13-H3C(O)CH3
  122045.8005  0.0023 -5.1621 3   19.4953 76  595161404 9 4 5 4     8 5 4 4      C-13-H3C(O)CH3
  122046.3884  0.0217 -6.8814 3  599.7595744  595161404463017 1    462917 1      C-13-H3C(O)CH3
  122049.3411  0.0245 -5.8484 3  335.3561276  595161404342410 3    342312 3      C-13-H3C(O)CH3
  122051.5050  0.0227 -6.1374 3  392.1388300  595161404372512 4    372414 4      C-13-H3C(O)CH3
  122057.0187  0.3926 -6.3437 3 1325.4667B12  595161404694227 2    694128 2      C-13-H3C(O)CH3
  122059.1737  0.0055 -4.7437 3  283.3820504  5951614043123 8 0    3122 9 0      C-13-H3C(O)CH3
  122072.5135  0.0088 -4.8468 3  283.3621504 -5951614043123 8 2    3122 9 2      C-13-H3C(O)CH3
  122086.8954  0.0198 -5.5659 3  335.3818552  595161404342410 2    342312 2      C-13-H3C(O)CH3
  122089.1265  0.0246 -5.8655 3  374.0688292  595161404362512 4    362412 4      C-13-H3C(O)CH3
  122090.7309  0.1540 -6.0706 3 1175.2017A48  595161404653926 2    653827 2      C-13-H3C(O)CH3
  122090.8384  0.1513 -6.0705 3 1175.1920A48  595161404653926 1    653827 1      C-13-H3C(O)CH3
  122108.5232  0.0094 -4.8462 3  283.3540504 -5951614043123 9 2    312210 2      C-13-H3C(O)CH3
  122110.3162  0.0342 -6.5609 3  599.7482372  595161404463017 4    462917 4      C-13-H3C(O)CH3
  122130.6489  0.0938 -5.2735 3  705.2010808  595161404503218 2    503119 2      C-13-H3C(O)CH3
  122172.2349  0.0028 -5.0439 3   83.0112156  59516140419 514 3    19 415 3      C-13-H3C(O)CH3
  122172.2388  0.0028 -5.0439 3   83.0112156  59516140419 614 3    19 515 3      C-13-H3C(O)CH3
  122172.3065  0.0035 -5.0439 3   83.0112156  59516140419 514 4    19 415 4      C-13-H3C(O)CH3
  122172.3103  0.0035 -5.0439 3   83.0112156  59516140419 614 4    19 515 4      C-13-H3C(O)CH3
  122184.9726  0.0032 -5.7806 3   37.7604200  59516140412 7 6 1    11 8 3 1      C-13-H3C(O)CH3
  122193.8089  0.0034 -5.7728 3   37.7588200  59516140412 7 6 2    11 8 3 2      C-13-H3C(O)CH3
  122195.0216  0.0056 -6.2903 3   26.2234168  59516140410 6 4 2     9 7 2 2      C-13-H3C(O)CH3
  122195.8660  0.3429 -6.2575 3 1109.3253508  595161404633924 3    633825 3      C-13-H3C(O)CH3
  122199.8682  0.0354 -6.5917 3  599.7564744  595161404463017 2    462917 2      C-13-H3C(O)CH3
  122201.5934  0.1544 -6.0704 3 1175.2068A48  595161404653926 0    653827 0      C-13-H3C(O)CH3
  122202.1080  0.0090 -6.6180 3   59.9081232  5951614041412 2 1    1313 0 1      C-13-H3C(O)CH3
  122219.0688  0.0025 -4.9153 3  225.8089236 -595161404291415 3    291316 3      C-13-H3C(O)CH3
  122219.5038  0.0029 -4.9153 3  225.8089236 -595161404291415 4    291316 4      C-13-H3C(O)CH3
  122221.9766  0.3669 -6.2576 3 1109.3258508  595161404633924 4    633825 4      C-13-H3C(O)CH3
  122226.6926  0.0024 -4.6140 3  225.8218472 -595161404291415 2    291316 2      C-13-H3C(O)CH3
  122249.0019  0.0054 -4.7423 3  283.3751504 -5951614043123 9 0    312210 0      C-13-H3C(O)CH3
  122253.9738  0.3539 -6.3425 3 1325.4502B12  595161404694227 1    694128 1      C-13-H3C(O)CH3
  122255.0866  0.0231 -5.9573 3  374.0677292  595161404362512 3    362412 3      C-13-H3C(O)CH3
  122256.1851  0.0024 -4.6140 3  225.8252472 -595161404291415 1    291316 1      C-13-H3C(O)CH3
  122257.8808  0.0204 -5.5898 3  374.0903584  595161404362512 2    362412 2      C-13-H3C(O)CH3
  122262.8970  0.0059 -6.2327 3   26.2246168  59516140410 6 4 1     9 7 2 1      C-13-H3C(O)CH3
  122263.7635  0.0022 -4.6137 3  225.8381472 -595161404291415 0    291316 0      C-13-H3C(O)CH3
  122295.9100  0.0173 -7.6479 3  148.4248376  5951614042314 9 1    2217 6 1      C-13-H3C(O)CH3
  122299.5994  0.0113 -6.9176 3   59.9609116  5951614041412 2 4    1313 0 4      C-13-H3C(O)CH3
  122308.4078  0.0078 -6.1688 3  374.0848584  595161404362512 1    362412 1      C-13-H3C(O)CH3
  122308.8282  0.0307 -6.4637 3  283.3201252  5951614043123 8 3    312210 3      C-13-H3C(O)CH3
  122310.1612  0.0061 -4.8807 3  469.8039664 -595161404412517 0    412418 0      C-13-H3C(O)CH3
  122313.6094  0.0203 -5.4164 3  283.3540504  5951614043123 8 2    312210 2      C-13-H3C(O)CH3
  122331.9782  0.0030 -4.7412 3   82.9713312 -59516140419 514 2    19 415 2      C-13-H3C(O)CH3
  122331.9782  0.0030 -4.7412 3   82.9713312 -59516140419 614 2    19 515 2      C-13-H3C(O)CH3
  122334.2346  0.0028 -4.9145 3  225.8093236 -595161404291515 4    291416 4      C-13-H3C(O)CH3
  122334.2346  0.0025 -4.9145 3  225.8093236 -595161404291515 3    291416 3      C-13-H3C(O)CH3
  122337.7735  0.0030 -4.7414 3   82.9720312 -59516140419 514 1    19 415 1      C-13-H3C(O)CH3
  122337.7735  0.0030 -4.7414 3   82.9720312 -59516140419 614 1    19 515 1      C-13-H3C(O)CH3
  122344.0786  0.0024 -4.6132 3  225.8222472 -595161404291515 2    291416 2      C-13-H3C(O)CH3
  122353.8428  0.0020 -5.7445 3   37.7060200  59516140412 7 6 0    11 8 3 0      C-13-H3C(O)CH3
  122363.8151  0.0087 -6.6169 3   59.8333232  5951614041412 3 2    1313 1 2      C-13-H3C(O)CH3
  122368.5153  0.0059 -4.8803 3  469.7839664 -595161404412517 1    412418 1      C-13-H3C(O)CH3
  122369.7940  0.0024 -4.6132 3  225.8255472 -595161404291515 1    291416 1      C-13-H3C(O)CH3
  122379.6691  0.0022 -4.6129 3  225.8384472 -595161404291515 0    291416 0      C-13-H3C(O)CH3
  122394.0115  0.0091 -6.6171 3   59.8219232  5951614041412 3 1    1313 1 1      C-13-H3C(O)CH3
  122408.1030  0.0059 -4.8801 3  469.7787664 -595161404412517 2    412418 2      C-13-H3C(O)CH3
  122422.2931  0.0030 -6.0518 3   37.8004100  59516140412 7 6 3    11 8 3 3      C-13-H3C(O)CH3
  122430.2391  0.2889 -6.6426 3 1325.4457556  595161404694227 3    694128 3      C-13-H3C(O)CH3
  122434.5540  0.2993 -6.6426 3 1325.4458556  595161404694227 4    694128 4      C-13-H3C(O)CH3
  122460.6360  0.0049 -5.1807 3  469.7585332  595161404412517 4    412418 4      C-13-H3C(O)CH3
  122471.0053  0.0051 -5.1806 3  469.7586332  595161404412517 3    412418 3      C-13-H3C(O)CH3
  122485.7685  0.0127 -7.6972 3  202.2042440  595161404271612 1    2619 8 1      C-13-H3C(O)CH3
  122490.6592  0.0101 -6.9173 3   59.8745116  5951614041412 3 3    1313 1 3      C-13-H3C(O)CH3
  122495.1977  0.1692 -6.1804 3 1069.2394500  595161404623725 3    623626 3      C-13-H3C(O)CH3
  122497.1807  0.0028 -4.7397 3   82.9322312 -59516140419 614 0    19 515 0      C-13-H3C(O)CH3
  122497.1807  0.0028 -4.7397 3   82.9322312 -59516140419 514 0    19 415 0      C-13-H3C(O)CH3
  122501.8833  0.1667 -6.1804 3 1069.2396500  595161404623725 4    623626 4      C-13-H3C(O)CH3
  122503.5598  0.0862 -5.5691 3  705.1897404  595161404503218 3    503119 3      C-13-H3C(O)CH3
  122510.7551  0.0098 -5.2742 3  170.1918188  5951614042321 2 4    2320 3 4      C-13-H3C(O)CH3
  122514.0744  0.0083 -5.2738 3  170.1392188  5951614042321 3 3    2320 4 3      C-13-H3C(O)CH3
  122529.9299  0.0185 -6.3144 3  283.3390504  5951614043123 8 1    312210 1      C-13-H3C(O)CH3
  122534.2049  0.0076 -7.4612 3   23.5714152  595161404 9 8 1 1     9 5 5 1      C-13-H3C(O)CH3
  122556.3587  0.0076 -4.7884 3  398.9420616 -595161404382117 2    382018 2      C-13-H3C(O)CH3
  122571.9839  0.0076 -7.4607 3   23.5706152  595161404 9 8 1 2     9 5 5 2      C-13-H3C(O)CH3
  122587.9740  0.0088 -5.0892 3  398.9185308  595161404382117 3    382018 3      C-13-H3C(O)CH3
  122591.0846  0.0083 -5.0891 3  398.9185308  595161404382117 4    382018 4      C-13-H3C(O)CH3
  122612.1262  0.0031 -5.1075 3   71.5413148  59516140418 414 3    18 315 3      C-13-H3C(O)CH3
  122612.1268  0.0031 -5.1075 3   71.5413148  59516140418 514 3    18 415 3      C-13-H3C(O)CH3
  122612.2306  0.0038 -5.1075 3   71.5413148  59516140418 414 4    18 315 4      C-13-H3C(O)CH3
  122612.2312  0.0038 -5.1075 3   71.5413148  59516140418 514 4    18 415 4      C-13-H3C(O)CH3
  122619.4224  0.0096 -6.9157 3   59.8769116  5951614041412 2 3    1313 0 3      C-13-H3C(O)CH3
  122625.8666  0.0053 -4.7881 3  398.9712616 -595161404382117 0    382018 0      C-13-H3C(O)CH3
  122630.7660  0.0323 -6.7658 3  283.3162252  5951614043123 8 4    312210 4      C-13-H3C(O)CH3
  122635.3135  0.0085 -4.8187 3  374.0848584 -595161404362511 1    362412 1      C-13-H3C(O)CH3
  122635.6381  0.0115 -7.5576 3  520.6975744  595161404461630 1    451927 1      C-13-H3C(O)CH3
  122635.6384  0.0115 -7.5576 3  520.6975744  595161404461730 1    451827 1      C-13-H3C(O)CH3
  122646.9760  0.0120 -7.5557 3  520.6961744  595161404461630 2    451927 2      C-13-H3C(O)CH3
  122646.9763  0.0120 -7.5558 3  520.6961744  595161404461730 2    451827 2      C-13-H3C(O)CH3
  122657.7164  0.0063 -4.7878 3  398.9478616 -595161404382117 1    382018 1      C-13-H3C(O)CH3
  122658.1474  0.0085 -7.5622 3  378.0604316  595161404391425 3    381722 3      C-13-H3C(O)CH3
  122658.1990  0.0085 -7.5622 3  378.0604316  595161404391525 3    381622 3      C-13-H3C(O)CH3
  122658.2099  0.0085 -7.5622 3  378.0603316  595161404391425 4    381722 4      C-13-H3C(O)CH3
  122658.2612  0.0085 -7.5622 3  378.0603316  595161404391525 4    381622 4      C-13-H3C(O)CH3
  122659.4423  0.0087 -7.2612 3  378.0892632  595161404391425 1    381722 1      C-13-H3C(O)CH3
  122659.4897  0.0087 -7.2612 3  378.0892632  595161404391525 1    381622 1      C-13-H3C(O)CH3
  122671.2190  0.0054 -7.0831 3   22.0540152  595161404 9 7 3 1     9 4 6 1      C-13-H3C(O)CH3
  122671.9017  0.0087 -5.2731 3  170.1406188  5951614042321 2 3    2320 3 3      C-13-H3C(O)CH3
  122674.7962  0.0087 -5.2727 3  170.0881188  5951614042321 3 4    2320 4 4      C-13-H3C(O)CH3
  122680.9518  0.0071 -4.9155 3  494.5135680 -595161404422617 0    422518 0      C-13-H3C(O)CH3
  122682.7314  0.0087 -7.2587 3  378.0868632  595161404391425 2    381722 2      C-13-H3C(O)CH3
  122682.7813  0.0087 -7.2587 3  378.0868632  595161404391525 2    381622 2      C-13-H3C(O)CH3
  122683.9532  0.0075 -7.2587 3  378.1156632  595161404391425 0    381722 0      C-13-H3C(O)CH3
  122683.9991  0.0075 -7.2587 3  378.1156632  595161404391525 0    381622 0      C-13-H3C(O)CH3
  122695.9168  0.0098 -7.5575 3  520.7211744  595161404461630 0    451927 0      C-13-H3C(O)CH3
  122695.9171  0.0098 -7.5575 3  520.7211744  595161404461730 0    451827 0      C-13-H3C(O)CH3
  122701.4466  0.0067 -4.7994 3  374.1066584 -595161404362511 0    362412 0      C-13-H3C(O)CH3
  122716.5251  0.1335 -5.8786 3 1069.2458A00  595161404623725 1    623626 1      C-13-H3C(O)CH3
  122724.5172  0.1028 -5.5776 3  705.1920404  595161404503218 4    503119 4      C-13-H3C(O)CH3
  122730.1108  0.1710 -5.8786 3 1069.2512A00  595161404623725 2    623626 2      C-13-H3C(O)CH3
  122753.1860  0.0066 -4.9150 3  494.4952680 -595161404422617 1    422518 1      C-13-H3C(O)CH3
  122759.2131  0.0035 -7.3207 3   22.1161 76  595161404 9 7 3 3     9 4 6 3      C-13-H3C(O)CH3
  122762.2898  0.0082 -4.9718 3  170.1966376  5951614042321 2 1    2320 3 1      C-13-H3C(O)CH3
  122775.4690  0.1526 -6.2676 3 1286.0209A96  595161404684127 2    684028 2      C-13-H3C(O)CH3
  122775.9966  0.2078 -6.2678 3 1286.0247A96  595161404684127 0    684028 0      C-13-H3C(O)CH3
  122789.8572  0.0035 -4.8046 3   71.4936296 -59516140418 514 2    18 415 2      C-13-H3C(O)CH3
  122789.8572  0.0035 -4.8046 3   71.4936296 -59516140418 414 2    18 315 2      C-13-H3C(O)CH3
  122794.0958  0.0035 -4.8048 3   71.4942296 -59516140418 514 1    18 415 1      C-13-H3C(O)CH3
  122794.0958  0.0035 -4.8048 3   71.4942296 -59516140418 414 1    18 315 1      C-13-H3C(O)CH3
  122795.7711  0.0063 -7.0742 3   22.0532152  595161404 9 7 3 2     9 4 6 2      C-13-H3C(O)CH3
  122804.8277  0.0155 -5.1650 3  374.0677292  595161404362511 3    362412 3      C-13-H3C(O)CH3
  122806.8528  0.0100 -6.9143 3   59.7907116  5951614041412 3 4    1313 1 4      C-13-H3C(O)CH3
  122818.2250  0.0074 -4.9147 3  494.4905680 -595161404422617 2    422518 2      C-13-H3C(O)CH3
  122818.2250  0.0039 -4.6873 3  316.8037552 -595161404341816 2    341717 2      C-13-H3C(O)CH3
  122832.5104  0.1982 -6.2671 3 1286.0064A96  595161404684127 1    684028 1      C-13-H3C(O)CH3
  122837.3921  0.1141 -6.5679 3 1286.0025548  595161404684127 3    684028 3      C-13-H3C(O)CH3
  122839.2253  0.0076 -4.9715 3  170.2112376 -5951614042321 2 2    2320 3 2      C-13-H3C(O)CH3
  122841.0084  0.1099 -6.5679 3 1286.0025548  595161404684127 4    684028 4      C-13-H3C(O)CH3
  122841.0641  0.0084 -4.9711 3  170.1586376 -5951614042321 3 2    2320 4 2      C-13-H3C(O)CH3
  122842.2937  0.0033 -4.6872 3  316.8307552 -595161404341816 0    341717 0      C-13-H3C(O)CH3
  122854.5345  0.0046 -4.9881 3  316.7814276 -595161404341816 3    341717 3      C-13-H3C(O)CH3
  122856.1274  0.0044 -4.9881 3  316.7814276 -595161404341816 4    341717 4      C-13-H3C(O)CH3
  122878.5801  0.0039 -4.6870 3  316.8085552 -595161404341816 1    341717 1      C-13-H3C(O)CH3
  122878.7369  0.0062 -5.2154 3  494.4719340  595161404422617 4    422518 4      C-13-H3C(O)CH3
  122900.3522  0.0068 -5.2151 3  494.4722340  595161404422617 3    422518 3      C-13-H3C(O)CH3
  122903.4772  0.0170 -5.1815 3  374.0688292  595161404362511 4    362412 4      C-13-H3C(O)CH3
  122915.3038  0.0073 -6.0586 3   39.3025200  59516140412 8 5 1    11 9 2 1      C-13-H3C(O)CH3
  122922.0799  0.0082 -4.9707 3  170.1455376  5951614042321 3 1    2320 4 1      C-13-H3C(O)CH3
  122923.2719  0.0071 -6.0447 3   39.3023200  59516140412 8 5 2    11 9 2 2      C-13-H3C(O)CH3
  122938.2634  0.0143 -4.8751 3  374.0903584 -595161404362511 2    362412 2      C-13-H3C(O)CH3
  122956.3851  0.1364 -5.8778 3 1069.2574A00  595161404623725 0    623626 0      C-13-H3C(O)CH3
  122971.4283  0.0033 -4.8030 3   71.4465296 -59516140418 514 0    18 415 0      C-13-H3C(O)CH3
  122971.4283  0.0033 -4.8030 3   71.4465296 -59516140418 414 0    18 315 0      C-13-H3C(O)CH3
  122982.4620  0.0034 -5.1998 3   60.6653140  59516140417 314 3    17 215 3      C-13-H3C(O)CH3
  122982.4621  0.0034 -5.1998 3   60.6653140  59516140417 414 3    17 315 3      C-13-H3C(O)CH3
  122982.6086  0.0041 -5.1998 3   60.6653140  59516140417 314 4    17 215 4      C-13-H3C(O)CH3
  122982.6087  0.0041 -5.1998 3   60.6653140  59516140417 414 4    17 315 4      C-13-H3C(O)CH3
  122990.0694  0.2705 -5.8344 3 1041.5467984  595161404613823 0    613724 0      C-13-H3C(O)CH3
  123091.2221  0.0086 -4.9702 3  170.2160376  5951614042321 2 0    2320 3 0      C-13-H3C(O)CH3
  123091.2444  0.0086 -4.9702 3  170.2160376  5951614042321 3 0    2320 4 0      C-13-H3C(O)CH3
  123119.8308  0.0053 -4.8421 3  445.6519648 -595161404402417 0    402318 0      C-13-H3C(O)CH3
  123168.1882  0.0052 -4.8418 3  445.6304648 -595161404402417 1    402318 1      C-13-H3C(O)CH3
  123177.8887  0.0041 -4.8968 3   60.6094280 -59516140417 414 2    17 315 2      C-13-H3C(O)CH3
  123177.8887  0.0041 -4.8968 3   60.6094280 -59516140417 314 2    17 215 2      C-13-H3C(O)CH3
  123180.7142  0.0041 -4.8970 3   60.6100280 -59516140417 414 1    17 315 1      C-13-H3C(O)CH3
  123180.7142  0.0041 -4.8970 3   60.6100280 -59516140417 314 1    17 215 1      C-13-H3C(O)CH3
  123183.4033  0.0050 -4.8416 3  445.6250648 -595161404402417 2    402318 2      C-13-H3C(O)CH3
  123228.4366  0.0065 -6.9901 3  257.8581520  595161404321220 1    311517 1      C-13-H3C(O)CH3
  123228.7356  0.0044 -5.1423 3  445.6035324  595161404402417 4    402318 4      C-13-H3C(O)CH3
  123230.4054  0.0056 -6.9867 3  257.8758520  595161404321220 0    311517 0      C-13-H3C(O)CH3
  123233.8563  0.0044 -5.1423 3  445.6036324  595161404402417 3    402318 3      C-13-H3C(O)CH3
  123236.2115  0.0065 -6.9900 3  257.8578520  595161404321320 1    311417 1      C-13-H3C(O)CH3
  123238.1523  0.0034 -6.2557 3   43.7951108  59516140413 7 7 4    12 8 4 4      C-13-H3C(O)CH3
  123238.2837  0.0056 -6.9867 3  257.8756520  595161404321320 0    311417 0      C-13-H3C(O)CH3
  123265.2378  0.0065 -7.2915 3  257.8369260  595161404321220 4    311517 4      C-13-H3C(O)CH3
  123265.3042  0.0062 -7.2915 3  257.8369260  595161404321220 3    311517 3      C-13-H3C(O)CH3
  123267.3240  0.0064 -6.9871 3  257.8547520  595161404321220 2    311517 2      C-13-H3C(O)CH3
  123273.2118  0.0065 -7.2914 3  257.8366260  595161404321320 4    311417 4      C-13-H3C(O)CH3
  123273.3082  0.0062 -7.2914 3  257.8366260  595161404321320 3    311417 3      C-13-H3C(O)CH3
  123275.4286  0.0064 -6.9871 3  257.8544520  595161404321320 2    311417 2      C-13-H3C(O)CH3
  123291.8572  0.0038 -5.3437 3   50.3848132  59516140416 314 3    16 215 3      C-13-H3C(O)CH3
  123291.8572  0.0038 -5.3437 3   50.3848132  59516140416 214 3    16 115 3      C-13-H3C(O)CH3
  123292.0547  0.0045 -5.3437 3   50.3848132  59516140416 314 4    16 215 4      C-13-H3C(O)CH3
  123292.0547  0.0045 -5.3437 3   50.3848132  59516140416 214 4    16 115 4      C-13-H3C(O)CH3
  123375.7332  0.0040 -4.8950 3   60.5543280 -59516140417 314 0    17 215 0      C-13-H3C(O)CH3
  123375.7332  0.0040 -4.8950 3   60.5543280 -59516140417 414 0    17 315 0      C-13-H3C(O)CH3
  123377.5918  0.0047 -7.0106 3   21.9913152  595161404 9 7 3 0     9 4 6 0      C-13-H3C(O)CH3
  123396.9976  0.0120 -5.1878 3  433.9293316  595161404392614 4    392515 4      C-13-H3C(O)CH3
  123418.2887  0.0051 -6.2457 3   43.7892108  59516140413 7 7 3    12 8 4 3      C-13-H3C(O)CH3
  123422.8366  0.0038 -5.9431 3   43.7439216  59516140413 7 7 1    12 8 4 1      C-13-H3C(O)CH3
  123432.3118  0.0062 -4.8554 3  433.9487632 -595161404392614 1    392515 1      C-13-H3C(O)CH3
  123449.4460  0.0064 -4.8496 3  433.9672632 -595161404392614 0    392515 0      C-13-H3C(O)CH3
  123462.5105  0.0062 -5.0825 3  222.6035220  5951614042722 5 3    2721 6 3      C-13-H3C(O)CH3
  123470.4883  0.0044 -5.9384 3   43.7408216  59516140413 7 7 2    12 8 4 2      C-13-H3C(O)CH3
  123475.6865  0.0271 -5.9229 3  414.8846308  595161404382613 4    382513 4      C-13-H3C(O)CH3
  123501.7330  0.0094 -4.8709 3  433.9488632 -595161404392614 2    392515 2      C-13-H3C(O)CH3
  123504.6053  0.0048 -5.0406 3   50.3207264  59516140416 314 2    16 215 2      C-13-H3C(O)CH3
  123504.6053  0.0048 -5.0406 3   50.3207264  59516140416 214 2    16 115 2      C-13-H3C(O)CH3
  123506.1441  0.0048 -5.0408 3   50.3212264  59516140416 314 1    16 215 1      C-13-H3C(O)CH3
  123506.1441  0.0048 -5.0408 3   50.3212264  59516140416 214 1    16 115 1      C-13-H3C(O)CH3
  123506.9359  0.0078 -5.0826 3  222.6329220  5951614042722 5 4    2721 6 4      C-13-H3C(O)CH3
  123532.4443  0.0331 -5.1773 3  651.4066776  595161404483117 0    483018 0      C-13-H3C(O)CH3
  123547.9882  0.0043 -5.6133 3   40.7014124  59516140415 214 3    15 115 3      C-13-H3C(O)CH3
  123547.9882  0.0043 -5.6133 3   40.7014124  59516140415 114 3    15 015 3      C-13-H3C(O)CH3
  123548.2447  0.0049 -5.6132 3   40.7014124  59516140415 114 4    15 015 4      C-13-H3C(O)CH3
  123548.2447  0.0049 -5.6130 3   40.7014124  59516140415 214 4    15 115 4      C-13-H3C(O)CH3
  123565.0957  0.0021 -5.9318 3   43.6927216  59516140413 7 7 0    12 8 4 0      C-13-H3C(O)CH3
  123577.3240  0.0067 -5.0816 3  222.5676220  5951614042722 6 4    2721 7 4      C-13-H3C(O)CH3
  123595.9795  0.0102 -5.1567 3  433.9310316  595161404392614 3    392515 3      C-13-H3C(O)CH3
  123621.4211  0.0063 -5.0817 3  222.5969220  5951614042722 6 3    2721 7 3      C-13-H3C(O)CH3
  123625.4467  0.3564 -5.8312 3 1041.5364984  595161404613823 2    613724 2      C-13-H3C(O)CH3
  123626.4047  0.0068 -6.0720 3   48.8744216  5951614041310 4 0    1211 1 0      C-13-H3C(O)CH3
  123656.7817  0.0060 -4.7807 3  222.6437440 -5951614042722 5 1    2721 6 1      C-13-H3C(O)CH3
  123663.3812  0.0048 -5.7443 3   39.2345200  59516140412 8 5 0    11 9 2 0      C-13-H3C(O)CH3
  123708.7503  0.2528 -5.8307 3 1041.5332984  595161404613823 1    613724 1      C-13-H3C(O)CH3
  123718.4092  0.0047 -5.0387 3   50.2572264  59516140416 214 0    16 115 0      C-13-H3C(O)CH3
  123718.4092  0.0047 -5.0387 3   50.2572264  59516140416 314 0    16 215 0      C-13-H3C(O)CH3
  123734.9438  0.0059 -4.7801 3  222.6240440 -5951614042722 6 2    2721 7 2      C-13-H3C(O)CH3
  123742.0813  0.0214 -5.6632 3  414.9022616  595161404382613 2    382513 2      C-13-H3C(O)CH3
  123756.9227  0.0074 -7.6349 3  212.2501228  595161404281514 4    2718 9 4      C-13-H3C(O)CH3
  123769.3985  0.0059 -4.7799 3  222.6078440 -5951614042722 6 1    2721 7 1      C-13-H3C(O)CH3
  123777.5352  0.0056 -5.3099 3   40.6289248  59516140415 214 2    15 115 2      C-13-H3C(O)CH3
  123777.5352  0.0056 -5.3099 3   40.6289248  59516140415 114 2    15 015 2      C-13-H3C(O)CH3
  123777.9110  0.0056 -5.3115 3   40.6294248  59516140415 214 1    15 115 1      C-13-H3C(O)CH3
  123777.9110  0.0056 -5.3099 3   40.6294248  59516140415 114 1    15 015 1      C-13-H3C(O)CH3
  123777.9110  0.0056 -7.7350 3   40.6294248  59516140415 114 1    15 115 1      C-13-H3C(O)CH3
  123781.1684  0.0057 -4.7802 3  222.6533440 -5951614042722 5 2    2721 6 2      C-13-H3C(O)CH3
  123784.8963  0.0297 -6.3097 3  550.2834356  595161404442916 4    442816 4      C-13-H3C(O)CH3
  123790.4395  0.0105 -5.9575 3  414.8979616  595161404382613 1    382513 1      C-13-H3C(O)CH3
  123801.4942  0.0109 -5.4145 3  159.3466180  5951614042221 1 4    2220 2 4      C-13-H3C(O)CH3
  123805.4961  0.0075 -7.3166 3  212.2590456  595161404281514 2    2718 9 2      C-13-H3C(O)CH3
  123824.6748  0.0023 -4.8999 3  208.4791228 -595161404281315 3    281216 3      C-13-H3C(O)CH3
  123824.6748  0.0027 -4.8999 3  208.4792228 -595161404281315 4    281216 4      C-13-H3C(O)CH3
  123828.4581  0.0094 -5.4140 3  159.2887180  5951614042221 2 3    2220 3 3      C-13-H3C(O)CH3
  123841.0282  0.1551 -5.9961 3  968.1743476  595161404593524 3    593425 3      C-13-H3C(O)CH3
  123848.0187  0.1532 -5.9961 3  968.1745476  595161404593524 4    593425 4      C-13-H3C(O)CH3
  123848.2485  0.0023 -4.5985 3  208.4887456 -595161404281315 2    281216 2      C-13-H3C(O)CH3
  123858.8853  0.0075 -7.3111 3  212.2724456  595161404281514 0    2718 9 0      C-13-H3C(O)CH3
  123865.6730  0.0027 -4.8997 3  208.4793228 -595161404281415 4    281316 4      C-13-H3C(O)CH3
  123865.6730  0.0023 -4.8997 3  208.4793228 -595161404281415 3    281316 3      C-13-H3C(O)CH3
  123866.1704  0.0076 -7.3224 3  212.2616456  595161404281514 1    2718 9 1      C-13-H3C(O)CH3
  123872.4819  0.0023 -4.5985 3  208.4916456 -595161404281315 1    281216 1      C-13-H3C(O)CH3
  123874.5522  0.0079 -7.6224 3  212.2462228  595161404281514 3    2718 9 3      C-13-H3C(O)CH3
  123890.3188  0.0023 -4.5982 3  208.4888456 -595161404281415 2    281316 2      C-13-H3C(O)CH3
  123896.1130  0.0021 -4.5981 3  208.5012456 -595161404281315 0    281216 0      C-13-H3C(O)CH3
  123901.3685  0.0218 -6.1687 3  414.8815308  595161404382613 3    382513 3      C-13-H3C(O)CH3
  123912.9990  0.0157 -6.5488 3  550.2940712  595161404442916 1    442816 1      C-13-H3C(O)CH3
  123913.0573  0.0023 -4.5982 3  208.4917456 -595161404281415 1    281316 1      C-13-H3C(O)CH3
  123928.4116  0.0064 -4.7794 3  222.6640440  5951614042722 5 0    2721 6 0      C-13-H3C(O)CH3
  123932.2123  0.0063 -4.7793 3  222.6639440 -5951614042722 6 0    2721 7 0      C-13-H3C(O)CH3
  123937.6611  0.0021 -4.5978 3  208.5013456 -595161404281415 0    281316 0      C-13-H3C(O)CH3
  123942.1698  0.0342 -5.1788 3  651.3968776  595161404483117 1    483018 1      C-13-H3C(O)CH3
  123971.7354  0.0059 -6.0902 3   39.3137100  59516140412 8 5 3    11 9 2 3      C-13-H3C(O)CH3
  123984.4726  0.0097 -5.4133 3  159.2933180  5951614042221 1 3    2220 2 3      C-13-H3C(O)CH3
  123992.1054  0.0061 -5.4408 3   26.1067168  59516140410 6 4 0     9 7 3 0      C-13-H3C(O)CH3
  124006.8796  0.0055 -5.3076 3   40.5570248 -59516140415 114 0    15 015 0      C-13-H3C(O)CH3
  124006.8796  0.0055 -5.3078 3   40.5570248 -59516140415 214 0    15 115 0      C-13-H3C(O)CH3
  124008.2159  0.0073 -6.0809 3   48.9387216  5951614041310 3 2    1211 1 2      C-13-H3C(O)CH3
  124010.8292  0.0098 -5.4127 3  159.2355180  5951614042221 2 4    2220 3 4      C-13-H3C(O)CH3
  124012.4152  0.0243 -6.2560 3  550.2926712  595161404442916 2    442816 2      C-13-H3C(O)CH3
  124021.5647  0.0020 -5.1747 3   15.3584 68 -595161404 8 5 4 4     7 4 3 4      C-13-H3C(O)CH3
  124042.4165  0.0135 -6.8353 3   48.9233108  5951614041310 4 3    1211 1 3      C-13-H3C(O)CH3
  124049.8236  0.0072 -4.9230 3  498.6057680 -595161404422716 0    422617 0      C-13-H3C(O)CH3
  124068.2718  0.0114 -7.6323 3   25.1603152  595161404 9 9 0 0     9 6 3 0      C-13-H3C(O)CH3
  124084.6571  0.0093 -5.1120 3  159.3522360  5951614042221 1 1    2220 2 1      C-13-H3C(O)CH3
  124106.7395  0.0021 -5.1713 3   15.3571 68 -595161404 8 5 4 3     7 4 3 3      C-13-H3C(O)CH3
  124110.8474  0.0034 -4.6787 3  316.8097552 -595161404341916 2    341817 2      C-13-H3C(O)CH3
  124112.1348  0.0031 -4.6787 3  316.8365552 -595161404341916 0    341817 0      C-13-H3C(O)CH3
  124119.0669  0.0067 -4.9232 3  498.5898680 -595161404422716 1    422617 1      C-13-H3C(O)CH3
  124137.9822  0.0036 -4.9796 3  316.7874276  595161404341916 4    341817 4      C-13-H3C(O)CH3
  124138.2186  0.0035 -4.9796 3  316.7874276  595161404341916 3    341817 3      C-13-H3C(O)CH3
  124139.3655  0.0033 -4.6786 3  316.8143552 -595161404341916 1    341817 1      C-13-H3C(O)CH3
  124141.9787  0.0098 -6.3704 3   48.9990108  5951614041310 3 4    1211 1 4      C-13-H3C(O)CH3
  124142.6292  0.0087 -5.1118 3  159.3683360 -5951614042221 1 2    2220 2 2      C-13-H3C(O)CH3
  124151.1505  0.1584 -5.6939 3  968.1840952  595161404593524 2    593425 2      C-13-H3C(O)CH3
  124156.1545  0.1106 -5.6938 3  968.1821952  595161404593524 1    593425 1      C-13-H3C(O)CH3
  124164.3869  0.0076 -6.0770 3   48.9345216  5951614041310 3 1    1211 1 1      C-13-H3C(O)CH3
  124168.3973  0.0097 -5.1113 3  159.3104360  5951614042221 2 2    2220 3 2      C-13-H3C(O)CH3
  124212.6839  0.0025 -4.8702 3   15.2917136 -595161404 8 5 4 1     7 4 3 1      C-13-H3C(O)CH3
  124213.9076  0.0105 -6.5488 3   48.9176108  5951614041310 4 3    1211 2 3      C-13-H3C(O)CH3
  124222.8359  0.0091 -4.9240 3  498.5872680 -595161404422716 2    422617 2      C-13-H3C(O)CH3
  124225.8592  0.0681 -5.1806 3  651.3924776  595161404483117 2    483018 2      C-13-H3C(O)CH3
  124238.6817  0.0087 -5.2275 3  498.5707340  595161404422716 4    422617 4      C-13-H3C(O)CH3
  124261.5975  0.0027 -4.8698 3   15.2897136 -595161404 8 5 4 2     7 4 3 2      C-13-H3C(O)CH3
  124266.5784  0.0095 -5.1108 3  159.2989360  5951614042221 2 1    2220 3 1      C-13-H3C(O)CH3
  124278.1977  0.0070 -6.0665 3   48.8742216  5951614041310 3 0    1211 2 0      C-13-H3C(O)CH3
  124302.3499  0.0068 -6.0787 3   48.8631216  5951614041310 4 2    1211 2 2      C-13-H3C(O)CH3
  124310.6344  0.0284 -6.0040 3  457.8560324  595161404402714 4    402614 4      C-13-H3C(O)CH3
  124324.1135  0.3067 -6.1284 3 1041.5228492  595161404613823 3    613724 3      C-13-H3C(O)CH3
  124327.8213  0.0064 -7.0268 3   39.3018100  59516140412 8 5 3    11 9 3 3      C-13-H3C(O)CH3
  124330.0023  0.0017 -6.3945 3   11.8232 60  595161404 7 5 2 4     6 4 2 4      C-13-H3C(O)CH3
  124344.0698  0.0110 -5.2227 3  498.5717340  595161404422716 3    422617 3      C-13-H3C(O)CH3
  124355.2115  0.0052 -5.7351 3   26.2109 84  59516140410 6 4 3     9 7 3 3      C-13-H3C(O)CH3
  124358.3387  0.0019 -6.6207 3   11.7539120  595161404 7 5 2 1     6 4 2 1      C-13-H3C(O)CH3
  124361.9342  0.0020 -6.7110 3   11.7525120  595161404 7 5 2 2     6 4 2 2      C-13-H3C(O)CH3
  124367.5039  0.3337 -6.1288 3 1041.5236492  595161404613823 4    613724 4      C-13-H3C(O)CH3
  124397.0460  0.0070 -6.0759 3   48.8532216  5951614041310 4 1    1211 2 1      C-13-H3C(O)CH3
  124398.0270  0.0077 -4.8361 3  414.9168616  595161404382612 0    382513 0      C-13-H3C(O)CH3
  124409.3386  0.0028 -4.8680 3   15.2238136 -595161404 8 5 4 0     7 4 3 0      C-13-H3C(O)CH3
  124418.6379  0.0075 -5.5039 3   26.1492168  59516140410 6 4 2     9 7 3 2      C-13-H3C(O)CH3
  124421.2755  0.0112 -4.8703 3  414.8979616  595161404382612 1    382513 1      C-13-H3C(O)CH3
  124426.7708  0.0098 -5.1103 3  159.3739360  5951614042221 1 0    2220 2 0      C-13-H3C(O)CH3
  124426.7726  0.0098 -5.1103 3  159.3739360  5951614042221 2 0    2220 3 0      C-13-H3C(O)CH3
  124433.9917  0.0305 -7.3336 3  550.2794356  595161404442916 3    442816 3      C-13-H3C(O)CH3
  124456.4445  0.0064 -6.9287 3  124.5195180  595161404221013 4    211110 4      C-13-H3C(O)CH3
  124462.4431  0.0049 -6.6260 3  124.5091360  595161404221013 1    211110 1      C-13-H3C(O)CH3
  124462.5819  0.0080 -4.9453 3  519.7927696 -595161404432717 0    432618 0      C-13-H3C(O)CH3
  124464.9968  0.0289 -6.1271 3  502.9873340  595161404422815 4    422715 4      C-13-H3C(O)CH3
  124468.3622  0.0050 -6.9287 3  124.5190180  595161404221013 3    211110 3      C-13-H3C(O)CH3
  124469.2299  0.1141 -5.6926 3  968.1915952  595161404593524 0    593425 0      C-13-H3C(O)CH3
  124475.3260  0.0627 -5.4735 3  651.3813388  595161404483117 3    483018 3      C-13-H3C(O)CH3
  124482.6989  0.0130 -5.1711 3  373.9889292  595161404362512 4    362413 4      C-13-H3C(O)CH3
  124550.6960  0.0073 -4.9449 3  519.7765696 -595161404432717 1    432618 1      C-13-H3C(O)CH3
  124577.6006  0.0045 -6.6204 3  124.4928360  595161404221013 0    211110 0      C-13-H3C(O)CH3
  124577.6881  0.0139 -5.1531 3  373.9902292  595161404362512 3    362413 3      C-13-H3C(O)CH3
  124578.6834  0.0049 -6.6221 3  124.5029360  595161404221013 2    211110 2      C-13-H3C(O)CH3
  124578.7531  0.0066 -4.8056 3  374.0090584 -595161404362512 1    362413 1      C-13-H3C(O)CH3
  124598.9627  0.0115 -4.8641 3  374.0122584 -595161404362512 2    362413 2      C-13-H3C(O)CH3
  124599.8301  0.0174 -5.1785 3  414.8815308  595161404382612 3    382513 3      C-13-H3C(O)CH3
  124623.5308  0.0068 -5.5108 3   26.1458168  59516140410 6 4 1     9 7 3 1      C-13-H3C(O)CH3
  124626.6938  0.0215 -5.7916 3  457.8700648  595161404402714 2    402614 2      C-13-H3C(O)CH3
  124636.2555  0.0094 -4.9446 3  519.7726696 -595161404432717 2    432618 2      C-13-H3C(O)CH3
  124639.9524  0.0120 -6.0624 3  457.8675648  595161404402714 1    402614 1      C-13-H3C(O)CH3
  124663.7395  0.0060 -4.7861 3  374.0315584 -595161404362512 0    362413 0      C-13-H3C(O)CH3
  124699.2889  0.0067 -6.1953 3   63.1958124  5951614041510 5 3    15 7 8 3      C-13-H3C(O)CH3
  124700.4475  0.0080 -5.2457 3  519.7561348  595161404432717 4    432618 4      C-13-H3C(O)CH3
  124718.8064  0.1467 -7.5835 3  851.0014444  595161404553521 4    553421 4      C-13-H3C(O)CH3
  124730.1297  0.0133 -6.2704 3  502.9980680  595161404422815 1    422715 1      C-13-H3C(O)CH3
  124746.2544  0.0097 -5.2447 3  519.7566348  595161404432717 3    432618 3      C-13-H3C(O)CH3
  124753.7985  0.0173 -4.9047 3  414.9022616  595161404382612 2    382513 2      C-13-H3C(O)CH3
  124755.6673  0.0322 -7.5026 3  268.3581244  5951614043023 8 3    3022 8 3      C-13-H3C(O)CH3
  124759.8061  0.0098 -6.5436 3   48.9233108  5951614041310 3 3    1211 1 3      C-13-H3C(O)CH3
  124763.8189  0.0311 -6.1672 3  318.8187268  595161404332410 3    332310 3      C-13-H3C(O)CH3
  124768.9516  0.0780 -5.4897 3  651.3842388  595161404483117 4    483018 4      C-13-H3C(O)CH3
  124769.8510  0.0214 -5.9874 3  502.9985680  595161404422815 2    422715 2      C-13-H3C(O)CH3
  124781.1727  0.0046 -4.8013 3  422.0503632 -595161404392317 0    392218 0      C-13-H3C(O)CH3
  124809.6052  0.0046 -6.7197 3  160.0276408  595161404251015 1    241312 1      C-13-H3C(O)CH3
  124818.6550  0.0046 -4.8010 3  422.0225632 -595161404392317 2    392218 2      C-13-H3C(O)CH3
  124823.2754  0.0046 -4.8010 3  422.0278632 -595161404392317 1    392218 1      C-13-H3C(O)CH3
  124825.2103  0.0080 -6.3658 3   48.8420108  5951614041310 4 4    1211 2 4      C-13-H3C(O)CH3
  124828.9658  0.0042 -6.7153 3  160.0254408  595161404251015 0    241312 0      C-13-H3C(O)CH3
  124833.4045  0.0054 -5.8902 3   63.1559248  5951614041510 5 2    15 7 8 2      C-13-H3C(O)CH3
  124835.6409  0.0271 -7.1210 3  268.3915488  5951614043023 8 2    3022 8 2      C-13-H3C(O)CH3
  124837.2305  0.0198 -5.2130 3  414.8846308  595161404382612 4    382513 4      C-13-H3C(O)CH3
  124837.4981  0.0075 -6.0423 3   39.2385200  59516140412 8 5 2    11 9 3 2      C-13-H3C(O)CH3
  124843.3970  0.0044 -7.0219 3  160.0257204  595161404251015 3    241312 3      C-13-H3C(O)CH3
  124843.7652  0.0052 -7.0219 3  160.0257204  595161404251015 4    241312 4      C-13-H3C(O)CH3
  124859.2482  0.0044 -5.1017 3  421.9999316  595161404392317 4    392218 4      C-13-H3C(O)CH3
  124861.8275  0.0043 -5.1017 3  421.9999316  595161404392317 3    392218 3      C-13-H3C(O)CH3
  124863.0943  0.0046 -6.7164 3  160.0235408  595161404251015 2    241312 2      C-13-H3C(O)CH3
  124871.5150  0.0047 -5.8935 3   63.1586248  5951614041510 5 1    15 7 8 1      C-13-H3C(O)CH3
  124895.1631  0.0031 -5.8837 3   63.1187248  5951614041510 5 0    15 7 8 0      C-13-H3C(O)CH3
  124904.4668  0.0120 -5.6813 3  149.0105172  5951614042121 0 4    2120 1 4      C-13-H3C(O)CH3
  124905.3845  0.0206 -6.4865 3  457.8518324  595161404402714 3    402614 3      C-13-H3C(O)CH3
  124905.6749  0.0088 -6.1508 3  374.0090584  595161404362511 1    362413 1      C-13-H3C(O)CH3
  124913.8295  0.0167 -5.5844 3  318.8357536  595161404332410 1    332310 1      C-13-H3C(O)CH3
  124917.6538  0.0048 -6.2063 3   63.1960124  5951614041510 5 4    15 7 8 4      C-13-H3C(O)CH3
  124931.2972  0.0147 -6.8284 3   48.9176108  5951614041310 3 3    1211 2 3      C-13-H3C(O)CH3
  124945.9385  0.0062 -5.0454 3  268.3581244  5951614043023 7 3    3022 8 3      C-13-H3C(O)CH3
  124955.3761  0.0104 -5.6807 3  148.9478172  5951614042121 1 3    2120 2 3      C-13-H3C(O)CH3
  124992.7744  0.0226 -5.6574 3  318.8149268  595161404332410 4    332310 4      C-13-H3C(O)CH3
  125006.4344  0.0058 -6.0591 3   72.6856132  5951614041611 5 3    16 8 8 3      C-13-H3C(O)CH3
  125016.1555  0.0074 -5.0440 3  268.3692244  5951614043023 7 4    3022 8 4      C-13-H3C(O)CH3
  125018.4226  0.0131 -6.8240 3   57.5106116  5951614041411 4 4    14 8 6 4      C-13-H3C(O)CH3
  125032.9851  0.0065 -5.0434 3  268.3354244  5951614043023 8 4    3022 9 4      C-13-H3C(O)CH3
  125037.8929  0.0065 -6.0273 3   39.2317200  59516140412 8 5 1    11 9 3 1      C-13-H3C(O)CH3
  125084.8709  0.0057 -4.7428 3  268.3860488 -5951614043023 7 1    3022 8 1      C-13-H3C(O)CH3
  125085.6408  0.0213 -5.0889 3  599.7696744  595161404463016 0    462917 0      C-13-H3C(O)CH3
  125098.2788  0.0215 -5.6058 3  318.8436536  595161404332410 2    332310 2      C-13-H3C(O)CH3
  125101.1086  0.0149 -5.1740 3  318.8149268  5951614043324 9 4    332310 4      C-13-H3C(O)CH3
  125102.1624  0.0063 -5.0446 3  268.3465244  5951614043023 8 3    3022 9 3      C-13-H3C(O)CH3
  125104.4041  0.0086 -5.0850 3  318.8187268  5951614043324 9 3    332310 3      C-13-H3C(O)CH3
  125107.8995  0.0108 -5.6800 3  148.9554172  5951614042121 0 3    2120 1 3      C-13-H3C(O)CH3
  125127.4292  0.0240 -5.9377 3  373.9902292  595161404362511 3    362413 3      C-13-H3C(O)CH3
  125130.4505  0.0225 -6.8842 3  502.9830340  595161404422815 3    422715 3      C-13-H3C(O)CH3
  125136.1389  0.0072 -4.8182 3  318.8357536 -5951614043324 9 1    332310 1      C-13-H3C(O)CH3
  125158.1165  0.0109 -5.6794 3  148.8928172  5951614042121 1 4    2120 2 4      C-13-H3C(O)CH3
  125168.4070  0.0056 -4.7421 3  268.3634488 -5951614043023 8 1    3022 9 1      C-13-H3C(O)CH3
  125171.1693  0.0058 -4.7436 3  268.3803488 -5951614043023 8 2    3022 9 2      C-13-H3C(O)CH3
  125191.9570  0.0022 -4.8896 3  191.7224220 -595161404271215 3    271116 3      C-13-H3C(O)CH3
  125191.9570  0.0027 -4.8896 3  191.7224220 -595161404271215 4    271116 4      C-13-H3C(O)CH3
  125193.7718  0.3621 -6.4681 3 1401.7005B44  595161404714328 0    714229 0      C-13-H3C(O)CH3
  125205.6893  0.0022 -4.8895 3  191.7224220 -595161404271315 3    271216 3      C-13-H3C(O)CH3
  125205.6893  0.0027 -4.8895 3  191.7224220 -595161404271315 4    271216 4      C-13-H3C(O)CH3
  125217.1099  0.0107 -5.3787 3  149.0173344  5951614042121 0 1    2120 1 1      C-13-H3C(O)CH3
  125223.3791  0.0101 -4.8140 3  318.8436536 -5951614043324 9 2    332310 2      C-13-H3C(O)CH3
  125224.3737  0.0058 -4.7490 3  318.8619536  5951614043324 9 0    332310 0      C-13-H3C(O)CH3
  125232.1200  0.0022 -4.5880 3  191.7280440 -595161404271215 2    271116 2      C-13-H3C(O)CH3
  125238.9776  0.0056 -4.7435 3  268.3915488 -5951614043023 7 2    3022 8 2      C-13-H3C(O)CH3
  125242.5425  0.0087 -6.7175 3  433.9487632  595161404392613 1    392515 1      C-13-H3C(O)CH3
  125246.2183  0.0022 -4.5879 3  191.7281440 -595161404271315 2    271216 2      C-13-H3C(O)CH3
  125252.4619  0.0022 -4.5880 3  191.7305440 -595161404271215 1    271116 1      C-13-H3C(O)CH3
  125256.6038  0.0099 -5.3786 3  149.0346344  5951614042121 0 2    2120 1 2      C-13-H3C(O)CH3
  125266.0224  0.0022 -4.5879 3  191.7306440 -595161404271315 1    271216 1      C-13-H3C(O)CH3
  125269.3239  0.3163 -6.4676 3 1401.6983B44  595161404714328 2    714229 2      C-13-H3C(O)CH3
  125279.4567  0.0235 -5.5690 3  374.0122584  595161404362511 2    362413 2      C-13-H3C(O)CH3
  125286.8397  0.0058 -4.7414 3  268.4088488  5951614043023 7 0    3022 8 0      C-13-H3C(O)CH3
  125288.8507  0.0135 -5.1659 3  465.3115332  595161404412318 3    412219 3      C-13-H3C(O)CH3
  125292.4337  0.0324 -7.4986 3  268.3465244  5951614043023 7 3    3022 9 3      C-13-H3C(O)CH3
  125292.5835  0.0021 -4.5874 3  191.7362440 -595161404271215 0    271116 0      C-13-H3C(O)CH3
  125292.6711  0.0133 -5.1659 3  465.3115332  595161404412318 4    412219 4      C-13-H3C(O)CH3
  125292.9938  0.0124 -4.8649 3  465.3336664 -595161404412318 2    412219 2      C-13-H3C(O)CH3
  125297.0495  0.0294 -5.8433 3  373.9889292  595161404362511 4    362413 4      C-13-H3C(O)CH3
  125306.4950  0.0021 -4.5874 3  191.7362440 -595161404271315 0    271216 0      C-13-H3C(O)CH3
  125306.5578  0.0111 -5.3779 3  148.9718344  5951614042121 1 2    2120 2 2      C-13-H3C(O)CH3
  125325.5763  0.0041 -5.7683 3   72.6533264  5951614041611 5 1    16 8 8 1      C-13-H3C(O)CH3
  125329.3847  0.0058 -4.7411 3  268.4073488 -5951614043023 8 0    3022 9 0      C-13-H3C(O)CH3
  125355.1089  0.0048 -5.7638 3   72.6494264  5951614041611 5 2    16 8 8 2      C-13-H3C(O)CH3
  125371.0506  0.0084 -5.0834 3  318.7984268  595161404332410 3    332311 3      C-13-H3C(O)CH3
  125376.4409  0.0166 -5.1718 3  318.8021268  595161404332410 4    332311 4      C-13-H3C(O)CH3
  125377.3704  0.0073 -4.8164 3  318.8202536 -595161404332410 1    332311 1      C-13-H3C(O)CH3
  125379.7349  0.0025 -7.2573 3   25.2832 84  59516140410 5 5 4     9 6 3 4      C-13-H3C(O)CH3
  125404.1778  0.0076 -5.8772 3   26.1776 84  59516140410 6 4 4     9 7 3 4      C-13-H3C(O)CH3
  125406.0823  0.0132 -6.9381 3  433.9310316  595161404392613 3    392515 3      C-13-H3C(O)CH3
  125408.5024  0.0079 -4.8643 3  465.3394664  595161404412318 1    412219 1      C-13-H3C(O)CH3
  125411.7828  0.0073 -4.8644 3  465.3614664  595161404412318 0    412219 0      C-13-H3C(O)CH3
  125414.5139  0.0240 -5.0943 3  599.7595744  595161404463016 1    462917 1      C-13-H3C(O)CH3
  125419.3919  0.0029 -5.7512 3   72.6170264  5951614041611 5 0    16 8 8 0      C-13-H3C(O)CH3
  125419.8301  0.0108 -5.3774 3  148.9622344  5951614042121 1 1    2120 2 1      C-13-H3C(O)CH3
  125429.3902  0.3351 -6.4666 3 1401.6791B44  595161404714328 1    714229 1      C-13-H3C(O)CH3
  125430.2518  0.0048 -7.1209 3    5.3967 44  595161404 5 5 1 4     4 2 2 4      C-13-H3C(O)CH3
  125474.7101  0.0069 -5.1190 3  209.7228212  5951614042622 5 3    2621 5 3      C-13-H3C(O)CH3
  125478.2941  0.0048 -6.0973 3   72.6861132  5951614041611 5 4    16 8 8 4      C-13-H3C(O)CH3
  125484.7751  0.0204 -5.6547 3  318.8021268  5951614043324 9 4    332311 4      C-13-H3C(O)CH3
  125487.8873  0.0051 -7.5973 3   25.2195168  59516140410 5 5 2     9 6 3 2      C-13-H3C(O)CH3
  125489.3083  0.1241 -5.8213 3  872.0083452  595161404563323 3    563224 3      C-13-H3C(O)CH3
  125496.1516  0.1228 -5.8212 3  872.0085452  595161404563323 4    563224 4      C-13-H3C(O)CH3
  125497.0559  0.0085 -5.1193 3  209.7587212  5951614042622 4 4    2621 5 4      C-13-H3C(O)CH3
  125500.4453  0.0041 -7.4906 3   25.2218168  59516140410 5 5 1     9 6 3 1      C-13-H3C(O)CH3
  125508.9880  0.2063 -6.7672 3 1401.6769572  595161404714328 3    714229 3      C-13-H3C(O)CH3
  125510.1294  0.2095 -6.7672 3 1401.6769572  595161404714328 4    714229 4      C-13-H3C(O)CH3
  125516.5803  0.0176 -6.1541 3  433.9488632  595161404392613 2    392515 2      C-13-H3C(O)CH3
  125524.4937  0.0092 -4.8122 3  318.8294536 -595161404332410 2    332311 2      C-13-H3C(O)CH3
  125555.1259  0.0091 -4.8835 3  457.8834648  595161404402713 0    402614 0      C-13-H3C(O)CH3
  125560.6262  0.0057 -4.7468 3  318.8495536 -595161404332410 0    332311 0      C-13-H3C(O)CH3
  125570.6569  0.0111 -5.3770 3  149.0413344  5951614042121 0 0    2120 1 0      C-13-H3C(O)CH3
  125570.6570  0.0111 -5.3770 3  149.0413344  5951614042121 1 0    2120 2 0      C-13-H3C(O)CH3
  125574.5815  0.0264 -7.1164 3  268.3803488  5951614043023 7 2    3022 9 2      C-13-H3C(O)CH3
  125599.7063  0.0158 -5.5800 3  318.8202536  5951614043324 9 1    332311 1      C-13-H3C(O)CH3
  125600.9297  0.0126 -7.6445 3  198.9855220  595161404271513 4    2618 8 4      C-13-H3C(O)CH3
  125610.1001  0.2133 -5.7076 3  975.8814952  595161404593722 0    593623 0      C-13-H3C(O)CH3
  125614.6414  0.0074 -5.1180 3  209.6838212  5951614042622 5 4    2621 6 4      C-13-H3C(O)CH3
  125637.1323  0.0071 -5.1183 3  209.7196212  5951614042622 4 3    2621 6 3      C-13-H3C(O)CH3
  125648.9992  0.0047 -6.7133 3  159.9997408  595161404251115 1    241212 1      C-13-H3C(O)CH3
  125649.6934  0.0229 -5.6015 3  318.8294536  5951614043324 9 2    332311 2      C-13-H3C(O)CH3
  125660.6589  0.0132 -4.9129 3  457.8675648  595161404402713 1    402614 1      C-13-H3C(O)CH3
  125679.0787  0.0056 -7.0155 3  159.9979204  595161404251115 4    241212 4      C-13-H3C(O)CH3
  125682.1998  0.0046 -7.0155 3  159.9978204  595161404251115 3    241212 3      C-13-H3C(O)CH3
  125685.7497  0.0067 -4.8173 3  209.7692424 -5951614042622 4 1    2621 5 1      C-13-H3C(O)CH3
  125692.6834  0.0043 -6.7087 3  159.9967408  595161404251115 0    241212 0      C-13-H3C(O)CH3
  125707.1371  0.0255 -6.2276 3  433.9293316  595161404392613 4    392515 4      C-13-H3C(O)CH3
  125711.6359  0.0317 -6.1605 3  318.7984268  5951614043324 9 3    332311 3      C-13-H3C(O)CH3
  125715.5800  0.0033 -4.6514 3  296.5940536 -595161404331716 2    331617 2      C-13-H3C(O)CH3
  125724.9558  0.0047 -6.7098 3  159.9948408  595161404251115 2    241212 2      C-13-H3C(O)CH3
  125730.5886  0.0490 -5.0995 3  599.7564744  595161404463016 2    462917 2      C-13-H3C(O)CH3
  125735.0184  0.0029 -4.6513 3  296.6195536 -595161404331716 0    331617 0      C-13-H3C(O)CH3
  125740.5233  0.0037 -4.9524 3  296.5727268  595161404331716 3    331617 3      C-13-H3C(O)CH3
  125741.4366  0.0037 -4.9524 3  296.5727268  595161404331716 4    331617 4      C-13-H3C(O)CH3
  125756.9942  0.0088 -7.2579 3  198.9879440  595161404271513 2    2618 8 2      C-13-H3C(O)CH3
  125759.9021  0.0033 -4.6512 3  296.5983536 -595161404331716 1    331617 1      C-13-H3C(O)CH3
  125765.4031  0.0067 -4.8166 3  209.7455424 -5951614042622 5 2    2621 6 2      C-13-H3C(O)CH3
  125772.9990  0.0039 -6.9728 3   37.6394200  59516140412 7 6 2    11 8 4 2      C-13-H3C(O)CH3
  125789.4157  0.0063 -4.8168 3  209.7813424 -5951614042622 4 2    2621 5 2      C-13-H3C(O)CH3
  125814.7617  0.1271 -5.5189 3  872.0173904  595161404563323 2    563224 2      C-13-H3C(O)CH3
  125824.1426  0.0067 -4.8163 3  209.7302424 -5951614042622 5 1    2621 6 1      C-13-H3C(O)CH3
  125832.9875  0.0074 -7.2227 3  198.9980440  595161404271513 0    2618 8 0      C-13-H3C(O)CH3
  125852.2747  0.0446 -5.3871 3  599.7447372  595161404463016 3    462917 3      C-13-H3C(O)CH3
  125855.3694  0.0817 -5.5187 3  872.0182904  595161404563323 1    563224 1      C-13-H3C(O)CH3
  125867.0045  0.0196 -5.2050 3  457.8518324  595161404402713 3    402614 3      C-13-H3C(O)CH3
  125869.6387  0.0094 -7.2889 3  198.9891440  595161404271513 1    2618 8 1      C-13-H3C(O)CH3
  125883.1290  0.0036 -6.8861 3   37.6370200  59516140412 7 6 1    11 8 4 1      C-13-H3C(O)CH3
  125948.5408  0.0146 -5.0101 3  550.3053712  595161404442915 0    442816 0      C-13-H3C(O)CH3
  125975.8463  0.0068 -6.2478 3   39.2407100  59516140412 8 5 4    11 9 3 4      C-13-H3C(O)CH3
  125977.7001  0.0071 -4.8158 3  209.7918424  5951614042622 4 0    2621 5 0      C-13-H3C(O)CH3
  125978.3053  0.0071 -4.8158 3  209.7917424 -5951614042622 5 0    2621 6 0      C-13-H3C(O)CH3
  126009.3485  0.0214 -4.9389 3  457.8700648  595161404402713 2    402614 2      C-13-H3C(O)CH3
  126086.4057  0.0061 -7.5660 3  453.6617648  595161404402614 1    402516 1      C-13-H3C(O)CH3
  126094.1407  0.0111 -4.9415 3  503.0112680  595161404422814 0    422715 0      C-13-H3C(O)CH3
  126110.4051  0.0088 -7.5399 3  198.9685220  595161404271513 3    2618 8 3      C-13-H3C(O)CH3
  126181.3091  0.0854 -5.5173 3  872.0269904  595161404563323 0    563224 0      C-13-H3C(O)CH3
  126182.3746  0.0013 -4.8743 3   22.1161 84 -59516140410 3 7 3     9 4 6 3      C-13-H3C(O)CH3
  126183.5816  0.0013 -4.8743 3   22.1160 84 -59516140410 3 7 4     9 4 6 4      C-13-H3C(O)CH3
  126201.2116  0.0184 -5.0216 3  550.2940712  595161404442915 1    442816 1      C-13-H3C(O)CH3
  126212.1451  0.0248 -5.2531 3  457.8560324  595161404402713 4    402614 4      C-13-H3C(O)CH3
  126214.6771  0.0582 -5.4149 3  599.7482372  595161404463016 4    462917 4      C-13-H3C(O)CH3
  126225.5148  0.0097 -6.9747 3  453.6595648  595161404402614 2    402516 2      C-13-H3C(O)CH3
  126230.5555  0.0058 -7.5805 3  430.0738632  595161404392514 2    392416 2      C-13-H3C(O)CH3
  126234.5141  0.0015 -4.5732 3   22.0532168 -59516140410 3 7 2     9 4 6 2      C-13-H3C(O)CH3
  126234.7641  0.0015 -4.5730 3   22.0540168 -59516140410 3 7 1     9 4 6 1      C-13-H3C(O)CH3
  126269.7058  0.0031 -4.6478 3  296.5962536 -595161404331816 2    331717 2      C-13-H3C(O)CH3
  126273.2410  0.0145 -7.5889 3   48.8631216  5951614041310 3 2    1211 2 2      C-13-H3C(O)CH3
  126274.1871  0.0153 -4.9616 3  502.9980680  595161404422814 1    422715 1      C-13-H3C(O)CH3
  126279.0338  0.0028 -4.6477 3  296.6217536 -595161404331816 0    331717 0      C-13-H3C(O)CH3
  126286.1930  0.0015 -4.5730 3   21.9913168 -59516140410 3 7 0     9 4 6 0      C-13-H3C(O)CH3
  126289.5789  0.0034 -4.9488 3  296.5749268  595161404331816 4    331717 4      C-13-H3C(O)CH3
  126289.6202  0.0033 -4.9488 3  296.5749268  595161404331816 3    331717 3      C-13-H3C(O)CH3
  126298.8834  0.0031 -4.6477 3  296.6004536 -595161404331816 1    331717 1      C-13-H3C(O)CH3
  126308.2790  0.0071 -4.8905 3  477.8894664 -595161404412715 0    412616 0      C-13-H3C(O)CH3
  126311.0321  0.0069 -7.5746 3  430.0539316  595161404392514 4    392416 4      C-13-H3C(O)CH3
  126316.3719  0.2961 -5.7043 3  975.8716952  595161404593722 2    593623 2      C-13-H3C(O)CH3
  126321.4942  0.0119 -5.2186 3  477.8557332  595161404412715 4    412616 4      C-13-H3C(O)CH3
  126328.6666  0.0067 -4.8950 3  477.8734664 -595161404412715 1    412616 1      C-13-H3C(O)CH3
  126331.1494  0.2011 -5.7042 3  975.8709952  595161404593722 1    593623 1      C-13-H3C(O)CH3
  126350.0982  0.0063 -6.8102 3    5.3239 88  595161404 5 5 1 1     4 2 2 1      C-13-H3C(O)CH3
  126352.8539  0.0013 -4.8728 3   22.1113 84 -59516140410 4 7 4     9 3 6 4      C-13-H3C(O)CH3
  126354.1135  0.0013 -4.8728 3   22.1113 84 -59516140410 4 7 3     9 3 6 3      C-13-H3C(O)CH3
  126363.3412  0.0143 -6.9456 3  453.6409324  595161404402614 4    402516 4      C-13-H3C(O)CH3
  126368.8879  0.0021 -4.8842 3  175.5420212 -595161404261115 3    261016 3      C-13-H3C(O)CH3
  126368.8879  0.0027 -4.8842 3  175.5420212 -595161404261115 4    261016 4      C-13-H3C(O)CH3
  126373.1349  0.0026 -4.8842 3  175.5420212 -595161404261215 4    261116 4      C-13-H3C(O)CH3
  126373.1349  0.0021 -4.8842 3  175.5420212 -595161404261215 3    261116 3      C-13-H3C(O)CH3
  126382.4803  0.0043 -6.7851 3   37.6676100  59516140412 7 6 4    11 8 4 4      C-13-H3C(O)CH3
  126406.6483  0.0095 -4.9035 3  477.8729664 -595161404412715 2    412616 2      C-13-H3C(O)CH3
  126408.3791  0.0015 -4.5715 3   22.0491168 -59516140410 4 7 1     9 3 6 1      C-13-H3C(O)CH3
  126411.1864  0.0015 -4.5717 3   22.0483168 -59516140410 4 7 2     9 3 6 2      C-13-H3C(O)CH3
  126426.0848  0.0021 -4.5825 3  175.5431424 -595161404261115 2    261016 2      C-13-H3C(O)CH3
  126430.6249  0.0021 -4.5825 3  175.5431424 -595161404261215 2    261116 2      C-13-H3C(O)CH3
  126443.3755  0.0021 -4.5826 3  175.5452424 -595161404261115 1    261016 1      C-13-H3C(O)CH3
  126447.5686  0.0021 -4.5826 3  175.5452424 -595161404261215 1    261116 1      C-13-H3C(O)CH3
  126465.9470  0.0015 -4.5715 3   21.9863168 -59516140410 4 7 0     9 3 6 0      C-13-H3C(O)CH3
  126483.6597  0.0113 -6.5491 3   57.4680232  5951614041411 4 1    14 8 6 1      C-13-H3C(O)CH3
  126491.8391  0.0079 -6.8094 3    5.3228 88  595161404 5 5 1 2     4 2 2 2      C-13-H3C(O)CH3
  126500.4698  0.0020 -4.5819 3  175.5463424 -595161404261115 0    261016 0      C-13-H3C(O)CH3
  126504.8515  0.0020 -4.5818 3  175.5463424 -595161404261215 0    261116 0      C-13-H3C(O)CH3
  126536.5008  0.0238 -5.2501 3  502.9830340  595161404422814 3    422715 3      C-13-H3C(O)CH3
  126540.3272  0.0358 -5.0327 3  550.2926712  595161404442915 2    442816 2      C-13-H3C(O)CH3
  126544.1671  0.0319 -5.3118 3  550.2794356  595161404442915 3    442816 3      C-13-H3C(O)CH3
  126551.9803  0.0111 -5.1931 3  477.8578332  595161404412715 3    412616 3      C-13-H3C(O)CH3
  126600.0003  0.0135 -7.6746 3   48.8532216  5951614041310 3 1    1211 2 1      C-13-H3C(O)CH3
  126614.8977  0.0078 -6.7931 3   93.2239156  59516140419 911 4    1810 8 4      C-13-H3C(O)CH3
  126621.9436  0.0096 -7.6449 3  437.3727340  595161404421527 3    411824 3      C-13-H3C(O)CH3
  126621.9520  0.0096 -7.6449 3  437.3727340  595161404421627 3    411724 3      C-13-H3C(O)CH3
  126621.9745  0.0096 -7.6448 3  437.3726340  595161404421527 4    411824 4      C-13-H3C(O)CH3
  126621.9829  0.0096 -7.6448 3  437.3726340  595161404421627 4    411724 4      C-13-H3C(O)CH3
  126625.0691  0.0271 -4.9801 3  502.9985680  595161404422814 2    422715 2      C-13-H3C(O)CH3
  126644.6864  0.0098 -7.3439 3  437.4011680  595161404421527 1    411824 1      C-13-H3C(O)CH3
  126644.6938  0.0098 -7.3439 3  437.4011680  595161404421627 1    411724 1      C-13-H3C(O)CH3
  126646.8019  0.0061 -6.7931 3   93.2228156  59516140419 911 3    1810 8 3      C-13-H3C(O)CH3
  126662.9586  0.0099 -7.3416 3  437.3991680  595161404421527 2    411824 2      C-13-H3C(O)CH3
  126662.9665  0.0099 -7.3416 3  437.3991680  595161404421627 2    411724 2      C-13-H3C(O)CH3
  126685.6150  0.0084 -7.3419 3  437.4275680  595161404421527 0    411824 0      C-13-H3C(O)CH3
  126685.6220  0.0084 -7.3419 3  437.4275680  595161404421627 0    411724 0      C-13-H3C(O)CH3
  126699.6634  0.0059 -6.4892 3   93.1992312  59516140419 911 1    1810 8 1      C-13-H3C(O)CH3
  126720.2821  0.0136 -7.6695 3  589.7887792  595161404491832 1    482029 1      C-13-H3C(O)CH3
  126720.2821  0.0136 -7.6695 3  589.7887792  595161404491732 1    481929 1      C-13-H3C(O)CH3
  126727.6273  0.0145 -7.6560 3  589.7877792  595161404491732 2    482029 2      C-13-H3C(O)CH3
  126727.6273  0.0145 -7.6560 3  589.7877792  595161404491832 2    481929 2      C-13-H3C(O)CH3
  126748.4598  0.0057 -6.9133 3    5.3959 44  595161404 5 5 1 3     4 2 2 3      C-13-H3C(O)CH3
  126865.9875  0.0061 -6.4845 3   93.1915312  59516140419 911 2    1810 8 2      C-13-H3C(O)CH3
  126908.4841  0.0122 -6.5580 3   57.4621232  5951614041411 4 2    14 8 6 2      C-13-H3C(O)CH3
  126932.7933  0.0055 -6.4817 3   93.1674312  59516140419 911 0    1810 8 0      C-13-H3C(O)CH3
  126940.2466  0.0324 -5.2996 3  502.9873340  595161404422814 4    422715 4      C-13-H3C(O)CH3
  126946.1256  0.0041 -4.7601 3  398.9968616 -595161404382217 0    382118 0      C-13-H3C(O)CH3
  126950.3676  0.0432 -5.3525 3  550.2834356  595161404442915 4    442816 4      C-13-H3C(O)CH3
  126956.3829  0.0893 -5.6583 3  780.7600428  595161404533122 3    533023 3      C-13-H3C(O)CH3
  126962.9007  0.0889 -5.6583 3  780.7601428  595161404533122 4    533023 4      C-13-H3C(O)CH3
  126966.0898  0.0044 -4.7599 3  398.9684616 -595161404382217 2    382118 2      C-13-H3C(O)CH3
  126969.2671  0.0104 -7.3835 3   57.5092116  5951614041411 4 3    14 8 6 3      C-13-H3C(O)CH3
  126984.2009  0.0042 -4.7598 3  398.9735616 -595161404382217 1    382118 1      C-13-H3C(O)CH3
  127001.2531  0.2588 -6.0013 3  975.8609476  595161404593722 3    593623 3      C-13-H3C(O)CH3
  127003.4770  0.0044 -5.0606 3  398.9450308  595161404382217 4    382118 4      C-13-H3C(O)CH3
  127004.7508  0.0043 -5.0606 3  398.9451308  595161404382217 3    382118 3      C-13-H3C(O)CH3
  127017.4460  0.0074 -7.0600 3  307.3737568  595161404351322 1    341619 1      C-13-H3C(O)CH3
  127018.7644  0.0074 -7.0600 3  307.3737568  595161404351422 1    341519 1      C-13-H3C(O)CH3
  127028.7549  0.0064 -7.0570 3  307.3966568  595161404351322 0    341619 0      C-13-H3C(O)CH3
  127030.0711  0.0064 -7.0570 3  307.3966568  595161404351422 0    341519 0      C-13-H3C(O)CH3
  127038.8702  0.0072 -7.3612 3  307.3477284  595161404351322 3    341619 3      C-13-H3C(O)CH3
  127038.8866  0.0073 -7.3612 3  307.3477284  595161404351322 4    341619 4      C-13-H3C(O)CH3
  127040.2534  0.0072 -7.3612 3  307.3476284  595161404351422 3    341519 3      C-13-H3C(O)CH3
  127040.2640  0.0073 -7.3612 3  307.3476284  595161404351422 4    341519 4      C-13-H3C(O)CH3
  127050.2507  0.0074 -7.0572 3  307.3706568  595161404351322 2    341619 2      C-13-H3C(O)CH3
  127051.6307  0.0074 -7.0572 3  307.3706568  595161404351422 2    341519 2      C-13-H3C(O)CH3
  127072.2953  0.2881 -6.0024 3  975.8620476  595161404593722 4    593623 4      C-13-H3C(O)CH3
  127094.0064  0.0220 -5.2621 3  536.7074356  595161404442519 3    442420 3      C-13-H3C(O)CH3
  127098.6564  0.0223 -5.2621 3  536.7075356  595161404442519 4    442420 4      C-13-H3C(O)CH3
  127156.1407  0.0214 -4.9608 3  536.7266712  595161404442519 2    442420 2      C-13-H3C(O)CH3
  127202.5526  0.0094 -5.1762 3  197.4132204  5951614042522 3 4    2521 4 4      C-13-H3C(O)CH3
  127204.2917  0.0078 -5.1759 3  197.3713204  5951614042522 4 3    2521 5 3      C-13-H3C(O)CH3
  127207.8400  0.0055 -4.7335 3  376.4526600 -595161404372017 2    371918 2      C-13-H3C(O)CH3
  127216.2835  0.0014 -4.7311 3   24.2258 92 -59516140411 2 9 4    10 3 8 4      C-13-H3C(O)CH3
  127216.2835  0.0014 -4.7311 3   24.2258 92 -59516140411 2 9 3    10 3 8 3      C-13-H3C(O)CH3
  127217.2829  0.0014 -4.7311 3   24.2258 92 -59516140411 3 9 3    10 2 8 3      C-13-H3C(O)CH3
  127217.2829  0.0014 -4.7311 3   24.2258 92 -59516140411 3 9 4    10 2 8 4      C-13-H3C(O)CH3
  127225.5472  0.0089 -7.4319 3   87.0916148  59516140418 9 9 4    1712 5 4      C-13-H3C(O)CH3
  127227.9169  0.0099 -6.6804 3   82.7018140  5951614041712 6 4    17 9 8 4      C-13-H3C(O)CH3
  127231.0568  0.0138 -5.1974 3  414.7594308  595161404382613 4    382514 4      C-13-H3C(O)CH3
  127242.3163  0.0064 -5.0343 3  376.4287300  595161404372017 3    371918 3      C-13-H3C(O)CH3
  127244.2463  0.0060 -5.0342 3  376.4287300  595161404372017 4    371918 4      C-13-H3C(O)CH3
  127245.1352  0.0042 -4.7333 3  376.4815600 -595161404372017 0    371918 0      C-13-H3C(O)CH3
  127245.6411  0.0914 -5.3560 3  780.7699856  595161404533122 2    533023 2      C-13-H3C(O)CH3
  127254.0241  0.0016 -4.4298 3   24.1619184 -59516140411 2 9 1    10 3 8 1      C-13-H3C(O)CH3
  127254.3493  0.0016 -4.4299 3   24.1613184 -59516140411 2 9 2    10 3 8 2      C-13-H3C(O)CH3
  127254.9949  0.0016 -4.4298 3   24.1619184 -59516140411 3 9 1    10 2 8 1      C-13-H3C(O)CH3
  127255.3515  0.0016 -4.4299 3   24.1613184 -59516140411 3 9 2    10 2 8 2      C-13-H3C(O)CH3
  127279.6081  0.0049 -4.7331 3  376.4577600 -595161404372017 1    371918 1      C-13-H3C(O)CH3
  127280.0426  0.0108 -4.9602 3  536.7323712  595161404442519 1    442420 1      C-13-H3C(O)CH3
  127291.9870  0.0016 -4.4296 3   24.0976184 -59516140411 2 9 0    10 3 8 0      C-13-H3C(O)CH3
  127293.0489  0.0016 -4.4296 3   24.0976184 -59516140411 3 9 0    10 2 8 0      C-13-H3C(O)CH3
  127318.8855  0.0052 -6.5704 3    5.2506 88  595161404 5 5 1 0     4 2 2 0      C-13-H3C(O)CH3
  127323.9016  0.0536 -5.3556 3  780.7728856  595161404533122 1    533023 1      C-13-H3C(O)CH3
  127340.4327  0.0115 -4.9600 3  536.7514712  595161404442519 0    442420 0      C-13-H3C(O)CH3
  127341.3053  0.0098 -6.5495 3   57.5092116  5951614041411 3 3    14 8 6 3      C-13-H3C(O)CH3
  127359.6997  0.0080 -4.8509 3  414.7789616 -595161404382613 1    382514 1      C-13-H3C(O)CH3
  127367.4368  0.0081 -5.1752 3  197.3714204  5951614042522 3 3    2521 4 3      C-13-H3C(O)CH3
  127368.7106  0.0083 -5.1747 3  197.3296204  5951614042522 4 4    2521 5 4      C-13-H3C(O)CH3
  127373.3913  0.0125 -4.8875 3  414.7810616 -595161404382613 2    382514 2      C-13-H3C(O)CH3
  127387.0683  0.0021 -4.8843 3  159.9409204 -595161404251015 3    25 916 3      C-13-H3C(O)CH3
  127387.0683  0.0027 -4.8843 3  159.9409204 -595161404251015 4    25 916 4      C-13-H3C(O)CH3
  127388.3249  0.0027 -4.8843 3  159.9409204 -595161404251115 4    251016 4      C-13-H3C(O)CH3
  127388.3249  0.0021 -4.8843 3  159.9409204 -595161404251115 3    251016 3      C-13-H3C(O)CH3
  127428.1043  0.0077 -4.8741 3  197.4241408 -5951614042522 3 1    2521 4 1      C-13-H3C(O)CH3
  127437.8820  0.0048 -7.5166 3   20.3027 76  595161404 9 5 4 3     9 2 7 3      C-13-H3C(O)CH3
  127441.4909  0.0067 -4.8161 3  414.7988616 -595161404382613 0    382514 0      C-13-H3C(O)CH3
  127461.9562  0.0021 -4.5825 3  159.9368408 -595161404251015 2    25 916 2      C-13-H3C(O)CH3
  127463.2368  0.0021 -4.5824 3  159.9368408 -595161404251115 2    251016 2      C-13-H3C(O)CH3
  127464.7768  0.0143 -5.1597 3  414.7626308  595161404382613 3    382514 3      C-13-H3C(O)CH3
  127476.6580  0.0021 -4.5825 3  159.9387408 -595161404251015 1    25 916 1      C-13-H3C(O)CH3
  127477.8792  0.0021 -4.5825 3  159.9387408 -595161404251115 1    251016 1      C-13-H3C(O)CH3
  127478.9178  0.0065 -7.5163 3   20.3027 76  595161404 9 5 4 4     9 2 7 4      C-13-H3C(O)CH3
  127511.1279  0.0072 -4.8738 3  197.4383408 -5951614042522 3 2    2521 4 2      C-13-H3C(O)CH3
  127511.1279  0.0077 -4.8734 3  197.3964408 -5951614042522 4 2    2521 5 2      C-13-H3C(O)CH3
  127532.9141  0.0054 -7.2077 3   20.2370152  595161404 9 5 4 2     9 2 7 2      C-13-H3C(O)CH3
  127551.3552  0.0020 -4.5817 3  159.9346408 -595161404251015 0    25 916 0      C-13-H3C(O)CH3
  127552.6301  0.0020 -4.5816 3  159.9346408 -595161404251115 0    251016 0      C-13-H3C(O)CH3
  127566.7032  0.0062 -5.0535 3  253.9377236  5951614042923 6 3    2922 7 3      C-13-H3C(O)CH3
  127567.0028  0.0061 -7.3513 3   28.1183 84  59516140410 8 3 4    10 5 6 4      C-13-H3C(O)CH3
  127591.5231  0.0076 -4.8730 3  197.3824408 -5951614042522 4 1    2521 5 1      C-13-H3C(O)CH3
  127601.9581  0.0054 -7.2103 3   20.2376152  595161404 9 5 4 1     9 2 7 1      C-13-H3C(O)CH3
  127611.5819  0.0574 -5.3544 3  780.7826856  595161404533122 0    533023 0      C-13-H3C(O)CH3
  127617.8985  0.0076 -5.0534 3  253.9557236  5951614042923 6 4    2922 7 4      C-13-H3C(O)CH3
  127628.8978  0.0059 -7.5303 3   87.0503296  59516140418 9 9 2    1712 5 2      C-13-H3C(O)CH3
  127677.1583  0.0051 -7.2026 3   20.1720152  595161404 9 5 4 0     9 2 7 0      C-13-H3C(O)CH3
  127677.5240  0.0067 -5.0525 3  253.9115236  5951614042923 7 4    2922 8 4      C-13-H3C(O)CH3
  127684.0470  0.0060 -7.4276 3   87.0526296  59516140418 9 9 1    1712 5 1      C-13-H3C(O)CH3
  127689.9239  0.0308 -5.9422 3  356.4407284  595161404352511 4    352411 4      C-13-H3C(O)CH3
  127727.8732  0.0088 -4.9703 3  545.6580712  595161404442817 0    442718 0      C-13-H3C(O)CH3
  127728.3854  0.0063 -5.0527 3  253.9295236  5951614042923 7 3    2922 8 3      C-13-H3C(O)CH3
  127730.5134  0.0059 -4.7518 3  253.9714472 -5951614042923 6 1    2922 7 1      C-13-H3C(O)CH3
  127732.2315  0.0312 -5.9754 3  356.4408284  595161404352511 3    352411 3      C-13-H3C(O)CH3
  127736.9251  0.0080 -4.8726 3  197.4491408  5951614042522 3 0    2521 4 0      C-13-H3C(O)CH3
  127736.9714  0.0080 -4.8726 3  197.4491408 -5951614042522 4 0    2521 5 0      C-13-H3C(O)CH3
  127743.5626  0.0017 -6.5157 3   11.4874 60  595161404 7 5 3 4     6 4 3 4      C-13-H3C(O)CH3
  127767.3185  0.0095 -6.1884 3   32.4981 92  59516140411 7 4 4    10 8 2 4      C-13-H3C(O)CH3
  127810.8560  0.0265 -5.6626 3  356.4659568  595161404352511 2    352411 2      C-13-H3C(O)CH3
  127811.1296  0.0059 -4.7512 3  253.9621472 -5951614042923 7 2    2922 8 2      C-13-H3C(O)CH3
  127825.1967  0.0059 -6.9343 3    5.3239 88  595161404 5 5 0 1     4 2 2 1      C-13-H3C(O)CH3
  127828.7354  0.0079 -4.9701 3  545.6444712  595161404442817 1    442718 1      C-13-H3C(O)CH3
  127836.7299  0.0061 -6.9408 3    5.3228 88  595161404 5 5 0 2     4 2 2 2      C-13-H3C(O)CH3
  127838.9859  0.0058 -4.7510 3  253.9452472 -5951614042923 7 1    2922 8 1      C-13-H3C(O)CH3
  127859.5867  0.0590 -5.5096 3  694.4483404  595161404502921 3    502822 3      C-13-H3C(O)CH3
  127864.0505  0.0057 -4.7513 3  253.9801472 -5951614042923 6 2    2922 7 2      C-13-H3C(O)CH3
  127865.6566  0.0593 -5.5096 3  694.4484404  595161404502921 4    502822 4      C-13-H3C(O)CH3
  127924.0038  0.0114 -4.9703 3  545.6417712  595161404442817 2    442718 2      C-13-H3C(O)CH3
  127942.7011  0.0077 -5.8943 3  356.4553568  595161404352511 1    352411 1      C-13-H3C(O)CH3
  127946.1230  0.0366 -5.3770 3  613.0917380  595161404472720 3    472621 3      C-13-H3C(O)CH3
  127948.4017  0.0020 -6.7383 3   11.4222120  595161404 7 5 3 1     6 4 3 1      C-13-H3C(O)CH3
  127951.5663  0.0371 -5.3770 3  613.0917380  595161404472720 4    472621 4      C-13-H3C(O)CH3
  127964.9261  0.0022 -6.8289 3   11.4220120  595161404 7 5 3 2     6 4 3 2      C-13-H3C(O)CH3
  127971.6768  0.0062 -4.7507 3  253.9958472  5951614042923 6 0    2922 7 0      C-13-H3C(O)CH3
  127975.5756  0.0099 -5.2728 3  545.6277356  595161404442817 4    442718 4      C-13-H3C(O)CH3
  127980.0258  0.0062 -4.7506 3  253.9955472 -5951614042923 7 0    2922 8 0      C-13-H3C(O)CH3
  127990.5783  0.0125 -5.9295 3  414.7789616  595161404382612 1    382514 1      C-13-H3C(O)CH3
  128025.3395  0.0085 -4.7993 3  356.4553568 -595161404352510 1    352411 1      C-13-H3C(O)CH3
  128033.0374  0.0029 -4.6219 3  276.9424520 -595161404321616 2    321517 2      C-13-H3C(O)CH3
  128045.8737  0.0032 -4.9230 3  276.9226260 -595161404321616 3    321517 3      C-13-H3C(O)CH3
  128046.4307  0.0033 -4.9230 3  276.9226260 -595161404321616 4    321517 4      C-13-H3C(O)CH3
  128054.6426  0.0026 -4.6218 3  276.9660520 -595161404321616 0    321517 0      C-13-H3C(O)CH3
  128067.4050  0.0029 -4.6219 3  276.9463520 -595161404321616 1    321517 1      C-13-H3C(O)CH3
  128072.2220  0.0130 -5.2696 3  545.6286356  595161404442817 3    442718 3      C-13-H3C(O)CH3
  128079.1983  0.0600 -5.2076 3  694.4607808  595161404502921 2    502822 2      C-13-H3C(O)CH3
  128083.9415  0.0366 -5.0754 3  613.1074760  595161404472720 2    472621 2      C-13-H3C(O)CH3
  128118.5601  0.0111 -5.1235 3  356.4408284  595161404352510 3    352411 3      C-13-H3C(O)CH3
  128119.8261  0.0075 -6.6857 3   82.6732280  5951614041712 6 1    17 9 8 1      C-13-H3C(O)CH3
  128120.7821  0.0064 -4.7654 3  356.4802568 -595161404352510 0    352411 0      C-13-H3C(O)CH3
  128154.9797  0.0087 -4.9547 3  541.3832712  595161404442718 0    442619 0      C-13-H3C(O)CH3
  128161.1902  0.0119 -5.1281 3  356.4407284  595161404352510 4    352411 4      C-13-H3C(O)CH3
  128163.2385  0.0230 -6.1403 3  414.7626308  595161404382612 3    382514 3      C-13-H3C(O)CH3
  128186.3293  0.0318 -5.2070 3  694.4649808  595161404502921 1    502822 1      C-13-H3C(O)CH3
  128206.1933  0.0178 -5.0747 3  613.1125760  595161404472720 1    472621 1      C-13-H3C(O)CH3
  128237.2144  0.0081 -4.9541 3  541.3669712  595161404442718 1    442619 1      C-13-H3C(O)CH3
  128239.5965  0.0052 -7.2170 3    5.3967 44  595161404 5 5 0 4     4 2 2 4      C-13-H3C(O)CH3
  128240.8671  0.0099 -4.8236 3  356.4659568 -595161404352510 2    352411 2      C-13-H3C(O)CH3
  128256.7072  0.0029 -4.6205 3  276.9432520 -595161404321716 2    321617 2      C-13-H3C(O)CH3
  128267.0299  0.0032 -4.9216 3  276.9234260 -595161404321716 4    321617 4      C-13-H3C(O)CH3
  128267.0299  0.0030 -4.9216 3  276.9234260 -595161404321716 3    321617 3      C-13-H3C(O)CH3
  128269.5015  0.0028 -4.8903 3  144.9218196 -59516140424 915 4    24 816 4      C-13-H3C(O)CH3
  128269.5015  0.0022 -4.8903 3  144.9218196 -59516140424 915 3    24 816 3      C-13-H3C(O)CH3
  128269.8227  0.0028 -4.8903 3  144.9218196 -595161404241015 4    24 916 4      C-13-H3C(O)CH3
  128269.8227  0.0022 -4.8903 3  144.9218196 -595161404241015 3    24 916 3      C-13-H3C(O)CH3
  128274.2002  0.0026 -4.6204 3  276.9668520 -595161404321716 0    321617 0      C-13-H3C(O)CH3
  128276.0584  0.0017 -4.6220 3   25.7820100 -59516140412 111 3    11 210 3      C-13-H3C(O)CH3
  128276.0584  0.0016 -4.6220 3   25.7820100 -59516140412 211 4    11 110 4      C-13-H3C(O)CH3
  128276.0584  0.0017 -4.6220 3   25.7820100 -59516140412 211 3    11 110 3      C-13-H3C(O)CH3
  128276.0584  0.0016 -4.6220 3   25.7820100 -59516140412 111 4    11 210 4      C-13-H3C(O)CH3
  128282.3175  0.0370 -7.0137 3  302.8258260  5951614043224 9 4    3223 9 4      C-13-H3C(O)CH3
  128284.3805  0.0029 -4.6205 3  276.9470520 -595161404321716 1    321617 1      C-13-H3C(O)CH3
  128286.6061  0.0085 -4.9539 3  541.3625712  595161404442718 2    442619 2      C-13-H3C(O)CH3
  128293.2468  0.0053 -6.7876 3  199.7340456  595161404281117 1    271414 1      C-13-H3C(O)CH3
  128298.8547  0.0019 -4.3208 3   25.7146200 -59516140412 211 1    11 110 1      C-13-H3C(O)CH3
  128298.8547  0.0018 -4.3208 3   25.7141200 -59516140412 111 2    11 210 2      C-13-H3C(O)CH3
  128298.8547  0.0019 -4.3208 3   25.7146200 -59516140412 111 1    11 210 1      C-13-H3C(O)CH3
  128298.8547  0.0018 -4.3208 3   25.7141200 -59516140412 211 2    11 110 2      C-13-H3C(O)CH3
  128307.1296  0.0047 -6.7837 3  199.7416456  595161404281117 0    271414 0      C-13-H3C(O)CH3
  128317.2886  0.0076 -6.0198 3   32.4219184  59516140411 7 4 2    10 8 2 2      C-13-H3C(O)CH3
  128321.6182  0.0017 -4.3206 3   25.6469200 -59516140412 211 0    11 110 0      C-13-H3C(O)CH3
  128321.6182  0.0017 -4.3206 3   25.6469200 -59516140412 111 0    11 210 0      C-13-H3C(O)CH3
  128330.2431  0.0057 -7.0894 3  199.7223228  595161404281117 4    271414 4      C-13-H3C(O)CH3
  128330.5078  0.0051 -7.0894 3  199.7223228  595161404281117 3    271414 3      C-13-H3C(O)CH3
  128341.4935  0.0200 -5.0742 3  613.1281760  595161404472720 0    472621 0      C-13-H3C(O)CH3
  128344.4358  0.0053 -6.7844 3  199.7299456  595161404281117 2    271414 2      C-13-H3C(O)CH3
  128358.0999  0.0066 -5.2545 3  541.3461356  595161404442718 4    442619 4      C-13-H3C(O)CH3
  128360.6281  0.0342 -7.0612 3  302.8258260  5951614043224 9 3    3223 9 3      C-13-H3C(O)CH3
  128362.5649  0.0021 -4.5883 3  144.9120392 -59516140424 915 2    24 816 2      C-13-H3C(O)CH3
  128362.9137  0.0021 -4.5883 3  144.9120392 -595161404241015 2    24 916 2      C-13-H3C(O)CH3
  128375.0110  0.0021 -4.5884 3  144.9135392 -59516140424 915 1    24 816 1      C-13-H3C(O)CH3
  128375.3390  0.0021 -4.5884 3  144.9135392 -595161404241015 1    24 916 1      C-13-H3C(O)CH3
  128378.8130  0.0072 -5.2543 3  541.3464356  595161404442718 3    442619 3      C-13-H3C(O)CH3
  128384.4760  0.0206 -6.7247 3  302.8465520  5951614043224 9 1    3223 9 1      C-13-H3C(O)CH3
  128385.2190  0.0260 -5.6322 3  414.7810616  595161404382612 2    382514 2      C-13-H3C(O)CH3
  128393.6368  0.0079 -5.9936 3   32.4229184  59516140411 7 4 1    10 8 2 1      C-13-H3C(O)CH3
  128403.3367  0.0350 -5.2061 3  694.4771808  595161404502921 0    502822 0      C-13-H3C(O)CH3
  128427.5261  0.0077 -6.7937 3   82.6675280  5951614041712 6 2    17 9 8 2      C-13-H3C(O)CH3
  128464.1179  0.0053 -6.7864 3  199.7283456  595161404281217 1    271314 1      C-13-H3C(O)CH3
  128467.8424  0.0020 -4.5874 3  144.9038392 -59516140424 915 0    24 816 0      C-13-H3C(O)CH3
  128468.1811  0.0020 -4.5874 3  144.9038392 -595161404241015 0    24 916 0      C-13-H3C(O)CH3
  128471.8469  0.0072 -4.9136 3  515.5073696 -595161404432618 0    432519 0      C-13-H3C(O)CH3
  128482.3252  0.0047 -6.7824 3  199.7357456  595161404281217 0    271314 0      C-13-H3C(O)CH3
  128488.3677  0.0098 -6.1913 3   57.4204232  5951614041411 3 0    14 8 6 0      C-13-H3C(O)CH3
  128489.8274  0.1589 -5.5843 3  912.3668920  595161404573621 0    573522 0      C-13-H3C(O)CH3
  128499.6642  0.6490 -6.5299 3 1442.7614B60  595161404724428 0    724329 0      C-13-H3C(O)CH3
  128501.8981  0.0057 -7.0882 3  199.7166228  595161404281217 4    271314 4      C-13-H3C(O)CH3
  128502.7792  0.0051 -7.0882 3  199.7166228  595161404281217 3    271314 3      C-13-H3C(O)CH3
  128516.2256  0.0106 -5.1261 3  356.4132284  595161404352511 4    352412 4      C-13-H3C(O)CH3
  128520.8876  0.0053 -6.7831 3  199.7240456  595161404281217 2    271314 2      C-13-H3C(O)CH3
  128535.0704  0.0070 -4.9132 3  515.4890696 -595161404432618 1    432519 1      C-13-H3C(O)CH3
  128547.1562  0.0034 -6.5037 3  114.5622344  59516140421 912 0    2012 9 0      C-13-H3C(O)CH3
  128551.3400  0.0036 -6.5082 3  114.5776344  59516140421 912 1    2012 9 1      C-13-H3C(O)CH3
  128556.7068  0.0106 -5.1208 3  356.4133284  595161404352511 3    352412 3      C-13-H3C(O)CH3
  128561.4746  0.0066 -4.9130 3  515.4842696 -595161404432618 2    432519 2      C-13-H3C(O)CH3
  128564.5580  0.0035 -6.8110 3  114.5903172  59516140421 912 3    2012 9 3      C-13-H3C(O)CH3
  128571.0238  0.0036 -6.5054 3  114.5745344  59516140421 912 2    2012 9 2      C-13-H3C(O)CH3
  128581.5296  0.0070 -5.8292 3   12.5274 60  595161404 7 6 2 4     6 5 1 4      C-13-H3C(O)CH3
  128586.1234  0.0040 -6.8109 3  114.5896172  59516140421 912 4    2012 9 4      C-13-H3C(O)CH3
  128592.3253  0.0075 -4.7956 3  356.4337568 -595161404352511 1    352412 1      C-13-H3C(O)CH3
  128592.6009  0.0340 -5.8888 3  414.7594308  595161404382612 4    382514 4      C-13-H3C(O)CH3
  128597.8249  0.0069 -5.0438 3  302.8258260  5951614043224 8 3    3223 9 3      C-13-H3C(O)CH3
  128613.0496  0.6195 -6.3880 3 1365.3872B28  595161404704327 0    704228 0      C-13-H3C(O)CH3
  128619.2773  0.0053 -5.2137 3  515.4658348  595161404432618 4    432519 4      C-13-H3C(O)CH3
  128629.7524  0.0054 -5.2136 3  515.4660348  595161404432618 3    432519 3      C-13-H3C(O)CH3
  128633.6465  0.0089 -4.8212 3  356.4385568  595161404352511 2    352412 2      C-13-H3C(O)CH3
  128668.9060  0.0105 -5.2633 3  185.5886196  5951614042422 2 4    2421 3 4      C-13-H3C(O)CH3
  128674.8938  0.0079 -5.0441 3  302.8258260  5951614043224 8 4    3223 9 4      C-13-H3C(O)CH3
  128674.9860  0.0085 -5.8891 3  356.4337568  595161404352510 1    352412 1      C-13-H3C(O)CH3
  128684.3368  0.0070 -5.0436 3  302.8124260  5951614043224 9 4    322310 4      C-13-H3C(O)CH3
  128686.5935  0.7190 -6.5289 3 1442.7597B60  595161404724428 2    724329 2      C-13-H3C(O)CH3
  128694.6917  0.0062 -4.7616 3  356.4587568 -595161404352511 0    352412 0      C-13-H3C(O)CH3
  128696.0641  0.0088 -5.2628 3  185.5412196  5951614042422 3 3    2421 4 3      C-13-H3C(O)CH3
  128699.4830  0.0062 -4.7428 3  302.8465520 -5951614043224 8 1    3223 9 1      C-13-H3C(O)CH3
  128707.8513  0.0108 -6.4375 3   57.4680232  5951614041411 3 1    14 8 6 1      C-13-H3C(O)CH3
  128718.7745  0.0067 -7.0075 3   28.0608168  59516140410 8 3 1    10 5 6 1      C-13-H3C(O)CH3
  128733.7356  0.0072 -6.4091 3   54.2538116  59516140414 9 5 3    14 6 8 3      C-13-H3C(O)CH3
  128746.3631  0.0163 -5.0749 3  302.8522520  5951614043224 9 2    3223 9 2      C-13-H3C(O)CH3
  128747.6395  0.0062 -6.1006 3   54.2096232  59516140414 9 5 2    14 6 8 2      C-13-H3C(O)CH3
  128760.3315  0.0070 -5.0430 3  302.8125260  5951614043224 9 3    322310 3      C-13-H3C(O)CH3
  128782.9661  0.0060 -4.7422 3  302.8332520 -5951614043224 9 1    322310 1      C-13-H3C(O)CH3
  128792.4768  0.0778 -7.4942 3  791.8200856  595161404533420 1    533320 1      C-13-H3C(O)CH3
  128801.9417  0.0046 -6.0950 3   54.1673232  59516140414 9 5 0    14 6 8 0      C-13-H3C(O)CH3
  128824.3655  0.0158 -5.0057 3  302.8522520  5951614043224 8 2    3223 9 2      C-13-H3C(O)CH3
  128833.5053  0.0068 -6.4119 3   54.2539116  59516140414 9 5 4    14 6 8 4      C-13-H3C(O)CH3
  128834.9018  0.0167 -5.0053 3  302.8493520  5951614043224 9 2    322310 2      C-13-H3C(O)CH3
  128836.2843  0.0058 -6.1039 3   54.2114232  59516140414 9 5 1    14 6 8 1      C-13-H3C(O)CH3
  128851.5746  0.0060 -4.7376 3  302.8727520  5951614043224 8 0    3223 9 0      C-13-H3C(O)CH3
  128857.5484  0.0092 -5.2621 3  185.5447196  5951614042422 2 3    2421 3 3      C-13-H3C(O)CH3
  128884.0492  0.0093 -5.2616 3  185.4973196  5951614042422 3 4    2421 4 4      C-13-H3C(O)CH3
  128886.7753  0.0105 -6.4352 3   57.4621232  5951614041411 3 2    14 8 6 2      C-13-H3C(O)CH3
  128905.8858  0.0080 -6.9993 3   28.0599168  59516140410 8 3 2    10 5 6 2      C-13-H3C(O)CH3
  128907.9214  0.7232 -6.3866 3 1365.3842B28  595161404704327 2    704228 2      C-13-H3C(O)CH3
  128912.9042  0.0154 -5.0742 3  302.8493520  5951614043224 8 2    322310 2      C-13-H3C(O)CH3
  128915.9499  0.1178 -7.3042 3  791.8177856  595161404533420 2    533320 2      C-13-H3C(O)CH3
  128929.1158  0.0088 -4.9610 3  185.6005392  5951614042422 2 1    2421 3 1      C-13-H3C(O)CH3
  128932.6182  0.0060 -4.7371 3  302.8697520 -5951614043224 9 0    322310 0      C-13-H3C(O)CH3
  128943.0354  0.0322 -5.9672 3  356.4133284  595161404352510 3    352412 3      C-13-H3C(O)CH3
  128987.4919  0.0343 -5.9332 3  356.4132284  595161404352510 4    352412 4      C-13-H3C(O)CH3
  128991.5375  0.0082 -4.9608 3  185.6164392  5951614042422 2 2    2421 3 2      C-13-H3C(O)CH3
  128997.5283  0.0347 -7.0567 3  302.8125260  5951614043224 8 3    322310 3      C-13-H3C(O)CH3
  129017.3963  0.0090 -4.9603 3  185.5689392  5951614042422 3 2    2421 4 2      C-13-H3C(O)CH3
  129018.9415  0.5979 -6.5272 3 1442.7396B60  595161404724428 1    724329 1      C-13-H3C(O)CH3
  129034.0702  0.0029 -4.9031 3  130.4872188  59516140423 815 4    23 716 4      C-13-H3C(O)CH3
  129034.0726  0.0023 -4.9031 3  130.4871188  59516140423 815 3    23 716 3      C-13-H3C(O)CH3
  129034.1511  0.0029 -4.9031 3  130.4872188  59516140423 915 4    23 816 4      C-13-H3C(O)CH3
  129034.1543  0.0023 -4.9031 3  130.4871188  59516140423 915 3    23 816 3      C-13-H3C(O)CH3
  129063.6680  0.0287 -5.6540 3  356.4385568  595161404352510 2    352412 2      C-13-H3C(O)CH3
  129063.8973  0.0044 -7.1560 3   28.1184 84  59516140410 8 3 3    10 5 6 3      C-13-H3C(O)CH3
  129076.9130  0.0352 -7.0090 3  302.8124260  5951614043224 8 4    322310 4      C-13-H3C(O)CH3
  129098.0517  0.0200 -6.7202 3  302.8332520  5951614043224 8 1    322310 1      C-13-H3C(O)CH3
  129116.6103  0.0088 -4.9598 3  185.5565392  5951614042422 3 1    2421 4 1      C-13-H3C(O)CH3
  129145.6930  0.0022 -4.6010 3  130.4710376  59516140423 815 2    23 716 2      C-13-H3C(O)CH3
  129145.7777  0.0022 -4.6010 3  130.4710376  59516140423 915 2    23 816 2      C-13-H3C(O)CH3
  129149.3298  0.0094 -6.8516 3  477.8734664  595161404412714 1    412616 1      C-13-H3C(O)CH3
  129156.1303  0.0022 -4.6011 3  130.4723376  59516140423 815 1    23 716 1      C-13-H3C(O)CH3
  129156.2109  0.0022 -4.6011 3  130.4723376  59516140423 915 1    23 816 1      C-13-H3C(O)CH3
  129177.6455  0.0101 -4.9913 3  567.8201728  595161404452818 0    452719 0      C-13-H3C(O)CH3
  129179.0462  0.1518 -5.5813 3  912.3593920  595161404573621 1    573522 1      C-13-H3C(O)CH3
  129183.7837  0.0065 -7.5447 3   32.4481 92  59516140411 7 4 3    10 8 2 3      C-13-H3C(O)CH3
  129199.2501  0.0912 -7.1498 3  791.8165428  595161404533420 4    533320 4      C-13-H3C(O)CH3
  129203.4120  0.0140 -6.7587 3   57.5106116  5951614041411 3 4    14 8 6 4      C-13-H3C(O)CH3
  129207.6914  0.5602 -6.8273 3 1442.7380580  595161404724428 3    724329 3      C-13-H3C(O)CH3
  129208.9187  0.5764 -6.8273 3 1442.7380580  595161404724428 4    724329 4      C-13-H3C(O)CH3
  129233.8541  0.2347 -5.5813 3  912.3581920  595161404573621 2    573522 2      C-13-H3C(O)CH3
  129238.9812  0.5733 -6.3849 3 1365.3677B28  595161404704327 1    704228 1      C-13-H3C(O)CH3
  129252.6072  0.0091 -4.9595 3  185.6281392  5951614042422 2 0    2421 3 0      C-13-H3C(O)CH3
  129252.6145  0.0091 -4.9595 3  185.6281392  5951614042422 3 0    2421 4 0      C-13-H3C(O)CH3
  129264.8805  0.0080 -4.9379 3  523.9443696  595161404432816 0    432717 0      C-13-H3C(O)CH3
  129267.5168  0.0021 -4.5999 3  130.4563376  59516140423 815 0    23 716 0      C-13-H3C(O)CH3
  129267.6006  0.0021 -4.5999 3  130.4563376  59516140423 915 0    23 816 0      C-13-H3C(O)CH3
  129282.3410  0.0092 -4.9907 3  567.8062728  595161404452818 1    452719 1      C-13-H3C(O)CH3
  129304.7658  0.0124 -7.3437 3  477.8578332  595161404412714 3    412616 3      C-13-H3C(O)CH3
  129315.4457  0.0037 -4.7201 3  376.4921600  595161404372117 0    372018 0      C-13-H3C(O)CH3
  129324.4762  0.0041 -4.7200 3  376.4635600  595161404372117 2    372018 2      C-13-H3C(O)CH3
  129326.5351  0.0074 -4.9406 3  523.9310696  595161404432816 1    432717 1      C-13-H3C(O)CH3
  129350.0067  0.0039 -4.7199 3  376.4683600  595161404372117 1    372018 1      C-13-H3C(O)CH3
  129352.3012  0.0112 -4.9905 3  567.8025728  595161404452818 2    452719 2      C-13-H3C(O)CH3
  129358.7891  0.0042 -5.0208 3  376.4397300  595161404372117 4    372018 4      C-13-H3C(O)CH3
  129358.9321  0.0020 -4.5316 3   26.7938108  59516140413 013 3    12 112 3      C-13-H3C(O)CH3
  129358.9321  0.0020 -4.5316 3   26.7938108  59516140413 113 3    12 012 3      C-13-H3C(O)CH3
  129358.9432  0.0020 -4.5316 3   26.7938108  59516140413 113 4    12 012 4      C-13-H3C(O)CH3
  129358.9432  0.0020 -4.5316 3   26.7938108  59516140413 013 4    12 112 4      C-13-H3C(O)CH3
  129359.3636  0.0042 -5.0208 3  376.4397300  595161404372117 3    372018 3      C-13-H3C(O)CH3
  129365.9324  0.0023 -4.2304 3   26.7211216  59516140413 013 1    12 112 1      C-13-H3C(O)CH3
  129365.9324  0.0023 -4.2304 3   26.7211216  59516140413 113 1    12 012 1      C-13-H3C(O)CH3
  129366.0158  0.0022 -4.2304 3   26.7206216  59516140413 013 2    12 112 2      C-13-H3C(O)CH3
  129366.0158  0.0022 -4.2304 3   26.7206216  59516140413 113 2    12 012 2      C-13-H3C(O)CH3
  129366.1876  0.0118 -5.2561 3  523.9157348  595161404432816 4    432717 4      C-13-H3C(O)CH3
  129372.9935  0.0021 -4.2302 3   26.6480216  59516140413 013 0    12 112 0      C-13-H3C(O)CH3
  129372.9935  0.0021 -4.2302 3   26.6480216  59516140413 113 0    12 012 0      C-13-H3C(O)CH3
  129386.8195  0.0179 -6.3881 3  477.8729664  595161404412714 2    412616 2      C-13-H3C(O)CH3
  129411.8470  0.0104 -4.9449 3  523.9300696  595161404432816 2    432717 2      C-13-H3C(O)CH3
  129421.5518  0.0072 -5.5437 3   32.3324184  59516140411 7 4 0    10 8 3 0      C-13-H3C(O)CH3
  129421.9608  0.2306 -6.6741 3 1361.0478564  595161404704228 3    704129 3      C-13-H3C(O)CH3
  129422.9647  0.2260 -6.6741 3 1361.0478564  595161404704228 4    704129 4      C-13-H3C(O)CH3
  129435.7491  0.0089 -5.2913 3  567.7885364  595161404452818 4    452719 4      C-13-H3C(O)CH3
  129476.9923  0.0107 -5.2906 3  567.7889364  595161404452818 3    452719 3      C-13-H3C(O)CH3
  129486.0430  0.2464 -6.3729 3 1361.0486B28  595161404704228 1    704129 1      C-13-H3C(O)CH3
  129487.5869  0.2377 -6.3732 3 1361.0649B28  595161404704228 2    704129 2      C-13-H3C(O)CH3
  129534.1400  0.5868 -6.6845 3 1365.3648564  595161404704327 3    704228 3      C-13-H3C(O)CH3
  129538.6858  0.6087 -6.6845 3 1365.3649564  595161404704327 4    704228 4      C-13-H3C(O)CH3
  129556.7053  0.2516 -6.3730 3 1361.0657B28  595161404704228 0    704129 0      C-13-H3C(O)CH3
  129569.4762  0.0018 -5.0600 3   19.3088 76  595161404 9 5 5 4     8 4 4 4      C-13-H3C(O)CH3
  129591.0641  0.0132 -5.2384 3  523.9177348  595161404432816 3    432717 3      C-13-H3C(O)CH3
  129606.9440  0.0069 -6.5452 3   66.1994132  59516140416 8 9 4    15 9 6 4      C-13-H3C(O)CH3
  129610.1774  0.0026 -5.0595 3   19.3078 76  595161404 9 5 5 3     8 4 4 3      C-13-H3C(O)CH3
  129652.5541  0.0052 -6.5448 3   66.1978132  59516140416 8 9 3    15 9 6 3      C-13-H3C(O)CH3
  129654.2485  0.0272 -6.3920 3  477.8557332  595161404412714 4    412616 4      C-13-H3C(O)CH3
  129682.3357  0.0097 -6.6173 3   69.1864248  5951614041513 3 0    1414 0 0      C-13-H3C(O)CH3
  129687.0993  0.0097 -6.6173 3   69.1864248  5951614041513 2 0    1414 1 0      C-13-H3C(O)CH3
  129695.2653  0.0025 -4.9241 3  116.6392180  59516140422 715 3    22 616 3      C-13-H3C(O)CH3
  129695.2727  0.0031 -4.9241 3  116.6393180  59516140422 715 4    22 616 4      C-13-H3C(O)CH3
  129695.2834  0.0025 -4.9241 3  116.6392180  59516140422 815 3    22 716 3      C-13-H3C(O)CH3
  129695.2906  0.0031 -4.9241 3  116.6393180  59516140422 815 4    22 716 4      C-13-H3C(O)CH3
  129706.2999  0.0023 -4.7581 3   19.2449152  595161404 9 5 5 1     8 4 4 1      C-13-H3C(O)CH3
  129745.2194  0.0027 -4.7583 3   19.2428152  595161404 9 5 5 2     8 4 4 2      C-13-H3C(O)CH3
  129746.3152  0.0053 -6.2393 3   66.1609264  59516140416 8 9 1    15 9 6 1      C-13-H3C(O)CH3
  129805.7456  0.0053 -6.8412 3   28.0025168  59516140410 8 3 0    10 5 6 0      C-13-H3C(O)CH3
  129808.4794  0.0066 -5.0751 3  240.0622228  5951614042823 6 3    2822 6 3      C-13-H3C(O)CH3
  129811.9497  0.0092 -6.6156 3   69.2313248  5951614041513 2 2    1414 0 2      C-13-H3C(O)CH3
  129817.5556  0.0133 -7.6726 3   36.7599 92  5951614041110 2 4    11 7 4 4      C-13-H3C(O)CH3
  129825.8289  0.0024 -4.6217 3  116.6163360  59516140422 715 2    22 616 2      C-13-H3C(O)CH3
  129825.8478  0.0024 -4.6217 3  116.6163360  59516140422 815 2    22 716 2      C-13-H3C(O)CH3
  129834.4452  0.0024 -4.6219 3  116.6173360  59516140422 715 1    22 616 1      C-13-H3C(O)CH3
  129834.4630  0.0024 -4.6219 3  116.6173360  59516140422 815 1    22 716 1      C-13-H3C(O)CH3
  129836.1122  0.0060 -4.8695 3  490.1827680  595161404422518 0    422419 0      C-13-H3C(O)CH3
  129837.6731  0.0082 -5.0753 3  240.0868228  5951614042823 5 4    2822 6 4      C-13-H3C(O)CH3
  129850.4258  0.6408 -6.6701 3 1522.2285B92  595161404744529 0    744430 0      C-13-H3C(O)CH3
  129861.0924  0.0024 -4.7577 3   19.1796152  595161404 9 5 5 0     8 4 4 0      C-13-H3C(O)CH3
  129863.2052  0.2075 -5.8780 3  912.3503460  595161404573621 3    573522 3      C-13-H3C(O)CH3
  129885.9582  0.0060 -4.8691 3  490.1627680  595161404422518 1    422419 1      C-13-H3C(O)CH3
  129888.2579  0.0052 -6.2338 3   66.1543264  59516140416 8 9 2    15 9 6 2      C-13-H3C(O)CH3
  129891.7374  0.0057 -4.8690 3  490.1577680  595161404422518 2    422419 2      C-13-H3C(O)CH3
  129913.5799  0.0073 -5.1276 3   12.4474120  595161404 7 6 2 1     6 5 1 1      C-13-H3C(O)CH3
  129916.7286  0.0163 -7.6570 3  307.1707536  595161404332113 0    3224 8 0      C-13-H3C(O)CH3
  129921.8781  0.0073 -5.8457 3   32.4235 92  59516140411 7 4 3    10 8 3 3      C-13-H3C(O)CH3
  129931.2775  0.0151 -5.2293 3  457.6685324  595161404402714 4    402615 4      C-13-H3C(O)CH3
  129931.2929  0.0116 -5.4034 3  174.2783188  5951614042322 1 4    2321 2 4      C-13-H3C(O)CH3
  129938.8312  0.0051 -5.1697 3  490.1377340  595161404422518 4    422419 4      C-13-H3C(O)CH3
  129944.1606  0.0050 -5.1697 3  490.1377340  595161404422518 3    422419 3      C-13-H3C(O)CH3
  129945.3318  0.0072 -5.0742 3  240.0329228  5951614042823 6 4    2822 7 4      C-13-H3C(O)CH3
  129946.6903  0.6560 -6.6696 3 1522.2284B92  595161404744529 2    744430 2      C-13-H3C(O)CH3
  129955.3959  0.0028 -4.8989 3  257.8366252  595161404311516 3    311417 3      C-13-H3C(O)CH3
  129955.5681  0.0027 -4.5977 3  257.8544504  595161404311516 2    311417 2      C-13-H3C(O)CH3
  129955.6843  0.0031 -4.8989 3  257.8366252  595161404311516 4    311417 4      C-13-H3C(O)CH3
  129961.0259  0.0353 -6.0690 3  396.2100300  595161404372612 4    372512 4      C-13-H3C(O)CH3
  129964.3918  0.5588 -6.2455 3 1290.1201A96  595161404684226 0    684127 0      C-13-H3C(O)CH3
  129964.7334  0.0023 -4.6205 3  116.5944360  59516140422 715 0    22 616 0      C-13-H3C(O)CH3
  129964.7521  0.0023 -4.6205 3  116.5944360  59516140422 815 0    22 716 0      C-13-H3C(O)CH3
  129971.5482  0.0098 -6.6144 3   69.2207248  5951614041513 2 1    1414 0 1      C-13-H3C(O)CH3
  129974.6973  0.0068 -5.0744 3  240.0574228  5951614042823 5 3    2822 7 3      C-13-H3C(O)CH3
  129976.9687  0.2385 -5.8807 3  912.3518460  595161404573621 4    573522 4      C-13-H3C(O)CH3
  129983.5075  0.0027 -4.5977 3  257.8578504  595161404311516 1    311417 1      C-13-H3C(O)CH3
  129983.6910  0.0024 -4.5975 3  257.8756504  595161404311516 0    311417 0      C-13-H3C(O)CH3
  129984.6404  0.0099 -5.4027 3  174.2258188  5951614042322 2 3    2321 3 3      C-13-H3C(O)CH3
  129992.1315  0.0064 -4.7735 3  240.1022456  5951614042823 5 1    2822 6 1      C-13-H3C(O)CH3
  130002.2538  0.0051 -6.2292 3   66.1168264  59516140416 8 9 0    15 9 6 0      C-13-H3C(O)CH3
  130039.3976  0.0028 -4.8984 3  257.8369252  595161404311616 3    311517 3      C-13-H3C(O)CH3
  130039.4635  0.0030 -4.8984 3  257.8369252  595161404311616 4    311517 4      C-13-H3C(O)CH3
  130040.7589  0.0027 -4.5972 3  257.8547504  595161404311616 2    311517 2      C-13-H3C(O)CH3
  130056.0487  0.0089 -5.0793 3   12.4465120  595161404 7 6 2 2     6 5 1 2      C-13-H3C(O)CH3
  130065.8708  0.0027 -4.5972 3  257.8581504  595161404311616 1    311517 1      C-13-H3C(O)CH3
  130067.2643  0.0024 -4.5970 3  257.8758504  595161404311616 0    311517 0      C-13-H3C(O)CH3
  130072.9924  0.0064 -4.7729 3  240.0891456  5951614042823 6 2    2822 7 2      C-13-H3C(O)CH3
  130074.5788  0.0086 -4.8845 3  457.6862648  595161404402714 1    402615 1      C-13-H3C(O)CH3
  130091.4751  0.0133 -4.9126 3  457.6877648  595161404402714 2    402615 2      C-13-H3C(O)CH3
  130100.1508  0.0122 -6.9137 3   69.2656124  5951614041513 2 4    1414 0 4      C-13-H3C(O)CH3
  130104.0176  0.0061 -4.7731 3  240.1137456  5951614042823 5 2    2822 6 2      C-13-H3C(O)CH3
  130107.2838  0.2703 -6.4628 3 1246.9607540  595161404674027 3    673928 3      C-13-H3C(O)CH3
  130110.0903  0.2676 -6.4628 3 1246.9608540  595161404674027 4    673928 4      C-13-H3C(O)CH3
  130110.1909  0.0098 -6.6136 3   69.1469248  5951614041513 3 2    1414 1 2      C-13-H3C(O)CH3
  130120.4906  0.0101 -6.6140 3   69.1352248  5951614041513 3 1    1414 1 1      C-13-H3C(O)CH3
  130127.3388  0.0064 -4.7726 3  240.0729456  5951614042823 6 1    2822 7 1      C-13-H3C(O)CH3
  130136.3590  0.0074 -4.8539 3  457.7031648  595161404402714 0    402615 0      C-13-H3C(O)CH3
  130142.4594  0.0103 -5.4021 3  174.2325188  5951614042322 1 3    2321 2 3      C-13-H3C(O)CH3
  130151.0872  0.3458 -6.5896 3 1480.0023B76  595161404734429 0    734330 0      C-13-H3C(O)CH3
  130158.2675  0.2568 -6.5894 3 1480.0024B76  595161404734429 2    734330 2      C-13-H3C(O)CH3
  130182.5106  0.0097 -5.7167 3   32.3597184  59516140411 7 4 2    10 8 3 2      C-13-H3C(O)CH3
  130195.0661  0.0105 -5.4015 3  174.1801188  5951614042322 2 4    2321 3 4      C-13-H3C(O)CH3
  130201.4049  0.0051 -6.3953 3   86.9410296  59516140418 9 9 0    1712 6 0      C-13-H3C(O)CH3
  130223.9559  0.0101 -5.1009 3  174.2915376  5951614042322 1 1    2321 2 1      C-13-H3C(O)CH3
  130246.1890  0.0288 -5.6681 3  396.2291600  595161404372612 2    372512 2      C-13-H3C(O)CH3
  130247.9411  0.0110 -6.9134 3   69.1800124  5951614041513 3 3    1414 1 3      C-13-H3C(O)CH3
  130248.6750  0.5880 -6.6680 3 1522.2051B92  595161404744529 1    744430 1      C-13-H3C(O)CH3
  130255.2012  0.3269 -6.5887 3 1479.9811B76  595161404734429 1    734330 1      C-13-H3C(O)CH3
  130257.4277  0.0067 -4.7723 3  240.1289456  5951614042823 5 0    2822 6 0      C-13-H3C(O)CH3
  130258.8402  0.0067 -4.7723 3  240.1289456  5951614042823 6 0    2822 7 0      C-13-H3C(O)CH3
  130265.0798  0.1711 -6.8896 3 1479.9812588  595161404734429 4    734330 4      C-13-H3C(O)CH3
  130265.4216  0.0027 -4.9551 3  103.3801172  59516140421 615 3    21 516 3      C-13-H3C(O)CH3
  130265.4252  0.0027 -4.9551 3  103.3801172  59516140421 715 3    21 616 3      C-13-H3C(O)CH3
  130265.4502  0.0034 -4.9551 3  103.3801172  59516140421 615 4    21 516 4      C-13-H3C(O)CH3
  130265.4537  0.0034 -4.9551 3  103.3801172  59516140421 715 4    21 616 4      C-13-H3C(O)CH3
  130266.0918  0.0094 -5.1008 3  174.3087376  5951614042322 1 2    2321 2 2      C-13-H3C(O)CH3
  130266.2178  0.1776 -6.8896 3 1479.9812588  595161404734429 3    734330 3      C-13-H3C(O)CH3
  130272.8492  0.0139 -5.1767 3  457.6728324  595161404402714 3    402615 3      C-13-H3C(O)CH3
  130275.5674  0.2247 -6.1612 3 1246.9620A80  595161404674027 1    673928 1      C-13-H3C(O)CH3
  130318.4479  0.0104 -5.1002 3  174.2562376  5951614042322 2 2    2321 3 2      C-13-H3C(O)CH3
  130325.8314  0.2749 -6.1611 3 1246.9735A80  595161404674027 2    673928 2      C-13-H3C(O)CH3
  130346.0556  0.4879 -6.9685 3 1522.2051596  595161404744529 4    744430 4      C-13-H3C(O)CH3
  130347.2607  0.4781 -6.9685 3 1522.2051596  595161404744529 3    744430 3      C-13-H3C(O)CH3
  130372.2651  0.6790 -6.2435 3 1290.1162A96  595161404684226 2    684127 2      C-13-H3C(O)CH3
  130392.8371  0.0309 -5.9043 3  396.2050300  595161404372612 3    372512 3      C-13-H3C(O)CH3
  130397.3379  0.0105 -6.9118 3   69.1811124  5951614041513 2 3    1414 0 3      C-13-H3C(O)CH3
  130415.1626  0.0027 -4.6526 3  103.3498344  59516140421 615 2    21 516 2      C-13-H3C(O)CH3
  130415.1663  0.0027 -4.6526 3  103.3498344  59516140421 715 2    21 616 2      C-13-H3C(O)CH3
  130418.0370  0.0140 -5.5008 3  396.2186600  595161404372612 1    372512 1      C-13-H3C(O)CH3
  130422.1096  0.0027 -4.6527 3  103.3507344  59516140421 615 1    21 516 1      C-13-H3C(O)CH3
  130422.1131  0.0027 -4.6527 3  103.3507344  59516140421 715 1    21 616 1      C-13-H3C(O)CH3
  130434.3423  0.0102 -5.0997 3  174.2457376  5951614042322 2 1    2321 3 1      C-13-H3C(O)CH3
  130446.7858  0.0086 -5.7268 3   32.3544184  59516140411 7 4 1    10 8 3 1      C-13-H3C(O)CH3
  130499.3156  0.2298 -6.1605 3 1246.9746A80  595161404674027 0    673928 0      C-13-H3C(O)CH3
  130542.1440  0.0109 -6.9113 3   69.0957124  5951614041513 3 4    1414 1 4      C-13-H3C(O)CH3
  130549.3532  0.0030 -4.9629 3   12.5031 60  595161404 7 6 2 3     6 5 1 3      C-13-H3C(O)CH3
  130560.1132  0.0104 -5.0994 3  174.3219376  5951614042322 1 0    2321 2 0      C-13-H3C(O)CH3
  130560.1137  0.0104 -5.0994 3  174.3219376  5951614042322 2 0    2321 3 0      C-13-H3C(O)CH3
  130569.8467  0.0168 -7.3852 3  134.8477360  5951614042213 9 2    2116 5 2      C-13-H3C(O)CH3
  130571.5312  0.0026 -4.6512 3  103.3205344  59516140421 615 0    21 516 0      C-13-H3C(O)CH3
  130571.5349  0.0026 -4.6512 3  103.3205344  59516140421 715 0    21 616 0      C-13-H3C(O)CH3
  130591.9217  0.0066 -6.4275 3   86.9514296  59516140418 9 9 2    1712 6 2      C-13-H3C(O)CH3
  130610.9195  0.0249 -7.6666 3  134.8659180  5951614042213 9 4    2116 5 4      C-13-H3C(O)CH3
  130664.1867  0.0111 -7.4358 3  500.9858728  595161404451629 1    441926 1      C-13-H3C(O)CH3
  130664.1879  0.0111 -7.4358 3  500.9858728  595161404451729 1    441826 1      C-13-H3C(O)CH3
  130672.9589  0.5195 -6.2420 3 1290.1036A96  595161404684226 1    684127 1      C-13-H3C(O)CH3
  130677.7188  0.0114 -7.4337 3  500.9842728  595161404451629 2    441926 2      C-13-H3C(O)CH3
  130677.7200  0.0114 -7.4337 3  500.9842728  595161404451729 2    441826 2      C-13-H3C(O)CH3
  130681.9954  0.0052 -6.6952 3   86.9760148  59516140418 9 9 3    1712 6 3      C-13-H3C(O)CH3
  130715.7597  0.0072 -4.7920 3  396.2395600  595161404372611 0    372512 0      C-13-H3C(O)CH3
  130719.9998  0.0095 -7.4344 3  501.0101728  595161404451629 0    441926 0      C-13-H3C(O)CH3
  130720.0008  0.0095 -7.4344 3  501.0101728  595161404451729 0    441826 0      C-13-H3C(O)CH3
  130724.8547  0.0043 -4.6885 3  354.5063584  595161404361917 2    361818 2      C-13-H3C(O)CH3
  130727.6750  0.0065 -6.0156 3   82.7010140  5951614041712 5 3    17 9 8 3      C-13-H3C(O)CH3
  130732.0013  0.0113 -4.8865 3  396.2186600  595161404372611 1    372512 1      C-13-H3C(O)CH3
  130745.0611  0.0035 -4.6885 3  354.5348584  595161404361917 0    361818 0      C-13-H3C(O)CH3
  130755.1480  0.0030 -4.9993 3   90.7116164  59516140420 515 3    20 416 3      C-13-H3C(O)CH3
  130755.1487  0.0030 -4.9993 3   90.7116164  59516140420 615 3    20 516 3      C-13-H3C(O)CH3
  130755.2084  0.0037 -4.9993 3   90.7117164  59516140420 515 4    20 416 4      C-13-H3C(O)CH3
  130755.2090  0.0037 -4.9993 3   90.7117164  59516140420 615 4    20 516 4      C-13-H3C(O)CH3
  130756.6467  0.0049 -4.9893 3  354.4824292  595161404361917 3    361818 3      C-13-H3C(O)CH3
  130757.7822  0.0047 -4.9893 3  354.4824292  595161404361917 4    361818 4      C-13-H3C(O)CH3
  130763.2476  0.0123 -6.6014 3   46.9246108  59516140413 9 5 4    1210 2 4      C-13-H3C(O)CH3
  130771.1078  0.0060 -7.3656 3   28.0599168  59516140410 8 2 2    10 5 6 2      C-13-H3C(O)CH3
  130771.9234  0.0060 -7.3478 3   28.0608168  59516140410 8 2 1    10 5 6 1      C-13-H3C(O)CH3
  130776.7931  0.0041 -4.6883 3  354.5109584  595161404361917 1    361818 1      C-13-H3C(O)CH3
  130779.6911  0.0047 -7.4569 3   91.3354148  5951614041812 7 4    18 9 9 4      C-13-H3C(O)CH3
  130827.0879  0.0147 -5.1652 3  396.2050300  595161404372611 3    372512 3      C-13-H3C(O)CH3
  130856.0779  0.0067 -6.4349 3   86.9468296  59516140418 9 9 1    1712 6 1      C-13-H3C(O)CH3
  130881.8242  0.0084 -7.1371 3  361.1694616  595161404381424 1    371721 1      C-13-H3C(O)CH3
  130882.0412  0.0084 -7.1371 3  361.1694616  595161404381524 1    371621 1      C-13-H3C(O)CH3
  130884.5311  0.0082 -7.4382 3  361.1409308  595161404381424 3    371721 3      C-13-H3C(O)CH3
  130884.5728  0.0083 -7.4382 3  361.1408308  595161404381424 4    371721 4      C-13-H3C(O)CH3
  130884.7639  0.0082 -7.4382 3  361.1409308  595161404381524 3    371621 3      C-13-H3C(O)CH3
  130884.8045  0.0083 -7.4382 3  361.1408308  595161404381524 4    371621 4      C-13-H3C(O)CH3
  130899.4863  0.0028 -4.6473 3   12.3753120  595161404 7 6 2 0     6 5 1 0      C-13-H3C(O)CH3
  130905.9576  0.0072 -7.1346 3  361.1952616  595161404381424 0    371721 0      C-13-H3C(O)CH3
  130906.1698  0.0072 -7.1346 3  361.1952616  595161404381524 0    371621 0      C-13-H3C(O)CH3
  130908.7474  0.0085 -7.1346 3  361.1667616  595161404381424 2    371721 2      C-13-H3C(O)CH3
  130908.9750  0.0085 -7.1346 3  361.1667616  595161404381524 2    371621 2      C-13-H3C(O)CH3
  130924.1819  0.0032 -4.6967 3   90.6736328  59516140420 515 2    20 416 2      C-13-H3C(O)CH3
  130924.1825  0.0032 -4.6967 3   90.6736328  59516140420 615 2    20 516 2      C-13-H3C(O)CH3
  130929.5897  0.0032 -4.6968 3   90.6743328  59516140420 515 1    20 416 1      C-13-H3C(O)CH3
  130929.5903  0.0032 -4.6968 3   90.6743328  59516140420 615 1    20 516 1      C-13-H3C(O)CH3
  130957.3499  0.0119 -5.1402 3  396.2100300  595161404372611 4    372512 4      C-13-H3C(O)CH3
  130960.7091  0.0116 -4.8528 3  396.2291600  595161404372611 2    372512 2      C-13-H3C(O)CH3
  130990.8259  0.0086 -4.7991 3  441.1250648  595161404402218 2    402119 2      C-13-H3C(O)CH3
  131006.4032  0.0174 -7.3736 3  134.8450360  5951614042213 9 1    2116 5 1      C-13-H3C(O)CH3
  131006.8198  0.0094 -5.1000 3  441.1020324  595161404402218 3    402119 3      C-13-H3C(O)CH3
  131009.2828  0.0092 -5.1000 3  441.1020324  595161404402218 4    402119 4      C-13-H3C(O)CH3
  131017.7613  0.0128 -5.6699 3  163.4761180  5951614042222 0 4    2221 1 4      C-13-H3C(O)CH3
  131022.9792  0.0140 -7.0597 3  134.8255360  5951614042213 9 0    2116 6 0      C-13-H3C(O)CH3
  131057.7313  0.0055 -4.7989 3  441.1530648  595161404402218 0    402119 0      C-13-H3C(O)CH3
  131074.1390  0.0061 -4.7987 3  441.1301648  595161404402218 1    402119 1      C-13-H3C(O)CH3
  131077.9637  0.5663 -6.5410 3 1290.0999548  595161404684226 3    684127 3      C-13-H3C(O)CH3
  131087.6117  0.5936 -6.5410 3 1290.1001548  595161404684226 4    684127 4      C-13-H3C(O)CH3
  131095.2852  0.0144 -6.0206 3  457.6862648  595161404402713 1    402615 1      C-13-H3C(O)CH3
  131097.5985  0.0111 -5.6691 3  163.4191180  5951614042222 1 3    2221 2 3      C-13-H3C(O)CH3
  131098.2578  0.0030 -4.6952 3   90.6364328  59516140420 515 0    20 416 0      C-13-H3C(O)CH3
  131098.2585  0.0030 -4.6952 3   90.6364328  59516140420 615 0    20 516 0      C-13-H3C(O)CH3
  131162.0608  0.0041 -7.6330 3   91.3117296  5951614041812 7 1    18 9 9 1      C-13-H3C(O)CH3
  131173.7235  0.0033 -5.0621 3   78.6357156  59516140419 415 3    19 316 3      C-13-H3C(O)CH3
  131173.7236  0.0033 -5.0621 3   78.6357156  59516140419 515 3    19 416 3      C-13-H3C(O)CH3
  131173.8260  0.0040 -5.0621 3   78.6357156  59516140419 415 4    19 316 4      C-13-H3C(O)CH3
  131173.8261  0.0040 -5.0621 3   78.6357156  59516140419 515 4    19 416 4      C-13-H3C(O)CH3
  131231.9234  0.0020 -6.5582 3   12.5031 60  595161404 7 6 1 3     6 5 1 3      C-13-H3C(O)CH3
  131234.4692  0.0213 -6.4454 3  457.6728324  595161404402713 3    402615 3      C-13-H3C(O)CH3
  131250.0908  0.0115 -5.6685 3  163.4289180  5951614042222 0 3    2221 1 3      C-13-H3C(O)CH3
  131287.9493  0.1120 -5.4660 3  851.0119888  595161404553520 0    553421 0      C-13-H3C(O)CH3
  131291.8570  0.0064 -5.7599 3   82.6732280  5951614041712 5 1    17 9 8 1      C-13-H3C(O)CH3
  131299.4271  0.0074 -6.0698 3   57.3178232  5951614041411 4 0    1312 1 0      C-13-H3C(O)CH3
  131302.3361  0.0062 -7.5737 3   28.1183 84  59516140410 8 2 4    10 5 6 4      C-13-H3C(O)CH3
  131329.1952  0.0116 -5.6678 3  163.3720180  5951614042222 1 4    2221 2 4      C-13-H3C(O)CH3
  131340.6129  0.0116 -5.3673 3  163.4912360  5951614042222 0 1    2221 1 1      C-13-H3C(O)CH3
  131362.0446  0.0037 -4.7593 3   78.5895312  59516140419 415 2    19 316 2      C-13-H3C(O)CH3
  131362.0447  0.0037 -4.7593 3   78.5895312  59516140419 515 2    19 416 2      C-13-H3C(O)CH3
  131362.9237  0.0107 -5.3673 3  163.5093360  5951614042222 0 2    2221 1 2      C-13-H3C(O)CH3
  131366.0287  0.0038 -4.7595 3   78.5901312  59516140419 415 1    19 316 1      C-13-H3C(O)CH3
  131366.0288  0.0038 -4.7595 3   78.5901312  59516140419 515 1    19 416 1      C-13-H3C(O)CH3
  131390.5500  0.0066 -5.7495 3   82.6675280  5951614041712 5 2    17 9 8 2      C-13-H3C(O)CH3
  131408.2963  0.0051 -5.7106 3   82.6395280  5951614041712 5 0    17 9 8 0      C-13-H3C(O)CH3
  131442.1089  0.0118 -5.3665 3  163.4522360  5951614042222 1 2    2221 2 2      C-13-H3C(O)CH3
  131450.6742  0.0087 -7.6251 3   29.6269 84  59516140410 9 2 4    10 6 5 4      C-13-H3C(O)CH3
  131463.9451  0.0109 -5.1373 3  396.1599300  595161404372612 4    372513 4      C-13-H3C(O)CH3
  131473.2722  0.0077 -6.0699 3   57.3758232  5951614041411 3 2    1312 1 2      C-13-H3C(O)CH3
  131474.1298  0.0280 -5.7471 3  457.6877648  595161404402713 2    402615 2      C-13-H3C(O)CH3
  131501.2050  0.0065 -5.0396 3  287.3999252  5951614043124 7 3    3123 8 3      C-13-H3C(O)CH3
  131502.6518  0.0093 -6.0948 3   32.3735 92  59516140411 7 4 4    10 8 3 4      C-13-H3C(O)CH3
  131508.7919  0.0298 -7.4717 3  287.4340504  5951614043124 8 2    3123 8 2      C-13-H3C(O)CH3
  131510.0745  0.0130 -7.3465 3   36.7057184  5951614041110 2 1    11 7 4 1      C-13-H3C(O)CH3
  131528.7526  0.0097 -4.8815 3  396.1815600  595161404372612 1    372513 1      C-13-H3C(O)CH3
  131529.3595  0.0037 -5.1537 3   67.1540148  59516140418 315 3    18 216 3      C-13-H3C(O)CH3
  131529.3595  0.0037 -5.1537 3   67.1540148  59516140418 415 3    18 316 3      C-13-H3C(O)CH3
  131529.5138  0.0044 -5.1537 3   67.1540148  59516140418 415 4    18 316 4      C-13-H3C(O)CH3
  131529.5138  0.0044 -5.1537 3   67.1540148  59516140418 315 4    18 216 4      C-13-H3C(O)CH3
  131553.9352  0.0035 -4.7577 3   78.5440312  59516140419 515 0    19 416 0      C-13-H3C(O)CH3
  131553.9352  0.0035 -4.7577 3   78.5440312  59516140419 415 0    19 316 0      C-13-H3C(O)CH3
  131562.3529  0.0077 -5.0393 3  287.4068252  5951614043124 7 4    3123 8 4      C-13-H3C(O)CH3
  131565.2497  0.0075 -6.0678 3   57.3178232  5951614041411 3 0    1312 2 0      C-13-H3C(O)CH3
  131572.5654  0.0116 -5.3660 3  163.4440360  5951614042222 1 1    2221 2 1      C-13-H3C(O)CH3
  131577.3818  0.0026 -4.8795 3  239.3189244  595161404301416 3    301317 3      C-13-H3C(O)CH3
  131577.5318  0.0029 -4.8795 3  239.3189244  595161404301416 4    301317 4      C-13-H3C(O)CH3
  131578.2281  0.0100 -4.8491 3  396.1846600  595161404372612 2    372513 2      C-13-H3C(O)CH3
  131591.4714  0.0025 -4.5782 3  239.3341488  595161404301416 2    301317 2      C-13-H3C(O)CH3
  131591.6043  0.0021 -5.0160 3   12.4269 60  595161404 7 6 2 4     6 5 2 4      C-13-H3C(O)CH3
  131592.0419  0.0135 -5.1605 3  396.1650300  595161404372612 3    372513 3      C-13-H3C(O)CH3
  131602.9794  0.0093 -6.7797 3   86.9456148  59516140418 9 9 4    1712 6 4      C-13-H3C(O)CH3
  131603.6672  0.0069 -5.0386 3  287.3833252  5951614043124 8 4    3123 9 4      C-13-H3C(O)CH3
  131605.3491  0.0090 -6.1186 3   82.7018140  5951614041712 5 4    17 9 8 4      C-13-H3C(O)CH3
  131607.4518  0.0026 -4.8793 3  239.3190244  595161404301516 3    301417 3      C-13-H3C(O)CH3
  131607.5038  0.0029 -4.8793 3  239.3190244  595161404301516 4    301417 4      C-13-H3C(O)CH3
  131614.9238  0.0025 -4.5782 3  239.3371488  595161404301416 1    301317 1      C-13-H3C(O)CH3
  131622.0481  0.0025 -4.5780 3  239.3342488  595161404301516 2    301417 2      C-13-H3C(O)CH3
  131628.9963  0.0023 -4.5779 3  239.3523488  595161404301416 0    301317 0      C-13-H3C(O)CH3
  131633.3464  0.0061 -4.7380 3  287.4262504  5951614043124 7 1    3123 8 1      C-13-H3C(O)CH3
  131641.9391  0.0081 -6.0680 3   57.3701232  5951614041411 3 1    1312 1 1      C-13-H3C(O)CH3
  131644.3950  0.0025 -4.5780 3  239.3372488  595161404301516 1    301417 1      C-13-H3C(O)CH3
  131658.9853  0.0023 -4.5777 3  239.3524488  595161404301516 0    301417 0      C-13-H3C(O)CH3
  131660.6545  0.0028 -4.8474 3   12.4465120  595161404 7 6 1 2     6 5 1 2      C-13-H3C(O)CH3
  131662.5235  0.0026 -4.8218 3   12.4474120  595161404 7 6 1 1     6 5 1 1      C-13-H3C(O)CH3
  131663.0099  0.0069 -4.7859 3  396.2038600  595161404372612 0    372513 0      C-13-H3C(O)CH3
  131664.4844  0.0066 -5.0388 3  287.3901252  5951614043124 8 3    3123 9 3      C-13-H3C(O)CH3
  131671.3428  0.0104 -6.3670 3   57.4283116  5951614041411 3 4    1312 1 4      C-13-H3C(O)CH3
  131675.2880  0.0033 -4.6826 3  354.5390584  595161404362017 0    361918 0      C-13-H3C(O)CH3
  131677.1095  0.0038 -4.6825 3  354.5106584  595161404362017 2    361918 2      C-13-H3C(O)CH3
  131687.5912  0.0119 -5.3658 3  163.5243360  5951614042222 0 0    2221 1 0      C-13-H3C(O)CH3
  131687.5912  0.0119 -5.3658 3  163.5243360  5951614042222 1 0    2221 2 0      C-13-H3C(O)CH3
  131697.5578  0.0115 -5.0230 3  594.8328744  595161404462918 0    462819 0      C-13-H3C(O)CH3
  131705.4416  0.0037 -4.6825 3  354.5151584  595161404362017 1    361918 1      C-13-H3C(O)CH3
  131707.2721  0.0040 -4.9834 3  354.4867292  595161404362017 4    361918 4      C-13-H3C(O)CH3
  131707.4771  0.0039 -4.9834 3  354.4867292  595161404362017 3    361918 3      C-13-H3C(O)CH3
  131713.7590  0.0061 -4.7381 3  287.4271504  5951614043124 8 2    3123 9 2      C-13-H3C(O)CH3
  131733.3909  0.0060 -4.7373 3  287.4096504  5951614043124 8 1    3123 9 1      C-13-H3C(O)CH3
  131735.9963  0.0177 -7.1385 3   57.3502116  5951614041411 4 3    1312 1 3      C-13-H3C(O)CH3
  131736.8395  0.0044 -4.8508 3   67.0993296  59516140418 415 2    18 316 2      C-13-H3C(O)CH3
  131736.8395  0.0044 -4.8508 3   67.0993296  59516140418 315 2    18 216 2      C-13-H3C(O)CH3
  131739.5060  0.0045 -4.8509 3   67.0998296  59516140418 315 1    18 216 1      C-13-H3C(O)CH3
  131739.5060  0.0045 -4.8509 3   67.0998296  59516140418 415 1    18 316 1      C-13-H3C(O)CH3
  131741.6123  0.0074 -5.1118 3  226.7218220  5951614042723 5 3    2722 5 3      C-13-H3C(O)CH3
  131743.7064  0.0018 -5.0082 3   12.5274 60  595161404 7 6 1 4     6 5 1 4      C-13-H3C(O)CH3
  131746.0278  0.0090 -5.1122 3  226.7526220  5951614042723 4 4    2722 5 4      C-13-H3C(O)CH3
  131770.2169  0.2594 -6.2578 3 1137.7339516  595161404643826 3    643727 3      C-13-H3C(O)CH3
  131773.0473  0.0364 -6.6692 3  339.4273276  595161404342510 3    342410 3      C-13-H3C(O)CH3
  131774.2112  0.2573 -6.2578 3 1137.7340516  595161404643826 4    643727 4      C-13-H3C(O)CH3
  131775.8763  0.0060 -4.7381 3  287.4340504  5951614043124 7 2    3123 8 2      C-13-H3C(O)CH3
  131821.4597  0.0062 -6.8583 3  243.7284504  595161404311219 1    301516 1      C-13-H3C(O)CH3
  131823.0555  0.0101 -5.0225 3  594.8219744  595161404462918 1    462819 1      C-13-H3C(O)CH3
  131829.3892  0.0042 -5.2970 3   56.2679140  59516140417 315 3    17 216 3      C-13-H3C(O)CH3
  131829.3892  0.0042 -5.2970 3   56.2679140  59516140417 215 3    17 116 3      C-13-H3C(O)CH3
  131829.6049  0.0049 -5.2971 3   56.2680140  59516140417 315 4    17 216 4      C-13-H3C(O)CH3
  131829.6049  0.0049 -5.2980 3   56.2680140  59516140417 215 4    17 116 4      C-13-H3C(O)CH3
  131832.7882  0.0381 -5.9551 3  457.6685324  595161404402713 4    402615 4      C-13-H3C(O)CH3
  131833.2861  0.0073 -6.0673 3   57.2978232  5951614041411 4 2    1312 2 2      C-13-H3C(O)CH3
  131833.5304  0.0053 -6.8548 3  243.7440504  595161404311219 0    301516 0      C-13-H3C(O)CH3
  131837.6699  0.0062 -4.7370 3  287.4535504  5951614043124 7 0    3123 8 0      C-13-H3C(O)CH3
  131842.7168  0.0159 -5.4916 3  396.1815600  595161404372611 1    372513 1      C-13-H3C(O)CH3
  131853.4212  0.0062 -6.8581 3  243.7273504  595161404311319 1    301416 1      C-13-H3C(O)CH3
  131854.0403  0.0063 -7.1598 3  243.7090252  595161404311219 4    301516 4      C-13-H3C(O)CH3
  131854.2068  0.0059 -7.1598 3  243.7090252  595161404311219 3    301516 3      C-13-H3C(O)CH3
  131854.8941  0.0062 -4.7368 3  287.4529504  5951614043124 8 0    3123 9 0      C-13-H3C(O)CH3
  131866.0499  0.0053 -6.8546 3  243.7430504  595161404311319 0    301416 0      C-13-H3C(O)CH3
  131866.3436  0.0062 -6.8552 3  243.7246504  595161404311219 2    301516 2      C-13-H3C(O)CH3
  131881.4322  0.0142 -7.3449 3   36.7021184  5951614041110 2 2    11 7 4 2      C-13-H3C(O)CH3
  131886.5669  0.0063 -7.1595 3  243.7079252  595161404311319 4    301416 4      C-13-H3C(O)CH3
  131886.8430  0.0059 -7.1595 3  243.7079252  595161404311319 3    301416 3      C-13-H3C(O)CH3
  131888.6862  0.0100 -6.4460 3   57.3451116  5951614041411 4 3    1312 2 3      C-13-H3C(O)CH3
  131895.7067  0.0051 -4.8240 3  465.4044664  595161404412418 0    412319 0      C-13-H3C(O)CH3
  131899.5255  0.0062 -6.8550 3  243.7235504  595161404311319 2    301416 2      C-13-H3C(O)CH3
  131904.3679  0.0080 -5.1108 3  226.6897220  5951614042723 5 4    2722 6 4      C-13-H3C(O)CH3
  131906.0575  0.0143 -5.0224 3  594.8192744  595161404462918 2    462819 2      C-13-H3C(O)CH3
  131907.8513  0.0076 -6.0667 3   57.2871232  5951614041411 4 1    1312 2 1      C-13-H3C(O)CH3
  131909.2976  0.0077 -5.1111 3  226.7205220  5951614042723 4 3    2722 6 3      C-13-H3C(O)CH3
  131917.1794  0.0089 -6.1405 3   46.8570216  59516140413 9 5 1    1210 2 1      C-13-H3C(O)CH3
  131920.0373  0.1093 -5.4642 3  851.0070888  595161404553520 1    553421 1      C-13-H3C(O)CH3
  131923.8068  0.0340 -6.1122 3  339.4239276  595161404342510 4    342410 4      C-13-H3C(O)CH3
  131927.3350  0.0054 -4.8237 3  465.3780664  595161404412418 2    412319 2      C-13-H3C(O)CH3
  131928.5922  0.0085 -6.1188 3   46.8580216  59516140413 9 5 2    1210 2 2      C-13-H3C(O)CH3
  131937.4777  0.0053 -4.8237 3  465.3829664  595161404412418 1    412319 1      C-13-H3C(O)CH3
  131940.3032  0.0072 -4.8102 3  226.7684440  5951614042723 4 1    2722 5 1      C-13-H3C(O)CH3
  131946.5201  0.0043 -4.8489 3   67.0453296  59516140418 315 0    18 216 0      C-13-H3C(O)CH3
  131946.5201  0.0043 -4.8489 3   67.0453296  59516140418 415 0    18 316 0      C-13-H3C(O)CH3
  131949.5772  0.0380 -6.0764 3  438.1224316  595161404392713 4    392613 4      C-13-H3C(O)CH3
  131961.7781  0.0028 -4.8254 3   12.3790120  595161404 7 6 2 1     6 5 2 1      C-13-H3C(O)CH3
  131967.1703  0.0303 -6.1396 3  339.4542552  595161404342510 2    342410 2      C-13-H3C(O)CH3
  131967.7750  0.0052 -5.1244 3  465.3565332  595161404412418 4    412319 4      C-13-H3C(O)CH3
  131970.4603  0.0051 -5.1244 3  465.3566332  595161404412418 3    412319 3      C-13-H3C(O)CH3
  131980.8434  0.0290 -7.4691 3  287.4271504  5951614043124 7 2    3123 9 2      C-13-H3C(O)CH3
  131989.7140  0.0115 -5.3240 3  594.8079372  595161404462918 4    462819 4      C-13-H3C(O)CH3
  132012.3059  0.0034 -4.8507 3   12.3812120  595161404 7 6 2 2     6 5 2 2      C-13-H3C(O)CH3
  132024.1787  0.0072 -4.8096 3  226.7513440  5951614042723 5 2    2722 6 2      C-13-H3C(O)CH3
  132026.2927  0.0323 -5.8936 3  396.1650300  595161404372611 3    372513 3      C-13-H3C(O)CH3
  132030.2377  0.0068 -4.8099 3  226.7822440  5951614042723 4 2    2722 5 2      C-13-H3C(O)CH3
  132038.2826  0.0173 -5.6917 3  339.4411552  595161404342510 1    342410 1      C-13-H3C(O)CH3
  132039.7076  0.1790 -5.4642 3  851.0049888  595161404553520 2    553421 2      C-13-H3C(O)CH3
  132042.4491  0.1977 -5.9558 3 1137.7356A32  595161404643826 1    643727 1      C-13-H3C(O)CH3
  132055.1868  0.0079 -5.0574 3  339.4273276  5951614043425 9 3    342410 3      C-13-H3C(O)CH3
  132055.7780  0.0052 -4.9938 3   56.2045280  59516140417 215 2    17 116 2      C-13-H3C(O)CH3
  132055.7780  0.0052 -4.9938 3   56.2045280  59516140417 315 2    17 216 2      C-13-H3C(O)CH3
  132057.2271  0.0053 -4.9940 3   56.2050280  59516140417 315 1    17 216 1      C-13-H3C(O)CH3
  132057.2271  0.0053 -4.9940 3   56.2050280  59516140417 215 1    17 116 1      C-13-H3C(O)CH3
  132061.9341  0.0146 -7.6497 3   36.7572 92  5951614041110 2 3    11 7 4 3      C-13-H3C(O)CH3
  132071.6830  0.0153 -5.3220 3  594.8088372  595161404462918 3    462819 3      C-13-H3C(O)CH3
  132080.4112  0.0047 -7.1877 3   45.9791132  59516140416 115 3    16 116 3      C-13-H3C(O)CH3
  132080.4112  0.0047 -5.5761 3   45.9791132  59516140416 215 3    16 116 3      C-13-H3C(O)CH3
  132080.4112  0.0047 -5.5761 3   45.9791132  59516140416 115 3    16 016 3      C-13-H3C(O)CH3
  132080.4112  0.0047 -7.1871 3   45.9791132  59516140416 215 3    16 016 3      C-13-H3C(O)CH3
  132080.6969  0.0054 -6.8810 3   45.9791132  59516140416 115 4    16 116 4      C-13-H3C(O)CH3
  132080.6969  0.0054 -5.5871 3   45.9791132  59516140416 215 4    16 116 4      C-13-H3C(O)CH3
  132080.6969  0.0054 -6.8812 3   45.9791132  59516140416 215 4    16 016 4      C-13-H3C(O)CH3
  132080.6969  0.0054 -5.5871 3   45.9791132  59516140416 115 4    16 016 4      C-13-H3C(O)CH3
  132091.0707  0.0077 -4.7981 3  339.4411552  5951614043425 9 1    342410 1      C-13-H3C(O)CH3
  132097.6146  0.2676 -5.9556 3 1137.7428A32  595161404643826 2    643727 2      C-13-H3C(O)CH3
  132101.9984  0.0072 -4.8092 3  226.7363440  5951614042723 5 1    2722 6 1      C-13-H3C(O)CH3
  132102.9926  0.0020 -6.5576 3   12.4512 60  595161404 7 6 2 3     6 5 2 3      C-13-H3C(O)CH3
  132105.4220  0.0094 -5.0857 3  339.4239276  5951614043425 9 4    342410 4      C-13-H3C(O)CH3
  132108.0345  0.0093 -6.4437 3   57.3502116  5951614041411 3 3    1312 1 3      C-13-H3C(O)CH3
  132185.6488  0.0092 -5.0855 3  339.4152276  595161404342510 4    342411 4      C-13-H3C(O)CH3
  132186.3369  0.0156 -7.3303 3  134.7938360  5951614042213 9 2    2116 6 2      C-13-H3C(O)CH3
  132199.2085  0.0072 -4.7632 3  339.4542552  5951614043425 9 2    342410 2      C-13-H3C(O)CH3
  132208.1542  0.0064 -4.7455 3  339.4689552  5951614043425 9 0    342410 0      C-13-H3C(O)CH3
  132224.6356  0.0075 -4.8089 3  226.7978440  5951614042723 4 0    2722 5 0      C-13-H3C(O)CH3
  132224.8396  0.0075 -4.8089 3  226.7978440  5951614042723 5 0    2722 6 0      C-13-H3C(O)CH3
  132234.7920  0.0079 -5.0565 3  339.4119276  595161404342510 3    342411 3      C-13-H3C(O)CH3
  132237.3374  0.0079 -4.7971 3  339.4345552  595161404342510 1    342411 1      C-13-H3C(O)CH3
  132243.1591  0.0483 -7.0632 3  734.8013824  595161404513319 1    513219 1      C-13-H3C(O)CH3
  132244.9075  0.0130 -7.5865 3   36.7572 92  5951614041110 1 3    11 7 4 3      C-13-H3C(O)CH3
  132247.0699  0.0088 -7.2324 3  498.5872680  595161404422715 2    422617 2      C-13-H3C(O)CH3
  132258.1276  0.4775 -6.1033 3 1216.9738A64  595161404664125 0    664026 0      C-13-H3C(O)CH3
  132260.7244  0.0187 -7.1351 3   57.3451116  5951614041411 3 3    1312 2 3      C-13-H3C(O)CH3
  132283.0964  0.0051 -4.9924 3   56.1418280  59516140417 315 0    17 216 0      C-13-H3C(O)CH3
  132283.0964  0.0051 -4.9924 3   56.1418280  59516140417 215 0    17 116 0      C-13-H3C(O)CH3
  132290.1255  0.0164 -5.6903 3  339.4345552  5951614043425 9 1    342411 1      C-13-H3C(O)CH3
  132292.7482  0.0322 -5.6547 3  396.1846600  595161404372611 2    372513 2      C-13-H3C(O)CH3
  132296.9112  0.0137 -6.6139 3   74.3006132  5951614041612 5 4    16 9 7 4      C-13-H3C(O)CH3
  132319.6556  0.0087 -6.3629 3   57.2671116  5951614041411 4 4    1312 2 4      C-13-H3C(O)CH3
  132325.3389  0.0061 -5.2654 3   45.9068264  59516140416 115 2    16 016 2      C-13-H3C(O)CH3
  132325.3389  0.0061 -7.4119 3   45.9068264  59516140416 115 2    16 116 2      C-13-H3C(O)CH3
  132325.3389  0.0061 -7.4115 3   45.9068264  59516140416 215 2    16 016 2      C-13-H3C(O)CH3
  132325.3389  0.0061 -5.2654 3   45.9068264  59516140416 215 2    16 116 2      C-13-H3C(O)CH3
  132325.6670  0.0062 -5.2663 3   45.9073264  59516140416 215 1    16 116 1      C-13-H3C(O)CH3
  132325.6670  0.0062 -7.3209 3   45.9073264  59516140416 115 1    16 116 1      C-13-H3C(O)CH3
  132325.6670  0.0062 -7.3200 3   45.9073264  59516140416 215 1    16 016 1      C-13-H3C(O)CH3
  132325.6670  0.0062 -5.2663 3   45.9073264  59516140416 115 1    16 016 1      C-13-H3C(O)CH3
  132326.2106  0.0072 -4.7627 3  339.4422552  595161404342510 2    342411 2      C-13-H3C(O)CH3
  132356.0332  0.0063 -4.7445 3  339.4635552  595161404342510 0    342411 0      C-13-H3C(O)CH3
  132356.7840  0.0710 -6.8539 3  734.7996824  595161404513319 2    513219 2      C-13-H3C(O)CH3
  132361.1136  0.0301 -5.6571 3  438.1356632  595161404392713 2    392613 2      C-13-H3C(O)CH3
  132367.2639  0.0365 -6.1089 3  339.4152276  5951614043425 9 4    342411 4      C-13-H3C(O)CH3
  132372.9367  0.0082 -7.6261 3  243.3163244  595161404301615 4    291910 4      C-13-H3C(O)CH3
  132373.8966  0.2043 -5.9545 3 1137.7443A32  595161404643826 0    643727 0      C-13-H3C(O)CH3
  132376.7655  0.0098 -4.9912 3  572.1290728  595161404452917 0    452818 0      C-13-H3C(O)CH3
  132389.7278  0.0094 -7.6245 3  243.3157244  595161404301615 3    291910 3      C-13-H3C(O)CH3
  132406.6255  0.0134 -7.1530 3  498.5707340  595161404422715 4    422617 4      C-13-H3C(O)CH3
  132408.0826  0.0596 -6.7751 3  734.7998412  595161404513319 4    513219 4      C-13-H3C(O)CH3
  132436.4098  0.0087 -7.3166 3  243.3297488  595161404301615 2    291910 2      C-13-H3C(O)CH3
  132460.2690  0.0403 -6.0526 3  396.1599300  595161404372611 4    372513 4      C-13-H3C(O)CH3
  132460.8037  0.0087 -7.3203 3  243.3336488  595161404301615 1    291910 1      C-13-H3C(O)CH3
  132478.5093  0.0086 -4.9925 3  572.1186728  595161404452917 1    452818 1      C-13-H3C(O)CH3
  132514.2888  0.0192 -7.5399 3  134.8016180  5951614042213 9 3    2116 6 3      C-13-H3C(O)CH3
  132516.9316  0.0373 -6.6641 3  339.4119276  5951614043425 9 3    342411 3      C-13-H3C(O)CH3
  132517.6425  0.0085 -7.3126 3  243.3472488  595161404301615 0    291910 0      C-13-H3C(O)CH3
  132520.9630  0.0107 -6.1549 3   39.3747100  59516140412 8 4 4    11 9 2 4      C-13-H3C(O)CH3
  132526.1054  0.0161 -5.5711 3  438.1263632  595161404392713 1    392613 1      C-13-H3C(O)CH3
  132558.2488  0.0319 -6.1354 3  339.4422552  5951614043425 9 2    342411 2      C-13-H3C(O)CH3
  132566.0360  0.0128 -4.9944 3  572.1173728  595161404452917 2    452818 2      C-13-H3C(O)CH3
  132570.0193  0.0061 -5.2605 3   45.8351264  59516140416 215 0    16 116 0      C-13-H3C(O)CH3
  132570.0193  0.0061 -5.2623 3   45.8351264  59516140416 115 0    16 016 0      C-13-H3C(O)CH3
  132570.0193  0.0061 -7.5909 3   45.8351264  59516140416 215 0    16 016 0      C-13-H3C(O)CH3
  132571.0454  0.0122 -5.3018 3  572.1060364  595161404452917 4    452818 4      C-13-H3C(O)CH3
  132577.7948  0.1591 -5.7602 3  850.9993444  595161404553520 3    553421 3      C-13-H3C(O)CH3
  132632.9406  0.0164 -5.2638 3  502.7149340  595161404422815 4    422716 4      C-13-H3C(O)CH3
  132686.9467  0.0302 -5.9528 3  438.1141316  595161404392713 3    392613 3      C-13-H3C(O)CH3
  132754.2192  0.1909 -5.7665 3  851.0014444  595161404553520 4    553421 4      C-13-H3C(O)CH3
  132766.0447  0.0090 -4.9206 3  502.7300680  595161404422815 1    422716 1      C-13-H3C(O)CH3
  132767.8128  0.0162 -5.2907 3  572.1078364  595161404452917 3    452818 3      C-13-H3C(O)CH3
  132770.8178  0.6016 -6.1008 3 1216.9699A64  595161404664125 2    664026 2      C-13-H3C(O)CH3
  132785.5628  0.0027 -4.9574 3   12.4512 60  595161404 7 6 1 3     6 5 2 3      C-13-H3C(O)CH3
  132789.9160  0.0083 -4.8992 3  502.7436680  595161404422815 0    422716 0      C-13-H3C(O)CH3
  132794.0452  0.0135 -4.9413 3  502.7309680  595161404422815 2    422716 2      C-13-H3C(O)CH3
  132808.4058  0.6000 -6.8083 3 1603.7744C24  595161404764630 0    764531 0      C-13-H3C(O)CH3
  132835.8168  0.0056 -5.7125 3   46.7922216  59516140413 9 5 0    1210 2 0      C-13-H3C(O)CH3
  132840.4894  0.5386 -6.8082 3 1603.7759C24  595161404764630 2    764531 2      C-13-H3C(O)CH3
  132867.9055  0.0092 -7.3407 3   29.5726168  59516140410 9 2 1    10 6 5 1      C-13-H3C(O)CH3
  132922.8738  0.0160 -7.3238 3  134.7811360  5951614042213 9 1    2116 6 1      C-13-H3C(O)CH3
  132940.4177  0.0029 -6.0365 3    6.8487 52  595161404 6 3 3 3     5 2 4 3      C-13-H3C(O)CH3
  132965.4045  0.0083 -4.8285 3  438.1430632  595161404392712 0    392613 0      C-13-H3C(O)CH3
  132970.1615  0.0034 -6.0367 3    6.8486 52  595161404 6 3 3 4     5 2 4 4      C-13-H3C(O)CH3
  132976.2843  0.0024 -4.8646 3  221.3733236  595161404291316 3    291217 3      C-13-H3C(O)CH3
  132976.3498  0.0028 -4.8646 3  221.3733236  595161404291316 4    291217 4      C-13-H3C(O)CH3
  132986.4118  0.0024 -4.8645 3  221.3733236  595161404291416 3    291317 3      C-13-H3C(O)CH3
  132986.4370  0.0027 -4.8645 3  221.3733236  595161404291416 4    291317 4      C-13-H3C(O)CH3
  133005.2843  0.0023 -4.5632 3  221.3853472  595161404291316 2    291217 2      C-13-H3C(O)CH3
  133006.6952  0.0169 -7.5557 3  253.9955488  595161404301911 0    2922 8 0      C-13-H3C(O)CH3
  133015.6110  0.0023 -4.5631 3  221.3853472  595161404291416 2    291317 2      C-13-H3C(O)CH3
  133017.7883  0.4464 -6.0996 3 1216.9610A64  595161404664125 1    664026 1      C-13-H3C(O)CH3
  133025.3658  0.0024 -4.5632 3  221.3879472  595161404291316 1    291217 1      C-13-H3C(O)CH3
  133027.6262  0.0033 -5.7335 3    6.7761104  595161404 6 3 3 2     5 2 4 2      C-13-H3C(O)CH3
  133033.4167  0.0137 -5.2091 3  502.7194340  595161404422815 3    422716 3      C-13-H3C(O)CH3
  133035.2879  0.0024 -4.5631 3  221.3879472  595161404291416 1    291317 1      C-13-H3C(O)CH3
  133054.3172  0.0022 -4.5627 3  221.3998472  595161404291316 0    291217 0      C-13-H3C(O)CH3
  133058.9525  0.0032 -5.7339 3    6.7766104  595161404 6 3 3 1     5 2 4 1      C-13-H3C(O)CH3
  133061.5347  0.0024 -4.6420 3   12.3248120  595161404 7 6 1 0     6 5 2 0      C-13-H3C(O)CH3
  133062.3284  0.0088 -5.9337 3   39.3023200  59516140412 8 4 2    11 9 2 2      C-13-H3C(O)CH3
  133064.4437  0.0022 -4.5627 3  221.3999472  595161404291416 0    291317 0      C-13-H3C(O)CH3
  133079.2437  0.0127 -4.9148 3  438.1263632  595161404392712 1    392613 1      C-13-H3C(O)CH3
  133081.3317  0.5504 -6.8068 3 1603.7502C24  595161404764630 1    764531 1      C-13-H3C(O)CH3
  133112.5384  0.3514 -7.1077 3 1603.7517612  595161404764630 4    764531 4      C-13-H3C(O)CH3
  133115.6080  0.3495 -7.1077 3 1603.7518612  595161404764630 3    764531 3      C-13-H3C(O)CH3
  133123.1221  0.0106 -7.3444 3   29.5718168  59516140410 9 2 2    10 6 5 2      C-13-H3C(O)CH3
  133131.5461  0.0030 -5.7318 3    6.7042104  595161404 6 3 3 0     5 2 4 0      C-13-H3C(O)CH3
  133150.7864  0.0090 -5.9190 3   39.3025200  59516140412 8 4 1    11 9 2 1      C-13-H3C(O)CH3
  133177.0046  0.0056 -7.6574 3   14.8005136  595161404 8 4 4 2     8 1 7 2      C-13-H3C(O)CH3
  133182.0061  0.0186 -5.1991 3  438.1141316  595161404392712 3    392613 3      C-13-H3C(O)CH3
  133191.4191  0.0086 -6.1592 3   46.8574108  59516140413 9 5 3    1210 2 3      C-13-H3C(O)CH3
  133224.6067  0.0055 -7.6597 3   14.8010136  595161404 8 4 4 1     8 1 7 1      C-13-H3C(O)CH3
  133337.1289  0.0148 -4.8966 3  438.1356632  595161404392712 2    392613 2      C-13-H3C(O)CH3
  133366.2013  0.0051 -7.6526 3   14.7309136  595161404 8 4 4 0     8 1 7 0      C-13-H3C(O)CH3
  133394.2145  0.0100 -5.1690 3  213.9448212  5951614042623 3 4    2622 4 4      C-13-H3C(O)CH3
  133416.5719  0.0083 -5.1686 3  213.9082212  5951614042623 4 3    2622 5 3      C-13-H3C(O)CH3
  133421.4734  0.0144 -5.1794 3  438.1224316  595161404392712 4    392613 4      C-13-H3C(O)CH3
  133432.9628  0.0091 -6.5455 3   46.8494108  59516140413 9 5 3    1210 3 3      C-13-H3C(O)CH3
  133449.6329  0.0107 -7.5993 3   29.6280 84  59516140410 9 2 3    10 6 5 3      C-13-H3C(O)CH3
  133491.0246  0.0037 -4.6507 3  333.1118568  595161404351817 2    351718 2      C-13-H3C(O)CH3
  133504.7948  0.0031 -4.6507 3  333.1395568  595161404351817 0    351718 0      C-13-H3C(O)CH3
  133516.6926  0.0040 -4.9516 3  333.0882284  595161404351817 3    351718 3      C-13-H3C(O)CH3
  133517.3461  0.0040 -4.9516 3  333.0882284  595161404351817 4    351718 4      C-13-H3C(O)CH3
  133522.0009  0.5119 -6.3981 3 1216.9572532  595161404664125 3    664026 3      C-13-H3C(O)CH3
  133530.3774  0.0036 -4.6506 3  333.1160568  595161404351817 1    351718 1      C-13-H3C(O)CH3
  133532.1593  0.0118 -7.0157 3   36.6494184  5951614041110 1 0    11 7 4 0      C-13-H3C(O)CH3
  133540.2814  0.5444 -6.3983 3 1216.9575532  595161404664125 4    664026 4      C-13-H3C(O)CH3
  133582.9756  0.0087 -5.1679 3  213.9104212  5951614042623 3 3    2622 4 3      C-13-H3C(O)CH3
  133593.4304  0.0096 -7.0731 3  523.9310696  595161404432815 1    432717 1      C-13-H3C(O)CH3
  133596.6817  0.0400 -6.0625 3  482.1805332  595161404412814 4    412714 4      C-13-H3C(O)CH3
  133604.6146  0.0090 -5.1674 3  213.8739212  5951614042623 4 4    2622 5 4      C-13-H3C(O)CH3
  133616.9117  0.0077 -5.0693 3   12.3812120  595161404 7 6 1 2     6 5 2 2      C-13-H3C(O)CH3
  133626.1255  0.0082 -4.8669 3  213.9616424  5951614042623 3 1    2622 4 1      C-13-H3C(O)CH3
  133643.0694  0.0111 -6.3789 3   74.2666264  5951614041612 5 1    16 9 7 1      C-13-H3C(O)CH3
  133664.6270  0.0043 -6.5712 3  148.6936392  595161404241014 1    231311 1      C-13-H3C(O)CH3
  133681.3602  0.0042 -6.8736 3  148.6949196  595161404241014 3    231311 3      C-13-H3C(O)CH3
  133684.3087  0.0050 -6.8736 3  148.6948196  595161404241014 4    231311 4      C-13-H3C(O)CH3
  133694.0552  0.0077 -4.8667 3  213.9772424  5951614042623 3 2    2622 4 2      C-13-H3C(O)CH3
  133696.9597  0.0040 -6.5666 3  148.6881392  595161404241014 0    231311 0      C-13-H3C(O)CH3
  133697.2590  0.0156 -7.6725 3  215.3107228  595161404281613 4    2719 8 4      C-13-H3C(O)CH3
  133710.7217  0.0068 -5.1169 3   12.3790120  595161404 7 6 1 1     6 5 2 1      C-13-H3C(O)CH3
  133715.0398  0.0083 -4.8663 3  213.9406424  5951614042623 4 2    2622 5 2      C-13-H3C(O)CH3
  133715.2420  0.0043 -6.5680 3  148.6894392  595161404241014 2    231311 2      C-13-H3C(O)CH3
  133720.1802  0.0750 -5.3544 3  791.8230856  595161404533419 0    533320 0      C-13-H3C(O)CH3
  133782.5269  0.0177 -6.6699 3  523.9300696  595161404432815 2    432717 2      C-13-H3C(O)CH3
  133813.6350  0.0082 -4.8658 3  213.9272424  5951614042623 4 1    2622 5 1      C-13-H3C(O)CH3
  133833.3730  0.0113 -7.2649 3  215.3165456  595161404281613 2    2719 8 2      C-13-H3C(O)CH3
  133842.9011  0.2170 -6.0617 3 1033.3847492  595161404613625 3    613526 3      C-13-H3C(O)CH3
  133847.5539  0.2152 -6.0617 3 1033.3848492  595161404613625 4    613526 4      C-13-H3C(O)CH3
  133853.8094  0.0126 -7.2865 3   36.7057184  5951614041110 1 1    11 7 4 1      C-13-H3C(O)CH3
  133895.0800  0.0035 -4.6482 3  333.1134568  595161404351917 2    351818 2      C-13-H3C(O)CH3
  133899.0852  0.0031 -4.6483 3  333.1411568  595161404351917 0    351818 0      C-13-H3C(O)CH3
  133919.3504  0.0037 -4.9492 3  333.0898284  595161404351917 4    351818 4      C-13-H3C(O)CH3
  133919.3771  0.0037 -4.9492 3  333.0898284  595161404351917 3    351818 3      C-13-H3C(O)CH3
  133923.2339  0.0034 -4.6482 3  333.1175568  595161404351917 1    351818 1      C-13-H3C(O)CH3
  133925.0553  0.0031 -6.3822 3  104.8962328  59516140420 911 0    1912 8 0      C-13-H3C(O)CH3
  133926.7236  0.0084 -4.8656 3  213.9939424  5951614042623 3 0    2622 4 0      C-13-H3C(O)CH3
  133926.7481  0.0084 -4.8656 3  213.9939424  5951614042623 4 0    2622 5 0      C-13-H3C(O)CH3
  133930.2945  0.0076 -5.6150 3   39.2253200  59516140412 8 4 0    11 9 3 0      C-13-H3C(O)CH3
  133955.7998  0.0077 -5.9241 3   46.7903216  59516140413 9 5 2    1210 3 2      C-13-H3C(O)CH3
  133957.7782  0.0083 -7.1796 3  215.3281456  595161404281613 0    2719 8 0      C-13-H3C(O)CH3
  133962.4274  0.0108 -4.9994 3  590.3643744  595161404462819 0    462720 0      C-13-H3C(O)CH3
  133970.0289  0.0033 -6.3838 3  104.9109328  59516140420 911 2    1912 8 2      C-13-H3C(O)CH3
  133982.2255  0.0115 -7.3161 3  215.3169456  595161404281613 1    2719 8 1      C-13-H3C(O)CH3
  133983.2846  0.0066 -5.0494 3  272.5258244  5951614043024 6 3    3023 7 3      C-13-H3C(O)CH3
  133996.3221  0.0014 -4.9417 3   23.6311 84  59516140410 4 6 3     9 5 5 3      C-13-H3C(O)CH3
  133999.3726  0.0034 -6.3860 3  104.9127328  59516140420 911 1    1912 8 1      C-13-H3C(O)CH3
  134007.1649  0.0033 -6.6885 3  104.9287164  59516140420 911 3    1912 8 3      C-13-H3C(O)CH3
  134012.1749  0.0016 -4.9416 3   23.6308 84  59516140410 4 6 4     9 5 5 4      C-13-H3C(O)CH3
  134013.6900  0.0194 -7.6322 3  189.7478424  595161404261610 2    2519 6 2      C-13-H3C(O)CH3
  134014.9652  0.0094 -7.5553 3   74.2992132  5951614041612 5 3    16 9 7 3      C-13-H3C(O)CH3
  134023.1200  0.0080 -5.0495 3  272.5393244  5951614043024 6 4    3023 7 4      C-13-H3C(O)CH3
  134042.5429  0.0017 -4.6414 3   23.5706168  59516140410 4 6 2     9 5 5 2      C-13-H3C(O)CH3
  134043.4029  0.0124 -7.2914 3   36.7021184  5951614041110 1 2    11 7 4 2      C-13-H3C(O)CH3
  134046.8399  0.0102 -4.9989 3  590.3506744  595161404462819 1    462720 1      C-13-H3C(O)CH3
  134048.9051  0.0152 -5.1848 3  510.7891348  595161404432419 3    432320 3      C-13-H3C(O)CH3
  134052.0769  0.0153 -5.1847 3  510.7891348  595161404432419 4    432320 4      C-13-H3C(O)CH3
  134055.4958  0.0017 -4.6408 3   23.5714168  59516140410 4 6 1     9 5 5 1      C-13-H3C(O)CH3
  134071.1487  0.0145 -4.8837 3  510.8093696  595161404432419 2    432320 2      C-13-H3C(O)CH3
  134080.4761  0.0305 -5.6760 3  482.1887664  595161404412814 2    412714 2      C-13-H3C(O)CH3
  134080.7214  0.0279 -6.6131 3  523.9157348  595161404432815 4    432717 4      C-13-H3C(O)CH3
  134081.5863  0.0097 -4.9987 3  590.3467744  595161404462819 2    462720 2      C-13-H3C(O)CH3
  134082.1638  0.0033 -6.6888 3  104.9263164  59516140420 911 4    1912 8 4      C-13-H3C(O)CH3
  134093.6632  0.0016 -4.6415 3   23.5113168  59516140410 4 6 0     9 5 5 0      C-13-H3C(O)CH3
  134096.6366  0.0116 -6.4020 3   74.2597264  5951614041612 5 2    16 9 7 2      C-13-H3C(O)CH3
  134112.0575  0.0073 -5.0486 3  272.5061244  5951614043024 7 4    3023 8 4      C-13-H3C(O)CH3
  134138.8272  0.0064 -4.7479 3  272.5584488  5951614043024 6 1    3023 7 1      C-13-H3C(O)CH3
  134146.1585  0.0034 -5.2722 3   11.4895 60  595161404 7 5 2 3     6 4 3 3      C-13-H3C(O)CH3
  134149.8505  0.0233 -7.6233 3  134.7478180  5951614042213 9 4    2116 6 4      C-13-H3C(O)CH3
  134152.0978  0.0068 -5.0487 3  272.5195244  5951614043024 7 3    3023 8 3      C-13-H3C(O)CH3
  134156.9626  0.0071 -5.2993 3  590.3329372  595161404462819 4    462720 4      C-13-H3C(O)CH3
  134158.2436  0.0069 -5.9091 3   46.7823216  59516140413 9 5 1    1210 3 1      C-13-H3C(O)CH3
  134164.0282  0.0080 -4.8833 3  510.8143696  595161404432419 1    432320 1      C-13-H3C(O)CH3
  134174.5610  0.0085 -6.8991 3   39.3137100  59516140412 8 4 3    11 9 2 3      C-13-H3C(O)CH3
  134175.3080  0.0076 -5.2991 3  590.3332372  595161404462819 3    462720 3      C-13-H3C(O)CH3
  134185.1020  0.0081 -4.8833 3  510.8345696  595161404432419 0    432320 0      C-13-H3C(O)CH3
  134191.9118  0.1568 -5.7592 3 1033.3872984  595161404613625 1    613526 1      C-13-H3C(O)CH3
  134192.9655  0.0023 -4.8542 3  204.0029228  595161404281216 3    281117 3      C-13-H3C(O)CH3
  134192.9784  0.0027 -4.8542 3  204.0030228  595161404281216 4    281117 4      C-13-H3C(O)CH3
  134196.1629  0.0027 -4.8542 3  204.0030228  595161404281316 4    281217 4      C-13-H3C(O)CH3
  134196.1656  0.0023 -4.8542 3  204.0030228  595161404281316 3    281217 3      C-13-H3C(O)CH3
  134216.7723  0.0178 -5.6718 3  482.1814664  595161404412814 1    412714 1      C-13-H3C(O)CH3
  134217.5019  0.0063 -4.7474 3  272.5556488  5951614043024 7 2    3023 8 2      C-13-H3C(O)CH3
  134221.6210  0.2255 -5.7591 3 1033.3909984  595161404613625 2    613526 2      C-13-H3C(O)CH3
  134237.8768  0.0022 -4.5526 3  204.0110456  595161404281216 2    281117 2      C-13-H3C(O)CH3
  134241.1490  0.0022 -4.5526 3  204.0110456  595161404281316 2    281217 2      C-13-H3C(O)CH3
  134244.3678  0.0131 -5.0424 3  617.9622760  595161404472919 0    472820 0      C-13-H3C(O)CH3
  134255.2398  0.0022 -4.5527 3  204.0134456  595161404281216 1    281117 1      C-13-H3C(O)CH3
  134258.3737  0.0022 -4.5527 3  204.0134456  595161404281316 1    281217 1      C-13-H3C(O)CH3
  134259.2262  0.0062 -4.7475 3  272.5691488  5951614043024 6 2    3023 7 2      C-13-H3C(O)CH3
  134259.7168  0.0123 -5.1744 3  438.0453316  595161404392713 4    392614 4      C-13-H3C(O)CH3
  134265.8877  0.0063 -4.7471 3  272.5386488  5951614043024 7 1    3023 8 1      C-13-H3C(O)CH3
  134270.5026  0.0032 -4.9740 3   11.4220120  595161404 7 5 2 2     6 4 3 2      C-13-H3C(O)CH3
  134281.7860  0.0757 -5.3548 3  791.8200856  595161404533419 1    533320 1      C-13-H3C(O)CH3
  134282.5479  0.0156 -7.3220 3  189.7475424  595161404261610 0    2519 7 0      C-13-H3C(O)CH3
  134286.8173  0.0122 -7.5273 3  215.2911228  595161404281613 3    2719 8 3      C-13-H3C(O)CH3
  134300.0683  0.0021 -4.5521 3  204.0214456  595161404281216 0    281117 0      C-13-H3C(O)CH3
  134300.0992  0.0024 -4.9652 3   11.3559120  595161404 7 5 2 0     6 4 3 0      C-13-H3C(O)CH3
  134303.2767  0.0021 -4.5521 3  204.0214456  595161404281316 0    281217 0      C-13-H3C(O)CH3
  134303.6634  0.0029 -4.9766 3   11.4222120  595161404 7 5 2 1     6 4 3 1      C-13-H3C(O)CH3
  134310.1021  0.0154 -6.2097 3  502.7300680  595161404422814 1    422716 1      C-13-H3C(O)CH3
  134314.8910  0.0044 -4.7789 3  441.1716648  595161404402318 0    402219 0      C-13-H3C(O)CH3
  134329.6012  0.0148 -7.5676 3   36.7599 92  5951614041110 1 4    11 7 4 4      C-13-H3C(O)CH3
  134331.8202  0.0051 -4.7787 3  441.1442648  595161404402318 2    402219 2      C-13-H3C(O)CH3
  134336.3134  0.0103 -4.9070 3  438.0659632  595161404392713 1    392614 1      C-13-H3C(O)CH3
  134352.1994  0.0047 -4.7786 3  441.1489648  595161404402318 1    402219 1      C-13-H3C(O)CH3
  134357.1114  0.0119 -5.0418 3  617.9511760  595161404472919 1    472820 1      C-13-H3C(O)CH3
  134368.5696  0.0051 -5.0794 3  441.1215324  595161404402318 4    402219 4      C-13-H3C(O)CH3
  134369.8658  0.0051 -5.0794 3  441.1215324  595161404402318 3    402219 3      C-13-H3C(O)CH3
  134372.8627  0.0066 -4.7469 3  272.5880488  5951614043024 6 0    3023 7 0      C-13-H3C(O)CH3
  134375.8624  0.0117 -4.8903 3  438.0684632  595161404392713 2    392614 2      C-13-H3C(O)CH3
  134376.0696  0.0066 -4.7469 3  272.5878488  5951614043024 7 0    3023 8 0      C-13-H3C(O)CH3
  134397.5624  0.0033 -5.2994 3   11.4874 60  595161404 7 5 2 4     6 4 3 4      C-13-H3C(O)CH3
  134409.3654  0.0094 -7.6552 3   24.8153152  595161404 9 9 1 0     9 6 4 0      C-13-H3C(O)CH3
  134410.7681  0.0133 -5.0416 3  617.9478760  595161404472919 2    472820 2      C-13-H3C(O)CH3
  134420.9490  0.0472 -6.4777 3  679.9514396  595161404493218 4    493118 4      C-13-H3C(O)CH3
  134439.4670  0.0198 -6.8250 3  502.7194340  595161404422814 3    422716 3      C-13-H3C(O)CH3
  134458.8469  0.1326 -5.3557 3  791.8177856  595161404533419 2    533320 2      C-13-H3C(O)CH3
  134481.7873  0.0077 -4.8190 3  438.0850632  595161404392713 0    392614 0      C-13-H3C(O)CH3
  134497.0496  0.0164 -5.1909 3  438.0537316  595161404392713 3    392614 3      C-13-H3C(O)CH3
  134506.0189  0.0098 -5.3422 3  617.9365380  595161404472919 4    472820 4      C-13-H3C(O)CH3
  134507.8102  0.0313 -6.6658 3  679.9513792  595161404493218 1    493118 1      C-13-H3C(O)CH3
  134530.6470  0.0096 -5.9563 3   39.3018100  59516140412 8 4 3    11 9 3 3      C-13-H3C(O)CH3
  134534.3063  0.0080 -7.0703 3   29.5172168  59516140410 9 2 0    10 6 5 0      C-13-H3C(O)CH3
  134537.2031  0.0288 -6.1224 3  482.1709332  595161404412814 3    412714 3      C-13-H3C(O)CH3
  134540.8251  0.0117 -5.3418 3  617.9369380  595161404472919 3    472820 3      C-13-H3C(O)CH3
  134572.4656  0.1635 -5.7577 3 1033.3932984  595161404613625 0    613526 0      C-13-H3C(O)CH3
  134573.7940  0.0196 -7.6183 3  189.7422424  595161404261610 1    2519 6 1      C-13-H3C(O)CH3
  134585.1496  0.0430 -6.4575 3  679.9508792  595161404493218 2    493118 2      C-13-H3C(O)CH3
  134649.2633  0.0294 -5.9247 3  502.7309680  595161404422814 2    422716 2      C-13-H3C(O)CH3
  134653.7002  0.0398 -6.6578 3  378.1684292  595161404362611 4    362511 4      C-13-H3C(O)CH3
  134679.9622  0.0091 -6.2654 3   74.2992132  5951614041612 4 3    16 9 7 3      C-13-H3C(O)CH3
  134712.8848  0.0129 -7.5376 3  568.8393776  595161404481731 1    472028 1      C-13-H3C(O)CH3
  134712.8850  0.0129 -7.5375 3  568.8393776  595161404481831 1    471928 1      C-13-H3C(O)CH3
  134722.0327  0.0137 -7.5353 3  568.8381776  595161404481731 2    472028 2      C-13-H3C(O)CH3
  134722.0328  0.0137 -7.5353 3  568.8381776  595161404481831 2    471928 2      C-13-H3C(O)CH3
  134753.7811  0.0070 -5.8112 3   12.4269 60  595161404 7 6 1 4     6 5 2 4      C-13-H3C(O)CH3
  134780.4468  0.0106 -7.5384 3  568.8598776  595161404481731 0    472028 0      C-13-H3C(O)CH3
  134780.4470  0.0106 -7.5368 3  568.8598776  595161404481831 0    471928 0      C-13-H3C(O)CH3
  134786.5433  0.0093 -7.5233 3  419.2134332  595161404411526 3    401823 3      C-13-H3C(O)CH3
  134786.5698  0.0093 -7.5232 3  419.2133332  595161404411526 4    401823 4      C-13-H3C(O)CH3
  134786.5817  0.0093 -7.5233 3  419.2134332  595161404411626 3    401723 3      C-13-H3C(O)CH3
  134786.6081  0.0093 -7.5232 3  419.2133332  595161404411626 4    401723 4      C-13-H3C(O)CH3
  134803.6254  0.0095 -7.2223 3  419.2421664  595161404411526 1    401823 1      C-13-H3C(O)CH3
  134803.6604  0.0095 -7.2223 3  419.2421664  595161404411626 1    401723 1      C-13-H3C(O)CH3
  134805.6881  0.0415 -6.0737 3  528.3881348  595161404432915 4    432815 4      C-13-H3C(O)CH3
  134813.8686  0.0096 -4.8747 3  482.1939664  595161404412813 0    412714 0      C-13-H3C(O)CH3
  134821.3135  0.0111 -5.2559 3  201.6562204  5951614042523 2 4    2522 3 4      C-13-H3C(O)CH3
  134824.9486  0.0096 -7.2200 3  419.2398664  595161404411526 2    401823 2      C-13-H3C(O)CH3
  134824.9852  0.0096 -7.2200 3  419.2398664  595161404411626 2    401723 2      C-13-H3C(O)CH3
  134841.9395  0.0082 -7.2202 3  419.2684664  595161404411526 0    401823 0      C-13-H3C(O)CH3
  134841.9728  0.0082 -7.2202 3  419.2684664  595161404411626 0    401723 0      C-13-H3C(O)CH3
  134871.7550  0.0094 -5.2553 3  201.6144204  5951614042523 3 3    2522 4 3      C-13-H3C(O)CH3
  134878.4592  0.1175 -5.6495 3  791.8135428  595161404533419 3    533320 3      C-13-H3C(O)CH3
  134889.4517  0.0190 -5.5562 3  438.0659632  595161404392712 1    392614 1      C-13-H3C(O)CH3
  134899.8503  0.0337 -6.2153 3  378.1911584  595161404362611 2    362511 2      C-13-H3C(O)CH3
  134913.2344  0.0086 -4.9526 3  563.3198728  595161404452719 0    452620 0      C-13-H3C(O)CH3
  134974.8602  0.0085 -4.9521 3  563.3040728  595161404452719 1    452620 1      C-13-H3C(O)CH3
  134976.5546  0.0108 -5.8957 3   39.2385200  59516140412 8 4 2    11 9 3 2      C-13-H3C(O)CH3
  134977.8409  0.0140 -7.5088 3  287.4535520  595161404322013 0    3123 8 0      C-13-H3C(O)CH3
  134979.7750  0.0384 -6.3424 3  378.1640292  595161404362611 3    362511 3      C-13-H3C(O)CH3
  134990.1184  0.0076 -4.9520 3  563.2998728  595161404452719 2    452620 2      C-13-H3C(O)CH3
  134992.1089  0.0324 -5.9381 3  438.0537316  595161404392712 3    392614 3      C-13-H3C(O)CH3
  135011.0806  0.0151 -4.9496 3  482.1814664  595161404412813 1    412714 1      C-13-H3C(O)CH3
  135034.5272  0.0098 -5.2547 3  201.6200204  5951614042523 2 3    2522 3 3      C-13-H3C(O)CH3
  135034.9605  0.0075 -6.1311 3   46.7822108  59516140413 9 5 4    1210 3 4      C-13-H3C(O)CH3
  135047.1453  0.0062 -5.2527 3  563.2838364  595161404452719 4    452620 4      C-13-H3C(O)CH3
  135056.7998  0.0061 -5.2526 3  563.2839364  595161404452719 3    452620 3      C-13-H3C(O)CH3
  135083.3220  0.0088 -7.4049 3   29.5726168  59516140410 9 1 1    10 6 5 1      C-13-H3C(O)CH3
  135084.1646  0.0101 -5.2541 3  201.5782204  5951614042523 3 4    2522 4 4      C-13-H3C(O)CH3
  135088.5653  0.0095 -4.9537 3  201.6746408  5951614042523 2 1    2522 3 1      C-13-H3C(O)CH3
  135108.1903  0.0423 -6.0597 3  502.7149340  595161404422814 4    422716 4      C-13-H3C(O)CH3
  135129.0055  0.0167 -5.4453 3  378.1754584  595161404362611 1    362511 1      C-13-H3C(O)CH3
  135130.5771  0.0224 -5.2261 3  482.1709332  595161404412813 3    412714 3      C-13-H3C(O)CH3
  135134.6284  0.0088 -4.9535 3  201.6916408  5951614042523 2 2    2522 3 2      C-13-H3C(O)CH3
  135139.8904  0.1486 -5.6628 3  791.8165428  595161404533419 4    533320 4      C-13-H3C(O)CH3
  135146.9294  0.0183 -7.6118 3  189.7100424  595161404261610 2    2519 7 2      C-13-H3C(O)CH3
  135152.4678  0.3874 -5.9630 3 1145.9614A32  595161404644024 0    643925 0      C-13-H3C(O)CH3
  135153.1119  0.0086 -7.4028 3   29.5718168  59516140410 9 1 2    10 6 5 2      C-13-H3C(O)CH3
  135167.5899  0.0034 -6.3248 3   95.6720312  59516140419 910 0    1812 7 0      C-13-H3C(O)CH3
  135184.0230  0.0096 -4.9530 3  201.6498408  5951614042523 3 2    2522 4 2      C-13-H3C(O)CH3
  135230.8745  0.0224 -7.0094 3  323.0098536  5951614043325 9 1    3324 9 1      C-13-H3C(O)CH3
  135249.5987  0.0395 -6.6409 3  322.9878268  5951614043325 9 4    3324 9 4      C-13-H3C(O)CH3
  135255.5155  0.0027 -4.8486 3  187.2108220  595161404271116 4    271017 4      C-13-H3C(O)CH3
  135255.5348  0.0022 -4.8486 3  187.2107220  595161404271116 3    271017 3      C-13-H3C(O)CH3
  135256.4548  0.0027 -4.8486 3  187.2108220  595161404271216 4    271117 4      C-13-H3C(O)CH3
  135256.4796  0.0022 -4.8486 3  187.2107220  595161404271216 3    271117 3      C-13-H3C(O)CH3
  135264.6911  0.0072 -5.0390 3  322.9917268  5951614043325 8 3    3324 9 3      C-13-H3C(O)CH3
  135265.4463  0.0062 -4.7448 3  417.4501632  595161404392118 2    392019 2      C-13-H3C(O)CH3
  135273.3756  0.0096 -5.9061 3   39.2317200  59516140412 8 4 1    11 9 3 1      C-13-H3C(O)CH3
  135291.3487  0.0068 -5.0457 3  417.4263316  595161404392118 3    392019 3      C-13-H3C(O)CH3
  135292.8160  0.0067 -5.0456 3  417.4263316  595161404392118 4    392019 4      C-13-H3C(O)CH3
  135295.5767  0.0038 -6.3278 3   95.6874312  59516140419 910 2    1812 7 2      C-13-H3C(O)CH3
  135299.1807  0.0044 -4.7448 3  417.4785632  595161404392118 0    392019 0      C-13-H3C(O)CH3
  135300.9104  0.0094 -4.9524 3  201.6384408  5951614042523 3 1    2522 4 1      C-13-H3C(O)CH3
  135301.2408  0.0196 -4.9474 3  482.1887664  595161404412813 2    412714 2      C-13-H3C(O)CH3
  135302.2687  0.0301 -5.7510 3  528.3925696  595161404432915 2    432815 2      C-13-H3C(O)CH3
  135303.5899  0.0093 -5.0883 3  378.1640292  595161404362610 3    362511 3      C-13-H3C(O)CH3
  135317.3156  0.0022 -4.5469 3  187.2143440  595161404271116 2    271017 2      C-13-H3C(O)CH3
  135318.2845  0.0022 -4.5469 3  187.2143440  595161404271216 2    271117 2      C-13-H3C(O)CH3
  135325.1943  0.0050 -4.7446 3  417.4548632  595161404392118 1    392019 1      C-13-H3C(O)CH3
  135325.5552  0.0096 -4.8653 3  378.1754584  595161404362610 1    362511 1      C-13-H3C(O)CH3
  135332.3668  0.0022 -4.5470 3  187.2163440  595161404271116 1    271017 1      C-13-H3C(O)CH3
  135333.2917  0.0022 -4.5470 3  187.2163440  595161404271216 1    271117 1      C-13-H3C(O)CH3
  135335.9152  0.0082 -5.0489 3  322.9878268  5951614043325 8 4    3324 9 4      C-13-H3C(O)CH3
  135343.6165  0.0070 -4.7638 3  378.1994584  595161404362610 0    362511 0      C-13-H3C(O)CH3
  135351.8777  0.0352 -5.6381 3  438.0684632  595161404392712 2    392614 2      C-13-H3C(O)CH3
  135357.9329  0.0078 -5.0484 3  322.9842268  5951614043325 9 4    332410 4      C-13-H3C(O)CH3
  135363.4642  0.0066 -4.7391 3  323.0098536  5951614043325 8 1    3324 9 1      C-13-H3C(O)CH3
  135366.1471  0.0083 -5.0756 3  378.1684292  595161404362610 4    362511 4      C-13-H3C(O)CH3
  135378.0484  0.0438 -6.2662 3  627.2692380  595161404473117 4    473017 4      C-13-H3C(O)CH3
  135384.3776  0.0173 -5.3006 3  549.8965356  595161404442916 4    442817 4      C-13-H3C(O)CH3
  135394.0287  0.0021 -4.5463 3  187.2199440  595161404271116 0    271017 0      C-13-H3C(O)CH3
  135394.1465  0.0311 -6.6068 3  323.0206536  5951614043325 9 2    3324 9 2      C-13-H3C(O)CH3
  135394.8175  0.0192 -5.8198 3  528.3872696  595161404432915 1    432815 1      C-13-H3C(O)CH3
  135394.9787  0.0021 -4.5463 3  187.2199440  595161404271216 0    271117 0      C-13-H3C(O)CH3
  135398.6117  0.0035 -6.6285 3   95.7068156  59516140419 910 3    1812 7 3      C-13-H3C(O)CH3
  135403.1609  0.0097 -4.9523 3  201.7100408  5951614042523 2 0    2522 3 0      C-13-H3C(O)CH3
  135403.1632  0.0097 -4.9523 3  201.7100408  5951614042523 3 0    2522 4 0      C-13-H3C(O)CH3
  135411.6078  0.0039 -6.3294 3   95.6868312  59516140419 910 1    1812 7 1      C-13-H3C(O)CH3
  135418.1752  0.0078 -4.7789 3  378.1911584  595161404362610 2    362511 2      C-13-H3C(O)CH3
  135428.8375  0.0073 -5.0382 3  322.9803268  5951614043325 9 3    332410 3      C-13-H3C(O)CH3
  135438.4196  0.0067 -4.7422 3  323.0206536  5951614043325 8 2    3324 9 2      C-13-H3C(O)CH3
  135444.2494  0.0374 -6.6401 3  322.9842268  5951614043325 8 4    332410 4      C-13-H3C(O)CH3
  135449.9193  0.0426 -6.1358 3  576.7495364  595161404453016 4    452916 4      C-13-H3C(O)CH3
  135450.0687  0.0093 -4.9513 3  549.9185712  595161404442916 0    442817 0      C-13-H3C(O)CH3
  135453.1511  0.0065 -4.7385 3  323.0024536  5951614043325 9 1    332410 1      C-13-H3C(O)CH3
  135455.9149  0.0091 -4.8646 3  378.1645584  595161404362611 1    362512 1      C-13-H3C(O)CH3
  135463.0556  0.0071 -6.0720 3   45.1373108  59516140413 8 6 4    12 9 3 4      C-13-H3C(O)CH3
  135468.0509  0.0096 -5.0753 3  378.1412292  595161404362611 4    362512 4      C-13-H3C(O)CH3
  135473.1008  0.0071 -6.9333 3  292.0054552  595161404341321 1    331618 1      C-13-H3C(O)CH3
  135475.4864  0.0094 -4.9643 3  549.9084712  595161404442916 1    442817 1      C-13-H3C(O)CH3
  135478.7514  0.0071 -6.9332 3  292.0052552  595161404341421 1    331518 1      C-13-H3C(O)CH3
  135489.4806  0.0061 -6.9302 3  292.0269552  595161404341321 0    331618 0      C-13-H3C(O)CH3
  135493.1739  0.0192 -5.2330 3  482.1805332  595161404412813 4    412714 4      C-13-H3C(O)CH3
  135494.5232  0.0071 -7.2345 3  291.9804276  595161404341321 4    331618 4      C-13-H3C(O)CH3
  135494.5713  0.0069 -7.2345 3  291.9804276  595161404341321 3    331618 3      C-13-H3C(O)CH3
  135495.1604  0.0061 -6.9302 3  292.0267552  595161404341421 0    331518 0      C-13-H3C(O)CH3
  135500.3684  0.0071 -7.2345 3  291.9802276  595161404341421 4    331518 4      C-13-H3C(O)CH3
  135500.4374  0.0069 -7.2345 3  291.9802276  595161404341421 3    331518 3      C-13-H3C(O)CH3
  135511.0402  0.0071 -6.9304 3  292.0020552  595161404341321 2    331618 2      C-13-H3C(O)CH3
  135516.9332  0.0071 -6.9304 3  292.0018552  595161404341421 2    331518 2      C-13-H3C(O)CH3
  135519.3243  0.0067 -4.7420 3  323.0164536  5951614043325 9 2    332410 2      C-13-H3C(O)CH3
  135519.5566  0.0135 -4.9773 3  549.9088712  595161404442916 2    442817 2      C-13-H3C(O)CH3
  135523.9815  0.0060 -6.3602 3   45.8275216  59516140413 8 5 2    13 5 8 2      C-13-H3C(O)CH3
  135524.3758  0.0065 -4.7361 3  323.0389536  5951614043325 8 0    3324 9 0      C-13-H3C(O)CH3
  135529.5161  0.0092 -5.0871 3  378.1457292  595161404362611 3    362512 3      C-13-H3C(O)CH3
  135543.2223  0.0063 -6.6694 3   45.8766108  59516140413 8 5 3    13 5 8 3      C-13-H3C(O)CH3
  135558.1415  0.0065 -4.7359 3  323.0377536  5951614043325 9 0    332410 0      C-13-H3C(O)CH3
  135563.5974  0.0323 -6.6052 3  323.0164536  5951614043325 8 2    332410 2      C-13-H3C(O)CH3
  135580.2872  0.0080 -4.7782 3  378.1684584  595161404362611 2    362512 2      C-13-H3C(O)CH3
  135584.3778  0.0482 -5.2509 3  734.8034824  595161404513318 0    513219 0      C-13-H3C(O)CH3
  135585.7408  0.0216 -7.0073 3  323.0024536  5951614043325 8 1    332410 1      C-13-H3C(O)CH3
  135590.8911  0.0057 -6.3549 3   45.7798216  59516140413 8 5 0    13 5 8 0      C-13-H3C(O)CH3
  135600.2490  0.0079 -6.6701 3   45.8767108  59516140413 8 5 4    13 5 8 4      C-13-H3C(O)CH3
  135603.2191  0.0069 -4.7622 3  378.1898584  595161404362611 0    362512 0      C-13-H3C(O)CH3
  135636.7978  0.0060 -6.3634 3   45.8288216  59516140413 8 5 1    13 5 8 1      C-13-H3C(O)CH3
  135652.4646  0.0181 -5.4420 3  378.1645584  595161404362610 1    362512 1      C-13-H3C(O)CH3
  135674.5327  0.0046 -6.6374 3   95.6978156  59516140419 910 4    1812 7 4      C-13-H3C(O)CH3
  135691.4526  0.0234 -6.3173 3  627.2680760  595161404473117 1    473017 1      C-13-H3C(O)CH3
  135699.0481  0.0128 -5.0501 3  622.4401760  595161404473018 0    472919 0      C-13-H3C(O)CH3
  135714.2583  0.0314 -6.1350 3  627.2692760  595161404473117 2    473017 2      C-13-H3C(O)CH3
  135731.6130  0.0452 -6.0523 3  438.0453316  595161404392712 4    392614 4      C-13-H3C(O)CH3
  135750.1745  0.5067 -5.9602 3 1145.9581A32  595161404644024 2    643925 2      C-13-H3C(O)CH3
  135756.4489  0.0033 -4.6185 3  312.2753552  595161404341717 2    341618 2      C-13-H3C(O)CH3
  135763.6215  0.0088 -5.9444 3   74.2266264  5951614041612 4 0    16 9 7 0      C-13-H3C(O)CH3
  135770.6238  0.0029 -4.6185 3  312.3019552  595161404341717 0    341618 0      C-13-H3C(O)CH3
  135773.7313  0.0035 -4.9195 3  312.2525276  595161404341717 3    341618 3      C-13-H3C(O)CH3
  135774.1013  0.0036 -4.9195 3  312.2525276  595161404341717 4    341618 4      C-13-H3C(O)CH3
  135787.8306  0.0032 -4.6184 3  312.2791552  595161404341717 1    341618 1      C-13-H3C(O)CH3
  135787.8525  0.0153 -5.2548 3  549.9007356  595161404442916 3    442817 3      C-13-H3C(O)CH3
  135805.7965  0.1634 -5.8768 3  933.9323468  595161404583424 3    583325 3      C-13-H3C(O)CH3
  135810.8020  0.1622 -5.8767 3  933.9324468  595161404583424 4    583325 4      C-13-H3C(O)CH3
  135819.4161  0.0014 -4.7493 3   26.3260 92  59516140411 3 8 3    10 4 7 3      C-13-H3C(O)CH3
  135819.6893  0.0014 -4.7493 3   26.3260 92  59516140411 3 8 4    10 4 7 4      C-13-H3C(O)CH3
  135835.5483  0.0111 -5.0504 3  622.4328760  595161404473018 1    472919 1      C-13-H3C(O)CH3
  135842.5619  0.0271 -6.4125 3  528.3787348  595161404432915 3    432815 3      C-13-H3C(O)CH3
  135848.7794  0.0105 -6.1399 3   74.2666264  5951614041612 4 1    16 9 7 1      C-13-H3C(O)CH3
  135853.3011  0.0014 -4.7490 3   26.3251 92  59516140411 4 8 4    10 3 7 4      C-13-H3C(O)CH3
  135853.3310  0.0396 -6.3366 3  378.1457292  595161404362610 3    362512 3      C-13-H3C(O)CH3
  135853.5056  0.0014 -4.7490 3   26.3250 92  59516140411 4 8 3    10 3 7 3      C-13-H3C(O)CH3
  135871.4401  0.0016 -4.4480 3   26.2657184  59516140411 3 8 1    10 4 7 1      C-13-H3C(O)CH3
  135872.0130  0.0015 -4.4482 3   26.2649184  59516140411 3 8 2    10 4 7 2      C-13-H3C(O)CH3
  135897.9325  0.0295 -5.8998 3  576.7512728  595161404453016 2    452916 2      C-13-H3C(O)CH3
  135904.6658  0.0033 -4.8826 3   24.8153168  59516140410 5 5 0     9 6 4 0      C-13-H3C(O)CH3
  135905.9395  0.0016 -4.4478 3   26.2647184  59516140411 4 8 1    10 3 7 1      C-13-H3C(O)CH3
  135907.2572  0.0015 -4.4479 3   26.2639184  59516140411 4 8 2    10 3 7 2      C-13-H3C(O)CH3
  135918.6242  0.0032 -4.6175 3  312.2759552  595161404341817 2    341718 2      C-13-H3C(O)CH3
  135918.8698  0.0167 -5.0511 3  622.4313760  595161404473018 2    472919 2      C-13-H3C(O)CH3
  135923.7923  0.0015 -4.4479 3   26.2047184  59516140411 3 8 0    10 4 7 0      C-13-H3C(O)CH3
  135928.0300  0.3648 -5.9594 3 1145.9526A32  595161404644024 1    643925 1      C-13-H3C(O)CH3
  135928.7357  0.0028 -4.6175 3  312.3024552  595161404341817 0    341718 0      C-13-H3C(O)CH3
  135933.1350  0.0075 -7.2887 3   34.7065 92  59516140411 9 3 4    11 6 6 4      C-13-H3C(O)CH3
  135933.9797  0.0040 -4.8818 3   24.8711168  59516140410 5 5 2     9 6 4 2      C-13-H3C(O)CH3
  135935.0182  0.0034 -4.9185 3  312.2531276  595161404341817 3    341718 3      C-13-H3C(O)CH3
  135935.0597  0.0035 -4.9185 3  312.2531276  595161404341817 4    341718 4      C-13-H3C(O)CH3
  135935.4512  0.0206 -6.0329 3  576.7480728  595161404453016 1    452916 1      C-13-H3C(O)CH3
  135945.0277  0.0032 -4.6175 3  312.2797552  595161404341817 1    341718 1      C-13-H3C(O)CH3
  135959.6852  0.0015 -4.4477 3   26.2037184  59516140411 4 8 0    10 3 7 0      C-13-H3C(O)CH3
  135968.1065  0.0037 -5.1788 3   24.9291 84  59516140410 5 5 3     9 6 4 3      C-13-H3C(O)CH3
  135975.3821  0.0138 -5.3556 3  622.4232380  595161404473018 4    472919 4      C-13-H3C(O)CH3
  135993.1223  0.0154 -5.0807 3  646.1264776  595161404483019 0    482920 0      C-13-H3C(O)CH3
  135994.5114  0.0183 -7.6078 3  189.6948424  595161404261610 1    2519 7 1      C-13-H3C(O)CH3
  136012.4932  0.0037 -4.8799 3   24.8711168  59516140410 5 5 1     9 6 4 1      C-13-H3C(O)CH3
  136026.5893  0.0103 -6.1308 3   74.2597264  5951614041612 4 2    16 9 7 2      C-13-H3C(O)CH3
  136054.2317  0.0132 -7.2065 3   98.0131156  5951614041910 9 4    1813 5 4      C-13-H3C(O)CH3
  136058.1158  0.0123 -5.3956 3  189.8806196  5951614042423 1 4    2422 2 4      C-13-H3C(O)CH3
  136074.1192  0.0515 -5.2553 3  734.8013824  595161404513318 1    513219 1      C-13-H3C(O)CH3
  136098.6121  0.0361 -6.2074 3  378.1684584  595161404362610 2    362512 2      C-13-H3C(O)CH3
  136114.8253  0.0038 -5.1813 3   24.9251 84  59516140410 5 5 4     9 6 4 4      C-13-H3C(O)CH3
  136127.8234  0.0071 -5.0714 3  258.1929236  5951614042924 6 3    2923 6 3      C-13-H3C(O)CH3
  136134.7087  0.0135 -5.0801 3  646.1184776  595161404483019 1    482920 1      C-13-H3C(O)CH3
  136135.1070  0.0200 -5.3491 3  622.4247380  595161404473018 3    472919 3      C-13-H3C(O)CH3
  136137.3832  0.0106 -5.3949 3  189.8340196  5951614042423 2 3    2422 3 3      C-13-H3C(O)CH3
  136142.7451  0.0086 -5.0717 3  258.2126236  5951614042924 5 4    2923 6 4      C-13-H3C(O)CH3
  136178.2094  0.1700 -5.5741 3  933.9375936  595161404583424 2    583325 2      C-13-H3C(O)CH3
  136180.4977  0.0433 -6.6478 3  378.1412292  595161404362610 4    362512 4      C-13-H3C(O)CH3
  136181.5423  0.0051 -5.6780 3   45.0719216  59516140413 8 6 1    12 9 3 1      C-13-H3C(O)CH3
  136184.8906  0.0028 -4.8482 3  170.9994212  595161404261016 4    26 917 4      C-13-H3C(O)CH3
  136184.9272  0.0022 -4.8482 3  170.9993212  595161404261016 3    26 917 3      C-13-H3C(O)CH3
  136185.1481  0.0028 -4.8482 3  170.9994212  595161404261116 4    261017 4      C-13-H3C(O)CH3
  136185.1865  0.0022 -4.8482 3  170.9993212  595161404261116 3    261017 3      C-13-H3C(O)CH3
  136187.9233  0.1117 -5.5741 3  933.9366936  595161404583424 1    583325 1      C-13-H3C(O)CH3
  136192.2782  0.0049 -5.6629 3   45.0704216  59516140413 8 6 2    12 9 3 2      C-13-H3C(O)CH3
  136193.4185  0.0114 -4.9305 3  528.3960696  595161404432914 0    432815 0      C-13-H3C(O)CH3
  136202.5275  0.0177 -5.0799 3  646.1158776  595161404483019 2    482920 2      C-13-H3C(O)CH3
  136262.9806  0.0258 -5.2882 3  585.4770372  595161404462620 3    462521 3      C-13-H3C(O)CH3
  136264.4603  0.0021 -4.5463 3  170.9978424  595161404261016 2    26 917 2      C-13-H3C(O)CH3
  136264.7270  0.0021 -4.5463 3  170.9978424  595161404261116 2    261017 2      C-13-H3C(O)CH3
  136266.9400  0.0262 -5.2882 3  585.4770372  595161404462620 4    462521 4      C-13-H3C(O)CH3
  136277.4728  0.0021 -4.5464 3  170.9995424  595161404261016 1    26 917 1      C-13-H3C(O)CH3
  136277.7265  0.0021 -4.5464 3  170.9995424  595161404261116 1    261017 1      C-13-H3C(O)CH3
  136283.6076  0.0079 -5.0705 3  258.1704236  5951614042924 6 4    2923 7 4      C-13-H3C(O)CH3
  136294.5393  0.0110 -5.3943 3  189.8429196  5951614042423 1 3    2422 2 3      C-13-H3C(O)CH3
  136299.0989  0.0074 -5.0707 3  258.1901236  5951614042924 5 3    2923 7 3      C-13-H3C(O)CH3
  136301.0272  0.0964 -5.2585 3  734.7996824  595161404513318 2    513219 2      C-13-H3C(O)CH3
  136301.1238  0.0069 -4.7699 3  258.2320472  5951614042924 5 1    2923 6 1      C-13-H3C(O)CH3
  136310.7481  0.0133 -5.3809 3  646.1075388  595161404483019 4    482920 4      C-13-H3C(O)CH3
  136314.2409  0.0382 -7.2676 3  627.2623380  595161404473117 3    473017 3      C-13-H3C(O)CH3
  136316.2695  0.0141 -6.4834 3   74.3006132  5951614041612 4 4    16 9 7 4      C-13-H3C(O)CH3
  136344.0497  0.0257 -4.9868 3  585.4933744  595161404462620 2    462521 2      C-13-H3C(O)CH3
  136356.8488  0.0021 -4.5456 3  170.9979424  595161404261016 0    26 917 0      C-13-H3C(O)CH3
  136357.1103  0.0021 -4.5456 3  170.9979424  595161404261116 0    261017 0      C-13-H3C(O)CH3
  136358.3441  0.0109 -5.0933 3  189.9011392  5951614042423 1 1    2422 2 1      C-13-H3C(O)CH3
  136373.0181  0.0112 -5.3936 3  189.7964196  5951614042423 2 4    2422 3 4      C-13-H3C(O)CH3
  136376.5628  0.0177 -5.3797 3  646.1082388  595161404483019 3    482920 3      C-13-H3C(O)CH3
  136382.0173  0.0069 -4.7693 3  258.2255472  5951614042924 6 2    2923 7 2      C-13-H3C(O)CH3
  136382.8638  0.0101 -5.0932 3  189.9191392  5951614042423 1 2    2422 2 2      C-13-H3C(O)CH3
  136389.7126  0.0063 -6.8532 3  148.6048196  595161404241114 4    231211 4      C-13-H3C(O)CH3
  136390.0746  0.0050 -6.5508 3  148.6029392  595161404241114 1    231211 1      C-13-H3C(O)CH3
  136397.9214  0.0051 -6.8532 3  148.6045196  595161404241114 3    231211 3      C-13-H3C(O)CH3
  136398.6649  0.0066 -4.7696 3  258.2452472  5951614042924 5 2    2923 6 2      C-13-H3C(O)CH3
  136441.6223  0.0125 -4.9864 3  585.4979744  595161404462620 1    462521 1      C-13-H3C(O)CH3
  136455.7965  0.0069 -4.7689 3  258.2095472  5951614042924 6 1    2923 7 1      C-13-H3C(O)CH3
  136458.6043  0.0180 -4.9896 3  528.3872696  595161404432914 1    432815 1      C-13-H3C(O)CH3
  136461.4465  0.0111 -5.0925 3  189.8725392  5951614042423 2 2    2422 3 2      C-13-H3C(O)CH3
  136464.3347  0.0014 -4.9179 3   23.5663 84  59516140410 5 6 4     9 4 5 4      C-13-H3C(O)CH3
  136480.0560  0.0018 -4.9178 3   23.5659 84  59516140410 5 6 3     9 4 5 3      C-13-H3C(O)CH3
  136480.4163  0.0285 -6.8044 3  576.7412364  595161404453016 3    452916 3      C-13-H3C(O)CH3
  136496.8965  0.0091 -7.0994 3   97.9730312  5951614041910 9 2    1813 5 2      C-13-H3C(O)CH3
  136497.1175  0.0045 -6.5457 3  148.5949392  595161404241114 0    231211 0      C-13-H3C(O)CH3
  136502.0245  0.0050 -6.5471 3  148.5966392  595161404241114 2    231211 2      C-13-H3C(O)CH3
  136507.9900  0.4378 -6.2574 3 1145.9494516  595161404644024 3    643925 3      C-13-H3C(O)CH3
  136520.4899  0.0139 -4.9861 3  585.5142744  595161404462620 0    462521 0      C-13-H3C(O)CH3
  136530.8635  0.0033 -5.5686 3   45.0171216  59516140413 8 6 0    12 9 3 0      C-13-H3C(O)CH3
  136535.8540  0.0107 -6.2800 3   39.2407100  59516140412 8 4 4    11 9 3 4      C-13-H3C(O)CH3
  136541.3315  0.4752 -6.2579 3 1145.9501516  595161404644024 4    643925 4      C-13-H3C(O)CH3
  136556.8874  0.0071 -4.7688 3  258.2645472  5951614042924 5 0    2923 6 0      C-13-H3C(O)CH3
  136557.4054  0.0071 -4.7688 3  258.2645472  5951614042924 6 0    2923 7 0      C-13-H3C(O)CH3
  136559.6443  0.1176 -5.5725 3  933.9416936  595161404583424 0    583325 0      C-13-H3C(O)CH3
  136560.9691  0.0018 -4.6166 3   23.5057168  59516140410 5 6 1     9 4 5 1      C-13-H3C(O)CH3
  136581.5835  0.0019 -4.6169 3   23.5040168  59516140410 5 6 2     9 4 5 2      C-13-H3C(O)CH3
  136584.4763  0.0845 -5.5473 3  734.7958412  595161404513318 3    513219 3      C-13-H3C(O)CH3
  136594.3232  0.0109 -5.0919 3  189.8634392  5951614042423 2 1    2422 3 1      C-13-H3C(O)CH3
  136614.5736  0.0261 -5.2589 3  528.3787348  595161404432914 3    432815 3      C-13-H3C(O)CH3
  136617.0116  0.0094 -7.0414 3   97.9749312  5951614041910 9 1    1813 5 1      C-13-H3C(O)CH3
  136659.6119  0.3258 -7.0107 3 1560.3470604  595161404754530 4    754431 4      C-13-H3C(O)CH3
  136662.2352  0.3320 -7.0107 3 1560.3470604  595161404754530 3    754431 3      C-13-H3C(O)CH3
  136670.0917  0.0018 -4.6166 3   23.4437168  59516140410 5 6 0     9 4 5 0      C-13-H3C(O)CH3
  136673.9452  0.3498 -6.7099 3 1560.3677C08  595161404754530 2    754431 2      C-13-H3C(O)CH3
  136684.8462  0.0111 -5.0919 3  189.9395392  5951614042423 1 0    2422 2 0      C-13-H3C(O)CH3
  136684.8463  0.0111 -5.0919 3  189.9395392  5951614042423 2 0    2422 3 0      C-13-H3C(O)CH3
  136687.0757  0.3812 -6.7096 3 1560.3451C08  595161404754530 1    754431 1      C-13-H3C(O)CH3
  136701.9086  0.3902 -6.7099 3 1560.3658C08  595161404754530 0    754431 0      C-13-H3C(O)CH3
  136718.8653  0.0031 -5.8740 3   45.0970108  59516140413 8 6 3    12 9 3 3      C-13-H3C(O)CH3
  136761.0459  0.0069 -4.9035 3  536.8213712  595161404442619 0    442520 0      C-13-H3C(O)CH3
  136768.3454  0.0305 -5.1563 3  679.9535792  595161404493217 0    493118 0      C-13-H3C(O)CH3
  136771.6794  0.0266 -4.9994 3  528.3925696  595161404432914 2    432815 2      C-13-H3C(O)CH3
  136805.8534  0.0068 -4.9031 3  536.7992712  595161404442619 2    442520 2      C-13-H3C(O)CH3
  136807.3500  0.0071 -4.9031 3  536.8035712  595161404442619 1    442520 1      C-13-H3C(O)CH3
  136829.2815  0.0040 -4.7355 3  417.4862632  595161404392218 0    392119 0      C-13-H3C(O)CH3
  136829.6230  0.0015 -4.6259 3   28.4693100  59516140412 210 3    11 3 9 3      C-13-H3C(O)CH3
  136829.6965  0.0015 -4.6258 3   28.4693100  59516140412 210 4    11 3 9 4      C-13-H3C(O)CH3
  136829.7793  0.0015 -4.6259 3   28.4693100  59516140412 310 3    11 2 9 3      C-13-H3C(O)CH3
  136829.8503  0.0015 -4.6258 3   28.4693100  59516140412 310 4    11 2 9 4      C-13-H3C(O)CH3
  136838.1165  0.0047 -4.7353 3  417.4580632  595161404392218 2    392119 2      C-13-H3C(O)CH3
  136849.8827  0.0063 -5.2038 3  536.7813356  595161404442619 4    442520 4      C-13-H3C(O)CH3
  136854.9218  0.0062 -5.2037 3  536.7814356  595161404442619 3    442520 3      C-13-H3C(O)CH3
  136863.6930  0.0043 -4.7353 3  417.4625632  595161404392218 1    392119 1      C-13-H3C(O)CH3
  136866.9545  0.0017 -4.3246 3   28.4067200  59516140412 210 1    11 3 9 1      C-13-H3C(O)CH3
  136867.1127  0.0017 -4.3246 3   28.4067200  59516140412 310 1    11 2 9 1      C-13-H3C(O)CH3
  136867.2740  0.0016 -4.3247 3   28.4061200  59516140412 210 2    11 3 9 2      C-13-H3C(O)CH3
  136867.4371  0.0016 -4.3247 3   28.4061200  59516140412 310 2    11 2 9 2      C-13-H3C(O)CH3
  136872.3865  0.0049 -5.0361 3  417.4343316  595161404392218 4    392119 4      C-13-H3C(O)CH3
  136872.9528  0.0048 -5.0361 3  417.4344316  595161404392218 3    392119 3      C-13-H3C(O)CH3
  136904.4940  0.0016 -4.3244 3   28.3436200  59516140412 210 0    11 3 9 0      C-13-H3C(O)CH3
  136904.6602  0.0016 -4.3244 3   28.3436200  59516140412 310 0    11 2 9 0      C-13-H3C(O)CH3
  136929.4360  0.0143 -5.2244 3  482.0694332  595161404412814 4    412715 4      C-13-H3C(O)CH3
  136947.5703  0.1123 -5.5725 3  734.7998412  595161404513318 4    513219 4      C-13-H3C(O)CH3
  136972.1522  1.0383 -6.8737 3 1647.6084C40  595161404774730 0    774631 0      C-13-H3C(O)CH3
  136972.5983  0.0086 -6.8908 3  102.5514156  5951614041913 7 4    1910 9 4      C-13-H3C(O)CH3
  136997.6865  0.0029 -4.8535 3  155.3712204  59516140425 916 4    25 817 4      C-13-H3C(O)CH3
  136997.7280  0.0023 -4.8535 3  155.3711204  59516140425 916 3    25 817 3      C-13-H3C(O)CH3
  136997.7516  0.0029 -4.8535 3  155.3712204  595161404251016 4    25 917 4      C-13-H3C(O)CH3
  136997.7937  0.0023 -4.8535 3  155.3711204  595161404251016 3    25 917 3      C-13-H3C(O)CH3
  137026.7693  1.1472 -6.8735 3 1647.6104C40  595161404774730 2    774631 2      C-13-H3C(O)CH3
  137027.7884  0.0143 -4.9960 3  576.7537728  595161404453015 0    452916 0      C-13-H3C(O)CH3
  137037.3775  0.0113 -4.9371 3  482.0873664  595161404412814 1    412715 1      C-13-H3C(O)CH3
  137060.5472  0.0139 -4.9367 3  482.0893664  595161404412814 2    412715 2      C-13-H3C(O)CH3
  137085.1522  0.0274 -5.2952 3  528.3881348  595161404432914 4    432815 4      C-13-H3C(O)CH3
  137095.7999  0.0022 -4.5516 3  155.3638408  59516140425 916 2    25 817 2      C-13-H3C(O)CH3
  137095.8676  0.0022 -4.5516 3  155.3638408  595161404251016 2    25 917 2      C-13-H3C(O)CH3
  137106.9705  0.0022 -4.5517 3  155.3653408  59516140425 916 1    25 817 1      C-13-H3C(O)CH3
  137107.0348  0.0022 -4.5517 3  155.3653408  595161404251016 1    25 917 1      C-13-H3C(O)CH3
  137129.5293  0.0137 -5.6617 3  178.6123188  5951614042323 0 4    2322 1 4      C-13-H3C(O)CH3
  137172.9001  0.0087 -4.8602 3  482.1026664  595161404412814 0    412715 0      C-13-H3C(O)CH3
  137193.4967  0.0358 -5.1680 3  679.9513792  595161404493217 1    493118 1      C-13-H3C(O)CH3
  137204.8450  0.0021 -4.5507 3  155.3579408  59516140425 916 0    25 817 0      C-13-H3C(O)CH3
  137204.9115  0.0021 -4.5507 3  155.3579408  595161404251016 0    25 917 0      C-13-H3C(O)CH3
  137210.7418  0.0433 -6.6818 3  419.0487308  595161404382712 4    382612 4      C-13-H3C(O)CH3
  137237.8885  0.0118 -5.6609 3  178.5616188  5951614042323 1 3    2322 2 3      C-13-H3C(O)CH3
  137238.2066  0.0078 -6.9751 3   34.6539184  59516140411 9 3 1    11 6 6 1      C-13-H3C(O)CH3
  137240.2949  0.0200 -5.0713 3  627.2714760  595161404473116 0    473017 0      C-13-H3C(O)CH3
  137242.7061  0.1129 -5.7053 3  839.3966444  595161404553223 3    553124 3      C-13-H3C(O)CH3
  137247.8662  0.1125 -5.7053 3  839.3967444  595161404553223 4    553124 4      C-13-H3C(O)CH3
  137278.6206  0.0050 -6.6469 3  187.1514440  595161404271116 1    261413 1      C-13-H3C(O)CH3
  137289.9885  0.0182 -5.2130 3  482.0791332  595161404412814 3    412715 3      C-13-H3C(O)CH3
  137303.1257  0.0055 -6.9489 3  187.1425220  595161404271116 4    261413 4      C-13-H3C(O)CH3
  137303.1536  0.0048 -6.9489 3  187.1424220  595161404271116 3    261413 3      C-13-H3C(O)CH3
  137310.3613  0.0045 -6.6428 3  187.1560440  595161404271116 0    261413 0      C-13-H3C(O)CH3
  137335.0787  0.0050 -6.6437 3  187.1470440  595161404271116 2    261413 2      C-13-H3C(O)CH3
  137347.9480  0.0216 -5.0367 3  576.7480728  595161404453015 1    452916 1      C-13-H3C(O)CH3
  137387.7789  0.0122 -5.6603 3  178.5736188  5951614042323 0 3    2322 1 3      C-13-H3C(O)CH3
  137401.1158  0.0110 -6.1027 3   46.9246108  59516140413 9 4 4    1210 2 4      C-13-H3C(O)CH3
  137426.4112  0.4256 -6.9448 3 1687.3890C56  595161404784731 2    784632 2      C-13-H3C(O)CH3
  137426.9959  0.5581 -6.9448 3 1687.3862C56  595161404784731 0    784632 0      C-13-H3C(O)CH3
  137436.8933  0.0107 -6.6163 3   79.1800264  5951614041614 3 0    1515 0 0      C-13-H3C(O)CH3
  137438.5094  0.0108 -6.6162 3   79.1800264  5951614041614 2 0    1515 1 0      C-13-H3C(O)CH3
  137460.3399  0.0126 -5.3593 3  178.6353376  5951614042323 0 1    2322 1 1      C-13-H3C(O)CH3
  137462.9658  0.0695 -5.1755 3  679.9508792  595161404493217 2    493118 2      C-13-H3C(O)CH3
  137463.8094  0.0116 -5.3593 3  178.6539376  5951614042323 0 2    2322 1 2      C-13-H3C(O)CH3
  137465.7237  0.4070 -6.7801 3 1438.1527580  595161404724329 4    724230 4      C-13-H3C(O)CH3
  137466.4300  0.4100 -6.7801 3 1438.1526580  595161404724329 3    724230 3      C-13-H3C(O)CH3
  137472.6449  0.9969 -6.7178 3 1564.9256C08  595161404754629 0    754530 0      C-13-H3C(O)CH3
  137475.8163  0.0091 -6.9729 3   34.6528184  59516140411 9 3 2    11 6 6 2      C-13-H3C(O)CH3
  137492.5452  0.9538 -6.8712 3 1647.5846C40  595161404774730 1    774631 1      C-13-H3C(O)CH3
  137495.4507  0.0124 -5.6595 3  178.5230188  5951614042323 1 4    2322 2 4      C-13-H3C(O)CH3
  137501.0235  0.0214 -7.4036 3  121.9057172  5951614042112 9 4    2015 5 4      C-13-H3C(O)CH3
  137545.1228  0.9006 -7.1720 3 1647.5866620  595161404774730 4    774631 4      C-13-H3C(O)CH3
  137548.0853  0.8862 -7.1720 3 1647.5867620  595161404774730 3    774631 3      C-13-H3C(O)CH3
  137555.2738  0.0440 -5.4098 3  665.1514396  595161404492821 3    492722 3      C-13-H3C(O)CH3
  137559.9198  0.0446 -5.4098 3  665.1515396  595161404492821 4    492722 4      C-13-H3C(O)CH3
  137563.2681  0.1171 -5.4029 3  839.4026888  595161404553223 2    553124 2      C-13-H3C(O)CH3
  137564.9765  0.3534 -6.4787 3 1438.1510B60  595161404724329 1    724230 1      C-13-H3C(O)CH3
  137568.0853  0.0321 -5.3079 3  576.7412364  595161404453015 3    452916 3      C-13-H3C(O)CH3
  137570.5579  0.0064 -7.0020 3  102.5320312  5951614041913 7 1    1910 9 1      C-13-H3C(O)CH3
  137571.8664  0.0126 -5.3585 3  178.6031376  5951614042323 1 2    2322 2 2      C-13-H3C(O)CH3
  137576.3106  0.2629 -7.2448 3 1687.3645628  595161404784731 4    784632 4      C-13-H3C(O)CH3
  137579.5570  0.5197 -6.9438 3 1687.3617C56  595161404784731 1    784632 1      C-13-H3C(O)CH3
  137580.6771  0.2715 -7.2448 3 1687.3646628  595161404784731 3    784632 3      C-13-H3C(O)CH3
  137596.5501  0.0099 -6.6144 3   79.2166264  5951614041614 2 2    1515 0 2      C-13-H3C(O)CH3
  137603.6687  0.0598 -5.4550 3  679.9461396  595161404493217 3    493118 3      C-13-H3C(O)CH3
  137610.5322  1.1510 -6.7172 3 1564.9266C08  595161404754629 2    754530 2      C-13-H3C(O)CH3
  137610.5677  0.0267 -5.0951 3  627.2680760  595161404473116 1    473017 1      C-13-H3C(O)CH3
  137611.8936  0.0718 -5.4026 3  839.4038888  595161404553223 1    553124 1      C-13-H3C(O)CH3
  137636.2524  0.0148 -7.1355 3  121.8791344  5951614042112 9 2    2015 5 2      C-13-H3C(O)CH3
  137638.1414  0.0366 -6.1246 3  419.0635616  595161404382712 2    382612 2      C-13-H3C(O)CH3
  137640.1883  0.4167 -6.4786 3 1438.1685B60  595161404724329 2    724230 2      C-13-H3C(O)CH3
  137665.8170  0.0363 -5.0513 3  576.7512728  595161404453015 2    452916 2      C-13-H3C(O)CH3
  137670.6556  0.0030 -4.5909 3  292.0018536  595161404331617 2    331518 2      C-13-H3C(O)CH3
  137677.7958  0.0031 -4.8920 3  291.9802268  595161404331617 3    331518 3      C-13-H3C(O)CH3
  137677.9973  0.0033 -4.8920 3  291.9802268  595161404331617 4    331518 4      C-13-H3C(O)CH3
  137689.6686  0.0027 -4.5908 3  292.0267536  595161404331617 0    331518 0      C-13-H3C(O)CH3
  137696.7573  0.0030 -4.5909 3  292.0052536  595161404331617 1    331518 1      C-13-H3C(O)CH3
  137707.6067  0.0031 -4.8656 3  140.3284196  59516140424 816 4    24 717 4      C-13-H3C(O)CH3
  137707.6218  0.0031 -4.8656 3  140.3284196  59516140424 916 4    24 817 4      C-13-H3C(O)CH3
  137707.6418  0.0024 -4.8656 3  140.3284196  59516140424 816 3    24 717 3      C-13-H3C(O)CH3
  137707.6570  0.0024 -4.8656 3  140.3284196  59516140424 916 3    24 817 3      C-13-H3C(O)CH3
  137712.6621  0.0448 -5.1081 3  665.1636792  595161404492821 2    492722 2      C-13-H3C(O)CH3
  137715.4644  0.0023 -4.7577 3   13.5014 60  595161404 7 7 1 4     6 6 1 4      C-13-H3C(O)CH3
  137718.5950  0.0125 -5.3579 3  178.5966376  5951614042323 1 1    2322 2 1      C-13-H3C(O)CH3
  137732.2804  0.0030 -4.5906 3  292.0020536  595161404331717 2    331618 2      C-13-H3C(O)CH3
  137738.9444  0.0031 -4.8917 3  291.9804268  595161404331717 3    331618 3      C-13-H3C(O)CH3
  137738.9950  0.0032 -4.8917 3  291.9804268  595161404331717 4    331618 4      C-13-H3C(O)CH3
  137742.8088  0.3595 -6.4783 3 1438.1668B60  595161404724329 0    724230 0      C-13-H3C(O)CH3
  137749.7015  0.0027 -4.5905 3  292.0269536  595161404331717 0    331618 0      C-13-H3C(O)CH3
  137754.1427  0.0106 -6.6133 3   79.2044264  5951614041614 2 1    1515 0 1      C-13-H3C(O)CH3
  137755.0956  0.0066 -7.0896 3   34.7068 92  59516140411 9 3 3    11 6 6 3      C-13-H3C(O)CH3
  137756.3022  0.0029 -4.5905 3  292.0054536  595161404331717 1    331618 1      C-13-H3C(O)CH3
  137763.6990  0.0158 -6.4630 3  549.9084712  595161404442915 1    442817 1      C-13-H3C(O)CH3
  137774.5219  0.0157 -5.9384 3   13.5589 60  595161404 7 7 1 3     6 6 0 3      C-13-H3C(O)CH3
  137796.8022  0.0128 -5.3579 3  178.6769376  5951614042323 0 0    2322 1 0      C-13-H3C(O)CH3
  137796.8022  0.0128 -5.3579 3  178.6769376  5951614042323 1 0    2322 2 0      C-13-H3C(O)CH3
  137806.3237  0.0229 -5.1077 3  665.1674792  595161404492821 1    492722 1      C-13-H3C(O)CH3
  137824.9297  0.0023 -4.5635 3  140.3146392  59516140424 816 2    24 717 2      C-13-H3C(O)CH3
  137824.9455  0.0023 -4.5635 3  140.3146392  59516140424 916 2    24 817 2      C-13-H3C(O)CH3
  137825.9319  0.0088 -5.8838 3   46.8580216  59516140413 9 4 2    1210 2 2      C-13-H3C(O)CH3
  137831.6858  0.0216 -5.6495 3  482.0873664  595161404412813 1    412715 1      C-13-H3C(O)CH3
  137833.5881  0.0063 -7.1680 3  102.5260312  5951614041913 7 2    1910 9 2      C-13-H3C(O)CH3
  137834.4087  0.0023 -4.5636 3  140.3159392  59516140424 816 1    24 717 1      C-13-H3C(O)CH3
  137834.4236  0.0023 -4.5636 3  140.3159392  59516140424 916 1    24 817 1      C-13-H3C(O)CH3
  137842.0089  0.0146 -7.2420 3   50.3998108  5951614041311 3 4    13 8 5 4      C-13-H3C(O)CH3
  137859.8188  0.0111 -6.6133 3   79.1210264  5951614041614 3 1    1515 1 1      C-13-H3C(O)CH3
  137871.5531  0.0109 -6.6126 3   79.1327264  5951614041614 3 2    1515 1 2      C-13-H3C(O)CH3
  137871.9221  0.0073 -6.4157 3   97.9081312  5951614041910 9 0    1813 6 0      C-13-H3C(O)CH3
  137873.1450  0.0725 -5.5492 3  749.7969420  595161404523022 3    522923 3      C-13-H3C(O)CH3
  137878.2083  0.0728 -5.5492 3  749.7970420  595161404523022 4    522923 4      C-13-H3C(O)CH3
  137883.3625  0.0319 -6.1016 3  482.0791332  595161404412813 3    412715 3      C-13-H3C(O)CH3
  137889.0984  0.0201 -5.6368 3  419.0482616  595161404382712 1    382612 1      C-13-H3C(O)CH3
  137895.5307  0.0018 -4.5278 3   30.0608108  59516140413 112 3    12 211 3      C-13-H3C(O)CH3
  137895.5310  0.0018 -4.5278 3   30.0608108  59516140413 212 3    12 111 3      C-13-H3C(O)CH3
  137895.5756  0.0018 -4.5278 3   30.0608108  59516140413 112 4    12 211 4      C-13-H3C(O)CH3
  137895.5759  0.0018 -4.5278 3   30.0608108  59516140413 212 4    12 111 4      C-13-H3C(O)CH3
  137897.5705  0.0051 -6.6426 3  187.1308440  595161404271216 1    261313 1      C-13-H3C(O)CH3
  137898.0279  0.0193 -7.2500 3  549.9007356  595161404442915 3    442817 3      C-13-H3C(O)CH3
  137906.4487  1.0581 -7.0283 3 1732.3807C72  595161404794831 2    794732 2      C-13-H3C(O)CH3
  137910.7732  1.0238 -7.0283 3 1732.3776C72  595161404794831 0    794732 0      C-13-H3C(O)CH3
  137912.4631  0.0501 -5.1077 3  627.2692760  595161404473116 2    473017 2      C-13-H3C(O)CH3
  137914.0987  0.0131 -6.9124 3   79.2411132  5951614041614 2 4    1515 0 4      C-13-H3C(O)CH3
  137918.0923  0.0020 -4.2265 3   29.9942216  59516140413 112 1    12 211 1      C-13-H3C(O)CH3
  137918.0925  0.0020 -4.2265 3   29.9942216  59516140413 212 1    12 111 1      C-13-H3C(O)CH3
  137918.2405  0.0019 -4.2266 3   29.9937216  59516140413 112 2    12 211 2      C-13-H3C(O)CH3
  137918.2408  0.0019 -4.2266 3   29.9937216  59516140413 212 2    12 111 2      C-13-H3C(O)CH3
  137919.3881  0.0428 -5.3743 3  627.2623380  595161404473116 3    473017 3      C-13-H3C(O)CH3
  137922.0931  0.0058 -6.9446 3  187.1219220  595161404271216 4    261313 4      C-13-H3C(O)CH3
  137924.2611  0.0050 -6.9446 3  187.1218220  595161404271216 3    261313 3      C-13-H3C(O)CH3
  137927.7499  0.0090 -5.8690 3   46.8570216  59516140413 9 4 1    1210 2 1      C-13-H3C(O)CH3
  137929.8213  0.0767 -5.4012 3  839.4097888  595161404553223 0    553124 0      C-13-H3C(O)CH3
  137934.1866  0.0023 -4.7857 3   13.5589 60  595161404 7 7 0 3     6 6 0 3      C-13-H3C(O)CH3
  137934.4870  0.0025 -4.7857 3   13.5536 60  595161404 7 7 1 3     6 6 1 3      C-13-H3C(O)CH3
  137940.7339  0.0018 -4.2263 3   29.9272216  59516140413 112 0    12 211 0      C-13-H3C(O)CH3
  137940.7342  0.0018 -4.2263 3   29.9272216  59516140413 212 0    12 111 0      C-13-H3C(O)CH3
  137945.4158  0.0046 -6.6384 3  187.1348440  595161404271216 0    261313 0      C-13-H3C(O)CH3
  137951.4566  0.0022 -4.5625 3  140.3022392  59516140424 816 0    24 717 0      C-13-H3C(O)CH3
  137951.4720  0.0022 -4.5625 3  140.3022392  59516140424 916 0    24 817 0      C-13-H3C(O)CH3
  137956.5253  0.0395 -6.1079 3  419.0377308  595161404382712 3    382612 3      C-13-H3C(O)CH3
  137960.5696  0.0256 -5.1070 3  665.1795792  595161404492821 0    492722 0      C-13-H3C(O)CH3
  137971.6630  0.0051 -6.6393 3  187.1258440  595161404271216 2    261313 2      C-13-H3C(O)CH3
  137973.1083  0.0153 -7.1208 3  121.8783344  5951614042112 9 1    2015 5 1      C-13-H3C(O)CH3
  137979.3784  0.0095 -5.1085 3  244.4178228  5951614042824 4 4    2823 5 4      C-13-H3C(O)CH3
  137987.8505  0.0028 -4.4548 3   13.4681120  595161404 7 7 1 1     6 6 1 1      C-13-H3C(O)CH3
  137992.1006  0.0079 -5.1081 3  244.3921228  5951614042824 5 3    2823 6 3      C-13-H3C(O)CH3
  137999.5350  0.0070 -5.0386 3  307.1154260  5951614043225 7 3    3224 8 3      C-13-H3C(O)CH3
  138018.2558  0.0120 -6.9124 3   79.1575132  5951614041614 3 3    1515 0 3      C-13-H3C(O)CH3
  138023.3676  0.0028 -4.4546 3   13.4729120  595161404 7 7 1 2     6 6 1 2      C-13-H3C(O)CH3
  138047.4686  0.0306 -6.1690 3  549.9088712  595161404442915 2    442817 2      C-13-H3C(O)CH3
  138053.3975  0.0081 -5.0386 3  307.1180260  5951614043225 7 4    3224 8 4      C-13-H3C(O)CH3
  138065.3195  0.0821 -5.4952 3  679.9514396  595161404493217 4    493118 4      C-13-H3C(O)CH3
  138085.9784  0.0079 -6.7255 3  114.2739172  595161404211012 4    2011 9 4      C-13-H3C(O)CH3
  138092.0515  0.9212 -6.7149 3 1564.9044C08  595161404754629 1    754530 1      C-13-H3C(O)CH3
  138094.1517  0.0154 -5.9370 3   13.5536 60  595161404 7 7 0 3     6 6 1 3      C-13-H3C(O)CH3
  138099.2326  0.0399 -5.3606 3  576.7495364  595161404453015 4    452916 4      C-13-H3C(O)CH3
  138111.1382  0.0063 -6.7255 3  114.2731172  595161404211012 3    2011 9 3      C-13-H3C(O)CH3
  138115.4613  0.0747 -5.2471 3  749.8054840  595161404523022 2    522923 2      C-13-H3C(O)CH3
  138115.4682  0.0076 -5.0378 3  307.1049260  5951614043225 8 4    3224 9 4      C-13-H3C(O)CH3
  138121.9293  0.0327 -7.4259 3  307.1493520  5951614043225 8 2    3224 8 2      C-13-H3C(O)CH3
  138126.5448  0.0066 -4.7372 3  307.1395520  5951614043225 7 1    3224 8 1      C-13-H3C(O)CH3
  138153.9847  0.0019 -4.7545 3   13.6112 60  595161404 7 7 0 4     6 6 0 4      C-13-H3C(O)CH3
  138155.8588  0.0059 -6.4222 3  114.2585344  595161404211012 1    2011 9 1      C-13-H3C(O)CH3
  138162.7325  0.0082 -5.1074 3  244.3929228  5951614042824 4 3    2823 5 3      C-13-H3C(O)CH3
  138169.2668  0.0112 -5.0096 3  599.2258744  595161404463017 0    462918 0      C-13-H3C(O)CH3
  138169.5724  0.0071 -5.0379 3  307.1075260  5951614043225 8 3    3224 9 3      C-13-H3C(O)CH3
  138174.6663  0.0087 -5.1071 3  244.3674228  5951614042824 5 4    2823 6 4      C-13-H3C(O)CH3
  138178.2303  0.0077 -4.8066 3  244.4383456  5951614042824 4 1    2823 5 1      C-13-H3C(O)CH3
  138187.5595  0.0115 -6.9107 3   79.1570132  5951614041614 2 3    1515 1 3      C-13-H3C(O)CH3
  138193.1927  0.0420 -5.2467 3  749.8081840  595161404523022 1    522923 1      C-13-H3C(O)CH3
  138199.9317  0.0066 -4.7376 3  307.1467520  5951614043225 8 2    3224 9 2      C-13-H3C(O)CH3
  138211.4763  0.0024 -4.4532 3   13.5254120  595161404 7 7 0 1     6 6 0 1      C-13-H3C(O)CH3
  138224.4639  0.0176 -5.3425 3  599.2106372  595161404463017 4    462918 4      C-13-H3C(O)CH3
  138229.2297  0.9458 -7.0153 3 1564.9054604  595161404754629 4    754530 4      C-13-H3C(O)CH3
  138230.6537  0.9258 -7.0153 3 1564.9055604  595161404754629 3    754530 3      C-13-H3C(O)CH3
  138236.0931  0.0121 -6.7715 3  121.8481344  5951614042112 9 0    2015 6 0      C-13-H3C(O)CH3
  138236.4858  0.0026 -4.4530 3   13.5253120  595161404 7 7 0 2     6 6 0 2      C-13-H3C(O)CH3
  138239.2001  0.0079 -4.7920 3  419.0662616  595161404382711 0    382612 0      C-13-H3C(O)CH3
  138240.7324  0.0066 -4.7365 3  307.1290520  5951614043225 8 1    3224 9 1      C-13-H3C(O)CH3
  138247.2096  0.0104 -5.0167 3  599.2191744  595161404463017 1    462918 1      C-13-H3C(O)CH3
  138252.6237  0.0073 -4.8064 3  244.4535456  5951614042824 4 2    2823 5 2      C-13-H3C(O)CH3
  138255.0820  0.0028 -4.4524 3   13.4406120  595161404 7 7 1 0     6 6 0 0      C-13-H3C(O)CH3
  138255.4044  0.0065 -4.7376 3  307.1493520  5951614043225 7 2    3224 8 2      C-13-H3C(O)CH3
  138263.8941  0.0077 -4.8060 3  244.4279456  5951614042824 5 2    2823 6 2      C-13-H3C(O)CH3
  138281.3120  0.0381 -5.6500 3  482.0893664  595161404412813 2    412715 2      C-13-H3C(O)CH3
  138289.3886  0.0119 -6.9108 3   79.0737132  5951614041614 3 4    1515 1 4      C-13-H3C(O)CH3
  138291.5799  0.2987 -5.8262 3 1077.0941A00  595161404623923 0    623824 0      C-13-H3C(O)CH3
  138306.0940  0.0146 -5.0236 3  599.2191744  595161404463017 2    462918 2      C-13-H3C(O)CH3
  138308.4583  0.0094 -4.8587 3  419.0482616  595161404382711 1    382612 1      C-13-H3C(O)CH3
  138313.8141  0.7749 -7.3274 3 1732.3551636  595161404794831 4    794732 4      C-13-H3C(O)CH3
  138318.1708  0.7665 -7.3274 3 1732.3552636  595161404794831 3    794732 3      C-13-H3C(O)CH3
  138318.2531  0.0117 -5.1366 3  419.0377308  595161404382711 3    382612 3      C-13-H3C(O)CH3
  138321.7202  0.9342 -7.0263 3 1732.3520C72  595161404794831 1    794732 1      C-13-H3C(O)CH3
  138324.7095  0.0067 -4.7364 3  307.1707520  5951614043225 7 0    3224 8 0      C-13-H3C(O)CH3
  138326.2916  0.0033 -4.8858 3  125.8731188  59516140423 716 4    23 617 4      C-13-H3C(O)CH3
  138326.2948  0.0033 -4.8858 3  125.8731188  59516140423 816 4    23 717 4      C-13-H3C(O)CH3
  138326.3094  0.0026 -4.8858 3  125.8731188  59516140423 716 3    23 617 3      C-13-H3C(O)CH3
  138326.3125  0.0026 -4.8858 3  125.8731188  59516140423 816 3    23 717 3      C-13-H3C(O)CH3
  138327.7549  0.0061 -6.4177 3  114.2503344  595161404211012 2    2011 9 2      C-13-H3C(O)CH3
  138328.7626  0.0136 -7.3553 3  232.3304472  595161404291713 2    2820 8 2      C-13-H3C(O)CH3
  138331.5315  0.0067 -4.7363 3  307.1705520  5951614043225 8 0    3224 9 0      C-13-H3C(O)CH3
  138333.4068  0.0316 -7.4249 3  307.1467520  5951614043225 7 2    3224 9 2      C-13-H3C(O)CH3
  138333.8340  0.0028 -4.4521 3   13.4386120  595161404 7 7 0 0     6 6 1 0      C-13-H3C(O)CH3
  138347.5724  0.0174 -7.6254 3  268.3915504  595161404311913 2    3022 8 2      C-13-H3C(O)CH3
  138360.2255  0.0077 -4.8055 3  244.4134456  5951614042824 5 1    2823 6 1      C-13-H3C(O)CH3
  138383.0429  0.0055 -6.4155 3  114.2354344  595161404211012 0    2011 9 0      C-13-H3C(O)CH3
  138402.0277  0.0090 -5.1032 3  419.0487308  595161404382711 4    382612 4      C-13-H3C(O)CH3
  138414.3706  0.0089 -4.8117 3  419.0635616  595161404382711 2    382612 2      C-13-H3C(O)CH3
  138432.0676  0.0459 -5.2456 3  749.8165840  595161404523022 0    522923 0      C-13-H3C(O)CH3
  138445.6992  0.0579 -5.4266 3  627.2692380  595161404473116 4    473017 4      C-13-H3C(O)CH3
  138452.1007  0.0079 -4.8055 3  244.4739456  5951614042824 4 0    2823 5 0      C-13-H3C(O)CH3
  138452.1721  0.0079 -4.8055 3  244.4739456  5951614042824 5 0    2823 6 0      C-13-H3C(O)CH3
  138463.3726  0.0025 -4.5835 3  125.8524376  59516140423 716 2    23 617 2      C-13-H3C(O)CH3
  138463.3759  0.0025 -4.5835 3  125.8524376  59516140423 816 2    23 717 2      C-13-H3C(O)CH3
  138464.9652  0.0098 -7.4949 3  228.9764236  595161404291614 4    2819 9 4      C-13-H3C(O)CH3
  138471.2801  0.0025 -4.5836 3  125.8534376  59516140423 716 1    23 617 1      C-13-H3C(O)CH3
  138471.2832  0.0025 -4.5836 3  125.8534376  59516140423 816 1    23 717 1      C-13-H3C(O)CH3
  138475.3677  0.0083 -7.1586 3  228.9890472  595161404291614 2    2819 9 2      C-13-H3C(O)CH3
  138476.7489  0.0409 -7.3900 3  360.7157284  595161404352610 4    352510 4      C-13-H3C(O)CH3
  138477.3733  0.0121 -7.3772 3  268.4088504  595161404311913 0    3022 8 0      C-13-H3C(O)CH3
  138484.8254  0.0058 -6.2792 3   44.9940216  59516140413 8 6 2    12 9 4 2      C-13-H3C(O)CH3
  138486.7470  0.0093 -7.2007 3  232.3434472  595161404291713 0    2820 8 0      C-13-H3C(O)CH3
  138518.5733  0.0096 -6.5141 3   97.9055312  5951614041910 9 2    1813 6 2      C-13-H3C(O)CH3
  138519.9345  0.0091 -4.8575 3  419.0271616  595161404382712 1    382613 1      C-13-H3C(O)CH3
  138529.2615  0.0130 -7.4063 3  232.3292472  595161404291713 1    2820 8 1      C-13-H3C(O)CH3
  138542.9289  0.0081 -7.1504 3  229.0049472  595161404291614 0    2819 9 0      C-13-H3C(O)CH3
  138549.8489  0.0466 -6.2183 3  549.8965356  595161404442915 4    442817 4      C-13-H3C(O)CH3
  138570.8401  0.0077 -6.7176 3   97.9285156  5951614041910 9 3    1813 6 3      C-13-H3C(O)CH3
  138570.9534  0.0044 -7.5589 3   20.3029 76  595161404 9 6 4 4     9 3 7 4      C-13-H3C(O)CH3
  138571.0637  0.0049 -4.6988 3  394.3198616  595161404382018 2    381919 2      C-13-H3C(O)CH3
  138572.2859  0.0110 -5.1025 3  419.0033308  595161404382712 4    382613 4      C-13-H3C(O)CH3
  138584.9574  0.0188 -5.3103 3  599.2142372  595161404463017 3    462918 3      C-13-H3C(O)CH3
  138585.5792  0.0162 -6.9501 3   55.1467116  5951614041410 5 4    1311 2 4      C-13-H3C(O)CH3
  138586.8487  0.0038 -4.6989 3  394.3484616  595161404382018 0    381919 0      C-13-H3C(O)CH3
  138596.1994  0.0076 -5.6557 3   46.7887216  59516140413 9 4 0    1210 3 0      C-13-H3C(O)CH3
  138599.6324  0.0053 -4.9997 3  394.2954308  595161404382018 3    381919 3      C-13-H3C(O)CH3
  138600.4780  0.0052 -4.9997 3  394.2953308  595161404382018 4    381919 4      C-13-H3C(O)CH3
  138608.0579  0.0024 -4.5823 3  125.8328376  59516140423 716 0    23 617 0      C-13-H3C(O)CH3
  138608.0612  0.0024 -4.5823 3  125.8328376  59516140423 816 0    23 717 0      C-13-H3C(O)CH3
  138613.8360  0.0087 -7.1720 3  228.9895472  595161404291614 1    2819 9 1      C-13-H3C(O)CH3
  138615.3819  0.0043 -4.6987 3  394.3241616  595161404382018 1    381919 1      C-13-H3C(O)CH3
  138633.7844  0.0405 -7.2739 3  360.7143284  595161404352610 3    352510 3      C-13-H3C(O)CH3
  138643.4990  0.0090 -7.4632 3  228.9704236  595161404291614 3    2819 9 3      C-13-H3C(O)CH3
  138649.8586  0.0092 -4.8105 3  419.0297616  595161404382712 2    382613 2      C-13-H3C(O)CH3
  138654.9870  0.0113 -5.1347 3  419.0144308  595161404382712 3    382613 3      C-13-H3C(O)CH3
  138655.6429  0.0346 -7.0378 3  360.7436568  595161404352610 2    352510 2      C-13-H3C(O)CH3
  138655.8961  0.0062 -6.7409 3   34.6002184  59516140411 9 3 0    11 6 6 0      C-13-H3C(O)CH3
  138660.0183  0.0052 -6.2236 3   44.9893216  59516140413 8 6 1    12 9 4 1      C-13-H3C(O)CH3
  138679.7812  0.0077 -4.7893 3  419.0498616  595161404382712 0    382613 0      C-13-H3C(O)CH3
  138690.7795  0.0037 -7.5557 3   20.3029 76  595161404 9 6 4 3     9 3 7 3      C-13-H3C(O)CH3
  138734.7209  0.0106 -7.6168 3  481.5615356  595161404441628 4    431925 4      C-13-H3C(O)CH3
  138734.7271  0.0106 -7.6168 3  481.5615356  595161404441728 4    431825 4      C-13-H3C(O)CH3
  138734.7341  0.0106 -7.6169 3  481.5615356  595161404441628 3    431925 3      C-13-H3C(O)CH3
  138734.7403  0.0106 -7.6169 3  481.5615356  595161404441728 3    431825 3      C-13-H3C(O)CH3
  138770.6410  0.0107 -7.3160 3  481.5882712  595161404441628 1    431925 1      C-13-H3C(O)CH3
  138770.6466  0.0107 -7.3160 3  481.5882712  595161404441728 1    431825 1      C-13-H3C(O)CH3
  138784.9904  0.0097 -7.3415 3  572.1186728  595161404452916 1    452818 1      C-13-H3C(O)CH3
  138786.7105  0.0110 -7.3139 3  481.5864712  595161404441628 2    431925 2      C-13-H3C(O)CH3
  138786.7163  0.0110 -7.3139 3  481.5864712  595161404441728 2    431825 2      C-13-H3C(O)CH3
  138787.3900  0.0156 -7.6481 3  640.9573824  595161404511833 1    502130 1      C-13-H3C(O)CH3
  138787.3901  0.0156 -7.6481 3  640.9573824  595161404511933 1    502030 1      C-13-H3C(O)CH3
  138792.5760  0.0171 -7.6482 3  640.9565824  595161404511933 2    502030 2      C-13-H3C(O)CH3
  138792.5760  0.0171 -7.6482 3  640.9565824  595161404511833 2    502130 2      C-13-H3C(O)CH3
  138822.5187  0.0092 -7.3144 3  481.6130712  595161404441628 0    431925 0      C-13-H3C(O)CH3
  138822.5239  0.0092 -7.3144 3  481.6130712  595161404441728 0    431825 0      C-13-H3C(O)CH3
  138825.9282  0.0505 -6.0301 3  482.0694332  595161404412813 4    412715 4      C-13-H3C(O)CH3
  138832.8188  0.0162 -7.6192 3  232.3008236  595161404291713 3    2820 8 3      C-13-H3C(O)CH3
  138854.1677  0.0080 -5.0507 3  360.7143284  5951614043526 9 3    352510 3      C-13-H3C(O)CH3
  138859.7901  0.0179 -5.4206 3  360.7258568  595161404352610 1    352510 1      C-13-H3C(O)CH3
  138862.3330  0.0121 -7.6467 3  640.9726824  595161404511833 0    502130 0      C-13-H3C(O)CH3
  138862.3331  0.0121 -7.6484 3  640.9726824  595161404511933 0    502030 0      C-13-H3C(O)CH3
  138863.8050  0.0028 -4.9160 3  112.0072180  59516140422 616 3    22 517 3      C-13-H3C(O)CH3
  138863.8056  0.0028 -4.9160 3  112.0072180  59516140422 716 3    22 617 3      C-13-H3C(O)CH3
  138863.8157  0.0036 -4.9160 3  112.0073180  59516140422 616 4    22 517 4      C-13-H3C(O)CH3
  138863.8162  0.0036 -4.9160 3  112.0073180  59516140422 716 4    22 617 4      C-13-H3C(O)CH3
  138904.4459  0.0044 -7.2512 3   20.2378152  595161404 9 6 4 1     9 3 7 1      C-13-H3C(O)CH3
  138920.5845  0.0165 -6.9853 3  572.1173728  595161404452916 2    452818 2      C-13-H3C(O)CH3
  138922.1376  0.0046 -7.2492 3   20.2372152  595161404 9 6 4 2     9 3 7 2      C-13-H3C(O)CH3
  138923.5740  0.0096 -6.5257 3   97.8980312  5951614041910 9 1    1813 6 1      C-13-H3C(O)CH3
  138926.5672  0.0078 -5.0496 3  360.7157284  5951614043526 9 4    352510 4      C-13-H3C(O)CH3
  138936.3434  0.0081 -6.0703 3   66.4335248  5951614041512 4 0    1413 1 0      C-13-H3C(O)CH3
  138939.2944  0.0222 -5.6303 3  419.0271616  595161404382711 1    382613 1      C-13-H3C(O)CH3
  138942.4557  0.0088 -4.8504 3  360.7230568  595161404352610 1    352511 1      C-13-H3C(O)CH3
  138947.2416  0.4084 -5.8233 3 1077.0923A00  595161404623923 2    623824 2      C-13-H3C(O)CH3
  138948.0152  0.0089 -5.0498 3  360.7000284  595161404352610 4    352511 4      C-13-H3C(O)CH3
  138973.3985  0.0092 -4.8502 3  360.7258568  5951614043526 9 1    352510 1      C-13-H3C(O)CH3
  138979.7773  0.0021 -4.4448 3   31.1088116  59516140414 014 3    13 113 3      C-13-H3C(O)CH3
  138979.7773  0.0021 -4.4448 3   31.1088116  59516140414 114 3    13 013 3      C-13-H3C(O)CH3
  138979.7870  0.0021 -4.4448 3   31.1088116  59516140414 114 4    13 013 4      C-13-H3C(O)CH3
  138979.7870  0.0021 -4.4448 3   31.1088116  59516140414 014 4    13 113 4      C-13-H3C(O)CH3
  138986.6817  0.0025 -4.1436 3   31.0363232  59516140414 114 1    13 013 1      C-13-H3C(O)CH3
  138986.6817  0.0025 -4.1436 3   31.0363232  59516140414 014 1    13 113 1      C-13-H3C(O)CH3
  138986.7680  0.0024 -4.1437 3   31.0358232  59516140414 014 2    13 113 2      C-13-H3C(O)CH3
  138986.7680  0.0024 -4.1437 3   31.0358232  59516140414 114 2    13 013 2      C-13-H3C(O)CH3
  138989.9886  0.0072 -4.7488 3  360.7436568  5951614043526 9 2    352510 2      C-13-H3C(O)CH3
  138993.6504  0.0023 -4.1434 3   30.9634232  59516140414 014 0    13 113 0      C-13-H3C(O)CH3
  138993.6504  0.0023 -4.1434 3   30.9634232  59516140414 114 0    13 013 0      C-13-H3C(O)CH3
  139012.6034  0.0099 -6.4890 3   46.8574108  59516140413 9 4 3    1210 2 3      C-13-H3C(O)CH3
  139016.7147  0.0413 -6.1012 3  419.0144308  595161404382711 3    382613 3      C-13-H3C(O)CH3
  139020.1130  0.0082 -5.0499 3  360.7015284  595161404352610 3    352511 3      C-13-H3C(O)CH3
  139021.0782  0.0029 -4.6135 3  111.9790360  59516140422 616 2    22 517 2      C-13-H3C(O)CH3
  139021.0788  0.0029 -4.6135 3  111.9790360  59516140422 716 2    22 617 2      C-13-H3C(O)CH3
  139027.5148  0.0029 -4.6137 3  111.9799360  59516140422 616 1    22 517 1      C-13-H3C(O)CH3
  139027.5154  0.0029 -4.6137 3  111.9799360  59516140422 716 1    22 617 1      C-13-H3C(O)CH3
  139027.6847  0.0069 -4.7466 3  360.7538568  5951614043526 9 0    352510 0      C-13-H3C(O)CH3
  139040.1039  0.0082 -6.0696 3   66.4335248  5951614041512 3 0    1413 2 0      C-13-H3C(O)CH3
  139049.2732  0.2845 -5.8228 3 1077.0895A00  595161404623923 1    623824 1      C-13-H3C(O)CH3
  139052.3583  0.0081 -6.0691 3   66.4846248  5951614041512 3 2    1413 1 2      C-13-H3C(O)CH3
  139056.0641  0.0189 -5.4194 3  360.7230568  5951614043526 9 1    352511 1      C-13-H3C(O)CH3
  139085.6643  0.0074 -4.7485 3  360.7292568  595161404352610 2    352511 2      C-13-H3C(O)CH3
  139090.9728  0.0069 -4.7462 3  360.7515568  595161404352610 0    352511 0      C-13-H3C(O)CH3
  139148.1741  0.0057 -4.8539 3  510.8658696  595161404432519 0    432420 0      C-13-H3C(O)CH3
  139172.2620  0.0064 -4.8536 3  510.8420696  595161404432519 2    432420 2      C-13-H3C(O)CH3
  139176.2364  0.9085 -6.5615 3 1484.3437B76  595161404734528 0    734429 0      C-13-H3C(O)CH3
  139184.4546  0.0027 -4.6122 3  111.9517360  59516140422 616 0    22 517 0      C-13-H3C(O)CH3
  139184.4552  0.0027 -4.6122 3  111.9517360  59516140422 716 0    22 617 0      C-13-H3C(O)CH3
  139185.9635  0.0061 -4.8535 3  510.8463696  595161404432519 1    432420 1      C-13-H3C(O)CH3
  139196.1529  0.0046 -7.2440 3   20.1722152  595161404 9 6 4 0     9 3 7 0      C-13-H3C(O)CH3
  139208.5757  0.0274 -6.8795 3  572.1060364  595161404452916 4    452818 4      C-13-H3C(O)CH3
  139209.0034  0.0064 -5.1543 3  510.8223348  595161404432519 4    432420 4      C-13-H3C(O)CH3
  139211.5680  0.0063 -5.1543 3  510.8224348  595161404432519 3    432420 3      C-13-H3C(O)CH3
  139214.3250  0.0024 -6.0777 3    6.8437 52  595161404 6 4 3 4     5 1 4 4      C-13-H3C(O)CH3
  139227.3039  0.0086 -6.0676 3   66.4773248  5951614041512 3 1    1413 1 1      C-13-H3C(O)CH3
  139230.8480  0.0082 -7.0142 3  344.5622600  595161404371423 1    361720 1      C-13-H3C(O)CH3
  139231.8083  0.0082 -7.0142 3  344.5621600  595161404371523 1    361620 1      C-13-H3C(O)CH3
  139234.7159  0.1747 -7.5749 3  945.8362468  595161404583722 4    583622 4      C-13-H3C(O)CH3
  139236.6281  0.0080 -7.3152 3  344.5341300  595161404371423 3    361720 3      C-13-H3C(O)CH3
  139236.6369  0.0080 -7.3152 3  344.5341300  595161404371423 4    361720 4      C-13-H3C(O)CH3
  139237.6454  0.0080 -7.3152 3  344.5341300  595161404371523 3    361620 3      C-13-H3C(O)CH3
  139237.6499  0.0080 -7.3152 3  344.5341300  595161404371523 4    361620 4      C-13-H3C(O)CH3
  139240.4963  0.0414 -7.2698 3  360.7015284  5951614043526 9 3    352511 3      C-13-H3C(O)CH3
  139254.1472  0.0114 -6.0996 3   46.8494108  59516140413 9 4 3    1210 3 3      C-13-H3C(O)CH3
  139256.1899  0.0070 -7.0115 3  344.5872600  595161404371423 0    361720 0      C-13-H3C(O)CH3
  139257.1388  0.0070 -7.0115 3  344.5871600  595161404371523 0    361620 0      C-13-H3C(O)CH3
  139262.0674  0.0082 -7.0115 3  344.5592600  595161404371423 2    361720 2      C-13-H3C(O)CH3
  139263.0720  0.0082 -7.0115 3  344.5591600  595161404371523 2    361620 2      C-13-H3C(O)CH3
  139264.8417  0.0037 -4.6948 3  394.3514616  595161404382118 0    382019 0      C-13-H3C(O)CH3
  139268.0805  0.0099 -4.8196 3  485.4146680  595161404422319 2    422220 2      C-13-H3C(O)CH3
  139269.1343  0.0043 -4.6947 3  394.3229616  595161404382118 2    382019 2      C-13-H3C(O)CH3
  139272.5978  0.0105 -5.1205 3  485.3932340  595161404422319 3    422220 3      C-13-H3C(O)CH3
  139274.5451  0.0105 -5.1205 3  485.3931340  595161404422319 4    422220 4      C-13-H3C(O)CH3
  139280.3950  0.0022 -6.0765 3    6.8436 52  595161404 6 4 3 3     5 1 4 3      C-13-H3C(O)CH3
  139281.3965  0.0175 -5.1141 3  674.8741792  595161404493119 0    493020 0      C-13-H3C(O)CH3
  139291.1473  0.0111 -6.3674 3   66.5285124  5951614041512 3 4    1413 1 4      C-13-H3C(O)CH3
  139296.2557  0.0040 -4.6946 3  394.3271616  595161404382118 1    382019 1      C-13-H3C(O)CH3
  139300.6161  0.0045 -4.9955 3  394.2985308  595161404382118 4    382019 4      C-13-H3C(O)CH3
  139300.8135  0.0045 -4.9955 3  394.2985308  595161404382118 3    382019 3      C-13-H3C(O)CH3
  139301.1960  0.0071 -5.9748 3   91.3351148  5951614041812 6 3    18 9 9 3      C-13-H3C(O)CH3
  139310.5811  0.0142 -7.0112 3  121.8233344  5951614042112 9 2    2015 6 2      C-13-H3C(O)CH3
  139317.3093  0.0029 -4.8688 3  272.2755260  595161404321517 3    321418 3      C-13-H3C(O)CH3
  139317.4068  0.0031 -4.8688 3  272.2755260  595161404321517 4    321418 4      C-13-H3C(O)CH3
  139321.8596  0.0028 -4.5676 3  272.2951520  595161404321517 2    321418 2      C-13-H3C(O)CH3
  139328.9679  0.0032 -4.9594 3   98.7326172  59516140421 516 3    21 417 3      C-13-H3C(O)CH3
  139328.9680  0.0032 -4.9594 3   98.7326172  59516140421 616 3    21 517 3      C-13-H3C(O)CH3
  139329.0177  0.0039 -4.9594 3   98.7326172  59516140421 516 4    21 417 4      C-13-H3C(O)CH3
  139329.0178  0.0039 -4.9594 3   98.7326172  59516140421 616 4    21 517 4      C-13-H3C(O)CH3
  139330.0237  0.0059 -4.8194 3  485.4405680  595161404422319 0    422220 0      C-13-H3C(O)CH3
  139335.1237  0.0062 -4.8193 3  485.4191680  595161404422319 1    422220 1      C-13-H3C(O)CH3
  139339.2428  0.0028 -4.8686 3  272.2756260  595161404321617 3    321518 3      C-13-H3C(O)CH3
  139339.2746  0.0030 -4.8686 3  272.2755260  595161404321617 4    321518 4      C-13-H3C(O)CH3
  139344.0175  0.0028 -4.5675 3  272.2952520  595161404321617 2    321518 2      C-13-H3C(O)CH3
  139344.2074  0.0028 -4.5676 3  272.2982520  595161404321517 1    321418 1      C-13-H3C(O)CH3
  139348.7795  0.0025 -4.5674 3  272.3179520  595161404321517 0    321418 0      C-13-H3C(O)CH3
  139360.7957  0.0071 -7.1250 3   34.6539184  59516140411 9 2 1    11 6 6 1      C-13-H3C(O)CH3
  139361.8571  0.0103 -7.3590 3  276.5775520  595161404321716 1    312011 1      C-13-H3C(O)CH3
  139365.5479  0.0028 -4.5674 3  272.2983520  595161404321617 1    321518 1      C-13-H3C(O)CH3
  139370.3497  0.0025 -4.5673 3  272.3179520  595161404321617 0    321518 0      C-13-H3C(O)CH3
  139390.0425  0.0070 -7.1290 3   34.6528184  59516140411 9 2 2    11 6 6 2      C-13-H3C(O)CH3
  139393.8696  0.0103 -7.3554 3  276.5717520  595161404321716 2    312011 2      C-13-H3C(O)CH3
  139397.8335  0.0436 -7.3840 3  360.7000284  5951614043526 9 4    352511 4      C-13-H3C(O)CH3
  139402.6496  0.0080 -6.0667 3   66.4052248  5951614041512 4 2    1413 2 2      C-13-H3C(O)CH3
  139411.8162  0.4116 -6.5552 3 1320.7954556  595161404694128 3    694029 3      C-13-H3C(O)CH3
  139412.2102  1.0838 -6.5605 3 1484.3440B76  595161404734528 2    734429 2      C-13-H3C(O)CH3
  139412.7289  0.4095 -6.5552 3 1320.7954556  595161404694128 4    694029 4      C-13-H3C(O)CH3
  139420.0100  0.0363 -7.0328 3  360.7292568  5951614043526 9 2    352511 2      C-13-H3C(O)CH3
  139422.5200  0.0028 -5.7747 3    6.7715104  595161404 6 4 3 1     5 1 4 1      C-13-H3C(O)CH3
  139426.0878  0.0401 -6.1133 3  419.0297616  595161404382711 2    382613 2      C-13-H3C(O)CH3
  139431.1451  0.0082 -7.5169 3  545.6417712  595161404442816 2    442718 2      C-13-H3C(O)CH3
  139436.0050  0.0030 -5.7747 3    6.7709104  595161404 6 4 3 2     5 1 4 2      C-13-H3C(O)CH3
  139444.4876  0.0150 -5.1139 3  674.8698792  595161404493119 1    493020 1      C-13-H3C(O)CH3
  139451.3128  0.0062 -6.2986 3   45.0043108  59516140413 8 6 4    12 9 4 4      C-13-H3C(O)CH3
  139458.4623  0.0084 -6.0667 3   66.3937248  5951614041512 4 1    1413 2 1      C-13-H3C(O)CH3
  139484.8596  0.0054 -5.6719 3   91.3075296  5951614041812 6 2    18 9 9 2      C-13-H3C(O)CH3
  139489.2980  0.0098 -7.3518 3  276.5927520  595161404321716 0    312011 0      C-13-H3C(O)CH3
  139489.8526  0.0048 -5.6751 3   91.3117296  5951614041812 6 1    18 9 9 1      C-13-H3C(O)CH3
  139491.3589  0.0159 -7.1661 3  121.8383172  5951614042112 9 3    2015 6 3      C-13-H3C(O)CH3
  139495.1489  0.0041 -7.2692 3   26.3260 84  59516140410 7 4 4    10 4 7 4      C-13-H3C(O)CH3
  139506.7565  0.0034 -4.6568 3   98.6964344  59516140421 516 2    21 417 2      C-13-H3C(O)CH3
  139506.7566  0.0034 -4.6568 3   98.6964344  59516140421 616 2    21 517 2      C-13-H3C(O)CH3
  139507.2149  0.0130 -6.9297 3   50.3532216  5951614041311 3 1    13 8 5 1      C-13-H3C(O)CH3
  139508.3964  0.0174 -7.2268 3  109.6204164  5951614042011 9 4    1914 5 4      C-13-H3C(O)CH3
  139511.8100  0.0034 -4.6569 3   98.6971344  59516140421 516 1    21 417 1      C-13-H3C(O)CH3
  139511.8101  0.0034 -4.6569 3   98.6971344  59516140421 616 1    21 517 1      C-13-H3C(O)CH3
  139512.7862  0.0098 -6.3856 3   66.4447124  5951614041512 4 3    1413 2 3      C-13-H3C(O)CH3
  139517.5877  0.0218 -5.1140 3  674.8682792  595161404493119 2    493020 2      C-13-H3C(O)CH3
  139520.2219  0.0170 -5.2807 3  528.2309348  595161404432915 4    432816 4      C-13-H3C(O)CH3
  139546.3175  0.0044 -5.9888 3   91.3354148  5951614041812 6 4    18 9 9 4      C-13-H3C(O)CH3
  139548.0654  0.0032 -5.6658 3   91.2840296  5951614041812 6 0    18 9 9 0      C-13-H3C(O)CH3
  139551.0137  0.0023 -7.2033 3   15.3584 68  595161404 8 5 3 4     7 4 3 4      C-13-H3C(O)CH3
  139567.0334  0.0132 -7.6198 3  232.2946472  595161404291713 1    2820 9 1      C-13-H3C(O)CH3
  139575.0569  0.0118 -7.4000 3  545.6277356  595161404442816 4    442718 4      C-13-H3C(O)CH3
  139576.6435  0.0105 -5.1652 3  231.1472220  5951614042724 3 4    2723 4 4      C-13-H3C(O)CH3
  139590.2972  0.0472 -6.5813 3  462.0659324  595161404402813 4    402713 4      C-13-H3C(O)CH3
  139607.3638  0.3263 -6.2534 3 1320.7934B12  595161404694128 1    694029 1      C-13-H3C(O)CH3
  139611.0838  0.0032 -5.7733 3    6.6990104  595161404 6 4 3 0     5 1 4 0      C-13-H3C(O)CH3
  139618.6273  0.0164 -5.4166 3  674.8632396  595161404493119 4    493020 4      C-13-H3C(O)CH3
  139618.9317  0.0089 -5.1647 3  231.1162220  5951614042724 4 3    2723 5 3      C-13-H3C(O)CH3
  139624.0454  0.0027 -7.5506 3   15.2897136  595161404 8 5 3 2     7 4 3 2      C-13-H3C(O)CH3
  139631.4713  0.0024 -7.4500 3   15.2917136  595161404 8 5 3 1     7 4 3 1      C-13-H3C(O)CH3
  139655.2174  0.0092 -6.3840 3   66.4489124  5951614041512 3 3    1413 1 3      C-13-H3C(O)CH3
  139661.7128  0.0125 -4.9703 3  528.2449696  595161404432915 1    432816 1      C-13-H3C(O)CH3
  139662.6382  0.0169 -5.0986 3  670.2155792  595161404493020 0    492921 0      C-13-H3C(O)CH3
  139672.3928  0.3566 -6.1204 3 1077.0876500  595161404623923 3    623824 3      C-13-H3C(O)CH3
  139672.9485  0.0161 -4.9820 3  528.2467696  595161404432915 2    432816 2      C-13-H3C(O)CH3
  139673.6502  0.0155 -7.4836 3  250.0231488  595161404301813 2    2921 8 2      C-13-H3C(O)CH3
  139689.2142  0.0031 -4.6553 3   98.6609344  59516140421 516 0    21 417 0      C-13-H3C(O)CH3
  139689.2143  0.0031 -4.6553 3   98.6609344  59516140421 616 0    21 517 0      C-13-H3C(O)CH3
  139717.6856  0.0139 -6.5059 3   93.2239148  5951614041813 6 4    1810 8 4      C-13-H3C(O)CH3
  139718.3855  0.4261 -6.2531 3 1320.8062B12  595161404694128 2    694029 2      C-13-H3C(O)CH3
  139719.5339  0.0037 -6.2543 3    7.7664 52  595161404 6 5 2 4     5 2 3 4      C-13-H3C(O)CH3
  139729.6374  0.0036 -5.0214 3   86.0508164  59516140420 516 3    20 417 3      C-13-H3C(O)CH3
  139729.6374  0.0036 -5.0214 3   86.0508164  59516140420 416 3    20 317 3      C-13-H3C(O)CH3
  139729.7375  0.0043 -5.0214 3   86.0508164  59516140420 516 4    20 417 4      C-13-H3C(O)CH3
  139729.7375  0.0043 -5.0214 3   86.0508164  59516140420 416 4    20 317 4      C-13-H3C(O)CH3
  139731.6311  0.3991 -6.1217 3 1077.0887500  595161404623923 4    623824 4      C-13-H3C(O)CH3
  139741.4910  0.0243 -5.4130 3  674.8645396  595161404493119 3    493020 3      C-13-H3C(O)CH3
  139763.5717  0.0483 -6.6659 3  419.0033308  595161404382711 4    382613 4      C-13-H3C(O)CH3
  139764.3996  0.0098 -4.9089 3  528.2561696  595161404432915 0    432816 0      C-13-H3C(O)CH3
  139775.2776  0.0155 -5.0980 3  670.2074792  595161404493020 1    492921 1      C-13-H3C(O)CH3
  139786.2105  0.0093 -5.1640 3  231.1205220  5951614042724 3 3    2723 4 3      C-13-H3C(O)CH3
  139795.2397  0.0035 -7.2538 3   26.3260 84  59516140410 7 4 3    10 4 7 3      C-13-H3C(O)CH3
  139813.0215  0.0155 -5.0978 3  670.2045792  595161404493020 2    492921 2      C-13-H3C(O)CH3
  139813.6204  0.0088 -4.8632 3  231.1695440  5951614042724 3 1    2723 4 1      C-13-H3C(O)CH3
  139827.6185  0.0097 -5.1635 3  231.0896220  5951614042724 4 4    2723 5 4      C-13-H3C(O)CH3
  139830.7096  0.0123 -7.0021 3  109.5860328  5951614042011 9 2    1914 5 2      C-13-H3C(O)CH3
  139831.9373  0.0105 -7.2709 3  250.0381488  595161404301813 0    2921 8 0      C-13-H3C(O)CH3
  139853.1395  0.0111 -6.0424 3   46.7903216  59516140413 9 4 2    1210 3 2      C-13-H3C(O)CH3
  139864.7981  0.0083 -4.8630 3  231.1862440  5951614042724 3 2    2723 4 2      C-13-H3C(O)CH3
  139871.9363  0.0095 -6.3641 3   66.3653124  5951614041512 4 4    1413 2 4      C-13-H3C(O)CH3
  139875.7283  0.8440 -6.5583 3 1484.3259B76  595161404734528 1    734429 1      C-13-H3C(O)CH3
  139905.9715  0.0089 -4.8625 3  231.1552440  5951614042724 4 2    2723 5 2      C-13-H3C(O)CH3
  139911.4931  0.0130 -6.8743 3   97.8844156  5951614041910 9 4    1813 6 4      C-13-H3C(O)CH3
  139912.1387  0.0106 -5.3984 3  670.1963396  595161404493020 4    492921 4      C-13-H3C(O)CH3
  139917.9410  0.3360 -6.2524 3 1320.8042B12  595161404694128 0    694029 0      C-13-H3C(O)CH3
  139928.1144  0.0040 -4.7186 3   86.0061328  59516140420 416 2    20 317 2      C-13-H3C(O)CH3
  139928.1145  0.0040 -4.7186 3   86.0061328  59516140420 516 2    20 417 2      C-13-H3C(O)CH3
  139930.5281  0.0142 -7.5223 3  250.0198488  595161404301813 1    2921 8 1      C-13-H3C(O)CH3
  139931.8646  0.0041 -4.7188 3   86.0067328  59516140420 416 1    20 317 1      C-13-H3C(O)CH3
  139931.8646  0.0041 -4.7188 3   86.0067328  59516140420 516 1    20 417 1      C-13-H3C(O)CH3
  139937.7964  0.0139 -6.9301 3   50.3481216  5951614041311 3 2    13 8 5 2      C-13-H3C(O)CH3
  139940.1313  0.0127 -5.3981 3  670.1966396  595161404493020 3    492921 3      C-13-H3C(O)CH3
  139948.0260  0.0079 -7.4126 3   34.7065 92  59516140411 9 2 4    11 6 6 4      C-13-H3C(O)CH3
  139963.8589  0.0144 -7.0085 3  121.8119344  5951614042112 9 1    2015 6 1      C-13-H3C(O)CH3
  139964.8370  0.0042 -6.9535 3   26.2657168  59516140410 7 4 1    10 4 7 1      C-13-H3C(O)CH3
  139988.9243  0.0184 -5.2387 3  528.2404348  595161404432915 3    432816 3      C-13-H3C(O)CH3
  140012.4032  0.0045 -6.9511 3   26.2649168  59516140410 7 4 2    10 4 7 2      C-13-H3C(O)CH3
  140022.2178  0.0088 -4.8620 3  231.1428440  5951614042724 4 1    2723 5 1      C-13-H3C(O)CH3
  140025.1271  0.0144 -7.2995 3   50.3978108  5951614041311 3 3    13 8 5 3      C-13-H3C(O)CH3
  140030.0769  0.0111 -6.3408 3   55.0845232  5951614041410 5 1    1311 2 1      C-13-H3C(O)CH3
  140038.4233  0.0038 -5.0965 3   15.9704 68  595161404 8 6 3 4     7 5 2 4      C-13-H3C(O)CH3
  140051.6475  0.0126 -6.9758 3  109.5868328  5951614042011 9 1    1914 5 1      C-13-H3C(O)CH3
  140065.1186  0.0105 -6.2940 3   55.0868232  5951614041410 5 2    1311 2 2      C-13-H3C(O)CH3
  140072.8293  0.0040 -5.1122 3   73.9634156  59516140419 416 3    19 317 3      C-13-H3C(O)CH3
  140072.8293  0.0040 -5.1121 3   73.9634156  59516140419 316 3    19 217 3      C-13-H3C(O)CH3
  140072.9903  0.0048 -5.1121 3   73.9634156  59516140419 316 4    19 217 4      C-13-H3C(O)CH3
  140072.9903  0.0048 -5.1121 3   73.9634156  59516140419 416 4    19 317 4      C-13-H3C(O)CH3
  140083.6233  0.0135 -5.0496 3  641.4537776  595161404482920 0    482821 0      C-13-H3C(O)CH3
  140102.9567  0.0089 -4.8620 3  231.2084440  5951614042724 3 0    2723 4 0      C-13-H3C(O)CH3
  140102.9649  0.0089 -4.8620 3  231.2084440  5951614042724 4 0    2723 5 0      C-13-H3C(O)CH3
  140111.5690  0.8968 -6.8582 3 1484.3264588  595161404734528 3    734429 3      C-13-H3C(O)CH3
  140111.9862  0.9222 -6.8582 3 1484.3264588  595161404734528 4    734429 4      C-13-H3C(O)CH3
  140129.9033  0.0038 -4.7170 3   85.9621328  59516140420 416 0    20 317 0      C-13-H3C(O)CH3
  140129.9033  0.0038 -4.7170 3   85.9621328  59516140420 516 0    20 417 0      C-13-H3C(O)CH3
  140159.6670  0.0390 -5.9945 3  462.0732648  595161404402813 2    402713 2      C-13-H3C(O)CH3
  140163.4190  0.0129 -5.0491 3  641.4430776  595161404482920 1    482821 1      C-13-H3C(O)CH3
  140168.8140  0.0101 -6.0614 3   46.7823216  59516140413 9 4 1    1210 3 1      C-13-H3C(O)CH3
  140185.1977  0.0112 -5.0490 3  641.4397776  595161404482920 2    482821 2      C-13-H3C(O)CH3
  140220.7761  0.0047 -6.1869 3   58.5514124  59516140415 8 8 4    14 9 5 4      C-13-H3C(O)CH3
  140240.5160  0.0131 -7.1289 3   50.3978108  5951614041311 2 3    13 8 5 3      C-13-H3C(O)CH3
  140257.9418  0.0081 -5.3496 3  641.4290388  595161404482920 4    482821 4      C-13-H3C(O)CH3
  140273.2915  0.0085 -5.3495 3  641.4291388  595161404482920 3    482821 3      C-13-H3C(O)CH3
  140292.0333  0.0048 -4.8092 3   73.9099312  59516140419 316 2    19 217 2      C-13-H3C(O)CH3
  140292.0333  0.0048 -4.8092 3   73.9099312  59516140419 416 2    19 317 2      C-13-H3C(O)CH3
  140294.5554  0.0049 -4.8094 3   73.9104312  59516140419 316 1    19 217 1      C-13-H3C(O)CH3
  140294.5554  0.0049 -4.8094 3   73.9104312  59516140419 416 1    19 317 1      C-13-H3C(O)CH3
  140326.1002  0.0061 -6.1831 3   58.5479124  59516140415 8 8 3    14 9 5 3      C-13-H3C(O)CH3
  140337.9209  0.0043 -6.9432 3   26.2047168  59516140410 7 4 0    10 4 7 0      C-13-H3C(O)CH3
  140364.2014  0.0072 -5.0490 3  291.7863252  5951614043125 7 3    3124 7 3      C-13-H3C(O)CH3
  140364.8689  0.0045 -6.6196 3   62.4719148  59516140418 216 3    18 217 3      C-13-H3C(O)CH3
  140364.8689  0.0045 -6.6196 3   62.4719148  59516140418 316 3    18 117 3      C-13-H3C(O)CH3
  140364.8689  0.0045 -5.2738 3   62.4719148  59516140418 316 3    18 217 3      C-13-H3C(O)CH3
  140364.8689  0.0045 -5.2738 3   62.4719148  59516140418 216 3    18 117 3      C-13-H3C(O)CH3
  140365.1013  0.0053 -5.2557 3   62.4719148  59516140418 216 4    18 117 4      C-13-H3C(O)CH3
  140365.1013  0.0053 -5.2557 3   62.4719148  59516140418 316 4    18 217 4      C-13-H3C(O)CH3
  140389.5649  0.0047 -5.8784 3   58.5089248  59516140415 8 8 1    14 9 5 1      C-13-H3C(O)CH3
  140393.6283  0.0084 -5.0492 3  291.7952252  5951614043125 6 4    3124 7 4      C-13-H3C(O)CH3
  140406.1705  0.0224 -5.6721 3  462.0591648  595161404402813 1    402713 1      C-13-H3C(O)CH3
  140412.3258  0.8876 -7.1814 3 1819.2232D04  595161404814932 2    814833 2      C-13-H3C(O)CH3
  140415.8840  0.0046 -5.9024 3    7.6953104  595161404 6 5 2 1     5 2 3 1      C-13-H3C(O)CH3
  140445.5382  0.9587 -7.1812 3 1819.2190D04  595161404814932 0    814833 0      C-13-H3C(O)CH3
  140463.0944  0.0033 -6.1520 3    7.7659 52  595161404 6 5 2 3     5 2 3 3      C-13-H3C(O)CH3
  140469.7062  0.0045 -6.6652 3   31.2083 92  59516140411 6 5 4    10 7 3 4      C-13-H3C(O)CH3
  140474.0955  0.0053 -5.8732 3   58.5042248  59516140415 8 8 2    14 9 5 2      C-13-H3C(O)CH3
  140507.8636  0.0080 -5.0482 3  291.7731252  5951614043125 7 4    3124 8 4      C-13-H3C(O)CH3
  140512.1529  0.0068 -4.7476 3  291.8170504  5951614043125 6 1    3124 7 1      C-13-H3C(O)CH3
  140512.2909  0.0056 -5.8974 3    7.6942104  595161404 6 5 2 2     5 2 3 2      C-13-H3C(O)CH3
  140513.2641  0.0046 -4.8074 3   73.8570312  59516140419 416 0    19 317 0      C-13-H3C(O)CH3
  140513.2641  0.0046 -4.8074 3   73.8570312  59516140419 316 0    19 217 0      C-13-H3C(O)CH3
  140537.9187  0.0074 -5.0483 3  291.7820252  5951614043125 6 3    3124 8 3      C-13-H3C(O)CH3
  140586.5131  0.0068 -4.7471 3  291.8206504  5951614043125 7 2    3124 8 2      C-13-H3C(O)CH3
  140588.2977  0.0033 -5.8677 3   58.4636248  59516140415 8 8 0    14 9 5 0      C-13-H3C(O)CH3
  140596.5967  0.0059 -6.9691 3   31.1461184  59516140411 6 5 2    10 7 3 2      C-13-H3C(O)CH3
  140604.7035  0.0057 -4.9526 3   62.4092296  59516140418 316 2    18 217 2      C-13-H3C(O)CH3
  140604.7035  0.0057 -7.5517 3   62.4092296  59516140418 216 2    18 217 2      C-13-H3C(O)CH3
  140604.7035  0.0057 -4.9515 3   62.4092296  59516140418 216 2    18 117 2      C-13-H3C(O)CH3
  140606.0708  0.0058 -4.9811 3   62.4097296  59516140418 316 1    18 217 1      C-13-H3C(O)CH3
  140606.0708  0.0058 -6.1366 3   62.4097296  59516140418 216 1    18 217 1      C-13-H3C(O)CH3
  140606.0708  0.0058 -6.1366 3   62.4097296  59516140418 316 1    18 117 1      C-13-H3C(O)CH3
  140606.0708  0.0058 -4.9811 3   62.4097296  59516140418 216 1    18 117 1      C-13-H3C(O)CH3
  140611.4946  0.0051 -6.3996 3   51.5777140  59516140417 216 3    17 117 3      C-13-H3C(O)CH3
  140611.4946  0.0051 -6.4247 3   51.5777140  59516140417 116 3    17 017 3      C-13-H3C(O)CH3
  140611.4946  0.0051 -5.5807 3   51.5777140  59516140417 116 3    17 117 3      C-13-H3C(O)CH3
  140611.4946  0.0051 -5.5844 3   51.5777140  59516140417 216 3    17 017 3      C-13-H3C(O)CH3
  140611.8085  0.0059 -7.2762 3   51.5777140  59516140417 116 4    17 117 4      C-13-H3C(O)CH3
  140611.8085  0.0059 -5.5303 3   51.5777140  59516140417 116 4    17 017 4      C-13-H3C(O)CH3
  140611.8085  0.0059 -5.5247 3   51.5777140  59516140417 216 4    17 117 4      C-13-H3C(O)CH3
  140617.7343  0.0066 -4.7473 3  291.8295504  5951614043125 6 2    3124 7 2      C-13-H3C(O)CH3
  140637.0825  0.0206 -5.1433 3  699.5347808  595161404503120 0    503021 0      C-13-H3C(O)CH3
  140648.5351  0.0059 -6.7253 3  229.9073488  595161404301218 1    291515 1      C-13-H3C(O)CH3
  140654.2606  0.0049 -6.8656 3   31.1480184  59516140411 6 5 1    10 7 3 1      C-13-H3C(O)CH3
  140654.6690  0.0069 -4.7468 3  291.8037504  5951614043125 7 1    3124 8 1      C-13-H3C(O)CH3
  140666.2476  0.0397 -5.9891 3  462.0503324  595161404402813 3    402713 3      C-13-H3C(O)CH3
  140673.9863  0.0051 -6.7216 3  229.9206488  595161404301218 0    291515 0      C-13-H3C(O)CH3
  140674.3817  0.0061 -7.0269 3  229.8899244  595161404301218 4    291515 4      C-13-H3C(O)CH3
  140674.6383  0.0057 -7.0269 3  229.8899244  595161404301218 3    291515 3      C-13-H3C(O)CH3
  140679.9724  0.0040 -4.7137 3   15.9021136  595161404 8 6 3 1     7 5 2 1      C-13-H3C(O)CH3
  140681.8857  0.0097 -6.5451 3  109.5427328  5951614042011 9 0    1914 6 0      C-13-H3C(O)CH3
  140700.1745  0.0059 -6.7222 3  229.9032488  595161404301218 2    291515 2      C-13-H3C(O)CH3
  140706.6618  0.5771 -7.4809 3 1819.1966652  595161404814932 4    814833 4      C-13-H3C(O)CH3
  140709.8630  0.0031 -4.9785 3   15.9642 68  595161404 8 6 3 3     7 5 2 3      C-13-H3C(O)CH3
  140712.1431  0.5762 -7.4809 3 1819.1968652  595161404814932 3    814833 3      C-13-H3C(O)CH3
  140725.4997  0.0238 -5.7876 3  528.2449696  595161404432914 1    432816 1      C-13-H3C(O)CH3
  140735.6289  0.0070 -4.7467 3  291.8511504  5951614043125 6 0    3124 7 0      C-13-H3C(O)CH3
  140736.8407  0.0070 -4.7467 3  291.8511504  5951614043125 7 0    3124 8 0      C-13-H3C(O)CH3
  140744.9153  0.8700 -7.1797 3 1819.1925D04  595161404814932 1    814833 1      C-13-H3C(O)CH3
  140746.3417  0.0026 -4.8496 3  253.1418252  595161404311417 3    311318 3      C-13-H3C(O)CH3
  140746.3717  0.0029 -4.8496 3  253.1418252  595161404311417 4    311318 4      C-13-H3C(O)CH3
  140753.7735  0.0026 -4.8495 3  253.1418252  595161404311517 3    311418 3      C-13-H3C(O)CH3
  140753.7765  0.0029 -4.8495 3  253.1418252  595161404311517 4    311418 4      C-13-H3C(O)CH3
  140760.9361  0.0306 -6.3826 3  528.2404348  595161404432914 3    432816 3      C-13-H3C(O)CH3
  140763.1411  0.0047 -4.7060 3   15.9008136  595161404 8 6 3 2     7 5 2 2      C-13-H3C(O)CH3
  140764.0284  0.0026 -4.5483 3  253.1590504  595161404311417 2    311318 2      C-13-H3C(O)CH3
  140771.5554  0.0026 -4.5483 3  253.1590504  595161404311517 2    311418 2      C-13-H3C(O)CH3
  140772.9412  0.0059 -6.7245 3  229.9032488  595161404301318 1    291415 1      C-13-H3C(O)CH3
  140783.4962  0.0026 -4.5483 3  253.1618504  595161404311417 1    311318 1      C-13-H3C(O)CH3
  140783.5357  0.0142 -7.6226 3  249.9914488  595161404301813 1    2921 9 1      C-13-H3C(O)CH3
  140785.6976  0.0182 -5.1426 3  699.5296808  595161404503120 1    503021 1      C-13-H3C(O)CH3
  140790.7213  0.0026 -4.5483 3  253.1618504  595161404311517 1    311418 1      C-13-H3C(O)CH3
  140800.1579  0.0062 -7.0261 3  229.8857244  595161404301318 4    291415 4      C-13-H3C(O)CH3
  140800.8034  0.0057 -7.0261 3  229.8857244  595161404301318 3    291415 3      C-13-H3C(O)CH3
  140800.9276  0.0051 -6.7208 3  229.9163488  595161404301318 0    291415 0      C-13-H3C(O)CH3
  140801.1722  0.0024 -4.5480 3  253.1789504  595161404311417 0    311318 0      C-13-H3C(O)CH3
  140808.4950  0.0024 -4.5480 3  253.1790504  595161404311517 0    311418 0      C-13-H3C(O)CH3
  140828.8148  0.0059 -6.7213 3  229.8989488  595161404301318 2    291415 2      C-13-H3C(O)CH3
  140836.6514  0.0215 -5.1424 3  699.5274808  595161404503120 2    503021 2      C-13-H3C(O)CH3
  140845.3504  0.0055 -5.1456 3   62.3472296  59516140418 316 0    18 217 0      C-13-H3C(O)CH3
  140845.3504  0.0055 -5.3896 3   62.3472296  59516140418 316 0    18 117 0      C-13-H3C(O)CH3
  140845.3504  0.0055 -5.3896 3   62.3472296  59516140418 216 0    18 217 0      C-13-H3C(O)CH3
  140845.3504  0.0055 -5.1456 3   62.3472296  59516140418 216 0    18 117 0      C-13-H3C(O)CH3
  140866.1114  0.0106 -6.3513 3   93.1992296  5951614041813 6 1    1810 8 1      C-13-H3C(O)CH3
  140868.7830  0.0090 -4.8296 3  462.0714648  595161404402812 0    402713 0      C-13-H3C(O)CH3
  140871.7297  0.0068 -5.3022 3   51.5056280  59516140417 216 2    17 017 2      C-13-H3C(O)CH3
  140871.7297  0.0068 -5.9770 3   51.5056280  59516140417 116 2    17 017 2      C-13-H3C(O)CH3
  140871.7297  0.0068 -5.3027 3   51.5056280  59516140417 116 2    17 117 2      C-13-H3C(O)CH3
  140871.7297  0.0068 -5.9794 3   51.5056280  59516140417 216 2    17 117 2      C-13-H3C(O)CH3
  140872.0149  0.0068 -5.2773 3   51.5060280  59516140417 116 1    17 117 1      C-13-H3C(O)CH3
  140872.0149  0.0068 -6.1237 3   51.5060280  59516140417 216 1    17 117 1      C-13-H3C(O)CH3
  140872.0149  0.0068 -5.2774 3   51.5060280  59516140417 216 1    17 017 1      C-13-H3C(O)CH3
  140872.0149  0.0068 -6.1244 3   51.5060280  59516140417 116 1    17 017 1      C-13-H3C(O)CH3
  140939.5764  0.0043 -5.8523 3    7.6235104  595161404 6 5 2 0     5 2 3 0      C-13-H3C(O)CH3
  140960.0169  0.0152 -5.4431 3  699.5221404  595161404503120 4    503021 4      C-13-H3C(O)CH3
  140968.4971  0.0118 -5.2518 3  218.3943212  5951614042624 2 4    2623 3 4      C-13-H3C(O)CH3
  141002.5146  0.0144 -5.0739 3  650.6626776  595161404483118 0    483019 0      C-13-H3C(O)CH3
  141010.7114  0.0199 -5.4424 3  699.5226404  595161404503120 3    503021 3      C-13-H3C(O)CH3
  141024.4597  0.0110 -4.8963 3  462.0591648  595161404402812 1    402713 1      C-13-H3C(O)CH3
  141041.5978  0.0101 -5.2511 3  218.3585212  5951614042624 3 3    2623 4 3      C-13-H3C(O)CH3
  141063.7138  0.0161 -5.1942 3  462.0503324  595161404402812 3    402713 3      C-13-H3C(O)CH3
  141096.1327  0.0031 -4.6726 3   15.8357136  595161404 8 6 3 0     7 5 2 0      C-13-H3C(O)CH3
  141129.3285  0.0126 -5.0772 3  650.6593776  595161404483118 1    483019 1      C-13-H3C(O)CH3
  141131.6325  0.0067 -5.2187 3   51.4341280  59516140417 116 0    17 117 0      C-13-H3C(O)CH3
  141131.6325  0.0067 -5.2188 3   51.4341280  59516140417 216 0    17 017 0      C-13-H3C(O)CH3
  141142.3593  0.0414 -5.7156 3  528.2467696  595161404432914 2    432816 2      C-13-H3C(O)CH3
  141152.0149  0.0063 -5.7015 3   55.0254232  5951614041410 5 0    1311 2 0      C-13-H3C(O)CH3
  141158.5000  0.0202 -7.3157 3  121.7837172  5951614042112 9 4    2015 6 4      C-13-H3C(O)CH3
  141161.5874  0.0108 -4.8589 3  462.0732648  595161404402812 2    402713 2      C-13-H3C(O)CH3
  141184.6163  0.0179 -5.3931 3  650.6543388  595161404483118 4    483019 4      C-13-H3C(O)CH3
  141196.3441  0.0181 -5.0804 3  650.6590776  595161404483118 2    483019 2      C-13-H3C(O)CH3
  141200.8087  0.0103 -5.1444 3  462.0659324  595161404402812 4    402713 4      C-13-H3C(O)CH3
  141203.1953  0.0104 -5.2505 3  218.3662212  5951614042624 2 3    2623 3 3      C-13-H3C(O)CH3
  141235.3408  0.0041 -4.6590 3  371.7415600  595161404371918 2    371819 2      C-13-H3C(O)CH3
  141241.1464  0.0102 -4.9496 3  218.4189424  5951614042624 2 1    2623 3 1      C-13-H3C(O)CH3
  141243.4074  0.0034 -4.6590 3  371.7701600  595161404371918 0    371819 0      C-13-H3C(O)CH3
  141261.9194  0.0044 -4.9598 3  371.7168300  595161404371918 3    371819 3      C-13-H3C(O)CH3
  141262.4017  0.0044 -4.9598 3  371.7167300  595161404371918 4    371819 4      C-13-H3C(O)CH3
  141269.2577  0.0095 -4.9496 3  218.4368424  5951614042624 2 2    2623 3 2      C-13-H3C(O)CH3
  141269.8992  0.0038 -4.6589 3  371.7454600  595161404371918 1    371819 1      C-13-H3C(O)CH3
  141275.4338  0.0108 -5.2499 3  218.3305212  5951614042624 3 4    2623 4 4      C-13-H3C(O)CH3
  141323.4538  0.0107 -6.4121 3   93.1915296  5951614041813 6 2    1810 8 2      C-13-H3C(O)CH3
  141341.6218  0.0102 -4.9489 3  218.4009424  5951614042624 3 2    2623 4 2      C-13-H3C(O)CH3
  141342.4027  0.2194 -5.6943 3 1010.3812968  595161404603822 0    603723 0      C-13-H3C(O)CH3
  141384.9867  0.0441 -7.5611 3  400.5783300  595161404372711 4    372611 4      C-13-H3C(O)CH3
  141426.8769  0.0101 -4.8939 3  462.0250648  595161404402813 1    402714 1      C-13-H3C(O)CH3
  141475.3118  0.0101 -4.9483 3  218.3908424  5951614042624 3 1    2623 4 1      C-13-H3C(O)CH3
  141477.3781  0.0240 -5.3733 3  650.6572388  595161404483118 3    483019 3      C-13-H3C(O)CH3
  141491.8079  0.0128 -5.1429 3  462.0025324  595161404402813 4    402714 4      C-13-H3C(O)CH3
  141528.0829  0.0034 -4.6573 3  371.7712600  595161404372018 0    371919 0      C-13-H3C(O)CH3
  141528.9028  0.0039 -4.6572 3  371.7426600  595161404372018 2    371919 2      C-13-H3C(O)CH3
  141542.3216  0.0107 -4.8568 3  462.0271648  595161404402813 2    402714 2      C-13-H3C(O)CH3
  141543.5760  0.0103 -4.9484 3  218.4612424  5951614042624 2 0    2623 3 0      C-13-H3C(O)CH3
  141543.5768  0.0103 -4.9484 3  218.4612424  5951614042624 3 0    2623 4 0      C-13-H3C(O)CH3
  141545.7906  0.0106 -6.2579 3   55.0758116  5951614041410 5 3    1311 2 3      C-13-H3C(O)CH3
  141555.3564  0.0037 -4.6572 3  371.7466600  595161404372018 1    371919 1      C-13-H3C(O)CH3
  141556.3271  0.0041 -4.9581 3  371.7179300  595161404372018 4    371919 4      C-13-H3C(O)CH3
  141556.3556  0.0041 -4.9581 3  371.7179300  595161404372018 3    371919 3      C-13-H3C(O)CH3
  141583.5644  0.0123 -6.7270 3  109.5276328  5951614042011 9 2    1914 6 2      C-13-H3C(O)CH3
  141585.0569  0.0118 -6.6054 3   50.3027216  5951614041311 2 0    13 8 5 0      C-13-H3C(O)CH3
  141593.9768  0.0087 -4.8252 3  462.0440648  595161404402813 0    402714 0      C-13-H3C(O)CH3
  141603.4095  0.0105 -4.9976 3  613.2389760  595161404472820 0    472721 0      C-13-H3C(O)CH3
  141615.3351  0.0160 -6.7627 3  599.2191744  595161404463016 1    462918 1      C-13-H3C(O)CH3
  141627.8676  0.0147 -5.1910 3  462.0182324  595161404402813 3    402714 3      C-13-H3C(O)CH3
  141651.4343  0.0116 -6.8700 3  109.5481164  5951614042011 9 3    1914 6 3      C-13-H3C(O)CH3
  141658.2018  0.0106 -4.9972 3  613.2259760  595161404472820 1    472721 1      C-13-H3C(O)CH3
  141664.4310  0.0091 -4.9971 3  613.2224760  595161404472820 2    472721 2      C-13-H3C(O)CH3
  141672.8287  0.0123 -6.4976 3   46.7822108  59516140413 9 4 4    1210 3 4      C-13-H3C(O)CH3
  141715.6565  0.0079 -5.2978 3  613.2094380  595161404472820 4    472721 4      C-13-H3C(O)CH3
  141723.9974  0.0077 -5.2977 3  613.2095380  595161404472820 3    472721 3      C-13-H3C(O)CH3
  141761.1795  0.0106 -6.3448 3   55.0686116  5951614041410 5 3    1311 3 3      C-13-H3C(O)CH3
  141762.0071  0.0514 -6.4492 3  507.2216340  595161404422914 4    422814 4      C-13-H3C(O)CH3
  141762.5591  0.0378 -6.9857 3  400.5974600  595161404372711 2    372611 2      C-13-H3C(O)CH3
  141764.2900  0.0049 -4.8052 3  485.4539680  595161404422419 0    422320 0      C-13-H3C(O)CH3
  141777.1665  0.0060 -4.8050 3  485.4286680  595161404422419 2    422320 2      C-13-H3C(O)CH3
  141782.8429  0.7880 -6.4060 3 1405.8765B44  595161404714427 0    714328 0      C-13-H3C(O)CH3
  141798.2613  0.0053 -4.8049 3  485.4328680  595161404422419 1    422320 1      C-13-H3C(O)CH3
  141799.6860  0.0569 -6.0314 3  528.2309348  595161404432914 4    432816 4      C-13-H3C(O)CH3
  141810.7413  0.0062 -5.1057 3  485.4074340  595161404422419 4    422320 4      C-13-H3C(O)CH3
  141811.9779  0.0061 -5.1057 3  485.4074340  595161404422419 3    422320 3      C-13-H3C(O)CH3
  141836.8144  0.0314 -6.4726 3  599.2191744  595161404463016 2    462918 2      C-13-H3C(O)CH3
  141842.2468  0.0129 -6.8805 3   50.3532216  5951614041311 2 1    13 8 5 1      C-13-H3C(O)CH3
  141844.6830  0.0049 -7.0925 3   32.9362 92  59516140411 8 4 4    11 5 7 4      C-13-H3C(O)CH3
  141856.8542  0.0075 -5.0405 3  343.8321276  5951614043426 8 3    3425 9 3      C-13-H3C(O)CH3
  141887.5213  0.0068 -5.8994 3  102.5508156  5951614041913 6 3    1910 9 3      C-13-H3C(O)CH3
  141891.9955  0.3587 -6.3385 3 1208.2929532  595161404663927 3    663828 3      C-13-H3C(O)CH3
  141894.0553  0.3567 -6.3385 3 1208.2930532  595161404663927 4    663828 4      C-13-H3C(O)CH3
  141928.0902  0.0085 -5.0409 3  343.8244276  5951614043426 9 4    342510 4      C-13-H3C(O)CH3
  141931.0218  0.0040 -6.4257 3  137.6934376  595161404231013 1    221310 1      C-13-H3C(O)CH3
  141932.9448  0.0039 -6.7283 3  137.6980188  595161404231013 3    221310 3      C-13-H3C(O)CH3
  141944.6315  0.0045 -6.7282 3  137.6977188  595161404231013 4    221310 4      C-13-H3C(O)CH3
  141954.2458  0.0071 -4.7497 3  343.8472552  5951614043426 9 1    3425 9 1      C-13-H3C(O)CH3
  141955.1339  0.0080 -5.0404 3  343.8305276  5951614043426 8 4    3425 9 4      C-13-H3C(O)CH3
  141956.2983  0.0038 -6.4212 3  137.6851376  595161404231013 0    221310 0      C-13-H3C(O)CH3
  141963.9128  0.0040 -6.4227 3  137.6895376  595161404231013 2    221310 2      C-13-H3C(O)CH3
  142000.3070  0.0240 -6.3542 3  343.8472552  5951614043426 8 1    3425 9 1      C-13-H3C(O)CH3
  142000.3222  0.0028 -4.8345 3  234.5823244  595161404301317 4    301218 4      C-13-H3C(O)CH3
  142000.3378  0.0025 -4.8345 3  234.5823244  595161404301317 3    301218 3      C-13-H3C(O)CH3
  142002.6846  0.0028 -4.8345 3  234.5823244  595161404301417 4    301318 4      C-13-H3C(O)CH3
  142002.7106  0.0025 -4.8345 3  234.5823244  595161404301417 3    301318 3      C-13-H3C(O)CH3
  142003.1217  0.0437 -6.8813 3  400.5689300  595161404372711 3    372611 3      C-13-H3C(O)CH3
  142004.3021  0.0231 -6.2158 3  400.5793600  595161404372711 1    372611 1      C-13-H3C(O)CH3
  142007.0339  0.0230 -6.3542 3  343.8455552  5951614043426 9 1    342510 1      C-13-H3C(O)CH3
  142019.6617  0.0070 -4.7391 3  343.8639552  5951614043426 8 2    3425 9 2      C-13-H3C(O)CH3
  142025.3338  0.0423 -5.9808 3  462.0182324  595161404402812 3    402714 3      C-13-H3C(O)CH3
  142026.6491  0.0077 -5.0398 3  343.8227276  5951614043426 9 3    342510 3      C-13-H3C(O)CH3
  142028.0023  0.3172 -5.6920 3 1010.3814968  595161404603822 2    603723 2      C-13-H3C(O)CH3
  142032.5291  0.0024 -4.5331 3  234.5964488  595161404301317 2    301218 2      C-13-H3C(O)CH3
  142034.9387  0.0024 -4.5331 3  234.5964488  595161404301417 2    301318 2      C-13-H3C(O)CH3
  142045.1661  0.0255 -5.6623 3  462.0250648  595161404402812 1    402714 1      C-13-H3C(O)CH3
  142049.6379  0.0025 -4.5332 3  234.5989488  595161404301317 1    301218 1      C-13-H3C(O)CH3
  142051.8478  0.0082 -6.1287 3   80.6491140  5951614041711 6 3    17 8 9 3      C-13-H3C(O)CH3
  142051.9429  0.0025 -4.5332 3  234.5989488  595161404301417 1    301318 1      C-13-H3C(O)CH3
  142053.0951  0.0071 -4.7491 3  343.8455552  5951614043426 8 1    342510 1      C-13-H3C(O)CH3
  142055.0421  0.2124 -5.6917 3 1010.3806968  595161404603822 1    603723 1      C-13-H3C(O)CH3
  142062.2951  0.0126 -6.8845 3   50.3481216  5951614041311 2 2    13 8 5 2      C-13-H3C(O)CH3
  142063.8929  0.0065 -5.8215 3   80.6177280  5951614041711 6 2    17 8 9 2      C-13-H3C(O)CH3
  142081.7844  0.0023 -4.5328 3  234.6129488  595161404301317 0    301218 0      C-13-H3C(O)CH3
  142084.1273  0.0023 -4.5328 3  234.6130488  595161404301417 0    301318 0      C-13-H3C(O)CH3
  142087.4496  0.0201 -5.3371 3  576.5281364  595161404453016 4    452917 4      C-13-H3C(O)CH3
  142092.8713  0.0070 -4.7389 3  343.8561552  5951614043426 9 2    342510 2      C-13-H3C(O)CH3
  142105.5005  0.0044 -5.8166 3   80.5893280  5951614041711 6 0    17 8 9 0      C-13-H3C(O)CH3
  142112.5827  0.0069 -4.7385 3  343.8789552  5951614043426 8 0    3425 9 0      C-13-H3C(O)CH3
  142119.8299  0.9665 -6.4044 3 1405.8768B44  595161404714427 2    714328 2      C-13-H3C(O)CH3
  142121.9860  0.0122 -6.7322 3  109.5178328  5951614042011 9 1    1914 6 1      C-13-H3C(O)CH3
  142126.3294  0.0069 -4.7384 3  343.8784552  5951614043426 9 0    342510 0      C-13-H3C(O)CH3
  142148.3467  0.0060 -5.8247 3   80.6207280  5951614041711 6 1    17 8 9 1      C-13-H3C(O)CH3
  142164.9676  0.0065 -6.1326 3   80.6493140  5951614041711 6 4    17 8 9 4      C-13-H3C(O)CH3
  142178.9848  0.2739 -6.0363 3 1208.2907A64  595161404663927 1    663828 1      C-13-H3C(O)CH3
  142182.1209  0.0131 -5.3911 3  206.1534204  5951614042524 1 4    2523 2 4      C-13-H3C(O)CH3
  142189.6173  0.0074 -5.8242 3   55.0159232  5951614041410 5 2    1311 3 2      C-13-H3C(O)CH3
  142232.6639  0.0056 -5.6130 3  102.5320312  5951614041913 6 1    1910 9 1      C-13-H3C(O)CH3
  142241.9323  0.0137 -5.0077 3  576.5376728  595161404453016 1    452917 1      C-13-H3C(O)CH3
  142252.4811  0.0178 -5.0243 3  576.5392728  595161404453016 2    452917 2      C-13-H3C(O)CH3
  142263.8953  0.0089 -5.0752 3  400.5689300  595161404372710 3    372611 3      C-13-H3C(O)CH3
  142282.6966  0.3758 -6.0360 3 1208.2992A64  595161404663927 2    663828 2      C-13-H3C(O)CH3
  142286.7137  0.0113 -5.3903 3  206.1132204  5951614042524 2 3    2523 3 3      C-13-H3C(O)CH3
  142290.8856  0.0112 -4.9648 3  576.5446728  595161404453016 0    452917 0      C-13-H3C(O)CH3
  142291.6013  0.0086 -6.0596 3   93.2228148  5951614041813 5 3    1810 8 3      C-13-H3C(O)CH3
  142308.2652  0.0162 -7.1717 3   50.3998108  5951614041311 2 4    13 8 5 4      C-13-H3C(O)CH3
  142318.2664  0.0084 -4.7831 3  400.5688600  595161404372711 1    372612 1      C-13-H3C(O)CH3
  142319.4855  0.0059 -5.6074 3  102.5260312  5951614041913 6 2    1910 9 2      C-13-H3C(O)CH3
  142320.2367  0.0083 -5.0695 3  400.5783300  595161404372710 4    372611 4      C-13-H3C(O)CH3
  142328.8248  0.0504 -6.4386 3  599.2106372  595161404463016 4    462918 4      C-13-H3C(O)CH3
  142340.5417  0.0078 -4.7829 3  400.5793600  595161404372710 1    372611 1      C-13-H3C(O)CH3
  142340.7855  0.0076 -4.7674 3  400.5998600  595161404372710 0    372611 0      C-13-H3C(O)CH3
  142359.9343  0.0078 -4.7698 3  400.5974600  595161404372710 2    372611 2      C-13-H3C(O)CH3
  142365.1089  0.0070 -5.8080 3   55.0066232  5951614041410 5 1    1311 3 1      C-13-H3C(O)CH3
  142381.3106  0.0100 -5.0694 3  400.5451300  595161404372711 4    372612 4      C-13-H3C(O)CH3
  142382.8866  0.0080 -6.5016 3   84.1530148  59516140418 910 4    1710 7 4      C-13-H3C(O)CH3
  142383.6181  0.0068 -5.9448 3  102.5514156  5951614041913 6 4    1910 9 4      C-13-H3C(O)CH3
  142391.4163  0.0043 -5.5938 3  102.5070312  5951614041913 6 0    1910 9 0      C-13-H3C(O)CH3
  142421.1048  0.0056 -6.5014 3   84.1516148  59516140418 910 3    1710 7 3      C-13-H3C(O)CH3
  142421.8779  0.0406 -5.8803 3  507.2223680  595161404422914 2    422814 2      C-13-H3C(O)CH3
  142424.4140  0.0077 -5.0711 3  276.9950244  5951614043025 6 3    3024 6 3      C-13-H3C(O)CH3
  142425.8615  0.0091 -5.0714 3  277.0098244  5951614043025 5 4    3024 6 4      C-13-H3C(O)CH3
  142437.3725  0.0092 -5.0744 3  400.5545300  595161404372711 3    372612 3      C-13-H3C(O)CH3
  142440.6574  0.0117 -5.3897 3  206.1242204  5951614042524 1 3    2523 2 3      C-13-H3C(O)CH3
  142454.8686  0.0075 -4.7667 3  400.5956600  595161404372711 0    372612 0      C-13-H3C(O)CH3
  142464.0822  0.0043 -6.7935 3    7.6953104  595161404 6 5 1 1     5 2 3 1      C-13-H3C(O)CH3
  142468.5482  0.0045 -6.8504 3    7.6942104  595161404 6 5 1 2     5 2 3 2      C-13-H3C(O)CH3
  142477.0792  0.0084 -4.7693 3  400.5736600  595161404372711 2    372612 2      C-13-H3C(O)CH3
  142487.9292  0.0118 -5.0888 3  206.1807408  5951614042524 1 1    2523 2 1      C-13-H3C(O)CH3
  142493.3281  0.0109 -5.0888 3  206.1992408  5951614042524 1 2    2523 2 2      C-13-H3C(O)CH3
  142523.8649  0.0035 -7.0329 3   32.9362 92  59516140411 8 4 3    11 5 7 3      C-13-H3C(O)CH3
  142525.2883  0.0058 -6.1965 3   84.1232296  59516140418 910 1    1710 7 1      C-13-H3C(O)CH3
  142536.2214  0.7359 -6.4025 3 1405.8629B44  595161404714427 1    714328 1      C-13-H3C(O)CH3
  142538.6512  0.1043 -7.4163 3  883.4471904  595161404563621 1    563521 1      C-13-H3C(O)CH3
  142544.2421  0.0442 -5.9799 3  462.0271648  595161404402812 2    402714 2      C-13-H3C(O)CH3
  142544.5004  0.0120 -5.3890 3  206.0841204  5951614042524 2 4    2523 3 4      C-13-H3C(O)CH3
  142572.3978  0.2848 -6.0348 3 1208.2968A64  595161404663927 0    663828 0      C-13-H3C(O)CH3
  142585.8120  0.0046 -6.7516 3   32.8809184  59516140411 8 4 1    11 5 7 1      C-13-H3C(O)CH3
  142587.5603  0.0074 -4.7697 3  277.0327488  5951614043025 5 1    3024 6 1      C-13-H3C(O)CH3
  142594.9691  0.1431 -7.2797 3  883.4467904  595161404563621 2    563521 2      C-13-H3C(O)CH3
  142596.0949  0.0087 -5.0702 3  276.9796244  5951614043025 6 4    3024 7 4      C-13-H3C(O)CH3
  142597.5863  0.0117 -5.0881 3  206.1590408  5951614042524 2 2    2523 3 2      C-13-H3C(O)CH3
  142598.4057  0.0080 -5.0704 3  276.9943244  5951614043025 5 3    3024 7 3      C-13-H3C(O)CH3
  142605.5116  0.0036 -5.9532 3   51.5078116  59516140414 8 7 4    13 9 4 4      C-13-H3C(O)CH3
  142610.4373  0.0175 -5.2134 3  558.3708364  595161404452520 3    452421 3      C-13-H3C(O)CH3
  142612.9976  0.0177 -5.2134 3  558.3708364  595161404452520 4    452421 4      C-13-H3C(O)CH3
  142616.9894  0.0186 -5.2781 3  576.5365364  595161404453016 3    452917 3      C-13-H3C(O)CH3
  142644.2597  0.0247 -5.6792 3  507.2101680  595161404422914 1    422814 1      C-13-H3C(O)CH3
  142644.9770  0.0171 -4.9123 3  558.3883728  595161404452520 2    452421 2      C-13-H3C(O)CH3
  142654.5059  0.0246 -6.2119 3  400.5688600  595161404372710 1    372612 1      C-13-H3C(O)CH3
  142666.1977  0.0074 -4.7692 3  277.0326488  5951614043025 6 2    3024 7 2      C-13-H3C(O)CH3
  142669.1726  0.0071 -4.7694 3  277.0475488  5951614043025 5 2    3024 6 2      C-13-H3C(O)CH3
  142684.7973  0.2783 -5.9887 3 1010.3805484  595161404603822 3    603723 3      C-13-H3C(O)CH3
  142687.3528  0.0052 -6.7465 3   32.8799184  59516140411 8 4 2    11 5 7 2      C-13-H3C(O)CH3
  142698.1461  0.0451 -6.8768 3  400.5545300  595161404372710 3    372612 3      C-13-H3C(O)CH3
  142701.7482  0.0057 -6.1909 3   84.1150296  59516140418 910 2    1710 7 2      C-13-H3C(O)CH3
  142717.2675  0.0087 -4.9120 3  558.3925728  595161404452520 1    452421 1      C-13-H3C(O)CH3
  142729.6086  0.0040 -6.8160 3    7.7664 52  595161404 6 5 1 4     5 2 3 4      C-13-H3C(O)CH3
  142746.4003  0.0116 -5.0875 3  206.1515408  5951614042524 2 1    2523 3 1      C-13-H3C(O)CH3
  142750.4030  0.0093 -4.9119 3  558.4100728  595161404452520 0    452421 0      C-13-H3C(O)CH3
  142758.6427  0.0074 -4.7687 3  277.0172488  5951614043025 6 1    3024 7 1      C-13-H3C(O)CH3
  142774.7201  0.0123 -7.4186 3  548.2041760  595161404471730 1    462027 1      C-13-H3C(O)CH3
  142774.7209  0.0123 -7.4186 3  548.2041760  595161404471830 1    461927 1      C-13-H3C(O)CH3
  142785.9486  0.0130 -7.4167 3  548.2027760  595161404471730 2    462027 2      C-13-H3C(O)CH3
  142785.9495  0.0130 -7.4167 3  548.2027760  595161404471830 2    461927 2      C-13-H3C(O)CH3
  142786.9229  0.3255 -5.9922 3 1010.3820484  595161404603822 4    603723 4      C-13-H3C(O)CH3
  142801.2425  0.0119 -5.0876 3  206.2265408  5951614042524 2 0    2523 3 0      C-13-H3C(O)CH3
  142801.2425  0.0119 -5.0876 3  206.2265408  5951614042524 1 0    2523 2 0      C-13-H3C(O)CH3
  142822.1795  0.0058 -6.1871 3   84.0861296  59516140418 910 0    1710 7 0      C-13-H3C(O)CH3
  142831.3185  0.0075 -4.7688 3  277.0701488  5951614043025 5 0    3024 6 0      C-13-H3C(O)CH3
  142831.5056  0.0075 -4.7688 3  277.0701488  5951614043025 6 0    3024 7 0      C-13-H3C(O)CH3
  142837.8350  0.0103 -7.4175 3  548.2255760  595161404471730 0    462027 0      C-13-H3C(O)CH3
  142837.8358  0.0103 -7.4175 3  548.2255760  595161404471830 0    461927 0      C-13-H3C(O)CH3
  142856.7026  0.1097 -7.1275 3  883.4541452  595161404563621 4    563521 4      C-13-H3C(O)CH3
  142871.1578  0.8171 -6.7020 3 1405.8634572  595161404714427 3    714328 3      C-13-H3C(O)CH3
  142874.3780  0.8480 -6.7020 3 1405.8635572  595161404714427 4    714328 4      C-13-H3C(O)CH3
  142920.2930  0.0031 -5.6246 3   51.4578232  59516140414 8 7 1    13 9 4 1      C-13-H3C(O)CH3
  142940.6147  0.0035 -5.6192 3   51.4553232  59516140414 8 7 2    13 9 4 2      C-13-H3C(O)CH3
  143021.9463  0.0040 -5.9172 3   51.4944116  59516140414 8 7 3    13 9 4 3      C-13-H3C(O)CH3
  143051.8355  0.0079 -6.0424 3   54.9977116  5951614041410 5 4    1311 3 4      C-13-H3C(O)CH3
  143057.0677  0.0091 -7.4030 3  401.3673324  595161404401525 3    391822 3      C-13-H3C(O)CH3
  143057.0825  0.0091 -7.4030 3  401.3673324  595161404401525 4    391822 4      C-13-H3C(O)CH3
  143057.2398  0.0091 -7.4030 3  401.3673324  595161404401625 3    391722 3      C-13-H3C(O)CH3
  143057.2537  0.0091 -7.4030 3  401.3673324  595161404401625 4    391722 4      C-13-H3C(O)CH3
  143058.3021  0.0015 -5.6073 3   51.4118232  59516140414 8 7 0    13 9 4 0      C-13-H3C(O)CH3
  143060.1875  0.0392 -5.9942 3  507.2038340  595161404422914 3    422814 3      C-13-H3C(O)CH3
  143069.0566  0.0092 -7.1021 3  401.3961648  595161404401525 1    391822 1      C-13-H3C(O)CH3
  143069.2154  0.0092 -7.1021 3  401.3961648  595161404401625 1    391722 1      C-13-H3C(O)CH3
  143074.4545  0.0403 -6.9776 3  400.5736600  595161404372710 2    372612 2      C-13-H3C(O)CH3
  143093.9539  0.0093 -7.0997 3  401.3936648  595161404401525 2    391822 2      C-13-H3C(O)CH3
  143094.1200  0.0093 -7.0997 3  401.3936648  595161404401625 2    391722 2      C-13-H3C(O)CH3
  143102.3194  0.0544 -6.5600 3  462.0025324  595161404402812 4    402714 4      C-13-H3C(O)CH3
  143104.4375  0.0027 -4.8238 3  216.5999236  595161404291217 4    291118 4      C-13-H3C(O)CH3
  143104.4840  0.0023 -4.8238 3  216.5999236  595161404291217 3    291118 3      C-13-H3C(O)CH3
  143105.1452  0.0027 -4.8238 3  216.5999236  595161404291317 4    291218 4      C-13-H3C(O)CH3
  143105.1954  0.0023 -4.8238 3  216.5999236  595161404291317 3    291218 3      C-13-H3C(O)CH3
  143105.8429  0.0080 -7.0999 3  401.4223648  595161404401525 0    391822 0      C-13-H3C(O)CH3
  143105.9961  0.0080 -7.0999 3  401.4223648  595161404401625 0    391722 0      C-13-H3C(O)CH3
  143138.7429  0.0042 -6.7234 3   32.8247184  59516140411 8 4 0    11 5 7 0      C-13-H3C(O)CH3
  143152.4685  0.0023 -4.5223 3  216.6102472  595161404291217 2    291118 2      C-13-H3C(O)CH3
  143153.1929  0.0023 -4.5223 3  216.6102472  595161404291317 2    291218 2      C-13-H3C(O)CH3
  143165.4669  0.0241 -5.1831 3  729.4270824  595161404513220 0    513121 0      C-13-H3C(O)CH3
  143167.5478  0.0023 -4.5223 3  216.6124472  595161404291217 1    291118 1      C-13-H3C(O)CH3
  143168.2384  0.0023 -4.5223 3  216.6124472  595161404291317 1    291218 1      C-13-H3C(O)CH3
  143172.6737  0.0099 -5.8747 3   93.1992296  5951614041813 5 1    1810 8 1      C-13-H3C(O)CH3
  143197.1829  0.0104 -4.8761 3  507.2173680  595161404422913 0    422814 0      C-13-H3C(O)CH3
  143215.4515  0.0022 -4.5218 3  216.6227472  595161404291217 0    291118 0      C-13-H3C(O)CH3
  143216.1556  0.0022 -4.5218 3  216.6227472  595161404291317 0    291218 0      C-13-H3C(O)CH3
  143217.8185  0.0107 -6.0384 3   55.1467116  5951614041410 4 4    1311 2 4      C-13-H3C(O)CH3
  143230.5035  0.0071 -4.7652 3  460.5559664  595161404412219 2    412120 2      C-13-H3C(O)CH3
  143239.7815  0.0147 -5.6567 3  194.4190196  5951614042424 0 4    2423 1 4      C-13-H3C(O)CH3
  143243.4525  0.0166 -7.0580 3  109.4959164  5951614042011 9 4    1914 6 4      C-13-H3C(O)CH3
  143248.3633  0.0078 -5.7513 3   93.1674296  5951614041813 5 0    1810 8 0      C-13-H3C(O)CH3
  143249.8697  0.0077 -5.0660 3  460.5332332  595161404412219 3    412120 3      C-13-H3C(O)CH3
  143251.0006  0.0076 -5.0660 3  460.5332332  595161404412219 4    412120 4      C-13-H3C(O)CH3
  143259.9712  0.0047 -4.7652 3  460.5828664  595161404412219 0    412120 0      C-13-H3C(O)CH3
  143279.5415  0.0051 -4.7650 3  460.5601664  595161404412219 1    412120 1      C-13-H3C(O)CH3
  143316.5607  0.0477 -7.5492 3  400.5451300  595161404372710 4    372612 4      C-13-H3C(O)CH3
  143345.1306  0.0098 -5.8589 3   93.1915296  5951614041813 5 2    1810 8 2      C-13-H3C(O)CH3
  143345.5249  0.0207 -5.1825 3  729.4255824  595161404513220 1    513121 1      C-13-H3C(O)CH3
  143376.0695  0.0127 -5.6558 3  194.3751196  5951614042424 1 3    2423 2 3      C-13-H3C(O)CH3
  143394.7418  0.0083 -5.8133 3   55.0868232  5951614041410 4 2    1311 2 2      C-13-H3C(O)CH3
  143403.7693  0.0279 -5.1824 3  729.4241824  595161404513220 2    513121 2      C-13-H3C(O)CH3
  143438.8764  0.0138 -4.9495 3  507.2101680  595161404422913 1    422814 1      C-13-H3C(O)CH3
  143448.7880  0.0056 -6.9501 3   38.0751100  59516140412 7 5 3    12 4 8 3      C-13-H3C(O)CH3
  143461.5580  0.0061 -6.6413 3   38.0209200  59516140412 7 5 2    12 4 8 2      C-13-H3C(O)CH3
  143462.3170  0.0036 -4.6239 3  349.7209584  595161404361818 2    361719 2      C-13-H3C(O)CH3
  143469.2296  0.0031 -4.6240 3  349.7491584  595161404361818 0    361719 0      C-13-H3C(O)CH3
  143483.7786  0.0039 -4.9248 3  349.6963292  595161404361818 3    361719 3      C-13-H3C(O)CH3
  143484.0505  0.0039 -4.9248 3  349.6963292  595161404361818 4    361719 4      C-13-H3C(O)CH3
  143490.6001  0.0035 -4.6239 3  349.7246584  595161404361818 1    361719 1      C-13-H3C(O)CH3
  143495.3984  0.0081 -6.9501 3   38.0751100  59516140412 7 5 4    12 4 8 4      C-13-H3C(O)CH3
  143497.8432  0.0221 -5.2473 3  507.2038340  595161404422913 3    422814 3      C-13-H3C(O)CH3
  143520.7190  0.0130 -5.6553 3  194.3892196  5951614042424 0 3    2423 1 3      C-13-H3C(O)CH3
  143523.0009  0.0086 -5.7968 3   55.0845232  5951614041410 4 1    1311 2 1      C-13-H3C(O)CH3
  143535.7680  0.0062 -7.4926 3    4.7506 88  595161404 5 5 1 1     4 2 3 1      C-13-H3C(O)CH3
  143538.0371  0.0199 -5.4839 3  729.4221412  595161404513220 4    513121 4      C-13-H3C(O)CH3
  143559.4392  0.0125 -5.3545 3  194.4683392  5951614042424 0 2    2423 1 2      C-13-H3C(O)CH3
  143564.1658  0.0060 -6.6364 3   37.9678200  59516140412 7 5 0    12 4 8 0      C-13-H3C(O)CH3
  143573.2820  0.0061 -6.6441 3   38.0219200  59516140412 7 5 1    12 4 8 1      C-13-H3C(O)CH3
  143574.9471  0.0136 -6.2381 3   93.2239148  5951614041813 5 4    1810 8 4      C-13-H3C(O)CH3
  143576.2137  0.0137 -5.3544 3  194.4495392  5951614042424 0 1    2423 1 1      C-13-H3C(O)CH3
  143579.5274  0.0036 -4.6232 3  349.7213584  595161404361918 2    361819 2      C-13-H3C(O)CH3
  143582.7301  0.0031 -4.6233 3  349.7496584  595161404361918 0    361819 0      C-13-H3C(O)CH3
  143601.1388  0.0038 -4.9242 3  349.6967292  595161404361918 3    361819 3      C-13-H3C(O)CH3
  143601.1711  0.0038 -4.9242 3  349.6967292  595161404361918 4    361819 4      C-13-H3C(O)CH3
  143604.2148  0.0035 -4.6232 3  349.7250584  595161404361918 1    361819 1      C-13-H3C(O)CH3
  143616.1859  0.0145 -4.9195 3  507.2223680  595161404422913 2    422814 2      C-13-H3C(O)CH3
  143628.8139  0.0289 -5.4819 3  729.4231412  595161404513220 3    513121 3      C-13-H3C(O)CH3
  143654.4292  0.0254 -5.9871 3  576.5376728  595161404453015 1    452917 1      C-13-H3C(O)CH3
  143656.4493  0.0133 -5.6544 3  194.3453196  5951614042424 1 4    2423 2 4      C-13-H3C(O)CH3
  143659.6593  0.0076 -7.5009 3    4.7501 88  595161404 5 5 1 2     4 2 3 2      C-13-H3C(O)CH3
  143667.1436  0.4990 -7.0800 3 1773.0557C88  595161404804832 2    804733 2      C-13-H3C(O)CH3
  143668.4763  0.5886 -7.0800 3 1773.0522C88  595161404804832 0    804733 0      C-13-H3C(O)CH3
  143669.4922  0.0558 -6.3304 3  554.5180356  595161404443015 4    442915 4      C-13-H3C(O)CH3
  143695.8046  0.0134 -5.3536 3  194.4243392  5951614042424 1 2    2423 2 2      C-13-H3C(O)CH3
  143704.6584  0.0294 -6.7614 3  576.5365364  595161404453015 3    452917 3      C-13-H3C(O)CH3
  143707.9659  0.4453 -7.3806 3 1773.0315644  595161404804832 4    804733 4      C-13-H3C(O)CH3
  143712.9767  0.4541 -7.3805 3 1773.0315644  595161404804832 3    804733 3      C-13-H3C(O)CH3
  143713.2564  0.5692 -7.0795 3 1773.0279C88  595161404804832 1    804733 1      C-13-H3C(O)CH3
  143727.7993  0.0131 -5.1983 3  507.2216340  595161404422913 4    422814 4      C-13-H3C(O)CH3
  143857.5695  0.0134 -5.3529 3  194.4197392  5951614042424 1 1    2423 2 1      C-13-H3C(O)CH3
  143861.0270  0.0082 -4.9440 3  585.5656744  595161404462720 0    462621 0      C-13-H3C(O)CH3
  143893.5076  0.0084 -4.9437 3  585.5470744  595161404462720 2    462621 2      C-13-H3C(O)CH3
  143898.3648  0.0137 -5.3531 3  194.4988392  5951614042424 1 0    2423 2 0      C-13-H3C(O)CH3
  143898.3648  0.0137 -5.3531 3  194.4988392  5951614042424 0 0    2423 1 0      C-13-H3C(O)CH3
  143900.0422  0.0087 -4.9437 3  585.5506744  595161404462720 1    462621 1      C-13-H3C(O)CH3
  143930.8008  0.0083 -5.2444 3  585.5319372  595161404462720 4    462621 4      C-13-H3C(O)CH3
  143935.2518  0.0081 -5.2444 3  585.5320372  595161404462720 3    462621 3      C-13-H3C(O)CH3
  144003.6855  0.0068 -7.6101 3  107.3008164  595161404201010 4    1913 6 4      C-13-H3C(O)CH3
  144004.8373  0.0197 -5.1436 3  704.2259808  595161404503219 0    503120 0      C-13-H3C(O)CH3
  144020.3656  0.0453 -5.8516 3  576.5392728  595161404453015 2    452917 2      C-13-H3C(O)CH3
  144028.5130  0.1539 -5.5689 3  945.8292936  595161404583721 0    583622 0      C-13-H3C(O)CH3
  144050.8000  0.0074 -5.6777 3   55.0242232  5951614041410 4 0    1311 3 0      C-13-H3C(O)CH3
  144077.9397  0.0027 -4.8176 3  199.1970228  595161404281117 4    281018 4      C-13-H3C(O)CH3
  144078.0055  0.0023 -4.8176 3  199.1970228  595161404281117 3    281018 3      C-13-H3C(O)CH3
  144078.1378  0.0027 -4.8176 3  199.1970228  595161404281217 4    281118 4      C-13-H3C(O)CH3
  144078.2049  0.0023 -4.8176 3  199.1970228  595161404281217 3    281118 3      C-13-H3C(O)CH3
  144122.4838  0.0068 -6.8062 3  276.9470536  595161404331320 1    321617 1      C-13-H3C(O)CH3
  144128.4277  0.0051 -7.5153 3    4.8234 44  595161404 5 5 0 3     4 2 3 3      C-13-H3C(O)CH3
  144142.1628  0.0069 -7.1075 3  276.9234268  595161404331320 4    321617 4      C-13-H3C(O)CH3
  144142.2962  0.0066 -7.1076 3  276.9234268  595161404331320 3    321617 3      C-13-H3C(O)CH3
  144142.9827  0.0023 -4.5160 3  199.2029456  595161404281117 2    281018 2      C-13-H3C(O)CH3
  144143.1864  0.0023 -4.5160 3  199.2029456  595161404281217 2    281118 2      C-13-H3C(O)CH3
  144145.6515  0.0069 -6.8061 3  276.9463536  595161404331420 1    321517 1      C-13-H3C(O)CH3
  144146.6168  0.0059 -6.8030 3  276.9668536  595161404331320 0    321617 0      C-13-H3C(O)CH3
  144156.2549  0.0023 -4.5161 3  199.2048456  595161404281117 1    281018 1      C-13-H3C(O)CH3
  144156.4483  0.0023 -4.5161 3  199.2048456  595161404281217 1    281118 1      C-13-H3C(O)CH3
  144165.9079  0.0479 -7.4581 3  442.5729316  595161404392812 4    392712 4      C-13-H3C(O)CH3
  144165.9221  0.0069 -7.1074 3  276.9226268  595161404331420 4    321517 4      C-13-H3C(O)CH3
  144166.1293  0.0067 -7.1074 3  276.9226268  595161404331420 3    321517 3      C-13-H3C(O)CH3
  144166.5378  0.0068 -6.8033 3  276.9432536  595161404331320 2    321617 2      C-13-H3C(O)CH3
  144170.0281  0.0059 -6.8029 3  276.9660536  595161404331420 0    321517 0      C-13-H3C(O)CH3
  144172.3456  0.0167 -5.1448 3  704.2257808  595161404503219 1    503120 1      C-13-H3C(O)CH3
  144188.3171  0.0115 -4.9452 3  507.1586680  595161404422914 1    422815 1      C-13-H3C(O)CH3
  144190.6084  0.0068 -6.8032 3  276.9424536  595161404331420 2    321517 2      C-13-H3C(O)CH3
  144199.0397  0.0100 -5.1081 3  262.7538236  5951614042925 4 4    2924 5 4      C-13-H3C(O)CH3
  144221.1137  0.0022 -4.5154 3  199.2107456  595161404281117 0    281018 0      C-13-H3C(O)CH3
  144221.3115  0.0022 -4.5154 3  199.2107456  595161404281217 0    281118 0      C-13-H3C(O)CH3
  144228.1715  0.0086 -5.1077 3  262.7336236  5951614042925 5 3    2924 6 3      C-13-H3C(O)CH3
  144237.2569  0.0151 -5.1956 3  507.1391340  595161404422914 4    422815 4      C-13-H3C(O)CH3
  144238.6197  0.0243 -5.1461 3  704.2252808  595161404503219 2    503120 2      C-13-H3C(O)CH3
  144277.0960  0.0128 -4.9158 3  507.1604680  595161404422914 2    422815 2      C-13-H3C(O)CH3
  144297.3788  0.0196 -5.4535 3  704.2240404  595161404503219 4    503120 4      C-13-H3C(O)CH3
  144313.0721  0.0013 -4.7897 3   28.1184 92  59516140411 4 7 3    10 5 6 3      C-13-H3C(O)CH3
  144316.9537  0.0014 -4.7897 3   28.1183 92  59516140411 4 7 4    10 5 6 4      C-13-H3C(O)CH3
  144345.7307  0.2814 -6.1324 3 1100.6652508  595161404633726 3    633627 3      C-13-H3C(O)CH3
  144348.5769  0.2796 -6.1324 3 1100.6652508  595161404633726 4    633627 4      C-13-H3C(O)CH3
  144357.6972  0.0100 -4.8693 3  507.1730680  595161404422914 0    422815 0      C-13-H3C(O)CH3
  144358.4435  0.0413 -5.8163 3  554.5136712  595161404443015 2    442915 2      C-13-H3C(O)CH3
  144374.3350  0.0015 -4.4889 3   28.0599184  59516140411 4 7 2    10 5 6 2      C-13-H3C(O)CH3
  144377.1423  0.0016 -4.4886 3   28.0608184  59516140411 4 7 1    10 5 6 1      C-13-H3C(O)CH3
  144379.7922  0.0024 -5.7369 3   15.9021136  595161404 8 6 2 1     7 5 2 1      C-13-H3C(O)CH3
  144384.2116  0.0044 -4.7587 3  460.5882664  595161404412319 0    412220 0      C-13-H3C(O)CH3
  144384.3154  0.0024 -5.8190 3   15.9008136  595161404 8 6 2 2     7 5 2 2      C-13-H3C(O)CH3
  144392.1646  0.0055 -4.7585 3  460.5616664  595161404412319 2    412220 2      C-13-H3C(O)CH3
  144399.3626  0.0089 -5.1071 3  262.7365236  5951614042925 4 3    2924 5 3      C-13-H3C(O)CH3
  144401.5268  0.0083 -4.8063 3  262.7786472  5951614042925 4 1    2924 5 1      C-13-H3C(O)CH3
  144405.6547  0.0019 -7.6153 3   14.6785 68  595161404 8 5 4 4     7 4 4 4      C-13-H3C(O)CH3
  144412.5905  0.0124 -7.4327 3  311.9972552  595161404341817 1    332112 1      C-13-H3C(O)CH3
  144416.6633  0.0048 -4.7584 3  460.5657664  595161404412319 1    412220 1      C-13-H3C(O)CH3
  144424.5590  0.0057 -5.0593 3  460.5390332  595161404412319 4    412220 4      C-13-H3C(O)CH3
  144425.0971  0.0057 -5.0593 3  460.5391332  595161404412319 3    412220 3      C-13-H3C(O)CH3
  144427.5292  0.0095 -5.1066 3  262.7163236  5951614042925 5 4    2924 6 4      C-13-H3C(O)CH3
  144436.3183  0.0016 -4.4888 3   28.0025184  59516140411 4 7 0    10 5 6 0      C-13-H3C(O)CH3
  144438.9491  0.0020 -5.5886 3   15.9704 68  595161404 8 6 2 4     7 5 2 4      C-13-H3C(O)CH3
  144451.4825  0.0074 -5.0422 3  327.5036268  5951614043326 7 3    3325 8 3      C-13-H3C(O)CH3
  144458.8542  0.0078 -4.8061 3  262.7950472  5951614042925 4 2    2924 5 2      C-13-H3C(O)CH3
  144466.2378  0.0192 -5.2418 3  507.1569340  595161404422914 3    422815 3      C-13-H3C(O)CH3
  144486.7986  0.0083 -4.8057 3  262.7747472  5951614042925 5 2    2924 6 2      C-13-H3C(O)CH3
  144498.9161  0.0085 -5.0414 3  327.5021268  5951614043326 7 4    3325 8 4      C-13-H3C(O)CH3
  144513.1709  0.0124 -7.4285 3  311.9892552  595161404341817 2    332112 2      C-13-H3C(O)CH3
  144517.7800  0.0105 -6.3213 3   55.0758116  5951614041410 4 3    1311 2 3      C-13-H3C(O)CH3
  144518.5949  0.0305 -5.4425 3  704.2263404  595161404503219 3    503120 3      C-13-H3C(O)CH3
  144541.4884  0.0271 -5.7132 3  554.5037712  595161404443015 1    442915 1      C-13-H3C(O)CH3
  144558.3250  0.5880 -7.1314 3 1642.7646620  595161404774631 4    774532 4      C-13-H3C(O)CH3
  144561.6697  0.5918 -7.1314 3 1642.7646620  595161404774631 3    774532 3      C-13-H3C(O)CH3
  144574.3889  0.0070 -4.7400 3  327.5250536  5951614043326 7 1    3325 8 1      C-13-H3C(O)CH3
  144578.1460  0.0084 -5.0406 3  327.4993268  5951614043326 8 4    3325 9 4      C-13-H3C(O)CH3
  144589.9484  0.5266 -6.8302 3 1642.7616C40  595161404774631 1    774532 1      C-13-H3C(O)CH3
  144594.1101  0.0114 -7.4256 3  312.0134552  595161404341817 0    332112 0      C-13-H3C(O)CH3
  144600.7754  0.0083 -4.8052 3  262.7612472  5951614042925 5 1    2924 6 1      C-13-H3C(O)CH3
  144616.2046  0.6978 -7.3326 3 1908.1242D36  595161404835033 2    834934 2      C-13-H3C(O)CH3
  144626.2650  0.0077 -5.0415 3  327.4978268  5951614043326 8 3    3325 9 3      C-13-H3C(O)CH3
  144638.8046  0.0071 -4.7407 3  327.5383536  5951614043326 8 2    3325 8 2      C-13-H3C(O)CH3
  144643.9299  0.0344 -7.3576 3  327.5383536  5951614043326 7 2    3325 8 2      C-13-H3C(O)CH3
  144646.8973  0.8794 -7.3324 3 1908.1193D36  595161404835033 0    834934 0      C-13-H3C(O)CH3
  144662.4038  0.0084 -4.8053 3  262.8195472  5951614042925 4 0    2924 5 0      C-13-H3C(O)CH3
  144662.4285  0.0084 -4.8053 3  262.8195472  5951614042925 5 0    2924 6 0      C-13-H3C(O)CH3
  144667.2416  0.0051 -7.1656 3    4.6776 88  595161404 5 5 0 0     4 2 3 0      C-13-H3C(O)CH3
  144673.0372  0.5994 -6.8302 3 1642.7846C40  595161404774631 2    774532 2      C-13-H3C(O)CH3
  144679.4687  0.1530 -5.5679 3  945.8320936  595161404583721 1    583622 1      C-13-H3C(O)CH3
  144682.2989  0.0231 -5.3905 3  626.9588380  595161404473117 4    473018 4      C-13-H3C(O)CH3
  144683.0777  0.0357 -7.3572 3  327.5368536  5951614043326 8 2    3325 9 2      C-13-H3C(O)CH3
  144688.2030  0.0069 -4.7407 3  327.5368536  5951614043326 7 2    3325 9 2      C-13-H3C(O)CH3
  144694.6074  0.2079 -5.8299 3 1100.6632A16  595161404633726 1    633627 1      C-13-H3C(O)CH3
  144699.8939  0.0072 -4.7393 3  327.5206536  5951614043326 8 1    3325 9 1      C-13-H3C(O)CH3
  144703.5175  0.5319 -6.8301 3 1642.7816C40  595161404774631 0    774532 0      C-13-H3C(O)CH3
  144714.1426  0.0412 -6.8061 3  442.5832632  595161404392812 2    392712 2      C-13-H3C(O)CH3
  144721.8015  0.2398 -5.5682 3  945.8318936  595161404583721 2    583622 2      C-13-H3C(O)CH3
  144733.1689  0.0124 -6.2322 3   55.0686116  5951614041410 4 3    1311 3 3      C-13-H3C(O)CH3
  144736.7629  0.0652 -6.0807 3  576.5281364  595161404453015 4    452917 4      C-13-H3C(O)CH3
  144762.1346  0.0071 -4.7394 3  327.5595536  5951614043326 7 0    3325 8 0      C-13-H3C(O)CH3
  144763.7532  0.2961 -5.8296 3 1100.6683A16  595161404633726 2    633627 2      C-13-H3C(O)CH3
  144764.7857  0.0071 -4.7393 3  327.5594536  5951614043326 8 0    3325 9 0      C-13-H3C(O)CH3
  144793.3044  0.0133 -5.0273 3  626.9666760  595161404473117 0    473018 0      C-13-H3C(O)CH3
  144810.6308  0.0147 -5.0533 3  626.9638760  595161404473117 1    473018 1      C-13-H3C(O)CH3
  144831.9576  0.0189 -5.0676 3  626.9650760  595161404473117 2    473018 2      C-13-H3C(O)CH3
  144839.7594  0.8034 -7.3313 3 1908.0925D36  595161404835033 1    834934 1      C-13-H3C(O)CH3
  144846.8819  0.0157 -6.9237 3   66.1994124  5951614041512 4 4    15 9 6 4      C-13-H3C(O)CH3
  144903.8935  0.0431 -5.9832 3  507.1569340  595161404422913 3    422815 3      C-13-H3C(O)CH3
  144936.3031  0.0028 -4.8166 3  182.3762220  595161404271017 4    27 918 4      C-13-H3C(O)CH3
  144936.3547  0.0028 -4.8166 3  182.3762220  595161404271117 4    271018 4      C-13-H3C(O)CH3
  144936.3779  0.0023 -4.8166 3  182.3762220  595161404271017 3    27 918 3      C-13-H3C(O)CH3
  144936.4299  0.0023 -4.8166 3  182.3762220  595161404271117 3    271018 3      C-13-H3C(O)CH3
  144952.1404  0.6519 -6.2525 3 1329.5369B12  595161404694326 0    694227 0      C-13-H3C(O)CH3
  144958.4621  0.0013 -4.7846 3   28.1009 92  59516140411 5 7 4    10 4 6 4      C-13-H3C(O)CH3
  144962.8913  0.0014 -4.7846 3   28.1008 92  59516140411 5 7 3    10 4 6 3      C-13-H3C(O)CH3
  144975.8898  0.0254 -6.2699 3  442.5654632  595161404392812 1    392712 1      C-13-H3C(O)CH3
  144982.9338  0.0289 -5.6654 3  507.1586680  595161404422913 1    422815 1      C-13-H3C(O)CH3
  145004.5501  0.0061 -7.4360 3    4.7501 88  595161404 5 5 0 2     4 2 3 2      C-13-H3C(O)CH3
  145010.8665  0.0059 -7.4423 3    4.7506 88  595161404 5 5 0 1     4 2 3 1      C-13-H3C(O)CH3
  145019.4491  0.0022 -4.5148 3  182.3770440  595161404271017 2    27 918 2      C-13-H3C(O)CH3
  145019.5023  0.0022 -4.5148 3  182.3770440  595161404271117 2    271018 2      C-13-H3C(O)CH3
  145031.0726  0.0022 -4.5149 3  182.3786440  595161404271017 1    27 918 1      C-13-H3C(O)CH3
  145031.1229  0.0022 -4.5149 3  182.3786440  595161404271117 1    271018 1      C-13-H3C(O)CH3
  145033.8201  0.0016 -4.4834 3   28.0430184  59516140411 5 7 1    10 4 6 1      C-13-H3C(O)CH3
  145036.5692  0.0139 -7.3233 3  622.4313760  595161404473017 2    472919 2      C-13-H3C(O)CH3
  145042.1652  0.0016 -4.4836 3   28.0418184  59516140411 5 7 2    10 4 6 2      C-13-H3C(O)CH3
  145075.6011  0.0378 -6.1265 3  554.5004356  595161404443015 3    442915 3      C-13-H3C(O)CH3
  145113.1477  0.2175 -5.8282 3 1100.6661A16  595161404633726 0    633627 0      C-13-H3C(O)CH3
  145113.9853  0.0021 -4.5141 3  182.3794440  595161404271017 0    27 918 0      C-13-H3C(O)CH3
  145114.0370  0.0021 -4.5141 3  182.3794440  595161404271117 0    271018 0      C-13-H3C(O)CH3
  145115.1466  0.0016 -4.4834 3   27.9841184  59516140411 5 7 0    10 4 6 0      C-13-H3C(O)CH3
  145160.3914  0.0675 -6.9655 3  823.2267872  595161404543520 1    543420 1      C-13-H3C(O)CH3
  145178.5929  0.0124 -4.9314 3  554.5065712  595161404443014 0    442915 0      C-13-H3C(O)CH3
  145186.8801  0.0471 -6.5375 3  442.5566316  595161404392812 3    392712 3      C-13-H3C(O)CH3
  145187.4408  0.0191 -7.5391 3  307.1705536  595161404332112 0    3224 9 0      C-13-H3C(O)CH3
  145200.1881  0.0302 -5.3240 3  636.3464388  595161404482721 3    482622 3      C-13-H3C(O)CH3
  145203.3959  0.0307 -5.3240 3  636.3464388  595161404482721 4    482622 4      C-13-H3C(O)CH3
  145203.7904  0.0119 -6.6175 3   89.8450280  5951614041715 3 0    1616 0 0      C-13-H3C(O)CH3
  145204.3288  0.0119 -6.6175 3   89.8450280  5951614041715 2 0    1616 1 0      C-13-H3C(O)CH3
  145207.3926  0.0213 -5.3321 3  626.9657380  595161404473117 3    473018 3      C-13-H3C(O)CH3
  145215.0633  0.0853 -6.8086 3  823.2268872  595161404543520 2    543420 2      C-13-H3C(O)CH3
  145224.9505  0.0601 -6.2558 3  603.9582372  595161404463116 4    463016 4      C-13-H3C(O)CH3
  145230.2537  0.0815 -6.7585 3  823.2363436  595161404543520 4    543420 4      C-13-H3C(O)CH3
  145279.6326  0.0250 -7.1796 3  622.4232380  595161404473017 4    472919 4      C-13-H3C(O)CH3
  145280.5437  0.2095 -5.8638 3  945.8338468  595161404583721 3    583622 3      C-13-H3C(O)CH3
  145292.1791  0.0304 -5.0227 3  636.3593776  595161404482721 2    482622 2      C-13-H3C(O)CH3
  145365.2119  0.0153 -5.0223 3  636.3628776  595161404482721 1    482622 1      C-13-H3C(O)CH3
  145373.0507  0.0033 -4.5931 3  328.2627568  595161404351718 2    351619 2      C-13-H3C(O)CH3
  145381.0029  0.8214 -6.2506 3 1329.5381B12  595161404694326 2    694227 2      C-13-H3C(O)CH3
  145383.1614  0.0029 -4.5930 3  328.2901568  595161404351718 0    351619 0      C-13-H3C(O)CH3
  145387.0479  0.0035 -4.8940 3  328.2386284  595161404351718 3    351619 3      C-13-H3C(O)CH3
  145387.1935  0.0036 -4.8940 3  328.2386284  595161404351718 4    351619 4      C-13-H3C(O)CH3
  145394.8798  0.0108 -6.6154 3   89.8729280  5951614041715 2 2    1616 0 2      C-13-H3C(O)CH3
  145397.0839  0.0033 -4.5930 3  328.2660568  595161404351718 1    351619 1      C-13-H3C(O)CH3
  145417.5071  0.0033 -4.5928 3  328.2628568  595161404351818 2    351719 2      C-13-H3C(O)CH3
  145421.0658  0.0218 -5.1599 3  724.5763824  595161404513121 0    513022 0      C-13-H3C(O)CH3
  145422.2370  0.0014 -4.6398 3   30.8566100  59516140412 3 9 3    11 4 8 3      C-13-H3C(O)CH3
  145422.3433  0.0014 -4.6398 3   30.8566100  59516140412 3 9 4    11 4 8 4      C-13-H3C(O)CH3
  145426.1537  0.0029 -4.5928 3  328.2902568  595161404351818 0    351719 0      C-13-H3C(O)CH3
  145428.4735  0.0014 -4.6398 3   30.8565100  59516140412 4 9 3    11 3 8 3      C-13-H3C(O)CH3
  145428.4909  0.0014 -4.6398 3   30.8565100  59516140412 4 9 4    11 3 8 4      C-13-H3C(O)CH3
  145428.7351  0.0243 -7.0655 3  382.6894584  595161404362710 1    362610 1      C-13-H3C(O)CH3
  145431.4766  0.0035 -4.8938 3  328.2388284  595161404351818 3    351719 3      C-13-H3C(O)CH3
  145431.5148  0.0035 -4.8938 3  328.2387284  595161404351818 4    351719 4      C-13-H3C(O)CH3
  145440.0351  0.0032 -4.5928 3  328.2662568  595161404351818 1    351719 1      C-13-H3C(O)CH3
  145449.7246  0.2602 -5.8721 3  945.8362468  595161404583721 4    583622 4      C-13-H3C(O)CH3
  145453.3620  0.0085 -4.7977 3  442.5782632  595161404392811 0    392712 0      C-13-H3C(O)CH3
  145454.7281  0.0171 -5.0220 3  636.3757776  595161404482721 0    482622 0      C-13-H3C(O)CH3
  145471.4040  0.0485 -5.8622 3  507.1604680  595161404422913 2    422815 2      C-13-H3C(O)CH3
  145473.5068  0.0016 -4.3386 3   30.7980200  59516140412 3 9 1    11 4 8 1      C-13-H3C(O)CH3
  145474.1765  0.0016 -4.3387 3   30.7973200  59516140412 3 9 2    11 4 8 2      C-13-H3C(O)CH3
  145479.8201  0.0016 -4.3385 3   30.7979200  59516140412 4 9 1    11 3 8 1      C-13-H3C(O)CH3
  145480.6518  0.0016 -4.3387 3   30.7971200  59516140412 4 9 2    11 3 8 2      C-13-H3C(O)CH3
  145483.2018  0.0101 -5.1144 3  442.5566316  595161404392811 3    392712 3      C-13-H3C(O)CH3
  145497.2484  0.0180 -5.0088 3  554.5037712  595161404443014 1    442915 1      C-13-H3C(O)CH3
  145508.1253  0.0087 -4.8122 3  442.5654632  595161404392811 1    392712 1      C-13-H3C(O)CH3
  145519.2405  0.0120 -6.2501 3   55.0159232  5951614041410 4 2    1311 3 2      C-13-H3C(O)CH3
  145525.2873  0.0016 -4.3384 3   30.7389200  59516140412 3 9 0    11 4 8 0      C-13-H3C(O)CH3
  145526.5000  0.0202 -5.1593 3  724.5712824  595161404513121 1    513022 1      C-13-H3C(O)CH3
  145527.5919  0.0088 -5.0999 3  442.5729316  595161404392811 4    392712 4      C-13-H3C(O)CH3
  145529.0281  0.0095 -4.8121 3  442.5469632  595161404392812 1    392713 1      C-13-H3C(O)CH3
  145531.8836  0.0016 -4.3384 3   30.7387200  59516140412 4 9 0    11 3 8 0      C-13-H3C(O)CH3
  145542.5402  0.0085 -4.8014 3  442.5832632  595161404392811 2    392712 2      C-13-H3C(O)CH3
  145547.0826  0.0116 -6.6145 3   89.8592280  5951614041715 2 1    1616 0 1      C-13-H3C(O)CH3
  145549.6686  0.0181 -5.1592 3  724.5691824  595161404513121 2    513022 2      C-13-H3C(O)CH3
  145550.2245  1.7698 -7.2501 3 1865.8175D20  595161404825032 2    824933 2      C-13-H3C(O)CH3
  145553.9350  0.0083 -5.0539 3  382.6772292  5951614043627 9 3    362610 3      C-13-H3C(O)CH3
  145575.0004  0.0285 -5.2898 3  554.5004356  595161404443014 3    442915 3      C-13-H3C(O)CH3
  145609.3073  0.0121 -6.6149 3   89.7790280  5951614041715 3 1    1616 1 1      C-13-H3C(O)CH3
  145625.2848  0.0078 -4.7543 3  382.6828584  595161404362710 1    362611 1      C-13-H3C(O)CH3
  145631.0729  0.0084 -5.0530 3  382.6837292  5951614043627 9 4    362610 4      C-13-H3C(O)CH3
  145637.8041  0.0115 -5.0996 3  442.5238316  595161404392812 4    392713 4      C-13-H3C(O)CH3
  145639.6522  0.0271 -5.2107 3  755.0539840  595161404523221 0    523122 0      C-13-H3C(O)CH3
  145644.7399  0.0092 -5.0532 3  382.6599292  595161404362710 4    362611 4      C-13-H3C(O)CH3
  145644.9281  0.0121 -6.6141 3   89.7904280  5951614041715 3 2    1616 1 2      C-13-H3C(O)CH3
  145645.2594  0.0118 -5.4598 3  724.5639412  595161404513121 4    513022 4      C-13-H3C(O)CH3
  145645.7158  1.5927 -7.2496 3 1865.8129D20  595161404825032 0    824933 0      C-13-H3C(O)CH3
  145652.0311  0.0084 -4.7966 3  442.5709632  595161404392812 0    392713 0      C-13-H3C(O)CH3
  145666.9188  0.0138 -5.4596 3  724.5642412  595161404513121 3    513022 3      C-13-H3C(O)CH3
  145676.8310  0.0076 -4.7521 3  382.7081584  5951614043627 9 2    362610 2      C-13-H3C(O)CH3
  145681.9394  0.0105 -5.1135 3  442.5401316  595161404392812 3    392713 3      C-13-H3C(O)CH3
  145690.1579  0.0097 -4.8008 3  442.5506632  595161404392812 2    392713 2      C-13-H3C(O)CH3
  145692.4390  0.0030 -4.8212 3  166.1396212  59516140426 917 4    26 818 4      C-13-H3C(O)CH3
  145692.4514  0.0030 -4.8212 3  166.1396212  595161404261017 4    26 918 4      C-13-H3C(O)CH3
  145692.5126  0.0024 -4.8212 3  166.1396212  59516140426 917 3    26 818 3      C-13-H3C(O)CH3
  145692.5252  0.0024 -4.8212 3  166.1396212  595161404261017 3    26 918 3      C-13-H3C(O)CH3
  145698.2088  0.0076 -4.7538 3  382.6894584  5951614043627 9 1    362610 1      C-13-H3C(O)CH3
  145715.6969  0.0210 -4.9899 3  554.5136712  595161404443014 2    442915 2      C-13-H3C(O)CH3
  145722.1915  0.0086 -5.0532 3  382.6664292  595161404362710 3    362611 3      C-13-H3C(O)CH3
  145728.7550  0.6126 -6.2490 3 1329.5282B12  595161404694326 1    694227 1      C-13-H3C(O)CH3
  145734.7650  0.0074 -4.7518 3  382.7140584  5951614043627 9 0    362610 0      C-13-H3C(O)CH3
  145738.6198  0.0142 -6.9135 3   89.8872140  5951614041715 2 4    1616 0 4      C-13-H3C(O)CH3
  145750.7663  0.0111 -5.1645 3  249.0203228  5951614042825 3 4    2824 4 4      C-13-H3C(O)CH3
  145761.2142  0.0074 -4.7517 3  382.7131584  595161404362710 0    362611 0      C-13-H3C(O)CH3
  145769.5032  0.0078 -4.7519 3  382.6908584  595161404362710 2    362611 2      C-13-H3C(O)CH3
  145786.6624  0.0242 -5.2100 3  755.0516840  595161404523221 1    523122 1      C-13-H3C(O)CH3
  145792.4156  0.0106 -7.5956 3   36.2271 92  5951614041110 2 4    11 7 5 4      C-13-H3C(O)CH3
  145794.6716  0.0022 -4.5193 3  166.1346424  59516140426 917 2    26 818 2      C-13-H3C(O)CH3
  145794.6845  0.0022 -4.5193 3  166.1346424  595161404261017 2    26 918 2      C-13-H3C(O)CH3
  145799.0613  0.0129 -6.9139 3   89.8069140  5951614041715 3 3    1616 0 3      C-13-H3C(O)CH3
  145804.7645  0.0023 -4.5194 3  166.1360424  59516140426 917 1    26 818 1      C-13-H3C(O)CH3
  145804.7766  0.0023 -4.5194 3  166.1360424  595161404261017 1    26 918 1      C-13-H3C(O)CH3
  145812.2884  0.0096 -5.1640 3  248.9951228  5951614042825 4 3    2824 5 3      C-13-H3C(O)CH3
  145820.4362  0.0257 -5.2098 3  755.0500840  595161404523221 2    523122 2      C-13-H3C(O)CH3
  145858.0328  0.0113 -6.2944 3   55.0066232  5951614041410 4 1    1311 3 1      C-13-H3C(O)CH3
  145879.2835  0.0414 -5.8241 3  603.9503744  595161404463116 2    463016 2      C-13-H3C(O)CH3
  145881.7196  0.0025 -6.4592 3    5.5755 52  595161404 6 2 4 3     5 1 5 3      C-13-H3C(O)CH3
  145886.9183  0.0031 -6.4592 3    5.5755 52  595161404 6 2 4 4     5 1 5 4      C-13-H3C(O)CH3
  145893.2373  0.0200 -7.5430 3   64.0403124  5951614041511 5 4    1412 2 4      C-13-H3C(O)CH3
  145894.7585  0.0256 -7.0628 3  382.6828584  5951614043627 9 1    362611 1      C-13-H3C(O)CH3
  145906.7225  0.0022 -4.5184 3  166.1310424  59516140426 917 0    26 818 0      C-13-H3C(O)CH3
  145906.7350  0.0022 -4.5184 3  166.1310424  595161404261017 0    26 918 0      C-13-H3C(O)CH3
  145926.7029  0.0191 -5.2652 3  554.5180356  595161404443014 4    442915 4      C-13-H3C(O)CH3
  145949.2541  0.0170 -5.5104 3  755.0476420  595161404523221 4    523122 4      C-13-H3C(O)CH3
  145977.9941  0.0099 -5.1634 3  249.0015228  5951614042825 3 3    2824 4 3      C-13-H3C(O)CH3
  145978.2611  0.0490 -6.5326 3  442.5401316  595161404392811 3    392713 3      C-13-H3C(O)CH3
  145986.7924  0.0125 -6.9121 3   89.8046140  5951614041715 2 3    1616 1 3      C-13-H3C(O)CH3
  145987.0064  0.0220 -5.5099 3  755.0480420  595161404523221 3    523122 3      C-13-H3C(O)CH3
  145991.5152  0.0095 -4.8626 3  249.0474456  5951614042825 3 1    2824 4 1      C-13-H3C(O)CH3
  145992.5388  1.6529 -7.4190 3 1955.8670D52  595161404845133 2    845034 2      C-13-H3C(O)CH3
  146013.4630  0.0298 -5.8033 3  603.9429744  595161404463116 1    463016 1      C-13-H3C(O)CH3
  146024.4936  0.0089 -4.8625 3  249.0651456  5951614042825 3 2    2824 4 2      C-13-H3C(O)CH3
  146031.4050  0.0033 -6.1565 3    5.5005104  595161404 6 2 4 2     5 1 5 2      C-13-H3C(O)CH3
  146038.5662  0.0105 -5.1628 3  248.9764228  5951614042825 4 4    2824 5 4      C-13-H3C(O)CH3
  146040.9890  0.0033 -6.1567 3    5.5010104  595161404 6 2 4 1     5 1 5 1      C-13-H3C(O)CH3
  146045.5500  0.0128 -6.9125 3   89.7246140  5951614041715 3 4    1616 1 4      C-13-H3C(O)CH3
  146046.5346  1.3726 -7.5488 3 1865.7922660  595161404825032 4    824933 4      C-13-H3C(O)CH3
  146051.3251  0.0165 -7.0941 3  650.6593776  595161404483117 1    483019 1      C-13-H3C(O)CH3
  146051.5727  1.3607 -7.5488 3 1865.7924660  595161404825032 3    824933 3      C-13-H3C(O)CH3
  146061.2637  0.0277 -6.2635 3  442.5469632  595161404392811 1    392713 1      C-13-H3C(O)CH3
  146085.2154  0.0095 -4.8620 3  249.0398456  5951614042825 4 2    2824 5 2      C-13-H3C(O)CH3
  146114.7072  1.5740 -7.4184 3 1955.8614D52  595161404845133 0    845034 0      C-13-H3C(O)CH3
  146123.1036  0.0064 -7.0202 3   40.1301100  59516140412 9 4 4    12 6 7 4      C-13-H3C(O)CH3
  146146.8956  1.4596 -7.2473 3 1865.7877D20  595161404825032 1    824933 1      C-13-H3C(O)CH3
  146151.9393  0.7063 -6.5480 3 1329.5295556  595161404694326 3    694227 3      C-13-H3C(O)CH3
  146152.9998  0.1037 -5.4512 3  883.4418904  595161404563620 0    563521 0      C-13-H3C(O)CH3
  146160.3402  0.7433 -6.5481 3 1329.5297556  595161404694326 4    694227 4      C-13-H3C(O)CH3
  146187.8648  0.0034 -6.1551 3    5.4262104  595161404 6 2 4 0     5 1 5 0      C-13-H3C(O)CH3
  146203.0490  0.0620 -6.4230 3  507.1391340  595161404422913 4    422815 4      C-13-H3C(O)CH3
  146210.9629  0.0313 -6.8209 3  650.6590776  595161404483117 2    483019 2      C-13-H3C(O)CH3
  146218.1096  0.0093 -4.8614 3  249.0286456  5951614042825 4 1    2824 5 1      C-13-H3C(O)CH3
  146266.8078  0.0095 -4.8616 3  249.0921456  5951614042825 3 0    2824 4 0      C-13-H3C(O)CH3
  146266.8106  0.0095 -4.8616 3  249.0921456  5951614042825 4 0    2824 5 0      C-13-H3C(O)CH3
  146310.3041  0.0645 -6.2477 3  655.5460388  595161404483217 4    483117 4      C-13-H3C(O)CH3
  146317.6483  0.2028 -5.9391 3  997.9329484  595161404603525 3    603426 3      C-13-H3C(O)CH3
  146321.0782  0.2015 -5.9391 3  997.9330484  595161404603525 4    603426 4      C-13-H3C(O)CH3
  146357.3792  0.0032 -4.8325 3  150.4892204  59516140425 817 4    25 718 4      C-13-H3C(O)CH3
  146357.3819  0.0032 -4.8325 3  150.4892204  59516140425 917 4    25 818 4      C-13-H3C(O)CH3
  146357.4412  0.0025 -4.8325 3  150.4892204  59516140425 817 3    25 718 3      C-13-H3C(O)CH3
  146357.4440  0.0025 -4.8325 3  150.4892204  59516140425 917 3    25 818 3      C-13-H3C(O)CH3
  146368.1603  0.0056 -4.7177 3  436.2426648  595161404402119 2    402020 2      C-13-H3C(O)CH3
  146368.9358  0.0048 -6.5040 3  174.8806424  595161404261115 1    251412 1      C-13-H3C(O)CH3
  146377.7859  0.0046 -6.8062 3  174.8745212  595161404261115 3    251412 3      C-13-H3C(O)CH3
  146379.0861  0.0053 -6.8062 3  174.8745212  595161404261115 4    251412 4      C-13-H3C(O)CH3
  146379.5510  0.0041 -4.7178 3  436.2703648  595161404402119 0    402020 0      C-13-H3C(O)CH3
  146394.1575  0.0060 -5.0185 3  436.2188324  595161404402119 3    402020 3      C-13-H3C(O)CH3
  146394.8016  0.0059 -5.0185 3  436.2188324  595161404402119 4    402020 4      C-13-H3C(O)CH3
  146405.5593  0.0045 -4.7176 3  436.2466648  595161404402119 1    402020 1      C-13-H3C(O)CH3
  146415.9837  0.0043 -6.4997 3  174.8820424  595161404261115 0    251412 0      C-13-H3C(O)CH3
  146425.6056  0.0048 -6.5008 3  174.8760424  595161404261115 2    251412 2      C-13-H3C(O)CH3
  146436.4627  0.0129 -6.6247 3   66.1609248  5951614041512 4 1    15 9 6 1      C-13-H3C(O)CH3
  146444.4616  0.0016 -4.5310 3   33.0334108  59516140413 211 3    12 310 3      C-13-H3C(O)CH3
  146444.4849  0.0016 -4.5310 3   33.0334108  59516140413 311 3    12 210 3      C-13-H3C(O)CH3
  146444.5301  0.0016 -4.5310 3   33.0334108  59516140413 211 4    12 310 4      C-13-H3C(O)CH3
  146444.5530  0.0016 -4.5310 3   33.0334108  59516140413 311 4    12 210 4      C-13-H3C(O)CH3
  146479.5665  0.0024 -4.5304 3  150.4778408  59516140425 817 2    25 718 2      C-13-H3C(O)CH3
  146479.5694  0.0024 -4.5304 3  150.4778408  59516140425 917 2    25 818 2      C-13-H3C(O)CH3
  146481.3851  0.0018 -4.2297 3   32.9721216  59516140413 211 1    12 310 1      C-13-H3C(O)CH3
  146481.4087  0.0018 -4.2297 3   32.9721216  59516140413 311 1    12 210 1      C-13-H3C(O)CH3
  146481.6766  0.0017 -4.2298 3   32.9715216  59516140413 211 2    12 310 2      C-13-H3C(O)CH3
  146481.7010  0.0017 -4.2298 3   32.9715216  59516140413 311 2    12 210 2      C-13-H3C(O)CH3
  146482.4156  0.0733 -6.4884 3  765.1811420  595161404523419 4    523319 4      C-13-H3C(O)CH3
  146488.2203  0.0024 -4.5305 3  150.4789408  59516140425 817 1    25 718 1      C-13-H3C(O)CH3
  146488.2229  0.0024 -4.5305 3  150.4789408  59516140425 917 1    25 818 1      C-13-H3C(O)CH3
  146491.2650  0.0170 -5.1054 3  694.6483808  595161404503021 0    502922 0      C-13-H3C(O)CH3
  146509.8766  0.0066 -4.8907 3  558.4328728  595161404452620 0    452521 0      C-13-H3C(O)CH3
  146518.4915  0.0017 -4.2295 3   32.9103216  59516140413 211 0    12 310 0      C-13-H3C(O)CH3
  146518.5163  0.0017 -4.2295 3   32.9103216  59516140413 311 0    12 210 0      C-13-H3C(O)CH3
  146518.5555  0.0448 -6.7952 3  442.5506632  595161404392811 2    392713 2      C-13-H3C(O)CH3
  146521.8690  1.4288 -7.4165 3 1955.8347D52  595161404845133 1    845034 1      C-13-H3C(O)CH3
  146525.6885  0.0080 -4.8904 3  558.4122728  595161404452620 2    452521 2      C-13-H3C(O)CH3
  146537.2918  1.7673 -7.0801 3 1777.8479C88  595161404804931 2    804832 2      C-13-H3C(O)CH3
  146541.0938  0.0072 -4.8904 3  558.4159728  595161404452620 1    452521 1      C-13-H3C(O)CH3
  146556.1509  0.0082 -5.1912 3  558.3952364  595161404452620 4    452521 4      C-13-H3C(O)CH3
  146558.4456  0.0081 -5.1912 3  558.3953364  595161404452620 3    452521 3      C-13-H3C(O)CH3
  146561.0577  0.0165 -5.1050 3  694.6409808  595161404503021 1    502922 1      C-13-H3C(O)CH3
  146572.0679  0.0134 -5.1049 3  694.6383808  595161404503021 2    502922 2      C-13-H3C(O)CH3
  146577.3223  1.5320 -7.0799 3 1777.8444C88  595161404804931 0    804832 0      C-13-H3C(O)CH3
  146577.8229  0.0090 -6.0729 3   76.2212264  5951614041613 4 0    1514 1 0      C-13-H3C(O)CH3
  146584.0574  0.0029 -6.4580 3    5.5754 52  595161404 6 3 4 4     5 0 5 4      C-13-H3C(O)CH3
  146588.9963  0.0024 -6.4580 3    5.5754 52  595161404 6 3 4 3     5 0 5 3      C-13-H3C(O)CH3
  146610.0993  0.0022 -4.5294 3  150.4676408  59516140425 817 0    25 718 0      C-13-H3C(O)CH3
  146610.1020  0.0022 -4.5294 3  150.4676408  59516140425 917 0    25 818 0      C-13-H3C(O)CH3
  146616.9310  0.0090 -6.0727 3   76.2212264  5951614041613 3 0    1514 2 0      C-13-H3C(O)CH3
  146629.6481  0.0356 -6.3914 3  603.9427372  595161404463116 3    463016 3      C-13-H3C(O)CH3
  146636.7398  0.0102 -5.4055 3  694.6308404  595161404503021 4    502922 4      C-13-H3C(O)CH3
  146649.0233  0.0104 -5.4055 3  694.6310404  595161404503021 3    502922 3      C-13-H3C(O)CH3
  146650.8427  0.0528 -6.7179 3  650.6543388  595161404483117 4    483019 4      C-13-H3C(O)CH3
  146659.8869  0.0028 -5.6734 3   10.4651 60  595161404 7 4 3 3     6 3 4 3      C-13-H3C(O)CH3
  146677.1940  0.0472 -6.5595 3  765.1693840  595161404523419 1    523319 1      C-13-H3C(O)CH3
  146686.5452  0.1436 -5.6365 3  997.9322968  595161404603525 1    603426 1      C-13-H3C(O)CH3
  146690.9171  0.0087 -6.0715 3   76.2648264  5951614041613 3 2    1514 1 2      C-13-H3C(O)CH3
  146692.4232  0.0022 -5.6259 3   15.7484 68  595161404 8 6 3 4     7 5 3 4      C-13-H3C(O)CH3
  146701.8241  0.0544 -6.4111 3  765.1705840  595161404523419 2    523319 2      C-13-H3C(O)CH3
  146704.4280  0.0039 -5.6745 3   10.4649 60  595161404 7 4 3 4     6 3 4 4      C-13-H3C(O)CH3
  146710.8794  0.2133 -5.6364 3  997.9346968  595161404603525 2    603426 2      C-13-H3C(O)CH3
  146714.0865  0.0182 -7.3547 3  174.3040408  595161404251510 2    2418 6 2      C-13-H3C(O)CH3
  146714.8819  0.0078 -5.0520 3  311.7185260  5951614043226 7 3    3225 7 3      C-13-H3C(O)CH3
  146723.9300  0.0033 -5.3699 3   10.3955120  595161404 7 4 3 2     6 3 4 2      C-13-H3C(O)CH3
  146729.7459  0.0266 -6.2530 3  626.9638760  595161404473116 1    473018 1      C-13-H3C(O)CH3
  146734.6000  0.0088 -5.0522 3  311.7229260  5951614043226 6 4    3225 7 4      C-13-H3C(O)CH3
  146737.9557  0.1075 -5.4532 3  883.4471904  595161404563620 1    563521 1      C-13-H3C(O)CH3
  146742.3707  0.6207 -6.8872 3 1517.3103596  595161404744430 4    744331 4      C-13-H3C(O)CH3
  146743.9805  0.6227 -6.8872 3 1517.3103596  595161404744430 3    744331 3      C-13-H3C(O)CH3
  146751.6900  0.0033 -6.1553 3    5.5004104  595161404 6 3 4 2     5 0 5 2      C-13-H3C(O)CH3
  146753.3222  0.0032 -6.1555 3    5.5009104  595161404 6 3 4 1     5 0 5 1      C-13-H3C(O)CH3
  146755.6888  0.0153 -4.9956 3  603.9420744  595161404463115 0    463016 0      C-13-H3C(O)CH3
  146759.2381  0.0097 -6.0965 3   53.1399116  59516140414 9 6 4    1310 3 4      C-13-H3C(O)CH3
  146768.5536  0.0033 -5.3707 3   10.3961120  595161404 7 4 3 1     6 3 4 1      C-13-H3C(O)CH3
  146783.4696  0.0689 -6.3211 3  709.2856404  595161404503318 4    503218 4      C-13-H3C(O)CH3
  146797.9019  0.0050 -4.9657 3   30.8859184  59516140411 6 5 0    10 7 4 0      C-13-H3C(O)CH3
  146810.3770  0.0147 -7.5306 3  619.0854808  595161404501832 1    492129 1      C-13-H3C(O)CH3
  146810.3771  0.0147 -7.5307 3  619.0854808  595161404501932 1    492029 1      C-13-H3C(O)CH3
  146810.8434  0.0033 -5.3678 3   10.3267120  595161404 7 4 3 0     6 3 4 0      C-13-H3C(O)CH3
  146812.5397  0.0295 -7.2064 3  626.9657380  595161404473116 3    473018 3      C-13-H3C(O)CH3
  146817.1013  0.0529 -7.2705 3  486.7001332  595161404412913 4    412813 4      C-13-H3C(O)CH3
  146817.2379  0.0160 -7.5287 3  619.0844808  595161404501832 2    492129 2      C-13-H3C(O)CH3
  146817.2380  0.0160 -7.5286 3  619.0844808  595161404501932 2    492029 2      C-13-H3C(O)CH3
  146829.7010  0.0138 -5.0011 3  554.4273712  595161404443015 1    442916 1      C-13-H3C(O)CH3
  146834.9634  0.0182 -5.2602 3  554.4124356  595161404443015 4    442916 4      C-13-H3C(O)CH3
  146842.6632  0.1782 -5.4546 3  883.4467904  595161404563620 2    563521 2      C-13-H3C(O)CH3
  146843.9162  0.5052 -6.5858 3 1517.3069B92  595161404744430 1    744331 1      C-13-H3C(O)CH3
  146855.7817  0.0074 -4.7507 3  311.7469520  5951614043226 6 1    3225 7 1      C-13-H3C(O)CH3
  146863.6668  0.0092 -7.2498 3   41.8833100  5951614041210 3 4    12 7 6 4      C-13-H3C(O)CH3
  146868.5940  0.0092 -6.0702 3   76.2558264  5951614041613 3 1    1514 1 1      C-13-H3C(O)CH3
  146870.4948  0.0089 -5.0512 3  311.7119260  5951614043226 7 4    3225 8 4      C-13-H3C(O)CH3
  146871.6952  0.0040 -4.7150 3  436.2725648  595161404402219 0    402120 0      C-13-H3C(O)CH3
  146871.7629  0.0416 -5.9182 3  655.5361776  595161404483217 2    483117 2      C-13-H3C(O)CH3
  146877.8271  0.0050 -4.7148 3  436.2449648  595161404402219 2    402120 2      C-13-H3C(O)CH3
  146881.0449  0.0116 -7.5290 3  619.1020808  595161404501832 0    492129 0      C-13-H3C(O)CH3
  146881.0450  0.0116 -7.5292 3  619.1020808  595161404501932 0    492029 0      C-13-H3C(O)CH3
  146886.3556  0.0158 -4.9833 3  554.4292712  595161404443015 2    442916 2      C-13-H3C(O)CH3
  146891.1510  0.0080 -5.0513 3  311.7163260  5951614043226 6 3    3225 8 3      C-13-H3C(O)CH3
  146902.9868  0.0044 -4.7148 3  436.2488648  595161404402219 1    402120 1      C-13-H3C(O)CH3
  146909.2240  0.0052 -5.0156 3  436.2211324  595161404402219 4    402120 4      C-13-H3C(O)CH3
  146909.4128  0.0052 -5.0156 3  436.2211324  595161404402219 3    402120 3      C-13-H3C(O)CH3
  146914.1710  0.0138 -7.1215 3   66.1978124  5951614041512 4 3    15 9 6 3      C-13-H3C(O)CH3
  146918.2306  0.0035 -6.1539 3    5.4261104  595161404 6 3 4 0     5 0 5 0      C-13-H3C(O)CH3
  146918.7405  0.0058 -4.9677 3   30.9352184  59516140411 6 5 2    10 7 4 2      C-13-H3C(O)CH3
  146923.8054  0.0074 -4.7502 3  311.7566520  5951614043226 7 2    3225 8 2      C-13-H3C(O)CH3
  146924.9331  0.0134 -6.6277 3   66.1543248  5951614041512 4 2    15 9 6 2      C-13-H3C(O)CH3
  146932.4523  0.0518 -5.4523 3  719.3061412  595161404512922 3    512823 3      C-13-H3C(O)CH3
  146936.1764  0.0522 -5.4523 3  719.3062412  595161404512922 4    512823 4      C-13-H3C(O)CH3
  146938.9309  0.0103 -7.4986 3  462.4767348  595161404431627 4    421924 4      C-13-H3C(O)CH3
  146938.9424  0.0103 -7.4986 3  462.4767348  595161404431627 3    421924 3      C-13-H3C(O)CH3
  146938.9593  0.0103 -7.4986 3  462.4767348  595161404431727 4    421824 4      C-13-H3C(O)CH3
  146938.9710  0.0103 -7.4986 3  462.4767348  595161404431727 3    421824 3      C-13-H3C(O)CH3
  146940.7079  0.0034 -4.8518 3  135.4270196  59516140424 717 4    24 618 4      C-13-H3C(O)CH3
  146940.7085  0.0034 -4.8518 3  135.4270196  59516140424 817 4    24 718 4      C-13-H3C(O)CH3
  146940.7476  0.0027 -4.8518 3  135.4269196  59516140424 717 3    24 618 3      C-13-H3C(O)CH3
  146940.7481  0.0027 -4.8518 3  135.4269196  59516140424 817 3    24 718 3      C-13-H3C(O)CH3
  146945.1159  0.0071 -4.7504 3  311.7610520  5951614043226 6 2    3225 7 2      C-13-H3C(O)CH3
  146951.8377  0.0330 -5.9685 3  655.5311776  595161404483217 1    483117 1      C-13-H3C(O)CH3
  146963.5218  0.0119 -6.3699 3   76.2995132  5951614041613 3 4    1514 1 4      C-13-H3C(O)CH3
  146968.6412  0.0103 -7.1978 3  462.5041696  595161404431627 1    421924 1      C-13-H3C(O)CH3
  146968.6669  0.0103 -7.1978 3  462.5041696  595161404431727 1    421824 1      C-13-H3C(O)CH3
  146987.3942  0.0115 -4.9210 3  554.4366712  595161404443015 0    442916 0      C-13-H3C(O)CH3
  146987.6645  0.0106 -7.1956 3  462.5020696  595161404431627 2    421924 2      C-13-H3C(O)CH3
  146987.6913  0.0106 -7.1956 3  462.5020696  595161404431727 2    421824 2      C-13-H3C(O)CH3
  146999.1967  0.6438 -6.5854 3 1517.3250B92  595161404744430 2    744331 2      C-13-H3C(O)CH3
  146999.4881  0.0529 -7.4413 3  442.5238316  595161404392811 4    392713 4      C-13-H3C(O)CH3
  147002.5998  0.0050 -5.2599 3   30.9891 92  59516140411 6 5 3    10 7 4 3      C-13-H3C(O)CH3
  147010.7819  0.0075 -4.7498 3  311.7402520  5951614043226 7 1    3225 8 1      C-13-H3C(O)CH3
  147017.2611  0.0089 -7.1960 3  462.5293696  595161404431627 0    421924 0      C-13-H3C(O)CH3
  147017.2852  0.0089 -7.1960 3  462.5293696  595161404431727 0    421824 0      C-13-H3C(O)CH3
  147019.4047  0.0089 -6.0695 3   76.1849264  5951614041613 4 2    1514 2 2      C-13-H3C(O)CH3
  147030.1624  0.0498 -6.0691 3  626.9650760  595161404473116 2    473018 2      C-13-H3C(O)CH3
  147035.2342  0.0024 -5.7700 3   15.6901136  595161404 8 6 3 1     7 5 3 1      C-13-H3C(O)CH3
  147040.0784  0.0031 -4.5660 3  307.3706552  595161404341618 2    341519 2      C-13-H3C(O)CH3
  147044.6426  0.0032 -4.8671 3  307.3476276  595161404341618 3    341519 3      C-13-H3C(O)CH3
  147044.7074  0.0033 -4.8671 3  307.3476276  595161404341618 4    341519 4      C-13-H3C(O)CH3
  147054.9183  0.0092 -6.0697 3   76.1729264  5951614041613 4 1    1514 2 1      C-13-H3C(O)CH3
  147056.0875  0.0031 -4.5660 3  307.3706552  595161404341718 2    341619 2      C-13-H3C(O)CH3
  147056.5070  0.0027 -4.5660 3  307.3966552  595161404341618 0    341519 0      C-13-H3C(O)CH3
  147056.9809  0.0053 -4.9660 3   30.9344184  59516140411 6 5 1    10 7 4 1      C-13-H3C(O)CH3
  147060.6084  0.0032 -4.8670 3  307.3477276  595161404341718 3    341619 3      C-13-H3C(O)CH3
  147060.6272  0.0033 -4.8670 3  307.3477276  595161404341718 4    341619 4      C-13-H3C(O)CH3
  147061.0216  0.0030 -4.5660 3  307.3737552  595161404341618 1    341519 1      C-13-H3C(O)CH3
  147066.4843  0.0074 -4.7499 3  311.7847520  5951614043226 6 0    3225 7 0      C-13-H3C(O)CH3
  147066.9348  0.0074 -4.7499 3  311.7847520  5951614043226 7 0    3225 8 0      C-13-H3C(O)CH3
  147067.7454  0.0148 -7.0279 3  174.2972408  595161404251510 0    2418 7 0      C-13-H3C(O)CH3
  147068.7176  0.0027 -5.8522 3   15.6905136  595161404 8 6 3 2     7 5 3 2      C-13-H3C(O)CH3
  147071.9697  0.0027 -4.5659 3  307.3966552  595161404341718 0    341619 0      C-13-H3C(O)CH3
  147076.4360  0.0030 -4.5659 3  307.3737552  595161404341718 1    341619 1      C-13-H3C(O)CH3
  147077.9788  0.1512 -5.6348 3  997.9338968  595161404603525 0    603426 0      C-13-H3C(O)CH3
  147083.5949  0.0026 -4.5495 3  135.4085392  59516140424 717 2    24 618 2      C-13-H3C(O)CH3
  147083.5955  0.0026 -4.5495 3  135.4085392  59516140424 817 2    24 718 2      C-13-H3C(O)CH3
  147090.8831  0.0026 -4.5497 3  135.4094392  59516140424 717 1    24 618 1      C-13-H3C(O)CH3
  147090.8837  0.0026 -4.5497 3  135.4094392  59516140424 817 1    24 718 1      C-13-H3C(O)CH3
  147098.2150  0.0532 -5.1506 3  719.3145824  595161404512922 2    512823 2      C-13-H3C(O)CH3
  147102.0388  0.5162 -6.5850 3 1517.3217B92  595161404744430 0    744331 0      C-13-H3C(O)CH3
  147110.8264  0.0125 -5.2507 3  235.8030220  5951614042725 2 4    2724 3 4      C-13-H3C(O)CH3
  147120.6934  1.4293 -7.3785 3 1777.8251644  595161404804931 4    804832 4      C-13-H3C(O)CH3
  147124.8445  1.4134 -7.3785 3 1777.8253644  595161404804931 3    804832 3      C-13-H3C(O)CH3
  147133.9735  0.0234 -5.0678 3  603.9429744  595161404463115 1    463016 1      C-13-H3C(O)CH3
  147147.7101  0.0103 -6.3727 3   76.2164132  5951614041613 4 3    1514 2 3      C-13-H3C(O)CH3
  147164.2489  0.0290 -5.1503 3  719.3171824  595161404512922 1    512823 1      C-13-H3C(O)CH3
  147164.4350  1.4147 -7.0773 3 1777.8217C88  595161404804931 1    804832 1      C-13-H3C(O)CH3
  147179.7344  0.0069 -7.2481 3  124.5195172  5951614042114 8 4    211110 4      C-13-H3C(O)CH3
  147180.2746  0.0060 -6.6591 3   40.0799200  59516140412 9 4 1    12 6 7 1      C-13-H3C(O)CH3
  147182.9686  0.0129 -6.7459 3   66.1978124  5951614041512 3 3    15 9 6 3      C-13-H3C(O)CH3
  147185.7765  0.0228 -5.2806 3  554.4300356  595161404443015 3    442916 3      C-13-H3C(O)CH3
  147199.0419  0.0437 -6.1113 3  709.2749808  595161404503318 2    503218 2      C-13-H3C(O)CH3
  147205.8876  0.0108 -5.2500 3  235.7734220  5951614042725 3 3    2724 4 3      C-13-H3C(O)CH3
  147223.4791  0.0377 -6.2212 3  709.2719808  595161404503318 1    503218 1      C-13-H3C(O)CH3
  147228.5317  0.0273 -5.2184 3  759.9119840  595161404523320 0    523221 0      C-13-H3C(O)CH3
  147232.7528  0.0186 -7.3404 3  174.3005408  595161404251510 1    2418 6 1      C-13-H3C(O)CH3
  147233.4358  0.0024 -4.5484 3  135.3910392  59516140424 717 0    24 618 0      C-13-H3C(O)CH3
  147233.4363  0.0024 -4.5484 3  135.3910392  59516140424 817 0    24 718 0      C-13-H3C(O)CH3
  147245.5491  0.0350 -5.3306 3  603.9427372  595161404463115 3    463016 3      C-13-H3C(O)CH3
  147252.1279  0.0026 -5.0048 3   20.0133 76  595161404 9 6 4 4     8 5 3 4      C-13-H3C(O)CH3
  147279.9494  0.1533 -5.7469 3  883.4507452  595161404563620 3    563521 3      C-13-H3C(O)CH3
  147293.5952  0.0098 -6.3711 3   76.2195132  5951614041613 3 3    1514 1 3      C-13-H3C(O)CH3
  147303.9688  0.0104 -7.3219 3   36.1788184  5951614041110 2 1    11 7 5 1      C-13-H3C(O)CH3
  147318.1341  0.0167 -5.0960 3  679.5201792  595161404493218 0    493119 0      C-13-H3C(O)CH3
  147326.5288  0.0319 -5.1496 3  719.3253824  595161404512922 0    512823 0      C-13-H3C(O)CH3
  147333.5596  0.0038 -6.8795 3   40.1302100  59516140412 9 4 3    12 6 7 3      C-13-H3C(O)CH3
  147341.9504  0.0254 -5.4426 3  679.5204396  595161404493218 4    493119 4      C-13-H3C(O)CH3
  147342.6566  0.0059 -5.2760 3   30.9791 92  59516140411 6 5 4    10 7 4 4      C-13-H3C(O)CH3
  147358.2324  0.0068 -6.6488 3   40.0786200  59516140412 9 4 2    12 6 7 2      C-13-H3C(O)CH3
  147363.7926  0.0111 -5.2495 3  235.7833220  5951614042725 2 3    2724 3 3      C-13-H3C(O)CH3
  147382.8859  0.0325 -5.2567 3  786.0945856  595161404533321 0    533222 0      C-13-H3C(O)CH3
  147383.6774  0.0314 -5.0629 3  603.9503744  595161404463115 2    463016 2      C-13-H3C(O)CH3
  147385.3095  0.0165 -7.3039 3  236.0746472  595161404291811 0    2821 8 0      C-13-H3C(O)CH3
  147387.2157  0.0109 -4.9486 3  235.8332440  5951614042725 2 1    2724 3 1      C-13-H3C(O)CH3
  147396.0227  0.0102 -4.9487 3  235.8516440  5951614042725 2 2    2724 3 2      C-13-H3C(O)CH3
  147403.0315  0.0164 -5.1098 3  679.5211792  595161404493218 1    493119 1      C-13-H3C(O)CH3
  147407.0493  0.0121 -5.1499 3  531.7905356  595161404442420 3    442321 3      C-13-H3C(O)CH3
  147408.5773  0.0122 -5.1499 3  531.7904356  595161404442420 4    442321 4      C-13-H3C(O)CH3
  147410.8745  0.0116 -4.8490 3  531.8095712  595161404442420 2    442321 2      C-13-H3C(O)CH3
  147426.2081  0.0231 -5.2186 3  759.9146840  595161404523320 1    523221 1      C-13-H3C(O)CH3
  147430.3910  0.0026 -4.9931 3   20.0114 76  595161404 9 6 4 3     8 5 3 3      C-13-H3C(O)CH3
  147439.4590  0.0207 -5.1187 3  679.5220792  595161404493218 2    493119 2      C-13-H3C(O)CH3
  147450.8577  0.0038 -4.8811 3  120.9547188  59516140423 617 4    23 518 4      C-13-H3C(O)CH3
  147450.8578  0.0038 -4.8811 3  120.9547188  59516140423 717 4    23 618 4      C-13-H3C(O)CH3
  147450.8636  0.0030 -4.8811 3  120.9546188  59516140423 617 3    23 518 3      C-13-H3C(O)CH3
  147450.8637  0.0030 -4.8811 3  120.9546188  59516140423 717 3    23 618 3      C-13-H3C(O)CH3
  147458.0213  0.0116 -5.2488 3  235.7537220  5951614042725 3 4    2724 4 4      C-13-H3C(O)CH3
  147463.7007  0.0066 -4.8488 3  531.8134712  595161404442420 1    442321 1      C-13-H3C(O)CH3
  147466.8094  0.0066 -4.8489 3  531.8324712  595161404442420 0    442321 0      C-13-H3C(O)CH3
  147473.6633  0.0103 -6.3674 3   76.1366132  5951614041613 4 4    1514 2 4      C-13-H3C(O)CH3
  147483.4495  0.0327 -5.2189 3  759.9140840  595161404523320 2    523221 2      C-13-H3C(O)CH3
  147490.6987  0.0109 -4.9480 3  235.8220440  5951614042725 3 2    2724 4 2      C-13-H3C(O)CH3
  147495.0344  0.1361 -5.7605 3  900.1164460  595161404573324 3    573225 3      C-13-H3C(O)CH3
  147498.8649  0.1355 -5.7605 3  900.1165460  595161404573324 4    573225 4      C-13-H3C(O)CH3
  147502.9238  0.0450 -6.5849 3  486.7019664  595161404412913 2    412813 2      C-13-H3C(O)CH3
  147513.5518  0.0150 -7.5367 3  349.5946584  595161404361918 1    352213 1      C-13-H3C(O)CH3
  147514.9236  0.0019 -4.4419 3   34.6605116  59516140414 113 3    13 212 3      C-13-H3C(O)CH3
  147514.9236  0.0019 -4.4419 3   34.6605116  59516140414 213 3    13 112 3      C-13-H3C(O)CH3
  147514.9653  0.0019 -4.4419 3   34.6605116  59516140414 213 4    13 112 4      C-13-H3C(O)CH3
  147514.9653  0.0019 -4.4419 3   34.6605116  59516140414 113 4    13 212 4      C-13-H3C(O)CH3
  147525.5637  0.0134 -6.5382 3  114.2739164  5951614042014 7 4    2011 9 4      C-13-H3C(O)CH3
  147537.3090  0.0021 -4.1407 3   34.5947232  59516140414 113 1    13 212 1      C-13-H3C(O)CH3
  147537.3091  0.0021 -4.1407 3   34.5947232  59516140414 213 1    13 112 1      C-13-H3C(O)CH3
  147537.4539  0.0020 -4.1407 3   34.5942232  59516140414 113 2    13 212 2      C-13-H3C(O)CH3
  147537.4540  0.0020 -4.1407 3   34.5942232  59516140414 213 2    13 112 2      C-13-H3C(O)CH3
  147541.9803  0.0058 -7.3986 3  124.5091344  5951614042114 8 1    211110 1      C-13-H3C(O)CH3
  147544.6897  0.2038 -5.7648 3  883.4541452  595161404563620 4    563521 4      C-13-H3C(O)CH3
  147551.7307  0.0031 -4.6940 3   19.9493152  595161404 9 6 4 1     8 5 3 1      C-13-H3C(O)CH3
  147559.7727  0.0019 -4.1405 3   34.5284232  59516140414 113 0    13 212 0      C-13-H3C(O)CH3
  147559.7728  0.0019 -4.1405 3   34.5284232  59516140414 213 0    13 112 0      C-13-H3C(O)CH3
  147570.0125  0.0282 -5.2560 3  786.0957856  595161404533321 1    533222 1      C-13-H3C(O)CH3
  147585.8443  0.0114 -7.3277 3   36.1783184  5951614041110 2 2    11 7 5 2      C-13-H3C(O)CH3
  147589.7986  0.0140 -6.7787 3   63.9843248  5951614041511 5 1    1412 2 1      C-13-H3C(O)CH3
  147601.6480  0.0235 -5.5229 3  759.9159420  595161404523320 4    523221 4      C-13-H3C(O)CH3
  147605.2468  0.0677 -5.3420 3  823.2200872  595161404543519 0    543420 0      C-13-H3C(O)CH3
  147610.5532  0.0347 -5.2559 3  786.0946856  595161404533321 2    533222 2      C-13-H3C(O)CH3
  147615.0595  0.0030 -4.5787 3  120.9285376  59516140423 617 2    23 518 2      C-13-H3C(O)CH3
  147615.0596  0.0030 -4.5787 3  120.9285376  59516140423 717 2    23 618 2      C-13-H3C(O)CH3
  147617.4972  0.0368 -6.7800 3  655.5334388  595161404483217 3    483117 3      C-13-H3C(O)CH3
  147620.0127  0.0035 -4.6927 3   19.9470152  595161404 9 6 4 2     8 5 3 2      C-13-H3C(O)CH3
  147621.0441  0.0030 -4.5788 3  120.9293376  59516140423 617 1    23 518 1      C-13-H3C(O)CH3
  147621.0442  0.0030 -4.5788 3  120.9293376  59516140423 717 1    23 618 1      C-13-H3C(O)CH3
  147639.9546  0.0071 -5.7029 3   53.0762232  59516140414 9 6 1    1310 3 1      C-13-H3C(O)CH3
  147640.0251  0.0107 -4.9474 3  235.8134440  5951614042725 3 1    2724 4 1      C-13-H3C(O)CH3
  147649.2340  0.0067 -5.6862 3   53.0751232  59516140414 9 6 2    1310 3 2      C-13-H3C(O)CH3
  147659.9518  0.0132 -6.6932 3   63.9881248  5951614041511 5 2    1412 2 2      C-13-H3C(O)CH3
  147674.4216  0.0109 -4.9476 3  235.8817440  5951614042725 2 0    2724 3 0      C-13-H3C(O)CH3
  147674.4219  0.0109 -4.9476 3  235.8817440  5951614042725 3 0    2724 4 0      C-13-H3C(O)CH3
  147684.0747  0.0151 -6.8775 3   54.9977116  5951614041410 4 4    1311 3 4      C-13-H3C(O)CH3
  147685.1758  0.0436 -6.1112 3  554.4300356  595161404443014 3    442916 3      C-13-H3C(O)CH3
  147686.5302  0.0153 -7.5318 3  349.5843584  595161404361918 2    352213 2      C-13-H3C(O)CH3
  147713.1435  0.0860 -5.5979 3  807.2349436  595161404543123 3    543024 3      C-13-H3C(O)CH3
  147717.0470  0.0299 -5.3431 3  603.9582372  595161404463115 4    463016 4      C-13-H3C(O)CH3
  147717.0945  0.0861 -5.5979 3  807.2350436  595161404543123 4    543024 4      C-13-H3C(O)CH3
  147718.2222  0.0136 -7.5299 3  349.6116584  595161404361918 0    352213 0      C-13-H3C(O)CH3
  147736.5663  0.0079 -6.8915 3  328.2662584  595161404361422 1    351719 1      C-13-H3C(O)CH3
  147740.6622  0.0079 -6.8915 3  328.2660584  595161404361522 1    351619 1      C-13-H3C(O)CH3
  147744.2622  0.0078 -7.1926 3  328.2387292  595161404361422 4    351719 4      C-13-H3C(O)CH3
  147744.3027  0.0077 -7.1926 3  328.2388292  595161404361422 3    351719 3      C-13-H3C(O)CH3
  147748.5366  0.0078 -7.1926 3  328.2386292  595161404361522 4    351619 4      C-13-H3C(O)CH3
  147748.5922  0.0077 -7.1926 3  328.2386292  595161404361522 3    351619 3      C-13-H3C(O)CH3
  147749.9497  0.0754 -6.1942 3  626.9588380  595161404473116 4    473018 4      C-13-H3C(O)CH3
  147760.2863  0.0379 -5.5171 3  759.9176420  595161404523320 3    523221 3      C-13-H3C(O)CH3
  147765.0595  0.0068 -6.8887 3  328.2902584  595161404361422 0    351719 0      C-13-H3C(O)CH3
  147765.3198  0.0238 -5.5568 3  786.0955428  595161404533321 4    533222 4      C-13-H3C(O)CH3
  147769.1396  0.0068 -6.8887 3  328.2901584  595161404361522 0    351619 0      C-13-H3C(O)CH3
  147772.8288  0.0284 -6.1723 3  486.6849664  595161404412913 1    412813 1      C-13-H3C(O)CH3
  147772.9123  0.0079 -6.8888 3  328.2628584  595161404361422 2    351719 2      C-13-H3C(O)CH3
  147777.1833  0.0079 -6.8888 3  328.2627584  595161404361522 2    351619 2      C-13-H3C(O)CH3
  147784.8934  0.0028 -4.5774 3  120.9032376  59516140423 617 0    23 518 0      C-13-H3C(O)CH3
  147784.8935  0.0028 -4.5774 3  120.9032376  59516140423 717 0    23 618 0      C-13-H3C(O)CH3
  147785.4610  0.0325 -5.6945 3  554.4273712  595161404443014 1    442916 1      C-13-H3C(O)CH3
  147802.9000  0.0271 -5.3970 3  679.5258396  595161404493218 3    493119 3      C-13-H3C(O)CH3
  147825.8731  0.1425 -5.4580 3  900.1187920  595161404573324 2    573225 2      C-13-H3C(O)CH3
  147830.1888  0.0033 -4.6886 3   19.8842152  595161404 9 6 4 0     8 5 3 0      C-13-H3C(O)CH3
  147830.2770  0.0334 -5.5557 3  786.0962428  595161404533321 3    533222 3      C-13-H3C(O)CH3
  147843.1207  0.0910 -5.4579 3  900.1184920  595161404573324 1    573225 1      C-13-H3C(O)CH3
  147851.5189  0.0206 -7.5914 3  236.0409472  595161404291811 2    2821 8 2      C-13-H3C(O)CH3
  147860.3231  0.0201 -5.0686 3  655.5272776  595161404483216 0    483117 0      C-13-H3C(O)CH3
  147895.2844  0.0034 -4.9236 3  107.0740180  59516140422 517 3    22 418 3      C-13-H3C(O)CH3
  147895.2844  0.0034 -4.9236 3  107.0740180  59516140422 617 3    22 518 3      C-13-H3C(O)CH3
  147895.3239  0.0041 -4.9236 3  107.0740180  59516140422 517 4    22 418 4      C-13-H3C(O)CH3
  147895.3239  0.0041 -4.9236 3  107.0740180  59516140422 617 4    22 518 4      C-13-H3C(O)CH3
  147916.9242  0.0484 -7.2634 3  709.2760404  595161404503318 3    503218 3      C-13-H3C(O)CH3
  147956.3896  0.0170 -7.3014 3  174.2626408  595161404251510 2    2418 7 2      C-13-H3C(O)CH3
  147962.5209  0.0894 -5.2958 3  807.2395872  595161404543123 2    543024 2      C-13-H3C(O)CH3
  148010.5428  0.0532 -5.2956 3  807.2409872  595161404543123 1    543024 1      C-13-H3C(O)CH3
  148039.3165  1.4187 -7.5864 3 2047.9819D84  595161404865234 2    865135 2      C-13-H3C(O)CH3
  148056.3943  0.0046 -6.5700 3   40.0285200  59516140412 9 4 0    12 6 7 0      C-13-H3C(O)CH3
  148081.3201  0.0035 -4.6210 3  107.0396360  59516140422 517 2    22 418 2      C-13-H3C(O)CH3
  148081.3202  0.0035 -4.6210 3  107.0396360  59516140422 617 2    22 518 2      C-13-H3C(O)CH3
  148086.0559  0.0036 -4.6212 3  107.0403360  59516140422 517 1    22 418 1      C-13-H3C(O)CH3
  148086.0559  0.0036 -4.6212 3  107.0403360  59516140422 617 1    22 518 1      C-13-H3C(O)CH3
  148131.1665  0.0750 -5.3501 3  823.2267872  595161404543519 1    543420 1      C-13-H3C(O)CH3
  148157.1205  1.4810 -7.5858 3 2047.9754D84  595161404865234 0    865135 0      C-13-H3C(O)CH3
  148166.8967  0.0498 -6.2683 3  486.6784332  595161404412913 3    412813 3      C-13-H3C(O)CH3
  148170.5349  0.0967 -5.4565 3  900.1205920  595161404573324 0    573225 0      C-13-H3C(O)CH3
  148229.4347  0.0045 -5.4791 3   53.0197232  59516140414 9 6 0    1310 3 0      C-13-H3C(O)CH3
  148243.6089  0.0533 -5.7938 3  554.4292712  595161404443014 2    442916 2      C-13-H3C(O)CH3
  148255.9717  0.0574 -5.2945 3  807.2453872  595161404543123 0    543024 0      C-13-H3C(O)CH3
  148271.6897  0.0033 -4.6196 3  107.0059360  59516140422 517 0    22 418 0      C-13-H3C(O)CH3
  148271.6897  0.0033 -4.6196 3  107.0059360  59516140422 617 0    22 518 0      C-13-H3C(O)CH3
  148279.2529  0.0303 -5.1256 3  655.5311776  595161404483216 1    483117 1      C-13-H3C(O)CH3
  148280.7298  0.0038 -4.9847 3   93.7864172  59516140421 417 3    21 318 3      C-13-H3C(O)CH3
  148280.7298  0.0038 -4.9847 3   93.7864172  59516140421 517 3    21 418 3      C-13-H3C(O)CH3
  148280.8267  0.0046 -4.9847 3   93.7865172  59516140421 417 4    21 318 4      C-13-H3C(O)CH3
  148280.8268  0.0046 -4.9847 3   93.7865172  59516140421 517 4    21 418 4      C-13-H3C(O)CH3
  148285.1353  0.0089 -6.9543 3   41.8360200  5951614041210 3 1    12 7 6 1      C-13-H3C(O)CH3
  148292.0920  0.1314 -5.3541 3  823.2268872  595161404543519 2    543420 2      C-13-H3C(O)CH3
  148303.3924  0.0140 -5.3896 3  223.0965212  5951614042625 1 4    2624 2 4      C-13-H3C(O)CH3
  148335.2333  0.5153 -6.1026 3 1255.3365A80  595161404674225 0    674126 0      C-13-H3C(O)CH3
  148350.5591  0.0098 -4.8370 3  486.6908664  595161404412912 0    412813 0      C-13-H3C(O)CH3
  148351.8745  0.0437 -5.2417 3  765.1624840  595161404523418 0    523319 0      C-13-H3C(O)CH3
  148385.2380  0.0096 -6.5095 3  114.2585328  5951614042014 7 1    2011 9 1      C-13-H3C(O)CH3
  148389.8014  0.0080 -5.0462 3  365.3460284  5951614043527 8 3    3526 9 3      C-13-H3C(O)CH3
  148417.1595  0.0288 -5.1506 3  709.2660808  595161404503317 0    503218 0      C-13-H3C(O)CH3
  148417.6228  0.0035 -6.2926 3  127.0531360  595161404221012 0    2113 9 0      C-13-H3C(O)CH3
  148417.9058  0.0052 -6.4902 3  174.8124424  595161404261215 1    251312 1      C-13-H3C(O)CH3
  148421.0709  0.0063 -6.7923 3  174.8066212  595161404261215 4    251312 4      C-13-H3C(O)CH3
  148426.6530  0.0054 -6.7923 3  174.8064212  595161404261215 3    251312 3      C-13-H3C(O)CH3
  148432.2014  0.0037 -6.2942 3  127.0603360  595161404221012 2    2113 9 2      C-13-H3C(O)CH3
  148432.5821  0.0121 -5.3888 3  223.0631212  5951614042625 2 3    2624 3 3      C-13-H3C(O)CH3
  148436.5267  0.0036 -6.5992 3  127.0710180  595161404221012 3    2113 9 3      C-13-H3C(O)CH3
  148441.5950  0.0038 -6.2966 3  127.0631360  595161404221012 1    2113 9 1      C-13-H3C(O)CH3
  148452.2108  0.0435 -5.3840 3  655.5334388  595161404483216 3    483117 3      C-13-H3C(O)CH3
  148458.2729  0.0089 -5.0461 3  365.3348284  5951614043527 9 4    352610 4      C-13-H3C(O)CH3
  148468.5164  1.3308 -7.5843 3 2047.9481D84  595161404865234 1    865135 1      C-13-H3C(O)CH3
  148472.3122  0.0100 -4.8569 3  486.6849664  595161404412912 1    412813 1      C-13-H3C(O)CH3
  148476.9056  0.0037 -6.5992 3  127.0697180  595161404221012 4    2113 9 4      C-13-H3C(O)CH3
  148488.0318  0.0221 -7.5326 3  174.2537204  595161404251510 3    2418 7 3      C-13-H3C(O)CH3
  148488.3261  0.0075 -4.7452 3  365.3576568  5951614043527 9 1    352610 1      C-13-H3C(O)CH3
  148488.9572  0.0043 -4.6819 3   93.7433344  59516140421 417 2    21 318 2      C-13-H3C(O)CH3
  148488.9572  0.0043 -4.6819 3   93.7433344  59516140421 517 2    21 418 2      C-13-H3C(O)CH3
  148489.0321  0.0087 -6.4456 3   16.9218 68  595161404 8 7 2 4     7 6 1 4      C-13-H3C(O)CH3
  148492.4951  0.0044 -4.6821 3   93.7439344  59516140421 417 1    21 318 1      C-13-H3C(O)CH3
  148492.4951  0.0044 -4.6822 3   93.7439344  59516140421 517 1    21 418 1      C-13-H3C(O)CH3
  148493.1801  0.0125 -5.1706 3  486.6784332  595161404412912 3    412813 3      C-13-H3C(O)CH3
  148494.8752  0.0088 -5.0456 3  365.3498284  5951614043527 8 4    3526 9 4      C-13-H3C(O)CH3
  148502.4667  0.0029 -4.8439 3  287.0267268  595161404331518 3    331419 3      C-13-H3C(O)CH3
  148502.4756  0.0031 -4.8439 3  287.0267268  595161404331518 4    331419 4      C-13-H3C(O)CH3
  148507.8956  0.0031 -4.8439 3  287.0267268  595161404331618 4    331519 4      C-13-H3C(O)CH3
  148507.9055  0.0029 -4.8439 3  287.0267268  595161404331618 3    331519 3      C-13-H3C(O)CH3
  148508.0496  0.0130 -5.0486 3  665.2618792  595161404492921 0    492822 0      C-13-H3C(O)CH3
  148509.1090  0.0028 -4.5428 3  287.0480536  595161404331518 2    331419 2      C-13-H3C(O)CH3
  148514.5748  0.0028 -4.5427 3  287.0480536  595161404331618 2    331519 2      C-13-H3C(O)CH3
  148517.2774  0.0046 -6.4855 3  174.8121424  595161404261215 0    251312 0      C-13-H3C(O)CH3
  148518.9814  0.0046 -6.2253 3  107.1162328  595161404201010 0    1913 7 0      C-13-H3C(O)CH3
  148519.4379  0.0045 -5.7934 3   53.0848116  59516140414 9 6 3    1310 3 3      C-13-H3C(O)CH3
  148524.4077  0.0052 -6.4866 3  174.8061424  595161404261215 2    251312 2      C-13-H3C(O)CH3
  148526.6684  0.0096 -4.8439 3  486.7019664  595161404412912 2    412813 2      C-13-H3C(O)CH3
  148527.6387  0.0029 -4.5428 3  287.0508536  595161404331518 1    331419 1      C-13-H3C(O)CH3
  148532.8828  0.0029 -4.5428 3  287.0508536  595161404331618 1    331519 1      C-13-H3C(O)CH3
  148534.3013  0.0026 -4.5426 3  287.0721536  595161404331518 0    331419 0      C-13-H3C(O)CH3
  148535.4203  0.0115 -6.2945 3   66.1168248  5951614041512 3 0    15 9 6 0      C-13-H3C(O)CH3
  148539.5744  0.0026 -4.5426 3  287.0721536  595161404331618 0    331519 0      C-13-H3C(O)CH3
  148539.6275  0.0075 -4.7447 3  365.3798568  5951614043527 8 2    3526 9 2      C-13-H3C(O)CH3
  148540.0759  0.0468 -5.1322 3  655.5361776  595161404483216 2    483117 2      C-13-H3C(O)CH3
  148540.0870  0.0096 -5.1400 3  486.7001332  595161404412912 4    412813 4      C-13-H3C(O)CH3
  148551.8273  0.0116 -5.0482 3  665.2494792  595161404492921 2    492822 2      C-13-H3C(O)CH3
  148552.2375  0.0134 -5.0483 3  665.2522792  595161404492921 1    492822 1      C-13-H3C(O)CH3
  148564.0833  0.0083 -5.0455 3  365.3387284  5951614043527 9 3    352610 3      C-13-H3C(O)CH3
  148565.3295  0.0100 -6.9563 3   41.8347200  5951614041210 3 2    12 7 6 2      C-13-H3C(O)CH3
  148567.1371  0.0107 -4.8563 3  486.6584664  595161404412913 1    412814 1      C-13-H3C(O)CH3
  148580.7223  0.0124 -5.3883 3  223.0763212  5951614042625 1 3    2624 2 3      C-13-H3C(O)CH3
  148590.5480  0.1102 -5.6389 3  823.2313436  595161404543519 3    543420 3      C-13-H3C(O)CH3
  148592.0750  0.0076 -4.7447 3  365.3614568  5951614043527 8 1    3526 9 1      C-13-H3C(O)CH3
  148593.4667  0.0108 -5.3490 3  665.2397396  595161404492921 4    492822 4      C-13-H3C(O)CH3
  148597.7853  0.0117 -5.0875 3  223.1490424  5951614042625 1 2    2624 2 2      C-13-H3C(O)CH3
  148600.3244  0.0105 -5.3489 3  665.2398396  595161404492921 3    492822 3      C-13-H3C(O)CH3
  148600.3472  0.0023 -4.3657 3   35.7446124  59516140415 115 3    14 014 3      C-13-H3C(O)CH3
  148600.3472  0.0023 -7.4794 3   35.7446124  59516140415 115 3    14 114 3      C-13-H3C(O)CH3
  148600.3472  0.0023 -4.3657 3   35.7446124  59516140415 015 3    14 114 3      C-13-H3C(O)CH3
  148600.3472  0.0023 -7.4812 3   35.7446124  59516140415 015 3    14 014 3      C-13-H3C(O)CH3
  148600.3557  0.0023 -7.4656 3   35.7446124  59516140415 015 4    14 014 4      C-13-H3C(O)CH3
  148600.3557  0.0023 -4.3654 3   35.7446124  59516140415 115 4    14 014 4      C-13-H3C(O)CH3
  148600.3557  0.0023 -4.3657 3   35.7446124  59516140415 015 4    14 114 4      C-13-H3C(O)CH3
  148607.1572  0.0026 -4.0642 3   35.6724248  59516140415 015 1    14 114 1      C-13-H3C(O)CH3
  148607.1572  0.0026 -6.5062 3   35.6724248  59516140415 115 1    14 114 1      C-13-H3C(O)CH3
  148607.1572  0.0026 -4.0658 3   35.6724248  59516140415 115 1    14 014 1      C-13-H3C(O)CH3
  148607.2464  0.0025 -4.0643 3   35.6719248  59516140415 015 2    14 114 2      C-13-H3C(O)CH3
  148607.2464  0.0025 -7.5321 3   35.6719248  59516140415 115 2    14 114 2      C-13-H3C(O)CH3
  148607.2464  0.0025 -4.0643 3   35.6719248  59516140415 115 2    14 014 2      C-13-H3C(O)CH3
  148607.2464  0.0025 -7.4459 3   35.6719248  59516140415 015 2    14 014 2      C-13-H3C(O)CH3
  148609.9757  0.0075 -4.7446 3  365.3686568  5951614043527 9 2    352610 2      C-13-H3C(O)CH3
  148612.7493  0.0127 -5.0874 3  223.1302424  5951614042625 1 1    2624 2 1      C-13-H3C(O)CH3
  148613.2697  0.0043 -5.0749 3   81.0936164  59516140420 317 3    20 218 3      C-13-H3C(O)CH3
  148613.2697  0.0043 -5.0749 3   81.0936164  59516140420 417 3    20 318 3      C-13-H3C(O)CH3
  148613.4361  0.0051 -5.1707 3   81.0936164  59516140420 417 4    20 318 4      C-13-H3C(O)CH3
  148613.4361  0.0051 -5.7769 3   81.0936164  59516140420 417 4    20 218 4      C-13-H3C(O)CH3
  148613.4361  0.0051 -5.1707 3   81.0936164  59516140420 317 4    20 218 4      C-13-H3C(O)CH3
  148613.4361  0.0051 -5.7770 3   81.0936164  59516140420 317 4    20 318 4      C-13-H3C(O)CH3
  148614.0348  0.0024 -7.3951 3   35.5998248  59516140415 115 0    14 114 0      C-13-H3C(O)CH3
  148614.0348  0.0024 -4.0642 3   35.5998248  59516140415 115 0    14 014 0      C-13-H3C(O)CH3
  148614.0348  0.0024 -4.0640 3   35.5998248  59516140415 015 0    14 114 0      C-13-H3C(O)CH3
  148636.9029  0.0074 -4.7445 3  365.3913568  5951614043527 8 0    3526 9 0      C-13-H3C(O)CH3
  148641.5703  0.0070 -6.0270 3   70.4779264  5951614041610 6 2    16 7 9 2      C-13-H3C(O)CH3
  148642.3881  0.0074 -4.7445 3  365.3911568  5951614043527 9 0    352610 0      C-13-H3C(O)CH3
  148662.3497  1.4041 -6.9101 3 1691.9703C56  595161404784830 0    784731 0      C-13-H3C(O)CH3
  148677.4934  0.0059 -6.0222 3   70.4441264  5951614041610 6 0    16 7 9 0      C-13-H3C(O)CH3
  148685.9653  0.0096 -4.8351 3  486.6782664  595161404412913 0    412814 0      C-13-H3C(O)CH3
  148689.8481  0.0096 -5.0743 3  296.4782252  5951614043126 5 4    3125 6 4      C-13-H3C(O)CH3
  148700.2321  1.6644 -6.9100 3 1691.9730C56  595161404784830 2    784731 2      C-13-H3C(O)CH3
  148700.2616  0.0040 -4.6803 3   93.7008344  59516140421 517 0    21 418 0      C-13-H3C(O)CH3
  148700.2616  0.0040 -4.6803 3   93.7008344  59516140421 417 0    21 318 0      C-13-H3C(O)CH3
  148701.2050  0.0084 -5.0740 3  296.4684252  5951614043126 6 3    3125 7 3      C-13-H3C(O)CH3
  148709.2844  0.0128 -5.3874 3  223.0429212  5951614042625 2 4    2624 3 4      C-13-H3C(O)CH3
  148712.1833  0.0130 -6.5634 3   66.1609248  5951614041512 3 1    15 9 6 1      C-13-H3C(O)CH3
  148713.5935  0.0136 -5.1393 3  486.6368332  595161404412913 4    412814 4      C-13-H3C(O)CH3
  148713.7393  0.0260 -7.2306 3  423.6616616  595161404382811 1    382711 1      C-13-H3C(O)CH3
  148714.0843  0.0079 -6.3356 3   70.5139132  5951614041610 6 3    16 7 9 3      C-13-H3C(O)CH3
  148723.6885  0.0114 -4.8430 3  486.6612664  595161404412913 2    412814 2      C-13-H3C(O)CH3
  148727.0170  0.0124 -5.0867 3  223.1155424  5951614042625 2 2    2624 3 2      C-13-H3C(O)CH3
  148735.1492  0.0054 -6.2352 3  107.1237328  595161404201010 2    1913 7 2      C-13-H3C(O)CH3
  148739.6816  0.0198 -7.5920 3  236.0245472  595161404291811 1    2821 8 1      C-13-H3C(O)CH3
  148760.2708  0.0126 -5.1693 3  486.6586332  595161404412913 3    412814 3      C-13-H3C(O)CH3
  148772.2491  0.0085 -6.3366 3   70.5140132  5951614041610 6 4    16 7 9 4      C-13-H3C(O)CH3
  148776.5663  0.0067 -6.0303 3   70.4801264  5951614041610 6 1    16 7 9 1      C-13-H3C(O)CH3
  148777.8285  0.0096 -7.0951 3  246.4239488  595161404301714 2    2920 9 2      C-13-H3C(O)CH3
  148786.9482  0.0135 -7.4688 3  246.4085244  595161404301714 4    2920 9 4      C-13-H3C(O)CH3
  148796.7081  0.0173 -7.2973 3  174.2483408  595161404251510 1    2418 7 1      C-13-H3C(O)CH3
  148809.6454  0.0093 -6.6411 3  114.2503328  5951614042014 7 2    2011 9 2      C-13-H3C(O)CH3
  148832.6672  0.0533 -5.2611 3  765.1693840  595161404523418 1    523319 1      C-13-H3C(O)CH3
  148837.1840  0.6691 -6.1004 3 1255.3393A80  595161404674225 2    674126 2      C-13-H3C(O)CH3
  148837.9544  0.0031 -7.2926 3   51.2586232  59516140414 8 7 2    13 9 5 2      C-13-H3C(O)CH3
  148843.8973  0.0052 -6.2032 3   81.0412328  59516140420 417 2    20 218 2      C-13-H3C(O)CH3
  148843.8973  0.0052 -4.7880 3   81.0412328  59516140420 417 2    20 318 2      C-13-H3C(O)CH3
  148843.8973  0.0052 -6.2033 3   81.0412328  59516140420 317 2    20 318 2      C-13-H3C(O)CH3
  148843.8973  0.0052 -4.7880 3   81.0412328  59516140420 317 2    20 218 2      C-13-H3C(O)CH3
  148846.2873  0.0053 -4.7722 3   81.0417328  59516140420 317 1    20 218 1      C-13-H3C(O)CH3
  148846.2873  0.0053 -4.7719 3   81.0417328  59516140420 417 1    20 318 1      C-13-H3C(O)CH3
  148854.3432  0.0080 -4.7727 3  296.5040504  5951614043126 5 1    3125 6 1      C-13-H3C(O)CH3
  148858.1460  0.0096 -7.1316 3   41.8840100  5951614041210 3 3    12 7 6 3      C-13-H3C(O)CH3
  148865.4859  0.0089 -7.0797 3  246.4415488  595161404301714 0    2920 9 0      C-13-H3C(O)CH3
  148865.6949  0.0395 -5.1875 3  709.2719808  595161404503317 1    503218 1      C-13-H3C(O)CH3
  148875.5260  0.0086 -5.0734 3  296.4698252  5951614043126 5 3    3125 6 3      C-13-H3C(O)CH3
  148880.0172  0.0048 -6.5268 3  107.1379164  595161404201010 3    1913 7 3      C-13-H3C(O)CH3
  148885.8295  0.0095 -5.0731 3  296.4599252  5951614043126 6 4    3125 7 4      C-13-H3C(O)CH3
  148890.4189  0.0124 -5.0861 3  223.1099424  5951614042625 2 1    2624 3 1      C-13-H3C(O)CH3
  148892.8509  0.0478 -7.4894 3  423.6515308  595161404382811 3    382711 3      C-13-H3C(O)CH3
  148898.4210  0.0049 -7.3508 3   68.9967156  59516140419 217 3    19 118 3      C-13-H3C(O)CH3
  148898.4210  0.0049 -7.2623 3   68.9967156  59516140419 317 3    19 218 3      C-13-H3C(O)CH3
  148898.4210  0.0049 -5.2195 3   68.9967156  59516140419 217 3    19 218 3      C-13-H3C(O)CH3
  148898.4210  0.0049 -5.2203 3   68.9967156  59516140419 317 3    19 118 3      C-13-H3C(O)CH3
  148898.6690  0.0057 -5.2175 3   68.9967156  59516140419 217 4    19 118 4      C-13-H3C(O)CH3
  148898.6690  0.0057 -5.2175 3   68.9967156  59516140419 317 4    19 218 4      C-13-H3C(O)CH3
  148909.5422  0.0127 -5.0863 3  223.1826424  5951614042625 2 0    2624 3 0      C-13-H3C(O)CH3
  148909.5422  0.0127 -5.0863 3  223.1826424  5951614042625 1 0    2624 2 0      C-13-H3C(O)CH3
  148918.6522  0.0076 -4.7725 3  296.5200504  5951614043126 5 2    3125 6 2      C-13-H3C(O)CH3
  148928.7519  0.0080 -4.7722 3  296.5101504  5951614043126 6 2    3125 7 2      C-13-H3C(O)CH3
  148930.8634  0.0030 -7.1803 3   51.2573232  59516140414 8 7 1    13 9 5 1      C-13-H3C(O)CH3
  148953.3653  0.0057 -6.2388 3  107.1208328  595161404201010 1    1913 7 1      C-13-H3C(O)CH3
  148953.7211  0.0047 -4.6755 3  412.4816632  595161404392019 2    391920 2      C-13-H3C(O)CH3
  148956.0673  0.0125 -6.5655 3   66.1543248  5951614041512 3 2    15 9 6 2      C-13-H3C(O)CH3
  148956.4583  0.0037 -4.6756 3  412.5099632  595161404392019 0    391920 0      C-13-H3C(O)CH3
  148966.6941  0.0104 -7.1325 3  246.4232488  595161404301714 1    2920 9 1      C-13-H3C(O)CH3
  148971.8109  0.1544 -5.6718 3  823.2363436  595161404543519 4    543420 4      C-13-H3C(O)CH3
  148981.0383  0.0050 -4.9764 3  412.4569316  595161404392019 3    391920 3      C-13-H3C(O)CH3
  148981.4053  0.0050 -4.9764 3  412.4568316  595161404392019 4    391920 4      C-13-H3C(O)CH3
  148983.7065  0.0041 -4.6755 3  412.4852632  595161404392019 1    391920 1      C-13-H3C(O)CH3
  148990.6477  0.0069 -5.7008 3   63.9324248  5951614041511 5 0    1412 2 0      C-13-H3C(O)CH3
  149001.3310  0.0479 -5.4267 3  655.5460388  595161404483216 4    483117 4      C-13-H3C(O)CH3
  149007.4851  0.0118 -7.4066 3  246.4012244  595161404301714 3    2920 9 3      C-13-H3C(O)CH3
  149038.8471  0.0080 -4.7717 3  296.4955504  5951614043126 6 1    3125 7 1      C-13-H3C(O)CH3
  149042.9677  0.0958 -5.2693 3  765.1705840  595161404523418 2    523319 2      C-13-H3C(O)CH3
  149076.3914  0.0049 -4.7996 3   80.9895328  59516140420 417 0    20 318 0      C-13-H3C(O)CH3
  149076.3914  0.0049 -4.7996 3   80.9895328  59516140420 317 0    20 218 0      C-13-H3C(O)CH3
  149076.3914  0.0049 -5.9497 3   80.9895328  59516140420 417 0    20 218 0      C-13-H3C(O)CH3
  149076.3914  0.0049 -5.9498 3   80.9895328  59516140420 317 0    20 318 0      C-13-H3C(O)CH3
  149084.0656  0.0080 -4.7719 3  296.5456504  5951614043126 5 0    3125 6 0      C-13-H3C(O)CH3
  149084.1323  0.0080 -4.7719 3  296.5456504  5951614043126 6 0    3125 7 0      C-13-H3C(O)CH3
  149086.5542  0.0525 -6.2628 3  486.6586332  595161404412912 3    412814 3      C-13-H3C(O)CH3
  149088.2251  0.0091 -5.0780 3  423.6515308  595161404382810 3    382711 3      C-13-H3C(O)CH3
  149092.1742  0.0716 -6.2991 3  554.4124356  595161404443014 4    442916 4      C-13-H3C(O)CH3
  149099.6897  0.0089 -7.5654 3   41.8840100  5951614041210 2 3    12 7 6 3      C-13-H3C(O)CH3
  149104.0648  0.4884 -6.0992 3 1255.3329A80  595161404674225 1    674126 1      C-13-H3C(O)CH3
  149112.2957  0.0680 -5.1983 3  709.2749808  595161404503317 2    503218 2      C-13-H3C(O)CH3
  149124.5246  0.0091 -7.0595 3   36.1289184  5951614041110 2 0    11 7 5 0      C-13-H3C(O)CH3
  149126.5850  0.0573 -5.4550 3  709.2760404  595161404503317 3    503218 3      C-13-H3C(O)CH3
  149133.0992  0.0088 -4.7768 3  423.6477616  595161404382811 1    382712 1      C-13-H3C(O)CH3
  149141.0886  0.0089 -5.0762 3  423.6653308  595161404382810 4    382711 4      C-13-H3C(O)CH3
  149141.2251  0.0056 -5.4945 3   57.4971148  59516140418 117 3    18 018 3      C-13-H3C(O)CH3
  149141.2251  0.0056 -7.0874 3   57.4971148  59516140418 217 3    18 018 3      C-13-H3C(O)CH3
  149141.2251  0.0056 -7.0874 3   57.4971148  59516140418 117 3    18 118 3      C-13-H3C(O)CH3
  149141.2251  0.0056 -5.4945 3   57.4971148  59516140418 217 3    18 118 3      C-13-H3C(O)CH3
  149141.5662  0.0064 -5.4843 3   57.4971148  59516140418 117 4    18 018 4      C-13-H3C(O)CH3
  149141.5662  0.0064 -5.4843 3   57.4971148  59516140418 217 4    18 118 4      C-13-H3C(O)CH3
  149151.5125  0.0062 -5.6096 3   68.9347312  59516140419 217 2    19 118 2      C-13-H3C(O)CH3
  149151.5125  0.0062 -5.0108 3   68.9347312  59516140419 217 2    19 218 2      C-13-H3C(O)CH3
  149151.5125  0.0062 -5.6144 3   68.9347312  59516140419 317 2    19 218 2      C-13-H3C(O)CH3
  149151.5125  0.0062 -5.0096 3   68.9347312  59516140419 317 2    19 118 2      C-13-H3C(O)CH3
  149152.8049  0.0063 -5.1918 3   68.9352312  59516140419 317 1    19 218 1      C-13-H3C(O)CH3
  149152.8049  0.0063 -5.2384 3   68.9352312  59516140419 317 1    19 118 1      C-13-H3C(O)CH3
  149152.8049  0.0063 -5.2323 3   68.9352312  59516140419 217 1    19 218 1      C-13-H3C(O)CH3
  149152.8049  0.0063 -5.1973 3   68.9352312  59516140419 217 1    19 118 1      C-13-H3C(O)CH3
  149158.1777  0.0171 -6.8654 3   66.1994124  5951614041512 3 4    15 9 6 4      C-13-H3C(O)CH3
  149161.3684  0.0037 -4.6745 3  412.5107632  595161404392119 0    392020 0      C-13-H3C(O)CH3
  149166.3718  0.0045 -4.6744 3  412.4824632  595161404392119 2    392020 2      C-13-H3C(O)CH3
  149169.2761  0.0082 -4.7755 3  423.6805616  595161404382810 2    382711 2      C-13-H3C(O)CH3
  149179.4806  0.0082 -4.7765 3  423.6616616  595161404382810 1    382711 1      C-13-H3C(O)CH3
  149187.8722  0.0081 -4.7752 3  423.6774616  595161404382810 0    382711 0      C-13-H3C(O)CH3
  149190.6117  0.0041 -4.6743 3  412.4861632  595161404392119 1    392020 1      C-13-H3C(O)CH3
  149194.3779  0.0788 -5.5410 3  765.1741420  595161404523418 3    523319 3      C-13-H3C(O)CH3
  149195.7808  0.0047 -4.9752 3  412.4577316  595161404392119 4    392020 4      C-13-H3C(O)CH3
  149195.8116  0.0047 -4.9752 3  412.4577316  595161404392119 3    392020 3      C-13-H3C(O)CH3
  149201.3737  0.0103 -5.0762 3  423.6256308  595161404382811 4    382712 4      C-13-H3C(O)CH3
  149236.7611  0.0081 -4.7749 3  423.6756616  595161404382811 0    382712 0      C-13-H3C(O)CH3
  149236.8275  0.0050 -7.2672 3   53.0609116  59516140414 9 6 3    1310 4 3      C-13-H3C(O)CH3
  149243.3798  0.0037 -7.0044 3   51.2864116  59516140414 8 7 4    13 9 5 4      C-13-H3C(O)CH3
  149254.5787  0.0096 -5.0774 3  423.6394308  595161404382811 3    382712 3      C-13-H3C(O)CH3
  149266.6205  0.0317 -6.1637 3  486.6584664  595161404412912 1    412814 1      C-13-H3C(O)CH3
  149273.6855  0.0056 -4.8389 3  531.8421712  595161404442520 0    442421 0      C-13-H3C(O)CH3
  149282.0316  0.0074 -4.8386 3  531.8197712  595161404442520 2    442421 2      C-13-H3C(O)CH3
  149283.6481  0.0088 -4.7751 3  423.6546616  595161404382811 2    382712 2      C-13-H3C(O)CH3
  149302.4980  0.0061 -4.8386 3  531.8233712  595161404442520 1    442421 1      C-13-H3C(O)CH3
  149310.5931  0.0077 -5.1394 3  531.8008356  595161404442520 4    442421 4      C-13-H3C(O)CH3
  149311.7071  0.0076 -5.1394 3  531.8009356  595161404442520 3    442421 3      C-13-H3C(O)CH3
  149320.5336  1.3046 -6.9072 3 1691.9509C56  595161404784830 1    784731 1      C-13-H3C(O)CH3
  149327.6698  0.0592 -7.0536 3  532.9608348  595161404433014 4    432914 4      C-13-H3C(O)CH3
  149329.3114  0.0217 -5.3341 3  603.8213372  595161404463116 4    463017 4      C-13-H3C(O)CH3
  149348.4863  0.0158 -5.6547 3  210.8960204  5951614042525 0 4    2524 1 4      C-13-H3C(O)CH3
  149355.5333  1.3894 -7.2081 3 1691.9536628  595161404784830 4    784731 4      C-13-H3C(O)CH3
  149358.9989  1.3698 -7.2081 3 1691.9538628  595161404784830 3    784731 3      C-13-H3C(O)CH3
  149381.5885  0.0168 -5.0551 3  603.8305744  595161404463116 1    463017 1      C-13-H3C(O)CH3
  149405.3067  0.0060 -6.3275 3   68.8734312  59516140419 217 0    19 218 0      C-13-H3C(O)CH3
  149405.3067  0.0060 -4.9283 3   68.8734312  59516140419 217 0    19 118 0      C-13-H3C(O)CH3
  149405.3067  0.0060 -6.3277 3   68.8734312  59516140419 317 0    19 118 0      C-13-H3C(O)CH3
  149405.3067  0.0060 -4.9283 3   68.8734312  59516140419 317 0    19 218 0      C-13-H3C(O)CH3
  149410.0039  0.0193 -5.0516 3  603.8325744  595161404463116 2    463017 2      C-13-H3C(O)CH3
  149414.7053  0.0079 -6.5625 3  107.1203164  595161404201010 4    1913 7 4      C-13-H3C(O)CH3
  149416.6983  0.0074 -6.7291 3   57.4252296  59516140418 117 2    18 118 2      C-13-H3C(O)CH3
  149416.6983  0.0074 -5.1927 3   57.4252296  59516140418 117 2    18 018 2      C-13-H3C(O)CH3
  149416.6983  0.0074 -5.2024 3   57.4252296  59516140418 217 2    18 118 2      C-13-H3C(O)CH3
  149416.6983  0.0074 -6.4839 3   57.4252296  59516140418 217 2    18 018 2      C-13-H3C(O)CH3
  149416.9454  0.0075 -6.8766 3   57.4257296  59516140418 217 1    18 018 1      C-13-H3C(O)CH3
  149416.9454  0.0075 -6.8766 3   57.4257296  59516140418 117 1    18 118 1      C-13-H3C(O)CH3
  149416.9454  0.0075 -5.1893 3   57.4257296  59516140418 217 1    18 118 1      C-13-H3C(O)CH3
  149416.9454  0.0075 -5.1893 3   57.4257296  59516140418 117 1    18 018 1      C-13-H3C(O)CH3
  149418.9515  0.0128 -6.3578 3   63.9670124  5951614041511 5 3    1412 2 3      C-13-H3C(O)CH3
  149449.9528  0.0492 -7.4858 3  423.6394308  595161404382810 3    382712 3      C-13-H3C(O)CH3
  149504.8955  0.0135 -4.9800 3  603.8346744  595161404463116 0    463017 0      C-13-H3C(O)CH3
  149511.9203  0.0136 -5.6538 3  210.8594204  5951614042525 1 3    2524 2 3      C-13-H3C(O)CH3
  149542.4284  0.0077 -6.6689 3  137.4451188  595161404231113 4    221210 4      C-13-H3C(O)CH3
  149561.1875  0.0064 -6.6689 3  137.4444188  595161404231113 3    221210 3      C-13-H3C(O)CH3
  149577.6020  0.0023 -7.3965 3   36.7599100  59516140412 6 6 4    11 7 4 4      C-13-H3C(O)CH3
  149593.9602  0.5829 -6.3979 3 1255.3357540  595161404674225 3    674126 3      C-13-H3C(O)CH3
  149594.7117  0.0059 -6.3661 3  137.4386376  595161404231113 1    221210 1      C-13-H3C(O)CH3
  149598.8405  0.0276 -7.2255 3  423.6477616  595161404382810 1    382712 1      C-13-H3C(O)CH3
  149610.4096  0.5629 -6.6506 3 1396.6865572  595161404714229 4    714130 4      C-13-H3C(O)CH3
  149610.6049  0.5647 -6.6506 3 1396.6864572  595161404714229 3    714130 3      C-13-H3C(O)CH3
  149612.4676  0.6270 -6.3983 3 1255.3362540  595161404674225 4    674126 4      C-13-H3C(O)CH3
  149619.7643  0.0113 -6.2459 3   63.9603124  5951614041511 5 3    1412 3 3      C-13-H3C(O)CH3
  149620.1251  0.0072 -5.8978 3   53.0094232  59516140414 9 6 2    1310 4 2      C-13-H3C(O)CH3
  149647.7037  0.0102 -7.4020 3   36.1788184  5951614041110 1 1    11 7 5 1      C-13-H3C(O)CH3
  149648.6644  0.0139 -5.6533 3  210.8755204  5951614042525 0 3    2524 1 3      C-13-H3C(O)CH3
  149649.9905  0.0134 -5.3527 3  210.9523408  5951614042525 0 2    2524 1 2      C-13-H3C(O)CH3
  149650.7796  0.0050 -7.3674 3   40.0786200  59516140412 9 3 2    12 6 7 2      C-13-H3C(O)CH3
  149658.7506  0.0050 -7.3191 3   40.0799200  59516140412 9 3 1    12 6 7 1      C-13-H3C(O)CH3
  149682.7086  0.0747 -5.5096 3  709.2856404  595161404503317 4    503218 4      C-13-H3C(O)CH3
  149685.6706  0.1108 -5.5895 3  765.1811420  595161404523418 4    523319 4      C-13-H3C(O)CH3
  149688.1253  0.0148 -5.3525 3  210.9336408  5951614042525 0 1    2524 1 1      C-13-H3C(O)CH3
  149691.7592  0.0073 -5.4842 3   57.3540296  59516140418 117 0    18 118 0      C-13-H3C(O)CH3
  149691.7592  0.0073 -5.4743 3   57.3540296  59516140418 117 0    18 018 0      C-13-H3C(O)CH3
  149691.7592  0.0073 -5.4743 3   57.3540296  59516140418 217 0    18 118 0      C-13-H3C(O)CH3
  149691.7592  0.0073 -5.4842 3   57.3540296  59516140418 217 0    18 018 0      C-13-H3C(O)CH3
  149734.0234  0.0056 -6.5901 3  216.3933472  595161404291217 1    281514 1      C-13-H3C(O)CH3
  149747.4332  0.0502 -6.5718 3  486.6612664  595161404412912 2    412814 2      C-13-H3C(O)CH3
  149747.8151  0.0099 -7.3982 3   36.1783184  5951614041110 1 2    11 7 5 2      C-13-H3C(O)CH3
  149750.0362  0.0060 -6.8918 3  216.3782236  595161404291217 4    281514 4      C-13-H3C(O)CH3
  149750.2397  0.0054 -6.8918 3  216.3782236  595161404291217 3    281514 3      C-13-H3C(O)CH3
  149764.9903  0.0060 -6.3618 3  137.4302376  595161404231113 2    221210 2      C-13-H3C(O)CH3
  149775.7248  0.0049 -6.5862 3  216.4039472  595161404291217 0    281514 0      C-13-H3C(O)CH3
  149791.6065  0.0029 -4.8245 3  267.2790260  595161404321418 4    321319 4      C-13-H3C(O)CH3
  149791.6387  0.0027 -4.8245 3  267.2790260  595161404321418 3    321319 3      C-13-H3C(O)CH3
  149792.0843  0.0056 -6.5869 3  216.3887472  595161404291217 2    281514 2      C-13-H3C(O)CH3
  149793.3518  0.0029 -4.8245 3  267.2790260  595161404321518 4    321419 4      C-13-H3C(O)CH3
  149793.3912  0.0027 -4.8245 3  267.2790260  595161404321518 3    321419 3      C-13-H3C(O)CH3
  149800.0367  0.0243 -5.3163 3  603.8369372  595161404463116 3    463017 3      C-13-H3C(O)CH3
  149800.3993  0.4452 -6.3488 3 1396.6823B44  595161404714229 1    714130 1      C-13-H3C(O)CH3
  149805.8625  0.0053 -6.3601 3  137.4242376  595161404231113 0    221210 0      C-13-H3C(O)CH3
  149811.1416  0.0027 -4.5233 3  267.2980520  595161404321418 2    321319 2      C-13-H3C(O)CH3
  149811.7492  0.0142 -5.6524 3  210.8389204  5951614042525 1 4    2524 2 4      C-13-H3C(O)CH3
  149812.9070  0.0027 -4.5233 3  267.2980520  595161404321518 2    321419 2      C-13-H3C(O)CH3
  149813.8928  0.0141 -5.3517 3  210.9156408  5951614042525 1 2    2524 2 2      C-13-H3C(O)CH3
  149827.6685  0.0027 -4.5233 3  267.3005520  595161404321418 1    321319 1      C-13-H3C(O)CH3
  149829.3562  0.0027 -4.5233 3  267.3005520  595161404321518 1    321419 1      C-13-H3C(O)CH3
  149842.9088  0.0065 -5.8710 3   53.0027232  59516140414 9 6 1    1310 4 1      C-13-H3C(O)CH3
  149847.1601  0.0024 -4.5230 3  267.3195520  595161404321418 0    321319 0      C-13-H3C(O)CH3
  149848.8614  0.0024 -4.5230 3  267.3195520  595161404321518 0    321419 0      C-13-H3C(O)CH3
  149853.3755  0.0072 -5.7419 3   63.9149248  5951614041511 5 2    1412 3 2      C-13-H3C(O)CH3
  149877.1539  0.0079 -5.7413 3   63.9881248  5951614041511 4 2    1412 2 2      C-13-H3C(O)CH3
  149915.9468  0.0223 -5.1706 3  734.2025824  595161404513319 0    513220 0      C-13-H3C(O)CH3
  149940.2528  0.0072 -6.6918 3   41.7872200  5951614041210 3 0    12 7 6 0      C-13-H3C(O)CH3
  149950.3545  0.0107 -6.0066 3   64.0403124  5951614041511 4 4    1412 2 4      C-13-H3C(O)CH3
  149974.1995  0.5936 -6.3482 3 1396.6957B44  595161404714229 2    714130 2      C-13-H3C(O)CH3
  149979.7949  0.0092 -7.1204 3  261.1476504  595161404311715 2    302010 2      C-13-H3C(O)CH3
  149982.5324  0.0072 -5.7326 3   63.9045248  5951614041511 5 1    1412 3 1      C-13-H3C(O)CH3
  149989.1465  0.0143 -5.3511 3  210.9130408  5951614042525 1 1    2524 2 1      C-13-H3C(O)CH3
  149992.3656  0.0146 -5.3514 3  210.9899408  5951614042525 1 0    2524 2 0      C-13-H3C(O)CH3
  149992.3656  0.0146 -5.3514 3  210.9899408  5951614042525 0 0    2524 1 0      C-13-H3C(O)CH3
  150004.1894  0.0087 -7.4309 3  261.1294252  595161404311715 4    302010 4      C-13-H3C(O)CH3
  150025.6061  0.0096 -7.4279 3  261.1287252  595161404311715 3    302010 3      C-13-H3C(O)CH3
  150043.1219  0.0083 -5.7311 3   63.9843248  5951614041511 4 1    1412 2 1      C-13-H3C(O)CH3
  150060.7669  0.0198 -5.1771 3  734.2070824  595161404513319 1    513220 1      C-13-H3C(O)CH3
  150084.9451  0.0090 -7.1163 3  261.1666504  595161404311715 0    302010 0      C-13-H3C(O)CH3
  150088.7180  0.0279 -6.5767 3  679.5211792  595161404493217 1    493119 1      C-13-H3C(O)CH3
  150089.3459  0.0270 -5.4992 3  734.2101412  595161404513319 4    513220 4      C-13-H3C(O)CH3
  150107.4316  0.0256 -5.1813 3  734.2075824  595161404513319 2    513220 2      C-13-H3C(O)CH3
  150111.3608  0.0061 -7.4275 3   40.1301100  59516140412 9 3 4    12 6 7 4      C-13-H3C(O)CH3
  150111.5832  0.0489 -6.3606 3  532.9547696  595161404433014 2    432914 2      C-13-H3C(O)CH3
  150116.7653  0.0091 -7.1243 3  261.1482504  595161404311715 1    302010 1      C-13-H3C(O)CH3
  150166.6761  0.4603 -6.3475 3 1396.6914B44  595161404714229 0    714130 0      C-13-H3C(O)CH3
  150187.7208  0.0057 -6.5872 3  216.3782472  595161404291317 1    281414 1      C-13-H3C(O)CH3
  150199.7129  0.0094 -5.6167 3   16.8392136  595161404 8 7 2 1     7 6 1 1      C-13-H3C(O)CH3
  150206.2437  0.0061 -6.8889 3  216.3630236  595161404291317 4    281414 4      C-13-H3C(O)CH3
  150207.7690  0.0056 -6.8889 3  216.3629236  595161404291317 3    281414 3      C-13-H3C(O)CH3
  150239.4682  0.0049 -6.5833 3  216.3884472  595161404291317 0    281414 0      C-13-H3C(O)CH3
  150259.3802  0.0056 -6.5839 3  216.3732472  595161404291317 2    281414 2      C-13-H3C(O)CH3
  150317.2752  0.0539 -6.3676 3  679.5220792  595161404493217 2    493119 2      C-13-H3C(O)CH3
  150328.8971  0.0075 -5.6911 3   63.9320248  5951614041511 4 0    1412 3 0      C-13-H3C(O)CH3
  150374.6581  0.0322 -6.0418 3  532.9390696  595161404433014 1    432914 1      C-13-H3C(O)CH3
  150385.5293  0.0115 -5.5448 3   16.8382136  595161404 8 7 2 2     7 6 1 2      C-13-H3C(O)CH3
  150406.4868  0.0106 -5.1108 3  281.7607244  5951614043026 4 4    3025 5 4      C-13-H3C(O)CH3
  150415.9377  0.0433 -6.3698 3  603.8369372  595161404463115 3    463017 3      C-13-H3C(O)CH3
  150423.7299  0.0028 -4.9844 3   15.7546 68  595161404 8 6 2 3     7 5 3 3      C-13-H3C(O)CH3
  150436.5792  0.0598 -7.2496 3  486.6368332  595161404412912 4    412814 4      C-13-H3C(O)CH3
  150451.3505  0.0092 -5.1104 3  281.7458244  5951614043026 5 3    3025 6 3      C-13-H3C(O)CH3
  150452.3486  0.0354 -5.4700 3  734.2141412  595161404513319 3    513220 3      C-13-H3C(O)CH3
  150485.9874  0.0085 -6.0043 3   63.8871124  5951614041511 5 4    1412 3 4      C-13-H3C(O)CH3
  150496.4413  0.8772 -7.4824 3 1999.0663D68  595161404855134 0    855035 0      C-13-H3C(O)CH3
  150496.7444  0.7066 -7.4825 3 1999.0713D68  595161404855134 2    855035 2      C-13-H3C(O)CH3
  150502.0989  0.0362 -5.7778 3  603.8305744  595161404463115 1    463017 1      C-13-H3C(O)CH3
  150526.1994  0.0084 -7.0366 3   41.8360200  5951614041210 2 1    12 7 6 1      C-13-H3C(O)CH3
  150589.1339  0.0085 -5.9085 3  114.2731164  5951614042014 6 3    2011 9 3      C-13-H3C(O)CH3
  150592.5371  0.0082 -7.0362 3   41.8347200  5951614041210 2 2    12 7 6 2      C-13-H3C(O)CH3
  150593.4245  0.8312 -7.4818 3 1999.0399D68  595161404855134 1    855035 1      C-13-H3C(O)CH3
  150611.7122  0.0089 -4.8090 3  281.7889488  5951614043026 4 1    3025 5 1      C-13-H3C(O)CH3
  150620.6751  0.0095 -5.1098 3  281.7509244  5951614043026 4 3    3025 5 3      C-13-H3C(O)CH3
  150638.6550  0.0024 -4.6776 3   15.6292136  595161404 8 6 2 0     7 5 3 0      C-13-H3C(O)CH3
  150650.6756  0.0084 -4.8090 3  281.8064488  5951614043026 4 2    3025 5 2      C-13-H3C(O)CH3
  150652.8322  0.0173 -7.4780 3  343.8789568  595161404352214 0    3425 9 0      C-13-H3C(O)CH3
  150658.6467  0.0021 -4.9009 3   29.6280 92  59516140411 5 6 3    10 6 5 3      C-13-H3C(O)CH3
  150664.4929  0.0103 -5.1093 3  281.7361244  5951614043026 5 4    3025 6 4      C-13-H3C(O)CH3
  150682.9304  0.0023 -4.6015 3   29.5718184  59516140411 5 6 2    10 6 5 2      C-13-H3C(O)CH3
  150689.8919  0.0034 -4.7107 3   15.6905136  595161404 8 6 2 2     7 5 3 2      C-13-H3C(O)CH3
  150694.6712  0.0089 -4.8085 3  281.7915488  5951614043026 5 2    3025 6 2      C-13-H3C(O)CH3
  150700.7728  0.0023 -4.9008 3   29.6269 92  59516140411 5 6 4    10 6 5 4      C-13-H3C(O)CH3
  150717.8930  0.0023 -4.6004 3   29.5726184  59516140411 5 6 1    10 6 5 1      C-13-H3C(O)CH3
  150720.4771  0.0374 -5.2981 3  817.7166872  595161404543421 0    543322 0      C-13-H3C(O)CH3
  150721.0226  0.0021 -4.6020 3   29.5172184  59516140411 5 6 0    10 6 5 0      C-13-H3C(O)CH3
  150735.0539  0.0032 -4.7184 3   15.6901136  595161404 8 6 2 1     7 5 3 1      C-13-H3C(O)CH3
  150782.4188  0.0076 -6.0601 3   53.0057116  59516140414 9 6 4    1310 4 4      C-13-H3C(O)CH3
  150824.6831  0.0108 -6.2365 3   63.9670124  5951614041511 4 3    1412 2 3      C-13-H3C(O)CH3
  150825.1631  0.0088 -4.8080 3  281.7791488  5951614043026 5 1    3025 6 1      C-13-H3C(O)CH3
  150857.3460  0.0089 -4.8082 3  281.8345488  5951614043026 4 0    3025 5 0      C-13-H3C(O)CH3
  150857.3545  0.0089 -4.8082 3  281.8345488  5951614043026 5 0    3025 6 0      C-13-H3C(O)CH3
  150864.4474  0.0081 -5.0475 3  348.5640276  5951614043427 8 3    3426 8 3      C-13-H3C(O)CH3
  150905.9880  0.0089 -5.0475 3  348.5586276  5951614043427 8 4    3426 9 4      C-13-H3C(O)CH3
  150913.3812  0.0510 -6.1059 3  532.9357348  595161404433014 3    432914 3      C-13-H3C(O)CH3
  150914.3978  0.0597 -5.7955 3  603.8325744  595161404463115 2    463017 2      C-13-H3C(O)CH3
  150916.7220  0.0117 -7.3017 3  527.8825744  595161404461729 1    452026 1      C-13-H3C(O)CH3
  150916.7261  0.0117 -7.3017 3  527.8825744  595161404461829 1    451926 1      C-13-H3C(O)CH3
  150930.3646  0.0124 -7.2998 3  527.8808744  595161404461729 2    452026 2      C-13-H3C(O)CH3
  150930.3689  0.0124 -7.2998 3  527.8808744  595161404461829 2    451926 2      C-13-H3C(O)CH3
  150934.8692  0.0028 -4.8091 3  248.1072252  595161404311318 4    311219 4      C-13-H3C(O)CH3
  150934.9322  0.0026 -4.8091 3  248.1072252  595161404311318 3    311219 3      C-13-H3C(O)CH3
  150935.3991  0.0028 -4.8091 3  248.1072252  595161404311418 4    311319 4      C-13-H3C(O)CH3
  150935.4648  0.0026 -4.8091 3  248.1072252  595161404311418 3    311319 3      C-13-H3C(O)CH3
  150937.0414  0.0319 -5.2977 3  817.7217872  595161404543421 1    543322 1      C-13-H3C(O)CH3
  150968.8563  0.0025 -4.5077 3  248.1232504  595161404311318 2    311219 2      C-13-H3C(O)CH3
  150969.3942  0.0025 -4.5077 3  248.1232504  595161404311418 2    311319 2      C-13-H3C(O)CH3
  150975.7309  0.0100 -7.3005 3  527.9047744  595161404461729 0    452026 0      C-13-H3C(O)CH3
  150975.7347  0.0100 -7.3005 3  527.9047744  595161404461829 0    451926 0      C-13-H3C(O)CH3
  150978.4234  0.0057 -7.2450 3   30.8565 92  59516140411 6 5 3    11 3 8 3      C-13-H3C(O)CH3
  150978.9399  0.0429 -5.2977 3  817.7213872  595161404543421 2    543322 2      C-13-H3C(O)CH3
  150983.6441  0.0026 -4.5077 3  248.1255504  595161404311318 1    311219 1      C-13-H3C(O)CH3
  150984.0719  0.0076 -4.7463 3  348.5823552  5951614043427 8 1    3426 9 1      C-13-H3C(O)CH3
  150984.1563  0.0026 -4.5077 3  248.1255504  595161404311418 1    311319 1      C-13-H3C(O)CH3
  150986.3209  0.0862 -6.3832 3  679.5204396  595161404493217 4    493119 4      C-13-H3C(O)CH3
  150993.0171  0.0204 -5.2511 3  608.0551380  595161404472621 3    472522 3      C-13-H3C(O)CH3
  150995.0288  0.0207 -5.2510 3  608.0551380  595161404472621 4    472522 4      C-13-H3C(O)CH3
  150999.0950  0.0349 -5.2828 3  812.6798872  595161404543322 0    543223 0      C-13-H3C(O)CH3
  150999.1282  0.0092 -5.0468 3  348.5656276  5951614043427 7 4    3426 8 4      C-13-H3C(O)CH3
  151011.7108  0.0115 -4.8848 3  532.9389696  595161404433013 0    432914 0      C-13-H3C(O)CH3
  151017.5232  0.0023 -4.5074 3  248.1415504  595161404311318 0    311219 0      C-13-H3C(O)CH3
  151018.0410  0.0023 -4.5073 3  248.1415504  595161404311418 0    311319 0      C-13-H3C(O)CH3
  151018.1162  0.0077 -7.2448 3   30.8565 92  59516140411 6 5 4    11 3 8 4      C-13-H3C(O)CH3
  151025.4958  0.0140 -6.3468 3   63.9603124  5951614041511 4 3    1412 3 3      C-13-H3C(O)CH3
  151035.4262  0.0202 -4.9499 3  608.0694760  595161404472621 2    472522 2      C-13-H3C(O)CH3
  151038.1444  0.0077 -4.7459 3  348.6011552  5951614043427 7 2    3426 8 2      C-13-H3C(O)CH3
  151041.6757  0.0084 -5.0468 3  348.5602276  5951614043427 7 3    3426 9 3      C-13-H3C(O)CH3
  151057.0991  0.0074 -6.2116 3   37.8229100  59516140412 7 5 4    11 8 3 4      C-13-H3C(O)CH3
  151059.1307  0.0063 -6.9370 3   30.7971184  59516140411 6 5 2    11 3 8 2      C-13-H3C(O)CH3
  151081.3270  0.0074 -4.7459 3  348.5958552  5951614043427 8 2    3426 9 2      C-13-H3C(O)CH3
  151089.7905  0.0104 -4.9497 3  608.0727760  595161404472621 1    472522 1      C-13-H3C(O)CH3
  151092.9490  0.0041 -5.0998 3   15.7484 68  595161404 8 6 2 4     7 5 3 4      C-13-H3C(O)CH3
  151103.5737  0.0101 -4.9911 3  636.4134776  595161404482821 0    482722 0      C-13-H3C(O)CH3
  151118.1264  0.0078 -4.7456 3  348.5838552  5951614043427 7 1    3426 8 1      C-13-H3C(O)CH3
  151119.9134  0.0084 -4.7939 3  505.7685696  595161404432320 2    432221 2      C-13-H3C(O)CH3
  151123.3349  0.0109 -4.9909 3  636.3988776  595161404482821 2    482722 2      C-13-H3C(O)CH3
  151130.6706  0.0112 -4.9496 3  608.0869760  595161404472621 0    472522 0      C-13-H3C(O)CH3
  151132.8022  0.0108 -4.9908 3  636.4018776  595161404482821 1    482722 1      C-13-H3C(O)CH3
  151134.0642  0.0089 -5.0947 3  505.7479348  595161404432320 3    432221 3      C-13-H3C(O)CH3
  151134.9400  0.0089 -5.0947 3  505.7478348  595161404432320 4    432221 4      C-13-H3C(O)CH3
  151135.3797  0.0100 -7.3468 3   41.8833100  5951614041210 2 4    12 7 6 4      C-13-H3C(O)CH3
  151137.0320  0.0315 -5.2822 3  812.6804872  595161404543322 1    543223 1      C-13-H3C(O)CH3
  151140.3588  0.0295 -5.5998 3  817.7260436  595161404543421 4    543322 4      C-13-H3C(O)CH3
  151145.1077  0.0052 -4.7939 3  505.7928696  595161404432320 0    432221 0      C-13-H3C(O)CH3
  151150.3777  0.0062 -6.9392 3   30.7979184  59516140411 6 5 1    11 3 8 1      C-13-H3C(O)CH3
  151151.3709  0.0112 -5.2916 3  636.3871388  595161404482821 4    482722 4      C-13-H3C(O)CH3
  151152.6703  0.0041 -4.6377 3  389.2778616  595161404381919 2    381820 2      C-13-H3C(O)CH3
  151152.8432  0.0034 -4.6378 3  389.3065616  595161404381919 0    381820 0      C-13-H3C(O)CH3
  151154.5825  0.0302 -5.2821 3  812.6793872  595161404543322 2    543223 2      C-13-H3C(O)CH3
  151155.1037  0.0109 -5.2916 3  636.3872388  595161404482821 3    482722 3      C-13-H3C(O)CH3
  151159.1711  0.0076 -4.7456 3  348.6193552  5951614043427 7 0    3426 8 0      C-13-H3C(O)CH3
  151159.5443  0.0055 -4.7937 3  505.7722696  595161404432320 1    432221 1      C-13-H3C(O)CH3
  151160.1837  0.0076 -4.7456 3  348.6192552  5951614043427 8 0    3426 9 0      C-13-H3C(O)CH3
  151163.1509  0.0088 -5.6607 3  114.2585328  5951614042014 6 1    2011 9 1      C-13-H3C(O)CH3
  151170.5205  0.0167 -6.6821 3   84.1530140  5951614041713 5 4    1710 7 4      C-13-H3C(O)CH3
  151177.7212  0.0044 -4.9385 3  389.2526308  595161404381919 3    381820 3      C-13-H3C(O)CH3
  151177.8029  0.0038 -4.6376 3  389.2813616  595161404381919 1    381820 1      C-13-H3C(O)CH3
  151177.9295  0.0043 -4.9385 3  389.2526308  595161404381919 4    381820 4      C-13-H3C(O)CH3
  151212.0305  0.0059 -6.9323 3   30.7387184  59516140411 6 5 0    11 3 8 0      C-13-H3C(O)CH3
  151212.1299  0.0122 -4.9153 3  532.9390696  595161404433013 1    432914 1      C-13-H3C(O)CH3
  151234.1138  0.0034 -4.6373 3  389.3068616  595161404382019 0    381920 0      C-13-H3C(O)CH3
  151237.1790  0.0040 -4.6372 3  389.2781616  595161404382019 2    381920 2      C-13-H3C(O)CH3
  151249.8471  0.0458 -5.5969 3  817.7272436  595161404543421 3    543322 3      C-13-H3C(O)CH3
  151259.7632  0.0038 -4.6372 3  389.2816616  595161404382019 1    381920 1      C-13-H3C(O)CH3
  151262.9698  0.0042 -4.9381 3  389.2529308  595161404382019 3    381920 3      C-13-H3C(O)CH3
  151262.9958  0.0043 -4.9381 3  389.2529308  595161404382019 4    381920 4      C-13-H3C(O)CH3
  151264.6971  0.0178 -5.2402 3  532.9357348  595161404433013 3    432914 3      C-13-H3C(O)CH3
  151280.0661  0.0190 -5.5826 3  812.6798436  595161404543322 4    543223 4      C-13-H3C(O)CH3
  151281.3798  0.0176 -7.4453 3  704.2257808  595161404503218 1    503120 1      C-13-H3C(O)CH3
  151292.8576  0.0115 -4.8983 3  532.9547696  595161404433013 2    432914 2      C-13-H3C(O)CH3
  151307.3706  0.0240 -5.5823 3  812.6801436  595161404543322 3    543223 3      C-13-H3C(O)CH3
  151308.2044  0.0035 -6.2101 3  116.8450344  595161404211011 0    2013 8 0      C-13-H3C(O)CH3
  151319.9553  0.0058 -6.3953 3   37.7588200  59516140412 7 5 2    11 8 3 2      C-13-H3C(O)CH3
  151335.9155  0.0086 -5.6466 3  114.2503328  5951614042014 6 2    2011 9 2      C-13-H3C(O)CH3
  151343.1614  0.0112 -5.1900 3  532.9608348  595161404433013 4    432914 4      C-13-H3C(O)CH3
  151346.6586  0.0062 -4.8151 3   16.8805 68  595161404 8 7 2 3     7 6 1 3      C-13-H3C(O)CH3
  151362.8272  0.7530 -7.2148 3 1860.7388D20  595161404824933 1    824834 1      C-13-H3C(O)CH3
  151367.5697  0.0070 -5.6039 3  114.2354328  5951614042014 6 0    2011 9 0      C-13-H3C(O)CH3
  151370.7736  0.0038 -6.2119 3  116.8539344  595161404211011 2    2013 8 2      C-13-H3C(O)CH3
  151384.0546  0.8086 -7.5158 3 1860.7425660  595161404824933 4    824834 4      C-13-H3C(O)CH3
  151384.2701  0.0290 -7.1988 3  704.2252808  595161404503218 2    503120 2      C-13-H3C(O)CH3
  151389.0461  0.8141 -7.5158 3 1860.7426660  595161404824933 3    824834 3      C-13-H3C(O)CH3
  151407.7385  0.7582 -7.2149 3 1860.7625D20  595161404824933 0    824834 0      C-13-H3C(O)CH3
  151413.8743  0.0057 -6.3051 3   37.7604200  59516140412 7 5 1    11 8 3 1      C-13-H3C(O)CH3
  151433.5568  0.8230 -7.2149 3 1860.7662D20  595161404824933 2    824834 2      C-13-H3C(O)CH3
  151437.7267  0.0120 -6.0195 3  114.2739164  5951614042014 6 4    2011 9 4      C-13-H3C(O)CH3
  151438.4450  0.0121 -4.9140 3  532.9035696  595161404433014 1    432915 1      C-13-H3C(O)CH3
  151447.9733  0.0037 -6.5150 3  116.8659172  595161404211011 3    2013 8 3      C-13-H3C(O)CH3
  151455.9464  0.0088 -7.2835 3  383.8335316  595161404391524 4    381821 4      C-13-H3C(O)CH3
  151455.9533  0.0088 -7.2835 3  383.8335316  595161404391524 3    381821 3      C-13-H3C(O)CH3
  151456.6897  0.0088 -7.2835 3  383.8334316  595161404391624 4    381721 4      C-13-H3C(O)CH3
  151456.7000  0.0088 -7.2835 3  383.8335316  595161404391624 3    381721 3      C-13-H3C(O)CH3
  151457.1823  0.0039 -6.2135 3  116.8546344  595161404211011 1    2013 8 1      C-13-H3C(O)CH3
  151463.5368  0.0089 -6.9826 3  383.8623632  595161404391524 1    381821 1      C-13-H3C(O)CH3
  151464.2348  0.0089 -6.9826 3  383.8623632  595161404391624 1    381721 1      C-13-H3C(O)CH3
  151492.6616  0.0090 -6.9801 3  383.8594632  595161404391524 2    381821 2      C-13-H3C(O)CH3
  151493.3907  0.0090 -6.9801 3  383.8594632  595161404391624 2    381721 2      C-13-H3C(O)CH3
  151498.7046  0.0276 -5.2264 3  781.0411856  595161404533222 0    533123 0      C-13-H3C(O)CH3
  151500.1315  0.0077 -6.9803 3  383.8881632  595161404391524 0    381821 0      C-13-H3C(O)CH3
  151500.8134  0.0077 -6.9803 3  383.8881632  595161404391624 0    381721 0      C-13-H3C(O)CH3
  151562.1801  0.0112 -4.8818 3  532.9181696  595161404433014 0    432915 0      C-13-H3C(O)CH3
  151580.9939  0.0137 -4.8969 3  532.9057696  595161404433014 2    432915 2      C-13-H3C(O)CH3
  151591.3619  0.0259 -5.2259 3  781.0392856  595161404533222 1    533123 1      C-13-H3C(O)CH3
  151592.3428  0.0039 -6.5175 3  116.8612172  595161404211011 4    2013 8 4      C-13-H3C(O)CH3
  151595.5822  1.2295 -6.7414 3 1608.2044C24  595161404764729 0    764630 0      C-13-H3C(O)CH3
  151602.0498  0.0213 -5.2258 3  781.0377856  595161404533222 2    533123 2      C-13-H3C(O)CH3
  151607.1338  0.0166 -5.1888 3  532.8848348  595161404433014 4    432915 4      C-13-H3C(O)CH3
  151609.5452  0.3902 -5.9577 3 1183.2844A48  595161404654124 0    654025 0      C-13-H3C(O)CH3
  151630.5711  0.0444 -7.5575 3  466.7818648  595161404402912 2    402812 2      C-13-H3C(O)CH3
  151651.2089  0.0023 -4.7512 3   16.8164 68  595161404 8 7 2 4     7 6 2 4      C-13-H3C(O)CH3
  151659.7839  0.0031 -5.5472 3   16.8805 68  595161404 8 7 1 3     7 6 1 3      C-13-H3C(O)CH3
  151673.5756  0.0673 -6.8353 3  581.3560364  595161404453115 4    453015 4      C-13-H3C(O)CH3
  151685.3929  0.0169 -5.2380 3  532.9099348  595161404433014 3    432915 3      C-13-H3C(O)CH3
  151687.9835  0.0142 -5.5264 3  781.0357428  595161404533222 4    533123 4      C-13-H3C(O)CH3
  151704.1995  0.0158 -5.5263 3  781.0359428  595161404533222 3    533123 3      C-13-H3C(O)CH3
  151724.2306  1.4893 -6.7409 3 1608.2070C24  595161404764729 2    764630 2      C-13-H3C(O)CH3
  151744.1268  0.0522 -7.0444 3  704.2240404  595161404503218 4    503120 4      C-13-H3C(O)CH3
  151752.5510  0.0028 -4.4370 3   16.7632136  595161404 8 7 2 0     7 6 1 0      C-13-H3C(O)CH3
  151776.5305  0.0257 -5.4114 3  655.3637388  595161404483217 4    483118 4      C-13-H3C(O)CH3
  151821.4079  0.0840 -6.2184 3  603.8213372  595161404463115 4    463017 4      C-13-H3C(O)CH3
  151859.4884  0.0286 -7.1070 3  466.7631648  595161404402912 1    402812 1      C-13-H3C(O)CH3
  151873.8342  0.0201 -5.1056 3  655.3669776  595161404483217 1    483118 1      C-13-H3C(O)CH3
  151886.3817  0.0229 -5.1137 3  655.3688776  595161404483217 2    483118 2      C-13-H3C(O)CH3
  151917.2747  0.0118 -5.1669 3  267.5638236  5951614042926 3 4    2925 4 4      C-13-H3C(O)CH3
  151937.9788  0.0162 -5.0459 3  655.3660776  595161404483217 0    483118 0      C-13-H3C(O)CH3
  151948.6565  0.0027 -4.4687 3   16.7808136  595161404 8 7 2 1     7 6 2 1      C-13-H3C(O)CH3
  151950.0191  0.0028 -4.7977 3  229.5138244  595161404301218 4    301119 4      C-13-H3C(O)CH3
  151950.1045  0.0024 -4.7977 3  229.5138244  595161404301218 3    301119 3      C-13-H3C(O)CH3
  151950.1703  0.0028 -4.7977 3  229.5138244  595161404301318 4    301219 4      C-13-H3C(O)CH3
  151950.2565  0.0024 -4.7977 3  229.5138244  595161404301318 3    301219 3      C-13-H3C(O)CH3
  151953.9894  0.0427 -5.3350 3  844.8725888  595161404553422 0    553323 0      C-13-H3C(O)CH3
  151967.3880  0.0049 -4.7894 3  505.7967696  595161404432420 0    432321 0      C-13-H3C(O)CH3
  151973.9537  0.0066 -4.7892 3  505.7726696  595161404432420 2    432321 2      C-13-H3C(O)CH3
  151990.1351  0.0029 -4.4738 3   16.7847136  595161404 8 7 2 2     7 6 2 2      C-13-H3C(O)CH3
  151996.4872  0.0053 -4.7892 3  505.7762696  595161404432420 1    432321 1      C-13-H3C(O)CH3
  151997.3161  0.0103 -5.1663 3  267.5445236  5951614042926 4 3    2925 5 3      C-13-H3C(O)CH3
  151999.9229  0.0024 -4.4962 3  229.5262488  595161404301218 2    301119 2      C-13-H3C(O)CH3
  152000.0769  0.0024 -4.4962 3  229.5262488  595161404301318 2    301219 2      C-13-H3C(O)CH3
  152003.0585  0.0070 -5.0900 3  505.7521348  595161404432420 4    432321 4      C-13-H3C(O)CH3
  152003.5455  0.0069 -5.0900 3  505.7521348  595161404432420 3    432321 3      C-13-H3C(O)CH3
  152013.1493  0.0024 -4.4963 3  229.5283488  595161404301218 1    301119 1      C-13-H3C(O)CH3
  152013.2954  0.0024 -4.4963 3  229.5283488  595161404301318 1    301219 1      C-13-H3C(O)CH3
  152029.2288  0.0032 -5.5462 3   16.8577 68  595161404 8 7 2 3     7 6 2 3      C-13-H3C(O)CH3
  152036.7089  0.0551 -6.0994 3  532.9099348  595161404433013 3    432915 3      C-13-H3C(O)CH3
  152038.5653  0.0018 -4.7462 3   16.9218 68  595161404 8 7 1 4     7 6 1 4      C-13-H3C(O)CH3
  152053.4795  0.0025 -4.9464 3   24.5550 84  59516140410 6 5 4     9 5 4 4      C-13-H3C(O)CH3
  152062.8869  0.0023 -4.4958 3  229.5407488  595161404301218 0    301119 0      C-13-H3C(O)CH3
  152063.0350  0.0023 -4.4958 3  229.5407488  595161404301318 0    301219 0      C-13-H3C(O)CH3
  152070.2436  0.0024 -4.4664 3   16.8392136  595161404 8 7 1 1     7 6 1 1      C-13-H3C(O)CH3
  152070.5776  0.0139 -6.6617 3   63.9149248  5951614041511 4 2    1412 3 2      C-13-H3C(O)CH3
  152086.0203  0.0026 -4.4716 3   16.8382136  595161404 8 7 1 2     7 6 1 2      C-13-H3C(O)CH3
  152125.6005  0.0029 -4.9447 3   24.5536 84  59516140410 6 5 3     9 5 4 3      C-13-H3C(O)CH3
  152138.9538  0.0375 -5.3342 3  844.8761888  595161404553422 1    553323 1      C-13-H3C(O)CH3
  152158.9718  0.0106 -5.1658 3  267.5532236  5951614042926 3 3    2925 4 3      C-13-H3C(O)CH3
  152160.5162  0.0101 -4.8650 3  267.5953472  5951614042926 3 1    2925 4 1      C-13-H3C(O)CH3
  152160.7680  0.0422 -5.3342 3  844.8755888  595161404553422 2    553323 2      C-13-H3C(O)CH3
  152160.8360  0.5259 -5.9554 3 1183.2895A48  595161404654124 2    654025 2      C-13-H3C(O)CH3
  152174.0942  0.0095 -4.8650 3  267.6136472  5951614042926 3 2    2925 4 2      C-13-H3C(O)CH3
  152178.6816  0.0088 -5.0622 3  405.3144300  5951614043728 9 3    372710 3      C-13-H3C(O)CH3
  152224.7700  0.0525 -7.0964 3  466.7557324  595161404402912 3    402812 3      C-13-H3C(O)CH3
  152238.0833  0.0112 -5.1652 3  267.5339236  5951614042926 4 4    2925 5 4      C-13-H3C(O)CH3
  152253.4988  0.0083 -4.7610 3  405.3161600  595161404372810 1    372711 1      C-13-H3C(O)CH3
  152253.6888  0.0101 -4.8644 3  267.5942472  5951614042926 4 2    2925 5 2      C-13-H3C(O)CH3
  152255.7333  0.0029 -4.6434 3   24.4939168  59516140410 6 5 1     9 5 4 1      C-13-H3C(O)CH3
  152258.1252  0.0093 -5.0617 3  405.3256300  5951614043728 9 4    372710 4      C-13-H3C(O)CH3
  152270.4837  0.0096 -5.0618 3  405.2944300  595161404372810 4    372711 4      C-13-H3C(O)CH3
  152275.9167  0.0366 -6.0311 3  532.9035696  595161404433013 1    432915 1      C-13-H3C(O)CH3
  152288.8568  0.0081 -4.7608 3  405.3461600  5951614043728 9 2    372710 2      C-13-H3C(O)CH3
  152303.8234  1.1486 -6.7383 3 1608.1893C24  595161404764729 1    764630 1      C-13-H3C(O)CH3
  152319.1751  0.0033 -4.6432 3   24.4910168  59516140410 6 5 2     9 5 4 2      C-13-H3C(O)CH3
  152323.8111  0.0277 -5.6347 3  844.8789444  595161404553422 4    553323 4      C-13-H3C(O)CH3
  152325.0330  0.0255 -5.3626 3  655.3764388  595161404483217 3    483118 3      C-13-H3C(O)CH3
  152331.5234  0.0082 -4.7606 3  405.3273600  5951614043728 9 1    372710 1      C-13-H3C(O)CH3
  152342.3541  0.0060 -4.8119 3   16.8577 68  595161404 8 7 1 3     7 6 2 3      C-13-H3C(O)CH3
  152343.7265  0.3745 -5.9548 3 1183.2860A48  595161404654124 1    654025 1      C-13-H3C(O)CH3
  152350.7041  0.0091 -5.0615 3  405.3057300  595161404372810 3    372711 3      C-13-H3C(O)CH3
  152359.5250  0.0079 -4.7606 3  405.3477600  5951614043728 9 0    372710 0      C-13-H3C(O)CH3
  152369.0415  0.0375 -5.6342 3  844.8794444  595161404553422 3    553323 3      C-13-H3C(O)CH3
  152370.3470  0.0079 -4.7606 3  405.3473600  595161404372810 0    372711 0      C-13-H3C(O)CH3
  152382.4883  0.0082 -4.7605 3  405.3261600  595161404372810 2    372711 2      C-13-H3C(O)CH3
  152401.9533  0.0100 -4.8639 3  267.5845472  5951614042926 4 1    2925 5 1      C-13-H3C(O)CH3
  152419.2319  0.0101 -4.8641 3  267.6449472  5951614042926 3 0    2925 4 0      C-13-H3C(O)CH3
  152419.2328  0.0101 -4.8641 3  267.6449472  5951614042926 4 0    2925 5 0      C-13-H3C(O)CH3
  152429.9203  1.2771 -7.0388 3 1608.1919612  595161404764729 4    764630 4      C-13-H3C(O)CH3
  152432.9123  1.2539 -7.0389 3 1608.1920612  595161404764729 3    764630 3      C-13-H3C(O)CH3
  152435.8557  0.0135 -6.7448 3   63.9045248  5951614041511 4 1    1412 3 1      C-13-H3C(O)CH3
  152455.2104  0.0100 -5.1132 3  466.7557324  595161404402911 3    402812 3      C-13-H3C(O)CH3
  152466.3969  0.0091 -4.8079 3  466.7703648  595161404402911 0    402812 0      C-13-H3C(O)CH3
  152477.7776  0.0101 -4.8099 3  466.7425648  595161404402912 1    402813 1      C-13-H3C(O)CH3
  152482.6006  0.0093 -5.1089 3  466.7759324  595161404402911 4    402812 4      C-13-H3C(O)CH3
  152484.3623  0.0031 -4.6420 3   24.4309168  59516140410 6 5 0     9 5 4 0      C-13-H3C(O)CH3
  152491.7296  0.0091 -4.8098 3  466.7631648  595161404402911 1    402812 1      C-13-H3C(O)CH3
  152493.9700  0.0089 -4.8084 3  466.7818648  595161404402911 2    402812 2      C-13-H3C(O)CH3
  152506.8653  0.0526 -6.1630 3  581.3432728  595161404453115 2    453015 2      C-13-H3C(O)CH3
  152539.6287  0.0216 -7.5027 3  674.8632396  595161404493118 4    493020 4      C-13-H3C(O)CH3
  152551.7624  0.4601 -6.4239 3 1280.9139548  595161404684028 3    683929 3      C-13-H3C(O)CH3
  152552.5838  0.4580 -6.4239 3 1280.9139548  595161404684028 4    683929 4      C-13-H3C(O)CH3
  152553.6241  0.0091 -4.8075 3  466.7671648  595161404402912 0    402813 0      C-13-H3C(O)CH3
  152594.4865  0.0118 -5.1085 3  466.7222324  595161404402912 4    402813 4      C-13-H3C(O)CH3
  152622.2361  0.0108 -5.1125 3  466.7424324  595161404402912 3    402813 3      C-13-H3C(O)CH3
  152632.4915  0.0101 -4.8079 3  466.7484648  595161404402912 2    402813 2      C-13-H3C(O)CH3
  152632.8614  0.0128 -6.4019 3   84.1232280  5951614041713 5 1    1710 7 1      C-13-H3C(O)CH3
  152639.4274  0.0305 -5.2505 3  791.0107856  595161404533420 0    533321 0      C-13-H3C(O)CH3
  152651.8142  0.0026 -4.4341 3   16.7417136  595161404 8 7 1 0     7 6 2 0      C-13-H3C(O)CH3
  152745.2831  0.0364 -5.9322 3  581.3294728  595161404453115 1    453015 1      C-13-H3C(O)CH3
  152762.2684  0.0566 -6.3455 3  532.9057696  595161404433013 2    432915 2      C-13-H3C(O)CH3
  152822.2200  0.3557 -6.1218 3 1280.9088A96  595161404684028 1    683929 1      C-13-H3C(O)CH3
  152831.9060  0.0260 -5.2531 3  791.0181856  595161404533420 1    533321 1      C-13-H3C(O)CH3
  152851.5460  0.0028 -4.7909 3  211.5013236  595161404291118 4    291019 4      C-13-H3C(O)CH3
  152851.5863  0.0028 -4.7909 3  211.5013236  595161404291218 4    291119 4      C-13-H3C(O)CH3
  152851.6453  0.0024 -4.7909 3  211.5013236  595161404291118 3    291019 3      C-13-H3C(O)CH3
  152851.6859  0.0024 -4.7909 3  211.5013236  595161404291218 3    291119 3      C-13-H3C(O)CH3
  152852.6766  0.0544 -7.0925 3  466.7424324  595161404402911 3    402813 3      C-13-H3C(O)CH3
  152871.9948  0.4619 -6.2530 3 1183.2910524  595161404654124 3    654025 3      C-13-H3C(O)CH3
  152878.9431  0.0349 -5.2548 3  791.0184856  595161404533420 2    533321 2      C-13-H3C(O)CH3
  152890.0001  0.0080 -6.9901 3   47.9059108  5951614041310 4 4    13 7 7 4      C-13-H3C(O)CH3
  152909.7981  0.5144 -6.2542 3 1183.2918524  595161404654124 4    654025 4      C-13-H3C(O)CH3
  152918.7408  0.0024 -4.4893 3  211.5094472  595161404291118 2    291019 2      C-13-H3C(O)CH3
  152918.7821  0.0024 -4.4893 3  211.5094472  595161404291218 2    291119 2      C-13-H3C(O)CH3
  152930.5305  0.0024 -4.4893 3  211.5112472  595161404291118 1    291019 1      C-13-H3C(O)CH3
  152930.5695  0.0024 -4.4893 3  211.5112472  595161404291218 1    291119 1      C-13-H3C(O)CH3
  152945.6063  0.0289 -5.5656 3  791.0244428  595161404533420 4    533321 4      C-13-H3C(O)CH3
  152973.9636  0.4873 -6.1212 3 1280.9182A96  595161404684028 2    683929 2      C-13-H3C(O)CH3
  152981.9476  0.0131 -6.6211 3  101.1810296  5951614041816 3 0    1717 0 0      C-13-H3C(O)CH3
  152982.1242  0.0131 -6.6211 3  101.1810296  5951614041816 2 0    1717 1 0      C-13-H3C(O)CH3
  152997.5071  0.0022 -4.4887 3  211.5192472  595161404291118 0    291019 0      C-13-H3C(O)CH3
  152997.5467  0.0022 -4.4887 3  211.5192472  595161404291218 0    291119 0      C-13-H3C(O)CH3
  153012.2040  0.0065 -6.6779 3  262.1966520  595161404321319 1    311616 1      C-13-H3C(O)CH3
  153027.9013  0.0067 -6.9793 3  262.1745260  595161404321319 4    311616 4      C-13-H3C(O)CH3
  153028.1274  0.0064 -6.9793 3  262.1745260  595161404321319 3    311616 3      C-13-H3C(O)CH3
  153039.4513  0.0085 -5.0594 3  332.3220268  5951614043327 7 3    3326 7 3      C-13-H3C(O)CH3
  153047.2613  0.0057 -6.6745 3  262.2144520  595161404321319 0    311616 0      C-13-H3C(O)CH3
  153049.9774  0.0093 -5.0584 3  332.3221268  5951614043327 7 4    3326 7 4      C-13-H3C(O)CH3
  153050.8010  0.0129 -7.1126 3   84.1516140  5951614041713 5 3    1710 7 3      C-13-H3C(O)CH3
  153063.3137  0.0065 -6.6749 3  262.1923520  595161404321319 2    311616 2      C-13-H3C(O)CH3
  153063.5158  0.0037 -4.6036 3  366.6358600  595161404371819 2    371720 2      C-13-H3C(O)CH3
  153065.2691  0.0032 -4.6036 3  366.6644600  595161404371819 0    371720 0      C-13-H3C(O)CH3
  153083.6216  0.0039 -4.9045 3  366.6104300  595161404371819 3    371720 3      C-13-H3C(O)CH3
  153083.7336  0.0039 -4.9045 3  366.6104300  595161404371819 4    371720 4      C-13-H3C(O)CH3
  153085.2891  0.0036 -4.6036 3  366.6391600  595161404371819 1    371720 1      C-13-H3C(O)CH3
  153095.5145  0.0037 -4.6034 3  366.6359600  595161404371919 2    371820 2      C-13-H3C(O)CH3
  153095.9831  0.0032 -4.6035 3  366.6645600  595161404371919 0    371820 0      C-13-H3C(O)CH3
  153102.4515  0.0066 -6.6773 3  262.1936520  595161404321419 1    311516 1      C-13-H3C(O)CH3
  153110.0188  0.0309 -7.1000 3  466.7425648  595161404402911 1    402813 1      C-13-H3C(O)CH3
  153115.8541  0.0039 -4.9043 3  366.6105300  595161404371919 3    371820 3      C-13-H3C(O)CH3
  153115.8860  0.0039 -4.9043 3  366.6105300  595161404371919 4    371820 4      C-13-H3C(O)CH3
  153116.2179  0.0035 -4.6034 3  366.6391600  595161404371919 1    371820 1      C-13-H3C(O)CH3
  153119.7691  0.0067 -6.9787 3  262.1715260  595161404321419 4    311516 4      C-13-H3C(O)CH3
  153120.2483  0.0064 -6.9787 3  262.1714260  595161404321419 3    311516 3      C-13-H3C(O)CH3
  153138.8227  0.0057 -6.6740 3  262.2113520  595161404321419 0    311516 0      C-13-H3C(O)CH3
  153152.8730  0.0214 -5.1668 3  749.9452840  595161404523122 0    523023 0      C-13-H3C(O)CH3
  153156.7246  0.0065 -6.6743 3  262.1892520  595161404321419 2    311516 2      C-13-H3C(O)CH3
  153159.7466  0.0431 -6.7490 3  655.3764388  595161404483216 3    483118 3      C-13-H3C(O)CH3
  153172.5175  0.0130 -6.4109 3   84.1150280  5951614041713 5 2    1710 7 2      C-13-H3C(O)CH3
  153173.1546  0.0141 -7.4333 3   43.7439200  5951614041211 2 1    12 8 4 1      C-13-H3C(O)CH3
  153173.7375  0.0079 -4.7569 3  332.3475536  5951614043327 7 1    3326 7 1      C-13-H3C(O)CH3
  153201.2494  0.0402 -5.9337 3  655.3669776  595161404483216 1    483118 1      C-13-H3C(O)CH3
  153204.2425  0.0097 -5.0574 3  332.3219268  5951614043327 6 4    3326 8 4      C-13-H3C(O)CH3
  153205.0750  0.0117 -6.6188 3  101.2000296  5951614041816 2 2    1717 0 2      C-13-H3C(O)CH3
  153207.5606  0.0456 -5.5494 3  791.0273428  595161404533420 3    533321 3      C-13-H3C(O)CH3
  153208.8949  0.0210 -5.1665 3  749.9411840  595161404523122 1    523023 1      C-13-H3C(O)CH3
  153211.6336  0.0168 -5.1664 3  749.9394840  595161404523122 2    523023 2      C-13-H3C(O)CH3
  153215.9069  0.0087 -5.0588 3  332.3220268  5951614043327 6 3    3326 8 3      C-13-H3C(O)CH3
  153233.7729  0.0080 -4.7566 3  332.3630536  5951614043327 7 2    3326 8 2      C-13-H3C(O)CH3
  153245.6096  0.0076 -4.7568 3  332.3631536  5951614043327 6 2    3326 7 2      C-13-H3C(O)CH3
  153245.8136  0.3705 -6.1201 3 1280.9130A96  595161404684028 0    683929 0      C-13-H3C(O)CH3
  153248.5512  0.0133 -5.2526 3  253.8820228  5951614042826 2 4    2825 3 4      C-13-H3C(O)CH3
  153264.2129  0.0140 -5.4671 3  749.9353420  595161404523122 4    523023 4      C-13-H3C(O)CH3
  153273.6860  0.0139 -5.4671 3  749.9354420  595161404523122 3    523023 3      C-13-H3C(O)CH3
  153338.4018  0.0081 -4.7561 3  332.3473536  5951614043327 6 1    3326 8 1      C-13-H3C(O)CH3
  153348.4343  0.0126 -6.6181 3  101.1849296  5951614041816 2 1    1717 0 1      C-13-H3C(O)CH3
  153364.7953  0.0116 -5.2519 3  253.8588228  5951614042826 3 3    2825 4 3      C-13-H3C(O)CH3
  153367.2079  0.0132 -6.6188 3  101.1091296  5951614041816 3 1    1717 1 1      C-13-H3C(O)CH3
  153370.1055  0.0079 -4.7562 3  332.3883536  5951614043327 6 0    3326 7 0      C-13-H3C(O)CH3
  153370.2705  0.0079 -4.7562 3  332.3883536  5951614043327 7 0    3326 8 0      C-13-H3C(O)CH3
  153385.6966  0.0508 -6.0708 3  581.3300364  595161404453115 3    453015 3      C-13-H3C(O)CH3
  153408.8633  0.0139 -4.9410 3  581.3245728  595161404453114 0    453015 0      C-13-H3C(O)CH3
  153428.2329  0.0133 -6.6178 3  101.1200296  5951614041816 3 2    1717 1 2      C-13-H3C(O)CH3
  153429.1198  0.0123 -6.4252 3   84.1516140  5951614041713 4 3    1710 7 3      C-13-H3C(O)CH3
  153495.8904  0.0481 -7.5468 3  466.7484648  595161404402911 2    402813 2      C-13-H3C(O)CH3
  153515.4261  0.0109 -4.9507 3  253.9360456  5951614042826 2 2    2825 3 2      C-13-H3C(O)CH3
  153516.4742  0.0118 -5.2514 3  253.8708228  5951614042826 2 3    2825 3 3      C-13-H3C(O)CH3
  153527.0095  0.0118 -4.9506 3  253.9172456  5951614042826 2 1    2825 3 1      C-13-H3C(O)CH3
  153554.6946  0.0684 -5.8809 3  655.3688776  595161404483216 2    483118 2      C-13-H3C(O)CH3
  153563.3396  0.0151 -7.4265 3   43.7408200  5951614041211 2 2    12 8 4 2      C-13-H3C(O)CH3
  153571.6932  0.0152 -6.9169 3  101.2039148  5951614041816 2 4    1717 0 4      C-13-H3C(O)CH3
  153588.5512  0.0139 -6.9176 3  101.1281148  5951614041816 3 3    1717 0 3      C-13-H3C(O)CH3
  153622.6255  0.0694 -7.0293 3  532.8848348  595161404433013 4    432915 4      C-13-H3C(O)CH3
  153631.6599  0.0115 -4.9500 3  253.9127456  5951614042826 3 2    2825 4 2      C-13-H3C(O)CH3
  153631.9989  0.0123 -5.2507 3  253.8477228  5951614042826 3 4    2825 4 4      C-13-H3C(O)CH3
  153651.6405  0.0029 -4.7890 3  194.0718228  595161404281018 4    28 919 4      C-13-H3C(O)CH3
  153651.6505  0.0029 -4.7890 3  194.0718228  595161404281118 4    281019 4      C-13-H3C(O)CH3
  153651.7450  0.0024 -4.7890 3  194.0718228  595161404281018 3    28 919 3      C-13-H3C(O)CH3
  153651.7550  0.0024 -4.7890 3  194.0718228  595161404281118 3    281019 3      C-13-H3C(O)CH3
  153690.6261  0.0103 -5.5334 3   16.7847136  595161404 8 7 1 2     7 6 2 2      C-13-H3C(O)CH3
  153693.2777  0.0161 -4.9866 3  581.3294728  595161404453114 1    453015 1      C-13-H3C(O)CH3
  153737.4036  0.0023 -4.4873 3  194.0748456  595161404281018 2    28 919 2      C-13-H3C(O)CH3
  153737.4139  0.0023 -4.4873 3  194.0748456  595161404281118 2    281019 2      C-13-H3C(O)CH3
  153742.4069  0.8989 -7.2530 3 1727.2268636  595161404794732 4    794633 4      C-13-H3C(O)CH3
  153745.8042  0.9012 -7.2530 3 1727.2268636  595161404794732 3    794633 3      C-13-H3C(O)CH3
  153747.8465  0.0023 -4.4874 3  194.0763456  595161404281018 1    28 919 1      C-13-H3C(O)CH3
  153747.8561  0.0023 -4.4874 3  194.0763456  595161404281118 1    281019 1      C-13-H3C(O)CH3
  153749.9933  0.7430 -6.9519 3 1727.2235C72  595161404794732 1    794633 1      C-13-H3C(O)CH3
  153761.2547  0.0264 -5.3100 3  581.3300364  595161404453114 3    453015 3      C-13-H3C(O)CH3
  153792.7798  0.0134 -6.9159 3  101.1239148  5951614041816 2 3    1717 1 3      C-13-H3C(O)CH3
  153795.1740  0.0114 -4.9494 3  253.9059456  5951614042826 3 1    2825 4 1      C-13-H3C(O)CH3
  153796.1733  0.0116 -4.9498 3  253.9711456  5951614042826 3 0    2825 4 0      C-13-H3C(O)CH3
  153796.1733  0.0116 -4.9498 3  253.9711456  5951614042826 2 0    2825 3 0      C-13-H3C(O)CH3
  153807.8221  0.0155 -4.9661 3  581.3432728  595161404453114 2    453015 2      C-13-H3C(O)CH3
  153808.5620  0.0138 -6.9166 3  101.0482148  5951614041816 3 4    1717 1 4      C-13-H3C(O)CH3
  153809.9393  0.0772 -6.6393 3  631.8872380  595161404473216 4    473116 4      C-13-H3C(O)CH3
  153819.1872  0.0089 -5.6043 3   16.7808136  595161404 8 7 1 1     7 6 2 1      C-13-H3C(O)CH3
  153833.3451  0.0022 -4.4866 3  194.0794456  595161404281018 0    28 919 0      C-13-H3C(O)CH3
  153833.3550  0.0022 -4.4866 3  194.0794456  595161404281118 0    281019 0      C-13-H3C(O)CH3
  153891.7270  0.0297 -6.9416 3  734.2070824  595161404513318 1    513220 1      C-13-H3C(O)CH3
  153911.4891  0.0352 -5.3691 3  689.3143404  595161404502822 3    502723 3      C-13-H3C(O)CH3
  153911.9137  0.0147 -5.2508 3  581.3560364  595161404453114 4    453015 4      C-13-H3C(O)CH3
  153913.9833  0.0355 -5.3691 3  689.3144404  595161404502822 4    502723 4      C-13-H3C(O)CH3
  153931.8323  0.9276 -6.9515 3 1727.2461C72  595161404794732 2    794633 2      C-13-H3C(O)CH3
  153937.3458  0.7519 -6.9515 3 1727.2428C72  595161404794732 0    794633 0      C-13-H3C(O)CH3
  153955.3113  0.0080 -4.9344 3  608.1035760  595161404472721 0    472622 0      C-13-H3C(O)CH3
  153962.7774  0.0103 -4.9342 3  608.0867760  595161404472721 2    472622 2      C-13-H3C(O)CH3
  153978.2951  0.0088 -4.9342 3  608.0898760  595161404472721 1    472622 1      C-13-H3C(O)CH3
  153985.2690  0.0108 -5.2350 3  608.0730380  595161404472721 4    472622 4      C-13-H3C(O)CH3
  153987.2197  0.0106 -5.2350 3  608.0730380  595161404472721 3    472622 3      C-13-H3C(O)CH3
  154008.2952  0.0356 -5.0677 3  689.3235808  595161404502822 2    502723 2      C-13-H3C(O)CH3
  154051.6748  0.0563 -6.7322 3  734.2075824  595161404513318 2    513220 2      C-13-H3C(O)CH3
  154059.8389  0.0191 -5.0675 3  689.3260808  595161404502822 1    502723 1      C-13-H3C(O)CH3
  154059.9671  0.0014 -4.6683 3   32.9362100  59516140412 4 8 3    11 5 7 3      C-13-H3C(O)CH3
  154060.8337  0.0014 -4.6683 3   32.9362100  59516140412 4 8 4    11 5 7 4      C-13-H3C(O)CH3
  154124.5607  0.0016 -4.3671 3   32.8809200  59516140412 4 8 1    11 5 7 1      C-13-H3C(O)CH3
  154124.9403  0.0016 -4.3674 3   32.8799200  59516140412 4 8 2    11 5 7 2      C-13-H3C(O)CH3
  154125.1369  0.0065 -4.7447 3  480.2735680  595161404422220 2    422121 2      C-13-H3C(O)CH3
  154132.5836  0.0045 -4.7448 3  480.2992680  595161404422220 0    422121 0      C-13-H3C(O)CH3
  154147.3641  0.0074 -6.6509 3   47.8609216  5951614041310 4 1    13 7 7 1      C-13-H3C(O)CH3
  154148.7472  0.0069 -5.0455 3  480.2513340  595161404422220 3    422121 3      C-13-H3C(O)CH3
  154149.2455  0.0069 -5.0455 3  480.2513340  595161404422220 4    422121 4      C-13-H3C(O)CH3
  154154.0946  0.0208 -5.0672 3  689.3351808  595161404502822 0    502723 0      C-13-H3C(O)CH3
  154156.2531  0.0048 -4.7446 3  480.2770680  595161404422220 1    422121 1      C-13-H3C(O)CH3
  154157.7799  0.0141 -4.9841 3  581.2823728  595161404453115 1    453016 1      C-13-H3C(O)CH3
  154188.9584  0.0016 -4.3672 3   32.8247200  59516140412 4 8 0    11 5 7 0      C-13-H3C(O)CH3
  154206.0989  0.0014 -4.6673 3   32.9322100  59516140412 5 8 4    11 4 7 4      C-13-H3C(O)CH3
  154207.1293  0.0014 -4.6673 3   32.9321100  59516140412 5 8 3    11 4 7 3      C-13-H3C(O)CH3
  154230.2176  0.0304 -5.4849 3  709.0373404  595161404503318 4    503219 4      C-13-H3C(O)CH3
  154238.5227  0.0099 -6.0775 3   86.6805280  5951614041714 4 0    1615 1 0      C-13-H3C(O)CH3
  154252.8437  0.0099 -6.0774 3   86.6805280  5951614041714 3 0    1615 2 0      C-13-H3C(O)CH3
  154273.4346  0.0016 -4.3661 3   32.8767200  59516140412 5 8 1    11 4 7 1      C-13-H3C(O)CH3
  154274.7498  0.0170 -4.9637 3  581.2842728  595161404453115 2    453016 2      C-13-H3C(O)CH3
  154276.8933  0.0016 -4.3663 3   32.8757200  59516140412 5 8 2    11 4 7 2      C-13-H3C(O)CH3
  154288.9839  0.0134 -4.9362 3  581.2909728  595161404453115 0    453016 0      C-13-H3C(O)CH3
  154320.5722  0.0201 -5.1182 3  709.0294808  595161404503318 0    503219 0      C-13-H3C(O)CH3
  154322.8889  0.0209 -5.2488 3  581.2676364  595161404453115 4    453016 4      C-13-H3C(O)CH3
  154332.5133  0.0232 -5.1576 3  709.0348808  595161404503318 1    503219 1      C-13-H3C(O)CH3
  154343.5684  0.0016 -4.3661 3   32.8204200  59516140412 5 8 0    11 4 7 0      C-13-H3C(O)CH3
  154344.6924  0.0261 -5.1697 3  709.0365808  595161404503318 2    503219 2      C-13-H3C(O)CH3
  154360.7738  0.0031 -4.7928 3  177.2273220  59516140427 918 4    27 819 4      C-13-H3C(O)CH3
  154360.7761  0.0031 -4.7928 3  177.2273220  595161404271018 4    27 919 4      C-13-H3C(O)CH3
  154360.8740  0.0025 -4.7928 3  177.2273220  59516140427 918 3    27 819 3      C-13-H3C(O)CH3
  154360.8763  0.0025 -4.7928 3  177.2273220  595161404271018 3    27 919 3      C-13-H3C(O)CH3
  154369.5778  0.0092 -6.0759 3   86.7162280  5951614041714 3 2    1615 1 2      C-13-H3C(O)CH3
  154395.2012  0.0083 -6.6428 3   47.8593216  5951614041310 4 2    13 7 7 2      C-13-H3C(O)CH3
  154404.6363  0.0088 -6.4677 3  104.2533164  595161404201011 4    1911 8 4      C-13-H3C(O)CH3
  154421.9515  0.0150 -5.3910 3  240.7101220  5951614042726 1 4    2725 2 4      C-13-H3C(O)CH3
  154437.7214  0.0063 -6.4677 3  104.2522164  595161404201011 3    1911 8 3      C-13-H3C(O)CH3
  154466.2769  0.0023 -4.4909 3  177.2246440  59516140427 918 2    27 819 2      C-13-H3C(O)CH3
  154466.2793  0.0023 -4.4909 3  177.2246440  595161404271018 2    27 919 2      C-13-H3C(O)CH3
  154467.5574  0.0999 -6.2022 3  655.3637388  595161404483216 4    483118 4      C-13-H3C(O)CH3
  154468.4742  0.0077 -5.8245 3  124.5190172  5951614042114 7 3    211110 3      C-13-H3C(O)CH3
  154473.3656  0.0231 -5.3062 3  581.2937364  595161404453115 3    453016 3      C-13-H3C(O)CH3
  154475.4391  0.0023 -4.4910 3  177.2259440  59516140427 918 1    27 819 1      C-13-H3C(O)CH3
  154475.4413  0.0023 -4.4910 3  177.2259440  595161404271018 1    27 919 1      C-13-H3C(O)CH3
  154488.6968  0.0044 -4.7429 3  480.3007680  595161404422320 0    422221 0      C-13-H3C(O)CH3
  154496.0323  0.0058 -4.7427 3  480.2751680  595161404422320 2    422221 2      C-13-H3C(O)CH3
  154509.8413  0.2838 -5.8191 3 1113.3873A16  595161404634023 0    633924 0      C-13-H3C(O)CH3
  154518.6644  0.0048 -4.7426 3  480.2786680  595161404422320 1    422221 1      C-13-H3C(O)CH3
  154519.7769  0.0500 -5.3825 3  877.6357904  595161404563522 0    563423 0      C-13-H3C(O)CH3
  154526.1264  0.0062 -5.0435 3  480.2529340  595161404422320 4    422221 4      C-13-H3C(O)CH3
  154526.2981  0.0061 -5.0435 3  480.2530340  595161404422320 3    422221 3      C-13-H3C(O)CH3
  154539.6833  0.0050 -6.7907 3   47.9060108  5951614041310 4 3    13 7 7 3      C-13-H3C(O)CH3
  154540.2662  0.0063 -6.1635 3  104.2325328  595161404201011 1    1911 8 1      C-13-H3C(O)CH3
  154543.1047  0.0185 -7.4819 3   63.8871124  5951614041511 4 4    1412 3 4      C-13-H3C(O)CH3
  154546.7470  0.0099 -6.0748 3   86.7056280  5951614041714 3 1    1615 1 1      C-13-H3C(O)CH3
  154574.8734  0.0131 -5.3902 3  240.6837220  5951614042726 2 3    2725 3 3      C-13-H3C(O)CH3
  154580.6379  0.0022 -4.4901 3  177.2232440  59516140427 918 0    27 819 0      C-13-H3C(O)CH3
  154580.6401  0.0022 -4.4901 3  177.2232440  595161404271018 0    27 919 0      C-13-H3C(O)CH3
  154614.3813  0.0066 -5.0841 3   37.5992200  59516140412 7 5 0    11 8 4 0      C-13-H3C(O)CH3
  154618.5428  0.0488 -7.2793 3  512.0128680  595161404423013 2    422913 2      C-13-H3C(O)CH3
  154628.8336  0.0947 -6.6507 3  734.2101412  595161404513318 4    513220 4      C-13-H3C(O)CH3
  154633.1242  0.0560 -6.0218 3  631.8694760  595161404473216 2    473116 2      C-13-H3C(O)CH3
  154656.9627  0.0056 -5.5267 3  124.5091344  5951614042114 7 1    211110 1      C-13-H3C(O)CH3
  154672.1206  0.0126 -6.3743 3   86.7413140  5951614041714 3 4    1615 1 4      C-13-H3C(O)CH3
  154674.2931  0.0098 -6.0742 3   86.6369280  5951614041714 4 2    1615 2 2      C-13-H3C(O)CH3
  154687.5561  0.0100 -6.0747 3   86.6246280  5951614041714 4 1    1615 2 1      C-13-H3C(O)CH3
  154696.5051  0.0126 -5.0891 3  240.7682440  5951614042726 1 2    2725 2 2      C-13-H3C(O)CH3
  154706.4422  0.0048 -5.8405 3  124.5195172  5951614042114 7 4    211110 4      C-13-H3C(O)CH3
  154711.0291  0.0059 -5.5235 3  124.5029344  5951614042114 7 2    211110 2      C-13-H3C(O)CH3
  154714.6190  0.0133 -5.3897 3  240.6988220  5951614042726 1 3    2725 2 3      C-13-H3C(O)CH3
  154732.7852  0.0137 -5.0889 3  240.7495440  5951614042726 1 1    2725 2 1      C-13-H3C(O)CH3
  154733.6586  0.0109 -6.0456 3   84.0861280  5951614041713 4 0    1710 7 0      C-13-H3C(O)CH3
  154744.2957  0.0431 -5.3818 3  877.6430904  595161404563522 1    563423 1      C-13-H3C(O)CH3
  154744.5573  0.0063 -6.1580 3  104.2231328  595161404201011 2    1911 8 2      C-13-H3C(O)CH3
  154746.5768  0.0034 -4.5731 3  344.5591584  595161404361719 2    361620 2      C-13-H3C(O)CH3
  154752.9892  0.0030 -4.5731 3  344.5871584  595161404361719 0    361620 0      C-13-H3C(O)CH3
  154758.1145  0.0034 -4.5730 3  344.5592584  595161404361819 2    361720 2      C-13-H3C(O)CH3
  154759.5140  0.0036 -4.8740 3  344.5341292  595161404361719 3    361620 3      C-13-H3C(O)CH3
  154759.5619  0.0036 -4.8740 3  344.5341292  595161404361719 4    361620 4      C-13-H3C(O)CH3
  154764.0434  0.0030 -4.5730 3  344.5872584  595161404361819 0    361720 0      C-13-H3C(O)CH3
  154765.8584  0.0033 -4.5730 3  344.5621584  595161404361719 1    361620 1      C-13-H3C(O)CH3
  154766.9391  0.0544 -5.3817 3  877.6427904  595161404563522 2    563423 2      C-13-H3C(O)CH3
  154771.1169  0.0035 -4.8740 3  344.5341292  595161404361819 3    361720 3      C-13-H3C(O)CH3
  154771.1311  0.0036 -4.8740 3  344.5341292  595161404361819 4    361720 4      C-13-H3C(O)CH3
  154776.0304  0.0043 -5.5181 3  124.4928344  5951614042114 7 0    211110 0      C-13-H3C(O)CH3
  154776.9709  0.0033 -4.5730 3  344.5622584  595161404361819 1    361720 1      C-13-H3C(O)CH3
  154785.9207  0.0299 -5.4241 3  709.0469404  595161404503318 3    503219 3      C-13-H3C(O)CH3
  154809.4607  0.0129 -6.2925 3   84.1232280  5951614041713 4 1    1710 7 1      C-13-H3C(O)CH3
  154811.5157  0.0110 -6.3747 3   86.6601140  5951614041714 4 3    1615 2 3      C-13-H3C(O)CH3
  154830.1931  0.0409 -5.8778 3  631.8582760  595161404473216 1    473116 1      C-13-H3C(O)CH3
  154848.9237  0.0572 -6.0626 3  581.2937364  595161404453114 3    453016 3      C-13-H3C(O)CH3
  154849.8534  0.0131 -5.0882 3  240.7417440  5951614042726 2 2    2725 3 2      C-13-H3C(O)CH3
  154860.6196  0.0061 -6.1549 3  104.2030328  595161404201011 0    1911 8 0      C-13-H3C(O)CH3
  154862.4359  0.0325 -6.8974 3  511.9947680  595161404423013 1    422913 1      C-13-H3C(O)CH3
  154867.1122  0.0137 -5.3889 3  240.6724220  5951614042726 2 4    2725 3 4      C-13-H3C(O)CH3
  154873.6046  0.0086 -5.0554 3  387.5324292  5951614043628 9 3    3627 9 3      C-13-H3C(O)CH3
  154899.1454  0.0072 -5.1030 3   37.6394200  59516140412 7 5 2    11 8 4 2      C-13-H3C(O)CH3
  154904.6533  0.0138 -7.4144 3  597.5272792  595161404491831 1    482128 1      C-13-H3C(O)CH3
  154904.6540  0.0138 -7.4144 3  597.5272792  595161404491931 1    482028 1      C-13-H3C(O)CH3
  154913.4553  0.0150 -7.4126 3  597.5260792  595161404491831 2    482128 2      C-13-H3C(O)CH3
  154913.4559  0.0150 -7.4126 3  597.5260792  595161404491931 2    482028 2      C-13-H3C(O)CH3
  154936.8816  0.0101 -5.0803 3  316.6175260  5951614043227 6 4    3226 6 4      C-13-H3C(O)CH3
  154939.8618  0.0093 -5.0552 3  387.5181292  5951614043628 9 4    362710 4      C-13-H3C(O)CH3
  154945.8700  0.0166 -7.4466 3   73.5561264  5951614041612 5 1    1513 2 1      C-13-H3C(O)CH3
  154954.7790  0.0368 -5.6828 3  877.6497452  595161404563522 4    563423 4      C-13-H3C(O)CH3
  154960.4776  0.0091 -5.0800 3  316.6124260  5951614043227 6 3    3226 7 3      C-13-H3C(O)CH3
  154971.1145  0.0112 -7.4136 3  597.5450792  595161404491831 0    482128 0      C-13-H3C(O)CH3
  154971.1151  0.0112 -7.4136 3  597.5450792  595161404491931 0    482028 0      C-13-H3C(O)CH3
  154973.0647  0.0080 -4.7542 3  387.5404584  5951614043628 9 1    362710 1      C-13-H3C(O)CH3
  154976.0174  0.0105 -6.3731 3   86.6619140  5951614041714 3 3    1615 1 3      C-13-H3C(O)CH3
  154982.9007  0.0098 -5.0548 3  387.5414292  5951614043628 8 4    3627 9 4      C-13-H3C(O)CH3
  154984.8903  0.0057 -5.3774 3   37.6903100  59516140412 7 5 3    11 8 4 3      C-13-H3C(O)CH3
  154988.0758  0.0033 -4.8032 3  160.9697212  59516140426 818 4    26 719 4      C-13-H3C(O)CH3
  154988.0763  0.0033 -4.8032 3  160.9697212  59516140426 918 4    26 819 4      C-13-H3C(O)CH3
  154988.1613  0.0026 -4.8032 3  160.9697212  59516140426 818 3    26 719 3      C-13-H3C(O)CH3
  154988.1618  0.0026 -4.8032 3  160.9697212  59516140426 918 3    26 819 3      C-13-H3C(O)CH3
  155009.9623  0.0135 -5.0880 3  240.8076440  5951614042726 2 0    2725 3 0      C-13-H3C(O)CH3
  155009.9623  0.0135 -5.0880 3  240.8076440  5951614042726 1 0    2725 2 0      C-13-H3C(O)CH3
  155010.1881  0.0081 -4.7540 3  387.5674584  5951614043628 8 2    3627 9 2      C-13-H3C(O)CH3
  155024.1302  0.0015 -4.5423 3   35.7074108  59516140413 310 3    12 4 9 3      C-13-H3C(O)CH3
  155024.2084  0.0015 -4.5423 3   35.7074108  59516140413 310 4    12 4 9 4      C-13-H3C(O)CH3
  155025.2025  0.0015 -4.5423 3   35.7074108  59516140413 410 3    12 3 9 3      C-13-H3C(O)CH3
  155025.2650  0.0015 -4.5423 3   35.7074108  59516140413 410 4    12 3 9 4      C-13-H3C(O)CH3
  155026.2052  0.0132 -5.0876 3  240.7381440  5951614042726 2 1    2725 3 1      C-13-H3C(O)CH3
  155028.1163  0.0537 -5.6813 3  877.6505452  595161404563522 3    563423 3      C-13-H3C(O)CH3
  155033.0204  0.0157 -7.3405 3   73.5614264  5951614041612 5 2    1513 2 2      C-13-H3C(O)CH3
  155038.4296  1.0307 -6.5751 3 1526.5598B92  595161404744628 0    744529 0      C-13-H3C(O)CH3
  155050.2219  0.0089 -5.0548 3  387.5272292  5951614043628 8 3    362710 3      C-13-H3C(O)CH3
  155065.4408  0.3443 -6.2094 3 1170.0143524  595161404653827 3    653728 3      C-13-H3C(O)CH3
  155066.7850  0.0125 -6.2906 3   84.1150280  5951614041713 4 2    1710 7 2      C-13-H3C(O)CH3
  155067.0219  0.3423 -6.2094 3 1170.0144524  595161404653827 4    653728 4      C-13-H3C(O)CH3
  155067.9161  0.0226 -7.5387 3  323.0206552  595161404342114 2    3324 9 2      C-13-H3C(O)CH3
  155074.6043  0.0017 -4.2410 3   35.6505216  59516140413 310 1    12 4 9 1      C-13-H3C(O)CH3
  155075.2165  0.0016 -4.2412 3   35.6498216  59516140413 310 2    12 4 9 2      C-13-H3C(O)CH3
  155075.6892  0.0017 -4.2410 3   35.6505216  59516140413 410 1    12 3 9 1      C-13-H3C(O)CH3
  155076.3341  0.0016 -4.2411 3   35.6498216  59516140413 410 2    12 3 9 2      C-13-H3C(O)CH3
  155078.1090  0.0079 -4.7538 3  387.5532584  5951614043628 9 2    362710 2      C-13-H3C(O)CH3
  155081.7452  0.0083 -4.7536 3  387.5494584  5951614043628 8 1    3627 9 1      C-13-H3C(O)CH3
  155087.7257  0.4023 -5.8173 3 1113.3952A16  595161404634023 2    633924 2      C-13-H3C(O)CH3
  155103.7043  0.0086 -4.7787 3  316.6454520  5951614043227 6 1    3226 6 1      C-13-H3C(O)CH3
  155105.7745  0.0421 -5.9192 3  581.2823728  595161404453114 1    453016 1      C-13-H3C(O)CH3
  155110.3568  0.0079 -4.7538 3  387.5752584  5951614043628 8 0    3627 9 0      C-13-H3C(O)CH3
  155112.0307  0.0068 -5.1050 3   37.6370200  59516140412 7 5 1    11 8 4 1      C-13-H3C(O)CH3
  155112.0852  0.0111 -6.3725 3   86.5809140  5951614041714 4 4    1615 2 4      C-13-H3C(O)CH3
  155112.5062  0.0079 -4.7538 3  387.5751584  5951614043628 9 0    362710 0      C-13-H3C(O)CH3
  155114.3272  0.0043 -6.6640 3  162.9318204  595161404251114 3    241411 3      C-13-H3C(O)CH3
  155114.3766  0.0024 -4.5012 3  160.9605424  59516140426 818 2    26 719 2      C-13-H3C(O)CH3
  155114.3771  0.0024 -4.5012 3  160.9605424  59516140426 918 2    26 819 2      C-13-H3C(O)CH3
  155120.3116  0.0049 -6.6639 3  162.9316204  595161404251114 4    241411 4      C-13-H3C(O)CH3
  155121.5109  0.0045 -6.3616 3  162.9347408  595161404251114 1    241411 1      C-13-H3C(O)CH3
  155122.3077  0.0025 -4.5013 3  160.9617424  59516140426 818 1    26 719 1      C-13-H3C(O)CH3
  155122.3082  0.0025 -4.5013 3  160.9617424  59516140426 918 1    26 819 1      C-13-H3C(O)CH3
  155125.5471  0.0016 -4.2409 3   35.5931216  59516140413 310 0    12 4 9 0      C-13-H3C(O)CH3
  155126.6849  0.0016 -4.2409 3   35.5931216  59516140413 410 0    12 3 9 0      C-13-H3C(O)CH3
  155132.7343  0.0093 -5.0794 3  316.6161260  5951614043227 5 3    3226 6 3      C-13-H3C(O)CH3
  155141.5605  0.0115 -7.1057 3  264.5510504  595161404311814 2    3021 9 2      C-13-H3C(O)CH3
  155149.5665  0.0081 -4.7786 3  316.6626520  5951614043227 5 2    3226 6 2      C-13-H3C(O)CH3
  155155.1870  0.0103 -5.0791 3  316.6110260  5951614043227 5 4    3226 7 4      C-13-H3C(O)CH3
  155165.7197  0.0045 -6.3585 3  162.9302408  595161404251114 2    241411 2      C-13-H3C(O)CH3
  155170.0364  0.0042 -6.3572 3  162.9332408  595161404251114 0    241411 0      C-13-H3C(O)CH3
  155172.2292  0.0086 -4.7783 3  316.6574520  5951614043227 6 2    3226 7 2      C-13-H3C(O)CH3
  155187.5539  0.0172 -7.5249 3  264.5328252  595161404311814 4    3021 9 4      C-13-H3C(O)CH3
  155190.5768  0.2778 -5.8170 3 1113.3937A16  595161404634023 1    633924 1      C-13-H3C(O)CH3
  155191.2865  0.0087 -5.9256 3  112.1040164  5951614042013 7 3    201010 3      C-13-H3C(O)CH3
  155200.7421  0.0086 -6.4226 3   16.8164 68  595161404 8 7 1 4     7 6 2 4      C-13-H3C(O)CH3
  155228.9587  0.0065 -5.6200 3  112.0849328  5951614042013 7 2    201010 2      C-13-H3C(O)CH3
  155229.3161  0.0176 -6.6094 3   84.1530140  5951614041713 4 4    1710 7 4      C-13-H3C(O)CH3
  155245.2671  0.0148 -7.3391 3  323.0389552  595161404342114 0    3324 9 0      C-13-H3C(O)CH3
  155247.6284  0.0099 -7.0779 3  264.5700504  595161404311814 0    3021 9 0      C-13-H3C(O)CH3
  155248.2711  0.0023 -4.5002 3  160.9525424  59516140426 818 0    26 719 0      C-13-H3C(O)CH3
  155248.2716  0.0023 -4.5002 3  160.9525424  59516140426 918 0    26 819 0      C-13-H3C(O)CH3
  155251.6236  0.0100 -7.3813 3  443.7046340  595161404421626 4    411923 4      C-13-H3C(O)CH3
  155251.6393  0.0100 -7.3813 3  443.7047340  595161404421626 3    411923 3      C-13-H3C(O)CH3
  155251.7498  0.0100 -7.3813 3  443.7046340  595161404421726 4    411823 4      C-13-H3C(O)CH3
  155251.7663  0.0100 -7.3813 3  443.7047340  595161404421726 3    411823 3      C-13-H3C(O)CH3
  155259.4598  1.2730 -6.5742 3 1526.5629B92  595161404744628 2    744529 2      C-13-H3C(O)CH3
  155266.5286  0.0042 -5.6160 3  112.0703328  5951614042013 7 0    201010 0      C-13-H3C(O)CH3
  155275.4772  0.0100 -7.0805 3  443.7326680  595161404421626 1    411923 1      C-13-H3C(O)CH3
  155275.5931  0.0100 -7.0805 3  443.7326680  595161404421726 1    411823 1      C-13-H3C(O)CH3
  155284.5272  0.0060 -5.6230 3  112.0894328  5951614042013 7 1    201010 1      C-13-H3C(O)CH3
  155297.9664  0.0102 -7.0783 3  443.7302680  595161404421626 2    411923 2      C-13-H3C(O)CH3
  155298.0873  0.0102 -7.0783 3  443.7302680  595161404421726 2    411823 2      C-13-H3C(O)CH3
  155298.7200  0.0086 -4.7778 3  316.6439520  5951614043227 5 1    3226 7 1      C-13-H3C(O)CH3
  155304.7229  0.0057 -5.9303 3  112.1042164  5951614042013 7 4    201010 4      C-13-H3C(O)CH3
  155317.6959  0.0085 -4.7781 3  316.6903520  5951614043227 5 0    3226 6 0      C-13-H3C(O)CH3
  155317.7193  0.0085 -4.7781 3  316.6903520  5951614043227 6 0    3226 7 0      C-13-H3C(O)CH3
  155321.6950  0.0087 -7.0787 3  443.7580680  595161404421626 0    411923 0      C-13-H3C(O)CH3
  155321.8053  0.0087 -7.0787 3  443.7580680  595161404421726 0    411823 0      C-13-H3C(O)CH3
  155342.4063  0.0124 -7.0679 3   43.6927200  5951614041211 1 0    12 8 4 0      C-13-H3C(O)CH3
  155367.3099  0.0124 -7.1873 3  264.5493504  595161404311814 1    3021 9 1      C-13-H3C(O)CH3
  155386.8544  0.2599 -5.9071 3 1170.0088A48  595161404653827 1    653728 1      C-13-H3C(O)CH3
  155387.2835  0.0579 -6.7399 3  511.9904340  595161404423013 3    422913 3      C-13-H3C(O)CH3
  155388.7993  0.0160 -7.4502 3  264.5261252  595161404311814 3    3021 9 3      C-13-H3C(O)CH3
  155403.7153  0.0053 -6.4725 3   47.8144216  5951614041310 4 0    13 7 7 0      C-13-H3C(O)CH3
  155431.8626  0.0143 -5.1877 3  580.2924372  595161404462521 3    462422 3      C-13-H3C(O)CH3
  155433.0459  0.0145 -5.1877 3  580.2923372  595161404462521 4    462422 4      C-13-H3C(O)CH3
  155441.8930  0.0139 -4.8868 3  580.3084744  595161404462521 2    462422 2      C-13-H3C(O)CH3
  155455.5727  0.0170 -5.6556 3  228.0434212  5951614042626 0 4    2625 1 4      C-13-H3C(O)CH3
  155482.5149  0.0076 -4.8866 3  580.3115744  595161404462521 1    462422 1      C-13-H3C(O)CH3
  155491.7515  0.0078 -4.8867 3  580.3275744  595161404462521 0    462422 0      C-13-H3C(O)CH3
  155493.7953  0.3653 -5.9067 3 1170.0150A48  595161404653827 2    653728 2      C-13-H3C(O)CH3
  155505.2216  0.0171 -5.0053 3  631.8493760  595161404473215 0    473116 0      C-13-H3C(O)CH3
  155532.7207  0.0495 -6.1714 3  631.8628380  595161404473216 3    473116 3      C-13-H3C(O)CH3
  155541.0068  0.0418 -5.3356 3  849.9411888  595161404553521 0    553422 0      C-13-H3C(O)CH3
  155541.6007  0.0036 -4.8216 3  145.3009204  59516140425 718 4    25 619 4      C-13-H3C(O)CH3
  155541.6007  0.0036 -4.8216 3  145.3009204  59516140425 818 4    25 719 4      C-13-H3C(O)CH3
  155541.6603  0.0029 -4.8216 3  145.3009204  59516140425 718 3    25 619 3      C-13-H3C(O)CH3
  155541.6604  0.0029 -4.8216 3  145.3009204  59516140425 818 3    25 719 3      C-13-H3C(O)CH3
  155562.0984  0.0105 -4.8494 3  511.9938680  595161404423012 0    422913 0      C-13-H3C(O)CH3
  155575.7067  0.0644 -6.1459 3  581.2842728  595161404453114 2    453016 2      C-13-H3C(O)CH3
  155592.3186  0.0164 -5.1057 3  719.3863824  595161404513022 0    512923 0      C-13-H3C(O)CH3
  155608.7680  0.0137 -7.3119 3   43.7439200  5951614041211 1 1    12 8 4 1      C-13-H3C(O)CH3
  155618.8688  0.0153 -5.1055 3  719.3782824  595161404513022 2    512923 2      C-13-H3C(O)CH3
  155623.5796  0.0170 -5.1055 3  719.3802824  595161404513022 1    512923 1      C-13-H3C(O)CH3
  155629.9341  0.0104 -4.8528 3  511.9947680  595161404423012 1    422913 1      C-13-H3C(O)CH3
  155640.5579  0.0061 -7.2276 3    8.3098 52  595161404 6 6 1 4     5 3 2 4      C-13-H3C(O)CH3
  155645.1796  0.0147 -5.6547 3  228.0143212  5951614042626 1 3    2625 2 3      C-13-H3C(O)CH3
  155645.9681  0.0099 -4.8505 3  512.0128680  595161404423012 2    422913 2      C-13-H3C(O)CH3
  155646.8574  0.0111 -5.1611 3  511.9904340  595161404423012 3    422913 3      C-13-H3C(O)CH3
  155648.4650  0.0150 -5.4062 3  719.3721412  595161404513022 4    512923 4      C-13-H3C(O)CH3
  155651.4474  0.0099 -5.1503 3  512.0159340  595161404423012 4    422913 4      C-13-H3C(O)CH3
  155653.8818  0.0146 -5.4062 3  719.3721412  595161404513022 3    512923 3      C-13-H3C(O)CH3
  155657.0526  0.0116 -4.8527 3  511.9682680  595161404423013 1    422914 1      C-13-H3C(O)CH3
  155662.2884  0.0886 -6.4913 3  684.5568396  595161404493317 4    493217 4      C-13-H3C(O)CH3
  155689.6338  0.0027 -4.5194 3  145.2845408  59516140425 718 2    25 619 2      C-13-H3C(O)CH3
  155689.6339  0.0027 -4.5194 3  145.2845408  59516140425 818 2    25 719 2      C-13-H3C(O)CH3
  155696.3728  0.0027 -4.5195 3  145.2855408  59516140425 718 1    25 619 1      C-13-H3C(O)CH3
  155696.3729  0.0027 -4.5195 3  145.2855408  59516140425 818 1    25 719 1      C-13-H3C(O)CH3
  155711.5491  0.0082 -5.4449 3   37.6676100  59516140412 7 5 4    11 8 4 4      C-13-H3C(O)CH3
  155712.8822  0.0105 -4.8486 3  511.9882680  595161404423013 0    422914 0      C-13-H3C(O)CH3
  155715.5714  0.0116 -7.1911 3  119.3254172  595161404211110 4    2014 6 4      C-13-H3C(O)CH3
  155726.5822  0.3535 -6.1146 3 1113.4013508  595161404634023 3    633924 3      C-13-H3C(O)CH3
  155735.6388  0.0145 -5.3537 3  228.1057424  5951614042626 0 2    2625 1 2      C-13-H3C(O)CH3
  155750.9347  2.6256 -7.4744 3 2004.0914D68  595161404855233 2    855134 2      C-13-H3C(O)CH3
  155767.5666  0.0353 -5.3363 3  849.9509888  595161404553521 1    553422 1      C-13-H3C(O)CH3
  155771.3712  0.0149 -5.6543 3  228.0324212  5951614042626 0 3    2625 1 3      C-13-H3C(O)CH3
  155771.4660  0.9683 -6.5719 3 1526.5498B92  595161404744628 1    744529 1      C-13-H3C(O)CH3
  155795.9373  0.0160 -5.3534 3  228.0874424  5951614042626 0 1    2625 1 1      C-13-H3C(O)CH3
  155799.5189  0.4154 -6.1181 3 1113.4027508  595161404634023 4    633924 4      C-13-H3C(O)CH3
  155805.0009  0.0480 -5.3369 3  849.9510888  595161404553521 2    553422 2      C-13-H3C(O)CH3
  155812.8508  0.0119 -4.8498 3  511.9730680  595161404423013 2    422914 2      C-13-H3C(O)CH3
  155814.6204  0.2720 -5.9053 3 1170.0094A48  595161404653827 0    653728 0      C-13-H3C(O)CH3
  155816.8895  0.0095 -5.0883 3  447.4094316  595161404392910 3    392811 3      C-13-H3C(O)CH3
  155819.9843  0.0140 -5.1497 3  511.9503340  595161404423013 4    422914 4      C-13-H3C(O)CH3
  155820.7931  0.0117 -6.7589 3  137.4451180  5951614042215 8 4    221210 4      C-13-H3C(O)CH3
  155824.7473  0.0062 -6.1544 3   75.4765140  59516140417 9 9 4    1610 6 4      C-13-H3C(O)CH3
  155824.9392  0.0125 -5.1604 3  511.9758340  595161404423013 3    422914 3      C-13-H3C(O)CH3
  155828.3647  0.0136 -7.3200 3   43.7408200  5951614041211 1 2    12 8 4 2      C-13-H3C(O)CH3
  155844.0431  0.0025 -4.5183 3  145.2692408  59516140425 718 0    25 619 0      C-13-H3C(O)CH3
  155844.0432  0.0025 -4.5183 3  145.2692408  59516140425 818 0    25 719 0      C-13-H3C(O)CH3
  155867.0518  0.0222 -5.0665 3  631.8582760  595161404473215 1    473116 1      C-13-H3C(O)CH3
  155867.2382  0.0098 -5.0877 3  447.4271316  595161404392910 4    392811 4      C-13-H3C(O)CH3
  155869.0807  0.0092 -4.7870 3  447.4012632  595161404392911 1    392812 1      C-13-H3C(O)CH3
  155885.8072  0.0088 -4.7868 3  447.4380632  595161404392910 2    392811 2      C-13-H3C(O)CH3
  155886.5039  0.0066 -6.1530 3   75.4745140  59516140417 9 9 3    1610 6 3      C-13-H3C(O)CH3
  155905.3866  0.1347 -7.4292 3  980.0849952  595161404593822 1    593722 1      C-13-H3C(O)CH3
  155914.0866  0.1696 -7.3498 3  980.0850952  595161404593822 2    593722 2      C-13-H3C(O)CH3
  155917.5667  0.0088 -4.7868 3  447.4190632  595161404392910 1    392811 1      C-13-H3C(O)CH3
  155926.0971  0.0149 -5.3527 3  228.0765424  5951614042626 1 2    2625 2 2      C-13-H3C(O)CH3
  155928.5049  0.0086 -4.7868 3  447.4300632  595161404392910 0    392811 0      C-13-H3C(O)CH3
  155933.7583  0.0107 -5.0876 3  447.3817316  595161404392911 4    392812 4      C-13-H3C(O)CH3
  155943.4281  0.0341 -5.6425 3  849.9599444  595161404553521 4    553422 4      C-13-H3C(O)CH3
  155943.6728  0.0366 -5.3680 3  631.8628380  595161404473215 3    473116 3      C-13-H3C(O)CH3
  155948.9940  0.0086 -4.7866 3  447.4293632  595161404392911 0    392812 0      C-13-H3C(O)CH3
  155960.9071  0.0152 -5.6533 3  228.0033212  5951614042626 1 4    2625 2 4      C-13-H3C(O)CH3
  155970.7833  2.2604 -7.4735 3 2004.0863D68  595161404855233 0    855134 0      C-13-H3C(O)CH3
  155974.7291  0.0443 -6.1732 3  709.0348808  595161404503317 1    503219 1      C-13-H3C(O)CH3
  155984.9090  0.0100 -5.0877 3  447.3995316  595161404392911 3    392812 3      C-13-H3C(O)CH3
  155989.8683  1.1198 -6.8720 3 1526.5530596  595161404744628 4    744529 4      C-13-H3C(O)CH3
  155992.2892  1.0924 -6.8721 3 1526.5530596  595161404744628 3    744529 3      C-13-H3C(O)CH3
  155992.6243  0.0055 -5.8477 3   75.4427280  59516140417 9 9 1    1610 6 1      C-13-H3C(O)CH3
  155995.5815  0.0443 -7.2190 3  709.0469404  595161404503317 3    503219 3      C-13-H3C(O)CH3
  156004.3168  0.0092 -4.7864 3  447.4103632  595161404392911 2    392812 2      C-13-H3C(O)CH3
  156019.3790  0.0233 -5.0472 3  631.8694760  595161404473215 2    473116 2      C-13-H3C(O)CH3
  156028.5226  0.0039 -4.8499 3  130.2224196  59516140424 718 4    24 619 4      C-13-H3C(O)CH3
  156028.5226  0.0039 -4.8499 3  130.2224196  59516140424 618 4    24 519 4      C-13-H3C(O)CH3
  156028.5443  0.0032 -4.8499 3  130.2224196  59516140424 618 3    24 519 3      C-13-H3C(O)CH3
  156028.5444  0.0032 -4.8499 3  130.2224196  59516140424 718 3    24 619 3      C-13-H3C(O)CH3
  156030.7307  0.0077 -7.2824 3  119.2983344  595161404211110 2    2014 6 2      C-13-H3C(O)CH3
  156051.9206  0.0598 -5.5040 3  775.5546428  595161404533023 3    532924 3      C-13-H3C(O)CH3
  156054.7600  0.0601 -5.5040 3  775.5547428  595161404533023 4    532924 4      C-13-H3C(O)CH3
  156060.2087  0.0017 -4.4449 3   37.9183116  59516140414 212 3    13 311 3      C-13-H3C(O)CH3
  156060.2120  0.0017 -4.4449 3   37.9183116  59516140414 312 3    13 211 3      C-13-H3C(O)CH3
  156060.2728  0.0017 -4.4449 3   37.9183116  59516140414 212 4    13 311 4      C-13-H3C(O)CH3
  156060.2761  0.0017 -4.4449 3   37.9183116  59516140414 312 4    13 211 4      C-13-H3C(O)CH3
  156078.9039  0.0156 -5.3525 3  228.1497424  5951614042626 1 0    2625 1 0      C-13-H3C(O)CH3
  156078.9039  0.0156 -5.3525 3  228.1497424  5951614042626 0 0    2625 2 0      C-13-H3C(O)CH3
  156084.5130  0.0606 -6.7359 3  511.9758340  595161404423012 3    422914 3      C-13-H3C(O)CH3
  156096.7415  0.0019 -4.1436 3   37.8582232  59516140414 212 1    13 311 1      C-13-H3C(O)CH3
  156096.7449  0.0019 -4.1436 3   37.8582232  59516140414 312 1    13 211 1      C-13-H3C(O)CH3
  156097.0112  0.0018 -4.1437 3   37.8576232  59516140414 212 2    13 311 2      C-13-H3C(O)CH3
  156097.0147  0.0018 -4.1437 3   37.8576232  59516140414 312 2    13 211 2      C-13-H3C(O)CH3
  156112.9972  0.0152 -5.3521 3  228.0763424  5951614042626 1 1    2625 2 1      C-13-H3C(O)CH3
  156120.2801  0.0058 -5.8421 3   75.4361280  59516140417 9 9 2    1610 6 2      C-13-H3C(O)CH3
  156120.8508  0.0573 -5.6343 3  849.9619444  595161404553521 3    553422 3      C-13-H3C(O)CH3
  156133.4377  0.0017 -4.1434 3   37.7976232  59516140414 212 0    13 311 0      C-13-H3C(O)CH3
  156133.4413  0.0017 -4.1434 3   37.7976232  59516140414 312 0    13 211 0      C-13-H3C(O)CH3
  156142.3465  0.0080 -7.1552 3  119.3007344  595161404211110 1    2014 6 1      C-13-H3C(O)CH3
  156162.0096  0.1387 -7.1897 3  980.1007476  595161404593822 4    593722 4      C-13-H3C(O)CH3
  156199.0920  0.0031 -4.5476 3  130.1982392  59516140424 718 2    24 619 2      C-13-H3C(O)CH3
  156199.0920  0.0031 -4.5476 3  130.1982392  59516140424 618 2    24 519 2      C-13-H3C(O)CH3
  156204.1114  0.0216 -5.3239 3  631.8872380  595161404473215 4    473116 4      C-13-H3C(O)CH3
  156204.6709  0.0032 -4.5477 3  130.1990392  59516140424 618 1    24 519 1      C-13-H3C(O)CH3
  156204.6709  0.0032 -4.5477 3  130.1990392  59516140424 718 1    24 619 1      C-13-H3C(O)CH3
  156217.4807  0.0617 -5.2023 3  775.5591856  595161404533023 2    532924 2      C-13-H3C(O)CH3
  156241.0904  0.0032 -4.5460 3  323.0510568  595161404351619 2    351520 2      C-13-H3C(O)CH3
  156244.8675  0.0033 -4.8470 3  323.0269284  595161404351619 3    351520 3      C-13-H3C(O)CH3
  156244.8679  0.0034 -4.8470 3  323.0268284  595161404351619 4    351520 4      C-13-H3C(O)CH3
  156245.0470  0.0032 -4.5460 3  323.0510568  595161404351719 2    351620 2      C-13-H3C(O)CH3
  156248.8260  0.0034 -4.8470 3  323.0268284  595161404351719 4    351620 4      C-13-H3C(O)CH3
  156248.8391  0.0033 -4.8470 3  323.0269284  595161404351719 3    351620 3      C-13-H3C(O)CH3
  156254.4243  0.0044 -5.8372 3   75.4035280  59516140417 9 9 0    1610 6 0      C-13-H3C(O)CH3
  156254.6633  0.0028 -4.5459 3  323.0780568  595161404351619 0    351520 0      C-13-H3C(O)CH3
  156257.9461  0.0787 -6.0615 3  709.0365808  595161404503317 2    503219 2      C-13-H3C(O)CH3
  156258.3961  0.0031 -4.5460 3  323.0538568  595161404351619 1    351520 1      C-13-H3C(O)CH3
  156258.4473  0.0028 -4.5459 3  323.0780568  595161404351719 0    351620 0      C-13-H3C(O)CH3
  156258.9928  0.0359 -5.2022 3  775.5606856  595161404533023 1    532924 1      C-13-H3C(O)CH3
  156262.1927  0.0031 -4.5460 3  323.0538568  595161404351719 1    351620 1      C-13-H3C(O)CH3
  156326.9506  0.0126 -6.1780 3   61.8204124  5951614041510 6 4    1411 3 4      C-13-H3C(O)CH3
  156350.3183  0.0065 -6.9511 3   47.8609216  5951614041310 3 1    13 7 7 1      C-13-H3C(O)CH3
  156358.1029  0.0086 -6.8394 3  137.4386360  5951614042215 8 1    221210 1      C-13-H3C(O)CH3
  156366.0923  0.0064 -6.9684 3   47.8593216  5951614041310 3 2    13 7 7 2      C-13-H3C(O)CH3
  156374.8600  0.0029 -4.5463 3  130.1749392  59516140424 618 0    24 519 0      C-13-H3C(O)CH3
  156374.8600  0.0029 -4.5463 3  130.1749392  59516140424 718 0    24 619 0      C-13-H3C(O)CH3
  156410.7357  0.0590 -5.9633 3  684.5361792  595161404493317 2    493217 2      C-13-H3C(O)CH3
  156421.0257  0.0387 -5.2015 3  775.5649856  595161404533023 0    532924 0      C-13-H3C(O)CH3
  156424.5508  0.0358 -6.8889 3  511.9682680  595161404423012 1    422914 1      C-13-H3C(O)CH3
  156438.1785  0.0076 -6.7683 3  312.2797568  595161404351421 1    341718 1      C-13-H3C(O)CH3
  156446.3628  0.0076 -7.0695 3  312.2531284  595161404351421 4    341718 4      C-13-H3C(O)CH3
  156446.4715  0.0074 -7.0695 3  312.2531284  595161404351421 3    341718 3      C-13-H3C(O)CH3
  156454.9282  0.0076 -6.7682 3  312.2791568  595161404351521 1    341618 1      C-13-H3C(O)CH3
  156455.2568  0.0036 -4.8916 3  115.7359188  59516140423 518 3    23 419 3      C-13-H3C(O)CH3
  156455.2568  0.0036 -4.8916 3  115.7359188  59516140423 618 3    23 519 3      C-13-H3C(O)CH3
  156455.2857  0.0044 -4.8915 3  115.7359188  59516140423 618 4    23 519 4      C-13-H3C(O)CH3
  156455.2857  0.0044 -4.8915 3  115.7359188  59516140423 518 4    23 419 4      C-13-H3C(O)CH3
  156463.6783  0.0076 -7.0694 3  312.2525284  595161404351521 4    341618 4      C-13-H3C(O)CH3
  156463.8388  0.0074 -7.0694 3  312.2525284  595161404351521 3    341618 3      C-13-H3C(O)CH3
  156472.2241  0.0065 -6.7654 3  312.3024568  595161404351421 0    341718 0      C-13-H3C(O)CH3
  156480.6572  0.0076 -6.7655 3  312.2759568  595161404351421 2    341718 2      C-13-H3C(O)CH3
  156489.0197  0.0065 -6.7653 3  312.3019568  595161404351521 0    341618 0      C-13-H3C(O)CH3
  156498.0643  0.0076 -6.7654 3  312.2753568  595161404351521 2    341618 2      C-13-H3C(O)CH3
  156507.8910  2.0889 -7.4712 3 2004.0631D68  595161404855233 1    855134 1      C-13-H3C(O)CH3
  156556.4913  0.0461 -5.8998 3  684.5276792  595161404493317 1    493217 1      C-13-H3C(O)CH3
  156561.2270  0.0827 -6.8082 3  581.2676364  595161404453114 4    453016 4      C-13-H3C(O)CH3
  156602.8489  0.0112 -5.1165 3  301.4380252  5951614043127 4 4    3126 5 4      C-13-H3C(O)CH3
  156603.7282  0.0075 -5.7052 3   73.5123264  5951614041612 5 0    1513 2 0      C-13-H3C(O)CH3
  156646.3911  0.0166 -7.0982 3  159.5341392  595161404241410 2    2317 6 2      C-13-H3C(O)CH3
  156648.1876  0.0041 -4.7002 3  455.3575664  595161404412120 0    412021 0      C-13-H3C(O)CH3
  156649.0571  0.0037 -4.5890 3  115.7032376  59516140423 618 2    23 519 2      C-13-H3C(O)CH3
  156649.0571  0.0037 -4.5890 3  115.7032376  59516140423 518 2    23 419 2      C-13-H3C(O)CH3
  156650.0926  0.0054 -4.7001 3  455.3306664  595161404412120 2    412021 2      C-13-H3C(O)CH3
  156653.5044  0.0038 -4.5893 3  115.7039376  59516140423 518 1    23 419 1      C-13-H3C(O)CH3
  156653.5044  0.0038 -4.5893 3  115.7039376  59516140423 618 1    23 519 1      C-13-H3C(O)CH3
  156662.8043  0.0100 -5.1160 3  301.4285252  5951614043127 5 3    3126 6 3      C-13-H3C(O)CH3
  156675.7171  0.0044 -4.7000 3  455.3340664  595161404412120 1    412021 1      C-13-H3C(O)CH3
  156677.6664  0.0057 -5.0009 3  455.3070332  595161404412120 3    412021 3      C-13-H3C(O)CH3
  156677.9538  0.0057 -5.0009 3  455.3070332  595161404412120 4    412021 4      C-13-H3C(O)CH3
  156692.4714  0.0259 -5.1967 3  764.8229840  595161404523419 0    523320 0      C-13-H3C(O)CH3
  156702.8756  0.0441 -5.3598 3  872.4086904  595161404563423 0    563324 0      C-13-H3C(O)CH3
  156705.5025  0.0240 -7.3608 3  159.5442196  595161404241410 4    2317 6 4      C-13-H3C(O)CH3
  156725.3658  0.0081 -7.0595 3  137.4302360  5951614042215 8 2    221210 2      C-13-H3C(O)CH3
  156727.5835  0.0357 -5.5519 3  764.8394420  595161404523419 4    523320 4      C-13-H3C(O)CH3
  156749.3081  0.0174 -5.0618 3  631.7942760  595161404473216 1    473117 1      C-13-H3C(O)CH3
  156772.5268  0.0079 -6.9197 3    8.2387104  595161404 6 6 1 1     5 3 2 1      C-13-H3C(O)CH3
  156782.9594  0.0265 -5.2184 3  764.8322840  595161404523419 1    523320 1      C-13-H3C(O)CH3
  156795.3387  0.0041 -4.6994 3  455.3581664  595161404412220 0    412121 0      C-13-H3C(O)CH3
  156800.2171  0.2402 -6.0091 3 1064.0091500  595161404623626 3    623527 3      C-13-H3C(O)CH3
  156802.4265  0.2387 -6.0091 3 1064.0092500  595161404623626 4    623527 4      C-13-H3C(O)CH3
  156803.7618  0.0052 -4.6993 3  455.3312664  595161404412220 2    412121 2      C-13-H3C(O)CH3
  156804.6630  0.0298 -5.2276 3  764.8335840  595161404523419 2    523320 2      C-13-H3C(O)CH3
  156809.9463  0.0095 -4.8148 3  301.4692504  5951614043127 5 1    3126 5 1      C-13-H3C(O)CH3
  156825.4086  0.0044 -4.6992 3  455.3346664  595161404412220 1    412121 1      C-13-H3C(O)CH3
  156825.8618  0.0066 -4.8796 3  580.3345744  595161404462621 0    462522 0      C-13-H3C(O)CH3
  156825.9276  0.0403 -5.3592 3  872.4118904  595161404563423 1    563324 1      C-13-H3C(O)CH3
  156827.6273  0.0041 -4.9542 3  101.8428180  59516140422 518 3    22 419 3      C-13-H3C(O)CH3
  156827.6273  0.0041 -7.1863 3  101.8428180  59516140422 418 3    22 419 3      C-13-H3C(O)CH3
  156827.6273  0.0041 -4.9517 3  101.8428180  59516140422 418 3    22 319 3      C-13-H3C(O)CH3
  156827.7202  0.0049 -4.9550 3  101.8428180  59516140422 518 4    22 419 4      C-13-H3C(O)CH3
  156827.7202  0.0049 -7.0815 3  101.8428180  59516140422 418 4    22 419 4      C-13-H3C(O)CH3
  156827.7202  0.0049 -4.9522 3  101.8428180  59516140422 418 4    22 319 4      C-13-H3C(O)CH3
  156827.8349  0.0102 -5.1155 3  301.4358252  5951614043127 4 3    3126 5 3      C-13-H3C(O)CH3
  156829.2437  0.0353 -5.3592 3  872.4114904  595161404563423 2    563324 2      C-13-H3C(O)CH3
  156829.4967  0.0090 -4.8148 3  301.4874504  5951614043127 4 2    3126 5 2      C-13-H3C(O)CH3
  156829.5258  0.0093 -4.8794 3  580.3157744  595161404462621 2    462522 2      C-13-H3C(O)CH3
  156831.3290  0.0210 -5.0430 3  631.7961760  595161404473216 2    473117 2      C-13-H3C(O)CH3
  156834.0024  0.0054 -5.0000 3  455.3076332  595161404412220 4    412121 4      C-13-H3C(O)CH3
  156834.0303  0.0054 -5.0000 3  455.3076332  595161404412220 3    412121 3      C-13-H3C(O)CH3
  156840.2761  0.0540 -7.2669 3  511.9730680  595161404423012 2    422914 2      C-13-H3C(O)CH3
  156846.8865  0.0035 -4.5876 3  115.6714376  59516140423 518 0    23 419 0      C-13-H3C(O)CH3
  156846.8865  0.0035 -4.5876 3  115.6714376  59516140423 618 0    23 519 0      C-13-H3C(O)CH3
  156848.2983  0.0073 -4.8794 3  580.3187744  595161404462621 1    462522 1      C-13-H3C(O)CH3
  156848.3328  0.1992 -5.6879 3 1045.6492984  595161404613922 0    613823 0      C-13-H3C(O)CH3
  156851.8286  0.0098 -5.1802 3  580.2999372  595161404462621 4    462522 4      C-13-H3C(O)CH3
  156852.7843  0.0097 -5.1802 3  580.3000372  595161404462621 3    462522 3      C-13-H3C(O)CH3
  156877.5901  0.0263 -5.3205 3  631.7849380  595161404473216 4    473117 4      C-13-H3C(O)CH3
  156878.3301  0.0161 -4.9979 3  631.7964760  595161404473216 0    473117 0      C-13-H3C(O)CH3
  156886.7554  0.0110 -5.1150 3  301.4262252  5951614043127 5 4    3126 6 4      C-13-H3C(O)CH3
  156887.3981  0.0546 -5.4178 3  905.7566920  595161404573523 0    573424 0      C-13-H3C(O)CH3
  156888.9399  0.0095 -4.8143 3  301.4778504  5951614043127 5 2    3126 6 2      C-13-H3C(O)CH3
  156913.1808  0.0080 -7.1895 3   47.9059108  5951614041310 3 4    13 7 7 4      C-13-H3C(O)CH3
  156944.2576  0.0216 -5.6597 3  872.4146452  595161404563423 4    563324 4      C-13-H3C(O)CH3
  156956.3525  0.0096 -6.9206 3    8.2374104  595161404 6 6 1 2     5 3 2 2      C-13-H3C(O)CH3
  156962.9731  0.0079 -5.7126 3   73.5614264  5951614041612 4 2    1513 2 2      C-13-H3C(O)CH3
  156963.4837  0.0263 -5.6596 3  872.4148452  595161404563423 3    563324 3      C-13-H3C(O)CH3
  156966.5681  0.8496 -6.9970 3 1598.5159612  595161404764531 4    764432 4      C-13-H3C(O)CH3
  156968.4292  0.8511 -6.9970 3 1598.5159612  595161404764531 3    764432 3      C-13-H3C(O)CH3
  157034.5659  0.0094 -4.8138 3  301.4669504  5951614043127 4 1    3126 6 1      C-13-H3C(O)CH3
  157038.3618  0.0095 -4.8141 3  301.5185504  5951614043127 4 0    3126 5 0      C-13-H3C(O)CH3
  157038.3646  0.0095 -4.8141 3  301.5185504  5951614043127 5 0    3126 6 0      C-13-H3C(O)CH3
  157042.7447  0.6828 -6.6956 3 1598.5118C24  595161404764531 1    764432 1      C-13-H3C(O)CH3
  157045.2147  0.0046 -4.6491 3  101.8011360  59516140422 418 2    22 319 2      C-13-H3C(O)CH3
  157045.2147  0.0046 -7.2579 3  101.8011360  59516140422 418 2    22 419 2      C-13-H3C(O)CH3
  157045.2147  0.0046 -4.6500 3  101.8011360  59516140422 518 2    22 419 2      C-13-H3C(O)CH3
  157048.5581  0.0047 -4.6504 3  101.8017360  59516140422 418 1    22 319 1      C-13-H3C(O)CH3
  157048.5581  0.0047 -4.6504 3  101.8017360  59516140422 518 1    22 419 1      C-13-H3C(O)CH3
  157048.5581  0.0047 -7.1861 3  101.8017360  59516140422 518 1    22 319 1      C-13-H3C(O)CH3
  157048.5581  0.0047 -7.1859 3  101.8017360  59516140422 418 1    22 419 1      C-13-H3C(O)CH3
  157055.7902  0.0163 -6.5291 3   73.5307132  5951614041612 5 3    1513 2 3      C-13-H3C(O)CH3
  157062.3257  0.0485 -5.4171 3  905.7623920  595161404573523 1    573424 1      C-13-H3C(O)CH3
  157066.0328  0.0500 -5.4171 3  905.7622920  595161404573523 2    573424 2      C-13-H3C(O)CH3
  157078.3289  0.0170 -7.0790 3  159.5326392  595161404241410 1    2317 6 1      C-13-H3C(O)CH3
  157123.1457  0.0019 -4.8368 3   29.4654 92  59516140411 6 6 4    10 5 5 4      C-13-H3C(O)CH3
  157123.5515  0.1003 -6.4175 3  739.3679412  595161404513418 4    513318 4      C-13-H3C(O)CH3
  157125.8979  0.0134 -6.7343 3  159.5194392  595161404241410 0    2317 7 0      C-13-H3C(O)CH3
  157129.4566  0.1193 -6.2644 3  709.0373404  595161404503317 4    503219 4      C-13-H3C(O)CH3
  157134.1153  0.0020 -4.3634 3   39.5811124  59516140415 214 3    14 113 3      C-13-H3C(O)CH3
  157134.1153  0.0020 -4.3634 3   39.5811124  59516140415 114 3    14 213 3      C-13-H3C(O)CH3
  157134.1544  0.0020 -4.3634 3   39.5811124  59516140415 214 4    14 113 4      C-13-H3C(O)CH3
  157134.1544  0.0020 -4.3634 3   39.5811124  59516140415 114 4    14 213 4      C-13-H3C(O)CH3
  157134.3656  0.1753 -5.7067 3 1064.0044A00  595161404623626 1    623527 1      C-13-H3C(O)CH3
  157137.8679  0.0290 -5.3616 3  631.8093380  595161404473216 3    473117 3      C-13-H3C(O)CH3
  157150.9635  0.0047 -5.4950 3   88.5445172  59516140421 318 3    21 319 3      C-13-H3C(O)CH3
  157150.9635  0.0047 -5.2227 3   88.5445172  59516140421 418 3    21 319 3      C-13-H3C(O)CH3
  157150.9635  0.0047 -5.5063 3   88.5445172  59516140421 418 3    21 219 3      C-13-H3C(O)CH3
  157150.9635  0.0047 -5.2287 3   88.5445172  59516140421 318 3    21 219 3      C-13-H3C(O)CH3
  157151.1341  0.0055 -5.2554 3   88.5445172  59516140421 318 4    21 319 4      C-13-H3C(O)CH3
  157151.1341  0.0055 -5.4497 3   88.5445172  59516140421 418 4    21 319 4      C-13-H3C(O)CH3
  157151.1341  0.0055 -5.2554 3   88.5445172  59516140421 418 4    21 219 4      C-13-H3C(O)CH3
  157151.1341  0.0055 -5.4497 3   88.5445172  59516140421 318 4    21 219 4      C-13-H3C(O)CH3
  157151.5799  0.0084 -5.7089 3   73.5561264  5951614041612 4 1    1513 2 1      C-13-H3C(O)CH3
  157156.3304  0.0022 -4.0621 3   39.5160248  59516140415 214 1    14 113 1      C-13-H3C(O)CH3
  157156.3304  0.0022 -4.0621 3   39.5160248  59516140415 114 1    14 213 1      C-13-H3C(O)CH3
  157156.4725  0.0021 -4.0622 3   39.5155248  59516140415 214 2    14 113 2      C-13-H3C(O)CH3
  157156.4725  0.0021 -4.0622 3   39.5155248  59516140415 114 2    14 213 2      C-13-H3C(O)CH3
  157157.6189  0.0027 -4.8366 3   29.4645 92  59516140411 6 6 3    10 5 5 3      C-13-H3C(O)CH3
  157159.7176  0.0111 -6.0035 3   73.6053132  5951614041612 4 4    1513 2 4      C-13-H3C(O)CH3
  157167.4576  0.0173 -6.5098 3  104.2533156  5951614041914 6 4    1911 8 4      C-13-H3C(O)CH3
  157178.6222  0.0020 -4.0619 3   39.4505248  59516140415 214 0    14 113 0      C-13-H3C(O)CH3
  157178.6222  0.0020 -4.0619 3   39.4505248  59516140415 114 0    14 213 0      C-13-H3C(O)CH3
  157183.1550  0.0078 -5.7014 3   73.5122264  5951614041612 4 0    1513 3 0      C-13-H3C(O)CH3
  157190.6438  0.2543 -5.7065 3 1064.0079A00  595161404623626 2    623527 2      C-13-H3C(O)CH3
  157213.5110  0.0062 -7.2683 3   24.1613168  59516140410 5 5 2    10 2 8 2      C-13-H3C(O)CH3
  157218.6911  0.0388 -5.4979 3  764.8464420  595161404523419 3    523320 3      C-13-H3C(O)CH3
  157226.7873  0.0315 -5.7175 3  905.7679460  595161404573523 4    573424 4      C-13-H3C(O)CH3
  157237.1389  0.0111 -6.1546 3   73.5246132  5951614041612 5 3    1513 3 3      C-13-H3C(O)CH3
  157241.8679  0.0089 -7.0924 3    8.3086 52  595161404 6 6 1 3     5 3 2 3      C-13-H3C(O)CH3
  157244.0170  0.0088 -5.0567 3  370.2958284  5951614043528 8 3    3527 8 3      C-13-H3C(O)CH3
  157253.7949  0.0219 -5.0777 3  684.5156792  595161404493316 0    493217 0      C-13-H3C(O)CH3
  157257.5015  0.0412 -5.7172 3  905.7682460  595161404573523 3    573424 3      C-13-H3C(O)CH3
  157265.4845  0.0075 -5.7109 3   73.4869264  5951614041612 5 2    1513 3 2      C-13-H3C(O)CH3
  157265.6633  0.0043 -4.6480 3  101.7601360  59516140422 418 0    22 319 0      C-13-H3C(O)CH3
  157265.6633  0.0043 -4.6474 3  101.7601360  59516140422 518 0    22 419 0      C-13-H3C(O)CH3
  157268.3228  0.0024 -4.5353 3   29.4080184  59516140411 6 6 1    10 5 5 1      C-13-H3C(O)CH3
  157274.6946  0.0060 -7.2703 3   24.1619168  59516140410 5 5 1    10 2 8 1      C-13-H3C(O)CH3
  157275.1597  0.8944 -6.6949 3 1598.5298C24  595161404764531 2    764432 2      C-13-H3C(O)CH3
  157279.8938  0.0094 -5.0568 3  370.2869284  5951614043528 8 4    3527 9 4      C-13-H3C(O)CH3
  157287.7400  0.0475 -6.4179 3  684.5360396  595161404493317 3    493217 3      C-13-H3C(O)CH3
  157295.1050  0.0227 -7.5437 3  365.3911584  595161404362313 0    352610 0      C-13-H3C(O)CH3
  157300.8137  0.0991 -5.6558 3  866.7613452  595161404563224 3    563125 3      C-13-H3C(O)CH3
  157303.7340  0.0989 -5.6558 3  866.7614452  595161404563224 4    563125 4      C-13-H3C(O)CH3
  157312.8136  0.0028 -4.5356 3   29.4054184  59516140411 6 6 2    10 5 5 2      C-13-H3C(O)CH3
  157335.8305  0.0087 -5.7707 3   61.7612248  5951614041510 6 1    1411 3 1      C-13-H3C(O)CH3
  157341.1843  0.0083 -5.7527 3   61.7613248  5951614041510 6 2    1411 3 2      C-13-H3C(O)CH3
  157351.3273  0.7004 -6.6946 3 1598.5257C24  595161404764531 0    764432 0      C-13-H3C(O)CH3
  157358.6412  0.0077 -5.7085 3   73.4756264  5951614041612 5 1    1513 3 1      C-13-H3C(O)CH3
  157360.9653  0.0081 -4.7555 3  370.3107568  5951614043528 8 1    3527 9 1      C-13-H3C(O)CH3
  157384.2437  0.0102 -5.0561 3  370.3031284  5951614043528 7 4    3527 8 4      C-13-H3C(O)CH3
  157392.7234  0.0056 -6.0318 3   88.4932344  59516140421 418 2    21 319 2      C-13-H3C(O)CH3
  157392.7234  0.0056 -4.7604 3   88.4932344  59516140421 318 2    21 319 2      C-13-H3C(O)CH3
  157392.7234  0.0056 -4.7605 3   88.4932344  59516140421 418 2    21 219 2      C-13-H3C(O)CH3
  157392.7234  0.0056 -6.0324 3   88.4932344  59516140421 318 2    21 219 2      C-13-H3C(O)CH3
  157394.9913  0.0057 -4.7387 3   88.4938344  59516140421 318 1    21 319 1      C-13-H3C(O)CH3
  157394.9913  0.0057 -4.7387 3   88.4938344  59516140421 418 1    21 219 1      C-13-H3C(O)CH3
  157394.9913  0.0057 -7.5366 3   88.4938344  59516140421 318 1    21 219 1      C-13-H3C(O)CH3
  157401.8330  0.0080 -7.4404 3    8.3086 52  595161404 6 6 0 3     5 3 2 3      C-13-H3C(O)CH3
  157403.4517  0.0083 -4.7553 3  370.3345568  5951614043528 7 2    3527 8 2      C-13-H3C(O)CH3
  157420.1558  0.0057 -7.2637 3   24.0976168  59516140410 5 5 0    10 2 8 0      C-13-H3C(O)CH3
  157421.3338  0.0091 -5.0561 3  370.2942284  5951614043528 7 3    3527 9 3      C-13-H3C(O)CH3
  157428.5356  0.0067 -6.2556 3   60.9030248  59516140415 9 6 2    15 6 9 2      C-13-H3C(O)CH3
  157430.1239  0.0053 -5.9863 3   75.8423164  59516140420 218 3    20 119 3      C-13-H3C(O)CH3
  157430.1239  0.0053 -5.2557 3   75.8423164  59516140420 318 3    20 119 3      C-13-H3C(O)CH3
  157430.1239  0.0053 -5.9863 3   75.8423164  59516140420 318 3    20 219 3      C-13-H3C(O)CH3
  157430.1239  0.0053 -5.2557 3   75.8423164  59516140420 218 3    20 219 3      C-13-H3C(O)CH3
  157430.3862  0.0061 -5.3209 3   75.8423164  59516140420 318 4    20 119 4      C-13-H3C(O)CH3
  157430.3862  0.0061 -5.7433 3   75.8423164  59516140420 218 4    20 119 4      C-13-H3C(O)CH3
  157430.3862  0.0061 -5.7433 3   75.8423164  59516140420 318 4    20 219 4      C-13-H3C(O)CH3
  157430.3862  0.0061 -5.3209 3   75.8423164  59516140420 218 4    20 219 4      C-13-H3C(O)CH3
  157436.9569  0.3031 -5.6879 3 1045.6601984  595161404613922 2    613823 2      C-13-H3C(O)CH3
  157440.1567  0.0024 -4.5352 3   29.3486184  59516140411 6 6 0    10 5 5 0      C-13-H3C(O)CH3
  157440.6897  0.0079 -4.7553 3  370.3257568  5951614043528 8 2    3527 9 2      C-13-H3C(O)CH3
  157464.8154  0.0542 -6.9919 3  559.3741712  595161404443114 2    443014 2      C-13-H3C(O)CH3
  157467.3875  0.2012 -5.6876 3 1045.6597984  595161404613922 1    613823 1      C-13-H3C(O)CH3
  157486.0783  0.0067 -6.2510 3   60.8636248  59516140415 9 6 0    15 6 9 0      C-13-H3C(O)CH3
  157501.0731  0.0085 -4.7548 3  370.3179568  5951614043528 7 1    3527 8 1      C-13-H3C(O)CH3
  157503.3713  0.0067 -6.5641 3   60.9441124  59516140415 9 6 3    15 6 9 3      C-13-H3C(O)CH3
  157522.2405  0.0081 -4.7550 3  370.3493568  5951614043528 7 0    3527 8 0      C-13-H3C(O)CH3
  157522.2544  0.1841 -5.7051 3 1064.0031A00  595161404623626 0    623527 0      C-13-H3C(O)CH3
  157522.6213  0.0081 -4.7550 3  370.3493568  5951614043528 8 0    3527 9 0      C-13-H3C(O)CH3
  157544.9145  0.1035 -5.3538 3  866.7622904  595161404563224 2    563125 2      C-13-H3C(O)CH3
  157547.8549  0.0094 -6.5643 3   60.9441124  59516140415 9 6 4    15 6 9 4      C-13-H3C(O)CH3
  157548.8200  0.0594 -6.1603 3  631.8093380  595161404473215 3    473117 3      C-13-H3C(O)CH3
  157563.8470  0.1580 -5.8243 3  962.9186476  595161404593425 3    593326 3      C-13-H3C(O)CH3
  157566.0786  0.0647 -5.3537 3  866.7623904  595161404563224 1    563125 1      C-13-H3C(O)CH3
  157566.5370  0.1572 -5.8243 3  962.9186476  595161404593425 4    593326 4      C-13-H3C(O)CH3
  157567.2731  0.0032 -4.8235 3  302.0917276  595161404341519 4    341420 4      C-13-H3C(O)CH3
  157567.3105  0.0030 -4.8235 3  302.0917276  595161404341519 3    341420 3      C-13-H3C(O)CH3
  157568.5582  0.0032 -4.8235 3  302.0917276  595161404341619 4    341520 4      C-13-H3C(O)CH3
  157568.6008  0.0030 -4.8235 3  302.0918276  595161404341619 3    341520 3      C-13-H3C(O)CH3
  157574.5546  0.0030 -4.5224 3  302.1145552  595161404341519 2    341420 2      C-13-H3C(O)CH3
  157575.8426  0.0030 -4.5224 3  302.1145552  595161404341619 2    341520 2      C-13-H3C(O)CH3
  157580.8823  0.0068 -6.2586 3   60.9046248  59516140415 9 6 1    15 6 9 1      C-13-H3C(O)CH3
  157590.2037  0.0030 -4.5224 3  302.1170552  595161404341519 1    341420 1      C-13-H3C(O)CH3
  157591.4348  0.0030 -4.5224 3  302.1170552  595161404341619 1    341520 1      C-13-H3C(O)CH3
  157597.4648  0.0026 -4.5223 3  302.1397552  595161404341519 0    341420 0      C-13-H3C(O)CH3
  157598.6944  0.0026 -4.5223 3  302.1397552  595161404341619 0    341520 0      C-13-H3C(O)CH3
  157636.2005  0.0053 -4.7396 3   88.4427344  59516140421 418 0    21 319 0      C-13-H3C(O)CH3
  157636.2005  0.0053 -6.8381 3   88.4427344  59516140421 418 0    21 219 0      C-13-H3C(O)CH3
  157636.2005  0.0053 -6.8275 3   88.4427344  59516140421 318 0    21 319 0      C-13-H3C(O)CH3
  157636.2005  0.0053 -4.7396 3   88.4427344  59516140421 318 0    21 219 0      C-13-H3C(O)CH3
  157669.5764  0.0061 -5.5792 3   63.7374156  59516140419 218 3    19 119 3      C-13-H3C(O)CH3
  157669.5764  0.0061 -6.0320 3   63.7374156  59516140419 218 3    19 019 3      C-13-H3C(O)CH3
  157669.5764  0.0061 -5.5792 3   63.7374156  59516140419 118 3    19 019 3      C-13-H3C(O)CH3
  157669.5764  0.0061 -6.0320 3   63.7374156  59516140419 118 3    19 119 3      C-13-H3C(O)CH3
  157669.9439  0.0069 -5.4484 3   63.7374156  59516140419 118 4    19 019 4      C-13-H3C(O)CH3
  157669.9439  0.0069 -5.4484 3   63.7374156  59516140419 218 4    19 119 4      C-13-H3C(O)CH3
  157674.1399  0.0308 -5.1472 3  684.5276792  595161404493316 1    493217 1      C-13-H3C(O)CH3
  157696.2884  0.0068 -6.9993 3   75.7810328  59516140420 218 2    20 219 2      C-13-H3C(O)CH3
  157696.2884  0.0068 -4.8818 3   75.7810328  59516140420 218 2    20 119 2      C-13-H3C(O)CH3
  157696.2884  0.0068 -4.8818 3   75.7810328  59516140420 318 2    20 219 2      C-13-H3C(O)CH3
  157696.2884  0.0068 -6.9993 3   75.7810328  59516140420 318 2    20 119 2      C-13-H3C(O)CH3
  157697.5119  0.0069 -4.8823 3   75.7815328  59516140420 218 1    20 219 1      C-13-H3C(O)CH3
  157697.5119  0.0069 -6.9655 3   75.7815328  59516140420 218 1    20 119 1      C-13-H3C(O)CH3
  157697.5119  0.0069 -7.4010 3   75.7815328  59516140420 318 1    20 219 1      C-13-H3C(O)CH3
  157697.5119  0.0069 -4.8800 3   75.7815328  59516140420 318 1    20 119 1      C-13-H3C(O)CH3
  157714.0862  0.0379 -6.6610 3  559.3569712  595161404443114 1    443014 1      C-13-H3C(O)CH3
  157720.7872  0.0106 -6.1508 3   73.5307132  5951614041612 4 3    1513 2 3      C-13-H3C(O)CH3
  157726.7019  0.0927 -6.9596 3  916.6682920  595161404573721 1    573621 1      C-13-H3C(O)CH3
  157740.2438  0.0621 -6.0051 3  739.3461824  595161404513418 2    513318 2      C-13-H3C(O)CH3
  157745.0890  0.1030 -6.8473 3  916.6689920  595161404573721 2    573621 2      C-13-H3C(O)CH3
  157751.7509  0.1211 -6.8178 3  916.6874460  595161404573721 4    573621 4      C-13-H3C(O)CH3
  157766.1052  0.0104 -5.9820 3   45.1373108  59516140413 8 5 4    12 9 3 4      C-13-H3C(O)CH3
  157770.7820  0.0470 -5.4180 3  684.5360396  595161404493316 3    493217 3      C-13-H3C(O)CH3
  157786.1669  0.0481 -5.8617 3  631.7942760  595161404473215 1    473117 1      C-13-H3C(O)CH3
  157791.3358  0.0092 -6.0006 3   73.4501132  5951614041612 5 4    1513 3 4      C-13-H3C(O)CH3
  157806.1095  0.0689 -5.3526 3  866.7631904  595161404563224 0    563125 0      C-13-H3C(O)CH3
  157811.9889  0.0139 -7.2242 3  302.8522536  595161404332014 2    3223 9 2      C-13-H3C(O)CH3
  157832.6889  0.0524 -6.0124 3  739.3402824  595161404513418 1    513318 1      C-13-H3C(O)CH3
  157846.8159  0.0472 -7.4033 3  759.9159420  595161404523319 4    523221 4      C-13-H3C(O)CH3
  157858.1103  0.0373 -5.1360 3  684.5361792  595161404493316 2    493217 2      C-13-H3C(O)CH3
  157867.3295  0.0347 -5.2980 3  839.6066888  595161404553323 0    553224 0      C-13-H3C(O)CH3
  157875.7287  0.1100 -5.5219 3  962.9159952  595161404593425 1    593326 1      C-13-H3C(O)CH3
  157887.3959  0.1664 -5.5219 3  962.9174952  595161404593425 2    593326 2      C-13-H3C(O)CH3
  157890.6177  0.0027 -4.5826 3   18.0951 68  595161404 8 8 1 4     7 7 1 4      C-13-H3C(O)CH3
  157902.1359  0.0172 -6.5242 3   73.5246132  5951614041612 4 3    1513 3 3      C-13-H3C(O)CH3
  157921.7279  0.0174 -6.7350 3   18.1599 68  595161404 8 8 1 3     7 7 0 3      C-13-H3C(O)CH3
  157929.8792  0.0127 -7.2196 3  302.8727536  595161404332014 0    3223 9 0      C-13-H3C(O)CH3
  157943.4048  0.0329 -5.2976 3  839.6077888  595161404553323 1    553224 1      C-13-H3C(O)CH3
  157944.1991  0.0258 -5.2976 3  839.6070888  595161404553323 2    553224 2      C-13-H3C(O)CH3
  157960.2217  0.0082 -6.0966 3   63.6657312  59516140419 118 2    19 019 2      C-13-H3C(O)CH3
  157960.2217  0.0082 -5.1962 3   63.6657312  59516140419 218 2    19 019 2      C-13-H3C(O)CH3
  157960.2217  0.0082 -5.1962 3   63.6657312  59516140419 118 2    19 119 2      C-13-H3C(O)CH3
  157960.2217  0.0082 -6.0966 3   63.6657312  59516140419 218 2    19 119 2      C-13-H3C(O)CH3
  157960.4352  0.0083 -5.4560 3   63.6662312  59516140419 218 1    19 119 1      C-13-H3C(O)CH3
  157960.4352  0.0083 -5.4560 3   63.6662312  59516140419 118 1    19 019 1      C-13-H3C(O)CH3
  157960.4352  0.0083 -5.4363 3   63.6662312  59516140419 118 1    19 119 1      C-13-H3C(O)CH3
  157960.4352  0.0083 -5.4363 3   63.6662312  59516140419 218 1    19 019 1      C-13-H3C(O)CH3
  157963.0528  0.0065 -5.4582 3   75.7204328  59516140420 318 0    20 119 0      C-13-H3C(O)CH3
  157963.0528  0.0065 -5.0087 3   75.7204328  59516140420 318 0    20 219 0      C-13-H3C(O)CH3
  157963.0528  0.0065 -5.4582 3   75.7204328  59516140420 218 0    20 219 0      C-13-H3C(O)CH3
  157963.0528  0.0065 -5.0087 3   75.7204328  59516140420 218 0    20 119 0      C-13-H3C(O)CH3
  157981.8390  0.2632 -5.9838 3 1045.6698492  595161404613922 3    613823 3      C-13-H3C(O)CH3
  157987.2183  0.0020 -6.5250 3   20.0133 76  595161404 9 6 3 4     8 5 3 4      C-13-H3C(O)CH3
  157987.7046  0.0156 -6.9770 3  159.4893392  595161404241410 2    2317 7 2      C-13-H3C(O)CH3
  157997.6162  0.0132 -7.1627 3  283.3621520  595161404321914 2    3122 9 2      C-13-H3C(O)CH3
  158016.0117  0.0184 -5.5983 3  839.6081444  595161404553323 4    553224 4      C-13-H3C(O)CH3
  158027.8008  0.0196 -5.5982 3  839.6082444  595161404553323 3    553224 3      C-13-H3C(O)CH3
  158037.1539  0.0069 -6.6350 3    8.1671104  595161404 6 6 1 0     5 3 2 0      C-13-H3C(O)CH3
  158061.4756  0.1106 -6.4381 3  796.3243428  595161404533519 4    533419 4      C-13-H3C(O)CH3
  158063.7786  0.0023 -6.7612 3   19.9493152  595161404 9 6 3 1     8 5 3 1      C-13-H3C(O)CH3
  158066.1051  0.0025 -6.8617 3   19.9470152  595161404 9 6 3 2     8 5 3 2      C-13-H3C(O)CH3
  158076.6771  0.0126 -5.1721 3  286.7777244  5951614043027 3 4    3026 4 4      C-13-H3C(O)CH3
  158081.3926  0.0025 -4.5845 3   18.1546 68  595161404 8 8 1 3     7 7 1 3      C-13-H3C(O)CH3
  158084.1911  0.0024 -4.5845 3   18.1599 68  595161404 8 8 0 3     7 7 0 3      C-13-H3C(O)CH3
  158111.9572  0.0111 -7.1289 3  283.3820520  595161404321914 0    3122 9 0      C-13-H3C(O)CH3
  158112.7590  0.0054 -5.4402 3   61.7063248  5951614041510 6 0    1411 3 0      C-13-H3C(O)CH3
  158114.5198  0.3335 -5.9928 3 1045.6720492  595161404613922 4    613823 4      C-13-H3C(O)CH3
  158135.9533  0.0161 -7.4345 3  302.8465536  595161404332014 1    3223 9 1      C-13-H3C(O)CH3
  158153.1565  0.0345 -5.4099 3  684.5568396  595161404493316 4    493217 4      C-13-H3C(O)CH3
  158169.8504  0.0030 -4.2798 3   18.0708136  595161404 8 8 1 1     7 7 1 1      C-13-H3C(O)CH3
  158174.4989  0.0111 -5.1715 3  286.7643244  5951614043027 4 3    3026 5 3      C-13-H3C(O)CH3
  158187.0272  0.0065 -6.2119 3  119.2163344  595161404211110 0    2014 7 0      C-13-H3C(O)CH3
  158195.4868  0.1162 -5.5206 3  962.9147952  595161404593425 0    593326 0      C-13-H3C(O)CH3
  158204.7650  0.0029 -4.2796 3   18.0768136  595161404 8 8 1 2     7 7 1 2      C-13-H3C(O)CH3
  158217.5838  0.0742 -6.0022 3  631.7961760  595161404473215 2    473117 2      C-13-H3C(O)CH3
  158220.6204  0.0024 -4.3072 3   40.7014132  59516140416 116 3    15 015 3      C-13-H3C(O)CH3
  158220.6204  0.0024 -4.3072 3   40.7014132  59516140416 016 3    15 115 3      C-13-H3C(O)CH3
  158220.6204  0.0024 -5.7644 3   40.7014132  59516140416 016 3    15 015 3      C-13-H3C(O)CH3
  158220.6204  0.0024 -5.7644 3   40.7014132  59516140416 116 3    15 115 3      C-13-H3C(O)CH3
  158220.6278  0.0024 -4.3088 3   40.7014132  59516140416 116 4    15 015 4      C-13-H3C(O)CH3
  158220.6278  0.0024 -5.6563 3   40.7014132  59516140416 116 4    15 115 4      C-13-H3C(O)CH3
  158220.6278  0.0024 -5.7213 3   40.7014132  59516140416 016 4    15 015 4      C-13-H3C(O)CH3
  158220.6278  0.0024 -4.3115 3   40.7014132  59516140416 016 4    15 115 4      C-13-H3C(O)CH3
  158221.2915  0.0074 -5.9513 3   45.0704216  59516140413 8 5 2    12 9 3 2      C-13-H3C(O)CH3
  158227.3374  0.0028 -7.2003 3   40.6294264  59516140416 116 1    15 115 1      C-13-H3C(O)CH3
  158227.3374  0.0028 -6.0481 3   40.6294264  59516140416 016 1    15 015 1      C-13-H3C(O)CH3
  158227.3374  0.0028 -3.9914 3   40.6294264  59516140416 016 1    15 115 1      C-13-H3C(O)CH3
  158227.3374  0.0028 -3.9949 3   40.6294264  59516140416 116 1    15 015 1      C-13-H3C(O)CH3
  158227.4295  0.0026 -5.9942 3   40.6289264  59516140416 116 2    15 115 2      C-13-H3C(O)CH3
  158227.4295  0.0026 -5.9739 3   40.6289264  59516140416 016 2    15 015 2      C-13-H3C(O)CH3
  158227.4295  0.0026 -3.9957 3   40.6289264  59516140416 116 2    15 015 2      C-13-H3C(O)CH3
  158227.4295  0.0026 -3.9955 3   40.6289264  59516140416 016 2    15 115 2      C-13-H3C(O)CH3
  158234.1251  0.0025 -6.2916 3   40.5570264  59516140416 016 0    15 015 0      C-13-H3C(O)CH3
  158234.1251  0.0025 -3.9917 3   40.5570264  59516140416 016 0    15 115 0      C-13-H3C(O)CH3
  158234.1251  0.0025 -6.5763 3   40.5570264  59516140416 116 0    15 115 0      C-13-H3C(O)CH3
  158234.1251  0.0025 -3.9912 3   40.5570264  59516140416 116 0    15 015 0      C-13-H3C(O)CH3
  158243.8557  0.0172 -6.7337 3   18.1546 68  595161404 8 8 0 3     7 7 1 3      C-13-H3C(O)CH3
  158250.3800  0.0080 -5.1684 3   63.5947312  59516140419 218 0    19 119 0      C-13-H3C(O)CH3
  158250.3800  0.0080 -6.3836 3   63.5947312  59516140419 218 0    19 019 0      C-13-H3C(O)CH3
  158250.3800  0.0080 -5.1684 3   63.5947312  59516140419 118 0    19 019 0      C-13-H3C(O)CH3
  158250.3800  0.0080 -6.3836 3   63.5947312  59516140419 118 0    19 119 0      C-13-H3C(O)CH3
  158265.1319  0.0143 -7.2996 3  283.3588520  595161404321914 1    3122 9 1      C-13-H3C(O)CH3
  158275.7640  0.0020 -4.5803 3   18.2195 68  595161404 8 8 0 4     7 7 0 4      C-13-H3C(O)CH3
  158294.0511  2.4689 -7.2912 3 1912.9481D36  595161404835132 2    835033 2      C-13-H3C(O)CH3
  158314.3837  0.0102 -4.8704 3  286.8316488  5951614043027 3 2    3026 4 2      C-13-H3C(O)CH3
  158321.1396  0.0109 -4.8703 3  286.8128488  5951614043027 4 1    3026 4 1      C-13-H3C(O)CH3
  158321.2151  0.0318 -7.3315 3  791.0181856  595161404533419 1    533321 1      C-13-H3C(O)CH3
  158326.5146  0.1176 -6.5676 3  855.4296444  595161404553620 4    553520 4      C-13-H3C(O)CH3
  158327.6906  0.0078 -5.8941 3   45.0719216  59516140413 8 5 1    12 9 3 1      C-13-H3C(O)CH3
  158329.6369  0.0113 -5.1710 3  286.7751244  5951614043027 3 3    3026 4 3      C-13-H3C(O)CH3
  158364.3175  0.0026 -4.2787 3   18.1356136  595161404 8 8 0 1     7 7 0 1      C-13-H3C(O)CH3
  158366.8497  0.0627 -6.4429 3  559.3563356  595161404443114 3    443014 3      C-13-H3C(O)CH3
  158392.4441  0.0191 -7.1614 3  159.4873196  595161404241410 3    2317 7 3      C-13-H3C(O)CH3
  158395.3191  0.0028 -4.2785 3   18.1363136  595161404 8 8 0 2     7 7 0 2      C-13-H3C(O)CH3
  158412.1331  0.0107 -4.8698 3  286.8181488  5951614043027 4 2    3026 5 2      C-13-H3C(O)CH3
  158421.8401  0.0555 -7.1419 3  791.0184856  595161404533419 2    533321 2      C-13-H3C(O)CH3
  158426.6326  0.0120 -5.1704 3  286.7617244  5951614043027 4 4    3026 5 4      C-13-H3C(O)CH3
  158447.7215  0.0128 -6.2651 3  104.2325312  5951614041914 6 1    1911 8 1      C-13-H3C(O)CH3
  158458.3062  2.0772 -7.2905 3 1912.9442D36  595161404835132 0    835033 0      C-13-H3C(O)CH3
  158458.6484  0.0128 -5.0447 3  689.3627808  595161404502922 0    502823 0      C-13-H3C(O)CH3
  158463.2062  0.0126 -4.8991 3  559.3491712  595161404443113 0    443014 0      C-13-H3C(O)CH3
  158466.1746  0.0145 -5.0445 3  689.3525808  595161404502922 2    502823 2      C-13-H3C(O)CH3
  158470.4001  0.0072 -5.8031 3   61.7568124  5951614041510 6 3    1411 3 3      C-13-H3C(O)CH3
  158470.5857  0.0029 -4.2779 3   18.0530136  595161404 8 8 1 0     7 7 0 0      C-13-H3C(O)CH3
  158476.7199  0.0137 -5.0445 3  689.3547808  595161404502922 1    502823 1      C-13-H3C(O)CH3
  158483.5005  0.0151 -5.3453 3  689.3444404  595161404502922 4    502823 4      C-13-H3C(O)CH3
  158486.5035  0.0148 -5.3453 3  689.3444404  595161404502922 3    502823 3      C-13-H3C(O)CH3
  158490.3639  0.0071 -6.9454 3    8.2387104  595161404 6 6 0 1     5 3 2 1      C-13-H3C(O)CH3
  158496.4569  0.0029 -4.2778 3   18.0523136  595161404 8 8 0 0     7 7 1 0      C-13-H3C(O)CH3
  158503.0779  0.0657 -6.1606 3  796.3028856  595161404533519 2    533419 2      C-13-H3C(O)CH3
  158519.7792  0.1359 -5.5648 3  980.0713952  595161404593821 0    593722 0      C-13-H3C(O)CH3
  158526.8915  0.0073 -6.9495 3    8.2374104  595161404 6 6 0 2     5 3 2 2      C-13-H3C(O)CH3
  158528.4449  0.0065 -5.8148 3   59.9239124  59516140415 9 7 4    1410 4 4      C-13-H3C(O)CH3
  158545.4073  0.0600 -6.2276 3  796.2991856  595161404533519 1    533419 1      C-13-H3C(O)CH3
  158557.0007  0.0081 -6.2497 3  119.2140344  595161404211110 2    2014 7 2      C-13-H3C(O)CH3
  158557.4063  0.0739 -6.4422 3  855.4092888  595161404553620 2    553520 2      C-13-H3C(O)CH3
  158559.1064  0.0710 -6.5489 3  855.4074888  595161404553620 1    553520 1      C-13-H3C(O)CH3
  158561.0090  0.0107 -4.8696 3  286.8665488  5951614043027 3 0    3026 4 0      C-13-H3C(O)CH3
  158561.0093  0.0107 -4.8696 3  286.8665488  5951614043027 4 0    3026 5 0      C-13-H3C(O)CH3
  158564.1094  0.0486 -6.8120 3  739.3518412  595161404513418 3    513318 3      C-13-H3C(O)CH3
  158574.2319  0.0106 -4.8692 3  286.8101488  5951614043027 3 1    3026 5 1      C-13-H3C(O)CH3
  158585.3422  0.0126 -4.9060 3  559.3569712  595161404443113 1    443014 1      C-13-H3C(O)CH3
  158596.7628  0.0294 -5.1583 3  739.3260824  595161404513417 0    513318 0      C-13-H3C(O)CH3
  158617.1689  0.0114 -4.9019 3  559.3741712  595161404443113 2    443014 2      C-13-H3C(O)CH3
  158641.1866  0.0112 -5.2004 3  559.3856356  595161404443113 4    443014 4      C-13-H3C(O)CH3
  158648.8339  0.0138 -5.2247 3  559.3563356  595161404443113 3    443014 3      C-13-H3C(O)CH3
  158650.1411  0.8291 -6.4125 3 1447.0477B60  595161404724527 0    724428 0      C-13-H3C(O)CH3
  158655.9490  0.0651 -5.4713 3  939.6648936  595161404583623 0    583524 0      C-13-H3C(O)CH3
  158669.8462  0.0135 -4.9056 3  559.3250712  595161404443114 1    443015 1      C-13-H3C(O)CH3
  158670.3317  0.0564 -5.4256 3  910.9898920  595161404573622 0    573523 0      C-13-H3C(O)CH3
  158716.4897  0.0125 -4.8978 3  559.3396712  595161404443114 0    443015 0      C-13-H3C(O)CH3
  158730.4792  0.0071 -6.5124 3  119.2244172  595161404211110 3    2014 7 3      C-13-H3C(O)CH3
  158742.3710  0.0093 -5.0742 3  428.6246308  5951614043829 9 3    382810 3      C-13-H3C(O)CH3
  158747.5319  0.0030 -4.8037 3  281.7315268  595161404331419 4    331320 4      C-13-H3C(O)CH3
  158747.6005  0.0028 -4.8037 3  281.7315268  595161404331419 3    331320 3      C-13-H3C(O)CH3
  158747.9268  0.0030 -4.8037 3  281.7315268  595161404331519 4    331420 4      C-13-H3C(O)CH3
  158747.9973  0.0028 -4.8037 3  281.7315268  595161404331519 3    331420 3      C-13-H3C(O)CH3
  158765.7962  0.0159 -6.9770 3  159.4763392  595161404241410 1    2317 7 1      C-13-H3C(O)CH3
  158767.3331  0.0119 -7.2444 3  104.2522156  5951614041914 6 3    1911 8 3      C-13-H3C(O)CH3
  158767.6378  0.0028 -4.5024 3  281.7521536  595161404331419 2    331320 2      C-13-H3C(O)CH3
  158768.0348  0.0028 -4.5024 3  281.7521536  595161404331519 2    331420 2      C-13-H3C(O)CH3
  158781.8375  0.0028 -4.5025 3  281.7544536  595161404331419 1    331320 1      C-13-H3C(O)CH3
  158782.2154  0.0028 -4.5025 3  281.7544536  595161404331519 1    331420 1      C-13-H3C(O)CH3
  158801.8617  0.0025 -4.5022 3  281.7750536  595161404331419 0    331320 0      C-13-H3C(O)CH3
  158802.2401  0.0025 -4.5022 3  281.7750536  595161404331519 0    331420 0      C-13-H3C(O)CH3
  158822.0687  0.0146 -4.9010 3  559.3288712  595161404443114 2    443015 2      C-13-H3C(O)CH3
  158822.3161  0.0103 -5.0738 3  428.6401308  5951614043829 9 4    382810 4      C-13-H3C(O)CH3
  158822.8834  0.0087 -4.7730 3  428.6222616  595161404382910 1    382811 1      C-13-H3C(O)CH3
  158823.1982  0.0038 -4.6595 3  430.9726648  595161404402020 0    401921 0      C-13-H3C(O)CH3
  158828.9568  0.0047 -4.6593 3  430.9447648  595161404402020 2    401921 2      C-13-H3C(O)CH3
  158835.5042  0.0100 -5.0739 3  428.6024308  595161404382910 4    382811 4      C-13-H3C(O)CH3
  158840.4067  0.0087 -4.7729 3  428.6563616  5951614043829 9 2    382810 2      C-13-H3C(O)CH3
  158842.4383  0.0076 -6.5980 3   61.7444124  5951614041510 6 3    1411 4 3      C-13-H3C(O)CH3
  158850.9150  0.0041 -4.6593 3  430.9479648  595161404402020 1    401921 1      C-13-H3C(O)CH3
  158856.7562  0.0049 -4.9602 3  430.9200324  595161404402020 3    401921 3      C-13-H3C(O)CH3
  158856.9237  0.0049 -4.9602 3  430.9199324  595161404402020 4    401921 4      C-13-H3C(O)CH3
  158866.2490  0.0154 -5.2238 3  559.3396356  595161404443114 3    443015 3      C-13-H3C(O)CH3
  158873.5406  0.0173 -5.1994 3  559.3103356  595161404443114 4    443015 4      C-13-H3C(O)CH3
  158878.5949  0.0567 -5.4705 3  939.6737936  595161404583623 1    583524 1      C-13-H3C(O)CH3
  158880.3900  0.0669 -5.4705 3  939.6738936  595161404583623 2    583524 2      C-13-H3C(O)CH3
  158881.2793  0.0038 -4.6592 3  430.9728648  595161404402120 0    402021 0      C-13-H3C(O)CH3
  158886.2466  0.0976 -6.9868 3  791.0244428  595161404533419 4    533321 4      C-13-H3C(O)CH3
  158889.7686  0.0046 -4.6590 3  430.9449648  595161404402120 2    402021 2      C-13-H3C(O)CH3
  158902.2085  0.0088 -4.7726 3  428.6377616  5951614043829 9 1    382810 1      C-13-H3C(O)CH3
  158909.9596  0.0041 -4.6590 3  430.9481648  595161404402120 1    402021 1      C-13-H3C(O)CH3
  158916.5534  0.0097 -5.0735 3  428.6180308  595161404382910 3    382811 3      C-13-H3C(O)CH3
  158917.8478  0.0480 -5.4254 3  911.0013920  595161404573622 1    573523 1      C-13-H3C(O)CH3
  158918.5943  0.0048 -4.9598 3  430.9202324  595161404402120 3    402021 3      C-13-H3C(O)CH3
  158918.6195  0.0048 -4.9598 3  430.9201324  595161404402120 4    402021 4      C-13-H3C(O)CH3
  158920.2594  0.0085 -6.2607 3  119.2081344  595161404211110 1    2014 7 1      C-13-H3C(O)CH3
  158920.3516  0.0084 -4.7728 3  428.6538616  5951614043829 9 0    382810 0      C-13-H3C(O)CH3
  158924.6960  0.0084 -4.7728 3  428.6536616  595161404382910 0    382811 0      C-13-H3C(O)CH3
  158926.5747  0.0171 -7.5363 3  671.4339840  595161404521933 1    512230 1      C-13-H3C(O)CH3
  158931.1170  0.0191 -7.5342 3  671.4333840  595161404521933 2    512230 2      C-13-H3C(O)CH3
  158931.1171  0.0191 -7.5343 3  671.4333840  595161404522033 2    512130 2      C-13-H3C(O)CH3
  158933.0815  0.0064 -7.2359 3    8.3098 52  595161404 6 6 0 4     5 3 2 4      C-13-H3C(O)CH3
  158935.1928  0.0087 -4.7727 3  428.6342616  595161404382910 2    382811 2      C-13-H3C(O)CH3
  158938.0707  0.0640 -5.4255 3  911.0014920  595161404573622 2    573523 2      C-13-H3C(O)CH3
  158938.4326  0.0483 -6.4932 3  764.8322840  595161404523418 1    523320 1      C-13-H3C(O)CH3
  158947.7943  0.0101 -4.8305 3  553.0864728  595161404452421 2    452322 2      C-13-H3C(O)CH3
  158954.5008  1.0442 -6.4112 3 1447.0522B60  595161404724527 2    724428 2      C-13-H3C(O)CH3
  158957.4458  0.0106 -5.1313 3  553.0686364  595161404452421 3    452322 3      C-13-H3C(O)CH3
  158958.1224  0.0107 -5.1313 3  553.0685364  595161404452421 4    452322 4      C-13-H3C(O)CH3
  158969.2025  0.0060 -4.8305 3  553.1074728  595161404452421 0    452322 0      C-13-H3C(O)CH3
  158979.1957  0.0062 -4.8303 3  553.0895728  595161404452421 1    452322 1      C-13-H3C(O)CH3
  159009.2980  0.0053 -6.4521 3  203.1877456  595161404281216 1    271513 1      C-13-H3C(O)CH3
  159011.9141  0.0052 -6.7540 3  203.1751228  595161404281216 3    271513 3      C-13-H3C(O)CH3
  159012.3401  0.0058 -6.7540 3  203.1751228  595161404281216 4    271513 4      C-13-H3C(O)CH3
  159024.4061  0.0126 -6.2906 3  104.2231312  5951614041914 6 2    1911 8 2      C-13-H3C(O)CH3
  159051.4741  0.0423 -5.2222 3  739.3402824  595161404513417 1    513318 1      C-13-H3C(O)CH3
  159053.5516  1.9338 -7.2879 3 1912.9239D36  595161404835132 1    835033 1      C-13-H3C(O)CH3
  159067.1736  0.0048 -6.4481 3  203.1953456  595161404281216 0    271513 0      C-13-H3C(O)CH3
  159070.1856  0.0053 -6.4489 3  203.1827456  595161404281216 2    271513 2      C-13-H3C(O)CH3
  159074.5202  0.0040 -5.4483 3   59.8719248  59516140415 9 7 1    1410 4 1      C-13-H3C(O)CH3
  159079.6111  0.0445 -5.7711 3  939.6825468  595161404583623 4    583524 4      C-13-H3C(O)CH3
  159080.1562  0.1443 -5.5684 3  980.0849952  595161404593821 1    593722 1      C-13-H3C(O)CH3
  159080.4015  0.0039 -5.4378 3   59.8699248  59516140415 9 7 2    1410 4 2      C-13-H3C(O)CH3
  159090.9650  0.0025 -5.8211 3   10.4417 60  595161404 7 5 3 4     6 2 4 4      C-13-H3C(O)CH3
  159098.5083  0.0344 -5.2810 3  822.7441872  595161404543520 0    543421 0      C-13-H3C(O)CH3
  159113.4173  0.0115 -7.4867 3  507.8488364  595161404451728 4    442025 4      C-13-H3C(O)CH3
  159113.4384  0.0115 -7.4867 3  507.8488364  595161404451828 4    441925 4      C-13-H3C(O)CH3
  159113.4659  0.0115 -7.4868 3  507.8488364  595161404451728 3    442025 3      C-13-H3C(O)CH3
  159113.4871  0.0115 -7.4868 3  507.8488364  595161404451828 3    441925 3      C-13-H3C(O)CH3
  159114.5402  0.2279 -5.5695 3  980.0850952  595161404593821 2    593722 2      C-13-H3C(O)CH3
  159127.4746  0.0611 -5.7704 3  939.6831468  595161404583623 3    583524 3      C-13-H3C(O)CH3
  159127.7184  0.0436 -5.7282 3  911.0124460  595161404573622 4    573523 4      C-13-H3C(O)CH3
  159145.8066  0.0882 -6.3439 3  764.8335840  595161404523418 2    523320 2      C-13-H3C(O)CH3
  159148.2332  0.0667 -6.4385 3  559.3396356  595161404443113 3    443015 3      C-13-H3C(O)CH3
  159152.4854  0.0113 -7.1861 3  507.8738728  595161404451728 1    442025 1      C-13-H3C(O)CH3
  159152.5043  0.0113 -7.1861 3  507.8738728  595161404451828 1    441925 1      C-13-H3C(O)CH3
  159168.9459  0.0118 -7.1841 3  507.8719728  595161404451728 2    442025 2      C-13-H3C(O)CH3
  159168.9654  0.0118 -7.1841 3  507.8719728  595161404451828 2    441925 2      C-13-H3C(O)CH3
  159195.4372  0.0160 -7.3134 3   73.4869264  5951614041612 4 2    1513 3 2      C-13-H3C(O)CH3
  159195.4459  0.0589 -5.4764 3  739.3518412  595161404513417 3    513318 3      C-13-H3C(O)CH3
  159207.8581  0.0097 -7.1847 3  507.8968728  595161404451728 0    442025 0      C-13-H3C(O)CH3
  159207.8755  0.0097 -7.1847 3  507.8968728  595161404451828 0    441925 0      C-13-H3C(O)CH3
  159221.4700  0.0241 -5.2971 3  659.8404396  595161404492722 3    492623 3      C-13-H3C(O)CH3
  159223.0086  0.0243 -5.2971 3  659.8404396  595161404492722 4    492623 4      C-13-H3C(O)CH3
  159242.1778  0.0225 -5.1389 3  684.4380792  595161404493317 1    493218 1      C-13-H3C(O)CH3
  159242.6582  0.0699 -5.7243 3  911.0138460  595161404573622 3    573523 3      C-13-H3C(O)CH3
  159248.5168  0.0593 -5.2226 3  739.3461824  595161404513417 2    513318 2      C-13-H3C(O)CH3
  159257.4250  0.0315 -5.2912 3  822.7565872  595161404543520 1    543421 1      C-13-H3C(O)CH3
  159257.5906  0.0621 -7.3296 3  796.3126428  595161404533519 3    533419 3      C-13-H3C(O)CH3
  159259.6745  0.0754 -7.4628 3  608.8855372  595161404463215 4    463115 4      C-13-H3C(O)CH3
  159268.6978  0.0239 -4.9960 3  659.8510792  595161404492722 2    492623 2      C-13-H3C(O)CH3
  159271.7622  0.1008 -6.6096 3  631.7849380  595161404473215 4    473117 4      C-13-H3C(O)CH3
  159278.9871  0.0026 -5.4014 3   59.8292248  59516140415 9 7 0    1410 4 0      C-13-H3C(O)CH3
  159282.4491  0.0026 -5.8133 3   10.4415 60  595161404 7 5 3 3     6 2 4 3      C-13-H3C(O)CH3
  159285.7337  0.0401 -5.6175 3  822.7675436  595161404543520 4    543421 4      C-13-H3C(O)CH3
  159287.1599  0.0366 -5.2959 3  822.7574872  595161404543520 2    543421 2      C-13-H3C(O)CH3
  159288.5519  0.0254 -5.1285 3  684.4401792  595161404493317 2    493218 2      C-13-H3C(O)CH3
  159302.2402  0.0103 -5.1241 3  491.6316332  595161404413011 3    412912 3      C-13-H3C(O)CH3
  159306.6589  0.0317 -5.4040 3  684.4352396  595161404493317 4    493218 4      C-13-H3C(O)CH3
  159307.9026  0.0129 -4.9958 3  659.8535792  595161404492722 1    492623 1      C-13-H3C(O)CH3
  159319.4754  0.0078 -5.7265 3   61.6953248  5951614041510 6 2    1411 4 2      C-13-H3C(O)CH3
  159320.9119  0.0101 -5.1229 3  491.6549332  595161404413011 4    412912 4      C-13-H3C(O)CH3
  159328.9565  0.0095 -4.8221 3  491.6562664  595161404413011 2    412912 2      C-13-H3C(O)CH3
  159333.4352  0.0105 -4.8222 3  491.6140664  595161404413012 1    412913 1      C-13-H3C(O)CH3
  159341.0125  0.0096 -4.8220 3  491.6392664  595161404413011 0    412912 0      C-13-H3C(O)CH3
  159341.1282  0.0092 -5.0673 3  353.5963276  5951614043428 7 3    3427 8 3      C-13-H3C(O)CH3
  159342.8138  0.0099 -5.0675 3  353.5923276  5951614043428 7 4    3427 8 4      C-13-H3C(O)CH3
  159346.6360  0.0197 -5.0666 3  684.4341792  595161404493317 0    493218 0      C-13-H3C(O)CH3
  159348.8836  0.0097 -4.8221 3  491.6374664  595161404413011 1    412912 1      C-13-H3C(O)CH3
  159353.5866  0.0137 -4.9958 3  659.8640792  595161404492722 0    492623 0      C-13-H3C(O)CH3
  159374.9963  0.0115 -6.1765 3  104.2522156  5951614041914 5 3    1911 8 3      C-13-H3C(O)CH3
  159378.4220  0.0096 -4.8218 3  491.6378664  595161404413012 0    412913 0      C-13-H3C(O)CH3
  159381.4647  0.7840 -6.4094 3 1447.0433B60  595161404724527 1    724428 1      C-13-H3C(O)CH3
  159381.8242  0.0142 -5.2574 3  272.6312236  5951614042927 2 4    2926 3 4      C-13-H3C(O)CH3
  159384.2522  0.0030 -5.7076 3   59.8964124  59516140415 9 7 3    1410 4 3      C-13-H3C(O)CH3
  159420.0256  0.0032 -5.5140 3   10.3724120  595161404 7 5 3 1     6 2 4 1      C-13-H3C(O)CH3
  159445.5333  0.0122 -5.1225 3  491.5974332  595161404413012 4    412913 4      C-13-H3C(O)CH3
  159457.1841  0.0035 -5.5141 3   10.3716120  595161404 7 5 3 2     6 2 4 2      C-13-H3C(O)CH3
  159465.0134  0.0112 -5.1235 3  491.6207332  595161404413012 3    412913 3      C-13-H3C(O)CH3
  159466.4205  0.0415 -5.2471 3  796.2834856  595161404533518 0    533419 0      C-13-H3C(O)CH3
  159469.1266  0.0085 -4.7660 3  353.6186552  5951614043428 7 1    3427 8 1      C-13-H3C(O)CH3
  159473.3384  0.0105 -4.8216 3  491.6221664  595161404413012 2    412913 2      C-13-H3C(O)CH3
  159492.3043  0.0911 -5.4503 3  916.6528920  595161404573720 0    573621 0      C-13-H3C(O)CH3
  159512.4768  0.0106 -5.0665 3  353.6024276  5951614043428 6 4    3427 7 4      C-13-H3C(O)CH3
  159515.3971  0.0094 -5.0667 3  353.5984276  5951614043428 6 3    3427 7 3      C-13-H3C(O)CH3
  159518.3911  0.0124 -5.2567 3  272.6146236  5951614042927 3 3    2926 4 3      C-13-H3C(O)CH3
  159519.8793  0.0086 -4.7658 3  353.6392552  5951614043428 6 2    3427 7 2      C-13-H3C(O)CH3
  159522.5549  0.0081 -4.7659 3  353.6354552  5951614043428 7 2    3427 8 2      C-13-H3C(O)CH3
  159541.1022  0.0425 -6.6511 3  559.3250712  595161404443113 1    443015 1      C-13-H3C(O)CH3
  159546.9800  0.1923 -5.8613 3  980.0972476  595161404593821 3    593722 3      C-13-H3C(O)CH3
  159560.0221  0.0072 -5.7089 3   61.6870248  5951614041510 6 1    1411 4 1      C-13-H3C(O)CH3
  159564.3511  0.0158 -7.4171 3   73.4756264  5951614041612 4 1    1513 3 1      C-13-H3C(O)CH3
  159568.5301  0.0056 -4.8274 3  553.1102728  595161404452521 0    452422 0      C-13-H3C(O)CH3
  159573.3091  0.0082 -4.8272 3  553.0894728  595161404452521 2    452422 2      C-13-H3C(O)CH3
  159593.2223  0.0062 -4.8271 3  553.0924728  595161404452521 1    452422 1      C-13-H3C(O)CH3
  159598.0489  0.0087 -5.1280 3  553.0716364  595161404452521 4    452422 4      C-13-H3C(O)CH3
  159598.4687  0.0086 -5.1280 3  553.0716364  595161404452521 3    452422 3      C-13-H3C(O)CH3
  159627.7344  0.0123 -6.6094 3  119.1949172  595161404211110 4    2014 7 4      C-13-H3C(O)CH3
  159627.8951  0.0117 -4.9557 3  272.6896472  5951614042927 2 2    2926 3 2      C-13-H3C(O)CH3
  159640.7841  0.0088 -4.7653 3  353.6246552  5951614043428 6 1    3427 7 1      C-13-H3C(O)CH3
  159650.0119  0.0085 -4.7656 3  353.6614552  5951614043428 6 0    3427 7 0      C-13-H3C(O)CH3
  159650.0716  0.0085 -4.7656 3  353.6614552  5951614043428 7 0    3427 8 0      C-13-H3C(O)CH3
  159660.6666  0.0126 -4.9555 3  272.6708472  5951614042927 3 1    2926 3 1      C-13-H3C(O)CH3
  159661.3343  0.0126 -5.2562 3  272.6286236  5951614042927 2 3    2926 3 3      C-13-H3C(O)CH3
  159667.0625  0.0513 -5.5804 3  822.7723436  595161404543520 3    543421 3      C-13-H3C(O)CH3
  159669.1321  0.0573 -5.5058 3  739.3679412  595161404513417 4    513318 4      C-13-H3C(O)CH3
  159683.1829  0.9439 -6.7091 3 1447.0480580  595161404724527 4    724428 4      C-13-H3C(O)CH3
  159684.1385  0.9110 -6.7092 3 1447.0479580  595161404724527 3    724428 3      C-13-H3C(O)CH3
  159688.8935  0.0325 -5.4079 3  684.4559396  595161404493317 3    493218 3      C-13-H3C(O)CH3
  159692.5294  0.0036 -5.5116 3   10.3025120  595161404 7 5 3 0     6 2 4 0      C-13-H3C(O)CH3
  159729.2843  0.0238 -7.2888 3  159.4433196  595161404241410 4    2317 7 4      C-13-H3C(O)CH3
  159764.8316  0.0121 -4.9549 3  272.6729472  5951614042927 3 2    2926 4 2      C-13-H3C(O)CH3
  159770.5320  0.2649 -5.8818 3  980.1007476  595161404593821 4    593722 4      C-13-H3C(O)CH3
  159788.9282  0.0609 -5.3444 3  855.3912888  595161404553619 0    553520 0      C-13-H3C(O)CH3
  159797.3705  0.0131 -5.2555 3  272.6120236  5951614042927 3 4    2926 4 4      C-13-H3C(O)CH3
  159802.1270  0.0029 -4.7876 3  261.9486260  595161404321319 4    321220 4      C-13-H3C(O)CH3
  159802.2209  0.0027 -4.7876 3  261.9486260  595161404321319 3    321220 3      C-13-H3C(O)CH3
  159802.2415  0.0029 -4.7875 3  261.9486260  595161404321419 4    321320 4      C-13-H3C(O)CH3
  159802.3361  0.0027 -4.7876 3  261.9486260  595161404321419 3    321320 3      C-13-H3C(O)CH3
  159836.7485  0.0027 -4.4862 3  261.9664520  595161404321319 2    321220 2      C-13-H3C(O)CH3
  159836.8640  0.0027 -4.4862 3  261.9664520  595161404321419 2    321320 2      C-13-H3C(O)CH3
  159847.3072  0.0183 -7.3072 3  287.4529520  595161404322012 0    3123 9 0      C-13-H3C(O)CH3
  159849.6381  0.0027 -4.4863 3  261.9685520  595161404321319 1    321220 1      C-13-H3C(O)CH3
  159849.7476  0.0027 -4.4863 3  261.9685520  595161404321419 1    321320 1      C-13-H3C(O)CH3
  159860.4549  0.0035 -5.3615 3   14.6790 68  595161404 8 5 3 3     7 4 4 3      C-13-H3C(O)CH3
  159884.1202  0.0024 -4.4859 3  261.9863520  595161404321319 0    321220 0      C-13-H3C(O)CH3
  159884.2301  0.0024 -4.4859 3  261.9863520  595161404321419 0    321320 0      C-13-H3C(O)CH3
  159909.2339  0.0123 -4.9547 3  272.7291472  5951614042927 3 0    2926 4 0      C-13-H3C(O)CH3
  159909.2339  0.0123 -4.9547 3  272.7291472  5951614042927 2 0    2926 3 0      C-13-H3C(O)CH3
  159913.4856  0.0035 -5.0578 3   14.6129136  595161404 8 5 3 2     7 4 4 2      C-13-H3C(O)CH3
  159930.8385  0.1401 -6.4159 3  764.8394420  595161404523418 4    523320 4      C-13-H3C(O)CH3
  159935.0696  0.0043 -5.3648 3   14.6785 68  595161404 8 5 3 4     7 4 4 4      C-13-H3C(O)CH3
  159937.8416  0.0571 -5.2934 3  796.2991856  595161404533518 1    533419 1      C-13-H3C(O)CH3
  159940.8208  0.0121 -4.9543 3  272.6681472  5951614042927 2 1    2926 4 1      C-13-H3C(O)CH3
  159945.6781  0.0087 -5.8011 3  137.4444180  5951614042215 7 3    221210 3      C-13-H3C(O)CH3
  159956.2250  0.0078 -5.2016 3   44.9671216  59516140413 8 5 0    12 9 4 0      C-13-H3C(O)CH3
  159962.5222  0.0167 -7.3499 3   58.5514116  5951614041412 3 4    14 9 5 4      C-13-H3C(O)CH3
  159965.7212  0.0035 -5.0591 3   14.6135136  595161404 8 5 3 1     7 4 4 1      C-13-H3C(O)CH3
  159974.4223  0.0616 -6.9782 3  559.3288712  595161404443113 2    443015 2      C-13-H3C(O)CH3
  159982.0945  0.0034 -5.0548 3   14.5478136  595161404 8 5 3 0     7 4 4 0      C-13-H3C(O)CH3
  160006.8009  0.1042 -5.4619 3  916.6682920  595161404573720 1    573621 1      C-13-H3C(O)CH3
  160012.5279  0.0086 -7.1641 3  366.6105308  595161404381523 4    371820 4      C-13-H3C(O)CH3
  160012.5698  0.0085 -7.1641 3  366.6105308  595161404381523 3    371820 3      C-13-H3C(O)CH3
  160015.6475  0.0086 -7.1641 3  366.6104308  595161404381623 4    371720 4      C-13-H3C(O)CH3
  160015.7008  0.0085 -7.1641 3  366.6104308  595161404381623 3    371720 3      C-13-H3C(O)CH3
  160016.5913  0.0086 -6.8632 3  366.6391616  595161404381523 1    371820 1      C-13-H3C(O)CH3
  160019.5543  0.0086 -6.8631 3  366.6391616  595161404381623 1    371720 1      C-13-H3C(O)CH3
  160033.3034  0.0269 -5.2339 3  807.3416872  595161404543223 0    543124 0      C-13-H3C(O)CH3
  160050.7645  0.0087 -6.8606 3  366.6359616  595161404381523 2    371820 2      C-13-H3C(O)CH3
  160051.4911  0.0106 -7.4292 3  295.4487268  595161404331816 3    322111 3      C-13-H3C(O)CH3
  160053.8515  0.0087 -6.8606 3  366.6358616  595161404381623 2    371720 2      C-13-H3C(O)CH3
  160054.6529  0.0075 -6.8607 3  366.6645616  595161404381523 0    371820 0      C-13-H3C(O)CH3
  160057.5756  0.0075 -6.8607 3  366.6644616  595161404381623 0    371720 0      C-13-H3C(O)CH3
  160070.4418  0.0217 -5.2336 3  807.3399872  595161404543223 2    543124 2      C-13-H3C(O)CH3
  160071.1080  0.0098 -7.4278 3  295.4481268  595161404331816 4    322111 4      C-13-H3C(O)CH3
  160073.4132  0.0267 -5.2336 3  807.3409872  595161404543223 1    543124 1      C-13-H3C(O)CH3
  160095.4669  0.0105 -7.1221 3  295.4679536  595161404331816 2    322111 2      C-13-H3C(O)CH3
  160100.3507  0.1719 -5.4656 3  916.6689920  595161404573720 2    573621 2      C-13-H3C(O)CH3
  160108.4419  0.0196 -5.5344 3  807.3391436  595161404543223 4    543124 4      C-13-H3C(O)CH3
  160115.5182  0.0194 -5.5343 3  807.3392436  595161404543223 3    543124 3      C-13-H3C(O)CH3
  160121.7064  0.0899 -5.3013 3  796.3028856  595161404533518 2    533419 2      C-13-H3C(O)CH3
  160145.0585  0.0111 -7.2294 3   49.6559108  5951614041311 3 4    13 8 6 4      C-13-H3C(O)CH3
  160155.7446  0.0607 -6.7113 3  608.8665744  595161404463215 2    463115 2      C-13-H3C(O)CH3
  160158.0318  0.0757 -5.5523 3  796.3126428  595161404533518 3    533419 3      C-13-H3C(O)CH3
  160171.9356  0.0612 -6.4024 3  684.4559396  595161404493316 3    493218 3      C-13-H3C(O)CH3
  160199.8342  0.0102 -7.1236 3  295.4696536  595161404331816 1    322111 1      C-13-H3C(O)CH3
  160237.5321  0.0101 -7.1182 3  295.4890536  595161404331816 0    322111 0      C-13-H3C(O)CH3
  160271.1601  0.0077 -5.5175 3  137.4386360  5951614042215 7 1    221210 1      C-13-H3C(O)CH3
  160275.3199  0.0767 -5.3706 3  855.4074888  595161404553619 1    553520 1      C-13-H3C(O)CH3
  160329.4906  1.0487 -7.3509 3 1950.4867D52  595161404845034 1    844935 1      C-13-H3C(O)CH3
  160359.8264  0.0550 -5.8794 3  684.4380792  595161404493316 1    493218 1      C-13-H3C(O)CH3
  160390.7934  0.7170 -6.7502 3 1474.6312588  595161404734330 4    734231 4      C-13-H3C(O)CH3
  160391.4754  0.7188 -6.7502 3 1474.6311588  595161404734330 3    734231 3      C-13-H3C(O)CH3
  160396.0462  0.0092 -5.8497 3  137.4451180  5951614042215 7 4    221210 4      C-13-H3C(O)CH3
  160398.0802  0.0448 -6.4297 3  608.8507744  595161404463215 1    463115 1      C-13-H3C(O)CH3
  160403.7759  0.1393 -5.7477 3  916.6820460  595161404573720 3    573621 3      C-13-H3C(O)CH3
  160421.4241  0.1275 -5.3782 3  855.4092888  595161404553619 2    553520 2      C-13-H3C(O)CH3
  160438.8509  0.0076 -5.5103 3  137.4302360  5951614042215 7 2    221210 2      C-13-H3C(O)CH3
  160442.8998  1.0518 -7.3508 3 1950.5096D52  595161404845034 0    844935 0      C-13-H3C(O)CH3
  160484.1087  0.0073 -5.4971 3   45.0447108  59516140413 8 5 3    12 9 4 3      C-13-H3C(O)CH3
  160511.9400  0.0085 -5.9298 3   61.6808124  5951614041510 6 4    1411 4 4      C-13-H3C(O)CH3
  160512.7132  0.0065 -5.4970 3  137.4242360  5951614042215 7 0    221210 0      C-13-H3C(O)CH3
  160513.8387  0.0092 -5.2836 3   44.9940216  59516140413 8 5 2    12 9 4 2      C-13-H3C(O)CH3
  160516.1652  1.2787 -7.3506 3 1950.5128D52  595161404845034 2    844935 2      C-13-H3C(O)CH3
  160518.0601  0.0128 -6.0438 3  104.2325312  5951614041914 5 1    1911 8 1      C-13-H3C(O)CH3
  160535.0712  0.0056 -6.4427 3  203.1369456  595161404281316 1    271413 1      C-13-H3C(O)CH3
  160537.7648  0.0162 -5.3952 3  258.9938228  5951614042827 1 4    2826 2 4      C-13-H3C(O)CH3
  160539.9059  0.0064 -6.7446 3  203.1242228  595161404281316 4    271413 4      C-13-H3C(O)CH3
  160543.7025  0.0058 -6.7446 3  203.1241228  595161404281316 3    271413 3      C-13-H3C(O)CH3
  160549.9135  0.5705 -6.4486 3 1474.6257B76  595161404734330 1    734231 1      C-13-H3C(O)CH3
  160569.3758  0.0102 -5.8423 3  104.2030312  5951614041914 5 0    1911 8 0      C-13-H3C(O)CH3
  160586.0658  0.1015 -5.6441 3  855.4216444  595161404553619 3    553520 3      C-13-H3C(O)CH3
  160627.6343  0.0049 -6.4385 3  203.1434456  595161404281316 0    271413 0      C-13-H3C(O)CH3
  160635.5081  0.0056 -6.4393 3  203.1306456  595161404281316 2    271413 2      C-13-H3C(O)CH3
  160654.9308  0.0936 -5.6035 3  796.3243428  595161404533518 4    533419 4      C-13-H3C(O)CH3
  160713.4167  0.0141 -5.3944 3  258.9745228  5951614042827 2 3    2826 3 3      C-13-H3C(O)CH3
  160735.9265  0.0868 -5.9401 3  684.4401792  595161404493316 2    493218 2      C-13-H3C(O)CH3
  160736.7800  0.0035 -4.6222 3  407.1483632  595161404391920 0    391821 0      C-13-H3C(O)CH3
  160741.5727  0.2024 -5.7853 3  916.6874460  595161404573720 4    573621 4      C-13-H3C(O)CH3
  160742.5398  0.0042 -4.6221 3  407.1198632  595161404391920 2    391821 2      C-13-H3C(O)CH3
  160744.6661  0.0029 -4.7755 3  242.7453252  595161404311219 4    311120 4      C-13-H3C(O)CH3
  160744.6973  0.0029 -4.7755 3  242.7453252  595161404311319 4    311220 4      C-13-H3C(O)CH3
  160744.7790  0.0025 -4.7755 3  242.7453252  595161404311219 3    311120 3      C-13-H3C(O)CH3
  160744.8104  0.0025 -4.7755 3  242.7453252  595161404311319 3    311220 3      C-13-H3C(O)CH3
  160758.6815  0.0035 -4.6221 3  407.1484632  595161404392020 0    391921 0      C-13-H3C(O)CH3
  160761.9064  0.0039 -4.6221 3  407.1228632  595161404391920 1    391821 1      C-13-H3C(O)CH3
  160765.5294  0.0042 -4.6220 3  407.1198632  595161404392020 2    391921 2      C-13-H3C(O)CH3
  160767.7546  0.0044 -4.9230 3  407.0942316  595161404391920 3    391821 3      C-13-H3C(O)CH3
  160767.8485  0.0044 -4.9230 3  407.0942316  595161404391920 4    391821 4      C-13-H3C(O)CH3
  160770.4109  0.0143 -6.6268 3  113.1878312  5951614041917 3 0    1818 0 0      C-13-H3C(O)CH3
  160770.4680  0.0143 -6.6268 3  113.1878312  5951614041917 2 0    1818 1 0      C-13-H3C(O)CH3
  160777.2608  0.0125 -6.0336 3  104.2231312  5951614041914 5 2    1911 8 2      C-13-H3C(O)CH3
  160780.5049  0.7642 -6.4478 3 1474.6394B76  595161404734330 2    734231 2      C-13-H3C(O)CH3
  160784.1510  0.0039 -4.6220 3  407.1229632  595161404392020 1    391921 1      C-13-H3C(O)CH3
  160789.7302  0.0135 -5.0935 3  259.0567456  5951614042827 1 2    2826 2 2      C-13-H3C(O)CH3
  160791.1116  0.0044 -4.9228 3  407.0943316  595161404392020 3    391921 3      C-13-H3C(O)CH3
  160791.1440  0.0044 -4.9228 3  407.0943316  595161404392020 4    391921 4      C-13-H3C(O)CH3
  160795.4204  0.0025 -4.4741 3  242.7597504  595161404311219 2    311120 2      C-13-H3C(O)CH3
  160795.4520  0.0025 -4.4741 3  242.7597504  595161404311319 2    311220 2      C-13-H3C(O)CH3
  160806.1666  0.0087 -5.2936 3   44.9893216  59516140413 8 5 1    12 9 4 1      C-13-H3C(O)CH3
  160807.0954  0.0026 -4.4741 3  242.7615504  595161404311219 1    311120 1      C-13-H3C(O)CH3
  160807.1253  0.0026 -4.4741 3  242.7615504  595161404311319 1    311220 1      C-13-H3C(O)CH3
  160842.2178  0.0142 -5.3940 3  258.9916228  5951614042827 1 3    2826 2 3      C-13-H3C(O)CH3
  160847.9693  0.0148 -5.0932 3  259.0383456  5951614042827 2 1    2826 2 1      C-13-H3C(O)CH3
  160851.4506  0.0075 -5.7796 3  100.2003312  5951614041912 7 2    19 910 2      C-13-H3C(O)CH3
  160857.6560  0.0024 -4.4736 3  242.7759504  595161404311219 0    311120 0      C-13-H3C(O)CH3
  160857.6860  0.0024 -4.4736 3  242.7759504  595161404311319 0    311220 0      C-13-H3C(O)CH3
  160868.5768  0.0056 -5.7756 3  100.1807312  5951614041912 7 0    19 910 0      C-13-H3C(O)CH3
  160895.3072  0.0046 -7.0140 3   38.0760100  59516140412 8 5 4    12 5 8 4      C-13-H3C(O)CH3
  160902.5137  0.0175 -6.3818 3  104.2533156  5951614041914 5 4    1911 8 4      C-13-H3C(O)CH3
  160940.5138  0.5910 -6.4472 3 1474.6339B76  595161404734330 0    734231 0      C-13-H3C(O)CH3
  160948.6120  0.0093 -6.0872 3  100.2232156  5951614041912 7 3    19 910 3      C-13-H3C(O)CH3
  160966.1824  0.0138 -5.0926 3  259.0373456  5951614042827 2 2    2826 3 2      C-13-H3C(O)CH3
  160989.8728  0.0071 -5.7829 3  100.2036312  5951614041912 7 1    19 910 1      C-13-H3C(O)CH3
  161001.3700  0.0050 -7.2572 3   30.8566 92  59516140411 7 5 4    11 4 8 4      C-13-H3C(O)CH3
  161002.4125  0.0084 -6.0886 3  100.2234156  5951614041912 7 4    19 910 4      C-13-H3C(O)CH3
  161017.7069  0.0145 -5.3931 3  258.9723228  5951614042827 2 4    2826 3 4      C-13-H3C(O)CH3
  161025.7799  0.0128 -6.6244 3  113.1977312  5951614041917 2 2    1818 0 2      C-13-H3C(O)CH3
  161029.3140  0.1435 -5.6960 3  855.4296444  595161404553619 4    553520 4      C-13-H3C(O)CH3
  161076.5008  0.0076 -6.6227 3  162.7336204  595161404251214 4    241311 4      C-13-H3C(O)CH3
  161077.2530  0.0038 -7.0085 3   38.0759100  59516140412 8 5 3    12 5 8 3      C-13-H3C(O)CH3
  161078.3197  0.0041 -7.2560 3   30.8566 92  59516140411 7 5 3    11 4 8 3      C-13-H3C(O)CH3
  161089.8782  0.0066 -6.6227 3  162.7331204  595161404251214 3    241311 3      C-13-H3C(O)CH3
  161102.7031  0.0143 -5.0925 3  259.1011456  5951614042827 1 0    2826 2 0      C-13-H3C(O)CH3
  161102.7031  0.0143 -5.0925 3  259.1011456  5951614042827 2 0    2826 3 0      C-13-H3C(O)CH3
  161111.5508  0.0060 -6.3204 3  162.7355408  595161404251214 1    241311 1      C-13-H3C(O)CH3
  161132.3952  0.0143 -6.6249 3  113.1111312  5951614041917 3 1    1818 1 1      C-13-H3C(O)CH3
  161139.9069  0.0655 -6.2423 3  608.8542372  595161404463215 3    463115 3      C-13-H3C(O)CH3
  161153.4166  0.0155 -4.9568 3  608.8372744  595161404463214 0    463115 0      C-13-H3C(O)CH3
  161153.5774  0.0140 -5.0920 3  259.0360456  5951614042827 1 1    2826 3 1      C-13-H3C(O)CH3
  161156.8309  0.0137 -6.6239 3  113.1814312  5951614041917 2 1    1818 0 1      C-13-H3C(O)CH3
  161168.6524  0.0107 -5.0892 3  337.4273268  5951614043328 6 4    3327 7 4      C-13-H3C(O)CH3
  161204.0106  0.0098 -5.0889 3  337.4269268  5951614043328 6 3    3327 7 3      C-13-H3C(O)CH3
  161219.9659  0.0146 -6.6237 3  113.1211312  5951614041917 3 2    1818 1 2      C-13-H3C(O)CH3
  161274.8900  0.0059 -6.3163 3  162.7271408  595161404251214 2    241311 2      C-13-H3C(O)CH3
  161281.3985  0.0041 -6.7052 3   38.0227200  59516140412 8 5 1    12 5 8 1      C-13-H3C(O)CH3
  161301.2058  0.0053 -6.3150 3  162.7294408  595161404251214 0    241311 0      C-13-H3C(O)CH3
  161312.1738  0.0044 -6.7034 3   38.0218200  59516140412 8 5 2    12 5 8 2      C-13-H3C(O)CH3
  161312.3052  0.0046 -6.9510 3   30.7980184  59516140411 7 5 1    11 4 8 1      C-13-H3C(O)CH3
  161315.6310  0.0093 -5.0677 3  410.3905300  5951614043729 9 3    3728 9 3      C-13-H3C(O)CH3
  161317.7545  0.0048 -6.9493 3   30.7973184  59516140411 7 5 2    11 4 8 2      C-13-H3C(O)CH3
  161337.3686  0.0092 -4.7876 3  337.4569536  5951614043328 6 1    3327 7 1      C-13-H3C(O)CH3
  161342.7048  0.0162 -4.9708 3  608.8507744  595161404463214 1    463115 1      C-13-H3C(O)CH3
  161363.8893  0.0087 -4.7876 3  337.4748536  5951614043328 6 2    3327 6 2      C-13-H3C(O)CH3
  161371.8332  0.0101 -5.0883 3  337.4327268  5951614043328 5 3    3327 6 3      C-13-H3C(O)CH3
  161379.6071  0.0098 -5.0675 3  410.3736300  5951614043729 9 4    372810 4      C-13-H3C(O)CH3
  161385.4635  0.0149 -6.9235 3  113.1209156  5951614041917 3 3    1818 0 3      C-13-H3C(O)CH3
  161393.7396  0.0141 -4.9635 3  608.8665744  595161404463214 2    463115 2      C-13-H3C(O)CH3
  161398.6722  0.0092 -4.7873 3  337.4743536  5951614043328 5 2    3327 7 2      C-13-H3C(O)CH3
  161406.0521  0.0111 -5.0880 3  337.4322268  5951614043328 5 4    3327 6 4      C-13-H3C(O)CH3
  161411.8089  0.0164 -6.9225 3  113.1913156  5951614041917 2 4    1818 0 4      C-13-H3C(O)CH3
  161416.8403  0.0085 -4.7664 3  410.3947600  5951614043729 9 1    372810 1      C-13-H3C(O)CH3
  161427.0443  0.0108 -5.0671 3  410.4044300  5951614043729 8 4    3728 9 4      C-13-H3C(O)CH3
  161437.7659  0.0205 -5.3040 3  608.8542372  595161404463214 3    463115 3      C-13-H3C(O)CH3
  161439.0120  0.0088 -4.7663 3  410.4259600  5951614043729 8 2    3728 9 2      C-13-H3C(O)CH3
  161441.4716  0.0139 -5.2592 3  608.8855372  595161404463214 4    463115 4      C-13-H3C(O)CH3
  161462.0416  0.0134 -4.9848 3  659.8636792  595161404492822 2    492723 2      C-13-H3C(O)CH3
  161462.5211  0.0101 -4.9849 3  659.8760792  595161404492822 0    492723 0      C-13-H3C(O)CH3
  161475.6280  0.0142 -5.2856 3  659.8535396  595161404492822 4    492723 4      C-13-H3C(O)CH3
  161476.3904  0.0111 -4.9847 3  659.8659792  595161404492822 1    492723 1      C-13-H3C(O)CH3
  161477.2189  0.0140 -5.2856 3  659.8535396  595161404492822 3    492723 3      C-13-H3C(O)CH3
  161492.2926  0.0097 -5.0670 3  410.3875300  5951614043729 8 3    372810 3      C-13-H3C(O)CH3
  161504.3737  0.0084 -4.7662 3  410.4091600  5951614043729 9 2    372810 2      C-13-H3C(O)CH3
  161518.5906  0.0159 -4.9699 3  608.8134744  595161404463215 1    463116 1      C-13-H3C(O)CH3
  161528.1441  0.0090 -4.7659 3  410.4085600  5951614043729 8 1    3728 9 1      C-13-H3C(O)CH3
  161534.2288  0.0091 -4.7871 3  337.5042536  5951614043328 5 0    3327 6 0      C-13-H3C(O)CH3
  161534.2370  0.0091 -4.7871 3  337.5042536  5951614043328 6 0    3327 7 0      C-13-H3C(O)CH3
  161535.0060  0.0201 -7.3620 3  218.8196456  595161404281711 2    2720 7 2      C-13-H3C(O)CH3
  161540.0804  0.0092 -4.7868 3  337.4621536  5951614043328 5 1    3327 6 1      C-13-H3C(O)CH3
  161541.7019  0.0085 -4.7661 3  410.4299600  5951614043729 8 0    3728 9 0      C-13-H3C(O)CH3
  161542.5304  0.0085 -4.7661 3  410.4299600  5951614043729 9 0    372810 0      C-13-H3C(O)CH3
  161560.9315  0.0183 -5.6593 3  245.8610220  5951614042727 0 4    2726 1 4      C-13-H3C(O)CH3
  161565.7447  0.0064 -5.1683 3   20.7883 76  595161404 9 7 3 4     8 6 2 4      C-13-H3C(O)CH3
  161567.8328  0.0152 -4.9546 3  608.8215744  595161404463215 0    463116 0      C-13-H3C(O)CH3
  161576.9935  0.0148 -6.9228 3  113.0446156  5951614041917 3 4    1818 1 4      C-13-H3C(O)CH3
  161586.6812  0.0029 -4.7678 3  224.1239244  595161404301119 4    301020 4      C-13-H3C(O)CH3
  161586.6891  0.0029 -4.7678 3  224.1239244  595161404301219 4    301120 4      C-13-H3C(O)CH3
  161586.8060  0.0025 -4.7678 3  224.1238244  595161404301119 3    301020 3      C-13-H3C(O)CH3
  161586.8141  0.0025 -4.7678 3  224.1238244  595161404301219 3    301120 3      C-13-H3C(O)CH3
  161587.1727  0.0462 -5.3707 3  882.7899904  595161404563621 0    563522 0      C-13-H3C(O)CH3
  161590.2289  0.0047 -6.9447 3   30.7389184  59516140411 7 5 0    11 4 8 0      C-13-H3C(O)CH3
  161603.8670  0.0144 -6.9218 3  113.1147156  5951614041917 2 3    1818 1 3      C-13-H3C(O)CH3
  161608.6931  0.0042 -6.6981 3   37.9687200  59516140412 8 5 0    12 5 8 0      C-13-H3C(O)CH3
  161636.4855  2.2130 -7.1093 3 1823.9069D04  595161404815031 2    814932 2      C-13-H3C(O)CH3
  161653.3631  0.0100 -6.9455 3   49.6145216  5951614041311 3 1    13 8 6 1      C-13-H3C(O)CH3
  161655.1057  0.0025 -4.4663 3  224.1340488  595161404301119 2    301020 2      C-13-H3C(O)CH3
  161655.1138  0.0025 -4.4663 3  224.1340488  595161404301219 2    301120 2      C-13-H3C(O)CH3
  161660.1386  0.0187 -4.9623 3  608.8163744  595161404463215 2    463116 2      C-13-H3C(O)CH3
  161663.0392  0.0363 -5.4955 3  739.2165412  595161404513418 4    513319 4      C-13-H3C(O)CH3
  161663.6490  0.0288 -5.2086 3  739.2125824  595161404513418 1    513319 1      C-13-H3C(O)CH3
  161665.6318  0.0025 -4.4663 3  224.1357488  595161404301119 1    301020 1      C-13-H3C(O)CH3
  161665.6394  0.0025 -4.4663 3  224.1357488  595161404301219 1    301120 1      C-13-H3C(O)CH3
  161684.4869  0.0304 -5.2099 3  739.2146824  595161404513418 2    513319 2      C-13-H3C(O)CH3
  161715.4809  0.0245 -5.1419 3  739.2031824  595161404513418 0    513319 0      C-13-H3C(O)CH3
  161724.5607  1.8294 -7.1089 3 1823.9038D04  595161404815031 0    814932 0      C-13-H3C(O)CH3
  161733.8123  0.0023 -4.4657 3  224.1458488  595161404301119 0    301020 0      C-13-H3C(O)CH3
  161733.8199  0.0023 -4.4657 3  224.1458488  595161404301219 0    301120 0      C-13-H3C(O)CH3
  161751.7710  0.0222 -5.2578 3  608.8024372  595161404463215 4    463116 4      C-13-H3C(O)CH3
  161754.3624  0.0104 -5.6659 3   45.0043108  59516140413 8 5 4    12 9 4 4      C-13-H3C(O)CH3
  161755.8028  0.0143 -7.0155 3   58.5089232  5951614041412 3 1    14 9 5 1      C-13-H3C(O)CH3
  161755.8078  0.0209 -5.3025 3  608.8337372  595161404463215 3    463116 3      C-13-H3C(O)CH3
  161763.8861  0.0897 -7.1927 3  660.5162388  595161404483316 4    483216 4      C-13-H3C(O)CH3
  161768.5984  0.0161 -7.0621 3  132.0491180  595161404221210 4    2115 6 4      C-13-H3C(O)CH3
  161775.5479  0.0160 -5.6583 3  245.8397220  5951614042727 1 3    2726 2 3      C-13-H3C(O)CH3
  161797.5270  0.1241 -6.4585 3  684.4352396  595161404493316 4    493218 4      C-13-H3C(O)CH3
  161798.6757  0.0399 -5.3749 3  882.8047904  595161404563621 1    563522 1      C-13-H3C(O)CH3
  161814.4452  0.0159 -7.0271 3  218.8258456  595161404281711 0    2720 8 0      C-13-H3C(O)CH3
  161816.5553  0.0155 -5.3575 3  245.9284440  5951614042727 0 2    2726 1 2      C-13-H3C(O)CH3
  161826.8221  0.0496 -5.3766 3  882.8052904  595161404563621 2    563522 2      C-13-H3C(O)CH3
  161848.9507  0.0078 -4.7793 3  526.4108712  595161404442321 2    442222 2      C-13-H3C(O)CH3
  161853.2035  0.0051 -4.7794 3  526.4336712  595161404442321 0    442222 0      C-13-H3C(O)CH3
  161870.0060  0.0083 -5.0801 3  526.3911356  595161404442321 3    442222 3      C-13-H3C(O)CH3
  161870.3953  0.0083 -5.0801 3  526.3910356  595161404442321 4    442222 4      C-13-H3C(O)CH3
  161874.3573  0.0054 -4.7792 3  526.4139712  595161404442321 1    442222 1      C-13-H3C(O)CH3
  161888.6014  0.0161 -5.6580 3  245.8595220  5951614042727 0 3    2726 1 3      C-13-H3C(O)CH3
  161899.4872  0.0173 -5.3572 3  245.9108440  5951614042727 1 1    2726 1 1      C-13-H3C(O)CH3
  161914.3167  0.0433 -5.6903 3  882.8184452  595161404563621 4    563522 4      C-13-H3C(O)CH3
  161921.5764  0.0109 -6.0840 3   97.8112296  5951614041815 4 0    1716 1 0      C-13-H3C(O)CH3
  161926.6947  0.0109 -6.0839 3   97.8112296  5951614041815 3 0    1716 2 0      C-13-H3C(O)CH3
  161937.9526  0.0030 -5.9656 3    9.2010 60  595161404 7 3 4 3     6 2 5 3      C-13-H3C(O)CH3
  161953.2994  0.0037 -5.9656 3    9.2009 60  595161404 7 3 4 4     6 2 5 4      C-13-H3C(O)CH3
  161966.8097  0.0108 -6.9501 3   49.6133216  5951614041311 3 2    13 8 6 2      C-13-H3C(O)CH3
  162006.6360  0.0202 -7.1477 3  145.4576188  595161404231310 4    2216 6 4      C-13-H3C(O)CH3
  162032.3803  0.0157 -5.3565 3  245.9069440  5951614042727 1 2    2726 2 2      C-13-H3C(O)CH3
  162050.5893  0.0113 -6.9553 3  132.0248360  595161404221210 2    2115 6 2      C-13-H3C(O)CH3
  162053.6669  0.0719 -6.2373 3  608.8337372  595161404463214 3    463116 3      C-13-H3C(O)CH3
  162070.1438  0.0037 -5.6630 3    9.1291120  595161404 7 3 4 2     6 2 5 2      C-13-H3C(O)CH3
  162071.8133  0.0743 -5.5202 3  974.1523952  595161404593723 0    593624 0      C-13-H3C(O)CH3
  162078.6345  0.0099 -6.0822 3   97.8386296  5951614041815 3 2    1716 1 2      C-13-H3C(O)CH3
  162082.3569  0.0047 -6.8396 3   45.8799108  59516140413 9 5 4    13 6 8 4      C-13-H3C(O)CH3
  162094.1662  0.0036 -5.6632 3    9.1297120  595161404 7 3 4 1     6 2 5 1      C-13-H3C(O)CH3
  162103.4822  0.0163 -5.6570 3  245.8382220  5951614042727 1 4    2726 2 4      C-13-H3C(O)CH3
  162110.2749  0.0050 -4.7781 3  526.4347712  595161404442421 0    442322 0      C-13-H3C(O)CH3
  162117.4244  0.0198 -7.3423 3  218.8151456  595161404281711 1    2720 7 1      C-13-H3C(O)CH3
  162118.1503  0.0071 -4.7779 3  526.4120712  595161404442421 2    442322 2      C-13-H3C(O)CH3
  162120.7208  0.6416 -6.2550 3 1369.6773B28  595161404704426 0    704327 0      C-13-H3C(O)CH3
  162122.6365  0.0036 -5.8568 3   67.3628132  59516140416 9 8 4    1510 5 4      C-13-H3C(O)CH3
  162132.1576  0.0144 -6.9291 3  145.4397376  595161404231310 2    2216 6 2      C-13-H3C(O)CH3
  162136.6064  0.0353 -5.4610 3  739.2326412  595161404513418 3    513319 3      C-13-H3C(O)CH3
  162137.8613  0.0054 -4.7778 3  526.4150712  595161404442421 1    442322 1      C-13-H3C(O)CH3
  162145.8712  0.0075 -5.0787 3  526.3922356  595161404442421 4    442322 4      C-13-H3C(O)CH3
  162146.0178  0.0074 -5.0787 3  526.3923356  595161404442421 3    442322 3      C-13-H3C(O)CH3
  162158.0914  0.0165 -5.3565 3  245.9782440  5951614042727 1 0    2726 2 0      C-13-H3C(O)CH3
  162158.0914  0.0165 -5.3565 3  245.9782440  5951614042727 0 0    2726 1 0      C-13-H3C(O)CH3
  162162.8665  0.0015 -4.7286 3   34.7068100  59516140412 5 7 3    11 6 6 3      C-13-H3C(O)CH3
  162174.2712  0.0017 -4.7285 3   34.7065100  59516140412 5 7 4    11 6 6 4      C-13-H3C(O)CH3
  162179.3393  0.0666 -5.6695 3  882.8217452  595161404563621 3    563522 3      C-13-H3C(O)CH3
  162180.0285  0.0063 -6.5472 3  247.7520504  595161404311318 1    301615 1      C-13-H3C(O)CH3
  162180.4122  0.0684 -5.5052 3  968.7425952  595161404593624 0    593525 0      C-13-H3C(O)CH3
  162188.7554  0.0065 -6.8487 3  247.7318252  595161404311318 4    301615 4      C-13-H3C(O)CH3
  162189.0116  0.0061 -6.8487 3  247.7318252  595161404311318 3    301615 3      C-13-H3C(O)CH3
  162203.0887  0.0052 -7.2649 3   24.1613168  59516140410 6 5 2    10 3 8 2      C-13-H3C(O)CH3
  162209.1926  0.0051 -7.2668 3   24.1619168  59516140410 6 5 1    10 3 8 1      C-13-H3C(O)CH3
  162210.4744  0.0149 -7.0118 3   58.5042232  5951614041412 3 2    14 9 5 2      C-13-H3C(O)CH3
  162218.6249  0.0035 -5.6616 3    9.0580120  595161404 7 3 4 0     6 2 5 0      C-13-H3C(O)CH3
  162221.3446  0.0117 -7.2032 3   49.6575108  5951614041311 3 3    13 8 6 3      C-13-H3C(O)CH3
  162223.4986  0.0017 -4.4282 3   34.6528200  59516140412 5 7 2    11 6 6 2      C-13-H3C(O)CH3
  162228.2000  0.0521 -6.8746 3  822.7565872  595161404543519 1    543421 1      C-13-H3C(O)CH3
  162228.8118  0.0162 -5.3559 3  245.9093440  5951614042727 0 1    2726 2 1      C-13-H3C(O)CH3
  162229.2565  0.0054 -6.5437 3  247.7676504  595161404311318 0    301615 0      C-13-H3C(O)CH3
  162230.4326  0.0123 -5.9100 3   53.1399116  59516140414 9 5 4    1310 3 4      C-13-H3C(O)CH3
  162234.4604  0.0017 -4.4276 3   34.6539200  59516140412 5 7 1    11 6 6 1      C-13-H3C(O)CH3
  162238.3979  0.0062 -6.5441 3  247.7473504  595161404311318 2    301615 2      C-13-H3C(O)CH3
  162248.0444  0.0117 -6.8830 3  132.0266360  595161404221210 1    2115 6 1      C-13-H3C(O)CH3
  162251.9844  0.0107 -6.0813 3   97.8264296  5951614041815 3 1    1716 1 1      C-13-H3C(O)CH3
  162260.2452  0.0168 -7.3145 3   58.5479116  5951614041412 3 3    14 9 5 3      C-13-H3C(O)CH3
  162269.6445  1.8728 -7.4076 3 1823.8901652  595161404815031 4    814932 4      C-13-H3C(O)CH3
  162274.7282  1.8589 -7.4077 3 1823.8904652  595161404815031 3    814932 3      C-13-H3C(O)CH3
  162289.2252  0.0017 -4.4283 3   34.6002200  59516140412 5 7 0    11 6 6 0      C-13-H3C(O)CH3
  162326.7682  0.0583 -5.5046 3  968.7505952  595161404593624 2    593525 2      C-13-H3C(O)CH3
  162326.8018  0.0824 -5.5196 3  974.1652952  595161404593723 2    593624 2      C-13-H3C(O)CH3
  162328.4346  0.0640 -5.5195 3  974.1650952  595161404593723 1    593624 1      C-13-H3C(O)CH3
  162336.6157  0.0194 -7.2980 3  218.7928456  595161404281711 2    2720 8 2      C-13-H3C(O)CH3
  162338.1247  0.0030 -4.7651 3  206.0863236  595161404291019 4    29 920 4      C-13-H3C(O)CH3
  162338.1266  0.0030 -4.7651 3  206.0863236  595161404291119 4    291020 4      C-13-H3C(O)CH3
  162338.2533  0.0025 -4.7651 3  206.0863236  595161404291019 3    29 920 3      C-13-H3C(O)CH3
  162338.2552  0.0025 -4.7651 3  206.0863236  595161404291119 3    291020 3      C-13-H3C(O)CH3
  162339.2209  0.0614 -5.5045 3  968.7500952  595161404593624 1    593525 1      C-13-H3C(O)CH3
  162347.8158  0.0110 -6.0815 3   97.7485296  5951614041815 4 1    1716 2 1      C-13-H3C(O)CH3
  162353.3338  0.0038 -5.5424 3   67.3238264  59516140416 9 8 1    1510 5 1      C-13-H3C(O)CH3
  162355.1482  0.0054 -5.8429 3   67.3553132  59516140416 9 8 3    1510 5 3      C-13-H3C(O)CH3
  162358.6229  0.0108 -6.0808 3   97.7608296  5951614041815 4 2    1716 2 2      C-13-H3C(O)CH3
  162361.2738  1.7136 -7.1062 3 1823.8872D04  595161404815031 1    814932 1      C-13-H3C(O)CH3
  162364.1886  0.0939 -6.7174 3  822.7574872  595161404543519 2    543421 2      C-13-H3C(O)CH3
  162371.5951  0.0098 -6.9704 3   56.2647116  5951614041411 4 4    14 8 7 4      C-13-H3C(O)CH3
  162401.3553  0.0044 -5.5374 3   67.3199264  59516140416 9 8 2    1510 5 2      C-13-H3C(O)CH3
  162407.7049  0.0135 -6.3806 3   97.8538148  5951614041815 3 4    1716 1 4      C-13-H3C(O)CH3
  162410.0247  0.0046 -6.5107 3   59.7589248  59516140415 9 7 2    1410 5 2      C-13-H3C(O)CH3
  162418.2650  0.0407 -5.4228 3  744.3792420  595161404522923 3    522824 3      C-13-H3C(O)CH3
  162420.1345  0.0410 -5.4228 3  744.3792420  595161404522923 4    522824 4      C-13-H3C(O)CH3
  162425.6688  0.0024 -4.4634 3  206.0914472  595161404291019 2    29 920 2      C-13-H3C(O)CH3
  162425.6707  0.0024 -4.4634 3  206.0914472  595161404291119 2    291020 2      C-13-H3C(O)CH3
  162435.0902  0.0024 -4.4635 3  206.0929472  595161404291019 1    29 920 1      C-13-H3C(O)CH3
  162435.0920  0.0024 -4.4635 3  206.0929472  595161404291119 1    291020 1      C-13-H3C(O)CH3
  162436.7335  0.0108 -7.3773 3   49.6575108  5951614041311 2 3    13 8 6 3      C-13-H3C(O)CH3
  162437.8944  0.0639 -7.3071 3  537.9813348  595161404433113 3    433013 3      C-13-H3C(O)CH3
  162438.8382  0.0033 -4.5883 3  383.8881616  595161404381820 0    381721 0      C-13-H3C(O)CH3
  162441.6348  0.0038 -4.5882 3  383.8594616  595161404381820 2    381721 2      C-13-H3C(O)CH3
  162446.6432  0.0147 -6.8946 3  145.4401376  595161404231310 1    2216 6 1      C-13-H3C(O)CH3
  162446.7239  0.0033 -4.5882 3  383.8881616  595161404381920 0    381821 0      C-13-H3C(O)CH3
  162449.9330  0.0038 -4.5881 3  383.8594616  595161404381920 2    381821 2      C-13-H3C(O)CH3
  162459.0452  0.0036 -4.5882 3  383.8623616  595161404381820 1    381721 1      C-13-H3C(O)CH3
  162461.0580  0.0154 -7.2404 3   58.5479116  5951614041412 2 3    14 9 5 3      C-13-H3C(O)CH3
  162461.9207  0.0040 -4.8891 3  383.8335308  595161404381820 3    381721 3      C-13-H3C(O)CH3
  162461.9635  0.0040 -4.8891 3  383.8334308  595161404381820 4    381721 4      C-13-H3C(O)CH3
  162463.2153  0.0508 -6.4188 3  608.8134744  595161404463214 1    463116 1      C-13-H3C(O)CH3
  162467.0453  0.0036 -4.5881 3  383.8623616  595161404381920 1    381821 1      C-13-H3C(O)CH3
  162470.2364  0.0101 -5.1029 3  471.8410324  595161404403010 3    402911 3      C-13-H3C(O)CH3
  162470.3422  0.0040 -4.8890 3  383.8335308  595161404381920 3    381821 3      C-13-H3C(O)CH3
  162470.3595  0.0040 -4.8890 3  383.8335308  595161404381920 4    381821 4      C-13-H3C(O)CH3
  162474.3408  0.0052 -7.2603 3   24.0976168  59516140410 6 5 0    10 3 8 0      C-13-H3C(O)CH3
  162476.9209  0.0353 -5.8050 3  968.7580476  595161404593624 4    593525 4      C-13-H3C(O)CH3
  162491.4809  0.8264 -6.2534 3 1369.6841B28  595161404704426 2    704327 2      C-13-H3C(O)CH3
  162495.4446  0.0036 -6.8166 3   45.8799108  59516140413 9 5 3    13 6 8 3      C-13-H3C(O)CH3
  162497.2673  0.0444 -5.8048 3  968.7582476  595161404593624 3    593525 3      C-13-H3C(O)CH3
  162501.8865  0.0118 -6.3809 3   97.7758148  5951614041815 4 3    1716 2 3      C-13-H3C(O)CH3
  162510.9980  0.0063 -6.5453 3  247.7410504  595161404311418 1    301515 1      C-13-H3C(O)CH3
  162515.7436  0.0414 -5.1214 3  744.3845840  595161404522923 2    522824 2      C-13-H3C(O)CH3
  162516.6913  0.0020 -5.5307 3   67.2848264  59516140416 9 8 0    1510 5 0      C-13-H3C(O)CH3
  162517.4417  0.0108 -5.1026 3  471.8622324  595161404403010 4    402911 4      C-13-H3C(O)CH3
  162522.3447  0.0023 -4.4628 3  206.0981472  595161404291019 0    29 920 0      C-13-H3C(O)CH3
  162522.3465  0.0023 -4.4628 3  206.0981472  595161404291119 0    291020 0      C-13-H3C(O)CH3
  162523.5567  0.0066 -6.8468 3  247.7206252  595161404311418 4    301515 4      C-13-H3C(O)CH3
  162524.6489  0.0063 -6.8468 3  247.7206252  595161404311418 3    301515 3      C-13-H3C(O)CH3
  162528.7346  0.0094 -4.8018 3  471.8685648  595161404403010 2    402911 2      C-13-H3C(O)CH3
  162530.1467  0.0040 -6.5314 3  151.3444196  595161404241113 3    231410 3      C-13-H3C(O)CH3
  162533.0737  0.0096 -4.8017 3  471.8286648  595161404403011 1    402912 1      C-13-H3C(O)CH3
  162547.2002  0.0562 -5.8209 3  974.1776476  595161404593723 4    593624 4      C-13-H3C(O)CH3
  162547.9546  0.0042 -6.2289 3  151.3441392  595161404241113 1    231410 1      C-13-H3C(O)CH3
  162549.2727  0.0238 -5.1213 3  744.3861840  595161404522923 1    522824 1      C-13-H3C(O)CH3
  162551.1248  0.0042 -6.5314 3  151.3437196  595161404241113 4    231410 4      C-13-H3C(O)CH3
  162556.9817  0.0042 -6.2263 3  151.3405392  595161404241113 2    231410 2      C-13-H3C(O)CH3
  162564.9019  0.0040 -6.2248 3  151.3405392  595161404241113 0    231410 0      C-13-H3C(O)CH3
  162565.9819  0.0054 -6.5417 3  247.7563504  595161404311418 0    301515 0      C-13-H3C(O)CH3
  162567.4442  0.0044 -6.4153 3   59.7554248  59516140415 9 7 1    1410 5 1      C-13-H3C(O)CH3
  162579.5966  0.0095 -4.8015 3  471.8497648  595161404403010 1    402911 1      C-13-H3C(O)CH3
  162579.6807  0.0063 -6.5422 3  247.7359504  595161404311418 2    301515 2      C-13-H3C(O)CH3
  162588.7027  0.0091 -4.8017 3  471.8560648  595161404403010 0    402911 0      C-13-H3C(O)CH3
  162591.6274  0.0111 -5.1025 3  471.8122324  595161404403011 4    402912 4      C-13-H3C(O)CH3
  162592.5445  0.0113 -4.8659 3  537.9761696  595161404433112 0    433013 0      C-13-H3C(O)CH3
  162597.1196  0.0091 -4.8016 3  471.8557648  595161404403011 0    402912 0      C-13-H3C(O)CH3
  162615.7773  0.0105 -4.8660 3  538.0013696  595161404433112 2    433013 2      C-13-H3C(O)CH3
  162617.0024  0.0107 -5.1667 3  538.0091348  595161404433112 4    433013 4      C-13-H3C(O)CH3
  162619.2033  0.0827 -5.8191 3  974.1785476  595161404593723 3    593624 3      C-13-H3C(O)CH3
  162623.1214  0.0112 -4.8663 3  537.9829696  595161404433112 1    433013 1      C-13-H3C(O)CH3
  162631.1032  0.0112 -5.1697 3  537.9813348  595161404433112 3    433013 3      C-13-H3C(O)CH3
  162639.9557  0.0106 -5.1023 3  471.8334324  595161404403011 3    402912 3      C-13-H3C(O)CH3
  162640.9208  0.0041 -6.5196 3   45.8322216  59516140413 9 5 1    13 6 8 1      C-13-H3C(O)CH3
  162644.2976  0.0253 -5.1209 3  744.3913840  595161404522923 0    522824 0      C-13-H3C(O)CH3
  162644.3468  0.0122 -4.8662 3  537.9550696  595161404433113 1    433014 1      C-13-H3C(O)CH3
  162651.7120  0.0096 -4.8014 3  471.8397648  595161404403011 2    402912 2      C-13-H3C(O)CH3
  162658.6723  0.0112 -4.8655 3  537.9737696  595161404433113 0    433014 0      C-13-H3C(O)CH3
  162665.5401  0.0686 -6.4564 3  660.4909776  595161404483316 2    483216 2      C-13-H3C(O)CH3
  162686.1197  0.0114 -6.3793 3   97.7760148  5951614041815 3 3    1716 1 3      C-13-H3C(O)CH3
  162717.6056  0.0044 -6.5169 3   45.8310216  59516140413 9 5 2    13 6 8 2      C-13-H3C(O)CH3
  162721.2511  0.0058 -4.6317 3   20.7180152  595161404 9 7 3 1     8 6 2 1      C-13-H3C(O)CH3
  162729.4314  0.0548 -5.4416 3  934.2367936  595161404583524 0    583425 0      C-13-H3C(O)CH3
  162737.3996  0.0104 -7.0204 3  279.6818520  595161404321815 2    312110 2      C-13-H3C(O)CH3
  162757.6930  0.0094 -5.7346 3   53.0751232  59516140414 9 5 2    1310 3 2      C-13-H3C(O)CH3
  162767.9430  0.0623 -6.7898 3  739.2326412  595161404513417 3    513319 3      C-13-H3C(O)CH3
  162777.7477  0.0119 -6.3795 3   97.6981148  5951614041815 4 4    1716 2 4      C-13-H3C(O)CH3
  162781.5428  0.0020 -6.7221 3   19.4953 76  595161404 9 6 4 4     8 5 4 4      C-13-H3C(O)CH3
  162786.7481  0.0123 -4.8653 3  537.9619696  595161404433113 2    433014 2      C-13-H3C(O)CH3
  162788.9894  0.0119 -5.1250 3  321.7856260  5951614043228 5 4    3227 6 4      C-13-H3C(O)CH3
  162789.2104  0.0129 -5.1691 3  537.9696348  595161404433113 3    433014 3      C-13-H3C(O)CH3
  162802.5172  0.0143 -5.1660 3  537.9418348  595161404433113 4    433014 4      C-13-H3C(O)CH3
  162822.6258  0.0210 -5.1690 3  775.6099856  595161404533123 0    533024 0      C-13-H3C(O)CH3
  162825.4643  0.0414 -5.4412 3  934.2425936  595161404583524 2    583425 2      C-13-H3C(O)CH3
  162826.0874  0.6122 -6.2521 3 1369.6787B28  595161404704426 1    704327 1      C-13-H3C(O)CH3
  162829.4121  0.0113 -6.4774 3  145.4141376  595161404231310 0    2216 7 0      C-13-H3C(O)CH3
  162832.6187  0.0110 -7.3354 3  279.6599260  595161404321815 4    312110 4      C-13-H3C(O)CH3
  162833.0638  0.0204 -5.1688 3  775.6062856  595161404533123 2    533024 2      C-13-H3C(O)CH3
  162833.6798  0.0506 -5.4412 3  934.2421936  595161404583524 1    583425 1      C-13-H3C(O)CH3
  162839.9466  0.0217 -5.1688 3  775.6074856  595161404533123 1    533024 1      C-13-H3C(O)CH3
  162840.0035  0.0120 -7.3336 3  279.6597260  595161404321815 3    312110 3      C-13-H3C(O)CH3
  162849.4129  0.0206 -5.4696 3  775.6037428  595161404533123 4    533024 4      C-13-H3C(O)CH3
  162853.5499  0.0202 -5.4696 3  775.6037428  595161404533123 3    533024 3      C-13-H3C(O)CH3
  162855.5283  0.0068 -4.6055 3   20.7169152  595161404 9 7 3 2     8 6 2 2      C-13-H3C(O)CH3
  162863.4229  0.0108 -5.1245 3  321.7814260  5951614043228 5 3    3227 6 3      C-13-H3C(O)CH3
  162870.4346  0.0097 -5.7074 3   53.0762232  59516140414 9 5 1    1310 3 1      C-13-H3C(O)CH3
  162873.3333  0.0098 -7.0163 3  279.7016520  595161404321815 0    312110 0      C-13-H3C(O)CH3
  162882.4342  0.0631 -5.9858 3  739.2125824  595161404513417 1    513319 1      C-13-H3C(O)CH3
  162885.5301  0.0527 -6.2324 3  660.4771776  595161404483316 1    483216 1      C-13-H3C(O)CH3
  162898.1335  0.0720 -6.6967 3  608.8163744  595161404463214 2    463116 2      C-13-H3C(O)CH3
  162924.8953  0.0259 -5.7418 3  934.2479468  595161404583524 4    583425 4      C-13-H3C(O)CH3
  162938.0893  0.0298 -5.7417 3  934.2481468  595161404583524 3    583425 3      C-13-H3C(O)CH3
  162968.0802  0.0101 -7.0292 3  279.6798520  595161404321815 1    312110 1      C-13-H3C(O)CH3
  162970.5465  0.0022 -6.9541 3   19.4350152  595161404 9 6 4 1     8 5 4 1      C-13-H3C(O)CH3
  162982.4192  0.0665 -7.3039 3  537.9696348  595161404433112 3    433014 3      C-13-H3C(O)CH3
  162982.4692  0.0023 -7.0554 3   19.4346152  595161404 9 6 4 2     8 5 4 2      C-13-H3C(O)CH3
  162996.4648  0.0096 -4.8234 3  321.8378520  5951614043228 4 2    3227 5 2      C-13-H3C(O)CH3
  162997.1104  0.0102 -4.8233 3  321.8191520  5951614043228 5 1    3227 6 1      C-13-H3C(O)CH3
  163007.7033  0.0032 -4.7680 3  188.6344228  59516140428 919 4    28 820 4      C-13-H3C(O)CH3
  163007.7037  0.0032 -4.7680 3  188.6344228  595161404281019 4    28 920 4      C-13-H3C(O)CH3
  163007.8263  0.0026 -4.7680 3  188.6344228  59516140428 919 3    28 820 3      C-13-H3C(O)CH3
  163007.8267  0.0026 -4.7680 3  188.6344228  595161404281019 3    28 920 3      C-13-H3C(O)CH3
  163021.7658  0.0109 -5.1240 3  321.7907260  5951614043228 4 3    3227 5 3      C-13-H3C(O)CH3
  163027.2909  0.1569 -6.6641 3  822.7675436  595161404543519 4    543421 4      C-13-H3C(O)CH3
  163046.0972  0.0030 -4.7641 3   20.7722 76  595161404 9 7 3 3     8 6 2 3      C-13-H3C(O)CH3
  163070.7602  0.0100 -4.8229 3  321.8334520  5951614043228 5 2    3227 6 2      C-13-H3C(O)CH3
  163081.1544  0.0131 -7.2997 3  576.2821776  595161404481830 1    472127 1      C-13-H3C(O)CH3
  163081.1574  0.0131 -7.2997 3  576.2821776  595161404481930 1    472027 1      C-13-H3C(O)CH3
  163081.3628  0.0038 -6.5073 3   45.7833216  59516140413 9 5 0    13 6 8 0      C-13-H3C(O)CH3
  163092.2166  0.0142 -7.2980 3  576.2807776  595161404481830 2    472127 2      C-13-H3C(O)CH3
  163092.2198  0.0142 -7.2980 3  576.2807776  595161404481930 2    472027 2      C-13-H3C(O)CH3
  163095.2599  0.0118 -5.1235 3  321.7864260  5951614043228 4 4    3227 5 4      C-13-H3C(O)CH3
  163115.7181  0.0024 -4.4662 3  188.6339456  59516140428 919 2    28 820 2      C-13-H3C(O)CH3
  163115.7185  0.0024 -4.4662 3  188.6339456  595161404281019 2    28 920 2      C-13-H3C(O)CH3
  163124.0643  0.0025 -4.4662 3  188.6351456  59516140428 919 1    28 820 1      C-13-H3C(O)CH3
  163124.0647  0.0025 -4.4662 3  188.6351456  595161404281019 1    28 920 1      C-13-H3C(O)CH3
  163143.5696  0.0108 -7.2989 3  576.3011776  595161404481830 0    472127 0      C-13-H3C(O)CH3
  163143.5723  0.0108 -7.2989 3  576.3011776  595161404481930 0    472027 0      C-13-H3C(O)CH3
  163147.8126  0.0826 -5.5645 3 1003.7992968  595161404603724 0    603625 0      C-13-H3C(O)CH3
  163160.6841  0.0061 -6.3583 3   59.7694124  59516140415 9 7 4    1410 5 4      C-13-H3C(O)CH3
  163180.4110  0.0176 -6.4228 3  126.4923172  5951614042115 7 4    2112 9 4      C-13-H3C(O)CH3
  163192.2402  0.7309 -6.5515 3 1369.6856564  595161404704426 3    704327 3      C-13-H3C(O)CH3
  163192.7600  0.1028 -5.9763 3  739.2146824  595161404513417 2    513319 2      C-13-H3C(O)CH3
  163195.2581  0.7716 -6.5516 3 1369.6858564  595161404704426 4    704327 4      C-13-H3C(O)CH3
  163195.6875  0.0088 -6.2958 3  131.9806360  595161404221210 0    2115 7 0      C-13-H3C(O)CH3
  163206.6080  0.0100 -4.8228 3  321.8712520  5951614043228 4 0    3227 5 0      C-13-H3C(O)CH3
  163206.6090  0.0100 -4.8228 3  321.8712520  5951614043228 5 0    3227 6 0      C-13-H3C(O)CH3
  163229.9071  0.0100 -4.8223 3  321.8241520  5951614043228 4 1    3227 5 1      C-13-H3C(O)CH3
  163231.7495  0.0023 -4.4654 3  188.6346456  59516140428 919 0    28 820 0      C-13-H3C(O)CH3
  163231.7499  0.0023 -4.4654 3  188.6346456  595161404281019 0    28 920 0      C-13-H3C(O)CH3
  163255.4901  0.0190 -7.2991 3  218.7772456  595161404281711 1    2720 8 1      C-13-H3C(O)CH3
  163341.7436  0.0800 -5.5638 3 1003.8098968  595161404603724 2    603625 2      C-13-H3C(O)CH3
  163360.3743  0.0727 -5.5637 3 1003.8093968  595161404603724 1    603625 1      C-13-H3C(O)CH3
  163366.4280  0.0171 -5.2333 3  630.8971388  595161404482622 3    482523 3      C-13-H3C(O)CH3
  163367.3289  0.0173 -5.2333 3  630.8971388  595161404482622 4    482523 4      C-13-H3C(O)CH3
  163381.3403  0.0167 -4.9323 3  630.9095776  595161404482622 2    482523 2      C-13-H3C(O)CH3
  163408.6373  0.0115 -7.3074 3   43.4025200  5951614041211 2 1    12 8 5 1      C-13-H3C(O)CH3
  163411.5963  0.0094 -4.9322 3  630.9120776  595161404482622 1    482523 1      C-13-H3C(O)CH3
  163425.6955  0.0095 -4.9323 3  630.9244776  595161404482622 0    482523 0      C-13-H3C(O)CH3
  163457.2374  0.5568 -6.5152 3 1355.5954564  595161404704129 3    704030 3      C-13-H3C(O)CH3
  163457.3826  0.5546 -6.5152 3 1355.5955564  595161404704129 4    704030 4      C-13-H3C(O)CH3
  163467.7445  0.0031 -4.4561 3   20.6540152  595161404 9 7 3 0     8 6 2 0      C-13-H3C(O)CH3
  163473.8667  0.0083 -6.6781 3   49.5713216  5951614041311 3 0    13 8 6 0      C-13-H3C(O)CH3
  163540.0177  0.0519 -5.8642 3 1003.8199484  595161404603724 4    603625 4      C-13-H3C(O)CH3
  163570.4746  0.0677 -5.8638 3 1003.8202484  595161404603724 3    603625 3      C-13-H3C(O)CH3
  163590.1166  0.0138 -6.6638 3  145.3911376  595161404231310 2    2216 7 2      C-13-H3C(O)CH3
  163594.5048  0.0095 -5.0690 3  392.6984292  5951614043629 8 3    3628 9 3      C-13-H3C(O)CH3
  163603.1170  0.0034 -4.7774 3  171.7701220  59516140427 819 4    27 720 4      C-13-H3C(O)CH3
  163603.1171  0.0034 -4.7774 3  171.7701220  59516140427 919 4    27 820 4      C-13-H3C(O)CH3
  163603.2237  0.0028 -4.7774 3  171.7700220  59516140427 819 3    27 720 3      C-13-H3C(O)CH3
  163603.2238  0.0028 -4.7774 3  171.7700220  59516140427 919 3    27 820 3      C-13-H3C(O)CH3
  163610.6802  0.0195 -5.0223 3  660.4593776  595161404483315 0    483216 0      C-13-H3C(O)CH3
  163624.7801  0.0099 -5.0690 3  392.6864292  5951614043629 8 4    3628 9 4      C-13-H3C(O)CH3
  163665.9692  0.0015 -4.5643 3   38.0759108  59516140413 4 9 3    12 5 8 3      C-13-H3C(O)CH3
  163666.1725  0.0015 -4.5643 3   38.0760108  59516140413 4 9 4    12 5 8 4      C-13-H3C(O)CH3
  163672.7183  0.0663 -6.1713 3  660.4852388  595161404483316 3    483216 3      C-13-H3C(O)CH3
  163688.5584  0.4367 -6.2133 3 1355.5885B28  595161404704129 1    704030 1      C-13-H3C(O)CH3
  163694.9238  0.0097 -7.2645 3  425.2443332  595161404411625 4    401922 4      C-13-H3C(O)CH3
  163694.9517  0.0097 -7.2646 3  425.2443332  595161404411625 3    401922 3      C-13-H3C(O)CH3
  163695.4683  0.0097 -7.2645 3  425.2443332  595161404411725 4    401822 4      C-13-H3C(O)CH3
  163695.4987  0.0097 -7.2646 3  425.2443332  595161404411725 3    401822 3      C-13-H3C(O)CH3
  163695.9278  0.0015 -4.5641 3   38.0751108  59516140413 5 9 4    12 4 8 4      C-13-H3C(O)CH3
  163696.1177  0.0015 -4.5641 3   38.0751108  59516140413 5 9 3    12 4 8 3      C-13-H3C(O)CH3
  163702.3961  0.0121 -7.3162 3   43.4026200  5951614041211 2 2    12 8 5 2      C-13-H3C(O)CH3
  163709.2601  0.0087 -4.7677 3  392.7097584  5951614043629 8 1    3628 9 1      C-13-H3C(O)CH3
  163713.3727  0.0097 -6.9638 3  425.2726664  595161404411625 1    401922 1      C-13-H3C(O)CH3
  163713.8793  0.0097 -6.9638 3  425.2726664  595161404411725 1    401822 1      C-13-H3C(O)CH3
  163729.5987  0.0016 -4.2631 3   38.0227216  59516140413 4 9 1    12 5 8 1      C-13-H3C(O)CH3
  163730.6686  0.0016 -4.2633 3   38.0218216  59516140413 4 9 2    12 5 8 2      C-13-H3C(O)CH3
  163732.8452  0.0025 -4.4755 3  171.7630440  59516140427 819 2    27 720 2      C-13-H3C(O)CH3
  163732.8453  0.0025 -4.4755 3  171.7630440  59516140427 919 2    27 820 2      C-13-H3C(O)CH3
  163738.0151  0.0112 -5.0684 3  392.7111292  5951614043629 7 4    3628 8 4      C-13-H3C(O)CH3
  163739.3272  0.0089 -4.7676 3  392.7380584  5951614043629 7 2    3628 8 2      C-13-H3C(O)CH3
  163739.9656  0.0099 -6.9615 3  425.2699664  595161404411625 2    401922 2      C-13-H3C(O)CH3
  163740.1352  0.0026 -4.4756 3  171.7641440  59516140427 819 1    27 720 1      C-13-H3C(O)CH3
  163740.1353  0.0026 -4.4756 3  171.7641440  59516140427 919 1    27 820 1      C-13-H3C(O)CH3
  163740.4933  0.0099 -6.9615 3  425.2699664  595161404411725 2    401822 2      C-13-H3C(O)CH3
  163744.6477  0.0086 -6.6584 3   56.2251232  5951614041411 4 1    14 8 7 1      C-13-H3C(O)CH3
  163758.2652  0.0085 -6.9618 3  425.2982664  595161404411625 0    401922 0      C-13-H3C(O)CH3
  163758.7541  0.0085 -6.9618 3  425.2982664  595161404411725 0    401822 0      C-13-H3C(O)CH3
  163760.1072  0.0016 -4.2629 3   38.0219216  59516140413 5 9 1    12 4 8 1      C-13-H3C(O)CH3
  163761.9293  0.0016 -4.2631 3   38.0209216  59516140413 5 9 2    12 4 8 2      C-13-H3C(O)CH3
  163769.6035  0.0098 -5.0684 3  392.6991292  5951614043629 7 3    3628 8 3      C-13-H3C(O)CH3
  163770.6367  0.0084 -4.7676 3  392.7260584  5951614043629 8 2    3628 9 2      C-13-H3C(O)CH3
  163773.7942  0.0112 -6.4013 3  131.9673360  595161404221210 2    2115 7 2      C-13-H3C(O)CH3
  163778.9212  0.0086 -7.0869 3   53.0848116  59516140414 9 5 3    1310 3 3      C-13-H3C(O)CH3
  163794.0588  0.0016 -4.2630 3   37.9687216  59516140413 4 9 0    12 5 8 0      C-13-H3C(O)CH3
  163825.8740  0.0016 -4.2628 3   37.9678216  59516140413 5 9 0    12 4 8 0      C-13-H3C(O)CH3
  163852.4750  0.0084 -5.2939 3   52.9981232  59516140414 9 5 0    1310 4 0      C-13-H3C(O)CH3
  163853.0843  0.0092 -4.7671 3  392.7223584  5951614043629 7 1    3628 8 1      C-13-H3C(O)CH3
  163856.0609  0.0087 -4.7674 3  392.7491584  5951614043629 7 0    3628 8 0      C-13-H3C(O)CH3
  163856.2021  0.0087 -4.7674 3  392.7491584  5951614043629 8 0    3628 9 0      C-13-H3C(O)CH3
  163861.5670  0.0151 -6.8238 3  145.3950188  595161404231310 3    2216 7 3      C-13-H3C(O)CH3
  163869.5004  0.0024 -4.4745 3  171.7571440  59516140427 819 0    27 720 0      C-13-H3C(O)CH3
  163869.5005  0.0024 -4.4745 3  171.7571440  59516140427 919 0    27 820 0      C-13-H3C(O)CH3
  163876.0013  0.0217 -5.0488 3  660.4771776  595161404483315 1    483216 1      C-13-H3C(O)CH3
  163881.4690  0.5946 -6.2126 3 1355.5984B28  595161404704129 2    704030 2      C-13-H3C(O)CH3
  163895.8977  0.9995 -7.0760 3 1813.7255D04  595161404814833 1    814734 1      C-13-H3C(O)CH3
  163932.0332  1.2309 -7.3769 3 1813.7285652  595161404814833 4    814734 4      C-13-H3C(O)CH3
  163933.5680  0.0903 -7.4380 3  608.8024372  595161404463214 4    463116 4      C-13-H3C(O)CH3
  163935.0031  1.2324 -7.3769 3 1813.7285652  595161404814833 3    814734 3      C-13-H3C(O)CH3
  163951.1218  0.0125 -6.6744 3   58.4636232  5951614041412 2 0    14 9 5 0      C-13-H3C(O)CH3
  163951.4049  0.0190 -5.0371 3  660.4909776  595161404483315 2    483216 2      C-13-H3C(O)CH3
  163960.3720  0.0035 -4.5575 3  361.1667600  595161404371720 2    371621 2      C-13-H3C(O)CH3
  163963.0298  0.0031 -4.5575 3  361.1952600  595161404371720 0    371621 0      C-13-H3C(O)CH3
  163963.2286  0.0035 -4.5575 3  361.1667600  595161404371820 2    371721 2      C-13-H3C(O)CH3
  163965.7377  0.0031 -4.5575 3  361.1952600  595161404371820 0    371721 0      C-13-H3C(O)CH3
  163970.0635  0.0106 -6.6038 3  131.9750180  595161404221210 3    2115 7 3      C-13-H3C(O)CH3
  163973.6159  0.0037 -4.8584 3  361.1409300  595161404371720 3    371621 3      C-13-H3C(O)CH3
  163973.6183  0.0037 -4.8584 3  361.1408300  595161404371720 4    371621 4      C-13-H3C(O)CH3
  163976.2122  0.0034 -4.5575 3  361.1694600  595161404371720 1    371621 1      C-13-H3C(O)CH3
  163976.5034  0.0037 -4.8584 3  361.1408300  595161404371820 4    371721 4      C-13-H3C(O)CH3
  163976.5112  0.0036 -4.8584 3  361.1409300  595161404371820 3    371721 3      C-13-H3C(O)CH3
  163978.8409  0.0926 -7.3719 3  849.9599444  595161404553520 4    553422 4      C-13-H3C(O)CH3
  163978.9556  0.0034 -4.5575 3  361.1694600  595161404371820 1    371721 1      C-13-H3C(O)CH3
  163982.5793  0.0325 -5.3881 3  660.4852388  595161404483315 3    483216 3      C-13-H3C(O)CH3
  163988.3951  0.0099 -7.0152 3   49.6145216  5951614041311 2 1    13 8 6 1      C-13-H3C(O)CH3
  164002.1159  0.0413 -5.5865 3  796.1261428  595161404533519 4    533420 4      C-13-H3C(O)CH3
  164012.0691  0.0309 -5.2236 3  796.1022856  595161404533519 0    533420 0      C-13-H3C(O)CH3
  164034.7165  0.0353 -5.2723 3  796.1160856  595161404533519 1    533420 1      C-13-H3C(O)CH3
  164034.8072  0.0190 -5.3273 3  660.5162388  595161404483315 4    483216 4      C-13-H3C(O)CH3
  164045.9749  0.0363 -5.2811 3  796.1179856  595161404533519 2    533420 2      C-13-H3C(O)CH3
  164046.1216  0.0093 -6.6567 3   56.2233232  5951614041411 4 2    14 8 7 2      C-13-H3C(O)CH3
  164091.3083  0.0096 -7.0128 3   49.6133216  5951614041311 2 2    13 8 6 2      C-13-H3C(O)CH3
  164092.8030  0.1085 -6.9450 3  714.2785404  595161404503417 4    503317 4      C-13-H3C(O)CH3
  164113.2011  0.4549 -6.2116 3 1355.5915B28  595161404704129 0    704030 0      C-13-H3C(O)CH3
  164130.5948  1.0158 -7.0753 3 1813.7442D04  595161404814833 0    814734 0      C-13-H3C(O)CH3
  164131.2388  0.0037 -4.7948 3  155.4949212  59516140426 719 4    26 620 4      C-13-H3C(O)CH3
  164131.2388  0.0037 -4.7948 3  155.4949212  59516140426 819 4    26 720 4      C-13-H3C(O)CH3
  164131.3173  0.0030 -4.7949 3  155.4949212  59516140426 719 3    26 620 3      C-13-H3C(O)CH3
  164131.3173  0.0030 -4.7949 3  155.4949212  59516140426 819 3    26 720 3      C-13-H3C(O)CH3
  164137.3792  0.0082 -5.7126 3   83.7645280  5951614041713 5 0    1614 2 0      C-13-H3C(O)CH3
  164148.5366  0.0145 -6.9365 3   58.5089232  5951614041412 2 1    14 9 5 1      C-13-H3C(O)CH3
  164169.0254  1.2915 -7.0752 3 1813.7471D04  595161404814833 2    814734 2      C-13-H3C(O)CH3
  164176.6829  0.0014 -4.7133 3   34.6538100  59516140412 6 7 4    11 5 6 4      C-13-H3C(O)CH3
  164188.9832  0.0018 -4.7133 3   34.6534100  59516140412 6 7 3    11 5 6 3      C-13-H3C(O)CH3
  164208.6198  0.1521 -6.3802 3  739.2165412  595161404513417 4    513319 4      C-13-H3C(O)CH3
  164208.7651  0.0618 -5.4655 3  944.9569936  595161404583722 0    583623 0      C-13-H3C(O)CH3
  164212.9452  0.0192 -5.0471 3  660.4329776  595161404483316 1    483217 1      C-13-H3C(O)CH3
  164214.7117  0.0125 -6.2500 3  126.4806344  5951614042115 7 1    2112 9 1      C-13-H3C(O)CH3
  164229.3371  0.0135 -5.1802 3  306.6617252  5951614043128 4 4    3127 4 4      C-13-H3C(O)CH3
  164239.4231  0.0031 -5.9661 3    9.2000 60  595161404 7 4 4 4     6 1 5 4      C-13-H3C(O)CH3
  164255.5962  0.0025 -5.9660 3    9.2000 60  595161404 7 4 4 3     6 1 5 3      C-13-H3C(O)CH3
  164259.4790  0.0141 -6.6725 3  145.3796376  595161404231310 1    2216 7 1      C-13-H3C(O)CH3
  164266.1755  0.0078 -6.7831 3   56.2651116  5951614041411 4 3    14 8 7 3      C-13-H3C(O)CH3
  164272.3868  0.0189 -5.0188 3  660.4341776  595161404483316 0    483217 0      C-13-H3C(O)CH3
  164280.6349  0.0017 -4.4121 3   34.6001200  59516140412 6 7 1    11 5 6 1      C-13-H3C(O)CH3
  164283.8041  0.0028 -4.4927 3  155.4806424  59516140426 719 2    26 620 2      C-13-H3C(O)CH3
  164283.8042  0.0028 -4.4927 3  155.4806424  59516140426 819 2    26 720 2      C-13-H3C(O)CH3
  164290.0501  0.0029 -4.4928 3  155.4815424  59516140426 819 1    26 720 1      C-13-H3C(O)CH3
  164290.0501  0.0029 -4.4928 3  155.4815424  59516140426 719 1    26 620 1      C-13-H3C(O)CH3
  164299.9759  0.0116 -6.4173 3  131.9582360  595161404221210 1    2115 7 1      C-13-H3C(O)CH3
  164302.1672  0.0019 -4.4124 3   34.5981200  59516140412 6 7 2    11 5 6 2      C-13-H3C(O)CH3
  164319.8328  0.0082 -5.7125 3   83.8063280  5951614041713 4 2    1614 2 2      C-13-H3C(O)CH3
  164321.7081  0.0045 -4.7323 3  500.3116696  595161404432221 0    432122 0      C-13-H3C(O)CH3
  164327.3341  0.0064 -4.7322 3  500.2871696  595161404432221 2    432122 2      C-13-H3C(O)CH3
  164333.8530  0.0242 -5.0353 3  660.4352776  595161404483316 2    483217 2      C-13-H3C(O)CH3
  164344.1697  0.0119 -5.1795 3  306.6542252  5951614043128 4 3    3127 5 3      C-13-H3C(O)CH3
  164348.8076  0.0049 -4.7321 3  500.2901696  595161404432221 1    432122 1      C-13-H3C(O)CH3
  164354.4529  0.0068 -5.0330 3  500.2656348  595161404432221 3    432122 3      C-13-H3C(O)CH3
  164354.6841  0.0068 -5.0330 3  500.2655348  595161404432221 4    432122 4      C-13-H3C(O)CH3
  164376.3410  0.0084 -5.7111 3   83.7644280  5951614041713 4 0    1614 3 0      C-13-H3C(O)CH3
  164397.7485  0.0114 -7.4535 3  126.4913172  5951614042115 7 3    2112 9 3      C-13-H3C(O)CH3
  164399.6951  0.0018 -4.4123 3   34.5447200  59516140412 6 7 0    11 5 6 0      C-13-H3C(O)CH3
  164403.8980  0.0142 -6.9432 3   58.5042232  5951614041412 2 2    14 9 5 2      C-13-H3C(O)CH3
  164405.8073  0.0119 -4.9272 3  630.9148776  595161404482722 2    482623 2      C-13-H3C(O)CH3
  164406.7711  0.0082 -4.9273 3  630.9294776  595161404482722 0    482623 0      C-13-H3C(O)CH3
  164421.0869  0.0126 -5.2280 3  630.9026388  595161404482722 4    482623 4      C-13-H3C(O)CH3
  164421.8735  0.0125 -5.2280 3  630.9026388  595161404482722 3    482623 3      C-13-H3C(O)CH3
  164422.1001  0.0090 -4.9271 3  630.9172776  595161404482722 1    482623 1      C-13-H3C(O)CH3
  164426.9842  0.0033 -5.6635 3    9.1282120  595161404 7 4 4 2     6 1 5 2      C-13-H3C(O)CH3
  164427.0806  0.0032 -5.6637 3    9.1288120  595161404 7 4 4 1     6 1 5 1      C-13-H3C(O)CH3
  164427.2012  0.0045 -4.7318 3  500.3120696  595161404432321 0    432222 0      C-13-H3C(O)CH3
  164438.1670  0.0061 -4.7316 3  500.2876696  595161404432321 2    432222 2      C-13-H3C(O)CH3
  164442.2265  0.0026 -4.4916 3  155.4673424  59516140426 719 0    26 620 0      C-13-H3C(O)CH3
  164442.2265  0.0026 -4.4916 3  155.4673424  59516140426 819 0    26 720 0      C-13-H3C(O)CH3
  164446.0130  0.0109 -4.8786 3  306.7187504  5951614043128 3 2    3127 4 2      C-13-H3C(O)CH3
  164454.9131  0.0293 -5.3254 3  660.4264388  595161404483316 4    483217 4      C-13-H3C(O)CH3
  164456.6153  0.0527 -5.4668 3  944.9733936  595161404583722 1    583623 1      C-13-H3C(O)CH3
  164456.9654  0.0049 -4.7316 3  500.2905696  595161404432321 1    432222 1      C-13-H3C(O)CH3
  164468.0991  0.0065 -5.0324 3  500.2660348  595161404432321 4    432222 4      C-13-H3C(O)CH3
  164468.1185  0.0064 -5.0324 3  500.2660348  595161404432321 3    432222 3      C-13-H3C(O)CH3
  164472.3058  0.0689 -5.4673 3  944.9734936  595161404583722 2    583623 2      C-13-H3C(O)CH3
  164473.7513  0.0116 -4.8784 3  306.6998504  5951614043128 4 1    3127 5 1      C-13-H3C(O)CH3
  164490.3694  0.0121 -5.1791 3  306.6670252  5951614043128 3 3    3127 4 3      C-13-H3C(O)CH3
  164493.8951  0.0431 -5.3750 3  900.2697920  595161404573424 0    573325 0      C-13-H3C(O)CH3
  164496.3108  0.0095 -5.6019 3   53.0609116  59516140414 9 5 3    1310 4 3      C-13-H3C(O)CH3
  164498.9154  0.0420 -5.5300 3  796.1378428  595161404533519 3    533420 3      C-13-H3C(O)CH3
  164507.4319  0.0290 -5.3855 3  660.4574388  595161404483316 3    483217 3      C-13-H3C(O)CH3
  164516.2014  0.0087 -5.7109 3   83.7994280  5951614041713 4 1    1614 2 1      C-13-H3C(O)CH3
  164545.0588  0.0320 -5.3747 3  900.2736920  595161404573424 2    573325 2      C-13-H3C(O)CH3
  164551.3628  0.0414 -5.3747 3  900.2735920  595161404573424 1    573325 1      C-13-H3C(O)CH3
  164555.2723  0.0182 -7.2128 3   58.5514116  5951614041412 2 4    14 9 5 4      C-13-H3C(O)CH3
  164561.1497  0.0112 -4.8780 3  306.7111504  5951614043128 4 2    3127 5 2      C-13-H3C(O)CH3
  164570.1906  0.0116 -6.0099 3   83.8414140  5951614041713 4 4    1614 2 4      C-13-H3C(O)CH3
  164598.1747  0.0213 -6.9066 3   83.7665140  5951614041713 5 3    1614 2 3      C-13-H3C(O)CH3
  164598.2527  0.0041 -4.8222 3  139.8105204  59516140425 719 4    25 620 4      C-13-H3C(O)CH3
  164598.2527  0.0041 -4.8222 3  139.8105204  59516140425 619 4    25 520 4      C-13-H3C(O)CH3
  164598.2901  0.0034 -4.8223 3  139.8104204  59516140425 619 3    25 520 3      C-13-H3C(O)CH3
  164598.2901  0.0034 -4.8223 3  139.8104204  59516140425 719 3    25 620 3      C-13-H3C(O)CH3
  164600.0756  0.0252 -5.6754 3  900.2774460  595161404573424 4    573325 4      C-13-H3C(O)CH3
  164604.5544  0.0127 -5.1785 3  306.6594252  5951614043128 3 4    3127 5 4      C-13-H3C(O)CH3
  164606.3170  0.0036 -5.6622 3    9.0571120  595161404 7 4 4 0     6 1 5 0      C-13-H3C(O)CH3
  164608.4171  0.0257 -5.6754 3  900.2775460  595161404573424 3    573325 3      C-13-H3C(O)CH3
  164611.3148  0.0125 -7.3387 3   49.6559108  5951614041311 2 4    13 8 6 4      C-13-H3C(O)CH3
  164629.6348  0.0016 -4.4545 3   40.8785116  59516140414 311 3    13 410 3      C-13-H3C(O)CH3
  164629.7075  0.0016 -4.4545 3   40.8785116  59516140414 311 4    13 410 4      C-13-H3C(O)CH3
  164629.8104  0.0016 -4.4545 3   40.8785116  59516140414 411 3    13 310 3      C-13-H3C(O)CH3
  164629.8804  0.0016 -4.4545 3   40.8785116  59516140414 411 4    13 310 4      C-13-H3C(O)CH3
  164636.6041  0.0501 -5.7743 3  944.9888468  595161404583722 4    583623 4      C-13-H3C(O)CH3
  164644.6025  0.0095 -7.1583 3  162.7336196  5951614042416 9 4    241311 4      C-13-H3C(O)CH3
  164667.4296  0.0081 -5.7106 3   83.7316280  5951614041713 5 2    1614 3 2      C-13-H3C(O)CH3
  164668.9622  0.0162 -6.3690 3   71.1747132  5951614041611 6 4    1512 3 4      C-13-H3C(O)CH3
  164679.3460  0.0017 -4.1532 3   40.8233232  59516140414 311 1    13 410 1      C-13-H3C(O)CH3
  164679.5233  0.0017 -4.1532 3   40.8233232  59516140414 411 1    13 310 1      C-13-H3C(O)CH3
  164679.8883  0.0017 -4.1533 3   40.8226232  59516140414 311 2    13 410 2      C-13-H3C(O)CH3
  164680.0719  0.0017 -4.1533 3   40.8226232  59516140414 411 2    13 310 2      C-13-H3C(O)CH3
  164692.7828  0.0113 -4.8778 3  306.7567504  5951614043128 3 0    3127 4 0      C-13-H3C(O)CH3
  164692.7829  0.0113 -4.8778 3  306.7567504  5951614043128 4 0    3127 5 0      C-13-H3C(O)CH3
  164696.5684  0.0021 -6.9797 3   20.7722 76  595161404 9 7 2 3     8 6 2 3      C-13-H3C(O)CH3
  164728.5841  0.0109 -5.4861 3   53.0094232  59516140414 9 5 2    1310 4 2      C-13-H3C(O)CH3
  164729.4599  0.0016 -4.1531 3   40.7675232  59516140414 311 0    13 410 0      C-13-H3C(O)CH3
  164729.6465  0.0016 -4.1531 3   40.7675232  59516140414 411 0    13 310 0      C-13-H3C(O)CH3
  164735.1376  0.0083 -5.7104 3   83.7195280  5951614041713 5 1    1614 3 1      C-13-H3C(O)CH3
  164735.3094  0.0112 -4.8773 3  306.7050504  5951614043128 3 1    3127 4 1      C-13-H3C(O)CH3
  164752.8196  0.0104 -6.0681 3   83.7613140  5951614041713 5 3    1614 3 3      C-13-H3C(O)CH3
  164774.6499  0.0032 -4.5199 3  139.7882408  59516140425 619 2    25 520 2      C-13-H3C(O)CH3
  164774.6499  0.0032 -4.5199 3  139.7882408  59516140425 719 2    25 620 2      C-13-H3C(O)CH3
  164779.8605  0.0033 -4.5200 3  139.7890408  59516140425 619 1    25 520 1      C-13-H3C(O)CH3
  164779.8605  0.0033 -4.5200 3  139.7890408  59516140425 719 1    25 620 1      C-13-H3C(O)CH3
  164800.2706  0.0121 -6.3235 3  126.4702344  5951614042115 7 2    2112 9 2      C-13-H3C(O)CH3
  164806.1718  0.0840 -5.7643 3  944.9910468  595161404583722 3    583623 3      C-13-H3C(O)CH3
  164817.2929  0.0764 -6.1652 3  660.4574388  595161404483315 3    483217 3      C-13-H3C(O)CH3
  164851.2768  0.0425 -7.3772 3  586.4561728  595161404453214 1    453114 1      C-13-H3C(O)CH3
  164919.0441  0.0682 -5.5646 3  833.8955444  595161404553124 3    553025 3      C-13-H3C(O)CH3
  164921.1175  0.0683 -5.5646 3  833.8956444  595161404553124 4    553025 4      C-13-H3C(O)CH3
  164926.9250  0.0080 -7.2729 3  162.7355392  5951614042416 9 1    241311 1      C-13-H3C(O)CH3
  164949.1532  0.0777 -6.2542 3  714.2487808  595161404503417 2    503317 2      C-13-H3C(O)CH3
  164955.8510  0.0030 -4.5187 3  139.7668408  59516140425 619 0    25 520 0      C-13-H3C(O)CH3
  164955.8510  0.0030 -4.5187 3  139.7668408  59516140425 719 0    25 620 0      C-13-H3C(O)CH3
  164976.4936  0.0099 -6.0661 3   83.7665140  5951614041713 4 3    1614 2 3      C-13-H3C(O)CH3
  165009.7450  0.0038 -6.3816 3  124.7183196  59516140424 519 3    24 520 3      C-13-H3C(O)CH3
  165009.7450  0.0038 -4.8762 3  124.7183196  59516140424 619 3    24 520 3      C-13-H3C(O)CH3
  165009.7450  0.0038 -4.8762 3  124.7183196  59516140424 519 3    24 420 3      C-13-H3C(O)CH3
  165009.7450  0.0038 -6.3818 3  124.7183196  59516140424 619 3    24 420 3      C-13-H3C(O)CH3
  165009.7629  0.0046 -7.4717 3  124.7183196  59516140424 619 4    24 420 4      C-13-H3C(O)CH3
  165009.7629  0.0046 -4.8631 3  124.7183196  59516140424 619 4    24 520 4      C-13-H3C(O)CH3
  165009.7629  0.0046 -4.8639 3  124.7183196  59516140424 519 4    24 420 4      C-13-H3C(O)CH3
  165017.8435  0.0064 -6.7512 3   54.2650116  5951614041410 5 4    14 7 8 4      C-13-H3C(O)CH3
  165073.3888  0.0101 -5.4988 3   53.0027232  59516140414 9 5 1    1310 4 1      C-13-H3C(O)CH3
  165078.6771  0.0705 -5.2629 3  833.8962888  595161404553124 2    553025 2      C-13-H3C(O)CH3
  165079.1445  0.0029 -4.9942 3   20.7169152  595161404 9 7 2 2     8 6 2 2      C-13-H3C(O)CH3
  165081.8849  0.0028 -4.9375 3   20.7180152  595161404 9 7 2 1     8 6 2 1      C-13-H3C(O)CH3
  165099.7249  0.0434 -5.2628 3  833.8967888  595161404553124 1    553025 1      C-13-H3C(O)CH3
  165130.4497  0.0614 -6.1000 3  714.2376808  595161404503417 1    503317 1      C-13-H3C(O)CH3
  165131.1385  0.0220 -6.9039 3   83.7613140  5951614041713 4 3    1614 3 3      C-13-H3C(O)CH3
  165153.3757  0.0098 -6.0074 3   83.6865140  5951614041713 5 4    1614 3 4      C-13-H3C(O)CH3
  165177.8661  0.0164 -6.7663 3  131.9354180  595161404221210 4    2115 7 4      C-13-H3C(O)CH3
  165198.9203  0.4792 -6.1037 3 1294.4552A96  595161404684325 0    684226 0      C-13-H3C(O)CH3
  165203.4165  0.0605 -6.2204 3  660.4329776  595161404483315 1    483217 1      C-13-H3C(O)CH3
  165208.9763  0.0203 -7.0004 3  145.3508188  595161404231310 4    2216 7 4      C-13-H3C(O)CH3
  165209.0876  0.0022 -4.9706 3   20.7883 76  595161404 9 7 2 4     8 6 2 4      C-13-H3C(O)CH3
  165210.8479  0.0039 -4.5608 3  124.6874392  59516140424 519 2    24 420 2      C-13-H3C(O)CH3
  165210.8479  0.0039 -4.5603 3  124.6874392  59516140424 619 2    24 520 2      C-13-H3C(O)CH3
  165215.0307  0.0041 -4.5611 3  124.6880392  59516140424 519 1    24 420 1      C-13-H3C(O)CH3
  165215.0307  0.0041 -7.4034 3  124.6880392  59516140424 619 1    24 420 1      C-13-H3C(O)CH3
  165215.0307  0.0041 -7.4040 3  124.6880392  59516140424 519 1    24 520 1      C-13-H3C(O)CH3
  165215.0307  0.0041 -4.5611 3  124.6880392  59516140424 619 1    24 520 1      C-13-H3C(O)CH3
  165254.6686  0.0100 -5.0894 3  452.6069316  595161404393010 3    392910 3      C-13-H3C(O)CH3
  165256.0350  0.0459 -5.2622 3  833.8973888  595161404553124 0    553025 0      C-13-H3C(O)CH3
  165299.0630  0.0063 -6.4206 3   56.1837232  5951614041411 4 0    14 8 7 0      C-13-H3C(O)CH3
  165323.4125  0.0033 -4.5300 3  339.0445584  595161404361620 2    361521 2      C-13-H3C(O)CH3
  165324.3488  0.0033 -4.5300 3  339.0445584  595161404361720 2    361621 2      C-13-H3C(O)CH3
  165327.5893  0.0034 -4.8311 3  339.0193292  595161404361620 4    361521 4      C-13-H3C(O)CH3
  165327.6218  0.0034 -4.8311 3  339.0193292  595161404361620 3    361521 3      C-13-H3C(O)CH3
  165328.5329  0.0034 -4.8310 3  339.0193292  595161404361720 4    361621 4      C-13-H3C(O)CH3
  165328.5693  0.0034 -4.8310 3  339.0193292  595161404361720 3    361621 3      C-13-H3C(O)CH3
  165330.1032  0.0100 -7.0687 3   43.3594200  5951614041211 2 0    12 8 5 0      C-13-H3C(O)CH3
  165333.5499  0.0114 -5.0890 3  452.6263316  5951614043930 9 4    392910 4      C-13-H3C(O)CH3
  165333.7564  0.0029 -4.5300 3  339.0722584  595161404361620 0    361521 0      C-13-H3C(O)CH3
  165334.6418  0.0029 -4.5300 3  339.0722584  595161404361720 0    361621 0      C-13-H3C(O)CH3
  165337.9260  0.0032 -4.5300 3  339.0471584  595161404361620 1    361521 1      C-13-H3C(O)CH3
  165338.8216  0.0032 -4.5300 3  339.0471584  595161404361720 1    361621 1      C-13-H3C(O)CH3
  165341.2672  0.0094 -4.7882 3  452.6378632  5951614043930 9 2    392910 2      C-13-H3C(O)CH3
  165341.7327  0.0092 -4.7882 3  452.6005632  595161404393010 1    392911 1      C-13-H3C(O)CH3
  165348.6820  0.0105 -5.0891 3  452.5831316  595161404393010 4    392911 4      C-13-H3C(O)CH3
  165370.7910  0.0044 -4.9221 3  110.2197188  59516140423 419 3    23 320 3      C-13-H3C(O)CH3
  165370.7910  0.0044 -4.9221 3  110.2197188  59516140423 519 3    23 420 3      C-13-H3C(O)CH3
  165370.8789  0.0052 -4.9327 3  110.2197188  59516140423 419 4    23 420 4      C-13-H3C(O)CH3
  165370.8789  0.0052 -6.5429 3  110.2197188  59516140423 519 4    23 420 4      C-13-H3C(O)CH3
  165370.8789  0.0052 -4.9326 3  110.2197188  59516140423 519 4    23 320 4      C-13-H3C(O)CH3
  165370.8789  0.0052 -6.5397 3  110.2197188  59516140423 419 4    23 320 4      C-13-H3C(O)CH3
  165383.7421  0.0073 -6.6438 3  296.6004552  595161404341420 1    331717 1      C-13-H3C(O)CH3
  165390.5256  0.0073 -6.9450 3  296.5749276  595161404341420 4    331717 4      C-13-H3C(O)CH3
  165390.7158  0.0072 -6.9450 3  296.5749276  595161404341420 3    331717 3      C-13-H3C(O)CH3
  165399.3566  0.0640 -7.2978 3  796.1378428  595161404533518 3    533420 3      C-13-H3C(O)CH3
  165415.7003  0.0037 -4.5591 3  124.6572392  59516140424 519 0    24 420 0      C-13-H3C(O)CH3
  165415.7003  0.0037 -4.5591 3  124.6572392  59516140424 619 0    24 520 0      C-13-H3C(O)CH3
  165420.5114  0.0096 -4.7879 3  452.6199632  5951614043930 9 1    392910 1      C-13-H3C(O)CH3
  165425.8593  0.0032 -4.6143 3   36.1289200  59516140412 6 6 0    11 7 5 0      C-13-H3C(O)CH3
  165426.0154  0.0038 -4.6132 3   36.1783200  59516140412 6 6 2    11 7 5 2      C-13-H3C(O)CH3
  165426.2777  0.0063 -6.6408 3  296.6217552  595161404341420 0    331717 0      C-13-H3C(O)CH3
  165427.1508  0.0717 -6.1918 3  796.1160856  595161404533518 1    533420 1      C-13-H3C(O)CH3
  165428.8730  0.0104 -5.0888 3  452.6026316  5951614043930 9 3    392911 3      C-13-H3C(O)CH3
  165429.1936  0.0089 -4.7880 3  452.6312632  5951614043930 9 0    392910 0      C-13-H3C(O)CH3
  165430.9077  0.0089 -4.7880 3  452.6312632  595161404393010 0    392911 0      C-13-H3C(O)CH3
  165433.1584  1.8990 -6.9301 3 1736.9808C72  595161404794930 2    794831 2      C-13-H3C(O)CH3
  165433.4178  0.0073 -6.6409 3  296.5962552  595161404341420 2    331717 2      C-13-H3C(O)CH3
  165433.9408  1.5474 -6.9300 3 1736.9778C72  595161404794930 0    794831 0      C-13-H3C(O)CH3
  165436.6671  0.0091 -4.7879 3  452.6141632  595161404393010 2    392911 2      C-13-H3C(O)CH3
  165437.3233  0.0111 -5.9909 3  126.4913172  5951614042115 6 3    2112 9 3      C-13-H3C(O)CH3
  165449.0192  0.0073 -6.6434 3  296.5983552  595161404341520 1    331617 1      C-13-H3C(O)CH3
  165452.9457  0.0035 -4.9111 3   36.2296100  59516140412 6 6 3    11 7 5 3      C-13-H3C(O)CH3
  165457.4548  0.0074 -6.9446 3  296.5727276  595161404341520 4    331617 4      C-13-H3C(O)CH3
  165457.8171  0.0072 -6.9446 3  296.5727276  595161404341520 3    331617 3      C-13-H3C(O)CH3
  165492.0713  0.0063 -6.6404 3  296.6195552  595161404341520 0    331617 0      C-13-H3C(O)CH3
  165501.0217  0.0073 -6.6405 3  296.5940552  595161404341520 2    331617 2      C-13-H3C(O)CH3
  165502.5550  0.0036 -4.6115 3   36.1788200  59516140412 6 6 1    11 7 5 1      C-13-H3C(O)CH3
  165510.7182  0.0153 -5.2649 3  292.0505244  5951614043028 3 4    3027 3 4      C-13-H3C(O)CH3
  165552.4620  0.0038 -4.9118 3   36.2271100  59516140412 6 6 4    11 7 5 4      C-13-H3C(O)CH3
  165580.9196  0.0718 -6.9394 3  586.4589364  595161404453214 3    453114 3      C-13-H3C(O)CH3
  165597.3612  0.0049 -4.7155 3  110.1795376  59516140423 419 2    23 320 2      C-13-H3C(O)CH3
  165597.3612  0.0049 -5.3214 3  110.1795376  59516140423 419 2    23 420 2      C-13-H3C(O)CH3
  165597.3612  0.0049 -4.7148 3  110.1795376  59516140423 519 2    23 420 2      C-13-H3C(O)CH3
  165597.3612  0.0049 -5.3246 3  110.1795376  59516140423 519 2    23 320 2      C-13-H3C(O)CH3
  165600.5243  0.0050 -5.8873 3  110.1801376  59516140423 519 1    23 320 1      C-13-H3C(O)CH3
  165600.5243  0.0050 -4.6437 3  110.1801376  59516140423 519 1    23 420 1      C-13-H3C(O)CH3
  165600.5243  0.0050 -5.8839 3  110.1801376  59516140423 419 1    23 420 1      C-13-H3C(O)CH3
  165600.5243  0.0050 -4.6439 3  110.1801376  59516140423 419 1    23 320 1      C-13-H3C(O)CH3
  165615.4934  0.0105 -5.0795 3  375.5332284  5951614043529 7 4    3528 8 4      C-13-H3C(O)CH3
  165615.6682  0.6357 -6.1020 3 1294.4650A96  595161404684325 2    684226 2      C-13-H3C(O)CH3
  165619.7178  0.0861 -6.4409 3  660.4352776  595161404483315 2    483217 2      C-13-H3C(O)CH3
  165622.4175  0.0100 -5.0793 3  375.5409284  5951614043529 7 3    3528 8 3      C-13-H3C(O)CH3
  165664.6034  0.1207 -6.1234 3  796.1179856  595161404533518 2    533420 2      C-13-H3C(O)CH3
  165666.6625  0.0134 -5.2641 3  292.0405244  5951614043028 3 3    3027 4 3      C-13-H3C(O)CH3
  165676.4261  0.0018 -4.3663 3   43.1239124  59516140415 213 3    14 312 3      C-13-H3C(O)CH3
  165676.4266  0.0018 -4.3663 3   43.1239124  59516140415 313 3    14 212 3      C-13-H3C(O)CH3
  165676.4676  0.0137 -4.9178 3  586.4416728  595161404453213 0    453114 0      C-13-H3C(O)CH3
  165676.4861  0.0018 -4.3663 3   43.1239124  59516140415 213 4    14 312 4      C-13-H3C(O)CH3
  165676.4866  0.0018 -4.3663 3   43.1239124  59516140415 313 4    14 212 4      C-13-H3C(O)CH3
  165686.1119  0.0050 -5.0605 3   96.3161180  59516140422 419 3    22 220 3      C-13-H3C(O)CH3
  165686.1119  0.0050 -5.0421 3   96.3161180  59516140422 319 3    22 320 3      C-13-H3C(O)CH3
  165686.1119  0.0050 -6.1603 3   96.3161180  59516140422 319 3    22 220 3      C-13-H3C(O)CH3
  165686.1119  0.0050 -5.9716 3   96.3161180  59516140422 419 3    22 320 3      C-13-H3C(O)CH3
  165686.2855  0.0059 -5.8236 3   96.3161180  59516140422 319 4    22 220 4      C-13-H3C(O)CH3
  165686.2855  0.0059 -5.0827 3   96.3161180  59516140422 319 4    22 320 4      C-13-H3C(O)CH3
  165686.2855  0.0059 -5.9385 3   96.3161180  59516140422 419 4    22 320 4      C-13-H3C(O)CH3
  165686.2855  0.0059 -5.0647 3   96.3161180  59516140422 419 4    22 220 4      C-13-H3C(O)CH3
  165712.5828  0.0019 -4.0651 3   43.0650248  59516140415 213 1    14 312 1      C-13-H3C(O)CH3
  165712.5833  0.0019 -4.0651 3   43.0650248  59516140415 313 1    14 212 1      C-13-H3C(O)CH3
  165712.8354  0.0019 -4.0651 3   43.0644248  59516140415 213 2    14 312 2      C-13-H3C(O)CH3
  165712.8359  0.0019 -4.0651 3   43.0644248  59516140415 313 2    14 212 2      C-13-H3C(O)CH3
  165733.7950  0.0125 -4.9633 3  292.1124488  5951614043028 2 2    3027 3 2      C-13-H3C(O)CH3
  165736.4432  0.0136 -4.9190 3  586.4561728  595161404453213 1    453114 1      C-13-H3C(O)CH3
  165742.3482  0.0121 -4.9182 3  586.4737728  595161404453213 2    453114 2      C-13-H3C(O)CH3
  165744.3602  0.0091 -4.7781 3  375.5597568  5951614043529 7 1    3528 8 1      C-13-H3C(O)CH3
  165748.8882  0.0018 -4.0649 3   43.0057248  59516140415 213 0    14 312 0      C-13-H3C(O)CH3
  165748.8887  0.0018 -4.0649 3   43.0057248  59516140415 313 0    14 212 0      C-13-H3C(O)CH3
  165752.2529  0.0118 -5.2186 3  586.4899364  595161404453213 4    453114 4      C-13-H3C(O)CH3
  165766.9053  0.4021 -6.2938 3 1241.4313540  595161404673928 3    673829 3      C-13-H3C(O)CH3
  165767.6885  0.3999 -6.2938 3 1241.4314540  595161404673928 4    673829 4      C-13-H3C(O)CH3
  165778.6080  0.0087 -4.7781 3  375.5774568  5951614043529 7 2    3528 8 2      C-13-H3C(O)CH3
  165782.4872  0.0956 -5.6192 3 1039.4240984  595161404613824 0    613725 0      C-13-H3C(O)CH3
  165784.9001  0.0092 -4.7779 3  375.5849568  5951614043529 6 2    3528 7 2      C-13-H3C(O)CH3
  165788.2474  0.0135 -4.9630 3  292.0938488  5951614043028 3 1    3027 4 1      C-13-H3C(O)CH3
  165789.9935  0.0136 -4.9172 3  586.4374728  595161404453214 0    453115 0      C-13-H3C(O)CH3
  165792.2060  0.0102 -5.0787 3  375.5452284  5951614043529 6 3    3528 7 3      C-13-H3C(O)CH3
  165797.2910  0.0126 -5.2265 3  586.4589364  595161404453213 3    453114 3      C-13-H3C(O)CH3
  165797.8943  0.0115 -5.0786 3  375.5529284  5951614043529 6 4    3528 7 4      C-13-H3C(O)CH3
  165798.4240  0.0135 -5.2638 3  292.0564244  5951614043028 2 3    3027 3 3      C-13-H3C(O)CH3
  165799.2714  0.0146 -4.9187 3  586.4245728  595161404453214 1    453115 1      C-13-H3C(O)CH3
  165805.8276  0.0249 -5.0953 3  714.2167808  595161404503416 0    503317 0      C-13-H3C(O)CH3
  165826.5922  0.0046 -4.6227 3  110.1400376  59516140423 519 0    23 420 0      C-13-H3C(O)CH3
  165826.5922  0.0046 -4.6337 3  110.1400376  59516140423 419 0    23 320 0      C-13-H3C(O)CH3
  165826.5922  0.0046 -6.5584 3  110.1400376  59516140423 419 0    23 420 0      C-13-H3C(O)CH3
  165826.5922  0.0046 -6.0757 3  110.1400376  59516140423 519 0    23 320 0      C-13-H3C(O)CH3
  165844.2506  0.0117 -7.4404 3   43.4025200  5951614041211 1 1    12 8 5 1      C-13-H3C(O)CH3
  165851.5124  0.0036 -6.6748 3   54.2650116  5951614041410 5 3    14 7 8 3      C-13-H3C(O)CH3
  165855.3116  0.0053 -6.3595 3   11.2840 60  595161404 7 6 2 4     6 3 3 4      C-13-H3C(O)CH3
  165859.5618  0.4634 -6.1012 3 1294.4624A96  595161404684325 1    684226 1      C-13-H3C(O)CH3
  165863.5369  0.0107 -5.8860 3   71.1214264  5951614041611 6 1    1512 3 1      C-13-H3C(O)CH3
  165866.3239  0.0050 -6.4036 3   54.2227232  5951614041410 5 1    14 7 8 1      C-13-H3C(O)CH3
  165879.0405  0.0101 -5.8551 3   71.1229264  5951614041611 6 2    1512 3 2      C-13-H3C(O)CH3
  165890.4758  0.0127 -4.9625 3  292.1021488  5951614043028 3 2    3027 4 2      C-13-H3C(O)CH3
  165895.9320  0.0193 -5.1045 3  744.4057840  595161404523023 2    522924 2      C-13-H3C(O)CH3
  165897.8365  0.0092 -6.4404 3  126.4923180  595161404221112 4    2112 9 4      C-13-H3C(O)CH3
  165899.5412  0.0165 -5.1047 3  744.4114840  595161404523023 0    522924 0      C-13-H3C(O)CH3
  165902.0100  0.0202 -5.4054 3  744.4014420  595161404523023 4    522924 4      C-13-H3C(O)CH3
  165904.3445  0.0198 -5.4054 3  744.4014420  595161404523023 3    522924 3      C-13-H3C(O)CH3
  165906.0263  0.0176 -5.1045 3  744.4071840  595161404523023 1    522924 1      C-13-H3C(O)CH3
  165908.9344  0.0091 -4.7777 3  375.6037568  5951614043529 6 0    3528 7 0      C-13-H3C(O)CH3
  165908.9556  0.0091 -4.7777 3  375.6037568  5951614043529 7 0    3528 8 0      C-13-H3C(O)CH3
  165920.5100  0.0094 -4.7774 3  375.5716568  5951614043529 6 1    3528 7 1      C-13-H3C(O)CH3
  165923.3630  0.0661 -6.2472 3  714.2503404  595161404503417 3    503317 3      C-13-H3C(O)CH3
  165926.0577  0.0072 -6.4404 3  126.4913180  595161404221112 3    2112 9 3      C-13-H3C(O)CH3
  165938.7202  0.0060 -4.9364 3   96.2660360  59516140422 419 2    22 220 2      C-13-H3C(O)CH3
  165938.7202  0.0060 -5.1727 3   96.2660360  59516140422 319 2    22 220 2      C-13-H3C(O)CH3
  165938.7202  0.0060 -4.7190 3   96.2660360  59516140422 419 2    22 320 2      C-13-H3C(O)CH3
  165938.7202  0.0060 -5.9796 3   96.2660360  59516140422 319 2    22 320 2      C-13-H3C(O)CH3
  165940.8746  0.0062 -4.7248 3   96.2665360  59516140422 419 1    22 320 1      C-13-H3C(O)CH3
  165940.8746  0.0062 -6.1152 3   96.2665360  59516140422 319 1    22 320 1      C-13-H3C(O)CH3
  165940.8746  0.0062 -4.7077 3   96.2665360  59516140422 319 1    22 220 1      C-13-H3C(O)CH3
  165941.2463  0.0151 -4.9174 3  586.4303728  595161404453214 2    453115 2      C-13-H3C(O)CH3
  165952.7312  0.0220 -7.4763 3  405.3477616  595161404382415 0    372710 0      C-13-H3C(O)CH3
  165954.0908  0.0139 -5.2630 3  292.0462244  5951614043028 2 4    3027 4 4      C-13-H3C(O)CH3
  165956.4777  0.0156 -5.2259 3  586.4464364  595161404453214 3    453115 3      C-13-H3C(O)CH3
  165960.0223  0.0058 -5.1634 3   83.0086172  59516140421 219 3    21 220 3      C-13-H3C(O)CH3
  165960.0223  0.0058 -6.6743 3   83.0086172  59516140421 319 3    21 220 3      C-13-H3C(O)CH3
  165960.0223  0.0058 -6.6743 3   83.0086172  59516140421 219 3    21 120 3      C-13-H3C(O)CH3
  165960.0223  0.0058 -5.1634 3   83.0086172  59516140421 319 3    21 120 3      C-13-H3C(O)CH3
  165960.2977  0.0066 -5.7163 3   83.0086172  59516140421 219 4    21 120 4      C-13-H3C(O)CH3
  165960.2977  0.0066 -5.2879 3   83.0086172  59516140421 219 4    21 220 4      C-13-H3C(O)CH3
  165960.2977  0.0066 -5.2879 3   83.0086172  59516140421 319 4    21 120 4      C-13-H3C(O)CH3
  165960.2977  0.0066 -5.7163 3   83.0086172  59516140421 319 4    21 220 4      C-13-H3C(O)CH3
  165966.2706  0.0026 -4.9820 3   20.6416 76  595161404 9 7 3 4     8 6 3 4      C-13-H3C(O)CH3
  165967.4211  0.0113 -7.4324 3   43.4026200  5951614041211 1 2    12 8 5 2      C-13-H3C(O)CH3
  165968.8393  0.0080 -6.7980 3   56.2251232  5951614041411 3 1    14 8 7 1      C-13-H3C(O)CH3
  165997.9802  0.0557 -7.2933 3  882.8047904  595161404563620 1    563522 1      C-13-H3C(O)CH3
  166000.7580  0.0176 -5.2176 3  586.4153364  595161404453214 4    453115 4      C-13-H3C(O)CH3
  166012.6682  0.1022 -5.6185 3 1039.4378984  595161404613824 2    613725 2      C-13-H3C(O)CH3
  166013.9487  0.0130 -4.9625 3  292.1556488  5951614043028 2 0    3027 3 0      C-13-H3C(O)CH3
  166013.9487  0.0130 -4.9625 3  292.1556488  5951614043028 3 0    3027 4 0      C-13-H3C(O)CH3
  166016.4725  0.0067 -6.1369 3  126.4806360  595161404221112 1    2112 9 1      C-13-H3C(O)CH3
  166016.8193  0.0053 -6.3966 3   54.2211232  5951614041410 5 2    14 7 8 2      C-13-H3C(O)CH3
  166024.4127  0.0078 -6.8023 3   56.2233232  5951614041411 3 2    14 8 7 2      C-13-H3C(O)CH3
  166038.0335  0.0832 -5.6184 3 1039.4374984  595161404613824 1    613725 1      C-13-H3C(O)CH3
  166042.8898  0.3095 -5.9916 3 1241.4234A80  595161404673928 1    673829 1      C-13-H3C(O)CH3
  166056.0969  0.0108 -5.1408 3  517.1822340  595161404423111 3    423012 3      C-13-H3C(O)CH3
  166067.8497  0.0112 -5.1405 3  517.2078340  595161404423111 4    423012 4      C-13-H3C(O)CH3
  166074.5127  0.0101 -4.8397 3  517.2046680  595161404423111 2    423012 2      C-13-H3C(O)CH3
  166074.5161  0.0943 -7.1569 3  882.8052904  595161404563620 2    563522 2      C-13-H3C(O)CH3
  166076.9862  0.0128 -4.9619 3  292.0995488  5951614043028 2 1    3027 3 1      C-13-H3C(O)CH3
  166087.8172  1.6417 -7.2283 3 1736.9688636  595161404794930 4    794831 4      C-13-H3C(O)CH3
  166092.1453  1.4576 -6.9272 3 1736.9659C72  595161404794930 1    794831 1      C-13-H3C(O)CH3
  166093.1575  1.6280 -7.2284 3 1736.9690636  595161404794930 3    794831 3      C-13-H3C(O)CH3
  166102.6062  0.0109 -4.8395 3  517.1603680  595161404423112 1    423013 1      C-13-H3C(O)CH3
  166113.4277  0.0104 -4.8395 3  517.1859680  595161404423111 1    423012 1      C-13-H3C(O)CH3
  166114.0645  0.0101 -4.8396 3  517.1828680  595161404423111 0    423012 0      C-13-H3C(O)CH3
  166129.7757  0.0101 -4.8395 3  517.1822680  595161404423112 0    423013 0      C-13-H3C(O)CH3
  166144.9194  0.0299 -5.1393 3  714.2376808  595161404503416 1    503317 1      C-13-H3C(O)CH3
  166158.0033  0.0129 -5.8711 3   61.8204124  5951614041510 5 4    1411 3 4      C-13-H3C(O)CH3
  166172.8491  0.0756 -6.9360 3  586.4464364  595161404453213 3    453115 3      C-13-H3C(O)CH3
  166181.1870  0.4291 -5.9911 3 1241.4303A80  595161404673928 2    673829 2      C-13-H3C(O)CH3
  166185.2658  0.1311 -6.7421 3  770.1741420  595161404523518 4    523418 4      C-13-H3C(O)CH3
  166192.9063  0.0057 -5.5064 3   96.2165360  59516140422 419 0    22 220 0      C-13-H3C(O)CH3
  166192.9063  0.0057 -5.5752 3   96.2165360  59516140422 319 0    22 320 0      C-13-H3C(O)CH3
  166192.9063  0.0057 -4.7686 3   96.2165360  59516140422 319 0    22 220 0      C-13-H3C(O)CH3
  166192.9063  0.0057 -4.7804 3   96.2165360  59516140422 419 0    22 320 0      C-13-H3C(O)CH3
  166196.5124  0.0067 -6.2463 3   70.2985164  59516140420 219 3    20 020 3      C-13-H3C(O)CH3
  166196.5124  0.0067 -6.2463 3   70.2985164  59516140420 119 3    20 120 3      C-13-H3C(O)CH3
  166196.5124  0.0067 -5.4853 3   70.2985164  59516140420 119 3    20 020 3      C-13-H3C(O)CH3
  166196.5124  0.0067 -5.4853 3   70.2985164  59516140420 219 3    20 120 3      C-13-H3C(O)CH3
  166196.9057  0.0075 -7.4082 3   70.2985164  59516140420 219 4    20 120 4      C-13-H3C(O)CH3
  166196.9057  0.0075 -5.4203 3   70.2985164  59516140420 119 4    20 120 4      C-13-H3C(O)CH3
  166196.9057  0.0075 -5.4203 3   70.2985164  59516140420 219 4    20 020 4      C-13-H3C(O)CH3
  166196.9057  0.0075 -7.4082 3   70.2985164  59516140420 119 4    20 020 4      C-13-H3C(O)CH3
  166206.3625  0.0125 -5.1400 3  517.1479340  595161404423112 4    423013 4      C-13-H3C(O)CH3
  166219.2333  0.0117 -5.1403 3  517.1735340  595161404423112 3    423013 3      C-13-H3C(O)CH3
  166226.1910  0.0108 -4.8391 3  517.1703680  595161404423112 2    423013 2      C-13-H3C(O)CH3
  166239.0324  0.0067 -6.1317 3  126.4702360  595161404221112 2    2112 9 2      C-13-H3C(O)CH3
  166239.0803  0.0074 -5.9387 3   82.9481344  59516140421 319 2    21 220 2      C-13-H3C(O)CH3
  166239.0803  0.0074 -4.8838 3   82.9481344  59516140421 319 2    21 120 2      C-13-H3C(O)CH3
  166239.0803  0.0074 -4.8838 3   82.9481344  59516140421 219 2    21 220 2      C-13-H3C(O)CH3
  166239.0803  0.0074 -5.9387 3   82.9481344  59516140421 219 2    21 120 2      C-13-H3C(O)CH3
  166240.2403  0.0075 -6.1078 3   82.9486344  59516140421 319 1    21 220 1      C-13-H3C(O)CH3
  166240.2403  0.0075 -6.1078 3   82.9486344  59516140421 219 1    21 120 1      C-13-H3C(O)CH3
  166240.2403  0.0075 -4.8719 3   82.9486344  59516140421 319 1    21 120 1      C-13-H3C(O)CH3
  166240.2403  0.0075 -4.8719 3   82.9486344  59516140421 219 1    21 220 1      C-13-H3C(O)CH3
  166246.5166  0.0701 -5.9191 3 1039.4510492  595161404613824 4    613725 4      C-13-H3C(O)CH3
  166249.1851  0.0282 -5.1248 3  714.2487808  595161404503416 2    503317 2      C-13-H3C(O)CH3
  166249.9203  0.0478 -5.4604 3  714.2503404  595161404503416 3    503317 3      C-13-H3C(O)CH3
  166253.6133  0.0121 -5.8712 3   53.0057116  59516140414 9 5 4    1310 4 4      C-13-H3C(O)CH3
  166260.0272  0.0046 -6.0990 3  129.4290360  595161404221111 0    2114 8 0      C-13-H3C(O)CH3
  166266.0331  0.5673 -6.4003 3 1294.4722548  595161404684325 3    684226 3      C-13-H3C(O)CH3
  166266.6433  0.0122 -5.8087 3  126.4806344  5951614042115 6 1    2112 9 1      C-13-H3C(O)CH3
  166269.3475  0.0396 -5.3113 3  855.1294888  595161404553620 0    553521 0      C-13-H3C(O)CH3
  166278.6196  0.6189 -6.4009 3 1294.4727548  595161404684325 4    684226 4      C-13-H3C(O)CH3
  166290.3001  0.0950 -5.9183 3 1039.4516492  595161404613824 3    613725 3      C-13-H3C(O)CH3
  166340.4464  0.0063 -6.1294 3  126.4591360  595161404221112 0    2112 9 0      C-13-H3C(O)CH3
  166361.9274  0.0490 -5.6691 3  855.1616444  595161404553620 4    553521 4      C-13-H3C(O)CH3
  166362.8559  0.0049 -6.1023 3  129.4317360  595161404221111 2    2114 8 2      C-13-H3C(O)CH3
  166372.2215  0.0413 -5.3396 3  855.1468888  595161404553620 1    553521 1      C-13-H3C(O)CH3
  166386.1765  0.0427 -5.3479 3  855.1481888  595161404553620 2    553521 2      C-13-H3C(O)CH3
  166390.6672  0.0277 -5.4064 3  714.2785404  595161404503416 4    503317 4      C-13-H3C(O)CH3
  166421.0709  0.0030 -4.9444 3   20.5946152  595161404 9 7 3 1     8 6 3 1      C-13-H3C(O)CH3
  166455.9194  0.3234 -5.9900 3 1241.4223A80  595161404673928 0    673829 0      C-13-H3C(O)CH3
  166461.2929  0.0097 -5.6769 3  126.4591344  5951614042115 6 0    2112 9 0      C-13-H3C(O)CH3
  166476.7025  0.0034 -5.0009 3   20.5962152  595161404 9 7 3 2     8 6 3 2      C-13-H3C(O)CH3
  166478.6283  0.0018 -6.9820 3   20.6577 76  595161404 9 7 3 3     8 6 3 3      C-13-H3C(O)CH3
  166481.5022  0.0042 -4.6888 3  474.7460680  595161404422121 0    422022 0      C-13-H3C(O)CH3
  166492.1557  0.0055 -4.6886 3  474.7199680  595161404422121 2    422022 2      C-13-H3C(O)CH3
  166500.8331  0.0048 -6.4019 3  129.4378180  595161404221111 3    2114 8 3      C-13-H3C(O)CH3
  166502.2675  0.0090 -5.4695 3   70.2271328  59516140420 219 2    20 020 2      C-13-H3C(O)CH3
  166502.2675  0.0090 -5.3641 3   70.2271328  59516140420 219 2    20 120 2      C-13-H3C(O)CH3
  166502.2675  0.0090 -5.3641 3   70.2271328  59516140420 119 2    20 020 2      C-13-H3C(O)CH3
  166502.2675  0.0090 -5.4695 3   70.2271328  59516140420 119 2    20 120 2      C-13-H3C(O)CH3
  166502.4520  0.0091 -6.4097 3   70.2276328  59516140420 119 1    20 020 1      C-13-H3C(O)CH3
  166502.4520  0.0091 -6.4097 3   70.2276328  59516140420 219 1    20 120 1      C-13-H3C(O)CH3
  166502.4520  0.0091 -5.1353 3   70.2276328  59516140420 119 1    20 120 1      C-13-H3C(O)CH3
  166502.4520  0.0091 -5.1353 3   70.2276328  59516140420 219 1    20 020 1      C-13-H3C(O)CH3
  166510.9482  0.0045 -4.6885 3  474.7228680  595161404422121 1    422022 1      C-13-H3C(O)CH3
  166518.6419  0.0071 -5.6918 3   82.8882344  59516140421 319 0    21 120 0      C-13-H3C(O)CH3
  166518.6419  0.0071 -4.9120 3   82.8882344  59516140421 219 0    21 120 0      C-13-H3C(O)CH3
  166518.6419  0.0071 -5.6918 3   82.8882344  59516140421 219 0    21 220 0      C-13-H3C(O)CH3
  166518.6419  0.0071 -4.9120 3   82.8882344  59516140421 319 0    21 220 0      C-13-H3C(O)CH3
  166521.6712  0.0057 -4.9894 3  474.6967340  595161404422121 3    422022 3      C-13-H3C(O)CH3
  166521.8132  0.0058 -4.9894 3  474.6967340  595161404422121 4    422022 4      C-13-H3C(O)CH3
  166522.9538  0.0041 -4.6886 3  474.7461680  595161404422221 0    422122 0      C-13-H3C(O)CH3
  166523.4756  0.0119 -5.7884 3  126.4702344  5951614042115 6 2    2112 9 2      C-13-H3C(O)CH3
  166527.9852  0.0039 -6.3665 3   54.1790232  5951614041410 5 0    14 7 8 0      C-13-H3C(O)CH3
  166535.8472  0.0054 -4.6884 3  474.7201680  595161404422221 2    422122 2      C-13-H3C(O)CH3
  166536.8584  0.0052 -6.1040 3  129.4305360  595161404221111 1    2114 8 1      C-13-H3C(O)CH3
  166542.9267  0.0032 -4.8070 3  317.4716284  595161404351520 4    351421 4      C-13-H3C(O)CH3
  166542.9904  0.0031 -4.8070 3  317.4716284  595161404351520 3    351421 3      C-13-H3C(O)CH3
  166543.2198  0.0032 -4.8070 3  317.4716284  595161404351620 4    351521 4      C-13-H3C(O)CH3
  166543.2849  0.0031 -4.8070 3  317.4716284  595161404351620 3    351521 3      C-13-H3C(O)CH3
  166549.7368  0.0031 -4.5059 3  317.4955568  595161404351520 2    351421 2      C-13-H3C(O)CH3
  166550.0283  0.0031 -4.5059 3  317.4955568  595161404351620 2    351521 2      C-13-H3C(O)CH3
  166553.4464  0.0045 -4.6883 3  474.7230680  595161404422221 1    422122 1      C-13-H3C(O)CH3
  166556.5845  0.0103 -7.0875 3   56.2647116  5951614041411 3 4    14 8 7 4      C-13-H3C(O)CH3
  166563.0830  0.0031 -4.5059 3  317.4979568  595161404351520 1    351421 1      C-13-H3C(O)CH3
  166563.3607  0.0031 -4.5059 3  317.4979568  595161404351620 1    351521 1      C-13-H3C(O)CH3
  166566.4796  0.0056 -4.9892 3  474.6969340  595161404422221 3    422122 3      C-13-H3C(O)CH3
  166566.5094  0.0057 -4.9892 3  474.6969340  595161404422221 4    422122 4      C-13-H3C(O)CH3
  166569.8437  0.0027 -4.5058 3  317.5218568  595161404351520 0    351421 0      C-13-H3C(O)CH3
  166570.1187  0.0027 -4.5058 3  317.5218568  595161404351620 0    351521 0      C-13-H3C(O)CH3
  166589.6788  0.0167 -6.1672 3  126.4923172  5951614042115 6 4    2112 9 4      C-13-H3C(O)CH3
  166595.5711  0.1836 -6.3938 3  796.1261428  595161404533518 4    533420 4      C-13-H3C(O)CH3
  166602.3038  0.1639 -7.0035 3  882.8184452  595161404563620 4    563522 4      C-13-H3C(O)CH3
  166606.6974  0.1119 -5.7226 3  928.3749468  595161404583325 3    583226 3      C-13-H3C(O)CH3
  166608.7562  0.1115 -5.7226 3  928.3750468  595161404583325 4    583226 4      C-13-H3C(O)CH3
  166643.5016  0.0100 -5.6563 3   61.7613248  5951614041510 5 2    1411 3 2      C-13-H3C(O)CH3
  166650.7507  0.0174 -5.4021 3  277.9476236  5951614042928 2 4    2927 2 4      C-13-H3C(O)CH3
  166669.7239  0.0069 -6.4870 3   51.9026232  59516140414 8 6 2    14 5 9 2      C-13-H3C(O)CH3
  166684.4379  0.0472 -7.3678 3  586.4245728  595161404453213 1    453115 1      C-13-H3C(O)CH3
  166687.8909  0.0064 -6.7948 3   51.9490116  59516140414 8 6 3    14 5 9 3      C-13-H3C(O)CH3
  166725.4379  0.0123 -4.8745 3  602.5080760  595161404472522 2    472423 2      C-13-H3C(O)CH3
  166725.8341  0.1125 -7.1668 3  660.4264388  595161404483315 4    483217 4      C-13-H3C(O)CH3
  166730.7158  0.0093 -6.7948 3   51.9491116  59516140414 8 6 4    14 5 9 4      C-13-H3C(O)CH3
  166730.8634  0.0128 -5.1754 3  602.4935380  595161404472522 3    472423 3      C-13-H3C(O)CH3
  166731.3826  0.0130 -5.1754 3  602.4935380  595161404472522 4    472423 4      C-13-H3C(O)CH3
  166743.8570  0.0072 -4.8746 3  602.5249760  595161404472522 0    472423 0      C-13-H3C(O)CH3
  166749.6514  0.0075 -4.8744 3  602.5105760  595161404472522 1    472423 1      C-13-H3C(O)CH3
  166753.0434  0.0021 -4.2912 3   44.8225132  59516140416 215 3    15 114 3      C-13-H3C(O)CH3
  166753.0434  0.0021 -4.2912 3   44.8225132  59516140416 115 3    15 214 3      C-13-H3C(O)CH3
  166753.0801  0.0021 -4.2912 3   44.8225132  59516140416 215 4    15 114 4      C-13-H3C(O)CH3
  166753.0801  0.0021 -4.2912 3   44.8225132  59516140416 115 4    15 214 4      C-13-H3C(O)CH3
  166762.8188  0.0102 -5.6387 3   61.7612248  5951614041510 5 1    1411 3 1      C-13-H3C(O)CH3
  166772.5217  0.0068 -6.4826 3   51.8575232  59516140414 8 6 0    14 5 9 0      C-13-H3C(O)CH3
  166772.6655  0.0241 -5.1362 3  714.1828808  595161404503417 1    503318 1      C-13-H3C(O)CH3
  166774.6746  0.0063 -6.4136 3  129.4289180  595161404221111 4    2114 8 4      C-13-H3C(O)CH3
  166775.0933  0.0023 -3.9900 3   44.7582264  59516140416 215 1    15 114 1      C-13-H3C(O)CH3
  166775.0933  0.0023 -3.9900 3   44.7582264  59516140416 115 1    15 214 1      C-13-H3C(O)CH3
  166775.2332  0.0022 -3.9900 3   44.7577264  59516140416 215 2    15 114 2      C-13-H3C(O)CH3
  166775.2332  0.0022 -3.9900 3   44.7577264  59516140416 115 2    15 214 2      C-13-H3C(O)CH3
  166792.1492  0.0062 -5.4283 3   71.0714264  5951614041611 6 0    1512 3 0      C-13-H3C(O)CH3
  166797.2188  0.0021 -3.9898 3   44.6934264  59516140416 115 0    15 214 0      C-13-H3C(O)CH3
  166797.2188  0.0021 -3.9898 3   44.6934264  59516140416 215 0    15 114 0      C-13-H3C(O)CH3
  166805.0878  0.0549 -5.6125 3  855.1695444  595161404553620 3    553521 3      C-13-H3C(O)CH3
  166807.4656  0.0087 -5.1268 3   70.1563328  59516140420 219 0    20 020 0      C-13-H3C(O)CH3
  166807.4656  0.0087 -5.1268 3   70.1563328  59516140420 119 0    20 120 0      C-13-H3C(O)CH3
  166807.4656  0.0087 -6.5441 3   70.1563328  59516140420 119 0    20 020 0      C-13-H3C(O)CH3
  166807.4656  0.0087 -6.5441 3   70.1563328  59516140420 219 0    20 120 0      C-13-H3C(O)CH3
  166810.4932  0.0069 -6.4894 3   51.9038232  59516140414 8 6 1    14 5 9 1      C-13-H3C(O)CH3
  166836.0137  0.0763 -5.4206 3  928.3716936  595161404583325 1    583226 1      C-13-H3C(O)CH3
  166837.1888  0.1170 -5.4206 3  928.3724936  595161404583325 2    583226 2      C-13-H3C(O)CH3
  166838.4479  0.0236 -5.0901 3  714.1769808  595161404503417 0    503318 0      C-13-H3C(O)CH3
  166847.9926  0.0152 -5.4013 3  277.9356236  5951614042928 2 3    2927 3 3      C-13-H3C(O)CH3
  166859.7389  0.0067 -6.0145 3   11.2150120  595161404 7 6 2 1     6 3 3 1      C-13-H3C(O)CH3
  166862.4070  0.0303 -5.1219 3  714.1849808  595161404503417 2    503318 2      C-13-H3C(O)CH3
  166877.6795  0.0144 -5.1005 3  278.0142472  5951614042928 1 2    2927 2 2      C-13-H3C(O)CH3
  166937.8040  0.0868 -6.1379 3  770.1421840  595161404523518 2    523418 2      C-13-H3C(O)CH3
  166958.1936  0.0158 -5.1002 3  277.9965472  5951614042928 2 1    2927 3 1      C-13-H3C(O)CH3
  166959.6980  0.0040 -6.1250 3  140.1533376  595161404231112 0    2214 9 0      C-13-H3C(O)CH3
  166963.3822  0.0152 -5.4009 3  277.9544236  5951614042928 1 3    2927 2 3      C-13-H3C(O)CH3
  166975.4227  0.0041 -6.1264 3  140.1555376  595161404231112 2    2214 9 2      C-13-H3C(O)CH3
  166992.0420  0.0382 -5.4036 3  714.1818404  595161404503417 4    503318 4      C-13-H3C(O)CH3
  167013.2221  0.0817 -5.5653 3 1009.2412968  595161404603823 0    603724 0      C-13-H3C(O)CH3
  167014.8595  0.0040 -6.4305 3  140.1607188  595161404231112 3    2214 9 3      C-13-H3C(O)CH3
  167022.5335  0.0083 -6.0083 3   11.2134120  595161404 7 6 2 2     6 3 3 2      C-13-H3C(O)CH3
  167034.3256  0.0042 -6.1283 3  140.1574376  595161404231112 1    2214 9 1      C-13-H3C(O)CH3
  167052.4248  0.0160 -7.4219 3  648.9534824  595161404511932 1    502229 1      C-13-H3C(O)CH3
  167052.4252  0.0160 -7.4219 3  648.9534824  595161404512032 1    502129 1      C-13-H3C(O)CH3
  167058.7458  0.0178 -7.4202 3  648.9525824  595161404511932 2    502229 2      C-13-H3C(O)CH3
  167058.7462  0.0178 -7.4202 3  648.9525824  595161404512032 2    502129 2      C-13-H3C(O)CH3
  167062.6560  0.0803 -5.4197 3  928.3690936  595161404583325 0    583226 0      C-13-H3C(O)CH3
  167069.3109  0.0708 -6.0588 3  770.1338840  595161404523518 1    523418 1      C-13-H3C(O)CH3
  167076.0674  0.0145 -5.0997 3  278.0021472  5951614042928 2 2    2927 3 2      C-13-H3C(O)CH3
  167087.6612  0.0038 -6.4311 3  140.1584188  595161404231112 4    2214 9 4      C-13-H3C(O)CH3
  167090.9520  0.0037 -6.8188 3   43.7951108  59516140413 7 6 4    12 8 4 4      C-13-H3C(O)CH3
  167094.0665  0.2741 -6.0874 3 1132.1603516  595161404643727 3    643628 3      C-13-H3C(O)CH3
  167095.4079  0.2724 -6.0874 3 1132.1603516  595161404643727 4    643628 4      C-13-H3C(O)CH3
  167096.9839  0.0339 -5.3067 3  866.8349904  595161404563324 0    563225 0      C-13-H3C(O)CH3
  167114.2494  0.0286 -5.3065 3  866.8371904  595161404563324 2    563225 2      C-13-H3C(O)CH3
  167118.5297  0.0124 -7.4212 3  648.9670824  595161404511932 0    502229 0      C-13-H3C(O)CH3
  167118.5301  0.0124 -7.4212 3  648.9670824  595161404512032 0    502129 0      C-13-H3C(O)CH3
  167120.5131  0.0339 -5.3065 3  866.8373904  595161404563324 1    563225 1      C-13-H3C(O)CH3
  167123.5427  0.0047 -6.1654 3   11.2831 60  595161404 7 6 2 3     6 3 3 3      C-13-H3C(O)CH3
  167133.0239  0.0378 -5.4560 3  714.2100404  595161404503417 3    503318 3      C-13-H3C(O)CH3
  167136.6427  0.0272 -5.6074 3  866.8395452  595161404563324 4    563225 4      C-13-H3C(O)CH3
  167141.7813  0.0268 -5.6073 3  866.8395452  595161404563324 3    563225 3      C-13-H3C(O)CH3
  167160.7811  0.0154 -5.4000 3  277.9422236  5951614042928 1 4    2927 3 4      C-13-H3C(O)CH3
  167179.5494  0.0068 -4.8724 3  602.5269760  595161404472622 0    472523 0      C-13-H3C(O)CH3
  167182.1960  0.0103 -4.8723 3  602.5101760  595161404472622 2    472523 2      C-13-H3C(O)CH3
  167187.7384  0.0103 -5.8968 3   71.1073132  5951614041611 6 3    1512 3 3      C-13-H3C(O)CH3
  167187.9522  0.0151 -5.0996 3  278.0631472  5951614042928 2 0    2927 2 0      C-13-H3C(O)CH3
  167187.9522  0.0151 -5.0996 3  278.0631472  5951614042928 1 0    2927 3 0      C-13-H3C(O)CH3
  167193.1743  0.0065 -7.1601 3   43.7408216  59516140413 7 6 2    12 8 4 2      C-13-H3C(O)CH3
  167199.0495  0.0075 -4.8722 3  602.5126760  595161404472622 1    472523 1      C-13-H3C(O)CH3
  167201.7668  0.0109 -5.1731 3  602.4957380  595161404472622 4    472523 4      C-13-H3C(O)CH3
  167202.1128  0.0108 -5.1731 3  602.4958380  595161404472622 3    472523 3      C-13-H3C(O)CH3
  167235.6817  0.0052 -7.0376 3   43.7439216  59516140413 7 6 1    12 8 4 1      C-13-H3C(O)CH3
  167262.5645  0.0179 -7.0266 3   75.4765132  5951614041613 4 4    1610 6 4      C-13-H3C(O)CH3
  167272.3550  0.0148 -5.0990 3  278.0032472  5951614042928 1 1    2927 2 1      C-13-H3C(O)CH3
  167277.9530  0.0930 -5.5654 3 1009.2583968  595161404603823 2    603724 2      C-13-H3C(O)CH3
  167282.9844  0.0701 -5.5653 3 1009.2584968  595161404603823 1    603724 1      C-13-H3C(O)CH3
  167320.7143  0.0284 -5.3511 3  713.7249412  595161404512823 3    512724 3      C-13-H3C(O)CH3
  167321.8594  0.0286 -5.3511 3  713.7249412  595161404512823 4    512724 4      C-13-H3C(O)CH3
  167363.1348  0.1784 -5.8969 3 1027.8021492  595161404613526 3    613427 3      C-13-H3C(O)CH3
  167364.9314  0.1774 -5.8969 3 1027.8021492  595161404613526 4    613427 4      C-13-H3C(O)CH3
  167370.8413  0.0283 -5.0500 3  713.7316824  595161404512823 2    512724 2      C-13-H3C(O)CH3
  167380.9538  0.2051 -5.7852 3 1132.1524A32  595161404643727 1    643628 1      C-13-H3C(O)CH3
  167386.4806  0.0114 -5.1008 3  358.9074276  5951614043429 6 4    3428 7 4      C-13-H3C(O)CH3
  167397.4770  0.0164 -5.0499 3  713.7333824  595161404512823 1    512724 1      C-13-H3C(O)CH3
  167433.1967  0.0107 -5.1005 3  358.9113276  5951614043429 6 3    3428 7 3      C-13-H3C(O)CH3
  167446.1362  0.0169 -5.0498 3  713.7399824  595161404512823 0    512724 0      C-13-H3C(O)CH3
  167456.5359  0.0103 -6.2134 3   71.0983132  5951614041611 6 3    1512 4 3      C-13-H3C(O)CH3
  167459.5812  0.0814 -6.2392 3  714.2100404  595161404503416 3    503318 3      C-13-H3C(O)CH3
  167463.5346  0.2914 -5.7849 3 1132.1568A32  595161404643727 2    643628 2      C-13-H3C(O)CH3
  167466.3810  0.0111 -7.3718 3  488.1513356  595161404441727 4    432024 4      C-13-H3C(O)CH3
  167466.4278  0.0111 -7.3718 3  488.1513356  595161404441727 3    432024 3      C-13-H3C(O)CH3
  167466.4739  0.0111 -7.3718 3  488.1513356  595161404441827 4    431924 4      C-13-H3C(O)CH3
  167466.5213  0.0111 -7.3718 3  488.1513356  595161404441827 3    431924 3      C-13-H3C(O)CH3
  167496.0811  0.0648 -5.8686 3 1009.2750484  595161404603823 4    603724 4      C-13-H3C(O)CH3
  167499.1278  0.0109 -7.0712 3  488.1772712  595161404441727 1    432024 1      C-13-H3C(O)CH3
  167499.2124  0.0109 -7.0712 3  488.1772712  595161404441827 1    431924 1      C-13-H3C(O)CH3
  167503.4688  0.0083 -5.3543 3   61.6975248  5951614041510 5 0    1411 4 0      C-13-H3C(O)CH3
  167518.9016  0.0114 -7.0691 3  488.1751712  595161404441727 2    432024 2      C-13-H3C(O)CH3
  167518.9893  0.0114 -7.0691 3  488.1751712  595161404441827 2    431924 2      C-13-H3C(O)CH3
  167547.3471  0.0664 -7.3464 3  637.0737760  595161404473315 2    473215 2      C-13-H3C(O)CH3
  167551.4891  0.0094 -7.0697 3  488.2009712  595161404441727 0    432024 0      C-13-H3C(O)CH3
  167551.5684  0.0094 -7.0697 3  488.2009712  595161404441827 0    431924 0      C-13-H3C(O)CH3
  167556.6726  0.0099 -4.7993 3  358.9379552  5951614043429 6 1    3428 7 1      C-13-H3C(O)CH3
  167563.2190  0.0093 -4.7994 3  358.9565552  5951614043429 6 2    3428 7 2      C-13-H3C(O)CH3
  167594.2735  0.0108 -5.1000 3  358.9193276  5951614043429 5 3    3428 6 3      C-13-H3C(O)CH3
  167598.5023  0.1029 -5.8641 3 1009.2764484  595161404603823 3    603724 3      C-13-H3C(O)CH3
  167609.7325  0.0097 -4.7991 3  358.9602552  5951614043429 5 2    3428 6 2      C-13-H3C(O)CH3
  167631.3212  0.1283 -5.5947 3 1027.7956984  595161404613526 1    613427 1      C-13-H3C(O)CH3
  167634.9569  0.0031 -4.7865 3  296.5000276 -595161404341520 4    341421 4      C-13-H3C(O)CH3
  167634.9569  0.0031 -4.7865 3  296.5000276 -595161404341420 4    341321 4      C-13-H3C(O)CH3
  167634.9569  0.0029 -4.7865 3  296.5000276 -595161404341420 3    341321 3      C-13-H3C(O)CH3
  167634.9569  0.0029 -4.7865 3  296.5000276 -595161404341520 3    341421 3      C-13-H3C(O)CH3
  167639.9389  0.0119 -5.0997 3  358.9231276  5951614043429 5 4    3428 6 4      C-13-H3C(O)CH3
  167654.6965  0.0029 -4.4853 3  296.5221552 -595161404341520 2    341421 2      C-13-H3C(O)CH3
  167654.6965  0.0029 -4.4853 3  296.5221552 -595161404341420 2    341321 2      C-13-H3C(O)CH3
  167664.4176  0.0198 -5.6656 3  264.3488228  5951614042828 1 4    2827 1 4      C-13-H3C(O)CH3
  167666.9151  0.1883 -5.5946 3 1027.7981984  595161404613526 2    613427 2      C-13-H3C(O)CH3
  167666.9727  0.0029 -4.4853 3  296.5243552 -595161404341520 1    341421 1      C-13-H3C(O)CH3
  167666.9727  0.0029 -4.4853 3  296.5243552 -595161404341420 1    341321 1      C-13-H3C(O)CH3
  167686.5443  0.0026 -4.4851 3  296.5463552 -595161404341520 0    341421 0      C-13-H3C(O)CH3
  167686.5443  0.0026 -4.4851 3  296.5463552 -595161404341420 0    341321 0      C-13-H3C(O)CH3
  167701.1598  0.0323 -5.1759 3  770.1108840  595161404523517 0    523418 0      C-13-H3C(O)CH3
  167709.2503  0.3471 -5.9596 3 1221.3855A64  595161404664224 0    664125 0      C-13-H3C(O)CH3
  167721.5341  0.0101 -5.0829 3  433.9196308  5951614043830 9 3    3829 9 3      C-13-H3C(O)CH3
  167735.2772  0.0097 -4.7989 3  358.9867552  5951614043429 5 0    3428 6 0      C-13-H3C(O)CH3
  167735.2800  0.0097 -4.7989 3  358.9867552  5951614043429 6 0    3428 7 0      C-13-H3C(O)CH3
  167747.6215  0.2147 -5.7837 3 1132.1488A32  595161404643727 0    643628 0      C-13-H3C(O)CH3
  167759.2049  0.0511 -7.0740 3  637.0573760  595161404473315 1    473215 1      C-13-H3C(O)CH3
  167764.3766  0.0098 -4.7985 3  358.9496552  5951614043429 5 1    3428 6 1      C-13-H3C(O)CH3
  167782.9124  0.0103 -5.0827 3  433.9006308  5951614043830 9 4    382910 4      C-13-H3C(O)CH3
  167783.7429  0.0058 -5.8631 3   11.1450120  595161404 7 6 2 0     6 3 3 0      C-13-H3C(O)CH3
  167787.1352  0.0713 -6.0863 3  714.1828808  595161404503416 1    503318 1      C-13-H3C(O)CH3
  167820.1232  0.0839 -5.5971 3 1033.8261984  595161404613725 0    613626 0      C-13-H3C(O)CH3
  167825.0182  0.0091 -4.7817 3  433.9200616  5951614043830 9 1    382910 1      C-13-H3C(O)CH3
  167825.4202  1.0775 -7.1107 3 1681.7665628  595161404784632 4    784533 4      C-13-H3C(O)CH3
  167827.0955  1.0789 -7.1107 3 1681.7665628  595161404784632 3    784533 3      C-13-H3C(O)CH3
  167831.9668  0.0095 -4.7816 3  433.9546616  5951614043830 8 2    3829 9 2      C-13-H3C(O)CH3
  167833.2512  0.0118 -5.0824 3  433.9379308  5951614043830 8 4    3829 9 4      C-13-H3C(O)CH3
  167838.4757  0.0100 -6.5129 3   61.7568124  5951614041510 5 3    1411 3 3      C-13-H3C(O)CH3
  167838.5475  0.0647 -6.4868 3  770.1507420  595161404523518 3    523418 3      C-13-H3C(O)CH3
  167840.5766  0.0025 -5.5962 3   45.9791140  59516140417 117 3    16 016 3      C-13-H3C(O)CH3
  167840.5766  0.0025 -5.5962 3   45.9791140  59516140417 017 3    16 116 3      C-13-H3C(O)CH3
  167840.5830  0.0025 -5.2697 3   45.9791140  59516140417 017 4    16 016 4      C-13-H3C(O)CH3
  167840.5830  0.0025 -4.2661 3   45.9791140  59516140417 117 4    16 016 4      C-13-H3C(O)CH3
  167840.5831  0.0025 -4.2439 3   45.9791140 -59516140417 117 3    16 116 3      C-13-H3C(O)CH3
  167840.5831  0.0025 -4.2439 3   45.9791140 -59516140417 017 3    16 016 3      C-13-H3C(O)CH3
  167840.5831  0.0025 -5.2697 3   45.9791140 -59516140417 117 4    16 116 4      C-13-H3C(O)CH3
  167840.5831  0.0025 -4.2661 3   45.9791140 -59516140417 017 4    16 116 4      C-13-H3C(O)CH3
  167847.2019  0.0029 -4.0166 3   45.9073280  59516140417 017 1    16 016 1      C-13-H3C(O)CH3
  167847.2019  0.0029 -4.6397 3   45.9073280  59516140417 117 1    16 016 1      C-13-H3C(O)CH3
  167847.2739  0.0029 -4.6397 3   45.9073280 -59516140417 017 1    16 116 1      C-13-H3C(O)CH3
  167847.2739  0.0028 -3.9762 3   45.9068280 -59516140417 017 2    16 016 2      C-13-H3C(O)CH3
  167847.2739  0.0028 -4.8681 3   45.9068280 -59516140417 117 2    16 016 2      C-13-H3C(O)CH3
  167847.2739  0.0029 -4.0166 3   45.9073280 -59516140417 117 1    16 116 1      C-13-H3C(O)CH3
  167847.2967  0.0028 -3.9762 3   45.9068280  59516140417 117 2    16 116 2      C-13-H3C(O)CH3
  167847.2967  0.0028 -4.8681 3   45.9068280  59516140417 017 2    16 116 2      C-13-H3C(O)CH3
  167853.9009  0.0026 -6.0384 3   45.8351280  59516140417 117 0    16 016 0      C-13-H3C(O)CH3
  167853.9009  0.0026 -3.9270 3   45.8351280  59516140417 017 0    16 016 0      C-13-H3C(O)CH3
  167853.9183  0.0026 -3.9237 3   45.8351280 -59516140417 117 0    16 116 0      C-13-H3C(O)CH3
  167857.9091  0.8691 -6.8095 3 1681.7626C56  595161404784632 1    784533 1      C-13-H3C(O)CH3
  167892.9055  0.0167 -5.3640 3  264.4201456  5951614042828 0 2    2827 1 2      C-13-H3C(O)CH3
  167894.4066  0.0089 -4.7815 3  433.9357616  5951614043830 9 2    382910 2      C-13-H3C(O)CH3
  167896.0018  0.0105 -5.0823 3  433.9189308  5951614043830 8 3    382910 3      C-13-H3C(O)CH3
  167902.6913  0.0174 -5.6646 3  264.3354228  5951614042828 1 3    2827 2 3      C-13-H3C(O)CH3
  167910.1746  0.0079 -5.6278 3   71.0551264  5951614041611 6 2    1512 4 2      C-13-H3C(O)CH3
  167931.3773  0.1346 -5.5935 3 1027.7916984  595161404613526 0    613427 0      C-13-H3C(O)CH3
  167932.9992  0.0671 -5.5967 3 1033.8361984  595161404613725 2    613626 2      C-13-H3C(O)CH3
  167937.0510  0.0097 -4.7812 3  433.9381616  5951614043830 8 1    3829 9 1      C-13-H3C(O)CH3
  167937.1944  0.0090 -4.7814 3  433.9548616  5951614043830 8 0    3829 9 0      C-13-H3C(O)CH3
  167937.5090  0.0090 -4.7814 3  433.9548616  5951614043830 9 0    382910 0      C-13-H3C(O)CH3
  167948.0857  0.1537 -6.6148 3  828.2055436  595161404543619 4    543519 4      C-13-H3C(O)CH3
  167958.7200  0.0761 -5.5966 3 1033.8349984  595161404613725 1    613626 1      C-13-H3C(O)CH3
  167998.5903  0.0186 -5.3636 3  264.4036456  5951614042828 1 1    2827 2 1      C-13-H3C(O)CH3
  168000.1247  0.0174 -5.6643 3  264.3567228  5951614042828 0 3    2827 1 3      C-13-H3C(O)CH3
  168003.1308  0.1023 -5.6621 3 1070.0344A00  595161404623825 0    623726 0      C-13-H3C(O)CH3
  168066.6976  0.0401 -5.8972 3 1033.8449492  595161404613725 4    613626 4      C-13-H3C(O)CH3
  168079.8288  0.0480 -5.8971 3 1033.8451492  595161404613725 3    613626 3      C-13-H3C(O)CH3
  168088.4350  0.0794 -6.5000 3  855.1468888  595161404553619 1    553521 1      C-13-H3C(O)CH3
  168097.0069  0.0419 -5.2355 3  770.1338840  595161404523517 1    523418 1      C-13-H3C(O)CH3
  168129.0995  0.0023 -4.7571 3   20.6577 76  595161404 9 7 2 3     8 6 3 3      C-13-H3C(O)CH3
  168132.7022  0.0166 -5.3630 3  264.4066456  5951614042828 1 2    2827 2 2      C-13-H3C(O)CH3
  168137.3984  0.0048 -6.6151 3  190.2899220  595161404271215 3    261512 3      C-13-H3C(O)CH3
  168139.2575  0.0075 -5.6091 3   71.0455264  5951614041611 6 1    1512 4 1      C-13-H3C(O)CH3
  168140.2312  0.0054 -6.6150 3  190.2898220  595161404271215 4    261512 4      C-13-H3C(O)CH3
  168150.9836  0.0050 -6.3130 3  190.2996440  595161404271215 1    261512 1      C-13-H3C(O)CH3
  168153.1092  0.4802 -5.9581 3 1221.3986A64  595161404664224 2    664125 2      C-13-H3C(O)CH3
  168156.2196  1.1484 -6.8086 3 1681.7799C56  595161404784632 2    784533 2      C-13-H3C(O)CH3
  168162.2905  0.0934 -5.6615 3 1070.0463A00  595161404623825 2    623726 2      C-13-H3C(O)CH3
  168162.4388  0.1045 -6.2376 3  714.1849808  595161404503416 2    503318 2      C-13-H3C(O)CH3
  168188.1459  0.8937 -6.8084 3 1681.7760C56  595161404784632 0    784533 0      C-13-H3C(O)CH3
  168199.3150  0.0910 -5.6614 3 1070.0451A00  595161404623825 1    623726 1      C-13-H3C(O)CH3
  168204.3147  0.0050 -6.3098 3  190.2946440  595161404271215 2    261512 2      C-13-H3C(O)CH3
  168206.4531  0.0636 -5.5195 3  770.1507420  595161404523517 3    523418 3      C-13-H3C(O)CH3
  168210.5139  0.0112 -5.7135 3   61.7444124  5951614041510 5 3    1411 4 3      C-13-H3C(O)CH3
  168216.5436  0.0046 -6.3088 3  190.3044440  595161404271215 0    261512 0      C-13-H3C(O)CH3
  168227.1655  0.0455 -5.2242 3  770.1421840  595161404523517 2    523418 2      C-13-H3C(O)CH3
  168230.0523  0.0174 -5.3630 3  264.4750456  5951614042828 1 0    2827 1 0      C-13-H3C(O)CH3
  168230.0523  0.0174 -5.3630 3  264.4750456  5951614042828 0 0    2827 2 0      C-13-H3C(O)CH3
  168239.0408  0.0174 -5.6633 3  264.3433228  5951614042828 0 4    2827 2 4      C-13-H3C(O)CH3
  168250.1942  0.1361 -6.3925 3  855.1481888  595161404553619 2    553521 2      C-13-H3C(O)CH3
  168279.8821  0.0104 -7.1954 3   21.9933 76 -595161404 9 8 2 4     8 7 1 4      C-13-H3C(O)CH3
  168314.1306  0.3427 -5.9579 3 1221.3980A64  595161404664224 1    664125 1      C-13-H3C(O)CH3
  168336.3039  0.0172 -5.3623 3  264.4115456  5951614042828 0 1    2827 1 1      C-13-H3C(O)CH3
  168350.2610  0.0588 -5.9619 3 1070.0570500  595161404623825 4    623726 4      C-13-H3C(O)CH3
  168369.1133  0.0732 -5.9617 3 1070.0573500  595161404623825 3    623726 3      C-13-H3C(O)CH3
  168398.2196  0.0039 -4.6484 3  449.7404664  595161404412021 0    411922 0      C-13-H3C(O)CH3
  168410.3959  0.0048 -4.6483 3  449.7131664  595161404412021 2    411922 2      C-13-H3C(O)CH3
  168413.8163  0.0039 -4.6484 3  449.7404664  595161404412121 0    412022 0      C-13-H3C(O)CH3
  168414.5091  0.0025 -4.4491 3   20.5421152  595161404 9 7 2 0     8 6 3 0      C-13-H3C(O)CH3
  168426.8886  0.0048 -4.6482 3  449.7131664  595161404412121 2    412022 2      C-13-H3C(O)CH3
  168427.2562  0.0042 -4.6482 3  449.7158664  595161404412021 1    411922 1      C-13-H3C(O)CH3
  168439.5175  0.0050 -4.9491 3  449.6885332  595161404412021 3    411922 3      C-13-H3C(O)CH3
  168439.6041  0.0050 -4.9491 3  449.6884332  595161404412021 4    411922 4      C-13-H3C(O)CH3
  168443.2427  0.0042 -4.6482 3  449.7159664  595161404412121 1    412022 1      C-13-H3C(O)CH3
  168456.4280  0.0050 -4.9490 3  449.6885332  595161404412121 3    412022 3      C-13-H3C(O)CH3
  168456.4664  0.0050 -4.9490 3  449.6885332  595161404412121 4    412022 4      C-13-H3C(O)CH3
  168457.3445  0.0427 -5.4982 3  770.1741420  595161404523517 4    523418 4      C-13-H3C(O)CH3
  168515.7122  0.0120 -7.4644 3  331.9358284  595161404351917 3    342212 3      C-13-H3C(O)CH3
  168525.6879  0.0515 -5.4048 3  916.2825920  595161404573721 0    573622 0      C-13-H3C(O)CH3
  168532.2504  0.0115 -7.4638 3  331.9353284  595161404351917 4    342212 4      C-13-H3C(O)CH3
  168543.3064  0.0945 -6.1353 3  828.1733872  595161404543619 2    543519 2      C-13-H3C(O)CH3
  168557.5752  0.0795 -6.6188 3  637.0645380  595161404473315 3    473215 3      C-13-H3C(O)CH3
  168568.4494  0.0156 -6.6347 3  125.8651328  5951614042018 3 0    1919 0 0      C-13-H3C(O)CH3
  168568.4677  0.0156 -6.6347 3  125.8651328  5951614042018 2 0    1919 1 0      C-13-H3C(O)CH3
  168583.4164  0.0172 -4.9775 3  637.0364760  595161404473314 0    473215 0      C-13-H3C(O)CH3
  168608.6825  0.0060 -6.3811 3   11.2150120  595161404 7 6 1 1     6 3 3 1      C-13-H3C(O)CH3
  168616.7045  0.0028 -4.7696 3  276.1070268 -595161404331420 3    331321 3      C-13-H3C(O)CH3
  168616.7045  0.0030 -4.7696 3  276.1070268 -595161404331320 4    331221 4      C-13-H3C(O)CH3
  168616.7045  0.0028 -4.7696 3  276.1070268 -595161404331320 3    331221 3      C-13-H3C(O)CH3
  168616.7045  0.0030 -4.7696 3  276.1070268 -595161404331420 4    331321 4      C-13-H3C(O)CH3
  168621.7928  0.0114 -5.6513 3   61.6953248  5951614041510 5 2    1411 4 2      C-13-H3C(O)CH3
  168623.9285  0.0811 -6.1257 3  828.1678872  595161404543619 1    543519 1      C-13-H3C(O)CH3
  168624.9997  0.0120 -7.1579 3  331.9550568  595161404351917 2    342212 2      C-13-H3C(O)CH3
  168627.1393  0.0063 -6.4044 3   11.2134120  595161404 7 6 1 2     6 3 3 2      C-13-H3C(O)CH3
  168650.9507  0.0028 -4.4683 3  276.1265536 -595161404331320 2    331221 2      C-13-H3C(O)CH3
  168650.9507  0.0028 -4.4683 3  276.1265536 -595161404331420 2    331321 2      C-13-H3C(O)CH3
  168662.2207  0.0028 -4.4683 3  276.1285536 -595161404331320 1    331221 1      C-13-H3C(O)CH3
  168662.2207  0.0028 -4.4683 3  276.1285536 -595161404331420 1    331321 1      C-13-H3C(O)CH3
  168674.5288  0.0118 -7.1594 3  331.9584568  595161404351917 1    342212 1      C-13-H3C(O)CH3
  168682.5358  0.0175 -4.9805 3  637.0573760  595161404473314 1    473215 1      C-13-H3C(O)CH3
  168691.8549  0.0091 -5.7836 3  148.6045188  5951614042315 8 3    231211 3      C-13-H3C(O)CH3
  168696.3845  0.0025 -4.4680 3  276.1479536 -595161404331420 0    331321 0      C-13-H3C(O)CH3
  168696.3845  0.0025 -4.4680 3  276.1479536 -595161404331320 0    331221 0      C-13-H3C(O)CH3
  168698.5186  0.0484 -5.4183 3  916.3023920  595161404573721 1    573622 1      C-13-H3C(O)CH3
  168700.3188  0.0053 -4.5963 3   20.5962152  595161404 9 7 2 2     8 6 3 2      C-13-H3C(O)CH3
  168702.5243  0.0148 -4.9788 3  637.0737760  595161404473314 2    473215 2      C-13-H3C(O)CH3
  168715.6116  0.0520 -5.4225 3  916.3030920  595161404573721 2    573622 2      C-13-H3C(O)CH3
  168721.7619  0.0143 -5.2785 3  637.0976380  595161404473314 4    473215 4      C-13-H3C(O)CH3
  168736.5634  0.4287 -6.2563 3 1221.4110532  595161404664224 3    664125 3      C-13-H3C(O)CH3
  168755.3688  0.0575 -5.7454 3  916.3203460  595161404573721 4    573622 4      C-13-H3C(O)CH3
  168765.1687  0.0083 -7.0441 3  349.6967300  595161404371522 4    361819 4      C-13-H3C(O)CH3
  168765.2617  0.0083 -7.0441 3  349.6967300  595161404371522 3    361819 3      C-13-H3C(O)CH3
  168766.7979  0.0084 -6.7431 3  349.7250600  595161404371522 1    361819 1      C-13-H3C(O)CH3
  168769.9258  0.4946 -6.2587 3 1221.4120532  595161404664224 4    664125 4      C-13-H3C(O)CH3
  168771.9755  0.0063 -5.4821 3  148.6029376  5951614042315 8 1    231211 1      C-13-H3C(O)CH3
  168773.1838  0.0171 -4.9766 3  637.0293760  595161404473315 0    473216 0      C-13-H3C(O)CH3
  168773.3081  0.0066 -5.4796 3  148.5966376  5951614042315 8 2    231211 2      C-13-H3C(O)CH3
  168777.7647  0.0083 -7.0440 3  349.6963300  595161404371622 4    361719 4      C-13-H3C(O)CH3
  168777.8959  0.0083 -7.0440 3  349.6963300  595161404371622 3    361719 3      C-13-H3C(O)CH3
  168778.7802  0.0114 -7.1541 3  331.9776568  595161404351917 0    342212 0      C-13-H3C(O)CH3
  168778.8836  0.0084 -6.7431 3  349.7246600  595161404371622 1    361719 1      C-13-H3C(O)CH3
  168781.7046  0.0050 -4.6221 3   20.5946152  595161404 9 7 2 1     8 6 3 1      C-13-H3C(O)CH3
  168786.5969  0.0048 -5.7885 3  148.6048188  5951614042315 8 4    231211 4      C-13-H3C(O)CH3
  168789.8370  0.0161 -5.2979 3  637.0645380  595161404473314 3    473215 3      C-13-H3C(O)CH3
  168796.0636  0.0177 -4.9800 3  637.0227760  595161404473315 1    473216 1      C-13-H3C(O)CH3
  168805.7673  0.0048 -5.4767 3  148.5949376  5951614042315 8 0    231211 0      C-13-H3C(O)CH3
  168807.0302  0.0084 -6.7405 3  349.7213600  595161404371522 2    361819 2      C-13-H3C(O)CH3
  168808.4073  0.0072 -6.7406 3  349.7496600  595161404371522 0    361819 0      C-13-H3C(O)CH3
  168819.5860  0.0084 -6.7404 3  349.7209600  595161404371622 2    361719 2      C-13-H3C(O)CH3
  168820.4226  0.0072 -6.7405 3  349.7491600  595161404371622 0    361719 0      C-13-H3C(O)CH3
  168855.9661  0.0139 -6.6321 3  125.8658328  5951614042018 2 2    1919 0 2      C-13-H3C(O)CH3
  168904.1692  0.0155 -6.6331 3  125.7847328  5951614042018 3 1    1919 1 1      C-13-H3C(O)CH3
  168933.6019  0.0195 -4.9779 3  637.0274760  595161404473315 2    473216 2      C-13-H3C(O)CH3
  168945.5412  0.0144 -6.7095 3   75.4427264  5951614041613 4 1    1610 6 1      C-13-H3C(O)CH3
  168965.5647  0.0127 -5.1362 3  342.8033268  5951614043329 5 4    3328 6 4      C-13-H3C(O)CH3
  168968.5273  0.0202 -5.2972 3  637.0508380  595161404473315 3    473216 3      C-13-H3C(O)CH3
  168971.2934  0.0149 -6.6319 3  125.8485328  5951614042018 2 1    1919 0 1      C-13-H3C(O)CH3
  168980.2580  0.0088 -5.8322 3   71.0309132  5951614041611 6 4    1512 4 4      C-13-H3C(O)CH3
  168987.0104  0.0107 -5.6664 3   61.6870248  5951614041510 5 1    1411 4 1      C-13-H3C(O)CH3
  169005.4181  0.0175 -5.0419 3  713.7408824  595161404512923 2    512824 2      C-13-H3C(O)CH3
  169009.7751  0.0185 -5.3428 3  713.7345412  595161404512923 4    512824 4      C-13-H3C(O)CH3
  169011.0289  0.0182 -5.3428 3  713.7345412  595161404512923 3    512824 3      C-13-H3C(O)CH3
  169013.1492  0.0132 -5.0421 3  713.7486824  595161404512923 0    512824 0      C-13-H3C(O)CH3
  169017.4884  0.0055 -6.5871 3   11.2840 60  595161404 7 6 1 4     6 3 3 4      C-13-H3C(O)CH3
  169017.6403  0.0143 -5.0419 3  713.7424824  595161404512923 1    512824 1      C-13-H3C(O)CH3
  169019.0181  0.0159 -6.6318 3  125.7936328  5951614042018 3 2    1919 1 2      C-13-H3C(O)CH3
  169035.9028  0.0226 -5.2772 3  637.0178380  595161404473315 4    473216 4      C-13-H3C(O)CH3
  169050.3365  0.0671 -5.5284 3  998.1603968  595161404603625 0    603526 0      C-13-H3C(O)CH3
  169053.8795  0.0116 -5.1357 3  342.8041268  5951614043329 5 3    3328 6 3      C-13-H3C(O)CH3
  169061.1019  0.0107 -5.1214 3  496.9453332  595161404413111 3    413011 3      C-13-H3C(O)CH3
  169064.7268  0.2154 -6.5126 3  855.1616444  595161404553619 4    553521 4      C-13-H3C(O)CH3
  169076.5017  0.1798 -7.3554 3 1081.7496500  595161404624023 4    623923 4      C-13-H3C(O)CH3
  169093.0665  0.0728 -5.7043 3  916.3255460  595161404573721 3    573622 3      C-13-H3C(O)CH3
  169104.3313  0.0120 -5.1207 3  496.9692332  595161404413110 4    413011 4      C-13-H3C(O)CH3
  169110.5978  0.0101 -4.8198 3  496.9709664  595161404413110 2    413011 2      C-13-H3C(O)CH3
  169117.0899  0.0491 -5.5281 3  998.1687968  595161404603625 2    603526 2      C-13-H3C(O)CH3
  169133.7624  0.0627 -5.5280 3  998.1676968  595161404603625 1    603526 1      C-13-H3C(O)CH3
  169135.5500  0.0100 -4.8197 3  496.9288664  595161404413111 1    413012 1      C-13-H3C(O)CH3
  169152.5218  0.0103 -4.8347 3  342.8574536  5951614043329 5 2    3328 6 2      C-13-H3C(O)CH3
  169173.8672  0.0109 -4.8346 3  342.8385536  5951614043329 5 1    3328 6 1      C-13-H3C(O)CH3
  169178.6660  0.0102 -4.8195 3  496.9527664  595161404413110 1    413011 1      C-13-H3C(O)CH3
  169184.8418  0.0096 -4.8197 3  496.9542664  595161404413110 0    413011 0      C-13-H3C(O)CH3
  169186.2316  0.0115 -5.1205 3  496.9159332  595161404413111 4    413012 4      C-13-H3C(O)CH3
  169188.2374  0.0096 -4.8197 3  496.9541664  595161404413111 0    413012 0      C-13-H3C(O)CH3
  169188.9061  0.0160 -6.9316 3  125.7854164  5951614042018 2 3    1919 0 3      C-13-H3C(O)CH3
  169197.9142  0.0331 -5.8288 3  998.1760484  595161404603625 4    603526 4      C-13-H3C(O)CH3
  169200.7891  0.0855 -6.6153 3  637.0508380  595161404473314 3    473216 3      C-13-H3C(O)CH3
  169203.2103  0.0117 -5.1353 3  342.8155268  5951614043329 4 3    3328 5 3      C-13-H3C(O)CH3
  169206.7393  0.0358 -5.8287 3  998.1761484  595161404603625 3    603526 3      C-13-H3C(O)CH3
  169224.7841  0.0312 -5.2300 3  770.0619840  595161404523518 1    523419 1      C-13-H3C(O)CH3
  169230.7836  0.0113 -5.1208 3  496.9399332  595161404413110 3    413012 3      C-13-H3C(O)CH3
  169237.0839  0.0100 -4.8194 3  496.9415664  595161404413111 2    413012 2      C-13-H3C(O)CH3
  169241.0719  0.0106 -4.8343 3  342.8580536  5951614043329 4 2    3328 5 2      C-13-H3C(O)CH3
  169249.2772  0.0429 -5.2641 3  828.1436872  595161404543618 0    543519 0      C-13-H3C(O)CH3
  169255.6637  1.2600 -6.7550 3 1652.1773C40  595161404774829 0    774730 0      C-13-H3C(O)CH3
  169257.7963  0.0176 -6.9304 3  125.8492164  5951614042018 2 4    1919 0 4      C-13-H3C(O)CH3
  169260.8966  0.1715 -6.5931 3  888.3757452  595161404563720 4    563620 4      C-13-H3C(O)CH3
  169277.8935  0.0295 -5.1680 3  770.0496840  595161404523518 0    523419 0      C-13-H3C(O)CH3
  169278.9476  0.0359 -5.2191 3  770.0640840  595161404523518 2    523419 2      C-13-H3C(O)CH3
  169289.9062  0.1429 -6.9182 3  714.1818404  595161404503416 4    503318 4      C-13-H3C(O)CH3
  169290.7554  0.0124 -5.1348 3  342.8161268  5951614043329 4 4    3328 5 4      C-13-H3C(O)CH3
  169342.9424  1.5659 -6.7548 3 1652.1811C40  595161404774829 2    774730 2      C-13-H3C(O)CH3
  169348.2573  0.0651 -6.9040 3  828.1878436  595161404543619 3    543519 3      C-13-H3C(O)CH3
  169349.8481  0.0159 -6.9313 3  125.7134164  5951614042018 3 4    1919 1 4      C-13-H3C(O)CH3
  169363.0255  0.0106 -4.8342 3  342.8924536  5951614043329 4 0    3328 5 0      C-13-H3C(O)CH3
  169363.0258  0.0106 -4.8342 3  342.8924536  5951614043329 5 0    3328 6 0      C-13-H3C(O)CH3
  169388.5208  0.0471 -5.4938 3  770.0673420  595161404523518 4    523419 4      C-13-H3C(O)CH3
  169390.1473  0.0169 -7.0665 3   75.4745132  5951614041613 4 3    1610 6 3      C-13-H3C(O)CH3
  169411.9175  0.0105 -4.8337 3  342.8505536  5951614043329 4 1    3328 5 1      C-13-H3C(O)CH3
  169418.8012  0.0154 -6.9300 3  125.7771164  5951614042018 3 3    1919 1 3      C-13-H3C(O)CH3
  169457.1361  0.0054 -7.4709 3    7.8489 52  595161404 6 6 1 4     5 3 3 4      C-13-H3C(O)CH3
  169469.0396  0.0146 -6.7083 3   75.4361264  5951614041613 4 2    1610 6 2      C-13-H3C(O)CH3
  169472.5395  0.0117 -5.1869 3  564.6773356  595161404443212 4    443113 4      C-13-H3C(O)CH3
  169476.4072  0.0112 -4.8860 3  564.6650712  595161404443212 2    443113 2      C-13-H3C(O)CH3
  169483.7752  0.0170 -6.4710 3  150.8616188  5951614042316 8 4    231310 4      C-13-H3C(O)CH3
  169494.0187  0.0119 -4.8859 3  564.6349712  595161404443212 0    443113 0      C-13-H3C(O)CH3
  169498.0930  0.0116 -5.1876 3  564.6482356  595161404443212 3    443113 3      C-13-H3C(O)CH3
  169498.7267  0.0030 -4.7567 3  256.2947260 -595161404321320 4    321221 4      C-13-H3C(O)CH3
  169498.7267  0.0027 -4.7567 3  256.2947260 -595161404321220 3    321121 3      C-13-H3C(O)CH3
  169498.7267  0.0027 -4.7567 3  256.2947260 -595161404321320 3    321221 3      C-13-H3C(O)CH3
  169498.7267  0.0030 -4.7567 3  256.2947260 -595161404321220 4    321121 4      C-13-H3C(O)CH3
  169502.5784  0.0120 -4.8859 3  564.6468712  595161404443212 1    443113 1      C-13-H3C(O)CH3
  169514.6071  0.0034 -7.2194 3    6.8487 52  595161404 6 5 1 3     5 2 4 3      C-13-H3C(O)CH3
  169522.3888  0.0119 -4.8858 3  564.6338712  595161404443213 0    443114 0      C-13-H3C(O)CH3
  169529.8653  0.0128 -4.8858 3  564.6177712  595161404443213 1    443114 1      C-13-H3C(O)CH3
  169544.8553  0.0096 -4.8212 3  574.6530744  595161404462422 2    462323 2      C-13-H3C(O)CH3
  169546.8544  0.0059 -4.8213 3  574.6720744  595161404462422 0    462323 0      C-13-H3C(O)CH3
  169549.4460  0.0027 -4.4553 3  256.3108520 -595161404321220 2    321121 2      C-13-H3C(O)CH3
  169549.4460  0.0027 -4.4553 3  256.3108520 -595161404321320 2    321221 2      C-13-H3C(O)CH3
  169554.9782  0.2454 -5.8233 3 1150.4696A32  595161404644123 0    644024 0      C-13-H3C(O)CH3
  169559.7619  0.0027 -4.4554 3  256.3126520 -595161404321320 1    321221 1      C-13-H3C(O)CH3
  169559.7619  0.0027 -4.4554 3  256.3126520 -595161404321220 1    321121 1      C-13-H3C(O)CH3
  169562.9480  0.0101 -5.1220 3  574.6364372  595161404462422 3    462323 3      C-13-H3C(O)CH3
  169563.2542  0.0101 -5.1220 3  574.6363372  595161404462422 4    462323 4      C-13-H3C(O)CH3
  169565.0728  0.0063 -4.8211 3  574.6555744  595161404462422 1    462323 1      C-13-H3C(O)CH3
  169609.6134  0.0063 -5.1541 3   20.6416 76  595161404 9 7 2 4     8 6 3 4      C-13-H3C(O)CH3
  169610.3042  0.0025 -4.4549 3  256.3288520 -595161404321320 0    321221 0      C-13-H3C(O)CH3
  169610.3042  0.0025 -4.4549 3  256.3288520 -595161404321220 0    321121 0      C-13-H3C(O)CH3
  169625.8481  0.0119 -6.0923 3  109.6129312  5951614041916 4 0    1817 1 0      C-13-H3C(O)CH3
  169627.6397  0.0119 -6.0923 3  109.6129312  5951614041916 3 0    1817 2 0      C-13-H3C(O)CH3
  169628.7538  0.0158 -6.9071 3   75.4745132  5951614041613 3 3    1610 6 3      C-13-H3C(O)CH3
  169639.5758  0.0442 -5.5124 3  770.0906420  595161404523518 3    523419 3      C-13-H3C(O)CH3
  169650.0827  0.0059 -7.4596 3   54.2650116  5951614041410 4 4    14 7 8 4      C-13-H3C(O)CH3
  169652.7782  0.0132 -5.1870 3  564.6388356  595161404443213 3    443114 3      C-13-H3C(O)CH3
  169656.5351  0.0126 -4.8853 3  564.6266712  595161404443213 2    443114 2      C-13-H3C(O)CH3
  169663.4584  0.0996 -6.2657 3  888.3448904  595161404563720 2    563620 2      C-13-H3C(O)CH3
  169676.0851  0.0585 -5.3270 3  828.1678872  595161404543618 1    543519 1      C-13-H3C(O)CH3
  169677.2442  0.0146 -5.1861 3  564.6098356  595161404443213 4    443114 4      C-13-H3C(O)CH3
  169699.9798  0.0917 -6.3135 3  888.3418904  595161404563720 1    563620 1      C-13-H3C(O)CH3
  169719.3946  0.0576 -7.0640 3  637.0227760  595161404473314 1    473216 1      C-13-H3C(O)CH3
  169732.1169  0.0058 -4.8204 3  574.6728744  595161404462522 0    462423 0      C-13-H3C(O)CH3
  169739.8357  0.0088 -4.8202 3  574.6538744  595161404462522 2    462423 2      C-13-H3C(O)CH3
  169756.3872  0.0064 -4.8202 3  574.6563744  595161404462522 1    462423 1      C-13-H3C(O)CH3
  169764.2381  0.0093 -5.1210 3  574.6372372  595161404462522 4    462423 4      C-13-H3C(O)CH3
  169764.3550  0.0092 -5.1210 3  574.6372372  595161404462522 3    462423 3      C-13-H3C(O)CH3
  169812.0088  0.0107 -6.0904 3  109.6318312  5951614041916 3 2    1817 1 2      C-13-H3C(O)CH3
  169815.0870  0.0789 -5.5832 3  828.1878436  595161404543618 3    543519 3      C-13-H3C(O)CH3
  169816.2261  0.0748 -5.3249 3  828.1733872  595161404543618 2    543519 2      C-13-H3C(O)CH3
  169830.3721  0.1201 -5.7226 3 1106.8002A16  595161404633925 0    633826 0      C-13-H3C(O)CH3
  169846.3411  0.0074 -5.9711 3   88.8682296  5951614041811 7 2    18 810 2      C-13-H3C(O)CH3
  169867.2535  0.0069 -5.9670 3   88.8432296  5951614041811 7 0    18 810 0      C-13-H3C(O)CH3
  169914.1488  1.1936 -6.7523 3 1652.1708C40  595161404774829 1    774730 1      C-13-H3C(O)CH3
  169919.3113  0.0104 -5.0840 3  415.7714300  5951614043730 8 3    3729 9 3      C-13-H3C(O)CH3
  169942.3684  0.1247 -7.0553 3 1015.1190968  595161404603922 1    603822 1      C-13-H3C(O)CH3
  169943.8828  0.0105 -5.0840 3  415.7566300  5951614043730 8 4    3729 9 4      C-13-H3C(O)CH3
  169944.3048  0.1263 -6.9871 3 1015.1190968  595161404603922 2    603822 2      C-13-H3C(O)CH3
  169978.1498  0.0115 -6.0896 3  109.6181312  5951614041916 3 1    1817 1 1      C-13-H3C(O)CH3
  169980.9593  0.1769 -6.9520 3 1015.1449484  595161404603922 4    603822 4      C-13-H3C(O)CH3
  169988.3398  0.1803 -6.6995 3  950.6878468  595161404583821 4    583721 4      C-13-H3C(O)CH3
  169993.1398  0.0081 -6.2791 3   88.8957148  5951614041811 7 3    18 810 3      C-13-H3C(O)CH3
  169994.1110  0.0047 -6.9690 3    6.7761104  595161404 6 5 1 2     5 2 4 2      C-13-H3C(O)CH3
  169997.3644  1.3823 -7.0530 3 1652.1746620  595161404774829 4    774730 4      C-13-H3C(O)CH3
  170003.3097  1.3684 -7.0532 3 1652.1748620  595161404774829 3    774730 3      C-13-H3C(O)CH3
  170005.1115  0.0047 -6.9787 3    6.7766104  595161404 6 5 1 1     5 2 4 1      C-13-H3C(O)CH3
  170007.4814  0.0858 -6.4758 3  770.0906420  595161404523517 3    523419 3      C-13-H3C(O)CH3
  170013.3948  0.3616 -5.8232 3 1150.4863A32  595161404644123 2    644024 2      C-13-H3C(O)CH3
  170015.8027  0.0046 -6.9104 3    6.7042104  595161404 6 5 1 0     5 2 4 0      C-13-H3C(O)CH3
  170027.8998  0.1230 -5.7219 3 1106.8144A16  595161404633925 2    633826 2      C-13-H3C(O)CH3
  170028.9861  0.0074 -5.9742 3   88.8707296  5951614041811 7 1    18 810 1      C-13-H3C(O)CH3
  170029.0423  0.0102 -6.2795 3   88.8958148  5951614041811 7 4    18 810 4      C-13-H3C(O)CH3
  170029.6660  0.0119 -6.0902 3  109.5444312  5951614041916 4 1    1817 2 1      C-13-H3C(O)CH3
  170032.1948  0.0093 -4.7828 3  415.7790600  5951614043730 8 1    3729 9 1      C-13-H3C(O)CH3
  170047.8090  0.1059 -5.6697 3 1075.6383A00  595161404623924 0    623825 0      C-13-H3C(O)CH3
  170049.4003  0.0096 -4.7827 3  415.8109600  5951614043730 7 2    3729 8 2      C-13-H3C(O)CH3
  170064.0787  0.0121 -5.0835 3  415.7890300  5951614043730 7 4    3729 8 4      C-13-H3C(O)CH3
  170066.0922  0.0118 -6.0893 3  109.5565312  5951614041916 4 2    1817 2 2      C-13-H3C(O)CH3
  170074.6509  0.0090 -4.7828 3  415.7963600  5951614043730 8 2    3729 9 2      C-13-H3C(O)CH3
  170076.5463  0.1056 -5.7218 3 1106.8136A16  595161404633925 1    633826 1      C-13-H3C(O)CH3
  170088.7791  0.0772 -7.3333 3  637.0274760  595161404473314 2    473216 2      C-13-H3C(O)CH3
  170089.9672  0.0106 -5.0835 3  415.7743300  5951614043730 7 3    3729 8 3      C-13-H3C(O)CH3
  170101.8910  0.2505 -5.8234 3 1150.4867A32  595161404644123 1    644024 1      C-13-H3C(O)CH3
  170114.4872  0.0036 -4.6112 3  425.2982648  595161404401921 0    401822 0      C-13-H3C(O)CH3
  170120.1037  0.0036 -4.6112 3  425.2982648  595161404402021 0    401922 0      C-13-H3C(O)CH3
  170125.3947  0.0043 -4.6110 3  425.2699648  595161404401921 2    401822 2      C-13-H3C(O)CH3
  170129.1294  0.0076 -6.1434 3   94.5674156  595161404191010 4    1811 7 4      C-13-H3C(O)CH3
  170131.3531  0.0043 -4.6110 3  425.2699648  595161404402021 2    401922 2      C-13-H3C(O)CH3
  170140.7750  0.0039 -4.6110 3  425.2726648  595161404401921 1    401822 1      C-13-H3C(O)CH3
  170146.5291  0.0039 -4.6110 3  425.2726648  595161404402021 1    401922 1      C-13-H3C(O)CH3
  170151.7658  0.0045 -4.9119 3  425.2443324  595161404401921 3    401822 3      C-13-H3C(O)CH3
  170151.8121  0.0045 -4.9119 3  425.2443324  595161404401921 4    401822 4      C-13-H3C(O)CH3
  170157.7545  0.0697 -5.6023 3  828.2055436  595161404543618 4    543519 4      C-13-H3C(O)CH3
  170157.8724  0.0045 -4.9118 3  425.2443324  595161404402021 3    401922 3      C-13-H3C(O)CH3
  170157.8988  0.0045 -4.9118 3  425.2443324  595161404402021 4    401922 4      C-13-H3C(O)CH3
  170164.1943  0.0272 -5.2382 3  833.9309888  595161404553224 2    553125 2      C-13-H3C(O)CH3
  170164.2252  0.0144 -6.3887 3  109.6370156  5951614041916 3 4    1817 1 4      C-13-H3C(O)CH3
  170164.2333  0.0093 -4.7826 3  415.8183600  5951614043730 7 0    3729 8 0      C-13-H3C(O)CH3
  170164.2850  0.0093 -4.7826 3  415.8183600  5951614043730 8 0    3729 9 0      C-13-H3C(O)CH3
  170167.1694  0.0278 -5.5391 3  833.9319444  595161404553224 4    553125 4      C-13-H3C(O)CH3
  170167.2910  0.0067 -6.1430 3   94.5661156  595161404191010 3    1811 7 3      C-13-H3C(O)CH3
  170167.9905  0.0269 -5.2383 3  833.9304888  595161404553224 0    553125 0      C-13-H3C(O)CH3
  170170.2394  0.0273 -5.5391 3  833.9319444  595161404553224 3    553125 3      C-13-H3C(O)CH3
  170171.4440  0.0277 -5.2382 3  833.9314888  595161404553224 1    553125 1      C-13-H3C(O)CH3
  170177.1314  0.1033 -6.5482 3  950.6592936  595161404583821 2    583721 2      C-13-H3C(O)CH3
  170177.6348  0.0099 -4.7823 3  415.7965600  5951614043730 7 1    3729 8 1      C-13-H3C(O)CH3
  170182.8076  0.1035 -6.6288 3  950.6580936  595161404583821 1    583721 1      C-13-H3C(O)CH3
  170201.1135  0.0119 -6.4168 3  150.8588376  5951614042316 8 1    231310 1      C-13-H3C(O)CH3
  170213.8364  0.0127 -6.3893 3  109.5632156  5951614041916 4 3    1817 1 3      C-13-H3C(O)CH3
  170227.7336  0.0086 -6.7364 3   63.2286124  5951614041511 5 4    15 8 8 4      C-13-H3C(O)CH3
  170239.2603  0.0106 -6.3388 3   21.9117152  595161404 9 8 2 1     8 7 1 1      C-13-H3C(O)CH3
  170243.9435  0.0045 -7.3571 3    6.8486 52  595161404 6 5 1 4     5 2 4 4      C-13-H3C(O)CH3
  170252.4801  0.0834 -6.0426 3  770.0619840  595161404523517 1    523419 1      C-13-H3C(O)CH3
  170261.7259  0.0836 -6.0223 3 1106.8278508  595161404633925 4    633826 4      C-13-H3C(O)CH3
  170287.5119  0.1063 -6.0219 3 1106.8282508  595161404633925 3    633826 3      C-13-H3C(O)CH3
  170290.7522  0.0030 -4.7482 3  237.0650252 -595161404311220 4    311121 4      C-13-H3C(O)CH3
  170290.7522  0.0026 -4.7482 3  237.0650252 -595161404311220 3    311121 3      C-13-H3C(O)CH3
  170290.7522  0.0030 -4.7482 3  237.0650252 -595161404311120 4    311021 4      C-13-H3C(O)CH3
  170290.7522  0.0026 -4.7482 3  237.0650252 -595161404311120 3    311021 3      C-13-H3C(O)CH3
  170296.7241  0.1205 -5.6692 3 1075.6555A00  595161404623924 2    623825 2      C-13-H3C(O)CH3
  170298.1662  0.0060 -5.8379 3   94.5422312  595161404191010 1    1811 7 1      C-13-H3C(O)CH3
  170314.7257  0.0774 -7.0281 3  689.8016792  595161404493416 2    493316 2      C-13-H3C(O)CH3
  170327.3176  0.0920 -5.6692 3 1075.6556A00  595161404623924 1    623825 1      C-13-H3C(O)CH3
  170342.9927  0.0136 -6.0539 3   61.6808124  5951614041510 5 4    1411 4 4      C-13-H3C(O)CH3
  170359.5890  0.0026 -4.4467 3  237.0771504 -595161404311120 2    311021 2      C-13-H3C(O)CH3
  170359.5890  0.0026 -4.4467 3  237.0771504 -595161404311220 2    311121 2      C-13-H3C(O)CH3
  170369.0310  0.0026 -4.4467 3  237.0787504 -595161404311120 1    311021 1      C-13-H3C(O)CH3
  170369.0310  0.0026 -4.4467 3  237.0787504 -595161404311220 1    311121 1      C-13-H3C(O)CH3
  170375.5031  0.0144 -5.1909 3  327.2157260  5951614043229 4 4    3228 5 4      C-13-H3C(O)CH3
  170392.6346  0.0586 -5.3600 3  888.3169904  595161404563719 0    563620 0      C-13-H3C(O)CH3
  170416.3477  0.0122 -6.3877 3  109.5617156  5951614041916 3 3    1817 2 3      C-13-H3C(O)CH3
  170437.5885  0.0024 -4.4462 3  237.0907504 -595161404311220 0    311121 0      C-13-H3C(O)CH3
  170437.5885  0.0024 -4.4462 3  237.0907504 -595161404311120 0    311021 0      C-13-H3C(O)CH3
  170447.0919  0.0127 -6.2640 3   21.9112152  595161404 9 8 2 2     8 7 1 2      C-13-H3C(O)CH3
  170464.1424  0.0127 -6.3882 3  109.4881156  5951614041916 4 4    1817 2 4      C-13-H3C(O)CH3
  170470.7464  0.0060 -5.8320 3   94.5337312  595161404191010 2    1811 7 2      C-13-H3C(O)CH3
  170506.5400  0.0128 -5.1902 3  327.2139260  5951614043229 4 3    3228 5 3      C-13-H3C(O)CH3
  170517.0227  0.3177 -6.1203 3 1150.5028516  595161404644123 3    644024 3      C-13-H3C(O)CH3
  170517.0266  0.0622 -6.7850 3  689.7870792  595161404493416 1    493316 1      C-13-H3C(O)CH3
  170543.4242  0.0073 -7.2061 3    7.7793104  595161404 6 6 1 1     5 3 3 1      C-13-H3C(O)CH3
  170546.1902  0.0855 -5.9706 3 1075.6726500  595161404623924 4    623825 4      C-13-H3C(O)CH3
  170568.3090  0.1267 -6.1195 3  770.0640840  595161404523517 2    523419 2      C-13-H3C(O)CH3
  170569.5249  0.0116 -4.8894 3  327.2748520  5951614043229 4 2    3228 4 2      C-13-H3C(O)CH3
  170591.2767  0.3995 -6.1278 3 1150.5046516  595161404644123 4    644024 4      C-13-H3C(O)CH3
  170605.3906  0.1224 -5.9687 3 1075.6735500  595161404623924 3    623825 3      C-13-H3C(O)CH3
  170617.3204  0.0054 -5.8279 3   94.5094312  595161404191010 0    1811 7 0      C-13-H3C(O)CH3
  170618.5967  0.0124 -4.8892 3  327.2561520  5951614043229 4 1    3228 5 1      C-13-H3C(O)CH3
  170641.4653  0.0129 -5.1899 3  327.2286260  5951614043229 3 3    3228 4 3      C-13-H3C(O)CH3
  170682.0743  0.0092 -5.7310 3  162.7331196  5951614042416 8 3    241311 3      C-13-H3C(O)CH3
  170699.9463  0.0089 -7.2118 3    7.7789104  595161404 6 6 1 2     5 3 3 2      C-13-H3C(O)CH3
  170701.2270  0.0118 -4.8888 3  327.2729520  5951614043229 3 2    3228 5 2      C-13-H3C(O)CH3
  170708.3945  0.1708 -5.6952 3 1081.7070A00  595161404624022 0    623923 0      C-13-H3C(O)CH3
  170747.9912  0.0470 -5.4845 3  801.5394436  595161404543024 3    542925 3      C-13-H3C(O)CH3
  170749.3451  0.0472 -5.4844 3  801.5394436  595161404543024 4    542925 4      C-13-H3C(O)CH3
  170749.6910  0.0110 -6.5938 3  150.8478376  5951614042316 8 2    231310 2      C-13-H3C(O)CH3
  170757.1837  0.0036 -4.8504 3   25.2832 84 -59516140410 7 4 4     9 6 3 4      C-13-H3C(O)CH3
  170772.0962  0.0133 -5.1892 3  327.2267260  5951614043229 3 4    3228 4 4      C-13-H3C(O)CH3
  170787.0489  0.0125 -5.8152 3   71.1747132  5951614041611 5 4    1512 3 4      C-13-H3C(O)CH3
  170815.0874  0.0120 -4.8887 3  327.3152520  5951614043229 3 0    3228 4 0      C-13-H3C(O)CH3
  170815.0874  0.0120 -4.8887 3  327.3152520  5951614043229 4 0    3228 5 0      C-13-H3C(O)CH3
  170824.0838  0.0673 -5.5038 3  979.5584952  595161404593822 0    593723 0      C-13-H3C(O)CH3
  170829.2204  0.0797 -5.4097 3  888.3418904  595161404563719 1    563620 1      C-13-H3C(O)CH3
  170834.8366  0.0072 -5.4341 3  162.7355392  5951614042416 8 1    241311 1      C-13-H3C(O)CH3
  170843.6328  0.0478 -5.1831 3  801.5408872  595161404543024 2    542925 2      C-13-H3C(O)CH3
  170851.6127  0.1582 -7.4125 3  944.9888468  595161404583721 4    583623 4      C-13-H3C(O)CH3
  170862.5342  0.0293 -5.1830 3  801.5415872  595161404543024 1    542925 1      C-13-H3C(O)CH3
  170871.2184  0.0062 -5.7465 3  162.7336196  5951614042416 8 4    241311 4      C-13-H3C(O)CH3
  170885.4615  0.0117 -4.8882 3  327.2689520  5951614043229 3 1    3228 4 1      C-13-H3C(O)CH3
  170954.0831  0.1161 -5.4157 3  888.3448904  595161404563719 2    563620 2      C-13-H3C(O)CH3
  170955.9434  0.0304 -5.1827 3  801.5429872  595161404543024 0    542925 0      C-13-H3C(O)CH3
  170974.1696  0.0071 -5.4309 3  162.7271392  5951614042416 8 2    241311 2      C-13-H3C(O)CH3
  170978.6175  0.0853 -6.8924 3  916.3023920  595161404573720 1    573622 1      C-13-H3C(O)CH3
  171001.0747  0.0026 -4.7445 3  218.4199244 -595161404301120 3    301021 3      C-13-H3C(O)CH3
  171001.0747  0.0026 -4.7445 3  218.4199244 -595161404301020 3    30 921 3      C-13-H3C(O)CH3
  171001.0747  0.0031 -4.7445 3  218.4199244 -595161404301020 4    30 921 4      C-13-H3C(O)CH3
  171001.0747  0.0031 -4.7445 3  218.4199244 -595161404301120 4    301021 4      C-13-H3C(O)CH3
  171026.7102  0.0981 -5.6650 3  888.3634452  595161404563719 3    563620 3      C-13-H3C(O)CH3
  171026.8427  0.0064 -5.4266 3  162.7294392  5951614042416 8 0    241311 0      C-13-H3C(O)CH3
  171049.2695  0.0595 -5.5093 3  979.5797952  595161404593822 1    593723 1      C-13-H3C(O)CH3
  171060.0424  0.0698 -5.5105 3  979.5798952  595161404593822 2    593723 2      C-13-H3C(O)CH3
  171064.6056  0.0824 -5.4636 3  950.6334936  595161404583820 0    583721 0      C-13-H3C(O)CH3
  171070.8733  0.1440 -6.7799 3  916.3030920  595161404573720 2    573622 2      C-13-H3C(O)CH3
  171089.5995  0.0025 -4.4429 3  218.4271488 -595161404301120 2    301021 2      C-13-H3C(O)CH3
  171089.5995  0.0025 -4.4429 3  218.4271488 -595161404301020 2    30 921 2      C-13-H3C(O)CH3
  171098.1380  0.0026 -4.4429 3  218.4285488 -595161404301120 1    301021 1      C-13-H3C(O)CH3
  171098.1380  0.0026 -4.4429 3  218.4285488 -595161404301020 1    30 921 1      C-13-H3C(O)CH3
  171119.8173  0.0096 -5.6025 3   71.1229264  5951614041611 5 2    1512 3 2      C-13-H3C(O)CH3
  171131.3014  0.0124 -6.3787 3   75.4035264  5951614041613 3 0    1610 6 0      C-13-H3C(O)CH3
  171161.3726  0.0079 -7.3881 3    7.8496 52  595161404 6 6 0 3     5 3 3 3      C-13-H3C(O)CH3
  171166.7024  0.0123 -6.9962 3  298.9173536  595161404331915 2    322210 2      C-13-H3C(O)CH3
  171178.1439  0.0038 -4.8056 3   25.2792 84 -59516140410 7 4 3     9 6 3 3      C-13-H3C(O)CH3
  171179.0758  0.2760 -5.6994 3 1081.7271A00  595161404624022 2    623923 2      C-13-H3C(O)CH3
  171182.9113  0.0633 -5.8256 3  979.5996476  595161404593822 4    593723 4      C-13-H3C(O)CH3
  171186.4087  0.0024 -4.4422 3  218.4357488 -595161404301120 0    301021 0      C-13-H3C(O)CH3
  171186.4087  0.0024 -4.4422 3  218.4357488 -595161404301020 0    30 921 0      C-13-H3C(O)CH3
  171193.1562  0.1182 -5.5753 3 1015.0958968  595161404603921 0    603822 0      C-13-H3C(O)CH3
  171204.1209  0.1838 -5.6993 3 1081.7277A00  595161404624022 1    623923 1      C-13-H3C(O)CH3
  171227.0477  0.0207 -5.2863 3  683.6028404  595161404502723 3    502624 3      C-13-H3C(O)CH3
  171227.7206  0.0209 -5.2863 3  683.6028404  595161404502723 4    502624 4      C-13-H3C(O)CH3
  171245.3586  0.0149 -6.6485 3   75.4427264  5951614041613 3 1    1610 6 1      C-13-H3C(O)CH3
  171246.1093  0.0202 -4.9853 3  683.6113808  595161404502723 2    502624 2      C-13-H3C(O)CH3
  171250.2178  0.0099 -5.5837 3   71.1214264  5951614041611 5 1    1512 3 1      C-13-H3C(O)CH3
  171260.3112  0.0040 -4.5161 3   25.2218168 -59516140410 7 4 1     9 6 3 1      C-13-H3C(O)CH3
  171267.6179  0.0121 -4.9853 3  683.6131808  595161404502723 1    502624 1      C-13-H3C(O)CH3
  171285.8954  0.0120 -4.9853 3  683.6216808  595161404502723 0    502624 0      C-13-H3C(O)CH3
  171291.0150  0.0160 -7.3315 3  298.8935268  595161404331915 3    322210 3      C-13-H3C(O)CH3
  171300.5208  0.0220 -5.0447 3  689.7610792  595161404493415 0    493316 0      C-13-H3C(O)CH3
  171330.2238  0.0138 -7.3133 3  298.8921268  595161404331915 4    322210 4      C-13-H3C(O)CH3
  171339.8105  0.0098 -5.8120 3   69.0421132  5951614041610 7 4    1511 4 4      C-13-H3C(O)CH3
  171341.5182  0.0108 -6.9903 3  298.9371536  595161404331915 0    322210 0      C-13-H3C(O)CH3
  171342.9252  0.0533 -5.4573 3  963.0271952  595161404593525 0    593426 0      C-13-H3C(O)CH3
  171348.7703  0.0068 -6.3771 3   63.1918248  5951614041511 5 1    15 8 8 1      C-13-H3C(O)CH3
  171349.2779  0.0853 -6.3849 3  689.7987396  595161404493416 3    493316 3      C-13-H3C(O)CH3
  171351.7149  0.0047 -4.5125 3   25.2195168 -59516140410 7 4 2     9 6 3 2      C-13-H3C(O)CH3
  171353.3979  0.0126 -7.1861 3  555.3494760  595161404471829 1    462126 1      C-13-H3C(O)CH3
  171353.4118  0.0126 -7.1861 3  555.3494760  595161404471929 1    462026 1      C-13-H3C(O)CH3
  171367.1073  0.0135 -7.1843 3  555.3479760  595161404471829 2    462126 2      C-13-H3C(O)CH3
  171367.1215  0.0135 -7.1843 3  555.3479760  595161404471929 2    462026 2      C-13-H3C(O)CH3
  171370.7122  0.0405 -5.4571 3  963.0342952  595161404593525 2    593426 2      C-13-H3C(O)CH3
  171381.3734  0.0516 -5.4571 3  963.0333952  595161404593525 1    593426 1      C-13-H3C(O)CH3
  171401.1422  0.1155 -5.7114 3  888.3757452  595161404563719 4    563620 4      C-13-H3C(O)CH3
  171406.3016  0.0947 -5.8028 3  979.6029476  595161404593822 3    593723 3      C-13-H3C(O)CH3
  171407.9474  0.0347 -5.7579 3  963.0404476  595161404593525 4    593426 4      C-13-H3C(O)CH3
  171412.0372  0.0105 -7.1851 3  555.3695760  595161404471829 0    462126 0      C-13-H3C(O)CH3
  171412.0498  0.0105 -7.1851 3  555.3695760  595161404471929 0    462026 0      C-13-H3C(O)CH3
  171413.7009  0.0347 -5.7579 3  963.0405476  595161404593525 3    593426 3      C-13-H3C(O)CH3
  171450.5636  0.0233 -5.0520 3  689.7870792  595161404493415 1    493316 1      C-13-H3C(O)CH3
  171454.7105  0.8617 -6.8555 3 1554.6279604  595161404754431 4    754332 4      C-13-H3C(O)CH3
  171455.4649  0.8636 -6.8555 3 1554.6278604  595161404754431 3    754332 3      C-13-H3C(O)CH3
  171479.9426  0.0116 -7.0159 3  298.9128536  595161404331915 1    322210 1      C-13-H3C(O)CH3
  171486.1419  0.0191 -5.0485 3  689.8016792  595161404493415 2    493316 2      C-13-H3C(O)CH3
  171506.3420  0.1051 -5.4928 3  950.6580936  595161404583820 1    583721 1      C-13-H3C(O)CH3
  171517.8828  0.0191 -5.3463 3  689.8322396  595161404493415 4    493316 4      C-13-H3C(O)CH3
  171534.9099  0.0146 -6.6538 3   75.4361264  5951614041613 3 2    1610 6 2      C-13-H3C(O)CH3
  171542.6231  0.0188 -7.3321 3  382.7140600  595161404372315 0    362610 0      C-13-H3C(O)CH3
  171553.9093  0.0043 -6.5815 3   63.2287124  5951614041511 5 3    15 8 8 3      C-13-H3C(O)CH3
  171566.7475  0.6926 -6.5541 3 1554.6222C08  595161404754431 1    754332 1      C-13-H3C(O)CH3
  171589.7543  0.0071 -6.3647 3   63.1899248  5951614041511 5 2    15 8 8 2      C-13-H3C(O)CH3
  171590.1254  0.0251 -5.3861 3  689.7987396  595161404493415 3    493316 3      C-13-H3C(O)CH3
  171590.2786  0.2329 -5.9926 3 1081.7466500  595161404624022 3    623923 3      C-13-H3C(O)CH3
  171591.9145  0.1639 -5.4991 3  950.6592936  595161404583820 2    583721 2      C-13-H3C(O)CH3
  171594.7035  0.0408 -5.3176 3  828.0687872  595161404543619 1    543520 1      C-13-H3C(O)CH3
  171597.6579  0.0058 -6.7153 3  233.5951244  595161404301317 3    291614 3      C-13-H3C(O)CH3
  171597.6673  0.0063 -6.7153 3  233.5951244  595161404301317 4    291614 4      C-13-H3C(O)CH3
  171599.6462  0.0059 -6.4136 3  233.6132488  595161404301317 1    291614 1      C-13-H3C(O)CH3
  171606.9070  0.0370 -5.2524 3  828.0510872  595161404543619 0    543520 0      C-13-H3C(O)CH3
  171610.0247  0.0217 -5.0431 3  689.7493792  595161404493416 0    493317 0      C-13-H3C(O)CH3
  171620.3351  0.0418 -5.3162 3  828.0706872  595161404543619 2    543520 2      C-13-H3C(O)CH3
  171634.6752  0.0221 -5.0512 3  689.7497792  595161404493416 1    493317 1      C-13-H3C(O)CH3
  171635.2398  0.0164 -5.2750 3  312.1398252  5951614043129 3 4    3128 4 4      C-13-H3C(O)CH3
  171635.4206  0.0195 -6.9364 3   75.4765132  5951614041613 3 4    1610 6 4      C-13-H3C(O)CH3
  171636.9735  0.0033 -4.7464 3  200.3611236 -59516140429 920 4    29 821 4      C-13-H3C(O)CH3
  171636.9735  0.0027 -4.7464 3  200.3611236 -595161404291020 3    29 921 3      C-13-H3C(O)CH3
  171636.9735  0.0033 -4.7464 3  200.3611236 -595161404291020 4    29 921 4      C-13-H3C(O)CH3
  171636.9735  0.0027 -4.7464 3  200.3611236 -59516140429 920 3    29 821 3      C-13-H3C(O)CH3
  171649.9656  0.0035 -4.4999 3   25.1603168 -59516140410 7 4 0     9 6 3 0      C-13-H3C(O)CH3
  171652.5216  0.1376 -5.5882 3 1015.1190968  595161404603921 1    603822 1      C-13-H3C(O)CH3
  171659.9998  0.0034 -4.5769 3  401.4223632  595161404391821 0    391722 0      C-13-H3C(O)CH3
  171660.5995  0.1815 -6.7143 3  770.0673420  595161404523517 4    523419 4      C-13-H3C(O)CH3
  171661.9336  0.0034 -4.5769 3  401.4223632  595161404391921 0    391822 0      C-13-H3C(O)CH3
  171662.9525  0.0059 -6.4105 3  233.6080488  595161404301317 2    291614 2      C-13-H3C(O)CH3
  171664.4256  0.0090 -5.7219 3   94.6885296  5951614041814 5 0    1715 2 0      C-13-H3C(O)CH3
  171664.6874  0.0052 -6.4099 3  233.6262488  595161404301317 0    291614 0      C-13-H3C(O)CH3
  171667.2165  0.0039 -4.5768 3  401.3936632  595161404391821 2    391722 2      C-13-H3C(O)CH3
  171669.2746  0.0039 -4.5768 3  401.3936632  595161404391921 2    391822 2      C-13-H3C(O)CH3
  171681.3979  0.0037 -4.5768 3  401.3961632  595161404391821 1    391722 1      C-13-H3C(O)CH3
  171683.3776  0.0037 -4.5768 3  401.3961632  595161404391921 1    391822 1      C-13-H3C(O)CH3
  171685.3528  0.2145 -5.5907 3 1015.1190968  595161404603921 2    603822 2      C-13-H3C(O)CH3
  171688.6872  0.0041 -4.8777 3  401.3673316  595161404391821 3    391722 3      C-13-H3C(O)CH3
  171688.6994  0.0041 -4.8777 3  401.3673316  595161404391821 4    391722 4      C-13-H3C(O)CH3
  171689.6428  0.0533 -5.5951 3  828.0807436  595161404543619 4    543520 4      C-13-H3C(O)CH3
  171690.7950  0.0041 -4.8777 3  401.3673316  595161404391921 3    391822 3      C-13-H3C(O)CH3
  171690.7994  0.0041 -4.8777 3  401.3673316  595161404391921 4    391822 4      C-13-H3C(O)CH3
  171722.8576  0.0108 -5.1075 3  477.2605324  595161404403110 3    403010 3      C-13-H3C(O)CH3
  171734.8055  0.3244 -6.0117 3 1081.7496500  595161404624022 4    623923 4      C-13-H3C(O)CH3
  171745.1906  0.2402 -6.7472 3  916.3203460  595161404573720 4    573622 4      C-13-H3C(O)CH3
  171746.7793  0.0025 -4.4446 3  200.3626472 -59516140429 920 2    29 821 2      C-13-H3C(O)CH3
  171746.7793  0.0025 -4.4446 3  200.3626472 -595161404291020 2    29 921 2      C-13-H3C(O)CH3
  171754.4079  0.0026 -4.4447 3  200.3638472 -59516140429 920 1    29 821 1      C-13-H3C(O)CH3
  171754.4079  0.0026 -4.4447 3  200.3638472 -595161404291020 1    29 921 1      C-13-H3C(O)CH3
  171758.6752  0.0115 -4.9107 3   21.9393 76 -595161404 9 8 2 3     8 7 1 3      C-13-H3C(O)CH3
  171759.2504  0.0091 -5.7214 3   94.6884296  5951614041814 4 0    1715 3 0      C-13-H3C(O)CH3
  171762.1004  0.0261 -5.0473 3  689.7534792  595161404493416 2    493317 2      C-13-H3C(O)CH3
  171776.3879  0.1272 -5.7633 3  950.6799468  595161404583820 3    583721 3      C-13-H3C(O)CH3
  171798.1455  0.0086 -5.7207 3   94.7228296  5951614041814 4 2    1715 2 2      C-13-H3C(O)CH3
  171798.8559  0.0101 -4.8064 3  477.2898648  5951614044031 9 2    403010 2      C-13-H3C(O)CH3
  171799.4030  0.0126 -5.1072 3  477.2832324  5951614044031 9 4    403010 4      C-13-H3C(O)CH3
  171809.5280  0.0144 -5.2743 3  312.1361252  5951614043129 3 3    3128 4 3      C-13-H3C(O)CH3
  171816.9385  0.0097 -4.8063 3  477.2502648  595161404403110 1    403011 1      C-13-H3C(O)CH3
  171816.9816  0.0109 -5.1072 3  477.2357324  595161404403110 4    403011 4      C-13-H3C(O)CH3
  171823.1586  0.0062 -6.9244 3    7.7092104  595161404 6 6 0 0     5 3 3 0      C-13-H3C(O)CH3
  171829.7518  0.0026 -4.5684 3   21.8749 76  595161404 9 8 2 4     8 7 2 4      C-13-H3C(O)CH3
  171832.3200  0.0275 -5.3850 3  689.7826396  595161404493416 3    493317 3      C-13-H3C(O)CH3
  171833.4388  0.0133 -4.9736 3  312.2040504  5951614043129 3 2    3128 3 2      C-13-H3C(O)CH3
  171841.9995  0.9262 -6.5531 3 1554.6356C08  595161404754431 2    754332 2      C-13-H3C(O)CH3
  171859.6906  0.0079 -5.3906 3   71.0679264  5951614041611 5 0    1512 4 0      C-13-H3C(O)CH3
  171863.8813  0.0024 -4.4439 3  200.3653472 -595161404291020 0    29 921 0      C-13-H3C(O)CH3
  171863.8813  0.0024 -4.4439 3  200.3653472 -59516140429 920 0    29 821 0      C-13-H3C(O)CH3
  171869.9046  0.0111 -5.0942 3  398.1443292  5951614043630 7 4    3629 8 4      C-13-H3C(O)CH3
  171877.1585  0.0214 -7.3286 3  343.8784568  595161404352213 0    342510 0      C-13-H3C(O)CH3
  171885.3216  0.0108 -5.0940 3  398.1553292  5951614043630 7 3    3629 8 3      C-13-H3C(O)CH3
  171893.7964  0.0103 -4.8060 3  477.2728648  5951614044031 9 1    403010 1      C-13-H3C(O)CH3
  171894.0538  0.0096 -4.8061 3  477.2651648  595161404403110 2    403011 2      C-13-H3C(O)CH3
  171894.3237  0.0095 -4.8062 3  477.2794648  5951614044031 9 0    403010 0      C-13-H3C(O)CH3
  171894.9350  0.0112 -5.1070 3  477.2584324  5951614044031 9 3    403011 3      C-13-H3C(O)CH3
  171894.9894  0.0095 -4.8062 3  477.2794648  595161404403110 0    403011 0      C-13-H3C(O)CH3
  171903.9420  0.0302 -5.3447 3  689.7491396  595161404493416 4    493317 4      C-13-H3C(O)CH3
  171909.7474  0.0144 -4.9732 3  312.1861504  5951614043129 3 1    3128 4 1      C-13-H3C(O)CH3
  171927.7643  0.0144 -5.2739 3  312.1538252  5951614043129 2 3    3128 3 3      C-13-H3C(O)CH3
  171953.6891  0.0032 -7.3257 3   67.0349132  59516140416 9 8 4    1510 6 4      C-13-H3C(O)CH3
  171954.1402  0.7177 -6.5527 3 1554.6300C08  595161404754431 0    754332 0      C-13-H3C(O)CH3
  171965.3833  0.0035 -4.8276 3   21.9393 76  595161404 9 8 1 3     8 7 1 3      C-13-H3C(O)CH3
  171979.2312  0.0052 -4.7717 3  547.3707728  595161404452322 0    452223 0      C-13-H3C(O)CH3
  171987.4984  0.0078 -4.7715 3  547.3495728  595161404452322 2    452223 2      C-13-H3C(O)CH3
  171989.2411  0.1708 -5.8733 3 1015.1399484  595161404603921 3    603822 3      C-13-H3C(O)CH3
  171996.0330  0.0092 -5.7195 3   94.7141296  5951614041814 4 1    1715 2 1      C-13-H3C(O)CH3
  171999.7681  0.0153 -4.9817 3  683.6152808  595161404502823 2    502724 2      C-13-H3C(O)CH3
  172001.3299  0.0098 -4.7929 3  398.1705584  5951614043630 7 1    3629 8 1      C-13-H3C(O)CH3
  172005.0366  0.0055 -4.7715 3  547.3521728  595161404452322 1    452223 1      C-13-H3C(O)CH3
  172005.1900  0.0106 -4.9818 3  683.6252808  595161404502823 0    502724 0      C-13-H3C(O)CH3
  172007.6394  0.0162 -5.2826 3  683.6068404  595161404502823 4    502724 4      C-13-H3C(O)CH3
  172008.2646  0.0160 -5.2826 3  683.6068404  595161404502823 3    502724 3      C-13-H3C(O)CH3
  172008.8002  0.0133 -4.9728 3  312.2002504  5951614043129 2 2    3128 4 2      C-13-H3C(O)CH3
  172013.0584  0.0116 -4.9817 3  683.6169808  595161404502823 1    502724 1      C-13-H3C(O)CH3
  172013.3013  0.0082 -5.0723 3  547.3308364  595161404452322 3    452223 3      C-13-H3C(O)CH3
  172013.4920  0.0082 -5.0723 3  547.3308364  595161404452322 4    452223 4      C-13-H3C(O)CH3
  172015.9153  0.0093 -4.7929 3  398.1888584  5951614043630 7 2    3629 8 2      C-13-H3C(O)CH3
  172031.0695  0.0098 -4.7927 3  398.1997584  5951614043630 6 2    3629 7 2      C-13-H3C(O)CH3
  172032.0906  0.0113 -5.8525 3  150.8608188  5951614042316 7 3    231310 3      C-13-H3C(O)CH3
  172032.3864  0.0489 -5.5723 3  828.0982436  595161404543619 3    543520 3      C-13-H3C(O)CH3
  172048.4086  0.0110 -5.0935 3  398.1619292  5951614043630 6 3    3629 7 3      C-13-H3C(O)CH3
  172054.7741  0.0051 -4.7713 3  547.3710728  595161404452422 0    452323 0      C-13-H3C(O)CH3
  172062.6732  0.0123 -5.0934 3  398.1728292  5951614043630 6 4    3629 7 4      C-13-H3C(O)CH3
  172067.3154  0.0075 -4.7711 3  547.3498728  595161404452422 2    452323 2      C-13-H3C(O)CH3
  172071.7508  0.0037 -4.8273 3   21.9289 76  595161404 9 8 2 3     8 7 2 3      C-13-H3C(O)CH3
  172073.1674  0.0950 -6.3811 3  689.7826396  595161404493415 3    493317 3      C-13-H3C(O)CH3
  172082.4774  0.0122 -6.0191 3   94.7485148  5951614041814 4 4    1715 2 4      C-13-H3C(O)CH3
  172083.1210  0.0056 -4.7711 3  547.3524728  595161404452422 1    452323 1      C-13-H3C(O)CH3
  172095.8218  0.0079 -5.0719 3  547.3311364  595161404452422 4    452323 4      C-13-H3C(O)CH3
  172095.8288  0.0079 -5.0719 3  547.3311364  595161404452422 3    452323 3      C-13-H3C(O)CH3
  172102.0795  0.0146 -5.2732 3  312.1500252  5951614043129 2 4    3128 3 4      C-13-H3C(O)CH3
  172103.9207  0.0064 -5.4186 3   68.9892264  5951614041610 7 1    1511 4 1      C-13-H3C(O)CH3
  172108.7531  0.1801 -5.8145 3  950.6878468  595161404583820 4    583721 4      C-13-H3C(O)CH3
  172109.8216  0.0028 -4.2679 3   21.8493152 -595161404 9 8 2 1     8 7 2 1      C-13-H3C(O)CH3
  172110.6165  0.0137 -4.9728 3  312.2503504  5951614043129 2 0    3128 3 0      C-13-H3C(O)CH3
  172110.6165  0.0137 -4.9728 3  312.2503504  5951614043129 3 0    3128 4 0      C-13-H3C(O)CH3
  172111.9372  0.0061 -5.3998 3   68.9874264  5951614041610 7 2    1511 4 2      C-13-H3C(O)CH3
  172131.8989  0.0088 -5.7190 3   94.6486296  5951614041814 5 2    1715 3 2      C-13-H3C(O)CH3
  172147.5699  0.0028 -4.2682 3   21.8545152 -595161404 9 8 2 2     8 7 2 2      C-13-H3C(O)CH3
  172149.0327  0.0097 -4.7926 3  398.2148584  5951614043630 6 0    3629 7 0      C-13-H3C(O)CH3
  172149.0402  0.0097 -4.7926 3  398.2148584  5951614043630 7 0    3629 8 0      C-13-H3C(O)CH3
  172175.8035  0.0090 -5.7193 3   94.6360296  5951614041814 5 1    1715 3 1      C-13-H3C(O)CH3
  172179.6423  0.0100 -4.7922 3  398.1879584  5951614043630 6 1    3629 7 1      C-13-H3C(O)CH3
  172199.5255  0.0205 -6.7654 3   81.2017140  5951614041712 6 4    1613 3 4      C-13-H3C(O)CH3
  172203.6635  0.0134 -4.9722 3  312.2000504  5951614043129 2 1    3128 3 1      C-13-H3C(O)CH3
  172205.0571  0.0035 -4.7549 3  182.8903228  59516140428 920 4    28 821 4      C-13-H3C(O)CH3
  172205.0571  0.0035 -4.7549 3  182.8903228  59516140428 820 4    28 721 4      C-13-H3C(O)CH3
  172205.1834  0.0029 -4.7549 3  182.8902228  59516140428 820 3    28 721 3      C-13-H3C(O)CH3
  172205.1834  0.0029 -4.7549 3  182.8902228  59516140428 920 3    28 821 3      C-13-H3C(O)CH3
  172208.2695  0.0019 -4.5650 3   21.9933 76  595161404 9 8 1 4     8 7 1 4      C-13-H3C(O)CH3
  172230.0726  0.2533 -5.9106 3 1015.1449484  595161404603921 4    603822 4      C-13-H3C(O)CH3
  172241.8706  0.0028 -4.2623 3   21.8336152 -595161404 9 8 2 0     8 7 1 0      C-13-H3C(O)CH3
  172254.6294  0.0103 -6.0323 3   94.6702148  5951614041814 5 3    1715 3 3      C-13-H3C(O)CH3
  172261.2613  0.0068 -7.2427 3    7.7793104  595161404 6 6 0 1     5 3 3 1      C-13-H3C(O)CH3
  172270.4852  0.0071 -7.2389 3    7.7789104  595161404 6 6 0 2     5 3 3 2      C-13-H3C(O)CH3
  172274.4668  0.0014 -4.6041 3   40.1302108 -59516140413 5 8 3    12 6 7 3      C-13-H3C(O)CH3
  172277.2247  0.0015 -4.6041 3   40.1301108 -59516140413 5 8 4    12 6 7 4      C-13-H3C(O)CH3
  172278.5086  0.0113 -4.9090 3   21.9289 76  595161404 9 8 1 3     8 7 2 3      C-13-H3C(O)CH3
  172292.5804  0.0025 -4.2662 3   21.9117152 -595161404 9 8 1 1     8 7 1 1      C-13-H3C(O)CH3
  172297.6200  0.0095 -7.1477 3  407.0943324  595161404401624 4    391921 4      C-13-H3C(O)CH3
  172297.6705  0.0094 -7.1477 3  407.0943324  595161404401624 3    391921 3      C-13-H3C(O)CH3
  172299.8933  0.0095 -7.1477 3  407.0942324  595161404401724 4    391821 4      C-13-H3C(O)CH3
  172299.9527  0.0094 -7.1477 3  407.0942324  595161404401724 3    391821 3      C-13-H3C(O)CH3
  172311.2408  0.0094 -6.8470 3  407.1229648  595161404401624 1    391921 1      C-13-H3C(O)CH3
  172313.3812  0.0094 -6.8470 3  407.1228648  595161404401724 1    391821 1      C-13-H3C(O)CH3
  172318.6407  0.0027 -4.2666 3   21.9112152 -595161404 9 8 1 2     8 7 1 2      C-13-H3C(O)CH3
  172322.5486  0.0112 -6.1759 3   71.1073132  5951614041611 5 3    1512 3 3      C-13-H3C(O)CH3
  172337.5749  0.0026 -4.4530 3  182.8853456 -59516140428 920 2    28 821 2      C-13-H3C(O)CH3
  172337.5749  0.0026 -4.4530 3  182.8853456 -59516140428 820 2    28 721 2      C-13-H3C(O)CH3
  172342.7387  0.0096 -6.8446 3  407.1198648  595161404401624 2    391921 2      C-13-H3C(O)CH3
  172344.3177  0.0027 -4.4530 3  182.8863456 -59516140428 820 1    28 721 1      C-13-H3C(O)CH3
  172344.3177  0.0027 -4.4530 3  182.8863456 -59516140428 920 1    28 821 1      C-13-H3C(O)CH3
  172344.9649  0.0096 -6.8446 3  407.1198648  595161404401724 2    391821 2      C-13-H3C(O)CH3
  172348.0699  0.0016 -4.3034 3   40.0786216 -59516140413 5 8 2    12 6 7 2      C-13-H3C(O)CH3
  172349.6424  0.0016 -4.3030 3   40.0799216 -59516140413 5 8 1    12 6 7 1      C-13-H3C(O)CH3
  172353.4719  0.0044 -6.2714 3   63.1531248  5951614041511 5 0    15 8 8 0      C-13-H3C(O)CH3
  172356.1691  0.0082 -6.8449 3  407.1484648  595161404401624 0    391921 0      C-13-H3C(O)CH3
  172358.2579  0.0082 -6.8449 3  407.1483648  595161404401724 0    391821 0      C-13-H3C(O)CH3
  172421.7199  0.0016 -4.3033 3   40.0285216 -59516140413 5 8 0    12 6 7 0      C-13-H3C(O)CH3
  172426.3064  0.0098 -6.0307 3   94.6742148  5951614041814 4 3    1715 2 3      C-13-H3C(O)CH3
  172476.4359  0.0025 -4.4521 3  182.8814456 -59516140428 820 0    28 721 0      C-13-H3C(O)CH3
  172476.4359  0.0025 -4.4521 3  182.8814456 -59516140428 920 0    28 821 0      C-13-H3C(O)CH3
  172491.0909  0.0039 -5.2894 3   68.9464264  5951614041610 7 0    1511 4 0      C-13-H3C(O)CH3
  172499.2162  0.0870 -6.8883 3  828.0982436  595161404543618 3    543520 3      C-13-H3C(O)CH3
  172533.9765  0.0111 -5.6070 3  150.8588376  5951614042316 7 1    231310 1      C-13-H3C(O)CH3
  172568.2122  0.0708 -6.7748 3  689.7497792  595161404493415 1    493317 1      C-13-H3C(O)CH3
  172587.8354  0.0027 -4.2611 3   21.8251152 -595161404 9 8 1 0     8 7 2 0      C-13-H3C(O)CH3
  172591.3462  0.0127 -5.8568 3   71.0983132  5951614041611 5 3    1512 4 3      C-13-H3C(O)CH3
  172593.7520  0.0104 -6.0173 3   94.5961148  5951614041814 5 4    1715 3 4      C-13-H3C(O)CH3
  172646.8602  0.0970 -6.1056 3  828.0687872  595161404543618 1    543520 1      C-13-H3C(O)CH3
  172678.1852  0.0075 -5.5960 3  134.9809360  5951614042214 8 2    221111 2      C-13-H3C(O)CH3
  172686.9334  0.0054 -5.5930 3  134.9748360  5951614042214 8 0    221111 0      C-13-H3C(O)CH3
  172711.3271  0.0039 -4.7713 3  166.0091220  59516140427 720 4    27 621 4      C-13-H3C(O)CH3
  172711.3271  0.0039 -4.7713 3  166.0091220  59516140427 820 4    27 721 4      C-13-H3C(O)CH3
  172711.4238  0.0032 -4.7713 3  166.0090220  59516140427 820 3    27 721 3      C-13-H3C(O)CH3
  172711.4238  0.0032 -4.7713 3  166.0090220  59516140427 720 3    27 621 3      C-13-H3C(O)CH3
  172724.8257  0.0147 -4.9403 3  614.2127744  595161404463313 0    463214 0      C-13-H3C(O)CH3
  172726.6573  0.0038 -5.5960 3   68.9980132  5951614041610 7 3    1511 4 3      C-13-H3C(O)CH3
  172727.2195  0.0062 -6.4073 3  233.5757488  595161404301417 1    291514 1      C-13-H3C(O)CH3
  172729.8209  0.0128 -5.2412 3  614.2706372  595161404463313 4    463214 4      C-13-H3C(O)CH3
  172732.2726  0.0129 -4.9403 3  614.2500744  595161404463313 2    463214 2      C-13-H3C(O)CH3
  172732.3796  0.0068 -6.7088 3  233.5573244  595161404301417 4    291514 4      C-13-H3C(O)CH3
  172734.4834  0.0115 -5.1614 3  543.4061348  595161404433211 3    433112 3      C-13-H3C(O)CH3
  172734.5066  0.0075 -6.5865 3  190.1371220  595161404271315 4    261412 4      C-13-H3C(O)CH3
  172734.9919  0.0064 -6.7088 3  233.5572244  595161404301417 3    291514 3      C-13-H3C(O)CH3
  172739.5830  0.0125 -5.1613 3  543.4334348  595161404433211 4    433112 4      C-13-H3C(O)CH3
  172743.7715  0.0068 -6.5865 3  190.1367220  595161404271315 3    261412 3      C-13-H3C(O)CH3
  172745.1333  0.0147 -4.9404 3  614.2325744  595161404463313 1    463214 1      C-13-H3C(O)CH3
  172746.9144  0.0109 -4.8604 3  543.4256696  595161404433211 2    433112 2      C-13-H3C(O)CH3
  172747.7427  0.0147 -5.9631 3  150.8616188  5951614042316 7 4    231310 4      C-13-H3C(O)CH3
  172754.6720  0.0062 -6.2845 3  190.1465440  595161404271315 1    261412 1      C-13-H3C(O)CH3
  172760.7852  0.0187 -5.4117 3  297.5714244  5951614043029 2 4    3028 3 4      C-13-H3C(O)CH3
  172766.8283  0.0102 -5.9024 3  134.9917180  5951614042214 8 3    221111 3      C-13-H3C(O)CH3
  172774.5474  0.0147 -4.9400 3  614.2109744  595161404463314 0    463215 0      C-13-H3C(O)CH3
  172793.2650  0.0127 -5.2432 3  614.2392372  595161404463313 3    463214 3      C-13-H3C(O)CH3
  172794.6168  0.0072 -5.5991 3  134.9856360  5951614042214 8 1    221111 1      C-13-H3C(O)CH3
  172797.0145  0.0014 -4.6008 3   40.1161108 -59516140413 6 8 4    12 5 7 4      C-13-H3C(O)CH3
  172797.7251  0.0114 -4.8602 3  543.3802696  595161404433212 1    433113 1      C-13-H3C(O)CH3
  172798.5159  0.0106 -5.5875 3  150.8478376  5951614042316 7 2    231310 2      C-13-H3C(O)CH3
  172800.4406  0.0015 -4.6008 3   40.1159108 -59516140413 6 8 3    12 5 7 3      C-13-H3C(O)CH3
  172802.6627  0.0111 -4.8602 3  543.4074696  595161404433211 1    433112 1      C-13-H3C(O)CH3
  172808.1297  0.0106 -4.8603 3  543.3997696  595161404433211 0    433112 0      C-13-H3C(O)CH3
  172809.3333  0.0077 -5.9038 3  134.9919180  5951614042214 8 4    221111 4      C-13-H3C(O)CH3
  172812.6824  0.0155 -4.9401 3  614.2010744  595161404463314 1    463215 1      C-13-H3C(O)CH3
  172813.7378  0.0053 -6.4035 3  233.5879488  595161404301417 0    291514 0      C-13-H3C(O)CH3
  172814.6042  0.0106 -4.8602 3  543.3994696  595161404433212 0    433113 0      C-13-H3C(O)CH3
  172821.2709  0.0061 -6.4039 3  233.5695488  595161404301417 2    291514 2      C-13-H3C(O)CH3
  172838.7106  0.0093 -5.5461 3  150.8455376  5951614042316 7 0    231310 0      C-13-H3C(O)CH3
  172867.8595  0.0029 -4.4692 3  165.9968440 -59516140427 720 2    27 621 2      C-13-H3C(O)CH3
  172867.8595  0.0029 -4.4692 3  165.9968440 -59516140427 820 2    27 721 2      C-13-H3C(O)CH3
  172873.6578  0.0030 -4.4693 3  165.9977440 -59516140427 820 1    27 721 1      C-13-H3C(O)CH3
  172873.6578  0.0030 -4.4693 3  165.9977440 -59516140427 720 1    27 621 1      C-13-H3C(O)CH3
  172881.4817  0.0016 -4.2996 3   40.0655216 -59516140413 6 8 1    12 5 7 1      C-13-H3C(O)CH3
  172890.3595  0.0016 -4.2999 3   40.0640216 -59516140413 6 8 2    12 5 7 2      C-13-H3C(O)CH3
  172890.9142  0.0129 -5.1608 3  543.3723348  595161404433212 4    433113 4      C-13-H3C(O)CH3
  172893.2548  0.1517 -6.1135 3  828.0706872  595161404543618 2    543520 2      C-13-H3C(O)CH3
  172894.5464  0.9904 -6.5852 3 1569.5112C08  595161404754728 0    754629 0      C-13-H3C(O)CH3
  172897.3224  0.0122 -5.1608 3  543.3997348  595161404433212 3    433113 3      C-13-H3C(O)CH3
  172904.6400  0.0112 -4.8599 3  543.3919696  595161404433212 2    433113 2      C-13-H3C(O)CH3
  172907.7513  0.0061 -6.2807 3  190.1382440  595161404271315 2    261412 2      C-13-H3C(O)CH3
  172921.2680  0.0053 -6.2798 3  190.1480440  595161404271315 0    261412 0      C-13-H3C(O)CH3
  172921.4868  0.0923 -6.7326 3  744.6581824  595161404513517 2    513417 2      C-13-H3C(O)CH3
  172933.5166  0.0939 -7.0149 3  689.7534792  595161404493415 2    493317 2      C-13-H3C(O)CH3
  172938.7902  0.0159 -5.2427 3  614.2293372  595161404463314 3    463215 3      C-13-H3C(O)CH3
  172940.0506  0.0154 -4.9396 3  614.2087744  595161404463314 2    463215 2      C-13-H3C(O)CH3
  172960.5492  0.0154 -5.1102 3  297.6407488  5951614043029 2 2    3028 2 2      C-13-H3C(O)CH3
  172972.9188  0.0016 -4.2997 3   40.0136216 -59516140413 6 8 0    12 5 7 0      C-13-H3C(O)CH3
  172978.3393  0.0164 -5.4108 3  297.5665244  5951614043029 2 3    3028 3 3      C-13-H3C(O)CH3
  173001.2025  0.0178 -5.2401 3  614.1979372  595161404463314 4    463215 4      C-13-H3C(O)CH3
  173009.7110  0.0029 -6.3832 3    7.6438 60  595161404 7 2 5 3     6 1 6 3      C-13-H3C(O)CH3
  173010.9536  0.0036 -6.3832 3    7.6438 60  595161404 7 2 5 4     6 1 6 4      C-13-H3C(O)CH3
  173029.7657  0.0027 -4.4682 3  165.9854440 -59516140427 720 0    27 621 0      C-13-H3C(O)CH3
  173029.7657  0.0027 -4.4682 3  165.9854440 -59516140427 820 0    27 721 0      C-13-H3C(O)CH3
  173056.8995  0.0031 -4.5458 3  378.1156616  595161404381721 0    381622 0      C-13-H3C(O)CH3
  173057.5351  0.0031 -4.5458 3  378.1156616  595161404381821 0    381722 0      C-13-H3C(O)CH3
  173058.1964  0.0036 -4.5457 3  378.0868616  595161404381721 2    381622 2      C-13-H3C(O)CH3
  173058.8750  0.0036 -4.5457 3  378.0868616  595161404381821 2    381722 2      C-13-H3C(O)CH3
  173061.4289  1.2459 -6.5846 3 1569.5168C08  595161404754728 2    754629 2      C-13-H3C(O)CH3
  173063.3162  0.0169 -5.1098 3  297.6239488  5951614043029 2 1    3028 3 1      C-13-H3C(O)CH3
  173071.3598  0.0035 -4.5457 3  378.0892616  595161404381721 1    381622 1      C-13-H3C(O)CH3
  173072.0099  0.0035 -4.5457 3  378.0892616  595161404381821 1    381722 1      C-13-H3C(O)CH3
  173072.6936  0.0038 -4.8466 3  378.0603308  595161404381721 4    381622 4      C-13-H3C(O)CH3
  173072.7131  0.0038 -4.8466 3  378.0604308  595161404381721 3    381622 3      C-13-H3C(O)CH3
  173073.3850  0.0038 -4.8466 3  378.0603308  595161404381821 4    381722 4      C-13-H3C(O)CH3
  173073.4075  0.0038 -4.8466 3  378.0604308  595161404381821 3    381722 3      C-13-H3C(O)CH3
  173077.9733  0.0164 -5.4105 3  297.5868244  5951614043029 1 3    3028 2 3      C-13-H3C(O)CH3
  173101.5862  0.0756 -6.5304 3  744.6456824  595161404513517 1    513417 1      C-13-H3C(O)CH3
  173150.9515  0.0116 -5.8020 3   71.0551264  5951614041611 5 2    1512 4 2      C-13-H3C(O)CH3
  173161.1350  0.0044 -4.7978 3  149.7189212  59516140426 720 4    26 621 4      C-13-H3C(O)CH3
  173161.1350  0.0044 -4.7977 3  149.7189212  59516140426 620 4    26 521 4      C-13-H3C(O)CH3
  173161.1881  0.0036 -4.8010 3  149.7188212  59516140426 620 3    26 521 3      C-13-H3C(O)CH3
  173161.1881  0.0036 -4.8079 3  149.7188212  59516140426 720 3    26 621 3      C-13-H3C(O)CH3
  173161.1881  0.0036 -6.9158 3  149.7188212  59516140426 720 3    26 521 3      C-13-H3C(O)CH3
  173161.1881  0.0036 -6.4314 3  149.7188212  59516140426 620 3    26 621 3      C-13-H3C(O)CH3
  173165.5697  0.0035 -6.3828 3    7.6438 60  595161404 7 3 5 4     6 0 6 4      C-13-H3C(O)CH3
  173166.6086  0.0029 -6.3828 3    7.6438 60  595161404 7 3 5 3     6 0 6 3      C-13-H3C(O)CH3
  173179.5509  0.0153 -5.1093 3  297.6357488  5951614043029 1 2    3028 3 2      C-13-H3C(O)CH3
  173197.4987  0.0039 -6.0805 3    7.5691120  595161404 7 2 5 2     6 1 6 2      C-13-H3C(O)CH3
  173203.1928  0.0038 -6.0808 3    7.5696120  595161404 7 2 5 1     6 1 6 1      C-13-H3C(O)CH3
  173210.8693  0.0878 -5.6080 3 1044.9539984  595161404613923 0    613824 0      C-13-H3C(O)CH3
  173218.9882  0.1242 -5.7641 3 1138.3657A32  595161404643926 0    643827 0      C-13-H3C(O)CH3
  173251.4192  0.0015 -4.4724 3   43.5354116 -59516140414 410 4    13 5 9 4      C-13-H3C(O)CH3
  173251.4192  0.0015 -4.4725 3   43.5354116 -59516140414 410 3    13 5 9 3      C-13-H3C(O)CH3
  173257.0985  0.0015 -4.4724 3   43.5353116 -59516140414 510 4    13 4 9 4      C-13-H3C(O)CH3
  173257.0985  0.0015 -4.4724 3   43.5353116 -59516140414 510 3    13 4 9 3      C-13-H3C(O)CH3
  173265.8873  0.0158 -5.1094 3  297.6932488  5951614043029 1 0    3028 2 0      C-13-H3C(O)CH3
  173265.8873  0.0158 -5.1094 3  297.6932488  5951614043029 2 0    3028 3 0      C-13-H3C(O)CH3
  173296.0429  0.0164 -5.4096 3  297.5819244  5951614043029 1 4    3028 2 4      C-13-H3C(O)CH3
  173313.7527  0.0016 -4.1712 3   43.4843232 -59516140414 410 1    13 5 9 1      C-13-H3C(O)CH3
  173314.8378  0.0016 -4.1714 3   43.4834232 -59516140414 410 2    13 5 9 2      C-13-H3C(O)CH3
  173319.5230  0.0016 -4.1712 3   43.4842232 -59516140414 510 1    13 4 9 1      C-13-H3C(O)CH3
  173320.7782  0.0016 -4.1713 3   43.4833232 -59516140414 510 2    13 4 9 2      C-13-H3C(O)CH3
  173342.3032  0.1070 -5.7636 3 1138.3784A32  595161404643926 2    643827 2      C-13-H3C(O)CH3
  173342.8518  0.0034 -4.4955 3  149.6985424 -59516140426 720 2    26 621 2      C-13-H3C(O)CH3
  173342.8518  0.0034 -4.4955 3  149.6985424 -59516140426 620 2    26 521 2      C-13-H3C(O)CH3
  173347.7193  0.0035 -7.4539 3  149.6993424  59516140426 720 1    26 521 1      C-13-H3C(O)CH3
  173347.7294  0.0035 -4.4960 3  149.6993424 -59516140426 620 1    26 521 1      C-13-H3C(O)CH3
  173347.7294  0.0035 -4.4956 3  149.6993424 -59516140426 720 1    26 621 1      C-13-H3C(O)CH3
  173350.0052  0.0045 -5.0776 3   19.4969 76  595161404 9 6 3 3     8 5 4 3      C-13-H3C(O)CH3
  173354.8863  0.1347 -5.7786 3 1144.1437A32  595161404644025 0    643926 0      C-13-H3C(O)CH3
  173358.1686  0.0038 -6.0801 3    7.5690120  595161404 7 3 5 2     6 0 6 2      C-13-H3C(O)CH3
  173361.5685  0.0038 -6.0804 3    7.5696120  595161404 7 3 5 1     6 0 6 1      C-13-H3C(O)CH3
  173377.0012  0.0016 -4.1711 3   43.4325232 -59516140414 410 0    13 5 9 0      C-13-H3C(O)CH3
  173382.3653  0.0156 -5.1087 3  297.6393488  5951614043029 1 1    3028 2 1      C-13-H3C(O)CH3
  173383.0825  0.0016 -4.1711 3   43.4323232 -59516140414 510 0    13 4 9 0      C-13-H3C(O)CH3
  173385.0257  0.0264 -5.4719 3  801.5556436  595161404543124 4    543025 4      C-13-H3C(O)CH3
  173386.7892  0.0260 -5.4719 3  801.5557436  595161404543124 3    543025 3      C-13-H3C(O)CH3
  173390.0030  0.0253 -5.1709 3  801.5563872  595161404543124 2    543025 2      C-13-H3C(O)CH3
  173390.0548  0.0041 -6.0791 3    7.4950120  595161404 7 2 5 0     6 1 6 0      C-13-H3C(O)CH3
  173394.5311  0.1116 -5.7634 3 1138.3766A32  595161404643926 1    643827 1      C-13-H3C(O)CH3
  173398.4776  0.0227 -5.1709 3  801.5569872  595161404543124 1    543025 1      C-13-H3C(O)CH3
  173403.2781  0.0215 -5.1710 3  801.5575872  595161404543124 0    543025 0      C-13-H3C(O)CH3
  173428.5616  0.0041 -4.7752 3   19.4346152  595161404 9 6 3 2     8 5 4 2      C-13-H3C(O)CH3
  173455.6937  0.0190 -6.7776 3   94.5674148  5951614041814 5 4    1811 7 4      C-13-H3C(O)CH3
  173464.3355  0.0974 -5.6098 3 1044.9754984  595161404613923 2    613824 2      C-13-H3C(O)CH3
  173471.0552  0.0764 -5.6098 3 1044.9758984  595161404613923 1    613824 1      C-13-H3C(O)CH3
  173477.9039  0.0033 -4.7701 3   19.3737152 -595161404 9 6 3 0     8 5 4 0      C-13-H3C(O)CH3
  173482.5944  0.0038 -4.7772 3   19.4350152  595161404 9 6 3 1     8 5 4 1      C-13-H3C(O)CH3
  173513.5070  0.0653 -6.0640 3 1138.3894516  595161404643926 4    643827 4      C-13-H3C(O)CH3
  173516.6332  0.0044 -5.0888 3   19.4953 76  595161404 9 6 3 4     8 5 4 4      C-13-H3C(O)CH3
  173524.7936  0.0778 -6.0639 3 1138.3895516  595161404643926 3    643827 3      C-13-H3C(O)CH3
  173525.9384  0.0113 -5.8306 3   71.0455264  5951614041611 5 1    1512 4 1      C-13-H3C(O)CH3
  173528.9987  0.0032 -7.2401 3  149.6790424  59516140426 620 0    26 621 0      C-13-H3C(O)CH3
  173529.0063  0.0032 -4.4943 3  149.6790424 -59516140426 620 0    26 521 0      C-13-H3C(O)CH3
  173529.0063  0.0032 -4.4950 3  149.6790424 -59516140426 720 0    26 621 0      C-13-H3C(O)CH3
  173533.3510  0.9444 -6.5826 3 1569.5107C08  595161404754728 1    754629 1      C-13-H3C(O)CH3
  173553.3406  0.0041 -6.0787 3    7.4950120  595161404 7 3 5 0     6 0 6 0      C-13-H3C(O)CH3
  173556.3939  0.0771 -5.6333 3  894.3272460  595161404573225 3    573126 3      C-13-H3C(O)CH3
  173557.8492  0.0770 -5.6333 3  894.3272460  595161404573225 4    573126 4      C-13-H3C(O)CH3
  173559.3956  0.0041 -4.8382 3  134.0211204  59516140425 620 3    25 421 3      C-13-H3C(O)CH3
  173559.3956  0.0041 -4.8382 3  134.0211204  59516140425 520 3    25 521 3      C-13-H3C(O)CH3
  173559.4017  0.0049 -7.2359 3  134.0212204  59516140425 620 4    25 421 4      C-13-H3C(O)CH3
  173559.4017  0.0049 -4.8391 3  134.0212204  59516140425 620 4    25 521 4      C-13-H3C(O)CH3
  173559.4017  0.0049 -4.8391 3  134.0212204  59516140425 520 4    25 421 4      C-13-H3C(O)CH3
  173559.4017  0.0049 -7.2282 3  134.0212204  59516140425 520 4    25 521 4      C-13-H3C(O)CH3
  173576.2550  0.1504 -5.7780 3 1144.1605A32  595161404644025 2    643926 2      C-13-H3C(O)CH3
  173591.4008  0.0122 -5.1152 3  381.0575284  5951614043530 6 4    3529 7 4      C-13-H3C(O)CH3
  173634.1686  0.1181 -5.7778 3 1144.1605A32  595161404644025 1    643926 1      C-13-H3C(O)CH3
  173637.6573  0.0135 -6.1312 3   81.1549280  5951614041712 6 1    1613 3 1      C-13-H3C(O)CH3
  173649.1281  0.0115 -5.1148 3  381.0654284  5951614043530 6 3    3529 7 3      C-13-H3C(O)CH3
  173659.5028  0.0740 -5.9174 3 1044.9964492  595161404613923 4    613824 4      C-13-H3C(O)CH3
  173686.3370  0.0126 -6.0657 3   81.1579280  5951614041712 6 2    1613 3 2      C-13-H3C(O)CH3
  173695.2616  1.1248 -6.8830 3 1569.5163604  595161404754728 4    754629 4      C-13-H3C(O)CH3
  173702.0166  1.1091 -6.8832 3 1569.5164604  595161404754728 3    754629 3      C-13-H3C(O)CH3
  173706.8116  0.0796 -5.3317 3  894.3244920  595161404573225 2    573126 2      C-13-H3C(O)CH3
  173711.5808  0.0515 -5.3317 3  894.3240920  595161404573225 1    573126 1      C-13-H3C(O)CH3
  173748.8597  0.0099 -4.8138 3  381.1072568  5951614043530 6 2    3529 7 2      C-13-H3C(O)CH3
  173762.6502  0.0106 -4.8137 3  381.0883568  5951614043530 6 1    3529 7 1      C-13-H3C(O)CH3
  173765.8509  0.0214 -5.6745 3  283.5065236  5951614042929 1 4    2928 2 4      C-13-H3C(O)CH3
  173767.3564  0.0041 -4.5462 3  133.9920408  59516140425 620 2    25 521 2      C-13-H3C(O)CH3
  173767.3564  0.0041 -6.1171 3  133.9920408  59516140425 520 2    25 521 2      C-13-H3C(O)CH3
  173767.3564  0.0041 -4.5463 3  133.9920408  59516140425 520 2    25 421 2      C-13-H3C(O)CH3
  173767.3564  0.0041 -6.1229 3  133.9920408  59516140425 620 2    25 421 2      C-13-H3C(O)CH3
  173771.2732  0.0043 -4.5467 3  133.9926408 -59516140425 620 1    25 521 1      C-13-H3C(O)CH3
  173771.2732  0.0043 -4.5966 3  133.9926408 -59516140425 520 1    25 421 1      C-13-H3C(O)CH3
  173771.2943  0.0043 -6.1143 3  133.9926408  59516140425 520 1    25 521 1      C-13-H3C(O)CH3
  173771.2943  0.0043 -5.4111 3  133.9926408  59516140425 620 1    25 421 1      C-13-H3C(O)CH3
  173785.0783  0.1013 -5.6937 3 1101.0033A16  595161404633826 0    633727 0      C-13-H3C(O)CH3
  173791.8685  0.1195 -5.9070 3 1044.9984492  595161404613923 3    613824 3      C-13-H3C(O)CH3
  173801.2384  0.0116 -5.1144 3  381.0755284  5951614043530 5 3    3529 6 3      C-13-H3C(O)CH3
  173802.0935  0.0057 -6.9479 3   63.1918248  5951614041511 4 1    15 8 8 1      C-13-H3C(O)CH3
  173806.7535  0.0103 -4.8135 3  381.1149568  5951614043530 5 2    3529 6 2      C-13-H3C(O)CH3
  173806.9565  0.0057 -6.9977 3   63.1899248  5951614041511 4 2    15 8 8 2      C-13-H3C(O)CH3
  173810.4462  0.0284 -5.1192 3  744.6162824  595161404513516 0    513417 0      C-13-H3C(O)CH3
  173839.0124  0.1084 -6.0786 3 1144.1772516  595161404644025 4    643926 4      C-13-H3C(O)CH3
  173846.5782  0.0464 -5.3431 3  888.1799904  595161404563720 0    563621 0      C-13-H3C(O)CH3
  173858.0768  0.0125 -5.1141 3  381.0833284  5951614043530 5 4    3529 6 4      C-13-H3C(O)CH3
  173859.0496  0.0536 -5.3312 3  894.3212920  595161404573225 0    573126 0      C-13-H3C(O)CH3
  173865.7848  0.0772 -5.6934 3 1101.0148A16  595161404633826 2    633727 2      C-13-H3C(O)CH3
  173871.7823  0.1417 -6.0778 3 1144.1777516  595161404644025 3    643926 3      C-13-H3C(O)CH3
  173899.2844  0.0514 -5.3949 3  888.2017904  595161404563720 1    563621 1      C-13-H3C(O)CH3
  173899.3116  0.2254 -6.5850 3  828.0807436  595161404543618 4    543520 4      C-13-H3C(O)CH3
  173901.3401  0.0930 -5.6933 3 1101.0129A16  595161404633826 1    633727 1      C-13-H3C(O)CH3
  173910.5630  0.0047 -4.8977 3  118.9172196  59516140424 420 3    24 321 3      C-13-H3C(O)CH3
  173910.5630  0.0047 -7.2234 3  118.9172196  59516140424 520 3    24 321 3      C-13-H3C(O)CH3
  173910.5630  0.0047 -4.8964 3  118.9172196  59516140424 520 3    24 421 3      C-13-H3C(O)CH3
  173910.6449  0.0055 -7.3317 3  118.9173196  59516140424 420 4    24 421 4      C-13-H3C(O)CH3
  173910.6449  0.0055 -4.8972 3  118.9173196  59516140424 420 4    24 321 4      C-13-H3C(O)CH3
  173910.6449  0.0055 -4.8961 3  118.9173196  59516140424 520 4    24 421 4      C-13-H3C(O)CH3
  173911.1525  0.0501 -5.4014 3  888.2031904  595161404563720 2    563621 2      C-13-H3C(O)CH3
  173922.1404  0.0103 -4.8134 3  381.1378568  5951614043530 5 0    3529 6 0      C-13-H3C(O)CH3
  173922.1414  0.0103 -4.8134 3  381.1378568  5951614043530 6 0    3529 7 0      C-13-H3C(O)CH3
  173928.1227  0.0885 -6.2834 3  744.6620412  595161404513517 3    513417 3      C-13-H3C(O)CH3
  173948.8837  0.0577 -5.6992 3  888.2193452  595161404563720 4    563621 4      C-13-H3C(O)CH3
  173964.8462  0.0178 -5.3730 3  283.5807472  5951614042929 1 2    2928 1 2      C-13-H3C(O)CH3
  173972.7730  0.0104 -4.8129 3  381.1061568  5951614043530 5 1    3529 6 1      C-13-H3C(O)CH3
  173978.8082  0.0039 -5.9214 3  133.9635408  59516140425 520 0    25 521 0      C-13-H3C(O)CH3
  173978.8082  0.0039 -5.9201 3  133.9635408  59516140425 620 0    25 421 0      C-13-H3C(O)CH3
  173978.8161  0.0039 -4.5517 3  133.9635408 -59516140425 520 0    25 421 0      C-13-H3C(O)CH3
  173978.8161  0.0039 -4.5517 3  133.9635408 -59516140425 620 0    25 521 0      C-13-H3C(O)CH3
  173979.5728  0.0470 -5.9940 3 1101.0245508  595161404633826 4    633727 4      C-13-H3C(O)CH3
  173987.8045  0.0532 -5.9939 3 1101.0245508  595161404633826 3    633727 3      C-13-H3C(O)CH3
  174019.1534  0.0114 -6.2517 3   21.8545152  595161404 9 8 1 2     8 7 2 2      C-13-H3C(O)CH3
  174021.5098  0.0315 -5.1355 3  744.6456824  595161404513516 1    513417 1      C-13-H3C(O)CH3
  174026.2437  0.0188 -5.6735 3  283.5010236  5951614042929 1 3    2928 2 3      C-13-H3C(O)CH3
  174029.0584  0.0185 -7.1123 3  202.2497440  595161404271611 2    2619 7 2      C-13-H3C(O)CH3
  174048.9111  0.0028 -7.2363 3   24.5550 84  59516140410 6 4 4     9 5 4 4      C-13-H3C(O)CH3
  174075.3585  0.0260 -5.1288 3  744.6581824  595161404513516 2    513417 2      C-13-H3C(O)CH3
  174093.0428  0.0198 -5.3726 3  283.5656472  5951614042929 1 1    2928 2 1      C-13-H3C(O)CH3
  174095.7657  0.0109 -5.1009 3  458.1192316  5951614043931 9 3    393010 3      C-13-H3C(O)CH3
  174105.7207  0.0188 -5.6733 3  283.5237236  5951614042929 0 3    2928 1 3      C-13-H3C(O)CH3
  174127.9149  0.0268 -5.4225 3  744.6939412  595161404513516 4    513417 4      C-13-H3C(O)CH3
  174128.5387  0.0046 -4.7253 3  520.6253712  595161404442222 0    442123 0      C-13-H3C(O)CH3
  174142.8828  0.0065 -4.7251 3  520.6020712  595161404442222 2    442123 2      C-13-H3C(O)CH3
  174145.7495  0.0052 -4.6003 3  118.8785392  59516140424 520 2    24 321 2      C-13-H3C(O)CH3
  174145.7495  0.0052 -7.1805 3  118.8785392  59516140424 520 2    24 421 2      C-13-H3C(O)CH3
  174145.7495  0.0052 -4.5931 3  118.8785392  59516140424 420 2    24 421 2      C-13-H3C(O)CH3
  174145.7495  0.0052 -6.5726 3  118.8785392  59516140424 420 2    24 321 2      C-13-H3C(O)CH3
  174148.6745  0.0053 -4.6021 3  118.8791392 -59516140424 520 1    24 421 1      C-13-H3C(O)CH3
  174148.6745  0.0053 -4.6021 3  118.8791392 -59516140424 420 1    24 321 1      C-13-H3C(O)CH3
  174148.7446  0.0053 -6.2831 3  118.8791392  59516140424 520 1    24 321 1      C-13-H3C(O)CH3
  174148.7446  0.0053 -6.2831 3  118.8791392  59516140424 420 1    24 421 1      C-13-H3C(O)CH3
  174154.0373  0.0108 -5.1008 3  458.0985316  5951614043931 9 4    393010 4      C-13-H3C(O)CH3
  174158.0967  0.0046 -4.7252 3  520.6254712  595161404442322 0    442223 0      C-13-H3C(O)CH3
  174158.5546  0.0050 -4.7251 3  520.6045712  595161404442222 1    442123 1      C-13-H3C(O)CH3
  174162.8894  0.0087 -7.3811 3  142.7954188  595161404231211 4    2215 7 4      C-13-H3C(O)CH3
  174163.0850  0.0098 -6.3253 3   21.8493152  595161404 9 8 1 1     8 7 2 1      C-13-H3C(O)CH3
  174172.0424  0.0418 -5.4827 3  744.6620412  595161404513516 3    513417 3      C-13-H3C(O)CH3
  174172.9536  0.0069 -5.0259 3  520.5813356  595161404442222 3    442123 3      C-13-H3C(O)CH3
  174173.0800  0.0069 -5.0259 3  520.5812356  595161404442222 4    442123 4      C-13-H3C(O)CH3
  174174.2361  0.0064 -4.7250 3  520.6022712  595161404442322 2    442223 2      C-13-H3C(O)CH3
  174189.1292  0.0050 -4.7249 3  520.6047712  595161404442322 1    442223 1      C-13-H3C(O)CH3
  174193.6864  0.0102 -4.7997 3  458.1530632  5951614043931 8 2    3930 9 2      C-13-H3C(O)CH3
  174201.8327  0.0097 -4.7997 3  458.1157632  5951614043931 9 1    393010 1      C-13-H3C(O)CH3
  174205.3958  0.0067 -5.0257 3  520.5814356  595161404442322 3    442223 3      C-13-H3C(O)CH3
  174205.4336  0.0068 -5.0257 3  520.5814356  595161404442322 4    442223 4      C-13-H3C(O)CH3
  174206.2490  0.0129 -5.1005 3  458.1412316  5951614043931 8 4    3930 9 4      C-13-H3C(O)CH3
  174218.8567  0.0054 -4.9830 3  104.4084188  59516140423 320 3    23 321 3      C-13-H3C(O)CH3
  174218.8567  0.0054 -4.9831 3  104.4084188  59516140423 420 3    23 221 3      C-13-H3C(O)CH3
  174219.0322  0.0063 -5.4672 3  104.4084188  59516140423 420 4    23 321 4      C-13-H3C(O)CH3
  174219.0322  0.0063 -5.1553 3  104.4084188  59516140423 320 4    23 321 4      C-13-H3C(O)CH3
  174219.0322  0.0063 -5.1553 3  104.4084188  59516140423 420 4    23 221 4      C-13-H3C(O)CH3
  174219.0322  0.0063 -5.4672 3  104.4084188  59516140423 320 4    23 221 4      C-13-H3C(O)CH3
  174224.0390  0.0898 -7.3375 3  979.5797952  595161404593821 1    593723 1      C-13-H3C(O)CH3
  174227.0181  0.0175 -5.3720 3  283.5751472  5951614042929 0 2    2928 2 2      C-13-H3C(O)CH3
  174233.4495  0.1475 -5.8302 3 1176.2759A48  595161404654026 0    653927 0      C-13-H3C(O)CH3
  174238.1658  0.0016 -4.3749 3   46.3700124 -59516140415 412 4    14 311 4      C-13-H3C(O)CH3
  174238.1658  0.0017 -4.3749 3   46.3699124 -59516140415 312 3    14 411 3      C-13-H3C(O)CH3
  174238.1658  0.0016 -4.3749 3   46.3700124 -59516140415 312 4    14 411 4      C-13-H3C(O)CH3
  174238.1658  0.0017 -4.3749 3   46.3699124 -59516140415 412 3    14 311 3      C-13-H3C(O)CH3
  174252.6737  0.0094 -4.7996 3  458.1325632  5951614043931 9 2    393010 2      C-13-H3C(O)CH3
  174253.5809  0.0264 -7.3649 3  202.2450220  595161404271611 4    2619 7 4      C-13-H3C(O)CH3
  174260.4959  0.1437 -7.2583 3  979.5798952  595161404593821 2    593723 2      C-13-H3C(O)CH3
  174265.8980  0.0113 -5.1004 3  458.1207316  5951614043931 8 3    3930 9 3      C-13-H3C(O)CH3
  174284.8508  0.0081 -7.0893 3   63.2286124  5951614041511 4 4    15 8 8 4      C-13-H3C(O)CH3
  174287.0909  0.0018 -4.0736 3   46.3164248 -59516140415 412 1    14 311 1      C-13-H3C(O)CH3
  174287.0909  0.0018 -4.0736 3   46.3164248 -59516140415 312 1    14 411 1      C-13-H3C(O)CH3
  174287.5590  0.0017 -4.0737 3   46.3157248 -59516140415 312 2    14 411 2      C-13-H3C(O)CH3
  174287.5590  0.0017 -4.0737 3   46.3157248 -59516140415 412 2    14 311 2      C-13-H3C(O)CH3
  174294.9216  0.0182 -5.3722 3  283.6399472  5951614042929 1 0    2928 1 0      C-13-H3C(O)CH3
  174294.9216  0.0182 -5.3722 3  283.6399472  5951614042929 0 0    2928 2 0      C-13-H3C(O)CH3
  174301.5140  0.0097 -4.7995 3  458.1494632  5951614043931 8 0    3930 9 0      C-13-H3C(O)CH3
  174301.6318  0.0097 -4.7995 3  458.1494632  5951614043931 9 0    393010 0      C-13-H3C(O)CH3
  174303.8068  0.0276 -5.1167 3  744.5974824  595161404513517 0    513418 0      C-13-H3C(O)CH3
  174309.7159  0.0426 -5.3853 3  928.4223936  595161404583425 0    583326 0      C-13-H3C(O)CH3
  174309.7721  0.0376 -5.3852 3  928.4281936  595161404583425 2    583326 2      C-13-H3C(O)CH3
  174312.9810  0.0105 -4.7993 3  458.1377632  5951614043931 8 1    3930 9 1      C-13-H3C(O)CH3
  174315.9892  0.0034 -4.5177 3  355.3521600 -595161404371721 2    371622 2      C-13-H3C(O)CH3
  174315.9892  0.0034 -4.5177 3  355.3521600 -595161404371621 2    371522 2      C-13-H3C(O)CH3
  174316.7818  0.0368 -5.6861 3  928.4333468  595161404583425 4    583326 4      C-13-H3C(O)CH3
  174317.2125  0.0426 -5.3851 3  928.4275936  595161404583425 1    583326 1      C-13-H3C(O)CH3
  174320.3714  0.0278 -5.1342 3  744.6050824  595161404513517 1    513418 1      C-13-H3C(O)CH3
  174320.4203  0.0363 -5.6861 3  928.4334468  595161404583425 3    583326 3      C-13-H3C(O)CH3
  174321.5194  0.0035 -4.8187 3  355.3261300 -595161404371721 3    371622 3      C-13-H3C(O)CH3
  174321.5194  0.0035 -4.8187 3  355.3261300 -595161404371621 4    371522 4      C-13-H3C(O)CH3
  174321.5194  0.0035 -4.8187 3  355.3261300 -595161404371621 3    371522 3      C-13-H3C(O)CH3
  174321.5194  0.0035 -4.8187 3  355.3261300 -595161404371721 4    371622 4      C-13-H3C(O)CH3
  174322.7582  0.0030 -4.5177 3  355.3804600 -595161404371721 0    371622 0      C-13-H3C(O)CH3
  174322.7582  0.0030 -4.5177 3  355.3804600 -595161404371621 0    371522 0      C-13-H3C(O)CH3
  174323.2860  0.0583 -5.6490 3  888.2314452  595161404563720 3    563621 3      C-13-H3C(O)CH3
  174328.2093  0.0033 -4.5177 3  355.3544600 -595161404371721 1    371622 1      C-13-H3C(O)CH3
  174328.2093  0.0033 -4.5177 3  355.3544600 -595161404371621 1    371522 1      C-13-H3C(O)CH3
  174329.1393  0.0064 -5.9375 3   68.9135264  5951614041610 7 2    1511 5 2      C-13-H3C(O)CH3
  174336.4476  0.0017 -4.0735 3   46.2623248 -59516140415 412 0    14 311 0      C-13-H3C(O)CH3
  174336.4476  0.0017 -4.0735 3   46.2623248 -59516140415 312 0    14 411 0      C-13-H3C(O)CH3
  174362.9190  0.6414 -6.6135 3 1432.3366580  595161404724230 4    724131 4      C-13-H3C(O)CH3
  174363.0600  0.6437 -6.6135 3 1432.3365580  595161404724230 3    724131 3      C-13-H3C(O)CH3
  174367.1592  0.0187 -5.6723 3  283.5181236  5951614042929 0 4    2928 1 4      C-13-H3C(O)CH3
  174383.4101  0.0048 -4.5998 3  118.8404392  59516140424 520 0    24 421 0      C-13-H3C(O)CH3
  174383.4101  0.0048 -6.3091 3  118.8404392  59516140424 520 0    24 321 0      C-13-H3C(O)CH3
  174383.4101  0.0048 -4.5998 3  118.8404392  59516140424 420 0    24 321 0      C-13-H3C(O)CH3
  174383.4101  0.0048 -6.3091 3  118.8404392  59516140424 420 0    24 421 0      C-13-H3C(O)CH3
  174394.2927  0.1440 -5.8297 3 1176.2901A48  595161404654026 2    653927 2      C-13-H3C(O)CH3
  174409.1636  0.0149 -6.7376 3  202.2496440  595161404271611 0    2619 8 0      C-13-H3C(O)CH3
  174429.7598  0.0347 -5.1273 3  744.6078824  595161404513517 2    513418 2      C-13-H3C(O)CH3
  174435.2142  0.0182 -5.3714 3  283.5828472  5951614042929 0 1    2928 1 1      C-13-H3C(O)CH3
  174451.1915  0.0117 -6.9604 3   65.2119124  5951614041512 4 4    15 9 7 4      C-13-H3C(O)CH3
  174461.6200  0.0152 -4.9257 3  654.0316792  595161404492623 2    492524 2      C-13-H3C(O)CH3
  174462.8045  0.0157 -5.2266 3  654.0209396  595161404492623 3    492524 3      C-13-H3C(O)CH3
  174463.1991  0.0159 -5.2266 3  654.0209396  595161404492623 4    492524 4      C-13-H3C(O)CH3
  174463.9393  0.1308 -5.8294 3 1176.2889A48  595161404654026 1    653927 1      C-13-H3C(O)CH3
  174478.0062  0.0091 -4.9258 3  654.0441792  595161404492623 0    492524 0      C-13-H3C(O)CH3
  174479.5614  0.0094 -4.9257 3  654.0334792  595161404492623 1    492524 1      C-13-H3C(O)CH3
  174482.0365  0.0065 -4.7060 3  104.3594376  59516140423 420 2    23 321 2      C-13-H3C(O)CH3
  174482.0365  0.0065 -4.7060 3  104.3594376  59516140423 320 2    23 221 2      C-13-H3C(O)CH3
  174482.0365  0.0065 -5.9140 3  104.3594376  59516140423 420 2    23 221 2      C-13-H3C(O)CH3
  174482.0365  0.0065 -5.9140 3  104.3594376  59516140423 320 2    23 321 2      C-13-H3C(O)CH3
  174484.0846  0.0066 -6.7775 3  104.3599376  59516140423 420 1    23 221 1      C-13-H3C(O)CH3
  174484.0846  0.0066 -4.6836 3  104.3599376  59516140423 420 1    23 321 1      C-13-H3C(O)CH3
  174484.0846  0.0066 -4.6836 3  104.3599376  59516140423 320 1    23 221 1      C-13-H3C(O)CH3
  174484.0846  0.0066 -6.7775 3  104.3599376  59516140423 320 1    23 321 1      C-13-H3C(O)CH3
  174488.1365  0.0063 -6.1122 3   90.4958180  59516140422 320 3    22 221 3      C-13-H3C(O)CH3
  174488.1365  0.0063 -5.1687 3   90.4958180  59516140422 220 3    22 221 3      C-13-H3C(O)CH3
  174488.1365  0.0063 -6.1122 3   90.4958180  59516140422 220 3    22 121 3      C-13-H3C(O)CH3
  174488.1365  0.0063 -5.1687 3   90.4958180  59516140422 320 3    22 121 3      C-13-H3C(O)CH3
  174488.4240  0.0071 -6.4162 3   90.4958180  59516140422 320 4    22 121 4      C-13-H3C(O)CH3
  174488.4240  0.0071 -6.4162 3   90.4958180  59516140422 220 4    22 221 4      C-13-H3C(O)CH3
  174488.4240  0.0071 -5.1445 3   90.4958180  59516140422 320 4    22 221 4      C-13-H3C(O)CH3
  174488.4240  0.0071 -5.1445 3   90.4958180  59516140422 220 4    22 121 4      C-13-H3C(O)CH3
  174542.6901  0.5117 -6.3117 3 1432.3289B60  595161404724230 1    724131 1      C-13-H3C(O)CH3
  174544.2499  0.1536 -7.2237 3  801.6832428  595161404533618 4    533518 4      C-13-H3C(O)CH3
  174547.7795  0.0185 -7.0835 3  202.2474440  595161404271611 1    2619 7 1      C-13-H3C(O)CH3
  174557.2440  0.0062 -5.8793 3   68.9074264  5951614041610 7 1    1511 5 1      C-13-H3C(O)CH3
  174559.4592  0.0382 -5.4809 3  744.6409412  595161404513517 3    513418 3      C-13-H3C(O)CH3
  174603.0646  0.0409 -5.4205 3  744.6090412  595161404513517 4    513418 4      C-13-H3C(O)CH3
  174618.2389  0.0959 -6.1300 3 1176.3031524  595161404654026 4    653927 4      C-13-H3C(O)CH3
  174619.9363  0.0070 -6.5170 3  281.2261536  595161404331419 1    321716 1      C-13-H3C(O)CH3
  174622.6386  0.0071 -6.8182 3  281.2019268  595161404331419 4    321716 4      C-13-H3C(O)CH3
  174622.8860  0.0069 -6.8182 3  281.2019268  595161404331419 3    321716 3      C-13-H3C(O)CH3
  174632.8150  0.1157 -6.1298 3 1176.3033524  595161404654026 3    653927 3      C-13-H3C(O)CH3
  174674.2792  0.0060 -6.5138 3  281.2456536  595161404331419 0    321716 0      C-13-H3C(O)CH3
  174677.4227  0.0070 -6.5140 3  281.2214536  595161404331419 2    321716 2      C-13-H3C(O)CH3
  174721.9901  0.0073 -6.3069 3   77.1805172  59516140421 120 3    21 021 3      C-13-H3C(O)CH3
  174721.9901  0.0073 -5.4422 3   77.1805172  59516140421 120 3    21 121 3      C-13-H3C(O)CH3
  174721.9901  0.0073 -5.4422 3   77.1805172  59516140421 220 3    21 021 3      C-13-H3C(O)CH3
  174721.9901  0.0073 -6.3069 3   77.1805172  59516140421 220 3    21 121 3      C-13-H3C(O)CH3
  174722.4086  0.0081 -5.3904 3   77.1805172  59516140421 220 4    21 021 4      C-13-H3C(O)CH3
  174722.4086  0.0081 -7.4528 3   77.1805172  59516140421 120 4    21 021 4      C-13-H3C(O)CH3
  174722.4086  0.0081 -5.3904 3   77.1805172  59516140421 120 4    21 121 4      C-13-H3C(O)CH3
  174722.4086  0.0081 -7.4528 3   77.1805172  59516140421 220 4    21 121 4      C-13-H3C(O)CH3
  174727.7872  1.2693 -7.2037 3 1902.2642D36  595161404834934 1    834835 1      C-13-H3C(O)CH3
  174746.6627  0.0061 -5.9714 3  104.3111376  59516140423 420 0    23 321 0      C-13-H3C(O)CH3
  174746.6627  0.0061 -4.6874 3  104.3111376  59516140423 320 0    23 321 0      C-13-H3C(O)CH3
  174746.6627  0.0061 -4.7009 3  104.3111376  59516140423 420 0    23 221 0      C-13-H3C(O)CH3
  174746.6627  0.0061 -6.3606 3  104.3111376  59516140423 320 0    23 221 0      C-13-H3C(O)CH3
  174753.5478  0.0068 -5.4303 3   81.1118280  5951614041712 6 0    1613 3 0      C-13-H3C(O)CH3
  174765.7750  0.6914 -6.3110 3 1432.3390B60  595161404724230 2    724131 2      C-13-H3C(O)CH3
  174779.9129  0.0080 -5.2013 3   90.4360360  59516140422 320 2    22 121 2      C-13-H3C(O)CH3
  174779.9129  0.0080 -6.4203 3   90.4360360  59516140422 220 2    22 121 2      C-13-H3C(O)CH3
  174779.9129  0.0080 -4.8298 3   90.4360360  59516140422 220 2    22 221 2      C-13-H3C(O)CH3
  174779.9129  0.0080 -5.0513 3   90.4360360  59516140422 320 2    22 221 2      C-13-H3C(O)CH3
  174781.0142  0.0082 -5.4277 3   90.4364360  59516140422 220 1    22 121 1      C-13-H3C(O)CH3
  174781.0142  0.0082 -4.9418 3   90.4364360  59516140422 220 1    22 221 1      C-13-H3C(O)CH3
  174781.0142  0.0082 -4.8588 3   90.4364360  59516140422 320 1    22 121 1      C-13-H3C(O)CH3
  174781.0142  0.0082 -5.8765 3   90.4364360  59516140422 320 1    22 221 1      C-13-H3C(O)CH3
  174791.4337  0.2488 -7.0968 3  979.5996476  595161404593821 4    593723 4      C-13-H3C(O)CH3
  174794.1591  0.0086 -4.9243 3  654.0455792  595161404492723 0    492624 0      C-13-H3C(O)CH3
  174794.3543  0.0131 -4.9242 3  654.0331792  595161404492723 2    492624 2      C-13-H3C(O)CH3
  174803.3790  0.1036 -6.2790 3  744.6409412  595161404513516 3    513418 3      C-13-H3C(O)CH3
  174807.9006  0.0094 -4.9241 3  654.0350792  595161404492723 1    492624 1      C-13-H3C(O)CH3
  174808.1738  0.0139 -5.2250 3  654.0225396  595161404492723 4    492624 4      C-13-H3C(O)CH3
  174808.4475  0.0137 -5.2250 3  654.0225396  595161404492723 3    492624 3      C-13-H3C(O)CH3
  174844.5355  0.0063 -7.0291 3   43.5353108  59516140413 7 6 3    13 4 9 3      C-13-H3C(O)CH3
  174860.4406  0.0070 -6.5157 3  281.2181536  595161404331519 1    321616 1      C-13-H3C(O)CH3
  174867.4901  0.0072 -6.8169 3  281.1938268  595161404331519 4    321616 4      C-13-H3C(O)CH3
  174868.2882  0.0070 -6.8169 3  281.1938268  595161404331519 3    321616 3      C-13-H3C(O)CH3
  174880.0945  0.0086 -7.0289 3   43.5353108  59516140413 7 6 4    13 4 9 4      C-13-H3C(O)CH3
  174913.7360  0.0069 -6.7219 3   43.4833216  59516140413 7 6 2    13 4 9 2      C-13-H3C(O)CH3
  174917.6264  0.0060 -6.5125 3  281.2375536  595161404331519 0    321616 0      C-13-H3C(O)CH3
  174925.6230  0.0070 -6.5127 3  281.2131536  595161404331519 2    321616 2      C-13-H3C(O)CH3
  174945.2974  0.5325 -6.3102 3 1432.3313B60  595161404724230 0    724131 0      C-13-H3C(O)CH3
  174956.4418  0.0178 -6.9758 3  202.2188440  595161404271611 2    2619 8 2      C-13-H3C(O)CH3
  174984.9857  1.2944 -7.2030 3 1902.2824D36  595161404834934 0    834835 0      C-13-H3C(O)CH3
  174986.9391  0.0144 -6.4751 3   94.5422296  5951614041814 5 1    1811 7 1      C-13-H3C(O)CH3
  175022.9641  0.0067 -6.7238 3   43.4842216  59516140413 7 6 1    13 4 9 1      C-13-H3C(O)CH3
  175026.9120  0.0268 -7.4525 3  360.7436584  595161404362215 2    352510 2      C-13-H3C(O)CH3
  175028.5250  0.1106 -6.2871 3  888.2017904  595161404563719 1    563621 1      C-13-H3C(O)CH3
  175042.7959  0.0098 -6.7710 3   77.1093344  59516140421 120 2    21 121 2      C-13-H3C(O)CH3
  175042.7959  0.0098 -5.0924 3   77.1093344  59516140421 120 2    21 021 2      C-13-H3C(O)CH3
  175042.7959  0.0098 -6.7710 3   77.1093344  59516140421 220 2    21 021 2      C-13-H3C(O)CH3
  175042.7959  0.0098 -5.0924 3   77.1093344  59516140421 220 2    21 121 2      C-13-H3C(O)CH3
  175042.9559  0.0100 -5.1181 3   77.1098344  59516140421 120 1    21 021 1      C-13-H3C(O)CH3
  175042.9559  0.0100 -6.2008 3   77.1098344  59516140421 120 1    21 121 1      C-13-H3C(O)CH3
  175042.9559  0.0100 -6.2008 3   77.1098344  59516140421 220 1    21 021 1      C-13-H3C(O)CH3
  175042.9559  0.0100 -5.1181 3   77.1098344  59516140421 220 1    21 121 1      C-13-H3C(O)CH3
  175072.1021  0.0077 -5.2726 3   90.3767360  59516140422 320 0    22 121 0      C-13-H3C(O)CH3
  175072.1021  0.0077 -5.0042 3   90.3767360  59516140422 220 0    22 121 0      C-13-H3C(O)CH3
  175072.1021  0.0077 -5.0042 3   90.3767360  59516140422 320 0    22 221 0      C-13-H3C(O)CH3
  175072.1021  0.0077 -5.2726 3   90.3767360  59516140422 220 0    22 221 0      C-13-H3C(O)CH3
  175075.1742  0.0063 -6.7177 3   43.4323216  59516140413 7 6 0    13 4 9 0      C-13-H3C(O)CH3
  175076.3157  1.6603 -7.2027 3 1902.2843D36  595161404834934 2    834835 2      C-13-H3C(O)CH3
  175098.3447  0.0158 -6.2940 3   71.0309132  5951614041611 5 4    1512 4 4      C-13-H3C(O)CH3
  175133.0685  0.0136 -5.1500 3  364.4908276  5951614043430 5 4    3429 6 4      C-13-H3C(O)CH3
  175177.8469  0.0126 -6.0081 3   81.1327140  5951614041712 6 3    1613 3 3      C-13-H3C(O)CH3
  175186.6896  0.0232 -7.4194 3  268.3915504  595161404311912 2    3022 8 2      C-13-H3C(O)CH3
  175201.7772  0.1770 -6.2384 3  888.2031904  595161404563719 2    563621 2      C-13-H3C(O)CH3
  175234.6747  0.0125 -5.1495 3  364.4963276  5951614043430 5 3    3429 6 3      C-13-H3C(O)CH3
  175240.2950  0.0868 -6.5198 3  744.6050824  595161404513516 1    513418 1      C-13-H3C(O)CH3
  175262.3724  0.0151 -7.3090 3  626.7855808  595161404501931 1    492228 1      C-13-H3C(O)CH3
  175262.3746  0.0151 -7.3090 3  626.7855808  595161404502031 1    492128 1      C-13-H3C(O)CH3
  175270.7738  0.0167 -7.3074 3  626.7844808  595161404501931 2    492228 2      C-13-H3C(O)CH3
  175270.7760  0.0167 -7.3074 3  626.7844808  595161404502031 2    492128 2      C-13-H3C(O)CH3
  175292.8539  0.0018 -4.2944 3   48.6503132 -59516140416 314 4    15 213 4      C-13-H3C(O)CH3
  175292.8539  0.0018 -4.2944 3   48.6503132 -59516140416 214 4    15 313 4      C-13-H3C(O)CH3
  175292.8539  0.0019 -4.2944 3   48.6503132 -59516140416 214 3    15 313 3      C-13-H3C(O)CH3
  175292.8539  0.0019 -4.2944 3   48.6503132 -59516140416 314 3    15 213 3      C-13-H3C(O)CH3
  175298.4445  0.0109 -4.8487 3  364.5458552  5951614043430 5 2    3429 6 2      C-13-H3C(O)CH3
  175313.2011  0.0335 -5.4125 3  769.7068428  595161404532924 3    532825 3      C-13-H3C(O)CH3
  175314.0301  0.0337 -5.4125 3  769.7068428  595161404532924 4    532825 4      C-13-H3C(O)CH3
  175324.6845  0.0119 -7.3085 3  626.8005808  595161404501931 0    492228 0      C-13-H3C(O)CH3
  175324.6865  0.0119 -7.3085 3  626.8005808  595161404502031 0    492128 0      C-13-H3C(O)CH3
  175328.7272  0.0020 -3.9932 3   48.5926264 -59516140416 314 1    15 213 1      C-13-H3C(O)CH3
  175328.7272  0.0019 -3.9932 3   48.5920264 -59516140416 314 2    15 213 2      C-13-H3C(O)CH3
  175328.7272  0.0019 -3.9932 3   48.5920264 -59516140416 214 2    15 313 2      C-13-H3C(O)CH3
  175328.7272  0.0020 -3.9932 3   48.5926264 -59516140416 214 1    15 313 1      C-13-H3C(O)CH3
  175331.1461  0.1101 -6.4845 3  801.6438856  595161404533618 2    533518 2      C-13-H3C(O)CH3
  175340.7066  0.0116 -4.8485 3  364.5270552  5951614043430 5 1    3429 6 1      C-13-H3C(O)CH3
  175356.5854  0.0138 -7.2275 3  370.6191600  595161404372018 1    362313 1      C-13-H3C(O)CH3
  175362.9798  0.0096 -6.4876 3   77.0387344  59516140421 120 0    21 021 0      C-13-H3C(O)CH3
  175362.9798  0.0096 -5.0987 3   77.0387344  59516140421 120 0    21 121 0      C-13-H3C(O)CH3
  175362.9798  0.0096 -6.4876 3   77.0387344  59516140421 220 0    21 121 0      C-13-H3C(O)CH3
  175362.9798  0.0096 -5.0987 3   77.0387344  59516140421 220 0    21 021 0      C-13-H3C(O)CH3
  175364.5712  0.0018 -3.9930 3   48.5344264 -59516140416 314 0    15 213 0      C-13-H3C(O)CH3
  175364.5712  0.0018 -3.9930 3   48.5344264 -59516140416 214 0    15 313 0      C-13-H3C(O)CH3
  175365.1257  0.0334 -5.1114 3  769.7095856  595161404532924 2    532825 2      C-13-H3C(O)CH3
  175372.7731  0.0125 -5.1492 3  364.5096276  5951614043430 4 3    3429 5 3      C-13-H3C(O)CH3
  175375.3021  0.0140 -7.2252 3  370.6136600  595161404372018 2    362313 2      C-13-H3C(O)CH3
  175376.2999  0.0167 -6.9257 3   94.5661148  5951614041814 5 3    1811 7 3      C-13-H3C(O)CH3
  175381.4856  0.0208 -5.1113 3  769.7105856  595161404532924 1    532825 1      C-13-H3C(O)CH3
  175396.9277  0.0082 -5.9870 3   68.9068132  5951614041610 7 4    1511 5 4      C-13-H3C(O)CH3
  175400.6412  0.0111 -4.8482 3  364.5511552  5951614043430 4 2    3429 5 2      C-13-H3C(O)CH3
  175416.4534  0.0117 -6.0499 3   81.1247140  5951614041712 6 3    1613 4 3      C-13-H3C(O)CH3
  175425.2809  0.0177 -7.0492 3  268.4073504  595161404311912 0    3022 9 0      C-13-H3C(O)CH3
  175432.0812  0.0210 -5.1112 3  769.7132856  595161404532924 0    532825 0      C-13-H3C(O)CH3
  175433.7167  0.0130 -7.2145 3   58.0353116  5951614041412 3 4    14 9 6 4      C-13-H3C(O)CH3
  175449.2839  0.0033 -4.7939 3  333.1670292 -595161404361621 3    361522 3      C-13-H3C(O)CH3
  175449.2839  0.0033 -4.7939 3  333.1670292 -595161404361521 4    361422 4      C-13-H3C(O)CH3
  175449.2839  0.0033 -4.7939 3  333.1670292 -595161404361621 4    361522 4      C-13-H3C(O)CH3
  175449.2839  0.0033 -4.7939 3  333.1670292 -595161404361521 3    361422 3      C-13-H3C(O)CH3
  175454.6378  0.0032 -4.4928 3  333.1920584 -595161404361621 2    361522 2      C-13-H3C(O)CH3
  175454.6378  0.0032 -4.4928 3  333.1920584 -595161404361521 2    361422 2      C-13-H3C(O)CH3
  175466.0976  0.0032 -4.4929 3  333.1941584 -595161404361521 1    361422 1      C-13-H3C(O)CH3
  175466.0976  0.0032 -4.4929 3  333.1941584 -595161404361621 1    361522 1      C-13-H3C(O)CH3
  175471.4822  0.0028 -4.4928 3  333.2191584 -595161404361621 0    361522 0      C-13-H3C(O)CH3
  175471.4822  0.0028 -4.4928 3  333.2191584 -595161404361521 0    361422 0      C-13-H3C(O)CH3
  175473.8403  0.0131 -5.1487 3  364.5150276  5951614043430 4 4    3429 5 4      C-13-H3C(O)CH3
  175475.1435  0.0905 -6.3403 3  801.6341856  595161404533618 1    533518 1      C-13-H3C(O)CH3
  175479.2015  0.0161 -7.2026 3  360.7538584  595161404362215 0    352510 0      C-13-H3C(O)CH3
  175504.2057  0.0132 -7.2223 3  370.6379600  595161404372018 0    362313 0      C-13-H3C(O)CH3
  175508.3827  0.0112 -4.8481 3  364.5818552  5951614043430 4 0    3429 5 0      C-13-H3C(O)CH3
  175508.3828  0.0112 -4.8481 3  364.5818552  5951614043430 5 0    3429 6 0      C-13-H3C(O)CH3
  175522.2378  0.0234 -7.2959 3  268.3803504  595161404311912 2    3022 9 2      C-13-H3C(O)CH3
  175554.8144  0.0227 -7.1974 3  202.2013220  595161404271611 3    2619 8 3      C-13-H3C(O)CH3
  175578.2993  0.0142 -6.4772 3   94.5337296  5951614041814 5 2    1811 7 2      C-13-H3C(O)CH3
  175581.1804  0.0111 -4.8476 3  364.5457552  5951614043430 4 1    3429 5 1      C-13-H3C(O)CH3
  175583.6315  0.1174 -6.7193 3  744.6078824  595161404513516 2    513418 2      C-13-H3C(O)CH3
  175585.2229  0.0120 -6.9921 3  315.0927552  595161404341916 2    332211 2      C-13-H3C(O)CH3
  175598.8026  0.0115 -5.1419 3  522.7212340  595161404423211 3    423111 3      C-13-H3C(O)CH3
  175603.1342  0.0125 -7.2997 3  315.0707276  595161404341916 3    332211 3      C-13-H3C(O)CH3
  175632.6170  0.0813 -5.6203 3 1064.1759A00  595161404623726 0    623627 0      C-13-H3C(O)CH3
  175634.8359  0.1245 -5.7978 3  992.0744484  595161404603426 3    603327 3      C-13-H3C(O)CH3
  175634.8443  0.0118 -7.2950 3  315.0696276  595161404341916 4    332211 4      C-13-H3C(O)CH3
  175636.2254  0.1240 -5.7978 3  992.0744484  595161404603426 4    603327 4      C-13-H3C(O)CH3
  175637.4267  0.0133 -5.1417 3  522.7473340  595161404423210 4    423111 4      C-13-H3C(O)CH3
  175640.6918  0.0108 -4.8408 3  522.7442680  595161404423210 2    423111 2      C-13-H3C(O)CH3
  175668.6309  0.0158 -6.6129 3   94.5661148  5951614041814 4 3    1811 7 3      C-13-H3C(O)CH3
  175672.9185  0.0592 -5.6201 3 1064.1864A00  595161404623726 2    623627 2      C-13-H3C(O)CH3
  175685.1756  0.0105 -4.8406 3  522.7009680  595161404423211 1    423112 1      C-13-H3C(O)CH3
  175694.9226  0.0769 -5.6200 3 1064.1846A00  595161404623726 1    623627 1      C-13-H3C(O)CH3
  175696.6151  0.0182 -7.2382 3  360.7258584  595161404362215 1    352510 1      C-13-H3C(O)CH3
  175704.5530  0.0165 -7.0557 3  318.8436552  595161404342015 2    332310 2      C-13-H3C(O)CH3
  175724.0963  0.0110 -4.8405 3  522.7269680  595161404423210 1    423111 1      C-13-H3C(O)CH3
  175726.4023  0.0119 -5.1414 3  522.6919340  595161404423211 4    423112 4      C-13-H3C(O)CH3
  175727.8944  0.0101 -4.8406 3  522.7238680  595161404423210 0    423111 0      C-13-H3C(O)CH3
  175729.2418  0.0101 -4.8406 3  522.7237680  595161404423211 0    423112 0      C-13-H3C(O)CH3
  175734.0267  0.1135 -5.7172 3 1112.4651A16  595161404634024 0    633925 0      C-13-H3C(O)CH3
  175734.0418  0.0440 -5.9208 3 1064.1952500  595161404623726 4    623627 4      C-13-H3C(O)CH3
  175739.7914  0.0454 -5.9208 3 1064.1952500  595161404623726 3    623627 3      C-13-H3C(O)CH3
  175752.2072  0.0077 -5.5401 3   81.0890280  5951614041712 6 2    1613 4 2      C-13-H3C(O)CH3
  175757.8027  0.0100 -7.1696 3   21.8749 76  595161404 9 8 1 4     8 7 2 4      C-13-H3C(O)CH3
  175766.0629  0.0906 -7.1271 3  665.9551388  595161404483415 3    483315 3      C-13-H3C(O)CH3
  175766.4432  0.0120 -5.1413 3  522.7180340  595161404423210 3    423112 3      C-13-H3C(O)CH3
  175769.3607  0.0104 -4.8404 3  522.7150680  595161404423211 2    423112 2      C-13-H3C(O)CH3
  175786.4384  0.0108 -6.9865 3  315.1129552  595161404341916 0    332211 0      C-13-H3C(O)CH3
  175801.0878  0.0189 -5.0022 3  665.9168776  595161404483414 0    483315 0      C-13-H3C(O)CH3
  175807.7321  0.0217 -7.3747 3  268.3860504  595161404311912 1    3022 8 1      C-13-H3C(O)CH3
  175815.0919  0.0110 -6.9910 3  315.0906552  595161404341916 1    332211 1      C-13-H3C(O)CH3
  175828.5014  0.0880 -5.4960 3  992.0672968  595161404603426 1    603327 1      C-13-H3C(O)CH3
  175837.1169  0.0153 -5.3032 3  665.9878388  595161404483414 4    483315 4      C-13-H3C(O)CH3
  175838.0771  0.0191 -5.0027 3  665.9434776  595161404483414 1    483315 1      C-13-H3C(O)CH3
  175838.8863  0.0159 -5.0024 3  665.9597776  595161404483414 2    483315 2      C-13-H3C(O)CH3
  175840.2990  0.0213 -7.4219 3  318.8187276  595161404342015 3    332310 3      C-13-H3C(O)CH3
  175844.0095  0.0178 -6.9826 3  202.2042440  595161404271611 1    2619 8 1      C-13-H3C(O)CH3
  175847.0143  0.1302 -5.4959 3  992.0690968  595161404603426 2    603327 2      C-13-H3C(O)CH3
  175871.7892  0.0030 -4.8213 3   30.3606 92 -59516140411 7 5 4    10 6 4 4      C-13-H3C(O)CH3
  175885.8952  0.0188 -5.0018 3  665.9136776  595161404483415 0    483316 0      C-13-H3C(O)CH3
  175900.6518  0.0097 -6.6653 3   65.1781248  5951614041512 4 1    15 9 7 1      C-13-H3C(O)CH3
  175936.7399  0.0151 -5.3092 3  665.9551388  595161404483414 3    483315 3      C-13-H3C(O)CH3
  175937.4747  0.0075 -5.5214 3   81.0781280  5951614041712 6 1    1613 4 1      C-13-H3C(O)CH3
  175941.4701  0.0120 -7.0212 3  318.8619552  595161404342015 0    332310 0      C-13-H3C(O)CH3
  175948.4877  0.0193 -5.0023 3  665.9104776  595161404483415 1    483316 1      C-13-H3C(O)CH3
  175949.3846  2.7369 -7.3174 3 1960.7368D52  595161404845232 2    845133 2      C-13-H3C(O)CH3
  175951.4207  0.0165 -7.3313 3  318.8149276  595161404342015 4    332310 4      C-13-H3C(O)CH3
  175951.8611  0.0108 -7.2572 3  468.7650348  595161404431726 4    422023 4      C-13-H3C(O)CH3
  175951.9123  0.0108 -7.2573 3  468.7650348  595161404431726 3    422023 3      C-13-H3C(O)CH3
  175952.2593  0.0108 -7.2572 3  468.7650348  595161404431826 4    421923 4      C-13-H3C(O)CH3
  175952.3126  0.0108 -7.2573 3  468.7650348  595161404431826 3    421923 3      C-13-H3C(O)CH3
  175978.4977  0.0106 -6.9566 3  468.7917696  595161404431726 1    422023 1      C-13-H3C(O)CH3
  175978.8649  0.0106 -6.9566 3  468.7917696  595161404431826 1    421923 1      C-13-H3C(O)CH3
  175982.4756  0.1321 -5.7172 3 1112.4859A16  595161404634024 2    633925 2      C-13-H3C(O)CH3
  175999.8298  0.0028 -4.8159 3   30.3589 92 -59516140411 7 5 3    10 6 4 3      C-13-H3C(O)CH3
  176002.2005  0.0110 -6.9545 3  468.7892696  595161404431726 2    422023 2      C-13-H3C(O)CH3
  176002.5817  0.0110 -6.9545 3  468.7892696  595161404431826 2    421923 2      C-13-H3C(O)CH3
  176014.8240  0.0994 -5.7173 3 1112.4868A16  595161404634024 1    633925 1      C-13-H3C(O)CH3
  176023.2866  0.0586 -5.4397 3  950.4344936  595161404583821 0    583722 0      C-13-H3C(O)CH3
  176028.6636  0.0092 -6.9551 3  468.8159696  595161404431726 0    422023 0      C-13-H3C(O)CH3
  176029.0134  0.0092 -6.9551 3  468.8159696  595161404431826 0    421923 0      C-13-H3C(O)CH3
  176037.2896  0.0917 -5.4952 3  992.0618968  595161404603426 0    603327 0      C-13-H3C(O)CH3
  176049.8891  0.0043 -4.6820 3  494.4392696  595161404432122 0    432023 0      C-13-H3C(O)CH3
  176060.9867  0.0043 -4.6819 3  494.4393696  595161404432222 0    432123 0      C-13-H3C(O)CH3
  176067.1875  0.0056 -4.6818 3  494.4142696  595161404432122 2    432023 2      C-13-H3C(O)CH3
  176073.5558  0.0200 -5.0015 3  665.9168776  595161404483415 2    483316 2      C-13-H3C(O)CH3
  176075.9238  0.0205 -5.3087 3  665.9448388  595161404483415 3    483316 3      C-13-H3C(O)CH3
  176079.0058  0.0056 -4.6817 3  494.4142696  595161404432222 2    432123 2      C-13-H3C(O)CH3
  176081.4903  0.0046 -4.6817 3  494.4167696  595161404432122 1    432023 1      C-13-H3C(O)CH3
  176089.1293  0.2704 -6.5593 3  888.2193452  595161404563719 4    563621 4      C-13-H3C(O)CH3
  176090.2539  0.0365 -5.2008 3  801.6026856  595161404533617 0    533518 0      C-13-H3C(O)CH3
  176092.9754  0.0046 -4.6817 3  494.4167696  595161404432222 1    432123 1      C-13-H3C(O)CH3
  176098.8666  0.0059 -4.9825 3  494.3916348  595161404432122 3    432023 3      C-13-H3C(O)CH3
  176098.9524  0.0059 -4.9825 3  494.3915348  595161404432122 4    432023 4      C-13-H3C(O)CH3
  176111.1017  0.0059 -4.9825 3  494.3916348  595161404432222 3    432123 3      C-13-H3C(O)CH3
  176111.1496  0.0059 -4.9825 3  494.3916348  595161404432222 4    432123 4      C-13-H3C(O)CH3
  176115.7983  0.7544 -6.4216 3 1488.9861B76  595161404734627 0    734528 0      C-13-H3C(O)CH3
  176116.1593  0.0135 -7.0647 3  318.8357552  595161404342015 1    332310 1      C-13-H3C(O)CH3
  176148.4979  0.0611 -5.4706 3  950.4590936  595161404583821 1    583722 1      C-13-H3C(O)CH3
  176158.2436  0.0033 -4.5153 3   30.3028184 -59516140411 7 5 1    10 6 4 1      C-13-H3C(O)CH3
  176158.3693  0.0598 -5.4772 3  950.4596936  595161404583821 2    583722 2      C-13-H3C(O)CH3
  176159.3650  2.2224 -7.3165 3 1960.7353D52  595161404845232 0    845133 0      C-13-H3C(O)CH3
  176174.5944  0.0228 -5.3018 3  665.9121388  595161404483415 4    483316 4      C-13-H3C(O)CH3
  176203.3484  0.0671 -5.7951 3  950.4805468  595161404583821 4    583722 4      C-13-H3C(O)CH3
  176221.1514  0.0112 -5.1018 3  439.5142308  5951614043831 8 3    3830 9 3      C-13-H3C(O)CH3
  176226.5485  0.0973 -6.0205 3 1112.5071508  595161404634024 4    633925 4      C-13-H3C(O)CH3
  176227.1173  0.0150 -6.7304 3  177.3540204  5951614042517 9 4    251411 4      C-13-H3C(O)CH3
  176239.0706  0.0131 -5.2103 3  592.0188364  595161404453312 4    453213 4      C-13-H3C(O)CH3
  176239.7776  0.0111 -5.1018 3  439.4972308  5951614043831 8 4    3830 9 4      C-13-H3C(O)CH3
  176243.6260  0.0101 -6.6679 3   65.1763248  5951614041512 4 2    15 9 7 2      C-13-H3C(O)CH3
  176245.0856  0.0036 -4.5144 3   30.2994184 -59516140411 7 5 2    10 6 4 2      C-13-H3C(O)CH3
  176246.6009  0.0960 -7.1245 3  665.9448388  595161404483414 3    483316 3      C-13-H3C(O)CH3
  176249.6138  0.0120 -4.9093 3  592.0022728  595161404453312 2    453213 2      C-13-H3C(O)CH3
  176259.6303  0.0900 -6.3438 3  801.6549428  595161404533618 3    533518 3      C-13-H3C(O)CH3
  176273.8477  0.0122 -5.2103 3  591.9893364  595161404453312 3    453213 3      C-13-H3C(O)CH3
  176280.1548  0.4529 -6.3861 3 1314.9153556  595161404694029 3    693930 3      C-13-H3C(O)CH3
  176280.4888  0.4506 -6.3861 3 1314.9154556  595161404694029 4    693930 4      C-13-H3C(O)CH3
  176292.0802  0.0128 -4.9092 3  591.9845728  595161404453312 1    453213 1      C-13-H3C(O)CH3
  176297.8046  0.0125 -4.9092 3  591.9680728  595161404453312 0    453213 0      C-13-H3C(O)CH3
  176298.8856  0.1466 -6.0162 3 1112.5083508  595161404634024 3    633925 3      C-13-H3C(O)CH3
  176309.7374  0.0125 -4.9092 3  591.9676728  595161404453313 0    453214 0      C-13-H3C(O)CH3
  176320.5914  0.0045 -6.4813 3  177.7470212  595161404261214 3    251511 3      C-13-H3C(O)CH3
  176327.2015  0.0134 -4.9090 3  591.9549728  595161404453313 1    453214 1      C-13-H3C(O)CH3
  176330.9990  0.0048 -6.4812 3  177.7467212  595161404261214 4    251511 4      C-13-H3C(O)CH3
  176332.3241  0.0100 -4.8006 3  439.5180616  5951614043831 8 1    3830 9 1      C-13-H3C(O)CH3
  176336.5886  0.0102 -4.8006 3  439.5529616  5951614043831 7 2    3830 8 2      C-13-H3C(O)CH3
  176347.3710  0.9616 -6.4208 3 1488.9943B76  595161404734627 2    734528 2      C-13-H3C(O)CH3
  176348.4900  0.0048 -6.1790 3  177.7538424  595161404261214 1    251511 1      C-13-H3C(O)CH3
  176355.5316  0.0096 -4.8006 3  439.5360616  5951614043831 8 2    3830 9 2      C-13-H3C(O)CH3
  176363.7866  0.0427 -5.2325 3  801.6341856  595161404533617 1    533518 1      C-13-H3C(O)CH3
  176365.3798  0.0130 -5.1013 3  439.5362308  5951614043831 7 4    3830 8 4      C-13-H3C(O)CH3
  176371.6863  0.0022 -4.2249 3   50.3848140 -59516140417 216 3    16 115 3      C-13-H3C(O)CH3
  176371.6863  0.0021 -4.2249 3   50.3848140 -59516140417 216 4    16 115 4      C-13-H3C(O)CH3
  176371.6863  0.0021 -6.8294 3   50.3848140 -59516140417 116 4    16 115 4      C-13-H3C(O)CH3
  176371.6863  0.0022 -4.2248 3   50.3848140 -59516140417 116 3    16 215 3      C-13-H3C(O)CH3
  176371.6946  0.0021 -4.2259 3   50.3848140  59516140417 116 4    16 215 4      C-13-H3C(O)CH3
  176373.8714  0.0047 -6.1762 3  177.7494424  595161404261214 2    251511 2      C-13-H3C(O)CH3
  176375.5380  0.0169 -6.6447 3  139.2125344  5951614042119 3 0    2020 0 0      C-13-H3C(O)CH3
  176375.5438  0.0169 -6.6447 3  139.2125344  5951614042119 2 0    2020 1 0      C-13-H3C(O)CH3
  176385.2434  0.0115 -5.1013 3  439.5193308  5951614043831 7 3    3830 8 3      C-13-H3C(O)CH3
  176393.5498  0.0024 -3.9236 3   50.3212280  59516140417 116 1    16 215 1      C-13-H3C(O)CH3
  176393.5498  0.0024 -3.9236 3   50.3212280  59516140417 216 1    16 115 1      C-13-H3C(O)CH3
  176393.6305  0.0023 -3.9236 3   50.3207280 -59516140417 216 2    16 115 2      C-13-H3C(O)CH3
  176393.6876  0.0023 -3.9236 3   50.3207280  59516140417 116 2    16 215 2      C-13-H3C(O)CH3
  176397.1336  0.0045 -6.1750 3  177.7563424  595161404261214 0    251511 0      C-13-H3C(O)CH3
  176415.5141  0.0022 -6.7616 3   50.2572280  59516140417 116 0    16 115 0      C-13-H3C(O)CH3
  176415.5141  0.0022 -6.7277 3   50.2572280  59516140417 216 0    16 215 0      C-13-H3C(O)CH3
  176415.5169  0.0022 -3.9241 3   50.2572280 -59516140417 216 0    16 115 0      C-13-H3C(O)CH3
  176415.5169  0.0022 -3.9241 3   50.2572280 -59516140417 116 0    16 215 0      C-13-H3C(O)CH3
  176427.4147  0.0137 -5.2098 3  591.9821364  595161404453313 3    453214 3      C-13-H3C(O)CH3
  176437.8433  0.0130 -4.9087 3  591.9655728  595161404453313 2    453214 2      C-13-H3C(O)CH3
  176438.6630  0.0372 -5.2227 3  801.6438856  595161404533617 2    533518 2      C-13-H3C(O)CH3
  176442.9067  0.0110 -6.8573 3   65.2128124  5951614041512 4 3    15 9 7 3      C-13-H3C(O)CH3
  176449.5749  0.0100 -4.8004 3  439.5566616  5951614043831 7 0    3830 8 0      C-13-H3C(O)CH3
  176449.5936  0.0100 -4.8004 3  439.5566616  5951614043831 8 0    3830 9 0      C-13-H3C(O)CH3
  176460.9243  0.0150 -5.2095 3  591.9525364  595161404453313 4    453214 4      C-13-H3C(O)CH3
  176466.3990  0.0037 -4.5120 3   30.2426184 -59516140411 7 5 0    10 6 4 0      C-13-H3C(O)CH3
  176468.1830  0.0031 -4.7726 3  311.5852284 -595161404351521 3    351422 3      C-13-H3C(O)CH3
  176468.1830  0.0032 -4.7726 3  311.5852284 -595161404351421 4    351322 4      C-13-H3C(O)CH3
  176468.1830  0.0031 -4.7726 3  311.5852284 -595161404351421 3    351322 3      C-13-H3C(O)CH3
  176468.1830  0.0032 -4.7726 3  311.5852284 -595161404351521 4    351422 4      C-13-H3C(O)CH3
  176472.3449  0.0274 -7.2990 3  202.1710220  595161404271611 4    2619 8 4      C-13-H3C(O)CH3
  176477.5051  0.0105 -4.8001 3  439.5399616  5951614043831 7 1    3830 8 1      C-13-H3C(O)CH3
  176484.8962  0.0216 -7.3174 3  268.3634504  595161404311912 1    3022 9 1      C-13-H3C(O)CH3
  176486.5015  0.0030 -4.4714 3  311.6086568 -595161404351521 2    351422 2      C-13-H3C(O)CH3
  176486.5015  0.0030 -4.4714 3  311.6086568 -595161404351421 2    351322 2      C-13-H3C(O)CH3
  176497.1731  0.0030 -4.4714 3  311.6106568 -595161404351521 1    351422 1      C-13-H3C(O)CH3
  176497.1731  0.0030 -4.4714 3  311.6106568 -595161404351421 1    351322 1      C-13-H3C(O)CH3
  176502.2441  0.3544 -6.0841 3 1314.9060B12  595161404694029 1    693930 1      C-13-H3C(O)CH3
  176507.5369  0.0642 -5.5676 3  801.6549428  595161404533617 3    533518 3      C-13-H3C(O)CH3
  176512.1406  0.0036 -5.6482 3   13.4200 68  595161404 8 4 4 3     7 3 5 3      C-13-H3C(O)CH3
  176515.3300  0.0154 -5.2041 3  348.4394268  5951614043330 4 4    3329 5 4      C-13-H3C(O)CH3
  176515.3972  0.0027 -4.4713 3  311.6339568 -595161404351521 0    351422 0      C-13-H3C(O)CH3
  176515.3972  0.0027 -4.4713 3  311.6339568 -595161404351421 0    351322 0      C-13-H3C(O)CH3
  176529.4975  0.0382 -5.5084 3  801.6832428  595161404533617 4    533518 4      C-13-H3C(O)CH3
  176535.5541  0.0763 -5.7405 3  950.4884468  595161404583821 3    583722 3      C-13-H3C(O)CH3
  176542.4724  0.0044 -5.6482 3   13.4200 68  595161404 8 4 4 4     7 3 5 4      C-13-H3C(O)CH3
  176572.3816  0.0090 -5.7639 3   81.0558140  5951614041712 6 4    1613 4 4      C-13-H3C(O)CH3
  176573.3648  0.0238 -5.4066 3  769.7138428  595161404533024 4    532925 4      C-13-H3C(O)CH3
  176574.3251  0.0235 -5.4066 3  769.7138428  595161404533024 3    532925 3      C-13-H3C(O)CH3
  176576.9576  0.0118 -5.7618 3   81.2017140  5951614041712 5 4    1613 3 4      C-13-H3C(O)CH3
  176578.0924  0.0227 -5.1056 3  769.7162856  595161404533024 2    532925 2      C-13-H3C(O)CH3
  176587.5416  0.0185 -5.1056 3  769.7171856  595161404533024 1    532925 1      C-13-H3C(O)CH3
  176592.2283  0.0173 -5.1057 3  769.7194856  595161404533024 0    532925 0      C-13-H3C(O)CH3
  176611.2504  0.0042 -5.3454 3   13.3517136  595161404 8 4 4 2     7 3 5 2      C-13-H3C(O)CH3
  176611.9368  0.0111 -6.7774 3  177.3594408  5951614042517 9 1    251411 1      C-13-H3C(O)CH3
  176649.3609  0.0088 -5.5336 3   81.1579280  5951614041712 5 2    1613 3 2      C-13-H3C(O)CH3
  176656.2260  0.0040 -5.3457 3   13.3523136  595161404 8 4 4 1     7 3 5 1      C-13-H3C(O)CH3
  176661.7226  0.0137 -5.2035 3  348.4431268  5951614043330 4 3    3329 5 3      C-13-H3C(O)CH3
  176662.8342  0.4851 -6.0835 3 1314.9134B12  595161404694029 2    693930 2      C-13-H3C(O)CH3
  176682.1304  0.0167 -6.6435 3  139.1296344  5951614042119 3 1    2020 1 1      C-13-H3C(O)CH3
  176685.3732  0.0123 -4.9028 3  348.4997536  5951614043330 4 2    3329 5 2      C-13-H3C(O)CH3
  176694.8196  0.0152 -6.6420 3  139.2042344  5951614042119 2 2    2020 0 2      C-13-H3C(O)CH3
  176711.7043  0.0104 -7.2370 3   65.2128124  5951614041512 3 3    15 9 7 3      C-13-H3C(O)CH3
  176718.5166  0.7255 -6.4193 3 1488.9917B76  595161404734627 1    734528 1      C-13-H3C(O)CH3
  176727.3217  2.1048 -7.3142 3 1960.7221D52  595161404845232 1    845133 1      C-13-H3C(O)CH3
  176740.4434  0.0038 -5.3440 3   13.2841136  595161404 8 4 4 0     7 3 5 0      C-13-H3C(O)CH3
  176755.8246  0.0132 -4.9025 3  348.4815536  5951614043330 4 1    3329 5 1      C-13-H3C(O)CH3
  176783.1578  0.0137 -5.2032 3  348.4595268  5951614043330 3 3    3329 4 3      C-13-H3C(O)CH3
  176791.1171  0.0162 -6.6420 3  139.1861344  5951614042119 2 1    2020 0 1      C-13-H3C(O)CH3
  176800.9054  0.0229 -7.2439 3  339.4542568  595161404352115 2    342410 2      C-13-H3C(O)CH3
  176809.6881  0.0091 -5.5144 3   81.1549280  5951614041712 5 1    1613 3 1      C-13-H3C(O)CH3
  176822.6879  0.1900 -6.9811 3  860.8010444  595161404553719 4    553619 4      C-13-H3C(O)CH3
  176824.5549  0.0172 -6.6420 3  139.1372344  5951614042119 3 2    2020 1 2      C-13-H3C(O)CH3
  176832.7600  0.0123 -4.9022 3  348.5032536  5951614043330 3 2    3329 4 2      C-13-H3C(O)CH3
  176858.7208  0.1973 -5.9780 3 1094.7658508  595161404633627 3    633528 3      C-13-H3C(O)CH3
  176859.8655  0.1961 -5.9780 3 1094.7658508  595161404633627 4    633528 4      C-13-H3C(O)CH3
  176859.9393  0.0350 -5.1971 3  801.5731856  595161404533618 0    533519 0      C-13-H3C(O)CH3
  176867.5778  0.0351 -5.2302 3  801.5876856  595161404533618 1    533519 1      C-13-H3C(O)CH3
  176883.4838  0.3694 -6.0827 3 1314.9040B12  595161404694029 0    693930 0      C-13-H3C(O)CH3
  176928.3680  0.0125 -4.9022 3  348.5417536  5951614043330 3 0    3329 4 0      C-13-H3C(O)CH3
  176928.3680  0.0125 -4.9022 3  348.5417536  5951614043330 4 0    3329 5 0      C-13-H3C(O)CH3
  176929.4348  0.0140 -5.2026 3  348.4631268  5951614043330 3 4    3329 4 4      C-13-H3C(O)CH3
  176944.1615  0.8914 -6.7193 3 1489.0000588  595161404734627 4    734528 4      C-13-H3C(O)CH3
  176949.7745  0.0439 -5.2205 3  801.5898856  595161404533618 2    533519 2      C-13-H3C(O)CH3
  176951.5254  0.8712 -6.7196 3 1489.0000588  595161404734627 3    734528 3      C-13-H3C(O)CH3
  176969.9521  0.1677 -5.8919 3 1214.7523A64  595161404664126 0    664027 0      C-13-H3C(O)CH3
  176986.2828  0.0112 -6.9431 3   58.0009232  5951614041412 3 1    14 9 6 1      C-13-H3C(O)CH3
  176998.2384  0.0171 -6.9418 3  139.1213172  5951614042119 2 3    2020 0 3      C-13-H3C(O)CH3
  177024.8988  0.0123 -4.9016 3  348.5015536  5951614043330 3 1    3329 4 1      C-13-H3C(O)CH3
  177057.9381  0.0126 -7.0966 3   51.4118216  5951614041312 1 0    13 9 4 0      C-13-H3C(O)CH3
  177081.8017  0.1458 -5.6761 3 1094.7564A16  595161404633627 1    633528 1      C-13-H3C(O)CH3
  177086.4495  0.0094 -6.4183 3  150.8616196  595161404241213 4    231310 4      C-13-H3C(O)CH3
  177090.0989  0.0102 -7.1013 3  177.3484408  5951614042517 9 2    251411 2      C-13-H3C(O)CH3
  177104.9564  0.3043 -6.1741 3 1202.3853532  595161404663828 3    663729 3      C-13-H3C(O)CH3
  177105.7250  0.3025 -6.1741 3 1202.3854532  595161404663828 4    663729 4      C-13-H3C(O)CH3
  177108.7164  0.0188 -6.9403 3  139.1778172  5951614042119 2 4    2020 0 4      C-13-H3C(O)CH3
  177109.5013  0.0080 -6.4183 3  150.8608196  595161404241213 3    231310 3      C-13-H3C(O)CH3
  177126.4387  0.0170 -6.9418 3  139.0545172  5951614042119 3 4    2020 1 4      C-13-H3C(O)CH3
  177127.5450  0.0121 -6.1415 3   94.5094296  5951614041814 4 0    1811 7 0      C-13-H3C(O)CH3
  177135.3624  0.2084 -5.6759 3 1094.7597A16  595161404633627 2    633528 2      C-13-H3C(O)CH3
  177137.7050  0.0543 -5.5059 3  801.5967428  595161404533618 4    533519 4      C-13-H3C(O)CH3
  177143.6534  0.0138 -7.0957 3  339.4689568  595161404352115 0    342410 0      C-13-H3C(O)CH3
  177149.1978  0.0150 -6.4080 3   94.5422296  5951614041814 4 1    1811 7 1      C-13-H3C(O)CH3
  177156.5930  0.1816 -5.8913 3 1214.7683A64  595161404664126 2    664027 2      C-13-H3C(O)CH3
  177160.0715  0.0509 -5.5645 3  801.6249428  595161404533618 3    533519 3      C-13-H3C(O)CH3
  177180.2248  0.0071 -6.1155 3  150.8588392  595161404241213 1    231310 1      C-13-H3C(O)CH3
  177216.7357  0.0119 -4.8701 3  624.9982776  595161404482523 2    482424 2      C-13-H3C(O)CH3
  177217.5173  0.0073 -4.8703 3  625.0131776  595161404482523 0    482424 0      C-13-H3C(O)CH3
  177231.3223  0.0124 -5.1710 3  624.9853388  595161404482523 3    482424 3      C-13-H3C(O)CH3
  177231.5641  0.0125 -5.1710 3  624.9853388  595161404482523 4    482424 4      C-13-H3C(O)CH3
  177232.2443  0.0078 -4.8701 3  625.0002776  595161404482523 1    482424 1      C-13-H3C(O)CH3
  177236.6163  0.0165 -6.9403 3  139.1108172  5951614042119 3 3    2020 1 3      C-13-H3C(O)CH3
  177241.0801  0.1483 -5.8910 3 1214.7680A64  595161404664126 1    664027 1      C-13-H3C(O)CH3
  177245.3545  0.0077 -5.4143 3   81.1105280  5951614041712 5 0    1613 4 0      C-13-H3C(O)CH3
  177247.1931  0.0142 -7.2892 3   51.4578216  5951614041312 1 1    13 9 4 1      C-13-H3C(O)CH3
  177260.5211  0.0049 -4.6842 3   43.3594216 -59516140413 7 6 0    12 8 5 0      C-13-H3C(O)CH3
  177318.9334  0.0115 -6.9505 3   58.0002232  5951614041412 3 2    14 9 6 2      C-13-H3C(O)CH3
  177332.1903  0.0057 -4.6835 3   43.4026216 -59516140413 7 6 2    12 8 5 2      C-13-H3C(O)CH3
  177340.1317  0.2325 -5.8721 3 1202.3752A64  595161404663828 1    663729 1      C-13-H3C(O)CH3
  177349.0680  0.0130 -6.1025 3  122.0853328  5951614042017 4 0    1918 1 0      C-13-H3C(O)CH3
  177349.6839  0.0130 -6.1025 3  122.0853328  5951614042017 3 0    1918 2 0      C-13-H3C(O)CH3
  177350.8857  0.0071 -4.8696 3  625.0136776  595161404482623 0    482524 0      C-13-H3C(O)CH3
  177354.7923  0.0153 -7.1357 3  339.4411568  595161404352115 1    342410 1      C-13-H3C(O)CH3
  177355.1167  0.1519 -5.6750 3 1094.7502A16  595161404633627 0    633528 0      C-13-H3C(O)CH3
  177357.7305  0.0110 -4.8695 3  624.9988776  595161404482623 2    482524 2      C-13-H3C(O)CH3
  177371.0193  0.0078 -4.8694 3  625.0008776  595161404482623 1    482524 1      C-13-H3C(O)CH3
  177377.9862  0.0117 -5.1703 3  624.9859388  595161404482623 4    482524 4      C-13-H3C(O)CH3
  177378.0727  0.0116 -5.1703 3  624.9859388  595161404482623 3    482524 3      C-13-H3C(O)CH3
  177388.6542  0.0029 -4.7549 3  290.5830276 -595161404341421 3    341322 3      C-13-H3C(O)CH3
  177388.6542  0.0031 -4.7549 3  290.5830276 -595161404341421 4    341322 4      C-13-H3C(O)CH3
  177388.6542  0.0031 -4.7549 3  290.5830276 -595161404341321 4    341222 4      C-13-H3C(O)CH3
  177388.6542  0.0029 -4.7549 3  290.5830276 -595161404341321 3    341222 3      C-13-H3C(O)CH3
  177407.9781  0.1120 -6.3382 3  801.6249428  595161404533617 3    533519 3      C-13-H3C(O)CH3
  177410.2184  0.0070 -6.1106 3  150.8478392  595161404241213 2    231310 2      C-13-H3C(O)CH3
  177419.2730  0.1309 -6.1916 3 1214.7840532  595161404664126 4    664027 4      C-13-H3C(O)CH3
  177421.8796  0.0029 -4.4536 3  290.6040552 -595161404341421 2    341322 2      C-13-H3C(O)CH3
  177421.8796  0.0029 -4.4536 3  290.6040552 -595161404341321 2    341222 2      C-13-H3C(O)CH3
  177431.7588  0.0029 -4.4536 3  290.6058552 -595161404341321 1    341222 1      C-13-H3C(O)CH3
  177431.7588  0.0029 -4.4536 3  290.6058552 -595161404341421 1    341322 1      C-13-H3C(O)CH3
  177433.2518  0.0052 -4.9788 3   43.4489108  59516140413 7 6 3    12 8 5 3      C-13-H3C(O)CH3
  177436.4046  0.1596 -6.1913 3 1214.7843532  595161404664126 3    664027 3      C-13-H3C(O)CH3
  177441.7380  0.3241 -5.8718 3 1202.3804A64  595161404663828 2    663729 2      C-13-H3C(O)CH3
  177460.1960  0.0026 -5.1955 3   51.5777148  59516140418 118 3    17 017 3      C-13-H3C(O)CH3
  177460.1960  0.0026 -4.2051 3   51.5777148  59516140418 018 3    17 017 3      C-13-H3C(O)CH3
  177460.2015  0.0026 -4.1664 3   51.5777148  59516140418 018 4    17 117 4      C-13-H3C(O)CH3
  177460.2015  0.0026 -4.1664 3   51.5777148  59516140418 118 4    17 017 4      C-13-H3C(O)CH3
  177460.2195  0.0026 -4.2051 3   51.5777148 -59516140418 118 3    17 117 3      C-13-H3C(O)CH3
  177460.2195  0.0026 -5.1955 3   51.5777148 -59516140418 018 3    17 117 3      C-13-H3C(O)CH3
  177460.2195  0.0026 -6.2566 3   51.5777148 -59516140418 018 4    17 017 4      C-13-H3C(O)CH3
  177460.2195  0.0026 -6.2566 3   51.5777148 -59516140418 118 4    17 117 4      C-13-H3C(O)CH3
  177464.7924  0.0026 -4.4534 3  290.6267552 -595161404341321 0    341222 0      C-13-H3C(O)CH3
  177464.7924  0.0026 -4.4534 3  290.6267552 -595161404341421 0    341322 0      C-13-H3C(O)CH3
  177466.7308  0.0030 -3.9629 3   51.5060296  59516140418 118 1    17 117 1      C-13-H3C(O)CH3
  177466.7308  0.0030 -3.9629 3   51.5060296  59516140418 018 1    17 017 1      C-13-H3C(O)CH3
  177466.7908  0.0030 -4.5437 3   51.5060296 -59516140418 118 1    17 017 1      C-13-H3C(O)CH3
  177466.7908  0.0029 -3.8914 3   51.5056296 -59516140418 018 2    17 017 2      C-13-H3C(O)CH3
  177466.7908  0.0029 -3.8914 3   51.5056296 -59516140418 118 2    17 117 2      C-13-H3C(O)CH3
  177466.7908  0.0030 -4.5437 3   51.5060296 -59516140418 018 1    17 117 1      C-13-H3C(O)CH3
  177466.8284  0.0029 -5.0413 3   51.5056296  59516140418 118 2    17 017 2      C-13-H3C(O)CH3
  177466.8284  0.0029 -5.0413 3   51.5056296  59516140418 018 2    17 117 2      C-13-H3C(O)CH3
  177466.8782  0.0146 -6.4109 3   94.5337296  5951614041814 4 2    1811 7 2      C-13-H3C(O)CH3
  177471.1958  0.0053 -4.6813 3   43.4025216 -59516140413 7 6 1    12 8 5 1      C-13-H3C(O)CH3
  177472.0323  0.1214 -6.5931 3  950.4590936  595161404583820 1    583722 1      C-13-H3C(O)CH3
  177473.3425  0.0027 -5.7101 3   51.4341296  59516140418 018 0    17 017 0      C-13-H3C(O)CH3
  177473.3425  0.0027 -3.8677 3   51.4341296  59516140418 118 0    17 017 0      C-13-H3C(O)CH3
  177473.3887  0.0027 -3.8677 3   51.4341296 -59516140418 018 0    17 117 0      C-13-H3C(O)CH3
  177473.3887  0.0027 -5.7101 3   51.4341296 -59516140418 118 0    17 117 0      C-13-H3C(O)CH3
  177485.4285  0.1274 -6.3234 3  860.7603888  595161404553719 2    553619 2      C-13-H3C(O)CH3
  177489.3061  0.0064 -6.1089 3  150.8455392  595161404241213 0    231310 0      C-13-H3C(O)CH3
  177491.7552  0.0140 -7.3021 3   51.4553216  5951614041312 1 2    13 9 4 2      C-13-H3C(O)CH3
  177512.0038  0.0202 -6.7075 3   94.5674148  5951614041814 4 4    1811 7 4      C-13-H3C(O)CH3
  177519.7285  0.0134 -7.2525 3   58.0389116  5951614041412 3 3    14 9 6 3      C-13-H3C(O)CH3
  177565.4973  0.0116 -6.1004 3  122.0956328  5951614042017 3 2    1918 1 2      C-13-H3C(O)CH3
  177573.1524  0.1959 -6.5121 3  950.4596936  595161404583820 2    583722 2      C-13-H3C(O)CH3
  177575.4964  0.0365 -5.6146 3  894.3541460  595161404573325 4    573226 4      C-13-H3C(O)CH3
  177577.7190  0.0360 -5.6146 3  894.3541460  595161404573325 3    573226 3      C-13-H3C(O)CH3
  177583.2477  0.1058 -6.2501 3  860.7536888  595161404553719 1    553619 1      C-13-H3C(O)CH3
  177585.1730  0.0356 -5.3136 3  894.3500920  595161404573325 2    573226 2      C-13-H3C(O)CH3
  177591.3712  0.0353 -5.3136 3  894.3497920  595161404573325 1    573226 1      C-13-H3C(O)CH3
  177600.8847  0.0344 -5.3137 3  894.3455920  595161404573325 0    573226 0      C-13-H3C(O)CH3
  177630.0965  0.0019 -5.7923 3   25.2832 84  59516140410 7 3 4     9 6 3 4      C-13-H3C(O)CH3
  177650.7881  0.0073 -6.4032 3   65.1421248  5951614041512 4 0    15 9 7 0      C-13-H3C(O)CH3
  177650.9598  0.0060 -4.9840 3   43.4429108  59516140413 7 6 4    12 8 5 4      C-13-H3C(O)CH3
  177662.9885  0.0022 -5.9975 3   25.2218168  59516140410 7 3 1     9 6 3 1      C-13-H3C(O)CH3
  177673.8607  0.0023 -6.0954 3   25.2195168  59516140410 7 3 2     9 6 3 2      C-13-H3C(O)CH3
  177674.2746  0.2424 -5.8708 3 1202.3703A64  595161404663828 0    663729 0      C-13-H3C(O)CH3
  177720.5413  0.0126 -7.3287 3   58.0389116  5951614041412 2 3    14 9 6 3      C-13-H3C(O)CH3
  177721.0118  0.0125 -6.0998 3  122.0806328  5951614042017 3 1    1918 1 1      C-13-H3C(O)CH3
  177728.9490  0.0129 -6.1006 3  122.0122328  5951614042017 4 1    1918 2 1      C-13-H3C(O)CH3
  177743.0228  0.0117 -6.0341 3   81.1327140  5951614041712 5 3    1613 3 3      C-13-H3C(O)CH3
  177755.3397  0.0176 -5.2877 3  332.8988260  5951614043230 3 4    3229 4 4      C-13-H3C(O)CH3
  177756.2209  0.1049 -6.3291 3  801.5876856  595161404533617 1    533519 1      C-13-H3C(O)CH3
  177761.9071  0.0081 -6.9227 3  333.0898292  595161404361521 4    351818 4      C-13-H3C(O)CH3
  177762.0648  0.0080 -6.9227 3  333.0898292  595161404361521 3    351818 3      C-13-H3C(O)CH3
  177762.6002  0.0081 -6.6217 3  333.1175584  595161404361521 1    351818 1      C-13-H3C(O)CH3
  177780.2054  0.0040 -4.6415 3  468.8159680  595161404422022 0    421923 0      C-13-H3C(O)CH3
  177784.2015  0.0040 -4.6415 3  468.8159680  595161404422122 0    422023 0      C-13-H3C(O)CH3
  177792.2103  0.0129 -6.0996 3  122.0237328  5951614042017 4 2    1918 2 2      C-13-H3C(O)CH3
  177797.8860  0.0050 -4.6413 3  468.7892680  595161404422022 2    421923 2      C-13-H3C(O)CH3
  177802.1586  0.0050 -4.6413 3  468.7892680  595161404422122 2    422023 2      C-13-H3C(O)CH3
  177809.7078  0.0081 -6.6215 3  333.1160584  595161404361621 1    351718 1      C-13-H3C(O)CH3
  177810.0294  0.0081 -6.6190 3  333.1134584  595161404361521 2    351818 2      C-13-H3C(O)CH3
  177810.3731  0.0070 -6.6191 3  333.1411584  595161404361521 0    351818 0      C-13-H3C(O)CH3
  177810.5673  0.0081 -6.9224 3  333.0882292  595161404361621 4    351718 4      C-13-H3C(O)CH3
  177810.8480  0.0080 -6.9224 3  333.0882292  595161404361621 3    351718 3      C-13-H3C(O)CH3
  177811.1283  0.0043 -4.6413 3  468.7917680  595161404422022 1    421923 1      C-13-H3C(O)CH3
  177815.2651  0.0043 -4.6413 3  468.7917680  595161404422122 1    422023 1      C-13-H3C(O)CH3
  177828.8917  0.0052 -4.9421 3  468.7650340  595161404422022 3    421923 3      C-13-H3C(O)CH3
  177828.9469  0.0052 -4.9421 3  468.7650340  595161404422022 4    421923 4      C-13-H3C(O)CH3
  177833.3164  0.0052 -4.9421 3  468.7650340  595161404422122 3    422023 3      C-13-H3C(O)CH3
  177833.3559  0.0052 -4.9421 3  468.7650340  595161404422122 4    422023 4      C-13-H3C(O)CH3
  177857.5048  0.0070 -6.6188 3  333.1395584  595161404361621 0    351718 0      C-13-H3C(O)CH3
  177858.8204  0.0081 -6.6187 3  333.1118584  595161404361621 2    351718 2      C-13-H3C(O)CH3
  177860.4773  0.0062 -6.0594 3  142.6621376  595161404231211 0    2215 8 0      C-13-H3C(O)CH3
  177920.3077  0.0699 -7.4180 3  719.7795808  595161404503516 1    503416 1      C-13-H3C(O)CH3
  177927.0939  0.0141 -4.9864 3  332.9644520  5951614043230 3 2    3229 4 2      C-13-H3C(O)CH3
  177937.4248  0.0153 -6.3988 3  122.0909164  5951614042017 3 4    1918 1 4      C-13-H3C(O)CH3
  177943.3264  0.0136 -6.3996 3  122.0224164  5951614042017 4 3    1918 1 3      C-13-H3C(O)CH3
  177946.8484  0.0155 -5.2869 3  332.9014260  5951614043230 3 3    3229 4 3      C-13-H3C(O)CH3
  177981.6294  0.0141 -5.9906 3   81.1247140  5951614041712 5 3    1613 4 3      C-13-H3C(O)CH3
  178025.1098  0.0153 -4.9860 3  332.9474520  5951614043230 3 1    3229 4 1      C-13-H3C(O)CH3
  178034.8675  0.0069 -6.0704 3  142.6580376  595161404231211 2    2215 8 2      C-13-H3C(O)CH3
  178049.3557  0.0154 -5.2867 3  332.9205260  5951614043230 2 3    3229 3 3      C-13-H3C(O)CH3
  178057.2914  0.1476 -6.4711 3  801.5898856  595161404533617 2    533519 2      C-13-H3C(O)CH3
  178066.9730  0.0031 -4.4323 3   23.3617 76 -595161404 9 9 1 4     8 8 1 4      C-13-H3C(O)CH3
  178107.5517  0.0119 -5.1116 3  421.4254300  5951614043731 7 4    3730 8 4      C-13-H3C(O)CH3
  178110.1290  0.0471 -5.2895 3  860.7212888  595161404553718 0    553619 0      C-13-H3C(O)CH3
  178119.9669  0.0139 -4.9856 3  332.9669520  5951614043230 2 2    3229 3 2      C-13-H3C(O)CH3
  178131.4345  0.0117 -5.1114 3  421.4393300  5951614043731 7 3    3730 8 3      C-13-H3C(O)CH3
  178152.6299  0.0116 -5.1286 3  502.5846332  595161404413210 3    413111 3      C-13-H3C(O)CH3
  178161.9717  0.0131 -6.3980 3  122.0189164  5951614042017 3 3    1918 2 3      C-13-H3C(O)CH3
  178162.1955  0.0105 -6.7413 3   72.7706132  5951614041612 5 4    16 9 8 4      C-13-H3C(O)CH3
  178166.7362  0.0136 -6.3988 3  121.9507164  5951614042017 4 4    1918 2 4      C-13-H3C(O)CH3
  178168.7716  0.0742 -5.5421 3 1014.8122968  595161404603922 0    603823 0      C-13-H3C(O)CH3
  178176.3724  0.0097 -6.7471 3   65.1781248  5951614041512 3 1    15 9 7 1      C-13-H3C(O)CH3
  178199.4972  0.0143 -4.9857 3  333.0129520  5951614043230 2 0    3229 3 0      C-13-H3C(O)CH3
  178199.4972  0.0143 -4.9857 3  333.0129520  5951614043230 3 0    3229 4 0      C-13-H3C(O)CH3
  178218.9873  0.0109 -4.8274 3  502.6118664  5951614044132 9 2    413110 2      C-13-H3C(O)CH3
  178219.7073  0.0028 -4.7411 3  270.1623268 -595161404331321 3    331222 3      C-13-H3C(O)CH3
  178219.7073  0.0030 -4.7411 3  270.1623268 -595161404331321 4    331222 4      C-13-H3C(O)CH3
  178219.7073  0.0030 -4.7411 3  270.1623268 -595161404331221 4    331122 4      C-13-H3C(O)CH3
  178219.7073  0.0028 -4.7411 3  270.1623268 -595161404331221 3    331122 3      C-13-H3C(O)CH3
  178225.8693  0.0137 -5.1282 3  502.6099332  5951614044132 9 4    413110 4      C-13-H3C(O)CH3
  178228.3637  0.0027 -4.4318 3   23.4330 76  595161404 9 9 0 3     8 8 0 3      C-13-H3C(O)CH3
  178231.5566  0.0028 -4.4318 3   23.4276 76  595161404 9 9 1 3     8 8 1 3      C-13-H3C(O)CH3
  178236.2214  0.0099 -4.8104 3  421.4694600  5951614043731 7 2    3730 8 2      C-13-H3C(O)CH3
  178241.2316  0.0155 -5.2859 3  332.9230260  5951614043230 2 4    3229 3 4      C-13-H3C(O)CH3
  178241.5209  0.0105 -4.8103 3  421.4506600  5951614043731 7 1    3730 8 1      C-13-H3C(O)CH3
  178245.8866  0.0114 -5.1281 3  502.5594332  595161404413210 4    413111 4      C-13-H3C(O)CH3
  178246.0512  0.0068 -6.3608 3  142.6588188  595161404231211 3    2215 8 3      C-13-H3C(O)CH3
  178253.9163  0.0102 -4.8272 3  502.5706664  595161404413210 1    413111 1      C-13-H3C(O)CH3
  178260.2037  0.0104 -4.8102 3  421.4831600  5951614043731 6 2    3730 7 2      C-13-H3C(O)CH3
  178269.6392  0.0028 -4.4397 3  270.1801536 -595161404331221 2    331122 2      C-13-H3C(O)CH3
  178269.6392  0.0028 -4.4397 3  270.1801536 -595161404331321 2    331222 2      C-13-H3C(O)CH3
  178274.7601  0.0094 -6.7468 3   65.1763248  5951614041512 3 2    15 9 7 2      C-13-H3C(O)CH3
  178278.8309  0.0028 -4.4398 3  270.1817536 -595161404331221 1    331122 1      C-13-H3C(O)CH3
  178278.8309  0.0028 -4.4398 3  270.1817536 -595161404331321 1    331222 1      C-13-H3C(O)CH3
  178285.7109  0.0118 -5.1110 3  421.4479300  5951614043731 6 3    3730 7 3      C-13-H3C(O)CH3
  178301.4043  0.0881 -6.5940 3  860.7782444  595161404553719 3    553619 3      C-13-H3C(O)CH3
  178308.5964  0.0130 -5.1108 3  421.4617300  5951614043731 6 4    3730 7 4      C-13-H3C(O)CH3
  178312.9886  0.0101 -4.8271 3  502.5867664  595161404413210 2    413111 2      C-13-H3C(O)CH3
  178320.5388  0.0120 -5.1281 3  502.5848332  5951614044132 9 3    413110 3      C-13-H3C(O)CH3
  178320.8305  0.0141 -4.9850 3  332.9690520  5951614043230 2 1    3229 3 1      C-13-H3C(O)CH3
  178321.7833  0.0101 -4.8272 3  502.5976664  5951614044132 9 0    413110 0      C-13-H3C(O)CH3
  178322.0381  0.0101 -4.8271 3  502.5976664  595161404413210 0    413111 0      C-13-H3C(O)CH3
  178323.7617  0.3116 -6.6588 3  950.4805468  595161404583820 4    583722 4      C-13-H3C(O)CH3
  178327.8043  0.0111 -4.8270 3  502.5959664  5951614044132 9 1    413110 1      C-13-H3C(O)CH3
  178328.5512  0.0026 -4.4394 3  270.1995536 -595161404331221 0    331122 0      C-13-H3C(O)CH3
  178328.5512  0.0026 -4.4394 3  270.1995536 -595161404331321 0    331222 0      C-13-H3C(O)CH3
  178337.3673  0.0074 -6.0756 3  142.6542376  595161404231211 1    2215 8 1      C-13-H3C(O)CH3
  178349.8884  0.0032 -4.1297 3   23.3468152 -595161404 9 9 1 1     8 8 1 1      C-13-H3C(O)CH3
  178356.6038  0.0711 -5.5564 3 1014.8383968  595161404603922 1    603823 1      C-13-H3C(O)CH3
  178363.8992  0.0726 -5.5590 3 1014.8381968  595161404603922 2    603823 2      C-13-H3C(O)CH3
  178372.0345  0.0103 -4.8101 3  421.4944600  5951614043731 6 0    3730 7 0      C-13-H3C(O)CH3
  178372.0372  0.0103 -4.8101 3  421.4944600  5951614043731 7 0    3730 8 0      C-13-H3C(O)CH3
  178378.6275  0.0654 -5.5451 3 1027.8761984  595161404613626 0    613527 0      C-13-H3C(O)CH3
  178382.9875  0.0030 -4.1295 3   23.3540152 -595161404 9 9 1 2     8 8 1 2      C-13-H3C(O)CH3
  178386.4319  0.0519 -5.5450 3 1027.8858984  595161404613626 2    613527 2      C-13-H3C(O)CH3
  178393.7060  0.0022 -4.4307 3   23.4990 76 -595161404 9 9 0 4     8 8 0 4      C-13-H3C(O)CH3
  178398.9744  0.0638 -5.5449 3 1027.8841984  595161404613626 1    613527 1      C-13-H3C(O)CH3
  178406.3372  0.0471 -5.8459 3 1027.8939492  595161404613626 4    613527 4      C-13-H3C(O)CH3
  178410.2106  0.0468 -5.8459 3 1027.8939492  595161404613626 3    613527 3      C-13-H3C(O)CH3
  178419.8506  0.0106 -4.8096 3  421.4730600  5951614043731 6 1    3730 7 1      C-13-H3C(O)CH3
  178433.0320  0.0584 -5.3388 3  860.7536888  595161404553718 1    553619 1      C-13-H3C(O)CH3
  178441.2082  0.1450 -5.8310 3 1182.0877A48  595161404654125 0    654026 0      C-13-H3C(O)CH3
  178460.8008  0.0798 -5.8812 3 1014.8620484  595161404603922 4    603823 4      C-13-H3C(O)CH3
  178511.8531  0.0027 -4.1289 3   23.4181152 -595161404 9 9 0 1     8 8 0 1      C-13-H3C(O)CH3
  178526.3181  0.0580 -5.3303 3  860.7603888  595161404553718 2    553619 2      C-13-H3C(O)CH3
  178548.0934  0.0029 -4.1287 3   23.4198152 -595161404 9 9 0 2     8 8 0 2      C-13-H3C(O)CH3
  178570.4207  0.0864 -5.6342 3  860.7782444  595161404553718 3    553619 3      C-13-H3C(O)CH3
  178661.5601  0.0030 -4.1280 3   23.3392152 -595161404 9 9 1 0     8 8 0 0      C-13-H3C(O)CH3
  178668.8945  0.1715 -5.8305 3 1182.1073A48  595161404654125 2    654026 2      C-13-H3C(O)CH3
  178669.7492  0.0030 -4.1279 3   23.3390152 -595161404 9 9 0 0     8 8 1 0      C-13-H3C(O)CH3
  178683.0209  0.0561 -5.6065 3  860.8010444  595161404553718 4    553619 4      C-13-H3C(O)CH3
  178701.3082  0.1014 -5.8415 3 1014.8669484  595161404603922 3    603823 3      C-13-H3C(O)CH3
  178715.2312  0.0131 -6.0340 3   81.0890280  5951614041712 5 2    1613 4 2      C-13-H3C(O)CH3
  178715.3009  0.0246 -5.0714 3  719.7474808  595161404503515 0    503416 0      C-13-H3C(O)CH3
  178731.2422  0.1282 -5.8305 3 1182.1084A48  595161404654125 1    654026 1      C-13-H3C(O)CH3
  178738.1425  0.0105 -6.4022 3  142.6427188  595161404231211 4    2215 8 4      C-13-H3C(O)CH3
  178738.2861  0.1029 -6.7837 3  719.7958404  595161404503516 3    503416 3      C-13-H3C(O)CH3
  178758.7615  0.5594 -6.2651 3 1410.6058B44  595161404714526 0    714427 0      C-13-H3C(O)CH3
  178762.4873  0.0128 -7.0574 3   65.2119124  5951614041512 3 4    15 9 7 4      C-13-H3C(O)CH3
  178776.6241  0.0256 -5.0731 3  719.7795808  595161404503515 1    503416 1      C-13-H3C(O)CH3
  178782.8100  0.1483 -5.8704 3 1208.7887A64  595161404664027 0    663928 0      C-13-H3C(O)CH3
  178790.5901  0.0201 -5.3725 3  719.8287404  595161404503515 4    503416 4      C-13-H3C(O)CH3
  178791.3769  0.0207 -5.0723 3  719.7942808  595161404503515 2    503416 2      C-13-H3C(O)CH3
  178813.3238  0.2253 -6.8160 3  922.0491460  595161404573820 4    573720 4      C-13-H3C(O)CH3
  178834.0074  0.0200 -6.5845 3  115.8185164  5951614042015 6 4    2012 8 4      C-13-H3C(O)CH3
  178856.3888  0.0244 -5.0707 3  719.7421808  595161404503516 0    503417 0      C-13-H3C(O)CH3
  178867.7058  0.0201 -5.4237 3  317.8649252  5951614043130 2 4    3129 3 4      C-13-H3C(O)CH3
  178871.8775  0.1210 -5.8701 3 1208.8017A64  595161404664027 2    663928 2      C-13-H3C(O)CH3
  178912.3723  0.0093 -6.6862 3   57.9641232  5951614041412 3 0    14 9 6 0      C-13-H3C(O)CH3
  178919.9609  0.0206 -5.3888 3  719.7958404  595161404503515 3    503416 3      C-13-H3C(O)CH3
  178928.5438  0.0541 -5.5537 3  860.7929452  595161404563125 3    563026 3      C-13-H3C(O)CH3
  178929.4922  0.0542 -5.5537 3  860.7929452  595161404563125 4    563026 4      C-13-H3C(O)CH3
  178934.7774  0.0247 -5.0725 3  719.7457808  595161404503516 1    503417 1      C-13-H3C(O)CH3
  178935.4164  0.1345 -5.8699 3 1208.7993A64  595161404664027 1    663928 1      C-13-H3C(O)CH3
  178939.9294  0.1296 -6.1319 3 1182.1278524  595161404654125 4    654026 4      C-13-H3C(O)CH3
  178969.2808  0.0031 -4.7316 3  250.3249260 -595161404321121 4    321022 4      C-13-H3C(O)CH3
  178969.2808  0.0027 -4.7316 3  250.3249260 -595161404321221 3    321122 3      C-13-H3C(O)CH3
  178969.2808  0.0027 -4.7316 3  250.3249260 -595161404321121 3    321022 3      C-13-H3C(O)CH3
  178969.2808  0.0031 -4.7316 3  250.3249260 -595161404321221 4    321122 4      C-13-H3C(O)CH3
  178976.7021  0.1749 -6.1303 3 1182.1285524  595161404654125 3    654026 3      C-13-H3C(O)CH3
  178995.7315  1.0491 -6.9286 3 1767.0573C88  595161404804733 1    804634 1      C-13-H3C(O)CH3
  178999.3190  0.1778 -5.9421 3 1247.8463A80  595161404674127 0    674028 0      C-13-H3C(O)CH3
  179014.9883  1.2899 -7.2296 3 1767.0602644  595161404804733 4    804634 4      C-13-H3C(O)CH3
  179016.2664  1.2912 -7.2296 3 1767.0602644  595161404804733 3    804634 3      C-13-H3C(O)CH3
  179021.0193  0.0549 -5.2524 3  860.7907904  595161404563125 2    563026 2      C-13-H3C(O)CH3
  179022.4836  0.0725 -6.1706 3 1208.8124532  595161404664027 4    663928 4      C-13-H3C(O)CH3
  179026.9171  0.0250 -5.3464 3  738.4075420  595161404522824 3    522725 3      C-13-H3C(O)CH3
  179027.4093  0.0251 -5.3464 3  738.4075420  595161404522824 4    522725 4      C-13-H3C(O)CH3
  179028.3358  0.0357 -5.2523 3  860.7906904  595161404563125 1    563026 1      C-13-H3C(O)CH3
  179028.9483  0.0827 -6.1706 3 1208.8125532  595161404664027 3    663928 3      C-13-H3C(O)CH3
  179037.2960  0.7253 -6.2640 3 1410.6174B44  595161404714526 2    714427 2      C-13-H3C(O)CH3
  179037.7766  0.0027 -4.4301 3  250.3388520 -595161404321221 2    321122 2      C-13-H3C(O)CH3
  179037.7766  0.0027 -4.4301 3  250.3388520 -595161404321121 2    321022 2      C-13-H3C(O)CH3
  179038.5137  0.0164 -5.1224 3  317.9358504  5951614043130 2 2    3129 3 2      C-13-H3C(O)CH3
  179046.2254  0.0027 -4.4302 3  250.3403520 -595161404321221 1    321122 1      C-13-H3C(O)CH3
  179046.2254  0.0027 -4.4302 3  250.3403520 -595161404321121 1    321022 1      C-13-H3C(O)CH3
  179049.7753  0.0245 -5.0454 3  738.4120840  595161404522824 2    522725 2      C-13-H3C(O)CH3
  179053.7494  0.0269 -5.0713 3  719.7508808  595161404503516 2    503417 2      C-13-H3C(O)CH3
  179063.9365  0.0156 -5.0453 3  738.4131840  595161404522824 1    522725 1      C-13-H3C(O)CH3
  179064.8434  0.0275 -5.3883 3  719.7849404  595161404503516 3    503417 3      C-13-H3C(O)CH3
  179086.0740  0.0153 -5.0454 3  738.4176840  595161404522824 0    522725 0      C-13-H3C(O)CH3
  179104.1580  0.0177 -5.4228 3  317.8671252  5951614043130 2 3    3129 3 3      C-13-H3C(O)CH3
  179109.5056  0.0131 -6.0972 3   81.0781280  5951614041712 5 1    1613 4 1      C-13-H3C(O)CH3
  179114.5298  0.0025 -4.4297 3  250.3541520 -595161404321221 0    321122 0      C-13-H3C(O)CH3
  179114.5298  0.0025 -4.4297 3  250.3541520 -595161404321121 0    321022 0      C-13-H3C(O)CH3
  179118.8731  0.0365 -5.2520 3  860.7883904  595161404563125 0    563026 0      C-13-H3C(O)CH3
  179122.7519  0.1648 -5.9416 3 1247.8601A80  595161404674127 2    674028 2      C-13-H3C(O)CH3
  179122.9527  0.2019 -7.2013 3  801.5967428  595161404533617 4    533519 4      C-13-H3C(O)CH3
  179163.1669  0.0180 -5.1219 3  317.9204504  5951614043130 2 1    3129 3 1      C-13-H3C(O)CH3
  179185.8539  0.0176 -5.4226 3  317.8887252  5951614043130 1 3    3129 2 3      C-13-H3C(O)CH3
  179193.3620  0.0305 -5.3709 3  719.7521404  595161404503516 4    503417 4      C-13-H3C(O)CH3
  179209.7922  0.1588 -5.9413 3 1247.8583A80  595161404674127 1    674028 1      C-13-H3C(O)CH3
  179215.0034  0.0099 -5.7330 3  106.2839312  5951614041915 5 0    1816 2 0      C-13-H3C(O)CH3
  179246.5182  0.1117 -6.7811 3  719.7849404  595161404503515 3    503417 3      C-13-H3C(O)CH3
  179251.4592  0.0099 -5.7328 3  106.2839312  5951614041915 4 0    1816 3 0      C-13-H3C(O)CH3
  179266.3571  0.0020 -4.6957 3   41.8840108 -59516140413 6 7 3    12 7 6 3      C-13-H3C(O)CH3
  179276.6566  0.0160 -5.1215 3  317.9378504  5951614043130 1 2    3129 2 2      C-13-H3C(O)CH3
  179286.6167  0.0439 -5.2839 3  860.6756888  595161404553719 0    553620 0      C-13-H3C(O)CH3
  179295.5906  0.0023 -4.6955 3   41.8833108 -59516140413 6 7 4    12 7 6 4      C-13-H3C(O)CH3
  179299.4612  0.0447 -5.3349 3  860.6963888  595161404553719 1    553620 1      C-13-H3C(O)CH3
  179306.9129  0.0022 -4.3960 3   41.8347216 -59516140413 6 7 2    12 7 6 2      C-13-H3C(O)CH3
  179306.9840  0.1395 -6.2917 3  922.0093920  595161404573820 2    573720 2      C-13-H3C(O)CH3
  179314.1437  0.5444 -6.2631 3 1410.6174B44  595161404714526 1    714427 1      C-13-H3C(O)CH3
  179323.0780  1.0802 -6.9276 3 1767.0706C88  595161404804733 0    804634 0      C-13-H3C(O)CH3
  179330.1340  0.1064 -6.2420 3 1247.8721540  595161404674127 4    674028 4      C-13-H3C(O)CH3
  179336.6777  0.0165 -5.1217 3  317.9913504  5951614043130 1 0    3129 3 0      C-13-H3C(O)CH3
  179336.6777  0.0165 -5.1217 3  317.9913504  5951614043130 2 0    3129 2 0      C-13-H3C(O)CH3
  179337.8812  0.1232 -6.2419 3 1247.8722540  595161404674127 3    674028 3      C-13-H3C(O)CH3
  179337.9170  0.0022 -4.3950 3   41.8360216 -59516140413 6 7 1    12 7 6 1      C-13-H3C(O)CH3
  179342.8646  1.3881 -6.9275 3 1767.0735C88  595161404804733 2    804634 2      C-13-H3C(O)CH3
  179346.0096  0.0037 -4.6039 3  443.7580664  595161404411922 0    411823 0      C-13-H3C(O)CH3
  179347.3884  0.0037 -4.6039 3  443.7580664  595161404412022 0    411923 0      C-13-H3C(O)CH3
  179347.9334  0.0091 -5.7315 3  106.3104312  5951614041915 4 2    1816 2 2      C-13-H3C(O)CH3
  179347.9812  0.0139 -5.1851 3  570.3303356  595161404443311 4    443212 4      C-13-H3C(O)CH3
  179349.3653  0.0122 -5.1851 3  570.3021356  595161404443312 3    443212 3      C-13-H3C(O)CH3
  179349.4462  0.0512 -5.3266 3  860.6981888  595161404553719 2    553620 2      C-13-H3C(O)CH3
  179357.7857  0.0117 -4.8841 3  570.3181712  595161404443311 2    443212 2      C-13-H3C(O)CH3
  179358.6899  0.1202 -6.2882 3  922.0055920  595161404573820 1    573720 1      C-13-H3C(O)CH3
  179361.7719  0.0045 -4.6037 3  443.7302664  595161404411922 2    411823 2      C-13-H3C(O)CH3
  179363.2520  0.0045 -4.6037 3  443.7302664  595161404412022 2    411923 2      C-13-H3C(O)CH3
  179363.7753  0.0021 -4.3964 3   41.7872216 -59516140413 6 7 0    12 7 6 0      C-13-H3C(O)CH3
  179374.1508  0.0041 -4.6037 3  443.7326664  595161404411922 1    411823 1      C-13-H3C(O)CH3
  179375.5782  0.0041 -4.6037 3  443.7326664  595161404412022 1    411923 1      C-13-H3C(O)CH3
  179379.0166  0.0116 -7.0347 3   58.0009232  5951614041412 2 1    14 9 6 1      C-13-H3C(O)CH3
  179389.9913  0.0047 -4.9045 3  443.7047332  595161404411922 3    411823 3      C-13-H3C(O)CH3
  179390.0186  0.0047 -4.9045 3  443.7046332  595161404411922 4    411823 4      C-13-H3C(O)CH3
  179390.6141  0.0241 -7.3729 3   91.9006148  5951614041813 6 4    1714 3 4      C-13-H3C(O)CH3
  179391.5243  0.0047 -4.9045 3  443.7047332  595161404412022 3    411923 3      C-13-H3C(O)CH3
  179391.5453  0.0047 -4.9045 3  443.7046332  595161404412022 4    411923 4      C-13-H3C(O)CH3
  179423.2018  0.0175 -5.4217 3  317.8907252  5951614043130 1 4    3129 2 4      C-13-H3C(O)CH3
  179428.3699  0.0119 -4.8838 3  570.3008712  595161404443311 1    443212 1      C-13-H3C(O)CH3
  179429.4953  0.0118 -4.8838 3  570.2726712  595161404443312 1    443213 1      C-13-H3C(O)CH3
  179429.5789  0.0083 -6.4061 3   72.7394264  5951614041612 5 1    16 9 8 1      C-13-H3C(O)CH3
  179437.8546  0.0111 -4.8839 3  570.2886712  595161404443311 0    443212 0      C-13-H3C(O)CH3
  179440.4770  0.0111 -4.8839 3  570.2885712  595161404443312 0    443213 0      C-13-H3C(O)CH3
  179483.4493  0.0164 -5.1209 3  317.9441504  5951614043130 1 1    3129 2 1      C-13-H3C(O)CH3
  179510.2350  0.0133 -5.1845 3  570.2696356  595161404443312 4    443213 4      C-13-H3C(O)CH3
  179510.2490  0.0129 -5.1846 3  570.2979356  595161404443311 3    443213 3      C-13-H3C(O)CH3
  179512.3571  0.0111 -7.0295 3   58.0002232  5951614041412 2 2    14 9 6 2      C-13-H3C(O)CH3
  179519.7012  0.0116 -4.8836 3  570.2857712  595161404443312 2    443213 2      C-13-H3C(O)CH3
  179525.4873  0.0678 -5.6029 3  860.7108444  595161404553719 4    553620 4      C-13-H3C(O)CH3
  179543.5896  0.0098 -5.7305 3  106.3001312  5951614041915 4 1    1816 2 1      C-13-H3C(O)CH3
  179554.2860  0.0116 -5.7521 3  177.3534204  5951614042517 8 3    251411 3      C-13-H3C(O)CH3
  179558.1566  0.0028 -4.7591 3   35.8939100 -59516140412 7 6 4    11 6 5 4      C-13-H3C(O)CH3
  179586.4724  0.6961 -6.5629 3 1410.6293572  595161404714526 4    714427 4      C-13-H3C(O)CH3
  179593.1333  0.6670 -6.5632 3 1410.6291572  595161404714526 3    714427 3      C-13-H3C(O)CH3
  179602.0642  0.0142 -5.2672 3  642.7256380  595161404473413 4    473314 4      C-13-H3C(O)CH3
  179602.6507  0.0196 -5.0428 3  738.4148840  595161404522924 2    522825 2      C-13-H3C(O)CH3
  179603.0245  0.0206 -5.3437 3  738.4104420  595161404522924 4    522825 4      C-13-H3C(O)CH3
  179603.5071  0.0204 -5.3437 3  738.4105420  595161404522924 3    522825 3      C-13-H3C(O)CH3
  179612.3047  0.0139 -5.0429 3  738.4202840  595161404522924 0    522825 0      C-13-H3C(O)CH3
  179612.6498  0.0150 -5.0428 3  738.4159840  595161404522924 1    522825 1      C-13-H3C(O)CH3
  179617.5167  0.0139 -4.9662 3  642.7010760  595161404473413 2    473314 2      C-13-H3C(O)CH3
  179618.3443  0.0035 -4.7583 3   35.8926100  59516140412 7 6 3    11 6 5 3      C-13-H3C(O)CH3
  179622.2590  0.0061 -4.8181 3  596.5334760  595161404472423 0    472324 0      C-13-H3C(O)CH3
  179632.0005  0.0096 -4.8179 3  596.5161760  595161404472423 2    472324 2      C-13-H3C(O)CH3
  179638.3605  0.0610 -5.6292 3  860.7336444  595161404553719 3    553620 3      C-13-H3C(O)CH3
  179644.3817  0.0032 -4.7270 3  231.0727252 -595161404311021 4    31 922 4      C-13-H3C(O)CH3
  179644.3817  0.0032 -4.7270 3  231.0727252 -595161404311121 4    311022 4      C-13-H3C(O)CH3
  179644.3817  0.0027 -4.7270 3  231.0727252 -595161404311121 3    311022 3      C-13-H3C(O)CH3
  179644.3817  0.0027 -4.7270 3  231.0727252 -595161404311021 3    31 922 3      C-13-H3C(O)CH3
  179645.8305  0.0066 -4.8178 3  596.5182760  595161404472423 1    472324 1      C-13-H3C(O)CH3
  179645.9611  0.0157 -4.9660 3  642.6840760  595161404473413 1    473314 1      C-13-H3C(O)CH3
  179651.7502  0.0157 -4.9660 3  642.6597760  595161404473413 0    473314 0      C-13-H3C(O)CH3
  179655.5525  0.0101 -5.1187 3  596.5009380  595161404472423 3    472324 3      C-13-H3C(O)CH3
  179655.7133  0.0102 -5.1187 3  596.5008380  595161404472423 4    472324 4      C-13-H3C(O)CH3
  179658.0620  0.0096 -5.7301 3  106.2378312  5951614041915 5 2    1816 3 2      C-13-H3C(O)CH3
  179659.7328  0.0128 -6.0301 3  106.3265156  5951614041915 4 4    1816 2 4      C-13-H3C(O)CH3
  179673.0812  0.0157 -4.9659 3  642.6589760  595161404473414 0    473315 0      C-13-H3C(O)CH3
  179676.3220  0.0061 -4.8178 3  596.5336760  595161404472523 0    472424 0      C-13-H3C(O)CH3
  179677.1440  0.0098 -5.7306 3  106.2249312  5951614041915 5 1    1816 3 1      C-13-H3C(O)CH3
  179677.6375  0.0133 -5.2674 3  642.6948380  595161404473413 3    473314 3      C-13-H3C(O)CH3
  179689.4157  0.0093 -4.8176 3  596.5163760  595161404472523 2    472424 2      C-13-H3C(O)CH3
  179699.6766  0.0127 -7.3735 3  534.7055372  595161404461828 4    452125 4      C-13-H3C(O)CH3
  179699.7449  0.0127 -7.3735 3  534.7055372  595161404461928 4    452025 4      C-13-H3C(O)CH3
  179699.7525  0.0126 -7.3736 3  534.7055372  595161404461828 3    452125 3      C-13-H3C(O)CH3
  179699.8212  0.0126 -7.3736 3  534.7055372  595161404461928 3    452025 3      C-13-H3C(O)CH3
  179702.1824  0.0067 -4.8176 3  596.5184760  595161404472523 1    472424 1      C-13-H3C(O)CH3
  179715.4165  0.0098 -5.1184 3  596.5011380  595161404472523 3    472424 3      C-13-H3C(O)CH3
  179715.4232  0.0098 -5.1184 3  596.5011380  595161404472523 4    472424 4      C-13-H3C(O)CH3
  179722.4247  0.0165 -4.9657 3  642.6532760  595161404473414 1    473315 1      C-13-H3C(O)CH3
  179733.2194  0.0027 -4.4254 3  231.0818504 -595161404311121 2    311022 2      C-13-H3C(O)CH3
  179733.2194  0.0027 -4.4254 3  231.0818504 -595161404311021 2    31 922 2      C-13-H3C(O)CH3
  179738.2974  0.0121 -7.0731 3  534.7284744  595161404461828 1    452125 1      C-13-H3C(O)CH3
  179738.3590  0.0121 -7.0731 3  534.7284744  595161404461928 1    452025 1      C-13-H3C(O)CH3
  179740.9758  0.0027 -4.4254 3  231.0831504 -595161404311121 1    311022 1      C-13-H3C(O)CH3
  179740.9758  0.0027 -4.4254 3  231.0831504 -595161404311021 1    31 922 1      C-13-H3C(O)CH3
  179744.8165  0.0086 -6.3976 3   72.7371264  5951614041612 5 2    16 9 8 2      C-13-H3C(O)CH3
  179755.1278  0.0129 -7.0712 3  534.7266744  595161404461828 2    452125 2      C-13-H3C(O)CH3
  179755.1913  0.0129 -7.0712 3  534.7266744  595161404461928 2    452025 2      C-13-H3C(O)CH3
  179764.9902  0.0032 -4.4570 3   35.8397200 -59516140412 7 6 1    11 6 5 1      C-13-H3C(O)CH3
  179784.2255  0.0131 -5.1321 3  403.8773292  5951614043631 6 4    3630 7 4      C-13-H3C(O)CH3
  179790.8887  0.0107 -6.0326 3  106.2512156  5951614041915 5 3    1816 3 3      C-13-H3C(O)CH3
  179791.0938  0.0796 -7.4090 3  719.7457808  595161404503515 1    503417 1      C-13-H3C(O)CH3
  179793.5617  0.0102 -7.0720 3  534.7494744  595161404461828 0    452125 0      C-13-H3C(O)CH3
  179793.6187  0.0102 -7.0720 3  534.7494744  595161404461928 0    452025 0      C-13-H3C(O)CH3
  179794.4148  0.0100 -5.4680 3  177.3594408  5951614042517 8 1    251411 1      C-13-H3C(O)CH3
  179819.6069  0.0161 -5.2670 3  642.6870380  595161404473414 3    473315 3      C-13-H3C(O)CH3
  179829.5906  0.0025 -4.4248 3  231.0922504 -595161404311021 0    31 922 0      C-13-H3C(O)CH3
  179829.5906  0.0025 -4.4248 3  231.0922504 -595161404311121 0    311022 0      C-13-H3C(O)CH3
  179832.1040  0.0613 -5.3854 3  921.9729920  595161404573819 0    573720 0      C-13-H3C(O)CH3
  179833.9935  0.0062 -6.5423 3   72.7709132  5951614041612 5 3    16 9 8 3      C-13-H3C(O)CH3
  179834.6865  0.0159 -4.9654 3  642.6624760  595161404473414 2    473315 2      C-13-H3C(O)CH3
  179840.6013  0.0037 -4.4570 3   35.8359200 -59516140412 7 6 2    11 6 5 2      C-13-H3C(O)CH3
  179852.6604  0.0124 -5.1317 3  403.8888292  5951614043631 6 3    3630 7 3      C-13-H3C(O)CH3
  179865.0183  0.0230 -5.6859 3  303.3341244  5951614043030 1 4    3029 2 4      C-13-H3C(O)CH3
  179887.2160  0.0116 -5.7967 3  177.3540204  5951614042517 8 4    251411 4      C-13-H3C(O)CH3
  179893.9794  0.0181 -5.2661 3  642.6562380  595161404473414 4    473315 4      C-13-H3C(O)CH3
  179907.3768  0.1172 -6.5863 3  860.7336444  595161404553718 3    553620 3      C-13-H3C(O)CH3
  179921.8821  0.0106 -4.8308 3  403.9267584  5951614043631 6 2    3630 7 2      C-13-H3C(O)CH3
  179956.0975  0.0113 -4.8306 3  403.9078584  5951614043631 6 1    3630 7 1      C-13-H3C(O)CH3
  179958.6841  0.0067 -6.3113 3   51.5078116  59516140414 8 6 4    13 9 4 4      C-13-H3C(O)CH3
  179970.4210  0.0103 -6.0311 3  106.2539156  5951614041915 4 3    1816 2 3      C-13-H3C(O)CH3
  179990.8317  0.0108 -4.8305 3  403.9381584  5951614043631 5 2    3630 6 2      C-13-H3C(O)CH3
  179993.7057  0.0124 -5.1314 3  403.9008292  5951614043631 5 3    3630 6 3      C-13-H3C(O)CH3
  179997.6543  0.0849 -7.0666 3  922.0325460  595161404573820 3    573720 3      C-13-H3C(O)CH3
  180016.1760  0.0032 -4.4563 3   35.7826200 -59516140412 7 6 0    11 6 5 0      C-13-H3C(O)CH3
  180026.4669  0.0152 -7.3760 3   58.0353116  5951614041412 2 4    14 9 6 4      C-13-H3C(O)CH3
  180032.5225  0.0191 -5.3846 3  303.4100488  5951614043030 1 2    3029 2 2      C-13-H3C(O)CH3
  180042.9667  2.2678 -7.1301 3 1870.6725D20  595161404825131 2    825032 2      C-13-H3C(O)CH3
  180047.2913  0.1207 -5.7951 3 1170.2702A48  595161404653927 0    653828 0      C-13-H3C(O)CH3
  180061.4727  0.0131 -5.1310 3  403.9122292  5951614043631 5 4    3630 6 4      C-13-H3C(O)CH3
  180064.9088  0.0095 -5.4587 3  177.3484408  5951614042517 8 2    251411 2      C-13-H3C(O)CH3
  180066.7571  0.1278 -7.0062 3 1014.8383968  595161404603921 1    603823 1      C-13-H3C(O)CH3
  180078.2521  0.0064 -6.6031 3   51.4553232  59516140414 8 6 2    13 9 4 2      C-13-H3C(O)CH3
  180095.8705  0.0109 -4.8304 3  403.9570584  5951614043631 5 0    3630 6 0      C-13-H3C(O)CH3
  180095.8708  0.0109 -4.8304 3  403.9570584  5951614043631 6 0    3630 7 0      C-13-H3C(O)CH3
  180095.9693  0.0165 -7.3252 3  411.4552632  595161404392119 1    382414 1      C-13-H3C(O)CH3
  180097.8465  0.0111 -6.0288 3  106.1787156  5951614041915 5 4    1816 3 4      C-13-H3C(O)CH3
  180099.0805  0.0893 -5.7949 3 1170.2827A48  595161404653927 2    653828 2      C-13-H3C(O)CH3
  180104.9473  0.2012 -6.9381 3 1014.8381968  595161404603921 2    603823 2      C-13-H3C(O)CH3
  180117.6374  0.0090 -5.4481 3  177.3542408  5951614042517 8 0    251411 0      C-13-H3C(O)CH3
  180140.8734  0.1122 -5.7947 3 1170.2800A48  595161404653927 1    653828 1      C-13-H3C(O)CH3
  180145.8099  0.0204 -5.6848 3  303.3364244  5951614043030 1 3    3029 2 3      C-13-H3C(O)CH3
  180149.2454  0.1241 -6.2377 3  860.6963888  595161404553718 1    553620 1      C-13-H3C(O)CH3
  180151.3343  0.0047 -5.8171 3   85.3914148  5951614041810 9 4    1711 6 4      C-13-H3C(O)CH3
  180166.2144  0.0109 -4.8299 3  403.9312584  5951614043631 5 1    3630 6 1      C-13-H3C(O)CH3
  180166.3608  1.8257 -7.1295 3 1870.6712D20  595161404825131 0    825032 0      C-13-H3C(O)CH3
  180169.1609  0.0144 -6.3005 3  115.8021328  5951614042015 6 1    2012 8 1      C-13-H3C(O)CH3
  180180.6298  0.0803 -5.4423 3  922.0055920  595161404573819 1    573720 1      C-13-H3C(O)CH3
  180181.2809  0.0058 -6.4854 3   51.4578232  59516140414 8 6 1    13 9 4 1      C-13-H3C(O)CH3
  180182.6250  0.0211 -5.3841 3  303.3967488  5951614043030 1 1    3029 2 1      C-13-H3C(O)CH3
  180188.0206  0.0169 -7.3221 3  411.4476632  595161404392119 2    382414 2      C-13-H3C(O)CH3
  180191.6410  0.0579 -6.0956 3 1170.2926524  595161404653927 4    653828 4      C-13-H3C(O)CH3
  180196.6281  0.0620 -6.0955 3 1170.2926524  595161404653927 3    653828 3      C-13-H3C(O)CH3
  180205.1794  0.0204 -5.6847 3  303.3601244  5951614043030 0 3    3029 1 3      C-13-H3C(O)CH3
  180251.3064  0.0029 -4.7279 3  212.4073244 -59516140430 921 3    30 822 3      C-13-H3C(O)CH3
  180251.3064  0.0034 -4.7279 3  212.4074244 -595161404301021 4    30 922 4      C-13-H3C(O)CH3
  180251.3064  0.0029 -4.7279 3  212.4073244 -595161404301021 3    30 922 3      C-13-H3C(O)CH3
  180251.3064  0.0034 -4.7279 3  212.4074244 -59516140430 921 4    30 822 4      C-13-H3C(O)CH3
  180251.8934  0.0154 -7.3204 3  411.4736632  595161404392119 0    382414 0      C-13-H3C(O)CH3
  180273.5337  0.0068 -5.8120 3   85.3875148  5951614041810 9 3    1711 6 3      C-13-H3C(O)CH3
  180277.6712  0.0954 -5.4415 3  922.0093920  595161404573819 2    573720 2      C-13-H3C(O)CH3
  180285.4876  0.0073 -6.1670 3   78.1013280  5951614041710 7 2    17 710 2      C-13-H3C(O)CH3
  180315.2792  0.0185 -5.3835 3  303.4123488  5951614043030 0 2    3029 1 2      C-13-H3C(O)CH3
  180319.8164  0.0944 -5.6499 3 1081.3105A00  595161404624023 0    623924 0      C-13-H3C(O)CH3
  180332.8859  0.1037 -5.7031 3  922.0325460  595161404573819 3    573720 3      C-13-H3C(O)CH3
  180338.0623  0.0074 -6.1630 3   78.0706280  5951614041710 7 0    17 710 0      C-13-H3C(O)CH3
  180344.8360  0.0049 -5.5085 3   85.3622296  5951614041810 9 1    1711 6 1      C-13-H3C(O)CH3
  180352.8439  0.0191 -5.3838 3  303.4727488  5951614043030 1 0    3029 2 0      C-13-H3C(O)CH3
  180352.8439  0.0191 -5.3838 3  303.4727488  5951614043030 0 0    3029 1 0      C-13-H3C(O)CH3
  180362.3010  0.0026 -4.4261 3  212.4108488 -595161404301021 2    30 922 2      C-13-H3C(O)CH3
  180362.3010  0.0026 -4.4261 3  212.4108488 -59516140430 921 2    30 822 2      C-13-H3C(O)CH3
  180369.2994  0.0027 -4.4262 3  212.4120488 -595161404301021 1    30 922 1      C-13-H3C(O)CH3
  180369.2994  0.0027 -4.4262 3  212.4120488 -59516140430 921 1    30 822 1      C-13-H3C(O)CH3
  180390.3359  0.1818 -6.3093 3  860.6981888  595161404553718 2    553620 2      C-13-H3C(O)CH3
  180405.3623  0.0071 -6.4745 3   78.1340140  5951614041710 7 3    17 710 3      C-13-H3C(O)CH3
  180409.6216  0.2496 -6.7722 3  985.4300476  595161404593921 4    593821 4      C-13-H3C(O)CH3
  180433.5316  0.0055 -5.5032 3   85.3565296  5951614041810 9 2    1711 6 2      C-13-H3C(O)CH3
  180441.8767  0.0118 -5.1216 3  482.9885324  5951614044032 9 3    403110 3      C-13-H3C(O)CH3
  180442.8859  0.0107 -6.4745 3   78.1340140  5951614041710 7 4    17 710 4      C-13-H3C(O)CH3
  180474.1612  0.0074 -6.1696 3   78.1032280  5951614041710 7 1    17 710 1      C-13-H3C(O)CH3
  180479.9581  0.0025 -4.4254 3  212.4155488 -595161404301021 0    30 922 0      C-13-H3C(O)CH3
  180479.9581  0.0025 -4.4254 3  212.4155488 -59516140430 921 0    30 822 0      C-13-H3C(O)CH3
  180487.4275  0.0202 -5.6837 3  303.3624244  5951614043030 0 4    3029 1 4      C-13-H3C(O)CH3
  180496.3821  0.0114 -5.1215 3  482.9669324  5951614044032 9 4    403110 4      C-13-H3C(O)CH3
  180499.1877  0.0159 -6.9007 3  115.8175164  5951614042015 6 3    2012 8 3      C-13-H3C(O)CH3
  180525.0488  0.0875 -5.7175 3  922.0491460  595161404573819 4    573720 4      C-13-H3C(O)CH3
  180525.3138  0.0192 -5.3829 3  303.4227488  5951614043030 0 1    3029 1 1      C-13-H3C(O)CH3
  180527.8817  0.0109 -4.8205 3  483.0204648  5951614044032 8 2    4031 9 2      C-13-H3C(O)CH3
  180547.0830  0.0980 -5.6554 3 1081.3360A00  595161404624023 2    623924 2      C-13-H3C(O)CH3
  180549.8611  0.0138 -5.1212 3  483.0138324  5951614044032 8 4    4031 9 4      C-13-H3C(O)CH3
  180550.6289  0.0104 -4.8204 3  482.9814648  5951614044032 9 1    403110 1      C-13-H3C(O)CH3
  180552.8417  0.0859 -5.6554 3 1081.3371A00  595161404624023 1    623924 1      C-13-H3C(O)CH3
  180563.8108  0.0031 -5.4983 3   85.3294296  5951614041810 9 0    1711 6 0      C-13-H3C(O)CH3
  180569.6647  0.0051 -5.6501 3   76.8716140  5951614041710 8 4    1611 5 4      C-13-H3C(O)CH3
  180582.7518  0.0100 -4.8203 3  482.9989648  5951614044032 9 2    403110 2      C-13-H3C(O)CH3
  180588.8780  0.1026 -7.3007 3  775.7535840  595161404523617 2    523517 2      C-13-H3C(O)CH3
  180605.6676  0.0121 -5.1211 3  482.9922324  5951614044032 8 3    4031 9 3      C-13-H3C(O)CH3
  180606.2054  1.9824 -7.4288 3 1870.6638660  595161404825131 4    825032 4      C-13-H3C(O)CH3
  180638.2739  0.0104 -4.8203 3  483.0132648  5951614044032 8 0    4031 9 0      C-13-H3C(O)CH3
  180638.3175  0.0104 -4.8203 3  483.0132648  5951614044032 9 0    403110 0      C-13-H3C(O)CH3
  180659.5456  0.0112 -4.8200 3  483.0066648  5951614044032 8 1    4031 9 1      C-13-H3C(O)CH3
  180708.0819  0.1428 -6.4241 3  985.3925952  595161404593921 2    593821 2      C-13-H3C(O)CH3
  180709.9141  0.3391 -6.9001 3 1014.8620484  595161404603921 4    603823 4      C-13-H3C(O)CH3
  180714.3620  0.0899 -5.9697 3 1081.3614500  595161404624023 4    623924 4      C-13-H3C(O)CH3
  180723.2951  0.1327 -6.4743 3  985.3912952  595161404593921 1    593821 1      C-13-H3C(O)CH3
  180732.8685  1.7392 -7.1272 3 1870.6627D20  595161404825131 1    825032 1      C-13-H3C(O)CH3
  180737.6062  0.4064 -6.1161 3 1334.3720B12  595161404694425 0    694326 0      C-13-H3C(O)CH3
  180742.6146  0.0866 -7.0907 3  775.7409840  595161404523617 1    523517 1      C-13-H3C(O)CH3
  180767.5768  0.0035 -4.5692 3  419.2684648  595161404401822 0    401723 0      C-13-H3C(O)CH3
  180767.6598  0.0125 -7.2769 3   51.2573216  5951614041312 2 1    13 9 5 1      C-13-H3C(O)CH3
  180768.0321  0.0035 -4.5692 3  419.2684648  595161404401922 0    401823 0      C-13-H3C(O)CH3
  180779.2491  0.0041 -4.5690 3  419.2398648  595161404401822 2    401723 2      C-13-H3C(O)CH3
  180779.7398  0.0041 -4.5690 3  419.2398648  595161404401922 2    401823 2      C-13-H3C(O)CH3
  180783.2923  0.0053 -6.2168 3   72.7058264  5951614041612 5 0    16 9 8 0      C-13-H3C(O)CH3
  180790.8939  0.0038 -4.5690 3  419.2421648  595161404401822 1    401723 1      C-13-H3C(O)CH3
  180791.3651  0.0038 -4.5690 3  419.2421648  595161404401922 1    401823 1      C-13-H3C(O)CH3
  180795.8387  0.0037 -4.7353 3  194.3304236  59516140429 921 4    29 822 4      C-13-H3C(O)CH3
  180795.8387  0.0037 -4.7353 3  194.3304236  59516140429 821 4    29 722 4      C-13-H3C(O)CH3
  180795.9833  0.0031 -4.7353 3  194.3304236  59516140429 921 3    29 822 3      C-13-H3C(O)CH3
  180795.9833  0.0031 -4.7353 3  194.3304236  59516140429 821 3    29 722 3      C-13-H3C(O)CH3
  180802.6334  0.0043 -4.8699 3  419.2133324  595161404401822 4    401723 4      C-13-H3C(O)CH3
  180802.6341  0.0043 -4.8699 3  419.2134324  595161404401822 3    401723 3      C-13-H3C(O)CH3
  180803.1392  0.0043 -4.8699 3  419.2133324  595161404401922 4    401823 4      C-13-H3C(O)CH3
  180803.1422  0.0043 -4.8699 3  419.2134324  595161404401922 3    401823 3      C-13-H3C(O)CH3
  180821.3154  0.0139 -6.3098 3  115.7917328  5951614042015 6 2    2012 8 2      C-13-H3C(O)CH3
  180858.3487  0.1316 -5.9491 3 1081.3642500  595161404624023 3    623924 3      C-13-H3C(O)CH3
  180883.2137  0.0152 -6.3511 3  115.8175164  5951614042015 5 3    2012 8 3      C-13-H3C(O)CH3
  180914.0538  0.0339 -5.5446 3  860.8048452  595161404563225 4    563126 4      C-13-H3C(O)CH3
  180915.3546  0.0335 -5.5446 3  860.8048452  595161404563225 3    563126 3      C-13-H3C(O)CH3
  180920.1202  0.2048 -6.0093 3 1287.4591A96  595161404684227 0    684128 0      C-13-H3C(O)CH3
  180929.3504  0.0327 -5.2436 3  860.8020904  595161404563225 2    563126 2      C-13-H3C(O)CH3
  180930.5573  0.0027 -4.4335 3  194.3274472 -59516140429 921 2    29 822 2      C-13-H3C(O)CH3
  180930.5573  0.0027 -4.4335 3  194.3274472 -59516140429 821 2    29 722 2      C-13-H3C(O)CH3
  180935.2949  0.0034 -5.3163 3   76.8337280  5951614041710 8 1    1611 5 1      C-13-H3C(O)CH3
  180935.3957  0.0291 -5.2436 3  860.8019904  595161404563225 1    563126 1      C-13-H3C(O)CH3
  180936.8019  0.0028 -4.4335 3  194.3284472 -59516140429 821 1    29 722 1      C-13-H3C(O)CH3
  180936.8019  0.0028 -4.4335 3  194.3284472 -59516140429 921 1    29 822 1      C-13-H3C(O)CH3
  180947.5465  0.0035 -5.3096 3   76.8308280  5951614041710 8 2    1611 5 2      C-13-H3C(O)CH3
  180949.8138  0.0194 -6.7108 3   81.0558140  5951614041712 5 4    1613 4 4      C-13-H3C(O)CH3
  180950.6528  0.0279 -5.2436 3  860.7990904  595161404563225 0    563126 0      C-13-H3C(O)CH3
  180992.2797  0.0165 -6.6066 3   91.8607296  5951614041813 6 1    1714 3 1      C-13-H3C(O)CH3
  181027.5721  0.0035 -5.7348 3   14.6031 68  595161404 8 6 3 4     7 3 4 4      C-13-H3C(O)CH3
  181029.9084  0.0055 -6.5796 3  219.7704236  595161404291316 3    281613 3      C-13-H3C(O)CH3
  181031.1041  0.0060 -6.5796 3  219.7704236  595161404291316 4    281613 4      C-13-H3C(O)CH3
  181046.2751  0.5405 -6.1150 3 1334.3875B12  595161404694425 2    694326 2      C-13-H3C(O)CH3
  181047.1178  0.0056 -6.2778 3  219.7861472  595161404291316 1    281613 1      C-13-H3C(O)CH3
  181050.7899  0.0126 -7.2905 3   51.2586216  5951614041312 2 2    13 9 5 2      C-13-H3C(O)CH3
  181068.7130  0.2132 -6.0088 3 1287.4739A96  595161404684227 2    684128 2      C-13-H3C(O)CH3
  181071.0891  0.0026 -4.4327 3  194.3254472 -59516140429 821 0    29 722 0      C-13-H3C(O)CH3
  181071.0891  0.0026 -4.4327 3  194.3254472 -59516140429 921 0    29 822 0      C-13-H3C(O)CH3
  181072.6683  0.0037 -5.6039 3   76.8554140  5951614041710 8 3    1611 5 3      C-13-H3C(O)CH3
  181079.3909  0.0156 -6.4955 3   91.8654296  5951614041813 6 2    1714 3 2      C-13-H3C(O)CH3
  181079.9026  0.0019 -5.2959 3   76.8006280  5951614041710 8 0    1611 5 0      C-13-H3C(O)CH3
  181097.2679  0.0092 -7.0302 3  389.2529316  595161404391623 4    381920 4      C-13-H3C(O)CH3
  181097.3538  0.0092 -7.0302 3  389.2529316  595161404391623 3    381920 3      C-13-H3C(O)CH3
  181106.4176  0.0092 -7.0302 3  389.2526316  595161404391723 4    381820 4      C-13-H3C(O)CH3
  181106.5325  0.0092 -7.0302 3  389.2526316  595161404391723 3    381820 3      C-13-H3C(O)CH3
  181106.8215  0.0092 -6.7295 3  389.2816632  595161404391623 1    381920 1      C-13-H3C(O)CH3
  181107.2264  0.0056 -6.2747 3  219.7807472  595161404291316 2    281613 2      C-13-H3C(O)CH3
  181109.0285  0.0057 -7.2877 3   35.7074100  59516140412 6 6 3    12 3 9 3      C-13-H3C(O)CH3
  181115.5292  0.0092 -6.7295 3  389.2813632  595161404391723 1    381820 1      C-13-H3C(O)CH3
  181123.8053  0.0051 -6.2740 3  219.7964472  595161404291316 0    281613 0      C-13-H3C(O)CH3
  181131.4886  0.0077 -7.2875 3   35.7074100  59516140412 6 6 4    12 3 9 4      C-13-H3C(O)CH3
  181144.2218  0.0093 -6.7270 3  389.2781632  595161404391623 2    381920 2      C-13-H3C(O)CH3
  181153.2591  0.0093 -6.7270 3  389.2778632  595161404391723 2    381820 2      C-13-H3C(O)CH3
  181153.5232  0.0080 -6.7273 3  389.3068632  595161404391623 0    381920 0      C-13-H3C(O)CH3
  181156.4405  0.0067 -5.7517 3  121.8921344  5951614042113 8 0    211011 0      C-13-H3C(O)CH3
  181157.2982  0.0079 -5.7549 3  121.9031344  5951614042113 8 2    211011 2      C-13-H3C(O)CH3
  181162.0998  0.0080 -6.7273 3  389.3065632  595161404391723 0    381820 0      C-13-H3C(O)CH3
  181177.0877  0.1821 -6.0084 3 1287.4732A96  595161404684227 1    684128 1      C-13-H3C(O)CH3
  181209.0325  0.0809 -5.4884 3  985.3590952  595161404593920 0    593821 0      C-13-H3C(O)CH3
  181240.2663  0.4027 -6.1147 3 1334.3892B12  595161404694425 1    694326 1      C-13-H3C(O)CH3
  181269.5934  0.0064 -6.9806 3   35.6498200  59516140412 6 6 2    12 3 9 2      C-13-H3C(O)CH3
  181283.1668  0.0041 -7.1477 3  176.8433228  59516140428 721 4    28 722 4      C-13-H3C(O)CH3
  181283.1668  0.0041 -4.7525 3  176.8433228  59516140428 821 4    28 722 4      C-13-H3C(O)CH3
  181283.1668  0.0041 -7.1479 3  176.8433228  59516140428 821 4    28 622 4      C-13-H3C(O)CH3
  181283.1668  0.0041 -4.7525 3  176.8433228  59516140428 721 4    28 622 4      C-13-H3C(O)CH3
  181283.2812  0.0034 -6.8551 3  176.8433228  59516140428 721 3    28 722 3      C-13-H3C(O)CH3
  181283.2812  0.0034 -6.8553 3  176.8433228  59516140428 821 3    28 622 3      C-13-H3C(O)CH3
  181283.2812  0.0034 -4.7541 3  176.8433228  59516140428 721 3    28 622 3      C-13-H3C(O)CH3
  181283.2812  0.0034 -4.7541 3  176.8433228  59516140428 821 3    28 722 3      C-13-H3C(O)CH3
  181291.8659  0.0146 -5.1664 3  386.8479284  5951614043531 5 4    3530 6 4      C-13-H3C(O)CH3
  181321.8694  0.1513 -6.3091 3 1287.4880548  595161404684227 4    684128 4      C-13-H3C(O)CH3
  181329.9868  0.1753 -6.3089 3 1287.4882548  595161404684227 3    684128 3      C-13-H3C(O)CH3
  181341.3534  0.0063 -6.9823 3   35.6505200  59516140412 6 6 1    12 3 9 1      C-13-H3C(O)CH3
  181344.5127  0.0097 -6.0622 3  121.9176172  5951614042113 8 3    211011 3      C-13-H3C(O)CH3
  181351.8255  0.0078 -5.7581 3  121.9067344  5951614042113 8 1    211011 1      C-13-H3C(O)CH3
  181367.4157  0.0103 -6.0626 3  121.9177172  5951614042113 8 4    211011 4      C-13-H3C(O)CH3
  181377.6343  0.1823 -5.9494 3 1253.8171A80  595161404674226 0    674127 0      C-13-H3C(O)CH3
  181385.8203  0.2585 -6.9589 3  860.7108444  595161404553718 4    553620 4      C-13-H3C(O)CH3
  181406.1706  0.0134 -5.1659 3  386.8577284  5951614043531 5 3    3530 6 3      C-13-H3C(O)CH3
  181434.8756  0.0116 -4.8651 3  386.9028568  5951614043531 5 2    3530 6 2      C-13-H3C(O)CH3
  181443.0991  0.0030 -7.2346 3  176.8330456  59516140428 721 2    28 722 2      C-13-H3C(O)CH3
  181443.0991  0.0030 -7.2348 3  176.8330456  59516140428 821 2    28 622 2      C-13-H3C(O)CH3
  181443.1106  0.0030 -4.4493 3  176.8330456 -59516140428 721 2    28 622 2      C-13-H3C(O)CH3
  181443.1106  0.0030 -4.4493 3  176.8330456 -59516140428 821 2    28 722 2      C-13-H3C(O)CH3
  181448.4863  0.0031 -4.4512 3  176.8339456 -59516140428 721 1    28 622 1      C-13-H3C(O)CH3
  181448.4863  0.0031 -4.4501 3  176.8339456 -59516140428 821 1    28 722 1      C-13-H3C(O)CH3
  181448.4886  0.0031 -6.9589 3  176.8339456  59516140428 721 1    28 722 1      C-13-H3C(O)CH3
  181448.4886  0.0031 -6.6919 3  176.8339456  59516140428 821 1    28 622 1      C-13-H3C(O)CH3
  181457.2705  0.0320 -5.1478 3  775.7048840  595161404523616 0    523517 0      C-13-H3C(O)CH3
  181490.8010  0.0060 -6.9763 3   35.5931200  59516140412 6 6 0    12 3 9 0      C-13-H3C(O)CH3
  181491.9286  0.2546 -6.8889 3 1050.9462492  595161404614022 4    613922 4      C-13-H3C(O)CH3
  181492.2364  0.0023 -5.8644 3   24.9251 84  59516140410 7 4 4     9 6 4 4      C-13-H3C(O)CH3
  181497.9806  0.0124 -4.8649 3  386.8844568  5951614043531 5 1    3530 6 1      C-13-H3C(O)CH3
  181527.7375  0.0035 -5.6940 3   14.6026 68  595161404 8 6 3 3     7 3 4 3      C-13-H3C(O)CH3
  181530.9529  0.0133 -5.1656 3  386.8729284  5951614043531 4 3    3530 5 3      C-13-H3C(O)CH3
  181542.7678  0.1138 -6.5195 3  775.7615420  595161404523617 3    523517 3      C-13-H3C(O)CH3
  181544.6708  0.5451 -6.4147 3 1334.4051556  595161404694425 4    694326 4      C-13-H3C(O)CH3
  181546.4887  0.5009 -6.4144 3 1334.4046556  595161404694425 3    694326 3      C-13-H3C(O)CH3
  181550.0922  0.0116 -4.8647 3  386.9125568  5951614043531 4 2    3530 5 2      C-13-H3C(O)CH3
  181552.7539  0.0346 -5.1524 3  775.7409840  595161404523616 1    523517 1      C-13-H3C(O)CH3
  181563.1365  0.1075 -5.5346 3  985.3912952  595161404593920 1    593821 1      C-13-H3C(O)CH3
  181574.4253  0.2140 -5.9489 3 1253.8350A80  595161404674226 2    674127 2      C-13-H3C(O)CH3
  181581.9305  0.0276 -5.1504 3  775.7535840  595161404523616 2    523517 2      C-13-H3C(O)CH3
  181583.4132  0.1429 -6.8193 3 1050.9122984  595161404614022 1    613922 1      C-13-H3C(O)CH3
  181584.3597  0.0277 -5.4493 3  775.7933420  595161404523616 4    523517 4      C-13-H3C(O)CH3
  181587.4073  0.1367 -6.7562 3 1050.9116984  595161404614022 2    613922 2      C-13-H3C(O)CH3
  181595.5040  0.0547 -5.3771 3  921.9039920  595161404573820 0    573721 0      C-13-H3C(O)CH3
  181608.0054  0.0029 -4.4477 3  176.8236456 -59516140428 721 0    28 622 0      C-13-H3C(O)CH3
  181608.0054  0.0029 -4.4477 3  176.8236456 -59516140428 821 0    28 722 0      C-13-H3C(O)CH3
  181616.4909  0.0042 -5.4078 3   14.5366136  595161404 8 6 3 1     7 3 4 1      C-13-H3C(O)CH3
  181618.8190  0.0486 -5.7706 3  992.1179484  595161404603526 4    603427 4      C-13-H3C(O)CH3
  181621.3381  0.0479 -5.7706 3  992.1179484  595161404603526 3    603427 3      C-13-H3C(O)CH3
  181625.9953  0.0489 -5.4696 3  992.1103968  595161404603526 2    603427 2      C-13-H3C(O)CH3
  181632.8997  0.0533 -5.4696 3  992.1089968  595161404603526 1    603427 1      C-13-H3C(O)CH3
  181635.2889  0.0077 -6.6723 3   72.7394264  5951614041612 4 1    16 9 8 1      C-13-H3C(O)CH3
  181638.7889  0.0577 -5.4356 3  921.9294920  595161404573820 1    573721 1      C-13-H3C(O)CH3
  181639.9742  0.0532 -5.4696 3  992.1014968  595161404603526 0    603427 0      C-13-H3C(O)CH3
  181639.9912  0.1477 -5.5406 3  985.3925952  595161404593920 2    593821 2      C-13-H3C(O)CH3
  181643.3086  0.0117 -4.8647 3  386.9392568  5951614043531 5 0    3530 6 0      C-13-H3C(O)CH3
  181643.3086  0.0117 -4.8647 3  386.9392568  5951614043531 4 0    3530 5 0      C-13-H3C(O)CH3
  181644.9960  0.0136 -5.1651 3  386.8826284  5951614043531 4 4    3530 5 4      C-13-H3C(O)CH3
  181662.2458  0.0576 -5.4352 3  921.9307920  595161404573820 2    573721 2      C-13-H3C(O)CH3
  181667.9732  0.1624 -5.9487 3 1253.8361A80  595161404674226 1    674127 1      C-13-H3C(O)CH3
  181674.7692  0.0076 -6.6904 3   72.7371264  5951614041612 4 2    16 9 8 2      C-13-H3C(O)CH3
  181686.6281  0.0316 -5.1467 3  775.6961840  595161404523617 0    523518 0      C-13-H3C(O)CH3
  181702.5450  0.0050 -5.4067 3   14.5352136  595161404 8 6 3 2     7 3 4 2      C-13-H3C(O)CH3
  181717.9992  0.0046 -4.7766 3  159.9476220  59516140427 621 4    27 622 4      C-13-H3C(O)CH3
  181717.9992  0.0046 -4.7766 3  159.9476220  59516140427 721 4    27 522 4      C-13-H3C(O)CH3
  181718.0681  0.0038 -7.3981 3  159.9475220  59516140427 621 3    27 522 3      C-13-H3C(O)CH3
  181718.0681  0.0038 -4.7771 3  159.9475220  59516140427 621 3    27 622 3      C-13-H3C(O)CH3
  181718.0681  0.0038 -7.4031 3  159.9475220  59516140427 721 3    27 622 3      C-13-H3C(O)CH3
  181718.0681  0.0038 -4.7771 3  159.9475220  59516140427 721 3    27 522 3      C-13-H3C(O)CH3
  181727.9557  0.0330 -5.4863 3  775.7615420  595161404523616 3    523517 3      C-13-H3C(O)CH3
  181738.1663  0.0115 -4.8641 3  386.9092568  5951614043531 4 1    3530 5 1      C-13-H3C(O)CH3
  181755.9315  0.1229 -5.7920 3  985.4191476  595161404593920 3    593821 3      C-13-H3C(O)CH3
  181764.7504  0.0054 -4.7689 3  568.6090744  595161404462323 0    462224 0      C-13-H3C(O)CH3
  181770.3107  0.0318 -5.1515 3  775.7066840  595161404523617 1    523518 1      C-13-H3C(O)CH3
  181772.3161  0.0023 -6.0657 3   24.8711168  59516140410 7 4 1     9 6 4 1      C-13-H3C(O)CH3
  181781.4760  0.0080 -4.7687 3  568.5894744  595161404462323 2    462224 2      C-13-H3C(O)CH3
  181785.8195  0.0054 -4.7688 3  568.6091744  595161404462423 0    462324 0      C-13-H3C(O)CH3
  181794.1094  0.0058 -4.7686 3  568.5915744  595161404462323 1    462224 1      C-13-H3C(O)CH3
  181797.8093  0.0025 -6.1641 3   24.8711168  59516140410 7 4 2     9 6 4 2      C-13-H3C(O)CH3
  181803.1456  0.0765 -5.7119 3  921.9494460  595161404573820 4    573721 4      C-13-H3C(O)CH3
  181803.9552  0.0079 -4.7686 3  568.5895744  595161404462423 2    462324 2      C-13-H3C(O)CH3
  181810.8756  0.0084 -5.0694 3  568.5718372  595161404462323 3    462224 3      C-13-H3C(O)CH3
  181810.9922  0.0084 -5.0694 3  568.5718372  595161404462323 4    462224 4      C-13-H3C(O)CH3
  181816.1043  0.0058 -4.7685 3  568.5915744  595161404462423 1    462324 1      C-13-H3C(O)CH3
  181828.5430  0.1540 -7.3044 3 1118.5684A16  595161404634123 2    634023 2      C-13-H3C(O)CH3
  181832.1947  0.1618 -7.3000 3 1118.5703A16  595161404634123 1    634023 1      C-13-H3C(O)CH3
  181834.3504  0.0082 -5.0693 3  568.5719372  595161404462423 3    462324 3      C-13-H3C(O)CH3
  181834.3977  0.0083 -5.0693 3  568.5718372  595161404462423 4    462324 4      C-13-H3C(O)CH3
  181855.9002  0.1648 -6.2494 3 1253.8539540  595161404674226 4    674127 4      C-13-H3C(O)CH3
  181872.8421  0.2033 -6.2489 3 1253.8543540  595161404674226 3    674127 3      C-13-H3C(O)CH3
  181878.2395  0.0366 -5.1492 3  775.7105840  595161404523617 2    523518 2      C-13-H3C(O)CH3
  181884.7167  0.0127 -5.8707 3   78.8476140  5951614041711 7 4    1612 4 4      C-13-H3C(O)CH3
  181904.5296  0.0035 -4.4830 3  159.9291440 -59516140427 621 2    27 522 2      C-13-H3C(O)CH3
  181904.5296  0.0035 -4.4831 3  159.9291440 -59516140427 721 2    27 622 2      C-13-H3C(O)CH3
  181904.5330  0.0035 -6.1496 3  159.9291440  59516140427 721 2    27 522 2      C-13-H3C(O)CH3
  181904.5330  0.0035 -6.1512 3  159.9291440  59516140427 621 2    27 622 2      C-13-H3C(O)CH3
  181909.0854  0.0037 -4.5157 3  159.9298440 -59516140427 721 1    27 522 1      C-13-H3C(O)CH3
  181909.0854  0.0037 -4.5159 3  159.9298440 -59516140427 621 1    27 622 1      C-13-H3C(O)CH3
  181909.0941  0.0037 -5.5113 3  159.9298440  59516140427 721 1    27 622 1      C-13-H3C(O)CH3
  181909.0941  0.0037 -5.5093 3  159.9298440  59516140427 621 1    27 522 1      C-13-H3C(O)CH3
  181910.6734  0.0374 -5.4856 3  775.7492420  595161404523617 3    523518 3      C-13-H3C(O)CH3
  181930.9129  0.2340 -7.2010 3 1118.5996508  595161404634123 4    634023 4      C-13-H3C(O)CH3
  181947.6800  0.0015 -4.5024 3   45.8799116 -59516140414 5 9 3    13 6 8 3      C-13-H3C(O)CH3
  181948.1585  0.0015 -4.5024 3   45.8799116 -59516140414 5 9 4    13 6 8 4      C-13-H3C(O)CH3
  181976.2071  0.1432 -5.8345 3  985.4300476  595161404593920 4    593821 4      C-13-H3C(O)CH3
  181993.6617  0.0867 -5.7098 3  956.8479476  595161404593326 3    593227 3      C-13-H3C(O)CH3
  181994.6449  0.0864 -5.7098 3  956.8479476  595161404593326 4    593227 4      C-13-H3C(O)CH3
  181995.4319  0.0668 -5.6953 3  921.9659460  595161404573820 3    573721 3      C-13-H3C(O)CH3
  182022.2774  0.0016 -4.2012 3   45.8322232 -59516140414 5 9 1    13 6 8 1      C-13-H3C(O)CH3
  182023.5272  0.0016 -4.2015 3   45.8310232 -59516140414 5 9 2    13 6 8 2      C-13-H3C(O)CH3
  182030.8351  0.2914 -5.9750 3 1260.2844A80  595161404674324 0    674225 0      C-13-H3C(O)CH3
  182053.5359  0.0416 -5.4475 3  775.7175420  595161404523617 4    523518 4      C-13-H3C(O)CH3
  182061.1643  0.0032 -4.5373 3  395.3494632  595161404391722 0    391623 0      C-13-H3C(O)CH3
  182061.3078  0.0032 -4.5373 3  395.3494632  595161404391822 0    391723 0      C-13-H3C(O)CH3
  182066.3662  0.0044 -5.3945 3   14.4691136  595161404 8 6 3 0     7 3 4 0      C-13-H3C(O)CH3
  182066.6334  0.0038 -4.5372 3  395.3205632  595161404391722 2    391623 2      C-13-H3C(O)CH3
  182066.7888  0.0038 -4.5372 3  395.3205632  595161404391822 2    391723 2      C-13-H3C(O)CH3
  182067.5406  0.0015 -4.5017 3   45.8767116 -59516140414 6 9 4    13 5 8 4      C-13-H3C(O)CH3
  182068.4220  0.0015 -4.5017 3   45.8766116 -59516140414 6 9 3    13 5 8 3      C-13-H3C(O)CH3
  182077.6299  0.0036 -4.5372 3  395.3227632  595161404391722 1    391623 1      C-13-H3C(O)CH3
  182077.7784  0.0036 -4.5372 3  395.3227632  595161404391822 1    391723 1      C-13-H3C(O)CH3
  182083.1228  0.0039 -4.8382 3  395.2936316  595161404391722 4    391623 4      C-13-H3C(O)CH3
  182083.1522  0.0039 -4.8382 3  395.2937316  595161404391722 3    391623 3      C-13-H3C(O)CH3
  182083.2828  0.0039 -4.8382 3  395.2936316  595161404391822 4    391723 4      C-13-H3C(O)CH3
  182083.3130  0.0039 -4.8382 3  395.2937316  595161404391822 3    391723 3      C-13-H3C(O)CH3
  182090.4957  0.0123 -5.1656 3  549.1679348  595161404433311 3    433211 3      C-13-H3C(O)CH3
  182095.1722  0.0033 -4.8647 3  159.9114440  59516140427 621 0    27 622 0      C-13-H3C(O)CH3
  182095.1722  0.0033 -4.8642 3  159.9114440  59516140427 721 0    27 522 0      C-13-H3C(O)CH3
  182095.1787  0.0033 -4.6985 3  159.9114440 -59516140427 621 0    27 522 0      C-13-H3C(O)CH3
  182095.1787  0.0033 -4.6989 3  159.9114440 -59516140427 721 0    27 622 0      C-13-H3C(O)CH3
  182095.8613  0.1277 -6.5167 3  775.7492420  595161404523616 3    523518 3      C-13-H3C(O)CH3
  182097.6762  0.0016 -4.2013 3   45.7833232 -59516140414 5 9 0    13 6 8 0      C-13-H3C(O)CH3
  182104.6775  0.0091 -5.5642 3   26.2991 84 -59516140410 8 3 4     9 7 2 4      C-13-H3C(O)CH3
  182104.6930  0.0052 -4.8488 3  143.6445212  59516140426 521 4    26 522 4      C-13-H3C(O)CH3
  182104.6930  0.0052 -4.8459 3  143.6445212  59516140426 621 4    26 422 4      C-13-H3C(O)CH3
  182104.6930  0.0052 -5.9373 3  143.6445212  59516140426 521 4    26 422 4      C-13-H3C(O)CH3
  182104.6930  0.0052 -5.9746 3  143.6445212  59516140426 621 4    26 522 4      C-13-H3C(O)CH3
  182104.6993  0.0044 -5.2226 3  143.6445212  59516140426 621 3    26 522 3      C-13-H3C(O)CH3
  182104.6993  0.0044 -5.0789 3  143.6445212  59516140426 521 3    26 522 3      C-13-H3C(O)CH3
  182104.6993  0.0044 -5.1560 3  143.6445212  59516140426 521 3    26 422 3      C-13-H3C(O)CH3
  182104.6993  0.0044 -5.0300 3  143.6445212  59516140426 621 3    26 422 3      C-13-H3C(O)CH3
  182116.1332  0.0044 -6.3691 3  165.5902204  595161404251213 3    241510 3      C-13-H3C(O)CH3
  182116.3637  0.0046 -6.0646 3  165.5911408  595161404251213 2    241510 2      C-13-H3C(O)CH3
  182124.1939  0.0146 -5.1655 3  549.1954348  595161404433310 4    433211 4      C-13-H3C(O)CH3
  182125.6965  0.0605 -5.4083 3  956.8409952  595161404593326 1    593227 1      C-13-H3C(O)CH3
  182126.2263  0.0116 -4.8646 3  549.1878696  595161404433310 2    433211 2      C-13-H3C(O)CH3
  182133.3573  0.0893 -5.4083 3  956.8421952  595161404593326 2    593227 2      C-13-H3C(O)CH3
  182133.8313  0.0045 -6.0633 3  165.5954408  595161404251213 0    241510 0      C-13-H3C(O)CH3
  182144.3817  0.0016 -4.2005 3   45.8288232 -59516140414 6 9 1    13 5 8 1      C-13-H3C(O)CH3
  182148.4603  0.0016 -4.2008 3   45.8275232 -59516140414 6 9 2    13 5 8 2      C-13-H3C(O)CH3
  182149.8299  0.0047 -6.0668 3  165.5940408  595161404251213 1    241510 1      C-13-H3C(O)CH3
  182151.3412  0.0042 -6.3692 3  165.5891204  595161404251213 4    241510 4      C-13-H3C(O)CH3
  182159.7914  0.0193 -5.2848 3  707.6487412  595161404512724 3    512625 3      C-13-H3C(O)CH3
  182159.9115  0.0149 -6.1919 3  115.8021328  5951614042015 5 1    2012 8 1      C-13-H3C(O)CH3
  182160.0880  0.0195 -5.2848 3  707.6487412  595161404512724 4    512625 4      C-13-H3C(O)CH3
  182163.0177  0.0187 -4.9838 3  707.6553824  595161404512724 2    512625 2      C-13-H3C(O)CH3
  182175.4961  0.0122 -4.9838 3  707.6566824  595161404512724 1    512625 1      C-13-H3C(O)CH3
  182178.3696  0.0117 -4.9839 3  707.6631824  595161404512724 0    512625 0      C-13-H3C(O)CH3
  182181.5538  0.0105 -6.9204 3   72.7706132  5951614041612 4 4    16 9 8 4      C-13-H3C(O)CH3
  182184.2597  0.1088 -5.5987 3 1050.8811984  595161404614021 0    613922 0      C-13-H3C(O)CH3
  182188.7686  0.0110 -4.8643 3  549.1441696  595161404433311 1    433212 1      C-13-H3C(O)CH3
  182219.0807  0.0123 -5.1651 3  549.1394348  595161404433311 4    433212 4      C-13-H3C(O)CH3
  182223.0754  0.0118 -4.8642 3  549.1715696  595161404433310 1    433211 1      C-13-H3C(O)CH3
  182224.7356  0.0016 -4.2006 3   45.7798232 -59516140414 6 9 0    13 5 8 0      C-13-H3C(O)CH3
  182225.6546  0.0107 -4.8644 3  549.1639696  595161404433310 0    433211 0      C-13-H3C(O)CH3
  182226.1812  0.0107 -4.8644 3  549.1639696  595161404433311 0    433212 0      C-13-H3C(O)CH3
  182240.4009  0.0118 -5.9444 3  115.7760328  5951614042015 5 0    2012 8 0      C-13-H3C(O)CH3
  182254.2006  0.0128 -5.1651 3  549.1669348  595161404433310 3    433212 3      C-13-H3C(O)CH3
  182255.5673  0.0109 -4.8642 3  549.1594696  595161404433311 2    433212 2      C-13-H3C(O)CH3
  182262.9043  0.0621 -5.4078 3  956.8351952  595161404593326 0    593227 0      C-13-H3C(O)CH3
  182289.4658  0.0030 -5.6653 3   13.4148 68  595161404 8 5 4 4     7 2 5 4      C-13-H3C(O)CH3
  182319.0884  0.0044 -4.5239 3  143.6170424  59516140426 521 2    26 522 2      C-13-H3C(O)CH3
  182319.0884  0.0044 -4.5244 3  143.6170424  59516140426 621 2    26 422 2      C-13-H3C(O)CH3
  182319.1093  0.0044 -6.0902 3  143.6170424 -59516140426 521 2    26 422 2      C-13-H3C(O)CH3
  182319.1093  0.0044 -6.0703 3  143.6170424 -59516140426 621 2    26 522 2      C-13-H3C(O)CH3
  182322.7799  0.0045 -4.5188 3  143.6176424 -59516140426 621 1    26 422 1      C-13-H3C(O)CH3
  182322.7799  0.0045 -6.0914 3  143.6176424 -59516140426 521 1    26 422 1      C-13-H3C(O)CH3
  182322.7978  0.0045 -4.5240 3  143.6176424  59516140426 521 1    26 522 1      C-13-H3C(O)CH3
  182322.7978  0.0045 -6.3469 3  143.6176424  59516140426 621 1    26 522 1      C-13-H3C(O)CH3
  182330.6636  0.1140 -7.0556 3  921.9659460  595161404573819 3    573721 3      C-13-H3C(O)CH3
  182336.2431  0.0026 -5.6649 3   13.4148 68  595161404 8 5 4 3     7 2 5 3      C-13-H3C(O)CH3
  182342.4169  0.0074 -5.4393 3   91.8258296  5951614041813 6 0    1714 3 0      C-13-H3C(O)CH3
  182357.1619  0.4047 -5.9742 3 1260.3039A80  595161404674324 2    674225 2      C-13-H3C(O)CH3
  182404.9543  0.0167 -4.9827 3  707.6564824  595161404512824 2    512725 2      C-13-H3C(O)CH3
  182407.5094  0.0112 -4.9829 3  707.6641824  595161404512824 0    512725 0      C-13-H3C(O)CH3
  182412.6292  0.0175 -5.2836 3  707.6499412  595161404512824 4    512725 4      C-13-H3C(O)CH3
  182412.8380  0.0174 -5.2836 3  707.6499412  595161404512824 3    512725 3      C-13-H3C(O)CH3
  182415.1105  0.0122 -4.9827 3  707.6577824  595161404512824 1    512725 1      C-13-H3C(O)CH3
  182439.1565  0.0051 -6.8195 3   51.9498116  59516140414 9 6 4    14 6 9 4      C-13-H3C(O)CH3
  182440.9910  0.0978 -5.7172 3 1132.2801A32  595161404643827 0    643728 0      C-13-H3C(O)CH3
  182447.1979  0.0050 -4.8721 3  127.9353204  59516140425 421 3    25 322 3      C-13-H3C(O)CH3
  182447.1979  0.0050 -4.8721 3  127.9353204  59516140425 521 3    25 422 3      C-13-H3C(O)CH3
  182447.2727  0.0059 -5.6599 3  127.9354204  59516140425 521 4    25 422 4      C-13-H3C(O)CH3
  182447.2727  0.0059 -4.9492 3  127.9354204  59516140425 421 4    25 422 4      C-13-H3C(O)CH3
  182447.2727  0.0059 -4.9492 3  127.9354204  59516140425 521 4    25 322 4      C-13-H3C(O)CH3
  182447.2727  0.0059 -5.6599 3  127.9354204  59516140425 421 4    25 322 4      C-13-H3C(O)CH3
  182458.8705  0.0726 -5.7171 3 1132.2922A32  595161404643827 2    643728 2      C-13-H3C(O)CH3
  182460.7287  0.1433 -6.2733 3  921.9294920  595161404573819 1    573721 1      C-13-H3C(O)CH3
  182481.3411  0.2972 -5.9747 3 1260.3065A80  595161404674324 1    674225 1      C-13-H3C(O)CH3
  182483.2968  0.0934 -5.7170 3 1132.2897A32  595161404643827 1    643728 1      C-13-H3C(O)CH3
  182491.4839  0.0205 -6.5062 3  115.8185164  5951614042015 5 4    2012 8 4      C-13-H3C(O)CH3
  182495.6441  0.0145 -6.1897 3  115.7917328  5951614042015 5 2    2012 8 2      C-13-H3C(O)CH3
  182500.8169  0.0589 -6.0180 3 1132.3018516  595161404643827 4    643728 4      C-13-H3C(O)CH3
  182502.2096  0.0121 -5.1221 3  463.9264316  5951614043932 8 3    3931 9 3      C-13-H3C(O)CH3
  182504.4610  0.0594 -6.0180 3 1132.3018516  595161404643827 3    643728 3      C-13-H3C(O)CH3
  182513.9556  0.0032 -5.3629 3   13.3470136  595161404 8 5 4 1     7 2 5 1      C-13-H3C(O)CH3
  182514.5372  0.0119 -5.1221 3  463.9077316  5951614043932 8 4    3931 9 4      C-13-H3C(O)CH3
  182517.5036  0.1200 -5.7630 3 1149.9262A32  595161404644124 0    644025 0      C-13-H3C(O)CH3
  182518.2398  0.0048 -6.6566 3   60.9467124  5951614041510 6 4    15 7 9 4      C-13-H3C(O)CH3
  182522.2325  0.0034 -5.3629 3   13.3463136  595161404 8 5 4 2     7 2 5 2      C-13-H3C(O)CH3
  182536.7278  0.0041 -4.6024 3  143.5902424  59516140426 521 0    26 522 0      C-13-H3C(O)CH3
  182536.7278  0.0041 -4.5887 3  143.5902424  59516140426 621 0    26 422 0      C-13-H3C(O)CH3
  182536.7381  0.0041 -5.2964 3  143.5902424 -59516140426 621 0    26 522 0      C-13-H3C(O)CH3
  182536.7381  0.0041 -5.2322 3  143.5902424 -59516140426 521 0    26 422 0      C-13-H3C(O)CH3
  182540.8060  0.1371 -5.6244 3 1050.9122984  595161404614021 1    613922 1      C-13-H3C(O)CH3
  182546.8430  0.9898 -6.9674 3 1636.6755620  595161404774532 4    774433 4      C-13-H3C(O)CH3
  182547.4543  0.9917 -6.9674 3 1636.6755620  595161404774532 3    774433 3      C-13-H3C(O)CH3
  182548.4844  0.0041 -6.8176 3   51.9498116  59516140414 9 6 3    14 6 9 3      C-13-H3C(O)CH3
  182576.6908  0.2015 -5.6287 3 1050.9116984  595161404614021 2    613922 2      C-13-H3C(O)CH3
  182580.4499  0.0994 -7.0819 3  775.7066840  595161404523616 1    523518 1      C-13-H3C(O)CH3
  182603.2573  0.0109 -4.8210 3  463.9634632  5951614043932 7 2    3931 8 2      C-13-H3C(O)CH3
  182605.6204  0.8038 -6.6661 3 1636.6705C40  595161404774532 1    774433 1      C-13-H3C(O)CH3
  182611.6740  0.0108 -4.8209 3  463.9264632  5951614043932 8 1    3931 9 1      C-13-H3C(O)CH3
  182615.5498  0.0102 -4.8210 3  463.9449632  5951614043932 8 2    3931 9 2      C-13-H3C(O)CH3
  182632.9329  0.2157 -6.2758 3  921.9307920  595161404573819 2    573721 2      C-13-H3C(O)CH3
  182644.3331  0.0138 -5.1217 3  463.9521316  5951614043932 7 4    3931 8 4      C-13-H3C(O)CH3
  182648.8973  0.0165 -5.2199 3  370.3326276  5951614043431 4 4    3430 5 4      C-13-H3C(O)CH3
  182657.7494  0.0123 -5.1217 3  463.9336316  5951614043932 7 3    3931 8 3      C-13-H3C(O)CH3
  182664.2593  0.2080 -5.8418 3 1188.3416A48  595161404654223 0    654124 0      C-13-H3C(O)CH3
  182690.6260  0.0055 -4.6010 3  127.8981408 -59516140425 521 2    25 422 2      C-13-H3C(O)CH3
  182690.6260  0.0055 -4.6010 3  127.8981408 -59516140425 421 2    25 322 2      C-13-H3C(O)CH3
  182690.6441  0.0055 -5.7220 3  127.8981408  59516140425 421 2    25 422 2      C-13-H3C(O)CH3
  182690.6441  0.0055 -5.7220 3  127.8981408  59516140425 521 2    25 322 2      C-13-H3C(O)CH3
  182692.6948  0.1494 -5.7164 3 1118.5412A16  595161404634122 0    634023 0      C-13-H3C(O)CH3
  182693.4812  0.0057 -4.5697 3  127.8986408  59516140425 521 1    25 422 1      C-13-H3C(O)CH3
  182693.4812  0.0057 -4.5925 3  127.8986408  59516140425 421 1    25 322 1      C-13-H3C(O)CH3
  182693.4812  0.0057 -5.8569 3  127.8986408  59516140425 421 1    25 422 1      C-13-H3C(O)CH3
  182711.9671  0.0110 -7.0877 3   51.2232216  5951614041312 2 0    13 9 5 0      C-13-H3C(O)CH3
  182714.3233  0.0107 -4.8208 3  463.9634632  5951614043932 7 0    3931 8 0      C-13-H3C(O)CH3
  182714.3300  0.0107 -4.8208 3  463.9634632  5951614043932 8 0    3931 9 0      C-13-H3C(O)CH3
  182723.1682  0.0036 -5.3618 3   13.2787136  595161404 8 5 4 0     7 2 5 0      C-13-H3C(O)CH3
  182736.5144  0.0164 -6.9300 3  186.3554424  595161404261511 2    2518 7 2      C-13-H3C(O)CH3
  182749.2959  0.0058 -5.1348 3  112.8214196  59516140424 421 3    24 322 3      C-13-H3C(O)CH3
  182749.2959  0.0058 -5.4342 3  112.8214196  59516140424 421 3    24 222 3      C-13-H3C(O)CH3
  182749.2959  0.0058 -5.4661 3  112.8214196  59516140424 321 3    24 322 3      C-13-H3C(O)CH3
  182749.2959  0.0058 -5.1197 3  112.8214196  59516140424 321 3    24 222 3      C-13-H3C(O)CH3
  182749.4721  0.0067 -6.7443 3  112.8214196  59516140424 421 4    24 322 4      C-13-H3C(O)CH3
  182749.4721  0.0067 -4.9653 3  112.8214196  59516140424 421 4    24 222 4      C-13-H3C(O)CH3
  182749.4721  0.0067 -6.7443 3  112.8214196  59516140424 321 4    24 222 4      C-13-H3C(O)CH3
  182749.4721  0.0067 -4.9653 3  112.8214196  59516140424 321 4    24 322 4      C-13-H3C(O)CH3
  182749.7844  0.1374 -5.7641 3 1149.9504A32  595161404644124 2    644025 2      C-13-H3C(O)CH3
  182754.9480  0.0112 -4.8205 3  463.9521632  5951614043932 7 1    3931 8 1      C-13-H3C(O)CH3
  182756.5879  0.0038 -6.6485 3   60.9467124  5951614041510 6 3    15 7 9 3      C-13-H3C(O)CH3
  182765.0810  0.0042 -6.5134 3   51.9045232  59516140414 9 6 1    14 6 9 1      C-13-H3C(O)CH3
  182767.1039  0.0086 -5.4785 3   78.7981280  5951614041711 7 1    1612 4 1      C-13-H3C(O)CH3
  182772.9013  0.0082 -5.4582 3   78.7971280  5951614041711 7 2    1612 4 2      C-13-H3C(O)CH3
  182778.8801  0.0044 -6.5118 3   51.9033232  59516140414 9 6 2    14 6 9 2      C-13-H3C(O)CH3
  182779.5651  0.1081 -5.7646 3 1149.9523A32  595161404644124 1    644025 1      C-13-H3C(O)CH3
  182783.9616  0.1545 -5.8981 3 1050.9395492  595161404614021 3    613922 3      C-13-H3C(O)CH3
  182789.5870  0.0154 -6.1354 3   91.8313148  5951614041813 6 3    1714 3 3      C-13-H3C(O)CH3
  182793.9368  0.0130 -4.9187 3  370.3931552  5951614043431 4 2    3430 5 2      C-13-H3C(O)CH3
  182797.1428  0.3716 -6.2735 3 1260.3257540  595161404674324 3    674225 3      C-13-H3C(O)CH3
  182805.1019  0.0229 -7.1313 3  186.3578212  595161404261511 4    2518 7 4      C-13-H3C(O)CH3
  182809.7491  0.0147 -5.2193 3  370.3415276  5951614043431 4 3    3430 5 3      C-13-H3C(O)CH3
  182810.5662  0.4380 -6.2763 3 1260.3268540  595161404674324 4    674225 4      C-13-H3C(O)CH3
  182827.2441  0.0167 -5.3315 3  695.5534396  595161404493514 4    493415 4      C-13-H3C(O)CH3
  182840.9138  0.0016 -4.3901 3   49.3145124 -59516140415 411 3    14 510 3      C-13-H3C(O)CH3
  182840.9138  0.0016 -4.3901 3   49.3145124 -59516140415 411 4    14 510 4      C-13-H3C(O)CH3
  182842.0080  0.0016 -4.3901 3   49.3145124 -59516140415 511 4    14 410 4      C-13-H3C(O)CH3
  182842.0080  0.0016 -4.3901 3   49.3145124 -59516140415 511 3    14 410 3      C-13-H3C(O)CH3
  182848.7669  0.0173 -5.0305 3  695.5218792  595161404493514 2    493415 2      C-13-H3C(O)CH3
  182862.7050  0.0206 -5.0305 3  695.5060792  595161404493514 1    493415 1      C-13-H3C(O)CH3
  182866.8070  0.0205 -5.0303 3  695.4750792  595161404493514 0    493415 0      C-13-H3C(O)CH3
  182871.2920  0.1264 -7.2897 3  775.7105840  595161404523616 2    523518 2      C-13-H3C(O)CH3
  182885.5057  0.0140 -4.9183 3  370.3757552  5951614043431 4 1    3430 5 1      C-13-H3C(O)CH3
  182902.0613  0.0017 -4.0889 3   49.2655248 -59516140415 411 1    14 510 1      C-13-H3C(O)CH3
  182903.0160  0.0017 -4.0889 3   49.2655248 -59516140415 511 1    14 410 1      C-13-H3C(O)CH3
  182903.0160  0.0016 -4.0890 3   49.2646248 -59516140415 411 2    14 510 2      C-13-H3C(O)CH3
  182903.8957  0.0204 -5.0301 3  695.4736792  595161404493515 0    493416 0      C-13-H3C(O)CH3
  182903.9824  0.0016 -4.0890 3   49.2646248 -59516140415 511 2    14 410 2      C-13-H3C(O)CH3
  182910.0457  1.0705 -6.6651 3 1636.6834C40  595161404774532 2    774433 2      C-13-H3C(O)CH3
  182915.6332  0.0146 -5.2190 3  370.3595276  5951614043431 3 3    3430 4 3      C-13-H3C(O)CH3
  182931.3879  0.0146 -5.2367 3  620.0323372  595161404463412 4    463313 4      C-13-H3C(O)CH3
  182936.3888  0.0051 -4.5731 3  127.8614408  59516140425 421 0    25 422 0      C-13-H3C(O)CH3
  182936.3888  0.0051 -6.4849 3  127.8614408  59516140425 421 0    25 322 0      C-13-H3C(O)CH3
  182936.3888  0.0051 -6.4849 3  127.8614408  59516140425 521 0    25 422 0      C-13-H3C(O)CH3
  182936.3888  0.0051 -4.5731 3  127.8614408  59516140425 521 0    25 322 0      C-13-H3C(O)CH3
  182937.4207  0.0039 -6.3466 3   60.9073248  5951614041510 6 1    15 7 9 1      C-13-H3C(O)CH3
  182943.4237  0.0155 -5.3329 3  695.5223396  595161404493514 3    493415 3      C-13-H3C(O)CH3
  182950.0325  0.0129 -4.9357 3  620.0117744  595161404463412 2    463313 2      C-13-H3C(O)CH3
  182956.0653  0.0128 -4.9181 3  370.4018552  5951614043431 3 2    3430 4 2      C-13-H3C(O)CH3
  182963.8799  0.0016 -4.0888 3   49.2158248 -59516140415 411 0    14 510 0      C-13-H3C(O)CH3
  182965.0254  0.0016 -4.0888 3   49.2157248 -59516140415 511 0    14 410 0      C-13-H3C(O)CH3
  182968.3731  0.2213 -5.9440 3 1050.9462492  595161404614021 4    613922 4      C-13-H3C(O)CH3
  182968.7696  0.8325 -6.6648 3 1636.6784C40  595161404774532 0    774433 0      C-13-H3C(O)CH3
  182973.3559  0.0759 -6.4750 3  620.0030372  595161404463413 3    463313 3      C-13-H3C(O)CH3
  182974.2347  0.0130 -5.2623 3  620.0030372  595161404463412 3    463313 3      C-13-H3C(O)CH3
  182975.3461  0.1100 -6.0705 3 1149.9758516  595161404644124 4    644025 4      C-13-H3C(O)CH3
  182981.3575  0.0210 -5.0300 3  695.4748792  595161404493515 1    493416 1      C-13-H3C(O)CH3
  182990.6717  0.0041 -6.3449 3   60.9057248  5951614041510 6 2    15 7 9 2      C-13-H3C(O)CH3
  183003.5707  0.3116 -5.8433 3 1188.3650A48  595161404654223 2    654124 2      C-13-H3C(O)CH3
  183006.2458  0.0119 -5.9574 3   91.8241148  5951614041813 6 3    1714 4 3      C-13-H3C(O)CH3
  183006.6566  0.0136 -4.9355 3  619.9947744  595161404463412 1    463313 1      C-13-H3C(O)CH3
  183014.4685  0.0068 -6.7953 3   98.3037188  59516140423 321 3    23 222 3      C-13-H3C(O)CH3
  183014.4685  0.0068 -6.7953 3   98.3037188  59516140423 221 3    23 122 3      C-13-H3C(O)CH3
  183014.4685  0.0068 -5.1051 3   98.3037188  59516140423 221 3    23 222 3      C-13-H3C(O)CH3
  183014.4685  0.0068 -5.1051 3   98.3037188  59516140423 321 3    23 122 3      C-13-H3C(O)CH3
  183014.7671  0.0076 -5.1551 3   98.3037188  59516140423 321 4    23 222 4      C-13-H3C(O)CH3
  183014.7671  0.0076 -5.1551 3   98.3037188  59516140423 221 4    23 122 4      C-13-H3C(O)CH3
  183014.7671  0.0076 -5.9942 3   98.3037188  59516140423 221 4    23 222 4      C-13-H3C(O)CH3
  183014.7671  0.0076 -5.9942 3   98.3037188  59516140423 321 4    23 122 4      C-13-H3C(O)CH3
  183022.7759  0.0069 -5.4466 3  112.7735392  59516140424 321 2    24 322 2      C-13-H3C(O)CH3
  183022.7759  0.0069 -4.7319 3  112.7735392  59516140424 321 2    24 222 2      C-13-H3C(O)CH3
  183022.7759  0.0069 -5.3043 3  112.7735392  59516140424 421 2    24 222 2      C-13-H3C(O)CH3
  183022.7759  0.0069 -4.7657 3  112.7735392  59516140424 421 2    24 322 2      C-13-H3C(O)CH3
  183023.6106  0.0131 -4.9355 3  619.9742744  595161404463412 0    463313 0      C-13-H3C(O)CH3
  183024.7240  0.0072 -5.8679 3  112.7740392  59516140424 421 1    24 222 1      C-13-H3C(O)CH3
  183024.7240  0.0072 -4.6830 3  112.7740392  59516140424 421 1    24 322 1      C-13-H3C(O)CH3
  183024.7240  0.0072 -4.6830 3  112.7740392  59516140424 321 1    24 222 1      C-13-H3C(O)CH3
  183024.7240  0.0072 -5.8679 3  112.7740392  59516140424 321 1    24 322 1      C-13-H3C(O)CH3
  183028.5402  0.0131 -4.9355 3  619.9740744  595161404463413 0    463314 0      C-13-H3C(O)CH3
  183032.9962  0.0131 -4.9181 3  370.4361552  5951614043431 3 0    3430 4 0      C-13-H3C(O)CH3
  183032.9962  0.0131 -4.9181 3  370.4361552  5951614043431 4 0    3430 5 0      C-13-H3C(O)CH3
  183048.7709  0.1658 -6.0623 3 1149.9774516  595161404644124 3    644025 3      C-13-H3C(O)CH3
  183049.2660  0.0139 -4.9353 3  619.9654744  595161404463413 1    463314 1      C-13-H3C(O)CH3
  183050.3496  0.0041 -6.5076 3   51.8582232  59516140414 9 6 0    14 6 9 0      C-13-H3C(O)CH3
  183051.2755  0.2504 -5.7266 3 1118.5684A16  595161404634122 2    634023 2      C-13-H3C(O)CH3
  183058.1937  0.0101 -5.6933 3  190.1367212  5951614042617 9 3    261412 3      C-13-H3C(O)CH3
  183064.8187  0.1722 -5.7266 3 1118.5703A16  595161404634122 1    634023 1      C-13-H3C(O)CH3
  183069.1861  0.2226 -5.8445 3 1188.3676A48  595161404654223 1    654124 1      C-13-H3C(O)CH3
  183072.2418  0.0206 -5.3325 3  695.5143396  595161404493515 3    493416 3      C-13-H3C(O)CH3
  183076.6928  0.0147 -5.2184 3  370.3682276  5951614043431 3 4    3430 4 4      C-13-H3C(O)CH3
  183092.6576  0.0205 -5.0296 3  695.4827792  595161404493515 2    493416 2      C-13-H3C(O)CH3
  183098.0808  0.0074 -5.3924 3  190.1465424  5951614042617 9 1    261412 1      C-13-H3C(O)CH3
  183101.0677  0.0082 -5.4747 3   91.8654296  5951614041813 5 2    1714 3 2      C-13-H3C(O)CH3
  183114.4279  0.0050 -5.6972 3  190.1371212  5951614042617 9 4    261412 4      C-13-H3C(O)CH3
  183125.6898  0.0148 -5.2619 3  619.9979372  595161404463413 3    463314 3      C-13-H3C(O)CH3
  183126.5686  0.0778 -6.4746 3  619.9979372  595161404463412 3    463314 3      C-13-H3C(O)CH3
  183144.0381  0.0134 -4.9350 3  619.9774744  595161404463413 2    463314 2      C-13-H3C(O)CH3
  183148.7623  0.0166 -6.8778 3  186.3552424  595161404261511 1    2518 7 1      C-13-H3C(O)CH3
  183152.1064  0.0076 -5.4749 3   91.7962296  5951614041813 6 2    1714 4 2      C-13-H3C(O)CH3
  183153.7848  0.0128 -4.9175 3  370.4024552  5951614043431 3 1    3430 4 1      C-13-H3C(O)CH3
  183166.3596  0.0139 -7.0567 3  156.6238196  595161404241311 4    2316 7 4      C-13-H3C(O)CH3
  183167.1839  0.0153 -5.2358 3  619.9686372  595161404463413 4    463314 4      C-13-H3C(O)CH3
  183184.3070  0.0073 -5.3905 3  190.1382424  5951614042617 9 2    261412 2      C-13-H3C(O)CH3
  183187.3101  0.0231 -5.3301 3  695.4832396  595161404493515 4    493416 4      C-13-H3C(O)CH3
  183193.8268  0.0064 -5.3886 3  190.1480424  5951614042617 9 0    261412 0      C-13-H3C(O)CH3
  183217.9604  0.0396 -5.4809 3  827.7840444  595161404553025 3    552926 3      C-13-H3C(O)CH3
  183218.5439  0.0397 -5.4809 3  827.7840444  595161404553025 4    552926 4      C-13-H3C(O)CH3
  183237.4628  0.0035 -4.5085 3  371.9746616 -595161404381722 2    381623 2      C-13-H3C(O)CH3
  183237.4628  0.0035 -4.5085 3  371.9746616 -595161404381622 2    381523 2      C-13-H3C(O)CH3
  183240.2608  0.0030 -4.5085 3  372.0033616 -595161404381622 0    381523 0      C-13-H3C(O)CH3
  183240.2608  0.0030 -4.5085 3  372.0033616 -595161404381722 0    381623 0      C-13-H3C(O)CH3
  183245.0455  0.0036 -4.8095 3  371.9480308 -595161404381622 3    381523 3      C-13-H3C(O)CH3
  183245.0455  0.0037 -4.8095 3  371.9480308 -595161404381622 4    381523 4      C-13-H3C(O)CH3
  183245.0455  0.0036 -4.8095 3  371.9480308 -595161404381722 3    381623 3      C-13-H3C(O)CH3
  183245.0455  0.0037 -4.8095 3  371.9480308 -595161404381722 4    381623 4      C-13-H3C(O)CH3
  183245.9614  0.0079 -5.8241 3   84.3833180  59516140422 121 3    22 122 3      C-13-H3C(O)CH3
  183245.9614  0.0079 -5.5430 3   84.3833180  59516140422 221 3    22 122 3      C-13-H3C(O)CH3
  183245.9614  0.0079 -5.5430 3   84.3833180  59516140422 121 3    22 022 3      C-13-H3C(O)CH3
  183245.9614  0.0079 -5.8241 3   84.3833180  59516140422 221 3    22 022 3      C-13-H3C(O)CH3
  183246.4045  0.0087 -6.8475 3   84.3833180  59516140422 221 4    22 022 4      C-13-H3C(O)CH3
  183246.4045  0.0087 -6.8475 3   84.3833180  59516140422 121 4    22 122 4      C-13-H3C(O)CH3
  183246.4045  0.0087 -5.3746 3   84.3833180  59516140422 121 4    22 022 4      C-13-H3C(O)CH3
  183246.4045  0.0087 -5.3746 3   84.3833180  59516140422 221 4    22 122 4      C-13-H3C(O)CH3
  183247.8317  0.0035 -4.5085 3  371.9767616 -595161404381622 1    381523 1      C-13-H3C(O)CH3
  183247.8317  0.0035 -4.5085 3  371.9767616 -595161404381722 1    381623 1      C-13-H3C(O)CH3
  183247.8756  0.0116 -5.7442 3   91.9006148  5951614041813 5 4    1714 3 4      C-13-H3C(O)CH3
  183271.1060  0.0395 -5.1798 3  827.7829888  595161404553025 2    552926 2      C-13-H3C(O)CH3
  183275.1434  0.1269 -6.9722 3  833.8377872  595161404543718 2    543618 2      C-13-H3C(O)CH3
  183275.7078  0.0089 -6.1448 3  115.8185172  595161404211111 4    2012 8 4      C-13-H3C(O)CH3
  183279.1585  0.0261 -5.1798 3  827.7831888  595161404553025 1    552926 1      C-13-H3C(O)CH3
  183280.0969  0.0076 -5.4652 3   91.7844296  5951614041813 6 1    1714 4 1      C-13-H3C(O)CH3
  183292.7781  0.0131 -6.4633 3  186.3462424  595161404261511 0    2518 8 0      C-13-H3C(O)CH3
  183293.0989  0.0037 -6.3395 3   60.8664248  5951614041510 6 0    15 7 9 0      C-13-H3C(O)CH3
  183297.5785  0.0066 -4.6539 3  112.7263392  59516140424 321 0    24 222 0      C-13-H3C(O)CH3
  183297.5785  0.0066 -4.6539 3  112.7263392  59516140424 421 0    24 322 0      C-13-H3C(O)CH3
  183298.8421  0.0086 -5.4641 3   91.8607296  5951614041813 5 1    1714 3 1      C-13-H3C(O)CH3
  183302.3570  0.0067 -6.1447 3  115.8175172  595161404211111 3    2012 8 3      C-13-H3C(O)CH3
  183318.7919  0.0087 -7.0477 3   98.2446376  59516140423 321 2    23 222 2      C-13-H3C(O)CH3
  183318.7919  0.0087 -4.7957 3   98.2446376  59516140423 321 2    23 122 2      C-13-H3C(O)CH3
  183318.7919  0.0087 -4.7957 3   98.2446376  59516140423 221 2    23 222 2      C-13-H3C(O)CH3
  183318.7919  0.0087 -7.0477 3   98.2446376  59516140423 221 2    23 122 2      C-13-H3C(O)CH3
  183319.8391  0.0089 -4.7951 3   98.2450376  59516140423 221 1    23 222 1      C-13-H3C(O)CH3
  183319.8391  0.0089 -4.7951 3   98.2450376  59516140423 321 1    23 122 1      C-13-H3C(O)CH3
  183319.8391  0.0089 -7.2320 3   98.2450376  59516140423 321 1    23 222 1      C-13-H3C(O)CH3
  183319.8391  0.0089 -7.2320 3   98.2450376  59516140423 221 1    23 122 1      C-13-H3C(O)CH3
  183331.1493  0.0261 -5.1797 3  827.7820888  595161404553025 0    552926 0      C-13-H3C(O)CH3
  183333.4540  0.0096 -7.1719 3  156.6118392  595161404241311 2    2316 7 2      C-13-H3C(O)CH3
  183349.1917  0.2036 -6.0151 3 1118.5958508  595161404634122 3    634023 3      C-13-H3C(O)CH3
  183362.7613  0.0050 -5.2380 3   78.7552280  5951614041711 7 0    1612 4 0      C-13-H3C(O)CH3
  183372.6658  0.3408 -7.2870 3 1081.3614500  595161404624022 4    623924 4      C-13-H3C(O)CH3
  183377.8260  0.2743 -6.1404 3 1188.3903524  595161404654223 3    654124 3      C-13-H3C(O)CH3
  183396.9539  0.0048 -6.0067 3  153.8792392  595161404241212 0    2315 9 0      C-13-H3C(O)CH3
  183405.5133  0.1072 -6.7975 3  833.8276872  595161404543718 1    543618 1      C-13-H3C(O)CH3
  183424.9554  0.0050 -6.0085 3  153.8764392  595161404241212 2    2315 9 2      C-13-H3C(O)CH3
  183427.3419  0.3650 -6.1518 3 1188.3923524  595161404654223 4    654124 4      C-13-H3C(O)CH3
  183439.5163  0.0064 -5.8403 3  115.8021344  595161404211111 1    2012 8 1      C-13-H3C(O)CH3
  183462.1064  0.2999 -6.0442 3 1118.5996508  595161404634122 4    634023 4      C-13-H3C(O)CH3
  183483.1687  0.0079 -5.4327 3   91.8253296  5951614041813 5 0    1714 4 0      C-13-H3C(O)CH3
  183485.4817  0.0057 -7.0269 3   43.5354108  59516140413 8 6 4    13 5 9 4      C-13-H3C(O)CH3
  183505.6897  0.0127 -7.2182 3  205.9637220  595161404271810 4    271512 4      C-13-H3C(O)CH3
  183514.8706  0.3198 -6.7935 3  921.9494460  595161404573819 4    573721 4      C-13-H3C(O)CH3
  183523.0996  0.0102 -6.9982 3  156.6139392  595161404241311 1    2316 7 1      C-13-H3C(O)CH3
  183524.7018  0.0049 -6.3108 3  153.8761196  595161404241212 3    2315 9 3      C-13-H3C(O)CH3
  183534.2646  0.0044 -7.0264 3   43.5354108  59516140413 8 6 3    13 5 9 3      C-13-H3C(O)CH3
  183559.4503  0.0052 -6.0097 3  153.8768392  595161404241212 1    2315 9 1      C-13-H3C(O)CH3
  183569.8325  0.0142 -7.1969 3  604.9295792  595161404491930 1    482227 1      C-13-H3C(O)CH3
  183569.8427  0.0142 -7.1969 3  604.9295792  595161404492030 1    482127 1      C-13-H3C(O)CH3
  183580.6800  0.0158 -7.1952 3  604.9282792  595161404491930 2    482227 2      C-13-H3C(O)CH3
  183580.6903  0.0158 -7.1952 3  604.9282792  595161404492030 2    482127 2      C-13-H3C(O)CH3
  183581.7618  0.0107 -5.0796 3   84.3123360  59516140422 121 2    22 122 2      C-13-H3C(O)CH3
  183581.7618  0.0107 -6.3503 3   84.3123360  59516140422 121 2    22 022 2      C-13-H3C(O)CH3
  183581.7618  0.0107 -6.3503 3   84.3123360  59516140422 221 2    22 122 2      C-13-H3C(O)CH3
  183581.7618  0.0107 -5.0796 3   84.3123360  59516140422 221 2    22 022 2      C-13-H3C(O)CH3
  183581.9019  0.0110 -5.8555 3   84.3128360  59516140422 121 1    22 122 1      C-13-H3C(O)CH3
  183581.9019  0.0110 -5.1324 3   84.3128360  59516140422 121 1    22 022 1      C-13-H3C(O)CH3
  183581.9019  0.0110 -5.1324 3   84.3128360  59516140422 221 1    22 122 1      C-13-H3C(O)CH3
  183581.9019  0.0110 -5.8555 3   84.3128360  59516140422 221 1    22 022 1      C-13-H3C(O)CH3
  183623.4427  0.0083 -5.5548 3   98.1861376  59516140423 221 0    23 122 0      C-13-H3C(O)CH3
  183623.4427  0.0083 -4.8737 3   98.1861376  59516140423 221 0    23 222 0      C-13-H3C(O)CH3
  183623.4427  0.0083 -5.5548 3   98.1861376  59516140423 321 0    23 222 0      C-13-H3C(O)CH3
  183623.4427  0.0083 -4.8737 3   98.1861376  59516140423 321 0    23 122 0      C-13-H3C(O)CH3
  183628.4356  0.0115 -7.1963 3  604.9458792  595161404491930 0    482227 0      C-13-H3C(O)CH3
  183628.4447  0.0115 -7.1963 3  604.9458792  595161404492030 0    482127 0      C-13-H3C(O)CH3
  183642.5278  0.0107 -7.2694 3  205.9765440  595161404271810 1    271512 1      C-13-H3C(O)CH3
  183654.0307  0.0053 -6.3140 3  153.8719196  595161404241212 4    2315 9 4      C-13-H3C(O)CH3
  183654.2091  0.0063 -5.8343 3  115.7917344  595161404211111 2    2012 8 2      C-13-H3C(O)CH3
  183661.3536  0.0258 -7.3665 3  405.3473616  595161404382414 0    372711 0      C-13-H3C(O)CH3
  183691.8959  0.0048 -4.7225 3  541.2434728  595161404452223 0    452124 0      C-13-H3C(O)CH3
  183693.2683  0.0059 -5.5616 3   78.7917140  5951614041711 7 3    1612 4 3      C-13-H3C(O)CH3
  183699.7894  0.0048 -4.7225 3  541.2435728  595161404452323 0    452224 0      C-13-H3C(O)CH3
  183712.8842  0.0068 -4.7223 3  541.2215728  595161404452223 2    452124 2      C-13-H3C(O)CH3
  183719.3289  0.0208 -6.4469 3  139.2226180  5951614042216 7 4    2213 9 4      C-13-H3C(O)CH3
  183721.3456  0.0067 -4.7223 3  541.2216728  595161404452323 2    452224 2      C-13-H3C(O)CH3
  183724.6263  0.0052 -4.7223 3  541.2237728  595161404452223 1    452124 1      C-13-H3C(O)CH3
  183732.8778  0.0052 -4.7222 3  541.2237728  595161404452323 1    452224 1      C-13-H3C(O)CH3
  183745.6830  0.0071 -5.0231 3  541.2017364  595161404452223 3    452124 3      C-13-H3C(O)CH3
  183745.7717  0.0071 -5.0231 3  541.2017364  595161404452223 4    452124 4      C-13-H3C(O)CH3
  183754.5313  0.0071 -5.0230 3  541.2017364  595161404452323 3    452224 3      C-13-H3C(O)CH3
  183754.5903  0.0071 -5.0230 3  541.2017364  595161404452323 4    452224 4      C-13-H3C(O)CH3
  183757.8202  0.0094 -5.7427 3   91.7549148  5951614041813 6 4    1714 4 4      C-13-H3C(O)CH3
  183768.3136  0.0084 -4.8350 3   26.2246168 -59516140410 8 3 1     9 7 2 1      C-13-H3C(O)CH3
  183768.9665  0.0049 -6.7199 3   43.4834216  59516140413 8 6 2    13 5 9 2      C-13-H3C(O)CH3
  183776.6685  0.0047 -6.7215 3   43.4843216  59516140413 8 6 1    13 5 9 1      C-13-H3C(O)CH3
  183800.9880  0.0061 -5.8310 3  115.7760344  595161404211111 0    2012 8 0      C-13-H3C(O)CH3
  183802.3785  0.0677 -5.4764 3  985.2565952  595161404593921 0    593822 0      C-13-H3C(O)CH3
  183809.9329  0.0159 -6.6443 3  186.3196424  595161404261511 2    2518 8 2      C-13-H3C(O)CH3
  183848.5729  0.0017 -4.3023 3   52.1819132 -59516140416 413 4    15 312 4      C-13-H3C(O)CH3
  183848.5729  0.0017 -4.3023 3   52.1819132 -59516140416 313 4    15 412 4      C-13-H3C(O)CH3
  183848.5729  0.0017 -4.3023 3   52.1819132 -59516140416 313 3    15 412 3      C-13-H3C(O)CH3
  183848.5729  0.0017 -4.3023 3   52.1819132 -59516140416 413 3    15 312 3      C-13-H3C(O)CH3
  183870.9218  0.0189 -5.3028 3  354.3273268  5951614043331 3 4    3330 4 4      C-13-H3C(O)CH3
  183896.8451  0.0018 -4.0011 3   52.1300264 -59516140416 313 1    15 412 1      C-13-H3C(O)CH3
  183896.8451  0.0018 -4.0011 3   52.1300264 -59516140416 413 1    15 312 1      C-13-H3C(O)CH3
  183897.2857  0.0018 -4.0011 3   52.1293264 -59516140416 313 2    15 412 2      C-13-H3C(O)CH3
  183897.2857  0.0018 -4.0011 3   52.1293264 -59516140416 413 2    15 312 2      C-13-H3C(O)CH3
  183898.0647  0.0727 -5.5240 3  985.2853952  595161404593921 1    593822 1      C-13-H3C(O)CH3
  183905.3433  1.8148 -6.9481 3 1782.7359C88  595161404805030 2    804931 2      C-13-H3C(O)CH3
  183908.5354  0.0685 -5.5302 3  985.2858952  595161404593921 2    593822 2      C-13-H3C(O)CH3
  183916.8804  0.0104 -5.7824 3   84.2419360  59516140422 221 0    22 022 0      C-13-H3C(O)CH3
  183916.8804  0.0104 -5.1450 3   84.2419360  59516140422 221 0    22 122 0      C-13-H3C(O)CH3
  183916.8804  0.0104 -5.1450 3   84.2419360  59516140422 121 0    22 022 0      C-13-H3C(O)CH3
  183916.8804  0.0104 -5.7824 3   84.2419360  59516140422 121 0    22 122 0      C-13-H3C(O)CH3
  183942.1886  1.4521 -6.9477 3 1782.7337C88  595161404805030 0    804931 0      C-13-H3C(O)CH3
  183945.3952  0.0017 -4.0009 3   52.0775264 -59516140416 313 0    15 412 0      C-13-H3C(O)CH3
  183945.3952  0.0017 -4.0009 3   52.0775264 -59516140416 413 0    15 312 0      C-13-H3C(O)CH3
  183962.0173  0.0098 -4.7777 3   26.2234168  59516140410 8 3 2     9 7 2 2      C-13-H3C(O)CH3
  184007.7617  0.0117 -5.9509 3   91.8313148  5951614041813 5 3    1714 3 3      C-13-H3C(O)CH3
  184013.3711  0.0414 -5.2310 3  833.7891872  595161404543717 0    543618 0      C-13-H3C(O)CH3
  184014.9868  0.0150 -5.0016 3  354.3933536  5951614043331 3 2    3330 4 2      C-13-H3C(O)CH3
  184018.1441  0.0810 -5.8254 3  985.3097476  595161404593921 4    593822 4      C-13-H3C(O)CH3
  184035.6243  0.0047 -6.7157 3   43.4325216  59516140413 8 6 0    13 5 9 0      C-13-H3C(O)CH3
  184078.4357  0.0166 -5.3021 3  354.3359268  5951614043331 3 3    3330 4 3      C-13-H3C(O)CH3
  184125.5080  0.2105 -6.0581 3 1321.5064B12  595161404694228 0    694129 0      C-13-H3C(O)CH3
  184134.2351  0.0162 -5.0012 3  354.3775536  5951614043331 3 1    3330 4 1      C-13-H3C(O)CH3
  184146.5198  0.0069 -6.6885 3  266.1330260  595161404321418 4    311715 4      C-13-H3C(O)CH3
  184146.6727  0.0066 -6.6885 3  266.1330260  595161404321418 3    311715 3      C-13-H3C(O)CH3
  184151.7206  0.0067 -6.3872 3  266.1556520  595161404321418 1    311715 1      C-13-H3C(O)CH3
  184152.3080  0.0463 -5.2425 3  833.8276872  595161404543717 1    543618 1      C-13-H3C(O)CH3
  184154.8487  0.0301 -5.4767 3  827.7891444  595161404553125 4    553026 4      C-13-H3C(O)CH3
  184155.5676  0.0298 -5.4767 3  827.7891444  595161404553125 3    553026 3      C-13-H3C(O)CH3
  184156.3366  0.1204 -6.3935 3  833.8522436  595161404543718 3    543618 3      C-13-H3C(O)CH3
  184163.1856  0.0165 -5.3019 3  354.3564268  5951614043331 2 3    3330 3 3      C-13-H3C(O)CH3
  184168.1703  0.0289 -5.1757 3  827.7877888  595161404553125 2    553026 2      C-13-H3C(O)CH3
  184174.4819  0.0238 -5.1757 3  827.7880888  595161404553125 1    553026 1      C-13-H3C(O)CH3
  184187.8107  0.0226 -5.1758 3  827.7866888  595161404553125 0    553026 0      C-13-H3C(O)CH3
  184191.3140  0.0183 -6.6568 3  153.2299360  5951614042220 3 0    2121 0 0      C-13-H3C(O)CH3
  184191.3158  0.0183 -6.6568 3  153.2299360  5951614042220 2 0    2121 1 0      C-13-H3C(O)CH3
  184196.9299  0.0373 -5.2383 3  833.8377872  595161404543717 2    543618 2      C-13-H3C(O)CH3
  184208.7816  0.0388 -5.5339 3  833.8813436  595161404543717 4    543618 4      C-13-H3C(O)CH3
  184213.5067  0.1854 -6.0579 3 1321.5193B12  595161404694228 2    694129 2      C-13-H3C(O)CH3
  184215.7547  0.0067 -6.3841 3  266.1504520  595161404321418 2    311715 2      C-13-H3C(O)CH3
  184220.1959  0.0059 -6.5492 3   70.5226132  5951614041611 6 4    16 8 9 4      C-13-H3C(O)CH3
  184220.5700  0.0058 -6.3838 3  266.1729520  595161404321418 0    311715 0      C-13-H3C(O)CH3
  184224.0981  0.0146 -5.0009 3  354.4017536  5951614043331 2 2    3330 3 2      C-13-H3C(O)CH3
  184224.4205  0.0163 -6.1276 3   91.8241148  5951614041813 5 3    1714 4 3      C-13-H3C(O)CH3
  184238.3751  0.0791 -5.7805 3  985.3204476  595161404593921 3    593822 3      C-13-H3C(O)CH3
  184280.8181  0.0149 -5.0010 3  354.4434536  5951614043331 2 0    3330 3 0      C-13-H3C(O)CH3
  184280.8181  0.0149 -5.0010 3  354.4434536  5951614043331 3 0    3330 4 0      C-13-H3C(O)CH3
  184285.1307  0.0191 -6.8388 3  186.3079212  595161404261511 3    2518 8 3      C-13-H3C(O)CH3
  184299.7051  0.0035 -4.7839 3  349.1785300 -595161404371622 4    371523 4      C-13-H3C(O)CH3
  184299.7051  0.0034 -4.7839 3  349.1785300 -595161404371522 3    371423 3      C-13-H3C(O)CH3
  184299.7051  0.0035 -4.7839 3  349.1785300 -595161404371522 4    371423 4      C-13-H3C(O)CH3
  184299.7051  0.0034 -4.7839 3  349.1785300 -595161404371622 3    371523 3      C-13-H3C(O)CH3
  184303.0849  0.0033 -4.4829 3  349.2044600 -595161404371622 2    371523 2      C-13-H3C(O)CH3
  184303.0849  0.0033 -4.4829 3  349.2044600 -595161404371522 2    371423 2      C-13-H3C(O)CH3
  184312.9129  0.0033 -4.4829 3  349.2064600 -595161404371622 1    371523 1      C-13-H3C(O)CH3
  184312.9129  0.0033 -4.4829 3  349.2064600 -595161404371522 1    371423 1      C-13-H3C(O)CH3
  184313.5021  0.1895 -6.0575 3 1321.5170B12  595161404694228 1    694129 1      C-13-H3C(O)CH3
  184316.2491  0.0029 -4.4828 3  349.2323600 -595161404371622 0    371523 0      C-13-H3C(O)CH3
  184316.2491  0.0029 -4.4828 3  349.2323600 -595161404371522 0    371423 0      C-13-H3C(O)CH3
  184329.6425  0.0128 -5.1315 3  445.3760308  5951614043832 7 4    3831 8 4      C-13-H3C(O)CH3
  184338.8119  0.0566 -5.5951 3  833.8522436  595161404543717 3    543618 3      C-13-H3C(O)CH3
  184358.2653  0.0063 -6.8075 3   78.7695140  5951614041711 7 3    1612 5 3      C-13-H3C(O)CH3
  184362.0344  0.0126 -5.1313 3  445.3923308  5951614043832 7 3    3831 8 3      C-13-H3C(O)CH3
  184371.4258  0.0163 -5.3011 3  354.3648268  5951614043331 2 4    3330 3 4      C-13-H3C(O)CH3
  184378.2684  0.0405 -5.2293 3  833.7752872  595161404543718 0    543619 0      C-13-H3C(O)CH3
  184400.3362  0.1156 -6.3583 3 1321.5300556  595161404694228 4    694129 4      C-13-H3C(O)CH3
  184404.0263  0.1292 -6.3582 3 1321.5301556  595161404694228 3    694129 3      C-13-H3C(O)CH3
  184408.3438  0.1375 -5.8810 3 1057.8579500  595161404623527 3    623428 3      C-13-H3C(O)CH3
  184409.2429  0.1368 -5.8810 3 1057.8580500  595161404623527 4    623428 4      C-13-H3C(O)CH3
  184424.2715  0.0151 -7.0975 3   67.3238248  5951614041513 3 1    1510 5 1      C-13-H3C(O)CH3
  184428.4585  0.0148 -5.0003 3  354.4064536  5951614043331 2 1    3330 3 1      C-13-H3C(O)CH3
  184440.9547  0.0106 -4.8303 3  445.4186616  5951614043832 7 2    3831 8 2      C-13-H3C(O)CH3
  184451.8194  1.6127 -7.2469 3 1782.7325644  595161404805030 4    804931 4      C-13-H3C(O)CH3
  184457.6700  0.0409 -5.2412 3  833.7925872  595161404543718 1    543619 1      C-13-H3C(O)CH3
  184458.4651  1.6214 -7.2471 3 1782.7328644  595161404805030 3    804931 3      C-13-H3C(O)CH3
  184466.0957  0.0180 -6.6558 3  153.1458360  5951614042220 3 1    2121 1 1      C-13-H3C(O)CH3
  184466.1027  0.0113 -4.8302 3  445.3998616  5951614043832 7 1    3831 8 1      C-13-H3C(O)CH3
  184473.7849  0.0109 -4.8302 3  445.4348616  5951614043832 6 2    3831 7 2      C-13-H3C(O)CH3
  184492.0618  1.3913 -6.9456 3 1782.7305C88  595161404805030 1    804931 1      C-13-H3C(O)CH3
  184505.5305  0.0126 -5.1309 3  445.4029308  5951614043832 6 3    3831 7 3      C-13-H3C(O)CH3
  184529.4361  0.0075 -6.5598 3  219.6541236  595161404291416 4    281513 4      C-13-H3C(O)CH3
  184535.7745  0.0072 -6.5598 3  219.6538236  595161404291416 3    281513 3      C-13-H3C(O)CH3
  184537.1370  0.0136 -5.1308 3  445.4191308  5951614043832 6 4    3831 7 4      C-13-H3C(O)CH3
  184537.8358  0.0065 -6.2582 3  219.6700472  595161404291416 1    281513 1      C-13-H3C(O)CH3
  184541.6676  0.0165 -6.6540 3  153.2127360  5951614042220 2 2    2121 0 2      C-13-H3C(O)CH3
  184548.0631  0.0489 -5.2369 3  833.7953872  595161404543718 2    543619 2      C-13-H3C(O)CH3
  184548.5101  0.0125 -5.1520 3  528.5786340  595161404423310 3    423211 3      C-13-H3C(O)CH3
  184569.1438  0.1003 -5.5794 3 1057.8478A00  595161404623527 1    623428 1      C-13-H3C(O)CH3
  184569.2875  0.0019 -4.6548 3   41.7493108 -59516140413 7 7 4    12 6 6 4      C-13-H3C(O)CH3
  184579.3305  0.0110 -4.8301 3  445.4423616  5951614043832 6 0    3831 7 0      C-13-H3C(O)CH3
  184579.3314  0.0110 -4.8301 3  445.4423616  5951614043832 7 0    3831 8 0      C-13-H3C(O)CH3
  184584.0482  0.2253 -6.0722 3 1327.6482B12  595161404694327 0    694228 0      C-13-H3C(O)CH3
  184596.6219  0.0026 -4.6547 3   41.7485108 -59516140413 7 7 3    12 6 6 3      C-13-H3C(O)CH3
  184598.0130  0.0105 -7.1425 3  449.6885340  595161404421725 4    412022 4      C-13-H3C(O)CH3
  184598.0764  0.0105 -7.1425 3  449.6885340  595161404421725 3    412022 3      C-13-H3C(O)CH3
  184599.3938  0.0036 -4.5922 3   26.2659 84 -59516140410 8 3 3     9 7 2 3      C-13-H3C(O)CH3
  184599.6677  0.0105 -7.1425 3  449.6884340  595161404421825 4    411922 4      C-13-H3C(O)CH3
  184599.7380  0.0105 -7.1425 3  449.6885340  595161404421825 3    411922 3      C-13-H3C(O)CH3
  184600.2611  0.1434 -5.5792 3 1057.8503A00  595161404623527 2    623428 2      C-13-H3C(O)CH3
  184606.2946  0.0116 -4.8510 3  528.6030680  5951614044233 9 2    423210 2      C-13-H3C(O)CH3
  184606.5658  0.0162 -6.6616 3  186.3066424  595161404261511 1    2518 8 1      C-13-H3C(O)CH3
  184615.7984  0.0176 -6.6541 3  153.1941360  5951614042220 2 1    2121 0 1      C-13-H3C(O)CH3
  184617.7758  0.0148 -5.1518 3  528.6059340  5951614044233 9 4    423210 4      C-13-H3C(O)CH3
  184618.8407  0.0103 -6.8419 3  449.7159680  595161404421725 1    412022 1      C-13-H3C(O)CH3
  184620.3855  0.0103 -6.8419 3  449.7158680  595161404421825 1    411922 1      C-13-H3C(O)CH3
  184623.1664  0.0519 -5.5939 3  833.8366436  595161404543718 3    543619 3      C-13-H3C(O)CH3
  184635.9396  0.0185 -6.6542 3  153.1516360  5951614042220 3 2    2121 1 2      C-13-H3C(O)CH3
  184639.7763  0.0120 -5.1517 3  528.5535340  595161404423310 4    423211 4      C-13-H3C(O)CH3
  184642.4977  0.0112 -4.8296 3  445.4266616  5951614043832 6 1    3831 7 1      C-13-H3C(O)CH3
  184643.9340  0.0075 -5.4649 3  174.8061408  5951614042516 9 2    251312 2      C-13-H3C(O)CH3
  184644.0354  0.0056 -5.4630 3  174.8121408  5951614042516 9 0    251312 0      C-13-H3C(O)CH3
  184647.2459  0.0106 -6.8397 3  449.7131680  595161404421725 2    412022 2      C-13-H3C(O)CH3
  184648.8484  0.0106 -6.8397 3  449.7131680  595161404421825 2    411922 2      C-13-H3C(O)CH3
  184656.9481  0.0109 -4.8507 3  528.5611680  595161404423310 1    423211 1      C-13-H3C(O)CH3
  184667.8717  0.0090 -6.8403 3  449.7404680  595161404421725 0    412022 0      C-13-H3C(O)CH3
  184669.3622  0.0090 -6.8402 3  449.7404680  595161404421825 0    411922 0      C-13-H3C(O)CH3
  184673.8777  0.1746 -5.9813 3 1281.2990A96  595161404684128 0    684029 0      C-13-H3C(O)CH3
  184678.9817  0.0064 -6.2545 3  219.6620472  595161404291416 2    281513 2      C-13-H3C(O)CH3
  184682.2953  0.0055 -6.2540 3  219.6781472  595161404291416 0    281513 0      C-13-H3C(O)CH3
  184697.9682  0.0107 -4.8507 3  528.5781680  595161404423310 2    423211 2      C-13-H3C(O)CH3
  184698.0637  0.0108 -5.7698 3  174.8064204  5951614042516 9 3    251312 3      C-13-H3C(O)CH3
  184702.8540  0.0077 -5.6359 3   78.7327280  5951614041711 7 2    1612 5 2      C-13-H3C(O)CH3
  184709.1477  0.0074 -5.4675 3  174.8124408  5951614042516 9 1    251312 1      C-13-H3C(O)CH3
  184710.3822  0.0129 -5.1515 3  528.5810340  5951614044233 9 3    423210 3      C-13-H3C(O)CH3
  184716.1609  0.0108 -4.8507 3  528.5854680  5951614044233 9 0    423210 0      C-13-H3C(O)CH3
  184716.1801  0.0023 -4.3536 3   41.6994216 -59516140413 7 7 1    12 6 6 1      C-13-H3C(O)CH3
  184716.2571  0.0108 -4.8507 3  528.5854680  595161404423310 0    423211 0      C-13-H3C(O)CH3
  184718.1528  0.0036 -6.5176 3   70.5226132  5951614041611 6 3    16 8 9 3      C-13-H3C(O)CH3
  184721.4221  0.0065 -5.7710 3  174.8066204  5951614042516 9 4    251312 4      C-13-H3C(O)CH3
  184727.1101  0.0119 -4.8505 3  528.5884680  5951614044233 9 1    423210 1      C-13-H3C(O)CH3
  184732.3313  0.1363 -5.9811 3 1281.3118A96  595161404684128 2    684029 2      C-13-H3C(O)CH3
  184737.9060  0.1603 -6.4552 3  985.2853952  595161404593920 1    593822 1      C-13-H3C(O)CH3
  184744.2484  0.2585 -6.0717 3 1327.6640B12  595161404694327 2    694228 2      C-13-H3C(O)CH3
  184752.5965  0.0567 -5.5318 3  833.8076436  595161404543718 4    543619 4      C-13-H3C(O)CH3
  184758.2507  0.1035 -5.5786 3 1057.8402A00  595161404623527 0    623428 0      C-13-H3C(O)CH3
  184762.9888  0.0027 -4.3539 3   41.6963216 -59516140413 7 7 2    12 6 6 2      C-13-H3C(O)CH3
  184803.0162  0.1600 -5.9808 3 1281.3088A96  595161404684128 1    684029 1      C-13-H3C(O)CH3
  184805.6417  0.1413 -6.3903 3  833.8366436  595161404543717 3    543619 3      C-13-H3C(O)CH3
  184806.0484  0.1520 -5.8811 3 1220.6554A64  595161404664225 0    664126 0      C-13-H3C(O)CH3
  184812.9927  0.0182 -6.9541 3  153.1286180  5951614042220 2 3    2121 0 3      C-13-H3C(O)CH3
  184813.2527  0.0144 -6.1960 3  139.2149360  5951614042216 7 1    2213 9 1      C-13-H3C(O)CH3
  184829.4051  0.0043 -6.2246 3   70.4888264  5951614041611 6 1    16 8 9 1      C-13-H3C(O)CH3
  184840.4448  0.2445 -6.4045 3  985.2858952  595161404593920 2    593822 2      C-13-H3C(O)CH3
  184860.7668  0.0824 -6.2817 3 1281.3217548  595161404684128 4    684029 4      C-13-H3C(O)CH3
  184864.2360  0.0899 -6.2817 3 1281.3218548  595161404684128 3    684029 3      C-13-H3C(O)CH3
  184867.4062  0.0148 -4.9259 3  677.4448808  595161404502624 2    502525 2      C-13-H3C(O)CH3
  184867.7244  0.2017 -6.0713 3 1327.6650B12  595161404694327 1    694228 1      C-13-H3C(O)CH3
  184868.0226  0.0093 -4.9260 3  677.4551808  595161404502624 0    502525 0      C-13-H3C(O)CH3
  184877.8969  0.0154 -5.2267 3  677.4360404  595161404502624 3    502525 3      C-13-H3C(O)CH3
  184878.0885  0.0156 -5.2267 3  677.4359404  595161404502624 4    502525 4      C-13-H3C(O)CH3
  184878.6577  0.0099 -4.9258 3  677.4462808  595161404502624 1    502525 1      C-13-H3C(O)CH3
  184880.6873  0.0153 -7.0864 3   67.3199248  5951614041513 3 2    1510 5 2      C-13-H3C(O)CH3
  184895.5533  0.0022 -4.3538 3   41.6469216 -59516140413 7 7 0    12 6 6 0      C-13-H3C(O)CH3
  184906.3062  0.0182 -6.9543 3  153.0677180  5951614042220 3 4    2121 1 4      C-13-H3C(O)CH3
  184909.2200  0.0019 -4.2284 3   54.4974140 -59516140417 315 4    16 214 4      C-13-H3C(O)CH3
  184909.2200  0.0019 -4.2284 3   54.4974140 -59516140417 315 3    16 214 3      C-13-H3C(O)CH3
  184909.2200  0.0019 -4.2284 3   54.4974140 -59516140417 215 4    16 314 4      C-13-H3C(O)CH3
  184909.2200  0.0019 -4.2284 3   54.4974140 -59516140417 215 3    16 314 3      C-13-H3C(O)CH3
  184944.7631  0.0021 -3.9271 3   54.4409280 -59516140417 315 1    16 214 1      C-13-H3C(O)CH3
  184944.7631  0.0021 -3.9271 3   54.4409280 -59516140417 215 1    16 314 1      C-13-H3C(O)CH3
  184944.7631  0.0020 -3.9272 3   54.4403280 -59516140417 315 2    16 214 2      C-13-H3C(O)CH3
  184944.7631  0.0020 -3.9272 3   54.4403280 -59516140417 215 2    16 314 2      C-13-H3C(O)CH3
  184946.8498  0.0044 -6.2211 3   70.4869264  5951614041611 6 2    16 8 9 2      C-13-H3C(O)CH3
  184952.0027  0.0181 -7.3419 3   67.3553124  5951614041513 3 3    1510 5 3      C-13-H3C(O)CH3
  184963.7933  0.0202 -6.9524 3  153.1768180  5951614042220 2 4    2121 0 4      C-13-H3C(O)CH3
  184963.9816  0.0091 -4.9256 3  677.4555808  595161404502724 0    502625 0      C-13-H3C(O)CH3
  184969.2385  0.0140 -4.9254 3  677.4452808  595161404502724 2    502625 2      C-13-H3C(O)CH3
  184971.3162  0.0216 -5.4382 3  338.8281260  5951614043231 2 4    3230 3 4      C-13-H3C(O)CH3
  184972.8139  0.0074 -5.6062 3   78.7245280  5951614041711 7 1    1612 5 1      C-13-H3C(O)CH3
  184979.2763  0.0100 -4.9254 3  677.4467808  595161404502724 1    502625 1      C-13-H3C(O)CH3
  184979.9722  0.0069 -6.3828 3  266.1280520  595161404321518 1    311615 1      C-13-H3C(O)CH3
  184980.2248  0.0019 -3.9269 3   54.3840280 -59516140417 315 0    16 214 0      C-13-H3C(O)CH3
  184980.2248  0.0019 -3.9269 3   54.3840280 -59516140417 215 0    16 314 0      C-13-H3C(O)CH3
  184984.6406  0.0147 -5.2262 3  677.4364404  595161404502724 4    502625 4      C-13-H3C(O)CH3
  184984.6943  0.0073 -6.6841 3  266.1051260  595161404321518 4    311615 4      C-13-H3C(O)CH3
  184984.6991  0.0146 -5.2262 3  677.4364404  595161404502724 3    502625 3      C-13-H3C(O)CH3
  184986.5279  0.0070 -6.6841 3  266.1051260  595161404321518 3    311615 3      C-13-H3C(O)CH3
  185023.9049  0.1855 -5.8809 3 1220.6776A64  595161404664225 2    664126 2      C-13-H3C(O)CH3
  185024.5479  0.1990 -6.3720 3 1327.6809556  595161404694327 4    694228 4      C-13-H3C(O)CH3
  185030.8679  0.2304 -6.3718 3 1327.6811556  595161404694327 3    694228 3      C-13-H3C(O)CH3
  185047.3567  0.0029 -4.2712 3   26.1598168 -59516140410 8 3 0     9 7 2 0      C-13-H3C(O)CH3
  185051.4815  0.0468 -5.6962 3  956.8678476  595161404593426 4    593327 4      C-13-H3C(O)CH3
  185053.0576  0.0463 -5.6961 3  956.8678476  595161404593426 3    593327 3      C-13-H3C(O)CH3
  185056.5601  0.0175 -6.9527 3  153.1158180  5951614042220 3 3    2121 1 3      C-13-H3C(O)CH3
  185060.8567  0.0059 -6.3795 3  266.1450520  595161404321518 0    311615 0      C-13-H3C(O)CH3
  185065.1103  0.0149 -6.9946 3  139.2218180  5951614042216 7 3    2213 9 3      C-13-H3C(O)CH3
  185067.4575  0.0068 -6.3796 3  266.1220520  595161404321518 2    311615 2      C-13-H3C(O)CH3
  185072.4766  0.0458 -5.3951 3  956.8609952  595161404593426 2    593327 2      C-13-H3C(O)CH3
  185076.6092  0.0444 -5.3951 3  956.8598952  595161404593426 1    593327 1      C-13-H3C(O)CH3
  185084.7632  0.1377 -5.8812 3 1220.6801A64  595161404664225 1    664126 1      C-13-H3C(O)CH3
  185087.9555  0.7159 -6.7193 3 1511.1364596  595161404744331 4    744232 4      C-13-H3C(O)CH3
  185088.1558  0.7181 -6.7193 3 1511.1364596  595161404744331 3    744232 3      C-13-H3C(O)CH3
  185088.9962  0.0141 -6.1144 3  135.2282344  5951614042118 4 0    2019 1 0      C-13-H3C(O)CH3
  185089.2046  0.0141 -6.1144 3  135.2282344  5951614042118 3 0    2019 2 0      C-13-H3C(O)CH3
  185096.7709  0.0083 -6.1045 3  156.5552392  595161404241311 0    2316 8 0      C-13-H3C(O)CH3
  185097.6146  0.0437 -5.3951 3  956.8529952  595161404593426 0    593327 0      C-13-H3C(O)CH3
  185111.7246  0.0174 -5.1370 3  338.8994520  5951614043231 2 2    3230 3 2      C-13-H3C(O)CH3
  185133.3515  0.0167 -7.2941 3   67.3553124  5951614041513 2 3    1510 5 3      C-13-H3C(O)CH3
  185147.7413  0.0061 -7.2814 3   35.7074100  59516140412 7 6 4    12 4 9 4      C-13-H3C(O)CH3
  185168.2943  0.0048 -7.2813 3   35.7074100  59516140412 7 6 3    12 4 9 3      C-13-H3C(O)CH3
  185173.7832  0.0156 -6.4721 3   91.7962296  5951614041813 5 2    1714 4 2      C-13-H3C(O)CH3
  185204.4647  0.1236 -6.7889 3  833.7925872  595161404543717 1    543619 1      C-13-H3C(O)CH3
  185212.6629  0.5776 -6.4178 3 1511.1289B92  595161404744331 1    744232 1      C-13-H3C(O)CH3
  185223.1456  0.2454 -6.1309 3 1362.2589B28  595161404704328 0    704229 0      C-13-H3C(O)CH3
  185225.1175  0.0190 -5.4373 3  338.8370260  5951614043231 2 3    3230 3 3      C-13-H3C(O)CH3
  185257.0947  0.0032 -4.7617 3  326.9875292 -595161404361422 3    361323 3      C-13-H3C(O)CH3
  185257.0947  0.0033 -4.7617 3  326.9875292 -595161404361422 4    361323 4      C-13-H3C(O)CH3
  185257.0947  0.0032 -4.7617 3  326.9875292 -595161404361522 3    361423 3      C-13-H3C(O)CH3
  185257.0947  0.0033 -4.7617 3  326.9875292 -595161404361522 4    361423 4      C-13-H3C(O)CH3
  185257.5525  0.0191 -5.1365 3  338.8857520  5951614043231 2 1    3230 3 1      C-13-H3C(O)CH3
  185273.4626  0.0032 -4.4606 3  327.0119584 -595161404361422 2    361323 2      C-13-H3C(O)CH3
  185273.4626  0.0032 -4.4606 3  327.0119584 -595161404361522 2    361423 2      C-13-H3C(O)CH3
  185278.2469  0.0241 -6.9927 3  186.2754212  595161404261511 4    2518 8 4      C-13-H3C(O)CH3
  185282.7206  0.0032 -4.4606 3  327.0138584 -595161404361422 1    361323 1      C-13-H3C(O)CH3
  185282.7206  0.0032 -4.4606 3  327.0138584 -595161404361522 1    361423 1      C-13-H3C(O)CH3
  185285.8070  0.1484 -6.1833 3 1220.7020532  595161404664225 4    664126 4      C-13-H3C(O)CH3
  185286.8905  0.0190 -5.4372 3  338.8596260  5951614043231 1 3    3230 2 3      C-13-H3C(O)CH3
  185299.0414  0.0028 -4.4605 3  327.0382584 -595161404361522 0    361423 0      C-13-H3C(O)CH3
  185299.0414  0.0028 -4.4605 3  327.0382584 -595161404361422 0    361323 0      C-13-H3C(O)CH3
  185316.3106  0.0041 -6.8525 3   14.5366136  595161404 8 6 2 1     7 3 4 1      C-13-H3C(O)CH3
  185317.9582  0.2030 -6.1806 3 1220.7029532  595161404664225 3    664126 3      C-13-H3C(O)CH3
  185323.7193  0.0046 -6.9343 3   14.5352136  595161404 8 6 2 2     7 3 4 2      C-13-H3C(O)CH3
  185325.3157  0.0035 -6.2097 3   70.4532264  5951614041611 6 0    16 8 9 0      C-13-H3C(O)CH3
  185333.5878  0.2444 -6.1305 3 1362.2721B28  595161404704328 2    704229 2      C-13-H3C(O)CH3
  185336.0418  0.0125 -6.1122 3  135.2300344  5951614042118 3 2    2019 1 2      C-13-H3C(O)CH3
  185337.4634  0.0023 -6.0142 3   26.2659 84  59516140410 8 2 3     9 7 2 3      C-13-H3C(O)CH3
  185367.3906  0.0168 -5.1361 3  338.9083520  5951614043231 1 2    3230 2 2      C-13-H3C(O)CH3
  185382.2789  0.0098 -6.1432 3  156.5434392  595161404241311 2    2316 8 2      C-13-H3C(O)CH3
  185400.4855  0.0172 -5.1363 3  338.9570520  5951614043231 2 0    3230 3 0      C-13-H3C(O)CH3
  185400.4855  0.0172 -5.1363 3  338.9570520  5951614043231 1 0    3230 2 0      C-13-H3C(O)CH3
  185419.0629  0.0054 -6.9743 3   35.6498200  59516140412 7 6 2    12 4 9 2      C-13-H3C(O)CH3
  185428.0979  0.0038 -6.7213 3   14.6031 68  595161404 8 6 2 4     7 3 4 4      C-13-H3C(O)CH3
  185435.5596  0.0053 -6.9761 3   35.6505200  59516140412 7 6 1    12 4 9 1      C-13-H3C(O)CH3
  185436.1094  0.0044 -4.6789 3  514.4398712  595161404442123 0    442024 0      C-13-H3C(O)CH3
  185438.9510  0.0044 -4.6789 3  514.4398712  595161404442223 0    442124 0      C-13-H3C(O)CH3
  185442.7724  0.0139 -6.1129 3  135.1515344  5951614042118 4 1    2019 2 1      C-13-H3C(O)CH3
  185453.3679  0.7743 -6.4169 3 1511.1389B92  595161404744331 2    744232 2      C-13-H3C(O)CH3
  185459.0441  0.0059 -4.6787 3  514.4158712  595161404442123 2    442024 2      C-13-H3C(O)CH3
  185461.7502  0.2193 -6.1301 3 1362.2710B28  595161404704328 1    704229 1      C-13-H3C(O)CH3
  185462.1048  0.0059 -4.6787 3  514.4158712  595161404442223 2    442124 2      C-13-H3C(O)CH3
  185469.8496  0.1620 -6.9617 3  833.7953872  595161404543717 2    543619 2      C-13-H3C(O)CH3
  185470.0916  0.0048 -4.6787 3  514.4179712  595161404442123 1    442024 1      C-13-H3C(O)CH3
  185473.0655  0.0048 -4.6787 3  514.4179712  595161404442223 1    442124 1      C-13-H3C(O)CH3
  185477.5420  0.0135 -6.1119 3  135.2137344  5951614042118 3 1    2019 1 1      C-13-H3C(O)CH3
  185493.1052  0.0061 -4.9795 3  514.3939356  595161404442123 3    442024 3      C-13-H3C(O)CH3
  185493.1718  0.0062 -4.9795 3  514.3939356  595161404442123 4    442024 4      C-13-H3C(O)CH3
  185496.3096  0.0061 -4.9795 3  514.3939356  595161404442223 3    442124 3      C-13-H3C(O)CH3
  185496.3638  0.0062 -4.9795 3  514.3939356  595161404442223 4    442124 4      C-13-H3C(O)CH3
  185510.6726  0.0138 -6.2273 3  139.2031360  5951614042216 7 2    2213 9 2      C-13-H3C(O)CH3
  185533.7091  0.0141 -6.1117 3  135.1623344  5951614042118 4 2    2019 2 2      C-13-H3C(O)CH3
  185541.9721  0.0187 -5.4363 3  338.8685260  5951614043231 1 4    3230 2 4      C-13-H3C(O)CH3
  185558.3961  0.0662 -5.6383 3 1094.8253A16  595161404633727 2    633628 2      C-13-H3C(O)CH3
  185562.5282  0.0625 -5.9393 3 1094.8348508  595161404633727 4    633628 4      C-13-H3C(O)CH3
  185565.0768  0.0619 -5.9393 3 1094.8348508  595161404633727 3    633628 3      C-13-H3C(O)CH3
  185566.6005  0.0799 -5.6383 3 1094.8135A16  595161404633727 0    633628 0      C-13-H3C(O)CH3
  185570.7541  0.0783 -5.6383 3 1094.8229A16  595161404633727 1    633628 1      C-13-H3C(O)CH3
  185570.9079  0.1684 -6.4308 3 1362.2843564  595161404704328 4    704229 4      C-13-H3C(O)CH3
  185573.9681  0.1879 -6.4307 3 1362.2843564  595161404704328 3    704229 3      C-13-H3C(O)CH3
  185575.4662  0.0173 -5.1355 3  338.9172520  5951614043231 1 1    3230 2 1      C-13-H3C(O)CH3
  185577.6623  0.6000 -6.4164 3 1511.1315B92  595161404744331 0    744232 0      C-13-H3C(O)CH3
  185584.7296  0.3766 -6.7476 3  985.3097476  595161404593920 4    593822 4      C-13-H3C(O)CH3
  185586.6593  0.0157 -6.5810 3   91.7844296  5951614041813 5 1    1714 4 1      C-13-H3C(O)CH3
  185624.6111  0.0144 -6.1331 3  139.2218180  5951614042216 6 3    2213 9 3      C-13-H3C(O)CH3
  185631.6803  0.0063 -7.2944 3   28.4061184  59516140411 5 6 2    11 2 9 2      C-13-H3C(O)CH3
  185667.6421  0.0100 -6.4076 3  156.5399196  595161404241311 3    2316 8 3      C-13-H3C(O)CH3
  185673.0983  0.0063 -7.2962 3   28.4067184  59516140411 5 6 1    11 2 9 1      C-13-H3C(O)CH3
  185687.3851  0.0145 -6.4118 3  135.1532172  5951614042118 4 3    2019 1 3      C-13-H3C(O)CH3
  185696.3524  0.0053 -6.9700 3   35.5931200  59516140412 7 6 0    12 4 9 0      C-13-H3C(O)CH3
  185724.1772  0.0164 -6.4107 3  135.2154172  5951614042118 3 4    2019 1 4      C-13-H3C(O)CH3
  185748.1245  0.0026 -4.6241 3   26.1776 84  59516140410 8 3 4     9 7 3 4      C-13-H3C(O)CH3
  185781.9743  0.1554 -6.6890 3  894.0472904  595161404563819 2    563719 2      C-13-H3C(O)CH3
  185788.8456  0.0067 -4.7973 3   51.2232232 -59516140414 8 6 0    13 9 5 0      C-13-H3C(O)CH3
  185821.4290  0.0026 -4.4100 3   26.2246168 -59516140410 8 2 1     9 7 2 1      C-13-H3C(O)CH3
  185827.2181  0.0028 -4.4330 3   26.2234168 -59516140410 8 2 2     9 7 2 2      C-13-H3C(O)CH3
  185840.1150  0.0020 -4.6183 3   26.2991 84  59516140410 8 2 4     9 7 2 4      C-13-H3C(O)CH3
  185855.9625  0.0105 -6.1593 3  156.5361392  595161404241311 1    2316 8 1      C-13-H3C(O)CH3
  185877.7769  0.1300 -6.5704 3  894.0400904  595161404563819 1    563719 1      C-13-H3C(O)CH3
  185882.2984  0.0145 -6.4113 3  135.0856172  5951614042118 4 4    2019 2 4      C-13-H3C(O)CH3
  185902.2362  0.0154 -5.2116 3  597.8975364  595161404453411 4    453312 4      C-13-H3C(O)CH3
  185903.3827  0.0061 -7.2900 3   28.3436184  59516140411 5 6 0    11 2 9 0      C-13-H3C(O)CH3
  185904.0750  0.0095 -5.8054 3   78.7135140  5951614041711 7 4    1612 5 4      C-13-H3C(O)CH3
  185909.7160  0.0131 -5.2115 3  597.8691364  595161404453412 3    453312 3      C-13-H3C(O)CH3
  185912.5505  0.0215 -5.4031 3  750.5022412  595161404513615 4    513516 4      C-13-H3C(O)CH3
  185916.0005  0.0125 -4.9106 3  597.8813728  595161404453411 2    453312 2      C-13-H3C(O)CH3
  185919.6265  0.0140 -6.4102 3  135.1477172  5951614042118 3 3    2019 2 3      C-13-H3C(O)CH3
  185927.6569  0.0837 -5.5815 3 1050.7316984  595161404614022 0    613923 0      C-13-H3C(O)CH3
  185938.5278  0.0271 -5.1018 3  750.4139824  595161404513615 0    513516 0      C-13-H3C(O)CH3
  185939.8521  0.0278 -5.1023 3  750.4504824  595161404513615 1    513516 1      C-13-H3C(O)CH3
  185940.0152  0.1173 -7.2953 3  750.4717412  595161404513616 3    513516 3      C-13-H3C(O)CH3
  185940.6402  0.0226 -5.1021 3  750.4646824  595161404513615 2    513516 2      C-13-H3C(O)CH3
  185949.0855  1.5299 -7.3363 3 1992.8373D68  595161404855035 1    854936 1      C-13-H3C(O)CH3
  185961.6756  0.0247 -5.6996 3  323.8313252  5951614043131 1 4    3130 2 4      C-13-H3C(O)CH3
  185965.5929  0.0140 -5.1514 3  427.3664300  5951614043732 6 4    3731 7 4      C-13-H3C(O)CH3
  185975.5417  0.0072 -4.8015 3   51.2586232 -59516140414 8 6 2    13 9 5 2      C-13-H3C(O)CH3
  185989.9265  0.0023 -4.1852 3   56.2679148  59516140418 117 3    17 216 3      C-13-H3C(O)CH3
  185989.9265  0.0023 -4.1830 3   56.2679148  59516140418 217 3    17 116 3      C-13-H3C(O)CH3
  185989.9593  0.0022 -4.1652 3   56.2680148  59516140418 117 4    17 216 4      C-13-H3C(O)CH3
  185989.9593  0.0022 -6.5855 3   56.2680148  59516140418 217 4    17 216 4      C-13-H3C(O)CH3
  185989.9653  0.0023 -5.4786 3   56.2679148 -59516140418 217 3    17 216 3      C-13-H3C(O)CH3
  185989.9653  0.0022 -4.1636 3   56.2680148 -59516140418 217 4    17 116 4      C-13-H3C(O)CH3
  185989.9653  0.0023 -5.5226 3   56.2679148 -59516140418 117 3    17 116 3      C-13-H3C(O)CH3
  185999.4661  0.0127 -4.9103 3  597.8649728  595161404453411 1    453312 1      C-13-H3C(O)CH3
  186001.3989  0.0270 -5.1015 3  750.4115824  595161404513616 0    513517 0      C-13-H3C(O)CH3
  186006.3915  0.0122 -4.9102 3  597.8366728  595161404453412 1    453313 1      C-13-H3C(O)CH3
  186011.6612  0.0025 -5.0579 3   56.2050296  59516140418 117 1    17 116 1      C-13-H3C(O)CH3
  186011.6612  0.0025 -5.0589 3   56.2050296  59516140418 217 1    17 216 1      C-13-H3C(O)CH3
  186011.7394  0.0025 -3.8910 3   56.2050296 -59516140418 217 1    17 116 1      C-13-H3C(O)CH3
  186011.7394  0.0023 -3.8636 3   56.2045296 -59516140418 217 2    17 116 2      C-13-H3C(O)CH3
  186011.7394  0.0025 -3.8909 3   56.2050296 -59516140418 117 1    17 216 1      C-13-H3C(O)CH3
  186011.7394  0.0023 -3.8624 3   56.2045296 -59516140418 117 2    17 216 2      C-13-H3C(O)CH3
  186011.7970  0.0023 -6.3822 3   56.2045296  59516140418 217 2    17 216 2      C-13-H3C(O)CH3
  186013.3346  0.0117 -4.9104 3  597.8487728  595161404453411 0    453312 0      C-13-H3C(O)CH3
  186014.3802  0.0117 -4.9103 3  597.8486728  595161404453412 0    453313 0      C-13-H3C(O)CH3
  186024.9802  0.0186 -6.9995 3  171.1489204  595161404251411 4    2417 7 4      C-13-H3C(O)CH3
  186033.4692  0.0022 -4.3407 3   56.1418296  59516140418 117 0    17 116 0      C-13-H3C(O)CH3
  186033.4692  0.0022 -4.3426 3   56.1418296  59516140418 217 0    17 216 0      C-13-H3C(O)CH3
  186033.4736  0.0022 -4.0376 3   56.1418296 -59516140418 217 0    17 116 0      C-13-H3C(O)CH3
  186033.4736  0.0022 -4.0366 3   56.1418296 -59516140418 117 0    17 216 0      C-13-H3C(O)CH3
  186044.4600  0.0133 -5.1511 3  427.3811300  5951614043732 6 3    3731 7 3      C-13-H3C(O)CH3
  186052.4284  0.2154 -6.0673 3 1163.8083524  595161404653728 3    653629 3      C-13-H3C(O)CH3
  186053.1246  0.2141 -6.0673 3 1163.8083524  595161404653728 4    653629 4      C-13-H3C(O)CH3
  186066.9201  0.0137 -5.2111 3  597.8671364  595161404453411 3    453313 3      C-13-H3C(O)CH3
  186067.2944  0.0200 -5.4080 3  750.4717412  595161404513615 3    513516 3      C-13-H3C(O)CH3
  186072.9962  0.0137 -5.2110 3  597.8386364  595161404453412 4    453313 4      C-13-H3C(O)CH3
  186080.0447  0.0120 -4.9101 3  597.8508728  595161404453412 2    453313 2      C-13-H3C(O)CH3
  186081.1085  0.0861 -5.6084 3 1050.7622984  595161404614022 1    613923 1      C-13-H3C(O)CH3
  186083.1684  0.0112 -4.8503 3  427.4147600  5951614043732 6 2    3731 7 2      C-13-H3C(O)CH3
  186087.4643  0.0815 -5.6128 3 1050.7615984  595161404614022 2    613923 2      C-13-H3C(O)CH3
  186096.0655  0.0203 -5.3985 3  323.9079504  5951614043131 1 2    3130 2 2      C-13-H3C(O)CH3
  186101.5777  0.0272 -5.1016 3  750.4197824  595161404513616 1    513517 1      C-13-H3C(O)CH3
  186114.0932  0.0133 -6.9166 3  171.1403408  595161404251411 2    2417 7 2      C-13-H3C(O)CH3
  186125.6913  0.0030 -4.7431 3  305.3767284 -595161404351422 3    351323 3      C-13-H3C(O)CH3
  186125.6913  0.0032 -4.7431 3  305.3767284 -595161404351422 4    351323 4      C-13-H3C(O)CH3
  186125.6913  0.0032 -4.7431 3  305.3767284 -595161404351322 4    351223 4      C-13-H3C(O)CH3
  186125.6913  0.0030 -4.7431 3  305.3767284 -595161404351322 3    351223 3      C-13-H3C(O)CH3
  186128.9480  0.0030 -4.4124 3   26.1458168 -59516140410 8 3 1     9 7 3 1      C-13-H3C(O)CH3
  186137.6228  0.0120 -4.8501 3  427.3961600  5951614043732 6 1    3731 7 1      C-13-H3C(O)CH3
  186140.0390  0.0062 -5.0905 3   51.3002116  59516140414 8 6 3    13 9 5 3      C-13-H3C(O)CH3
  186157.0411  0.0030 -4.4419 3  305.3990568 -595161404351422 2    351323 2      C-13-H3C(O)CH3
  186157.0411  0.0030 -4.4419 3  305.3990568 -595161404351322 2    351223 2      C-13-H3C(O)CH3
  186162.8625  0.0113 -4.8500 3  427.4293600  5951614043732 5 2    3731 6 2      C-13-H3C(O)CH3
  186165.8558  0.0031 -4.4419 3  305.4007568 -595161404351322 1    351223 1      C-13-H3C(O)CH3
  186165.8558  0.0031 -4.4419 3  305.4007568 -595161404351422 1    351323 1      C-13-H3C(O)CH3
  186172.4933  0.0132 -5.1508 3  427.3949300  5951614043732 5 3    3731 6 3      C-13-H3C(O)CH3
  186183.9349  0.0279 -5.4076 3  750.4636412  595161404513616 3    513517 3      C-13-H3C(O)CH3
  186185.6457  0.0033 -4.4352 3   26.1492168 -59516140410 8 3 2     9 7 3 2      C-13-H3C(O)CH3
  186188.3234  0.0037 -6.8690 3   76.6560280  5951614041710 8 2    1611 6 2      C-13-H3C(O)CH3
  186191.9409  0.0069 -4.8005 3   51.2573232 -59516140414 8 6 1    13 9 5 1      C-13-H3C(O)CH3
  186197.1622  0.0027 -4.4416 3  305.4230568 -595161404351422 0    351323 0      C-13-H3C(O)CH3
  186197.1622  0.0027 -4.4416 3  305.4230568 -595161404351322 0    351223 0      C-13-H3C(O)CH3
  186201.5122  0.0926 -5.9296 3 1050.7891492  595161404614022 4    613923 4      C-13-H3C(O)CH3
  186207.9252  1.5639 -7.3355 3 1992.8550D68  595161404855035 0    854936 0      C-13-H3C(O)CH3
  186208.8137  0.0275 -5.1011 3  750.4261824  595161404513616 2    513517 2      C-13-H3C(O)CH3
  186233.0203  0.1627 -5.7656 3 1163.7968A48  595161404653728 1    653629 1      C-13-H3C(O)CH3
  186249.8401  0.0022 -6.0127 3   26.2109 84  59516140410 8 3 3     9 7 3 3      C-13-H3C(O)CH3
  186250.9576  0.0137 -5.1505 3  427.4095300  5951614043732 5 4    3731 6 4      C-13-H3C(O)CH3
  186257.3202  0.0114 -4.8499 3  427.4443600  5951614043732 5 0    3731 6 0      C-13-H3C(O)CH3
  186257.3203  0.0114 -4.8499 3  427.4443600  5951614043732 6 0    3731 7 0      C-13-H3C(O)CH3
  186260.9687  0.0221 -5.6986 3  323.8414252  5951614043131 1 3    3130 2 3      C-13-H3C(O)CH3
  186267.1041  0.0224 -5.3980 3  323.8966504  5951614043131 1 1    3130 2 1      C-13-H3C(O)CH3
  186298.3021  0.0221 -5.6986 3  323.8657252  5951614043131 0 3    3130 1 3      C-13-H3C(O)CH3
  186298.7261  0.2272 -5.7654 3 1163.8007A48  595161404653728 2    653629 2      C-13-H3C(O)CH3
  186311.2141  0.1251 -7.2934 3  750.4636412  595161404513615 3    513517 3      C-13-H3C(O)CH3
  186316.2961  0.0151 -6.9491 3  335.4299568  595161404352016 2    342311 2      C-13-H3C(O)CH3
  186321.9758  0.0037 -6.7351 3   76.6540280  5951614041710 8 1    1611 6 1      C-13-H3C(O)CH3
  186337.6758  0.0307 -5.4015 3  750.4331412  595161404513616 4    513517 4      C-13-H3C(O)CH3
  186345.4741  0.0113 -4.8494 3  427.4245600  5951614043732 5 1    3731 6 1      C-13-H3C(O)CH3
  186351.6173  2.0080 -7.3351 3 1992.8553D68  595161404855035 2    854936 2      C-13-H3C(O)CH3
  186365.6396  0.0530 -5.3211 3  894.0006904  595161404563818 0    563719 0      C-13-H3C(O)CH3
  186375.2349  0.0164 -7.2591 3  335.4062284  595161404352016 3    342311 3      C-13-H3C(O)CH3
  186385.6881  0.1046 -5.8817 3 1050.7955492  595161404614022 3    613923 3      C-13-H3C(O)CH3
  186387.5825  0.0159 -5.2961 3  671.8531388  595161404483513 4    483414 4      C-13-H3C(O)CH3
  186397.4305  0.0196 -5.3975 3  323.9179504  5951614043131 0 2    3130 1 2      C-13-H3C(O)CH3
  186403.9714  0.0199 -5.3978 3  323.9733504  5951614043131 1 0    3130 1 0      C-13-H3C(O)CH3
  186403.9714  0.0199 -5.3978 3  323.9733504  5951614043131 0 0    3130 2 0      C-13-H3C(O)CH3
  186405.0569  0.0138 -6.8129 3  171.1416408  595161404251411 1    2417 7 1      C-13-H3C(O)CH3
  186416.4874  0.0162 -7.2468 3  335.4048284  595161404352016 4    342311 4      C-13-H3C(O)CH3
  186416.8755  0.0150 -4.9951 3  671.8251776  595161404483513 2    483414 2      C-13-H3C(O)CH3
  186430.3271  0.0155 -6.5093 3  156.5150196  595161404241311 4    2316 8 4      C-13-H3C(O)CH3
  186458.5855  0.0167 -4.9949 3  671.8088776  595161404483513 1    483414 1      C-13-H3C(O)CH3
  186472.4545  0.0142 -5.2959 3  671.8237388  595161404483513 3    483414 3      C-13-H3C(O)CH3
  186476.5763  0.1685 -5.7647 3 1163.7892A48  595161404653728 0    653629 0      C-13-H3C(O)CH3
  186483.9650  0.0166 -4.9948 3  671.7809776  595161404483513 0    483414 0      C-13-H3C(O)CH3
  186492.9463  0.0166 -4.9948 3  671.7805776  595161404483514 0    483415 0      C-13-H3C(O)CH3
  186501.6615  0.4965 -6.4864 3 1390.4654572  595161404714130 3    714031 3      C-13-H3C(O)CH3
  186501.7752  0.4942 -6.4864 3 1390.4654572  595161404714130 4    714031 4      C-13-H3C(O)CH3
  186543.4488  0.0174 -4.9945 3  671.7794776  595161404483514 1    483415 1      C-13-H3C(O)CH3
  186550.6853  0.1222 -6.4507 3  894.0682452  595161404563819 3    563719 3      C-13-H3C(O)CH3
  186550.8011  0.0616 -5.3456 3  894.0400904  595161404563818 1    563719 1      C-13-H3C(O)CH3
  186574.3890  0.1426 -5.9013 3 1241.6228A80  595161404674028 0    673929 0      C-13-H3C(O)CH3
  186596.3045  0.0118 -6.9346 3  335.4481568  595161404352016 0    342311 0      C-13-H3C(O)CH3
  186596.5523  0.0085 -5.1164 3   51.2864116  59516140414 8 6 4    13 9 5 4      C-13-H3C(O)CH3
  186599.4514  0.0219 -5.6976 3  323.8757252  5951614043131 0 4    3130 1 4      C-13-H3C(O)CH3
  186601.8189  0.1046 -5.9012 3 1241.6357A80  595161404674028 2    673929 2      C-13-H3C(O)CH3
  186606.4066  0.0204 -5.3969 3  323.9310504  5951614043131 0 1    3130 1 1      C-13-H3C(O)CH3
  186611.6109  0.0517 -5.3393 3  894.0472904  595161404563818 2    563719 2      C-13-H3C(O)CH3
  186612.0022  0.0164 -5.2954 3  671.8180388  595161404483514 3    483415 3      C-13-H3C(O)CH3
  186626.0885  0.0147 -5.9831 3  139.2149360  5951614042216 6 1    2213 9 1      C-13-H3C(O)CH3
  186640.9179  0.0164 -4.9943 3  671.7900776  595161404483514 2    483415 2      C-13-H3C(O)CH3
  186646.4125  0.1340 -5.9010 3 1241.6324A80  595161404674028 1    673929 1      C-13-H3C(O)CH3
  186646.7600  0.0541 -5.6275 3  894.0930452  595161404563818 4    563719 4      C-13-H3C(O)CH3
  186669.0511  0.0124 -6.9382 3  335.4240568  595161404352016 1    342311 1      C-13-H3C(O)CH3
  186669.1435  0.3937 -6.1847 3 1390.4556B44  595161404714130 1    714031 1      C-13-H3C(O)CH3
  186673.5958  0.0740 -6.2019 3 1241.6454540  595161404674028 4    673929 4      C-13-H3C(O)CH3
  186676.4910  0.0762 -6.2019 3 1241.6454540  595161404674028 3    673929 3      C-13-H3C(O)CH3
  186687.7514  0.0054 -6.5882 3   76.6675140  5951614041710 8 4    1611 6 4      C-13-H3C(O)CH3
  186695.5910  0.0185 -5.2950 3  671.7886388  595161404483514 4    483415 4      C-13-H3C(O)CH3
  186696.2554  0.0127 -6.7151 3   67.2848248  5951614041513 2 0    1510 5 0      C-13-H3C(O)CH3
  186729.3171  0.0890 -5.6906 3  894.0682452  595161404563818 3    563719 3      C-13-H3C(O)CH3
  186762.7405  0.0128 -5.1448 3  508.5271332  5951614044133 9 3    413210 3      C-13-H3C(O)CH3
  186776.4524  0.0301 -5.4133 3  795.3092436  595161404542925 3    542826 3      C-13-H3C(O)CH3
  186776.8045  0.0303 -5.4133 3  795.3092436  595161404542925 4    542826 4      C-13-H3C(O)CH3
  186792.9009  0.3313 -6.2691 3 1274.6831548  595161404683929 3    683830 3      C-13-H3C(O)CH3
  186793.3170  0.3294 -6.2691 3 1274.6832548  595161404683929 4    683830 4      C-13-H3C(O)CH3
  186798.0064  0.0108 -5.7456 3  118.5505328  5951614042016 5 0    1917 2 0      C-13-H3C(O)CH3
  186802.9598  0.0296 -5.1122 3  795.3097872  595161404542925 2    542826 2      C-13-H3C(O)CH3
  186810.9787  0.0201 -5.1122 3  795.3102872  595161404542925 1    542826 1      C-13-H3C(O)CH3
  186811.6529  0.0108 -5.7455 3  118.5505328  5951614042016 4 0    1917 3 0      C-13-H3C(O)CH3
  186812.6972  0.0121 -5.1447 3  508.5050332  5951614044133 9 4    413210 4      C-13-H3C(O)CH3
  186821.5969  0.0117 -5.7783 3  139.1960360  5951614042216 6 0    2213 9 0      C-13-H3C(O)CH3
  186836.8497  0.0196 -5.1122 3  795.3106872  595161404542925 0    542826 0      C-13-H3C(O)CH3
  186837.0427  0.0151 -6.9467 3   67.3238248  5951614041513 2 1    1510 5 1      C-13-H3C(O)CH3
  186837.5517  0.0116 -4.8438 3  508.5565664  5951614044133 8 2    4132 9 2      C-13-H3C(O)CH3
  186842.4090  0.5327 -6.1841 3 1390.4633B44  595161404714130 2    714031 2      C-13-H3C(O)CH3
  186867.2171  0.0148 -5.1445 3  508.5549332  5951614044133 8 4    4132 9 4      C-13-H3C(O)CH3
  186874.0738  0.0111 -4.8436 3  508.5165664  5951614044133 9 1    413210 1      C-13-H3C(O)CH3
  186887.5357  0.0107 -4.8437 3  508.5346664  5951614044133 9 2    413210 2      C-13-H3C(O)CH3
  186913.1803  0.0032 -4.7283 3  284.3482276 -595161404341322 4    341223 4      C-13-H3C(O)CH3
  186913.1803  0.0029 -4.7283 3  284.3482276 -595161404341322 3    341223 3      C-13-H3C(O)CH3
  186913.1803  0.0029 -4.7283 3  284.3482276 -595161404341222 3    341123 3      C-13-H3C(O)CH3
  186913.1803  0.0032 -4.7283 3  284.3482276 -595161404341222 4    341123 4      C-13-H3C(O)CH3
  186918.3327  0.0130 -5.1444 3  508.5329332  5951614044133 8 3    4132 9 3      C-13-H3C(O)CH3
  186921.6692  0.0202 -6.3175 3  139.2226180  5951614042216 6 4    2213 9 4      C-13-H3C(O)CH3
  186934.5105  0.0512 -5.3185 3  893.9788904  595161404563819 0    563720 0      C-13-H3C(O)CH3
  186948.7014  0.0097 -5.7439 3  118.5689328  5951614042016 4 2    1917 2 2      C-13-H3C(O)CH3
  186950.3204  0.0111 -4.8436 3  508.5458664  5951614044133 8 0    4132 9 0      C-13-H3C(O)CH3
  186950.3363  0.0111 -4.8436 3  508.5458664  5951614044133 9 0    413210 0      C-13-H3C(O)CH3
  186961.6663  0.0029 -4.4270 3  284.3676552 -595161404341322 2    341223 2      C-13-H3C(O)CH3
  186961.6663  0.0029 -4.4270 3  284.3676552 -595161404341222 2    341123 2      C-13-H3C(O)CH3
  186968.6316  0.0144 -5.9696 3  139.2031360  5951614042216 6 2    2213 9 2      C-13-H3C(O)CH3
  186969.8926  0.0030 -4.4270 3  284.3691552 -595161404341322 1    341223 1      C-13-H3C(O)CH3
  186969.8926  0.0030 -4.4270 3  284.3691552 -595161404341222 1    341123 1      C-13-H3C(O)CH3
  186977.8254  0.2573 -5.9673 3 1274.6719A96  595161404683929 1    683830 1      C-13-H3C(O)CH3
  186979.6684  0.0120 -4.8433 3  508.5442664  5951614044133 8 1    4132 9 1      C-13-H3C(O)CH3
  186985.2812  0.0622 -5.6300 3  922.1378468  595161404583226 3    583127 3      C-13-H3C(O)CH3
  186985.9233  0.0622 -5.6300 3  922.1378468  595161404583226 4    583127 4      C-13-H3C(O)CH3
  186987.9346  0.0033 -4.5866 3   26.2109 84  59516140410 8 2 3     9 7 3 3      C-13-H3C(O)CH3
  187007.0176  0.0516 -5.3438 3  894.0023904  595161404563819 1    563720 1      C-13-H3C(O)CH3
  187008.6291  0.4092 -6.1834 3 1390.4535B44  595161404714130 0    714031 0      C-13-H3C(O)CH3
  187018.1839  0.0027 -4.4267 3  284.3885552 -595161404341322 0    341223 0      C-13-H3C(O)CH3
  187018.1839  0.0027 -4.4267 3  284.3885552 -595161404341222 0    341123 0      C-13-H3C(O)CH3
  187021.3393  0.0041 -4.6381 3  488.2009696  595161404432023 0    431924 0      C-13-H3C(O)CH3
  187022.3215  0.0041 -4.6381 3  488.2009696  595161404432123 0    432024 0      C-13-H3C(O)CH3
  187038.5014  0.1703 -6.7935 3 1050.7622984  595161404614021 1    613923 1      C-13-H3C(O)CH3
  187039.9139  0.0107 -6.2421 3  171.1153408  595161404251411 0    2417 8 0      C-13-H3C(O)CH3
  187044.0878  0.0052 -4.6378 3  488.1751696  595161404432023 2    431924 2      C-13-H3C(O)CH3
  187045.1508  0.0052 -4.6378 3  488.1751696  595161404432123 2    432024 2      C-13-H3C(O)CH3
  187054.2298  0.0079 -6.7991 3  316.7874284  595161404351520 4    341817 4      C-13-H3C(O)CH3
  187054.4437  0.0077 -6.7991 3  316.7874284  595161404351520 3    341817 3      C-13-H3C(O)CH3
  187054.5704  0.0045 -4.6378 3  488.1772696  595161404432023 1    431924 1      C-13-H3C(O)CH3
  187055.5992  0.0045 -4.6378 3  488.1772696  595161404432123 1    432024 1      C-13-H3C(O)CH3
  187056.2339  0.0078 -6.4981 3  316.8143568  595161404351520 1    341817 1      C-13-H3C(O)CH3
  187072.3553  0.0433 -5.3287 3  922.1315936  595161404583226 1    583127 1      C-13-H3C(O)CH3
  187072.5989  0.0616 -5.3374 3  894.0042904  595161404563819 2    563720 2      C-13-H3C(O)CH3
  187074.0154  0.0630 -5.3287 3  922.1323936  595161404583226 2    583127 2      C-13-H3C(O)CH3
  187076.7478  0.2579 -6.7305 3 1050.7615984  595161404614021 2    613923 2      C-13-H3C(O)CH3
  187077.3985  0.0054 -4.9386 3  488.1513348  595161404432023 3    431924 3      C-13-H3C(O)CH3
  187077.4434  0.0054 -4.9386 3  488.1513348  595161404432023 4    431924 4      C-13-H3C(O)CH3
  187078.5125  0.0054 -4.9386 3  488.1513348  595161404432123 3    432024 3      C-13-H3C(O)CH3
  187078.5525  0.0054 -4.9386 3  488.1513348  595161404432123 4    432024 4      C-13-H3C(O)CH3
  187079.4593  0.0027 -4.7423 3   57.4971156  59516140419 119 3    18 018 3      C-13-H3C(O)CH3
  187079.4593  0.0027 -4.7423 3   57.4971156  59516140419 019 3    18 118 3      C-13-H3C(O)CH3
  187079.4640  0.0027 -4.1055 3   57.4971156  59516140419 019 4    18 118 4      C-13-H3C(O)CH3
  187079.4911  0.0027 -4.2193 3   57.4971156 -59516140419 119 3    18 118 3      C-13-H3C(O)CH3
  187079.4911  0.0027 -4.2193 3   57.4971156 -59516140419 019 3    18 018 3      C-13-H3C(O)CH3
  187079.4911  0.0027 -4.1055 3   57.4971156 -59516140419 119 4    18 018 4      C-13-H3C(O)CH3
  187085.9049  0.0031 -3.8124 3   57.4257312  59516140419 119 1    18 118 1      C-13-H3C(O)CH3
  187085.9049  0.0031 -3.8124 3   57.4257312  59516140419 019 1    18 018 1      C-13-H3C(O)CH3
  187085.9639  0.0031 -5.5305 3   57.4257312 -59516140419 019 1    18 118 1      C-13-H3C(O)CH3
  187085.9639  0.0030 -6.3096 3   57.4252312 -59516140419 119 2    18 118 2      C-13-H3C(O)CH3
  187085.9639  0.0030 -6.3096 3   57.4252312 -59516140419 019 2    18 018 2      C-13-H3C(O)CH3
  187085.9639  0.0031 -5.5305 3   57.4257312 -59516140419 119 1    18 018 1      C-13-H3C(O)CH3
  187086.0053  0.0030 -3.8055 3   57.4252312  59516140419 119 2    18 018 2      C-13-H3C(O)CH3
  187086.0053  0.0030 -3.8055 3   57.4252312  59516140419 019 2    18 118 2      C-13-H3C(O)CH3
  187091.0951  0.3528 -5.9669 3 1274.6775A96  595161404683929 2    683830 2      C-13-H3C(O)CH3
  187092.4304  0.0028 -5.7571 3   57.3540312  59516140419 119 0    18 018 0      C-13-H3C(O)CH3
  187092.4304  0.0028 -3.8089 3   57.3540312  59516140419 019 0    18 018 0      C-13-H3C(O)CH3
  187092.4651  0.0028 -5.7571 3   57.3540312 -59516140419 019 0    18 118 0      C-13-H3C(O)CH3
  187092.4651  0.0028 -3.8089 3   57.3540312 -59516140419 119 0    18 118 0      C-13-H3C(O)CH3
  187105.4807  0.0132 -7.2998 3  352.6389292  595161404362017 3    352312 3      C-13-H3C(O)CH3
  187111.7698  0.0078 -6.4953 3  316.8097568  595161404351520 2    341817 2      C-13-H3C(O)CH3
  187111.9131  0.0136 -7.2996 3  352.6386292  595161404362017 4    352312 4      C-13-H3C(O)CH3
  187113.1514  0.0148 -6.9576 3   67.3199248  5951614041513 2 2    1510 5 2      C-13-H3C(O)CH3
  187113.3321  0.0067 -6.4953 3  316.8365568  595161404351520 0    341817 0      C-13-H3C(O)CH3
  187138.7446  0.0105 -5.7431 3  118.5570328  5951614042016 4 1    1917 2 1      C-13-H3C(O)CH3
  187144.4727  0.0193 -7.2036 3   67.3628124  5951614041513 2 4    1510 5 4      C-13-H3C(O)CH3
  187154.0647  0.0136 -6.9948 3  352.6601584  595161404362017 2    352312 2      C-13-H3C(O)CH3
  187159.4737  0.0437 -5.3285 3  922.1260936  595161404583226 0    583127 0      C-13-H3C(O)CH3
  187200.6703  0.0260 -5.4114 3  795.3113436  595161404543025 4    542926 4      C-13-H3C(O)CH3
  187201.0340  0.0258 -5.4114 3  795.3113436  595161404543025 3    542926 3      C-13-H3C(O)CH3
  187207.6506  0.0249 -5.1104 3  795.3117872  595161404543025 2    542926 2      C-13-H3C(O)CH3
  187210.6139  0.0707 -5.6884 3  894.0462452  595161404563819 3    563720 3      C-13-H3C(O)CH3
  187214.2700  0.0194 -5.1104 3  795.3121872  595161404543025 1    542926 1      C-13-H3C(O)CH3
  187221.2850  0.0183 -5.1105 3  795.3125872  595161404543025 0    542926 0      C-13-H3C(O)CH3
  187226.4376  0.0106 -5.7435 3  118.4859328  5951614042016 5 1    1917 3 1      C-13-H3C(O)CH3
  187230.4584  0.0078 -6.4973 3  316.8085568  595161404351620 1    341717 1      C-13-H3C(O)CH3
  187231.2661  0.1911 -6.0041 3 1293.4939A96  595161404684326 0    684227 0      C-13-H3C(O)CH3
  187232.7968  0.0080 -6.7982 3  316.7814284  595161404351620 4    341717 4      C-13-H3C(O)CH3
  187233.3924  0.0079 -6.7982 3  316.7814284  595161404351620 3    341717 3      C-13-H3C(O)CH3
  187233.5376  0.0105 -5.7428 3  118.4989328  5951614042016 5 2    1917 3 2      C-13-H3C(O)CH3
  187251.7412  0.0076 -4.8712 3  647.7980792  595161404492524 0    492425 0      C-13-H3C(O)CH3
  187261.7690  0.0120 -4.8710 3  647.7852792  595161404492524 2    492425 2      C-13-H3C(O)CH3
  187270.8278  1.1225 -6.7722 3 1696.9291C56  595161404784929 0    784830 0      C-13-H3C(O)CH3
  187270.9388  0.0060 -7.2908 3   28.4061184  59516140411 6 6 2    11 3 9 2      C-13-H3C(O)CH3
  187272.1338  0.0082 -4.8710 3  647.7867792  595161404492524 1    492425 1      C-13-H3C(O)CH3
  187273.8214  0.2672 -5.9662 3 1274.6662A96  595161404683929 0    683830 0      C-13-H3C(O)CH3
  187282.1302  0.0126 -5.1718 3  647.7739396  595161404492524 3    492425 3      C-13-H3C(O)CH3
  187282.2680  0.0127 -5.1718 3  647.7738396  595161404492524 4    492425 4      C-13-H3C(O)CH3
  187283.9727  0.0135 -6.0426 3  118.5754164  5951614042016 4 4    1917 2 4      C-13-H3C(O)CH3
  187288.0103  0.0059 -7.2925 3   28.4067184  59516140411 6 6 1    11 3 9 1      C-13-H3C(O)CH3
  187288.5146  0.0067 -6.4945 3  316.8307568  595161404351620 0    341717 0      C-13-H3C(O)CH3
  187290.4268  0.0076 -4.8710 3  647.7982792  595161404492624 0    492525 0      C-13-H3C(O)CH3
  187291.6437  0.0078 -6.4944 3  316.8037568  595161404351620 2    341717 2      C-13-H3C(O)CH3
  187292.7162  0.0753 -5.6250 3  894.0216452  595161404563819 4    563720 4      C-13-H3C(O)CH3
  187303.0360  0.0117 -4.8708 3  647.7853792  595161404492624 2    492525 2      C-13-H3C(O)CH3
  187312.8025  0.0083 -4.8708 3  647.7869792  595161404492624 1    492525 1      C-13-H3C(O)CH3
  187312.8273  1.4077 -6.7724 3 1696.9331C56  595161404784929 2    784830 2      C-13-H3C(O)CH3
  187325.5244  0.0122 -5.1716 3  647.7740396  595161404492624 3    492525 3      C-13-H3C(O)CH3
  187325.5440  0.0123 -5.1716 3  647.7740396  595161404492624 4    492525 4      C-13-H3C(O)CH3
  187326.5306  0.0025 -4.2659 3   26.1067168 -59516140410 8 2 0     9 7 3 0      C-13-H3C(O)CH3
  187348.2011  0.0123 -6.9926 3  352.6591584  595161404362017 1    352312 1      C-13-H3C(O)CH3
  187361.2346  0.0242 -7.3520 3  447.4300648  595161404402516 0    392811 0      C-13-H3C(O)CH3
  187369.7713  0.0114 -6.0434 3  118.5042164  5951614042016 5 3    1917 3 3      C-13-H3C(O)CH3
  187389.2457  0.1515 -6.4468 3  894.0462452  595161404563818 3    563720 3      C-13-H3C(O)CH3
  187398.5127  0.0120 -6.9886 3  352.6802584  595161404362017 0    352312 0      C-13-H3C(O)CH3
  187422.2981  0.2389 -6.0035 3 1293.5137A96  595161404684326 2    684227 2      C-13-H3C(O)CH3
  187442.2193  0.0157 -5.1852 3  409.8742292  5951614043632 5 4    3631 6 4      C-13-H3C(O)CH3
  187458.8065  0.0132 -6.3449 3  171.0954408  595161404251411 2    2417 8 2      C-13-H3C(O)CH3
  187458.9940  0.0177 -7.3286 3  679.3907840  595161404522032 1    512329 1      C-13-H3C(O)CH3
  187458.9957  0.0177 -7.3286 3  679.3907840  595161404522132 1    512229 1      C-13-H3C(O)CH3
  187464.7282  0.0200 -7.3271 3  679.3900840  595161404522032 2    512329 2      C-13-H3C(O)CH3
  187464.7299  0.0200 -7.3271 3  679.3900840  595161404522132 2    512229 2      C-13-H3C(O)CH3
  187517.4388  0.1742 -6.0035 3 1293.5166A96  595161404684326 1    684227 1      C-13-H3C(O)CH3
  187518.0200  0.0136 -7.3284 3  679.4014840  595161404522032 0    512329 0      C-13-H3C(O)CH3
  187518.0214  0.0136 -7.3284 3  679.4014840  595161404522132 0    512229 0      C-13-H3C(O)CH3
  187562.3473  0.0122 -4.8840 3  409.9282584  5951614043632 5 2    3631 6 2      C-13-H3C(O)CH3
  187566.5528  0.2666 -7.1887 3  956.4288468  595161404583920 4    583820 4      C-13-H3C(O)CH3
  187567.2643  0.0059 -7.2863 3   28.3436184  59516140411 6 6 0    11 3 9 0      C-13-H3C(O)CH3
  187567.3906  0.0109 -6.0419 3  118.5053164  5951614042016 4 3    1917 2 3      C-13-H3C(O)CH3
  187568.6168  0.0143 -5.1847 3  409.8881292  5951614043632 5 3    3631 6 3      C-13-H3C(O)CH3
  187615.0816  0.0227 -7.3264 3   91.7549148  5951614041813 5 4    1714 4 4      C-13-H3C(O)CH3
  187626.2281  0.0032 -4.7178 3  263.9037268 -595161404331222 4    331123 4      C-13-H3C(O)CH3
  187626.2281  0.0029 -4.7178 3  263.9037268 -595161404331222 3    331123 3      C-13-H3C(O)CH3
  187626.2281  0.0032 -4.7178 3  263.9037268 -595161404331122 4    331023 4      C-13-H3C(O)CH3
  187626.2281  0.0029 -4.7178 3  263.9037268 -595161404331122 3    331023 3      C-13-H3C(O)CH3
  187645.9313  0.0131 -4.8837 3  409.9105584  5951614043632 5 1    3631 6 1      C-13-H3C(O)CH3
  187650.3738  0.0117 -6.0419 3  118.4342164  5951614042016 5 4    1917 3 4      C-13-H3C(O)CH3
  187677.9568  0.4199 -6.8598 3 1050.7891492  595161404614021 4    613923 4      C-13-H3C(O)CH3
  187678.1668  0.0141 -5.1845 3  409.9047292  5951614043632 4 3    3631 5 3      C-13-H3C(O)CH3
  187680.0417  0.1508 -6.5619 3  894.0023904  595161404563818 1    563720 1      C-13-H3C(O)CH3
  187689.9304  0.0120 -4.8836 3  409.9419584  5951614043632 4 2    3631 5 2      C-13-H3C(O)CH3
  187693.8439  0.0029 -4.4164 3  263.9193536 -595161404331122 2    331023 2      C-13-H3C(O)CH3
  187693.8439  0.0029 -4.4164 3  263.9193536 -595161404331222 2    331123 2      C-13-H3C(O)CH3
  187701.4857  0.0029 -4.4164 3  263.9207536 -595161404331222 1    331123 1      C-13-H3C(O)CH3
  187701.4857  0.0029 -4.4164 3  263.9207536 -595161404331122 1    331023 1      C-13-H3C(O)CH3
  187702.3538  0.1964 -6.3044 3 1293.5363548  595161404684326 4    684227 4      C-13-H3C(O)CH3
  187713.2518  0.2422 -6.3037 3 1293.5367548  595161404684326 3    684227 3      C-13-H3C(O)CH3
  187768.3172  0.0122 -4.8836 3  409.9644584  5951614043632 5 0    3631 6 0      C-13-H3C(O)CH3
  187768.3172  0.0122 -4.8836 3  409.9644584  5951614043632 4 0    3631 5 0      C-13-H3C(O)CH3
  187768.7919  0.0026 -4.4160 3  263.9362536 -595161404331122 0    331023 0      C-13-H3C(O)CH3
  187768.7919  0.0026 -4.4160 3  263.9362536 -595161404331222 0    331123 0      C-13-H3C(O)CH3
  187791.3961  1.0820 -6.7702 3 1696.9317C56  595161404784929 1    784830 1      C-13-H3C(O)CH3
  187804.6106  0.0142 -5.1840 3  409.9184292  5951614043632 4 4    3631 5 4      C-13-H3C(O)CH3
  187823.6594  0.0144 -6.5620 3  171.0882204  595161404251411 3    2417 8 3      C-13-H3C(O)CH3
  187829.6225  1.2713 -7.0713 3 1696.9355628  595161404784929 4    784830 4      C-13-H3C(O)CH3
  187836.3323  1.2869 -7.0716 3 1696.9359628  595161404784929 3    784830 3      C-13-H3C(O)CH3
  187878.8950  0.0279 -7.2870 3  323.0164552  595161404342113 2    332410 2      C-13-H3C(O)CH3
  187883.2586  0.0120 -4.8830 3  409.9409584  5951614043632 4 1    3631 5 1      C-13-H3C(O)CH3
  187902.2356  0.2060 -6.6789 3  894.0042904  595161404563818 2    563720 2      C-13-H3C(O)CH3
  187949.8782  0.0041 -4.8255 3   24.9291 84  59516140410 7 3 3     9 6 4 3      C-13-H3C(O)CH3
  187996.7237  0.1035 -5.6924 3 1118.3270A16  595161404634123 0    634024 0      C-13-H3C(O)CH3
  188010.1988  0.0086 -6.5163 3   80.6743140  5951614041712 6 4    17 9 9 4      C-13-H3C(O)CH3
  188026.6446  0.0077 -7.3322 3   11.8232 60  595161404 7 7 1 4     6 4 2 4      C-13-H3C(O)CH3
  188050.8108  0.0084 -4.7673 3   26.1492168 -59516140410 8 2 2     9 7 3 2      C-13-H3C(O)CH3
  188059.5069  0.1805 -6.5007 3  956.3829936  595161404583920 2    583820 2      C-13-H3C(O)CH3
  188094.8997  0.2736 -6.1992 3 1403.5759B44  595161404714428 0    714329 0      C-13-H3C(O)CH3
  188103.3783  0.0206 -7.0890 3  323.0377552  595161404342113 0    332410 0      C-13-H3C(O)CH3
  188112.0456  0.0137 -6.3694 3  171.0847408  595161404251411 1    2417 8 1      C-13-H3C(O)CH3
  188113.3249  0.1516 -6.4573 3  956.3788936  595161404583920 1    583820 1      C-13-H3C(O)CH3
  188119.9531  0.0038 -4.5310 3   24.8711168  59516140410 7 3 2     9 6 4 2      C-13-H3C(O)CH3
  188131.1876  0.0030 -4.5182 3   24.8153168  59516140410 7 3 0     9 6 4 0      C-13-H3C(O)CH3
  188132.7545  0.0103 -5.9411 3   59.9239124  59516140415 9 6 4    1410 4 4      C-13-H3C(O)CH3
  188165.6470  0.0094 -6.4011 3  177.3540212  595161404261314 4    251411 4      C-13-H3C(O)CH3
  188175.0364  0.0036 -4.5350 3   24.8711168  59516140410 7 3 1     9 6 4 1      C-13-H3C(O)CH3
  188182.0736  0.0077 -4.8237 3   26.1458168 -59516140410 8 2 1     9 7 3 1      C-13-H3C(O)CH3
  188183.5308  0.0086 -6.4011 3  177.3534212  595161404261314 3    251411 3      C-13-H3C(O)CH3
  188194.3203  0.1011 -5.7034 3 1118.3560A16  595161404634123 2    634024 2      C-13-H3C(O)CH3
  188197.0746  0.1001 -5.7035 3 1118.3580A16  595161404634123 1    634024 1      C-13-H3C(O)CH3
  188216.3762  0.3036 -6.1988 3 1403.5894B44  595161404714428 2    714329 2      C-13-H3C(O)CH3
  188225.1929  0.0122 -7.2607 3  514.3939364  595161404451827 4    442124 4      C-13-H3C(O)CH3
  188225.2671  0.0122 -7.2607 3  514.3939364  595161404451827 3    442124 3      C-13-H3C(O)CH3
  188225.4839  0.0122 -7.2607 3  514.3939364  595161404451927 4    442024 4      C-13-H3C(O)CH3
  188225.5597  0.0122 -7.2607 3  514.3939364  595161404451927 3    442024 3      C-13-H3C(O)CH3
  188230.7399  0.0073 -6.0990 3  177.3594424  595161404261314 1    251411 1      C-13-H3C(O)CH3
  188246.8196  0.0189 -7.2736 3  103.2385312  5951614041914 6 1    1815 3 1      C-13-H3C(O)CH3
  188257.2966  0.0116 -6.9602 3  514.4179728  595161404451827 1    442124 1      C-13-H3C(O)CH3
  188257.5627  0.0116 -6.9602 3  514.4179728  595161404451927 1    442024 1      C-13-H3C(O)CH3
  188270.9773  0.0033 -4.7122 3  244.0449260 -595161404321122 4    321023 4      C-13-H3C(O)CH3
  188270.9773  0.0029 -4.7122 3  244.0449260 -595161404321122 3    321023 3      C-13-H3C(O)CH3
  188270.9773  0.0029 -4.7122 3  244.0449260 -595161404321022 3    32 923 3      C-13-H3C(O)CH3
  188270.9773  0.0033 -4.7122 3  244.0449260 -595161404321022 4    32 923 4      C-13-H3C(O)CH3
  188277.8360  0.0124 -6.9583 3  514.4158728  595161404451827 2    442124 2      C-13-H3C(O)CH3
  188278.1108  0.0124 -6.9583 3  514.4158728  595161404451927 2    442024 2      C-13-H3C(O)CH3
  188309.7474  0.0099 -6.9591 3  514.4398728  595161404451827 0    442124 0      C-13-H3C(O)CH3
  188309.9975  0.0099 -6.9590 3  514.4398728  595161404451927 0    442024 0      C-13-H3C(O)CH3
  188348.7086  0.0180 -7.1401 3  103.2449312  5951614041914 6 2    1815 3 2      C-13-H3C(O)CH3
  188351.5645  0.1086 -6.0224 3 1118.3854508  595161404634123 4    634024 4      C-13-H3C(O)CH3
  188358.9090  0.0120 -5.6850 3  205.9632220  5951614042718 9 3    271512 3      C-13-H3C(O)CH3
  188359.6530  0.0028 -4.4106 3  244.0558520 -595161404321122 2    321023 2      C-13-H3C(O)CH3
  188359.6530  0.0028 -4.4106 3  244.0558520 -595161404321022 2    32 923 2      C-13-H3C(O)CH3
  188365.1869  0.0043 -4.8691 3   24.9251 84  59516140410 7 3 4     9 6 4 4      C-13-H3C(O)CH3
  188366.6109  0.2456 -6.1983 3 1403.5902B44  595161404714428 1    714329 1      C-13-H3C(O)CH3
  188366.6976  0.0028 -4.4107 3  244.0570520 -595161404321122 1    321023 1      C-13-H3C(O)CH3
  188366.6976  0.0028 -4.4107 3  244.0570520 -595161404321022 1    32 923 1      C-13-H3C(O)CH3
  188399.0944  0.0069 -6.0896 3   59.8699248  59516140415 9 6 2    1410 4 2      C-13-H3C(O)CH3
  188423.3157  0.0095 -5.3872 3  205.9765440  5951614042718 9 1    271512 1      C-13-H3C(O)CH3
  188440.6927  0.0212 -6.3879 3  164.7713196  5951614042417 8 4    241410 4      C-13-H3C(O)CH3
  188455.0330  0.0026 -4.4101 3  244.0680520 -595161404321122 0    321023 0      C-13-H3C(O)CH3
  188455.0330  0.0026 -4.4101 3  244.0680520 -595161404321022 0    32 923 0      C-13-H3C(O)CH3
  188457.9000  0.0072 -6.0944 3  177.3484424  595161404261314 2    251411 2      C-13-H3C(O)CH3
  188463.2290  0.0087 -5.6962 3  205.9637220  5951614042718 9 4    271512 4      C-13-H3C(O)CH3
  188464.0218  0.1393 -5.9920 3 1118.3890508  595161404634123 3    634024 3      C-13-H3C(O)CH3
  188466.2969  0.0038 -4.5999 3  462.5293680  595161404421923 0    421824 0      C-13-H3C(O)CH3
  188466.6224  0.0038 -4.5999 3  462.5293680  595161404422023 0    421924 0      C-13-H3C(O)CH3
  188473.8253  0.0428 -5.6235 3  922.1465468  595161404583326 4    583227 4      C-13-H3C(O)CH3
  188474.7668  0.0424 -5.6235 3  922.1465468  595161404583326 3    583227 3      C-13-H3C(O)CH3
  188486.7954  0.0047 -4.5997 3  462.5020680  595161404421923 2    421824 2      C-13-H3C(O)CH3
  188487.1495  0.0047 -4.5997 3  462.5020680  595161404422023 2    421924 2      C-13-H3C(O)CH3
  188487.5293  0.2300 -6.4990 3 1403.6038572  595161404714428 4    714329 4      C-13-H3C(O)CH3
  188488.3638  0.2550 -6.4990 3 1403.6038572  595161404714428 3    714329 3      C-13-H3C(O)CH3
  188490.7096  0.0674 -5.4179 3  956.3395936  595161404583919 0    583820 0      C-13-H3C(O)CH3
  188496.8002  0.0042 -4.5997 3  462.5041680  595161404421923 1    421824 1      C-13-H3C(O)CH3
  188497.1414  0.0042 -4.5997 3  462.5041680  595161404422023 1    421924 1      C-13-H3C(O)CH3
  188498.3296  0.0415 -5.3225 3  922.1405936  595161404583326 2    583227 2      C-13-H3C(O)CH3
  188501.4684  0.0369 -5.3224 3  922.1398936  595161404583326 1    583227 1      C-13-H3C(O)CH3
  188510.8694  0.0063 -6.0933 3  177.3542424  595161404261314 0    251411 0      C-13-H3C(O)CH3
  188517.3732  0.0049 -4.9005 3  462.4767340  595161404421923 3    421824 3      C-13-H3C(O)CH3
  188517.3946  0.0049 -4.9005 3  462.4767340  595161404421923 4    421824 4      C-13-H3C(O)CH3
  188517.7445  0.0049 -4.9005 3  462.4767340  595161404422023 3    421924 3      C-13-H3C(O)CH3
  188517.7640  0.0049 -4.9005 3  462.4767340  595161404422023 4    421924 4      C-13-H3C(O)CH3
  188525.9995  0.0359 -5.3224 3  922.1338936  595161404583326 0    583227 0      C-13-H3C(O)CH3
  188538.7093  0.0072 -5.9909 3   59.8719248  59516140415 9 6 1    1410 4 1      C-13-H3C(O)CH3
  188541.8711  0.0133 -5.1919 3  576.2845356  595161404443411 3    443312 3      C-13-H3C(O)CH3
  188570.6109  0.0159 -5.1919 3  576.3127356  595161404443410 4    443311 4      C-13-H3C(O)CH3
  188572.9094  0.0125 -4.8910 3  576.3009712  595161404443410 2    443311 2      C-13-H3C(O)CH3
  188651.7175  0.0115 -4.8906 3  576.2577712  595161404443411 1    443312 1      C-13-H3C(O)CH3
  188669.8024  0.0128 -5.1915 3  576.2574356  595161404443411 4    443312 4      C-13-H3C(O)CH3
  188671.8719  0.0091 -5.3842 3  205.9656440  5951614042718 9 2    271512 2      C-13-H3C(O)CH3
  188678.0488  0.0088 -5.3816 3  205.9788440  5951614042718 9 0    271512 0      C-13-H3C(O)CH3
  188681.2992  0.0126 -4.8906 3  576.2858712  595161404443410 1    443311 1      C-13-H3C(O)CH3
  188683.9246  0.0113 -4.8907 3  576.2740712  595161404443410 0    443311 0      C-13-H3C(O)CH3
  188684.1275  0.0113 -4.8907 3  576.2740712  595161404443411 0    443312 0      C-13-H3C(O)CH3
  188692.2950  0.1149 -6.7377 3  956.4097468  595161404583920 3    583820 3      C-13-H3C(O)CH3
  188699.8956  0.0137 -5.1915 3  576.2857356  595161404443410 3    443311 3      C-13-H3C(O)CH3
  188701.2873  0.0114 -4.8906 3  576.2738712  595161404443411 2    443312 2      C-13-H3C(O)CH3
  188712.1342  0.0822 -5.4588 3  956.3788936  595161404583919 1    583820 1      C-13-H3C(O)CH3
  188725.2385  0.0251 -7.3208 3  323.0024552  595161404342113 1    332410 1      C-13-H3C(O)CH3
  188764.2578  0.0131 -5.1450 3  489.0074324  5951614044033 8 3    4032 9 3      C-13-H3C(O)CH3
  188769.8475  0.0127 -5.1450 3  488.9876324  5951614044033 8 4    4032 9 4      C-13-H3C(O)CH3
  188776.2230  0.0177 -5.2381 3  392.8951284  5951614043532 4 4    3531 5 4      C-13-H3C(O)CH3
  188778.1282  0.0200 -6.7189 3  171.0570204  595161404251411 4    2417 8 4      C-13-H3C(O)CH3
  188784.8191  0.0774 -5.4544 3  956.3829936  595161404583919 2    583820 2      C-13-H3C(O)CH3
  188821.0532  0.0135 -6.9571 3   74.7574132  5951614041613 4 4    1610 7 4      C-13-H3C(O)CH3
  188851.3337  0.0115 -4.8439 3  489.0422648  5951614044033 7 2    4032 8 2      C-13-H3C(O)CH3
  188852.9289  0.0030 -4.7121 3  224.7732252 -59516140431 922 3    31 823 3      C-13-H3C(O)CH3
  188852.9289  0.0030 -4.7121 3  224.7732252 -595161404311022 3    31 923 3      C-13-H3C(O)CH3
  188852.9289  0.0035 -4.7122 3  224.7733252 -59516140431 922 4    31 823 4      C-13-H3C(O)CH3
  188852.9289  0.0035 -4.7121 3  224.7733252 -595161404311022 4    31 923 4      C-13-H3C(O)CH3
  188854.9021  0.0293 -5.4816 3  807.5716428  595161404533716 4    533617 4      C-13-H3C(O)CH3
  188856.5623  0.0109 -4.8439 3  489.0225648  5951614044033 8 2    4032 9 2      C-13-H3C(O)CH3
  188860.8474  0.0357 -5.1803 3  807.4764856  595161404533716 0    533617 0      C-13-H3C(O)CH3
  188866.9999  0.0762 -5.7326 3  956.4288468  595161404583919 4    583820 4      C-13-H3C(O)CH3
  188871.8600  0.0116 -4.8438 3  489.0039648  5951614044033 8 1    4032 9 1      C-13-H3C(O)CH3
  188873.5957  0.0378 -5.1816 3  807.5170856  595161404533716 1    533617 1      C-13-H3C(O)CH3
  188879.8983  0.1173 -5.7613 3  956.4097468  595161404583919 3    583820 3      C-13-H3C(O)CH3
  188889.1215  0.0303 -5.1810 3  807.5292856  595161404533716 2    533617 2      C-13-H3C(O)CH3
  188890.3916  0.0059 -6.1641 3   80.6461280  5951614041712 6 1    17 9 9 1      C-13-H3C(O)CH3
  188890.9276  0.0123 -6.7472 3   82.8947140  5951614041713 5 4    1710 8 4      C-13-H3C(O)CH3
  188895.5303  0.0137 -4.9370 3  392.9548568  5951614043532 4 2    3531 5 2      C-13-H3C(O)CH3
  188902.9367  0.0145 -5.1446 3  489.0363324  5951614044033 7 4    4032 8 4      C-13-H3C(O)CH3
  188906.9506  0.1373 -6.9254 3  807.5426428  595161404533717 3    533617 3      C-13-H3C(O)CH3
  188909.4125  0.0131 -5.1446 3  489.0166324  5951614044033 7 3    4032 8 3      C-13-H3C(O)CH3
  188920.0968  0.0040 -6.4250 3   80.6743140  5951614041712 6 3    17 9 9 3      C-13-H3C(O)CH3
  188950.5844  0.0157 -5.2375 3  392.9088284  5951614043532 4 3    3531 5 3      C-13-H3C(O)CH3
  188960.2712  0.0114 -4.8438 3  489.0386648  5951614044033 7 0    4032 8 0      C-13-H3C(O)CH3
  188960.2735  0.0114 -4.8438 3  489.0386648  5951614044033 8 0    4032 9 0      C-13-H3C(O)CH3
  188964.5540  0.0028 -4.4103 3  224.7786504 -595161404311022 2    31 923 2      C-13-H3C(O)CH3
  188964.5540  0.0028 -4.4103 3  224.7786504 -59516140431 922 2    31 823 2      C-13-H3C(O)CH3
  188964.9568  0.0355 -5.1798 3  807.4725856  595161404533717 0    533618 0      C-13-H3C(O)CH3
  188970.8976  0.0028 -4.4107 3  224.7797504 -595161404311022 1    31 923 1      C-13-H3C(O)CH3
  188970.8976  0.0028 -4.4107 3  224.7797504 -59516140431 922 1    31 823 1      C-13-H3C(O)CH3
  189007.6484  0.0148 -4.9366 3  392.9385568  5951614043532 4 1    3531 5 1      C-13-H3C(O)CH3
  189011.8057  0.0118 -4.8434 3  489.0327648  5951614044033 7 1    4032 8 1      C-13-H3C(O)CH3
  189015.5508  0.0626 -5.8608 3 1057.8903500  595161404623627 4    623528 4      C-13-H3C(O)CH3
  189017.2615  0.0619 -5.8608 3 1057.8903500  595161404623627 3    623528 3      C-13-H3C(O)CH3
  189035.0359  0.0625 -5.5598 3 1057.8809A00  595161404623627 2    623528 2      C-13-H3C(O)CH3
  189039.0425  0.0155 -5.2373 3  392.9281284  5951614043532 3 3    3531 4 3      C-13-H3C(O)CH3
  189040.1381  0.0660 -5.5598 3 1057.8789A00  595161404623627 1    623528 1      C-13-H3C(O)CH3
  189042.3995  0.0286 -5.4966 3  807.5426428  595161404533716 3    533617 3      C-13-H3C(O)CH3
  189059.7108  0.0660 -5.5597 3 1057.8695A00  595161404623627 0    623528 0      C-13-H3C(O)CH3
  189071.3925  0.0133 -4.9363 3  392.9684568  5951614043532 3 2    3531 4 2      C-13-H3C(O)CH3
  189080.6084  0.0356 -5.1808 3  807.4873856  595161404533717 1    533618 1      C-13-H3C(O)CH3
  189082.1189  0.0026 -4.4099 3  224.7851504 -59516140431 922 0    31 823 0      C-13-H3C(O)CH3
  189082.1189  0.0026 -4.4098 3  224.7851504 -595161404311022 0    31 923 0      C-13-H3C(O)CH3
  189100.9668  0.0057 -6.1544 3   80.6437280  5951614041712 6 2    17 9 9 2      C-13-H3C(O)CH3
  189129.2819  0.0135 -4.9365 3  392.9982568  5951614043532 3 0    3531 4 0      C-13-H3C(O)CH3
  189129.2819  0.0135 -4.9365 3  392.9982568  5951614043532 4 0    3531 5 0      C-13-H3C(O)CH3
  189154.8572  0.0381 -5.4962 3  807.5343428  595161404533717 3    533618 3      C-13-H3C(O)CH3
  189180.0497  0.0376 -5.1800 3  807.4923856  595161404533717 2    533618 2      C-13-H3C(O)CH3
  189213.9515  0.0153 -5.2367 3  392.9416284  5951614043532 3 4    3531 4 4      C-13-H3C(O)CH3
  189244.4869  0.0144 -6.2045 3  164.7722392  5951614042417 8 1    241410 1      C-13-H3C(O)CH3
  189272.2494  0.0134 -4.9358 3  392.9714568  5951614043532 3 1    3531 4 1      C-13-H3C(O)CH3
  189290.3061  0.1498 -6.9236 3  807.5343428  595161404533716 3    533618 3      C-13-H3C(O)CH3
  189341.4747  0.0417 -5.4799 3  807.5053428  595161404533717 4    533618 4      C-13-H3C(O)CH3
  189360.6613  0.0639 -5.4140 3  956.3059936  595161404583920 0    583821 0      C-13-H3C(O)CH3
  189376.6285  0.0095 -7.0056 3   11.7539120  595161404 7 7 1 1     6 4 2 1      C-13-H3C(O)CH3
  189376.9607  0.0038 -4.7198 3  206.0904244  59516140430 922 4    30 823 4      C-13-H3C(O)CH3
  189376.9607  0.0038 -7.2503 3  206.0904244  59516140430 822 4    30 823 4      C-13-H3C(O)CH3
  189376.9607  0.0038 -4.7186 3  206.0904244  59516140430 822 4    30 723 4      C-13-H3C(O)CH3
  189377.1228  0.0032 -4.7189 3  206.0904244  59516140430 822 3    30 723 3      C-13-H3C(O)CH3
  189377.1228  0.0032 -4.7186 3  206.0904244  59516140430 922 3    30 823 3      C-13-H3C(O)CH3
  189390.3052  0.0064 -4.8192 3  618.6957776  595161404482424 0    482325 0      C-13-H3C(O)CH3
  189396.2647  0.0146 -7.1792 3  164.7707196  5951614042417 8 3    241410 3      C-13-H3C(O)CH3
  189405.3245  0.0064 -4.8191 3  618.6957776  595161404482524 0    482425 0      C-13-H3C(O)CH3
  189408.0609  0.0099 -4.8190 3  618.6802776  595161404482424 2    482325 2      C-13-H3C(O)CH3
  189417.0528  0.2488 -7.2691 3 1118.3560A16  595161404634122 2    634024 2      C-13-H3C(O)CH3
  189417.7753  0.0070 -4.8190 3  618.6819776  595161404482424 1    482325 1      C-13-H3C(O)CH3
  189424.1679  0.0098 -4.8189 3  618.6803776  595161404482524 2    482425 2      C-13-H3C(O)CH3
  189429.6986  0.1732 -7.2642 3 1118.3580A16  595161404634122 1    634024 1      C-13-H3C(O)CH3
  189433.6029  0.0070 -4.8189 3  618.6819776  595161404482524 1    482425 1      C-13-H3C(O)CH3
  189435.5591  0.0104 -5.1198 3  618.6664388  595161404482424 3    482325 3      C-13-H3C(O)CH3
  189435.6690  0.0105 -5.1198 3  618.6664388  595161404482424 4    482325 4      C-13-H3C(O)CH3
  189436.8593  0.0645 -5.4557 3  956.3346936  595161404583920 1    583821 1      C-13-H3C(O)CH3
  189439.8559  0.1168 -5.8194 3 1202.4697A64  595161404663928 0    663829 0      C-13-H3C(O)CH3
  189439.9847  0.0899 -5.8194 3 1202.4827A64  595161404663928 2    663829 2      C-13-H3C(O)CH3
  189452.5381  0.0103 -5.1197 3  618.6665388  595161404482524 3    482425 3      C-13-H3C(O)CH3
  189452.5945  0.0104 -5.1197 3  618.6664388  595161404482524 4    482425 4      C-13-H3C(O)CH3
  189464.3345  0.1127 -5.8193 3 1202.4795A64  595161404663928 1    663829 1      C-13-H3C(O)CH3
  189464.5080  0.0780 -6.1203 3 1202.4926532  595161404663928 4    663829 4      C-13-H3C(O)CH3
  189466.7504  0.0778 -6.1203 3 1202.4926532  595161404663928 3    663829 3      C-13-H3C(O)CH3
  189474.2900  0.0707 -5.4515 3  956.3357936  595161404583920 2    583821 2      C-13-H3C(O)CH3
  189483.4579  0.0087 -5.5449 3   26.1776 84  59516140410 8 2 4     9 7 3 4      C-13-H3C(O)CH3
  189513.2950  0.0028 -4.4172 3  206.0893488 -59516140430 822 2    30 723 2      C-13-H3C(O)CH3
  189513.2950  0.0028 -4.4192 3  206.0893488 -59516140430 922 2    30 823 2      C-13-H3C(O)CH3
  189513.3321  0.0028 -6.6319 3  206.0893488  59516140430 822 2    30 823 2      C-13-H3C(O)CH3
  189513.3321  0.0028 -7.2320 3  206.0893488  59516140430 922 2    30 723 2      C-13-H3C(O)CH3
  189519.0497  0.0029 -6.7574 3  206.0903488  59516140430 822 1    30 823 1      C-13-H3C(O)CH3
  189519.0654  0.0029 -4.4167 3  206.0903488 -59516140430 822 1    30 723 1      C-13-H3C(O)CH3
  189519.0654  0.0029 -4.4187 3  206.0903488 -59516140430 922 1    30 823 1      C-13-H3C(O)CH3
  189560.7331  0.0163 -5.2659 3  648.7164380  595161404473512 4    473413 4      C-13-H3C(O)CH3
  189577.4430  0.0038 -5.3949 3   18.2300 76  595161404 9 5 4 3     8 4 5 3      C-13-H3C(O)CH3
  189588.5586  0.0139 -4.9648 3  648.6924760  595161404473512 2    473413 2      C-13-H3C(O)CH3
  189598.0891  0.0114 -7.0045 3   11.7525120  595161404 7 7 1 2     6 4 2 2      C-13-H3C(O)CH3
  189600.3597  0.2457 -6.1785 3 1397.2515B44  595161404714329 0    714230 0      C-13-H3C(O)CH3
  189610.3391  0.0140 -5.2657 3  648.6882380  595161404473513 3    473413 3      C-13-H3C(O)CH3
  189622.3595  0.0052 -5.3955 3   18.2299 76  595161404 9 5 4 4     8 4 5 4      C-13-H3C(O)CH3
  189630.4248  0.0040 -6.1174 3   80.6156280  5951614041712 6 0    17 9 9 0      C-13-H3C(O)CH3
  189637.2316  0.0044 -5.0918 3   18.1654152  595161404 9 5 4 2     8 4 5 2      C-13-H3C(O)CH3
  189654.9966  0.0027 -6.4032 3  206.0893488  59516140430 822 0    30 823 0      C-13-H3C(O)CH3
  189654.9966  0.0027 -6.4032 3  206.0893488  59516140430 922 0    30 723 0      C-13-H3C(O)CH3
  189655.0321  0.0027 -4.4203 3  206.0893488 -59516140430 822 0    30 723 0      C-13-H3C(O)CH3
  189655.0321  0.0027 -4.4203 3  206.0893488 -59516140430 922 0    30 823 0      C-13-H3C(O)CH3
  189656.9311  0.2059 -6.1784 3 1397.2632B44  595161404714329 2    714230 2      C-13-H3C(O)CH3
  189657.3334  0.0144 -4.9646 3  648.6763760  595161404473512 1    473413 1      C-13-H3C(O)CH3
  189674.3668  0.0843 -5.7578 3  956.3770468  595161404583920 3    583821 3      C-13-H3C(O)CH3
  189684.6057  0.0137 -4.9645 3  648.6522760  595161404473512 0    473413 0      C-13-H3C(O)CH3
  189686.6090  0.0137 -4.9645 3  648.6522760  595161404473513 0    473414 0      C-13-H3C(O)CH3
  189686.9662  0.0936 -5.7294 3  956.3580468  595161404583920 4    583821 4      C-13-H3C(O)CH3
  189702.8481  0.0043 -5.0924 3   18.1661152  595161404 9 5 4 1     8 4 5 1      C-13-H3C(O)CH3
  189706.4643  0.0145 -4.9643 3  648.6481760  595161404473513 1    473414 1      C-13-H3C(O)CH3
  189716.0567  0.0185 -5.3630 3  725.7925404  595161404503614 4    503515 4      C-13-H3C(O)CH3
  189716.3556  0.3124 -7.0105 3 1020.8899484  595161404604021 4    603921 4      C-13-H3C(O)CH3
  189740.8736  0.0042 -5.0900 3   18.1018152  595161404 9 5 4 0     8 4 5 0      C-13-H3C(O)CH3
  189757.2571  0.0188 -5.0618 3  725.7580808  595161404503614 2    503515 2      C-13-H3C(O)CH3
  189758.4934  0.0149 -5.2653 3  648.6852380  595161404473512 3    473414 3      C-13-H3C(O)CH3
  189765.0712  0.2228 -6.1780 3 1397.2603B44  595161404714329 1    714230 1      C-13-H3C(O)CH3
  189776.1379  0.0081 -5.4519 3  103.2125312  5951614041914 6 0    1815 3 0      C-13-H3C(O)CH3
  189783.3292  0.0220 -5.0617 3  725.7429808  595161404503614 1    503515 1      C-13-H3C(O)CH3
  189785.7218  0.0139 -4.9642 3  648.6611760  595161404473513 2    473414 2      C-13-H3C(O)CH3
  189786.2157  0.0036 -4.5645 3  437.4275664  595161404411823 0    411724 0      C-13-H3C(O)CH3
  189786.3190  0.0036 -4.5645 3  437.4275664  595161404411923 0    411824 0      C-13-H3C(O)CH3
  189802.4131  0.0042 -4.5643 3  437.3991664  595161404411823 2    411724 2      C-13-H3C(O)CH3
  189802.5260  0.0042 -4.5643 3  437.3991664  595161404411923 2    411824 2      C-13-H3C(O)CH3
  189806.7388  0.0158 -5.2650 3  648.6568380  595161404473513 4    473414 4      C-13-H3C(O)CH3
  189811.9980  0.0040 -4.5643 3  437.4011664  595161404411823 1    411724 1      C-13-H3C(O)CH3
  189812.1063  0.0040 -4.5643 3  437.4011664  595161404411923 1    411824 1      C-13-H3C(O)CH3
  189817.0265  0.0219 -5.0616 3  725.7087808  595161404503614 0    503515 0      C-13-H3C(O)CH3
  189821.4388  0.1250 -6.4788 3 1397.2720572  595161404714329 4    714230 4      C-13-H3C(O)CH3
  189822.7961  0.1353 -6.4788 3 1397.2720572  595161404714329 3    714230 3      C-13-H3C(O)CH3
  189826.7713  0.0238 -5.3495 3  763.3749428  595161404532825 3    532726 3      C-13-H3C(O)CH3
  189826.9916  0.0239 -5.3495 3  763.3749428  595161404532825 4    532726 4      C-13-H3C(O)CH3
  189828.2559  0.0044 -4.8652 3  437.3726332  595161404411823 4    411724 4      C-13-H3C(O)CH3
  189828.2603  0.0044 -4.8652 3  437.3727332  595161404411823 3    411724 3      C-13-H3C(O)CH3
  189828.3737  0.0044 -4.8652 3  437.3726332  595161404411923 4    411824 4      C-13-H3C(O)CH3
  189828.3788  0.0044 -4.8652 3  437.3727332  595161404411923 3    411824 3      C-13-H3C(O)CH3
  189829.5096  0.0214 -7.1925 3  250.0231488  595161404301812 2    2921 8 2      C-13-H3C(O)CH3
  189832.9329  0.0219 -5.0615 3  725.7081808  595161404503615 0    503516 0      C-13-H3C(O)CH3
  189834.6246  0.0231 -5.0486 3  763.3773856  595161404532825 2    532726 2      C-13-H3C(O)CH3
  189838.7765  0.2375 -6.1316 3 1368.4373B28  595161404704427 0    704328 0      C-13-H3C(O)CH3
  189842.3628  0.0159 -5.0485 3  763.3780856  595161404532825 1    532726 1      C-13-H3C(O)CH3
  189842.8977  0.0166 -5.3629 3  725.7640404  595161404503614 3    503515 3      C-13-H3C(O)CH3
  189845.1468  0.0051 -6.4460 3  206.2769228  595161404281315 3    271612 3      C-13-H3C(O)CH3
  189847.7638  0.0043 -4.7482 3  187.9977236  59516140429 722 4    29 723 4      C-13-H3C(O)CH3
  189847.7638  0.0043 -6.1925 3  187.9977236  59516140429 722 4    29 623 4      C-13-H3C(O)CH3
  189847.7638  0.0043 -6.1919 3  187.9977236  59516140429 822 4    29 723 4      C-13-H3C(O)CH3
  189847.7638  0.0043 -4.7482 3  187.9977236  59516140429 822 4    29 623 4      C-13-H3C(O)CH3
  189847.8956  0.0036 -4.7333 3  187.9977236  59516140429 722 3    29 723 3      C-13-H3C(O)CH3
  189847.8956  0.0036 -4.7333 3  187.9977236  59516140429 822 3    29 623 3      C-13-H3C(O)CH3
  189849.8945  0.0152 -5.0486 3  763.3804856  595161404532825 0    532726 0      C-13-H3C(O)CH3
  189850.0388  0.0055 -6.4460 3  206.2768228  595161404281315 4    271612 4      C-13-H3C(O)CH3
  189861.9701  0.1518 -6.7324 3  956.3770468  595161404583919 3    583821 3      C-13-H3C(O)CH3
  189878.5598  0.0030 -5.8936 3   11.8753 68  595161404 8 3 5 3     7 2 6 3      C-13-H3C(O)CH3
  189879.2791  0.0053 -6.1440 3  206.2899456  595161404281315 1    271612 1      C-13-H3C(O)CH3
  189882.5088  0.0109 -7.2340 3   11.8208 60  595161404 7 7 1 3     6 4 2 3      C-13-H3C(O)CH3
  189882.7580  0.4339 -7.1638 3 1118.3854508  595161404634122 4    634024 4      C-13-H3C(O)CH3
  189883.5249  0.0039 -5.8936 3   11.8753 68  595161404 8 3 5 4     7 2 6 4      C-13-H3C(O)CH3
  189887.0453  0.2892 -6.2566 3 1439.1466B60  595161404724429 0    724330 0      C-13-H3C(O)CH3
  189910.5911  0.0226 -5.0612 3  725.7143808  595161404503615 1    503516 1      C-13-H3C(O)CH3
  189918.5003  0.0053 -6.1411 3  206.2849456  595161404281315 2    271612 2      C-13-H3C(O)CH3
  189950.6532  0.0050 -6.1401 3  206.2979456  595161404281315 0    271612 0      C-13-H3C(O)CH3
  189954.2732  0.0137 -6.3073 3  164.7592392  5951614042417 8 2    241410 2      C-13-H3C(O)CH3
  189961.8078  0.2744 -6.2563 3 1439.1579B60  595161404724429 2    724330 2      C-13-H3C(O)CH3
  189967.7770  0.0207 -5.3626 3  725.7579404  595161404503615 3    503516 3      C-13-H3C(O)CH3
  189981.8499  0.0201 -5.3203 3  376.4251276  5951614043432 3 4    3431 4 4      C-13-H3C(O)CH3
  189995.6941  0.2961 -6.1311 3 1368.4542B28  595161404704427 2    704328 2      C-13-H3C(O)CH3
  190008.4596  0.8475 -6.6036 3 1613.2611C24  595161404764828 0    764729 0      C-13-H3C(O)CH3
  190008.4672  0.0211 -5.0609 3  725.7234808  595161404503615 2    503516 2      C-13-H3C(O)CH3
  190010.2937  0.0211 -5.0478 3  763.3781856  595161404532925 2    532826 2      C-13-H3C(O)CH3
  190010.5724  0.0031 -4.4355 3  187.9893472 -59516140429 822 2    29 723 2      C-13-H3C(O)CH3
  190010.5724  0.0031 -4.4355 3  187.9893472 -59516140429 722 2    29 623 2      C-13-H3C(O)CH3
  190010.5891  0.0031 -6.3900 3  187.9893472  59516140429 822 2    29 623 2      C-13-H3C(O)CH3
  190010.5891  0.0031 -6.3920 3  187.9893472  59516140429 722 2    29 723 2      C-13-H3C(O)CH3
  190011.6011  0.0220 -5.3487 3  763.3757428  595161404532925 4    532826 4      C-13-H3C(O)CH3
  190011.7555  0.0219 -5.3487 3  763.3757428  595161404532925 3    532826 3      C-13-H3C(O)CH3
  190015.6012  0.0033 -4.4383 3  187.9902472  59516140429 722 1    29 723 1      C-13-H3C(O)CH3
  190015.6012  0.0033 -4.4384 3  187.9902472  59516140429 822 1    29 623 1      C-13-H3C(O)CH3
  190015.6926  0.0033 -6.1999 3  187.9902472 -59516140429 722 1    29 623 1      C-13-H3C(O)CH3
  190015.6926  0.0033 -6.1933 3  187.9902472 -59516140429 822 1    29 723 1      C-13-H3C(O)CH3
  190015.8681  0.0147 -5.0479 3  763.3812856  595161404532925 0    532826 0      C-13-H3C(O)CH3
  190017.1136  0.0158 -5.0478 3  763.3788856  595161404532925 1    532826 1      C-13-H3C(O)CH3
  190035.6686  0.1776 -6.4483 3  956.3346936  595161404583919 1    583821 1      C-13-H3C(O)CH3
  190039.9823  0.1282 -5.8088 3 1188.0399A48  595161404654224 0    654125 0      C-13-H3C(O)CH3
  190040.2808  0.1924 -6.4755 3 1020.8458968  595161404604021 2    603921 2      C-13-H3C(O)CH3
  190042.1735  0.0096 -7.3393 3   11.8208 60  595161404 7 7 0 3     6 4 2 3      C-13-H3C(O)CH3
  190054.9347  0.1686 -6.5086 3 1020.8447968  595161404604021 1    603921 1      C-13-H3C(O)CH3
  190057.4908  0.0039 -5.5910 3   11.8043136  595161404 8 3 5 2     7 2 6 2      C-13-H3C(O)CH3
  190071.9766  0.0039 -5.5912 3   11.8049136  595161404 8 3 5 1     7 2 6 1      C-13-H3C(O)CH3
  190093.4248  0.0235 -5.3616 3  725.7293404  595161404503615 4    503516 4      C-13-H3C(O)CH3
  190097.3070  0.0158 -5.0192 3  376.4904552  5951614043432 3 2    3431 4 2      C-13-H3C(O)CH3
  190101.5633  0.0081 -5.4585 3  103.2449312  5951614041914 5 2    1815 3 2      C-13-H3C(O)CH3
  190104.7389  0.2595 -6.2558 3 1439.1563B60  595161404724429 1    724330 1      C-13-H3C(O)CH3
  190116.4366  1.0634 -6.6037 3 1613.2680C24  595161404764828 2    764729 2      C-13-H3C(O)CH3
  190125.4148  0.2173 -6.1309 3 1368.4573B28  595161404704427 1    704328 1      C-13-H3C(O)CH3
  190141.6293  0.0089 -6.9114 3  371.7179308  595161404381622 4    371919 4      C-13-H3C(O)CH3
  190141.7618  0.0089 -6.9114 3  371.7179308  595161404381622 3    371919 3      C-13-H3C(O)CH3
  190148.2054  0.0089 -6.6107 3  371.7466616  595161404381622 1    371919 1      C-13-H3C(O)CH3
  190148.3916  0.0168 -6.7701 3  250.0344488  595161404301812 0    2921 9 0      C-13-H3C(O)CH3
  190176.9495  0.0090 -6.9113 3  371.7167308  595161404381722 4    371819 4      C-13-H3C(O)CH3
  190177.1738  0.0089 -6.9113 3  371.7168308  595161404381722 3    371819 3      C-13-H3C(O)CH3
  190177.9704  0.0030 -4.9900 3  187.9818472  59516140429 722 0    29 723 0      C-13-H3C(O)CH3
  190177.9704  0.0030 -4.9934 3  187.9818472  59516140429 822 0    29 623 0      C-13-H3C(O)CH3
  190178.0563  0.0030 -4.5696 3  187.9818472 -59516140429 722 0    29 623 0      C-13-H3C(O)CH3
  190178.0563  0.0030 -4.5684 3  187.9818472 -59516140429 822 0    29 723 0      C-13-H3C(O)CH3
  190179.4734  0.1820 -6.5567 3 1439.1677580  595161404724429 4    724330 4      C-13-H3C(O)CH3
  190179.7983  0.1974 -6.5567 3 1439.1677580  595161404724429 3    724330 3      C-13-H3C(O)CH3
  190182.1419  0.0089 -6.6105 3  371.7454616  595161404381722 1    371819 1      C-13-H3C(O)CH3
  190192.6785  0.0090 -6.6081 3  371.7426616  595161404381622 2    371919 2      C-13-H3C(O)CH3
  190198.9191  0.0077 -6.6084 3  371.7712616  595161404381622 0    371919 0      C-13-H3C(O)CH3
  190199.6022  0.2516 -6.4907 3  956.3357936  595161404583919 2    583821 2      C-13-H3C(O)CH3
  190200.9511  1.2115 -7.0539 3 1854.3944D20  595161404824834 1    824735 1      C-13-H3C(O)CH3
  190204.0611  0.0177 -5.3196 3  376.4394276  5951614043432 3 3    3431 4 3      C-13-H3C(O)CH3
  190227.8111  0.0090 -6.6079 3  371.7415616  595161404381722 2    371819 2      C-13-H3C(O)CH3
  190229.9105  0.0095 -6.4365 3   82.8691280  5951614041713 5 1    1710 8 1      C-13-H3C(O)CH3
  190232.5989  0.0077 -6.6082 3  371.7701616  595161404381722 0    371819 0      C-13-H3C(O)CH3
  190233.2569  0.0196 -6.3655 3  103.2026156  5951614041914 6 3    1815 3 3      C-13-H3C(O)CH3
  190236.9896  0.0171 -5.0188 3  376.4761552  5951614043432 3 1    3431 4 1      C-13-H3C(O)CH3
  190245.5321  0.0115 -7.1427 3   27.6587168  59516140410 9 2 1     9 8 1 1      C-13-H3C(O)CH3
  190247.7183  0.1417 -5.8109 3 1188.0670A48  595161404654224 2    654125 2      C-13-H3C(O)CH3
  190248.1665  0.0040 -5.5897 3   11.7340136  595161404 8 3 5 0     7 2 6 0      C-13-H3C(O)CH3
  190261.4038  0.0972 -5.7936 3 1021.4556492  595161404613427 3    613328 3      C-13-H3C(O)CH3
  190262.0428  0.0970 -5.7936 3 1021.4557492  595161404613427 4    613328 4      C-13-H3C(O)CH3
  190269.2325  0.0176 -5.3195 3  376.4609276  5951614043432 2 3    3431 3 3      C-13-H3C(O)CH3
  190269.4856  0.0048 -4.7580 3  170.4966228  59516140428 622 4    28 523 4      C-13-H3C(O)CH3
  190269.4856  0.0048 -4.7580 3  170.4966228  59516140428 722 4    28 623 4      C-13-H3C(O)CH3
  190269.5706  0.0040 -5.3122 3  170.4966228  59516140428 622 3    28 623 3      C-13-H3C(O)CH3
  190269.5706  0.0040 -5.3122 3  170.4966228  59516140428 722 3    28 523 3      C-13-H3C(O)CH3
  190269.5706  0.0040 -4.8990 3  170.4966228  59516140428 722 3    28 623 3      C-13-H3C(O)CH3
  190269.5706  0.0040 -4.8990 3  170.4966228  59516140428 622 3    28 523 3      C-13-H3C(O)CH3
  190270.9391  0.0083 -5.4492 3  103.2123312  5951614041914 5 0    1815 4 0      C-13-H3C(O)CH3
  190270.9599  1.4760 -7.3547 3 1854.3958660  595161404824834 4    824735 4      C-13-H3C(O)CH3
  190271.8093  1.4774 -7.3547 3 1854.3958660  595161404824834 3    824735 3      C-13-H3C(O)CH3
  190271.8192  0.1207 -5.8124 3 1188.0702A48  595161404654224 1    654125 1      C-13-H3C(O)CH3
  190281.4425  0.2461 -6.4315 3 1368.4742564  595161404704427 4    704328 4      C-13-H3C(O)CH3
  190282.2349  0.2820 -6.4314 3 1368.4744564  595161404704427 3    704328 3      C-13-H3C(O)CH3
  190283.4268  0.0142 -5.9639 3  164.7707196  5951614042417 7 3    241410 3      C-13-H3C(O)CH3
  190302.1176  0.0015 -4.5571 3   47.9060116 -59516140414 6 8 3    13 7 7 3      C-13-H3C(O)CH3
  190302.2081  0.0216 -6.9803 3  250.0074488  595161404301812 2    2921 9 2      C-13-H3C(O)CH3
  190310.1065  0.0017 -4.5571 3   47.9059116 -59516140414 6 8 4    13 7 7 4      C-13-H3C(O)CH3
  190312.1045  0.0108 -6.6739 3   74.7300264  5951614041613 4 1    1610 7 1      C-13-H3C(O)CH3
  190317.1582  0.0087 -5.4549 3  103.2385312  5951614041914 5 1    1815 3 1      C-13-H3C(O)CH3
  190321.2804  0.0152 -5.0185 3  376.5046552  5951614043432 2 2    3431 3 2      C-13-H3C(O)CH3
  190347.6963  0.0119 -5.7504 3  103.2711156  5951614041914 5 4    1815 3 4      C-13-H3C(O)CH3
  190354.7786  0.0155 -5.0187 3  376.5414552  5951614043432 3 0    3431 4 0      C-13-H3C(O)CH3
  190354.7786  0.0155 -5.0187 3  376.5414552  5951614043432 2 0    3431 3 0      C-13-H3C(O)CH3
  190358.6378  0.0856 -5.5214 3 1020.8062968  595161404604020 0    603921 0      C-13-H3C(O)CH3
  190373.2314  0.0706 -5.4922 3 1021.4455984  595161404613427 1    613328 1      C-13-H3C(O)CH3
  190376.1213  0.0017 -4.2567 3   47.8593232 -59516140414 6 8 2    13 7 7 2      C-13-H3C(O)CH3
  190384.5429  0.0017 -4.2562 3   47.8609232 -59516140414 6 8 1    13 7 7 1      C-13-H3C(O)CH3
  190390.0140  0.0998 -5.4921 3 1021.4474984  595161404613427 2    613328 2      C-13-H3C(O)CH3
  190400.0516  0.0080 -5.4572 3  103.1765312  5951614041914 6 2    1815 4 2      C-13-H3C(O)CH3
  190412.7456  0.0049 -7.1783 3   10.4649 60  595161404 7 6 2 4     6 3 4 4      C-13-H3C(O)CH3
  190418.0277  0.0075 -6.3561 3   67.9081264  59516140416 9 7 2    16 610 2      C-13-H3C(O)CH3
  190418.4320  0.0205 -7.1280 3  250.0198488  595161404301812 1    2921 8 1      C-13-H3C(O)CH3
  190422.7375  0.0111 -5.8692 3  103.1963156  5951614041914 6 3    1815 4 3      C-13-H3C(O)CH3
  190454.2232  0.0017 -4.2567 3   47.8144232 -59516140414 6 8 0    13 7 7 0      C-13-H3C(O)CH3
  190456.3941  0.1277 -6.1205 3 1188.0966524  595161404654224 4    654125 4      C-13-H3C(O)CH3
  190458.7585  0.0070 -6.6629 3   67.9462132  59516140416 9 7 3    16 610 3      C-13-H3C(O)CH3
  190460.3699  0.0037 -4.4757 3  170.4799456  59516140428 622 2    28 623 2      C-13-H3C(O)CH3
  190460.3699  0.0037 -4.4757 3  170.4799456  59516140428 722 2    28 523 2      C-13-H3C(O)CH3
  190460.3833  0.0037 -5.7855 3  170.4799456 -59516140428 722 2    28 623 2      C-13-H3C(O)CH3
  190460.3833  0.0037 -5.7855 3  170.4799456 -59516140428 622 2    28 523 2      C-13-H3C(O)CH3
  190463.5269  0.0133 -7.0721 3   27.6592168  59516140410 9 2 2     9 8 1 2      C-13-H3C(O)CH3
  190464.6405  0.0039 -5.8038 3  170.4806456  59516140428 722 1    28 523 1      C-13-H3C(O)CH3
  190464.6405  0.0039 -5.7270 3  170.4806456  59516140428 622 1    28 623 1      C-13-H3C(O)CH3
  190464.6408  0.0039 -4.4750 3  170.4806456 -59516140428 722 1    28 623 1      C-13-H3C(O)CH3
  190464.6408  0.0039 -4.4789 3  170.4806456 -59516140428 622 1    28 523 1      C-13-H3C(O)CH3
  190486.5825  0.0081 -5.4549 3  103.1638312  5951614041914 6 1    1815 4 1      C-13-H3C(O)CH3
  190490.5609  0.8223 -6.6018 3 1613.2696C24  595161404764828 1    764729 1      C-13-H3C(O)CH3
  190492.5310  0.0173 -5.3188 3  376.4750276  5951614043432 2 4    3431 3 4      C-13-H3C(O)CH3
  190496.7579  0.0102 -6.6628 3   67.9463132  59516140416 9 7 4    16 610 4      C-13-H3C(O)CH3
  190499.8341  0.0719 -5.4918 3 1021.4372984  595161404613427 0    613328 0      C-13-H3C(O)CH3
  190505.1886  0.1800 -6.1086 3 1188.0985524  595161404654224 3    654125 3      C-13-H3C(O)CH3
  190507.0705  1.2481 -7.0529 3 1854.4079D20  595161404824834 0    824735 0      C-13-H3C(O)CH3
  190508.2469  0.0037 -5.8925 3   11.8752 68  595161404 8 4 5 4     7 1 6 4      C-13-H3C(O)CH3
  190511.9389  0.0030 -5.8925 3   11.8752 68  595161404 8 4 5 3     7 1 6 3      C-13-H3C(O)CH3
  190523.8238  0.0072 -6.3523 3   67.8714264  59516140416 9 7 0    16 610 0      C-13-H3C(O)CH3
  190526.5189  0.0155 -5.0179 3  376.5118552  5951614043432 2 1    3431 3 1      C-13-H3C(O)CH3
  190537.0750  0.1037 -7.3240 3 1020.8769484  595161404604021 3    603921 3      C-13-H3C(O)CH3
  190537.1540  0.0137 -5.1538 3  469.9957316  5951614043933 7 4    3932 8 4      C-13-H3C(O)CH3
  190577.2313  1.6000 -7.0527 3 1854.4092D20  595161404824834 2    824735 2      C-13-H3C(O)CH3
  190578.1478  0.0135 -5.1537 3  470.0140316  5951614043933 7 3    3932 8 3      C-13-H3C(O)CH3
  190581.8815  0.0073 -6.3581 3   67.9095264  59516140416 9 7 1    16 610 1      C-13-H3C(O)CH3
  190594.0469  0.9765 -6.9028 3 1613.2764612  595161404764828 4    764729 4      C-13-H3C(O)CH3
  190596.9632  0.1097 -5.5679 3 1020.8447968  595161404604020 1    603921 1      C-13-H3C(O)CH3
  190598.6125  0.0096 -6.4350 3   82.8666280  5951614041713 5 2    1710 8 2      C-13-H3C(O)CH3
  190601.2668  0.9973 -6.9031 3 1613.2767612  595161404764828 3    764729 3      C-13-H3C(O)CH3
  190631.2911  0.0112 -4.8528 3  470.0363632  5951614043933 7 2    3932 8 2      C-13-H3C(O)CH3
  190646.0119  0.0055 -5.6958 3  153.5883220  59516140427 522 4    27 423 4      C-13-H3C(O)CH3
  190646.0119  0.0055 -4.8530 3  153.5883220  59516140427 522 4    27 523 4      C-13-H3C(O)CH3
  190646.0119  0.0055 -4.8530 3  153.5883220  59516140427 622 4    27 423 4      C-13-H3C(O)CH3
  190646.0119  0.0055 -5.6958 3  153.5883220  59516140427 622 4    27 523 4      C-13-H3C(O)CH3
  190646.0313  0.0046 -5.2953 3  153.5883220  59516140427 622 3    27 423 3      C-13-H3C(O)CH3
  190646.0313  0.0046 -4.9596 3  153.5883220  59516140427 522 3    27 423 3      C-13-H3C(O)CH3
  190646.0313  0.0046 -6.4039 3  153.5883220  59516140427 522 3    27 523 3      C-13-H3C(O)CH3
  190646.0313  0.0046 -4.8056 3  153.5883220  59516140427 622 3    27 523 3      C-13-H3C(O)CH3
  190655.0463  0.0035 -4.8470 3  170.4640456  59516140428 622 0    28 523 0      C-13-H3C(O)CH3
  190655.0463  0.0035 -4.6789 3  170.4640456  59516140428 722 0    28 523 0      C-13-H3C(O)CH3
  190655.1021  0.0035 -4.8470 3  170.4640456 -59516140428 722 0    28 623 0      C-13-H3C(O)CH3
  190655.1021  0.0035 -4.6789 3  170.4640456 -59516140428 622 0    28 623 0      C-13-H3C(O)CH3
  190665.7356  0.1244 -5.5717 3 1020.8458968  595161404604020 2    603921 2      C-13-H3C(O)CH3
  190673.0243  0.0115 -4.8526 3  470.0544632  5951614043933 6 2    3932 7 2      C-13-H3C(O)CH3
  190675.9958  0.0120 -4.8526 3  470.0177632  5951614043933 7 1    3932 8 1      C-13-H3C(O)CH3
  190682.3577  0.0109 -6.6797 3   74.7285264  5951614041613 4 2    1610 7 2      C-13-H3C(O)CH3
  190705.3570  0.0039 -5.5900 3   11.8042136  595161404 8 4 5 2     7 1 6 2      C-13-H3C(O)CH3
  190709.0589  0.0134 -5.1534 3  470.0264316  5951614043933 6 3    3932 7 3      C-13-H3C(O)CH3
  190711.0651  0.0038 -5.5902 3   11.8047136  595161404 8 4 5 1     7 1 6 1      C-13-H3C(O)CH3
  190714.8282  0.0098 -6.5785 3   82.8953140  5951614041713 5 3    1710 8 3      C-13-H3C(O)CH3
  190749.5206  0.0142 -5.1532 3  470.0445316  5951614043933 6 4    3932 7 4      C-13-H3C(O)CH3
  190771.0301  0.1317 -5.8350 3 1020.8769484  595161404604020 3    603921 3      C-13-H3C(O)CH3
  190772.0424  0.0115 -4.8525 3  470.0581632  5951614043933 6 0    3932 7 0      C-13-H3C(O)CH3
  190772.0427  0.0115 -4.8525 3  470.0581632  5951614043933 7 0    3932 8 0      C-13-H3C(O)CH3
  190772.3104  0.0196 -7.1254 3   85.3914140  5951614041714 4 4    1711 6 4      C-13-H3C(O)CH3
  190817.2440  0.1141 -5.8501 3 1020.8899484  595161404604020 4    603921 4      C-13-H3C(O)CH3
  190823.6606  0.0132 -6.9385 3   74.7595132  5951614041613 4 3    1610 7 3      C-13-H3C(O)CH3
  190840.9202  0.0108 -5.8663 3  103.2026156  5951614041914 5 3    1815 3 3      C-13-H3C(O)CH3
  190848.7052  0.0117 -4.8521 3  470.0482632  5951614043933 6 1    3932 7 1      C-13-H3C(O)CH3
  190865.1624  0.2033 -6.0968 3 1355.8923B28  595161404704229 0    704130 0      C-13-H3C(O)CH3
  190866.4212  0.0046 -4.4929 3  153.5625440 -59516140427 622 2    27 523 2      C-13-H3C(O)CH3
  190866.4212  0.0046 -4.4929 3  153.5625440 -59516140427 522 2    27 423 2      C-13-H3C(O)CH3
  190866.4323  0.0046 -7.3680 3  153.5625440  59516140427 522 2    27 523 2      C-13-H3C(O)CH3
  190866.4323  0.0046 -7.3680 3  153.5625440  59516140427 622 2    27 423 2      C-13-H3C(O)CH3
  190869.9132  0.0048 -5.3205 3  153.5631440 -59516140427 522 1    27 423 1      C-13-H3C(O)CH3
  190869.9132  0.0048 -5.3205 3  153.5631440 -59516140427 622 1    27 523 1      C-13-H3C(O)CH3
  190869.9271  0.0048 -4.5623 3  153.5631440  59516140427 622 1    27 423 1      C-13-H3C(O)CH3
  190869.9271  0.0048 -4.5623 3  153.5631440  59516140427 522 1    27 523 1      C-13-H3C(O)CH3
  190875.6772  0.0158 -5.9820 3   89.3309148  5951614041812 7 4    1713 4 4      C-13-H3C(O)CH3
  190897.8476  0.0083 -6.6858 3   11.6846120  595161404 7 7 1 0     6 4 2 0      C-13-H3C(O)CH3
  190897.9919  0.1539 -6.0967 3 1355.9044B28  595161404704229 2    704130 2      C-13-H3C(O)CH3
  190906.0469  0.0040 -5.5886 3   11.7338136  595161404 8 4 5 0     7 1 6 0      C-13-H3C(O)CH3
  190909.2214  0.0099 -5.7487 3  103.1278156  5951614041914 6 4    1815 4 4      C-13-H3C(O)CH3
  190914.1753  0.0135 -5.1781 3  555.2418348  595161404433410 3    433311 3      C-13-H3C(O)CH3
  190951.4756  0.0142 -5.7735 3  164.7722392  5951614042417 7 1    241410 1      C-13-H3C(O)CH3
  190964.5086  0.0124 -4.8771 3  555.2629696  5951614044334 9 2    433310 2      C-13-H3C(O)CH3
  190971.7571  0.1882 -6.0964 3 1355.9009B28  595161404704229 1    704130 1      C-13-H3C(O)CH3
  190979.0615  0.0159 -5.1780 3  555.2704348  5951614044334 9 4    433310 4      C-13-H3C(O)CH3
  190980.8848  0.0054 -5.0235 3  137.2740212  59516140426 522 3    26 423 3      C-13-H3C(O)CH3
  190980.8848  0.0054 -5.3355 3  137.2740212  59516140426 522 3    26 323 3      C-13-H3C(O)CH3
  190980.8848  0.0054 -5.3355 3  137.2740212  59516140426 422 3    26 423 3      C-13-H3C(O)CH3
  190980.8848  0.0054 -5.0235 3  137.2740212  59516140426 422 3    26 323 3      C-13-H3C(O)CH3
  190980.9517  0.0062 -4.9617 3  137.2741212  59516140426 522 4    26 423 4      C-13-H3C(O)CH3
  190980.9517  0.0062 -4.9617 3  137.2741212  59516140426 422 4    26 323 4      C-13-H3C(O)CH3
  190980.9517  0.0062 -5.4988 3  137.2741212  59516140426 522 4    26 323 4      C-13-H3C(O)CH3
  190980.9517  0.0062 -5.4988 3  137.2741212  59516140426 422 4    26 423 4      C-13-H3C(O)CH3
  190987.4132  0.3557 -7.1726 3  956.3580468  595161404583919 4    583821 4      C-13-H3C(O)CH3
  190993.8559  0.0034 -4.5319 3  412.8975648  595161404401723 0    401624 0      C-13-H3C(O)CH3
  190993.8872  0.0034 -4.5319 3  412.8975648  595161404401823 0    401724 0      C-13-H3C(O)CH3
  191002.1999  0.0126 -5.1778 3  555.2175348  595161404433410 4    433311 4      C-13-H3C(O)CH3
  191003.6873  0.0039 -4.5318 3  412.8686648  595161404401723 2    401624 2      C-13-H3C(O)CH3
  191003.7217  0.0039 -4.5318 3  412.8686648  595161404401823 2    401724 2      C-13-H3C(O)CH3
  191004.5018  0.0975 -6.3973 3 1355.9130564  595161404704229 4    704130 4      C-13-H3C(O)CH3
  191006.1674  0.1021 -6.3973 3 1355.9131564  595161404704229 3    704130 3      C-13-H3C(O)CH3
  191012.8886  0.0038 -4.5318 3  412.8706648  595161404401723 1    401624 1      C-13-H3C(O)CH3
  191012.9215  0.0038 -4.5318 3  412.8706648  595161404401823 1    401724 1      C-13-H3C(O)CH3
  191022.7394  0.0041 -4.8327 3  412.8415324  595161404401723 4    401624 4      C-13-H3C(O)CH3
  191022.7718  0.0041 -4.8327 3  412.8415324  595161404401723 3    401624 3      C-13-H3C(O)CH3
  191022.7753  0.0041 -4.8327 3  412.8415324  595161404401823 4    401724 4      C-13-H3C(O)CH3
  191022.8080  0.0041 -4.8327 3  412.8415324  595161404401823 3    401724 3      C-13-H3C(O)CH3
  191029.4558  0.0116 -4.8768 3  555.2213696  595161404433410 1    433311 1      C-13-H3C(O)CH3
  191030.4008  0.0203 -6.3618 3  103.1963156  5951614041914 5 3    1815 4 3      C-13-H3C(O)CH3
  191032.6279  0.0273 -7.2604 3  249.9776244  595161404301812 3    2921 9 3      C-13-H3C(O)CH3
  191050.5219  0.0466 -5.5561 3  887.9545460  595161404573126 3    573027 3      C-13-H3C(O)CH3
  191050.9202  0.0467 -5.5561 3  887.9545460  595161404573126 4    573027 4      C-13-H3C(O)CH3
  191052.6225  0.0113 -4.8768 3  555.2388696  595161404433410 2    433311 2      C-13-H3C(O)CH3
  191062.2671  0.0126 -7.1004 3   74.7595132  5951614041613 3 3    1610 7 3      C-13-H3C(O)CH3
  191067.0539  0.1206 -7.3330 3  866.7055888  595161404553818 1    553718 1      C-13-H3C(O)CH3
  191068.2917  0.0138 -5.1777 3  555.2462348  5951614044334 9 3    433310 3      C-13-H3C(O)CH3
  191071.3892  0.0230 -5.4550 3  360.4606268  5951614043332 2 4    3331 3 4      C-13-H3C(O)CH3
  191081.0345  0.0116 -4.8769 3  555.2423696  5951614044334 9 0    433310 0      C-13-H3C(O)CH3
  191081.0704  0.0116 -4.8769 3  555.2423696  595161404433410 0    433311 0      C-13-H3C(O)CH3
  191089.8497  0.0043 -4.5928 3  153.5373440 -59516140427 522 0    27 423 0      C-13-H3C(O)CH3
  191089.8497  0.0043 -4.5928 3  153.5373440 -59516140427 622 0    27 523 0      C-13-H3C(O)CH3
  191089.8580  0.0043 -5.1712 3  153.5373440  59516140427 622 0    27 423 0      C-13-H3C(O)CH3
  191089.8580  0.0043 -5.1712 3  153.5373440  59516140427 522 0    27 523 0      C-13-H3C(O)CH3
  191093.1471  0.0094 -7.2715 3   82.8953140  5951614041713 4 3    1710 8 3      C-13-H3C(O)CH3
  191095.4088  0.0127 -4.8767 3  555.2498696  5951614044334 9 1    433310 1      C-13-H3C(O)CH3
  191104.5994  0.0465 -5.2550 3  887.9499920  595161404573126 2    573027 2      C-13-H3C(O)CH3
  191106.0087  0.0327 -5.2550 3  887.9494920  595161404573126 1    573027 1      C-13-H3C(O)CH3
  191159.1180  0.0324 -5.2549 3  887.9448920  595161404573126 0    573027 0      C-13-H3C(O)CH3
  191180.3107  0.0184 -5.1539 3  360.5314536  5951614043332 2 2    3331 3 2      C-13-H3C(O)CH3
  191193.8407  0.0192 -6.1277 3  164.7713196  5951614042417 7 4    241410 4      C-13-H3C(O)CH3
  191232.2426  0.0058 -5.8367 3  137.2382424  59516140426 422 2    26 423 2      C-13-H3C(O)CH3
  191232.2426  0.0058 -5.8367 3  137.2382424  59516140426 522 2    26 323 2      C-13-H3C(O)CH3
  191232.2679  0.0058 -4.5713 3  137.2382424 -59516140426 522 2    26 423 2      C-13-H3C(O)CH3
  191232.2679  0.0058 -4.5713 3  137.2382424 -59516140426 422 2    26 323 2      C-13-H3C(O)CH3
  191234.8759  0.0061 -4.8800 3  137.2387424 -59516140426 422 1    26 423 1      C-13-H3C(O)CH3
  191234.8759  0.0061 -4.8800 3  137.2387424 -59516140426 522 1    26 323 1      C-13-H3C(O)CH3
  191234.9302  0.0061 -4.8211 3  137.2387424  59516140426 422 1    26 323 1      C-13-H3C(O)CH3
  191234.9302  0.0061 -4.8211 3  137.2387424  59516140426 522 1    26 423 1      C-13-H3C(O)CH3
  191266.1537  0.0116 -5.6391 3  164.7606392  5951614042417 7 0    241410 0      C-13-H3C(O)CH3
  191271.4396  0.0206 -7.0102 3  249.9914488  595161404301812 1    2921 9 1      C-13-H3C(O)CH3
  191277.4944  0.0063 -4.9502 3  121.5550204  59516140425 322 3    25 323 3      C-13-H3C(O)CH3
  191277.4944  0.0063 -6.4362 3  121.5550204  59516140425 322 3    25 223 3      C-13-H3C(O)CH3
  191277.4944  0.0063 -6.4362 3  121.5550204  59516140425 422 3    25 323 3      C-13-H3C(O)CH3
  191277.4944  0.0063 -4.9502 3  121.5550204  59516140425 422 3    25 223 3      C-13-H3C(O)CH3
  191277.6702  0.0071 -5.6731 3  121.5550204  59516140425 322 4    25 223 4      C-13-H3C(O)CH3
  191277.6702  0.0071 -5.0241 3  121.5550204  59516140425 322 4    25 323 4      C-13-H3C(O)CH3
  191277.6702  0.0071 -5.6731 3  121.5550204  59516140425 422 4    25 323 4      C-13-H3C(O)CH3
  191277.6702  0.0071 -5.0241 3  121.5550204  59516140425 422 4    25 223 4      C-13-H3C(O)CH3
  191298.9865  0.0137 -5.7446 3  164.7592392  5951614042417 7 2    241410 2      C-13-H3C(O)CH3
  191318.0913  0.0085 -6.9634 3   11.7539120  595161404 7 7 0 1     6 4 2 1      C-13-H3C(O)CH3
  191324.1790  0.0056 -4.7699 3  590.1515760  595161404472324 0    472225 0      C-13-H3C(O)CH3
  191329.7939  0.0056 -4.7699 3  590.1515760  595161404472424 0    472325 0      C-13-H3C(O)CH3
  191340.8589  0.0204 -5.4541 3  360.4761268  5951614043332 2 3    3331 3 3      C-13-H3C(O)CH3
  191346.2620  0.0201 -5.1534 3  360.5195536  5951614043332 2 1    3331 3 1      C-13-H3C(O)CH3
  191347.3498  0.0083 -4.7697 3  590.1335760  595161404472324 2    472225 2      C-13-H3C(O)CH3
  191353.4044  0.0083 -4.7697 3  590.1335760  595161404472424 2    472325 2      C-13-H3C(O)CH3
  191356.5744  0.0061 -4.7697 3  590.1352760  595161404472324 1    472225 1      C-13-H3C(O)CH3
  191357.9000  0.0081 -4.9228 3   59.7338248 -59516140415 9 6 0    1410 5 0      C-13-H3C(O)CH3
  191362.5050  0.0061 -4.7696 3  590.1352760  595161404472424 1    472325 1      C-13-H3C(O)CH3
  191379.8035  0.0087 -5.0705 3  590.1171380  595161404472324 3    472225 3      C-13-H3C(O)CH3
  191379.8962  0.0088 -5.0705 3  590.1171380  595161404472324 4    472225 4      C-13-H3C(O)CH3
  191380.9554  0.0204 -5.4541 3  360.4994268  5951614043332 1 3    3331 2 3      C-13-H3C(O)CH3
  191381.7463  0.0086 -6.9685 3   11.7525120  595161404 7 7 0 2     6 4 2 2      C-13-H3C(O)CH3
  191386.2007  0.0087 -5.0704 3  590.1172380  595161404472424 3    472325 3      C-13-H3C(O)CH3
  191386.2702  0.0088 -5.0704 3  590.1171380  595161404472424 4    472325 4      C-13-H3C(O)CH3
  191410.2611  0.0064 -6.9966 3   10.3961120  595161404 7 6 2 1     6 3 4 1      C-13-H3C(O)CH3
  191451.7422  0.0177 -5.1531 3  360.5468536  5951614043332 1 2    3331 2 2      C-13-H3C(O)CH3
  191457.4655  0.0179 -5.1534 3  360.5903536  5951614043332 2 0    3331 3 0      C-13-H3C(O)CH3
  191457.4655  0.0179 -5.1534 3  360.5903536  5951614043332 1 0    3331 2 0      C-13-H3C(O)CH3
  191484.9356  0.0317 -7.3304 3  249.9624244  595161404301812 4    2921 9 4      C-13-H3C(O)CH3
  191485.7332  0.0055 -4.8675 3  137.2029424  59516140426 422 0    26 423 0      C-13-H3C(O)CH3
  191485.7332  0.0055 -4.8293 3  137.2029424  59516140426 422 0    26 323 0      C-13-H3C(O)CH3
  191485.7332  0.0055 -4.8675 3  137.2029424  59516140426 522 0    26 323 0      C-13-H3C(O)CH3
  191485.7332  0.0055 -4.8293 3  137.2029424  59516140426 522 0    26 423 0      C-13-H3C(O)CH3
  191508.2331  0.3338 -6.9983 3 1087.4781500  595161404624122 4    624022 4      C-13-H3C(O)CH3
  191522.2082  0.0015 -4.4143 3   51.9498124 -59516140415 510 4    14 6 9 4      C-13-H3C(O)CH3
  191522.2082  0.0015 -4.4143 3   51.9498124 -59516140415 510 3    14 6 9 3      C-13-H3C(O)CH3
  191539.0067  0.0073 -5.1621 3  106.4323196  59516140424 322 3    24 223 3      C-13-H3C(O)CH3
  191539.0067  0.0073 -5.8069 3  106.4323196  59516140424 222 3    24 223 3      C-13-H3C(O)CH3
  191539.0067  0.0073 -5.1621 3  106.4323196  59516140424 222 3    24 123 3      C-13-H3C(O)CH3
  191539.0067  0.0073 -5.8069 3  106.4323196  59516140424 322 3    24 123 3      C-13-H3C(O)CH3
  191539.3155  0.0082 -5.0741 3  106.4323196  59516140424 222 4    24 223 4      C-13-H3C(O)CH3
  191539.3155  0.0082 -5.0741 3  106.4323196  59516140424 322 4    24 123 4      C-13-H3C(O)CH3
  191542.7575  0.0077 -7.0210 3   10.3955120  595161404 7 6 2 2     6 3 4 2      C-13-H3C(O)CH3
  191547.4323  0.0015 -4.4142 3   51.9490124 -59516140415 610 3    14 5 9 3      C-13-H3C(O)CH3
  191547.4323  0.0015 -4.4142 3   51.9491124 -59516140415 610 4    14 5 9 4      C-13-H3C(O)CH3
  191561.0089  0.0074 -4.6438 3  121.5083408  59516140425 322 2    25 223 2      C-13-H3C(O)CH3
  191561.0089  0.0074 -6.2577 3  121.5083408  59516140425 322 2    25 323 2      C-13-H3C(O)CH3
  191561.0089  0.0074 -6.2577 3  121.5083408  59516140425 422 2    25 223 2      C-13-H3C(O)CH3
  191561.0089  0.0074 -4.6438 3  121.5083408  59516140425 422 2    25 323 2      C-13-H3C(O)CH3
  191562.8623  0.0077 -4.6338 3  121.5088408  59516140425 422 1    25 323 1      C-13-H3C(O)CH3
  191562.8623  0.0077 -4.6338 3  121.5088408  59516140425 322 1    25 223 1      C-13-H3C(O)CH3
  191595.1362  0.0016 -4.1131 3   51.9045248 -59516140415 510 1    14 6 9 1      C-13-H3C(O)CH3
  191596.8351  0.0016 -4.1133 3   51.9033248 -59516140415 510 2    14 6 9 2      C-13-H3C(O)CH3
  191620.7446  0.0016 -4.1130 3   51.9038248 -59516140415 610 1    14 5 9 1      C-13-H3C(O)CH3
  191623.1500  0.0016 -4.1132 3   51.9026248 -59516140415 610 2    14 5 9 2      C-13-H3C(O)CH3
  191625.6480  0.0465 -5.2655 3  866.6623888  595161404553817 0    553718 0      C-13-H3C(O)CH3
  191637.8853  0.1769 -6.7703 3 1087.4384A00  595161404624122 1    624022 1      C-13-H3C(O)CH3
  191649.2519  0.1822 -6.6921 3 1087.4370A00  595161404624122 2    624022 2      C-13-H3C(O)CH3
  191649.5898  0.0407 -5.5673 3  866.7612444  595161404553817 4    553718 4      C-13-H3C(O)CH3
  191652.0767  0.0201 -5.4533 3  360.5148268  5951614043332 1 4    3331 2 4      C-13-H3C(O)CH3
  191657.6587  0.0508 -5.2691 3  866.7055888  595161404553817 1    553718 1      C-13-H3C(O)CH3
  191658.2966  0.0183 -5.1525 3  360.5583536  5951614043332 1 1    3331 2 1      C-13-H3C(O)CH3
  191664.7402  0.0786 -5.5156 3 1020.7552968  595161404604021 0    603922 0      C-13-H3C(O)CH3
  191669.5768  0.0016 -4.1131 3   51.8582248 -59516140415 510 0    14 6 9 0      C-13-H3C(O)CH3
  191687.8955  0.0406 -5.2678 3  866.7153888  595161404553817 2    553718 2      C-13-H3C(O)CH3
  191696.3190  0.0016 -4.1130 3   51.8575248 -59516140415 610 0    14 5 9 0      C-13-H3C(O)CH3
  191720.0650  0.1550 -6.6302 3  866.7346444  595161404553818 3    553718 3      C-13-H3C(O)CH3
  191728.7176  0.0086 -4.9506 3   59.7589248  59516140415 9 6 2    1410 5 2      C-13-H3C(O)CH3
  191745.0989  0.0376 -5.5531 3  887.9582460  595161404573226 4    573127 4      C-13-H3C(O)CH3
  191745.6277  0.0373 -5.5531 3  887.9582460  595161404573226 3    573127 3      C-13-H3C(O)CH3
  191757.6885  0.0079 -7.2421 3   11.8232 60  595161404 7 7 0 4     6 4 2 4      C-13-H3C(O)CH3
  191765.0879  0.0815 -5.5629 3 1020.7877968  595161404604021 1    603922 1      C-13-H3C(O)CH3
  191766.2763  0.0364 -5.2521 3  887.9533920  595161404573226 2    573127 2      C-13-H3C(O)CH3
  191768.3738  0.0086 -5.3920 3   91.9070188  59516140423 122 3    23 123 3      C-13-H3C(O)CH3
  191768.3738  0.0086 -5.3920 3   91.9070188  59516140423 222 3    23 023 3      C-13-H3C(O)CH3
  191768.3738  0.0086 -6.2559 3   91.9070188  59516140423 122 3    23 023 3      C-13-H3C(O)CH3
  191768.3738  0.0086 -6.2559 3   91.9070188  59516140423 222 3    23 123 3      C-13-H3C(O)CH3
  191768.8411  0.0094 -5.3364 3   91.9070188  59516140423 222 4    23 123 4      C-13-H3C(O)CH3
  191768.8411  0.0094 -5.3364 3   91.9070188  59516140423 122 4    23 023 4      C-13-H3C(O)CH3
  191769.3274  0.0305 -5.2521 3  887.9529920  595161404573226 1    573127 1      C-13-H3C(O)CH3
  191781.3289  0.0784 -5.5669 3 1020.7877968  595161404604021 2    603922 2      C-13-H3C(O)CH3
  191790.5277  0.0293 -5.2521 3  887.9481920  595161404573226 0    573127 0      C-13-H3C(O)CH3
  191794.3332  0.0460 -5.2647 3  866.6559888  595161404553818 0    553719 0      C-13-H3C(O)CH3
  191825.5159  0.0065 -5.5890 3  159.9967392  5951614042415 9 0    241212 0      C-13-H3C(O)CH3
  191829.9451  0.0065 -6.1953 3   82.8407280  5951614041713 5 0    1710 8 0      C-13-H3C(O)CH3
  191835.1476  0.0083 -5.5912 3  159.9948392  5951614042415 9 2    241212 2      C-13-H3C(O)CH3
  191845.6708  0.0070 -5.5919 3  121.4621408 -59516140425 422 0    25 323 0      C-13-H3C(O)CH3
  191845.6708  0.0070 -5.5919 3  121.4621408 -59516140425 322 0    25 223 0      C-13-H3C(O)CH3
  191845.7286  0.0070 -4.6822 3  121.4621408  59516140425 422 0    25 223 0      C-13-H3C(O)CH3
  191845.7286  0.0070 -4.6822 3  121.4621408  59516140425 322 0    25 323 0      C-13-H3C(O)CH3
  191846.5985  0.0025 -6.6645 3   30.3606 92  59516140411 7 4 4    10 6 4 4      C-13-H3C(O)CH3
  191855.7093  0.0094 -6.1200 3  106.3739392  59516140424 322 2    24 223 2      C-13-H3C(O)CH3
  191855.7093  0.0094 -6.1200 3  106.3739392  59516140424 222 2    24 123 2      C-13-H3C(O)CH3
  191855.7093  0.0094 -4.7902 3  106.3739392  59516140424 322 2    24 123 2      C-13-H3C(O)CH3
  191855.7093  0.0094 -4.7902 3  106.3739392  59516140424 222 2    24 223 2      C-13-H3C(O)CH3
  191856.3851  0.0462 -5.6050 3  866.7346444  595161404553817 3    553718 3      C-13-H3C(O)CH3
  191856.7064  0.0097 -4.7842 3  106.3744392  59516140424 322 1    24 223 1      C-13-H3C(O)CH3
  191856.7064  0.0097 -6.2806 3  106.3744392  59516140424 322 1    24 123 1      C-13-H3C(O)CH3
  191856.7064  0.0097 -4.7842 3  106.3744392  59516140424 222 1    24 123 1      C-13-H3C(O)CH3
  191856.7064  0.0097 -6.2806 3  106.3744392  59516140424 222 1    24 223 1      C-13-H3C(O)CH3
  191858.2793  0.0104 -5.5681 3   89.2871296  5951614041812 7 1    1713 4 1      C-13-H3C(O)CH3
  191863.8842  0.0099 -5.5440 3   89.2875296  5951614041812 7 2    1713 4 2      C-13-H3C(O)CH3
  191884.9774  0.0073 -5.2165 3   59.7972124  59516140415 9 6 3    1410 5 3      C-13-H3C(O)CH3
  191898.6052  0.0015 -4.5472 3   47.8640116 -59516140414 7 8 4    13 6 7 4      C-13-H3C(O)CH3
  191907.6832  0.0017 -4.5472 3   47.8637116 -59516140414 7 8 3    13 6 7 3      C-13-H3C(O)CH3
  191916.8382  0.0463 -5.2682 3  866.6771888  595161404553818 1    553719 1      C-13-H3C(O)CH3
  191931.7412  0.1093 -5.6317 3 1087.4012A00  595161404624121 0    624022 0      C-13-H3C(O)CH3
  191936.9013  0.3268 -6.3303 3 1481.5948B76  595161404734529 0    734430 0      C-13-H3C(O)CH3
  191949.5062  0.0031 -7.0142 3   30.2994184  59516140411 7 4 2    10 6 4 2      C-13-H3C(O)CH3
  191952.1410  0.0027 -6.9008 3   30.3028184  59516140411 7 4 1    10 6 4 1      C-13-H3C(O)CH3
  191965.4689  0.1048 -5.8455 3 1020.8149484  595161404604021 4    603922 4      C-13-H3C(O)CH3
  191984.1217  0.0156 -5.3841 3   27.6755 84 -59516140410 9 2 3     9 8 1 3      C-13-H3C(O)CH3
  191989.0813  0.0515 -5.6045 3  866.7256444  595161404553818 3    553719 3      C-13-H3C(O)CH3
  191991.4903  0.0136 -7.0853 3  583.3846776  595161404481929 1    472226 1      C-13-H3C(O)CH3
  191991.5352  0.0136 -7.0853 3  583.3846776  595161404482029 1    472126 1      C-13-H3C(O)CH3
  192003.9087  0.0511 -5.2666 3  866.6806888  595161404553818 2    553719 2      C-13-H3C(O)CH3
  192005.2317  0.0149 -7.0836 3  583.3831776  595161404481929 2    472226 2      C-13-H3C(O)CH3
  192005.2777  0.0149 -7.0836 3  583.3831776  595161404482029 2    472126 2      C-13-H3C(O)CH3
  192006.6581  0.0017 -4.2461 3   47.8181232 -59516140414 7 8 1    13 6 7 1      C-13-H3C(O)CH3
  192011.8160  0.0883 -5.8295 3 1020.8277484  595161404604021 3    603922 3      C-13-H3C(O)CH3
  192015.5345  0.0198 -6.6708 3  167.9169376  5951614042321 3 0    2222 0 0      C-13-H3C(O)CH3
  192015.5351  0.0198 -6.6708 3  167.9169376  5951614042321 2 0    2222 1 0      C-13-H3C(O)CH3
  192016.2674  0.0082 -5.5943 3  159.9997392  5951614042415 9 1    241212 1      C-13-H3C(O)CH3
  192020.4065  0.3483 -6.3300 3 1481.6059B76  595161404734529 2    734430 2      C-13-H3C(O)CH3
  192020.7654  0.0029 -4.4186 3   27.6065 84 -59516140410 9 2 4     9 8 2 4      C-13-H3C(O)CH3
  192024.8890  0.0112 -5.8974 3  159.9978196  5951614042415 9 3    241212 3      C-13-H3C(O)CH3
  192028.1168  0.0018 -4.2464 3   47.8158232 -59516140414 7 8 2    13 6 7 2      C-13-H3C(O)CH3
  192031.6332  0.0085 -4.9555 3   59.7554248  59516140415 9 6 1    1410 5 1      C-13-H3C(O)CH3
  192032.3158  0.0097 -5.8977 3  159.9979196  5951614042415 9 4    241212 4      C-13-H3C(O)CH3
  192046.5744  0.0111 -7.0846 3  583.4022776  595161404481929 0    472226 0      C-13-H3C(O)CH3
  192046.6153  0.0111 -7.0846 3  583.4022776  595161404482029 0    472126 0      C-13-H3C(O)CH3
  192055.5489  0.0264 -5.7158 3  344.9980260  5951614043232 1 4    3231 2 4      C-13-H3C(O)CH3
  192062.4225  0.0049 -7.1342 3   80.6461280  5951614041712 5 1    17 9 9 1      C-13-H3C(O)CH3
  192063.9907  0.0049 -7.2361 3   80.6437280  5951614041712 5 2    17 9 9 2      C-13-H3C(O)CH3
  192081.8537  0.6287 -6.4424 3 1531.7313B92  595161404744727 0    744628 0      C-13-H3C(O)CH3
  192092.5630  0.1591 -5.9304 3 1259.8672A80  595161404674325 0    674226 0      C-13-H3C(O)CH3
  192100.1064  0.0032 -4.5023 3  388.9416632 -595161404391723 0    391624 0      C-13-H3C(O)CH3
  192100.1064  0.0032 -4.5023 3  388.9416632 -595161404391623 0    391524 0      C-13-H3C(O)CH3
  192101.4932  0.0037 -4.5022 3  388.9127632 -595161404391623 2    391524 2      C-13-H3C(O)CH3
  192101.4932  0.0037 -4.5022 3  388.9127632 -595161404391723 2    391624 2      C-13-H3C(O)CH3
  192110.3045  0.0036 -4.5022 3  388.9146632 -595161404391623 1    391524 1      C-13-H3C(O)CH3
  192110.3045  0.0036 -4.5022 3  388.9146632 -595161404391723 1    391624 1      C-13-H3C(O)CH3
  192111.7617  0.0038 -4.8032 3  388.8855316 -595161404391723 3    391624 3      C-13-H3C(O)CH3
  192111.7617  0.0038 -4.8032 3  388.8855316 -595161404391623 3    391524 3      C-13-H3C(O)CH3
  192111.7617  0.0038 -4.8032 3  388.8855316 -595161404391623 4    391524 4      C-13-H3C(O)CH3
  192111.7617  0.0038 -4.8032 3  388.8855316 -595161404391723 4    391624 4      C-13-H3C(O)CH3
  192119.1161  0.0117 -5.7435 3   91.8362376  59516140423 222 2    23 123 2      C-13-H3C(O)CH3
  192119.1161  0.0117 -5.7435 3   91.8362376  59516140423 122 2    23 023 2      C-13-H3C(O)CH3
  192119.1161  0.0117 -5.1272 3   91.8362376  59516140423 222 2    23 023 2      C-13-H3C(O)CH3
  192119.1161  0.0117 -5.1272 3   91.8362376  59516140423 122 2    23 123 2      C-13-H3C(O)CH3
  192119.2408  0.0120 -6.7214 3   91.8366376  59516140423 222 1    23 123 1      C-13-H3C(O)CH3
  192119.2408  0.0120 -5.0423 3   91.8366376  59516140423 122 1    23 123 1      C-13-H3C(O)CH3
  192119.2408  0.0120 -5.0423 3   91.8366376  59516140423 222 1    23 023 1      C-13-H3C(O)CH3
  192119.2408  0.0120 -6.7214 3   91.8366376  59516140423 122 1    23 023 1      C-13-H3C(O)CH3
  192125.4014  0.1741 -6.6283 3  866.7256444  595161404553817 3    553719 3      C-13-H3C(O)CH3
  192131.2725  0.0017 -4.2464 3   47.7702232 -59516140414 7 8 0    13 6 7 0      C-13-H3C(O)CH3
  192136.0033  0.0150 -5.1732 3  451.5245308  5951614043833 6 4    3832 7 4      C-13-H3C(O)CH3
  192152.9063  0.0179 -7.1200 3  103.1765312  5951614041914 5 2    1815 4 2      C-13-H3C(O)CH3
  192155.5888  0.0215 -5.4148 3  345.0741520  5951614043232 1 2    3231 2 2      C-13-H3C(O)CH3
  192172.6587  0.0090 -4.7699 3  106.3161392  59516140424 322 0    24 123 0      C-13-H3C(O)CH3
  192172.6587  0.0090 -7.2624 3  106.3161392  59516140424 222 0    24 123 0      C-13-H3C(O)CH3
  192172.6587  0.0090 -7.2624 3  106.3161392  59516140424 322 0    24 223 0      C-13-H3C(O)CH3
  192172.6587  0.0090 -4.7699 3  106.3161392  59516140424 222 0    24 223 0      C-13-H3C(O)CH3
  192173.4300  0.0027 -4.4671 3   27.6755 84  59516140410 9 1 3     9 8 1 3      C-13-H3C(O)CH3
  192173.7491  0.1396 -5.6637 3 1087.4384A00  595161404624121 1    624022 1      C-13-H3C(O)CH3
  192178.8744  0.0084 -6.4091 3   74.7001264  5951614041613 4 0    1610 7 0      C-13-H3C(O)CH3
  192190.8050  0.0028 -4.4669 3   27.6686 84  59516140410 9 2 3     9 8 2 3      C-13-H3C(O)CH3
  192192.8222  0.2937 -6.3295 3 1481.6062B76  595161404734529 1    734430 1      C-13-H3C(O)CH3
  192195.1302  0.0571 -5.5653 3  866.6992444  595161404553818 4    553719 4      C-13-H3C(O)CH3
  192216.0871  0.1829 -5.6704 3 1087.4370A00  595161404624121 2    624022 2      C-13-H3C(O)CH3
  192225.0406  0.0142 -5.1729 3  451.5420308  5951614043833 6 3    3832 7 3      C-13-H3C(O)CH3
  192228.3664  0.0077 -5.9261 3  109.3797328  5951614042012 8 2    20 911 2      C-13-H3C(O)CH3
  192233.4472  0.0119 -4.8722 3  451.5709616  5951614043833 6 2    3832 7 2      C-13-H3C(O)CH3
  192240.4920  0.7871 -6.4425 3 1531.7418B92  595161404744727 2    744628 2      C-13-H3C(O)CH3
  192242.4758  0.0076 -5.9228 3  109.3635328  5951614042012 8 0    20 911 0      C-13-H3C(O)CH3
  192245.7712  0.1349 -7.3166 3 1020.8277484  595161404604020 3    603922 3      C-13-H3C(O)CH3
  192256.0403  0.0194 -6.6702 3  167.8328376  5951614042321 3 1    2222 1 1      C-13-H3C(O)CH3
  192275.2329  0.2756 -6.6303 3 1481.6173588  595161404734529 3    734430 3      C-13-H3C(O)CH3
  192277.0956  0.2562 -6.6302 3 1481.6173588  595161404734529 4    734430 4      C-13-H3C(O)CH3
  192288.8217  0.1975 -5.9303 3 1259.8916A80  595161404674325 2    674226 2      C-13-H3C(O)CH3
  192298.8961  0.0030 -4.1161 3   27.5902168 -59516140410 9 2 1     9 8 2 1      C-13-H3C(O)CH3
  192307.1165  0.2003 -6.4980 3 1020.7877968  595161404604020 1    603922 1      C-13-H3C(O)CH3
  192307.6850  0.0127 -4.8719 3  451.5529616  5951614043833 6 1    3832 7 1      C-13-H3C(O)CH3
  192323.5753  0.0117 -4.8719 3  451.5882616  5951614043833 5 2    3832 6 2      C-13-H3C(O)CH3
  192324.5489  0.0145 -7.1881 3   67.0349124  5951614041513 3 4    1510 6 4      C-13-H3C(O)CH3
  192330.1306  0.0038 -6.8316 3   10.4651 60  595161404 7 6 1 3     6 3 4 3      C-13-H3C(O)CH3
  192335.0587  0.0029 -4.1159 3   27.5967168 -59516140410 9 2 2     9 8 2 2      C-13-H3C(O)CH3
  192338.2935  0.0139 -5.1727 3  451.5574308  5951614043833 5 3    3832 6 3      C-13-H3C(O)CH3
  192343.6791  0.1502 -5.9312 3 1259.8959A80  595161404674325 1    674226 1      C-13-H3C(O)CH3
  192344.3469  0.0021 -4.4162 3   27.7376 84 -59516140410 9 1 4     9 8 1 4      C-13-H3C(O)CH3
  192346.2369  0.0236 -5.4142 3  345.0652520  5951614043232 1 1    3231 2 1      C-13-H3C(O)CH3
  192371.2758  0.0239 -5.7148 3  345.0155260  5951614043232 1 3    3231 2 3      C-13-H3C(O)CH3
  192372.2010  0.1481 -5.9331 3 1087.4702500  595161404624121 3    624022 3      C-13-H3C(O)CH3
  192380.1879  0.0155 -5.3829 3   27.6686 84  59516140410 9 1 3     9 8 2 3      C-13-H3C(O)CH3
  192384.9010  0.0239 -5.7149 3  345.0401260  5951614043232 0 3    3231 1 3      C-13-H3C(O)CH3
  192387.6309  0.0077 -7.1373 3   80.6743140  5951614041712 5 4    17 9 9 4      C-13-H3C(O)CH3
  192395.9301  0.0179 -6.6679 3  167.8911376  5951614042321 2 2    2222 0 2      C-13-H3C(O)CH3
  192406.5099  0.0095 -6.5664 3   82.8691280  5951614041713 4 1    1710 8 1      C-13-H3C(O)CH3
  192406.7836  0.2892 -6.4646 3 1020.7877968  595161404604020 2    603922 2      C-13-H3C(O)CH3
  192407.1803  0.0119 -4.8719 3  451.5992616  5951614043833 6 0    3832 7 0      C-13-H3C(O)CH3
  192407.1803  0.0119 -4.8719 3  451.5992616  5951614043833 5 0    3832 6 0      C-13-H3C(O)CH3
  192409.6508  0.0169 -5.2407 3  626.1342372  595161404463511 4    463412 4      C-13-H3C(O)CH3
  192422.5102  0.0156 -5.2703 3  626.1064372  595161404463512 3    463412 3      C-13-H3C(O)CH3
  192423.3890  0.0802 -6.4201 3  626.1063372  595161404463512 3    463413 3      C-13-H3C(O)CH3
  192427.2211  0.0142 -5.1724 3  451.5746308  5951614043833 5 4    3832 6 4      C-13-H3C(O)CH3
  192428.5265  0.0134 -4.9397 3  626.1143744  595161404463511 2    463412 2      C-13-H3C(O)CH3
  192431.8118  0.0082 -6.2332 3  109.3987164  5951614042012 8 3    20 911 3      C-13-H3C(O)CH3
  192432.5283  0.1806 -5.9702 3 1087.4781500  595161404624121 4    624022 4      C-13-H3C(O)CH3
  192436.8173  0.0016 -4.3157 3   55.4134132 -59516140416 412 4    15 511 4      C-13-H3C(O)CH3
  192436.8173  0.0016 -4.3157 3   55.4134132 -59516140416 512 3    15 411 3      C-13-H3C(O)CH3
  192436.8173  0.0016 -4.3157 3   55.4134132 -59516140416 512 4    15 411 4      C-13-H3C(O)CH3
  192436.8173  0.0016 -4.3157 3   55.4134132 -59516140416 412 3    15 511 3      C-13-H3C(O)CH3
  192444.9836  0.0192 -6.6683 3  167.8723376  5951614042321 2 1    2222 0 1      C-13-H3C(O)CH3
  192448.4618  0.0206 -5.4142 3  345.1413520  5951614043232 1 0    3231 1 0      C-13-H3C(O)CH3
  192448.4618  0.0206 -5.4142 3  345.1413520  5951614043232 0 0    3231 2 0      C-13-H3C(O)CH3
  192452.6824  0.0199 -6.6685 3  167.8367376  5951614042321 3 2    2222 1 2      C-13-H3C(O)CH3
  192455.2222  0.0078 -5.9290 3  109.3825328  5951614042012 8 1    20 911 1      C-13-H3C(O)CH3
  192456.0135  0.0206 -7.2149 3  423.6774632  595161404392416 0    382711 0      C-13-H3C(O)CH3
  192457.0607  0.0115 -6.2333 3  109.3988164  5951614042012 8 4    20 911 4      C-13-H3C(O)CH3
  192460.9798  0.0025 -4.1149 3   27.6587168 -59516140410 9 1 1     9 8 1 1      C-13-H3C(O)CH3
  192469.1215  0.0114 -6.0996 3   91.7660376  59516140423 222 0    23 123 0      C-13-H3C(O)CH3
  192469.1215  0.0114 -5.0698 3   91.7660376  59516140423 222 0    23 023 0      C-13-H3C(O)CH3
  192469.1215  0.0114 -5.0698 3   91.7660376  59516140423 122 0    23 123 0      C-13-H3C(O)CH3
  192469.1215  0.0114 -6.0996 3   91.7660376  59516140423 122 0    23 023 0      C-13-H3C(O)CH3
  192473.4104  0.0208 -5.4138 3  345.0915520  5951614043232 0 2    3231 1 2      C-13-H3C(O)CH3
  192492.8801  0.0093 -6.5713 3   82.8666280  5951614041713 4 2    1710 8 2      C-13-H3C(O)CH3
  192493.5038  0.0028 -4.1147 3   27.6592168 -59516140410 9 1 2     9 8 1 2      C-13-H3C(O)CH3
  192496.6345  0.0017 -4.0145 3   55.3665264 -59516140416 412 1    15 511 1      C-13-H3C(O)CH3
  192496.6345  0.0017 -4.0145 3   55.3664264 -59516140416 512 1    15 411 1      C-13-H3C(O)CH3
  192497.5183  0.0017 -4.0146 3   55.3656264 -59516140416 412 2    15 511 2      C-13-H3C(O)CH3
  192497.5183  0.0017 -4.0146 3   55.3656264 -59516140416 512 2    15 411 2      C-13-H3C(O)CH3
  192498.8579  0.0185 -4.9882 3  731.9909840  595161404522725 2    522626 2      C-13-H3C(O)CH3
  192500.3114  0.0120 -4.9883 3  731.9965840  595161404522725 0    522626 0      C-13-H3C(O)CH3
  192504.6923  0.0192 -5.2891 3  731.9863420  595161404522725 3    522626 3      C-13-H3C(O)CH3
  192504.8441  0.0193 -5.2891 3  731.9863420  595161404522725 4    522626 4      C-13-H3C(O)CH3
  192506.2858  0.0129 -4.9882 3  731.9918840  595161404522725 1    522626 1      C-13-H3C(O)CH3
  192507.4430  0.1398 -7.3263 3  866.6771888  595161404553817 1    553719 1      C-13-H3C(O)CH3
  192511.1908  0.0118 -4.8713 3  451.5856616  5951614043833 5 1    3832 6 1      C-13-H3C(O)CH3
  192515.3529  0.0029 -7.0194 3   58.5514124  59516140415 8 7 4    14 9 5 4      C-13-H3C(O)CH3
  192520.1203  0.6148 -6.4407 3 1531.7457B92  595161404744727 1    744628 1      C-13-H3C(O)CH3
  192522.9572  0.0136 -4.9394 3  626.0991744  595161404463511 1    463412 1      C-13-H3C(O)CH3
  192531.8609  0.0153 -6.7843 3   85.3622280  5951614041714 4 1    1711 6 1      C-13-H3C(O)CH3
  192533.0626  0.1710 -6.2335 3 1259.9200540  595161404674325 4    674226 4      C-13-H3C(O)CH3
  192535.1074  0.0127 -4.9393 3  626.0713744  595161404463512 1    463413 1      C-13-H3C(O)CH3
  192541.9091  0.0123 -4.9394 3  626.0792744  595161404463511 0    463412 0      C-13-H3C(O)CH3
  192542.3199  0.0123 -4.9394 3  626.0792744  595161404463512 0    463413 0      C-13-H3C(O)CH3
  192545.4451  0.2254 -6.2305 3 1259.9209540  595161404674325 3    674226 3      C-13-H3C(O)CH3
  192548.1681  0.0028 -4.1138 3   27.5821168 -59516140410 9 2 0     9 8 1 0      C-13-H3C(O)CH3
  192556.9210  0.0180 -7.2514 3  103.1638312  5951614041914 5 1    1815 4 1      C-13-H3C(O)CH3
  192557.2927  0.0016 -4.0144 3   55.3188264 -59516140416 412 0    15 511 0      C-13-H3C(O)CH3
  192557.2927  0.0016 -4.0144 3   55.3188264 -59516140416 512 0    15 411 0      C-13-H3C(O)CH3
  192569.3509  0.0119 -4.9880 3  731.9968840  595161404522825 0    522726 0      C-13-H3C(O)CH3
  192572.3417  0.0177 -4.9879 3  731.9913840  595161404522825 2    522726 2      C-13-H3C(O)CH3
  192573.6982  0.0792 -6.4197 3  626.1064372  595161404463511 3    463412 3      C-13-H3C(O)CH3
  192574.5770  0.0157 -5.2699 3  626.1063372  595161404463511 3    463413 3      C-13-H3C(O)CH3
  192575.6462  0.0589 -5.7837 3 1021.4703492  595161404613527 4    613428 4      C-13-H3C(O)CH3
  192576.7458  0.0584 -5.7837 3 1021.4703492  595161404613527 3    613428 3      C-13-H3C(O)CH3
  192579.2361  0.0129 -4.9878 3  731.9921840  595161404522825 1    522726 1      C-13-H3C(O)CH3
  192582.3170  0.0185 -5.2887 3  731.9866420  595161404522825 4    522726 4      C-13-H3C(O)CH3
  192582.3523  0.0184 -5.2887 3  731.9866420  595161404522825 3    522726 3      C-13-H3C(O)CH3
  192586.0948  0.0142 -5.2401 3  626.0784372  595161404463512 4    463413 4      C-13-H3C(O)CH3
  192592.5364  0.0126 -4.9392 3  626.0864744  595161404463512 2    463413 2      C-13-H3C(O)CH3
  192604.4234  0.0058 -5.2215 3   89.2474296  5951614041812 7 0    1713 4 0      C-13-H3C(O)CH3
  192606.2341  0.0578 -5.4826 3 1021.4611984  595161404613527 2    613428 2      C-13-H3C(O)CH3
  192607.6726  0.0555 -5.4826 3 1021.4594984  595161404613527 1    613428 1      C-13-H3C(O)CH3
  192611.9220  0.0114 -6.7484 3   74.7300264  5951614041613 3 1    1610 7 1      C-13-H3C(O)CH3
  192632.8216  0.0194 -6.9683 3  167.8070188  5951614042321 2 3    2222 0 3      C-13-H3C(O)CH3
  192638.3421  0.0548 -5.4825 3 1021.4503984  595161404613527 0    613428 0      C-13-H3C(O)CH3
  192657.2091  0.0053 -7.2380 3   58.5089248  59516140415 8 7 1    14 9 5 1      C-13-H3C(O)CH3
  192672.0839  0.2914 -6.2635 3 1445.4805B60  595161404724528 0    724429 0      C-13-H3C(O)CH3
  192672.9742  0.7364 -6.7417 3 1531.7562596  595161404744727 4    744628 4      C-13-H3C(O)CH3
  192674.1995  0.0028 -4.1133 3   27.5789168 -59516140410 9 1 0     9 8 2 0      C-13-H3C(O)CH3
  192678.3307  0.0216 -5.4133 3  345.1073520  5951614043232 0 1    3231 1 1      C-13-H3C(O)CH3
  192681.8139  0.7588 -6.7421 3 1531.7564596  595161404744727 3    744628 3      C-13-H3C(O)CH3
  192689.1660  0.0194 -6.9689 3  167.7527188  5951614042321 3 4    2222 1 4      C-13-H3C(O)CH3
  192702.8553  0.0237 -5.7139 3  345.0575260  5951614043232 0 4    3231 1 4      C-13-H3C(O)CH3
  192748.2280  0.0109 -6.7451 3   74.7285264  5951614041613 3 2    1610 7 2      C-13-H3C(O)CH3
  192762.0574  0.0210 -7.0032 3  356.4659584  595161404362116 2    352411 2      C-13-H3C(O)CH3
  192764.9937  0.0111 -5.3058 3   59.7694124  59516140415 9 6 4    1410 5 4      C-13-H3C(O)CH3
  192788.1542  0.1788 -7.2649 3 1156.1607A32  595161404644223 1    644123 1      C-13-H3C(O)CH3
  192791.3245  0.3558 -6.2632 3 1445.4943B60  595161404724528 2    724429 2      C-13-H3C(O)CH3
  192802.1836  0.1540 -7.2576 3 1156.1573A32  595161404644223 2    644123 2      C-13-H3C(O)CH3
  192822.3674  0.0216 -6.9665 3  167.8464188  5951614042321 2 4    2222 0 4      C-13-H3C(O)CH3
  192837.4936  0.3099 -7.2507 3 1156.1949516  595161404644223 4    644123 4      C-13-H3C(O)CH3
  192843.7589  0.0152 -6.1283 3  149.0413360  5951614042219 4 0    2120 1 0      C-13-H3C(O)CH3
  192843.8285  0.0152 -6.1283 3  149.0413360  5951614042219 3 0    2120 2 0      C-13-H3C(O)CH3
  192845.6589  0.0809 -6.0382 3 1163.8599524  595161404653828 4    653729 4      C-13-H3C(O)CH3
  192847.3006  0.0801 -6.0382 3 1163.8599524  595161404653828 3    653729 3      C-13-H3C(O)CH3
  192854.9908  0.0837 -5.7372 3 1163.8497A48  595161404653828 2    653729 2      C-13-H3C(O)CH3
  192864.7541  0.0248 -7.3051 3  356.4407292  595161404362116 4    352411 4      C-13-H3C(O)CH3
  192865.5846  0.0954 -5.7371 3 1163.8467A48  595161404653828 1    653729 1      C-13-H3C(O)CH3
  192866.4405  0.0222 -7.3045 3  356.4408292  595161404362116 3    352411 3      C-13-H3C(O)CH3
  192875.0718  0.0969 -5.7371 3 1163.8366A48  595161404653828 0    653729 0      C-13-H3C(O)CH3
  192878.0465  0.0186 -6.9671 3  167.7921188  5951614042321 3 3    2222 1 3      C-13-H3C(O)CH3
  192898.2992  0.0133 -5.7664 3   69.0421132  5951614041610 6 4    1511 4 4      C-13-H3C(O)CH3
  192915.7791  0.0235 -5.4369 3  781.8503420  595161404523715 4    523616 4      C-13-H3C(O)CH3
  192949.7232  0.0129 -6.8574 3   82.8947140  5951614041713 4 4    1710 8 4      C-13-H3C(O)CH3
  192953.7399  0.2665 -6.2627 3 1445.4975B60  595161404724528 1    724429 1      C-13-H3C(O)CH3
  192958.6690  0.1512 -5.9717 3 1125.7238516  595161404643628 3    643529 3      C-13-H3C(O)CH3
  192959.2260  0.1505 -5.9717 3 1125.7239516  595161404643628 4    643529 4      C-13-H3C(O)CH3
  192960.5894  0.0054 -6.5211 3   10.3267120  595161404 7 6 1 0     6 3 4 0      C-13-H3C(O)CH3
  192965.1359  0.0188 -7.0762 3   85.3875140  5951614041714 4 3    1711 6 3      C-13-H3C(O)CH3
  192969.5416  0.0246 -5.1357 3  781.8104840  595161404523715 2    523616 2      C-13-H3C(O)CH3
  192979.5237  0.0299 -5.1357 3  781.7968840  595161404523715 1    523616 1      C-13-H3C(O)CH3
  192986.6144  0.0093 -5.6099 3   89.2695148  5951614041812 7 3    1713 4 3      C-13-H3C(O)CH3
  193020.0838  0.0294 -5.1354 3  781.7575840  595161404523715 0    523616 0      C-13-H3C(O)CH3
  193047.5356  0.0294 -5.1353 3  781.7565840  595161404523716 0    523617 0      C-13-H3C(O)CH3
  193059.9053  0.0152 -6.7776 3   85.3565280  5951614041714 4 2    1711 6 2      C-13-H3C(O)CH3
  193060.6993  0.0137 -5.1706 3  534.7345340  5951614044234 9 3    423310 3      C-13-H3C(O)CH3
  193066.3573  0.4316 -6.9948 3 1020.8149484  595161404604020 4    603922 4      C-13-H3C(O)CH3
  193070.7648  0.3209 -6.5635 3 1445.5114580  595161404724528 3    724429 3      C-13-H3C(O)CH3
  193074.4497  0.2936 -6.5634 3 1445.5114580  595161404724528 4    724429 4      C-13-H3C(O)CH3
  193082.1729  0.0051 -4.7233 3  562.1685744  595161404462224 0    462125 0      C-13-H3C(O)CH3
  193083.5141  0.0209 -5.4379 3  781.8233420  595161404523715 3    523616 3      C-13-H3C(O)CH3
  193084.1933  0.0051 -4.7233 3  562.1685744  595161404462324 0    462225 0      C-13-H3C(O)CH3
  193090.5618  0.1133 -5.6702 3 1125.7115A32  595161404643628 1    643529 1      C-13-H3C(O)CH3
  193100.1058  0.0179 -5.3279 3  701.6519396  595161404493613 4    493514 4      C-13-H3C(O)CH3
  193104.4872  0.0036 -4.7767 3  365.5067308 -595161404381523 3    381424 3      C-13-H3C(O)CH3
  193104.4872  0.0036 -4.7767 3  365.5067308 -595161404381523 4    381424 4      C-13-H3C(O)CH3
  193104.4872  0.0036 -4.7767 3  365.5067308 -595161404381623 3    381524 3      C-13-H3C(O)CH3
  193104.4872  0.0036 -4.7767 3  365.5067308 -595161404381623 4    381524 4      C-13-H3C(O)CH3
  193105.2345  0.0129 -5.1705 3  534.7125340  5951614044234 9 4    423310 4      C-13-H3C(O)CH3
  193105.3180  0.0035 -4.4757 3  365.5333616 -595161404381523 2    381424 2      C-13-H3C(O)CH3
  193105.3180  0.0035 -4.4757 3  365.5333616 -595161404381623 2    381524 2      C-13-H3C(O)CH3
  193108.7265  0.0071 -4.7230 3  562.1480744  595161404462224 2    462125 2      C-13-H3C(O)CH3
  193110.9174  0.0071 -4.7230 3  562.1480744  595161404462324 2    462225 2      C-13-H3C(O)CH3
  193113.6793  0.0035 -4.4757 3  365.5351616 -595161404381623 1    381524 1      C-13-H3C(O)CH3
  193113.6793  0.0035 -4.4757 3  365.5351616 -595161404381523 1    381424 1      C-13-H3C(O)CH3
  193114.4276  0.0030 -4.4757 3  365.5617616 -595161404381623 0    381524 0      C-13-H3C(O)CH3
  193114.4276  0.0030 -4.4757 3  365.5617616 -595161404381523 0    381424 0      C-13-H3C(O)CH3
  193117.5710  0.0055 -4.7230 3  562.1498744  595161404462224 1    462125 1      C-13-H3C(O)CH3
  193119.7096  0.0055 -4.7230 3  562.1498744  595161404462324 1    462225 1      C-13-H3C(O)CH3
  193121.3366  0.0136 -6.1259 3  149.0346360  5951614042219 3 2    2120 1 2      C-13-H3C(O)CH3
  193125.1358  0.0123 -4.8696 3  534.7608680  5951614044234 8 2    4233 9 2      C-13-H3C(O)CH3
  193130.1928  0.1571 -5.6700 3 1125.7147A32  595161404643628 2    643529 2      C-13-H3C(O)CH3
  193143.7765  0.0162 -5.0268 3  701.6210792  595161404493613 2    493514 2      C-13-H3C(O)CH3
  193144.1972  0.0074 -5.0238 3  562.1292372  595161404462224 3    462125 3      C-13-H3C(O)CH3
  193144.2755  0.0075 -5.0238 3  562.1292372  595161404462224 4    462125 4      C-13-H3C(O)CH3
  193146.5171  0.0074 -5.0238 3  562.1292372  595161404462324 3    462225 3      C-13-H3C(O)CH3
  193146.5857  0.0075 -5.0238 3  562.1292372  595161404462324 4    462225 4      C-13-H3C(O)CH3
  193147.3633  0.0060 -6.6881 3   10.3955120  595161404 7 6 1 2     6 3 4 2      C-13-H3C(O)CH3
  193148.8365  0.0298 -5.1351 3  781.7698840  595161404523716 1    523617 1      C-13-H3C(O)CH3
  193159.2047  0.0059 -6.6999 3   10.3961120  595161404 7 6 1 1     6 3 4 1      C-13-H3C(O)CH3
  193160.5179  0.0132 -6.9444 3  356.4802584  595161404362116 0    352411 0      C-13-H3C(O)CH3
  193160.9049  0.0156 -5.1703 3  534.7641340  5951614044234 8 4    4233 9 4      C-13-H3C(O)CH3
  193163.6779  0.1414 -5.7488 3 1156.1253A32  595161404644222 0    644123 0      C-13-H3C(O)CH3
  193169.1063  0.0149 -6.1270 3  148.9622360  5951614042219 4 1    2120 2 1      C-13-H3C(O)CH3
  193169.3893  0.0114 -4.8695 3  534.7389680  5951614044234 9 2    423310 2      C-13-H3C(O)CH3
  193174.3104  0.0119 -4.8694 3  534.7206680  5951614044234 9 1    423310 1      C-13-H3C(O)CH3
  193181.7947  0.0177 -6.9987 3   85.3875140  5951614041714 3 3    1711 6 3      C-13-H3C(O)CH3
  193191.6234  0.0278 -5.4376 3  781.8171420  595161404523716 3    523617 3      C-13-H3C(O)CH3
  193192.1024  0.0155 -5.3278 3  701.6247396  595161404493614 3    493514 3      C-13-H3C(O)CH3
  193193.9094  0.0154 -7.0729 3   74.7574132  5951614041613 3 4    1610 7 4      C-13-H3C(O)CH3
  193196.7021  0.0177 -5.0266 3  701.6056792  595161404493613 1    493514 1      C-13-H3C(O)CH3
  193206.4067  0.0139 -5.1702 3  534.7422340  5951614044234 8 3    4233 9 3      C-13-H3C(O)CH3
  193238.7994  0.0174 -5.0265 3  701.5748792  595161404493613 0    493514 0      C-13-H3C(O)CH3
  193239.9236  0.0119 -4.8694 3  534.7469680  5951614044234 8 0    4233 9 0      C-13-H3C(O)CH3
  193239.9293  0.0119 -4.8694 3  534.7469680  5951614044234 9 0    423310 0      C-13-H3C(O)CH3
  193242.5168  0.0174 -5.0264 3  701.5746792  595161404493614 0    493515 0      C-13-H3C(O)CH3
  193244.4013  0.0283 -5.1348 3  781.7773840  595161404523716 2    523617 2      C-13-H3C(O)CH3
  193245.5230  0.0146 -6.1258 3  149.0173360  5951614042219 3 1    2120 1 1      C-13-H3C(O)CH3
  193256.2774  0.0143 -6.9465 3  356.4553584  595161404362116 1    352411 1      C-13-H3C(O)CH3
  193259.8781  0.1162 -5.6696 3 1125.7024A32  595161404643628 0    643529 0      C-13-H3C(O)CH3
  193275.7395  0.0127 -4.8691 3  534.7502680  5951614044234 8 1    4233 9 1      C-13-H3C(O)CH3
  193282.5515  0.0207 -6.4783 3  192.4556212  5951614042618 9 4    261511 4      C-13-H3C(O)CH3
  193288.1521  0.0153 -6.1257 3  148.9718360  5951614042219 4 2    2120 2 2      C-13-H3C(O)CH3
  193288.3398  0.0184 -5.0262 3  701.5784792  595161404493614 1    493515 1      C-13-H3C(O)CH3
  193325.2553  0.0094 -5.7079 3   68.9874264  5951614041610 6 2    1511 4 2      C-13-H3C(O)CH3
  193328.4424  0.0170 -5.3274 3  701.6209396  595161404493613 3    493515 3      C-13-H3C(O)CH3
  193331.6935  0.1672 -6.0124 3 1315.0576B12  595161404694129 0    694030 0      C-13-H3C(O)CH3
  193340.0075  0.1241 -6.0124 3 1315.0702B12  595161404694129 2    694030 2      C-13-H3C(O)CH3
  193358.2711  0.0310 -5.4353 3  781.7901420  595161404523716 4    523617 4      C-13-H3C(O)CH3
  193364.9332  0.0093 -6.2476 3   89.2569148  5951614041812 7 3    1713 5 3      C-13-H3C(O)CH3
  193371.5663  0.0170 -5.0260 3  701.5900792  595161404493614 2    493515 2      C-13-H3C(O)CH3
  193384.3697  0.1588 -6.0122 3 1315.0664B12  595161404694129 1    694030 1      C-13-H3C(O)CH3
  193392.7667  0.0960 -6.3132 3 1315.0791556  595161404694129 4    694030 4      C-13-H3C(O)CH3
  193394.3534  0.0967 -6.3132 3 1315.0791556  595161404694129 3    694030 3      C-13-H3C(O)CH3
  193413.7483  0.1667 -5.7615 3 1156.1607A32  595161404644222 1    644123 1      C-13-H3C(O)CH3
  193416.6968  0.2233 -5.7617 3 1156.1573A32  595161404644222 2    644123 2      C-13-H3C(O)CH3
  193419.1432  0.0191 -5.3268 3  701.5937396  595161404493614 4    493515 4      C-13-H3C(O)CH3
  193441.4682  0.0102 -7.0271 3  430.9201332  595161404411724 4    402021 4      C-13-H3C(O)CH3
  193441.5535  0.0102 -7.0271 3  430.9202332  595161404411724 3    402021 3      C-13-H3C(O)CH3
  193443.8255  0.0155 -6.4258 3  148.9554180  5951614042219 4 3    2120 1 3      C-13-H3C(O)CH3
  193448.1071  0.0102 -7.0270 3  430.9199332  595161404411824 4    401921 4      C-13-H3C(O)CH3
  193448.2150  0.0102 -7.0271 3  430.9200332  595161404411824 3    401921 3      C-13-H3C(O)CH3
  193456.9218  0.0100 -6.7265 3  430.9481664  595161404411724 1    402021 1      C-13-H3C(O)CH3
  193460.1617  0.0018 -4.2359 3   58.3144140 -59516140417 314 4    16 413 4      C-13-H3C(O)CH3
  193460.1617  0.0018 -4.2359 3   58.3144140 -59516140417 414 3    16 313 3      C-13-H3C(O)CH3
  193460.1617  0.0018 -4.2359 3   58.3144140 -59516140417 414 4    16 313 4      C-13-H3C(O)CH3
  193460.1617  0.0018 -4.2359 3   58.3144140 -59516140417 314 3    16 413 3      C-13-H3C(O)CH3
  193463.1896  0.0100 -6.7265 3  430.9479664  595161404411824 1    401921 1      C-13-H3C(O)CH3
  193470.4841  0.0097 -5.6482 3   68.9892264  5951614041610 6 1    1511 4 1      C-13-H3C(O)CH3
  193474.3349  1.0976 -7.0864 3 1720.7732636  595161404794633 4    794534 4      C-13-H3C(O)CH3
  193474.7383  1.0994 -7.0864 3 1720.7732636  595161404794633 3    794534 3      C-13-H3C(O)CH3
  193477.1012  0.4616 -6.2887 3 1452.3397B60  595161404724626 0    724527 0      C-13-H3C(O)CH3
  193481.8129  0.8993 -6.7853 3 1720.7696C72  595161404794633 1    794534 1      C-13-H3C(O)CH3
  193490.9985  0.0103 -6.7242 3  430.9449664  595161404411724 2    402021 2      C-13-H3C(O)CH3
  193497.4920  0.0103 -6.7242 3  430.9447664  595161404411824 2    401921 2      C-13-H3C(O)CH3
  193506.2035  0.0087 -6.7248 3  430.9728664  595161404411724 0    402021 0      C-13-H3C(O)CH3
  193507.7030  0.0019 -3.9347 3   58.2641280 -59516140417 314 1    16 413 1      C-13-H3C(O)CH3
  193507.7030  0.0019 -3.9347 3   58.2641280 -59516140417 414 1    16 313 1      C-13-H3C(O)CH3
  193508.1050  0.0018 -3.9347 3   58.2635280 -59516140417 314 2    16 413 2      C-13-H3C(O)CH3
  193508.1050  0.0018 -3.9347 3   58.2635280 -59516140417 414 2    16 313 2      C-13-H3C(O)CH3
  193512.3155  0.0087 -6.7247 3  430.9726664  595161404411824 0    401921 0      C-13-H3C(O)CH3
  193522.1101  0.0175 -6.4245 3  149.0105180  5951614042219 3 4    2120 1 4      C-13-H3C(O)CH3
  193555.6113  0.0017 -3.9345 3   58.2133280 -59516140417 314 0    16 413 0      C-13-H3C(O)CH3
  193555.6113  0.0017 -3.9345 3   58.2133280 -59516140417 414 0    16 313 0      C-13-H3C(O)CH3
  193574.9225  0.0052 -7.0773 3   10.4649 60  595161404 7 6 1 4     6 3 4 4      C-13-H3C(O)CH3
  193584.3091  0.0167 -5.2064 3  433.5695300  5951614043733 5 4    3732 6 4      C-13-H3C(O)CH3
  193608.4828  0.0155 -6.4256 3  148.8928180  5951614042219 4 4    2120 2 4      C-13-H3C(O)CH3
  193636.7403  0.1827 -6.0483 3 1156.1907516  595161404644222 3    644123 3      C-13-H3C(O)CH3
  193645.4237  0.0057 -4.7903 3   31.2083 92 -59516140411 8 4 4    10 7 3 4      C-13-H3C(O)CH3
  193666.3918  0.2579 -6.0765 3 1156.1949516  595161404644222 4    644123 4      C-13-H3C(O)CH3
  193670.9618  0.5758 -6.2888 3 1452.3544B60  595161404724626 2    724527 2      C-13-H3C(O)CH3
  193681.2984  0.0129 -4.9053 3  433.6217600  5951614043733 5 2    3732 6 2      C-13-H3C(O)CH3
  193686.7999  0.0149 -6.4243 3  148.9478180  5951614042219 3 3    2120 2 3      C-13-H3C(O)CH3
  193710.0685  0.1753 -7.1558 3  928.0227920  595161404573919 2    573819 2      C-13-H3C(O)CH3
  193722.1709  0.0152 -5.2059 3  433.5869300  5951614043733 5 3    3732 6 3      C-13-H3C(O)CH3
  193748.5527  0.0142 -6.4058 3  192.4644424  5951614042618 9 1    261511 1      C-13-H3C(O)CH3
  193758.1518  0.0083 -5.4990 3   89.2243296  5951614041812 7 2    1713 5 2      C-13-H3C(O)CH3
  193784.7134  0.0138 -4.9050 3  433.6050600  5951614043733 5 1    3732 6 1      C-13-H3C(O)CH3
  193789.7119  0.1500 -7.0148 3  928.0157920  595161404573919 1    573819 1      C-13-H3C(O)CH3
  193799.4559  1.1920 -6.7842 3 1720.7817C72  595161404794633 2    794534 2      C-13-H3C(O)CH3
  193807.0960  0.9306 -6.7842 3 1720.7781C72  595161404794633 0    794534 0      C-13-H3C(O)CH3
  193814.7679  0.0149 -5.2057 3  433.6049300  5951614043733 4 3    3732 5 3      C-13-H3C(O)CH3
  193817.1846  0.0063 -6.5560 3  251.3716252  595161404311417 3    301714 3      C-13-H3C(O)CH3
  193817.6056  0.0067 -6.5560 3  251.3715252  595161404311417 4    301714 4      C-13-H3C(O)CH3
  193820.5612  0.0125 -4.9049 3  433.6390600  5951614043733 4 2    3732 5 2      C-13-H3C(O)CH3
  193835.4492  0.0063 -6.2545 3  251.3921504  595161404311417 1    301714 1      C-13-H3C(O)CH3
  193851.2597  0.0122 -6.9345 3   67.0094248  5951614041513 3 1    1510 6 1      C-13-H3C(O)CH3
  193858.0964  0.0959 -5.6232 3 1087.3253A00  595161404624122 0    624023 0      C-13-H3C(O)CH3
  193869.6311  0.4560 -6.2873 3 1452.3596B60  595161404724626 1    724527 1      C-13-H3C(O)CH3
  193883.8274  0.0126 -4.9049 3  433.6571600  5951614043733 5 0    3732 6 0      C-13-H3C(O)CH3
  193883.8274  0.0126 -4.9049 3  433.6571600  5951614043733 4 0    3732 5 0      C-13-H3C(O)CH3
  193899.9822  0.0063 -6.2515 3  251.3866504  595161404311417 2    301714 2      C-13-H3C(O)CH3
  193917.8977  0.0056 -6.2510 3  251.4072504  595161404311417 0    301714 0      C-13-H3C(O)CH3
  193952.9979  0.0147 -5.2053 3  433.6221300  5951614043733 4 4    3732 5 4      C-13-H3C(O)CH3
  193997.3562  0.0999 -5.6559 3 1087.3597A00  595161404624122 1    624023 1      C-13-H3C(O)CH3
  193999.1734  0.1861 -5.8729 3 1226.9797A64  595161404664323 0    664224 0      C-13-H3C(O)CH3
  194004.8731  0.0924 -5.6627 3 1087.3584A00  595161404624122 2    624023 2      C-13-H3C(O)CH3
  194009.3394  0.0034 -4.7536 3  342.7071300 -595161404371523 3    371424 3      C-13-H3C(O)CH3
  194009.3394  0.0034 -4.7536 3  342.7071300 -595161404371523 4    371424 4      C-13-H3C(O)CH3
  194009.3394  0.0034 -4.7536 3  342.7071300 -595161404371423 3    371324 3      C-13-H3C(O)CH3
  194009.3394  0.0034 -4.7536 3  342.7071300 -595161404371423 4    371324 4      C-13-H3C(O)CH3
  194016.7740  0.0124 -4.9043 3  433.6403600  5951614043733 4 1    3732 5 1      C-13-H3C(O)CH3
  194023.1854  0.0033 -4.4525 3  342.7325600 -595161404371423 2    371324 2      C-13-H3C(O)CH3
  194023.1854  0.0033 -4.4525 3  342.7325600 -595161404371523 2    371424 2      C-13-H3C(O)CH3
  194031.2858  0.0033 -4.4525 3  342.7342600 -595161404371523 1    371424 1      C-13-H3C(O)CH3
  194031.2858  0.0033 -4.4525 3  342.7342600 -595161404371423 1    371324 1      C-13-H3C(O)CH3
  194034.8786  0.0080 -5.4771 3   89.2145296  5951614041812 7 1    1713 5 1      C-13-H3C(O)CH3
  194045.0624  0.0029 -4.4524 3  342.7596600 -595161404371423 0    371324 0      C-13-H3C(O)CH3
  194045.0624  0.0029 -4.4524 3  342.7596600 -595161404371523 0    371424 0      C-13-H3C(O)CH3
  194055.5854  0.5521 -6.5881 3 1452.3744580  595161404724626 4    724527 4      C-13-H3C(O)CH3
  194067.8054  0.5701 -6.5888 3 1452.3744580  595161404724626 3    724527 3      C-13-H3C(O)CH3
  194160.1706  0.0084 -7.2926 3   68.9980132  5951614041610 6 3    1511 4 3      C-13-H3C(O)CH3
  194166.5369  0.1112 -5.9630 3 1087.3894500  595161404624122 4    624023 4      C-13-H3C(O)CH3
  194183.0047  0.0122 -6.9460 3   67.0096248  5951614041513 3 2    1510 6 2      C-13-H3C(O)CH3
  194193.6524  0.1973 -6.0572 3 1333.8052B12  595161404694426 0    694327 0      C-13-H3C(O)CH3
  194222.1991  0.0596 -5.3573 3  927.9714920  595161404573918 0    573819 0      C-13-H3C(O)CH3
  194223.1842  0.3381 -6.1427 3 1375.0851B28  595161404704525 0    704426 0      C-13-H3C(O)CH3
  194226.8201  0.1055 -5.9250 3 1087.3970500  595161404624122 3    624023 3      C-13-H3C(O)CH3
  194234.7116  0.2561 -5.8738 3 1227.0076A64  595161404664323 2    664224 2      C-13-H3C(O)CH3
  194271.6056  0.2013 -5.8758 3 1227.0124A64  595161404664323 1    664224 1      C-13-H3C(O)CH3
  194280.8995  0.0673 -5.3668 3  928.0157920  595161404573918 1    573819 1      C-13-H3C(O)CH3
  194288.8629  0.0561 -5.6603 3  928.0708460  595161404573918 4    573819 4      C-13-H3C(O)CH3
  194320.0783  0.0152 -7.2847 3   67.0428124  5951614041513 3 3    1510 6 3      C-13-H3C(O)CH3
  194325.9141  0.0542 -5.3640 3  928.0227920  595161404573918 2    573819 2      C-13-H3C(O)CH3
  194359.8439  0.1632 -6.4852 3  928.0478460  595161404573919 3    573819 3      C-13-H3C(O)CH3
  194365.0872  0.0121 -7.0591 3   27.5967168  59516140410 9 1 2     9 8 2 2      C-13-H3C(O)CH3
  194365.3417  0.2605 -6.0567 3 1333.8265B12  595161404694426 2    694327 2      C-13-H3C(O)CH3
  194375.0162  0.2492 -6.0042 3 1299.9657A96  595161404684424 0    684325 0      C-13-H3C(O)CH3
  194378.7963  0.0110 -6.5369 3   91.4006148  5951614041813 6 4    1810 9 4      C-13-H3C(O)CH3
  194412.8915  0.0131 -6.6856 3  192.4509424  5951614042618 9 2    261511 2      C-13-H3C(O)CH3
  194413.3291  0.0118 -5.7597 3  131.4879344  5951614042117 5 0    2018 2 0      C-13-H3C(O)CH3
  194418.3218  0.0118 -5.7597 3  131.4879344  5951614042117 4 0    2018 3 0      C-13-H3C(O)CH3
  194438.5592  0.4222 -6.1424 3 1375.1042B28  595161404704525 2    704426 2      C-13-H3C(O)CH3
  194455.7312  0.1875 -6.0569 3 1333.8316B12  595161404694426 1    694327 1      C-13-H3C(O)CH3
  194483.7366  0.0363 -5.4867 3  854.3056452  595161404563026 3    562927 3      C-13-H3C(O)CH3
  194483.9823  0.0364 -5.4867 3  854.3056452  595161404563026 4    562927 4      C-13-H3C(O)CH3
  194490.0039  0.0587 -5.3562 3  927.9612920  595161404573919 0    573820 0      C-13-H3C(O)CH3
  194490.6207  0.0810 -5.7276 3  928.0478460  595161404573918 3    573819 3      C-13-H3C(O)CH3
  194500.7439  0.3025 -6.1807 3 1227.0415532  595161404664323 4    664224 4      C-13-H3C(O)CH3
  194501.4271  0.0144 -7.3335 3   67.0428124  5951614041513 2 3    1510 6 3      C-13-H3C(O)CH3
  194506.5328  0.2383 -6.1728 3 1227.0394532  595161404664323 3    664224 3      C-13-H3C(O)CH3
  194513.8164  0.0357 -5.1856 3  854.3024904  595161404563026 2    562927 2      C-13-H3C(O)CH3
  194514.2426  0.0107 -7.1285 3   27.5902168  59516140410 9 1 1     9 8 2 1      C-13-H3C(O)CH3
  194516.7339  0.0256 -5.1856 3  854.3022904  595161404563026 1    562927 1      C-13-H3C(O)CH3
  194525.4511  0.0020 -4.1675 3   60.6653148 -59516140418 316 4    17 215 4      C-13-H3C(O)CH3
  194525.4511  0.0020 -4.1675 3   60.6653148 -59516140418 216 3    17 315 3      C-13-H3C(O)CH3
  194525.4511  0.0020 -4.1675 3   60.6653148 -59516140418 316 3    17 215 3      C-13-H3C(O)CH3
  194525.4511  0.0020 -4.1675 3   60.6653148 -59516140418 216 4    17 315 4      C-13-H3C(O)CH3
  194533.2201  0.2132 -6.7568 3 1087.3597A00  595161404624121 1    624023 1      C-13-H3C(O)CH3
  194536.1708  0.0048 -4.3761 3   31.1480184 -59516140411 8 4 1    10 7 3 1      C-13-H3C(O)CH3
  194546.2708  0.0249 -5.1856 3  854.2990904  595161404563026 0    562927 0      C-13-H3C(O)CH3
  194560.6105  0.0021 -3.8663 3   60.6100296 -59516140418 216 1    17 315 1      C-13-H3C(O)CH3
  194560.6105  0.0020 -3.8664 3   60.6094296 -59516140418 216 2    17 315 2      C-13-H3C(O)CH3
  194560.6105  0.0020 -3.8664 3   60.6094296 -59516140418 316 2    17 215 2      C-13-H3C(O)CH3
  194560.6105  0.0021 -3.8663 3   60.6100296 -59516140418 316 1    17 215 1      C-13-H3C(O)CH3
  194570.9599  0.3390 -6.1416 3 1375.1100B28  595161404704525 1    704426 1      C-13-H3C(O)CH3
  194571.7084  0.3073 -6.6786 3 1087.3584A00  595161404624121 2    624023 2      C-13-H3C(O)CH3
  194589.0080  0.0104 -5.7580 3  131.4982344  5951614042117 4 2    2018 2 2      C-13-H3C(O)CH3
  194595.7398  0.0019 -3.8661 3   60.5543296 -59516140418 316 0    17 215 0      C-13-H3C(O)CH3
  194595.7398  0.0019 -3.8661 3   60.5543296 -59516140418 216 0    17 315 0      C-13-H3C(O)CH3
  194601.9105  0.3179 -6.0034 3 1299.9893A96  595161404684424 2    684325 2      C-13-H3C(O)CH3
  194611.6518  0.0593 -5.3656 3  927.9883920  595161404573919 1    573820 1      C-13-H3C(O)CH3
  194620.1759  0.0037 -4.6208 3   31.1985 92 -59516140411 8 4 3    10 7 3 3      C-13-H3C(O)CH3
  194625.0803  0.2746 -6.3573 3 1333.8531556  595161404694426 3    694327 3      C-13-H3C(O)CH3
  194628.3258  0.2322 -6.3576 3 1333.8527556  595161404694426 4    694327 4      C-13-H3C(O)CH3
  194664.2098  0.0056 -4.3638 3   31.1461184 -59516140411 8 4 2    10 7 3 2      C-13-H3C(O)CH3
  194680.7556  0.0675 -5.3627 3  927.9903920  595161404573919 2    573820 2      C-13-H3C(O)CH3
  194681.6422  0.2564 -6.0039 3 1299.9949A96  595161404684424 1    684325 1      C-13-H3C(O)CH3
  194686.1192  0.0046 -4.6792 3  534.7494728  595161404452124 0    452025 0      C-13-H3C(O)CH3
  194686.8185  0.0046 -4.6792 3  534.7494728  595161404452224 0    452125 0      C-13-H3C(O)CH3
  194695.0755  0.0728 -5.7267 3  928.0366460  595161404573919 3    573820 3      C-13-H3C(O)CH3
  194714.1297  0.0062 -4.6790 3  534.7266728  595161404452124 2    452025 2      C-13-H3C(O)CH3
  194714.8923  0.0062 -4.6790 3  534.7266728  595161404452224 2    452125 2      C-13-H3C(O)CH3
  194722.6704  0.0050 -4.6789 3  534.7284728  595161404452124 1    452025 1      C-13-H3C(O)CH3
  194723.4120  0.0050 -4.6789 3  534.7284728  595161404452224 1    452125 1      C-13-H3C(O)CH3
  194750.7587  0.0064 -4.9797 3  534.7055364  595161404452124 3    452025 3      C-13-H3C(O)CH3
  194750.8214  0.0065 -4.9797 3  534.7055364  595161404452124 4    452025 4      C-13-H3C(O)CH3
  194751.5678  0.0064 -4.9797 3  534.7055364  595161404452224 3    452125 3      C-13-H3C(O)CH3
  194751.6266  0.0065 -4.9797 3  534.7055364  595161404452224 4    452125 4      C-13-H3C(O)CH3
  194758.3785  0.0127 -6.4339 3   85.3294280  5951614041714 3 0    1711 6 0      C-13-H3C(O)CH3
  194770.0769  0.0113 -5.7573 3  131.4848344  5951614042117 4 1    2018 2 1      C-13-H3C(O)CH3
  194775.7529  0.4209 -6.4419 3 1375.1294564  595161404704525 4    704426 4      C-13-H3C(O)CH3
  194792.6636  0.4255 -6.4430 3 1375.1291564  595161404704525 3    704426 3      C-13-H3C(O)CH3
  194795.5392  0.0324 -5.4853 3  854.3072452  595161404563126 4    563027 4      C-13-H3C(O)CH3
  194795.8087  0.0321 -5.4853 3  854.3072452  595161404563126 3    563027 3      C-13-H3C(O)CH3
  194809.5421  0.0312 -5.1843 3  854.3038904  595161404563126 2    563027 2      C-13-H3C(O)CH3
  194812.8577  0.0250 -5.1843 3  854.3037904  595161404563126 1    563027 1      C-13-H3C(O)CH3
  194813.2501  0.0114 -5.7580 3  131.4187344  5951614042117 5 1    2018 3 1      C-13-H3C(O)CH3
  194819.6780  0.0159 -6.6887 3   85.3622280  5951614041714 3 1    1711 6 1      C-13-H3C(O)CH3
  194820.8787  0.0035 -4.4024 3   49.6133232 -59516140414 7 7 2    13 8 6 2      C-13-H3C(O)CH3
  194825.8523  0.1906 -6.4831 3  928.0366460  595161404573918 3    573820 3      C-13-H3C(O)CH3
  194826.8885  0.0239 -5.1844 3  854.3003904  595161404563126 0    563027 0      C-13-H3C(O)CH3
  194830.8335  0.0032 -4.7009 3   49.6575116 -59516140414 7 7 3    13 8 6 3      C-13-H3C(O)CH3
  194833.5046  0.0033 -4.7340 3  320.4885292 -595161404361423 4    361324 4      C-13-H3C(O)CH3
  194833.5046  0.0032 -4.7340 3  320.4885292 -595161404361423 3    361324 3      C-13-H3C(O)CH3
  194833.5046  0.0032 -4.7340 3  320.4885292 -595161404361323 3    361224 3      C-13-H3C(O)CH3
  194833.5046  0.0033 -4.7340 3  320.4885292 -595161404361323 4    361224 4      C-13-H3C(O)CH3
  194840.3616  0.0318 -7.3414 3  400.5974616  595161404382316 2    372611 2      C-13-H3C(O)CH3
  194847.7183  0.0114 -5.7571 3  131.4315344  5951614042117 5 2    2018 3 2      C-13-H3C(O)CH3
  194848.2626  0.0030 -4.4033 3   49.5713232 -59516140414 7 7 0    13 8 6 0      C-13-H3C(O)CH3
  194862.5991  0.0032 -4.4328 3  320.5120584 -595161404361323 2    361224 2      C-13-H3C(O)CH3
  194862.5991  0.0032 -4.4328 3  320.5120584 -595161404361423 2    361324 2      C-13-H3C(O)CH3
  194868.1998  0.0097 -4.9309 3  701.1630824  595161404512625 0    512526 0      C-13-H3C(O)CH3
  194870.2967  0.0032 -4.4328 3  320.5136584 -595161404361323 1    361224 1      C-13-H3C(O)CH3
  194870.2967  0.0032 -4.4328 3  320.5136584 -595161404361423 1    361324 1      C-13-H3C(O)CH3
  194877.3650  0.0151 -4.9307 3  701.1549824  595161404512625 2    512526 2      C-13-H3C(O)CH3
  194884.5256  0.0106 -4.9307 3  701.1559824  595161404512625 1    512526 1      C-13-H3C(O)CH3
  194891.3866  0.0033 -4.4008 3   49.6145232 -59516140414 7 7 1    13 8 6 1      C-13-H3C(O)CH3
  194893.6525  0.0157 -5.2315 3  701.1478412  595161404512625 3    512526 3      C-13-H3C(O)CH3
  194893.7717  0.0158 -5.2315 3  701.1478412  595161404512625 4    512526 4      C-13-H3C(O)CH3
  194895.8905  0.0097 -4.9308 3  701.1631824  595161404512725 0    512626 0      C-13-H3C(O)CH3
  194896.2271  0.0774 -5.6582 3  928.0137460  595161404573919 4    573820 4      C-13-H3C(O)CH3
  194896.8945  0.3408 -6.3041 3 1300.0192548  595161404684424 4    684325 4      C-13-H3C(O)CH3
  194897.2749  0.0188 -5.2586 3  416.1266292  5951614043633 4 4    3632 5 4      C-13-H3C(O)CH3
  194897.3254  0.0036 -4.7009 3   49.6559116 -59516140414 7 7 4    13 8 6 4      C-13-H3C(O)CH3
  194899.2984  0.0028 -4.4326 3  320.5371584 -595161404361323 0    361224 0      C-13-H3C(O)CH3
  194899.2984  0.0028 -4.4326 3  320.5371584 -595161404361423 0    361324 0      C-13-H3C(O)CH3
  194902.1732  0.0088 -5.0324 3   68.9022264  5951614041610 6 0    1511 5 0      C-13-H3C(O)CH3
  194907.0100  0.0147 -4.9306 3  701.1550824  595161404512725 2    512626 2      C-13-H3C(O)CH3
  194910.3073  0.3357 -6.3864 3 1518.1169B92  595161404744530 0    744431 0      C-13-H3C(O)CH3
  194913.8870  0.0106 -4.9306 3  701.1560824  595161404512725 1    512626 1      C-13-H3C(O)CH3
  194915.5193  0.3174 -6.3044 3 1300.0182548  595161404684424 3    684325 3      C-13-H3C(O)CH3
  194925.0928  0.0154 -5.2314 3  701.1479412  595161404512725 3    512626 3      C-13-H3C(O)CH3
  194925.1228  0.0155 -5.2314 3  701.1479412  595161404512725 4    512626 4      C-13-H3C(O)CH3
  194934.4728  0.0100 -5.6999 3   89.1955148  5951614041812 7 4    1713 5 4      C-13-H3C(O)CH3
  194939.8871  0.0715 -5.7132 3  985.5719484  595161404603327 3    603228 3      C-13-H3C(O)CH3
  194940.3058  0.0714 -5.7132 3  985.5719484  595161404603327 4    603228 4      C-13-H3C(O)CH3
  194944.2136  0.0143 -6.0566 3  131.4951172  5951614042117 4 4    2018 2 4      C-13-H3C(O)CH3
  194953.7705  0.3032 -6.3863 3 1518.1261B92  595161404744530 2    744431 2      C-13-H3C(O)CH3
  194957.5080  0.0143 -5.2208 3  604.0704364  595161404453511 3    453412 3      C-13-H3C(O)CH3
  194967.1990  0.2333 -6.1644 3 1234.9279540  595161404673829 3    673730 3      C-13-H3C(O)CH3
  194967.6028  0.2321 -6.1644 3 1234.9279540  595161404673829 4    673730 4      C-13-H3C(O)CH3
  194981.5325  0.0172 -5.2208 3  604.0986364  595161404453510 4    453411 4      C-13-H3C(O)CH3
  194985.3176  0.0133 -4.9199 3  604.0828728  595161404453510 2    453411 2      C-13-H3C(O)CH3
  194985.3399  0.0121 -6.0574 3  131.4289172  5951614042117 5 3    2018 2 3      C-13-H3C(O)CH3
  194990.4120  0.0144 -4.9576 3  416.1846584  5951614043633 4 2    3632 5 2      C-13-H3C(O)CH3
  195007.0926  0.0136 -5.1703 3  514.7364332  5951614044134 8 4    4133 9 4      C-13-H3C(O)CH3
  195008.7408  0.0140 -5.1703 3  514.7569332  5951614044134 8 3    4133 9 3      C-13-H3C(O)CH3
  195016.2595  0.0522 -5.4119 3  985.5622968  595161404603327 1    603228 1      C-13-H3C(O)CH3
  195024.7209  0.0722 -5.4119 3  985.5636968  595161404603327 2    603228 2      C-13-H3C(O)CH3
  195056.1172  2.5606 -7.3429 3 2009.2867D68  595161404855332 2    855233 2      C-13-H3C(O)CH3
  195078.3308  0.0122 -4.9195 3  604.0411728  595161404453511 1    453412 1      C-13-H3C(O)CH3
  195080.0973  0.0116 -4.8693 3  514.7684664  5951614044134 8 2    4133 9 2      C-13-H3C(O)CH3
  195082.3932  0.0121 -4.8692 3  514.7888664  5951614044134 7 2    4133 8 2      C-13-H3C(O)CH3
  195083.0520  0.0135 -5.2205 3  604.0453364  595161404453511 4    453412 4      C-13-H3C(O)CH3
  195084.1378  0.0167 -5.2580 3  416.1447292  5951614043633 4 3    3632 5 3      C-13-H3C(O)CH3
  195090.8321  0.4893 -6.9816 3 1087.3894500  595161404624121 4    624023 4      C-13-H3C(O)CH3
  195099.7941  0.0524 -5.4117 3  985.5540968  595161404603327 0    603228 0      C-13-H3C(O)CH3
  195102.8394  0.1740 -7.0087 3  927.9883920  595161404573918 1    573820 1      C-13-H3C(O)CH3
  195103.3506  0.0135 -4.9195 3  604.0692728  595161404453510 1    453411 1      C-13-H3C(O)CH3
  195105.9960  0.3025 -6.3858 3 1518.1240B92  595161404744530 1    744431 1      C-13-H3C(O)CH3
  195107.1711  0.0121 -4.9196 3  604.0534728  595161404453510 0    453411 0      C-13-H3C(O)CH3
  195107.2483  0.0121 -4.9196 3  604.0534728  595161404453511 0    453412 0      C-13-H3C(O)CH3
  195108.3046  0.0147 -5.2205 3  604.0736364  595161404453510 3    453411 3      C-13-H3C(O)CH3
  195110.0641  0.1797 -5.8628 3 1234.9152A80  595161404673829 1    673730 1      C-13-H3C(O)CH3
  195111.0134  0.0121 -4.9195 3  604.0578728  595161404453511 2    453412 2      C-13-H3C(O)CH3
  195114.1763  0.0124 -4.8691 3  514.7499664  5951614044134 8 1    4133 9 1      C-13-H3C(O)CH3
  195122.2117  0.0155 -4.9572 3  416.1697584  5951614043633 4 1    3632 5 1      C-13-H3C(O)CH3
  195122.8307  0.0033 -4.3141 3   31.0907184 -59516140411 8 4 0    10 7 3 0      C-13-H3C(O)CH3
  195132.6208  0.0155 -6.6976 3   85.3565280  5951614041714 3 2    1711 6 2      C-13-H3C(O)CH3
  195139.5165  0.0208 -6.9615 3   85.3914140  5951614041714 3 4    1711 6 4      C-13-H3C(O)CH3
  195141.8547  0.0140 -5.1699 3  514.7679332  5951614044134 7 3    4133 8 3      C-13-H3C(O)CH3
  195142.8572  0.0151 -5.1699 3  514.7881332  5951614044134 7 4    4133 8 4      C-13-H3C(O)CH3
  195148.8730  0.2044 -6.6867 3 1518.1332596  595161404744530 3    744431 3      C-13-H3C(O)CH3
  195149.9397  0.1930 -6.6867 3 1518.1333596  595161404744530 4    744431 4      C-13-H3C(O)CH3
  195153.5102  0.0164 -5.2579 3  416.1650292  5951614043633 3 3    3632 4 3      C-13-H3C(O)CH3
  195178.9328  0.0138 -4.9570 3  416.2026584  5951614043633 3 2    3632 4 2      C-13-H3C(O)CH3
  195182.8520  0.2453 -5.8626 3 1234.9197A80  595161404673829 2    673730 2      C-13-H3C(O)CH3
  195188.8613  0.0120 -4.8691 3  514.7818664  5951614044134 7 0    4133 8 0      C-13-H3C(O)CH3
  195188.8621  0.0120 -4.8691 3  514.7818664  5951614044134 8 0    4133 9 0      C-13-H3C(O)CH3
  195200.9038  0.0117 -6.0558 3  131.4283172  5951614042117 4 3    2018 3 3      C-13-H3C(O)CH3
  195217.4827  0.0140 -4.9572 3  416.2277584  5951614043633 4 0    3632 5 0      C-13-H3C(O)CH3
  195217.4827  0.0140 -4.9572 3  416.2277584  5951614043633 3 0    3632 4 0      C-13-H3C(O)CH3
  195240.0608  0.0124 -6.0564 3  131.3623172  5951614042117 5 4    2018 3 4      C-13-H3C(O)CH3
  195249.5972  0.0124 -4.8687 3  514.7812664  5951614044134 7 1    4133 8 1      C-13-H3C(O)CH3
  195269.8752  0.0147 -5.8366 3  192.4550212  5951614042618 8 3    261511 3      C-13-H3C(O)CH3
  195272.9717  2.0378 -7.3418 3 2009.2889D68  595161404855332 0    855233 0      C-13-H3C(O)CH3
  195296.6012  0.2226 -7.1485 3  927.9903920  595161404573918 2    573820 2      C-13-H3C(O)CH3
  195323.6154  0.1852 -5.8620 3 1234.9070A80  595161404673829 0    673730 0      C-13-H3C(O)CH3
  195341.2603  0.0161 -5.2573 3  416.1829292  5951614043633 3 4    3632 4 4      C-13-H3C(O)CH3
  195359.5265  0.0068 -6.5059 3   15.3584 68  595161404 8 7 2 4     7 4 3 4      C-13-H3C(O)CH3
  195380.3994  0.0139 -4.9565 3  416.2080584  5951614043633 3 1    3632 4 1      C-13-H3C(O)CH3
  195389.4868  0.0090 -5.5862 3   87.0916148  5951614041811 8 4    1712 5 4      C-13-H3C(O)CH3
  195404.3766  0.2832 -6.3033 3 1475.0768B76  595161404734430 0    734331 0      C-13-H3C(O)CH3
  195410.4013  0.0274 -7.1611 3  378.1911600  595161404372216 2    362511 2      C-13-H3C(O)CH3
  195434.8624  0.2273 -6.3032 3 1475.0869B76  595161404734430 2    734331 2      C-13-H3C(O)CH3
  195456.8963  0.0099 -6.1527 3  139.2226188  595161404231212 4    2213 9 4      C-13-H3C(O)CH3
  195467.1217  0.0080 -6.1803 3   91.3779296  5951614041813 6 1    1810 9 1      C-13-H3C(O)CH3
  195478.4022  0.0072 -6.1528 3  139.2218188  595161404231212 3    2213 9 3      C-13-H3C(O)CH3
  195518.3861  0.7779 -6.8329 3 1591.9941612  595161404764432 4    764333 4      C-13-H3C(O)CH3
  195518.5428  0.7800 -6.8329 3 1591.9941612  595161404764432 3    764333 3      C-13-H3C(O)CH3
  195528.7959  0.0228 -7.2530 3  400.5793616  595161404382316 1    372611 1      C-13-H3C(O)CH3
  195534.9657  0.0175 -7.0953 3  400.5998616  595161404382316 0    372611 0      C-13-H3C(O)CH3
  195542.4574  0.0106 -5.1325 3   68.9135264  5951614041610 6 2    1511 5 2      C-13-H3C(O)CH3
  195546.3724  0.2589 -6.3028 3 1475.0835B76  595161404734430 1    734331 1      C-13-H3C(O)CH3
  195565.9022  0.0095 -5.3308 3   68.9511132  5951614041610 6 3    1511 5 3      C-13-H3C(O)CH3
  195577.0270  0.1376 -6.6038 3 1475.0936588  595161404734430 4    734331 4      C-13-H3C(O)CH3
  195577.1065  0.1444 -6.6038 3 1475.0936588  595161404734430 3    734331 3      C-13-H3C(O)CH3
  195583.4260  0.0031 -4.7182 3  298.8528284 -595161404351223 3    351124 3      C-13-H3C(O)CH3
  195583.4260  0.0033 -4.7182 3  298.8528284 -595161404351223 4    351124 4      C-13-H3C(O)CH3
  195583.4260  0.0031 -4.7182 3  298.8528284 -595161404351323 3    351224 3      C-13-H3C(O)CH3
  195583.4260  0.0033 -4.7182 3  298.8528284 -595161404351323 4    351224 4      C-13-H3C(O)CH3
  195591.2391  0.6333 -6.5316 3 1591.9876C24  595161404764432 1    764333 1      C-13-H3C(O)CH3
  195604.6248  0.0069 -5.8492 3  139.2149376  595161404231212 1    2213 9 1      C-13-H3C(O)CH3
  195604.9387  0.0132 -5.5843 3  192.4644424  5951614042618 8 1    261511 1      C-13-H3C(O)CH3
  195607.8106  0.0023 -4.1137 3   62.4719156  59516140419 218 3    18 217 3      C-13-H3C(O)CH3
  195607.8106  0.0023 -5.9250 3   62.4719156  59516140419 118 3    18 217 3      C-13-H3C(O)CH3
  195607.8417  0.0023 -4.1070 3   62.4719156  59516140419 218 4    18 117 4      C-13-H3C(O)CH3
  195607.8417  0.0023 -4.1070 3   62.4719156  59516140419 118 4    18 217 4      C-13-H3C(O)CH3
  195607.8464  0.0023 -5.9250 3   62.4719156 -59516140419 218 3    18 117 3      C-13-H3C(O)CH3
  195607.8464  0.0023 -4.1137 3   62.4719156 -59516140419 118 3    18 117 3      C-13-H3C(O)CH3
  195629.3948  0.0025 -3.9165 3   62.4097312  59516140419 218 1    18 117 1      C-13-H3C(O)CH3
  195629.3948  0.0025 -3.9165 3   62.4097312  59516140419 118 1    18 217 1      C-13-H3C(O)CH3
  195629.4985  0.0024 -4.5221 3   62.4092312 -59516140419 218 2    18 117 2      C-13-H3C(O)CH3
  195629.4985  0.0024 -4.4291 3   62.4092312 -59516140419 118 2    18 217 2      C-13-H3C(O)CH3
  195629.4985  0.0025 -4.4537 3   62.4097312 -59516140419 218 1    18 217 1      C-13-H3C(O)CH3
  195629.4985  0.0025 -4.4537 3   62.4097312 -59516140419 118 1    18 117 1      C-13-H3C(O)CH3
  195629.5287  0.0024 -3.9239 3   62.4092312  59516140419 218 2    18 217 2      C-13-H3C(O)CH3
  195629.5287  0.0024 -3.8985 3   62.4092312  59516140419 118 2    18 117 2      C-13-H3C(O)CH3
  195629.9613  0.0031 -4.4169 3  298.8735568  595161404351223 2    351124 2      C-13-H3C(O)CH3
  195629.9613  0.0031 -4.4169 3  298.8735568  595161404351323 2    351224 2      C-13-H3C(O)CH3
  195637.2697  0.0031 -4.4170 3  298.8750568 -595161404351223 1    351124 1      C-13-H3C(O)CH3
  195637.2697  0.0031 -4.4170 3  298.8750568 -595161404351323 1    351224 1      C-13-H3C(O)CH3
  195651.0430  0.0023 -3.8939 3   62.3472312 -59516140419 218 0    18 117 0      C-13-H3C(O)CH3
  195651.0430  0.0023 -3.8939 3   62.3472312 -59516140419 118 0    18 217 0      C-13-H3C(O)CH3
  195651.0512  0.0023 -4.5407 3   62.3472312  59516140419 218 0    18 217 0      C-13-H3C(O)CH3
  195651.0512  0.0023 -4.5407 3   62.3472312  59516140419 118 0    18 117 0      C-13-H3C(O)CH3
  195683.6135  0.0028 -4.4167 3  298.8957568 -595161404351223 0    351124 0      C-13-H3C(O)CH3
  195683.6135  0.0028 -4.4167 3  298.8957568 -595161404351323 0    351224 0      C-13-H3C(O)CH3
  195697.8479  0.0053 -6.3729 3   91.4008148  5951614041813 6 3    1810 9 3      C-13-H3C(O)CH3
  195727.9269  1.9699 -7.3401 3 2009.2837D68  595161404855332 1    855233 1      C-13-H3C(O)CH3
  195761.9675  0.0172 -5.9337 3  192.4556212  5951614042618 8 4    261511 4      C-13-H3C(O)CH3
  195770.6858  0.3524 -6.3998 3 1524.6184B92  595161404744629 0    744530 0      C-13-H3C(O)CH3
  195778.4800  0.0078 -6.1650 3   91.3751296  5951614041813 6 2    1810 9 2      C-13-H3C(O)CH3
  195800.4307  0.0166 -7.2177 3  656.6121824  595161404512031 1    502328 1      C-13-H3C(O)CH3
  195800.4382  0.0166 -7.2177 3  656.6121824  595161404512131 1    502228 1      C-13-H3C(O)CH3
  195808.3842  0.0188 -7.2162 3  656.6111824  595161404512031 2    502328 2      C-13-H3C(O)CH3
  195808.3917  0.0188 -7.2162 3  656.6111824  595161404512131 2    502228 2      C-13-H3C(O)CH3
  195817.5971  0.0103 -6.7062 3   66.9804248  5951614041513 3 0    1510 6 0      C-13-H3C(O)CH3
  195837.6393  0.8427 -6.5307 3 1591.9973C24  595161404764432 2    764333 2      C-13-H3C(O)CH3
  195851.5779  0.4169 -6.3996 3 1524.6291B92  595161404744629 2    744530 2      C-13-H3C(O)CH3
  195854.2424  0.0067 -5.8433 3  139.2031376  595161404231212 2    2213 9 2      C-13-H3C(O)CH3
  195855.9842  0.0130 -7.2174 3  656.6242824  595161404512031 0    502328 0      C-13-H3C(O)CH3
  195855.9908  0.0130 -7.2174 3  656.6242824  595161404512131 0    502228 0      C-13-H3C(O)CH3
  195910.2885  0.6565 -6.5304 3 1591.9909C24  595161404764432 0    764333 0      C-13-H3C(O)CH3
  195923.8073  0.0103 -5.1466 3   68.9074264  5951614041610 6 1    1511 5 1      C-13-H3C(O)CH3
  195955.9844  0.1164 -5.7367 3 1156.0143A32  595161404644223 0    644124 0      C-13-H3C(O)CH3
  195965.5080  0.0049 -5.2004 3   87.0503296  5951614041811 8 2    1712 5 2      C-13-H3C(O)CH3
  195965.5394  0.0150 -7.0018 3  378.1994600  595161404372216 0    362511 0      C-13-H3C(O)CH3
  195966.0757  0.0052 -5.2148 3   87.0526296  5951614041811 8 1    1712 5 1      C-13-H3C(O)CH3
  195975.5277  0.0124 -5.5572 3  192.4509424  5951614042618 8 2    261511 2      C-13-H3C(O)CH3
  195985.0744  0.0315 -5.5177 3  840.0259436  595161404543816 4    543717 4      C-13-H3C(O)CH3
  195987.2975  0.0067 -5.8409 3  139.1960376  595161404231212 0    2213 9 0      C-13-H3C(O)CH3
  195998.2590  0.0116 -5.5254 3  192.4602424  5951614042618 8 0    261511 0      C-13-H3C(O)CH3
  196043.1075  0.3215 -6.3990 3 1524.6320B92  595161404744629 1    744530 1      C-13-H3C(O)CH3
  196045.0996  0.0408 -5.2167 3  839.9703872  595161404543816 1    543717 1      C-13-H3C(O)CH3
  196045.6583  0.0180 -7.0287 3  378.1754600  595161404372216 1    362511 1      C-13-H3C(O)CH3
  196051.3669  0.0331 -5.2166 3  839.9819872  595161404543816 2    543717 2      C-13-H3C(O)CH3
  196051.9948  0.0531 -5.7085 3  985.5783484  595161404603427 4    603328 4      C-13-H3C(O)CH3
  196052.6671  0.0527 -5.7085 3  985.5783484  595161404603427 3    603328 3      C-13-H3C(O)CH3
  196084.3581  0.0518 -5.4074 3  985.5696968  595161404603427 2    603328 2      C-13-H3C(O)CH3
  196084.4023  0.0464 -5.4074 3  985.5683968  595161404603427 1    603328 1      C-13-H3C(O)CH3
  196087.9543  0.0214 -5.3402 3  399.1920284  5951614043533 3 4    3532 4 4      C-13-H3C(O)CH3
  196089.4291  0.0392 -5.2162 3  839.9271872  595161404543816 0    543717 0      C-13-H3C(O)CH3
  196116.8098  0.0454 -5.4074 3  985.5597968  595161404603427 0    603328 0      C-13-H3C(O)CH3
  196120.9368  0.3572 -6.6998 3 1524.6427596  595161404744629 3    744530 3      C-13-H3C(O)CH3
  196126.4083  0.3368 -6.6997 3 1524.6428596  595161404744629 4    744530 4      C-13-H3C(O)CH3
  196128.0599  0.3841 -6.4654 3 1561.6996C08  595161404754630 0    754531 0      C-13-H3C(O)CH3
  196131.6943  0.1160 -5.7498 3 1156.0491A32  595161404644223 1    644124 1      C-13-H3C(O)CH3
  196132.1114  0.1104 -5.7500 3 1156.0462A32  595161404644223 2    644124 2      C-13-H3C(O)CH3
  196135.6920  0.0391 -5.2160 3  839.9254872  595161404543817 0    543718 0      C-13-H3C(O)CH3
  196135.9451  0.0182 -5.2977 3  678.0703388  595161404483612 4    483513 4      C-13-H3C(O)CH3
  196153.4001  0.0043 -4.6377 3  507.8968712  595161404442024 0    441925 0      C-13-H3C(O)CH3
  196153.6326  0.0043 -4.6377 3  507.8968712  595161404442124 0    442025 0      C-13-H3C(O)CH3
  196156.4856  0.3560 -6.3720 3 1349.0523564  595161404704030 3    703931 3      C-13-H3C(O)CH3
  196156.6988  0.3543 -6.3720 3 1349.0524564  595161404704030 4    703931 4      C-13-H3C(O)CH3
  196173.6475  0.0149 -4.9966 3  678.0433776  595161404483612 2    483513 2      C-13-H3C(O)CH3
  196174.2087  0.0166 -5.0392 3  399.2557568  5951614043533 3 2    3532 4 2      C-13-H3C(O)CH3
  196176.6267  0.3914 -6.4653 3 1561.7080C08  595161404754630 2    754531 2      C-13-H3C(O)CH3
  196179.1700  0.0031 -5.1569 3   87.0228296  5951614041811 8 0    1712 5 0      C-13-H3C(O)CH3
  196180.1356  0.0145 -5.7053 3   78.8476140  5951614041711 6 4    1612 4 4      C-13-H3C(O)CH3
  196180.9573  0.0055 -4.6375 3  507.8719712  595161404442024 2    441925 2      C-13-H3C(O)CH3
  196181.2123  0.0055 -4.6375 3  507.8719712  595161404442124 2    442025 2      C-13-H3C(O)CH3
  196189.2469  0.0046 -4.6375 3  507.8738712  595161404442024 1    441925 1      C-13-H3C(O)CH3
  196189.4939  0.0047 -4.6375 3  507.8738712  595161404442124 1    442025 1      C-13-H3C(O)CH3
  196190.9771  0.0153 -5.2976 3  678.0438388  595161404483613 3    483513 3      C-13-H3C(O)CH3
  196191.1131  0.0285 -5.5222 3  840.0011436  595161404543816 3    543717 3      C-13-H3C(O)CH3
  196216.8812  0.0057 -4.9383 3  507.8488356  595161404442024 3    441925 3      C-13-H3C(O)CH3
  196216.9254  0.0057 -4.9383 3  507.8488356  595161404442024 4    441925 4      C-13-H3C(O)CH3
  196217.1523  0.0057 -4.9383 3  507.8488356  595161404442124 3    442025 3      C-13-H3C(O)CH3
  196217.1950  0.0057 -4.9383 3  507.8488356  595161404442124 4    442025 4      C-13-H3C(O)CH3
  196252.6620  0.0153 -4.9963 3  678.0284776  595161404483612 1    483513 1      C-13-H3C(O)CH3
  196256.0019  0.0392 -5.2159 3  839.9453872  595161404543817 1    543718 1      C-13-H3C(O)CH3
  196264.0310  0.0133 -7.0918 3   67.0094248  5951614041513 2 1    1510 6 1      C-13-H3C(O)CH3
  196264.9539  0.0033 -4.7067 3  277.8015276 -595161404341223 4    341124 4      C-13-H3C(O)CH3
  196264.9539  0.0030 -4.7067 3  277.8015276 -595161404341223 3    341124 3      C-13-H3C(O)CH3
  196264.9539  0.0030 -4.7067 3  277.8015276 -595161404341123 3    341024 3      C-13-H3C(O)CH3
  196264.9539  0.0033 -4.7067 3  277.8015276 -595161404341123 4    341024 4      C-13-H3C(O)CH3
  196282.2763  0.0385 -5.5219 3  839.9950436  595161404543817 3    543718 3      C-13-H3C(O)CH3
  196286.5305  0.2139 -6.8499 3  991.4514952  595161404594020 2    593920 2      C-13-H3C(O)CH3
  196290.1102  0.0143 -4.9963 3  678.0013776  595161404483612 0    483513 0      C-13-H3C(O)CH3
  196290.9120  0.0143 -4.9963 3  678.0013776  595161404483613 0    483514 0      C-13-H3C(O)CH3
  196296.1573  0.2804 -6.0704 3 1349.0408B28  595161404704030 1    703931 1      C-13-H3C(O)CH3
  196305.0312  0.1263 -6.0654 3 1156.0792516  595161404644223 4    644124 4      C-13-H3C(O)CH3
  196307.0257  0.0151 -4.9961 3  678.0018776  595161404483613 1    483514 1      C-13-H3C(O)CH3
  196323.4612  0.0189 -5.3395 3  399.2115284  5951614043533 3 3    3532 4 3      C-13-H3C(O)CH3
  196327.7109  0.0034 -5.4625 3   87.0616148  5951614041811 8 3    1712 5 3      C-13-H3C(O)CH3
  196331.0710  0.0030 -4.4053 3  277.8187552 -595161404341223 2    341124 2      C-13-H3C(O)CH3
  196331.0710  0.0030 -4.4053 3  277.8187552 -595161404341123 2    341024 2      C-13-H3C(O)CH3
  196332.9017  0.1810 -6.7837 3  991.4475952  595161404594020 1    593920 1      C-13-H3C(O)CH3
  196333.2130  0.0180 -5.0387 3  399.2432568  5951614043533 3 1    3532 4 1      C-13-H3C(O)CH3
  196334.3607  0.0158 -5.2972 3  678.0427388  595161404483612 3    483514 3      C-13-H3C(O)CH3
  196334.4458  0.1426 -6.0367 3 1156.0833516  595161404644223 3    644124 3      C-13-H3C(O)CH3
  196337.9615  0.0031 -4.4054 3  277.8200552 -595161404341123 1    341024 1      C-13-H3C(O)CH3
  196337.9615  0.0031 -4.4054 3  277.8200552 -595161404341223 1    341124 1      C-13-H3C(O)CH3
  196346.0848  0.0385 -5.2156 3  839.9511872  595161404543817 2    543718 2      C-13-H3C(O)CH3
  196365.6884  0.3452 -6.4647 3 1561.7079C08  595161404754630 1    754531 1      C-13-H3C(O)CH3
  196367.4703  0.0187 -5.3394 3  399.2337284  5951614043533 2 3    3532 3 3      C-13-H3C(O)CH3
  196371.2708  0.0145 -4.9960 3  678.0157776  595161404483613 2    483514 2      C-13-H3C(O)CH3
  196384.3834  0.5338 -6.5948 3 1468.0805588  595161404734231 3    734132 3      C-13-H3C(O)CH3
  196384.4086  0.5317 -6.5948 3 1468.0805588  595161404734231 4    734132 4      C-13-H3C(O)CH3
  196385.4448  0.2439 -6.1888 3 1409.8500B44  595161404714527 0    714428 0      C-13-H3C(O)CH3
  196388.0856  0.0163 -5.2968 3  678.0161388  595161404483613 4    483514 4      C-13-H3C(O)CH3
  196403.8198  0.0028 -4.4049 3  277.8371552 -595161404341123 0    341024 0      C-13-H3C(O)CH3
  196403.8198  0.0028 -4.4049 3  277.8371552 -595161404341223 0    341124 0      C-13-H3C(O)CH3
  196411.5682  0.0159 -5.0385 3  399.2751568  5951614043533 2 2    3532 3 2      C-13-H3C(O)CH3
  196412.4565  0.2915 -6.7656 3 1561.7163604  595161404754630 3    754531 3      C-13-H3C(O)CH3
  196414.6186  0.3784 -6.0700 3 1349.0468B28  595161404704030 2    703931 2      C-13-H3C(O)CH3
  196415.4688  0.0126 -7.0802 3   67.0096248  5951614041513 2 2    1510 6 2      C-13-H3C(O)CH3
  196415.5256  0.2769 -6.7656 3 1561.7164604  595161404754630 4    754531 4      C-13-H3C(O)CH3
  196421.5531  0.0160 -5.0388 3  399.3068568  5951614043533 2 0    3532 4 0      C-13-H3C(O)CH3
  196421.5531  0.0160 -5.0388 3  399.3068568  5951614043533 3 0    3532 3 0      C-13-H3C(O)CH3
  196453.9782  0.0071 -6.2410 3  251.3051504  595161404311517 1    301614 1      C-13-H3C(O)CH3
  196454.3508  0.0078 -6.5423 3  251.2839252  595161404311517 4    301614 4      C-13-H3C(O)CH3
  196458.7045  0.0077 -6.5423 3  251.2837252  595161404311517 3    301614 3      C-13-H3C(O)CH3
  196483.0810  0.0788 -5.9568 3 1125.7479516  595161404643728 4    643629 4      C-13-H3C(O)CH3
  196484.2247  0.0781 -5.9568 3 1125.7478516  595161404643728 3    643629 3      C-13-H3C(O)CH3
  196487.3443  0.0419 -5.5160 3  839.9703436  595161404543817 4    543718 4      C-13-H3C(O)CH3
  196501.7212  0.4280 -6.2933 3 1468.0711B76  595161404734231 1    734132 1      C-13-H3C(O)CH3
  196512.5911  0.0785 -5.6557 3 1125.7373A32  595161404643728 2    643629 2      C-13-H3C(O)CH3
  196515.0664  0.0810 -5.6557 3 1125.7346A32  595161404643728 1    643629 1      C-13-H3C(O)CH3
  196520.4166  0.0208 -5.3973 3  756.7036412  595161404513714 4    513615 4      C-13-H3C(O)CH3
  196525.2135  0.3282 -6.1884 3 1409.8677B44  595161404714527 2    714428 2      C-13-H3C(O)CH3
  196536.9846  0.0048 -6.0605 3   91.3523296  5951614041813 6 0    1810 9 0      C-13-H3C(O)CH3
  196544.7216  0.0811 -5.6557 3 1125.7241A32  595161404643728 0    643629 0      C-13-H3C(O)CH3
  196552.6522  0.2899 -6.0695 3 1349.0352B28  595161404704030 0    703931 0      C-13-H3C(O)CH3
  196578.3482  0.0059 -6.2373 3  251.3187504  595161404311517 0    301614 0      C-13-H3C(O)CH3
  196581.1281  0.0203 -5.0961 3  756.6669824  595161404513714 2    513615 2      C-13-H3C(O)CH3
  196582.1036  0.1113 -5.9269 3 1274.7546A96  595161404684029 2    683930 2      C-13-H3C(O)CH3
  196582.6433  0.0069 -6.2375 3  251.2974504  595161404311517 2    301614 2      C-13-H3C(O)CH3
  196590.3640  0.0083 -6.1839 3   15.2917136  595161404 8 7 2 1     7 4 3 1      C-13-H3C(O)CH3
  196591.7812  0.1013 -6.2279 3 1274.7641548  595161404684029 4    683930 4      C-13-H3C(O)CH3
  196593.1172  0.1006 -6.2279 3 1274.7641548  595161404684029 3    683930 3      C-13-H3C(O)CH3
  196594.9026  0.1388 -5.9269 3 1274.7413A96  595161404684029 0    683930 0      C-13-H3C(O)CH3
  196604.4029  0.1349 -5.9268 3 1274.7508A96  595161404684029 1    683930 1      C-13-H3C(O)CH3
  196604.4106  0.0183 -5.3387 3  399.2531284  5951614043533 2 4    3532 3 4      C-13-H3C(O)CH3
  196614.9886  0.0162 -5.0380 3  399.2848568  5951614043533 2 1    3532 3 1      C-13-H3C(O)CH3
  196617.2401  0.0233 -5.0959 3  756.6527824  595161404513714 1    513615 1      C-13-H3C(O)CH3
  196636.4556  0.0754 -5.4557 3  991.4035952  595161404594019 0    593920 0      C-13-H3C(O)CH3
  196644.9582  0.0109 -5.5260 3   78.7971280  5951614041711 6 2    1612 4 2      C-13-H3C(O)CH3
  196652.6498  0.2323 -6.1882 3 1409.8734B44  595161404714527 1    714428 1      C-13-H3C(O)CH3
  196654.4056  0.0181 -5.3971 3  756.6783412  595161404513714 3    513615 3      C-13-H3C(O)CH3
  196661.9367  0.0063 -5.8130 3  105.5939164  595161404201110 4    1912 7 4      C-13-H3C(O)CH3
  196668.2198  0.0077 -6.6727 3  300.7875276  595161404341519 4    331816 4      C-13-H3C(O)CH3
  196668.4061  0.0075 -6.6727 3  300.7875276  595161404341519 3    331816 3      C-13-H3C(O)CH3
  196674.7556  0.0232 -5.0957 3  756.6161824  595161404513714 0    513615 0      C-13-H3C(O)CH3
  196675.0800  0.0075 -6.3716 3  300.8133552  595161404341519 1    331816 1      C-13-H3C(O)CH3
  196678.9868  0.5728 -6.2927 3 1468.0789B76  595161404734231 2    734132 2      C-13-H3C(O)CH3
  196681.4573  0.0232 -5.0957 3  756.6159824  595161404513715 0    513616 0      C-13-H3C(O)CH3
  196698.3475  0.0028 -4.7482 3   63.7374164  59516140420 020 3    19 019 3      C-13-H3C(O)CH3
  196698.3475  0.0028 -4.7482 3   63.7374164  59516140420 120 3    19 119 3      C-13-H3C(O)CH3
  196698.3515  0.0028 -4.0643 3   63.7374164  59516140420 020 4    19 119 4      C-13-H3C(O)CH3
  196698.3515  0.0028 -4.0643 3   63.7374164  59516140420 120 4    19 019 4      C-13-H3C(O)CH3
  196698.3660  0.0028 -4.1498 3   63.7374164 -59516140420 020 3    19 119 3      C-13-H3C(O)CH3
  196698.3660  0.0028 -5.6121 3   63.7374164 -59516140420 020 4    19 019 4      C-13-H3C(O)CH3
  196698.3660  0.0028 -4.1498 3   63.7374164 -59516140420 120 3    19 019 3      C-13-H3C(O)CH3
  196698.3660  0.0028 -5.6121 3   63.7374164 -59516140420 120 4    19 119 4      C-13-H3C(O)CH3
  196704.7052  0.0032 -3.7912 3   63.6662328  59516140420 120 1    19 119 1      C-13-H3C(O)CH3
  196704.7052  0.0032 -4.8039 3   63.6662328  59516140420 020 1    19 119 1      C-13-H3C(O)CH3
  196704.7668  0.0032 -3.7912 3   63.6662328 -59516140420 020 1    19 019 1      C-13-H3C(O)CH3
  196704.7668  0.0031 -3.9281 3   63.6657328 -59516140420 120 2    19 119 2      C-13-H3C(O)CH3
  196704.7668  0.0032 -4.8039 3   63.6662328 -59516140420 120 1    19 019 1      C-13-H3C(O)CH3
  196704.7668  0.0031 -3.9281 3   63.6657328 -59516140420 020 2    19 019 2      C-13-H3C(O)CH3
  196704.8082  0.0031 -4.2260 3   63.6657328  59516140420 020 2    19 119 2      C-13-H3C(O)CH3
  196704.8082  0.0031 -4.2260 3   63.6657328  59516140420 120 2    19 019 2      C-13-H3C(O)CH3
  196711.1455  0.0029 -3.7580 3   63.5947328  59516140420 020 0    19 019 0      C-13-H3C(O)CH3
  196711.1455  0.0029 -5.5324 3   63.5947328  59516140420 120 0    19 019 0      C-13-H3C(O)CH3
  196711.1811  0.0029 -5.5324 3   63.5947328 -59516140420 020 0    19 119 0      C-13-H3C(O)CH3
  196711.1811  0.0029 -3.7580 3   63.5947328 -59516140420 120 0    19 119 0      C-13-H3C(O)CH3
  196721.4150  0.0079 -5.8114 3  105.5919164  595161404201110 3    1912 7 3      C-13-H3C(O)CH3
  196723.6634  0.0881 -5.4764 3  991.4475952  595161404594019 1    593920 1      C-13-H3C(O)CH3
  196730.8809  0.0147 -5.1786 3  495.2842324  5951614044034 7 4    4033 8 4      C-13-H3C(O)CH3
  196738.3068  0.0075 -6.3687 3  300.8081552  595161404341519 2    331816 2      C-13-H3C(O)CH3
  196744.7184  0.0065 -6.3687 3  300.8339552  595161404341519 0    331816 0      C-13-H3C(O)CH3
  196746.6246  0.2869 -7.2394 3 1156.0462A32  595161404644222 2    644124 2      C-13-H3C(O)CH3
  196751.0381  0.0242 -5.0954 3  756.6274824  595161404513715 1    513616 1      C-13-H3C(O)CH3
  196757.2884  0.2110 -7.2461 3 1156.0491A32  595161404644222 1    644124 1      C-13-H3C(O)CH3
  196758.6542  0.0766 -5.7622 3  991.5001476  595161404594019 4    593920 4      C-13-H3C(O)CH3
  196775.9909  0.0210 -5.3968 3  756.6740412  595161404513715 3    513616 3      C-13-H3C(O)CH3
  196780.5995  0.0145 -5.1784 3  495.3039324  5951614044034 7 3    4033 8 3      C-13-H3C(O)CH3
  196782.3243  0.0049 -6.3265 3  193.1526220  595161404271314 3    261611 3      C-13-H3C(O)CH3
  196782.4048  0.0734 -5.4732 3  991.4514952  595161404594019 2    593920 2      C-13-H3C(O)CH3
  196787.5904  0.3265 -6.4890 3 1409.8911572  595161404714527 3    714428 3      C-13-H3C(O)CH3
  196788.6431  0.0111 -5.4960 3   78.7981280  5951614041711 6 1    1612 4 1      C-13-H3C(O)CH3
  196795.4416  0.4434 -6.2922 3 1468.0695B76  595161404734231 0    734132 0      C-13-H3C(O)CH3
  196796.1338  0.2972 -6.4887 3 1409.8910572  595161404714527 4    714428 4      C-13-H3C(O)CH3
  196798.5125  0.0048 -6.3265 3  193.1521220  595161404271314 4    261611 4      C-13-H3C(O)CH3
  196803.2806  0.1603 -6.5533 3  991.4818476  595161404594020 3    593920 3      C-13-H3C(O)CH3
  196808.2018  0.0119 -4.8776 3  495.3221648  5951614044034 7 2    4033 8 2      C-13-H3C(O)CH3
  196808.9625  0.0101 -6.1821 3   15.2897136  595161404 8 7 2 2     7 4 3 2      C-13-H3C(O)CH3
  196818.1809  0.0051 -6.0219 3  193.1589440  595161404271314 2    261611 2      C-13-H3C(O)CH3
  196828.5694  0.0052 -6.0243 3  193.1628440  595161404271314 1    261611 1      C-13-H3C(O)CH3
  196832.2728  0.0062 -5.9478 3  168.2465408  595161404251312 0    2416 9 0      C-13-H3C(O)CH3
  196836.2127  0.0219 -5.0952 3  756.6374824  595161404513715 2    513616 2      C-13-H3C(O)CH3
  196841.3764  0.0060 -5.5070 3  105.5737328  595161404201110 1    1912 7 1      C-13-H3C(O)CH3
  196857.6556  0.0050 -6.0208 3  193.1693440  595161404271314 0    261611 0      C-13-H3C(O)CH3
  196858.9114  0.0119 -4.8774 3  495.3416648  5951614044034 6 2    4033 7 2      C-13-H3C(O)CH3
  196871.9243  0.0128 -4.8773 3  495.3040648  5951614044034 7 1    4033 8 1      C-13-H3C(O)CH3
  196883.5133  0.0034 -4.7000 3  257.3364268 -595161404331123 4    331024 4      C-13-H3C(O)CH3
  196883.5133  0.0030 -4.7001 3  257.3364268 -595161404331023 3    33 924 3      C-13-H3C(O)CH3
  196883.5133  0.0030 -4.7001 3  257.3364268 -595161404331123 3    331024 3      C-13-H3C(O)CH3
  196883.5133  0.0034 -4.7000 3  257.3364268 -595161404331023 4    33 924 4      C-13-H3C(O)CH3
  196884.0274  0.0065 -5.9511 3  168.2388408  595161404251312 2    2416 9 2      C-13-H3C(O)CH3
  196897.3087  0.0142 -5.1782 3  495.3179324  5951614044034 6 3    4033 7 3      C-13-H3C(O)CH3
  196908.7665  0.0241 -5.3959 3  756.6487412  595161404513715 4    513616 4      C-13-H3C(O)CH3
  196912.3153  0.0118 -7.1476 3  494.3916356  595161404441826 4    432123 4      C-13-H3C(O)CH3
  196912.3935  0.0118 -7.1476 3  494.3916356  595161404441826 3    432123 3      C-13-H3C(O)CH3
  196913.5185  0.0118 -7.1476 3  494.3915356  595161404441926 4    432023 4      C-13-H3C(O)CH3
  196913.6022  0.0118 -7.1476 3  494.3916356  595161404441926 3    432023 3      C-13-H3C(O)CH3
  196926.3203  0.1279 -5.8314 3  991.4818476  595161404594019 3    593920 3      C-13-H3C(O)CH3
  196937.9409  0.0112 -6.8472 3  494.4167712  595161404441826 1    432123 1      C-13-H3C(O)CH3
  196939.0553  0.0112 -6.8472 3  494.4167712  595161404441926 1    432023 1      C-13-H3C(O)CH3
  196946.7730  0.0147 -5.1780 3  495.3374324  5951614044034 6 4    4033 7 4      C-13-H3C(O)CH3
  196951.0757  0.0121 -4.8773 3  495.3417648  5951614044034 6 0    4033 7 0      C-13-H3C(O)CH3
  196951.0758  0.0121 -4.8773 3  495.3417648  5951614044034 7 0    4033 8 0      C-13-H3C(O)CH3
  196955.4165  0.0133 -5.5226 3   68.9068132  5951614041610 6 4    1511 5 4      C-13-H3C(O)CH3
  196962.9271  0.0119 -6.8452 3  494.4142712  595161404441826 2    432123 2      C-13-H3C(O)CH3
  196964.0789  0.0119 -6.8451 3  494.4142712  595161404441926 2    432023 2      C-13-H3C(O)CH3
  196971.1568  0.0030 -4.3988 3  257.3490536 -595161404331123 2    331024 2      C-13-H3C(O)CH3
  196971.1568  0.0030 -4.3987 3  257.3490536 -595161404331023 2    33 924 2      C-13-H3C(O)CH3
  196977.6043  0.0030 -4.3987 3  257.3502536 -595161404331123 1    331024 1      C-13-H3C(O)CH3
  196977.6043  0.0030 -4.3985 3  257.3502536 -595161404331023 1    33 924 1      C-13-H3C(O)CH3
  196978.9955  0.0063 -5.5013 3  105.5658328  595161404201110 2    1912 7 2      C-13-H3C(O)CH3
  196988.3437  0.0097 -6.8459 3  494.4393712  595161404441826 0    432123 0      C-13-H3C(O)CH3
  196989.4062  0.0097 -6.8459 3  494.4392712  595161404441926 0    432023 0      C-13-H3C(O)CH3
  197005.1493  0.0080 -4.8761 3  670.8837808  595161404502525 0    502426 0      C-13-H3C(O)CH3
  197015.8611  0.0080 -4.8761 3  670.8837808  595161404502625 0    502526 0      C-13-H3C(O)CH3
  197016.9023  0.0068 -6.2776 3   15.3571 68  595161404 8 7 2 3     7 4 3 3      C-13-H3C(O)CH3
  197022.6022  0.0125 -4.8759 3  670.8729808  595161404502525 2    502426 2      C-13-H3C(O)CH3
  197029.5528  0.0088 -4.8759 3  670.8741808  595161404502525 1    502426 1      C-13-H3C(O)CH3
  197034.1393  0.0123 -4.8759 3  670.8729808  595161404502625 2    502526 2      C-13-H3C(O)CH3
  197039.4033  0.0122 -4.8769 3  495.3375648  5951614044034 6 1    4033 7 1      C-13-H3C(O)CH3
  197040.9496  0.0088 -4.8759 3  670.8741808  595161404502625 1    502526 1      C-13-H3C(O)CH3
  197047.0235  0.0130 -5.1767 3  670.8632404  595161404502525 3    502426 3      C-13-H3C(O)CH3
  197047.1277  0.0131 -5.1767 3  670.8632404  595161404502525 4    502426 4      C-13-H3C(O)CH3
  197053.5422  0.0735 -5.4539 3  991.3875952  595161404594020 0    593921 0      C-13-H3C(O)CH3
  197059.3014  0.0129 -5.1767 3  670.8632404  595161404502625 3    502526 3      C-13-H3C(O)CH3
  197059.3648  0.0130 -5.1767 3  670.8632404  595161404502625 4    502526 4      C-13-H3C(O)CH3
  197065.1367  0.0028 -4.3981 3  257.3628536 -595161404331123 0    331024 0      C-13-H3C(O)CH3
  197065.1367  0.0028 -4.3981 3  257.3628536 -595161404331023 0    33 924 0      C-13-H3C(O)CH3
  197067.4438  0.0068 -6.2504 3  168.2329204  595161404251312 3    2416 9 3      C-13-H3C(O)CH3
  197122.9551  0.0151 -7.3333 3  392.3697308  595161404382118 4    372413 4      C-13-H3C(O)CH3
  197125.4286  0.0043 -5.4973 3  105.5467328  595161404201110 0    1912 7 0      C-13-H3C(O)CH3
  197127.6832  0.0069 -5.9530 3  168.2369408  595161404251312 1    2416 9 1      C-13-H3C(O)CH3
  197133.9294  0.5048 -7.2305 3 1156.0792516  595161404644222 4    644124 4      C-13-H3C(O)CH3
  197147.4762  0.0139 -7.3311 3  392.3689308  595161404382118 3    372413 3      C-13-H3C(O)CH3
  197167.6704  0.0245 -5.4741 3  382.7623276  5951614043433 2 4    3432 3 4      C-13-H3C(O)CH3
  197172.7430  0.0741 -5.4747 3  991.4195952  595161404594020 1    593921 1      C-13-H3C(O)CH3
  197173.9654  0.0089 -5.4666 3  115.2710328  5951614042015 6 0    1916 3 0      C-13-H3C(O)CH3
  197218.4398  0.0833 -5.4715 3  991.4203952  595161404594020 2    593921 2      C-13-H3C(O)CH3
  197227.0377  0.0067 -5.3787 3  219.6781456  595161404281810 0    281513 0      C-13-H3C(O)CH3
  197238.4092  0.0080 -5.3816 3  219.6700456  595161404281810 1    281513 1      C-13-H3C(O)CH3
  197244.3765  0.0194 -5.1732 3  382.8314552  5951614043433 2 2    3432 3 2      C-13-H3C(O)CH3
  197244.9312  0.0151 -7.0269 3  392.3890616  595161404382118 2    372413 2      C-13-H3C(O)CH3
  197252.6193  0.0145 -5.2067 3  582.5736356  595161404443510 3    443411 3      C-13-H3C(O)CH3
  197253.6160  0.0078 -5.3797 3  219.6620456  595161404281810 2    281513 2      C-13-H3C(O)CH3
  197262.7610  0.0058 -5.6839 3  219.6541228  595161404281810 4    281513 4      C-13-H3C(O)CH3
  197263.9738  0.0114 -5.6833 3  219.6538228  595161404281810 3    281513 3      C-13-H3C(O)CH3
  197279.2337  0.1021 -5.8299 3  991.4660476  595161404594020 3    593921 3      C-13-H3C(O)CH3
  197280.5195  0.0077 -6.3687 3  300.7932552  595161404341619 1    331716 1      C-13-H3C(O)CH3
  197284.5763  0.0079 -6.6696 3  300.7670276  595161404341619 4    331716 4      C-13-H3C(O)CH3
  197285.8946  0.0078 -6.6696 3  300.7669276  595161404341619 3    331716 3      C-13-H3C(O)CH3
  197293.5101  0.0085 -6.2630 3  168.2256204  595161404251312 4    2416 9 4      C-13-H3C(O)CH3
  197296.6564  0.0132 -4.9057 3  582.5910712  5951614044435 9 2    443410 2      C-13-H3C(O)CH3
  197312.9732  0.0169 -5.2066 3  582.6027356  5951614044435 9 4    443410 4      C-13-H3C(O)CH3
  197325.2930  0.2348 -6.2169 3 1432.5645B60  595161404724330 0    724231 0      C-13-H3C(O)CH3
  197330.0276  0.0063 -7.3241 3   15.3571 68  595161404 8 7 1 3     7 4 3 3      C-13-H3C(O)CH3
  197336.0730  0.0134 -5.2064 3  582.5507356  595161404443510 4    443411 4      C-13-H3C(O)CH3
  197338.1847  0.1753 -6.2169 3 1432.5754B60  595161404724330 2    724231 2      C-13-H3C(O)CH3
  197354.0529  0.0084 -5.4666 3  115.2961328  5951614042015 5 2    1916 3 2      C-13-H3C(O)CH3
  197355.7591  0.0065 -6.3657 3  300.8136552  595161404341619 0    331716 0      C-13-H3C(O)CH3
  197361.3128  0.0076 -6.3656 3  300.7874552  595161404341619 2    331716 2      C-13-H3C(O)CH3
  197374.2015  0.0123 -4.9054 3  582.5505712  595161404443510 1    443411 1      C-13-H3C(O)CH3
  197379.7181  0.0090 -5.4656 3  115.2710328  5951614042015 5 0    1916 4 0      C-13-H3C(O)CH3
  197379.9109  0.0120 -4.9055 3  582.5682712  595161404443510 2    443411 2      C-13-H3C(O)CH3
  197381.5708  0.0139 -7.0258 3  392.3896616  595161404382118 1    372413 1      C-13-H3C(O)CH3
  197397.4520  0.0147 -5.2063 3  582.5800356  5951614044435 9 3    443410 3      C-13-H3C(O)CH3
  197402.2735  0.1967 -6.5507 3  991.4660476  595161404594019 3    593921 3      C-13-H3C(O)CH3
  197411.3569  0.2196 -6.2166 3 1432.5713B60  595161404724330 1    724231 1      C-13-H3C(O)CH3
  197419.2423  0.0124 -4.9055 3  582.5678712  5951614044435 9 0    443410 0      C-13-H3C(O)CH3
  197419.2555  0.0124 -4.9055 3  582.5678712  595161404443510 0    443411 0      C-13-H3C(O)CH3
  197424.3651  0.1198 -6.5176 3 1432.5823580  595161404724330 4    724231 4      C-13-H3C(O)CH3
  197424.9884  0.1220 -6.5176 3 1432.5823580  595161404724330 3    724231 3      C-13-H3C(O)CH3
  197429.0704  0.0211 -5.1727 3  382.8218552  5951614043433 2 1    3432 3 1      C-13-H3C(O)CH3
  197435.7158  0.0136 -4.9053 3  582.5796712  5951614044435 9 1    443410 1      C-13-H3C(O)CH3
  197443.4139  0.0037 -7.3015 3  237.4589260  595161404321023 4    32 824 4      C-13-H3C(O)CH3
  197443.4139  0.0037 -7.2787 3  237.4589260  59516140432 923 4    32 924 4      C-13-H3C(O)CH3
  197443.5145  0.0032 -4.6989 3  237.4588260 -59516140432 923 3    32 824 3      C-13-H3C(O)CH3
  197443.5145  0.0037 -4.6999 3  237.4589260 -59516140432 923 4    32 824 4      C-13-H3C(O)CH3
  197443.5145  0.0032 -4.6989 3  237.4588260 -595161404321023 3    32 924 3      C-13-H3C(O)CH3
  197443.5145  0.0037 -4.7000 3  237.4589260 -595161404321023 4    32 924 4      C-13-H3C(O)CH3
  197446.4376  0.1013 -5.7597 3  991.4479476  595161404594020 4    593921 4      C-13-H3C(O)CH3
  197450.9996  0.0218 -5.4733 3  382.7839276  5951614043433 2 3    3432 3 3      C-13-H3C(O)CH3
  197467.4585  0.0291 -5.4207 3  821.1972444  595161404552926 3    552827 3      C-13-H3C(O)CH3
  197467.6195  0.0292 -5.4207 3  821.1972444  595161404552926 4    552827 4      C-13-H3C(O)CH3
  197467.9273  0.0218 -5.4734 3  382.8076276  5951614043433 1 3    3432 2 3      C-13-H3C(O)CH3
  197480.1173  0.0284 -5.1197 3  821.1957888  595161404552926 2    552827 2      C-13-H3C(O)CH3
  197483.7710  0.0206 -5.1197 3  821.1958888  595161404552926 1    552827 1      C-13-H3C(O)CH3
  197495.3350  0.0135 -7.0214 3  392.4091616  595161404382118 0    372413 0      C-13-H3C(O)CH3
  197496.1475  0.0197 -5.1198 3  821.1943888  595161404552926 0    552827 0      C-13-H3C(O)CH3
  197498.3529  0.0040 -4.5989 3  481.6130696  595161404431924 0    431825 0      C-13-H3C(O)CH3
  197498.4270  0.0040 -4.5989 3  481.6130696  595161404432024 0    431925 0      C-13-H3C(O)CH3
  197507.7650  0.0185 -5.1727 3  382.8910552  5951614043433 2 0    3432 3 0      C-13-H3C(O)CH3
  197507.7650  0.0185 -5.1727 3  382.8910552  5951614043433 1 0    3432 2 0      C-13-H3C(O)CH3
  197523.5165  0.0049 -4.5986 3  481.5864696  595161404431924 2    431825 2      C-13-H3C(O)CH3
  197523.5984  0.0049 -4.5986 3  481.5864696  595161404432024 2    431925 2      C-13-H3C(O)CH3
  197529.6842  0.0187 -5.1724 3  382.8530552  5951614043433 1 2    3432 2 2      C-13-H3C(O)CH3
  197531.5904  0.0044 -4.5986 3  481.5882696  595161404431924 1    431825 1      C-13-H3C(O)CH3
  197531.6693  0.0044 -4.5986 3  481.5882696  595161404432024 1    431925 1      C-13-H3C(O)CH3
  197555.0909  0.0029 -4.4036 3  237.4661520 -59516140432 923 2    32 824 2      C-13-H3C(O)CH3
  197555.0909  0.0029 -4.3971 3  237.4661520 -595161404321023 2    32 924 2      C-13-H3C(O)CH3
  197555.1089  0.0029 -6.2294 3  237.4661520  595161404321023 2    32 824 2      C-13-H3C(O)CH3
  197556.8265  0.0051 -4.8994 3  481.5615348  595161404431924 3    431825 3      C-13-H3C(O)CH3
  197556.8487  0.0051 -4.8994 3  481.5615348  595161404431924 4    431825 4      C-13-H3C(O)CH3
  197556.9136  0.0051 -4.8994 3  481.5615348  595161404432024 3    431925 3      C-13-H3C(O)CH3
  197556.9353  0.0051 -4.8994 3  481.5615348  595161404432024 4    431925 4      C-13-H3C(O)CH3
  197560.9765  0.0030 -4.3972 3  237.4671520 -595161404321023 1    32 924 1      C-13-H3C(O)CH3
  197560.9765  0.0030 -4.3972 3  237.4671520 -59516140432 923 1    32 824 1      C-13-H3C(O)CH3
  197563.5047  0.2104 -6.7780 3  991.4195952  595161404594019 1    593921 1      C-13-H3C(O)CH3
  197572.4391  0.0090 -5.4651 3  115.2880328  5951614042015 5 1    1916 3 1      C-13-H3C(O)CH3
  197602.4214  0.0274 -5.4202 3  821.1978444  595161404553026 4    552927 4      C-13-H3C(O)CH3
  197602.5328  0.0273 -5.4202 3  821.1978444  595161404553026 3    552927 3      C-13-H3C(O)CH3
  197607.5411  0.0264 -5.1192 3  821.1963888  595161404553026 2    552927 2      C-13-H3C(O)CH3
  197611.1890  0.0205 -5.1192 3  821.1964888  595161404553026 1    552927 1      C-13-H3C(O)CH3
  197616.3548  0.0193 -5.1193 3  821.1948888  595161404553026 0    552927 0      C-13-H3C(O)CH3
  197629.3290  0.0245 -6.8211 3  115.2461164  5951614042015 6 3    1916 3 3      C-13-H3C(O)CH3
  197632.1876  0.0207 -6.8684 3  105.5939156  5951614041915 5 4    1912 7 4      C-13-H3C(O)CH3
  197642.8442  0.0122 -5.7642 3  115.3131164  5951614042015 5 4    1916 3 4      C-13-H3C(O)CH3
  197663.1377  0.0088 -5.1121 3   78.7361280  5951614041711 6 0    1612 5 0      C-13-H3C(O)CH3
  197672.2096  0.0028 -4.3969 3  237.4743520 -59516140432 923 0    32 824 0      C-13-H3C(O)CH3
  197672.2096  0.0028 -4.3969 3  237.4743520 -595161404321023 0    32 924 0      C-13-H3C(O)CH3
  197682.7397  0.0085 -5.4653 3  115.2293328  5951614042015 6 2    1916 4 2      C-13-H3C(O)CH3
  197714.3142  0.2797 -6.8433 3  991.4203952  595161404594019 2    593921 2      C-13-H3C(O)CH3
  197731.8448  0.0192 -5.1719 3  382.8670552  5951614043433 1 1    3432 2 1      C-13-H3C(O)CH3
  197736.9283  0.0103 -6.6842 3   78.7917140  5951614041711 6 3    1612 4 3      C-13-H3C(O)CH3
  197738.9907  0.0087 -5.4652 3  115.2160328  5951614042015 6 1    1916 4 1      C-13-H3C(O)CH3
  197753.2495  0.0216 -5.4725 3  382.8291276  5951614043433 1 4    3432 2 4      C-13-H3C(O)CH3
  197773.6841  0.0073 -6.6848 3   91.3779296  5951614041813 5 1    1810 9 1      C-13-H3C(O)CH3
  197784.5663  0.0102 -5.8039 3  115.2410164  5951614042015 6 3    1916 4 3      C-13-H3C(O)CH3
  197800.1568  0.0072 -6.7402 3   91.3751296  5951614041813 5 2    1810 9 2      C-13-H3C(O)CH3
  197867.1701  0.0023 -6.9564 3   29.6269 92  59516140411 7 5 4    10 6 5 4      C-13-H3C(O)CH3
  197902.2970  0.0074 -5.9449 3   15.2238136  595161404 8 7 2 0     7 4 3 0      C-13-H3C(O)CH3
  197921.2008  0.0022 -7.2963 3   31.1985 92  59516140411 8 3 3    10 7 3 3      C-13-H3C(O)CH3
  197949.5943  0.0040 -4.7045 3  218.1704252  59516140431 923 4    31 724 4      C-13-H3C(O)CH3
  197949.5943  0.0040 -4.7045 3  218.1704252  59516140431 823 4    31 824 4      C-13-H3C(O)CH3
  197949.7731  0.0034 -6.1578 3  218.1703252  59516140431 923 3    31 824 3      C-13-H3C(O)CH3
  197949.7731  0.0034 -6.1229 3  218.1703252  59516140431 823 3    31 724 3      C-13-H3C(O)CH3
  197949.7731  0.0034 -4.7198 3  218.1703252  59516140431 923 3    31 724 3      C-13-H3C(O)CH3
  197949.7731  0.0034 -4.7211 3  218.1703252  59516140431 823 3    31 824 3      C-13-H3C(O)CH3
  197978.0340  0.1408 -5.8558 3 1226.8198A64  595161404664324 0    664225 0      C-13-H3C(O)CH3
  197993.4319  0.0129 -7.1175 3   59.8292232  5951614041413 1 0    1410 4 0      C-13-H3C(O)CH3
  198013.3550  0.0099 -5.8021 3  115.2461164  5951614042015 5 3    1916 3 3      C-13-H3C(O)CH3
  198023.5887  0.0144 -7.2295 3   59.8719232  5951614041413 1 1    1410 4 1      C-13-H3C(O)CH3
  198048.7325  0.0023 -7.1873 3   29.5726184  59516140411 7 5 1    10 6 5 1      C-13-H3C(O)CH3
  198056.2272  0.0024 -7.3025 3   29.5718184  59516140411 7 5 2    10 6 5 2      C-13-H3C(O)CH3
  198087.0882  0.0030 -4.4118 3  218.1712504 -59516140431 823 2    31 724 2      C-13-H3C(O)CH3
  198087.0882  0.0030 -4.4119 3  218.1712504 -59516140431 923 2    31 824 2      C-13-H3C(O)CH3
  198087.0893  0.0030 -6.0693 3  218.1712504  59516140431 823 2    31 824 2      C-13-H3C(O)CH3
  198087.0893  0.0030 -6.0649 3  218.1712504  59516140431 923 2    31 724 2      C-13-H3C(O)CH3
  198092.3695  0.0031 -4.4218 3  218.1721504  59516140431 823 1    31 824 1      C-13-H3C(O)CH3
  198092.3695  0.0031 -4.4217 3  218.1721504  59516140431 923 1    31 724 1      C-13-H3C(O)CH3
  198092.3782  0.0031 -5.7630 3  218.1721504 -59516140431 823 1    31 724 1      C-13-H3C(O)CH3
  198092.3782  0.0031 -5.7648 3  218.1721504 -59516140431 923 1    31 824 1      C-13-H3C(O)CH3
  198094.2047  0.0065 -7.3149 3   11.4874 60  595161404 7 7 1 4     6 4 3 4      C-13-H3C(O)CH3
  198146.3365  0.0281 -5.7342 3  366.8340268  5951614043333 1 4    3332 2 4      C-13-H3C(O)CH3
  198149.6909  0.0104 -5.7628 3  115.1742164  5951614042015 6 4    1916 4 4      C-13-H3C(O)CH3
  198159.1868  0.1557 -5.8569 3 1226.8493A64  595161404664324 2    664225 2      C-13-H3C(O)CH3
  198168.5923  0.0251 -6.8190 3  115.2410164  5951614042015 5 3    1916 4 3      C-13-H3C(O)CH3
  198178.0366  0.1379 -5.8590 3 1226.8539A64  595161404664324 1    664225 1      C-13-H3C(O)CH3
  198211.1862  0.0228 -5.4333 3  366.9084536  5951614043333 1 2    3332 2 2      C-13-H3C(O)CH3
  198229.4238  0.0029 -5.5485 3  218.1729504  59516140431 923 0    31 724 0      C-13-H3C(O)CH3
  198229.4238  0.0029 -5.5264 3  218.1729504  59516140431 823 0    31 824 0      C-13-H3C(O)CH3
  198229.4271  0.0029 -4.4354 3  218.1729504 -59516140431 823 0    31 724 0      C-13-H3C(O)CH3
  198229.4271  0.0029 -4.4337 3  218.1729504 -59516140431 923 0    31 824 0      C-13-H3C(O)CH3
  198234.2900  0.0026 -5.2043 3   31.1480184  59516140411 8 3 1    10 7 3 1      C-13-H3C(O)CH3
  198236.0578  0.0105 -6.8501 3   91.4006148  5951614041813 5 4    1810 9 4      C-13-H3C(O)CH3
  198243.3718  0.0027 -5.2905 3   31.1461184  59516140411 8 3 2    10 7 3 2      C-13-H3C(O)CH3
  198244.3482  0.0034 -4.3014 3   29.3014 84 -5951614041010 1 4     9 9 1 4      C-13-H3C(O)CH3
  198295.8480  0.0161 -5.1974 3  476.3514316  5951614043934 6 4    3933 7 4      C-13-H3C(O)CH3
  198299.7918  0.0024 -5.0991 3   31.2083 92  59516140411 8 3 4    10 7 3 4      C-13-H3C(O)CH3
  198302.8034  0.0140 -7.2457 3   59.8699232  5951614041413 1 2    1410 4 2      C-13-H3C(O)CH3
  198356.3295  0.1900 -6.1563 3 1226.8844532  595161404664324 3    664225 3      C-13-H3C(O)CH3
  198362.5695  0.1520 -6.1643 3 1226.8825532  595161404664324 4    664225 4      C-13-H3C(O)CH3
  198371.0133  0.0030 -4.3009 3   29.3781 84  5951614041010 0 3     9 9 0 3      C-13-H3C(O)CH3
  198373.3199  0.0125 -4.8964 3  476.3951632  5951614043934 6 2    3933 7 2      C-13-H3C(O)CH3
  198381.4847  0.0031 -4.3008 3   29.3728 84 -5951614041010 1 3     9 9 1 3      C-13-H3C(O)CH3
  198387.7245  0.1091 -5.8843 3 1088.1483508  595161404633528 3    633429 3      C-13-H3C(O)CH3
  198388.1222  0.1088 -5.8843 3 1088.1483508  595161404633528 4    633429 4      C-13-H3C(O)CH3
  198394.7921  0.0151 -5.1971 3  476.3710316  5951614043934 6 3    3933 7 3      C-13-H3C(O)CH3
  198401.9253  0.0112 -5.4307 3   78.7695140  5951614041711 6 3    1612 5 3      C-13-H3C(O)CH3
  198405.9038  0.0045 -4.7188 3  199.4723244  59516140430 823 4    30 624 4      C-13-H3C(O)CH3
  198405.9038  0.0045 -4.7251 3  199.4723244  59516140430 723 4    30 724 4      C-13-H3C(O)CH3
  198405.9038  0.0045 -6.2601 3  199.4723244  59516140430 823 4    30 724 4      C-13-H3C(O)CH3
  198406.0528  0.0038 -6.8906 3  199.4723244  59516140430 723 3    30 624 3      C-13-H3C(O)CH3
  198406.0528  0.0038 -4.7204 3  199.4723244  59516140430 723 3    30 724 3      C-13-H3C(O)CH3
  198406.0528  0.0038 -6.7578 3  199.4723244  59516140430 823 3    30 724 3      C-13-H3C(O)CH3
  198406.0528  0.0038 -4.7215 3  199.4723244  59516140430 823 3    30 624 3      C-13-H3C(O)CH3
  198419.7736  0.0248 -5.4327 3  366.9021536  5951614043333 1 1    3332 2 1      C-13-H3C(O)CH3
  198425.8120  0.0186 -6.8458 3  222.2665228  595161404281910 4    281612 4      C-13-H3C(O)CH3
  198460.8947  0.0074 -6.3078 3   15.2917136  595161404 8 7 1 1     7 4 3 1      C-13-H3C(O)CH3
  198464.7998  0.0257 -5.7334 3  366.8832268  5951614043333 0 3    3332 1 3      C-13-H3C(O)CH3
  198466.6245  0.0134 -4.8961 3  476.3780632  5951614043934 6 1    3933 7 1      C-13-H3C(O)CH3
  198473.5602  0.0121 -4.8961 3  476.4146632  5951614043934 5 2    3933 6 2      C-13-H3C(O)CH3
  198476.2672  0.0257 -5.7333 3  366.8585268  5951614043333 1 3    3332 2 3      C-13-H3C(O)CH3
  198482.3424  0.0821 -5.5829 3 1088.1357A16  595161404633528 1    633429 1      C-13-H3C(O)CH3
  198486.4761  0.0214 -5.4328 3  366.9767536  5951614043333 1 0    3332 1 0      C-13-H3C(O)CH3
  198486.4761  0.0214 -5.4328 3  366.9767536  5951614043333 0 0    3332 2 0      C-13-H3C(O)CH3
  198491.6985  0.0147 -5.1969 3  476.3878316  5951614043934 5 3    3933 6 3      C-13-H3C(O)CH3
  198505.5197  0.1116 -5.5829 3 1088.1382A16  595161404633528 2    633429 2      C-13-H3C(O)CH3
  198508.7947  0.0024 -4.3003 3   29.4496 84 -5951614041010 0 4     9 9 0 4      C-13-H3C(O)CH3
  198509.4536  0.0074 -6.3168 3   15.2897136  595161404 8 7 1 2     7 4 3 2      C-13-H3C(O)CH3
  198527.4977  0.0033 -3.9990 3   29.2959168 -5951614041010 1 1     9 9 1 1      C-13-H3C(O)CH3
  198538.3932  2.0020 -7.1557 3 1918.2282D36  595161404835231 2    835132 2      C-13-H3C(O)CH3
  198543.1492  0.0222 -5.4324 3  366.9329536  5951614043333 0 2    3332 1 2      C-13-H3C(O)CH3
  198546.0079  0.0123 -4.8961 3  476.4216632  5951614043934 5 0    3933 6 0      C-13-H3C(O)CH3
  198546.0079  0.0123 -4.8961 3  476.4216632  5951614043934 6 0    3933 7 0      C-13-H3C(O)CH3
  198557.6808  0.0031 -3.9988 3   29.3042168 -5951614041010 1 2     9 9 1 2      C-13-H3C(O)CH3
  198571.1201  0.0032 -5.6312 3  199.4657488 -59516140430 823 2    30 724 2      C-13-H3C(O)CH3
  198571.1201  0.0032 -5.7765 3  199.4657488 -59516140430 723 2    30 624 2      C-13-H3C(O)CH3
  198571.1277  0.0032 -4.4348 3  199.4657488  59516140430 723 2    30 724 2      C-13-H3C(O)CH3
  198571.1277  0.0032 -4.4427 3  199.4657488  59516140430 823 2    30 624 2      C-13-H3C(O)CH3
  198572.8532  0.0141 -6.8362 3  222.2825456  595161404281910 1    281612 1      C-13-H3C(O)CH3
  198574.9108  0.0116 -5.3207 3   78.7327280  5951614041711 6 2    1612 5 2      C-13-H3C(O)CH3
  198575.7895  0.0034 -4.4324 3  199.4665488  59516140430 823 1    30 624 1      C-13-H3C(O)CH3
  198575.7895  0.0034 -4.4452 3  199.4665488  59516140430 723 1    30 724 1      C-13-H3C(O)CH3
  198575.7990  0.0034 -5.5956 3  199.4665488 -59516140430 723 1    30 624 1      C-13-H3C(O)CH3
  198575.7990  0.0034 -5.8341 3  199.4665488 -59516140430 823 1    30 724 1      C-13-H3C(O)CH3
  198590.8374  0.0146 -5.1966 3  476.4072316  5951614043934 5 4    3933 6 4      C-13-H3C(O)CH3
  198598.5823  0.0831 -5.5826 3 1088.1257A16  595161404633528 0    633429 0      C-13-H3C(O)CH3
  198647.2579  0.2396 -6.6857 3 1057.0017984  595161404614121 2    614021 2      C-13-H3C(O)CH3
  198654.7186  0.0028 -3.9985 3   29.3726168 -5951614041010 0 1     9 9 0 1      C-13-H3C(O)CH3
  198656.5443  0.2051 -6.7359 3 1057.0011984  595161404614121 1    614021 1      C-13-H3C(O)CH3
  198663.8962  0.0122 -4.8956 3  476.4142632  5951614043934 5 1    3933 6 1      C-13-H3C(O)CH3
  198670.4605  1.5946 -7.1547 3 1918.2298D36  595161404835231 0    835132 0      C-13-H3C(O)CH3
  198695.5017  0.0030 -3.9983 3   29.3756168 -5951614041010 0 2     9 9 0 2      C-13-H3C(O)CH3
  198703.5033  0.0094 -5.3469 3  236.7056472  595161404291910 1    291613 1      C-13-H3C(O)CH3
  198711.7591  0.2996 -6.3251 3 1487.9972B76  595161404734628 0    734529 0      C-13-H3C(O)CH3
  198733.0948  0.0037 -4.5627 3  455.9003680  595161404421824 0    421725 0      C-13-H3C(O)CH3
  198733.1174  0.0037 -4.5627 3  455.9003680  595161404421924 0    421825 0      C-13-H3C(O)CH3
  198740.5382  0.0031 -5.5722 3  199.4600488  59516140430 823 0    30 624 0      C-13-H3C(O)CH3
  198740.5382  0.0031 -5.5722 3  199.4600488  59516140430 723 0    30 724 0      C-13-H3C(O)CH3
  198740.5542  0.0031 -4.4458 3  199.4600488 -59516140430 823 0    30 724 0      C-13-H3C(O)CH3
  198740.5542  0.0031 -4.4458 3  199.4600488 -59516140430 723 0    30 624 0      C-13-H3C(O)CH3
  198740.9600  0.0228 -5.4319 3  366.9513536  5951614043333 0 1    3332 1 1      C-13-H3C(O)CH3
  198747.3188  0.0123 -5.6482 3  236.6862236  595161404291910 3    291613 3      C-13-H3C(O)CH3
  198753.8738  0.0045 -4.5625 3  455.8723680  595161404421824 2    421725 2      C-13-H3C(O)CH3
  198753.8989  0.0045 -4.5625 3  455.8723680  595161404421924 2    421825 2      C-13-H3C(O)CH3
  198754.5908  0.0072 -5.6498 3  236.6865236  595161404291910 4    291613 4      C-13-H3C(O)CH3
  198761.7527  0.0041 -4.5625 3  455.8741680  595161404421824 1    421725 1      C-13-H3C(O)CH3
  198761.7768  0.0041 -4.5625 3  455.8741680  595161404421924 1    421825 1      C-13-H3C(O)CH3
  198782.5926  0.0046 -4.8633 3  455.8460340  595161404421824 4    421725 4      C-13-H3C(O)CH3
  198782.5956  0.0046 -4.8633 3  455.8461340  595161404421824 3    421725 3      C-13-H3C(O)CH3
  198782.6192  0.0046 -4.8633 3  455.8460340  595161404421924 4    421825 4      C-13-H3C(O)CH3
  198782.6224  0.0046 -4.8633 3  455.8461340  595161404421924 3    421825 3      C-13-H3C(O)CH3
  198797.2838  0.0258 -5.7324 3  366.9076268  5951614043333 0 4    3332 1 4      C-13-H3C(O)CH3
  198814.4036  0.0197 -6.2077 3  100.4885156  5951614041913 7 4    1814 4 4      C-13-H3C(O)CH3
  198815.8150  0.4000 -6.3249 3 1488.0110B76  595161404734628 2    734529 2      C-13-H3C(O)CH3
  198816.0922  0.0050 -4.7830 3  181.3660236  59516140429 623 4    29 524 4      C-13-H3C(O)CH3
  198816.0922  0.0050 -5.7741 3  181.3660236  59516140429 723 4    29 524 4      C-13-H3C(O)CH3
  198816.0922  0.0050 -5.7741 3  181.3660236  59516140429 623 4    29 624 4      C-13-H3C(O)CH3
  198816.0922  0.0050 -4.7830 3  181.3660236  59516140429 723 4    29 624 4      C-13-H3C(O)CH3
  198816.1935  0.0043 -4.9495 3  181.3659236  59516140429 723 3    29 524 3      C-13-H3C(O)CH3
  198816.1935  0.0043 -5.1591 3  181.3659236  59516140429 723 3    29 624 3      C-13-H3C(O)CH3
  198816.1935  0.0043 -4.9495 3  181.3659236  59516140429 623 3    29 624 3      C-13-H3C(O)CH3
  198816.1935  0.0043 -5.1591 3  181.3659236  59516140429 623 3    29 524 3      C-13-H3C(O)CH3
  198823.2457  0.0548 -5.6378 3  950.2159476  595161404593227 3    593128 3      C-13-H3C(O)CH3
  198823.5079  0.0549 -5.6378 3  950.2159476  595161404593227 4    593128 4      C-13-H3C(O)CH3
  198839.4526  0.0030 -3.9975 3   29.2988168 -5951614041010 1 0     9 9 0 0      C-13-H3C(O)CH3
  198842.0204  0.0030 -3.9975 3   29.2987168 -5951614041010 0 0     9 9 1 0      C-13-H3C(O)CH3
  198847.0868  0.0086 -5.3449 3  236.7144472  595161404291910 0    291613 0      C-13-H3C(O)CH3
  198850.2047  0.0943 -5.5605 3 1056.9581984  595161404614120 0    614021 0      C-13-H3C(O)CH3
  198873.8674  0.0065 -6.8527 3   58.3382124  59516140415 8 7 3    15 510 3      C-13-H3C(O)CH3
  198874.2454  0.0405 -5.3367 3  950.2072952  595161404593227 1    593128 1      C-13-H3C(O)CH3
  198876.1199  0.0185 -5.2724 3  655.0395380  595161404473611 4    473512 4      C-13-H3C(O)CH3
  198878.0792  0.0546 -5.3367 3  950.2082952  595161404593227 2    593128 2      C-13-H3C(O)CH3
  198893.5628  0.0153 -5.2723 3  655.0129380  595161404473612 3    473513 3      C-13-H3C(O)CH3
  198899.2236  0.0091 -5.3459 3  236.6951472  595161404291910 2    291613 2      C-13-H3C(O)CH3
  198900.9205  0.0144 -4.9714 3  655.0164760  595161404473611 2    473512 2      C-13-H3C(O)CH3
  198903.4302  0.0091 -6.8525 3   58.3383124  59516140415 8 7 4    15 510 4      C-13-H3C(O)CH3
  198909.0598  0.0070 -6.5773 3   15.3584 68  595161404 8 7 1 4     7 4 3 4      C-13-H3C(O)CH3
  198921.3893  0.0433 -5.6053 3  900.3188452  595161404563917 4    563818 4      C-13-H3C(O)CH3
  198928.2931  0.0400 -5.3366 3  950.1995952  595161404593227 0    593128 0      C-13-H3C(O)CH3
  198928.5319  0.0052 -6.1831 3   86.9514296  5951614041811 8 2    1712 6 2      C-13-H3C(O)CH3
  198936.0629  0.0070 -6.5462 3   58.2943248  59516140415 8 7 2    15 510 2      C-13-H3C(O)CH3
  198946.5300  0.0068 -4.8240 3  641.1619792  595161404492425 0    492326 0      C-13-H3C(O)CH3
  198950.5262  0.0068 -4.8239 3  641.1619792  595161404492525 0    492426 0      C-13-H3C(O)CH3
  198957.5437  0.1147 -5.5902 3 1057.0011984  595161404614120 1    614021 1      C-13-H3C(O)CH3
  198970.3651  0.0104 -4.8237 3  641.1482792  595161404492425 2    492326 2      C-13-H3C(O)CH3
  198974.6960  0.0104 -4.8237 3  641.1483792  595161404492525 2    492426 2      C-13-H3C(O)CH3
  198976.8778  0.0550 -5.3049 3  900.2627904  595161404563917 1    563818 1      C-13-H3C(O)CH3
  198977.1581  0.0075 -4.8237 3  641.1496792  595161404492425 1    492326 1      C-13-H3C(O)CH3
  198979.6264  0.2843 -6.3244 3 1488.0171B76  595161404734628 1    734529 1      C-13-H3C(O)CH3
  198981.4239  0.0075 -4.8237 3  641.1496792  595161404492525 1    492426 1      C-13-H3C(O)CH3
  198994.3531  0.0113 -5.3376 3   78.7245280  5951614041711 6 1    1612 5 1      C-13-H3C(O)CH3
  198999.2940  0.0445 -5.3044 3  900.2719904  595161404563917 2    563818 2      C-13-H3C(O)CH3
  199001.0418  0.0109 -5.1245 3  641.1359396  595161404492425 3    492326 3      C-13-H3C(O)CH3
  199001.1377  0.0110 -5.1245 3  641.1359396  595161404492425 4    492326 4      C-13-H3C(O)CH3
  199004.4518  0.0144 -4.9710 3  655.0026760  595161404473611 1    473512 1      C-13-H3C(O)CH3
  199005.6662  0.0108 -5.1245 3  641.1359396  595161404492525 3    492426 3      C-13-H3C(O)CH3
  199005.7442  0.0109 -5.1245 3  641.1359396  595161404492525 4    492426 4      C-13-H3C(O)CH3
  199009.6337  0.0134 -7.2202 3   59.7554232  5951614041413 2 1    1410 5 1      C-13-H3C(O)CH3
  199010.8565  0.0038 -4.8730 3  181.3510472 -59516140429 723 2    29 624 2      C-13-H3C(O)CH3
  199010.8565  0.0038 -4.8730 3  181.3510472 -59516140429 623 2    29 524 2      C-13-H3C(O)CH3
  199010.8719  0.0038 -4.6377 3  181.3510472  59516140429 723 2    29 524 2      C-13-H3C(O)CH3
  199010.8719  0.0038 -4.6377 3  181.3510472  59516140429 623 2    29 624 2      C-13-H3C(O)CH3
  199014.8616  0.0041 -4.5354 3  181.3517472 -59516140429 623 1    29 524 1      C-13-H3C(O)CH3
  199014.8616  0.0041 -4.5354 3  181.3517472 -59516140429 723 1    29 624 1      C-13-H3C(O)CH3
  199014.8701  0.0041 -5.1383 3  181.3517472  59516140429 723 1    29 524 1      C-13-H3C(O)CH3
  199014.8701  0.0041 -5.1383 3  181.3517472  59516140429 623 1    29 624 1      C-13-H3C(O)CH3
  199020.1186  0.0515 -5.3035 3  900.2171904  595161404563917 0    563818 0      C-13-H3C(O)CH3
  199020.9906  0.0133 -4.9709 3  654.9760760  595161404473612 1    473513 1      C-13-H3C(O)CH3
  199022.2136  0.1077 -5.5939 3 1057.0017984  595161404614120 2    614021 2      C-13-H3C(O)CH3
  199024.2809  0.1383 -6.9108 3 1057.0365492  595161404614121 3    614021 3      C-13-H3C(O)CH3
  199029.1368  0.0129 -4.9710 3  654.9794760  595161404473611 0    473512 0      C-13-H3C(O)CH3
  199029.2961  0.0129 -4.9710 3  654.9794760  595161404473612 0    473513 0      C-13-H3C(O)CH3
  199032.2987  0.1054 -5.8746 3 1057.0493492  595161404614120 4    614021 4      C-13-H3C(O)CH3
  199038.8916  0.0157 -5.2719 3  655.0148380  595161404473611 3    473512 3      C-13-H3C(O)CH3
  199055.1063  0.0148 -5.2718 3  654.9881380  595161404473612 4    473513 4      C-13-H3C(O)CH3
  199057.6342  0.0068 -6.5479 3   58.2954248  59516140415 8 7 1    15 510 1      C-13-H3C(O)CH3
  199061.1399  0.1883 -7.0306 3  900.2969452  595161404563918 3    563818 3      C-13-H3C(O)CH3
  199062.6808  0.0133 -4.9709 3  654.9917760  595161404473612 2    473513 2      C-13-H3C(O)CH3
  199078.3910  0.3798 -6.6254 3 1488.0309588  595161404734628 3    734529 3      C-13-H3C(O)CH3
  199088.1365  0.3604 -6.6251 3 1488.0310588  595161404734628 4    734529 4      C-13-H3C(O)CH3
  199096.3819  0.0513 -5.3032 3  900.2142904  595161404563918 0    563819 0      C-13-H3C(O)CH3
  199099.6977  1.5505 -7.1531 3 1918.2293D36  595161404835231 1    835132 1      C-13-H3C(O)CH3
  199105.7861  0.0065 -6.5424 3   58.2516248  59516140415 8 7 0    15 510 0      C-13-H3C(O)CH3
  199138.1066  0.0053 -6.0732 3   86.9468296  5951614041811 8 1    1712 6 1      C-13-H3C(O)CH3
  199150.1252  0.1591 -5.9013 3 1057.0365492  595161404614120 3    614021 3      C-13-H3C(O)CH3
  199160.0502  0.0412 -5.6208 3  900.2969452  595161404563917 3    563818 3      C-13-H3C(O)CH3
  199168.3640  0.4199 -6.5401 3 1605.8455C24  595161404764730 0    764631 0      C-13-H3C(O)CH3
  199183.6463  0.0058 -4.7774 3  163.8526228  59516140428 523 4    28 524 4      C-13-H3C(O)CH3
  199183.6463  0.0058 -4.7774 3  163.8526228  59516140428 623 4    28 424 4      C-13-H3C(O)CH3
  199183.6795  0.0049 -5.0053 3  163.8525228  59516140428 623 3    28 424 3      C-13-H3C(O)CH3
  199183.6795  0.0049 -5.0053 3  163.8525228  59516140428 523 3    28 524 3      C-13-H3C(O)CH3
  199183.6795  0.0049 -5.1662 3  163.8525228  59516140428 523 3    28 424 3      C-13-H3C(O)CH3
  199183.6795  0.0049 -5.1662 3  163.8525228  59516140428 623 3    28 524 3      C-13-H3C(O)CH3
  199200.2653  0.0154 -6.5482 3  105.5737312  5951614041915 5 1    1912 7 1      C-13-H3C(O)CH3
  199209.1497  0.0036 -4.5064 3  181.3369472  59516140429 623 0    29 524 0      C-13-H3C(O)CH3
  199209.1497  0.0036 -4.5064 3  181.3369472  59516140429 723 0    29 624 0      C-13-H3C(O)CH3
  199209.1497  0.0036 -5.2708 3  181.3369472  59516140429 723 0    29 524 0      C-13-H3C(O)CH3
  199209.1497  0.0036 -5.2708 3  181.3369472  59516140429 623 0    29 624 0      C-13-H3C(O)CH3
  199212.5705  0.4779 -6.5401 3 1605.8530C24  595161404764730 2    764631 2      C-13-H3C(O)CH3
  199229.8622  0.0513 -5.3040 3  900.2402904  595161404563918 1    563819 1      C-13-H3C(O)CH3
  199239.7717  0.0526 -5.6206 3  900.2909452  595161404563918 3    563819 3      C-13-H3C(O)CH3
  199251.0010  0.0130 -7.2370 3   59.7589232  5951614041413 2 2    1410 5 2      C-13-H3C(O)CH3
  199282.0704  0.0093 -6.3894 3  205.9637228  595161404281415 4    271512 4      C-13-H3C(O)CH3
  199295.3328  0.0091 -6.3894 3  205.9632228  595161404281415 3    271512 3      C-13-H3C(O)CH3
  199310.7658  0.0524 -5.3034 3  900.2442904  595161404563918 2    563819 2      C-13-H3C(O)CH3
  199318.8420  0.0077 -6.0877 3  205.9765456  595161404281415 1    271512 1      C-13-H3C(O)CH3
  199321.9532  0.0083 -7.0560 3   11.4222120  595161404 7 7 1 1     6 4 3 1      C-13-H3C(O)CH3
  199337.0142  0.0464 -5.6357 3  950.2186476  595161404593327 4    593228 4      C-13-H3C(O)CH3
  199337.3990  0.0461 -5.6357 3  950.2186476  595161404593327 3    593228 3      C-13-H3C(O)CH3
  199337.6778  0.0147 -5.1987 3  561.6100348  5951614044335 9 3    433410 3      C-13-H3C(O)CH3
  199338.6820  0.2052 -7.0293 3  900.2909452  595161404563917 3    563819 3      C-13-H3C(O)CH3
  199365.0015  0.0385 -5.3346 3  950.2097952  595161404593327 1    593228 1      C-13-H3C(O)CH3
  199365.1362  0.0452 -5.3346 3  950.2108952  595161404593327 2    593228 2      C-13-H3C(O)CH3
  199375.8598  0.0139 -5.1986 3  561.5887348  5951614044335 9 4    433410 4      C-13-H3C(O)CH3
  199392.6264  0.0129 -4.8978 3  561.6328696  5951614044335 8 2    4334 9 2      C-13-H3C(O)CH3
  199393.1412  0.0375 -5.3346 3  950.2019952  595161404593327 0    593228 0      C-13-H3C(O)CH3
  199409.6789  0.0048 -5.2369 3  163.8283456 -59516140428 523 2    28 524 2      C-13-H3C(O)CH3
  199409.6789  0.0048 -4.5574 3  163.8283456 -59516140428 623 2    28 524 2      C-13-H3C(O)CH3
  199409.6877  0.0048 -4.5574 3  163.8283456  59516140428 523 2    28 424 2      C-13-H3C(O)CH3
  199409.6877  0.0048 -5.2369 3  163.8283456  59516140428 623 2    28 424 2      C-13-H3C(O)CH3
  199412.9795  0.0051 -4.5233 3  163.8289456  59516140428 623 1    28 524 1      C-13-H3C(O)CH3
  199412.9795  0.0051 -4.5233 3  163.8289456  59516140428 523 1    28 424 1      C-13-H3C(O)CH3
  199412.9795  0.0051 -5.4527 3  163.8289456  59516140428 523 1    28 524 1      C-13-H3C(O)CH3
  199412.9795  0.0051 -5.4527 3  163.8289456  59516140428 623 1    28 424 1      C-13-H3C(O)CH3
  199428.3189  0.3816 -6.5394 3 1605.8556C24  595161404764730 1    764631 1      C-13-H3C(O)CH3
  199430.2577  0.0121 -4.8976 3  561.6116696  5951614044335 9 2    433410 2      C-13-H3C(O)CH3
  199433.0795  0.0164 -5.1985 3  561.6407348  5951614044335 8 4    4334 9 4      C-13-H3C(O)CH3
  199453.0738  0.0128 -4.8975 3  561.5933696  5951614044335 9 1    433410 1      C-13-H3C(O)CH3
  199469.1702  0.3891 -6.8404 3 1605.8631612  595161404764730 3    764631 3      C-13-H3C(O)CH3
  199472.0017  0.0147 -5.1984 3  561.6196348  5951614044335 8 3    4334 9 3      C-13-H3C(O)CH3
  199475.1798  0.3739 -6.8403 3 1605.8632612  595161404764730 4    764631 4      C-13-H3C(O)CH3
  199477.5849  0.0571 -5.6034 3  900.2690452  595161404563918 4    563819 4      C-13-H3C(O)CH3
  199485.3845  0.0087 -6.7905 3  354.4867300  595161404371621 4    361918 4      C-13-H3C(O)CH3
  199485.5599  0.0086 -6.7906 3  354.4867300  595161404371621 3    361918 3      C-13-H3C(O)CH3
  199488.0716  0.0907 -5.5578 3 1056.9335984  595161404614121 0    614022 0      C-13-H3C(O)CH3
  199490.7291  0.0086 -6.4898 3  354.5151600  595161404371621 1    361918 1      C-13-H3C(O)CH3
  199506.6575  0.0100 -7.0624 3   11.4220120  595161404 7 7 1 2     6 4 3 2      C-13-H3C(O)CH3
  199508.9072  0.0126 -4.8975 3  561.6161696  5951614044335 8 0    4334 9 0      C-13-H3C(O)CH3
  199508.9092  0.0126 -4.8975 3  561.6161696  5951614044335 9 0    433410 0      C-13-H3C(O)CH3
  199511.7632  0.0058 -5.6947 3  146.9333220  59516140427 523 3    27 324 3      C-13-H3C(O)CH3
  199511.7632  0.0058 -5.3025 3  146.9333220  59516140427 423 3    27 424 3      C-13-H3C(O)CH3
  199511.7632  0.0058 -6.2572 3  146.9333220  59516140427 523 3    27 424 3      C-13-H3C(O)CH3
  199511.7632  0.0058 -5.5796 3  146.9333220  59516140427 423 3    27 324 3      C-13-H3C(O)CH3
  199511.8211  0.0066 -4.8580 3  146.9333220  59516140427 423 4    27 324 4      C-13-H3C(O)CH3
  199511.8211  0.0066 -6.0776 3  146.9333220  59516140427 523 4    27 324 4      C-13-H3C(O)CH3
  199511.8211  0.0066 -4.8580 3  146.9333220  59516140427 523 4    27 424 4      C-13-H3C(O)CH3
  199511.8211  0.0066 -6.0776 3  146.9333220  59516140427 423 4    27 424 4      C-13-H3C(O)CH3
  199534.9553  0.0074 -6.0835 3  205.9656456  595161404281415 2    271512 2      C-13-H3C(O)CH3
  199543.3841  0.0087 -6.4871 3  354.5106600  595161404371621 2    361918 2      C-13-H3C(O)CH3
  199548.3038  0.0075 -6.4874 3  354.5390600  595161404371621 0    361918 0      C-13-H3C(O)CH3
  199549.7292  0.0134 -4.8973 3  561.6241696  5951614044335 8 1    4334 9 1      C-13-H3C(O)CH3
  199556.3489  0.0193 -6.8899 3  105.5919156  5951614041915 5 3    1912 7 3      C-13-H3C(O)CH3
  199561.9584  0.0064 -6.0829 3  205.9788456  595161404281415 0    271512 0      C-13-H3C(O)CH3
  199613.9372  0.0916 -5.5877 3 1056.9692984  595161404614121 1    614022 1      C-13-H3C(O)CH3
  199615.3181  0.0088 -6.7899 3  354.4824300  595161404371721 4    361818 4      C-13-H3C(O)CH3
  199615.7721  0.0087 -6.7899 3  354.4824300  595161404371721 3    361818 3      C-13-H3C(O)CH3
  199616.6327  0.0087 -6.4892 3  354.5109600  595161404371721 1    361818 1      C-13-H3C(O)CH3
  199636.5414  0.0932 -5.5915 3 1056.9687984  595161404614121 2    614022 2      C-13-H3C(O)CH3
  199638.5080  0.0045 -4.6818 3  163.8048456  59516140428 523 0    28 524 0      C-13-H3C(O)CH3
  199638.5080  0.0045 -4.8930 3  163.8048456  59516140428 523 0    28 424 0      C-13-H3C(O)CH3
  199638.5080  0.0045 -4.8930 3  163.8048456  59516140428 623 0    28 524 0      C-13-H3C(O)CH3
  199638.5080  0.0045 -4.6818 3  163.8048456  59516140428 623 0    28 424 0      C-13-H3C(O)CH3
  199642.3036  0.0143 -5.6622 3   89.3309148  5951614041812 6 4    1713 4 4      C-13-H3C(O)CH3
  199673.3635  0.0087 -6.4865 3  354.5063600  595161404371721 2    361818 2      C-13-H3C(O)CH3
  199674.0187  0.0075 -6.4868 3  354.5348600  595161404371721 0    361818 0      C-13-H3C(O)CH3
  199718.2498  0.0178 -5.2299 3  457.9335308  5951614043834 5 4    3833 6 4      C-13-H3C(O)CH3
  199739.8626  0.1166 -5.8988 3 1057.0127492  595161404614121 3    614022 3      C-13-H3C(O)CH3
  199750.2749  0.0202 -5.3624 3  732.1208404  595161404503713 4    503614 4      C-13-H3C(O)CH3
  199766.9190  0.0082 -6.0569 3   86.9456148  5951614041811 8 4    1712 6 4      C-13-H3C(O)CH3
  199770.6922  0.0062 -4.5342 3  146.8988440  59516140427 423 2    27 424 2      C-13-H3C(O)CH3
  199770.6922  0.0062 -4.5342 3  146.8988440  59516140427 523 2    27 324 2      C-13-H3C(O)CH3
  199770.7064  0.0062 -6.5344 3  146.8988440 -59516140427 423 2    27 324 2      C-13-H3C(O)CH3
  199770.7064  0.0062 -6.5344 3  146.8988440 -59516140427 523 2    27 424 2      C-13-H3C(O)CH3
  199773.2376  0.0065 -6.2743 3  146.8994440  59516140427 423 1    27 424 1      C-13-H3C(O)CH3
  199773.2376  0.0065 -6.2743 3  146.8994440  59516140427 523 1    27 324 1      C-13-H3C(O)CH3
  199773.2376  0.0065 -4.5380 3  146.8994440  59516140427 523 1    27 424 1      C-13-H3C(O)CH3
  199773.2376  0.0065 -4.5380 3  146.8994440  59516140427 423 1    27 324 1      C-13-H3C(O)CH3
  199792.0890  0.0135 -4.9289 3  457.9831616  5951614043834 5 2    3833 6 2      C-13-H3C(O)CH3
  199803.4918  0.0068 -4.9192 3  130.6093212  59516140426 423 3    26 224 3      C-13-H3C(O)CH3
  199803.4918  0.0068 -4.9192 3  130.6093212  59516140426 323 3    26 324 3      C-13-H3C(O)CH3
  199803.4918  0.0068 -7.1651 3  130.6093212  59516140426 323 3    26 224 3      C-13-H3C(O)CH3
  199803.4918  0.0068 -7.1651 3  130.6093212  59516140426 423 3    26 324 3      C-13-H3C(O)CH3
  199803.6661  0.0076 -6.7943 3  130.6093212  59516140426 323 4    26 324 4      C-13-H3C(O)CH3
  199803.6661  0.0076 -4.9225 3  130.6093212  59516140426 323 4    26 224 4      C-13-H3C(O)CH3
  199803.6661  0.0076 -6.7943 3  130.6093212  59516140426 423 4    26 224 4      C-13-H3C(O)CH3
  199803.6661  0.0076 -4.9225 3  130.6093212  59516140426 423 4    26 324 4      C-13-H3C(O)CH3
  199805.8609  0.0152 -6.5448 3  105.5658312  5951614041915 5 2    1912 7 2      C-13-H3C(O)CH3
  199808.4568  0.0175 -5.0612 3  732.0877808  595161404503713 2    503614 2      C-13-H3C(O)CH3
  199815.6685  0.0184 -6.7484 3  105.5919156  5951614041915 4 3    1912 7 3      C-13-H3C(O)CH3
  199821.3169  0.0260 -5.4737 3  813.8711428  595161404533815 4    533716 4      C-13-H3C(O)CH3
  199847.2329  0.0171 -5.3621 3  732.0964404  595161404503714 3    503614 3      C-13-H3C(O)CH3
  199848.0410  0.0213 -6.6868 3  183.2733392  5951614042422 3 0    2323 0 0      C-13-H3C(O)CH3
  199848.0412  0.0213 -6.6868 3  183.2733392  5951614042422 2 0    2323 1 0      C-13-H3C(O)CH3
  199857.3735  0.1232 -5.8716 3 1057.0001492  595161404614121 4    614022 4      C-13-H3C(O)CH3
  199859.2729  0.0033 -6.3216 3   10.0331 68  595161404 8 2 6 3     7 1 7 3      C-13-H3C(O)CH3
  199859.5758  0.0041 -6.3216 3   10.0331 68  595161404 8 2 6 4     7 1 7 4      C-13-H3C(O)CH3
  199865.7069  0.1805 -6.9073 3 1057.0127492  595161404614120 3    614022 3      C-13-H3C(O)CH3
  199866.9152  0.0161 -5.2294 3  457.9539308  5951614043834 5 3    3833 6 3      C-13-H3C(O)CH3
  199868.0420  0.0035 -4.5293 3  430.7606664  595161404411724 0    411625 0      C-13-H3C(O)CH3
  199868.0487  0.0035 -4.5293 3  430.7606664  595161404411824 0    411725 0      C-13-H3C(O)CH3
  199870.7132  0.0186 -5.0609 3  732.0734808  595161404503713 1    503614 1      C-13-H3C(O)CH3
  199882.3860  0.0041 -4.5291 3  430.7317664  595161404411724 2    411625 2      C-13-H3C(O)CH3
  199882.3934  0.0041 -4.5291 3  430.7317664  595161404411824 2    411725 2      C-13-H3C(O)CH3
  199889.3827  0.0041 -6.3215 3   10.0331 68  595161404 8 3 6 4     7 0 7 4      C-13-H3C(O)CH3
  199889.5266  0.0033 -6.3215 3   10.0331 68  595161404 8 3 6 3     7 0 7 3      C-13-H3C(O)CH3
  199890.0782  0.0039 -4.5291 3  430.7335664  595161404411724 1    411625 1      C-13-H3C(O)CH3
  199890.0853  0.0039 -4.5291 3  430.7335664  595161404411824 1    411725 1      C-13-H3C(O)CH3
  199899.6464  0.0267 -5.1724 3  813.8299856  595161404533815 2    533716 2      C-13-H3C(O)CH3
  199904.4432  0.0043 -4.8300 3  430.7046332  595161404411724 4    411625 4      C-13-H3C(O)CH3
  199904.4510  0.0043 -4.8300 3  430.7046332  595161404411824 4    411725 4      C-13-H3C(O)CH3
  199904.4742  0.0043 -4.8300 3  430.7046332  595161404411724 3    411625 3      C-13-H3C(O)CH3
  199904.4821  0.0043 -4.8300 3  430.7046332  595161404411824 3    411725 3      C-13-H3C(O)CH3
  199904.5567  0.0053 -5.9431 3  180.4577424  595161404261313 2    251610 2      C-13-H3C(O)CH3
  199914.4118  0.0144 -4.9285 3  457.9676616  5951614043834 5 1    3833 6 1      C-13-H3C(O)CH3
  199914.9366  0.2405 -6.7299 3 1056.9692984  595161404614120 1    614022 1      C-13-H3C(O)CH3
  199918.2224  0.0317 -5.1723 3  813.8171856  595161404533815 1    533716 1      C-13-H3C(O)CH3
  199926.9046  0.0052 -5.9418 3  180.4660424  595161404261313 0    251610 0      C-13-H3C(O)CH3
  199928.1693  0.0181 -5.0608 3  732.0403808  595161404503713 0    503614 0      C-13-H3C(O)CH3
  199929.6839  0.0181 -5.0608 3  732.0402808  595161404503714 0    503615 0      C-13-H3C(O)CH3
  199941.0582  0.0157 -5.2293 3  457.9731308  5951614043834 4 3    3833 5 3      C-13-H3C(O)CH3
  199942.3046  0.0129 -4.9285 3  458.0034616  5951614043834 4 2    3833 5 2      C-13-H3C(O)CH3
  199947.2438  0.0126 -5.7095 3  100.4513312  5951614041913 7 1    1814 4 1      C-13-H3C(O)CH3
  199948.5445  0.1705 -5.9804 3 1299.7393A96  595161404684425 0    684326 0      C-13-H3C(O)CH3
  199955.2799  0.0053 -6.2465 3  180.4520212  595161404261313 3    251610 3      C-13-H3C(O)CH3
  199967.1189  0.0193 -5.0606 3  732.0491808  595161404503714 1    503615 1      C-13-H3C(O)CH3
  199971.1209  0.0119 -5.6653 3  100.4533312  5951614041913 7 2    1814 4 2      C-13-H3C(O)CH3
  199979.3026  0.0179 -5.3617 3  732.0945404  595161404503713 3    503615 3      C-13-H3C(O)CH3
  199990.1787  0.0130 -4.9286 3  458.0172616  5951614043834 5 0    3833 6 0      C-13-H3C(O)CH3
  199990.1787  0.0130 -4.9286 3  458.0172616  5951614043834 4 0    3833 5 0      C-13-H3C(O)CH3
  199990.7628  0.0315 -5.1720 3  813.7761856  595161404533815 0    533716 0      C-13-H3C(O)CH3
  199996.1474  0.0228 -5.4734 3  813.8483428  595161404533815 3    533716 3      C-13-H3C(O)CH3
  200002.5301  0.0315 -5.1720 3  813.7757856  595161404533816 0    533717 0      C-13-H3C(O)CH3
  200003.5953  0.0055 -5.9445 3  180.4594424  595161404261313 1    251610 1      C-13-H3C(O)CH3
  200011.4971  0.3288 -6.6794 3 1056.9687984  595161404614120 2    614022 2      C-13-H3C(O)CH3
  200012.2404  0.0050 -6.2472 3  180.4502212  595161404261313 4    251610 4      C-13-H3C(O)CH3
  200031.5860  0.0058 -4.8201 3  146.8650440 -59516140427 523 0    27 424 0      C-13-H3C(O)CH3
  200031.5860  0.0058 -4.8201 3  146.8650440 -59516140427 423 0    27 324 0      C-13-H3C(O)CH3
  200031.5966  0.0058 -4.8391 3  146.8650440  59516140427 523 0    27 324 0      C-13-H3C(O)CH3
  200031.5966  0.0058 -4.8391 3  146.8650440  59516140427 423 0    27 424 0      C-13-H3C(O)CH3
  200036.7795  0.0178 -5.0604 3  732.0614808  595161404503714 2    503615 2      C-13-H3C(O)CH3
  200043.6995  0.0109 -5.4529 3   89.2875296  5951614041812 6 2    1713 4 2      C-13-H3C(O)CH3
  200052.0555  0.0208 -6.6864 3  183.1904392  5951614042422 3 1    2323 1 1      C-13-H3C(O)CH3
  200061.7287  0.0079 -5.1456 3  114.8817204  59516140425 223 3    25 124 3      C-13-H3C(O)CH3
  200061.7287  0.0079 -5.7691 3  114.8817204  59516140425 223 3    25 224 3      C-13-H3C(O)CH3
  200061.7287  0.0079 -5.7691 3  114.8817204  59516140425 323 3    25 124 3      C-13-H3C(O)CH3
  200061.7287  0.0079 -5.1456 3  114.8817204  59516140425 323 3    25 224 3      C-13-H3C(O)CH3
  200062.0468  0.0088 -5.0529 3  114.8817204  59516140425 223 4    25 224 4      C-13-H3C(O)CH3
  200062.0468  0.0088 -5.0529 3  114.8817204  59516140425 323 4    25 124 4      C-13-H3C(O)CH3
  200074.6407  0.0246 -7.1436 3  382.7131600  595161404372314 0    362611 0      C-13-H3C(O)CH3
  200075.0070  0.0197 -5.3612 3  732.0702404  595161404503714 4    503615 4      C-13-H3C(O)CH3
  200080.9543  0.0044 -6.0189 3    9.9586136  595161404 8 2 6 2     7 1 7 2      C-13-H3C(O)CH3
  200085.0855  0.0043 -6.0191 3    9.9591136  595161404 8 2 6 1     7 1 7 1      C-13-H3C(O)CH3
  200090.4114  0.0153 -5.2289 3  457.9933308  5951614043834 4 4    3833 5 4      C-13-H3C(O)CH3
  200093.2435  0.0323 -5.1717 3  813.7944856  595161404533816 1    533717 1      C-13-H3C(O)CH3
  200096.7798  0.0080 -4.7111 3  130.5637424  59516140426 323 2    26 224 2      C-13-H3C(O)CH3
  200096.7798  0.0080 -5.3117 3  130.5637424  59516140426 323 2    26 324 2      C-13-H3C(O)CH3
  200096.7798  0.0080 -4.7111 3  130.5637424  59516140426 423 2    26 324 2      C-13-H3C(O)CH3
  200096.7798  0.0080 -5.3117 3  130.5637424  59516140426 423 2    26 224 2      C-13-H3C(O)CH3
  200098.5432  0.0083 -5.4718 3  130.5642424  59516140426 323 1    26 224 1      C-13-H3C(O)CH3
  200098.5432  0.0083 -4.6790 3  130.5642424  59516140426 423 1    26 224 1      C-13-H3C(O)CH3
  200098.5432  0.0083 -5.4718 3  130.5642424  59516140426 423 1    26 324 1      C-13-H3C(O)CH3
  200098.5432  0.0083 -4.6790 3  130.5642424  59516140426 323 1    26 324 1      C-13-H3C(O)CH3
  200100.1673  0.0278 -5.4731 3  813.8438428  595161404533816 3    533717 3      C-13-H3C(O)CH3
  200112.0955  0.0044 -6.0188 3    9.9586136  595161404 8 3 6 2     7 0 7 2      C-13-H3C(O)CH3
  200112.4574  0.0230 -5.0569 3  788.6347872  595161404542826 2    542727 2      C-13-H3C(O)CH3
  200113.1656  0.0237 -5.3578 3  788.6341436  595161404542826 3    542727 3      C-13-H3C(O)CH3
  200113.2854  0.0238 -5.3578 3  788.6341436  595161404542826 4    542727 4      C-13-H3C(O)CH3
  200114.1429  0.2226 -5.9799 3 1299.7654A96  595161404684425 2    684326 2      C-13-H3C(O)CH3
  200115.6469  0.0157 -5.0570 3  788.6355872  595161404542826 0    542727 0      C-13-H3C(O)CH3
  200115.6765  0.0043 -6.0190 3    9.9591136  595161404 8 3 6 1     7 0 7 1      C-13-H3C(O)CH3
  200116.4843  0.0167 -5.0569 3  788.6350872  595161404542826 1    542727 1      C-13-H3C(O)CH3
  200131.8198  0.0729 -5.8771 3 1088.1591508  595161404633628 4    633529 4      C-13-H3C(O)CH3
  200132.5785  0.0723 -5.8771 3 1088.1591508  595161404633628 3    633529 3      C-13-H3C(O)CH3
  200138.9777  0.0129 -4.9279 3  458.0071616  5951614043834 4 1    3833 5 1      C-13-H3C(O)CH3
  200163.1071  0.1694 -5.9807 3 1299.7715A96  595161404684425 1    684326 1      C-13-H3C(O)CH3
  200165.3380  0.0156 -5.0568 3  788.6357872  595161404542926 0    542827 0      C-13-H3C(O)CH3
  200165.4552  0.0222 -5.0567 3  788.6349872  595161404542926 2    542827 2      C-13-H3C(O)CH3
  200168.5221  0.0685 -5.5760 3 1088.1460A16  595161404633628 1    633529 1      C-13-H3C(O)CH3
  200169.3917  0.0167 -5.0567 3  788.6352872  595161404542926 1    542827 1      C-13-H3C(O)CH3
  200169.5811  0.0231 -5.3576 3  788.6344436  595161404542926 4    542827 4      C-13-H3C(O)CH3
  200169.5988  0.0230 -5.3576 3  788.6344436  595161404542926 3    542827 3      C-13-H3C(O)CH3
  200170.0645  0.0718 -5.5760 3 1088.1483A16  595161404633628 2    633529 2      C-13-H3C(O)CH3
  200177.9609  0.0293 -5.1715 3  813.8026856  595161404533816 2    533717 2      C-13-H3C(O)CH3
  200186.0710  0.0110 -5.4310 3   89.2871296  5951614041812 6 1    1713 4 1      C-13-H3C(O)CH3
  200199.4939  0.0149 -5.7135 3   78.7135140  5951614041711 6 4    1612 5 4      C-13-H3C(O)CH3
  200206.8539  0.0680 -5.5759 3 1088.1353A16  595161404633628 0    633529 0      C-13-H3C(O)CH3
  200227.6178  0.1023 -6.1427 3 1234.9665540  595161404673929 4    673830 4      C-13-H3C(O)CH3
  200228.6556  0.1014 -6.1427 3 1234.9665540  595161404673929 3    673830 3      C-13-H3C(O)CH3
  200233.1345  0.0015 -4.4532 3   54.2650124 -59516140415 6 9 3    14 7 8 3      C-13-H3C(O)CH3
  200234.9987  0.0016 -4.4532 3   54.2650124 -59516140415 6 9 4    14 7 8 4      C-13-H3C(O)CH3
  200247.6800  0.1045 -5.8416 3 1234.9562A80  595161404673929 2    673830 2      C-13-H3C(O)CH3
  200255.4313  0.1153 -5.8415 3 1234.9526A80  595161404673929 1    673830 1      C-13-H3C(O)CH3
  200257.0865  0.0193 -6.6839 3  183.2392392  5951614042422 2 2    2323 0 2      C-13-H3C(O)CH3
  200273.8797  0.0316 -5.4721 3  813.8211428  595161404533816 4    533717 4      C-13-H3C(O)CH3
  200274.4057  0.0213 -6.6847 3  183.1920392  5951614042422 3 2    2323 1 2      C-13-H3C(O)CH3
  200275.6726  0.1166 -5.8415 3 1234.9423A80  595161404673929 0    673830 0      C-13-H3C(O)CH3
  200278.4332  0.0208 -6.6845 3  183.2205392  5951614042422 2 1    2323 0 1      C-13-H3C(O)CH3
  200278.6659  0.1487 -6.1286 3 1390.5826B44  595161404714230 2    714131 2      C-13-H3C(O)CH3
  200282.6259  0.3846 -6.5204 3 1599.1648C24  595161404764631 0    764532 0      C-13-H3C(O)CH3
  200284.0847  0.1950 -6.1286 3 1390.5707B44  595161404714230 0    714131 0      C-13-H3C(O)CH3
  200289.1717  0.0093 -5.3179 3   99.7514196  59516140424 123 3    24 024 3      C-13-H3C(O)CH3
  200289.1717  0.0093 -5.3179 3   99.7514196  59516140424 223 3    24 124 3      C-13-H3C(O)CH3
  200289.6629  0.0102 -5.3222 3   99.7514196  59516140424 223 4    24 024 4      C-13-H3C(O)CH3
  200289.6629  0.0102 -7.0911 3   99.7514196  59516140424 223 4    24 124 4      C-13-H3C(O)CH3
  200289.6629  0.0102 -5.3222 3   99.7514196  59516140424 123 4    24 124 4      C-13-H3C(O)CH3
  200289.6629  0.0102 -7.0911 3   99.7514196  59516140424 123 4    24 024 4      C-13-H3C(O)CH3
  200300.4090  0.3312 -6.5204 3 1599.1717C24  595161404764631 2    764532 2      C-13-H3C(O)CH3
  200306.2459  0.0047 -6.0174 3    9.8848136  595161404 8 2 6 0     7 1 7 0      C-13-H3C(O)CH3
  200315.0511  0.1241 -6.4295 3 1390.5902572  595161404714230 4    714131 4      C-13-H3C(O)CH3
  200315.8474  0.1237 -6.4295 3 1390.5902572  595161404714230 3    714131 3      C-13-H3C(O)CH3
  200317.0144  0.0016 -4.1521 3   54.2227248 -59516140415 6 9 1    14 7 8 1      C-13-H3C(O)CH3
  200317.0144  0.0016 -4.1525 3   54.2211248 -59516140415 6 9 2    14 7 8 2      C-13-H3C(O)CH3
  200318.3132  0.2433 -6.2815 3 1299.7981548  595161404684425 3    684326 3      C-13-H3C(O)CH3
  200320.3267  0.1869 -6.1285 3 1390.5783B44  595161404714230 1    714131 1      C-13-H3C(O)CH3
  200337.6332  0.2170 -6.2810 3 1299.7973548  595161404684425 4    684326 4      C-13-H3C(O)CH3
  200337.9482  0.0047 -6.0173 3    9.8848136  595161404 8 3 6 0     7 0 7 0      C-13-H3C(O)CH3
  200348.7365  0.0038 -4.6871 3   36.7599100 -59516140412 8 5 4    11 7 4 4      C-13-H3C(O)CH3
  200390.6460  0.0102 -5.7511 3  114.8240408  59516140425 223 2    25 124 2      C-13-H3C(O)CH3
  200390.6460  0.0102 -4.7955 3  114.8240408  59516140425 223 2    25 224 2      C-13-H3C(O)CH3
  200390.6460  0.0102 -5.7511 3  114.8240408  59516140425 323 2    25 224 2      C-13-H3C(O)CH3
  200390.6460  0.0102 -4.7955 3  114.8240408  59516140425 323 2    25 124 2      C-13-H3C(O)CH3
  200391.1614  0.0075 -6.2052 3  130.5186424  59516140426 423 0    26 224 0      C-13-H3C(O)CH3
  200391.1614  0.0075 -6.2052 3  130.5186424  59516140426 323 0    26 324 0      C-13-H3C(O)CH3
  200391.2168  0.0075 -4.6235 3  130.5186424 -59516140426 323 0    26 224 0      C-13-H3C(O)CH3
  200391.2168  0.0075 -4.6235 3  130.5186424 -59516140426 423 0    26 324 0      C-13-H3C(O)CH3
  200391.5969  0.0105 -4.8286 3  114.8244408  59516140425 223 1    25 224 1      C-13-H3C(O)CH3
  200391.5969  0.0105 -5.5315 3  114.8244408  59516140425 223 1    25 124 1      C-13-H3C(O)CH3
  200391.5969  0.0105 -5.5315 3  114.8244408  59516140425 323 1    25 224 1      C-13-H3C(O)CH3
  200391.5969  0.0105 -4.8286 3  114.8244408  59516140425 323 1    25 124 1      C-13-H3C(O)CH3
  200399.8265  0.0016 -4.1524 3   54.1790248 -59516140415 6 9 0    14 7 8 0      C-13-H3C(O)CH3
  200438.1669  0.0197 -7.2324 3  374.0688300  595161404372117 4    362412 4      C-13-H3C(O)CH3
  200456.4211  0.3482 -6.5199 3 1599.1691C24  595161404764631 1    764532 1      C-13-H3C(O)CH3
  200457.4612  0.0206 -6.9846 3  183.1564196  5951614042422 2 3    2323 0 3      C-13-H3C(O)CH3
  200472.5575  0.0171 -7.2254 3  374.0677300  595161404372117 3    362412 3      C-13-H3C(O)CH3
  200472.6454  0.0175 -6.9248 3  374.0903600  595161404372117 2    362412 2      C-13-H3C(O)CH3
  200473.0797  0.2113 -6.8209 3 1599.1760612  595161404764631 3    764532 3      C-13-H3C(O)CH3
  200474.7710  0.2037 -6.8209 3 1599.1760612  595161404764631 4    764532 4      C-13-H3C(O)CH3
  200474.8710  0.0206 -6.9854 3  183.1093196  5951614042422 3 4    2323 1 4      C-13-H3C(O)CH3
  200513.4655  0.0142 -7.2741 3  562.1292380  595161404471928 4    462225 4      C-13-H3C(O)CH3
  200513.5602  0.0141 -7.2741 3  562.1292380  595161404471928 3    462225 3      C-13-H3C(O)CH3
  200513.6779  0.0142 -7.2741 3  562.1292380  595161404472028 4    462125 4      C-13-H3C(O)CH3
  200513.7739  0.0141 -7.2741 3  562.1292380  595161404472028 3    462125 3      C-13-H3C(O)CH3
  200518.2923  0.0029 -5.1201 3   30.9791 92  59516140411 8 4 4    10 7 4 4      C-13-H3C(O)CH3
  200548.3647  0.0130 -6.9738 3  562.1498760  595161404471928 1    462225 1      C-13-H3C(O)CH3
  200548.5576  0.0130 -6.9738 3  562.1498760  595161404472028 1    462125 1      C-13-H3C(O)CH3
  200565.5552  0.0142 -6.9720 3  562.1480760  595161404471928 2    462225 2      C-13-H3C(O)CH3
  200565.7532  0.0142 -6.9720 3  562.1480760  595161404472028 2    462125 2      C-13-H3C(O)CH3
  200600.2497  0.0108 -6.9730 3  562.1685760  595161404471928 0    462225 0      C-13-H3C(O)CH3
  200600.4284  0.0108 -6.9730 3  562.1685760  595161404472028 0    462125 0      C-13-H3C(O)CH3
  200611.7153  0.0040 -4.6692 3   36.7572100 -59516140412 8 5 3    11 7 4 3      C-13-H3C(O)CH3
  200611.8813  0.0164 -6.1439 3  163.5243376  5951614042320 4 0    2221 1 0      C-13-H3C(O)CH3
  200611.9042  0.0164 -6.1439 3  163.5243376  5951614042320 3 0    2221 2 0      C-13-H3C(O)CH3
  200622.8752  0.3972 -7.3263 3 1124.7192508  595161404634222 4    634122 4      C-13-H3C(O)CH3
  200645.0925  0.0015 -4.4510 3   54.2539124 -59516140415 7 9 4    14 6 8 4      C-13-H3C(O)CH3
  200647.6430  0.0015 -4.4510 3   54.2538124 -59516140415 7 9 3    14 6 8 3      C-13-H3C(O)CH3
  200654.8062  0.0128 -7.1945 3   99.6808392  59516140424 223 2    24 124 2      C-13-H3C(O)CH3
  200654.8062  0.0128 -5.0145 3   99.6808392  59516140424 123 2    24 124 2      C-13-H3C(O)CH3
  200654.8062  0.0128 -7.1945 3   99.6808392  59516140424 123 2    24 024 2      C-13-H3C(O)CH3
  200654.8062  0.0128 -5.0145 3   99.6808392  59516140424 223 2    24 024 2      C-13-H3C(O)CH3
  200654.9201  0.0131 -5.5004 3   99.6812392  59516140424 123 1    24 124 1      C-13-H3C(O)CH3
  200654.9201  0.0131 -5.1824 3   99.6812392  59516140424 223 1    24 124 1      C-13-H3C(O)CH3
  200654.9201  0.0131 -5.5004 3   99.6812392  59516140424 223 1    24 024 1      C-13-H3C(O)CH3
  200654.9201  0.0131 -5.1824 3   99.6812392  59516140424 123 1    24 024 1      C-13-H3C(O)CH3
  200677.2359  0.4448 -6.6046 3 1643.8847C40  595161404774731 0    774632 0      C-13-H3C(O)CH3
  200683.8659  0.0231 -6.9826 3  183.1865196  5951614042422 2 4    2323 0 4      C-13-H3C(O)CH3
  200695.5815  0.4321 -6.6046 3 1643.8904C40  595161404774731 2    774632 2      C-13-H3C(O)CH3
  200700.6239  0.0198 -6.9835 3  183.1394196  5951614042422 3 3    2323 1 3      C-13-H3C(O)CH3
  200710.2611  0.2077 -7.0652 3 1124.6767A16  595161404634222 1    634122 1      C-13-H3C(O)CH3
  200718.2366  0.0059 -4.7743 3  612.0004776  595161404482325 0    482226 0      C-13-H3C(O)CH3
  200719.6737  0.0059 -4.7743 3  612.0004776  595161404482425 0    482326 0      C-13-H3C(O)CH3
  200719.7341  0.0097 -4.8137 3  114.7668408  59516140425 323 0    25 224 0      C-13-H3C(O)CH3
  200719.7341  0.0097 -5.6010 3  114.7668408  59516140425 223 0    25 224 0      C-13-H3C(O)CH3
  200719.7341  0.0097 -5.6010 3  114.7668408  59516140425 323 0    25 124 0      C-13-H3C(O)CH3
  200719.7341  0.0097 -4.8137 3  114.7668408  59516140425 223 0    25 124 0      C-13-H3C(O)CH3
  200730.7193  0.2258 -6.8631 3 1124.6743A16  595161404634222 2    634122 2      C-13-H3C(O)CH3
  200736.1065  0.0016 -4.1499 3   54.2114248 -59516140415 7 9 1    14 6 8 1      C-13-H3C(O)CH3
  200745.3928  0.0016 -4.1502 3   54.2096248 -59516140415 7 9 2    14 6 8 2      C-13-H3C(O)CH3
  200746.7249  0.0088 -4.7740 3  611.9840776  595161404482325 2    482226 2      C-13-H3C(O)CH3
  200748.2924  0.0088 -4.7740 3  611.9841776  595161404482425 2    482326 2      C-13-H3C(O)CH3
  200753.4037  0.0065 -4.7740 3  611.9855776  595161404482325 1    482226 1      C-13-H3C(O)CH3
  200754.9426  0.0065 -4.7740 3  611.9855776  595161404482425 1    482326 1      C-13-H3C(O)CH3
  200766.4549  0.0041 -4.3718 3   36.7057200 -59516140412 8 5 1    11 7 4 1      C-13-H3C(O)CH3
  200772.3228  0.0073 -6.8002 3   11.3559120  595161404 7 7 0 0     6 4 3 0      C-13-H3C(O)CH3
  200781.9572  0.0092 -5.0748 3  611.9691388  595161404482325 3    482226 3      C-13-H3C(O)CH3
  200782.0456  0.0093 -5.0748 3  611.9690388  595161404482325 4    482226 4      C-13-H3C(O)CH3
  200783.6364  0.0092 -5.0748 3  611.9691388  595161404482425 3    482326 3      C-13-H3C(O)CH3
  200783.7173  0.0092 -5.0748 3  611.9690388  595161404482425 4    482326 4      C-13-H3C(O)CH3
  200808.0446  0.0139 -6.9125 3  374.0848600  595161404372117 1    362412 1      C-13-H3C(O)CH3
  200816.6571  0.0065 -5.2236 3  100.4177312  5951614041913 7 0    1814 4 0      C-13-H3C(O)CH3
  200831.9599  0.0131 -6.9088 3  374.1066600  595161404372117 0    362412 0      C-13-H3C(O)CH3
  200834.8301  0.0016 -4.1500 3   54.1673248 -59516140415 7 9 0    14 6 8 0      C-13-H3C(O)CH3
  200840.0745  0.1173 -5.6717 3 1124.6352A16  595161404634221 0    634122 0      C-13-H3C(O)CH3
  200840.8674  0.0084 -5.1638 3   89.2395296  5951614041812 6 0    1713 5 0      C-13-H3C(O)CH3
  200853.2419  0.0120 -7.1108 3   59.7338232  5951614041413 2 0    1410 5 0      C-13-H3C(O)CH3
  200875.0263  0.0047 -4.3697 3   36.7021200 -59516140412 8 5 2    11 7 4 2      C-13-H3C(O)CH3
  200895.2289  0.3998 -6.6039 3 1643.8899C40  595161404774731 1    774632 1      C-13-H3C(O)CH3
  200897.5645  0.0019 -7.3066 3   30.9891 92  59516140411 8 4 3    10 7 4 3      C-13-H3C(O)CH3
  200906.5258  0.0161 -6.1429 3  163.4440376  5951614042320 4 1    2221 2 1      C-13-H3C(O)CH3
  200911.4151  0.3025 -6.9050 3 1643.8956620  595161404774731 3    774632 3      C-13-H3C(O)CH3
  200912.2031  0.0033 -4.4987 3  406.1958648 -595161404401624 0    401525 0      C-13-H3C(O)CH3
  200912.2031  0.0033 -4.4987 3  406.1958648 -595161404401724 0    401625 0      C-13-H3C(O)CH3
  200914.8994  0.2920 -6.9049 3 1643.8956620  595161404774731 4    774632 4      C-13-H3C(O)CH3
  200918.0630  0.0038 -4.4986 3  406.1667648 -595161404401724 2    401625 2      C-13-H3C(O)CH3
  200918.0630  0.0038 -4.4986 3  406.1667648 -595161404401624 2    401525 2      C-13-H3C(O)CH3
  200919.5877  0.0147 -6.1414 3  163.5093376  5951614042320 3 2    2221 1 2      C-13-H3C(O)CH3
  200925.5232  0.0038 -4.4986 3  406.1684648 -595161404401724 1    401625 1      C-13-H3C(O)CH3
  200925.5232  0.0038 -4.4986 3  406.1684648 -595161404401624 1    401525 1      C-13-H3C(O)CH3
  200931.3974  0.0040 -4.7995 3  406.1392324 -595161404401724 3    401625 3      C-13-H3C(O)CH3
  200931.3974  0.0040 -4.7995 3  406.1392324 -595161404401724 4    401625 4      C-13-H3C(O)CH3
  200931.3974  0.0040 -4.7995 3  406.1392324 -595161404401624 4    401525 4      C-13-H3C(O)CH3
  200931.3974  0.0040 -4.7995 3  406.1392324 -595161404401624 3    401525 3      C-13-H3C(O)CH3
  200938.8539  0.0027 -5.2213 3   30.9344184  59516140411 8 4 1    10 7 4 1      C-13-H3C(O)CH3
  200957.1903  0.1410 -5.6893 3 1124.6767A16  595161404634221 1    634122 1      C-13-H3C(O)CH3
  200986.3255  0.0029 -5.3076 3   30.9352184  59516140411 8 4 2    10 7 4 2      C-13-H3C(O)CH3
  200993.2104  0.0155 -5.7431 3  222.2660228  5951614042819 9 3    281612 3      C-13-H3C(O)CH3
  201008.2328  0.1588 -5.7001 3 1124.6743A16  595161404634221 2    634122 2      C-13-H3C(O)CH3
  201011.9795  0.0200 -5.2814 3  440.0268300  5951614043734 4 4    3733 5 4      C-13-H3C(O)CH3
  201019.6536  0.0124 -5.0162 3   99.6108392  59516140424 223 0    24 024 0      C-13-H3C(O)CH3
  201019.6536  0.0124 -5.0162 3   99.6108392  59516140424 123 0    24 124 0      C-13-H3C(O)CH3
  201019.6536  0.0124 -6.8369 3   99.6108392  59516140424 223 0    24 124 0      C-13-H3C(O)CH3
  201019.6536  0.0124 -6.8369 3   99.6108392  59516140424 123 0    24 024 0      C-13-H3C(O)CH3
  201023.3067  0.0158 -6.1415 3  163.4912376  5951614042320 3 1    2221 1 1      C-13-H3C(O)CH3
  201053.6855  0.0165 -6.1415 3  163.4522376  5951614042320 4 2    2221 2 2      C-13-H3C(O)CH3
  201066.5397  0.1519 -5.9918 3 1124.7192508  595161404634221 4    634122 4      C-13-H3C(O)CH3
  201072.2032  0.0125 -5.4535 3  222.2825456  5951614042819 9 1    281612 1      C-13-H3C(O)CH3
  201078.7907  0.0151 -4.9805 3  440.0823600  5951614043734 4 2    3733 5 2      C-13-H3C(O)CH3
  201088.9768  0.0016 -4.3362 3   58.3384132 -59516140416 511 4    15 610 4      C-13-H3C(O)CH3
  201088.9768  0.0016 -4.3362 3   58.3384132 -59516140416 511 3    15 610 3      C-13-H3C(O)CH3
  201093.8993  0.0016 -4.3361 3   58.3383132 -59516140416 611 4    15 510 4      C-13-H3C(O)CH3
  201093.8993  0.0016 -4.3361 3   58.3382132 -59516140416 611 3    15 510 3      C-13-H3C(O)CH3
  201149.5841  0.1607 -5.9800 3 1124.7116508  595161404634221 3    634122 3      C-13-H3C(O)CH3
  201157.2103  0.0143 -5.7728 3  222.2665228  5951614042819 9 4    281612 4      C-13-H3C(O)CH3
  201160.0535  0.0016 -4.0350 3   58.2956264 -59516140416 511 1    15 610 1      C-13-H3C(O)CH3
  201161.3774  0.0039 -4.3639 3   36.6494200 -59516140412 8 5 0    11 7 4 0      C-13-H3C(O)CH3
  201161.6646  0.0016 -4.0351 3   58.2945264 -59516140416 511 2    15 610 2      C-13-H3C(O)CH3
  201165.0849  0.0016 -4.0349 3   58.2954264 -59516140416 611 1    15 510 1      C-13-H3C(O)CH3
  201166.8282  0.0016 -4.0351 3   58.2943264 -59516140416 611 2    15 510 2      C-13-H3C(O)CH3
  201210.2729  0.0176 -5.2809 3  440.0488300  5951614043734 4 3    3733 5 3      C-13-H3C(O)CH3
  201211.0107  0.0166 -6.4416 3  163.4289188  5951614042320 3 3    2221 1 3      C-13-H3C(O)CH3
  201216.4073  0.3646 -6.4659 3 1568.2417C08  595161404754729 0    754630 0      C-13-H3C(O)CH3
  201223.2900  0.0124 -5.7221 3  100.4258156  5951614041913 7 3    1814 4 3      C-13-H3C(O)CH3
  201226.1437  0.0115 -6.1903 3   89.2695148  5951614041812 6 3    1713 4 3      C-13-H3C(O)CH3
  201227.4212  0.0147 -5.1979 3  541.1538340  5951614044235 8 4    4234 9 4      C-13-H3C(O)CH3
  201229.1154  0.0162 -4.9800 3  440.0690600  5951614043734 4 1    3733 5 1      C-13-H3C(O)CH3
  201232.5954  0.0016 -4.0349 3   58.2518264 -59516140416 511 0    15 610 0      C-13-H3C(O)CH3
  201236.8420  0.0150 -5.1979 3  541.1743340  5951614044235 8 3    4234 9 3      C-13-H3C(O)CH3
  201237.8382  0.0016 -4.0349 3   58.2516264 -59516140416 611 0    15 510 0      C-13-H3C(O)CH3
  201259.1401  0.0173 -5.2808 3  440.0699300  5951614043734 3 3    3733 4 3      C-13-H3C(O)CH3
  201263.4161  0.0079 -7.1461 3   11.4222120  595161404 7 7 0 1     6 4 3 1      C-13-H3C(O)CH3
  201263.6138  0.0040 -5.5668 3   95.9902156  5951614041911 9 4    1812 6 4      C-13-H3C(O)CH3
  201275.1132  1.3496 -7.1860 3 1943.7729D52  595161404844935 1    844836 1      C-13-H3C(O)CH3
  201278.8266  0.0144 -4.9799 3  440.1041600  5951614043734 3 2    3733 4 2      C-13-H3C(O)CH3
  201283.4245  0.4753 -6.4659 3 1568.2518C08  595161404754729 2    754630 2      C-13-H3C(O)CH3
  201287.4187  0.0122 -4.8969 3  541.1824680  5951614044235 8 2    4234 9 2      C-13-H3C(O)CH3
  201290.3147  0.0081 -7.1418 3   11.4220120  595161404 7 7 0 2     6 4 3 2      C-13-H3C(O)CH3
  201297.7242  0.0126 -4.8969 3  541.2027680  5951614044235 7 2    4234 8 2      C-13-H3C(O)CH3
  201297.8116  0.0144 -4.9801 3  440.1244600  5951614043734 4 0    3733 5 0      C-13-H3C(O)CH3
  201297.8116  0.0144 -4.9801 3  440.1244600  5951614043734 3 0    3733 4 0      C-13-H3C(O)CH3
  201318.7472  0.1661 -6.0695 3 1195.6700532  595161404663729 3    663630 3      C-13-H3C(O)CH3
  201319.0759  0.1654 -6.0695 3 1195.6701532  595161404663729 4    663630 4      C-13-H3C(O)CH3
  201320.4418  0.0163 -6.4780 3  105.5737312  5951614041915 4 1    1912 7 1      C-13-H3C(O)CH3
  201329.3736  0.0186 -6.4401 3  163.4761188  5951614042320 3 4    2221 1 4      C-13-H3C(O)CH3
  201339.6641  0.0132 -4.8967 3  541.1642680  5951614044235 8 1    4234 9 1      C-13-H3C(O)CH3
  201339.9340  0.0029 -5.4725 3   18.2092 76  595161404 9 6 4 4     8 3 5 4      C-13-H3C(O)CH3
  201341.1548  0.0154 -5.2522 3  632.5249372  595161404463611 3    463512 3      C-13-H3C(O)CH3
  201343.5650  0.0166 -6.4416 3  163.3720188  5951614042320 4 4    2221 2 4      C-13-H3C(O)CH3
  201352.0536  0.0127 -6.2121 3  105.5467312  5951614041915 4 0    1912 7 0      C-13-H3C(O)CH3
  201356.4544  0.0148 -5.1976 3  541.1869340  5951614044235 7 3    4234 8 3      C-13-H3C(O)CH3
  201360.9435  0.0184 -5.2522 3  632.5523372  595161404463610 4    463511 4      C-13-H3C(O)CH3
  201365.4915  0.0157 -5.1976 3  541.2072340  5951614044235 7 4    4234 8 4      C-13-H3C(O)CH3
  201367.1526  0.0142 -4.9513 3  632.5330744  595161404463610 2    463511 2      C-13-H3C(O)CH3
  201401.2568  0.0126 -4.8968 3  541.1927680  5951614044235 7 0    4234 8 0      C-13-H3C(O)CH3
  201401.2571  0.0126 -4.8968 3  541.1927680  5951614044235 8 0    4234 9 0      C-13-H3C(O)CH3
  201410.2583  1.5234 -6.9755 3 1829.2985D04  595161404815130 2    815031 2      C-13-H3C(O)CH3
  201425.9643  0.1279 -5.7680 3 1195.6564A64  595161404663729 1    663630 1      C-13-H3C(O)CH3
  201449.7634  0.0116 -5.4373 3  222.2852456  5951614042819 9 0    281612 0      C-13-H3C(O)CH3
  201458.6438  0.0168 -5.2803 3  440.0917300  5951614043734 3 4    3733 4 4      C-13-H3C(O)CH3
  201461.5705  0.0159 -6.4402 3  163.4191188  5951614042320 4 3    2221 2 3      C-13-H3C(O)CH3
  201462.5160  0.0142 -5.2518 3  632.5023372  595161404463611 4    463512 4      C-13-H3C(O)CH3
  201464.1827  1.2221 -6.9744 3 1829.2983D04  595161404815130 0    815031 0      C-13-H3C(O)CH3
  201464.5463  0.0029 -5.4700 3   18.2090 76  595161404 9 6 4 3     8 3 5 3      C-13-H3C(O)CH3
  201464.9723  0.0119 -5.4428 3  222.2689456  5951614042819 9 2    281612 2      C-13-H3C(O)CH3
  201469.5835  0.0130 -4.8964 3  541.1972680  5951614044235 7 1    4234 8 1      C-13-H3C(O)CH3
  201470.7784  0.1718 -5.7679 3 1195.6600A64  595161404663729 2    663630 2      C-13-H3C(O)CH3
  201472.0935  0.0129 -4.9509 3  632.4936744  595161404463611 1    463512 1      C-13-H3C(O)CH3
  201478.3269  0.0145 -4.9794 3  440.1120600  5951614043734 3 1    3733 4 1      C-13-H3C(O)CH3
  201481.2859  0.3436 -6.4652 3 1568.2580C08  595161404754729 1    754630 1      C-13-H3C(O)CH3
  201483.3666  0.0157 -5.2519 3  632.5299372  595161404463610 3    463511 3      C-13-H3C(O)CH3
  201488.4014  0.0128 -4.9509 3  632.5106744  595161404463611 2    463512 2      C-13-H3C(O)CH3
  201492.9592  0.0144 -4.9509 3  632.5210744  595161404463610 1    463511 1      C-13-H3C(O)CH3
  201498.9111  0.0128 -4.9509 3  632.5017744  595161404463610 0    463511 0      C-13-H3C(O)CH3
  201498.9401  0.0128 -4.9509 3  632.5017744  595161404463611 0    463512 0      C-13-H3C(O)CH3
  201511.7181  0.0037 -5.2513 3   95.9645312  5951614041911 9 1    1812 6 1      C-13-H3C(O)CH3
  201511.8679  0.3233 -6.4324 3 1554.9779C08  595161404754531 0    754432 0      C-13-H3C(O)CH3
  201515.6211  0.0117 -5.9532 3  100.4160156  5951614041913 7 3    1814 5 3      C-13-H3C(O)CH3
  201522.2767  0.2512 -6.4324 3 1554.9860C08  595161404754531 2    754432 2      C-13-H3C(O)CH3
  201528.5371  0.0051 -5.5495 3   95.9817156  5951614041911 9 3    1812 6 3      C-13-H3C(O)CH3
  201538.3517  0.0188 -7.0275 3  232.3304472  595161404291712 2    2820 8 2      C-13-H3C(O)CH3
  201543.1676  0.4329 -6.7663 3 1568.2679604  595161404754729 3    754630 3      C-13-H3C(O)CH3
  201548.3908  1.3901 -7.1851 3 1943.7867D52  595161404844935 0    844836 0      C-13-H3C(O)CH3
  201548.6240  0.0041 -5.2459 3   95.9602312  5951614041911 9 2    1812 6 2      C-13-H3C(O)CH3
  201552.7847  0.4199 -6.7660 3 1568.2681604  595161404754729 4    754630 4      C-13-H3C(O)CH3
  201576.3476  0.1304 -5.7675 3 1195.6464A64  595161404663729 0    663630 0      C-13-H3C(O)CH3
  201604.4625  0.0127 -5.5494 3   89.2569148  5951614041812 6 3    1713 5 3      C-13-H3C(O)CH3
  201624.4427  0.0218 -6.7641 3  105.5939156  5951614041915 4 4    1912 7 4      C-13-H3C(O)CH3
  201632.7506  0.2981 -6.4321 3 1554.9822C08  595161404754531 1    754432 1      C-13-H3C(O)CH3
  201642.8003  0.1606 -6.7331 3 1554.9903604  595161404754531 3    754432 3      C-13-H3C(O)CH3
  201643.3661  0.1570 -6.7331 3 1554.9903604  595161404754531 4    754432 4      C-13-H3C(O)CH3
  201645.2653  0.0033 -5.1690 3   18.1450152  595161404 9 6 4 1     8 3 5 1      C-13-H3C(O)CH3
  201661.3972  1.7767 -7.1848 3 1943.7861D52  595161404844935 2    844836 2      C-13-H3C(O)CH3
  201666.3708  0.0019 -5.2396 3   95.9388312  5951614041911 9 0    1812 6 0      C-13-H3C(O)CH3
  201670.6230  0.0160 -6.4849 3  105.5658312  5951614041915 4 2    1912 7 2      C-13-H3C(O)CH3
  201675.1950  0.0037 -5.1693 3   18.1439152  595161404 9 6 4 2     8 3 5 2      C-13-H3C(O)CH3
  201693.5425  0.0040 -5.1602 3   23.6311 84  59516140410 6 4 3     9 5 5 3      C-13-H3C(O)CH3
  201720.7456  0.0593 -5.6996 3  962.7287468  595161404584018 4    583919 4      C-13-H3C(O)CH3
  201723.5219  0.0044 -4.8565 3   23.5706168  59516140410 6 4 2     9 5 5 2      C-13-H3C(O)CH3
  201756.4398  0.0057 -5.1620 3   23.6308 84  59516140410 6 4 4     9 5 5 4      C-13-H3C(O)CH3
  201767.7716  0.0259 -7.1710 3  232.3194236  595161404291712 4    2820 8 4      C-13-H3C(O)CH3
  201769.5569  0.0731 -5.4010 3  962.6735936  595161404584018 1    583919 1      C-13-H3C(O)CH3
  201798.7793  0.1104 -5.6677 3 1124.5979A16  595161404634222 0    634123 0      C-13-H3C(O)CH3
  201801.9834  0.0045 -4.8540 3   23.5113168 -59516140410 6 4 0     9 5 5 0      C-13-H3C(O)CH3
  201802.3173  0.0044 -4.8576 3   23.5714168  59516140410 6 4 1     9 5 5 1      C-13-H3C(O)CH3
  201805.6523  0.0664 -5.3974 3  962.6269936  595161404584018 0    583919 0      C-13-H3C(O)CH3
  201807.8565  1.3840 -7.2751 3 1829.3028652  595161404815130 4    815031 4      C-13-H3C(O)CH3
  201807.8783  0.0592 -5.3999 3  962.6800936  595161404584018 2    583919 2      C-13-H3C(O)CH3
  201808.6131  1.4387 -7.2751 3 1829.3033652  595161404815130 3    815031 3      C-13-H3C(O)CH3
  201859.6998  0.0082 -5.4149 3  100.3903312  5951614041913 7 2    1814 5 2      C-13-H3C(O)CH3
  201861.4557  1.1941 -6.9729 3 1829.3030D04  595161404815130 1    815031 1      C-13-H3C(O)CH3
  201868.7965  0.0036 -4.4712 3  382.1790632 -595161404391624 2    391525 2      C-13-H3C(O)CH3
  201868.7965  0.0036 -4.4712 3  382.1790632 -595161404391524 2    391425 2      C-13-H3C(O)CH3
  201871.1802  0.0038 -4.7722 3  382.1518316 -595161404391524 4    391425 4      C-13-H3C(O)CH3
  201871.1802  0.0037 -4.7722 3  382.1518316 -595161404391624 3    391525 3      C-13-H3C(O)CH3
  201871.1802  0.0038 -4.7722 3  382.1518316 -595161404391624 4    391525 4      C-13-H3C(O)CH3
  201871.1802  0.0037 -4.7722 3  382.1518316 -595161404391524 3    391425 3      C-13-H3C(O)CH3
  201873.6797  0.0031 -4.4712 3  382.2079632 -595161404391624 0    391525 0      C-13-H3C(O)CH3
  201873.6797  0.0031 -4.4712 3  382.2079632 -595161404391524 0    391425 0      C-13-H3C(O)CH3
  201876.0668  0.0036 -4.4712 3  382.1807632 -595161404391624 1    391525 1      C-13-H3C(O)CH3
  201876.0668  0.0036 -4.4712 3  382.1807632 -595161404391524 1    391425 1      C-13-H3C(O)CH3
  201880.1763  0.2120 -6.6992 3  962.7101468  595161404584019 3    583919 3      C-13-H3C(O)CH3
  201896.5320  0.2067 -6.1103 3 1374.7696B28  595161404704526 0    704427 0      C-13-H3C(O)CH3
  201918.6412  0.0038 -5.1681 3   18.0800152  595161404 9 6 4 0     8 3 5 0      C-13-H3C(O)CH3
  201928.8126  0.0659 -5.3969 3  962.6223936  595161404584019 0    583920 0      C-13-H3C(O)CH3
  201937.9671  0.0117 -5.4746 3   89.2243296  5951614041812 6 2    1713 5 2      C-13-H3C(O)CH3
  201942.8851  0.1110 -5.6853 3 1124.6356A16  595161404634222 1    634123 1      C-13-H3C(O)CH3
  201953.4519  0.1047 -5.6963 3 1124.6335A16  595161404634222 2    634123 2      C-13-H3C(O)CH3
  201979.7226  0.0677 -5.7437 3  962.7101468  595161404584018 3    583919 3      C-13-H3C(O)CH3
  201993.1229  0.0153 -6.4896 3  232.3346472  595161404291712 0    2820 9 0      C-13-H3C(O)CH3
  202036.2561  0.2941 -6.1104 3 1374.7918B28  595161404704526 2    704427 2      C-13-H3C(O)CH3
  202037.2382  0.0017 -4.2481 3   61.8324140 -59516140417 413 3    16 512 3      C-13-H3C(O)CH3
  202037.2382  0.0017 -4.2481 3   61.8324140 -59516140417 513 4    16 412 4      C-13-H3C(O)CH3
  202037.2382  0.0017 -4.2481 3   61.8324140 -59516140417 513 3    16 412 3      C-13-H3C(O)CH3
  202037.2382  0.0017 -4.2481 3   61.8324140 -59516140417 413 4    16 512 4      C-13-H3C(O)CH3
  202044.9296  0.0188 -6.9183 3  232.3292472  595161404291712 1    2820 8 1      C-13-H3C(O)CH3
  202057.8289  0.0127 -5.7754 3  145.0958360  5951614042218 5 0    2119 2 0      C-13-H3C(O)CH3
  202059.6194  0.0127 -5.7754 3  145.0958360  5951614042218 4 0    2119 3 0      C-13-H3C(O)CH3
  202067.7796  0.0714 -5.7434 3  962.7038468  595161404584019 3    583920 3      C-13-H3C(O)CH3
  202069.0063  0.0663 -5.4000 3  962.6536936  595161404584019 1    583920 1      C-13-H3C(O)CH3
  202071.1906  0.1125 -5.9761 3 1124.6755508  595161404634222 3    634123 3      C-13-H3C(O)CH3
  202095.9718  0.0017 -3.9468 3   61.7874280 -59516140417 513 1    16 412 1      C-13-H3C(O)CH3
  202095.9718  0.0017 -3.9468 3   61.7875280 -59516140417 413 1    16 512 1      C-13-H3C(O)CH3
  202096.7164  0.0017 -3.9469 3   61.7866280 -59516140417 513 2    16 412 2      C-13-H3C(O)CH3
  202096.7164  0.0017 -3.9469 3   61.7866280 -59516140417 413 2    16 512 2      C-13-H3C(O)CH3
  202109.5024  0.0080 -5.3909 3  100.3792312  5951614041913 7 1    1814 5 1      C-13-H3C(O)CH3
  202120.3297  0.2082 -6.1099 3 1374.7992B28  595161404704526 1    704427 1      C-13-H3C(O)CH3
  202136.3553  0.0702 -5.3988 3  962.6558936  595161404584019 2    583920 2      C-13-H3C(O)CH3
  202140.1775  0.0115 -6.1959 3   32.4981 92  59516140411 9 3 4    10 8 2 4      C-13-H3C(O)CH3
  202154.0687  0.1360 -5.9877 3 1124.6681508  595161404634222 4    634123 4      C-13-H3C(O)CH3
  202154.9648  0.0435 -5.5664 3  915.3946468  595161404583127 3    583028 3      C-13-H3C(O)CH3
  202155.1308  0.0436 -5.5664 3  915.3946468  595161404583127 4    583028 4      C-13-H3C(O)CH3
  202155.3444  0.0016 -3.9467 3   61.7418280 -59516140417 413 0    16 512 0      C-13-H3C(O)CH3
  202155.3444  0.0016 -3.9467 3   61.7418280 -59516140417 513 0    16 412 0      C-13-H3C(O)CH3
  202167.3259  0.2367 -6.6979 3  962.7038468  595161404584018 3    583920 3      C-13-H3C(O)CH3
  202177.2215  0.0192 -6.6406 3  232.3091472  595161404291712 2    2820 9 2      C-13-H3C(O)CH3
  202182.9211  0.0140 -6.7552 3   93.6091148  5951614041814 5 4    1811 8 4      C-13-H3C(O)CH3
  202187.2375  0.0324 -5.2653 3  915.3872936  595161404583127 1    583028 1      C-13-H3C(O)CH3
  202188.5142  0.0429 -5.2653 3  915.3880936  595161404583127 2    583028 2      C-13-H3C(O)CH3
  202189.0361  0.0227 -5.3623 3  422.6277292  5951614043634 3 4    3633 4 4      C-13-H3C(O)CH3
  202189.8142  0.2475 -7.0578 3 1124.6356A16  595161404634221 1    634123 1      C-13-H3C(O)CH3
  202220.3381  0.0316 -5.2653 3  915.3807936  595161404583127 0    583028 0      C-13-H3C(O)CH3
  202230.9653  0.3419 -6.8560 3 1124.6335A16  595161404634221 2    634123 2      C-13-H3C(O)CH3
  202245.8131  0.0174 -5.0614 3  422.6888584  5951614043634 3 2    3633 4 2      C-13-H3C(O)CH3
  202250.5035  0.3015 -6.4116 3 1374.8215564  595161404704526 3    704427 3      C-13-H3C(O)CH3
  202261.2425  0.0112 -5.7736 3  145.0981360  5951614042218 4 2    2119 2 2      C-13-H3C(O)CH3
  202268.3927  0.2986 -6.4104 3 1374.8214564  595161404704526 4    704427 4      C-13-H3C(O)CH3
  202326.0341  0.0774 -5.6976 3  962.6853468  595161404584019 4    583920 4      C-13-H3C(O)CH3
  202340.3361  0.0053 -4.7271 3  583.4022760  595161404472225 0    472126 0      C-13-H3C(O)CH3
  202340.8340  0.0053 -4.7271 3  583.4022760  595161404472325 0    472226 0      C-13-H3C(O)CH3
  202361.9758  0.0066 -5.4706 3  203.1434440  595161404271710 0    271413 0      C-13-H3C(O)CH3
  202362.6704  0.0117 -5.4963 3   89.2145296  5951614041812 6 1    1713 5 1      C-13-H3C(O)CH3
  202371.7900  0.0076 -4.7268 3  583.3831760  595161404472225 2    472126 2      C-13-H3C(O)CH3
  202372.3367  0.0075 -4.7268 3  583.3831760  595161404472325 2    472226 2      C-13-H3C(O)CH3
  202378.3157  0.0084 -5.4718 3  203.1306440  595161404271710 2    271413 2      C-13-H3C(O)CH3
  202378.3886  0.0058 -4.7268 3  583.3846760  595161404472225 1    472126 1      C-13-H3C(O)CH3
  202378.9234  0.0058 -4.7268 3  583.3846760  595161404472325 1    472226 1      C-13-H3C(O)CH3
  202383.8114  0.0398 -5.5655 3  915.3957468  595161404583227 4    583128 4      C-13-H3C(O)CH3
  202384.0095  0.0396 -5.5655 3  915.3957468  595161404583227 3    583128 3      C-13-H3C(O)CH3
  202404.3476  0.0387 -5.2644 3  915.3890936  595161404583227 2    583128 2      C-13-H3C(O)CH3
  202404.5649  0.0319 -5.2644 3  915.3883936  595161404583227 1    583128 1      C-13-H3C(O)CH3
  202409.9163  0.0078 -5.0276 3  583.3655380  595161404472225 3    472126 3      C-13-H3C(O)CH3
  202409.9950  0.0079 -5.0276 3  583.3654380  595161404472225 4    472126 4      C-13-H3C(O)CH3
  202410.5037  0.0078 -5.0276 3  583.3655380  595161404472325 3    472226 3      C-13-H3C(O)CH3
  202410.5794  0.0079 -5.0276 3  583.3654380  595161404472325 4    472226 4      C-13-H3C(O)CH3
  202422.7247  0.0188 -5.0609 3  422.6783584  5951614043634 3 1    3633 4 1      C-13-H3C(O)CH3
  202425.1150  0.0307 -5.2645 3  915.3816936  595161404583227 0    583128 0      C-13-H3C(O)CH3
  202429.9926  0.0121 -5.7731 3  145.0832360  5951614042218 4 1    2119 2 1      C-13-H3C(O)CH3
  202430.0670  0.0123 -5.7740 3  145.0231360  5951614042218 5 1    2119 3 1      C-13-H3C(O)CH3
  202436.3442  0.0200 -5.3616 3  422.6520292  5951614043634 3 3    3633 4 3      C-13-H3C(O)CH3
  202457.8700  0.0199 -5.3617 3  422.6746292  5951614043634 2 3    3633 3 3      C-13-H3C(O)CH3
  202471.8283  0.0127 -4.9970 3  756.6267856  595161404532726 0    532627 0      C-13-H3C(O)CH3
  202479.0745  0.0189 -4.9968 3  756.6233856  595161404532726 2    532627 2      C-13-H3C(O)CH3
  202481.2938  0.0165 -5.0610 3  422.7394584  5951614043634 3 0    3633 3 0      C-13-H3C(O)CH3
  202481.2938  0.0165 -5.0610 3  422.7394584  5951614043634 2 0    3633 4 0      C-13-H3C(O)CH3
  202483.3106  0.0137 -4.9968 3  756.6239856  595161404532726 1    532627 1      C-13-H3C(O)CH3
  202490.5160  0.0196 -5.2977 3  756.6205428  595161404532726 3    532627 3      C-13-H3C(O)CH3
  202490.6191  0.0197 -5.2977 3  756.6205428  595161404532726 4    532627 4      C-13-H3C(O)CH3
  202491.6631  0.0127 -4.9969 3  756.6268856  595161404532826 0    532727 0      C-13-H3C(O)CH3
  202492.7836  0.0124 -5.7730 3  145.0354360  5951614042218 5 2    2119 3 2      C-13-H3C(O)CH3
  202494.9867  0.0167 -5.0607 3  422.7130584  5951614043634 2 2    3633 3 2      C-13-H3C(O)CH3
  202500.3650  0.0186 -4.9967 3  756.6234856  595161404532826 2    532727 2      C-13-H3C(O)CH3
  202504.5235  0.0137 -4.9967 3  756.6240856  595161404532826 1    532727 1      C-13-H3C(O)CH3
  202513.2886  0.0193 -5.2976 3  756.6206428  595161404532826 3    532727 3      C-13-H3C(O)CH3
  202513.3253  0.0194 -5.2976 3  756.6206428  595161404532826 4    532727 4      C-13-H3C(O)CH3
  202516.4570  0.0085 -5.4745 3  203.1369440  595161404271710 1    271413 1      C-13-H3C(O)CH3
  202529.2155  0.0099 -6.9104 3  412.4577324  595161404401723 4    392020 4      C-13-H3C(O)CH3
  202529.3307  0.0099 -6.9104 3  412.4577324  595161404401723 3    392020 3      C-13-H3C(O)CH3
  202529.7041  0.0088 -5.7769 3  203.1242220  595161404271710 4    271413 4      C-13-H3C(O)CH3
  202538.2071  0.0122 -5.7767 3  203.1241220  595161404271710 3    271413 3      C-13-H3C(O)CH3
  202539.9784  0.0097 -6.6098 3  412.4861648  595161404401723 1    392020 1      C-13-H3C(O)CH3
  202554.8201  0.0099 -6.9103 3  412.4568324  595161404401823 4    391920 4      C-13-H3C(O)CH3
  202555.0060  0.0099 -6.9103 3  412.4569324  595161404401823 3    391920 3      C-13-H3C(O)CH3
  202564.3963  0.0097 -6.6097 3  412.4852648  595161404401823 1    391920 1      C-13-H3C(O)CH3
  202576.4504  0.1459 -5.7894 3 1194.4346A48  595161404654322 0    654223 0      C-13-H3C(O)CH3
  202580.8965  0.0100 -6.6074 3  412.4824648  595161404401723 2    392020 2      C-13-H3C(O)CH3
  202591.3434  0.0085 -6.6080 3  412.5107648  595161404401723 0    392020 0      C-13-H3C(O)CH3
  202597.7332  0.5404 -7.3166 3 1124.6681508  595161404634221 4    634123 4      C-13-H3C(O)CH3
  202606.1468  0.0100 -6.6073 3  412.4816648  595161404401823 2    391920 2      C-13-H3C(O)CH3
  202615.3651  0.0085 -6.6078 3  412.5099648  595161404401823 0    391920 0      C-13-H3C(O)CH3
  202630.8405  0.0130 -6.0732 3  145.0253180  5951614042218 5 3    2119 2 3      C-13-H3C(O)CH3
  202632.9333  0.0152 -6.0723 3  145.0855180  5951614042218 4 4    2119 2 4      C-13-H3C(O)CH3
  202664.1073  0.0203 -5.3321 3  708.0930396  595161404493712 4    493613 4      C-13-H3C(O)CH3
  202693.8537  0.0170 -5.0602 3  422.7252584  5951614043634 2 1    3633 3 1      C-13-H3C(O)CH3
  202706.9266  0.0195 -5.3610 3  422.6988292  5951614043634 2 4    3633 3 4      C-13-H3C(O)CH3
  202708.8151  0.1548 -5.7903 3 1194.4741A48  595161404654322 1    654223 1      C-13-H3C(O)CH3
  202711.9976  0.0160 -5.0309 3  708.0636792  595161404493712 2    493613 2      C-13-H3C(O)CH3
  202722.9766  0.0168 -5.3318 3  708.0689396  595161404493713 3    493614 3      C-13-H3C(O)CH3
  202730.8268  0.0035 -4.7480 3  358.7443308 -595161404381424 3    381325 3      C-13-H3C(O)CH3
  202730.8268  0.0036 -4.7480 3  358.7443308 -595161404381524 4    381425 4      C-13-H3C(O)CH3
  202730.8268  0.0036 -4.7480 3  358.7443308 -595161404381424 4    381325 4      C-13-H3C(O)CH3
  202730.8268  0.0035 -4.7480 3  358.7443308 -595161404381524 3    381425 3      C-13-H3C(O)CH3
  202732.1112  0.1682 -5.7909 3 1194.4694A48  595161404654322 2    654223 2      C-13-H3C(O)CH3
  202741.6463  0.0035 -4.4470 3  358.7706616 -595161404381524 2    381425 2      C-13-H3C(O)CH3
  202741.6463  0.0035 -4.4470 3  358.7706616 -595161404381424 2    381325 2      C-13-H3C(O)CH3
  202748.6375  0.0035 -4.4470 3  358.7722616 -595161404381424 1    381325 1      C-13-H3C(O)CH3
  202748.6375  0.0035 -4.4470 3  358.7722616 -595161404381524 1    381425 1      C-13-H3C(O)CH3
  202759.4281  0.0030 -4.4469 3  358.7984616 -595161404381524 0    381425 0      C-13-H3C(O)CH3
  202759.4281  0.0030 -4.4469 3  358.7984616 -595161404381424 0    381325 0      C-13-H3C(O)CH3
  202799.4404  0.0161 -5.0306 3  708.0500792  595161404493712 1    493613 1      C-13-H3C(O)CH3
  202810.2009  0.0822 -5.8029 3 1051.0929500  595161404623428 3    623329 3      C-13-H3C(O)CH3
  202810.4620  0.0821 -5.8029 3 1051.0930500  595161404623428 4    623329 4      C-13-H3C(O)CH3
  202816.9893  0.0238 -6.8987 3  232.2841236  595161404291712 3    2820 9 3      C-13-H3C(O)CH3
  202826.6048  0.1804 -6.0934 3 1194.5108524  595161404654322 4    654223 4      C-13-H3C(O)CH3
  202847.0451  0.0149 -5.0305 3  708.0205792  595161404493712 0    493613 0      C-13-H3C(O)CH3
  202847.3616  0.0149 -5.0305 3  708.0205792  595161404493713 0    493614 0      C-13-H3C(O)CH3
  202857.5138  0.0158 -5.0304 3  708.0258792  595161404493713 1    493614 1      C-13-H3C(O)CH3
  202858.9087  0.0132 -6.0726 3  144.9628180  5951614042218 5 4    2119 3 4      C-13-H3C(O)CH3
  202860.4079  0.0170 -5.3315 3  708.0697396  595161404493712 3    493613 3      C-13-H3C(O)CH3
  202861.0593  0.0075 -5.7383 3  145.7225376  5951614042314 9 0    231112 0      C-13-H3C(O)CH3
  202862.2082  0.0125 -6.0717 3  145.0228180  5951614042218 4 3    2119 3 3      C-13-H3C(O)CH3
  202867.2902  0.0082 -5.7408 3  145.7252376  5951614042314 9 2    231112 2      C-13-H3C(O)CH3
  202870.7137  0.0098 -5.6173 3  100.3532156  5951614041913 7 4    1814 5 4      C-13-H3C(O)CH3
  202877.6748  0.0627 -5.5016 3 1051.0806A00  595161404623428 1    623329 1      C-13-H3C(O)CH3
  202891.1500  0.0828 -5.5016 3 1051.0826A00  595161404623428 2    623329 2      C-13-H3C(O)CH3
  202891.7882  0.4929 -6.6846 3 1689.1563C56  595161404784831 0    784732 0      C-13-H3C(O)CH3
  202900.4970  0.1742 -6.0896 3 1194.5071524  595161404654322 3    654223 3      C-13-H3C(O)CH3
  202902.8398  0.5373 -6.6846 3 1689.1606C56  595161404784831 2    784732 2      C-13-H3C(O)CH3
  202907.3755  0.0153 -5.0303 3  708.0402792  595161404493713 2    493614 2      C-13-H3C(O)CH3
  202911.4749  0.0157 -5.2056 3  521.2411332  5951614044135 7 4    4134 8 4      C-13-H3C(O)CH3
  202918.0692  0.0171 -5.3312 3  708.0455396  595161404493713 4    493614 4      C-13-H3C(O)CH3
  202957.6139  0.0627 -5.5014 3 1051.0702A00  595161404623428 0    623329 0      C-13-H3C(O)CH3
  202970.0503  0.0154 -5.2055 3  521.2617332  5951614044135 7 3    4134 8 3      C-13-H3C(O)CH3
  202972.4910  0.0125 -4.9047 3  521.2756664  5951614044135 7 2    4134 8 2      C-13-H3C(O)CH3
  203001.9807  0.0344 -5.5569 3  873.1539444  595161404553916 4    553817 4      C-13-H3C(O)CH3
  203009.5477  0.0050 -7.0696 3    9.1291120  595161404 7 5 2 2     6 2 5 2      C-13-H3C(O)CH3
  203030.6847  0.0048 -7.0731 3    9.1297120  595161404 7 5 2 1     6 2 5 1      C-13-H3C(O)CH3
  203032.2512  0.0124 -4.9045 3  521.2960664  5951614044135 6 2    4134 7 2      C-13-H3C(O)CH3
  203054.4565  0.0135 -4.9044 3  521.2582664  5951614044135 7 1    4134 8 1      C-13-H3C(O)CH3
  203071.1476  0.0149 -5.2053 3  521.2771332  5951614044135 6 3    4134 7 3      C-13-H3C(O)CH3
  203072.3408  0.0018 -4.1749 3   64.7676148 -59516140418 315 4    17 414 4      C-13-H3C(O)CH3
  203072.3408  0.0018 -4.1749 3   64.7676148 -59516140418 315 3    17 414 3      C-13-H3C(O)CH3
  203072.3408  0.0018 -4.1749 3   64.7676148 -59516140418 415 3    17 314 3      C-13-H3C(O)CH3
  203072.3408  0.0018 -4.1749 3   64.7676148 -59516140418 415 4    17 314 4      C-13-H3C(O)CH3
  203082.7015  0.0190 -6.6821 3  232.2946472  595161404291712 1    2820 9 1      C-13-H3C(O)CH3
  203097.8612  0.0360 -5.2555 3  873.1093888  595161404553916 2    553817 2      C-13-H3C(O)CH3
  203098.4644  0.0434 -5.2555 3  873.0985888  595161404553916 1    553817 1      C-13-H3C(O)CH3
  203114.6446  0.0083 -5.7438 3  145.7290376  5951614042314 9 1    231112 1      C-13-H3C(O)CH3
  203117.1587  0.0125 -4.9045 3  521.2926664  5951614044135 6 0    4134 7 0      C-13-H3C(O)CH3
  203117.1587  0.0125 -4.9045 3  521.2926664  5951614044135 7 0    4134 8 0      C-13-H3C(O)CH3
  203119.3340  0.0019 -3.8737 3   64.7188296 -59516140418 315 1    17 414 1      C-13-H3C(O)CH3
  203119.3340  0.0019 -3.8737 3   64.7188296 -59516140418 415 1    17 314 1      C-13-H3C(O)CH3
  203119.6580  0.0019 -3.8738 3   64.7182296 -59516140418 315 2    17 414 2      C-13-H3C(O)CH3
  203119.6580  0.0019 -3.8738 3   64.7182296 -59516140418 415 2    17 314 2      C-13-H3C(O)CH3
  203119.8711  0.0098 -6.0472 3  145.7317188  5951614042314 9 3    231112 3      C-13-H3C(O)CH3
  203129.0884  0.0119 -6.0473 3  145.7318188  5951614042314 9 4    231112 4      C-13-H3C(O)CH3
  203129.7556  0.0152 -5.2051 3  521.2974332  5951614044135 6 4    4134 7 4      C-13-H3C(O)CH3
  203136.9525  0.4460 -6.6838 3 1689.1629C56  595161404784831 1    784732 1      C-13-H3C(O)CH3
  203142.4546  0.0059 -6.4235 3  236.9318244  595161404301416 3    291713 3      C-13-H3C(O)CH3
  203144.5905  0.4149 -6.9849 3 1689.1672628  595161404784831 3    784732 3      C-13-H3C(O)CH3
  203144.6515  0.0062 -6.4235 3  236.9317244  595161404301416 4    291713 4      C-13-H3C(O)CH3
  203150.5592  0.4039 -6.9849 3 1689.1673628  595161404784831 4    784732 4      C-13-H3C(O)CH3
  203166.4736  0.0017 -3.8735 3   64.6696296 -59516140418 315 0    17 414 0      C-13-H3C(O)CH3
  203166.4736  0.0017 -3.8735 3   64.6696296 -59516140418 415 0    17 314 0      C-13-H3C(O)CH3
  203178.6588  0.0060 -6.1218 3  236.9500488  595161404301416 1    291713 1      C-13-H3C(O)CH3
  203184.4696  0.0425 -5.2551 3  873.0543888  595161404553916 0    553817 0      C-13-H3C(O)CH3
  203188.8584  0.0048 -7.0610 3    9.0580120  595161404 7 5 2 0     6 2 5 0      C-13-H3C(O)CH3
  203204.6367  0.0424 -5.2550 3  873.0535888  595161404553917 0    553818 0      C-13-H3C(O)CH3
  203215.2485  0.0051 -6.5183 3   78.1361140  5951614041711 7 4    17 810 4      C-13-H3C(O)CH3
  203215.3687  0.0126 -4.9040 3  521.2940664  5951614044135 6 1    4134 7 1      C-13-H3C(O)CH3
  203215.7287  0.0303 -5.5576 3  873.1343444  595161404553916 3    553817 3      C-13-H3C(O)CH3
  203228.9058  0.0060 -6.1188 3  236.9445488  595161404301416 2    291713 2      C-13-H3C(O)CH3
  203253.1166  0.0235 -5.4343 3  788.2852420  595161404523814 4    523715 4      C-13-H3C(O)CH3
  203259.8806  0.0259 -5.4956 3  405.7328284  5951614043534 2 4    3533 3 4      C-13-H3C(O)CH3
  203264.3292  0.0055 -6.1182 3  236.9628488  595161404301416 0    291713 0      C-13-H3C(O)CH3
  203269.5297  0.0218 -6.6701 3  127.9675172  5951614042116 6 4    2113 8 4      C-13-H3C(O)CH3
  203299.7266  0.0384 -5.5574 3  873.1297444  595161404553917 3    553818 3      C-13-H3C(O)CH3
  203304.0016  0.0204 -5.1947 3  405.7994568  5951614043534 2 2    3533 3 2      C-13-H3C(O)CH3
  203313.3176  0.0429 -5.2548 3  873.0788888  595161404553917 1    553818 1      C-13-H3C(O)CH3
  203332.8017  0.0219 -5.1330 3  788.2472840  595161404523814 2    523715 2      C-13-H3C(O)CH3
  203339.1948  0.0106 -7.2813 3  183.3544212  595161404261412 4    2517 8 4      C-13-H3C(O)CH3
  203349.4252  0.0041 -6.5155 3   78.1360140  5951614041711 7 3    17 810 3      C-13-H3C(O)CH3
  203377.1189  0.0244 -5.1328 3  788.2339840  595161404523814 1    523715 1      C-13-H3C(O)CH3
  203383.5675  0.0286 -7.0159 3  232.2655236  595161404291712 4    2820 9 4      C-13-H3C(O)CH3
  203391.1780  0.0202 -5.4340 3  788.2638420  595161404523815 3    523715 3      C-13-H3C(O)CH3
  203394.7888  0.0398 -5.2545 3  873.0851888  595161404553917 2    553818 2      C-13-H3C(O)CH3
  203455.3592  0.0244 -5.1326 3  788.1960840  595161404523814 0    523715 0      C-13-H3C(O)CH3
  203458.1372  0.0244 -5.1326 3  788.1959840  595161404523815 0    523716 0      C-13-H3C(O)CH3
  203505.7431  0.0221 -5.1941 3  405.7921568  5951614043534 2 1    3533 3 1      C-13-H3C(O)CH3
  203509.0133  0.0217 -5.4337 3  788.2613420  595161404523814 3    523716 3      C-13-H3C(O)CH3
  203512.4594  0.0424 -5.5552 3  873.1101444  595161404553917 4    553818 4      C-13-H3C(O)CH3
  203514.7709  0.0258 -5.1323 3  788.2126840  595161404523815 1    523716 1      C-13-H3C(O)CH3
  203516.4958  0.0034 -4.7274 3  335.9185300 -595161404371424 3    371325 3      C-13-H3C(O)CH3
  203516.4958  0.0034 -4.7274 3  335.9185300 -595161404371324 3    371225 3      C-13-H3C(O)CH3
  203516.4958  0.0035 -4.7274 3  335.9185300 -595161404371424 4    371325 4      C-13-H3C(O)CH3
  203516.4958  0.0035 -4.7274 3  335.9185300 -595161404371324 4    371225 4      C-13-H3C(O)CH3
  203536.5420  0.0041 -6.2122 3   78.1053280  5951614041711 7 1    17 810 1      C-13-H3C(O)CH3
  203542.7627  0.0034 -4.4263 3  335.9431600 -595161404371424 2    371325 2      C-13-H3C(O)CH3
  203542.7627  0.0034 -4.4263 3  335.9431600 -595161404371324 2    371225 2      C-13-H3C(O)CH3
  203547.6917  0.0233 -5.4949 3  405.7839284  5951614043534 1 3    3533 2 3      C-13-H3C(O)CH3
  203549.6092  0.0034 -4.4263 3  335.9445600 -595161404371324 1    371225 1      C-13-H3C(O)CH3
  203549.6092  0.0034 -4.4263 3  335.9445600 -595161404371424 1    371325 1      C-13-H3C(O)CH3
  203551.5234  0.0192 -5.1943 3  405.8588568  5951614043534 2 0    3533 3 0      C-13-H3C(O)CH3
  203551.5234  0.0192 -5.1943 3  405.8588568  5951614043534 1 0    3533 2 0      C-13-H3C(O)CH3
  203552.8255  0.0088 -7.3274 3  183.3567424  595161404261412 1    2517 8 1      C-13-H3C(O)CH3
  203554.7995  0.0106 -6.4602 3   93.5893296  5951614041814 5 1    1811 8 1      C-13-H3C(O)CH3
  203555.1374  0.0233 -5.4948 3  405.7602284  5951614043534 2 3    3533 3 3      C-13-H3C(O)CH3
  203566.3134  0.0156 -5.2376 3  610.5735364  595161404453610 3    453511 3      C-13-H3C(O)CH3
  203567.6004  0.0042 -6.2109 3   78.1034280  5951614041711 7 2    17 810 2      C-13-H3C(O)CH3
  203575.7267  0.0029 -4.4261 3  335.9691600 -595161404371424 0    371325 0      C-13-H3C(O)CH3
  203575.7267  0.0029 -4.4261 3  335.9691600 -595161404371324 0    371225 0      C-13-H3C(O)CH3
  203588.0890  0.0230 -5.1322 3  788.2232840  595161404523815 2    523716 2      C-13-H3C(O)CH3
  203594.5959  0.9228 -6.8012 3 1742.4961C72  595161404795029 0    794930 0      C-13-H3C(O)CH3
  203601.1730  0.0198 -5.1939 3  405.8267568  5951614043534 1 2    3533 2 2      C-13-H3C(O)CH3
  203605.2067  0.0139 -4.9367 3  610.5868728  5951614044536 9 2    453510 2      C-13-H3C(O)CH3
  203608.5143  1.1320 -6.8029 3 1742.4991C72  595161404795029 2    794930 2      C-13-H3C(O)CH3
  203622.2077  0.0179 -5.2376 3  610.6025364  5951614044536 9 4    453510 4      C-13-H3C(O)CH3
  203625.9138  0.0129 -6.5648 3  102.7036156  5951614041914 6 4    1911 9 4      C-13-H3C(O)CH3
  203635.7128  0.2519 -6.2688 3 1308.1228556  595161404693930 3    693831 3      C-13-H3C(O)CH3
  203635.9348  0.2508 -6.2688 3 1308.1228556  595161404693930 4    693831 4      C-13-H3C(O)CH3
  203638.7644  0.0650 -5.7995 3 1051.0976500  595161404623528 4    623429 4      C-13-H3C(O)CH3
  203639.2412  0.0646 -5.7995 3 1051.0976500  595161404623528 3    623429 3      C-13-H3C(O)CH3
  203643.8216  0.0143 -5.2374 3  610.5526364  595161404453610 4    453511 4      C-13-H3C(O)CH3
  203645.8896  0.0249 -5.4330 3  788.2399420  595161404523815 4    523716 4      C-13-H3C(O)CH3
  203674.5059  0.0576 -5.4984 3 1051.0850A00  595161404623528 1    623429 1      C-13-H3C(O)CH3
  203677.5073  0.0638 -5.4984 3 1051.0870A00  595161404623528 2    623429 2      C-13-H3C(O)CH3
  203682.2675  0.0128 -4.9365 3  610.5660728  595161404453610 2    453511 2      C-13-H3C(O)CH3
  203686.0295  0.0036 -4.6704 3   42.8616108 -59516140413 8 6 4    12 7 5 4      C-13-H3C(O)CH3
  203693.4357  0.0132 -4.9363 3  610.5482728  595161404453610 1    453511 1      C-13-H3C(O)CH3
  203700.5306  0.0157 -5.2373 3  610.5817364  5951614044536 9 3    453510 3      C-13-H3C(O)CH3
  203701.0992  0.0165 -5.8951 3   89.1955148  5951614041812 6 4    1713 5 4      C-13-H3C(O)CH3
  203713.2806  0.0569 -5.4983 3 1051.0744A00  595161404623528 0    623429 0      C-13-H3C(O)CH3
  203722.1067  0.0053 -6.4060 3   88.9023148  5951614041812 7 4    18 910 4      C-13-H3C(O)CH3
  203733.0594  0.0131 -4.9364 3  610.5615728  5951614044536 9 0    453510 0      C-13-H3C(O)CH3
  203733.0642  0.0131 -4.9364 3  610.5615728  595161404453610 0    453511 0      C-13-H3C(O)CH3
  203746.3636  0.1976 -5.9674 3 1308.1097B12  595161404693930 1    693831 1      C-13-H3C(O)CH3
  203750.5132  0.0144 -4.9363 3  610.5772728  5951614044536 9 1    453510 1      C-13-H3C(O)CH3
  203781.5746  0.0032 -4.6679 3   42.8600108 -59516140413 8 6 3    12 7 5 3      C-13-H3C(O)CH3
  203796.0407  0.0203 -5.1934 3  405.8432568  5951614043534 1 1    3533 2 1      C-13-H3C(O)CH3
  203821.9145  0.0039 -6.2070 3   78.0728280  5951614041711 7 0    17 810 0      C-13-H3C(O)CH3
  203822.1676  0.2638 -5.9671 3 1308.1146B12  595161404693930 2    693831 2      C-13-H3C(O)CH3
  203829.0651  0.0049 -4.6824 3  555.3695744  595161404462125 0    462026 0      C-13-H3C(O)CH3
  203829.2310  0.0049 -4.6824 3  555.3695744  595161404462225 0    462126 0      C-13-H3C(O)CH3
  203845.2376  0.0233 -5.4941 3  405.8111284  5951614043534 1 4    3533 2 4      C-13-H3C(O)CH3
  203851.0237  0.1289 -6.3408 3 1349.1133564  595161404704130 4    704031 4      C-13-H3C(O)CH3
  203851.7909  0.1279 -6.3408 3 1349.1133564  595161404704130 3    704031 3      C-13-H3C(O)CH3
  203853.1671  0.1370 -6.0398 3 1349.1046B28  595161404704130 2    704031 2      C-13-H3C(O)CH3
  203855.4736  0.2509 -6.2453 3 1451.9073B60  595161404724627 0    724528 0      C-13-H3C(O)CH3
  203861.7670  0.0066 -4.6821 3  555.3479744  595161404462125 2    462026 2      C-13-H3C(O)CH3
  203861.9505  0.0066 -4.6821 3  555.3479744  595161404462225 2    462126 2      C-13-H3C(O)CH3
  203868.3108  0.0053 -4.6821 3  555.3494744  595161404462125 1    462026 1      C-13-H3C(O)CH3
  203868.4896  0.0053 -4.6821 3  555.3494744  595161404462225 1    462126 1      C-13-H3C(O)CH3
  203872.0073  0.1603 -6.0397 3 1349.1004B28  595161404704130 1    704031 1      C-13-H3C(O)CH3
  203874.3027  0.1639 -6.0397 3 1349.0918B28  595161404704130 0    704031 0      C-13-H3C(O)CH3
  203901.0896  0.0068 -4.9829 3  555.3278372  595161404462125 3    462026 3      C-13-H3C(O)CH3
  203901.1550  0.0068 -4.9829 3  555.3278372  595161404462125 4    462026 4      C-13-H3C(O)CH3
  203901.2848  0.0078 -6.0899 3   97.4217312  5951614041911 8 2    19 811 2      C-13-H3C(O)CH3
  203901.2873  0.0068 -4.9829 3  555.3278372  595161404462225 3    462126 3      C-13-H3C(O)CH3
  203901.3516  0.0068 -4.9829 3  555.3278372  595161404462225 4    462126 4      C-13-H3C(O)CH3
  203931.3186  0.2026 -5.9667 3 1308.1016B12  595161404693930 0    693831 0      C-13-H3C(O)CH3
  203941.4296  0.4387 -6.6111 3 1650.5786C40  595161404774830 0    774731 0      C-13-H3C(O)CH3
  203955.0747  0.0078 -6.0866 3   97.3998312  5951614041911 8 0    19 811 0      C-13-H3C(O)CH3
  203956.4550  0.9046 -6.7999 3 1742.5062C72  595161404795029 1    794930 1      C-13-H3C(O)CH3
  203960.1638  0.0105 -6.4636 3   93.5870296  5951614041814 5 2    1811 8 2      C-13-H3C(O)CH3
  203963.5376  0.0035 -4.3668 3   42.8110216 -59516140413 8 6 1    12 7 5 1      C-13-H3C(O)CH3
  203964.6107  0.3680 -6.2457 3 1451.9252B60  595161404724627 2    724528 2      C-13-H3C(O)CH3
  203967.9867  1.1089 -7.1023 3 1742.5093636  595161404795029 3    794930 3      C-13-H3C(O)CH3
  203972.0506  0.5532 -6.6111 3 1650.5849C40  595161404774830 2    774731 2      C-13-H3C(O)CH3
  203973.5444  1.0346 -7.1030 3 1742.5089636  595161404795029 4    794930 4      C-13-H3C(O)CH3
  203993.4668  0.1329 -5.7834 3 1194.3789A48  595161404654323 0    654224 0      C-13-H3C(O)CH3
  203994.6294  0.0039 -6.3950 3   88.9023148  5951614041812 7 3    18 910 3      C-13-H3C(O)CH3
  204000.9738  0.0975 -6.0586 3 1195.6878532  595161404663829 4    663730 4      C-13-H3C(O)CH3
  204001.7305  0.0967 -6.0586 3 1195.6878532  595161404663829 3    663730 3      C-13-H3C(O)CH3
  204019.2411  0.2020 -6.3418 3 1511.3207B92  595161404744431 2    744332 2      C-13-H3C(O)CH3
  204020.4844  0.2693 -6.3418 3 1511.3115B92  595161404744431 0    744332 0      C-13-H3C(O)CH3
  204022.4074  0.1826 -5.9135 3 1266.3563A80  595161404674423 0    674324 0      C-13-H3C(O)CH3
  204028.5047  0.0129 -6.6714 3   93.6104148  5951614041814 5 3    1811 8 3      C-13-H3C(O)CH3
  204037.4725  0.0985 -5.7574 3 1195.6735A64  595161404663829 1    663730 1      C-13-H3C(O)CH3
  204038.0484  0.0971 -5.7574 3 1195.6767A64  595161404663829 2    663730 2      C-13-H3C(O)CH3
  204051.7100  0.0078 -6.3963 3   97.4457156  5951614041911 8 3    19 811 3      C-13-H3C(O)CH3
  204069.3527  0.0039 -4.3662 3   42.8063216 -59516140413 8 6 2    12 7 5 2      C-13-H3C(O)CH3
  204074.6708  0.0987 -5.7573 3 1195.6625A64  595161404663829 0    663730 0      C-13-H3C(O)CH3
  204074.7900  0.9780 -6.9120 3 1806.9183D04  595161404814734 1    814635 1      C-13-H3C(O)CH3
  204084.3667  0.0115 -6.3963 3   97.4458156  5951614041911 8 4    19 811 4      C-13-H3C(O)CH3
  204085.4485  0.2535 -6.2447 3 1451.9337B60  595161404724627 1    724528 1      C-13-H3C(O)CH3
  204087.5831  0.1507 -6.6427 3 1511.3256596  595161404744431 4    744332 4      C-13-H3C(O)CH3
  204087.6375  0.1510 -6.6427 3 1511.3256596  595161404744431 3    744332 3      C-13-H3C(O)CH3
  204088.7408  0.2545 -6.3416 3 1511.3163B92  595161404744431 1    744332 1      C-13-H3C(O)CH3
  204111.3716  1.1849 -7.2129 3 1806.9200652  595161404814734 4    814635 4      C-13-H3C(O)CH3
  204111.5907  1.1866 -7.2129 3 1806.9200652  595161404814734 3    814635 3      C-13-H3C(O)CH3
  204119.1428  0.0078 -6.0920 3   97.4238312  5951614041911 8 1    19 811 1      C-13-H3C(O)CH3
  204122.1590  0.0103 -5.3669 3   32.4229184  59516140411 9 3 1    10 8 2 1      C-13-H3C(O)CH3
  204141.4236  0.0020 -4.1114 3   67.1540156 -59516140419 317 4    18 216 4      C-13-H3C(O)CH3
  204141.4236  0.0021 -4.1115 3   67.1540156 -59516140419 317 3    18 216 3      C-13-H3C(O)CH3
  204141.4236  0.0020 -4.1114 3   67.1540156 -59516140419 217 4    18 316 4      C-13-H3C(O)CH3
  204141.4236  0.0021 -4.1114 3   67.1540156 -59516140419 217 3    18 316 3      C-13-H3C(O)CH3
  204142.4517  0.0042 -6.0947 3   88.8773296  5951614041812 7 1    18 910 1      C-13-H3C(O)CH3
  204152.0040  0.1327 -5.7844 3 1194.4170A48  595161404654323 1    654224 1      C-13-H3C(O)CH3
  204155.1177  0.1356 -5.7850 3 1194.4130A48  595161404654323 2    654224 2      C-13-H3C(O)CH3
  204176.2469  0.0022 -3.8103 3   67.0998312 -59516140419 217 1    18 316 1      C-13-H3C(O)CH3
  204176.2469  0.0021 -3.8103 3   67.0993312 -59516140419 217 2    18 316 2      C-13-H3C(O)CH3
  204176.2469  0.0021 -3.8102 3   67.0993312 -59516140419 317 2    18 216 2      C-13-H3C(O)CH3
  204176.2469  0.0022 -3.8102 3   67.0998312 -59516140419 317 1    18 216 1      C-13-H3C(O)CH3
  204176.4739  0.0057 -6.6661 3   67.9468132  5951614041610 7 4    16 710 4      C-13-H3C(O)CH3
  204182.1260  0.1766 -5.9167 3 1266.3867A80  595161404674423 2    674324 2      C-13-H3C(O)CH3
  204182.2823  0.1818 -5.9138 3 1266.3934A80  595161404674423 1    674324 1      C-13-H3C(O)CH3
  204187.3508  0.3639 -6.5466 3 1451.9516580  595161404724627 3    724528 3      C-13-H3C(O)CH3
  204198.2901  0.2391 -7.2849 3 1027.2057968  595161404604120 2    604020 2      C-13-H3C(O)CH3
  204198.6510  0.0030 -4.6154 3   30.9891 92  59516140411 8 3 3    10 7 4 3      C-13-H3C(O)CH3
  204200.2572  0.4098 -6.6104 3 1650.5910C40  595161404774830 1    774731 1      C-13-H3C(O)CH3
  204200.8798  0.3757 -6.5458 3 1451.9517580  595161404724627 4    724528 4      C-13-H3C(O)CH3
  204211.0204  0.0019 -3.8101 3   67.0453312 -59516140419 317 0    18 216 0      C-13-H3C(O)CH3
  204211.0204  0.0019 -3.8101 3   67.0453312 -59516140419 217 0    18 316 0      C-13-H3C(O)CH3
  204222.5180  0.0232 -6.8290 3  302.8493536  595161404332013 2    322310 2      C-13-H3C(O)CH3
  204225.4234  0.0132 -5.6067 3  100.4885156  5951614041913 6 4    1814 4 4      C-13-H3C(O)CH3
  204226.0099  0.4837 -6.9115 3 1650.5973620  595161404774830 3    774731 3      C-13-H3C(O)CH3
  204228.9211  0.0042 -6.0929 3   88.8750296  5951614041812 7 2    18 910 2      C-13-H3C(O)CH3
  204232.8067  0.2064 -7.2554 3 1027.2023968  595161404604120 1    604020 1      C-13-H3C(O)CH3
  204233.7112  0.0297 -5.7549 3  389.3391276  5951614043434 1 4    3433 2 4      C-13-H3C(O)CH3
  204233.8703  0.0032 -4.7106 3  313.6760292 -595161404361224 3    361125 3      C-13-H3C(O)CH3
  204233.8703  0.0034 -4.7106 3  313.6760292 -595161404361224 4    361125 4      C-13-H3C(O)CH3
  204233.8703  0.0034 -4.7106 3  313.6760292 -595161404361324 4    361225 4      C-13-H3C(O)CH3
  204233.8703  0.0032 -4.7106 3  313.6760292 -595161404361324 3    361225 3      C-13-H3C(O)CH3
  204235.1712  0.4747 -6.9113 3 1650.5974620  595161404774830 4    774731 4      C-13-H3C(O)CH3
  204241.3239  0.0044 -6.6654 3   67.9468132  5951614041610 7 3    16 710 3      C-13-H3C(O)CH3
  204257.3985  0.0157 -7.1072 3  634.1440808  595161404502030 1    492327 1      C-13-H3C(O)CH3
  204257.4313  0.0157 -7.1072 3  634.1440808  595161404502130 1    492227 1      C-13-H3C(O)CH3
  204262.9288  0.0240 -5.4541 3  389.4108552  5951614043434 1 2    3433 2 2      C-13-H3C(O)CH3
  204267.9894  0.0177 -7.1056 3  634.1428808  595161404502030 2    492327 2      C-13-H3C(O)CH3
  204268.0225  0.0177 -7.1056 3  634.1428808  595161404502130 2    492227 2      C-13-H3C(O)CH3
  204275.4574  0.1405 -6.0839 3 1194.4530524  595161404654323 3    654224 3      C-13-H3C(O)CH3
  204277.9138  0.0033 -4.4093 3  313.6980584 -595161404361324 2    361225 2      C-13-H3C(O)CH3
  204277.9138  0.0033 -4.4093 3  313.6980584 -595161404361224 2    361125 2      C-13-H3C(O)CH3
  204284.4446  0.0033 -4.4094 3  313.6994584 -595161404361224 1    361125 1      C-13-H3C(O)CH3
  204284.4446  0.0033 -4.4094 3  313.6994584 -595161404361324 1    361225 1      C-13-H3C(O)CH3
  204297.3730  0.0039 -4.3648 3   42.7566216 -59516140413 8 6 0    12 7 5 0      C-13-H3C(O)CH3
  204309.4770  0.0124 -7.1068 3  634.1576808  595161404502030 0    492327 0      C-13-H3C(O)CH3
  204309.5063  0.0124 -7.1068 3  634.1576808  595161404502130 0    492227 0      C-13-H3C(O)CH3
  204317.7029  0.1712 -6.2216 3 1266.4247540  595161404674423 4    674324 4      C-13-H3C(O)CH3
  204320.8357  0.0124 -6.9873 3   93.6104148  5951614041814 4 3    1811 8 3      C-13-H3C(O)CH3
  204328.3012  0.0029 -4.4091 3  313.7214584 -595161404361324 0    361225 0      C-13-H3C(O)CH3
  204328.3012  0.0029 -4.4091 3  313.7214584 -595161404361224 0    361125 0      C-13-H3C(O)CH3
  204349.3373  0.1601 -6.0874 3 1194.4495524  595161404654323 4    654224 4      C-13-H3C(O)CH3
  204354.7962  0.0118 -5.2890 3   32.4219184  59516140411 9 3 2    10 8 2 2      C-13-H3C(O)CH3
  204355.4348  1.0106 -6.9110 3 1806.9277D04  595161404814734 0    814635 0      C-13-H3C(O)CH3
  204364.0288  0.2161 -6.2146 3 1266.4231540  595161404674423 3    674324 3      C-13-H3C(O)CH3
  204376.3218  0.0803 -5.8011 3 1027.2549484  595161404604119 4    604020 4      C-13-H3C(O)CH3
  204391.5024  1.2899 -6.9110 3 1806.9294D04  595161404814734 2    814635 2      C-13-H3C(O)CH3
  204413.5143  0.0957 -5.5055 3 1027.2023968  595161404604119 1    604020 1      C-13-H3C(O)CH3
  204437.5569  0.0842 -5.4977 3 1027.1559968  595161404604119 0    604020 0      C-13-H3C(O)CH3
  204445.4313  0.0171 -5.2238 3  501.8465324  5951614044035 6 4    4034 7 4      C-13-H3C(O)CH3
  204453.0025  0.0045 -6.3597 3   67.9087264  5951614041610 7 2    16 710 2      C-13-H3C(O)CH3
  204456.1380  0.0044 -6.3611 3   67.9101264  5951614041610 7 1    16 710 1      C-13-H3C(O)CH3
  204457.0183  0.0100 -5.3986 3  100.4533312  5951614041913 6 2    1814 4 2      C-13-H3C(O)CH3
  204460.2750  0.0026 -4.3084 3   30.8859184 -59516140411 8 3 0    10 7 4 0      C-13-H3C(O)CH3
  204467.1594  0.0780 -5.5048 3 1027.2057968  595161404604119 2    604020 2      C-13-H3C(O)CH3
  204471.3009  0.0197 -6.8243 3  302.8697536  595161404332013 0    322310 0      C-13-H3C(O)CH3
  204487.4598  0.0260 -5.4535 3  389.4073552  5951614043434 1 1    3433 2 1      C-13-H3C(O)CH3
  204503.2818  0.0130 -4.9229 3  501.8869648  5951614044035 6 2    4034 7 2      C-13-H3C(O)CH3
  204515.9025  0.0038 -6.0875 3   88.8501296  5951614041812 7 0    18 910 0      C-13-H3C(O)CH3
  204518.1759  0.0222 -5.4537 3  389.4791552  5951614043434 1 0    3433 1 0      C-13-H3C(O)CH3
  204518.1759  0.0222 -5.4537 3  389.4791552  5951614043434 0 0    3433 2 0      C-13-H3C(O)CH3
  204537.8323  0.0277 -5.7542 3  389.3944276  5951614043434 0 3    3433 1 3      C-13-H3C(O)CH3
  204540.1316  0.2154 -6.5389 3 1027.2403484  595161404604120 3    604020 3      C-13-H3C(O)CH3
  204554.0027  0.0159 -5.2235 3  501.8678324  5951614044035 6 3    4034 7 3      C-13-H3C(O)CH3
  204565.4672  0.0038 -4.3573 3   30.9352184 -59516140411 8 3 2    10 7 4 2      C-13-H3C(O)CH3
  204575.4627  0.0276 -5.7540 3  389.3702276  5951614043434 1 3    3433 2 3      C-13-H3C(O)CH3
  204591.6073  0.0097 -5.4830 3  128.0011344  5951614042116 6 0    2017 3 0      C-13-H3C(O)CH3
  204606.5683  0.0237 -5.4532 3  389.4419552  5951614043434 0 2    3433 1 2      C-13-H3C(O)CH3
  204609.0503  0.0103 -4.9395 3  725.1715840  595161404522626 0    522527 0      C-13-H3C(O)CH3
  204609.3499  0.0102 -5.3744 3  100.4513312  5951614041913 6 1    1814 4 1      C-13-H3C(O)CH3
  204613.2900  0.0125 -4.9226 3  501.9081648  5951614044035 5 2    4034 6 2      C-13-H3C(O)CH3
  204614.6878  0.0140 -4.9225 3  501.8709648  5951614044035 6 1    4034 7 1      C-13-H3C(O)CH3
  204614.7531  0.0156 -6.3659 3  127.9559344  5951614042116 6 1    2113 8 1      C-13-H3C(O)CH3
  204616.6970  0.0103 -4.9394 3  725.1715840  595161404522726 0    522627 0      C-13-H3C(O)CH3
  204624.9430  0.0157 -4.9393 3  725.1654840  595161404522626 2    522527 2      C-13-H3C(O)CH3
  204629.3182  0.0113 -4.9392 3  725.1661840  595161404522626 1    522527 1      C-13-H3C(O)CH3
  204632.6544  0.0832 -5.4969 3 1027.1485968  595161404604120 0    604021 0      C-13-H3C(O)CH3
  204633.2058  0.0155 -4.9392 3  725.1654840  595161404522726 2    522627 2      C-13-H3C(O)CH3
  204633.2189  0.0154 -5.2234 3  501.8857324  5951614044035 5 3    4034 6 3      C-13-H3C(O)CH3
  204633.8714  0.1238 -5.8854 3 1027.2403484  595161404604119 3    604020 3      C-13-H3C(O)CH3
  204637.0519  0.0037 -4.3695 3   30.9344184 -59516140411 8 3 1    10 7 4 1      C-13-H3C(O)CH3
  204637.5323  0.0113 -4.9392 3  725.1662840  595161404522726 1    522627 1      C-13-H3C(O)CH3
  204645.2210  0.0163 -5.2401 3  725.1600420  595161404522626 3    522527 3      C-13-H3C(O)CH3
  204645.3190  0.0164 -5.2401 3  725.1600420  595161404522626 4    522527 4      C-13-H3C(O)CH3
  204654.0985  0.0162 -5.2401 3  725.1601420  595161404522726 3    522627 3      C-13-H3C(O)CH3
  204654.1659  0.0163 -5.2401 3  725.1601420  595161404522726 4    522627 4      C-13-H3C(O)CH3
  204674.2501  0.0127 -4.9226 3  501.9112648  5951614044035 6 0    4034 7 0      C-13-H3C(O)CH3
  204674.2501  0.0127 -4.9226 3  501.9112648  5951614044035 5 0    4034 6 0      C-13-H3C(O)CH3
  204674.2751  0.0097 -5.4826 3  128.0011344  5951614042116 5 0    2017 4 0      C-13-H3C(O)CH3
  204700.0486  0.0043 -6.3560 3   67.8720264  5951614041610 7 0    16 710 0      C-13-H3C(O)CH3
  204732.8090  0.0088 -5.4818 3  128.0186344  5951614042116 5 2    2017 3 2      C-13-H3C(O)CH3
  204742.2853  0.0151 -5.2231 3  501.9068324  5951614044035 5 4    4034 6 4      C-13-H3C(O)CH3
  204774.0868  0.1080 -5.8848 3 1027.2325484  595161404604120 3    604021 3      C-13-H3C(O)CH3
  204774.8352  0.0838 -5.5042 3 1027.1843968  595161404604120 1    604021 1      C-13-H3C(O)CH3
  204794.2046  0.0242 -5.4528 3  389.4627552  5951614043434 0 1    3433 1 1      C-13-H3C(O)CH3
  204802.8057  0.0235 -7.2329 3  302.8465536  595161404332013 1    3223 9 1      C-13-H3C(O)CH3
  204803.6900  0.0095 -6.2324 3  102.6863312  5951614041914 6 1    1911 9 1      C-13-H3C(O)CH3
  204804.0369  0.0125 -4.9221 3  501.9100648  5951614044035 5 1    4034 6 1      C-13-H3C(O)CH3
  204823.7448  0.0905 -5.5036 3 1027.1848968  595161404604120 2    604021 2      C-13-H3C(O)CH3
  204867.8265  0.2489 -6.5375 3 1027.2325484  595161404604119 3    604021 3      C-13-H3C(O)CH3
  204882.4039  0.0281 -5.7533 3  389.4254276  5951614043434 0 4    3433 1 4      C-13-H3C(O)CH3
  204887.9208  0.0032 -4.6981 3  292.0185284 -595161404351224 3    351125 3      C-13-H3C(O)CH3
  204887.9208  0.0035 -4.6981 3  292.0185284 -595161404351124 4    351025 4      C-13-H3C(O)CH3
  204887.9208  0.0032 -4.6981 3  292.0185284 -595161404351124 3    351025 3      C-13-H3C(O)CH3
  204887.9208  0.0035 -4.6982 3  292.0185284 -595161404351224 4    351125 4      C-13-H3C(O)CH3
  204908.8687  0.0195 -6.7759 3  127.9666172  5951614042116 6 3    2113 8 3      C-13-H3C(O)CH3
  204947.6985  0.0095 -5.4808 3  128.0087344  5951614042116 5 1    2017 3 1      C-13-H3C(O)CH3
  204952.0452  0.0032 -4.3967 3  292.0371568 -595161404351124 2    351025 2      C-13-H3C(O)CH3
  204952.0452  0.0032 -4.3966 3  292.0371568 -595161404351224 2    351125 2      C-13-H3C(O)CH3
  204955.5429  0.2404 -7.2518 3 1027.1843968  595161404604119 1    604021 1      C-13-H3C(O)CH3
  204958.2425  0.0033 -4.3968 3  292.0383568 -595161404351224 1    351125 1      C-13-H3C(O)CH3
  204958.2425  0.0033 -4.3968 3  292.0383568 -595161404351124 1    351025 1      C-13-H3C(O)CH3
  205022.1374  0.0029 -4.3963 3  292.0569568 -595161404351124 0    351025 0      C-13-H3C(O)CH3
  205022.1374  0.0029 -4.3964 3  292.0569568 -595161404351224 0    351125 0      C-13-H3C(O)CH3
  205031.0384  0.1030 -5.7989 3 1027.2181484  595161404604120 4    604021 4      C-13-H3C(O)CH3
  205045.7152  0.0092 -5.4807 3  127.9542344  5951614042116 6 2    2017 4 2      C-13-H3C(O)CH3
  205048.0016  0.0127 -5.7804 3  128.0262172  5951614042116 5 4    2017 3 4      C-13-H3C(O)CH3
  205056.1296  0.6912 -6.6355 3 1657.8231C40  595161404774928 0    774829 0      C-13-H3C(O)CH3
  205067.7293  0.0150 -6.9500 3   84.9146140  5951614041714 4 4    1711 7 4      C-13-H3C(O)CH3
  205073.8455  0.0093 -5.4811 3  127.9406344  5951614042116 6 1    2017 4 1      C-13-H3C(O)CH3
  205084.6165  0.0353 -5.4982 3  881.1136460  595161404573027 3    572928 3      C-13-H3C(O)CH3
  205084.7316  0.0355 -5.4982 3  881.1136460  595161404573027 4    572928 4      C-13-H3C(O)CH3
  205092.6142  0.3007 -7.2807 3 1027.1848968  595161404604119 2    604021 2      C-13-H3C(O)CH3
  205102.1609  0.0346 -5.1972 3  881.1084920  595161404573027 2    572928 2      C-13-H3C(O)CH3
  205102.3337  0.0264 -5.1972 3  881.1079920  595161404573027 1    572928 1      C-13-H3C(O)CH3
  205113.7678  0.0058 -7.0629 3   49.3145116  59516140414 7 7 3    14 410 3      C-13-H3C(O)CH3
  205119.6382  0.0254 -5.1972 3  881.1028920  595161404573027 0    572928 0      C-13-H3C(O)CH3
  205121.9398  0.0079 -5.1982 3  100.4146312  5951614041913 6 0    1814 5 0      C-13-H3C(O)CH3
  205125.8140  0.8248 -6.6381 3 1657.8298C40  595161404774928 2    774829 2      C-13-H3C(O)CH3
  205131.3847  0.0081 -7.0628 3   49.3145116  59516140414 7 7 4    14 410 4      C-13-H3C(O)CH3
  205132.8698  0.2314 -6.0442 3 1340.4008B12  595161404694524 0    694425 0      C-13-H3C(O)CH3
  205168.2423  0.0103 -5.7895 3  127.9580172  5951614042116 6 3    2017 4 3      C-13-H3C(O)CH3
  205172.7422  0.0055 -4.7812 3   30.9791 92  59516140411 8 3 4    10 7 4 4      C-13-H3C(O)CH3
  205182.1124  0.0082 -6.3732 3  102.7039156  5951614041914 6 3    1911 9 3      C-13-H3C(O)CH3
  205183.0831  0.0339 -5.4978 3  881.1140460  595161404573127 4    573028 4      C-13-H3C(O)CH3
  205183.1629  0.0337 -5.4978 3  881.1140460  595161404573127 3    573028 3      C-13-H3C(O)CH3
  205190.2315  0.0093 -6.2225 3  102.6831312  5951614041914 6 2    1911 9 2      C-13-H3C(O)CH3
  205194.5277  0.0328 -5.1968 3  881.1088920  595161404573127 2    573028 2      C-13-H3C(O)CH3
  205195.2547  0.0263 -5.1968 3  881.1083920  595161404573127 1    573028 1      C-13-H3C(O)CH3
  205197.9665  0.0045 -4.6402 3  527.9047728  595161404452025 0    451926 0      C-13-H3C(O)CH3
  205198.0196  0.0045 -4.6402 3  527.9047728  595161404452125 0    452026 0      C-13-H3C(O)CH3
  205201.3547  0.0243 -7.0338 3  302.8332536  595161404332013 1    322310 1      C-13-H3C(O)CH3
  205206.7283  0.0251 -5.1969 3  881.1031920  595161404573127 0    573028 0      C-13-H3C(O)CH3
  205217.6346  0.3799 -6.4825 3 1425.4912580  595161404724131 3    724032 3      C-13-H3C(O)CH3
  205217.7387  0.3784 -6.4825 3 1425.4912580  595161404724131 4    724032 4      C-13-H3C(O)CH3
  205222.1688  0.0186 -6.5215 3  127.9666172  5951614042116 5 3    2113 8 3      C-13-H3C(O)CH3
  205225.2836  0.0024 -4.1522 3   68.9967164  59516140420 219 3    19 118 3      C-13-H3C(O)CH3
  205225.2836  0.0024 -4.7512 3   68.9967164  59516140420 119 3    19 118 3      C-13-H3C(O)CH3
  205225.3132  0.0024 -4.0553 3   68.9967164  59516140420 219 4    19 218 4      C-13-H3C(O)CH3
  205225.3132  0.0024 -6.8935 3   68.9967164  59516140420 119 4    19 218 4      C-13-H3C(O)CH3
  205225.3324  0.0024 -4.7512 3   68.9967164 -59516140420 219 3    19 218 3      C-13-H3C(O)CH3
  205225.3324  0.0024 -6.8935 3   68.9967164 -59516140420 219 4    19 118 4      C-13-H3C(O)CH3
  205225.3324  0.0024 -4.0553 3   68.9967164 -59516140420 119 4    19 118 4      C-13-H3C(O)CH3
  205225.3324  0.0024 -4.1522 3   68.9967164 -59516140420 119 3    19 218 3      C-13-H3C(O)CH3
  205230.1317  0.0058 -4.6399 3  527.8808728  595161404452025 2    451926 2      C-13-H3C(O)CH3
  205230.1909  0.0058 -4.6399 3  527.8808728  595161404452125 2    452026 2      C-13-H3C(O)CH3
  205236.6377  0.0049 -4.6399 3  527.8825728  595161404452025 1    451926 1      C-13-H3C(O)CH3
  205236.6951  0.0049 -4.6399 3  527.8825728  595161404452125 1    452026 1      C-13-H3C(O)CH3
  205246.7220  0.0026 -4.1368 3   68.9352328  59516140420 119 1    19 218 1      C-13-H3C(O)CH3
  205246.7220  0.0026 -3.9853 3   68.9352328  59516140420 219 1    19 218 1      C-13-H3C(O)CH3
  205246.8103  0.0025 -3.9028 3   68.9347328 -59516140420 219 2    19 218 2      C-13-H3C(O)CH3
  205246.8103  0.0026 -3.9853 3   68.9352328 -59516140420 119 1    19 118 1      C-13-H3C(O)CH3
  205246.8103  0.0025 -4.2897 3   68.9347328 -59516140420 119 2    19 218 2      C-13-H3C(O)CH3
  205246.8103  0.0026 -4.1368 3   68.9352328 -59516140420 219 1    19 118 1      C-13-H3C(O)CH3
  205246.8540  0.0025 -4.2897 3   68.9347328  59516140420 219 2    19 118 2      C-13-H3C(O)CH3
  205246.8540  0.0025 -3.9028 3   68.9347328  59516140420 119 2    19 118 2      C-13-H3C(O)CH3
  205268.2312  0.0023 -3.7561 3   68.8734328  59516140420 219 0    19 118 0      C-13-H3C(O)CH3
  205268.2312  0.0023 -3.7561 3   68.8734328  59516140420 119 0    19 218 0      C-13-H3C(O)CH3
  205268.2452  0.0023 -5.9469 3   68.8734328 -59516140420 219 0    19 218 0      C-13-H3C(O)CH3
  205268.2452  0.0023 -5.9469 3   68.8734328 -59516140420 119 0    19 118 0      C-13-H3C(O)CH3
  205268.8788  0.0060 -4.9407 3  527.8585364  595161404452025 3    451926 3      C-13-H3C(O)CH3
  205268.9270  0.0060 -4.9407 3  527.8585364  595161404452025 4    451926 4      C-13-H3C(O)CH3
  205268.9428  0.0060 -4.9407 3  527.8585364  595161404452125 3    452026 3      C-13-H3C(O)CH3
  205268.9906  0.0060 -4.9407 3  527.8585364  595161404452125 4    452026 4      C-13-H3C(O)CH3
  205275.0655  0.0065 -6.7564 3   49.2646232  59516140414 7 7 2    14 410 2      C-13-H3C(O)CH3
  205296.6285  0.0076 -6.1982 3   93.5666296  5951614041814 5 0    1811 8 0      C-13-H3C(O)CH3
  205297.4529  0.0151 -6.3668 3  127.9458344  5951614042116 6 2    2113 8 2      C-13-H3C(O)CH3
  205298.0131  0.2273 -6.0525 3 1340.4265B12  595161404694524 2    694425 2      C-13-H3C(O)CH3
  205306.4579  0.0202 -5.3065 3  684.6127388  595161404483711 4    483612 4      C-13-H3C(O)CH3
  205318.6134  0.3029 -6.1811 3 1425.4802B60  595161404724131 1    724032 1      C-13-H3C(O)CH3
  205324.3478  0.2276 -6.0456 3 1340.4347B12  595161404694524 1    694425 1      C-13-H3C(O)CH3
  205327.3031  0.0167 -5.3064 3  684.5880388  595161404483712 3    483613 3      C-13-H3C(O)CH3
  205337.6605  0.0154 -5.0054 3  684.5869776  595161404483711 2    483612 2      C-13-H3C(O)CH3
  205354.3331  0.0064 -6.7579 3   49.2655232  59516140414 7 7 1    14 410 1      C-13-H3C(O)CH3
  205367.4246  0.0099 -5.7880 3  127.9618172  5951614042116 5 3    2017 3 3      C-13-H3C(O)CH3
  205381.5956  0.6783 -6.6344 3 1657.8386C40  595161404774928 1    774829 1      C-13-H3C(O)CH3
  205437.1220  0.4025 -6.1807 3 1425.4863B60  595161404724131 2    724032 2      C-13-H3C(O)CH3
  205444.7111  0.8453 -6.9370 3 1657.8455620  595161404774928 3    774829 3      C-13-H3C(O)CH3
  205448.4968  0.0154 -5.0051 3  684.5746776  595161404483711 1    483612 1      C-13-H3C(O)CH3
  205457.9811  0.7562 -6.9392 3 1657.8451620  595161404774928 4    774829 4      C-13-H3C(O)CH3
  205464.8419  0.0169 -5.3060 3  684.5917388  595161404483711 3    483612 3      C-13-H3C(O)CH3
  205467.6068  0.0068 -4.5138 3   32.4481 92 -59516140411 9 3 3    10 8 2 3      C-13-H3C(O)CH3
  205468.3676  0.0140 -5.0050 3  684.5499776  595161404483712 1    483613 1      C-13-H3C(O)CH3
  205479.3526  0.0137 -5.0051 3  684.5488776  595161404483711 0    483612 0      C-13-H3C(O)CH3
  205479.4136  0.0137 -5.0051 3  684.5488776  595161404483712 0    483613 0      C-13-H3C(O)CH3
  205483.2449  0.0036 -6.9280 3  270.9474276  595161404341024 4    341025 4      C-13-H3C(O)CH3
  205483.2449  0.0036 -6.9277 3  270.9474276  595161404341124 4    34 925 4      C-13-H3C(O)CH3
  205483.3089  0.0036 -4.6928 3  270.9474276 -595161404341024 4    34 925 4      C-13-H3C(O)CH3
  205483.3089  0.0032 -4.6904 3  270.9474276 -595161404341124 3    341025 3      C-13-H3C(O)CH3
  205483.3089  0.0036 -4.6928 3  270.9474276 -595161404341124 4    341025 4      C-13-H3C(O)CH3
  205483.3089  0.0032 -4.6904 3  270.9474276 -595161404341024 3    34 925 3      C-13-H3C(O)CH3
  205483.4806  0.0109 -5.7796 3  127.8937172  5951614042116 6 4    2017 4 4      C-13-H3C(O)CH3
  205484.6089  0.0157 -5.3059 3  684.5669388  595161404483712 4    483613 4      C-13-H3C(O)CH3
  205484.6503  0.2361 -6.3640 3 1340.4608556  595161404694524 4    694425 4      C-13-H3C(O)CH3
  205492.2918  0.2804 -6.3466 3 1340.4603556  595161404694524 3    694425 3      C-13-H3C(O)CH3
  205494.9453  0.0141 -5.0050 3  684.5659776  595161404483712 2    483613 2      C-13-H3C(O)CH3
  205506.8978  0.0061 -6.7524 3   49.2157232  59516140414 7 7 0    14 410 0      C-13-H3C(O)CH3
  205537.0190  0.3119 -6.1803 3 1425.4753B60  595161404724131 0    724032 0      C-13-H3C(O)CH3
  205569.8285  0.0031 -4.3888 3  270.9616552 -595161404341024 2    34 925 2      C-13-H3C(O)CH3
  205569.8285  0.0031 -4.3888 3  270.9616552 -595161404341124 2    341025 2      C-13-H3C(O)CH3
  205575.6369  0.0032 -6.4412 3  270.9627552  595161404341024 1    341025 1      C-13-H3C(O)CH3
  205575.6369  0.0032 -7.0121 3  270.9627552  595161404341124 1    34 925 1      C-13-H3C(O)CH3
  205575.6677  0.0032 -4.3899 3  270.9627552 -595161404341024 1    34 925 1      C-13-H3C(O)CH3
  205575.6677  0.0032 -4.3927 3  270.9627552 -595161404341124 1    341025 1      C-13-H3C(O)CH3
  205578.1588  0.4701 -6.7479 3 1728.1479C72  595161404794832 2    794733 2      C-13-H3C(O)CH3
  205584.2337  0.5081 -6.7479 3 1728.1449C72  595161404794832 0    794733 0      C-13-H3C(O)CH3
  205593.1253  0.0125 -5.9280 3  100.4258156  5951614041913 6 3    1814 4 3      C-13-H3C(O)CH3
  205595.2677  0.0158 -5.2292 3  589.1533356  5951614044436 9 3    443510 3      C-13-H3C(O)CH3
  205598.5769  0.8292 -6.9543 3 1674.9084628  595161404784533 4    784434 4      C-13-H3C(O)CH3
  205598.6645  0.8312 -6.9543 3 1674.9084628  595161404784533 3    784434 3      C-13-H3C(O)CH3
  205626.1364  0.0149 -5.2291 3  589.1332356  5951614044436 9 4    443510 4      C-13-H3C(O)CH3
  205626.8190  0.6798 -6.6531 3 1674.9036C56  595161404784533 1    784434 1      C-13-H3C(O)CH3
  205641.6538  0.0135 -4.9283 3  589.1721712  5951614044436 8 2    4435 9 2      C-13-H3C(O)CH3
  205651.6028  0.0166 -7.0881 3  434.2844648  595161404402219 2    392514 2      C-13-H3C(O)CH3
  205661.8635  0.0029 -4.3913 3  270.9770552 -595161404341124 0    341025 0      C-13-H3C(O)CH3
  205661.8635  0.0029 -4.3915 3  270.9770552 -595161404341024 0    34 925 0      C-13-H3C(O)CH3
  205661.8722  0.0029 -6.5253 3  270.9770552  595161404341024 0    341025 0      C-13-H3C(O)CH3
  205661.8722  0.0029 -6.5452 3  270.9770552  595161404341124 0    34 925 0      C-13-H3C(O)CH3
  205671.7520  0.0128 -4.9282 3  589.1521712  5951614044436 9 2    443510 2      C-13-H3C(O)CH3
  205685.5457  0.0171 -5.2291 3  589.1844356  5951614044436 8 4    4435 9 4      C-13-H3C(O)CH3
  205711.7787  0.0137 -4.9280 3  589.1342712  5951614044436 9 1    443510 1      C-13-H3C(O)CH3
  205716.9101  0.0157 -5.2290 3  589.1645356  5951614044436 8 3    4435 9 3      C-13-H3C(O)CH3
  205717.0581  0.0112 -6.5413 3   93.5893296  5951614041814 4 1    1811 8 1      C-13-H3C(O)CH3
  205718.4624  0.0161 -7.0883 3  434.2869648  595161404402219 1    392514 1      C-13-H3C(O)CH3
  205758.7420  0.0133 -4.9280 3  589.1530712  5951614044436 8 0    4435 9 0      C-13-H3C(O)CH3
  205758.7427  0.0133 -4.9280 3  589.1530712  5951614044436 9 0    443510 0      C-13-H3C(O)CH3
  205773.8085  0.3099 -7.0484 3 1728.1498636  595161404794832 3    794733 3      C-13-H3C(O)CH3
  205777.2906  0.3031 -7.0483 3 1728.1499636  595161404794832 4    794733 4      C-13-H3C(O)CH3
  205782.2167  0.4570 -6.7473 3 1728.1469C72  595161404794832 1    794733 1      C-13-H3C(O)CH3
  205796.6677  0.0114 -7.0338 3  474.6969348  595161404431825 4    422122 4      C-13-H3C(O)CH3
  205796.7567  0.0114 -7.0338 3  474.6969348  595161404431825 3    422122 3      C-13-H3C(O)CH3
  205801.4809  0.0115 -7.0338 3  474.6967348  595161404431925 4    422022 4      C-13-H3C(O)CH3
  205801.5876  0.0114 -7.0338 3  474.6967348  595161404431925 3    422022 3      C-13-H3C(O)CH3
  205803.2725  0.0141 -4.9278 3  589.1653712  5951614044436 8 1    4435 9 1      C-13-H3C(O)CH3
  205813.6970  0.0034 -5.5858 3   16.7007 76  595161404 9 4 5 3     8 3 6 3      C-13-H3C(O)CH3
  205815.9392  0.0109 -6.7335 3  474.7230696  595161404431825 1    422122 1      C-13-H3C(O)CH3
  205820.4484  0.0109 -6.7334 3  474.7228696  595161404431925 1    422022 1      C-13-H3C(O)CH3
  205823.7272  0.0033 -5.1362 3   32.4481 92  59516140411 9 2 3    10 8 2 3      C-13-H3C(O)CH3
  205827.2381  0.0044 -5.5857 3   16.7007 76  595161404 9 4 5 4     8 3 6 4      C-13-H3C(O)CH3
  205844.1031  0.0188 -5.2556 3  482.9658316  5951614043935 5 4    3934 6 4      C-13-H3C(O)CH3
  205846.3008  0.0115 -6.7313 3  474.7201696  595161404431825 2    422122 2      C-13-H3C(O)CH3
  205848.7427  0.0109 -6.5407 3   93.5870296  5951614041814 4 2    1811 8 2      C-13-H3C(O)CH3
  205850.9600  0.0115 -6.7313 3  474.7199696  595161404431925 2    422022 2      C-13-H3C(O)CH3
  205854.3497  0.2980 -6.1815 3 1416.5686B44  595161404714625 0    714526 0      C-13-H3C(O)CH3
  205862.7126  0.3046 -6.3853 3 1531.1486B92  595161404744728 0    744629 0      C-13-H3C(O)CH3
  205865.0911  0.0154 -7.0840 3  434.3047648  595161404402219 0    392514 0      C-13-H3C(O)CH3
  205865.3309  0.0095 -6.7321 3  474.7461696  595161404431825 0    422122 0      C-13-H3C(O)CH3
  205869.0281  0.8982 -6.6523 3 1674.9128C56  595161404784533 2    784434 2      C-13-H3C(O)CH3
  205869.6817  0.0095 -6.7320 3  474.7460696  595161404431925 0    422022 0      C-13-H3C(O)CH3
  205875.5418  0.0027 -4.4290 3   32.3735 92 -59516140411 9 3 4    10 8 3 4      C-13-H3C(O)CH3
  205881.4396  0.5175 -6.4770 3 1575.2784C08  595161404754827 0    754728 0      C-13-H3C(O)CH3
  205885.4564  0.0143 -5.6949 3  100.4160156  5951614041913 6 3    1814 5 3      C-13-H3C(O)CH3
  205895.0111  0.0141 -4.9547 3  483.0121632  5951614043935 5 2    3934 6 2      C-13-H3C(O)CH3
  205897.4151  0.7029 -6.6522 3 1674.9080C56  595161404784533 0    784434 0      C-13-H3C(O)CH3
  205921.7382  0.0054 -5.8199 3   19.3088 76  595161404 9 7 3 4     8 4 4 4      C-13-H3C(O)CH3
  205922.4562  0.5669 -6.7109 3 1547.7590604  595161404754332 3    754233 3      C-13-H3C(O)CH3
  205922.4576  0.5650 -6.7109 3 1547.7590604  595161404754332 4    754233 4      C-13-H3C(O)CH3
  205939.0120  0.4458 -6.3858 3 1531.1620B92  595161404744728 2    744629 2      C-13-H3C(O)CH3
  205958.0114  0.0027 -4.1166 3   32.3552184 -59516140411 9 3 0    10 8 2 0      C-13-H3C(O)CH3
  205967.9882  0.0042 -5.2833 3   16.6336152  595161404 9 4 5 2     8 3 6 2      C-13-H3C(O)CH3
  205984.3855  0.3594 -6.6587 3 1682.2897C56  595161404784732 2    784633 2      C-13-H3C(O)CH3
  205986.0664  0.4359 -6.6587 3 1682.2853C56  595161404784732 0    784633 0      C-13-H3C(O)CH3
  205994.2231  0.5929 -6.4812 3 1575.2895C08  595161404754827 2    754728 2      C-13-H3C(O)CH3
  205996.7957  0.4584 -6.4096 3 1547.7509C08  595161404754332 1    754233 1      C-13-H3C(O)CH3
  205998.8166  0.0041 -5.2835 3   16.6343152  595161404 9 4 5 1     8 3 6 1      C-13-H3C(O)CH3
  206002.8695  0.0169 -5.2552 3  482.9887316  5951614043935 5 3    3934 6 3      C-13-H3C(O)CH3
  206014.8018  0.3071 -6.1899 3 1416.5895B44  595161404714625 2    714526 2      C-13-H3C(O)CH3
  206024.2158  0.0038 -5.8724 3  250.4642268  595161404331024 4    33 825 4      C-13-H3C(O)CH3
  206024.2158  0.0038 -5.8424 3  250.4642268  59516140433 924 4    33 925 4      C-13-H3C(O)CH3
  206024.2608  0.0038 -4.7174 3  250.4642268 -595161404331024 4    33 925 4      C-13-H3C(O)CH3
  206024.2608  0.0038 -4.7196 3  250.4642268 -59516140433 924 4    33 825 4      C-13-H3C(O)CH3
  206024.2608  0.0033 -4.7006 3  250.4642268 -59516140433 924 3    33 825 3      C-13-H3C(O)CH3
  206024.2608  0.0033 -4.7008 3  250.4642268 -595161404331024 3    33 925 3      C-13-H3C(O)CH3
  206024.4231  0.0033 -6.2335 3  250.4642268  59516140433 924 3    33 925 3      C-13-H3C(O)CH3
  206024.4231  0.0033 -6.2269 3  250.4642268  595161404331024 3    33 825 3      C-13-H3C(O)CH3
  206035.0575  0.0151 -4.9543 3  482.9981632  5951614043935 5 1    3934 6 1      C-13-H3C(O)CH3
  206055.4065  0.0133 -4.9543 3  483.0350632  5951614043935 4 2    3934 5 2      C-13-H3C(O)CH3
  206057.2986  0.0164 -5.2551 3  483.0087316  5951614043935 4 3    3934 5 3      C-13-H3C(O)CH3
  206060.8872  0.0062 -6.8448 3   58.3384124  59516140415 9 7 4    15 610 4      C-13-H3C(O)CH3
  206060.9969  0.0466 -5.6466 3  934.5516460  595161404574017 4    573918 4      C-13-H3C(O)CH3
  206077.7495  0.2917 -6.1825 3 1416.5987B44  595161404714625 1    714526 1      C-13-H3C(O)CH3
  206083.1091  0.1588 -5.9049 3 1266.2747A80  595161404674424 0    674325 0      C-13-H3C(O)CH3
  206087.6433  0.0134 -4.9544 3  483.0444632  5951614043935 5 0    3934 6 0      C-13-H3C(O)CH3
  206087.6433  0.0134 -4.9544 3  483.0444632  5951614043935 4 0    3934 5 0      C-13-H3C(O)CH3
  206091.1328  0.0047 -6.8446 3   58.3384124  59516140415 9 7 3    15 610 3      C-13-H3C(O)CH3
  206096.5573  0.3057 -6.3847 3 1531.1713B92  595161404744728 1    744629 1      C-13-H3C(O)CH3
  206123.7824  0.0239 -6.6320 3  112.3193164  5951614042014 7 4    1915 4 4      C-13-H3C(O)CH3
  206125.8148  0.3901 -6.3257 3 1494.8607B76  595161404734726 0    734627 0      C-13-H3C(O)CH3
  206135.4524  0.0031 -4.4051 3  250.4731536 -595161404331024 2    33 925 2      C-13-H3C(O)CH3
  206135.4524  0.0031 -4.4044 3  250.4731536 -59516140433 924 2    33 825 2      C-13-H3C(O)CH3
  206135.4626  0.0031 -5.7608 3  250.4731536  595161404331024 2    33 825 2      C-13-H3C(O)CH3
  206135.4626  0.0031 -5.7759 3  250.4731536  59516140433 924 2    33 925 2      C-13-H3C(O)CH3
  206135.8699  0.2222 -6.9593 3 1682.2913628  595161404784732 3    784633 3      C-13-H3C(O)CH3
  206137.7571  0.2182 -6.9593 3 1682.2913628  595161404784732 4    784633 4      C-13-H3C(O)CH3
  206139.0024  0.3967 -6.6582 3 1682.2869C56  595161404784732 1    784633 1      C-13-H3C(O)CH3
  206140.8266  0.0032 -4.8442 3  250.4741536  59516140433 924 1    33 925 1      C-13-H3C(O)CH3
  206140.8266  0.0032 -4.8701 3  250.4741536  595161404331024 1    33 825 1      C-13-H3C(O)CH3
  206140.8600  0.0032 -4.5593 3  250.4741536 -595161404331024 1    33 925 1      C-13-H3C(O)CH3
  206140.8600  0.0032 -4.5726 3  250.4741536 -59516140433 924 1    33 825 1      C-13-H3C(O)CH3
  206146.2131  0.0041 -5.2821 3   16.5674152  595161404 9 4 5 0     8 3 6 0      C-13-H3C(O)CH3
  206155.0546  0.0020 -4.4252 3   32.4981 92 -59516140411 9 2 4    10 8 2 4      C-13-H3C(O)CH3
  206156.1616  0.0588 -5.3455 3  934.4962920  595161404574017 1    573918 1      C-13-H3C(O)CH3
  206167.2603  0.4298 -6.6865 3 1531.1846596  595161404744728 3    744629 3      C-13-H3C(O)CH3
  206167.7511  0.0059 -6.0349 3  102.6657312  5951614041914 6 0    1911 9 0      C-13-H3C(O)CH3
  206171.1223  0.6071 -6.4090 3 1547.7585C08  595161404754332 2    754233 2      C-13-H3C(O)CH3
  206171.3090  0.5073 -6.4764 3 1575.2992C08  595161404754827 1    754728 1      C-13-H3C(O)CH3
  206173.6650  0.0485 -5.3453 3  934.5047920  595161404574017 2    573918 2      C-13-H3C(O)CH3
  206175.3487  0.0028 -4.1435 3   32.3544184 -59516140411 9 3 1    10 8 3 1      C-13-H3C(O)CH3
  206177.7878  0.4470 -6.6859 3 1531.1848596  595161404744728 4    744629 4      C-13-H3C(O)CH3
  206197.2781  0.0075 -6.3445 3  100.2423156  5951614041913 7 4    191010 4      C-13-H3C(O)CH3
  206205.7358  0.0033 -5.1352 3   32.4235 92  59516140411 9 3 3    10 8 3 3      C-13-H3C(O)CH3
  206217.0546  0.0158 -5.2547 3  483.0315316  5951614043935 4 4    3934 5 4      C-13-H3C(O)CH3
  206220.0322  0.0028 -4.1482 3   32.3597184 -59516140411 9 3 2    10 8 3 2      C-13-H3C(O)CH3
  206226.6431  0.2239 -5.9083 3 1266.3057A80  595161404674424 2    674325 2      C-13-H3C(O)CH3
  206229.5684  0.3679 -6.4844 3 1416.6197572  595161404714625 3    714526 3      C-13-H3C(O)CH3
  206239.2312  0.0153 -6.8515 3   93.6091148  5951614041814 4 4    1811 8 4      C-13-H3C(O)CH3
  206244.8084  0.0024 -4.1418 3   32.4229184 -59516140411 9 2 1    10 8 2 1      C-13-H3C(O)CH3
  206245.0110  0.4734 -6.4087 3 1547.7504C08  595161404754332 0    754233 0      C-13-H3C(O)CH3
  206245.2250  0.3059 -6.4998 3 1416.6196572  595161404714625 4    714526 4      C-13-H3C(O)CH3
  206245.8541  0.1710 -5.9053 3 1266.3118A80  595161404674424 1    674325 1      C-13-H3C(O)CH3
  206250.0953  0.0133 -4.9538 3  483.0409632  5951614043935 4 1    3934 5 1      C-13-H3C(O)CH3
  206251.6644  0.0029 -6.2131 3  250.4830536  595161404331024 0    33 825 0      C-13-H3C(O)CH3
  206251.6644  0.0029 -6.1917 3  250.4830536  59516140433 924 0    33 925 0      C-13-H3C(O)CH3
  206251.6836  0.0029 -4.3923 3  250.4830536 -595161404331024 0    33 925 0      C-13-H3C(O)CH3
  206251.6836  0.0029 -4.3926 3  250.4830536 -59516140433 924 0    33 825 0      C-13-H3C(O)CH3
  206252.7596  0.0563 -5.3448 3  934.4500920  595161404574017 0    573918 0      C-13-H3C(O)CH3
  206253.3648  0.0081 -5.9610 3  183.2681424  595161404261412 0    2517 9 0      C-13-H3C(O)CH3
  206268.8893  0.4246 -6.3321 3 1494.8766B76  595161404734726 2    734627 2      C-13-H3C(O)CH3
  206268.9951  0.0027 -4.1465 3   32.4219184 -59516140411 9 2 2    10 8 2 2      C-13-H3C(O)CH3
  206273.6558  0.6406 -6.7792 3 1575.3105604  595161404754827 3    754728 3      C-13-H3C(O)CH3
  206286.5571  0.0562 -5.3446 3  934.4487920  595161404574018 0    573919 0      C-13-H3C(O)CH3
  206294.0307  0.5473 -6.7843 3 1575.3101604  595161404754827 4    754728 4      C-13-H3C(O)CH3
  206310.5109  0.0417 -5.6513 3  934.5353460  595161404574017 3    573918 3      C-13-H3C(O)CH3
  206311.8004  0.0050 -6.5384 3   58.2945248  59516140415 9 7 2    15 610 2      C-13-H3C(O)CH3
  206316.8419  0.0029 -4.7391 3   70.2985172  59516140421 021 3    20 120 3      C-13-H3C(O)CH3
  206316.8419  0.0029 -4.0909 3   70.2985172  59516140421 121 3    20 120 3      C-13-H3C(O)CH3
  206316.8451  0.0029 -5.2992 3   70.2985172  59516140421 121 4    20 020 4      C-13-H3C(O)CH3
  206316.8451  0.0029 -4.0253 3   70.2985172  59516140421 021 4    20 020 4      C-13-H3C(O)CH3
  206316.8635  0.0029 -4.0909 3   70.2985172 -59516140421 021 3    20 020 3      C-13-H3C(O)CH3
  206316.8635  0.0029 -5.2992 3   70.2985172 -59516140421 021 4    20 120 4      C-13-H3C(O)CH3
  206316.8635  0.0029 -4.7391 3   70.2985172 -59516140421 121 3    20 020 3      C-13-H3C(O)CH3
  206316.8635  0.0029 -4.0253 3   70.2985172 -59516140421 121 4    20 120 4      C-13-H3C(O)CH3
  206323.1128  0.0033 -3.7656 3   70.2276344  59516140421 121 1    20 020 1      C-13-H3C(O)CH3
  206323.1128  0.0033 -3.7656 3   70.2276344  59516140421 021 1    20 120 1      C-13-H3C(O)CH3
  206323.1865  0.0033 -4.5651 3   70.2276344 -59516140421 021 1    20 020 1      C-13-H3C(O)CH3
  206323.1865  0.0032 -3.7048 3   70.2271344 -59516140421 121 2    20 120 2      C-13-H3C(O)CH3
  206323.1865  0.0032 -5.8356 3   70.2271344 -59516140421 021 2    20 120 2      C-13-H3C(O)CH3
  206323.1865  0.0033 -4.5651 3   70.2276344 -59516140421 121 1    20 120 1      C-13-H3C(O)CH3
  206323.2184  0.0032 -3.7048 3   70.2271344  59516140421 021 2    20 020 2      C-13-H3C(O)CH3
  206323.2184  0.0032 -5.8356 3   70.2271344  59516140421 121 2    20 020 2      C-13-H3C(O)CH3
  206329.4691  0.0030 -3.8628 3   70.1563344  59516140421 121 0    20 020 0      C-13-H3C(O)CH3
  206329.4691  0.0030 -3.8628 3   70.1563344  59516140421 021 0    20 120 0      C-13-H3C(O)CH3
  206329.5144  0.0030 -4.2096 3   70.1563344 -59516140421 121 0    20 120 0      C-13-H3C(O)CH3
  206329.5144  0.0030 -4.2096 3   70.1563344 -59516140421 021 0    20 020 0      C-13-H3C(O)CH3
  206332.8245  0.0049 -6.5399 3   58.2956248  59516140415 9 7 1    15 610 1      C-13-H3C(O)CH3
  206340.4992  0.0089 -5.9708 3  183.2555424  595161404261412 2    2517 9 2      C-13-H3C(O)CH3
  206345.5972  0.0124 -5.6284 3  100.3903312  5951614041913 6 2    1814 5 2      C-13-H3C(O)CH3
  206346.5409  0.0228 -5.3993 3  763.2588412  595161404513813 4    513714 4      C-13-H3C(O)CH3
  206365.2483  0.1948 -6.2063 3 1266.3436540  595161404674424 3    674325 3      C-13-H3C(O)CH3
  206373.6022  0.0532 -5.6511 3  934.5309460  595161404574018 3    573919 3      C-13-H3C(O)CH3
  206381.7200  0.3817 -6.3258 3 1494.8864B76  595161404734726 1    734627 1      C-13-H3C(O)CH3
  206396.8804  0.1226 -5.9816 3 1156.9236524  595161404653629 3    653530 3      C-13-H3C(O)CH3
  206397.1149  0.1223 -5.9816 3 1156.9237524  595161404653629 4    653530 4      C-13-H3C(O)CH3
  206409.3881  0.0564 -5.3447 3  934.4798920  595161404574018 1    573919 1      C-13-H3C(O)CH3
  206411.7243  0.2944 -6.2130 3 1266.3422540  595161404674424 4    674325 4      C-13-H3C(O)CH3
  206418.9532  0.0189 -5.0981 3  763.2242824  595161404513813 2    513714 2      C-13-H3C(O)CH3
  206430.0678  0.0160 -7.2203 3   76.8337264  5951614041614 3 1    1611 5 1      C-13-H3C(O)CH3
  206446.1572  0.0191 -5.4004 3  763.2379412  595161404513814 3    513714 3      C-13-H3C(O)CH3
  206458.5763  0.0042 -4.6005 3  501.0101712  595161404441925 0    441826 0      C-13-H3C(O)CH3
  206458.5927  0.0042 -4.6005 3  501.0101712  595161404442025 0    441926 0      C-13-H3C(O)CH3
  206477.0224  0.0955 -5.6803 3 1156.9094A48  595161404653629 1    653530 1      C-13-H3C(O)CH3
  206484.4194  0.0539 -5.3443 3  934.4842920  595161404574018 2    573919 2      C-13-H3C(O)CH3
  206488.3349  0.0052 -4.6002 3  500.9842712  595161404441925 2    441826 2      C-13-H3C(O)CH3
  206488.3533  0.0052 -4.6002 3  500.9842712  595161404442025 2    441926 2      C-13-H3C(O)CH3
  206488.8075  0.0195 -5.0979 3  763.2111824  595161404513813 1    513714 1      C-13-H3C(O)CH3
  206494.8118  0.0046 -4.6002 3  500.9858712  595161404441925 1    441826 1      C-13-H3C(O)CH3
  206494.8295  0.0046 -4.6002 3  500.9858712  595161404442025 1    441926 1      C-13-H3C(O)CH3
  206504.4069  0.1249 -5.6802 3 1156.9125A48  595161404653629 2    653530 2      C-13-H3C(O)CH3
  206512.7277  0.4850 -6.6284 3 1494.9025588  595161404734726 3    734627 3      C-13-H3C(O)CH3
  206514.6637  0.0042 -4.7070 3  230.5703260  59516140432 924 4    32 725 4      C-13-H3C(O)CH3
  206514.6637  0.0042 -6.1692 3  230.5703260  59516140432 924 4    32 825 4      C-13-H3C(O)CH3
  206514.6637  0.0042 -6.1628 3  230.5703260  59516140432 824 4    32 725 4      C-13-H3C(O)CH3
  206514.6637  0.0042 -4.7073 3  230.5703260  59516140432 824 4    32 825 4      C-13-H3C(O)CH3
  206514.8584  0.0036 -4.9209 3  230.5703260  59516140432 924 3    32 725 3      C-13-H3C(O)CH3
  206514.8584  0.0036 -4.9209 3  230.5703260  59516140432 824 3    32 825 3      C-13-H3C(O)CH3
  206514.8584  0.0036 -5.0803 3  230.5703260  59516140432 924 3    32 825 3      C-13-H3C(O)CH3
  206514.8584  0.0036 -5.0803 3  230.5703260  59516140432 824 3    32 725 3      C-13-H3C(O)CH3
  206521.3557  0.0071 -6.5431 3  285.0914268  595161404331518 3    321815 3      C-13-H3C(O)CH3
  206521.4644  0.0074 -6.5431 3  285.0914268  595161404331518 4    321815 4      C-13-H3C(O)CH3
  206524.6422  0.0054 -4.9010 3  500.9599356  595161404441925 3    441826 3      C-13-H3C(O)CH3
  206524.6620  0.0054 -4.9010 3  500.9599356  595161404442025 3    441926 3      C-13-H3C(O)CH3
  206524.6690  0.0054 -4.9010 3  500.9598356  595161404441925 4    441826 4      C-13-H3C(O)CH3
  206524.6887  0.0054 -4.9010 3  500.9598356  595161404442025 4    441926 4      C-13-H3C(O)CH3
  206531.2237  0.0165 -6.2943 3  127.9559344  5951614042116 5 1    2113 8 1      C-13-H3C(O)CH3
  206535.7649  0.4017 -6.6383 3 1494.9023588  595161404734726 4    734627 4      C-13-H3C(O)CH3
  206538.4640  0.0071 -6.2420 3  285.1158536  595161404331518 1    321815 1      C-13-H3C(O)CH3
  206545.8015  0.0643 -5.7258 3 1014.5660492  595161404613328 3    613229 3      C-13-H3C(O)CH3
  206545.9659  0.0644 -5.7258 3 1014.5660492  595161404613328 4    613229 4      C-13-H3C(O)CH3
  206553.4001  0.0119 -6.6805 3   84.8945280  5951614041714 4 1    1711 7 1      C-13-H3C(O)CH3
  206558.6127  0.0086 -4.8844 3  694.2730824  595161404512526 0    512427 0      C-13-H3C(O)CH3
  206560.7205  0.0189 -5.0976 3  763.1765824  595161404513813 0    513714 0      C-13-H3C(O)CH3
  206561.3287  0.0189 -5.0976 3  763.1765824  595161404513814 0    513715 0      C-13-H3C(O)CH3
  206561.4594  0.0086 -4.8844 3  694.2730824  595161404512626 0    512527 0      C-13-H3C(O)CH3
  206561.8217  0.0067 -4.5109 3   32.4235 92  59516140411 9 2 3    10 8 3 3      C-13-H3C(O)CH3
  206568.3971  0.0048 -6.5346 3   58.2518248  59516140415 9 7 0    15 610 0      C-13-H3C(O)CH3
  206573.0581  0.0192 -5.4000 3  763.2377412  595161404513813 3    513715 3      C-13-H3C(O)CH3
  206581.6446  0.0131 -4.8842 3  694.2641824  595161404512526 2    512427 2      C-13-H3C(O)CH3
  206583.3904  0.0964 -5.6799 3 1156.8983A48  595161404653629 0    653530 0      C-13-H3C(O)CH3
  206584.7422  0.0130 -4.8842 3  694.2641824  595161404512626 2    512527 2      C-13-H3C(O)CH3
  206586.1317  0.0094 -4.8842 3  694.2649824  595161404512526 1    512427 1      C-13-H3C(O)CH3
  206587.7707  0.0203 -5.0975 3  763.1903824  595161404513814 1    513715 1      C-13-H3C(O)CH3
  206589.2032  0.0095 -4.8842 3  694.2650824  595161404512626 1    512527 1      C-13-H3C(O)CH3
  206593.3141  0.0498 -5.4247 3 1014.5543984  595161404613328 1    613229 1      C-13-H3C(O)CH3
  206601.2107  0.0641 -5.4247 3 1014.5559984  595161404613328 2    613229 2      C-13-H3C(O)CH3
  206605.1748  0.0072 -6.2390 3  285.1101536  595161404331518 2    321815 2      C-13-H3C(O)CH3
  206609.2036  0.0136 -5.1850 3  694.2560412  595161404512526 3    512427 3      C-13-H3C(O)CH3
  206609.3005  0.0137 -5.1850 3  694.2560412  595161404512526 4    512427 4      C-13-H3C(O)CH3
  206612.5464  0.0136 -5.1850 3  694.2560412  595161404512626 3    512527 3      C-13-H3C(O)CH3
  206612.6298  0.0137 -5.1850 3  694.2560412  595161404512626 4    512527 4      C-13-H3C(O)CH3
  206621.9873  0.0063 -6.2389 3  285.1345536  595161404331518 0    321815 0      C-13-H3C(O)CH3
  206622.2073  0.0573 -5.6448 3  934.5147460  595161404574018 4    573919 4      C-13-H3C(O)CH3
  206626.5206  0.0098 -6.2634 3  183.2444212  595161404261412 3    2517 9 3      C-13-H3C(O)CH3
  206644.6028  0.0292 -5.5132 3  846.5632436  595161404543915 4    543816 4      C-13-H3C(O)CH3
  206644.6354  0.0187 -5.0974 3  763.2031824  595161404513814 2    513715 2      C-13-H3C(O)CH3
  206648.1046  0.0493 -5.4245 3 1014.5442984  595161404613328 0    613229 0      C-13-H3C(O)CH3
  206652.7863  0.0031 -6.3581 3  230.5729520  59516140432 924 2    32 725 2      C-13-H3C(O)CH3
  206652.7980  0.0031 -4.3952 3  230.5729520 -59516140432 924 2    32 825 2      C-13-H3C(O)CH3
  206652.7980  0.0031 -4.3906 3  230.5729520 -59516140432 824 2    32 725 2      C-13-H3C(O)CH3
  206657.6620  0.0033 -5.6157 3  230.5738520  59516140432 824 1    32 825 1      C-13-H3C(O)CH3
  206657.6620  0.0033 -5.6157 3  230.5738520  59516140432 924 1    32 725 1      C-13-H3C(O)CH3
  206657.6899  0.0033 -4.4172 3  230.5738520 -59516140432 924 1    32 825 1      C-13-H3C(O)CH3
  206657.6899  0.0033 -4.4172 3  230.5738520 -59516140432 824 1    32 725 1      C-13-H3C(O)CH3
  206659.0955  0.0127 -6.0295 3  127.9349344  5951614042116 5 0    2113 8 0      C-13-H3C(O)CH3
  206671.5034  0.0206 -5.3982 3  763.2169412  595161404513814 4    513715 4      C-13-H3C(O)CH3
  206724.6299  0.0041 -6.3052 3  100.2423156  5951614041913 7 3    191010 3      C-13-H3C(O)CH3
  206735.3034  0.0096 -5.9780 3  183.2506424  595161404261412 1    2517 9 1      C-13-H3C(O)CH3
  206737.1268  0.0029 -4.6018 3   49.3686116 -59516140414 8 7 4    13 7 6 4      C-13-H3C(O)CH3
  206746.1698  0.0290 -5.2118 3  846.5214872  595161404543915 2    543816 2      C-13-H3C(O)CH3
  206771.5761  0.0333 -5.2117 3  846.5096872  595161404543915 1    543816 1      C-13-H3C(O)CH3
  206771.6085  0.0126 -5.6705 3  100.3792312  5951614041913 6 1    1814 5 1      C-13-H3C(O)CH3
  206785.6372  0.0037 -4.6015 3   49.3674116 -59516140414 8 7 3    13 7 6 3      C-13-H3C(O)CH3
  206795.3296  0.0030 -5.3748 3  230.5764520  59516140432 824 0    32 825 0      C-13-H3C(O)CH3
  206795.3296  0.0030 -4.4101 3  230.5764520  59516140432 924 0    32 725 0      C-13-H3C(O)CH3
  206795.3381  0.0030 -4.4372 3  230.5764520 -59516140432 924 0    32 825 0      C-13-H3C(O)CH3
  206795.3381  0.0030 -5.7296 3  230.5764520 -59516140432 824 0    32 725 0      C-13-H3C(O)CH3
  206798.2753  0.0052 -6.0162 3  100.2228312  5951614041913 7 1    191010 1      C-13-H3C(O)CH3
  206808.4607  0.0224 -6.5929 3  127.9675172  5951614042116 5 4    2113 8 4      C-13-H3C(O)CH3
  206814.6403  0.2745 -7.1643 3 1093.8487A00  595161404624221 2    624121 2      C-13-H3C(O)CH3
  206822.3383  0.0253 -5.5139 3  846.5453436  595161404543916 3    543816 3      C-13-H3C(O)CH3
  206870.5605  0.0335 -5.2113 3  846.4680872  595161404543915 0    543816 0      C-13-H3C(O)CH3
  206874.0285  0.0094 -6.4737 3  102.6863312  5951614041914 5 1    1911 9 1      C-13-H3C(O)CH3
  206875.3135  0.1067 -5.9082 3 1093.8969500  595161404624220 4    624121 4      C-13-H3C(O)CH3
  206875.5202  0.0335 -5.2113 3  846.4678872  595161404543916 0    543817 0      C-13-H3C(O)CH3
  206878.7295  0.0158 -7.1927 3   76.8308264  5951614041614 3 2    1611 5 2      C-13-H3C(O)CH3
  206885.0863  0.0063 -5.4632 3   19.2449152  595161404 9 7 3 1     8 4 4 1      C-13-H3C(O)CH3
  206894.4018  0.1177 -5.6052 3 1093.8487A00  595161404624220 1    624121 1      C-13-H3C(O)CH3
  206900.9543  0.0107 -6.1640 3  164.7713204  595161404251313 4    241410 4      C-13-H3C(O)CH3
  206904.8524  0.1052 -5.6042 3 1093.8034A00  595161404624220 0    624121 0      C-13-H3C(O)CH3
  206913.9431  0.0161 -6.2980 3  127.9458344  5951614042116 5 2    2113 8 2      C-13-H3C(O)CH3
  206919.4806  0.0026 -4.1141 3   32.3324184 -59516140411 9 2 0    10 8 3 0      C-13-H3C(O)CH3
  206919.8434  0.0084 -6.1641 3  164.7707204  595161404251313 3    241410 3      C-13-H3C(O)CH3
  206921.8901  0.6322 -6.7606 3 1735.0052C72  595161404794931 2    794832 2      C-13-H3C(O)CH3
  206922.9274  0.0282 -5.5136 3  846.5423436  595161404543915 3    543817 3      C-13-H3C(O)CH3
  206925.1464  0.0565 -5.7243 3 1014.5680492  595161404613428 4    613329 4      C-13-H3C(O)CH3
  206925.3311  0.5213 -6.7605 3 1735.0025C72  595161404794931 0    794832 0      C-13-H3C(O)CH3
  206925.4260  0.0563 -5.7243 3 1014.5680492  595161404613428 3    613329 3      C-13-H3C(O)CH3
  206931.9622  0.0117 -6.6900 3   84.8937280  5951614041714 4 2    1711 7 2      C-13-H3C(O)CH3
  206940.5017  0.0032 -4.3003 3   49.3223232 -59516140414 8 7 1    13 7 6 1      C-13-H3C(O)CH3
  206942.3587  0.5938 -6.8331 3 1774.5465C88  595161404804932 2    804833 2      C-13-H3C(O)CH3
  206943.0863  0.0093 -6.4947 3  102.6831312  5951614041914 5 2    1911 9 2      C-13-H3C(O)CH3
  206948.5084  0.0048 -5.6955 3   19.3078 76  595161404 9 7 3 3     8 4 4 3      C-13-H3C(O)CH3
  206949.1009  0.0348 -5.2111 3  846.4917872  595161404543916 1    543817 1      C-13-H3C(O)CH3
  206956.0906  0.0482 -5.4232 3 1014.5561984  595161404613428 1    613329 1      C-13-H3C(O)CH3
  206957.7444  0.1042 -5.6162 3 1093.8487A00  595161404624220 2    624121 2      C-13-H3C(O)CH3
  206958.2059  0.0047 -4.7236 3  211.2670252  59516140431 724 4    31 725 4      C-13-H3C(O)CH3
  206958.2059  0.0047 -6.0706 3  211.2670252  59516140431 724 4    31 625 4      C-13-H3C(O)CH3
  206958.2059  0.0047 -6.0706 3  211.2670252  59516140431 824 4    31 725 4      C-13-H3C(O)CH3
  206958.2059  0.0047 -4.7236 3  211.2670252  59516140431 824 4    31 625 4      C-13-H3C(O)CH3
  206958.3717  0.0040 -4.7587 3  211.2670252  59516140431 824 3    31 725 3      C-13-H3C(O)CH3
  206958.3717  0.0040 -4.7587 3  211.2670252  59516140431 724 3    31 625 3      C-13-H3C(O)CH3
  206958.3717  0.0040 -5.6354 3  211.2670252  59516140431 824 3    31 625 3      C-13-H3C(O)CH3
  206958.3717  0.0040 -5.6354 3  211.2670252  59516140431 724 3    31 725 3      C-13-H3C(O)CH3
  206959.1819  0.0554 -5.4232 3 1014.5577984  595161404613428 2    613329 2      C-13-H3C(O)CH3
  206959.5318  0.5704 -6.8330 3 1774.5451C88  595161404804932 0    804833 0      C-13-H3C(O)CH3
  206967.2526  0.0049 -6.0114 3  100.2200312  5951614041913 7 2    191010 2      C-13-H3C(O)CH3
  206990.1272  0.0473 -5.4232 3 1014.5459984  595161404613428 0    613329 0      C-13-H3C(O)CH3
  206999.2936  0.0134 -6.3039 3  183.2323212  595161404261412 4    2517 9 4      C-13-H3C(O)CH3
  207008.7960  0.0151 -6.9937 3   84.9190140  5951614041714 4 3    1711 7 3      C-13-H3C(O)CH3
  207021.0242  0.0076 -5.8613 3  164.7722408  595161404251313 1    241410 1      C-13-H3C(O)CH3
  207022.9367  0.2006 -6.6229 3 1093.8871500  595161404624221 3    624121 3      C-13-H3C(O)CH3
  207023.9307  0.0037 -4.3005 3   49.3178232 -59516140414 8 7 2    13 7 6 2      C-13-H3C(O)CH3
  207023.9647  0.0307 -5.2109 3  846.5005872  595161404543916 2    543817 2      C-13-H3C(O)CH3
  207050.1034  0.0076 -5.4571 3   19.2428152  595161404 9 7 3 2     8 4 4 2      C-13-H3C(O)CH3
  207099.5564  0.0326 -5.5117 3  846.5244436  595161404543916 4    543817 4      C-13-H3C(O)CH3
  207107.8085  0.1940 -5.9971 3 1093.8871500  595161404624220 3    624121 3      C-13-H3C(O)CH3
  207120.2296  0.0210 -5.3065 3  464.5954308  5951614043835 4 4    3834 5 4      C-13-H3C(O)CH3
  207125.3550  0.0034 -5.0369 3  211.2622504  59516140431 824 2    31 625 2      C-13-H3C(O)CH3
  207125.3550  0.0034 -5.0369 3  211.2622504  59516140431 724 2    31 725 2      C-13-H3C(O)CH3
  207125.3569  0.0034 -4.5172 3  211.2622504 -59516140431 824 2    31 725 2      C-13-H3C(O)CH3
  207125.3569  0.0034 -4.5172 3  211.2622504 -59516140431 724 2    31 625 2      C-13-H3C(O)CH3
  207129.6650  0.0036 -4.4030 3  211.2630504 -59516140431 824 1    31 725 1      C-13-H3C(O)CH3
  207129.6650  0.0036 -4.4030 3  211.2630504 -59516140431 724 1    31 625 1      C-13-H3C(O)CH3
  207160.8298  0.0158 -5.0056 3  464.6475616  5951614043835 4 2    3834 5 2      C-13-H3C(O)CH3
  207167.4949  0.5300 -7.0610 3 1735.0137636  595161404794931 3    794832 3      C-13-H3C(O)CH3
  207167.8465  0.4337 -7.1335 3 1774.5496644  595161404804932 3    804833 3      C-13-H3C(O)CH3
  207173.4955  0.4260 -7.1334 3 1774.5497644  595161404804932 4    804833 4      C-13-H3C(O)CH3
  207175.5591  0.4824 -6.7598 3 1735.0111C72  595161404794931 1    794832 1      C-13-H3C(O)CH3
  207176.1410  0.5233 -7.0608 3 1735.0139636  595161404794931 4    794832 4      C-13-H3C(O)CH3
  207188.3875  0.5139 -6.8323 3 1774.5484C88  595161404804932 1    804833 1      C-13-H3C(O)CH3
  207201.7641  0.0030 -4.3001 3   49.2722232 -59516140414 8 7 0    13 7 6 0      C-13-H3C(O)CH3
  207208.3361  0.1033 -5.6030 3 1093.7918A00  595161404624221 0    624122 0      C-13-H3C(O)CH3
  207225.4547  0.0145 -7.0725 3   84.9190140  5951614041714 3 3    1711 7 3      C-13-H3C(O)CH3
  207252.7901  0.0124 -5.6245 3   98.0131156  5951614041912 8 4    1813 5 4      C-13-H3C(O)CH3
  207294.7970  0.0074 -5.8557 3  164.7592408  595161404251313 2    241410 2      C-13-H3C(O)CH3
  207296.3458  0.0032 -5.5820 3  211.2583504  59516140431 724 0    31 725 0      C-13-H3C(O)CH3
  207296.3458  0.0032 -5.5820 3  211.2583504  59516140431 824 0    31 625 0      C-13-H3C(O)CH3
  207296.3778  0.0032 -4.4313 3  211.2583504 -59516140431 824 0    31 725 0      C-13-H3C(O)CH3
  207296.3778  0.0032 -4.4313 3  211.2583504 -59516140431 724 0    31 625 0      C-13-H3C(O)CH3
  207326.8817  0.0041 -5.9985 3  100.2005312  5951614041913 7 0    191010 0      C-13-H3C(O)CH3
  207328.2500  0.0169 -5.0052 3  464.6361616  5951614043835 4 1    3834 5 1      C-13-H3C(O)CH3
  207328.8155  0.0185 -5.3059 3  464.6208308  5951614043835 4 3    3834 5 3      C-13-H3C(O)CH3
  207351.7097  0.1045 -5.6036 3 1093.8308A00  595161404624221 1    624122 1      C-13-H3C(O)CH3
  207356.0198  0.0182 -5.3060 3  464.6424308  5951614043835 3 3    3834 4 3      C-13-H3C(O)CH3
  207358.2084  0.0053 -4.7336 3  192.5556244  59516140430 724 4    30 525 4      C-13-H3C(O)CH3
  207358.2084  0.0053 -4.7268 3  192.5556244  59516140430 624 4    30 625 4      C-13-H3C(O)CH3
  207358.2084  0.0053 -6.5288 3  192.5556244  59516140430 724 4    30 625 4      C-13-H3C(O)CH3
  207358.3262  0.0045 -5.3732 3  192.5555244  59516140430 624 3    30 525 3      C-13-H3C(O)CH3
  207358.3262  0.0045 -4.8378 3  192.5555244  59516140430 624 3    30 625 3      C-13-H3C(O)CH3
  207358.3262  0.0045 -4.8378 3  192.5555244  59516140430 724 3    30 525 3      C-13-H3C(O)CH3
  207358.3262  0.0045 -5.3732 3  192.5555244  59516140430 724 3    30 625 3      C-13-H3C(O)CH3
  207360.9699  0.0129 -6.7283 3  102.7036156  5951614041914 5 4    1911 9 4      C-13-H3C(O)CH3
  207363.1024  0.1575 -5.9960 3 1093.8757500  595161404624221 3    624122 3      C-13-H3C(O)CH3
  207370.4428  0.0148 -5.0053 3  464.6882616  5951614043835 4 0    3834 4 0      C-13-H3C(O)CH3
  207370.4428  0.0148 -5.0053 3  464.6882616  5951614043835 3 0    3834 5 0      C-13-H3C(O)CH3
  207371.1683  0.0150 -5.0051 3  464.6728616  5951614043835 3 2    3834 4 2      C-13-H3C(O)CH3
  207381.4756  0.1075 -5.6147 3 1093.8297A00  595161404624221 2    624122 2      C-13-H3C(O)CH3
  207383.4744  0.1789 -6.2499 3 1468.1693B76  595161404734331 2    734232 2      C-13-H3C(O)CH3
  207397.5339  0.2261 -6.2498 3 1468.1588B76  595161404734331 0    734232 0      C-13-H3C(O)CH3
  207401.3427  0.0071 -5.8541 3  164.7606408  595161404251313 0    241410 0      C-13-H3C(O)CH3
  207406.5994  0.1581 -6.5509 3 1468.1752588  595161404734331 4    734232 4      C-13-H3C(O)CH3
  207406.9377  0.1572 -6.5509 3 1468.1752588  595161404734331 3    734232 3      C-13-H3C(O)CH3
  207420.5974  0.2187 -6.2498 3 1468.1647B76  595161404734331 1    734232 1      C-13-H3C(O)CH3
  207428.5014  0.0155 -5.9879 3  112.2890328  5951614042014 7 1    1915 4 1      C-13-H3C(O)CH3
  207431.7950  0.0158 -5.2278 3  568.2391348  5951614044336 8 4    4335 9 4      C-13-H3C(O)CH3
  207447.9743  0.2422 -6.6213 3 1093.8757500  595161404624220 3    624122 3      C-13-H3C(O)CH3
  207449.5324  0.0160 -5.2278 3  568.2592348  5951614044336 8 3    4335 9 3      C-13-H3C(O)CH3
  207479.5763  0.0129 -4.9269 3  568.2639696  5951614044336 8 2    4335 9 2      C-13-H3C(O)CH3
  207494.2304  0.0146 -5.8963 3  112.2928328  5951614042014 7 2    1915 4 2      C-13-H3C(O)CH3
  207498.3786  0.0131 -4.9269 3  568.2838696  5951614044336 7 2    4335 8 2      C-13-H3C(O)CH3
  207524.5797  0.3566 -7.1606 3 1093.8297A00  595161404624220 2    624122 2      C-13-H3C(O)CH3
  207549.1642  0.0140 -4.9266 3  568.2464696  5951614044336 8 1    4335 9 1      C-13-H3C(O)CH3
  207554.3926  0.0156 -5.2276 3  568.2733348  5951614044336 7 3    4335 8 3      C-13-H3C(O)CH3
  207556.4375  0.0040 -4.4456 3  192.5424488 -59516140430 724 2    30 625 2      C-13-H3C(O)CH3
  207556.4375  0.0040 -4.4456 3  192.5424488 -59516140430 624 2    30 525 2      C-13-H3C(O)CH3
  207556.4436  0.0040 -5.7500 3  192.5424488  59516140430 724 2    30 525 2      C-13-H3C(O)CH3
  207556.4436  0.0040 -5.7500 3  192.5424488  59516140430 624 2    30 625 2      C-13-H3C(O)CH3
  207560.1721  0.0042 -4.4321 3  192.5431488 -59516140430 724 1    30 625 1      C-13-H3C(O)CH3
  207560.1721  0.0042 -4.4321 3  192.5431488 -59516140430 624 1    30 525 1      C-13-H3C(O)CH3
  207560.1853  0.0042 -6.1921 3  192.5431488  59516140430 624 1    30 625 1      C-13-H3C(O)CH3
  207560.1853  0.0042 -6.1921 3  192.5431488  59516140430 724 1    30 525 1      C-13-H3C(O)CH3
  207566.1077  0.0177 -5.3054 3  464.6676308  5951614043835 3 4    3834 4 4      C-13-H3C(O)CH3
  207566.1150  0.0151 -5.0046 3  464.6830616  5951614043835 3 1    3834 4 1      C-13-H3C(O)CH3
  207572.0145  0.0162 -5.2276 3  568.2931348  5951614044336 7 4    4335 8 4      C-13-H3C(O)CH3
  207595.1217  0.1318 -5.9057 3 1093.8661500  595161404624221 4    624122 4      C-13-H3C(O)CH3
  207598.3949  0.0131 -4.9267 3  568.2710696  5951614044336 7 0    4335 8 0      C-13-H3C(O)CH3
  207598.3950  0.0131 -4.9267 3  568.2710696  5951614044336 8 0    4335 9 0      C-13-H3C(O)CH3
  207620.8689  0.0039 -4.5634 3  474.6876696  595161404431825 0    431726 0      C-13-H3C(O)CH3
  207620.8737  0.0039 -4.5634 3  474.6876696  595161404431925 0    431826 0      C-13-H3C(O)CH3
  207646.2588  0.0047 -4.5632 3  474.6601696  595161404431825 2    431726 2      C-13-H3C(O)CH3
  207646.2643  0.0047 -4.5632 3  474.6601696  595161404431925 2    431826 2      C-13-H3C(O)CH3
  207652.7066  0.0043 -4.5632 3  474.6617696  595161404431825 1    431726 1      C-13-H3C(O)CH3
  207652.7119  0.0043 -4.5632 3  474.6617696  595161404431925 1    431826 1      C-13-H3C(O)CH3
  207670.8673  0.0058 -5.3977 3   19.1796152  595161404 9 7 3 0     8 4 4 0      C-13-H3C(O)CH3
  207672.8180  0.0135 -4.9264 3  568.2803696  5951614044336 7 1    4335 8 1      C-13-H3C(O)CH3
  207678.1608  0.0049 -4.8640 3  474.6341348  595161404431825 3    431726 3      C-13-H3C(O)CH3
  207678.1625  0.0049 -4.8640 3  474.6341348  595161404431825 4    431726 4      C-13-H3C(O)CH3
  207678.1667  0.0049 -4.8640 3  474.6341348  595161404431925 3    431826 3      C-13-H3C(O)CH3
  207678.1684  0.0049 -4.8640 3  474.6341348  595161404431925 4    431826 4      C-13-H3C(O)CH3
  207683.5663  0.1268 -6.2527 3 1308.1515556  595161404694030 4    693931 4      C-13-H3C(O)CH3
  207684.2125  0.1259 -6.2527 3 1308.1515556  595161404694030 3    693931 3      C-13-H3C(O)CH3
  207688.7317  0.0229 -6.7047 3  199.2988408  5951614042523 2 0    2424 1 0      C-13-H3C(O)CH3
  207688.7317  0.0229 -6.7047 3  199.2988408  5951614042523 3 0    2424 0 0      C-13-H3C(O)CH3
  207695.9021  0.0167 -5.2859 3  661.6473380  595161404473711 3    473612 3      C-13-H3C(O)CH3
  207704.3523  0.0292 -5.4328 3  847.3773452  595161404562927 3    562828 3      C-13-H3C(O)CH3
  207704.4457  0.0293 -5.4328 3  847.3774452  595161404562927 4    562828 4      C-13-H3C(O)CH3
  207706.8580  0.0888 -5.9763 3 1156.9316524  595161404653729 4    653630 4      C-13-H3C(O)CH3
  207707.3793  0.0883 -5.9763 3 1156.9316524  595161404653729 3    653630 3      C-13-H3C(O)CH3
  207709.1024  0.0284 -5.1319 3  847.3739904  595161404562927 2    562828 2      C-13-H3C(O)CH3
  207710.1449  0.0216 -5.1319 3  847.3737904  595161404562927 1    562828 1      C-13-H3C(O)CH3
  207711.4776  0.1285 -5.9516 3 1308.1417B12  595161404694030 2    693931 2      C-13-H3C(O)CH3
  207712.1412  0.0197 -5.2860 3  661.6733380  595161404473710 4    473611 4      C-13-H3C(O)CH3
  207714.7805  0.0205 -5.1320 3  847.3703904  595161404562927 0    562828 0      C-13-H3C(O)CH3
  207715.7752  0.1380 -5.9515 3 1308.1377B12  595161404694030 1    693931 1      C-13-H3C(O)CH3
  207717.8170  0.0061 -6.2985 3  174.4372236  59516140429 624 4    29 425 4      C-13-H3C(O)CH3
  207717.8170  0.0061 -4.7750 3  174.4372236  59516140429 524 4    29 425 4      C-13-H3C(O)CH3
  207717.8170  0.0061 -6.2985 3  174.4372236  59516140429 524 4    29 525 4      C-13-H3C(O)CH3
  207717.8170  0.0061 -4.7750 3  174.4372236  59516140429 624 4    29 525 4      C-13-H3C(O)CH3
  207717.8645  0.0053 -5.4446 3  174.4372236  59516140429 524 3    29 525 3      C-13-H3C(O)CH3
  207717.8645  0.0053 -4.8633 3  174.4372236  59516140429 624 3    29 525 3      C-13-H3C(O)CH3
  207717.8645  0.0053 -5.4446 3  174.4372236  59516140429 624 3    29 425 3      C-13-H3C(O)CH3
  207717.8645  0.0053 -4.8633 3  174.4372236  59516140429 524 3    29 425 3      C-13-H3C(O)CH3
  207721.4279  0.0151 -4.9850 3  661.6510760  595161404473710 2    473611 2      C-13-H3C(O)CH3
  207724.9722  0.0046 -4.4592 3   57.9641248 -59516140415 8 7 0    14 9 6 0      C-13-H3C(O)CH3
  207743.8059  0.1393 -5.9514 3 1308.1280B12  595161404694030 0    693931 0      C-13-H3C(O)CH3
  207745.3370  0.0286 -5.4327 3  847.3775452  595161404563027 4    562928 4      C-13-H3C(O)CH3
  207745.3432  0.0285 -5.4327 3  847.3775452  595161404563027 3    562928 3      C-13-H3C(O)CH3
  207746.2277  0.0838 -5.6752 3 1156.9171A48  595161404653729 1    653630 1      C-13-H3C(O)CH3
  207747.3150  0.0276 -5.1317 3  847.3741904  595161404563027 2    562928 2      C-13-H3C(O)CH3
  207748.5412  0.0216 -5.1317 3  847.3739904  595161404563027 1    562928 1      C-13-H3C(O)CH3
  207750.5738  0.0204 -5.1318 3  847.3705904  595161404563027 0    562928 0      C-13-H3C(O)CH3
  207750.7547  0.0879 -5.6752 3 1156.9199A48  595161404653729 2    653630 2      C-13-H3C(O)CH3
  207753.9482  0.0054 -4.4580 3   58.0002248 -59516140415 8 7 2    14 9 6 2      C-13-H3C(O)CH3
  207754.7969  0.0125 -5.3785 3  254.2183488  595161404302010 1    301713 1      C-13-H3C(O)CH3
  207757.8999  0.0038 -4.8735 3  192.5300488  59516140430 624 0    30 625 0      C-13-H3C(O)CH3
  207757.8999  0.0038 -4.8735 3  192.5300488  59516140430 724 0    30 525 0      C-13-H3C(O)CH3
  207757.9782  0.0038 -4.6138 3  192.5300488 -59516140430 724 0    30 625 0      C-13-H3C(O)CH3
  207757.9782  0.0038 -4.6138 3  192.5300488 -59516140430 624 0    30 525 0      C-13-H3C(O)CH3
  207777.3803  0.0019 -4.5309 3   56.2651124 -59516140415 7 8 3    14 8 7 3      C-13-H3C(O)CH3
  207787.9501  0.0037 -5.5846 3   16.6997 76  595161404 9 5 5 4     8 2 6 4      C-13-H3C(O)CH3
  207790.1799  0.0834 -5.6751 3 1156.9054A48  595161404653729 0    653630 0      C-13-H3C(O)CH3
  207796.9456  0.0022 -4.5308 3   56.2647124 -59516140415 7 8 4    14 8 7 4      C-13-H3C(O)CH3
  207799.6863  0.0030 -5.5846 3   16.6997 76  595161404 9 5 5 3     8 2 6 3      C-13-H3C(O)CH3
  207811.2670  0.0152 -5.2856 3  661.6278380  595161404473711 4    473612 4      C-13-H3C(O)CH3
  207828.3760  0.0169 -5.2856 3  661.6540380  595161404473710 3    473611 3      C-13-H3C(O)CH3
  207834.5008  0.0021 -4.2310 3   56.2233248 -59516140415 7 8 2    14 8 7 2      C-13-H3C(O)CH3
  207835.8556  0.0137 -4.9846 3  661.6146760  595161404473711 1    473612 1      C-13-H3C(O)CH3
  207836.4554  0.0136 -4.9846 3  661.6317760  595161404473711 2    473612 2      C-13-H3C(O)CH3
  207840.1624  0.0160 -5.6792 3  254.1959244  595161404302010 3    301713 3      C-13-H3C(O)CH3
  207847.5184  0.0050 -4.7547 3   58.0389124 -59516140415 8 7 3    14 9 6 3      C-13-H3C(O)CH3
  207849.8425  0.0125 -5.6822 3  254.1963244  595161404302010 4    301713 4      C-13-H3C(O)CH3
  207853.1878  0.0153 -4.9846 3  661.6407760  595161404473710 1    473611 1      C-13-H3C(O)CH3
  207854.3170  0.0223 -6.7046 3  199.2183408  5951614042523 3 1    2424 1 1      C-13-H3C(O)CH3
  207860.1214  0.0021 -4.2302 3   56.2251248 -59516140415 7 8 1    14 8 7 1      C-13-H3C(O)CH3
  207861.9555  0.0136 -4.9846 3  661.6183760  595161404473710 0    473611 0      C-13-H3C(O)CH3
  207861.9663  0.0136 -4.9846 3  661.6183760  595161404473711 0    473612 0      C-13-H3C(O)CH3
  207887.6424  0.0050 -4.4558 3   58.0009248 -59516140415 8 7 1    14 9 6 1      C-13-H3C(O)CH3
  207889.1596  0.2794 -6.5662 3 1636.9560C40  595161404774632 2    774533 2      C-13-H3C(O)CH3
  207892.7418  0.3662 -6.5662 3 1636.9502C40  595161404774632 0    774533 0      C-13-H3C(O)CH3
  207907.3773  0.0020 -4.2313 3   56.1837248 -59516140415 7 8 0    14 8 7 0      C-13-H3C(O)CH3
  207931.5685  0.0229 -6.5177 3  152.5075188  5951614042317 7 4    2314 9 4      C-13-H3C(O)CH3
  207949.0860  0.0050 -4.7878 3  174.4146472  59516140429 524 2    29 425 2      C-13-H3C(O)CH3
  207949.0860  0.0050 -4.7878 3  174.4146472  59516140429 624 2    29 525 2      C-13-H3C(O)CH3
  207949.1113  0.0050 -4.7355 3  174.4146472 -59516140429 624 2    29 425 2      C-13-H3C(O)CH3
  207949.1113  0.0050 -4.7355 3  174.4146472 -59516140429 524 2    29 525 2      C-13-H3C(O)CH3
  207952.1364  0.0053 -4.9558 3  174.4152472 -59516140429 524 1    29 425 1      C-13-H3C(O)CH3
  207952.1364  0.0053 -4.9558 3  174.4152472 -59516140429 624 1    29 525 1      C-13-H3C(O)CH3
  207952.1849  0.0053 -4.6270 3  174.4152472  59516140429 624 1    29 425 1      C-13-H3C(O)CH3
  207952.1849  0.0053 -4.6270 3  174.4152472  59516140429 524 1    29 525 1      C-13-H3C(O)CH3
  207958.5202  0.3688 -6.5301 3 1612.4890C24  595161404764829 0    764730 0      C-13-H3C(O)CH3
  207986.6018  0.0057 -4.7563 3   58.0353124 -59516140415 8 7 4    14 9 6 4      C-13-H3C(O)CH3
  207987.9208  0.0054 -6.5093 3   67.3628132  59516140416 9 7 4    1510 5 4      C-13-H3C(O)CH3
  207990.4570  0.1875 -6.8669 3 1636.9578620  595161404774632 3    774533 3      C-13-H3C(O)CH3
  207990.4688  0.0080 -5.2341 3   97.9749312  5951614041912 8 1    1813 5 1      C-13-H3C(O)CH3
  207991.3001  0.1866 -6.8669 3 1636.9578620  595161404774632 4    774533 4      C-13-H3C(O)CH3
  207994.3153  0.0076 -5.2102 3   97.9730312  5951614041912 8 2    1813 5 2      C-13-H3C(O)CH3
  207994.8035  0.3407 -6.5658 3 1636.9519C40  595161404774632 1    774533 1      C-13-H3C(O)CH3
  207996.0329  0.0038 -5.2822 3   16.6326152  595161404 9 5 5 2     8 2 6 2      C-13-H3C(O)CH3
  208001.0442  0.5286 -6.5305 3 1612.4980C24  595161404764829 2    764730 2      C-13-H3C(O)CH3
  208001.4314  0.0037 -5.2824 3   16.6333152  595161404 9 5 5 1     8 2 6 1      C-13-H3C(O)CH3
  208034.4314  0.0116 -5.3754 3  254.2274488  595161404302010 0    301713 0      C-13-H3C(O)CH3
  208039.9340  0.0062 -5.1560 3  156.9131228  59516140428 424 3    28 425 3      C-13-H3C(O)CH3
  208039.9340  0.0062 -5.0820 3  156.9131228  59516140428 524 3    28 425 3      C-13-H3C(O)CH3
  208039.9340  0.0062 -5.0820 3  156.9131228  59516140428 424 3    28 325 3      C-13-H3C(O)CH3
  208039.9340  0.0062 -5.1560 3  156.9131228  59516140428 524 3    28 325 3      C-13-H3C(O)CH3
  208039.9820  0.0070 -4.8166 3  156.9131228  59516140428 524 4    28 325 4      C-13-H3C(O)CH3
  208039.9820  0.0070 -4.8166 3  156.9131228  59516140428 424 4    28 425 4      C-13-H3C(O)CH3
  208043.9968  0.0199 -7.2479 3  710.3954856  595161404532132 1    522429 1      C-13-H3C(O)CH3
  208044.0023  0.0199 -7.2479 3  710.3954856  595161404532232 1    522329 1      C-13-H3C(O)CH3
  208049.1034  0.0227 -7.2466 3  710.3948856  595161404532132 2    522429 2      C-13-H3C(O)CH3
  208049.1089  0.0227 -7.2466 3  710.3948856  595161404532232 2    522329 2      C-13-H3C(O)CH3
  208049.5352  0.0071 -6.8561 3   67.3199264  59516140416 9 7 2    1510 5 2      C-13-H3C(O)CH3
  208082.3742  0.1889 -6.0321 3 1340.2828B12  595161404694525 0    694426 0      C-13-H3C(O)CH3
  208093.8691  0.0154 -7.2479 3  710.4030856  595161404532132 0    522429 0      C-13-H3C(O)CH3
  208093.8738  0.0154 -7.2479 3  710.4030856  595161404532232 0    522329 0      C-13-H3C(O)CH3
  208100.8198  0.0226 -6.7029 3  199.2175408  5951614042523 3 2    2424 1 2      C-13-H3C(O)CH3
  208115.9963  0.0226 -6.7026 3  199.2387408  5951614042523 2 1    2424 0 1      C-13-H3C(O)CH3
  208124.6537  0.0209 -6.7017 3  199.2570408  5951614042523 2 2    2424 0 2      C-13-H3C(O)CH3
  208131.9991  0.0122 -5.3766 3  254.2050488  595161404302010 2    301713 2      C-13-H3C(O)CH3
  208134.2444  0.0105 -5.2783 3   32.3597184  59516140411 9 2 2    10 8 3 2      C-13-H3C(O)CH3
  208139.8433  0.0060 -6.7101 3   67.3238264  59516140416 9 7 1    1510 5 1      C-13-H3C(O)CH3
  208182.9182  0.0047 -6.9593 3  174.3927472  59516140429 624 0    29 525 0      C-13-H3C(O)CH3
  208182.9182  0.0047 -4.4600 3  174.3927472  59516140429 624 0    29 425 0      C-13-H3C(O)CH3
  208182.9182  0.0047 -4.4600 3  174.3927472  59516140429 524 0    29 525 0      C-13-H3C(O)CH3
  208182.9182  0.0047 -6.9593 3  174.3927472  59516140429 524 0    29 425 0      C-13-H3C(O)CH3
  208194.0844  0.3658 -6.5294 3 1612.5078C24  595161404764829 1    764730 1      C-13-H3C(O)CH3
  208197.1210  0.3064 -6.0406 3 1340.3098B12  595161404694525 2    694426 2      C-13-H3C(O)CH3
  208203.3978  0.0040 -5.2810 3   16.5663152  595161404 9 5 5 0     8 2 6 0      C-13-H3C(O)CH3
  208231.7415  0.4980 -6.8311 3 1612.5167612  595161404764829 3    764730 3      C-13-H3C(O)CH3
  208241.0634  0.5148 -6.8307 3 1612.5169612  595161404764829 4    764730 4      C-13-H3C(O)CH3
  208247.5399  0.2122 -6.0336 3 1340.3179B12  595161404694525 1    694426 1      C-13-H3C(O)CH3
  208263.3853  0.0220 -7.0039 3  199.1372204  5951614042523 3 4    2424 1 4      C-13-H3C(O)CH3
  208281.7335  0.0193 -6.1537 3  100.3532156  5951614041913 6 4    1814 5 4      C-13-H3C(O)CH3
  208284.8722  0.0239 -5.3867 3  446.7318300  5951614043735 3 4    3734 4 4      C-13-H3C(O)CH3
  208286.7064  0.0219 -7.0027 3  199.1765204  5951614042523 2 3    2424 0 3      C-13-H3C(O)CH3
  208297.8971  0.0095 -5.3551 3   32.3544184  59516140411 9 2 1    10 8 3 1      C-13-H3C(O)CH3
  208306.1008  0.0065 -4.5164 3  156.8800456  59516140428 524 2    28 325 2      C-13-H3C(O)CH3
  208306.1008  0.0065 -6.7374 3  156.8800456  59516140428 424 2    28 325 2      C-13-H3C(O)CH3
  208306.1008  0.0065 -6.7374 3  156.8800456  59516140428 524 2    28 425 2      C-13-H3C(O)CH3
  208306.1008  0.0065 -4.5164 3  156.8800456  59516140428 424 2    28 425 2      C-13-H3C(O)CH3
  208308.4588  0.0069 -5.5687 3  156.8805456 -59516140428 424 1    28 325 1      C-13-H3C(O)CH3
  208308.4588  0.0069 -5.5687 3  156.8805456 -59516140428 524 1    28 425 1      C-13-H3C(O)CH3
  208308.5101  0.0069 -4.5540 3  156.8805456  59516140428 524 1    28 325 1      C-13-H3C(O)CH3
  208308.5101  0.0069 -4.5540 3  156.8805456  59516140428 424 1    28 425 1      C-13-H3C(O)CH3
  208312.2091  0.0183 -5.0858 3  446.7895600  5951614043735 3 2    3734 4 2      C-13-H3C(O)CH3
  208327.3081  0.0072 -5.0642 3  139.9842220  59516140427 324 3    27 325 3      C-13-H3C(O)CH3
  208327.3081  0.0072 -5.4004 3  139.9842220  59516140427 324 3    27 225 3      C-13-H3C(O)CH3
  208327.3081  0.0072 -5.6943 3  139.9842220  59516140427 424 3    27 225 3      C-13-H3C(O)CH3
  208327.3081  0.0072 -4.9755 3  139.9842220  59516140427 424 3    27 325 3      C-13-H3C(O)CH3
  208327.4798  0.0081 -6.0410 3  139.9843220  59516140427 324 4    27 325 4      C-13-H3C(O)CH3
  208327.4798  0.0081 -4.9321 3  139.9843220  59516140427 424 4    27 325 4      C-13-H3C(O)CH3
  208327.4798  0.0081 -6.0410 3  139.9843220  59516140427 424 4    27 225 4      C-13-H3C(O)CH3
  208327.4798  0.0081 -4.9321 3  139.9843220  59516140427 324 4    27 225 4      C-13-H3C(O)CH3
  208344.0188  0.0072 -4.8318 3  663.9341808  595161404502426 0    502327 0      C-13-H3C(O)CH3
  208345.0419  0.0072 -4.8318 3  663.9341808  595161404502526 0    502427 0      C-13-H3C(O)CH3
  208357.5386  0.2573 -6.3349 3 1340.3451556  595161404694525 3    694426 3      C-13-H3C(O)CH3
  208360.0943  0.0067 -7.0566 3   49.3145116  59516140414 8 7 4    14 510 4      C-13-H3C(O)CH3
  208365.5060  0.4205 -6.3521 3 1340.3448556  595161404694525 4    694426 4      C-13-H3C(O)CH3
  208370.9741  0.0043 -5.0882 3   97.9457312  5951614041912 8 0    1813 5 0      C-13-H3C(O)CH3
  208372.7756  0.0110 -4.8315 3  663.9223808  595161404502426 2    502327 2      C-13-H3C(O)CH3
  208373.1526  0.0050 -7.0566 3   49.3145116  59516140414 8 7 3    14 510 3      C-13-H3C(O)CH3
  208373.8969  0.0110 -4.8315 3  663.9223808  595161404502526 2    502427 2      C-13-H3C(O)CH3
  208377.3677  0.0080 -4.8315 3  663.9233808  595161404502426 1    502327 1      C-13-H3C(O)CH3
  208378.4763  0.0080 -4.8315 3  663.9233808  595161404502526 1    502427 1      C-13-H3C(O)CH3
  208392.2287  0.0176 -6.1613 3  178.6769392  5951614042421 4 0    2322 1 0      C-13-H3C(O)CH3
  208392.2362  0.0176 -6.1613 3  178.6769392  5951614042421 3 0    2322 2 0      C-13-H3C(O)CH3
  208406.1823  0.0115 -5.1323 3  663.9115404  595161404502426 3    502327 3      C-13-H3C(O)CH3
  208406.2778  0.0116 -5.1323 3  663.9115404  595161404502426 4    502327 4      C-13-H3C(O)CH3
  208407.3977  0.0114 -5.1323 3  663.9115404  595161404502526 3    502427 3      C-13-H3C(O)CH3
  208407.4874  0.0115 -5.1323 3  663.9115404  595161404502526 4    502427 4      C-13-H3C(O)CH3
  208425.1710  0.0155 -7.0149 3  215.3165456  595161404281612 2    2719 8 2      C-13-H3C(O)CH3
  208450.8888  0.0071 -5.2352 3  112.2631328  5951614042014 7 0    1915 4 0      C-13-H3C(O)CH3
  208469.8040  0.0095 -6.4291 3   84.8715280  5951614041714 4 0    1711 7 0      C-13-H3C(O)CH3
  208486.0630  0.0078 -6.2326 3  285.0510536  595161404331618 1    321715 1      C-13-H3C(O)CH3
  208492.8143  0.0083 -6.5336 3  285.0259268  595161404331618 4    321715 4      C-13-H3C(O)CH3
  208495.8562  0.0083 -6.5336 3  285.0258268  595161404331618 3    321715 3      C-13-H3C(O)CH3
  208505.3294  0.0197 -5.0853 3  446.7813600  5951614043735 3 1    3734 4 1      C-13-H3C(O)CH3
  208523.9535  0.0211 -7.0018 3  199.1576204  5951614042523 3 3    2424 1 3      C-13-H3C(O)CH3
  208528.3267  0.0213 -7.0141 3  215.3107228  595161404281612 4    2719 8 4      C-13-H3C(O)CH3
  208534.1326  0.0170 -5.0855 3  446.8390600  5951614043735 3 0    3734 3 0      C-13-H3C(O)CH3
  208534.1326  0.0170 -5.0855 3  446.8390600  5951614043735 2 0    3734 4 0      C-13-H3C(O)CH3
  208540.4012  0.0210 -5.3861 3  446.7832300  5951614043735 2 3    3734 3 3      C-13-H3C(O)CH3
  208542.3948  0.0212 -5.3860 3  446.7604300  5951614043735 3 3    3734 4 3      C-13-H3C(O)CH3
  208547.7815  0.0247 -7.0007 3  199.1969204  5951614042523 2 4    2424 0 4      C-13-H3C(O)CH3
  208571.5336  0.0175 -5.0852 3  446.8181600  5951614043735 2 2    3734 3 2      C-13-H3C(O)CH3
  208574.0796  0.0061 -4.5269 3  156.8475456 -59516140428 424 0    28 425 0      C-13-H3C(O)CH3
  208574.0796  0.0061 -4.5269 3  156.8475456 -59516140428 524 0    28 325 0      C-13-H3C(O)CH3
  208574.0931  0.0061 -5.9950 3  156.8475456  59516140428 424 0    28 325 0      C-13-H3C(O)CH3
  208574.0931  0.0061 -5.9950 3  156.8475456  59516140428 524 0    28 425 0      C-13-H3C(O)CH3
  208582.6038  0.0086 -5.4216 3  123.6517212  59516140426 324 3    26 225 3      C-13-H3C(O)CH3
  208582.6038  0.0086 -5.4216 3  123.6517212  59516140426 224 3    26 125 3      C-13-H3C(O)CH3
  208582.6038  0.0086 -5.2641 3  123.6517212  59516140426 224 3    26 225 3      C-13-H3C(O)CH3
  208582.6038  0.0086 -5.2641 3  123.6517212  59516140426 324 3    26 125 3      C-13-H3C(O)CH3
  208582.9304  0.0094 -5.0482 3  123.6518212  59516140426 324 4    26 125 4      C-13-H3C(O)CH3
  208582.9304  0.0094 -5.0482 3  123.6518212  59516140426 224 4    26 225 4      C-13-H3C(O)CH3
  208582.9304  0.0094 -6.5487 3  123.6518212  59516140426 224 4    26 125 4      C-13-H3C(O)CH3
  208582.9304  0.0094 -6.5487 3  123.6518212  59516140426 324 4    26 225 4      C-13-H3C(O)CH3
  208592.5642  0.0065 -6.2295 3  285.0690536  595161404331618 0    321715 0      C-13-H3C(O)CH3
  208602.3556  0.0076 -6.2293 3  285.0437536  595161404331618 2    321715 2      C-13-H3C(O)CH3
  208616.8419  0.0055 -6.7501 3   49.2646232  59516140414 8 7 2    14 510 2      C-13-H3C(O)CH3
  208630.1132  0.0085 -4.9133 3  139.9397440  59516140427 424 2    27 325 2      C-13-H3C(O)CH3
  208630.1132  0.0085 -4.8827 3  139.9397440  59516140427 424 2    27 225 2      C-13-H3C(O)CH3
  208630.1132  0.0085 -4.8827 3  139.9397440  59516140427 324 2    27 325 2      C-13-H3C(O)CH3
  208630.1132  0.0085 -4.9133 3  139.9397440  59516140427 324 2    27 225 2      C-13-H3C(O)CH3
  208631.7907  0.0089 -4.9027 3  139.9402440  59516140427 424 1    27 225 1      C-13-H3C(O)CH3
  208631.7907  0.0089 -4.8932 3  139.9402440  59516140427 424 1    27 325 1      C-13-H3C(O)CH3
  208631.7907  0.0089 -4.9027 3  139.9402440  59516140427 324 1    27 325 1      C-13-H3C(O)CH3
  208631.7907  0.0089 -4.8932 3  139.9402440  59516140427 324 1    27 225 1      C-13-H3C(O)CH3
  208642.0249  0.0049 -5.3983 3   97.9692156  5951614041912 8 3    1813 5 3      C-13-H3C(O)CH3
  208643.8981  0.0054 -6.7516 3   49.2655232  59516140414 8 7 1    14 510 1      C-13-H3C(O)CH3
  208654.0402  0.0172 -6.1606 3  178.5966392  5951614042421 4 1    2322 2 1      C-13-H3C(O)CH3
  208693.5651  0.0036 -4.5291 3  448.9390680  595161404421725 0    421626 0      C-13-H3C(O)CH3
  208693.5665  0.0036 -4.5291 3  448.9390680  595161404421825 0    421726 0      C-13-H3C(O)CH3
  208712.5314  0.0043 -4.5289 3  448.9104680  595161404421725 2    421626 2      C-13-H3C(O)CH3
  208712.5330  0.0043 -4.5289 3  448.9104680  595161404421825 2    421726 2      C-13-H3C(O)CH3
  208718.9416  0.0041 -4.5289 3  448.9120680  595161404421725 1    421626 1      C-13-H3C(O)CH3
  208718.9431  0.0041 -4.5289 3  448.9120680  595161404421825 1    421726 1      C-13-H3C(O)CH3
  208729.3583  0.0159 -6.1588 3  178.6539392  5951614042421 3 2    2322 1 2      C-13-H3C(O)CH3
  208737.9348  0.0045 -4.8298 3  448.8833340  595161404421725 4    421626 4      C-13-H3C(O)CH3
  208737.9364  0.0045 -4.8298 3  448.8833340  595161404421825 4    421726 4      C-13-H3C(O)CH3
  208737.9614  0.0045 -4.8298 3  448.8833340  595161404421725 3    421626 3      C-13-H3C(O)CH3
  208737.9631  0.0045 -4.8298 3  448.8833340  595161404421825 3    421726 3      C-13-H3C(O)CH3
  208763.1126  0.0179 -5.0847 3  446.8326600  5951614043735 2 1    3734 3 1      C-13-H3C(O)CH3
  208772.4685  0.0129 -6.7415 3   76.8006264  5951614041614 2 0    1611 5 0      C-13-H3C(O)CH3
  208799.9426  0.0209 -5.3854 3  446.8116300  5951614043735 2 4    3734 3 4      C-13-H3C(O)CH3
  208808.2972  0.0101 -6.4126 3  107.9166204  59516140425 124 3    25 125 3      C-13-H3C(O)CH3
  208808.2972  0.0101 -6.4126 3  107.9166204  59516140425 224 3    25 025 3      C-13-H3C(O)CH3
  208808.2972  0.0101 -5.3303 3  107.9166204  59516140425 124 3    25 025 3      C-13-H3C(O)CH3
  208808.2972  0.0101 -5.3303 3  107.9166204  59516140425 224 3    25 125 3      C-13-H3C(O)CH3
  208808.8120  0.0110 -5.3022 3  107.9166204  59516140425 224 4    25 125 4      C-13-H3C(O)CH3
  208808.8120  0.0110 -7.1264 3  107.9166204  59516140425 224 4    25 025 4      C-13-H3C(O)CH3
  208808.8120  0.0110 -5.3022 3  107.9166204  59516140425 124 4    25 025 4      C-13-H3C(O)CH3
  208808.8120  0.0110 -7.1264 3  107.9166204  59516140425 124 4    25 125 4      C-13-H3C(O)CH3
  208809.6573  0.0170 -6.1590 3  178.6353392  5951614042421 3 1    2322 1 1      C-13-H3C(O)CH3
  208822.2789  0.0161 -6.8248 3  215.3169456  595161404281612 1    2719 8 1      C-13-H3C(O)CH3
  208825.6034  0.0151 -6.9162 3   76.8337264  5951614041614 2 1    1611 5 1      C-13-H3C(O)CH3
  208828.8759  0.0177 -6.1591 3  178.6031392  5951614042421 4 2    2322 2 2      C-13-H3C(O)CH3
  208841.2172  0.0130 -6.7837 3   84.8945280  5951614041714 3 1    1711 7 1      C-13-H3C(O)CH3
  208850.9359  0.0270 -7.2527 3  491.6392680  595161404422617 0    412912 0      C-13-H3C(O)CH3
  208874.8849  0.0149 -5.8453 3  112.2570164  5951614042014 7 3    1915 4 3      C-13-H3C(O)CH3
  208893.8478  0.0053 -6.7460 3   49.2158232  59516140414 8 7 0    14 510 0      C-13-H3C(O)CH3
  208923.5744  0.0110 -4.9591 3  123.5947424  59516140426 224 2    26 225 2      C-13-H3C(O)CH3
  208923.5744  0.0110 -5.1214 3  123.5947424  59516140426 324 2    26 225 2      C-13-H3C(O)CH3
  208923.5744  0.0110 -5.1214 3  123.5947424  59516140426 224 2    26 125 2      C-13-H3C(O)CH3
  208923.5744  0.0110 -4.9591 3  123.5947424  59516140426 324 2    26 125 2      C-13-H3C(O)CH3
  208924.4827  0.0114 -6.6092 3  123.5952424  59516140426 224 1    26 125 1      C-13-H3C(O)CH3
  208924.4827  0.0114 -6.6092 3  123.5952424  59516140426 324 1    26 225 1      C-13-H3C(O)CH3
  208924.4827  0.0114 -4.7377 3  123.5952424  59516140426 324 1    26 125 1      C-13-H3C(O)CH3
  208924.4827  0.0114 -4.7377 3  123.5952424  59516140426 224 1    26 225 1      C-13-H3C(O)CH3
  208933.8350  0.0081 -5.7695 3  139.8957440 -59516140427 424 0    27 325 0      C-13-H3C(O)CH3
  208933.8350  0.0081 -5.7695 3  139.8957440 -59516140427 324 0    27 225 0      C-13-H3C(O)CH3
  208933.9053  0.0081 -4.6252 3  139.8957440  59516140427 324 0    27 325 0      C-13-H3C(O)CH3
  208933.9054  0.0081 -4.6252 3  139.8957440  59516140427 424 0    27 225 0      C-13-H3C(O)CH3
  208949.1974  0.0194 -7.1561 3   76.8716132  5951614041614 2 4    1611 5 4      C-13-H3C(O)CH3
  208987.6917  0.0176 -6.4592 3  178.5736196  5951614042421 3 3    2322 1 3      C-13-H3C(O)CH3
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  208996.7248  0.0296 -7.2768 3  396.2100308  595161404382217 4    372512 4      C-13-H3C(O)CH3
  209004.6777  0.0125 -6.7762 3   84.8937280  5951614041714 3 2    1711 7 2      C-13-H3C(O)CH3
  209018.9221  0.0157 -6.2321 3  152.5042376  5951614042317 7 1    2314 9 1      C-13-H3C(O)CH3
  209079.4730  0.0168 -5.2350 3  547.8660340  5951614044236 7 4    4235 8 4      C-13-H3C(O)CH3
  209086.2725  0.0177 -6.4595 3  178.5230196  5951614042421 4 4    2322 2 4      C-13-H3C(O)CH3
  209088.4565  0.0784 -5.4421 3  998.0095952  595161404594118 1    594019 1      C-13-H3C(O)CH3
  209089.0380  0.0245 -6.9503 3  396.2291616  595161404382217 2    372512 2      C-13-H3C(O)CH3
  209120.5938  0.0146 -6.9332 3   76.8308264  5951614041614 2 2    1611 5 2      C-13-H3C(O)CH3
  209123.9416  0.0646 -5.4419 3  998.0153952  595161404594118 2    594019 2      C-13-H3C(O)CH3
  209124.8248  0.0131 -4.9340 3  547.8966680  5951614044236 7 2    4235 8 2      C-13-H3C(O)CH3
  209134.2045  0.0125 -5.8226 3  112.2484164  5951614042014 7 3    1915 5 3      C-13-H3C(O)CH3
  209144.4893  0.0199 -6.4575 3  178.6123196  5951614042421 3 4    2322 1 4      C-13-H3C(O)CH3
  209146.4309  0.1367 -6.3166 3 1162.6123A32  595161404644322 1    644222 1      C-13-H3C(O)CH3
  209147.0270  0.0163 -5.2348 3  547.8868340  5951614044236 7 3    4235 8 3      C-13-H3C(O)CH3
  209149.5271  0.0233 -7.2309 3  396.2050308  595161404382217 3    372512 3      C-13-H3C(O)CH3
  209150.9703  0.0225 -5.3689 3  738.7837404  595161404503812 4    503713 4      C-13-H3C(O)CH3
  209158.2823  0.1298 -6.4428 3 1162.6549516  595161404644322 4    644222 4      C-13-H3C(O)CH3
  209170.1460  0.0085 -6.6669 3  337.5569292  595161404361620 4    351917 4      C-13-H3C(O)CH3
  209170.3094  0.0084 -6.6669 3  337.5569292  595161404361620 3    351917 3      C-13-H3C(O)CH3
  209175.5744  0.0131 -6.2406 3  215.3079456  595161404281612 0    2719 9 0      C-13-H3C(O)CH3
  209177.2923  0.0083 -6.3661 3  337.5847584  595161404361620 1    351917 1      C-13-H3C(O)CH3
  209186.0108  0.0116 -7.2289 3  198.9879440  595161404271512 2    2618 8 2      C-13-H3C(O)CH3
  209188.7772  0.0139 -6.5025 3  107.8462408  59516140425 124 2    25 125 2      C-13-H3C(O)CH3
  209188.7772  0.0139 -5.0061 3  107.8462408  59516140425 124 2    25 025 2      C-13-H3C(O)CH3
  209188.7772  0.0139 -6.5025 3  107.8462408  59516140425 224 2    25 025 2      C-13-H3C(O)CH3
  209188.7772  0.0139 -5.0061 3  107.8462408  59516140425 224 2    25 125 2      C-13-H3C(O)CH3
  209188.8848  0.0143 -5.6094 3  107.8466408  59516140425 224 1    25 125 1      C-13-H3C(O)CH3
  209188.8848  0.0143 -5.1129 3  107.8466408  59516140425 124 1    25 125 1      C-13-H3C(O)CH3
  209188.8848  0.0143 -5.6094 3  107.8466408  59516140425 124 1    25 025 1      C-13-H3C(O)CH3
  209188.8848  0.0143 -5.1129 3  107.8466408  59516140425 224 1    25 025 1      C-13-H3C(O)CH3
  209191.5794  0.0731 -5.4408 3  997.9626952  595161404594118 0    594019 0      C-13-H3C(O)CH3
  209193.3906  0.1298 -5.7169 3 1162.5686A32  595161404644321 0    644222 0      C-13-H3C(O)CH3
  209193.6941  0.0128 -4.9339 3  547.9173680  5951614044236 6 2    4235 7 2      C-13-H3C(O)CH3
  209194.7303  0.1374 -7.0323 3 1162.6090A32  595161404644322 2    644222 2      C-13-H3C(O)CH3
  209198.8485  0.2624 -7.0911 3  998.0506476  595161404594119 3    594019 3      C-13-H3C(O)CH3
  209200.3289  0.0161 -7.0255 3  198.9855220  595161404271512 4    2618 8 4      C-13-H3C(O)CH3
  209208.9832  0.0173 -5.0677 3  738.7526808  595161404503812 2    503713 2      C-13-H3C(O)CH3
  209211.9050  0.0185 -5.3686 3  738.7626404  595161404503813 3    503714 3      C-13-H3C(O)CH3
  209224.0372  0.0142 -4.9337 3  547.8802680  5951614044236 7 1    4235 8 1      C-13-H3C(O)CH3
  209227.7464  0.1973 -5.8427 3 1162.6123A32  595161404644321 1    644222 1      C-13-H3C(O)CH3
  209231.3254  0.0156 -5.2347 3  547.9034340  5951614044236 6 3    4235 7 3      C-13-H3C(O)CH3
  209236.4069  0.3075 -6.2229 3 1162.6549516  595161404644321 4    644222 4      C-13-H3C(O)CH3
  209238.3619  0.0084 -6.3633 3  337.5797584  595161404361620 2    351917 2      C-13-H3C(O)CH3
  209239.2389  0.0136 -7.1623 3  541.2017372  595161404461927 4    452224 4      C-13-H3C(O)CH3
  209239.3314  0.0136 -7.1623 3  541.2017372  595161404461927 3    452224 3      C-13-H3C(O)CH3
  209240.1133  0.0136 -7.1623 3  541.2017372  595161404462027 4    452124 4      C-13-H3C(O)CH3
  209240.2102  0.0136 -7.1623 3  541.2017372  595161404462027 3    452124 3      C-13-H3C(O)CH3
  209242.4484  0.0169 -6.4579 3  178.5616196  5951614042421 4 3    2322 2 3      C-13-H3C(O)CH3
  209245.0443  0.0073 -6.3635 3  337.6075584  595161404361620 0    351917 0      C-13-H3C(O)CH3
  209245.7201  0.0054 -6.2250 3   19.2449152  595161404 9 7 2 1     8 4 4 1      C-13-H3C(O)CH3
  209247.0523  0.0729 -5.4406 3  997.9605952  595161404594119 0    594020 0      C-13-H3C(O)CH3
  209260.4076  0.0191 -6.7431 3  152.5071188  5951614042317 7 3    2314 9 3      C-13-H3C(O)CH3
  209264.6442  0.0105 -5.7449 3  123.5383424  59516140426 224 0    26 225 0      C-13-H3C(O)CH3
  209264.6442  0.0105 -5.7449 3  123.5383424  59516140426 324 0    26 125 0      C-13-H3C(O)CH3
  209264.6442  0.0105 -4.7740 3  123.5383424  59516140426 224 0    26 125 0      C-13-H3C(O)CH3
  209264.6442  0.0105 -4.7740 3  123.5383424  59516140426 324 0    26 225 0      C-13-H3C(O)CH3
  209266.9897  0.1181 -5.7383 3 1162.6090A32  595161404644321 2    644222 2      C-13-H3C(O)CH3
  209267.2842  0.0124 -6.8621 3  541.2237744  595161404461927 1    452224 1      C-13-H3C(O)CH3
  209268.0882  0.0124 -6.8621 3  541.2237744  595161404462027 1    452124 1      C-13-H3C(O)CH3
  209270.8753  0.0129 -4.9338 3  547.9107680  5951614044236 7 0    4235 8 0      C-13-H3C(O)CH3
  209270.8753  0.0129 -4.9338 3  547.9107680  5951614044236 6 0    4235 7 0      C-13-H3C(O)CH3
  209273.7197  0.0057 -6.2798 3   19.2428152  595161404 9 7 2 2     8 4 4 2      C-13-H3C(O)CH3
  209275.7234  0.0602 -5.7617 3  998.0506476  595161404594118 3    594019 3      C-13-H3C(O)CH3
  209288.6199  0.0135 -6.8602 3  541.2216744  595161404461927 2    452224 2      C-13-H3C(O)CH3
  209289.4468  0.0135 -6.8602 3  541.2215744  595161404462027 2    452124 2      C-13-H3C(O)CH3
  209299.1923  0.0156 -5.2345 3  547.9241340  5951614044236 6 4    4235 7 4      C-13-H3C(O)CH3
  209303.1547  0.0171 -5.0674 3  738.7404808  595161404503812 1    503713 1      C-13-H3C(O)CH3
  209309.0939  0.1556 -7.0566 3 1162.6497516  595161404644322 3    644222 3      C-13-H3C(O)CH3
  209316.4537  0.0105 -6.8612 3  541.2435744  595161404461927 0    452224 0      C-13-H3C(O)CH3
  209317.2106  0.0105 -6.8612 3  541.2434744  595161404462027 0    452124 0      C-13-H3C(O)CH3
  209321.8883  0.0720 -5.7615 3  998.0465476  595161404594119 3    594020 3      C-13-H3C(O)CH3
  209342.4370  0.0186 -5.3683 3  738.7651404  595161404503812 3    503713 3      C-13-H3C(O)CH3
  209347.7190  0.0273 -5.5192 3  429.3720292  5951614043635 2 4    3634 3 4      C-13-H3C(O)CH3
  209348.5096  0.0160 -6.3220 3  215.2857456  595161404281612 2    2719 9 2      C-13-H3C(O)CH3
  209358.9925  0.0079 -5.3383 3  112.2306328  5951614042014 7 2    1915 5 2      C-13-H3C(O)CH3
  209359.2394  0.0215 -5.2184 3  429.4350584  5951614043635 2 2    3634 3 2      C-13-H3C(O)CH3
  209360.7388  0.0156 -5.0672 3  738.7092808  595161404503812 0    503713 0      C-13-H3C(O)CH3
  209360.8620  0.0156 -5.0672 3  738.7092808  595161404503813 0    503714 0      C-13-H3C(O)CH3
  209363.2330  0.0165 -5.0671 3  738.7193808  595161404503813 1    503714 1      C-13-H3C(O)CH3
  209377.2536  0.0130 -4.9334 3  547.9175680  5951614044236 6 1    4235 7 1      C-13-H3C(O)CH3
  209379.6901  0.0730 -5.4411 3  997.9965952  595161404594119 1    594020 1      C-13-H3C(O)CH3
  209393.7054  0.2214 -6.0592 3 1162.6497516  595161404644321 3    644222 3      C-13-H3C(O)CH3
  209398.7631  0.2842 -7.0903 3  998.0465476  595161404594118 3    594020 3      C-13-H3C(O)CH3
  209399.4476  0.0162 -5.0671 3  738.7339808  595161404503813 2    503714 2      C-13-H3C(O)CH3
  209402.2949  0.0180 -5.3680 3  738.7439404  595161404503813 4    503714 4      C-13-H3C(O)CH3
  209434.9353  0.0181 -7.1290 3   84.9146140  5951614041714 3 4    1711 7 4      C-13-H3C(O)CH3
  209444.6064  0.0723 -5.4409 3  997.9988952  595161404594119 2    594020 2      C-13-H3C(O)CH3
  209476.4804  0.0124 -6.9506 3  198.9891440  595161404271512 1    2618 8 1      C-13-H3C(O)CH3
  209519.2511  0.1827 -6.1740 3 1267.6943548  595161404683830 3    683731 3      C-13-H3C(O)CH3
  209519.4330  0.1821 -6.1740 3 1267.6944548  595161404683830 4    683731 4      C-13-H3C(O)CH3
  209548.6780  0.0077 -5.3154 3  112.2183328  5951614042014 7 1    1915 5 1      C-13-H3C(O)CH3
  209565.0811  0.0052 -6.2867 3   19.3088 76  595161404 9 7 2 4     8 4 4 4      C-13-H3C(O)CH3
  209568.4248  0.0135 -5.2631 3  107.7764408  59516140425 224 0    25 025 0      C-13-H3C(O)CH3
  209568.4248  0.0135 -5.3220 3  107.7764408  59516140425 224 0    25 125 0      C-13-H3C(O)CH3
  209568.4248  0.0135 -5.3220 3  107.7764408  59516140425 124 0    25 025 0      C-13-H3C(O)CH3
  209568.4248  0.0135 -5.2631 3  107.7764408  59516140425 124 0    25 125 0      C-13-H3C(O)CH3
  209575.5668  0.0165 -6.9054 3  396.2186616  595161404382217 1    372512 1      C-13-H3C(O)CH3
  209576.0398  0.0231 -5.2178 3  429.4304584  5951614043635 2 1    3634 3 1      C-13-H3C(O)CH3
  209588.8713  0.0198 -5.2181 3  429.4935584  5951614043635 2 0    3634 2 0      C-13-H3C(O)CH3
  209588.8713  0.0198 -5.2181 3  429.4935584  5951614043635 1 0    3634 3 0      C-13-H3C(O)CH3
  209600.6790  0.0772 -5.7409 3  998.0340476  595161404594119 4    594020 4      C-13-H3C(O)CH3
  209605.7652  0.1444 -5.8726 3 1267.6802A96  595161404683830 1    683731 1      C-13-H3C(O)CH3
  209606.2726  0.0145 -6.8961 3  396.2395616  595161404382217 0    372512 0      C-13-H3C(O)CH3
  209618.1520  0.0085 -6.3641 3  337.5701584  595161404361720 1    351817 1      C-13-H3C(O)CH3
  209620.1405  0.0249 -5.5186 3  429.4279292  5951614043635 1 3    3634 2 3      C-13-H3C(O)CH3
  209621.7542  0.0087 -6.6648 3  337.5419292  595161404361720 4    351817 4      C-13-H3C(O)CH3
  209622.7247  0.0087 -6.6648 3  337.5419292  595161404361720 3    351817 3      C-13-H3C(O)CH3
  209650.8193  0.0064 -7.0063 3   40.8226216  59516140413 6 7 2    13 310 2      C-13-H3C(O)CH3
  209651.9945  0.0183 -6.3108 3  152.5071188  5951614042317 6 3    2314 9 3      C-13-H3C(O)CH3
  209652.8545  0.0249 -5.5184 3  429.4045292  5951614043635 2 3    3634 3 3      C-13-H3C(O)CH3
  209653.1640  0.1881 -5.8725 3 1267.6842A96  595161404683830 2    683731 2      C-13-H3C(O)CH3
  209657.4008  0.1262 -5.7150 3 1162.5507A32  595161404644322 0    644223 0      C-13-H3C(O)CH3
  209666.1487  0.0210 -5.2176 3  429.4675584  5951614043635 1 2    3634 2 2      C-13-H3C(O)CH3
  209684.5069  0.0034 -4.4976 3  423.7663664 -595161404411725 0    411626 0      C-13-H3C(O)CH3
  209684.5069  0.0034 -4.4976 3  423.7663664 -595161404411625 0    411526 0      C-13-H3C(O)CH3
  209687.3518  0.0073 -6.3615 3  337.5928584  595161404361720 0    351817 0      C-13-H3C(O)CH3
  209692.1447  0.0085 -6.3612 3  337.5646584  595161404361720 2    351817 2      C-13-H3C(O)CH3
  209694.7220  0.0040 -4.4975 3  423.7370664 -595161404411625 2    411526 2      C-13-H3C(O)CH3
  209694.7220  0.0040 -4.4975 3  423.7370664 -595161404411725 2    411626 2      C-13-H3C(O)CH3
  209698.8596  0.0063 -7.0078 3   40.8233216  59516140413 6 7 1    13 310 1      C-13-H3C(O)CH3
  209701.0687  0.0039 -4.4975 3  423.7386664 -595161404411725 1    411626 1      C-13-H3C(O)CH3
  209701.0687  0.0039 -4.4975 3  423.7386664 -595161404411625 1    411526 1      C-13-H3C(O)CH3
  209711.5356  0.0042 -4.7984 3  423.7094332 -595161404411725 3    411626 3      C-13-H3C(O)CH3
  209711.5356  0.0042 -4.7984 3  423.7094332 -595161404411625 3    411526 3      C-13-H3C(O)CH3
  209711.5356  0.0042 -4.7984 3  423.7093332 -595161404411625 4    411526 4      C-13-H3C(O)CH3
  209711.5356  0.0042 -4.7984 3  423.7093332 -595161404411725 4    411626 4      C-13-H3C(O)CH3
  209727.8406  0.0137 -5.7928 3  159.3739376  5951614042319 5 0    2220 2 0      C-13-H3C(O)CH3
  209728.4393  0.0031 -7.2910 3   95.6874312  5951614041911 9 2    1812 7 2      C-13-H3C(O)CH3
  209728.4715  0.0137 -5.7928 3  159.3739376  5951614042319 4 0    2220 3 0      C-13-H3C(O)CH3
  209738.5098  0.1466 -5.8722 3 1267.6701A96  595161404683830 0    683731 0      C-13-H3C(O)CH3
  209771.1983  0.0152 -6.2432 3  152.4921376  5951614042317 7 2    2314 9 2      C-13-H3C(O)CH3
  209772.0250  0.2372 -5.8405 3 1162.5914A32  595161404644322 1    644223 1      C-13-H3C(O)CH3
  209794.8393  0.0519 -5.6523 3  978.5739484  595161404603228 3    603129 3      C-13-H3C(O)CH3
  209794.9462  0.0520 -5.6523 3  978.5739484  595161404603228 4    603129 4      C-13-H3C(O)CH3
  209809.2435  0.1961 -5.7362 3 1162.5885A32  595161404644322 2    644223 2      C-13-H3C(O)CH3
  209826.9950  0.0406 -5.3512 3  978.5631968  595161404603228 1    603129 1      C-13-H3C(O)CH3
  209830.2384  0.1665 -6.0574 3 1162.6323516  595161404644322 3    644223 3      C-13-H3C(O)CH3
  209831.6658  0.0513 -5.3512 3  978.5644968  595161404603228 2    603129 2      C-13-H3C(O)CH3
  209839.5099  0.0032 -7.1165 3   95.6868312  5951614041911 9 1    1812 7 1      C-13-H3C(O)CH3
  209840.0782  0.0015 -4.3668 3   60.9467132 -59516140416 610 3    15 7 9 3      C-13-H3C(O)CH3
  209840.4394  0.0016 -4.3668 3   60.9467132 -59516140416 610 4    15 7 9 4      C-13-H3C(O)CH3
  209850.8403  0.0214 -5.2172 3  429.4863584  5951614043635 1 1    3634 2 1      C-13-H3C(O)CH3
  209853.3405  0.1305 -6.3144 3 1162.5914A32  595161404644321 1    644223 1      C-13-H3C(O)CH3
  209857.3106  0.0168 -5.2709 3  639.2409372  595161404463710 3    463611 3      C-13-H3C(O)CH3
  209860.1997  0.0054 -7.0699 3   97.9285156  5951614041912 8 3    1813 6 3      C-13-H3C(O)CH3
  209863.4608  0.0398 -5.3512 3  978.5537968  595161404603228 0    603129 0      C-13-H3C(O)CH3
  209869.2897  0.0193 -6.5795 3  215.2655228  595161404281612 3    2719 9 3      C-13-H3C(O)CH3
  209881.5029  0.2262 -7.0307 3 1162.5885A32  595161404644321 2    644223 2      C-13-H3C(O)CH3
  209890.4019  0.0108 -6.1741 3   32.3735 92  59516140411 9 2 4    10 8 3 4      C-13-H3C(O)CH3
  209892.1796  0.0147 -4.9700 3  639.2499744  5951614044637 9 2    463610 2      C-13-H3C(O)CH3
  209909.0168  0.0189 -5.2709 3  639.2690372  5951614044637 9 4    463610 4      C-13-H3C(O)CH3
  209914.8499  0.1949 -7.0543 3 1162.6323516  595161404644321 3    644223 3      C-13-H3C(O)CH3
  209922.3571  0.0016 -4.0657 3   60.9073264 -59516140416 610 1    15 7 9 1      C-13-H3C(O)CH3
  209924.1983  0.0267 -5.4738 3  820.5364428  595161404533914 4    533815 4      C-13-H3C(O)CH3
  209924.4783  0.0380 -5.5988 3  906.9541452  595161404564016 4    563917 4      C-13-H3C(O)CH3
  209924.5044  0.0016 -4.0659 3   60.9057264 -59516140416 610 2    15 7 9 2      C-13-H3C(O)CH3
  209927.4891  0.0155 -5.2707 3  639.2224372  595161404463710 4    463611 4      C-13-H3C(O)CH3
  209927.8032  0.0252 -5.5178 3  429.4604292  5951614043635 1 4    3634 2 4      C-13-H3C(O)CH3
  209934.6098  0.0061 -7.0021 3   40.7675216  59516140413 6 7 0    13 310 0      C-13-H3C(O)CH3
  209935.6305  0.0015 -4.3663 3   60.9441132 -59516140416 710 4    15 6 9 4      C-13-H3C(O)CH3
  209936.2911  0.0015 -4.3663 3   60.9441132 -59516140416 710 3    15 6 9 3      C-13-H3C(O)CH3
  209959.9341  0.0121 -5.7908 3  159.3683376  5951614042319 4 2    2220 2 2      C-13-H3C(O)CH3
  209961.7102  0.0136 -4.9697 3  639.2315744  595161404463710 2    463611 2      C-13-H3C(O)CH3
  209962.6150  0.0485 -5.6517 3  978.5747484  595161404603328 4    603229 4      C-13-H3C(O)CH3
  209962.7614  0.0483 -5.6517 3  978.5747484  595161404603328 3    603229 3      C-13-H3C(O)CH3
  209979.7850  0.0168 -5.2707 3  639.2507372  5951614044637 9 3    463610 3      C-13-H3C(O)CH3
  209983.8411  0.0063 -4.7815 3  634.1576792  595161404492326 0    492227 0      C-13-H3C(O)CH3
  209984.1958  0.0063 -4.7815 3  634.1576792  595161404492426 0    492327 0      C-13-H3C(O)CH3
  209986.4803  0.0402 -5.3506 3  978.5639968  595161404603328 1    603229 1      C-13-H3C(O)CH3
  209987.1805  0.4381 -6.2201 3 1162.6273516  595161404644322 4    644223 4      C-13-H3C(O)CH3
  209989.0091  0.0141 -4.9696 3  639.2140744  595161404463710 1    463611 1      C-13-H3C(O)CH3
  209989.0569  0.0475 -5.3506 3  978.5652968  595161404603328 2    603229 2      C-13-H3C(O)CH3
  210006.4141  0.0016 -4.0658 3   60.8664264 -59516140416 610 0    15 7 9 0      C-13-H3C(O)CH3
  210010.0492  0.2242 -6.1646 3 1416.4008B44  595161404714626 0    714527 0      C-13-H3C(O)CH3
  210012.9189  0.0391 -5.3506 3  978.5544968  595161404603328 0    603229 0      C-13-H3C(O)CH3
  210015.9921  0.0072 -5.6977 3   97.9055312  5951614041912 8 2    1813 6 2      C-13-H3C(O)CH3
  210016.8974  0.0094 -4.7813 3  634.1428792  595161404492326 2    492227 2      C-13-H3C(O)CH3
  210017.2890  0.0094 -4.7813 3  634.1428792  595161404492426 2    492327 2      C-13-H3C(O)CH3
  210019.5319  0.0016 -4.0652 3   60.9046264 -59516140416 710 1    15 6 9 1      C-13-H3C(O)CH3
  210020.5004  0.0088 -5.3343 3  112.2928328  5951614042014 6 2    1915 4 2      C-13-H3C(O)CH3
  210021.5958  0.0069 -4.7812 3  634.1440792  595161404492326 1    492227 1      C-13-H3C(O)CH3
  210021.9017  0.0238 -5.1725 3  820.4978856  595161404533914 2    533815 2      C-13-H3C(O)CH3
  210021.9818  0.0069 -4.7812 3  634.1440792  595161404492426 1    492327 1      C-13-H3C(O)CH3
  210024.2621  0.0016 -4.0654 3   60.9030264 -59516140416 710 2    15 6 9 2      C-13-H3C(O)CH3
  210024.3220  0.0139 -4.9697 3  639.2230744  5951614044637 9 0    463610 0      C-13-H3C(O)CH3
  210024.3238  0.0139 -4.9697 3  639.2230744  595161404463710 0    463611 0      C-13-H3C(O)CH3
  210030.2402  0.0044 -6.9380 3   95.6978156  5951614041911 9 4    1812 7 4      C-13-H3C(O)CH3
  210035.9454  0.0123 -5.5637 3  112.3193164  5951614042014 6 4    1915 4 4      C-13-H3C(O)CH3
  210041.8580  0.0151 -4.9696 3  639.2421744  5951614044637 9 1    463610 1      C-13-H3C(O)CH3
  210047.6567  0.0391 -5.2973 3  906.9098904  595161404564016 2    563917 2      C-13-H3C(O)CH3
  210053.4399  0.0457 -5.2973 3  906.8998904  595161404564016 1    563917 1      C-13-H3C(O)CH3
  210054.7205  0.0097 -5.0820 3  634.1292396  595161404492326 3    492227 3      C-13-H3C(O)CH3
  210054.8119  0.0098 -5.0820 3  634.1292396  595161404492326 4    492227 4      C-13-H3C(O)CH3
  210055.1468  0.0097 -5.0820 3  634.1292396  595161404492426 3    492327 3      C-13-H3C(O)CH3
  210055.2359  0.0098 -5.0820 3  634.1292396  595161404492426 4    492327 4      C-13-H3C(O)CH3
  210062.5698  0.0166 -5.0693 3  814.1873888  595161404552827 0    552728 0      C-13-H3C(O)CH3
  210063.3531  0.0229 -5.4735 3  820.5195428  595161404533915 3    533815 3      C-13-H3C(O)CH3
  210065.3052  0.2328 -6.4401 3 1162.6273516  595161404644321 4    644223 4      C-13-H3C(O)CH3
  210066.9788  0.0235 -5.0691 3  814.1886888  595161404552827 2    552728 2      C-13-H3C(O)CH3
  210068.5884  0.0178 -5.0691 3  814.1887888  595161404552827 1    552728 1      C-13-H3C(O)CH3
  210071.5174  0.0132 -5.7916 3  159.2989376  5951614042319 5 1    2220 3 1      C-13-H3C(O)CH3
  210072.7987  0.0255 -5.1723 3  820.4857856  595161404533914 1    533815 1      C-13-H3C(O)CH3
  210072.9575  0.0243 -5.3701 3  814.1899444  595161404552827 3    552728 3      C-13-H3C(O)CH3
  210073.0456  0.0244 -5.3701 3  814.1899444  595161404552827 4    552728 4      C-13-H3C(O)CH3
  210076.7930  0.0166 -5.0692 3  814.1874888  595161404552927 0    552828 0      C-13-H3C(O)CH3
  210082.2689  0.0232 -5.0691 3  814.1887888  595161404552927 2    552828 2      C-13-H3C(O)CH3
  210083.9296  0.0178 -5.0691 3  814.1887888  595161404552927 1    552828 1      C-13-H3C(O)CH3
  210089.4497  0.0240 -5.3700 3  814.1900444  595161404552927 3    552828 3      C-13-H3C(O)CH3
  210089.4892  0.0241 -5.3700 3  814.1900444  595161404552927 4    552828 4      C-13-H3C(O)CH3
  210095.9545  0.3778 -6.1733 3 1416.4230B44  595161404714626 2    714527 2      C-13-H3C(O)CH3
  210107.6488  0.0016 -4.0653 3   60.8636264 -59516140416 710 0    15 6 9 0      C-13-H3C(O)CH3
  210113.0880  0.0130 -5.7905 3  159.3522376  5951614042319 4 1    2220 2 1      C-13-H3C(O)CH3
  210116.0375  0.0097 -5.5650 3  112.1862164  5951614042014 7 4    1915 5 4      C-13-H3C(O)CH3
  210119.9762  0.0166 -6.3641 3  215.2736456  595161404281612 1    2719 9 1      C-13-H3C(O)CH3
  210139.8986  0.0332 -5.5983 3  906.9401452  595161404564016 3    563917 3      C-13-H3C(O)CH3
  210163.0007  0.0134 -5.7904 3  159.3104376  5951614042319 5 2    2220 3 2      C-13-H3C(O)CH3
  210167.7272  0.7105 -6.9142 3 1821.5071D04  595161404815032 2    814933 2      C-13-H3C(O)CH3
  210169.6998  0.0255 -5.1720 3  820.4471856  595161404533914 0    533815 0      C-13-H3C(O)CH3
  210170.8341  0.0255 -5.1720 3  820.4470856  595161404533915 0    533816 0      C-13-H3C(O)CH3
  210172.2220  0.0455 -5.2968 3  906.8557904  595161404564016 0    563917 0      C-13-H3C(O)CH3
  210176.7951  0.0230 -5.4732 3  820.5184428  595161404533914 3    533816 3      C-13-H3C(O)CH3
  210179.7333  0.2523 -6.1659 3 1416.4330B44  595161404714626 1    714527 1      C-13-H3C(O)CH3
  210180.8610  0.0455 -5.2968 3  906.8554904  595161404564017 0    563918 0      C-13-H3C(O)CH3
  210184.8485  0.4441 -6.6794 3 1695.9240C56  595161404784930 0    784831 0      C-13-H3C(O)CH3
  210193.7289  0.6169 -6.6798 3 1695.9287C56  595161404784930 2    784831 2      C-13-H3C(O)CH3
  210201.4564  0.6114 -6.9140 3 1821.5076D04  595161404815032 0    814933 0      C-13-H3C(O)CH3
  210206.4143  0.0092 -5.3107 3  112.2890328  5951614042014 6 1    1915 4 1      C-13-H3C(O)CH3
  210211.4261  0.0273 -5.1718 3  820.4688856  595161404533915 1    533816 1      C-13-H3C(O)CH3
  210220.2157  0.0385 -5.5981 3  906.9368452  595161404564017 3    563918 3      C-13-H3C(O)CH3
  210257.4380  0.4983 -6.4834 3 1416.4555572  595161404714626 4    714527 4      C-13-H3C(O)CH3
  210268.9643  0.0465 -5.2966 3  906.8858904  595161404564017 1    563918 1      C-13-H3C(O)CH3
  210272.5732  0.3246 -6.4681 3 1416.4553572  595161404714626 3    714527 3      C-13-H3C(O)CH3
  210273.7929  0.0243 -5.1717 3  820.4798856  595161404533915 2    533816 2      C-13-H3C(O)CH3
  210297.0311  0.0072 -5.6321 3   97.8980312  5951614041912 8 1    1813 6 1      C-13-H3C(O)CH3
  210300.9574  0.0139 -6.0906 3  159.2933188  5951614042319 5 3    2220 2 3      C-13-H3C(O)CH3
  210310.8628  0.0253 -5.4770 3  412.5809568  5951614043535 1 2    3534 2 2      C-13-H3C(O)CH3
  210314.8288  0.0261 -5.4726 3  820.5015428  595161404533915 4    533816 4      C-13-H3C(O)CH3
  210317.3217  0.0314 -5.7777 3  412.5128284  5951614043535 1 4    3534 2 4      C-13-H3C(O)CH3
  210342.9150  0.0415 -5.2964 3  906.8925904  595161404564017 2    563918 2      C-13-H3C(O)CH3
  210344.6794  0.0161 -6.0895 3  159.3466188  5951614042319 4 4    2220 2 4      C-13-H3C(O)CH3
  210402.8892  0.5696 -7.2145 3 1821.5120652  595161404815032 3    814933 3      C-13-H3C(O)CH3
  210410.9810  0.5643 -7.2144 3 1821.5121652  595161404815032 4    814933 4      C-13-H3C(O)CH3
  210420.0066  0.4341 -6.6788 3 1695.9388C56  595161404784930 1    784831 1      C-13-H3C(O)CH3
  210424.1624  0.5669 -6.9804 3 1695.9434628  595161404784930 3    784831 3      C-13-H3C(O)CH3
  210425.3034  0.0156 -7.1413 3   76.6675132  5951614041614 3 4    1611 6 4      C-13-H3C(O)CH3
  210433.3849  0.5803 -6.9800 3 1695.9437628  595161404784930 4    784831 4      C-13-H3C(O)CH3
  210434.6143  0.0433 -5.5972 3  906.9229452  595161404564017 4    563918 4      C-13-H3C(O)CH3
  210441.0201  0.5603 -6.9133 3 1821.5126D04  595161404815032 1    814933 1      C-13-H3C(O)CH3
  210477.1309  0.0242 -6.7127 3  215.2457228  595161404281612 4    2719 9 4      C-13-H3C(O)CH3
  210501.1581  0.0140 -6.0903 3  159.2355188  5951614042319 5 4    2220 3 4      C-13-H3C(O)CH3
  210527.3734  0.0093 -6.3836 3  236.6865244  595161404301516 4    291613 4      C-13-H3C(O)CH3
  210530.7334  0.0078 -5.2242 3  112.2619328  5951614042014 6 0    1915 5 0      C-13-H3C(O)CH3
  210536.9191  0.0095 -6.3836 3  236.6862244  595161404301516 3    291613 3      C-13-H3C(O)CH3
  210539.2318  0.0081 -6.0824 3  236.7056488  595161404301516 1    291613 1      C-13-H3C(O)CH3
  210543.7210  0.0231 -5.4768 3  412.6485568  5951614043535 1 0    3534 1 0      C-13-H3C(O)CH3
  210543.7210  0.0231 -5.4768 3  412.6485568  5951614043535 0 0    3534 2 0      C-13-H3C(O)CH3
  210545.4230  0.0133 -6.0892 3  159.2887188  5951614042319 4 3    2220 3 3      C-13-H3C(O)CH3
  210549.0399  0.0271 -5.4764 3  412.5803568  5951614043535 1 1    3534 2 1      C-13-H3C(O)CH3
  210584.9882  0.0181 -5.2525 3  528.0095332  5951614044136 6 4    4135 7 4      C-13-H3C(O)CH3
  210599.7041  0.0038 -4.4690 3  399.1418648 -595161404401625 2    401526 2      C-13-H3C(O)CH3
  210599.7041  0.0038 -4.4690 3  399.1418648 -595161404401525 2    401426 2      C-13-H3C(O)CH3
  210600.0824  0.0032 -4.4691 3  399.1710648 -595161404401525 0    401426 0      C-13-H3C(O)CH3
  210600.0824  0.0032 -4.4691 3  399.1710648 -595161404401625 0    401526 0      C-13-H3C(O)CH3
  210603.8426  0.0297 -5.7771 3  412.5735284  5951614043535 0 3    3534 1 3      C-13-H3C(O)CH3
  210605.6423  0.0040 -4.7700 3  399.1141324 -595161404401525 4    401426 4      C-13-H3C(O)CH3
  210605.6423  0.0040 -4.7700 3  399.1141324 -595161404401625 4    401526 4      C-13-H3C(O)CH3
  210605.6423  0.0040 -4.7700 3  399.1141324 -595161404401525 3    401426 3      C-13-H3C(O)CH3
  210605.6423  0.0040 -4.7700 3  399.1141324 -595161404401625 3    401526 3      C-13-H3C(O)CH3
  210605.9288  0.0038 -4.4690 3  399.1433648 -595161404401625 1    401526 1      C-13-H3C(O)CH3
  210605.9288  0.0038 -4.4690 3  399.1433648 -595161404401525 1    401426 1      C-13-H3C(O)CH3
  210610.5306  0.0944 -5.8988 3 1118.6986516  595161404643529 3    643430 3      C-13-H3C(O)CH3
  210610.6830  0.0943 -5.8988 3 1118.6987516  595161404643529 4    643430 4      C-13-H3C(O)CH3
  210616.7619  0.0105 -6.0581 3  198.9533440  595161404271512 0    2618 9 0      C-13-H3C(O)CH3
  210623.7388  0.0136 -4.9516 3  528.0461664  5951614044136 6 2    4135 7 2      C-13-H3C(O)CH3
  210663.5791  0.0253 -5.4762 3  412.6181568  5951614043535 0 2    3534 1 2      C-13-H3C(O)CH3
  210664.7230  0.0016 -4.2659 3   65.0460140 -59516140417 512 3    16 611 3      C-13-H3C(O)CH3
  210664.7230  0.0016 -4.2659 3   65.0460140 -59516140417 512 4    16 611 4      C-13-H3C(O)CH3
  210665.7066  0.0016 -4.2659 3   65.0460140 -59516140417 612 4    16 511 4      C-13-H3C(O)CH3
  210665.7066  0.0016 -4.2659 3   65.0460140 -59516140417 612 3    16 511 3      C-13-H3C(O)CH3
  210668.3698  0.0297 -5.7769 3  412.5500284  5951614043535 1 3    3534 2 3      C-13-H3C(O)CH3
  210670.6002  0.0750 -5.5976 3 1118.6843A32  595161404643529 1    643430 1      C-13-H3C(O)CH3
  210687.6300  0.0950 -5.5975 3 1118.6869A32  595161404643529 2    643430 2      C-13-H3C(O)CH3
  210702.8769  0.0167 -5.2522 3  528.0320332  5951614044136 6 3    4135 7 3      C-13-H3C(O)CH3
  210706.3894  0.0163 -6.1221 3  152.5042376  5951614042317 6 1    2314 9 1      C-13-H3C(O)CH3
  210734.0310  0.0017 -3.9647 3   65.0056280 -59516140417 512 1    16 611 1      C-13-H3C(O)CH3
  210735.0742  0.0017 -3.9647 3   65.0056280 -59516140417 612 1    16 511 1      C-13-H3C(O)CH3
  210735.4315  0.0017 -3.9648 3   65.0045280 -59516140417 512 2    16 611 2      C-13-H3C(O)CH3
  210736.4704  0.0017 -3.9648 3   65.0045280 -59516140417 612 2    16 511 2      C-13-H3C(O)CH3
  210738.8314  0.0078 -6.0784 3  236.6951488  595161404301516 2    291613 2      C-13-H3C(O)CH3
  210742.9321  0.0066 -6.0782 3  236.7144488  595161404301516 0    291613 0      C-13-H3C(O)CH3
  210743.1367  0.0130 -4.9513 3  528.0684664  5951614044136 5 2    4135 6 2      C-13-H3C(O)CH3
  210746.9397  0.0750 -5.5973 3 1118.6726A32  595161404643529 0    643430 0      C-13-H3C(O)CH3
  210748.6469  0.0122 -6.0893 3  198.9358440  595161404271512 2    2618 9 2      C-13-H3C(O)CH3
  210752.0481  0.0146 -4.9512 3  528.0314664  5951614044136 6 1    4135 7 1      C-13-H3C(O)CH3
  210763.2983  0.0160 -5.2521 3  528.0508332  5951614044136 5 3    4135 6 3      C-13-H3C(O)CH3
  210792.2620  0.0130 -4.9514 3  528.0679664  5951614044136 6 0    4135 7 0      C-13-H3C(O)CH3
  210792.2620  0.0130 -4.9514 3  528.0679664  5951614044136 5 0    4135 6 0      C-13-H3C(O)CH3
  210804.6151  0.0016 -3.9646 3   64.9642280 -59516140417 512 0    16 611 0      C-13-H3C(O)CH3
  210805.6704  0.0016 -3.9646 3   64.9642280 -59516140417 612 0    16 511 0      C-13-H3C(O)CH3
  210816.1872  0.5062 -6.8953 3 1814.4750D04  595161404814933 2    814834 2      C-13-H3C(O)CH3
  210838.0103  0.0256 -5.4758 3  412.6411568  5951614043535 0 1    3534 1 1      C-13-H3C(O)CH3
  210840.3812  0.5737 -6.8952 3 1814.4748D04  595161404814933 0    814834 0      C-13-H3C(O)CH3
  210858.9102  0.0096 -5.3370 3  269.5440504  595161404312011 1    311714 1      C-13-H3C(O)CH3
  210881.9631  0.0156 -5.2518 3  528.0731332  5951614044136 5 4    4135 6 4      C-13-H3C(O)CH3
  210887.2090  0.0086 -5.3356 3  269.5583504  595161404312011 0    311714 0      C-13-H3C(O)CH3
  210906.3650  0.2353 -6.4717 3 1592.1366C24  595161404764532 2    764433 2      C-13-H3C(O)CH3
  210908.7131  0.0020 -6.0268 3   36.7599100  59516140412 8 4 4    11 7 4 4      C-13-H3C(O)CH3
  210916.2861  0.3073 -6.4716 3 1592.1294C24  595161404764532 0    764433 0      C-13-H3C(O)CH3
  210930.7935  0.0128 -5.8748 3  152.4892376  5951614042317 6 0    2314 9 0      C-13-H3C(O)CH3
  210931.9913  0.0129 -4.9508 3  528.0726664  5951614044136 5 1    4135 6 1      C-13-H3C(O)CH3
  210935.7660  0.0070 -5.6384 3  269.5201252  595161404312011 4    311714 4      C-13-H3C(O)CH3
  210955.3503  0.0225 -6.4355 3  152.5075188  5951614042317 6 4    2314 9 4      C-13-H3C(O)CH3
  210956.2067  0.0061 -7.0032 3   40.8226216  59516140413 7 7 2    13 410 2      C-13-H3C(O)CH3
  210957.9067  0.0307 -5.7763 3  412.6107284  5951614043535 0 4    3534 1 4      C-13-H3C(O)CH3
  210958.1778  0.0128 -5.6387 3  269.5199252  595161404312011 3    311714 3      C-13-H3C(O)CH3
  210959.6123  0.1894 -6.7725 3 1592.1392612  595161404764532 3    764433 3      C-13-H3C(O)CH3
  210959.8420  0.1903 -6.7725 3 1592.1392612  595161404764532 4    764433 4      C-13-H3C(O)CH3
  210969.8142  0.2933 -6.4714 3 1592.1319C24  595161404764532 1    764433 1      C-13-H3C(O)CH3
  210979.5123  0.0092 -5.3362 3  269.5342504  595161404312011 2    311714 2      C-13-H3C(O)CH3
  210981.7379  0.0060 -7.0048 3   40.8233216  59516140413 7 7 1    13 410 1      C-13-H3C(O)CH3
  210992.1500  0.3169 -7.1958 3 1814.4740652  595161404814933 3    814834 3      C-13-H3C(O)CH3
  210995.4141  0.3135 -7.1958 3 1814.4740652  595161404814933 4    814834 4      C-13-H3C(O)CH3
  211001.8978  0.0022 -6.2488 3   36.7057200  59516140412 8 4 1    11 7 4 1      C-13-H3C(O)CH3
  211014.0622  0.0024 -6.3628 3   36.7021200  59516140412 8 4 2    11 7 4 2      C-13-H3C(O)CH3
  211018.7359  0.5168 -6.8947 3 1814.4738D04  595161404814933 1    814834 1      C-13-H3C(O)CH3
  211027.8549  0.0126 -5.8119 3  112.2570164  5951614042014 6 3    1915 4 3      C-13-H3C(O)CH3
  211053.1237  0.0056 -6.2996 3  222.8457236  595161404291415 3    281712 3      C-13-H3C(O)CH3
  211060.2116  0.0056 -6.2995 3  222.8455236  595161404291415 4    281712 4      C-13-H3C(O)CH3
  211086.2884  0.0108 -6.3496 3  112.1538164  5951614042014 7 4    201110 4      C-13-H3C(O)CH3
  211107.3502  0.0058 -5.9976 3  222.8614472  595161404291415 1    281712 1      C-13-H3C(O)CH3
  211110.0516  0.0103 -5.7652 3   97.8844156  5951614041912 8 4    1813 6 4      C-13-H3C(O)CH3
  211112.5118  0.0161 -6.1183 3  152.4921376  5951614042317 6 2    2314 9 2      C-13-H3C(O)CH3
  211117.2570  0.0057 -5.9951 3  222.8568472  595161404291415 2    281712 2      C-13-H3C(O)CH3
  211149.1272  0.0142 -6.3670 3  198.9200220  595161404271512 3    2618 9 3      C-13-H3C(O)CH3
  211169.0993  0.0055 -5.9942 3  222.8725472  595161404291415 0    281712 0      C-13-H3C(O)CH3
  211210.3272  0.2038 -6.3615 3 1233.4926A64  595161404664423 1    664323 1      C-13-H3C(O)CH3
  211213.2848  0.1606 -6.4590 3 1425.5370580  595161404724231 4    724132 4      C-13-H3C(O)CH3
  211213.7060  0.1595 -6.4590 3 1425.5370580  595161404724231 3    724132 3      C-13-H3C(O)CH3
  211224.0944  0.1672 -6.1580 3 1425.5297B60  595161404724231 2    724132 2      C-13-H3C(O)CH3
  211226.4845  0.0786 -5.8964 3 1118.7021516  595161404643629 4    643530 4      C-13-H3C(O)CH3
  211226.8234  0.0782 -5.8964 3 1118.7021516  595161404643629 3    643530 3      C-13-H3C(O)CH3
  211238.6110  0.1892 -6.1579 3 1425.5252B60  595161404724231 1    724132 1      C-13-H3C(O)CH3
  211239.3942  0.2529 -6.4071 3 1233.5294532  595161404664423 4    664323 4      C-13-H3C(O)CH3
  211249.4713  0.1924 -6.1579 3 1425.5180B60  595161404724231 0    724132 0      C-13-H3C(O)CH3
  211250.6222  0.2411 -6.4663 3 1233.4866A64  595161404664423 2    664323 2      C-13-H3C(O)CH3
  211259.6442  0.0059 -6.9990 3   40.7675216  59516140413 7 7 0    13 410 0      C-13-H3C(O)CH3
  211264.2600  0.0709 -5.5952 3 1118.6876A32  595161404643629 1    643530 1      C-13-H3C(O)CH3
  211270.0741  0.0775 -5.5952 3 1118.6901A32  595161404643629 2    643530 2      C-13-H3C(O)CH3
  211285.0574  0.1588 -5.8358 3 1233.4508A64  595161404664422 0    664323 0      C-13-H3C(O)CH3
  211287.1745  0.0159 -5.8331 3  112.2484164  5951614042014 6 3    1915 5 3      C-13-H3C(O)CH3
  211307.8538  0.0703 -5.5951 3 1118.6756A32  595161404643629 0    643530 0      C-13-H3C(O)CH3
  211332.8664  0.0132 -6.1130 3  198.9272440  595161404271512 1    2618 9 1      C-13-H3C(O)CH3
  211341.9964  0.6463 -6.9856 3 1862.0049D20  595161404825033 2    824934 2      C-13-H3C(O)CH3
  211379.4886  0.2528 -5.9895 3 1233.4926A64  595161404664422 1    664323 1      C-13-H3C(O)CH3
  211381.5575  0.6513 -6.9854 3 1862.0064D20  595161404825033 0    824934 0      C-13-H3C(O)CH3
  211414.2478  0.2237 -5.9515 3 1233.4866A64  595161404664422 2    664323 2      C-13-H3C(O)CH3
  211426.0278  0.0037 -4.7449 3  375.0994316 -595161404391525 3    391426 3      C-13-H3C(O)CH3
  211426.0278  0.0038 -4.7448 3  375.0994316 -595161404391525 4    391426 4      C-13-H3C(O)CH3
  211426.0278  0.0038 -4.7448 3  375.0994316 -595161404391425 4    391326 4      C-13-H3C(O)CH3
  211426.0278  0.0037 -4.7449 3  375.0994316 -595161404391425 3    391326 3      C-13-H3C(O)CH3
  211433.3678  0.0037 -4.4438 3  375.1264632 -595161404391425 2    391326 2      C-13-H3C(O)CH3
  211433.3678  0.0037 -4.4438 3  375.1264632 -595161404391525 2    391426 2      C-13-H3C(O)CH3
  211439.4698  0.0037 -4.4438 3  375.1278632 -595161404391525 1    391426 1      C-13-H3C(O)CH3
  211439.4698  0.0037 -4.4438 3  375.1278632 -595161404391425 1    391326 1      C-13-H3C(O)CH3
  211446.8190  0.0031 -4.4438 3  375.1548632 -595161404391425 0    391326 0      C-13-H3C(O)CH3
  211446.8190  0.0031 -4.4438 3  375.1548632 -595161404391525 0    391426 0      C-13-H3C(O)CH3
  211484.6915  0.1968 -6.1409 3 1233.5275532  595161404664422 3    664323 3      C-13-H3C(O)CH3
  211493.3156  0.0056 -4.7336 3  604.9458776  595161404482226 0    482127 0      C-13-H3C(O)CH3
  211493.4342  0.0056 -4.7336 3  604.9458776  595161404482326 0    482227 0      C-13-H3C(O)CH3
  211507.2380  0.4402 -6.4709 3 1233.5294532  595161404664422 4    664323 4      C-13-H3C(O)CH3
  211529.1781  0.0080 -4.7334 3  604.9282776  595161404482226 2    482127 2      C-13-H3C(O)CH3
  211529.3100  0.0080 -4.7334 3  604.9282776  595161404482326 2    482227 2      C-13-H3C(O)CH3
  211533.9869  0.0062 -4.7334 3  604.9295776  595161404482226 1    482127 1      C-13-H3C(O)CH3
  211534.1164  0.0062 -4.7334 3  604.9295776  595161404482326 1    482227 1      C-13-H3C(O)CH3
  211550.4507  0.4457 -7.2860 3 1862.0049660  595161404825033 3    824934 3      C-13-H3C(O)CH3
  211552.1649  0.1186 -6.1660 3 1267.7075548  595161404683930 4    683831 4      C-13-H3C(O)CH3
  211552.6637  0.1179 -6.1660 3 1267.7075548  595161404683930 3    683831 3      C-13-H3C(O)CH3
  211555.6368  0.4408 -7.2860 3 1862.0050660  595161404825033 4    824934 4      C-13-H3C(O)CH3
  211566.4638  0.0297 -7.2113 3  447.4293648  595161404402515 0    392812 0      C-13-H3C(O)CH3
  211569.9237  0.0083 -5.0341 3  604.9118388  595161404482226 3    482127 3      C-13-H3C(O)CH3
  211570.0073  0.0084 -5.0341 3  604.9118388  595161404482226 4    482127 4      C-13-H3C(O)CH3
  211570.0679  0.0083 -5.0341 3  604.9118388  595161404482326 3    482227 3      C-13-H3C(O)CH3
  211570.1505  0.0084 -5.0341 3  604.9118388  595161404482326 4    482227 4      C-13-H3C(O)CH3
  211590.6297  0.1186 -5.8648 3 1267.6929A96  595161404683930 1    683831 1      C-13-H3C(O)CH3
  211593.2744  0.5846 -6.9848 3 1862.0065D20  595161404825033 1    824934 1      C-13-H3C(O)CH3
  211594.3442  0.1183 -5.8648 3 1267.6965A96  595161404683930 2    683831 2      C-13-H3C(O)CH3
  211632.8719  0.1189 -5.8647 3 1267.6820A96  595161404683930 0    683831 0      C-13-H3C(O)CH3
  211640.8323  0.0017 -4.1863 3   68.5716148 -59516140418 514 3    17 413 3      C-13-H3C(O)CH3
  211640.8323  0.0017 -4.1863 3   68.5716148 -59516140418 414 3    17 513 3      C-13-H3C(O)CH3
  211640.8323  0.0017 -4.1863 3   68.5717148 -59516140418 414 4    17 513 4      C-13-H3C(O)CH3
  211640.8323  0.0017 -4.1863 3   68.5717148 -59516140418 514 4    17 413 4      C-13-H3C(O)CH3
  211679.7449  0.0190 -6.4599 3  198.9028220  595161404271512 4    2618 9 4      C-13-H3C(O)CH3
  211698.4933  0.0018 -3.8850 3   68.5286296 -59516140418 414 1    17 513 1      C-13-H3C(O)CH3
  211698.4933  0.0018 -3.8850 3   68.5286296 -59516140418 514 1    17 413 1      C-13-H3C(O)CH3
  211699.1794  0.0018 -3.8851 3   68.5279296 -59516140418 514 2    17 413 2      C-13-H3C(O)CH3
  211699.1794  0.0018 -3.8851 3   68.5279296 -59516140418 414 2    17 513 2      C-13-H3C(O)CH3
  211703.2823  0.0079 -5.8312 3  127.9675180  595161404221211 4    2113 8 4      C-13-H3C(O)CH3
  211704.6297  0.0220 -5.3430 3  714.8532396  595161404493811 4    493712 4      C-13-H3C(O)CH3
  211727.5820  0.0182 -5.3428 3  714.8310396  595161404493812 3    493713 3      C-13-H3C(O)CH3
  211729.6701  0.0084 -5.8308 3  127.9666180  595161404221211 3    2113 8 3      C-13-H3C(O)CH3
  211742.3835  0.0165 -5.0419 3  714.8253792  595161404493811 2    493712 2      C-13-H3C(O)CH3
  211756.7342  0.0017 -3.8849 3   68.4850296 -59516140418 514 0    17 413 0      C-13-H3C(O)CH3
  211756.7342  0.0017 -3.8849 3   68.4850296 -59516140418 414 0    17 513 0      C-13-H3C(O)CH3
  211791.8488  0.2762 -6.6807 3 1063.6883492  595161404614220 4    614120 4      C-13-H3C(O)CH3
  211806.2510  0.0879 -5.9135 3 1063.6883492  595161404614219 4    614120 4      C-13-H3C(O)CH3
  211816.7487  0.0131 -6.9043 3   76.6540264  5951614041614 3 1    1611 6 1      C-13-H3C(O)CH3
  211834.7913  0.0169 -5.2620 3  617.3638364  5951614044537 9 3    453610 3      C-13-H3C(O)CH3
  211856.3699  0.0184 -5.3425 3  714.8364396  595161404493811 3    493712 3      C-13-H3C(O)CH3
  211857.3888  0.0161 -5.2619 3  617.3454364  5951614044537 9 4    453610 4      C-13-H3C(O)CH3
  211858.8155  0.0163 -5.0415 3  714.8146792  595161404493811 1    493712 1      C-13-H3C(O)CH3
  211873.4716  0.0067 -5.5267 3  127.9559360  595161404221211 1    2113 8 1      C-13-H3C(O)CH3
  211873.5516  0.0141 -4.9610 3  617.3783728  5951614044537 8 2    4536 9 2      C-13-H3C(O)CH3
  211878.4156  0.0168 -5.3424 3  714.8141396  595161404493812 4    493713 4      C-13-H3C(O)CH3
  211880.7817  0.0148 -5.0414 3  714.7924792  595161404493812 1    493713 1      C-13-H3C(O)CH3
  211885.2625  0.0144 -5.8737 3  112.2306328  5951614042014 6 2    1915 5 2      C-13-H3C(O)CH3
  211888.3409  0.1015 -5.5929 3 1063.6376984  595161404614220 1    614120 1      C-13-H3C(O)CH3
  211889.3106  0.2662 -6.3025 3 1494.6255B76  595161404734727 0    734628 0      C-13-H3C(O)CH3
  211892.9954  0.0150 -5.0414 3  714.8085792  595161404493812 2    493713 2      C-13-H3C(O)CH3
  211895.2140  0.0136 -4.9609 3  617.3601728  5951614044537 9 2    453610 2      C-13-H3C(O)CH3
  211896.0041  0.0144 -5.0415 3  714.7868792  595161404493811 0    493712 0      C-13-H3C(O)CH3
  211896.0272  0.0144 -5.0415 3  714.7868792  595161404493812 0    493713 0      C-13-H3C(O)CH3
  211905.9269  0.0240 -6.4154 3  179.2069204  5951614042518 8 4    251510 4      C-13-H3C(O)CH3
  211907.5668  0.0072 -5.9955 3  112.1396328  5951614042014 7 1    201110 1      C-13-H3C(O)CH3
  211917.3949  0.0096 -6.7917 3  394.2985316  595161404391722 4    382019 4      C-13-H3C(O)CH3
  211917.5361  0.0096 -6.7917 3  394.2985316  595161404391722 3    382019 3      C-13-H3C(O)CH3
  211919.8194  0.0179 -5.2618 3  617.3946364  5951614044537 8 4    4536 9 4      C-13-H3C(O)CH3
  211924.5440  0.2267 -6.5126 3 1063.6376984  595161404614219 1    614120 1      C-13-H3C(O)CH3
  211924.6882  0.0095 -6.4912 3  394.3271632  595161404391722 1    382019 1      C-13-H3C(O)CH3
  211942.6647  0.0166 -5.2617 3  617.3764364  5951614044537 8 3    4536 9 3      C-13-H3C(O)CH3
  211943.6914  0.0838 -5.5434 3 1063.6404984  595161404614219 2    614120 2      C-13-H3C(O)CH3
  211947.9387  0.4467 -6.3092 3 1494.6428B76  595161404734727 2    734628 2      C-13-H3C(O)CH3
  211951.5870  0.0145 -4.9607 3  617.3427728  5951614044537 9 1    453610 1      C-13-H3C(O)CH3
  211961.8882  0.0198 -5.2836 3  508.6661324  5951614044036 5 4    4035 6 4      C-13-H3C(O)CH3
  211969.1384  0.0050 -6.2481 3  112.1538164  5951614042014 7 3    201110 3      C-13-H3C(O)CH3
  211973.6763  0.0097 -6.4887 3  394.3229632  595161404391722 2    382019 2      C-13-H3C(O)CH3
  211980.5736  0.0083 -6.4892 3  394.3514632  595161404391722 0    382019 0      C-13-H3C(O)CH3
  211981.6256  0.3900 -6.8013 3 1767.4755C88  595161404804833 2    804734 2      C-13-H3C(O)CH3
  211982.9222  0.1522 -5.8330 3 1233.4237A64  595161404664423 0    664324 0      C-13-H3C(O)CH3
  211990.2975  0.0146 -4.9828 3  508.7084648  5951614044036 5 2    4035 6 2      C-13-H3C(O)CH3
  211990.6165  0.0139 -4.9608 3  617.3573728  5951614044537 8 0    4536 9 0      C-13-H3C(O)CH3
  211990.6167  0.0139 -4.9608 3  617.3573728  5951614044537 9 0    453610 0      C-13-H3C(O)CH3
  211995.7048  0.0933 -5.5432 3 1063.5911984  595161404614219 0    614120 0      C-13-H3C(O)CH3
  211996.5291  0.4896 -6.8013 3 1767.4737C88  595161404804833 0    804734 0      C-13-H3C(O)CH3
  212004.0497  0.0018 -4.5046 3   56.1569124 -59516140415 8 8 4    14 7 7 4      C-13-H3C(O)CH3
  212011.7710  0.0097 -6.7913 3  394.2953316  595161404391822 4    381919 4      C-13-H3C(O)CH3
  212012.1243  0.0097 -6.7913 3  394.2954316  595161404391822 3    381919 3      C-13-H3C(O)CH3
  212015.5046  0.0095 -6.4908 3  394.3241632  595161404391822 1    381919 1      C-13-H3C(O)CH3
  212022.4641  0.2874 -6.7180 3 1063.6795492  595161404614220 3    614120 3      C-13-H3C(O)CH3
  212024.5207  0.0025 -4.5045 3   56.1563124 -59516140415 8 8 3    14 7 7 3      C-13-H3C(O)CH3
  212037.7340  0.0147 -4.9606 3  617.3736728  5951614044537 8 1    4536 9 1      C-13-H3C(O)CH3
  212049.5831  0.0105 -5.5008 3  141.4022360  5951614042217 6 0    2118 3 0      C-13-H3C(O)CH3
  212055.2764  0.3029 -5.9867 3 1233.4644A64  595161404664423 1    664324 1      C-13-H3C(O)CH3
  212063.0342  0.0068 -5.5205 3  127.9458360  595161404221211 2    2113 8 2      C-13-H3C(O)CH3
  212065.2212  0.2949 -6.3030 3 1494.6543B76  595161404734727 1    734628 1      C-13-H3C(O)CH3
  212067.3776  0.0097 -6.4882 3  394.3198632  595161404391822 2    381919 2      C-13-H3C(O)CH3
  212070.5645  0.0083 -6.4888 3  394.3484632  595161404391822 0    381919 0      C-13-H3C(O)CH3
  212072.2663  0.3509 -5.9487 3 1233.4592A64  595161404664423 2    664324 2      C-13-H3C(O)CH3
  212081.8526  0.0106 -5.5007 3  141.4022360  5951614042217 5 0    2118 4 0      C-13-H3C(O)CH3
  212084.9993  0.0928 -5.5428 3 1063.5877984  595161404614220 0    614121 0      C-13-H3C(O)CH3
  212092.9361  0.2721 -6.3801 3 1383.3908572  595161404714031 3    713932 3      C-13-H3C(O)CH3
  212093.0497  0.2711 -6.3801 3 1383.3908572  595161404714031 4    713932 4      C-13-H3C(O)CH3
  212101.8613  0.1044 -5.9065 3 1063.6795492  595161404614219 3    614120 3      C-13-H3C(O)CH3
  212112.2376  0.5566 -6.6158 3 1494.6719588  595161404734727 4    734628 4      C-13-H3C(O)CH3
  212113.7332  0.2427 -7.1020 3 1767.4743644  595161404804833 3    804734 3      C-13-H3C(O)CH3
  212115.5861  0.2418 -7.1020 3 1767.4743644  595161404804833 4    804734 4      C-13-H3C(O)CH3
  212119.5064  0.0128 -6.9218 3   76.6560264  5951614041614 3 2    1611 6 2      C-13-H3C(O)CH3
  212130.0027  0.0177 -5.2832 3  508.6910324  5951614044036 5 3    4035 6 3      C-13-H3C(O)CH3
  212130.2729  0.4484 -6.8009 3 1767.4725C88  595161404804833 1    804734 1      C-13-H3C(O)CH3
  212134.5320  0.3963 -6.6059 3 1494.6715588  595161404734727 3    734628 3      C-13-H3C(O)CH3
  212144.6224  0.6032 -6.4681 3 1233.4992532  595161404664423 4    664324 4      C-13-H3C(O)CH3
  212146.6392  0.0157 -4.9823 3  508.6961648  5951614044036 5 1    4035 6 1      C-13-H3C(O)CH3
  212147.4737  0.0021 -4.2035 3   56.1153248 -59516140415 8 8 1    14 7 7 1      C-13-H3C(O)CH3
  212148.3084  0.1024 -5.9063 3 1063.6753492  595161404614220 3    614121 3      C-13-H3C(O)CH3
  212152.4855  0.0178 -6.1090 3   34.0857 92  5951614041110 2 3    10 9 1 3      C-13-H3C(O)CH3
  212160.0485  0.0138 -4.9824 3  508.7333648  5951614044036 4 2    4035 5 2      C-13-H3C(O)CH3
  212163.7158  0.0171 -5.2832 3  508.7116324  5951614044036 4 3    4035 5 3      C-13-H3C(O)CH3
  212167.4072  0.1420 -6.1382 3 1233.5009532  595161404664423 3    664324 3      C-13-H3C(O)CH3
  212176.2309  0.0190 -7.1787 3  478.3553680  595161404422320 1    412615 1      C-13-H3C(O)CH3
  212176.4368  0.0137 -4.9825 3  508.7384648  5951614044036 5 0    4035 6 0      C-13-H3C(O)CH3
  212176.4368  0.0137 -4.9825 3  508.7384648  5951614044036 4 0    4035 5 0      C-13-H3C(O)CH3
  212176.7585  0.2173 -6.0788 3 1383.3782B44  595161404714031 1    713932 1      C-13-H3C(O)CH3
  212178.2384  0.0036 -4.7232 3  351.6668308 -595161404381325 3    381226 3      C-13-H3C(O)CH3
  212178.2384  0.0036 -4.7232 3  351.6668308 -595161404381425 3    381326 3      C-13-H3C(O)CH3
  212178.2384  0.0037 -4.7232 3  351.6668308 -595161404381425 4    381326 4      C-13-H3C(O)CH3
  212178.2384  0.0037 -4.7232 3  351.6668308 -595161404381325 4    381226 4      C-13-H3C(O)CH3
  212183.5637  0.0189 -7.1774 3  478.3509680  595161404422320 2    412615 2      C-13-H3C(O)CH3
  212185.8580  0.0066 -5.9818 3  112.1363328  5951614042014 7 2    201110 2      C-13-H3C(O)CH3
  212189.3403  0.2656 -6.5116 3 1063.6276984  595161404614220 1    614121 1      C-13-H3C(O)CH3
  212192.4581  0.0093 -5.4994 3  141.4121360  5951614042217 5 2    2118 3 2      C-13-H3C(O)CH3
  212193.9958  0.0024 -4.2038 3   56.1118248 -59516140415 8 8 2    14 7 7 2      C-13-H3C(O)CH3
  212201.2706  0.0036 -4.4220 3  351.6923616 -595161404381425 2    381326 2      C-13-H3C(O)CH3
  212201.2706  0.0036 -4.4220 3  351.6923616 -595161404381325 2    381226 2      C-13-H3C(O)CH3
  212201.6338  0.0135 -5.0090 3  781.5572872  595161404542727 0    542628 0      C-13-H3C(O)CH3
  212207.0992  0.0135 -5.0090 3  781.5572872  595161404542827 0    542728 0      C-13-H3C(O)CH3
  212207.2247  0.0036 -4.4221 3  351.6937616 -595161404381425 1    381326 1      C-13-H3C(O)CH3
  212207.2247  0.0036 -4.4221 3  351.6937616 -595161404381325 1    381226 1      C-13-H3C(O)CH3
  212208.9324  0.0031 -4.2895 3   34.0117 92 -5951614041110 2 4    10 9 2 4      C-13-H3C(O)CH3
  212214.8353  0.0196 -5.0089 3  781.5559872  595161404542727 2    542628 2      C-13-H3C(O)CH3
  212216.2271  0.0054 -5.5173 3  127.9349360  595161404221211 0    2113 8 0      C-13-H3C(O)CH3
  212216.8533  0.0146 -5.0089 3  781.5562872  595161404542727 1    542628 1      C-13-H3C(O)CH3
  212220.7536  0.0195 -5.0088 3  781.5560872  595161404542827 2    542728 2      C-13-H3C(O)CH3
  212222.7809  0.0147 -5.0088 3  781.5562872  595161404542827 1    542728 1      C-13-H3C(O)CH3
  212224.4378  0.1580 -6.3580 3 1233.4644A64  595161404664422 1    664324 1      C-13-H3C(O)CH3
  212225.5434  0.0933 -5.5919 3 1063.6276984  595161404614219 1    614121 1      C-13-H3C(O)CH3
  212227.7056  0.3175 -6.7171 3 1063.6753492  595161404614219 3    614121 3      C-13-H3C(O)CH3
  212230.0599  0.0203 -5.3097 3  781.5549436  595161404542727 3    542628 3      C-13-H3C(O)CH3
  212230.1272  0.0031 -4.4220 3  351.7192616 -595161404381425 0    381326 0      C-13-H3C(O)CH3
  212230.1272  0.0031 -4.4220 3  351.7192616 -595161404381325 0    381226 0      C-13-H3C(O)CH3
  212230.1504  0.0205 -5.3097 3  781.5549436  595161404542727 4    542628 4      C-13-H3C(O)CH3
  212235.8920  0.1441 -6.4628 3 1233.4592A64  595161404664422 2    664324 2      C-13-H3C(O)CH3
  212236.4791  0.0202 -5.3097 3  781.5549436  595161404542827 3    542728 3      C-13-H3C(O)CH3
  212236.5468  0.0203 -5.3097 3  781.5549436  595161404542827 4    542728 4      C-13-H3C(O)CH3
  212252.5097  0.2834 -6.0785 3 1383.3833B44  595161404714031 2    713932 2      C-13-H3C(O)CH3
  212273.8989  0.0958 -5.5424 3 1063.6279984  595161404614220 2    614121 2      C-13-H3C(O)CH3
  212316.8821  0.0177 -7.1751 3  478.3718680  595161404422320 0    412615 0      C-13-H3C(O)CH3
  212326.5869  0.0020 -4.2038 3   56.0707248 -59516140415 8 8 0    14 7 7 0      C-13-H3C(O)CH3
  212326.5908  0.0148 -5.9633 3  112.2183328  5951614042014 6 1    1915 5 1      C-13-H3C(O)CH3
  212333.0898  0.0165 -5.2828 3  508.7363324  5951614044036 4 4    4035 5 4      C-13-H3C(O)CH3
  212335.3442  0.2217 -6.0782 3 1383.3708B44  595161404714031 0    713932 0      C-13-H3C(O)CH3
  212335.4589  0.0028 -4.2954 3   34.0857 92  5951614041110 1 3    10 9 1 3      C-13-H3C(O)CH3
  212341.8622  0.0029 -4.2953 3   34.0794 92 -5951614041110 2 3    10 9 2 3      C-13-H3C(O)CH3
  212350.3222  0.0138 -4.9819 3  508.7415648  5951614044036 4 1    4035 5 1      C-13-H3C(O)CH3
  212400.0298  0.0101 -5.4986 3  141.4006360  5951614042217 5 1    2118 3 1      C-13-H3C(O)CH3
  212412.4662  0.1641 -6.4032 3 1233.4992532  595161404664422 4    664324 4      C-13-H3C(O)CH3
  212443.2185  0.1505 -5.9115 3 1063.6666492  595161404614220 4    614121 4      C-13-H3C(O)CH3
  212457.6208  0.3540 -6.6788 3 1063.6666492  595161404614219 4    614121 4      C-13-H3C(O)CH3
  212469.2805  0.0022 -4.2880 3   34.1535 92 -5951614041110 1 4    10 9 1 4      C-13-H3C(O)CH3
  212481.1806  0.0100 -5.4991 3  141.3372360  5951614042217 6 1    2118 4 1      C-13-H3C(O)CH3
  212481.5445  0.0100 -5.4984 3  141.3510360  5951614042217 6 2    2118 4 2      C-13-H3C(O)CH3
  212484.8256  0.0030 -3.9870 3   34.0046184 -5951614041110 2 1    10 9 2 1      C-13-H3C(O)CH3
  212518.9377  0.0029 -3.9868 3   34.0123184 -5951614041110 2 2    10 9 2 2      C-13-H3C(O)CH3
  212524.8418  0.0177 -6.1079 3   34.0794 92  5951614041110 1 3    10 9 2 3      C-13-H3C(O)CH3
  212528.1392  0.0133 -5.7982 3  141.4105180  5951614042217 5 4    2118 3 4      C-13-H3C(O)CH3
  212560.3305  0.7102 -6.8336 3 1781.4493C88  595161404805031 2    804932 2      C-13-H3C(O)CH3
  212583.8424  0.5306 -6.8332 3 1781.4486C88  595161404805031 0    804932 0      C-13-H3C(O)CH3
  212606.6957  0.0108 -5.8004 3  141.3471180  5951614042217 6 3    2118 4 3      C-13-H3C(O)CH3
  212608.5958  0.0076 -5.5973 3  187.1348424  595161404261610 0    261313 0      C-13-H3C(O)CH3
  212613.2035  0.0026 -3.9862 3   34.0785184 -5951614041110 1 1    10 9 1 1      C-13-H3C(O)CH3
  212618.9110  0.0089 -5.5988 3  187.1258424  595161404261610 2    261313 2      C-13-H3C(O)CH3
  212650.9023  0.0029 -3.9860 3   34.0801184 -5951614041110 1 2    10 9 1 2      C-13-H3C(O)CH3
  212677.5138  0.0048 -5.9402 3  112.1221328  5951614042014 7 0    201110 0      C-13-H3C(O)CH3
  212680.2827  0.0427 -5.5818 3  943.1216476  595161404593128 3    593029 3      C-13-H3C(O)CH3
  212680.3618  0.0429 -5.5818 3  943.1216476  595161404593128 4    593029 4      C-13-H3C(O)CH3
  212684.8862  0.0019 -4.1189 3   71.5413156 -59516140419 316 3    18 415 3      C-13-H3C(O)CH3
  212684.8862  0.0018 -4.1189 3   71.5413156 -59516140419 416 4    18 315 4      C-13-H3C(O)CH3
  212684.8862  0.0019 -4.1189 3   71.5413156 -59516140419 416 3    18 315 3      C-13-H3C(O)CH3
  212684.8862  0.0018 -4.1189 3   71.5413156 -59516140419 316 4    18 415 4      C-13-H3C(O)CH3
  212699.9076  0.0334 -5.2808 3  943.1123952  595161404593128 1    593029 1      C-13-H3C(O)CH3
  212701.0421  0.0160 -6.1622 3  179.2117408  5951614042518 8 1    251510 1      C-13-H3C(O)CH3
  212702.6520  0.0420 -5.2808 3  943.1132952  595161404593128 2    593029 2      C-13-H3C(O)CH3
  212722.0791  0.0324 -5.2808 3  943.1039952  595161404593128 0    593029 0      C-13-H3C(O)CH3
  212731.1585  0.0019 -3.8177 3   71.4942312 -59516140419 316 1    18 415 1      C-13-H3C(O)CH3
  212731.1585  0.0019 -3.8177 3   71.4942312 -59516140419 416 1    18 315 1      C-13-H3C(O)CH3
  212731.5322  0.0019 -3.8177 3   71.4936312 -59516140419 316 2    18 415 2      C-13-H3C(O)CH3
  212731.5322  0.0019 -3.8177 3   71.4936312 -59516140419 416 2    18 315 2      C-13-H3C(O)CH3
  212752.0783  0.0414 -5.5815 3  943.1220476  595161404593228 4    593129 4      C-13-H3C(O)CH3
  212752.1365  0.0412 -5.5815 3  943.1219476  595161404593228 3    593129 3      C-13-H3C(O)CH3
  212767.7054  0.0334 -5.2805 3  943.1126952  595161404593228 1    593129 1      C-13-H3C(O)CH3
  212769.5829  0.0403 -5.2805 3  943.1135952  595161404593228 2    593129 2      C-13-H3C(O)CH3
  212772.3427  0.0027 -3.9853 3   34.0059184 -5951614041110 2 0    10 9 1 0      C-13-H3C(O)CH3
  212777.7639  0.0018 -3.8175 3   71.4465312 -59516140419 416 0    18 315 0      C-13-H3C(O)CH3
  212777.7639  0.0018 -3.8175 3   71.4465312 -59516140419 316 0    18 415 0      C-13-H3C(O)CH3
  212785.2220  0.0322 -5.2805 3  943.1042952  595161404593228 0    593129 0      C-13-H3C(O)CH3
  212788.1962  0.6344 -7.1341 3 1781.4600644  595161404805031 3    804932 3      C-13-H3C(O)CH3
  212797.6913  0.6432 -7.1338 3 1781.4603644  595161404805031 4    804932 4      C-13-H3C(O)CH3
  212816.4507  0.0027 -3.9851 3   34.0048184 -5951614041110 1 0    10 9 2 0      C-13-H3C(O)CH3
  212816.5240  0.5107 -6.8326 3 1781.4594C88  595161404805031 1    804932 1      C-13-H3C(O)CH3
  212816.7680  0.0104 -5.7990 3  141.3493180  5951614042217 5 3    2118 3 3      C-13-H3C(O)CH3
  212850.4793  0.0148 -6.9967 3  611.9855792  595161404492029 1    482326 1      C-13-H3C(O)CH3
  212850.6192  0.0148 -6.9967 3  611.9855792  595161404492129 1    482226 1      C-13-H3C(O)CH3
  212862.1712  0.0090 -5.6018 3  187.1308424  595161404261610 1    261313 1      C-13-H3C(O)CH3
  212864.2254  0.0167 -6.9951 3  611.9841792  595161404492029 2    482326 2      C-13-H3C(O)CH3
  212864.3678  0.0167 -6.9951 3  611.9840792  595161404492129 2    482226 2      C-13-H3C(O)CH3
  212867.0791  0.0034 -4.7054 3  328.8180300 -595161404371225 3    371126 3      C-13-H3C(O)CH3
  212867.0791  0.0034 -4.7054 3  328.8180300 -595161404371325 3    371226 3      C-13-H3C(O)CH3
  212867.0791  0.0036 -4.7053 3  328.8180300 -595161404371325 4    371226 4      C-13-H3C(O)CH3
  212867.0791  0.0036 -4.7054 3  328.8180300 -595161404371225 4    371126 4      C-13-H3C(O)CH3
  212872.1596  0.0118 -5.9043 3  187.1219212  595161404261610 4    261313 4      C-13-H3C(O)CH3
  212878.9484  0.0117 -5.9044 3  187.1218212  595161404261610 3    261313 3      C-13-H3C(O)CH3
  212885.2734  0.0051 -4.6882 3  576.3011760  595161404472126 0    472027 0      C-13-H3C(O)CH3
  212885.3115  0.0051 -4.6882 3  576.3011760  595161404472226 0    472127 0      C-13-H3C(O)CH3
  212888.7665  0.0185 -6.8057 3  179.2067204  5951614042518 8 3    251510 3      C-13-H3C(O)CH3
  212892.2217  0.0114 -5.7978 3  141.2860180  5951614042217 6 4    2118 4 4      C-13-H3C(O)CH3
  212895.7179  0.0256 -5.4387 3  795.0650420  595161404523913 4    523814 4      C-13-H3C(O)CH3
  212899.1793  0.0119 -6.9963 3  612.0004792  595161404492029 0    482326 0      C-13-H3C(O)CH3
  212899.3070  0.0119 -6.9963 3  612.0004792  595161404492129 0    482226 0      C-13-H3C(O)CH3
  212908.2187  0.0035 -4.4040 3  328.8412600 -595161404371325 2    371226 2      C-13-H3C(O)CH3
  212908.2187  0.0035 -4.4042 3  328.8412600 -595161404371225 2    371126 2      C-13-H3C(O)CH3
  212914.0297  0.0035 -4.4041 3  328.8425600 -595161404371225 1    371126 1      C-13-H3C(O)CH3
  212914.0297  0.0035 -4.4041 3  328.8425600 -595161404371325 1    371226 1      C-13-H3C(O)CH3
  212922.3507  0.0070 -4.6879 3  576.2807760  595161404472126 2    472027 2      C-13-H3C(O)CH3
  212922.3935  0.0070 -4.6879 3  576.2807760  595161404472226 2    472127 2      C-13-H3C(O)CH3
  212927.2726  0.0056 -4.6879 3  576.2821760  595161404472126 1    472027 1      C-13-H3C(O)CH3
  212927.3144  0.0056 -4.6879 3  576.2821760  595161404472226 1    472127 1      C-13-H3C(O)CH3
  212954.9546  0.0030 -4.4039 3  328.8656600 -595161404371325 0    371226 0      C-13-H3C(O)CH3
  212954.9546  0.0030 -4.4039 3  328.8656600 -595161404371225 0    371126 0      C-13-H3C(O)CH3
  212964.4266  0.0072 -4.9886 3  576.2617380  595161404472126 3    472027 3      C-13-H3C(O)CH3
  212964.4735  0.0072 -4.9886 3  576.2617380  595161404472226 3    472127 3      C-13-H3C(O)CH3
  212964.4979  0.0073 -4.9886 3  576.2617380  595161404472126 4    472027 4      C-13-H3C(O)CH3
  212964.5445  0.0073 -4.9886 3  576.2617380  595161404472226 4    472127 4      C-13-H3C(O)CH3
  212981.6794  0.0205 -5.1374 3  795.0297840  595161404523913 2    523814 2      C-13-H3C(O)CH3
  212995.6273  0.0215 -5.4384 3  795.0482420  595161404523914 3    523815 3      C-13-H3C(O)CH3
  213028.1356  0.2721 -6.5952 3 1306.4888A96  595161404684524 1    684424 1      C-13-H3C(O)CH3
  213029.2518  0.3944 -6.6447 3 1306.4805A96  595161404684524 2    684424 2      C-13-H3C(O)CH3
  213034.0698  0.4421 -6.6493 3 1306.5202548  595161404684524 4    684424 4      C-13-H3C(O)CH3
  213057.5535  0.0205 -5.1372 3  795.0179840  595161404523913 1    523814 1      C-13-H3C(O)CH3
  213092.0391  0.0506 -5.6909 3  969.4574468  595161404584117 4    584018 4      C-13-H3C(O)CH3
  213116.5706  0.0211 -5.4381 3  795.0496420  595161404523913 3    523814 3      C-13-H3C(O)CH3
  213143.0023  0.0197 -5.1369 3  794.9825840  595161404523913 0    523814 0      C-13-H3C(O)CH3
  213143.2433  0.0196 -5.1369 3  794.9825840  595161404523914 0    523815 0      C-13-H3C(O)CH3
  213156.7348  0.0213 -5.1368 3  795.0011840  595161404523914 1    523815 1      C-13-H3C(O)CH3
  213156.8522  0.1936 -5.9609 3 1306.4493A96  595161404684523 0    684424 0      C-13-H3C(O)CH3
  213201.6443  0.0199 -5.1368 3  795.0142840  595161404523914 2    523815 2      C-13-H3C(O)CH3
  213215.4195  0.0218 -5.4377 3  795.0327420  595161404523914 4    523815 4      C-13-H3C(O)CH3
  213221.6513  0.0621 -5.3894 3  969.4039936  595161404584117 1    584018 1      C-13-H3C(O)CH3
  213221.8905  0.0221 -5.3337 3  489.8320316  5951614043936 4 4    3935 5 4      C-13-H3C(O)CH3
  213235.9070  0.0526 -5.3894 3  969.4116936  595161404584117 2    584018 2      C-13-H3C(O)CH3
  213236.6518  0.0164 -5.0330 3  489.8800632  5951614043936 4 2    3935 5 2      C-13-H3C(O)CH3
  213238.0997  0.0269 -7.2384 3  124.8225172  5951614042115 7 4    2016 4 4      C-13-H3C(O)CH3
  213255.9333  0.0074 -5.3920 3  251.3187488  595161404301911 0    301614 0      C-13-H3C(O)CH3
  213256.5024  0.0227 -7.1231 3  466.7703664  595161404412517 0    402812 0      C-13-H3C(O)CH3
  213290.4990  0.2831 -6.0754 3 1306.4888A96  595161404684523 1    684424 1      C-13-H3C(O)CH3
  213295.0346  0.0087 -5.3924 3  251.2974488  595161404301911 2    301614 2      C-13-H3C(O)CH3
  213310.5758  0.0220 -7.2368 3  414.8846316  595161404392218 4    382513 4      C-13-H3C(O)CH3
  213321.6421  0.2463 -6.0614 3 1306.4805A96  595161404684523 2    684424 2      C-13-H3C(O)CH3
  213342.4843  0.0445 -5.6917 3  969.4474468  595161404584117 3    584018 3      C-13-H3C(O)CH3
  213358.3007  0.0608 -5.3889 3  969.3584936  595161404584117 0    584018 0      C-13-H3C(O)CH3
  213360.2934  0.0091 -5.3945 3  251.3051488  595161404301911 1    301614 1      C-13-H3C(O)CH3
  213361.3249  0.2117 -6.2618 3 1306.5199548  595161404684523 3    684424 3      C-13-H3C(O)CH3
  213373.0098  0.0608 -5.3888 3  969.3579936  595161404584118 0    584019 0      C-13-H3C(O)CH3
  213387.6012  0.0080 -5.6959 3  251.2839244  595161404301911 4    301614 4      C-13-H3C(O)CH3
  213397.5572  0.0330 -5.5552 3  879.9254444  595161404554015 4    553916 4      C-13-H3C(O)CH3
  213399.9426  0.0531 -5.6915 3  969.4441468  595161404584118 3    584019 3      C-13-H3C(O)CH3
  213405.5370  0.0180 -7.2243 3  414.8815316  595161404392218 3    382513 3      C-13-H3C(O)CH3
  213409.0387  0.0129 -5.6960 3  251.2837244  595161404301911 3    301614 3      C-13-H3C(O)CH3
  213413.6868  0.0178 -6.1234 3  179.2067204  5951614042518 7 3    251510 3      C-13-H3C(O)CH3
  213419.4844  0.0176 -5.0325 3  489.8707632  5951614043936 4 1    3935 5 1      C-13-H3C(O)CH3
  213435.5169  0.0153 -5.0327 3  489.9187632  5951614043936 4 0    3935 5 0      C-13-H3C(O)CH3
  213435.5169  0.0153 -5.0327 3  489.9187632  5951614043936 3 0    3935 4 0      C-13-H3C(O)CH3
  213439.5606  0.0194 -5.3332 3  489.8603316  5951614043936 4 3    3935 5 3      C-13-H3C(O)CH3
  213444.2233  0.0191 -5.3333 3  489.8821316  5951614043936 3 3    3935 4 3      C-13-H3C(O)CH3
  213456.0120  0.0156 -5.0324 3  489.9082632  5951614043936 3 2    3935 4 2      C-13-H3C(O)CH3
  213461.8597  0.0196 -6.9250 3  414.9022632  595161404392218 2    382513 2      C-13-H3C(O)CH3
  213472.9831  0.0614 -5.3886 3  969.3939936  595161404584118 1    584019 1      C-13-H3C(O)CH3
  213494.0493  0.4313 -6.4905 3 1306.5202548  595161404684523 4    684424 4      C-13-H3C(O)CH3
  213497.0230  0.0036 -6.2454 3  306.5545292  595161404361225 4    361026 4      C-13-H3C(O)CH3
  213497.0230  0.0036 -6.2451 3  306.5545292  595161404361125 4    361126 4      C-13-H3C(O)CH3
  213497.1141  0.0034 -4.6933 3  306.5545292 -595161404361225 3    361126 3      C-13-H3C(O)CH3
  213497.1141  0.0034 -4.7000 3  306.5545292 -595161404361125 3    361026 3      C-13-H3C(O)CH3
  213497.1141  0.0036 -4.7040 3  306.5545292 -595161404361125 4    361026 4      C-13-H3C(O)CH3
  213497.1141  0.0036 -4.7040 3  306.5545292 -595161404361225 4    361126 4      C-13-H3C(O)CH3
  213497.2257  0.0034 -7.1176 3  306.5545292  595161404361125 3    361126 3      C-13-H3C(O)CH3
  213497.2257  0.0034 -6.4213 3  306.5545292  595161404361225 3    361026 3      C-13-H3C(O)CH3
  213505.2204  0.0155 -6.2087 3  179.1979408  5951614042518 8 2    251510 2      C-13-H3C(O)CH3
  213520.6522  0.0314 -5.2538 3  879.8839888  595161404554015 2    553916 2      C-13-H3C(O)CH3
  213526.7294  0.0323 -7.0764 3  419.0635632  595161404392317 2    382612 2      C-13-H3C(O)CH3
  213543.2134  0.0560 -5.3884 3  969.3984936  595161404584118 2    584019 2      C-13-H3C(O)CH3
  213551.4050  0.0347 -5.2537 3  879.8731888  595161404554015 1    553916 1      C-13-H3C(O)CH3
  213558.7674  0.0034 -4.4015 3  306.5745584 -595161404361225 2    361126 2      C-13-H3C(O)CH3
  213558.7674  0.0034 -4.4016 3  306.5745584 -595161404361125 2    361026 2      C-13-H3C(O)CH3
  213558.7740  0.0034 -5.9832 3  306.5745584  595161404361225 2    361026 2      C-13-H3C(O)CH3
  213558.7740  0.0034 -5.9804 3  306.5745584  595161404361125 2    361126 2      C-13-H3C(O)CH3
  213564.3443  0.0035 -4.5239 3  306.5757584  595161404361125 1    361126 1      C-13-H3C(O)CH3
  213564.3443  0.0035 -4.5240 3  306.5757584  595161404361225 1    361026 1      C-13-H3C(O)CH3
  213564.3449  0.0035 -4.9675 3  306.5757584 -595161404361125 1    361026 1      C-13-H3C(O)CH3
  213564.3449  0.0035 -4.9674 3  306.5757584 -595161404361225 1    361126 1      C-13-H3C(O)CH3
  213574.4705  0.0287 -5.5549 3  879.9128444  595161404554016 3    553916 3      C-13-H3C(O)CH3
  213621.0278  0.0169 -5.2600 3  595.9921356  5951614044437 8 4    4436 9 4      C-13-H3C(O)CH3
  213625.7441  0.0031 -4.4807 3  306.5956584 -595161404361125 0    361026 0      C-13-H3C(O)CH3
  213625.7441  0.0031 -4.3919 3  306.5956584 -595161404361225 0    361126 0      C-13-H3C(O)CH3
  213625.7925  0.0031 -5.1143 3  306.5956584  595161404361225 0    361026 0      C-13-H3C(O)CH3
  213625.7925  0.0031 -6.7627 3  306.5956584  595161404361125 0    361126 0      C-13-H3C(O)CH3
  213643.8428  0.0157 -5.0320 3  489.9207632  5951614043936 3 1    3935 4 1      C-13-H3C(O)CH3
  213647.6103  0.0170 -5.2600 3  596.0112356  5951614044437 8 3    4436 9 3      C-13-H3C(O)CH3
  213649.4527  0.0580 -5.6892 3  969.4342468  595161404584118 4    584019 4      C-13-H3C(O)CH3
  213657.4449  0.0136 -4.9591 3  596.0126712  5951614044437 8 2    4436 9 2      C-13-H3C(O)CH3
  213663.6428  0.0187 -5.3328 3  489.9101316  5951614043936 3 4    3935 4 4      C-13-H3C(O)CH3
  213671.4673  0.0294 -5.5546 3  879.9111444  595161404554015 3    553917 3      C-13-H3C(O)CH3
  213673.2282  0.0353 -5.2533 3  879.8318888  595161404554015 0    553916 0      C-13-H3C(O)CH3
  213675.2864  0.0353 -5.2532 3  879.8317888  595161404554016 0    553917 0      C-13-H3C(O)CH3
  213685.2113  0.0136 -4.9591 3  596.0316712  5951614044437 7 2    4436 8 2      C-13-H3C(O)CH3
  213727.9404  0.0371 -5.2531 3  879.8606888  595161404554016 1    553917 1      C-13-H3C(O)CH3
  213729.5672  0.0052 -4.9298 3   29.6280 92  59516140411 7 4 3    10 6 5 3      C-13-H3C(O)CH3
  213735.0224  0.0114 -6.7318 3   76.6350264  5951614041614 3 0    1611 6 0      C-13-H3C(O)CH3
  213736.6884  0.0164 -5.2598 3  596.0265356  5951614044437 7 3    4436 8 3      C-13-H3C(O)CH3
  213737.5143  0.7862 -7.0717 3 1910.0849D36  595161404835133 2    835034 2      C-13-H3C(O)CH3
  213743.3592  0.0147 -4.9588 3  595.9960712  5951614044437 8 1    4436 9 1      C-13-H3C(O)CH3
  213747.7760  0.3165 -6.4456 3 1574.9536C08  595161404754828 0    754729 0      C-13-H3C(O)CH3
  213748.1504  0.0155 -6.9166 3  414.8979632  595161404392218 1    382513 1      C-13-H3C(O)CH3
  213756.9865  0.0021 -7.1707 3   73.9634164  59516140420 218 3    19 217 3      C-13-H3C(O)CH3
  213756.9865  0.0021 -6.9221 3   73.9634164  59516140420 318 3    19 317 3      C-13-H3C(O)CH3
  213757.0029  0.0021 -4.0600 3   73.9634164 -59516140420 318 3    19 217 3      C-13-H3C(O)CH3
  213757.0029  0.0021 -4.7626 3   73.9634164 -59516140420 318 4    19 317 4      C-13-H3C(O)CH3
  213757.0029  0.0021 -4.0602 3   73.9634164 -59516140420 218 3    19 317 3      C-13-H3C(O)CH3
  213757.0029  0.0021 -4.1556 3   73.9634164 -59516140420 218 4    19 317 4      C-13-H3C(O)CH3
  213757.0304  0.0021 -4.1560 3   73.9634164  59516140420 318 4    19 217 4      C-13-H3C(O)CH3
  213757.0304  0.0021 -4.7610 3   73.9634164  59516140420 218 4    19 217 4      C-13-H3C(O)CH3
  213760.6394  0.0049 -4.6260 3   29.5718184  59516140411 7 4 2    10 6 5 2      C-13-H3C(O)CH3
  213763.4151  0.0168 -5.2598 3  596.0453356  5951614044437 7 4    4436 8 4      C-13-H3C(O)CH3
  213779.9641  0.5182 -6.4501 3 1574.9659C08  595161404754828 2    754729 2      C-13-H3C(O)CH3
  213781.0293  0.0136 -4.9589 3  596.0164712  5951614044437 7 0    4436 8 0      C-13-H3C(O)CH3
  213781.0294  0.0136 -4.9589 3  596.0164712  5951614044437 8 0    4436 9 0      C-13-H3C(O)CH3
  213791.4289  0.0022 -6.9970 3   73.9104328  59516140420 218 1    19 217 1      C-13-H3C(O)CH3
  213791.5575  0.0021 -5.1985 3   73.9099328 -59516140420 218 2    19 217 2      C-13-H3C(O)CH3
  213791.5575  0.0022 -3.7585 3   73.9104328 -59516140420 318 1    19 217 1      C-13-H3C(O)CH3
  213791.5575  0.0022 -3.7588 3   73.9104328 -59516140420 218 1    19 317 1      C-13-H3C(O)CH3
  213791.5575  0.0021 -3.7745 3   73.9099328 -59516140420 318 2    19 217 2      C-13-H3C(O)CH3
  213791.6298  0.0021 -3.7750 3   73.9099328  59516140420 218 2    19 317 2      C-13-H3C(O)CH3
  213791.6298  0.0021 -5.1861 3   73.9099328  59516140420 318 2    19 317 2      C-13-H3C(O)CH3
  213793.9793  0.0324 -5.2530 3  879.8697888  595161404554016 2    553917 2      C-13-H3C(O)CH3
  213796.6253  0.7076 -7.0715 3 1910.0884D36  595161404835133 0    835034 0      C-13-H3C(O)CH3
  213818.5309  0.0044 -4.6225 3   29.5172184  59516140411 7 4 0    10 6 5 0      C-13-H3C(O)CH3
  213825.9729  0.0020 -3.7880 3   73.8570328 -59516140420 218 0    19 317 0      C-13-H3C(O)CH3
  213825.9729  0.0020 -3.7880 3   73.8570328 -59516140420 318 0    19 217 0      C-13-H3C(O)CH3
  213825.9773  0.0020 -4.9373 3   73.8570328  59516140420 218 0    19 217 0      C-13-H3C(O)CH3
  213825.9773  0.0020 -4.9371 3   73.8570328  59516140420 318 0    19 317 0      C-13-H3C(O)CH3
  213842.0301  0.0058 -4.9349 3   29.6269 92  59516140411 7 4 4    10 6 5 4      C-13-H3C(O)CH3
  213842.6268  0.0048 -4.6278 3   29.5726184  59516140411 7 4 1    10 6 5 1      C-13-H3C(O)CH3
  213847.3181  0.0339 -5.5538 3  879.8985444  595161404554016 4    553917 4      C-13-H3C(O)CH3
  213858.2436  0.0145 -6.9116 3  414.9168632  595161404392218 0    382513 0      C-13-H3C(O)CH3
  213860.1844  0.0140 -4.9586 3  596.0302712  5951614044437 7 1    4436 8 1      C-13-H3C(O)CH3
  213930.2883  0.3431 -6.4455 3 1574.9786C08  595161404754828 1    754729 1      C-13-H3C(O)CH3
  213952.5051  0.6070 -6.7538 3 1574.9912604  595161404754828 4    754729 4      C-13-H3C(O)CH3
  213971.8852  0.4723 -6.7485 3 1574.9907604  595161404754828 3    754729 3      C-13-H3C(O)CH3
  213980.3061  0.0214 -7.2539 3   95.9902148  5951614041815 4 4    1812 6 4      C-13-H3C(O)CH3
  214009.6308  0.4044 -6.6002 3 1503.9978596  595161404744232 3    744133 3      C-13-H3C(O)CH3
  214009.6793  0.4030 -6.6002 3 1503.9978596  595161404744232 4    744133 4      C-13-H3C(O)CH3
  214023.9114  0.6426 -7.0708 3 1910.0901D36  595161404835133 1    835034 1      C-13-H3C(O)CH3
  214024.3223  0.0181 -5.3220 3  691.4370388  595161404483811 3    483712 3      C-13-H3C(O)CH3
  214028.2005  0.0229 -6.5919 3  112.1862164  5951614042014 6 4    1915 5 4      C-13-H3C(O)CH3
  214037.8688  0.0211 -5.3220 3  691.4610388  595161404483810 4    483711 4      C-13-H3C(O)CH3
  214050.6075  0.0160 -5.0210 3  691.4362776  595161404483810 2    483711 2      C-13-H3C(O)CH3
  214072.2846  0.0038 -4.6829 3  284.8778284 -595161404351025 4    35 926 4      C-13-H3C(O)CH3
  214072.2846  0.0034 -4.6856 3  284.8778284 -595161404351025 3    35 926 3      C-13-H3C(O)CH3
  214072.2846  0.0038 -4.6832 3  284.8778284 -595161404351125 4    351026 4      C-13-H3C(O)CH3
  214072.2846  0.0034 -4.6836 3  284.8778284 -595161404351125 3    351026 3      C-13-H3C(O)CH3
  214072.4202  0.0034 -6.8610 3  284.8778284  595161404351125 3    35 926 3      C-13-H3C(O)CH3
  214078.6866  0.3261 -6.2989 3 1503.9880B92  595161404744232 1    744133 1      C-13-H3C(O)CH3
  214131.8983  0.0165 -5.3216 3  691.4211388  595161404483811 4    483712 4      C-13-H3C(O)CH3
  214146.1110  0.0183 -5.3217 3  691.4453388  595161404483810 3    483711 3      C-13-H3C(O)CH3
  214150.0918  0.0212 -6.9881 3  419.0482632  595161404392317 1    382612 1      C-13-H3C(O)CH3
  214156.9913  0.0033 -4.3866 3  284.8936568 -595161404351125 2    351026 2      C-13-H3C(O)CH3
  214156.9913  0.0033 -4.3869 3  284.8936568 -595161404351025 2    35 926 2      C-13-H3C(O)CH3
  214157.0033  0.0033 -6.2985 3  284.8936568  595161404351125 2    35 926 2      C-13-H3C(O)CH3
  214157.0033  0.0033 -6.2741 3  284.8936568  595161404351025 2    351026 2      C-13-H3C(O)CH3
  214157.6662  0.0146 -5.0207 3  691.4205776  595161404483811 2    483712 2      C-13-H3C(O)CH3
  214158.8456  0.0161 -5.9457 3  179.2117408  5951614042518 7 1    251510 1      C-13-H3C(O)CH3
  214159.9813  0.0110 -4.9512 3  749.4831856  595161404532627 0    532528 0      C-13-H3C(O)CH3
  214162.0119  0.0110 -4.9511 3  749.4831856  595161404532727 0    532628 0      C-13-H3C(O)CH3
  214162.2736  0.0034 -5.8825 3  284.8946568  595161404351025 1    35 926 1      C-13-H3C(O)CH3
  214162.2736  0.0034 -4.3953 3  284.8946568  595161404351025 1    351026 1      C-13-H3C(O)CH3
  214162.2736  0.0034 -5.8878 3  284.8946568  595161404351125 1    351026 1      C-13-H3C(O)CH3
  214162.2736  0.0034 -4.3951 3  284.8946568  595161404351125 1    35 926 1      C-13-H3C(O)CH3
  214170.7197  0.0048 -4.6451 3  548.2255744  595161404462026 0    461927 0      C-13-H3C(O)CH3
  214170.7315  0.0048 -4.6451 3  548.2255744  595161404462126 0    462027 0      C-13-H3C(O)CH3
  214171.9716  0.0146 -5.0206 3  691.4036776  595161404483811 1    483712 1      C-13-H3C(O)CH3
  214180.8510  0.0165 -4.9510 3  749.4790856  595161404532627 2    532528 2      C-13-H3C(O)CH3
  214183.0667  0.0164 -4.9510 3  749.4790856  595161404532727 2    532628 2      C-13-H3C(O)CH3
  214183.1933  0.0121 -4.9509 3  749.4795856  595161404532627 1    532528 1      C-13-H3C(O)CH3
  214185.4078  0.0121 -4.9509 3  749.4795856  595161404532727 1    532628 1      C-13-H3C(O)CH3
  214186.5702  0.0162 -5.0206 3  691.4277776  595161404483810 1    483711 1      C-13-H3C(O)CH3
  214189.9719  0.1814 -5.9568 3 1306.4089A96  595161404684524 0    684425 0      C-13-H3C(O)CH3
  214193.4861  0.4263 -6.2985 3 1503.9942B92  595161404744232 2    744133 2      C-13-H3C(O)CH3
  214198.5730  0.0144 -5.0206 3  691.4029776  595161404483810 0    483711 0      C-13-H3C(O)CH3
  214198.5770  0.0144 -5.0206 3  691.4029776  595161404483811 0    483712 0      C-13-H3C(O)CH3
  214204.0959  0.0171 -5.2518 3  749.4754428  595161404532627 3    532528 3      C-13-H3C(O)CH3
  214204.1909  0.0172 -5.2518 3  749.4754428  595161404532627 4    532528 4      C-13-H3C(O)CH3
  214206.5125  0.0170 -5.2518 3  749.4754428  595161404532727 3    532628 3      C-13-H3C(O)CH3
  214206.5974  0.0172 -5.2518 3  749.4754428  595161404532727 4    532628 4      C-13-H3C(O)CH3
  214207.3062  0.0062 -4.6448 3  548.2027744  595161404462026 2    461927 2      C-13-H3C(O)CH3
  214207.3195  0.0062 -4.6448 3  548.2027744  595161404462126 2    462027 2      C-13-H3C(O)CH3
  214212.2843  0.0154 -7.2112 3   76.6540264  5951614041614 2 1    1611 6 1      C-13-H3C(O)CH3
  214212.3405  0.0052 -4.6448 3  548.2041744  595161404462026 1    461927 1      C-13-H3C(O)CH3
  214212.3535  0.0052 -4.6448 3  548.2041744  595161404462126 1    462027 1      C-13-H3C(O)CH3
  214225.6612  0.0753 -5.8199 3 1081.0025508  595161404633429 3    633330 3      C-13-H3C(O)CH3
  214225.7564  0.0754 -5.8199 3 1081.0025508  595161404633429 4    633330 4      C-13-H3C(O)CH3
  214230.0513  0.3996 -6.0576 3 1306.4405A96  595161404684524 2    684425 2      C-13-H3C(O)CH3
  214241.3017  0.0165 -6.9353 3  419.0662632  595161404392317 0    382612 0      C-13-H3C(O)CH3
  214243.0736  0.3387 -6.0715 3 1306.4482A96  595161404684524 1    684425 1      C-13-H3C(O)CH3
  214243.2364  0.6264 -6.4871 3 1306.4799548  595161404684524 4    684425 4      C-13-H3C(O)CH3
  214246.6866  0.0031 -4.3814 3  284.9104568 -595161404351025 0    35 926 0      C-13-H3C(O)CH3
  214246.6866  0.0031 -4.3816 3  284.9104568 -595161404351125 0    351026 0      C-13-H3C(O)CH3
  214246.7117  0.0031 -7.2106 3  284.9104568  595161404351125 0    35 926 0      C-13-H3C(O)CH3
  214249.0029  0.0063 -4.9456 3  548.1812372  595161404462026 3    461927 3      C-13-H3C(O)CH3
  214249.0177  0.0063 -4.9456 3  548.1812372  595161404462126 3    462027 3      C-13-H3C(O)CH3
  214249.0577  0.0064 -4.9456 3  548.1812372  595161404462026 4    461927 4      C-13-H3C(O)CH3
  214249.0723  0.0064 -4.9456 3  548.1812372  595161404462126 4    462027 4      C-13-H3C(O)CH3
  214261.9382  0.3343 -6.2982 3 1503.9845B92  595161404744232 0    744133 0      C-13-H3C(O)CH3
  214270.4319  0.0609 -5.5188 3 1080.9884A16  595161404633429 1    633330 1      C-13-H3C(O)CH3
  214281.3898  0.0751 -5.5188 3 1080.9906A16  595161404633429 2    633330 2      C-13-H3C(O)CH3
  214308.9928  0.1380 -6.0852 3 1227.7793540  595161404673730 3    673631 3      C-13-H3C(O)CH3
  214309.1198  0.1377 -6.0852 3 1227.7794540  595161404673730 4    673631 4      C-13-H3C(O)CH3
  214321.1889  1.0415 -7.0462 3 1895.1152D36  595161404834835 1    834736 1      C-13-H3C(O)CH3
  214325.6869  0.0604 -5.5186 3 1080.9765A16  595161404633429 0    633330 0      C-13-H3C(O)CH3
  214361.3707  0.0145 -7.1838 3   76.6560264  5951614041614 2 2    1611 6 2      C-13-H3C(O)CH3
  214373.4544  0.0191 -5.1124 3  471.5576616  5951614043836 3 2    3835 4 2      C-13-H3C(O)CH3
  214375.1679  0.0381 -7.2431 3  442.5832648  595161404402417 2    392712 2      C-13-H3C(O)CH3
  214375.2190  0.0250 -5.4132 3  471.5042308  5951614043836 3 4    3835 4 4      C-13-H3C(O)CH3
  214376.0799  0.1864 -6.2578 3 1306.4800548  595161404684524 3    684425 3      C-13-H3C(O)CH3
  214376.9793  0.1112 -5.7839 3 1227.7644A80  595161404673730 1    673631 1      C-13-H3C(O)CH3
  214379.0719  0.0222 -6.2788 3  179.2069204  5951614042518 7 4    251510 4      C-13-H3C(O)CH3
  214406.8474  0.1401 -5.7838 3 1227.7678A80  595161404673730 2    673631 2      C-13-H3C(O)CH3
  214473.1381  0.1157 -5.9746 3 1131.4261508  595161404634321 4    634221 4      C-13-H3C(O)CH3
  214474.0046  0.1119 -5.7836 3 1227.7529A80  595161404673730 0    673631 0      C-13-H3C(O)CH3
  214480.4413  0.0130 -5.7420 3  179.2029408  5951614042518 7 0    251510 0      C-13-H3C(O)CH3
  214502.4077  0.3142 -6.7046 3 1720.9928C72  595161404794733 2    794634 2      C-13-H3C(O)CH3
  214504.0397  0.0076 -6.2441 3   86.0364296  5951614041810 8 2    18 711 2      C-13-H3C(O)CH3
  214505.3641  0.0682 -5.8189 3 1081.0040508  595161404633529 4    633430 4      C-13-H3C(O)CH3
  214505.4371  0.2066 -6.5901 3 1306.4482A96  595161404684523 1    684425 1      C-13-H3C(O)CH3
  214505.5693  0.0679 -5.8189 3 1081.0039508  595161404633529 3    633430 3      C-13-H3C(O)CH3
  214514.2911  0.4125 -6.7045 3 1720.9895C72  595161404794733 0    794634 0      C-13-H3C(O)CH3
  214522.4415  0.2270 -6.6392 3 1306.4405A96  595161404684523 2    684425 2      C-13-H3C(O)CH3
  214523.7811  0.5362 -6.8809 3 1381.5900B28  595161404704625 2    704525 2      C-13-H3C(O)CH3
  214538.4951  0.0597 -5.5177 3 1080.9898A16  595161404633529 1    633430 1      C-13-H3C(O)CH3
  214540.2130  0.6362 -6.9019 3 1381.6265564  595161404704625 4    704525 4      C-13-H3C(O)CH3
  214544.2001  0.0672 -5.5177 3 1080.9919A16  595161404633529 2    633430 2      C-13-H3C(O)CH3
  214545.2627  0.1393 -5.7275 3 1131.3799A16  595161404634321 1    634221 1      C-13-H3C(O)CH3
  214555.8203  1.0741 -7.0454 3 1895.1256D36  595161404834835 0    834736 0      C-13-H3C(O)CH3
  214557.1431  0.0074 -6.5500 3   86.0660148  5951614041810 8 3    18 711 3      C-13-H3C(O)CH3
  214572.4861  0.3348 -6.8900 3 1381.6002B28  595161404704625 1    704525 1      C-13-H3C(O)CH3
  214577.3105  0.0589 -5.5176 3 1080.9778A16  595161404633529 0    633430 0      C-13-H3C(O)CH3
  214578.6389  0.0160 -5.9242 3  179.1979408  5951614042518 7 2    251510 2      C-13-H3C(O)CH3
  214580.1827  0.0176 -5.1122 3  471.6053616  5951614043836 3 0    3835 3 0      C-13-H3C(O)CH3
  214580.1827  0.0176 -5.1122 3  471.6053616  5951614043836 2 0    3835 4 0      C-13-H3C(O)CH3
  214580.8229  0.0205 -5.1119 3  471.5518616  5951614043836 3 1    3835 4 1      C-13-H3C(O)CH3
  214587.2832  0.2273 -7.0054 3 1720.9920636  595161404794733 3    794634 3      C-13-H3C(O)CH3
  214588.1991  0.2282 -7.0054 3 1720.9920636  595161404794733 4    794634 4      C-13-H3C(O)CH3
  214589.0216  0.0106 -6.5499 3   86.0660148  5951614041810 8 4    18 711 4      C-13-H3C(O)CH3
  214596.3346  0.0040 -4.6925 3  263.7892276  59516140434 925 4    34 926 4      C-13-H3C(O)CH3
  214596.3346  0.0040 -6.2083 3  263.7892276  595161404341025 4    34 926 4      C-13-H3C(O)CH3
  214596.3346  0.0040 -6.2083 3  263.7892276  59516140434 925 4    34 826 4      C-13-H3C(O)CH3
  214596.3346  0.0040 -4.6925 3  263.7892276  595161404341025 4    34 826 4      C-13-H3C(O)CH3
  214596.5550  0.0035 -4.6816 3  263.7892276  595161404341025 3    34 926 3      C-13-H3C(O)CH3
  214596.5550  0.0035 -4.6816 3  263.7892276  59516140434 925 3    34 826 3      C-13-H3C(O)CH3
  214596.5550  0.0035 -7.0036 3  263.7892276  59516140434 925 3    34 926 3      C-13-H3C(O)CH3
  214596.5550  0.0035 -7.0036 3  263.7892276  595161404341025 3    34 826 3      C-13-H3C(O)CH3
  214600.1887  0.3873 -6.7043 3 1720.9886C72  595161404794733 1    794634 1      C-13-H3C(O)CH3
  214615.0324  0.0222 -5.4127 3  471.5590308  5951614043836 2 3    3835 3 3      C-13-H3C(O)CH3
  214615.5064  0.0073 -6.2408 3   86.0086296  5951614041810 8 0    18 711 0      C-13-H3C(O)CH3
  214616.0099  0.1151 -5.7295 3 1131.3792A16  595161404634321 2    634221 2      C-13-H3C(O)CH3
  214618.6889  0.0183 -6.4823 3  124.7993344  5951614042115 7 1    2016 4 1      C-13-H3C(O)CH3
  214622.0568  0.2150 -6.3764 3 1547.8269C08  595161404754432 2    754333 2      C-13-H3C(O)CH3
  214625.9392  1.3666 -7.0452 3 1895.1251D36  595161404834835 2    834736 2      C-13-H3C(O)CH3
  214635.1624  0.1980 -6.6773 3 1547.8308604  595161404754432 4    754333 4      C-13-H3C(O)CH3
  214635.2487  0.1967 -6.6773 3 1547.8308604  595161404754432 3    754333 3      C-13-H3C(O)CH3
  214640.2556  0.2610 -6.3763 3 1547.8183C08  595161404754432 0    754333 0      C-13-H3C(O)CH3
  214641.1809  0.0185 -5.1118 3  471.5899616  5951614043836 2 2    3835 3 2      C-13-H3C(O)CH3
  214641.2794  0.0224 -5.4125 3  471.5365308  5951614043836 3 3    3835 4 3      C-13-H3C(O)CH3
  214653.4366  0.2544 -6.3762 3 1547.8221C08  595161404754432 1    754333 1      C-13-H3C(O)CH3
  214658.4330  0.1170 -5.6517 3 1131.3345A16  595161404634320 0    634221 0      C-13-H3C(O)CH3
  214682.8778  0.0075 -6.2457 3   86.0381296  5951614041810 8 1    18 711 1      C-13-H3C(O)CH3
  214685.4797  0.0064 -6.8772 3  112.1396328  5951614042014 6 1    201110 1      C-13-H3C(O)CH3
  214699.0202  0.2747 -6.5443 3 1131.4213508  595161404634321 3    634221 3      C-13-H3C(O)CH3
  214703.2159  0.2642 -6.6435 3 1306.4799548  595161404684523 4    684425 4      C-13-H3C(O)CH3
  214703.6623  0.2688 -6.4493 3 1131.3799A16  595161404634320 1    634221 1      C-13-H3C(O)CH3
  214704.0054  0.3046 -6.4379 3 1131.3792A16  595161404634320 2    634221 2      C-13-H3C(O)CH3
  214706.6257  0.0033 -5.0480 3  263.7998552 -595161404341025 2    34 926 2      C-13-H3C(O)CH3
  214706.6257  0.0033 -5.0480 3  263.7998552 -59516140434 925 2    34 826 2      C-13-H3C(O)CH3
  214706.6550  0.0033 -4.4823 3  263.7998552  595161404341025 2    34 826 2      C-13-H3C(O)CH3
  214706.6550  0.0033 -4.4823 3  263.7998552  59516140434 925 2    34 926 2      C-13-H3C(O)CH3
  214711.5689  0.0034 -5.6687 3  263.8007552  595161404341025 1    34 826 1      C-13-H3C(O)CH3
  214711.5689  0.0034 -5.8581 3  263.8007552  59516140434 925 1    34 926 1      C-13-H3C(O)CH3
  214711.6256  0.0034 -4.3925 3  263.8007552 -59516140434 925 1    34 826 1      C-13-H3C(O)CH3
  214711.6256  0.0034 -4.4007 3  263.8007552 -595161404341025 1    34 926 1      C-13-H3C(O)CH3
  214712.1280  0.0062 -7.0030 3  112.1363328  5951614042014 6 2    201110 2      C-13-H3C(O)CH3
  214717.3324  0.4320 -7.2760 3 1131.4261508  595161404634320 4    634221 4      C-13-H3C(O)CH3
  214724.8814  0.0176 -6.3335 3  124.8049344  5951614042115 7 2    2016 4 2      C-13-H3C(O)CH3
  214774.3267  0.2030 -6.0811 3 1131.4213508  595161404634320 3    634221 3      C-13-H3C(O)CH3
  214779.8866  0.2362 -6.0921 3 1381.5637B28  595161404704624 0    704525 0      C-13-H3C(O)CH3
  214792.1919  0.3151 -6.4487 3 1131.3717A16  595161404634321 1    634222 1      C-13-H3C(O)CH3
  214799.5653  0.1160 -5.6511 3 1131.3291A16  595161404634321 0    634222 0      C-13-H3C(O)CH3
  214821.4650  0.0031 -4.3820 3  263.8113552 -595161404341025 0    34 926 0      C-13-H3C(O)CH3
  214821.4650  0.0031 -4.3820 3  263.8113552 -59516140434 925 0    34 826 0      C-13-H3C(O)CH3
  214821.4716  0.0031 -6.3458 3  263.8113552  59516140434 925 0    34 926 0      C-13-H3C(O)CH3
  214821.4716  0.0031 -6.3458 3  263.8113552  595161404341025 0    34 826 0      C-13-H3C(O)CH3
  214822.7774  0.0188 -5.1114 3  471.6067616  5951614043836 2 1    3835 3 1      C-13-H3C(O)CH3
  214842.3197  0.0025 -4.0704 3   75.8423172  59516140421 120 3    20 119 3      C-13-H3C(O)CH3
  214842.3197  0.0025 -4.0704 3   75.8423172  59516140421 220 3    20 219 3      C-13-H3C(O)CH3
  214842.3480  0.0024 -5.3343 3   75.8423172  59516140421 120 4    20 219 4      C-13-H3C(O)CH3
  214842.3480  0.0024 -5.3343 3   75.8423172  59516140421 220 4    20 119 4      C-13-H3C(O)CH3
  214842.3715  0.0024 -4.0271 3   75.8423172 -59516140421 220 4    20 219 4      C-13-H3C(O)CH3
  214842.3715  0.0024 -4.0271 3   75.8423172 -59516140421 120 4    20 119 4      C-13-H3C(O)CH3
  214842.3715  0.0025 -4.8686 3   75.8423172 -59516140421 120 3    20 219 3      C-13-H3C(O)CH3
  214842.3715  0.0025 -4.8686 3   75.8423172 -59516140421 220 3    20 119 3      C-13-H3C(O)CH3
  214860.4104  0.1764 -6.0807 3 1131.4159508  595161404634321 3    634222 3      C-13-H3C(O)CH3
  214863.6167  0.0027 -5.4967 3   75.7815344  59516140421 220 1    20 119 1      C-13-H3C(O)CH3
  214863.6167  0.0027 -5.4967 3   75.7815344  59516140421 120 1    20 219 1      C-13-H3C(O)CH3
  214863.6947  0.0025 -4.1811 3   75.7810344 -59516140421 120 2    20 119 2      C-13-H3C(O)CH3
  214863.6947  0.0027 -3.7121 3   75.7815344 -59516140421 120 1    20 119 1      C-13-H3C(O)CH3
  214863.6947  0.0027 -3.7121 3   75.7815344 -59516140421 220 1    20 219 1      C-13-H3C(O)CH3
  214863.6947  0.0025 -4.1811 3   75.7810344 -59516140421 220 2    20 219 2      C-13-H3C(O)CH3
  214863.7468  0.0025 -3.8816 3   75.7810344  59516140421 120 2    20 219 2      C-13-H3C(O)CH3
  214863.7468  0.0025 -3.8816 3   75.7810344  59516140421 220 2    20 119 2      C-13-H3C(O)CH3
  214883.3255  0.0224 -5.4121 3  471.5913308  5951614043836 2 4    3835 3 4      C-13-H3C(O)CH3
  214884.9832  0.0024 -3.7220 3   75.7204344  59516140421 120 0    20 219 0      C-13-H3C(O)CH3
  214884.9832  0.0024 -5.1158 3   75.7204344  59516140421 220 0    20 219 0      C-13-H3C(O)CH3
  214884.9988  0.0024 -3.7220 3   75.7204344 -59516140421 220 0    20 119 0      C-13-H3C(O)CH3
  214884.9988  0.0024 -5.1158 3   75.7204344 -59516140421 120 0    20 119 0      C-13-H3C(O)CH3
  214893.5234  0.3813 -6.4370 3 1131.3700A16  595161404634321 2    634222 2      C-13-H3C(O)CH3
  214916.8026  0.5310 -7.2748 3 1131.4113508  595161404634321 4    634222 4      C-13-H3C(O)CH3
  214924.1392  0.0111 -6.9188 3  455.3076340  595161404421824 4    412121 4      C-13-H3C(O)CH3
  214924.2440  0.0111 -6.9188 3  455.3076340  595161404421824 3    412121 3      C-13-H3C(O)CH3
  214935.7169  0.3126 -6.5434 3 1131.4159508  595161404634320 3    634222 3      C-13-H3C(O)CH3
  214935.7445  0.3122 -6.1672 3 1381.6002B28  595161404704624 1    704525 1      C-13-H3C(O)CH3
  214937.3507  0.0106 -6.6185 3  455.3346680  595161404421824 1    412121 1      C-13-H3C(O)CH3
  214942.6828  0.0111 -6.9188 3  455.3070340  595161404421924 4    412021 4      C-13-H3C(O)CH3
  214942.8429  0.0111 -6.9188 3  455.3070340  595161404421924 3    412021 3      C-13-H3C(O)CH3
  214950.5914  0.1145 -5.7262 3 1131.3717A16  595161404634320 1    634222 1      C-13-H3C(O)CH3
  214954.9061  0.0106 -6.6184 3  455.3340680  595161404421924 1    412021 1      C-13-H3C(O)CH3
  214956.5608  0.2749 -6.1689 3 1381.5900B28  595161404704624 2    704525 2      C-13-H3C(O)CH3
  214974.2311  0.0111 -6.6163 3  455.3312680  595161404421824 2    412121 2      C-13-H3C(O)CH3
  214981.5189  0.1122 -5.7284 3 1131.3700A16  595161404634320 2    634222 2      C-13-H3C(O)CH3
  214987.1502  0.0092 -6.6170 3  455.3581680  595161404421824 0    412121 0      C-13-H3C(O)CH3
  214991.7827  0.2662 -6.3960 3 1381.6267564  595161404704624 3    704525 3      C-13-H3C(O)CH3
  214992.3514  0.0111 -6.6162 3  455.3306680  595161404421924 2    412021 2      C-13-H3C(O)CH3
  214998.4514  0.0097 -6.9133 3  112.1538164  5951614042014 6 4    201110 4      C-13-H3C(O)CH3
  215004.2600  0.0092 -6.6169 3  455.3575680  595161404421924 0    412021 0      C-13-H3C(O)CH3
  215051.3735  0.0066 -5.8707 3  195.9573440  595161404271413 2    261710 2      C-13-H3C(O)CH3
  215055.8461  0.0260 -7.1749 3  442.5654648  595161404402417 1    392712 1      C-13-H3C(O)CH3
  215072.9046  0.0044 -4.7662 3  243.2901268  59516140433 925 4    33 826 4      C-13-H3C(O)CH3
  215072.9046  0.0044 -4.7662 3  243.2901268  59516140433 825 4    33 726 4      C-13-H3C(O)CH3
  215072.9046  0.0044 -5.4396 3  243.2901268  59516140433 825 4    33 826 4      C-13-H3C(O)CH3
  215072.9046  0.0044 -5.4396 3  243.2901268  59516140433 925 4    33 726 4      C-13-H3C(O)CH3
  215073.1146  0.0038 -4.6836 3  243.2901268  59516140433 925 3    33 826 3      C-13-H3C(O)CH3
  215073.1146  0.0038 -4.6836 3  243.2901268  59516140433 825 3    33 726 3      C-13-H3C(O)CH3
  215076.8082  0.0065 -5.8691 3  195.9692440  595161404271413 0    261710 0      C-13-H3C(O)CH3
  215135.7588  0.5980 -6.8345 3 1629.4993620  595161404774433 3    774334 3      C-13-H3C(O)CH3
  215135.7608  0.5963 -6.8345 3 1629.4993620  595161404774433 4    774334 4      C-13-H3C(O)CH3
  215142.7398  0.8071 -6.9917 3 1869.0546D20  595161404825132 2    825033 2      C-13-H3C(O)CH3
  215160.9969  0.1287 -5.9725 3 1131.4113508  595161404634320 4    634222 4      C-13-H3C(O)CH3
  215164.8452  1.6040 -7.1944 3 1966.6059D52  595161404845331 2    845232 2      C-13-H3C(O)CH3
  215174.4667  0.4417 -6.5536 3 1381.6265564  595161404704624 4    704525 4      C-13-H3C(O)CH3
  215175.0315  0.4870 -6.5333 3 1629.4930C40  595161404774433 1    774334 1      C-13-H3C(O)CH3
  215177.2757  0.0070 -6.1726 3  195.9466220  595161404271413 3    261710 3      C-13-H3C(O)CH3
  215192.1400  0.1546 -6.3682 3 1383.4122572  595161404714131 4    714032 4      C-13-H3C(O)CH3
  215192.5385  0.1537 -6.3682 3 1383.4122572  595161404714131 3    714032 3      C-13-H3C(O)CH3
  215196.2105  0.6278 -6.9914 3 1869.0574D20  595161404825132 0    825033 0      C-13-H3C(O)CH3
  215211.1753  0.0033 -4.3868 3  243.2944536 -59516140433 925 2    33 826 2      C-13-H3C(O)CH3
  215211.1753  0.0033 -4.3868 3  243.2944536 -59516140433 825 2    33 726 2      C-13-H3C(O)CH3
  215211.1834  0.0033 -6.2460 3  243.2944536  59516140433 925 2    33 726 2      C-13-H3C(O)CH3
  215211.1834  0.0033 -6.2460 3  243.2944536  59516140433 825 2    33 826 2      C-13-H3C(O)CH3
  215215.6832  0.0034 -4.7836 3  243.2953536  59516140433 825 1    33 726 1      C-13-H3C(O)CH3
  215215.6832  0.0034 -4.5997 3  243.2953536  59516140433 925 1    33 726 1      C-13-H3C(O)CH3
  215215.7335  0.0034 -4.7836 3  243.2953536 -59516140433 925 1    33 826 1      C-13-H3C(O)CH3
  215215.7335  0.0034 -4.5997 3  243.2953536 -59516140433 825 1    33 826 1      C-13-H3C(O)CH3
  215225.0851  0.1560 -6.0671 3 1383.4035B44  595161404714131 2    714032 2      C-13-H3C(O)CH3
  215225.7184  0.1639 -6.0670 3 1383.3992B44  595161404714131 1    714032 1      C-13-H3C(O)CH3
  215235.3214  0.0178 -5.2665 3  575.1583348  5951614044337 7 4    4336 8 4      C-13-H3C(O)CH3
  215243.8787  0.0069 -5.8715 3  195.9571440  595161404271413 1    261710 1      C-13-H3C(O)CH3
  215258.6888  0.1651 -6.0669 3 1383.3905B44  595161404714131 0    714032 0      C-13-H3C(O)CH3
  215265.0965  0.0191 -7.0144 3  442.5782648  595161404402417 0    392712 0      C-13-H3C(O)CH3
  215265.7548  0.0137 -4.9656 3  575.1846696  5951614044337 7 2    4336 8 2      C-13-H3C(O)CH3
  215267.4923  0.0072 -6.1756 3  195.9437220  595161404271413 4    261710 4      C-13-H3C(O)CH3
  215278.9734  0.0356 -5.5139 3  908.2137468  595161404583028 3    582929 3      C-13-H3C(O)CH3
  215279.0441  0.0358 -5.5139 3  908.2137468  595161404583028 4    582929 4      C-13-H3C(O)CH3
  215280.8467  1.2987 -7.1921 3 1966.6113D52  595161404845331 0    845232 0      C-13-H3C(O)CH3
  215287.8132  0.0276 -5.2129 3  908.2060936  595161404583028 1    582929 1      C-13-H3C(O)CH3
  215289.3413  0.0348 -5.2129 3  908.2067936  595161404583028 2    582929 2      C-13-H3C(O)CH3
  215290.2767  0.1069 -6.0814 3 1227.7852540  595161404673830 4    673731 4      C-13-H3C(O)CH3
  215290.6366  0.1064 -6.0814 3 1227.7852540  595161404673830 3    673731 3      C-13-H3C(O)CH3
  215291.5736  0.0092 -4.9624 3   37.8229100 -59516140412 9 4 4    11 8 3 4      C-13-H3C(O)CH3
  215298.0833  0.0265 -5.2130 3  908.1991936  595161404583028 0    582929 0      C-13-H3C(O)CH3
  215308.7403  0.0351 -5.5138 3  908.2138468  595161404583128 4    583029 4      C-13-H3C(O)CH3
  215308.7406  0.0350 -5.5138 3  908.2138468  595161404583128 3    583029 3      C-13-H3C(O)CH3
  215309.1762  0.7194 -6.7823 3 1759.8753C88  595161404804634 1    804535 1      C-13-H3C(O)CH3
  215311.9460  0.0171 -5.2663 3  575.1790348  5951614044337 7 3    4336 8 3      C-13-H3C(O)CH3
  215315.7048  0.0276 -5.2128 3  908.2061936  595161404583128 1    583029 1      C-13-H3C(O)CH3
  215316.7118  0.8730 -7.0833 3 1759.8780644  595161404804634 4    804535 4      C-13-H3C(O)CH3
  215316.7430  0.8748 -7.0833 3 1759.8780644  595161404804634 3    804535 3      C-13-H3C(O)CH3
  215316.8929  0.0341 -5.2128 3  908.2068936  595161404583128 2    583029 2      C-13-H3C(O)CH3
  215323.8954  0.0264 -5.2129 3  908.1992936  595161404583128 0    583029 0      C-13-H3C(O)CH3
  215330.5572  0.1014 -5.7802 3 1227.7700A80  595161404673830 1    673731 1      C-13-H3C(O)CH3
  215337.8534  0.1061 -5.7802 3 1227.7733A80  595161404673830 2    673731 2      C-13-H3C(O)CH3
  215341.4286  0.6380 -6.5327 3 1629.5004C40  595161404774433 2    774334 2      C-13-H3C(O)CH3
  215343.7596  0.0132 -4.9654 3  575.2052696  5951614044337 6 2    4336 7 2      C-13-H3C(O)CH3
  215353.4944  0.0032 -5.0500 3  243.2996536  59516140433 925 0    33 826 0      C-13-H3C(O)CH3
  215353.4944  0.0032 -4.4847 3  243.2996536  59516140433 825 0    33 826 0      C-13-H3C(O)CH3
  215353.4944  0.0032 -5.0500 3  243.2996536  59516140433 825 0    33 726 0      C-13-H3C(O)CH3
  215353.4944  0.0032 -4.4847 3  243.2996536  59516140433 925 0    33 726 0      C-13-H3C(O)CH3
  215359.2205  0.0044 -4.6046 3  520.7211728  595161404451926 0    451827 0      C-13-H3C(O)CH3
  215359.2240  0.0044 -4.6046 3  520.7211728  595161404452026 0    451927 0      C-13-H3C(O)CH3
  215378.1418  0.1013 -5.7801 3 1227.7581A80  595161404673830 0    673731 0      C-13-H3C(O)CH3
  215378.4934  0.0163 -5.2662 3  575.1965348  5951614044337 6 3    4336 7 3      C-13-H3C(O)CH3
  215380.6375  0.5010 -6.5326 3 1629.4941C40  595161404774433 0    774334 0      C-13-H3C(O)CH3
  215381.0145  0.0148 -4.9652 3  575.1695696  5951614044337 7 1    4336 8 1      C-13-H3C(O)CH3
  215393.4890  0.0055 -4.6043 3  520.6961728  595161404451926 2    451827 2      C-13-H3C(O)CH3
  215393.4930  0.0055 -4.6043 3  520.6961728  595161404452026 2    451927 2      C-13-H3C(O)CH3
  215398.6300  0.0048 -4.6043 3  520.6975728  595161404451926 1    451827 1      C-13-H3C(O)CH3
  215398.6339  0.0048 -4.6043 3  520.6975728  595161404452026 1    451927 1      C-13-H3C(O)CH3
  215410.1161  0.0225 -5.2443 3  453.7381600  5951614043736 2 2    3735 3 2      C-13-H3C(O)CH3
  215412.6902  0.0133 -4.9654 3  575.1957696  5951614044337 6 0    4336 7 0      C-13-H3C(O)CH3
  215412.6902  0.0133 -4.9654 3  575.1957696  5951614044337 7 0    4336 8 0      C-13-H3C(O)CH3
  215424.4582  0.5951 -6.9907 3 1869.0645D20  595161404825132 1    825033 1      C-13-H3C(O)CH3
  215430.8655  0.0287 -5.5449 3  453.6795300  5951614043736 2 4    3735 3 4      C-13-H3C(O)CH3
  215432.9709  0.0057 -4.9051 3  520.6724364  595161404451926 3    451827 3      C-13-H3C(O)CH3
  215432.9753  0.0057 -4.9051 3  520.6724364  595161404452026 3    451927 3      C-13-H3C(O)CH3
  215433.0046  0.0057 -4.9051 3  520.6724364  595161404451926 4    451827 4      C-13-H3C(O)CH3
  215433.0090  0.0057 -4.9051 3  520.6724364  595161404452026 4    451927 4      C-13-H3C(O)CH3
  215455.6909  0.0161 -5.2661 3  575.2170348  5951614044337 6 4    4336 7 4      C-13-H3C(O)CH3
  215498.8043  0.0249 -6.4000 3  208.0575220  5951614042719 9 4    271611 4      C-13-H3C(O)CH3
  215505.1606  0.0049 -5.4271 3  223.3818260  59516140432 725 4    32 626 4      C-13-H3C(O)CH3
  215505.1606  0.0049 -4.7825 3  223.3818260  59516140432 825 4    32 626 4      C-13-H3C(O)CH3
  215505.1606  0.0049 -4.8063 3  223.3818260  59516140432 725 4    32 726 4      C-13-H3C(O)CH3
  215505.1606  0.0049 -5.3354 3  223.3818260  59516140432 825 4    32 726 4      C-13-H3C(O)CH3
  215505.3432  0.0042 -4.9260 3  223.3818260  59516140432 725 3    32 626 3      C-13-H3C(O)CH3
  215505.3432  0.0042 -4.9260 3  223.3818260  59516140432 825 3    32 726 3      C-13-H3C(O)CH3
  215505.3432  0.0042 -5.0765 3  223.3818260  59516140432 725 3    32 726 3      C-13-H3C(O)CH3
  215505.3432  0.0042 -5.0765 3  223.3818260  59516140432 825 3    32 626 3      C-13-H3C(O)CH3
  215525.6090  0.0134 -4.9650 3  575.2075696  5951614044337 6 1    4336 7 1      C-13-H3C(O)CH3
  215532.8727  0.7417 -6.7815 3 1759.8812C88  595161404804634 0    804535 0      C-13-H3C(O)CH3
  215537.5394  0.0245 -6.7245 3  215.9931424  5951614042624 3 0    2525 0 0      C-13-H3C(O)CH3
  215537.5395  0.0245 -6.7245 3  215.9931424  5951614042624 2 0    2525 1 0      C-13-H3C(O)CH3
  215539.9312  0.9436 -6.7815 3 1759.8838C88  595161404804634 2    804535 2      C-13-H3C(O)CH3
  215564.5969  1.2895 -7.1911 3 1966.6171D52  595161404845331 1    845232 1      C-13-H3C(O)CH3
  215598.5362  0.0081 -5.8881 3  132.0115360  5951614042213 9 2    221012 2      C-13-H3C(O)CH3
  215601.2456  0.0248 -5.4080 3  770.1418412  595161404513912 4    513813 4      C-13-H3C(O)CH3
  215615.9567  0.0080 -5.8855 3  132.0038360  5951614042213 9 0    221012 0      C-13-H3C(O)CH3
  215617.2846  0.3767 -6.5936 3 1657.3814C40  595161404774929 0    774830 0      C-13-H3C(O)CH3
  215619.9298  0.0205 -5.2440 3  453.7949600  5951614043736 2 0    3735 2 0      C-13-H3C(O)CH3
  215619.9298  0.0205 -5.2440 3  453.7949600  5951614043736 1 0    3735 3 0      C-13-H3C(O)CH3
  215623.0045  0.5957 -6.5965 3 1657.3887C40  595161404774929 2    774830 2      C-13-H3C(O)CH3
  215639.7180  0.0241 -5.2437 3  453.7362600  5951614043736 2 1    3735 3 1      C-13-H3C(O)CH3
  215662.3583  0.0206 -5.4077 3  770.1242412  595161404513913 3    513814 3      C-13-H3C(O)CH3
  215663.0604  0.0239 -6.7247 3  215.9161424  5951614042624 3 1    2525 1 1      C-13-H3C(O)CH3
  215668.9564  0.0187 -5.1067 3  770.1096824  595161404513912 2    513813 2      C-13-H3C(O)CH3
  215672.9865  0.0145 -6.5882 3  114.5896164  5951614042015 6 4    2012 9 4      C-13-H3C(O)CH3
  215673.7805  0.0035 -4.8467 3  223.3788520  59516140432 725 2    32 726 2      C-13-H3C(O)CH3
  215673.7805  0.0035 -4.8467 3  223.3788520  59516140432 825 2    32 626 2      C-13-H3C(O)CH3
  215673.7814  0.0035 -4.5794 3  223.3788520 -59516140432 825 2    32 726 2      C-13-H3C(O)CH3
  215673.7814  0.0035 -4.5794 3  223.3788520 -59516140432 725 2    32 626 2      C-13-H3C(O)CH3
  215677.8082  0.0038 -5.5915 3  223.3795520  59516140432 725 1    32 726 1      C-13-H3C(O)CH3
  215677.8082  0.0038 -5.5915 3  223.3795520  59516140432 825 1    32 626 1      C-13-H3C(O)CH3
  215677.8617  0.0038 -4.4202 3  223.3795520 -59516140432 725 1    32 626 1      C-13-H3C(O)CH3
  215677.8617  0.0038 -4.4202 3  223.3795520 -59516140432 825 1    32 726 1      C-13-H3C(O)CH3
  215685.1717  0.0265 -5.5444 3  453.7394300  5951614043736 1 3    3735 2 3      C-13-H3C(O)CH3
  215693.5841  0.6740 -7.1479 3 1458.8146B60  595161404724726 2    724626 2      C-13-H3C(O)CH3
  215724.5354  0.0223 -5.2435 3  453.7753600  5951614043736 1 2    3735 2 2      C-13-H3C(O)CH3
  215730.5355  0.8177 -7.1605 3 1458.8474580  595161404724726 4    724626 4      C-13-H3C(O)CH3
  215743.5824  0.0059 -6.8907 3   14.6785 68  595161404 8 7 2 4     7 4 4 4      C-13-H3C(O)CH3
  215743.7214  0.0265 -5.5442 3  453.7167300  5951614043736 2 3    3735 3 3      C-13-H3C(O)CH3
  215768.2804  0.0181 -5.1065 3  770.0988824  595161404513912 1    513813 1      C-13-H3C(O)CH3
  215785.2362  0.0205 -5.4074 3  770.1283412  595161404513912 3    513813 3      C-13-H3C(O)CH3
  215795.7303  0.3915 -7.2508 3 1458.8264B60  595161404724726 1    724626 1      C-13-H3C(O)CH3
  215805.3317  0.6566 -6.8983 3 1657.4100620  595161404774929 4    774830 4      C-13-H3C(O)CH3
  215805.6948  0.3993 -6.5932 3 1657.4024C40  595161404774929 1    774830 1      C-13-H3C(O)CH3
  215811.4235  0.0078 -5.2516 3  124.7819344  5951614042115 7 0    2016 4 0      C-13-H3C(O)CH3
  215811.4513  0.0058 -5.9001 3  209.1745456  595161404281414 2    271711 2      C-13-H3C(O)CH3
  215814.1386  0.0057 -6.2039 3  209.1642228  595161404281414 3    271711 3      C-13-H3C(O)CH3
  215817.3232  0.5522 -6.8961 3 1657.4095620  595161404774929 3    774830 3      C-13-H3C(O)CH3
  215828.5268  0.0173 -5.1062 3  770.0813824  595161404513913 1    513814 1      C-13-H3C(O)CH3
  215828.8256  0.0157 -6.8664 3   95.9645296  5951614041815 4 1    1812 6 1      C-13-H3C(O)CH3
  215835.3996  0.0164 -5.1063 3  770.0666824  595161404513912 0    513813 0      C-13-H3C(O)CH3
  215835.4470  0.0164 -5.1063 3  770.0666824  595161404513913 0    513814 0      C-13-H3C(O)CH3
  215837.2874  0.0053 -6.2040 3  209.1635228  595161404281414 4    271711 4      C-13-H3C(O)CH3
  215837.5403  0.0087 -6.1941 3  132.0223180  5951614042213 9 3    221012 3      C-13-H3C(O)CH3
  215845.4216  0.0193 -5.4072 3  770.1107412  595161404513913 4    513814 4      C-13-H3C(O)CH3
  215845.9187  0.0034 -4.5366 3  223.3765520  59516140432 825 0    32 626 0      C-13-H3C(O)CH3
  215845.9187  0.0034 -5.1122 3  223.3765520  59516140432 725 0    32 726 0      C-13-H3C(O)CH3
  215845.9347  0.0034 -4.4825 3  223.3765520 -59516140432 725 0    32 626 0      C-13-H3C(O)CH3
  215845.9347  0.0034 -4.9363 3  223.3765520 -59516140432 825 0    32 726 0      C-13-H3C(O)CH3
  215851.9179  0.0173 -5.1062 3  770.0961824  595161404513913 2    513814 2      C-13-H3C(O)CH3
  215858.1701  0.0125 -6.1941 3  132.0224180  5951614042213 9 4    221012 4      C-13-H3C(O)CH3
  215861.7341  0.0082 -5.8905 3  132.0146360  5951614042213 9 1    221012 1      C-13-H3C(O)CH3
  215866.6735  0.0057 -5.8990 3  209.1879456  595161404281414 0    271711 0      C-13-H3C(O)CH3
  215878.4932  0.0059 -5.9018 3  209.1773456  595161404281414 1    271711 1      C-13-H3C(O)CH3
  215896.1397  0.0056 -4.7221 3  204.0655252  59516140431 625 4    31 526 4      C-13-H3C(O)CH3
  215896.1397  0.0056 -6.4995 3  204.0655252  59516140431 725 4    31 526 4      C-13-H3C(O)CH3
  215896.1397  0.0056 -6.4995 3  204.0655252  59516140431 625 4    31 626 4      C-13-H3C(O)CH3
  215896.1397  0.0056 -4.7221 3  204.0655252  59516140431 725 4    31 626 4      C-13-H3C(O)CH3
  215896.2263  0.0226 -5.2432 3  453.7962600  5951614043736 1 1    3735 2 1      C-13-H3C(O)CH3
  215896.2743  0.0048 -5.2048 3  204.0654252  59516140431 625 3    31 626 3      C-13-H3C(O)CH3
  215896.2743  0.0048 -4.8848 3  204.0654252  59516140431 625 3    31 526 3      C-13-H3C(O)CH3
  215896.2743  0.0048 -4.8848 3  204.0654252  59516140431 725 3    31 626 3      C-13-H3C(O)CH3
  215896.2743  0.0048 -5.2048 3  204.0654252  59516140431 725 3    31 526 3      C-13-H3C(O)CH3
  215931.7053  0.0240 -6.7229 3  215.9128424  5951614042624 3 2    2525 1 2      C-13-H3C(O)CH3
  215934.9237  0.0030 -3.9816 3   77.1805180  59516140422 122 3    21 021 3      C-13-H3C(O)CH3
  215934.9237  0.0030 -3.9816 3   77.1805180  59516140422 022 3    21 121 3      C-13-H3C(O)CH3
  215934.9262  0.0030 -3.9589 3   77.1805180  59516140422 122 4    21 021 4      C-13-H3C(O)CH3
  215934.9262  0.0030 -3.9589 3   77.1805180  59516140422 022 4    21 121 4      C-13-H3C(O)CH3
  215934.9604  0.0030 -6.3349 3   77.1805180 -59516140422 122 4    21 121 4      C-13-H3C(O)CH3
  215934.9604  0.0030 -5.2180 3   77.1805180 -59516140422 122 3    21 121 3      C-13-H3C(O)CH3
  215934.9604  0.0030 -5.2180 3   77.1805180 -59516140422 022 3    21 021 3      C-13-H3C(O)CH3
  215934.9604  0.0030 -6.3349 3   77.1805180 -59516140422 022 4    21 021 4      C-13-H3C(O)CH3
  215941.1091  0.0034 -3.6797 3   77.1098360  59516140422 122 1    21 121 1      C-13-H3C(O)CH3
  215941.1091  0.0034 -4.9297 3   77.1098360  59516140422 022 1    21 121 1      C-13-H3C(O)CH3
  215941.1985  0.0033 -3.7269 3   77.1093360 -59516140422 122 2    21 121 2      C-13-H3C(O)CH3
  215941.1985  0.0033 -4.4775 3   77.1093360 -59516140422 022 2    21 121 2      C-13-H3C(O)CH3
  215941.1985  0.0034 -3.6797 3   77.1098360 -59516140422 022 1    21 021 1      C-13-H3C(O)CH3
  215941.1985  0.0034 -4.9297 3   77.1098360 -59516140422 122 1    21 021 1      C-13-H3C(O)CH3
  215941.2172  0.0033 -3.7269 3   77.1093360  59516140422 022 2    21 021 2      C-13-H3C(O)CH3
  215941.2172  0.0033 -4.4775 3   77.1093360  59516140422 122 2    21 021 2      C-13-H3C(O)CH3
  215947.3825  0.0031 -4.3836 3   77.0387360  59516140422 122 0    21 021 0      C-13-H3C(O)CH3
  215947.3825  0.0031 -4.3836 3   77.0387360  59516140422 022 0    21 121 0      C-13-H3C(O)CH3
  215947.4210  0.0031 -3.7457 3   77.0387360 -59516140422 122 0    21 121 0      C-13-H3C(O)CH3
  215947.4210  0.0031 -3.7457 3   77.0387360 -59516140422 022 0    21 021 0      C-13-H3C(O)CH3
  215957.5904  0.0246 -6.7225 3  215.9267424  5951614042624 2 1    2525 0 1      C-13-H3C(O)CH3
  215959.1271  0.0091 -4.8956 3  717.9678840  595161404522527 0    522428 0      C-13-H3C(O)CH3
  215959.8562  0.0091 -4.8956 3  717.9678840  595161404522627 0    522528 0      C-13-H3C(O)CH3
  215967.9391  0.0165 -6.2128 3  208.0697440  5951614042719 9 1    271611 1      C-13-H3C(O)CH3
  215974.6636  0.0126 -5.3404 3  288.2655520  595161404322111 1    321814 1      C-13-H3C(O)CH3
  215986.5686  0.0139 -4.8954 3  717.9609840  595161404522527 2    522428 2      C-13-H3C(O)CH3
  215987.3707  0.0138 -4.8954 3  717.9609840  595161404522627 2    522528 2      C-13-H3C(O)CH3
  215989.1908  0.0101 -4.8954 3  717.9615840  595161404522527 1    522428 1      C-13-H3C(O)CH3
  215989.9904  0.0102 -4.8954 3  717.9615840  595161404522627 1    522528 1      C-13-H3C(O)CH3
  215998.1707  0.0225 -6.7215 3  215.9441424  5951614042624 2 2    2525 0 2      C-13-H3C(O)CH3
  216000.7249  0.0273 -5.5437 3  453.7765300  5951614043736 1 4    3735 2 4      C-13-H3C(O)CH3
  216016.6831  0.0144 -5.1962 3  717.9545420  595161404522527 3    522428 3      C-13-H3C(O)CH3
  216016.7819  0.0145 -5.1962 3  717.9545420  595161404522527 4    522428 4      C-13-H3C(O)CH3
  216017.5628  0.0144 -5.1962 3  717.9545420  595161404522627 3    522528 3      C-13-H3C(O)CH3
  216017.6572  0.0145 -5.1962 3  717.9545420  595161404522627 4    522528 4      C-13-H3C(O)CH3
  216054.7659  0.0233 -7.0242 3  215.8361212  5951614042624 3 4    2525 1 4      C-13-H3C(O)CH3
  216097.4046  0.0042 -4.7137 3  204.0540504  59516140431 625 2    31 526 2      C-13-H3C(O)CH3
  216097.4046  0.0042 -4.7137 3  204.0540504  59516140431 725 2    31 626 2      C-13-H3C(O)CH3
  216097.4089  0.0042 -4.7139 3  204.0540504 -59516140431 625 2    31 626 2      C-13-H3C(O)CH3
  216097.4089  0.0042 -4.7139 3  204.0540504 -59516140431 725 2    31 526 2      C-13-H3C(O)CH3
  216099.0107  0.0184 -6.9618 3  208.0572220  5951614042719 9 3    271611 3      C-13-H3C(O)CH3
  216100.9032  0.0044 -6.0723 3  204.0546504  59516140431 625 1    31 526 1      C-13-H3C(O)CH3
  216100.9032  0.0044 -4.4225 3  204.0546504  59516140431 625 1    31 626 1      C-13-H3C(O)CH3
  216100.9032  0.0044 -6.0723 3  204.0546504  59516140431 725 1    31 626 1      C-13-H3C(O)CH3
  216100.9032  0.0044 -4.4225 3  204.0546504  59516140431 725 1    31 526 1      C-13-H3C(O)CH3
  216103.4825  0.6947 -7.1420 3 1951.5305D52  595161404845134 2    845035 2      C-13-H3C(O)CH3
  216118.4009  0.2902 -6.2295 3 1458.7934B60  595161404724725 0    724626 0      C-13-H3C(O)CH3
  216120.3930  0.0233 -7.0228 3  215.8673212  5951614042624 2 3    2525 0 3      C-13-H3C(O)CH3
  216124.2017  0.0115 -5.3399 3  288.2798520  595161404322111 0    321814 0      C-13-H3C(O)CH3
  216126.5254  0.0119 -5.6418 3  288.2389260  595161404322111 4    321814 4      C-13-H3C(O)CH3
  216127.3274  0.0180 -5.3064 3  668.5752380  595161404473810 3    473711 3      C-13-H3C(O)CH3
  216145.9321  0.0679 -5.7900 3 1034.0721484  595161404604219 4    604119 4      C-13-H3C(O)CH3
  216155.3589  0.0160 -5.6429 3  288.2386260  595161404322111 3    321814 3      C-13-H3C(O)CH3
  216159.1891  0.7350 -7.1419 3 1951.5346D52  595161404845134 0    845035 0      C-13-H3C(O)CH3
  216159.2296  0.0154 -5.0055 3  668.5798760  5951614044738 9 2    473710 2      C-13-H3C(O)CH3
  216175.2869  0.0199 -5.3064 3  668.6018380  5951614044738 9 4    473710 4      C-13-H3C(O)CH3
  216183.9332  0.0189 -6.1805 3  194.4988408  5951614042522 4 0    2423 1 0      C-13-H3C(O)CH3
  216183.9356  0.0189 -6.1805 3  194.4988408  5951614042522 3 0    2423 2 0      C-13-H3C(O)CH3
  216188.8169  0.0168 -5.3062 3  668.5597380  595161404473810 4    473711 4      C-13-H3C(O)CH3
  216219.9234  0.0145 -5.0053 3  668.5644760  595161404473810 2    473711 2      C-13-H3C(O)CH3
  216237.1404  0.0180 -5.3062 3  668.5864380  5951614044738 9 3    473710 3      C-13-H3C(O)CH3
  216245.3997  0.0180 -6.0061 3  124.7618172  5951614042115 7 3    2016 4 3      C-13-H3C(O)CH3
  216248.6928  0.0064 -4.7505 3  185.3423244  59516140430 625 4    30 426 4      C-13-H3C(O)CH3
  216248.6928  0.0064 -4.7505 3  185.3423244  59516140430 525 4    30 526 4      C-13-H3C(O)CH3
  216248.7553  0.0056 -5.1432 3  185.3423244  59516140430 525 3    30 526 3      C-13-H3C(O)CH3
  216248.7553  0.0056 -4.9739 3  185.3423244  59516140430 525 3    30 426 3      C-13-H3C(O)CH3
  216248.7553  0.0056 -5.1432 3  185.3423244  59516140430 625 3    30 426 3      C-13-H3C(O)CH3
  216248.7553  0.0056 -4.9739 3  185.3423244  59516140430 625 3    30 526 3      C-13-H3C(O)CH3
  216250.0097  0.0067 -6.4122 3  269.7093260  595161404321517 3    311814 3      C-13-H3C(O)CH3
  216251.0193  0.0070 -6.4121 3  269.7093260  595161404321517 4    311814 4      C-13-H3C(O)CH3
  216262.4566  0.0151 -5.0051 3  668.5473760  595161404473810 1    473711 1      C-13-H3C(O)CH3
  216274.2837  0.0832 -5.4912 3 1034.0208968  595161404604219 1    604119 1      C-13-H3C(O)CH3
  216283.8990  0.6703 -6.5488 3 1381.5683564  595161404704625 4    704526 4      C-13-H3C(O)CH3
  216284.4075  0.0068 -6.1108 3  269.7318520  595161404321517 1    311814 1      C-13-H3C(O)CH3
  216286.1203  0.2145 -6.0861 3 1381.5042B28  595161404704625 0    704526 0      C-13-H3C(O)CH3
  216286.2618  0.3421 -6.2727 3 1458.8264B60  595161404724725 1    724626 1      C-13-H3C(O)CH3
  216287.9120  0.0195 -7.1010 3   95.9817148  5951614041815 4 3    1812 6 3      C-13-H3C(O)CH3
  216288.0868  0.3161 -6.2851 3 1458.8146B60  595161404724725 2    724626 2      C-13-H3C(O)CH3
  216293.3974  0.4540 -6.1635 3 1381.5310B28  595161404704625 2    704526 2      C-13-H3C(O)CH3
  216294.5189  0.0146 -5.0052 3  668.5519760  5951614044738 9 0    473710 0      C-13-H3C(O)CH3
  216294.5195  0.0146 -5.0052 3  668.5519760  595161404473810 0    473711 0      C-13-H3C(O)CH3
  216297.7317  0.0125 -5.3409 3  288.2530520  595161404322111 2    321814 2      C-13-H3C(O)CH3
  216301.6221  0.0039 -4.6765 3  204.0432504 -59516140431 725 0    31 526 0      C-13-H3C(O)CH3
  216301.6221  0.0039 -4.6765 3  204.0432504 -59516140431 625 0    31 626 0      C-13-H3C(O)CH3
  216301.6278  0.0039 -4.7524 3  204.0432504  59516140431 725 0    31 626 0      C-13-H3C(O)CH3
  216301.6278  0.0039 -4.7524 3  204.0432504  59516140431 625 0    31 526 0      C-13-H3C(O)CH3
  216308.8178  0.0701 -5.4906 3 1034.0260968  595161404604219 2    604119 2      C-13-H3C(O)CH3
  216311.4650  0.0160 -5.0051 3  668.5739760  5951614044738 9 1    473710 1      C-13-H3C(O)CH3
  216323.5653  0.0024 -6.1521 3   36.2271100  59516140412 8 5 4    11 7 5 4      C-13-H3C(O)CH3
  216337.6874  0.3413 -6.5354 3 1458.8478580  595161404724725 3    724626 3      C-13-H3C(O)CH3
  216338.8040  0.0154 -6.8493 3   95.9602296  5951614041815 4 2    1812 6 2      C-13-H3C(O)CH3
  216339.4597  0.3699 -6.1615 3 1381.5412B28  595161404704625 1    704526 1      C-13-H3C(O)CH3
  216342.7364  0.0068 -6.1079 3  269.7260520  595161404321517 2    311814 2      C-13-H3C(O)CH3
  216347.7946  0.0226 -7.0220 3  215.8466212  5951614042624 3 3    2525 1 3      C-13-H3C(O)CH3
  216353.4903  0.6579 -7.1413 3 1951.5318D52  595161404845134 1    845035 1      C-13-H3C(O)CH3
  216355.0070  0.0266 -5.5021 3  436.4185584  5951614043636 1 2    3635 2 2      C-13-H3C(O)CH3
  216376.7710  0.0061 -6.1076 3  269.7485520  595161404321517 0    311814 0      C-13-H3C(O)CH3
  216393.4787  0.5420 -7.0469 3 1902.8668D36  595161404835034 2    834935 2      C-13-H3C(O)CH3
  216396.7956  0.0331 -5.8027 3  436.3551292  5951614043636 1 4    3635 2 4      C-13-H3C(O)CH3
  216410.9761  0.0184 -6.1801 3  194.4197408  5951614042522 4 1    2423 2 1      C-13-H3C(O)CH3
  216413.6591  0.0265 -7.0207 3  215.8778212  5951614042624 2 4    2525 0 4      C-13-H3C(O)CH3
  216426.1743  0.0796 -5.4872 3 1033.9752968  595161404604218 0    604119 0      C-13-H3C(O)CH3
  216427.9607  0.0605 -5.7948 3 1034.0662484  595161404604218 3    604119 3      C-13-H3C(O)CH3
  216429.5188  0.6417 -7.0467 3 1902.8691D36  595161404835034 0    834935 0      C-13-H3C(O)CH3
  216448.0863  0.0081 -5.2858 3  124.8049344  5951614042115 6 2    2016 4 2      C-13-H3C(O)CH3
  216450.6948  0.0795 -5.4871 3 1033.9743968  595161404604219 0    604120 0      C-13-H3C(O)CH3
  216459.1761  0.0041 -4.5666 3  493.7898712  595161404441826 0    441727 0      C-13-H3C(O)CH3
  216459.1771  0.0041 -4.5666 3  493.7898712  595161404441926 0    441827 0      C-13-H3C(O)CH3
  216461.1921  0.0728 -5.7947 3 1034.0630484  595161404604219 3    604120 3      C-13-H3C(O)CH3
  216466.5782  0.2608 -6.3902 3 1381.5679564  595161404704625 3    704526 3      C-13-H3C(O)CH3
  216475.6731  0.0119 -5.7359 3  124.7541172  5951614042115 7 3    2016 5 3      C-13-H3C(O)CH3
  216477.3926  0.0182 -7.0419 3   95.9817148  5951614041815 3 3    1812 6 3      C-13-H3C(O)CH3
  216484.8057  0.0053 -7.0239 3  185.3212488  59516140430 625 2    30 426 2      C-13-H3C(O)CH3
  216484.8057  0.0053 -7.0239 3  185.3212488  59516140430 525 2    30 526 2      C-13-H3C(O)CH3
  216484.8068  0.0053 -4.4481 3  185.3212488 -59516140430 625 2    30 526 2      C-13-H3C(O)CH3
  216484.8068  0.0053 -4.4481 3  185.3212488 -59516140430 525 2    30 426 2      C-13-H3C(O)CH3
  216487.6853  0.0056 -4.5680 3  185.3218488 -59516140430 625 1    30 526 1      C-13-H3C(O)CH3
  216487.6853  0.0056 -4.5680 3  185.3218488 -59516140430 525 1    30 426 1      C-13-H3C(O)CH3
  216487.7202  0.0056 -5.0615 3  185.3218488  59516140430 625 1    30 426 1      C-13-H3C(O)CH3
  216487.7202  0.0056 -5.0615 3  185.3218488  59516140430 525 1    30 526 1      C-13-H3C(O)CH3
  216489.1763  0.0050 -4.5664 3  493.7629712  595161404441826 2    441727 2      C-13-H3C(O)CH3
  216489.1774  0.0050 -4.5664 3  493.7629712  595161404441926 2    441827 2      C-13-H3C(O)CH3
  216494.4123  0.0046 -4.5663 3  493.7644712  595161404441826 1    441727 1      C-13-H3C(O)CH3
  216494.4134  0.0046 -4.5663 3  493.7644712  595161404441926 1    441827 1      C-13-H3C(O)CH3
  216524.4782  0.0052 -4.8672 3  493.7374356  595161404441826 3    441727 3      C-13-H3C(O)CH3
  216524.4794  0.0052 -4.8672 3  493.7374356  595161404441926 3    441827 3      C-13-H3C(O)CH3
  216524.4868  0.0052 -4.8671 3  493.7374356  595161404441826 4    441727 4      C-13-H3C(O)CH3
  216524.4880  0.0052 -4.8671 3  493.7374356  595161404441926 4    441827 4      C-13-H3C(O)CH3
  216529.8032  0.4754 -6.6459 3 1458.8474580  595161404724725 4    724626 4      C-13-H3C(O)CH3
  216534.8765  0.0187 -7.1381 3  687.0049840  595161404522131 1    512428 1      C-13-H3C(O)CH3
  216534.9004  0.0187 -7.1381 3  687.0049840  595161404522231 1    512328 1      C-13-H3C(O)CH3
  216540.9066  0.0078 -5.2857 3  124.7443344  5951614042115 7 2    2016 5 2      C-13-H3C(O)CH3
  216541.6941  0.0303 -5.5158 3  853.4561436  595161404544014 4    543915 4      C-13-H3C(O)CH3
  216542.3393  0.0213 -7.1368 3  687.0041840  595161404522131 2    512428 2      C-13-H3C(O)CH3
  216542.3632  0.0213 -7.1368 3  687.0041840  595161404522231 2    512328 2      C-13-H3C(O)CH3
  216549.4645  0.0172 -6.1779 3  194.4683408  5951614042522 3 2    2423 1 2      C-13-H3C(O)CH3
  216559.9446  0.0794 -5.4903 3 1034.0148968  595161404604218 1    604120 1      C-13-H3C(O)CH3
  216560.3094  0.0023 -6.3699 3   36.1788200  59516140412 8 5 1    11 7 5 1      C-13-H3C(O)CH3
  216563.2667  0.0239 -5.5019 3  436.4846584  5951614043636 1 0    3635 1 0      C-13-H3C(O)CH3
  216563.2667  0.0239 -5.5019 3  436.4846584  5951614043636 0 0    3635 2 0      C-13-H3C(O)CH3
  216565.4683  0.0066 -7.0484 3  167.2133236  59516140429 425 3    29 426 3      C-13-H3C(O)CH3
  216565.4683  0.0066 -4.8049 3  167.2133236  59516140429 425 3    29 326 3      C-13-H3C(O)CH3
  216565.4683  0.0066 -7.0484 3  167.2133236  59516140429 525 3    29 326 3      C-13-H3C(O)CH3
  216565.4683  0.0066 -4.8049 3  167.2133236  59516140429 525 3    29 426 3      C-13-H3C(O)CH3
  216565.5056  0.0074 -4.9405 3  167.2134236  59516140429 425 4    29 426 4      C-13-H3C(O)CH3
  216565.5056  0.0074 -4.9405 3  167.2134236  59516140429 525 4    29 326 4      C-13-H3C(O)CH3
  216565.5056  0.0074 -5.3673 3  167.2134236  59516140429 425 4    29 326 4      C-13-H3C(O)CH3
  216565.5056  0.0074 -5.3673 3  167.2134236  59516140429 525 4    29 426 4      C-13-H3C(O)CH3
  216579.4179  0.0025 -6.4854 3   36.1783200  59516140412 8 5 2    11 7 5 2      C-13-H3C(O)CH3
  216581.4699  0.0146 -7.1381 3  687.0141840  595161404522131 0    512428 0      C-13-H3C(O)CH3
  216581.4909  0.0146 -7.1381 3  687.0141840  595161404522231 0    512328 0      C-13-H3C(O)CH3
  216589.1651  0.5796 -7.0463 3 1902.8655D36  595161404835034 1    834935 1      C-13-H3C(O)CH3
  216603.6447  0.0184 -6.1783 3  194.4495408  5951614042522 3 1    2423 1 1      C-13-H3C(O)CH3
  216604.2592  0.0283 -5.5015 3  436.4211584  5951614043636 1 1    3635 2 1      C-13-H3C(O)CH3
  216607.0292  0.0028 -7.2531 3   75.4765140  59516140417 9 8 4    1610 6 4      C-13-H3C(O)CH3
  216612.6013  0.0189 -6.1785 3  194.4243408  5951614042522 4 2    2423 2 2      C-13-H3C(O)CH3
  216623.1462  0.0747 -5.4897 3 1034.0170968  595161404604218 2    604120 2      C-13-H3C(O)CH3
  216647.3674  0.0120 -5.5565 3  124.8225172  5951614042115 6 4    2016 4 4      C-13-H3C(O)CH3
  216656.0533  0.0258 -5.2144 3  853.4178872  595161404544014 2    543915 2      C-13-H3C(O)CH3
  216662.6838  0.0318 -5.8022 3  436.4201292  5951614043636 0 3    3635 1 3      C-13-H3C(O)CH3
  216663.5748  0.0078 -5.2745 3  124.7311344  5951614042115 7 1    2016 5 1      C-13-H3C(O)CH3
  216670.6204  0.0086 -5.2734 3  124.7993344  5951614042115 6 1    2016 4 1      C-13-H3C(O)CH3
  216678.9491  0.0261 -5.5156 3  853.4442436  595161404544015 3    543916 3      C-13-H3C(O)CH3
  216702.7180  0.2482 -6.8825 3 1381.5412B28  595161404704624 1    704526 1      C-13-H3C(O)CH3
  216712.1049  0.0266 -5.2142 3  853.4068872  595161404544014 1    543915 1      C-13-H3C(O)CH3
  216714.0822  0.0272 -5.5013 3  436.4613584  5951614043636 0 2    3635 1 2      C-13-H3C(O)CH3
  216714.6982  0.0190 -5.2833 3  554.8401340  5951614044237 6 4    4236 7 4      C-13-H3C(O)CH3
  216717.4083  0.0069 -4.3823 3   37.7604200 -59516140412 9 4 1    11 8 3 1      C-13-H3C(O)CH3
  216723.2753  0.0049 -5.7292 3  185.3008488  59516140430 625 0    30 426 0      C-13-H3C(O)CH3
  216723.2753  0.0049 -5.7292 3  185.3008488  59516140430 525 0    30 526 0      C-13-H3C(O)CH3
  216723.3077  0.0049 -4.4690 3  185.3008488 -59516140430 525 0    30 426 0      C-13-H3C(O)CH3
  216723.3077  0.0049 -4.4690 3  185.3008488 -59516140430 625 0    30 526 0      C-13-H3C(O)CH3
  216725.7845  1.1836 -7.0185 3 1876.6781D20  595161404825230 2    825131 2      C-13-H3C(O)CH3
  216726.1770  0.3028 -6.8727 3 1381.5310B28  595161404704624 2    704526 2      C-13-H3C(O)CH3
  216735.0207  0.0141 -4.9825 3  554.8722680  5951614044237 6 2    4236 7 2      C-13-H3C(O)CH3
  216742.3710  0.0772 -5.7882 3 1034.0572484  595161404604218 4    604120 4      C-13-H3C(O)CH3
  216754.4870  0.0320 -5.8019 3  436.3978292  5951614043636 1 3    3635 2 3      C-13-H3C(O)CH3
  216757.6334  0.0081 -5.2471 3  124.7814344  5951614042115 6 0    2016 5 0      C-13-H3C(O)CH3
  216766.7626  0.0423 -5.6433 3  941.4250460  595161404574116 4    574017 4      C-13-H3C(O)CH3
  216772.8982  0.0187 -6.4785 3  194.3892204  5951614042522 3 3    2423 1 3      C-13-H3C(O)CH3
  216773.5965  0.9912 -7.0145 3 1876.6809D20  595161404825230 0    825131 0      C-13-H3C(O)CH3
  216781.6662  0.0157 -6.3995 3  208.0547440  5951614042719 9 2    271611 2      C-13-H3C(O)CH3
  216787.5074  0.0251 -5.5154 3  853.4445436  595161404544014 3    543915 3      C-13-H3C(O)CH3
  216825.8462  0.0267 -5.2139 3  853.3684872  595161404544014 0    543915 0      C-13-H3C(O)CH3
  216826.3030  0.0267 -5.2139 3  853.3684872  595161404544015 0    543916 0      C-13-H3C(O)CH3
  216835.6700  0.0189 -6.4791 3  194.3453204  5951614042522 4 4    2423 2 4      C-13-H3C(O)CH3
  216838.5458  0.0069 -6.8657 3  167.1816472  59516140429 525 2    29 426 2      C-13-H3C(O)CH3
  216838.5458  0.0069 -4.5017 3  167.1816472  59516140429 425 2    29 426 2      C-13-H3C(O)CH3
  216838.5458  0.0069 -6.8657 3  167.1816472  59516140429 425 2    29 326 2      C-13-H3C(O)CH3
  216838.5458  0.0069 -4.5017 3  167.1816472  59516140429 525 2    29 326 2      C-13-H3C(O)CH3
  216840.8244  0.0073 -6.7617 3  167.1822472  59516140429 425 1    29 426 1      C-13-H3C(O)CH3
  216840.8244  0.0073 -4.5024 3  167.1822472  59516140429 525 1    29 426 1      C-13-H3C(O)CH3
  216840.8244  0.0073 -6.7617 3  167.1822472  59516140429 525 1    29 326 1      C-13-H3C(O)CH3
  216840.8244  0.0073 -4.5024 3  167.1822472  59516140429 425 1    29 326 1      C-13-H3C(O)CH3
  216841.5502  0.0175 -5.2830 3  554.8632340  5951614044237 6 3    4236 7 3      C-13-H3C(O)CH3
  216848.7593  0.0288 -5.2138 3  853.3948872  595161404544015 1    543916 1      C-13-H3C(O)CH3
  216848.9478  0.0078 -5.1231 3  149.6798228  59516140428 325 3    28 226 3      C-13-H3C(O)CH3
  216848.9478  0.0078 -5.2586 3  149.6798228  59516140428 325 3    28 326 3      C-13-H3C(O)CH3
  216848.9478  0.0078 -5.1231 3  149.6798228  59516140428 425 3    28 326 3      C-13-H3C(O)CH3
  216848.9478  0.0078 -5.2586 3  149.6798228  59516140428 425 3    28 226 3      C-13-H3C(O)CH3
  216849.1161  0.0087 -5.7089 3  149.6798228  59516140428 425 4    28 326 4      C-13-H3C(O)CH3
  216849.1161  0.0087 -4.9550 3  149.6798228  59516140428 425 4    28 226 4      C-13-H3C(O)CH3
  216849.1161  0.0087 -4.9550 3  149.6798228  59516140428 325 4    28 326 4      C-13-H3C(O)CH3
  216849.1161  0.0087 -5.7089 3  149.6798228  59516140428 325 4    28 226 4      C-13-H3C(O)CH3
  216863.3859  0.0134 -4.9822 3  554.8953680  5951614044237 5 2    4236 6 2      C-13-H3C(O)CH3
  216865.8946  0.0179 -5.9700 3  208.0572220  5951614042719 8 3    271611 3      C-13-H3C(O)CH3
  216872.3586  0.0270 -5.5010 3  436.4862584  5951614043636 0 1    3635 1 1      C-13-H3C(O)CH3
  216876.9378  0.0106 -6.2781 3  114.5776328  5951614042015 6 1    2012 9 1      C-13-H3C(O)CH3
  216878.8208  0.0152 -4.9821 3  554.8592680  5951614044237 6 1    4236 7 1      C-13-H3C(O)CH3
  216882.3239  0.0167 -5.2830 3  554.8826340  5951614044237 5 3    4236 6 3      C-13-H3C(O)CH3
  216900.3225  0.0133 -4.9823 3  554.8912680  5951614044237 5 0    4236 6 0      C-13-H3C(O)CH3
  216900.3225  0.0133 -4.9823 3  554.8912680  5951614044237 6 0    4236 7 0      C-13-H3C(O)CH3
  216901.1111  0.0258 -5.2137 3  853.4061872  595161404544015 2    543916 2      C-13-H3C(O)CH3
  216904.5241  0.0076 -4.3457 3   37.7588200 -59516140412 9 4 2    11 8 3 2      C-13-H3C(O)CH3
  216914.6921  0.0423 -5.3418 3  941.3819920  595161404574116 2    574017 2      C-13-H3C(O)CH3
  216918.1527  0.3889 -6.8934 3 1381.5683564  595161404704624 4    704526 4      C-13-H3C(O)CH3
  216923.7299  0.0275 -5.5146 3  853.4325436  595161404544015 4    543916 4      C-13-H3C(O)CH3
  216924.3455  0.0477 -5.3417 3  941.3728920  595161404574116 1    574017 1      C-13-H3C(O)CH3
  216924.6139  0.0074 -6.6439 3   14.6135136  595161404 8 7 2 1     7 4 4 1      C-13-H3C(O)CH3
  216966.2495  0.0212 -6.4768 3  194.4190204  5951614042522 3 4    2423 1 4      C-13-H3C(O)CH3
  216976.3977  0.2016 -6.1710 3 1201.2764524  595161404654422 4    654322 4      C-13-H3C(O)CH3
  216979.1791  0.0371 -5.6436 3  941.4171460  595161404574117 3    574017 3      C-13-H3C(O)CH3
  217010.2006  0.0161 -5.2827 3  554.9055340  5951614044237 5 4    4236 6 4      C-13-H3C(O)CH3
  217023.5083  0.0335 -5.8014 3  436.4628292  5951614043636 0 4    3635 1 4      C-13-H3C(O)CH3
  217027.5068  0.9834 -7.0138 3 1876.6913D20  595161404825230 1    825131 1      C-13-H3C(O)CH3
  217028.2680  0.0180 -6.4774 3  194.3751204  5951614042522 4 3    2423 2 3      C-13-H3C(O)CH3
  217034.6619  0.2098 -5.9605 3 1201.2358A48  595161404654422 1    654322 1      C-13-H3C(O)CH3
  217048.0826  0.0133 -4.9818 3  554.9016680  5951614044237 5 1    4236 6 1      C-13-H3C(O)CH3
  217056.6721  0.0392 -5.6434 3  941.4148460  595161404574116 3    574018 3      C-13-H3C(O)CH3
  217066.6649  0.0034 -5.8350 3   14.8707 76  595161404 9 3 6 3     8 2 7 3      C-13-H3C(O)CH3
  217068.0485  0.0043 -5.8350 3   14.8707 76  595161404 9 3 6 4     8 2 7 4      C-13-H3C(O)CH3
  217070.2462  0.0484 -5.3412 3  941.3298920  595161404574116 0    574017 0      C-13-H3C(O)CH3
  217071.1288  0.0152 -5.7062 3  109.6204164  5951614042013 8 4    1914 5 4      C-13-H3C(O)CH3
  217073.8880  0.0484 -5.3412 3  941.3297920  595161404574117 0    574018 0      C-13-H3C(O)CH3
  217098.4027  0.0090 -6.6539 3   14.6129136  595161404 8 7 2 2     7 4 4 2      C-13-H3C(O)CH3
  217101.5949  0.0092 -5.0305 3  132.7425220  59516140427 225 3    27 226 3      C-13-H3C(O)CH3
  217101.5949  0.0092 -6.5894 3  132.7425220  59516140427 225 3    27 126 3      C-13-H3C(O)CH3
  217101.5949  0.0092 -5.0305 3  132.7425220  59516140427 325 3    27 126 3      C-13-H3C(O)CH3
  217101.5949  0.0092 -6.5894 3  132.7425220  59516140427 325 3    27 226 3      C-13-H3C(O)CH3
  217101.9291  0.0101 -6.2580 3  132.7425220  59516140427 325 4    27 126 4      C-13-H3C(O)CH3
  217101.9291  0.0101 -6.2580 3  132.7425220  59516140427 225 4    27 226 4      C-13-H3C(O)CH3
  217101.9291  0.0101 -5.0445 3  132.7425220  59516140427 225 4    27 126 4      C-13-H3C(O)CH3
  217101.9291  0.0101 -5.0445 3  132.7425220  59516140427 325 4    27 226 4      C-13-H3C(O)CH3
  217105.3688  0.0099 -5.5557 3  124.6935172  5951614042115 7 4    2016 5 4      C-13-H3C(O)CH3
  217111.6028  0.2192 -5.9847 3 1201.2318A48  595161404654422 2    654322 2      C-13-H3C(O)CH3
  217113.3056  0.0065 -5.0221 3  167.1505472  59516140429 525 0    29 426 0      C-13-H3C(O)CH3
  217113.3056  0.0065 -4.6531 3  167.1505472  59516140429 525 0    29 326 0      C-13-H3C(O)CH3
  217113.3056  0.0065 -5.0221 3  167.1505472  59516140429 425 0    29 326 0      C-13-H3C(O)CH3
  217113.3056  0.0065 -4.6531 3  167.1505472  59516140429 425 0    29 426 0      C-13-H3C(O)CH3
  217128.9816  0.3607 -6.3733 3 1538.1385B92  595161404744826 0    744727 0      C-13-H3C(O)CH3
  217136.5694  0.0500 -5.3410 3  941.3649920  595161404574117 1    574018 1      C-13-H3C(O)CH3
  217161.0177  0.0091 -5.6023 3  149.6363456  59516140428 325 2    28 226 2      C-13-H3C(O)CH3
  217161.0177  0.0091 -4.6253 3  149.6363456  59516140428 325 2    28 326 2      C-13-H3C(O)CH3
  217161.0177  0.0091 -4.6253 3  149.6363456  59516140428 425 2    28 226 2      C-13-H3C(O)CH3
  217161.0177  0.0091 -5.6023 3  149.6363456  59516140428 425 2    28 326 2      C-13-H3C(O)CH3
  217162.6128  0.0095 -4.6502 3  149.6368456  59516140428 425 1    28 226 1      C-13-H3C(O)CH3
  217162.6128  0.0095 -5.4190 3  149.6368456  59516140428 325 1    28 226 1      C-13-H3C(O)CH3
  217162.6128  0.0095 -5.2820 3  149.6368456  59516140428 425 1    28 326 1      C-13-H3C(O)CH3
  217162.6128  0.0095 -4.6786 3  149.6368456  59516140428 325 1    28 326 1      C-13-H3C(O)CH3
  217171.1840  0.1445 -5.7663 3 1201.1918A48  595161404654421 0    654322 0      C-13-H3C(O)CH3
  217177.4317  0.0033 -4.4570 3   37.8004100 -59516140412 9 4 3    11 8 3 3      C-13-H3C(O)CH3
  217204.1278  0.0437 -5.3409 3  941.3718920  595161404574117 2    574018 2      C-13-H3C(O)CH3
  217209.6870  0.0042 -5.8347 3   14.8707 76  595161404 9 4 6 4     8 1 7 4      C-13-H3C(O)CH3
  217210.2867  0.0033 -5.8347 3   14.8707 76  595161404 9 4 6 3     8 1 7 3      C-13-H3C(O)CH3
  217215.5261  0.2485 -6.6209 3 1201.2751524  595161404654422 3    654322 3      C-13-H3C(O)CH3
  217237.1169  0.0065 -4.5617 3   66.9804264 -59516140416 9 7 0    1510 6 0      C-13-H3C(O)CH3
  217249.6636  0.0334 -7.1413 3  360.7292584  595161404362214 2    352511 2      C-13-H3C(O)CH3
  217265.6363  0.0157 -5.7560 3  208.0697440  5951614042719 8 1    271611 1      C-13-H3C(O)CH3
  217268.0901  0.0447 -5.6418 3  941.4069460  595161404574117 4    574018 4      C-13-H3C(O)CH3
  217276.0388  0.3757 -6.4108 3 1538.1543B92  595161404744826 2    744727 2      C-13-H3C(O)CH3
  217282.1632  0.3159 -6.2096 3 1201.2751524  595161404654421 3    654322 3      C-13-H3C(O)CH3
  217283.6565  0.0044 -5.5324 3   14.8005152  595161404 9 3 6 2     8 2 7 2      C-13-H3C(O)CH3
  217284.9745  0.0118 -5.7313 3  124.7618172  5951614042115 6 3    2016 4 3      C-13-H3C(O)CH3
  217290.6234  0.0121 -6.4436 3  114.5903164  5951614042015 6 3    2012 9 3      C-13-H3C(O)CH3
  217292.1612  0.5735 -6.7424 3 1201.2659524  595161404654422 4    654323 4      C-13-H3C(O)CH3
  217293.2978  0.0043 -5.5326 3   14.8010152  595161404 9 3 6 1     8 2 7 1      C-13-H3C(O)CH3
  217301.2402  0.2747 -6.2099 3 1201.2358A48  595161404654421 1    654322 1      C-13-H3C(O)CH3
  217304.4911  0.3277 -6.2096 3 1201.2268A48  595161404654422 1    654323 1      C-13-H3C(O)CH3
  217305.6354  0.3829 -6.3944 3 1538.1675B92  595161404744826 1    744727 1      C-13-H3C(O)CH3
  217312.9200  0.0104 -6.2762 3  114.5745328  5951614042015 6 2    2012 9 2      C-13-H3C(O)CH3
  217321.6916  0.2817 -6.1694 3 1201.2318A48  595161404654421 2    654322 2      C-13-H3C(O)CH3
  217325.6902  0.0109 -5.5123 3  116.4025212  59516140426 225 3    26 126 3      C-13-H3C(O)CH3
  217325.6902  0.0109 -5.6597 3  116.4025212  59516140426 225 3    26 026 3      C-13-H3C(O)CH3
  217325.6902  0.0109 -5.5123 3  116.4025212  59516140426 125 3    26 026 3      C-13-H3C(O)CH3
  217325.6902  0.0109 -5.6597 3  116.4025212  59516140426 125 3    26 126 3      C-13-H3C(O)CH3
  217326.2282  0.0118 -6.5141 3  116.4025212  59516140426 225 4    26 026 4      C-13-H3C(O)CH3
  217326.2282  0.0118 -5.3047 3  116.4025212  59516140426 125 4    26 026 4      C-13-H3C(O)CH3
  217326.2282  0.0118 -5.3047 3  116.4025212  59516140426 225 4    26 126 4      C-13-H3C(O)CH3
  217326.2282  0.0118 -6.5141 3  116.4025212  59516140426 125 4    26 126 4      C-13-H3C(O)CH3
  217351.7641  0.0071 -4.5616 3   67.0096264 -59516140416 9 7 2    1510 6 2      C-13-H3C(O)CH3
  217353.7235  0.4369 -6.6795 3 1538.1835596  595161404744826 3    744727 3      C-13-H3C(O)CH3
  217377.5748  0.3767 -6.1690 3 1201.2229A48  595161404654422 2    654323 2      C-13-H3C(O)CH3
  217390.4283  0.1426 -5.7654 3 1201.1834A48  595161404654422 0    654323 0      C-13-H3C(O)CH3
  217406.9004  0.0617 -5.7443 3 1043.8410500  595161404623329 3    623230 3      C-13-H3C(O)CH3
  217406.9635  0.0618 -5.7443 3 1043.8410500  595161404623329 4    623230 4      C-13-H3C(O)CH3
  217420.0649  0.0146 -5.8117 3  174.3219392  5951614042420 5 0    2321 2 0      C-13-H3C(O)CH3
  217420.2838  0.0146 -5.8117 3  174.3219392  5951614042420 4 0    2321 3 0      C-13-H3C(O)CH3
  217431.3369  0.0043 -5.5321 3   14.8005152  595161404 9 4 6 2     8 1 7 2      C-13-H3C(O)CH3
  217438.4740  0.0042 -5.5323 3   14.8010152  595161404 9 4 6 1     8 1 7 1      C-13-H3C(O)CH3
  217439.3331  0.0503 -5.4432 3 1043.8276A00  595161404623329 1    623230 1      C-13-H3C(O)CH3
  217446.6834  0.0611 -5.4431 3 1043.8294A00  595161404623329 2    623230 2      C-13-H3C(O)CH3
  217447.6085  0.0215 -6.1056 3  208.0575220  5951614042719 8 4    271611 4      C-13-H3C(O)CH3
  217450.1217  0.4514 -6.7424 3 1201.2764524  595161404654421 4    654322 4      C-13-H3C(O)CH3
  217454.4603  0.0118 -4.9109 3  132.6862440  59516140427 325 2    27 126 2      C-13-H3C(O)CH3
  217454.4603  0.0118 -5.1569 3  132.6862440  59516140427 325 2    27 226 2      C-13-H3C(O)CH3
  217454.4603  0.0118 -4.9109 3  132.6862440  59516140427 225 2    27 226 2      C-13-H3C(O)CH3
  217454.4603  0.0118 -5.1569 3  132.6862440  59516140427 225 2    27 126 2      C-13-H3C(O)CH3
  217455.3293  0.0122 -5.5456 3  132.6866440  59516140427 325 1    27 226 1      C-13-H3C(O)CH3
  217455.3293  0.0122 -5.5456 3  132.6866440  59516140427 225 1    27 126 1      C-13-H3C(O)CH3
  217455.3293  0.0122 -4.7855 3  132.6866440  59516140427 225 1    27 226 1      C-13-H3C(O)CH3
  217455.3293  0.0122 -4.7855 3  132.6866440  59516140427 325 1    27 126 1      C-13-H3C(O)CH3
  217460.6285  0.2675 -6.2089 3 1201.2669524  595161404654422 3    654323 3      C-13-H3C(O)CH3
  217473.9057  0.0086 -4.5802 3  149.5934456 -59516140428 425 0    28 226 0      C-13-H3C(O)CH3
  217473.9728  0.0086 -4.5802 3  149.5934456  59516140428 325 0    28 326 0      C-13-H3C(O)CH3
  217478.0249  0.0038 -4.5313 3  467.4333696  595161404431726 0    431627 0      C-13-H3C(O)CH3
  217478.0251  0.0038 -4.5313 3  467.4333696  595161404431826 0    431727 0      C-13-H3C(O)CH3
  217478.8339  0.0496 -5.4431 3 1043.8159A00  595161404623329 0    623230 0      C-13-H3C(O)CH3
  217501.6855  0.0046 -4.5311 3  467.4050696  595161404431726 2    431627 2      C-13-H3C(O)CH3
  217501.6858  0.0046 -4.5311 3  467.4050696  595161404431826 2    431727 2      C-13-H3C(O)CH3
  217506.9979  0.0043 -4.5311 3  467.4064696  595161404431726 1    431627 1      C-13-H3C(O)CH3
  217506.9982  0.0043 -4.5311 3  467.4064696  595161404431826 1    431727 1      C-13-H3C(O)CH3
  217509.2508  0.0045 -5.5311 3   14.7310152  595161404 9 3 6 0     8 2 7 0      C-13-H3C(O)CH3
  217512.2477  0.6815 -6.7483 3 1741.9074C72  595161404795030 2    794931 2      C-13-H3C(O)CH3
  217515.2479  0.0187 -6.0005 3  124.7541172  5951614042115 6 3    2016 5 3      C-13-H3C(O)CH3
  217526.8744  0.5157 -6.7535 3 1538.1831596  595161404744826 4    744727 4      C-13-H3C(O)CH3
  217527.2655  0.2910 -6.6198 3 1201.2669524  595161404654421 3    654323 3      C-13-H3C(O)CH3
  217529.8025  0.0586 -5.7438 3 1043.8416500  595161404623429 4    623330 4      C-13-H3C(O)CH3
  217529.9132  0.0584 -5.7438 3 1043.8416500  595161404623429 3    623330 3      C-13-H3C(O)CH3
  217530.6943  0.0048 -4.8319 3  467.3781348  595161404431726 4    431627 4      C-13-H3C(O)CH3
  217530.6946  0.0048 -4.8319 3  467.3781348  595161404431826 4    431727 4      C-13-H3C(O)CH3
  217530.7144  0.0048 -4.8319 3  467.3781348  595161404431726 3    431627 3      C-13-H3C(O)CH3
  217530.7148  0.0048 -4.8319 3  467.3781348  595161404431826 3    431727 3      C-13-H3C(O)CH3
  217533.3731  0.4483 -6.7465 3 1741.9047C72  595161404795030 0    794931 0      C-13-H3C(O)CH3
  217542.3473  0.0065 -4.8554 3   67.0428132 -59516140416 9 7 3    1510 6 3      C-13-H3C(O)CH3
  217556.4032  0.0501 -5.4427 3 1043.8281A00  595161404623429 1    623330 1      C-13-H3C(O)CH3
  217558.8899  0.0235 -6.8949 3  360.7515584  595161404362214 0    352511 0      C-13-H3C(O)CH3
  217561.3990  0.0576 -5.4427 3 1043.8299A00  595161404623429 2    623330 2      C-13-H3C(O)CH3
  217566.8406  0.0068 -4.5593 3   67.0094264 -59516140416 9 7 1    1510 6 1      C-13-H3C(O)CH3
  217571.0694  0.1629 -5.9588 3 1201.2268A48  595161404654421 1    654323 1      C-13-H3C(O)CH3
  217586.9205  0.2015 -6.2849 3 1341.7944564  595161404703931 3    703832 3      C-13-H3C(O)CH3
  217587.0109  0.2010 -6.2849 3 1341.7945564  595161404703931 4    703832 4      C-13-H3C(O)CH3
  217587.6636  0.1495 -5.9832 3 1201.2229A48  595161404654421 2    654323 2      C-13-H3C(O)CH3
  217587.9788  0.0492 -5.4427 3 1043.8164A00  595161404623429 0    623330 0      C-13-H3C(O)CH3
  217616.3597  0.0077 -4.8423 3  687.0141824  595161404512427 0    512328 0      C-13-H3C(O)CH3
  217616.6126  0.0077 -4.8423 3  687.0141824  595161404512527 0    512428 0      C-13-H3C(O)CH3
  217640.1802  0.0216 -5.1477 3  873.8431920  595161404572928 0    572829 0      C-13-H3C(O)CH3
  217640.3061  0.0229 -5.1476 3  873.8482920  595161404572928 1    572829 1      C-13-H3C(O)CH3
  217641.0083  0.0291 -5.1476 3  873.8487920  595161404572928 2    572829 2      C-13-H3C(O)CH3
  217641.0979  0.0299 -5.4485 3  873.8538460  595161404572928 3    572829 3      C-13-H3C(O)CH3
  217641.1714  0.0300 -5.4485 3  873.8539460  595161404572928 4    572829 4      C-13-H3C(O)CH3
  217645.2893  0.0155 -6.7626 3  104.9263156  5951614041915 5 4    1912 8 4      C-13-H3C(O)CH3
  217646.0364  0.7574 -6.8439 3 1788.8694C88  595161404805129 0    805030 0      C-13-H3C(O)CH3
  217649.2252  0.0117 -4.8421 3  687.0041824  595161404512427 2    512328 2      C-13-H3C(O)CH3
  217649.5057  0.0117 -4.8421 3  687.0041824  595161404512527 2    512428 2      C-13-H3C(O)CH3
  217650.3940  0.0216 -5.1476 3  873.8431920  595161404573028 0    572929 0      C-13-H3C(O)CH3
  217651.3003  0.8576 -7.2332 3 2000.7329D68  595161404855234 2    855135 2      C-13-H3C(O)CH3
  217651.4150  0.0229 -5.1475 3  873.8483920  595161404573028 1    572929 1      C-13-H3C(O)CH3
  217651.9913  0.0288 -5.1475 3  873.8487920  595161404573028 2    572929 2      C-13-H3C(O)CH3
  217652.1039  0.0086 -4.8421 3  687.0049824  595161404512427 1    512328 1      C-13-H3C(O)CH3
  217652.3828  0.0086 -4.8421 3  687.0049824  595161404512527 1    512428 1      C-13-H3C(O)CH3
  217653.0420  0.0297 -5.4485 3  873.8539460  595161404573028 3    572929 3      C-13-H3C(O)CH3
  217653.0803  0.0298 -5.4485 3  873.8539460  595161404573028 4    572929 4      C-13-H3C(O)CH3
  217656.1849  0.1634 -5.9836 3 1341.7805B28  595161404703931 1    703832 1      C-13-H3C(O)CH3
  217658.4445  0.0056 -6.6491 3   14.6790 68  595161404 8 7 1 3     7 4 4 3      C-13-H3C(O)CH3
  217659.1067  0.8610 -6.8513 3 1788.8703C88  595161404805129 2    805030 2      C-13-H3C(O)CH3
  217659.4769  0.0045 -5.5307 3   14.7309152  595161404 9 4 6 0     8 1 7 0      C-13-H3C(O)CH3
  217674.6494  0.0117 -6.9972 3  114.5903164  5951614042015 5 3    2012 9 3      C-13-H3C(O)CH3
  217674.8576  0.0134 -5.6282 3  208.0672440  5951614042719 8 0    271611 0      C-13-H3C(O)CH3
  217680.9846  0.0130 -5.8096 3  174.3087392  5951614042420 4 2    2321 2 2      C-13-H3C(O)CH3
  217683.6417  0.0029 -4.1469 3   37.7060200 -59516140412 9 4 0    11 8 3 0      C-13-H3C(O)CH3
  217685.0321  0.0121 -5.1429 3  686.9948412  595161404512427 3    512328 3      C-13-H3C(O)CH3
  217685.1318  0.0123 -5.1429 3  686.9948412  595161404512427 4    512328 4      C-13-H3C(O)CH3
  217685.3415  0.0121 -5.1429 3  686.9948412  595161404512527 3    512428 3      C-13-H3C(O)CH3
  217685.4394  0.0123 -5.1429 3  686.9948412  595161404512527 4    512428 4      C-13-H3C(O)CH3
  217703.3302  0.7103 -7.0492 3 1741.9245636  595161404795030 4    794931 4      C-13-H3C(O)CH3
  217704.2081  0.2065 -5.9835 3 1341.7849B28  595161404703931 2    703832 2      C-13-H3C(O)CH3
  217705.0048  0.0153 -5.7096 3  208.0547440  5951614042719 8 2    271611 2      C-13-H3C(O)CH3
  217707.3028  0.6354 -7.0486 3 1741.9241636  595161404795030 3    794931 3      C-13-H3C(O)CH3
  217720.9719  0.0151 -5.3427 3  116.3323424  59516140426 225 2    26 126 2      C-13-H3C(O)CH3
  217720.9719  0.0151 -5.3427 3  116.3323424  59516140426 125 2    26 026 2      C-13-H3C(O)CH3
  217720.9719  0.0151 -5.2191 3  116.3323424  59516140426 125 2    26 126 2      C-13-H3C(O)CH3
  217720.9719  0.0151 -5.2191 3  116.3323424  59516140426 225 2    26 026 2      C-13-H3C(O)CH3
  217721.0780  0.0155 -5.0856 3  116.3328424  59516140426 225 1    26 126 1      C-13-H3C(O)CH3
  217721.0780  0.0155 -5.6261 3  116.3328424  59516140426 225 1    26 026 1      C-13-H3C(O)CH3
  217721.0780  0.0155 -5.0856 3  116.3328424  59516140426 125 1    26 026 1      C-13-H3C(O)CH3
  217721.0780  0.0155 -5.6261 3  116.3328424  59516140426 125 1    26 126 1      C-13-H3C(O)CH3
  217726.3616  0.4647 -6.7460 3 1741.9217C72  595161404795030 1    794931 1      C-13-H3C(O)CH3
  217730.1266  0.8088 -7.2329 3 2000.7391D68  595161404855234 0    855135 0      C-13-H3C(O)CH3
  217733.7116  0.0142 -5.8107 3  174.2457392  5951614042420 5 1    2321 3 1      C-13-H3C(O)CH3
  217760.2901  0.4551 -6.5235 3 1619.5991C24  595161404764927 0    764828 0      C-13-H3C(O)CH3
  217765.8852  0.1445 -6.1686 3 1201.2659524  595161404654421 4    654323 4      C-13-H3C(O)CH3
  217772.6902  0.1653 -5.9832 3 1341.7711B28  595161404703931 0    703832 0      C-13-H3C(O)CH3
  217807.3574  0.0113 -4.8883 3  132.6304440  59516140427 225 0    27 126 0      C-13-H3C(O)CH3
  217807.3574  0.0113 -5.1945 3  132.6304440  59516140427 325 0    27 126 0      C-13-H3C(O)CH3
  217807.3574  0.0113 -4.8883 3  132.6304440  59516140427 325 0    27 226 0      C-13-H3C(O)CH3
  217807.3574  0.0113 -5.1945 3  132.6304440  59516140427 225 0    27 226 0      C-13-H3C(O)CH3
  217814.4302  0.0142 -7.1710 3   68.9074248  5951614041514 2 1    1511 5 1      C-13-H3C(O)CH3
  217815.3877  0.0140 -5.8095 3  174.2915392  5951614042420 4 1    2321 2 1      C-13-H3C(O)CH3
  217818.9521  0.0084 -4.8642 3   67.0349132 -59516140416 9 7 4    1510 6 4      C-13-H3C(O)CH3
  217847.2487  0.0146 -7.1775 3   68.9892248  5951614041514 1 1    1511 4 1      C-13-H3C(O)CH3
  217852.0158  0.0111 -6.1771 3  192.4556220  595161404271414 4    261511 4      C-13-H3C(O)CH3
  217854.0859  0.0144 -5.8095 3  174.2562392  5951614042420 5 2    2321 3 2      C-13-H3C(O)CH3
  217858.6953  0.9345 -7.1476 3 1788.8857644  595161404805129 3    805030 3      C-13-H3C(O)CH3
  217868.7210  0.0099 -6.1771 3  192.4550220  595161404271414 3    261511 3      C-13-H3C(O)CH3
  217872.0409  0.4715 -6.5468 3 1619.6096C24  595161404764927 2    764828 2      C-13-H3C(O)CH3
  217872.9222  0.7477 -6.8441 3 1788.8845C88  595161404805129 1    805030 1      C-13-H3C(O)CH3
  217881.8251  0.0100 -5.3166 3  109.5868328  5951614042013 8 1    1914 5 1      C-13-H3C(O)CH3
  217885.2647  0.0097 -5.2907 3  109.5860328  5951614042013 8 2    1914 5 2      C-13-H3C(O)CH3
  217907.2371  0.0262 -6.9291 3  360.7230584  595161404362214 1    352511 1      C-13-H3C(O)CH3
  217914.6319  0.8116 -7.1573 3 1788.8851644  595161404805129 4    805030 4      C-13-H3C(O)CH3
  217935.3888  0.0084 -5.8752 3  192.4644440  595161404271414 1    261511 1      C-13-H3C(O)CH3
  217943.9244  0.7284 -7.2323 3 2000.7379D68  595161404855234 1    855135 1      C-13-H3C(O)CH3
  217948.1830  0.4547 -6.5321 3 1619.6237C24  595161404764927 1    764828 1      C-13-H3C(O)CH3
  217953.7763  0.5833 -6.6803 3 1703.1758C56  595161404785028 0    784929 0      C-13-H3C(O)CH3
  217965.2387  0.2761 -6.6064 3 1675.0192C56  595161404784633 2    784534 2      C-13-H3C(O)CH3
  217979.0506  0.3493 -6.6063 3 1675.0143C56  595161404784633 0    784534 0      C-13-H3C(O)CH3
  217979.7206  0.9055 -7.1540 3 1958.7389D52  595161404845233 2    845134 2      C-13-H3C(O)CH3
  217986.8569  0.5600 -6.8292 3 1619.6344612  595161404764927 3    764828 3      C-13-H3C(O)CH3
  217991.6896  0.0148 -6.1097 3  174.2325196  5951614042420 5 3    2321 2 3      C-13-H3C(O)CH3
  217992.0924  0.0135 -7.1819 3   68.9135248  5951614041514 2 2    1511 5 2      C-13-H3C(O)CH3
  218006.6093  0.2368 -6.9073 3 1675.0193628  595161404784633 3    784534 3      C-13-H3C(O)CH3
  218006.9597  0.2383 -6.9073 3 1675.0193628  595161404784633 4    784534 4      C-13-H3C(O)CH3
  218020.2647  0.6273 -6.6938 3 1703.1812C56  595161404785028 2    784929 2      C-13-H3C(O)CH3
  218020.9845  0.3364 -6.6062 3 1675.0145C56  595161404784633 1    784534 1      C-13-H3C(O)CH3
  218057.3512  0.0180 -5.2969 3  646.2410372  5951614044638 9 3    463710 3      C-13-H3C(O)CH3
  218057.9841  0.0128 -6.4683 3   95.9388296  5951614041815 3 0    1812 6 0      C-13-H3C(O)CH3
  218059.5724  0.7347 -7.1536 3 1958.7449D52  595161404845233 0    845134 0      C-13-H3C(O)CH3
  218068.5884  0.0158 -6.6889 3   95.9645296  5951614041815 3 1    1812 6 1      C-13-H3C(O)CH3
  218070.7513  0.0174 -5.2968 3  646.2248372  5951614044638 9 4    463710 4      C-13-H3C(O)CH3
  218071.5901  0.0207 -5.3137 3  535.0339332  5951614044137 5 4    4136 6 4      C-13-H3C(O)CH3
  218073.9205  0.0238 -5.3817 3  745.7603404  595161404503911 4    503812 4      C-13-H3C(O)CH3
  218075.3580  0.0171 -6.1084 3  174.2783196  5951614042420 4 4    2321 2 4      C-13-H3C(O)CH3
  218078.1290  0.0152 -5.0129 3  535.0717664  5951614044137 5 2    4136 6 2      C-13-H3C(O)CH3
  218089.4084  0.0148 -4.9960 3  646.2511744  5951614044638 8 2    4637 9 2      C-13-H3C(O)CH3
  218092.1423  0.0136 -7.1391 3   68.9464248  5951614041514 1 0    1511 4 0      C-13-H3C(O)CH3
  218097.5553  0.0200 -5.3816 3  745.7412404  595161404503912 3    503813 3      C-13-H3C(O)CH3
  218101.7670  0.0144 -4.9959 3  646.2351744  5951614044638 9 2    463710 2      C-13-H3C(O)CH3
  218115.3808  0.0146 -4.9841 3  116.2628424  59516140426 225 0    26 026 0      C-13-H3C(O)CH3
  218115.3808  0.0146 -4.9841 3  116.2628424  59516140426 125 0    26 126 0      C-13-H3C(O)CH3
  218115.3808  0.0146 -6.5913 3  116.2628424  59516140426 225 0    26 126 0      C-13-H3C(O)CH3
  218115.3808  0.0146 -6.5913 3  116.2628424  59516140426 125 0    26 026 0      C-13-H3C(O)CH3
  218118.0597  0.0177 -5.0806 3  745.7310808  595161404503911 2    503812 2      C-13-H3C(O)CH3
  218123.4113  0.5594 -6.8735 3 1619.6339612  595161404764927 4    764828 4      C-13-H3C(O)CH3
  218137.1746  0.0187 -5.2968 3  646.2708372  5951614044638 8 4    4637 9 4      C-13-H3C(O)CH3
  218150.5850  0.0176 -5.2967 3  646.2549372  5951614044638 8 3    4637 9 3      C-13-H3C(O)CH3
  218158.2821  0.5737 -6.6830 3 1703.1957C56  595161404785028 1    784929 1      C-13-H3C(O)CH3
  218161.8337  0.0131 -7.0499 3  520.5814364  595161404451926 4    442223 4      C-13-H3C(O)CH3
  218161.9284  0.0131 -7.0499 3  520.5814364  595161404451926 3    442223 3      C-13-H3C(O)CH3
  218162.5720  0.0150 -6.1096 3  174.1801196  5951614042420 5 4    2321 3 4      C-13-H3C(O)CH3
  218165.3211  0.0131 -7.0498 3  520.5812364  595161404452026 4    442123 4      C-13-H3C(O)CH3
  218165.4298  0.0131 -7.0499 3  520.5813364  595161404452026 3    442123 3      C-13-H3C(O)CH3
  218169.2481  0.0140 -7.1879 3   68.9874248  5951614041514 1 2    1511 4 2      C-13-H3C(O)CH3
  218173.4603  0.0154 -4.9956 3  646.2185744  5951614044638 9 1    463710 1      C-13-H3C(O)CH3
  218176.8684  0.7215 -6.9850 3 1703.2014628  595161404785028 3    784929 3      C-13-H3C(O)CH3
  218182.8611  0.0120 -6.7496 3  520.6047728  595161404451926 1    442223 1      C-13-H3C(O)CH3
  218186.1049  0.0120 -6.7496 3  520.6045728  595161404452026 1    442123 1      C-13-H3C(O)CH3
  218205.4919  0.0144 -4.9958 3  646.2286744  5951614044638 8 0    4637 9 0      C-13-H3C(O)CH3
  218205.4919  0.0144 -4.9958 3  646.2286744  5951614044638 9 0    463710 0      C-13-H3C(O)CH3
  218209.2202  0.0130 -6.7477 3  520.6022728  595161404451926 2    442223 2      C-13-H3C(O)CH3
  218212.5597  0.0130 -6.7477 3  520.6020728  595161404452026 2    442123 2      C-13-H3C(O)CH3
  218216.8362  0.0202 -5.3813 3  745.7480404  595161404503911 3    503812 3      C-13-H3C(O)CH3
  218220.3948  0.0081 -5.8699 3  192.4509440  595161404271414 2    261511 2      C-13-H3C(O)CH3
  218230.0169  0.0102 -6.7487 3  520.6254728  595161404451926 0    442223 0      C-13-H3C(O)CH3
  218233.1121  0.0102 -6.7486 3  520.6253728  595161404452026 0    442123 0      C-13-H3C(O)CH3
  218238.4804  0.0174 -5.0803 3  745.7220808  595161404503911 1    503812 1      C-13-H3C(O)CH3
  218239.7449  0.0182 -5.3811 3  745.7288404  595161404503912 4    503813 4      C-13-H3C(O)CH3
  218246.2338  0.0142 -6.1084 3  174.2258196  5951614042420 4 3    2321 3 3      C-13-H3C(O)CH3
  218248.2413  0.0184 -5.3133 3  535.0603332  5951614044137 5 3    4136 6 3      C-13-H3C(O)CH3
  218249.1146  0.0162 -5.0125 3  535.0613664  5951614044137 5 1    4136 6 1      C-13-H3C(O)CH3
  218254.2576  0.0153 -4.9956 3  646.2483744  5951614044638 8 1    4637 9 1      C-13-H3C(O)CH3
  218256.3551  0.0144 -5.0125 3  535.0981664  5951614044137 4 2    4136 5 2      C-13-H3C(O)CH3
  218256.7268  0.0141 -5.0127 3  535.0991664  5951614044137 4 0    4136 6 0      C-13-H3C(O)CH3
  218256.7268  0.0141 -5.0127 3  535.0991664  5951614044137 5 0    4136 5 0      C-13-H3C(O)CH3
  218259.7752  0.7402 -6.6388 3 1458.7631580  595161404724726 4    724627 4      C-13-H3C(O)CH3
  218259.8686  0.0161 -5.0802 3  745.7187808  595161404503912 2    503813 2      C-13-H3C(O)CH3
  218260.5070  0.0178 -5.3134 3  535.0811332  5951614044137 4 3    4136 5 3      C-13-H3C(O)CH3
  218261.1681  0.0157 -5.0801 3  745.7029808  595161404503912 1    503813 1      C-13-H3C(O)CH3
  218263.0539  0.4259 -6.9484 3 1854.7245D20  595161404824934 2    824835 2      C-13-H3C(O)CH3
  218264.1115  0.0172 -6.3168 3  124.7443344  5951614042115 6 2    2016 5 2      C-13-H3C(O)CH3
  218267.4867  0.5173 -6.2773 3 1458.7287B60  595161404724726 2    724627 2      C-13-H3C(O)CH3
  218271.0065  0.6399 -7.0078 3 1703.2009628  595161404785028 4    784929 4      C-13-H3C(O)CH3
  218276.8873  0.0209 -6.9428 3   95.9902148  5951614041815 3 4    1812 6 4      C-13-H3C(O)CH3
  218281.5807  0.6863 -7.1530 3 1958.7486D52  595161404845233 1    845134 1      C-13-H3C(O)CH3
  218281.8715  0.0153 -5.0801 3  745.6927808  595161404503911 0    503812 0      C-13-H3C(O)CH3
  218281.8801  0.0153 -5.0801 3  745.6927808  595161404503912 0    503813 0      C-13-H3C(O)CH3
  218281.9431  0.2519 -6.2211 3 1458.7072B60  595161404724726 0    724627 0      C-13-H3C(O)CH3
  218285.3786  0.5464 -6.9483 3 1854.7252D20  595161404824934 0    824835 0      C-13-H3C(O)CH3
  218290.0718  0.0093 -6.0637 3   76.8716140  5951614041710 7 4    1611 5 4      C-13-H3C(O)CH3
  218291.2223  0.0074 -5.8691 3  192.4602440  595161404271414 0    261511 0      C-13-H3C(O)CH3
  218348.4428  0.3939 -6.2645 3 1458.7413B60  595161404724726 1    724627 1      C-13-H3C(O)CH3
  218352.1521  0.1085 -6.0008 3 1188.3866532  595161404663630 3    663531 3      C-13-H3C(O)CH3
  218352.2310  0.1084 -6.0008 3 1188.3866532  595161404663630 4    663531 4      C-13-H3C(O)CH3
  218373.6416  0.0068 -6.3471 3   76.8308280  5951614041710 7 2    1611 5 2      C-13-H3C(O)CH3
  218377.9158  0.2781 -7.2490 3 1854.7206660  595161404824934 3    824835 3      C-13-H3C(O)CH3
  218379.6211  0.2795 -7.2490 3 1854.7206660  595161404824934 4    824835 4      C-13-H3C(O)CH3
  218390.1470  0.0154 -6.7038 3   95.9602296  5951614041815 3 2    1812 6 2      C-13-H3C(O)CH3
  218401.9552  0.5041 -6.9479 3 1854.7214D20  595161404824934 1    824835 1      C-13-H3C(O)CH3
  218405.7622  0.0015 -4.4173 3   63.2287132 -59516140416 7 9 3    15 8 8 3      C-13-H3C(O)CH3
  218405.9734  0.0895 -5.6996 3 1188.3711A64  595161404663630 1    663531 1      C-13-H3C(O)CH3
  218410.9625  0.0017 -4.4172 3   63.2286132 -59516140416 7 9 4    15 8 8 4      C-13-H3C(O)CH3
  218422.3990  0.0036 -4.4988 3  441.6532680  595161404421626 0    421527 0      C-13-H3C(O)CH3
  218422.3991  0.0036 -4.4988 3  441.6532680  595161404421726 0    421627 0      C-13-H3C(O)CH3
  218422.5931  0.0036 -4.1863 3   35.9141 92  5951614041111 1 4    1010 1 4      C-13-H3C(O)CH3
  218423.2433  0.0063 -6.3092 3   14.5478136  595161404 8 7 1 0     7 4 4 0      C-13-H3C(O)CH3
  218424.3723  0.0070 -6.0343 3  114.5622328  5951614042015 6 0    2012 9 0      C-13-H3C(O)CH3
  218425.3679  0.1090 -5.6996 3 1188.3742A64  595161404663630 2    663531 2      C-13-H3C(O)CH3
  218428.2283  0.0052 -5.0631 3  109.5590328  5951614042013 8 0    1914 5 0      C-13-H3C(O)CH3
  218437.5111  0.0043 -4.4986 3  441.6241680 -595161404421626 2    421527 2      C-13-H3C(O)CH3
  218437.5111  0.0043 -4.4986 3  441.6241680 -595161404421726 2    421627 2      C-13-H3C(O)CH3
  218438.6438  0.0173 -5.3130 3  535.1073332  5951614044137 4 4    4136 5 4      C-13-H3C(O)CH3
  218439.8307  0.0143 -5.0121 3  535.1085664  5951614044137 4 1    4136 5 1      C-13-H3C(O)CH3
  218442.8452  0.0042 -4.4986 3  441.6255680 -595161404421726 1    421627 1      C-13-H3C(O)CH3
  218442.8452  0.0042 -4.4986 3  441.6255680 -595161404421626 1    421527 1      C-13-H3C(O)CH3
  218451.7534  0.3400 -6.5272 3 1458.7625580  595161404724726 3    724627 3      C-13-H3C(O)CH3
  218458.0745  0.0045 -4.7995 3  441.5963340 -595161404421726 3    421627 3      C-13-H3C(O)CH3
  218458.0745  0.0045 -4.7995 3  441.5963340 -595161404421726 4    421627 4      C-13-H3C(O)CH3
  218458.0745  0.0045 -4.7995 3  441.5963340 -595161404421626 4    421527 4      C-13-H3C(O)CH3
  218458.0745  0.0045 -4.7995 3  441.5963340 -595161404421626 3    421527 3      C-13-H3C(O)CH3
  218478.6354  0.0895 -5.6994 3 1188.3587A64  595161404663630 0    663531 0      C-13-H3C(O)CH3
  218490.6216  0.0017 -4.1168 3   63.1899264 -59516140416 7 9 2    15 8 8 2      C-13-H3C(O)CH3
  218495.9841  0.0017 -4.1163 3   63.1918264 -59516140416 7 9 1    15 8 8 1      C-13-H3C(O)CH3
  218512.7626  0.0033 -4.1860 3   35.9950 92  5951614041111 0 3    1010 0 3      C-13-H3C(O)CH3
  218515.1857  0.0070 -5.4324 3  107.3008164  5951614042012 9 4    1913 6 4      C-13-H3C(O)CH3
  218530.8151  0.0033 -4.1859 3   35.9901 92  5951614041111 1 3    1010 1 3      C-13-H3C(O)CH3
  218532.3441  0.0067 -6.2081 3   76.8337280  5951614041710 7 1    1611 5 1      C-13-H3C(O)CH3
  218578.1372  0.0017 -4.1168 3   63.1531264 -59516140416 7 9 0    15 8 8 0      C-13-H3C(O)CH3
  218621.5836  0.0026 -4.1856 3   36.0711 92  5951614041111 0 4    1010 0 4      C-13-H3C(O)CH3
  218652.8464  0.1966 -6.5826 3 1504.0322596  595161404744332 4    744233 4      C-13-H3C(O)CH3
  218653.0637  0.1955 -6.5826 3 1504.0321596  595161404744332 3    744233 3      C-13-H3C(O)CH3
  218669.2818  0.2018 -6.2815 3 1504.0267B92  595161404744332 2    744233 2      C-13-H3C(O)CH3
  218679.0884  0.2216 -6.2815 3 1504.0220B92  595161404744332 1    744233 1      C-13-H3C(O)CH3
  218695.4522  0.2244 -6.2814 3 1504.0166B92  595161404744332 0    744233 0      C-13-H3C(O)CH3
  218702.3147  0.0034 -3.8840 3   35.9181184  5951614041111 1 1    1010 1 1      C-13-H3C(O)CH3
  218715.5063  0.0174 -6.4635 3  124.7311344  5951614042115 6 1    2016 5 1      C-13-H3C(O)CH3
  218728.6059  0.0032 -3.8839 3   35.9274184  5951614041111 1 2    1010 1 2      C-13-H3C(O)CH3
  218745.0808  0.0225 -6.5800 3  283.3540520  595161404321913 2    312210 2      C-13-H3C(O)CH3
  218746.5326  0.0023 -6.4096 3   37.8004100  59516140412 9 3 3    11 8 3 3      C-13-H3C(O)CH3
  218773.8842  0.0078 -5.4023 3  109.5683164  5951614042013 8 3    1914 5 3      C-13-H3C(O)CH3
  218787.1551  0.0133 -6.3944 3  124.6374172  5951614042115 7 4    211210 4      C-13-H3C(O)CH3
  218793.1971  0.0029 -3.8838 3   35.9990184  5951614041111 0 1    1010 0 1      C-13-H3C(O)CH3
  218795.1446  0.0068 -6.5779 3   14.6135136  595161404 8 7 1 1     7 4 4 1      C-13-H3C(O)CH3
  218798.8937  0.0070 -6.5710 3   14.6129136  595161404 8 7 1 2     7 4 4 2      C-13-H3C(O)CH3
  218809.2685  0.0940 -5.9991 3 1188.3891532  595161404663730 4    663631 4      C-13-H3C(O)CH3
  218809.5126  0.0937 -5.9991 3 1188.3891532  595161404663730 3    663631 3      C-13-H3C(O)CH3
  218837.5950  0.0031 -3.8836 3   36.0033184  5951614041111 0 2    1010 0 2      C-13-H3C(O)CH3
  218838.9743  0.2766 -7.2401 3 1458.7413B60  595161404724725 1    724627 1      C-13-H3C(O)CH3
  218847.9118  0.0862 -5.6979 3 1188.3736A64  595161404663730 1    663631 1      C-13-H3C(O)CH3
  218856.1733  0.0932 -5.6979 3 1188.3765A64  595161404663730 2    663631 2      C-13-H3C(O)CH3
  218861.9894  0.3597 -7.1360 3 1458.7287B60  595161404724725 2    724627 2      C-13-H3C(O)CH3
  218867.6885  0.0110 -6.4007 3  114.5776328  5951614042015 5 1    2012 9 1      C-13-H3C(O)CH3
  218884.7240  0.0039 -5.0867 3  107.2733328  5951614042012 9 2    1913 6 2      C-13-H3C(O)CH3
  218887.6111  0.0040 -5.0953 3  107.2763328  5951614042012 9 1    1913 6 1      C-13-H3C(O)CH3
  218894.7875  0.0859 -5.6978 3 1188.3609A64  595161404663730 0    663631 0      C-13-H3C(O)CH3
  218935.6643  0.0182 -6.5460 3  283.3751520  595161404321913 0    312210 0      C-13-H3C(O)CH3
  218978.6538  0.0246 -6.6056 3  239.0496236  595161404292010 4    291712 4      C-13-H3C(O)CH3
  218987.2487  0.0109 -6.4069 3  114.5745328  5951614042015 5 2    2012 9 2      C-13-H3C(O)CH3
  219007.9924  0.0030 -3.8827 3   35.9313184 -5951614041111 1 0    1010 0 0      C-13-H3C(O)CH3
  219008.8341  0.0030 -3.8827 3   35.9313184  5951614041111 0 0    1010 1 0      C-13-H3C(O)CH3
  219013.6995  0.0024 -5.0718 3  107.2567328  5951614042012 9 0    1913 6 0      C-13-H3C(O)CH3
  219014.5768  0.0116 -6.4797 3  104.9127312  5951614041915 5 1    1912 8 1      C-13-H3C(O)CH3
  219049.3793  0.0036 -5.3782 3  107.2836164  5951614042012 9 3    1913 6 3      C-13-H3C(O)CH3
  219059.0428  0.4917 -7.1486 3 1458.7631580  595161404724725 4    724627 4      C-13-H3C(O)CH3
  219083.1048  0.0918 -5.8996 3 1100.7975500  595161404624320 4    624220 4      C-13-H3C(O)CH3
  219105.0117  0.0170 -6.5013 3  239.0687472  595161404292010 1    291712 1      C-13-H3C(O)CH3
  219113.3976  0.0217 -7.0364 3  283.3588520  595161404321913 1    3122 9 1      C-13-H3C(O)CH3
  219122.7066  0.1424 -6.2791 3 1341.8042564  595161404704031 4    703932 4      C-13-H3C(O)CH3
  219123.0374  0.1417 -6.2791 3 1341.8041564  595161404704031 3    703932 3      C-13-H3C(O)CH3
  219146.0303  0.0067 -4.7914 3  656.6242808  595161404502327 0    502228 0      C-13-H3C(O)CH3
  219146.1150  0.0067 -4.7914 3  656.6242808  595161404502427 0    502328 0      C-13-H3C(O)CH3
  219160.9802  0.1415 -5.9779 3 1341.7900B28  595161404704031 1    703932 1      C-13-H3C(O)CH3
  219161.0926  0.0080 -6.5400 3  320.9282284  595161404351619 3    341916 3      C-13-H3C(O)CH3
  219161.1156  0.0082 -6.5400 3  320.9282284  595161404351619 4    341916 4      C-13-H3C(O)CH3
  219167.6586  0.1423 -5.9779 3 1341.7940B28  595161404704031 2    703932 2      C-13-H3C(O)CH3
  219175.2447  0.0080 -6.2391 3  320.9551568  595161404351619 1    341916 1      C-13-H3C(O)CH3
  219183.0750  0.0100 -4.7911 3  656.6111808  595161404502327 2    502228 2      C-13-H3C(O)CH3
  219183.1697  0.0100 -4.7911 3  656.6111808  595161404502427 2    502328 2      C-13-H3C(O)CH3
  219186.1977  0.0074 -4.7911 3  656.6121808  595161404502327 1    502228 1      C-13-H3C(O)CH3
  219186.2916  0.0074 -4.7911 3  656.6121808  595161404502427 1    502328 1      C-13-H3C(O)CH3
  219195.8242  0.0028 -4.5279 3   37.7604200 -59516140412 9 3 1    11 8 3 1      C-13-H3C(O)CH3
  219196.9666  0.0030 -4.5832 3   37.7588200 -59516140412 9 3 2    11 8 3 2      C-13-H3C(O)CH3
  219205.1742  0.1157 -5.6353 3 1100.7499A00  595161404624320 1    624220 1      C-13-H3C(O)CH3
  219205.9217  0.1419 -5.9778 3 1341.7799B28  595161404704031 0    703932 0      C-13-H3C(O)CH3
  219212.6032  0.0194 -7.1864 3  239.0493236  595161404292010 3    291712 3      C-13-H3C(O)CH3
  219223.3129  0.0103 -5.0919 3  656.5990404  595161404502327 3    502228 3      C-13-H3C(O)CH3
  219223.4099  0.0104 -5.0919 3  656.5990404  595161404502327 4    502228 4      C-13-H3C(O)CH3
  219223.4180  0.0103 -5.0919 3  656.5990404  595161404502427 3    502328 3      C-13-H3C(O)CH3
  219223.5143  0.0104 -5.0919 3  656.5990404  595161404502427 4    502328 4      C-13-H3C(O)CH3
  219242.0781  0.0081 -6.2363 3  320.9495568  595161404351619 2    341916 2      C-13-H3C(O)CH3
  219255.8915  0.0070 -6.2365 3  320.9765568  595161404351619 0    341916 0      C-13-H3C(O)CH3
  219256.3137  0.4695 -6.5195 3 1273.2400540  595161404674523 4    674423 4      C-13-H3C(O)CH3
  219262.3599  0.0936 -5.6052 3 1100.7520A00  595161404624320 2    624220 2      C-13-H3C(O)CH3
  219280.0426  0.0025 -4.6069 3   37.8229100 -59516140412 9 3 4    11 8 3 4      C-13-H3C(O)CH3
  219283.7302  0.2899 -6.6190 3 1100.7473A00  595161404624320 1    624221 1      C-13-H3C(O)CH3
  219293.1156  0.0061 -6.9298 3   14.6785 68  595161404 8 7 1 4     7 4 4 4      C-13-H3C(O)CH3
  219298.3135  0.0034 -4.4693 3  416.4513664 -595161404411526 0    411427 0      C-13-H3C(O)CH3
  219298.3135  0.0034 -4.4693 3  416.4513664 -595161404411626 0    411527 0      C-13-H3C(O)CH3
  219302.5416  0.0040 -4.4692 3  416.4219664 -595161404411626 2    411527 2      C-13-H3C(O)CH3
  219302.5416  0.0040 -4.4692 3  416.4219664 -595161404411526 2    411427 2      C-13-H3C(O)CH3
  219306.3414  0.0171 -5.0624 3  515.7796648  5951614044037 4 2    4036 5 2      C-13-H3C(O)CH3
  219307.9226  0.0040 -4.4692 3  416.4233664 -595161404411626 1    411527 1      C-13-H3C(O)CH3
  219307.9226  0.0040 -4.4692 3  416.4233664 -595161404411526 1    411427 1      C-13-H3C(O)CH3
  219312.3196  0.0042 -4.7701 3  416.3939332 -595161404411626 3    411527 3      C-13-H3C(O)CH3
  219312.3196  0.0042 -4.7701 3  416.3939332 -595161404411526 4    411427 4      C-13-H3C(O)CH3
  219312.3196  0.0042 -4.7701 3  416.3939332 -595161404411526 3    411427 3      C-13-H3C(O)CH3
  219312.3196  0.0042 -4.7701 3  416.3939332 -595161404411626 4    411527 4      C-13-H3C(O)CH3
  219316.8051  0.0230 -5.3631 3  515.7363324  5951614044037 4 4    4036 5 4      C-13-H3C(O)CH3
  219319.2206  0.3710 -7.1470 3 1100.7955500  595161404624320 3    624220 3      C-13-H3C(O)CH3
  219330.4630  0.0151 -6.6924 3  114.5896164  5951614042015 5 4    2012 9 4      C-13-H3C(O)CH3
  219346.7562  0.3072 -6.2082 3 1273.2042A80  595161404674523 1    674423 1      C-13-H3C(O)CH3
  219372.5175  0.1022 -5.5918 3 1100.7050A00  595161404624319 0    624220 0      C-13-H3C(O)CH3
  219381.5474  0.0079 -6.4200 3  109.5481164  5951614042013 8 3    1914 6 3      C-13-H3C(O)CH3
  219384.5820  0.0016 -4.2915 3   67.9468140 -59516140417 611 4    16 710 4      C-13-H3C(O)CH3
  219384.5820  0.0015 -4.2915 3   67.9468140 -59516140417 611 3    16 710 3      C-13-H3C(O)CH3
  219392.3221  0.0872 -5.9179 3 1100.7955500  595161404624319 3    624220 3      C-13-H3C(O)CH3
  219402.4051  0.3989 -6.3101 3 1273.1975A80  595161404674523 2    674423 2      C-13-H3C(O)CH3
  219403.3578  0.0287 -5.4805 3  827.5387428  595161404534013 4    533914 4      C-13-H3C(O)CH3
  219404.0924  0.0981 -5.9178 3 1100.7926500  595161404624320 3    624221 3      C-13-H3C(O)CH3
  219405.0784  0.0016 -4.2914 3   67.9463140 -59516140417 711 4    16 610 4      C-13-H3C(O)CH3
  219405.0784  0.0015 -4.2914 3   67.9462140 -59516140417 711 3    16 610 3      C-13-H3C(O)CH3
  219405.4640  0.3452 -7.1231 3 1100.7472A00  595161404624320 2    624221 2      C-13-H3C(O)CH3
  219412.5964  0.1020 -5.5916 3 1100.7035A00  595161404624320 0    624221 0      C-13-H3C(O)CH3
  219416.5436  0.0131 -7.1357 3   68.9022248  5951614041514 2 0    1511 5 0      C-13-H3C(O)CH3
  219437.6279  0.0114 -6.4871 3  104.9109312  5951614041915 5 2    1912 8 2      C-13-H3C(O)CH3
  219438.5486  0.0149 -6.7539 3  104.9287156  5951614041915 5 3    1912 8 3      C-13-H3C(O)CH3
  219439.0240  0.2870 -7.1232 3 1100.7520A00  595161404624319 2    624220 2      C-13-H3C(O)CH3
  219453.5417  0.2460 -6.6186 3 1100.7499A00  595161404624319 1    624220 1      C-13-H3C(O)CH3
  219455.0836  0.0298 -6.9894 3  283.3201260  595161404321913 3    312210 3      C-13-H3C(O)CH3
  219464.3599  0.0016 -3.9903 3   67.9101280 -59516140417 611 1    16 710 1      C-13-H3C(O)CH3
  219466.7571  0.0016 -3.9905 3   67.9087280 -59516140417 611 2    16 710 2      C-13-H3C(O)CH3
  219477.1939  0.3977 -7.1464 3 1100.7926500  595161404624319 3    624221 3      C-13-H3C(O)CH3
  219485.1732  0.0016 -3.9902 3   67.9095280 -59516140417 711 1    16 610 1      C-13-H3C(O)CH3
  219486.3698  0.7769 -6.9052 3 1828.5175D04  595161404815131 2    815032 2      C-13-H3C(O)CH3
  219488.1741  0.0016 -3.9904 3   67.9081280 -59516140417 711 2    16 610 2      C-13-H3C(O)CH3
  219493.1451  0.0157 -5.0622 3  515.8159648  5951614044037 4 0    4036 4 0      C-13-H3C(O)CH3
  219493.1451  0.0157 -5.0622 3  515.8159648  5951614044037 3 0    4036 5 0      C-13-H3C(O)CH3
  219501.0864  0.0243 -5.4801 3  827.5264428  595161404534014 3    533915 3      C-13-H3C(O)CH3
  219501.8104  0.0223 -5.1791 3  827.5034856  595161404534013 2    533914 2      C-13-H3C(O)CH3
  219502.6723  0.0183 -5.0619 3  515.7726648  5951614044037 4 1    4036 5 1      C-13-H3C(O)CH3
  219522.9972  0.1764 -5.8869 3 1273.1618A80  595161404674522 0    674423 0      C-13-H3C(O)CH3
  219523.8130  0.0200 -5.3628 3  515.7886324  5951614044037 3 3    4036 4 3      C-13-H3C(O)CH3
  219532.0977  0.0990 -5.6343 3 1100.7473A00  595161404624319 1    624221 1      C-13-H3C(O)CH3
  219533.3744  0.0164 -5.0619 3  515.8102648  5951614044037 3 2    4036 4 2      C-13-H3C(O)CH3
  219534.4381  0.5322 -6.9041 3 1828.5192D04  595161404815131 0    815032 0      C-13-H3C(O)CH3
  219542.2785  0.0204 -5.3626 3  515.7669324  5951614044037 4 3    4036 5 3      C-13-H3C(O)CH3
  219546.3350  0.0016 -3.9903 3   67.8720280 -59516140417 611 0    16 710 0      C-13-H3C(O)CH3
  219551.6622  0.0114 -5.5200 3  155.4739376  5951614042318 6 0    2219 3 0      C-13-H3C(O)CH3
  219558.9479  0.1929 -7.0176 3 1273.2400540  595161404674523 3    674423 3      C-13-H3C(O)CH3
  219563.9505  0.0114 -5.5200 3  155.4739376  5951614042318 5 0    2219 4 0      C-13-H3C(O)CH3
  219568.1015  0.0016 -3.9902 3   67.8714280 -59516140417 711 0    16 610 0      C-13-H3C(O)CH3
  219571.1753  0.0341 -7.0335 3  283.3162260  595161404321913 4    312210 4      C-13-H3C(O)CH3
  219582.1281  0.0958 -5.6043 3 1100.7472A00  595161404624319 2    624221 2      C-13-H3C(O)CH3
  219582.2875  0.0216 -5.1789 3  827.4929856  595161404534013 1    533914 1      C-13-H3C(O)CH3
  219615.5826  0.0235 -5.4799 3  827.5292428  595161404534013 3    533914 3      C-13-H3C(O)CH3
  219621.1612  0.3512 -6.2574 3 1273.2400540  595161404674522 3    674423 3      C-13-H3C(O)CH3
  219633.8544  0.4727 -6.4608 3 1273.2274540  595161404674523 4    674424 4      C-13-H3C(O)CH3
  219638.1194  0.0084 -5.4502 3  109.5276328  5951614042013 8 2    1914 6 2      C-13-H3C(O)CH3
  219645.0089  0.0015 -4.4108 3   63.1960132 -59516140416 8 9 4    15 7 8 4      C-13-H3C(O)CH3
  219651.5526  0.0017 -4.4108 3   63.1958132 -59516140416 8 9 3    15 7 8 3      C-13-H3C(O)CH3
  219679.2765  0.0223 -5.1786 3  827.4807856  595161404534014 1    533915 1      C-13-H3C(O)CH3
  219680.1373  0.0206 -5.1786 3  827.4576856  595161404534013 0    533914 0      C-13-H3C(O)CH3
  219680.2316  0.0206 -5.1786 3  827.4576856  595161404534014 0    533915 0      C-13-H3C(O)CH3
  219681.2245  0.7207 -7.2058 3 1828.5302652  595161404815131 3    815032 3      C-13-H3C(O)CH3
  219683.8722  0.7699 -7.2057 3 1828.5307652  595161404815131 4    815032 4      C-13-H3C(O)CH3
  219697.8682  0.0145 -6.8969 3  104.9287156  5951614041915 4 3    1912 8 3      C-13-H3C(O)CH3
  219703.0495  0.2840 -6.1686 3 1273.2042A80  595161404674522 1    674423 1      C-13-H3C(O)CH3
  219706.3405  0.0229 -6.7097 3  283.3390520  595161404321913 1    312210 1      C-13-H3C(O)CH3
  219711.5885  0.0164 -5.0615 3  515.8248648  5951614044037 3 1    4036 4 1      C-13-H3C(O)CH3
  219712.1363  0.0099 -5.5184 3  155.4764376  5951614042318 5 2    2219 3 2      C-13-H3C(O)CH3
  219712.3771  0.0234 -5.4795 3  827.5169428  595161404534014 4    533915 4      C-13-H3C(O)CH3
  219712.5421  0.1001 -5.8977 3 1100.7907500  595161404624319 4    624221 4      C-13-H3C(O)CH3
  219713.1202  0.0213 -5.1785 3  827.4938856  595161404534014 2    533915 2      C-13-H3C(O)CH3
  219725.3484  0.2381 -6.0924 3 1273.1975A80  595161404674522 2    674423 2      C-13-H3C(O)CH3
  219730.4256  0.5401 -6.9036 3 1828.5322D04  595161404815131 1    815032 1      C-13-H3C(O)CH3
  219730.4768  0.3431 -6.1682 3 1273.1914A80  595161404674523 1    674424 1      C-13-H3C(O)CH3
  219744.9272  0.0093 -6.0405 3  124.6283344  5951614042115 7 1    211210 1      C-13-H3C(O)CH3
  219751.2282  0.0199 -5.3623 3  515.8190324  5951614044037 3 4    4036 4 4      C-13-H3C(O)CH3
  219754.4510  0.0016 -4.1097 3   63.1586264 -59516140416 8 9 1    15 7 8 1      C-13-H3C(O)CH3
  219775.3001  0.0017 -4.1100 3   63.1559264 -59516140416 8 9 2    15 7 8 2      C-13-H3C(O)CH3
  219782.4136  0.0177 -5.0847 3  840.0392904  595161404562828 0    562729 0      C-13-H3C(O)CH3
  219786.3263  0.0177 -5.0847 3  840.0392904  595161404562928 0    562829 0      C-13-H3C(O)CH3
  219786.7091  0.3440 -6.0920 3 1273.1847A80  595161404674523 2    674424 2      C-13-H3C(O)CH3
  219791.8690  0.0189 -5.0846 3  840.0423904  595161404562828 1    562729 1      C-13-H3C(O)CH3
  219791.9632  0.0244 -5.0846 3  840.0425904  595161404562828 2    562729 2      C-13-H3C(O)CH3
  219795.8145  0.0181 -5.2943 3  624.4122364  5951614044538 8 4    4537 9 4      C-13-H3C(O)CH3
  219796.1529  0.0189 -5.0846 3  840.0423904  595161404562928 1    562829 1      C-13-H3C(O)CH3
  219796.2036  0.0243 -5.0846 3  840.0425904  595161404562928 2    562829 2      C-13-H3C(O)CH3
  219801.4208  0.0252 -5.3855 3  840.0456452  595161404562828 3    562729 3      C-13-H3C(O)CH3
  219801.5019  0.0253 -5.3855 3  840.0456452  595161404562828 4    562729 4      C-13-H3C(O)CH3
  219806.0631  0.0251 -5.3855 3  840.0456452  595161404562928 3    562829 3      C-13-H3C(O)CH3
  219806.1276  0.0252 -5.3855 3  840.0456452  595161404562928 4    562829 4      C-13-H3C(O)CH3
  219821.7548  0.0142 -4.9934 3  624.4282728  5951614044538 8 2    4537 9 2      C-13-H3C(O)CH3
  219831.7310  0.0180 -5.2943 3  624.4298364  5951614044538 8 3    4537 9 3      C-13-H3C(O)CH3
  219852.0430  0.0156 -7.1083 3  239.0530472  595161404292010 2    291712 2      C-13-H3C(O)CH3
  219858.0494  0.1730 -5.8855 3 1273.1489A80  595161404674523 0    674424 0      C-13-H3C(O)CH3
  219858.9118  0.0141 -4.9934 3  624.4457728  5951614044538 7 2    4537 8 2      C-13-H3C(O)CH3
  219881.1511  0.0016 -4.1100 3   63.1187264 -59516140416 8 9 0    15 7 8 0      C-13-H3C(O)CH3
  219904.2255  0.0172 -5.2942 3  624.4461364  5951614044538 7 3    4537 8 3      C-13-H3C(O)CH3
  219909.0304  0.0108 -5.5179 3  155.4633376  5951614042318 5 1    2219 3 1      C-13-H3C(O)CH3
  219922.8062  0.0155 -4.9931 3  624.4126728  5951614044538 8 1    4537 9 1      C-13-H3C(O)CH3
  219929.8164  0.3352 -6.4603 3 1273.2400540  595161404674522 4    674423 4      C-13-H3C(O)CH3
  219940.5243  0.0175 -5.2942 3  624.4634364  5951614044538 7 4    4537 8 4      C-13-H3C(O)CH3
  219942.9288  0.2813 -6.2561 3 1273.2272540  595161404674523 3    674424 3      C-13-H3C(O)CH3
  219946.2608  0.0032 -4.6142 3   37.6676100 -59516140412 9 4 4    11 8 4 4      C-13-H3C(O)CH3
  219946.3199  0.0108 -5.5186 3  155.4056376  5951614042318 6 1    2219 4 1      C-13-H3C(O)CH3
  219949.7642  0.0140 -4.9933 3  624.4285728  5951614044538 7 0    4537 8 0      C-13-H3C(O)CH3
  219949.7642  0.0140 -4.9933 3  624.4285728  5951614044538 8 0    4537 9 0      C-13-H3C(O)CH3
  219952.1636  0.0082 -5.4146 3  109.5178328  5951614042013 8 1    1914 6 1      C-13-H3C(O)CH3
  219970.4079  0.0071 -6.2287 3  124.6376172  5951614042115 7 3    211210 3      C-13-H3C(O)CH3
  219975.8626  0.0108 -5.5177 3  155.4192376  5951614042318 6 2    2219 4 2      C-13-H3C(O)CH3
  220005.1421  0.2212 -7.0162 3 1273.2272540  595161404674522 3    674424 3      C-13-H3C(O)CH3
  220031.5724  0.0556 -5.7379 3 1005.0346476  595161404594218 4    594118 4      C-13-H3C(O)CH3
  220032.4277  0.0145 -4.9930 3  624.4464728  5951614044538 7 1    4537 8 1      C-13-H3C(O)CH3
  220064.4824  0.0140 -5.8174 3  155.4657188  5951614042318 5 4    2219 3 4      C-13-H3C(O)CH3
  220086.7701  0.2449 -6.2057 3 1273.1914A80  595161404674522 1    674424 1      C-13-H3C(O)CH3
  220089.6212  0.0373 -5.5997 3  913.9565452  595161404564116 4    564016 4      C-13-H3C(O)CH3
  220098.5111  0.0040 -4.7439 3  391.7724324 -595161404401526 4    401427 4      C-13-H3C(O)CH3
  220098.5111  0.0040 -4.7439 3  391.7724324 -595161404401526 3    401427 3      C-13-H3C(O)CH3
  220098.5111  0.0040 -4.7439 3  391.7724324 -595161404401426 3    401327 3      C-13-H3C(O)CH3
  220098.5111  0.0040 -4.7439 3  391.7724324 -595161404401426 4    401327 4      C-13-H3C(O)CH3
  220099.5021  0.0114 -5.8185 3  155.4080188  5951614042318 6 3    2219 4 3      C-13-H3C(O)CH3
  220102.0659  0.0039 -4.4430 3  391.8000648 -595161404401426 2    401327 2      C-13-H3C(O)CH3
  220102.0659  0.0039 -4.4430 3  391.8000648 -595161404401526 2    401427 2      C-13-H3C(O)CH3
  220107.4011  0.0039 -4.4429 3  391.8014648 -595161404401526 1    401427 1      C-13-H3C(O)CH3
  220107.4011  0.0039 -4.4429 3  391.8014648 -595161404401426 1    401327 1      C-13-H3C(O)CH3
  220109.6524  0.2805 -6.3076 3 1273.1847A80  595161404674522 2    674424 2      C-13-H3C(O)CH3
  220110.8881  0.0033 -4.4429 3  391.8289648 -595161404401526 0    401427 0      C-13-H3C(O)CH3
  220110.8881  0.0033 -4.4430 3  391.8289648 -595161404401426 0    401327 0      C-13-H3C(O)CH3
  220129.9029  0.0088 -6.0204 3  124.6246344  5951614042115 7 2    211210 2      C-13-H3C(O)CH3
  220162.5371  0.5822 -6.3995 3 1538.0313B92  595161404744827 2    744728 2      C-13-H3C(O)CH3
  220174.1775  0.8149 -6.7430 3 1538.0622596  595161404744827 4    744728 4      C-13-H3C(O)CH3
  220190.9835  0.0650 -5.4368 3 1004.9839952  595161404594218 1    594118 1      C-13-H3C(O)CH3
  220191.4921  0.2946 -6.3614 3 1538.0154B92  595161404744827 0    744728 0      C-13-H3C(O)CH3
  220203.1339  0.0570 -5.4364 3 1004.9909952  595161404594218 2    594118 2      C-13-H3C(O)CH3
  220232.1446  0.0341 -5.2982 3  913.9163904  595161404564116 2    564016 2      C-13-H3C(O)CH3
  220249.5597  0.0016 -4.2023 3   72.0730148 -59516140418 613 3    17 512 3      C-13-H3C(O)CH3
  220249.5597  0.0016 -4.2023 3   72.0731148 -59516140418 613 4    17 512 4      C-13-H3C(O)CH3
  220249.5597  0.0016 -4.2023 3   72.0731148 -59516140418 513 4    17 612 4      C-13-H3C(O)CH3
  220249.5597  0.0016 -4.2023 3   72.0730148 -59516140418 513 3    17 612 3      C-13-H3C(O)CH3
  220255.9422  0.0514 -5.6714 3 1007.2191492  595161404613229 3    613130 3      C-13-H3C(O)CH3
  220255.9927  0.0515 -5.6714 3 1007.2191492  595161404613229 4    613130 4      C-13-H3C(O)CH3
  220262.1027  0.0328 -5.5994 3  913.9496452  595161404564116 3    564016 3      C-13-H3C(O)CH3
  220267.0069  0.0361 -5.2981 3  913.9065904  595161404564115 1    564016 1      C-13-H3C(O)CH3
  220276.8296  0.0488 -5.7374 3 1005.0313476  595161404594217 3    594118 3      C-13-H3C(O)CH3
  220277.1875  0.4116 -6.3828 3 1538.0459B92  595161404744827 1    744728 1      C-13-H3C(O)CH3
  220277.7810  0.0419 -5.3703 3 1007.2066984  595161404613229 1    613130 1      C-13-H3C(O)CH3
  220282.9103  0.0506 -5.3703 3 1007.2081984  595161404613229 2    613130 2      C-13-H3C(O)CH3
  220302.0745  0.0041 -5.3605 3   22.1161 84  59516140410 5 5 3     9 4 6 3      C-13-H3C(O)CH3
  220304.5901  0.0410 -5.3703 3 1007.1956984  595161404613229 0    613130 0      C-13-H3C(O)CH3
  220307.3571  0.3286 -6.5161 3 1273.2274540  595161404674522 4    674424 4      C-13-H3C(O)CH3
  220308.2694  0.0501 -5.6712 3 1007.2193492  595161404613329 4    613230 4      C-13-H3C(O)CH3
  220308.3145  0.0500 -5.6712 3 1007.2193492  595161404613329 3    613230 3      C-13-H3C(O)CH3
  220317.1949  0.0017 -3.9011 3   72.0349296 -59516140418 613 1    17 512 1      C-13-H3C(O)CH3
  220317.1949  0.0017 -3.9011 3   72.0349296 -59516140418 513 1    17 612 1      C-13-H3C(O)CH3
  220318.4678  0.0017 -3.9012 3   72.0339296 -59516140418 513 2    17 612 2      C-13-H3C(O)CH3
  220318.4678  0.0017 -3.9012 3   72.0339296 -59516140418 613 2    17 512 2      C-13-H3C(O)CH3
  220326.2604  0.0110 -5.8170 3  155.4085188  5951614042318 5 3    2219 3 3      C-13-H3C(O)CH3
  220327.2878  0.0419 -5.3701 3 1007.2068984  595161404613329 1    613230 1      C-13-H3C(O)CH3
  220328.5721  0.0197 -5.3602 3  721.8935396  595161404493911 3    493812 3      C-13-H3C(O)CH3
  220329.6360  0.0053 -5.3605 3   22.1160 84  59516140410 5 5 4     9 4 6 4      C-13-H3C(O)CH3
  220331.4058  0.0491 -5.3701 3 1007.2083984  595161404613329 2    613230 2      C-13-H3C(O)CH3
  220331.7933  0.0534 -5.7373 3 1005.0287476  595161404594218 3    594119 3      C-13-H3C(O)CH3
  220340.4163  0.0225 -5.3603 3  721.9149396  595161404493910 4    493811 4      C-13-H3C(O)CH3
  220347.0449  0.4221 -6.6680 3 1538.0616596  595161404744827 3    744728 3      C-13-H3C(O)CH3
  220350.4200  0.0409 -5.3701 3 1007.1958984  595161404613329 0    613230 0      C-13-H3C(O)CH3
  220355.3873  0.0315 -5.5992 3  913.9490452  595161404564115 3    564017 3      C-13-H3C(O)CH3
  220356.7112  0.0170 -5.0592 3  721.8883792  595161404493910 2    493811 2      C-13-H3C(O)CH3
  220359.1485  0.0120 -5.8174 3  155.3509188  5951614042318 6 4    2219 4 4      C-13-H3C(O)CH3
  220359.3657  0.0651 -5.4356 3 1004.9404952  595161404594217 0    594118 0      C-13-H3C(O)CH3
  220365.6620  0.0651 -5.4356 3 1004.9402952  595161404594218 0    594119 0      C-13-H3C(O)CH3
  220371.9007  0.2945 -6.4980 3 1460.7296588  595161404734132 3    734033 3      C-13-H3C(O)CH3
  220371.9517  0.2937 -6.4980 3 1460.7297588  595161404734132 4    734033 4      C-13-H3C(O)CH3
  220385.9263  0.0016 -3.9010 3   71.9959296 -59516140418 613 0    17 512 0      C-13-H3C(O)CH3
  220385.9263  0.0016 -3.9010 3   71.9959296 -59516140418 513 0    17 612 0      C-13-H3C(O)CH3
  220403.0147  0.0189 -5.8529 3  239.0493236  5951614042920 9 3    291712 3      C-13-H3C(O)CH3
  220408.7507  0.0371 -5.2977 3  913.8663904  595161404564115 0    564016 0      C-13-H3C(O)CH3
  220409.5926  0.0371 -5.2977 3  913.8663904  595161404564116 0    564017 0      C-13-H3C(O)CH3
  220412.7929  0.0047 -5.0580 3   22.0532168  59516140410 5 5 2     9 4 6 2      C-13-H3C(O)CH3
  220414.5519  0.0044 -6.8054 3   13.4200 68  595161404 8 6 2 3     7 3 5 3      C-13-H3C(O)CH3
  220415.5165  0.0031 -4.5314 3   37.6370200 -59516140412 9 4 1    11 8 4 1      C-13-H3C(O)CH3
  220426.6249  0.0181 -5.3599 3  721.8816396  595161404493911 4    493812 4      C-13-H3C(O)CH3
  220429.5763  0.0200 -5.1411 3  496.9928632  5951614043937 3 2    3936 4 2      C-13-H3C(O)CH3
  220431.5197  0.0044 -5.5401 3  117.2846172  595161404211210 4    2013 7 4      C-13-H3C(O)CH3
  220433.6937  0.2395 -6.1967 3 1460.7183B76  595161404734132 1    734033 1      C-13-H3C(O)CH3
  220436.4270  0.0662 -5.4361 3 1004.9806952  595161404594217 1    594119 1      C-13-H3C(O)CH3
  220438.9330  0.0198 -5.3600 3  721.9031396  595161404493910 3    493811 3      C-13-H3C(O)CH3
  220439.0371  0.0394 -5.2976 3  913.8996904  595161404564116 1    564017 1      C-13-H3C(O)CH3
  220454.1157  0.0156 -5.0589 3  721.8765792  595161404493911 2    493812 2      C-13-H3C(O)CH3
  220459.8153  0.0262 -5.4418 3  496.9443316  5951614043937 3 4    3936 4 4      C-13-H3C(O)CH3
  220468.8836  0.0046 -5.0582 3   22.0540168  59516140410 5 5 1     9 4 6 1      C-13-H3C(O)CH3
  220478.5932  0.0020 -6.4084 3   37.6903100  59516140412 9 4 3    11 8 4 3      C-13-H3C(O)CH3
  220481.3776  0.0153 -5.5801 3  239.0687472  5951614042920 9 1    291712 1      C-13-H3C(O)CH3
  220482.4071  0.0156 -5.0588 3  721.8600792  595161404493911 1    493812 1      C-13-H3C(O)CH3
  220483.6926  0.0034 -4.5866 3   37.6394200 -59516140412 9 4 2    11 8 4 2      C-13-H3C(O)CH3
  220495.2149  0.0172 -5.0589 3  721.8815792  595161404493910 1    493811 1      C-13-H3C(O)CH3
  220497.2708  0.0344 -5.2975 3  913.9088904  595161404564115 2    564017 2      C-13-H3C(O)CH3
  220503.0073  0.0586 -5.4355 3 1004.9851952  595161404594217 2    594119 2      C-13-H3C(O)CH3
  220507.2029  0.3050 -6.1965 3 1460.7235B76  595161404734132 2    734033 2      C-13-H3C(O)CH3
  220510.6083  0.0153 -5.0589 3  721.8548792  595161404493910 0    493811 0      C-13-H3C(O)CH3
  220510.6098  0.0153 -5.0589 3  721.8548792  595161404493911 0    493812 0      C-13-H3C(O)CH3
  220514.6365  0.0257 -7.2045 3  124.6935172  5951614042115 6 4    2016 5 4      C-13-H3C(O)CH3
  220526.8731  0.0356 -5.5984 3  913.9422452  595161404564115 4    564017 4      C-13-H3C(O)CH3
  220557.2337  0.0069 -5.5342 3  117.2806172  595161404211210 3    2013 7 3      C-13-H3C(O)CH3
  220560.3253  0.0060 -4.7427 3  626.8005792  595161404492227 0    492128 0      C-13-H3C(O)CH3
  220560.3526  0.0060 -4.7427 3  626.8005792  595161404492327 0    492228 0      C-13-H3C(O)CH3
  220566.0355  0.0044 -5.0568 3   21.9913168  59516140410 5 5 0     9 4 6 0      C-13-H3C(O)CH3
  220568.4104  0.2433 -6.1963 3 1460.7122B76  595161404734132 0    734033 0      C-13-H3C(O)CH3
  220576.1182  0.0591 -5.7363 3 1005.0255476  595161404594217 4    594119 4      C-13-H3C(O)CH3
  220600.1815  0.0086 -4.7424 3  626.7844792  595161404492227 2    492128 2      C-13-H3C(O)CH3
  220600.2124  0.0086 -4.7424 3  626.7844792  595161404492327 2    492228 2      C-13-H3C(O)CH3
  220603.5405  0.0066 -4.7424 3  626.7855792  595161404492227 1    492128 1      C-13-H3C(O)CH3
  220603.5710  0.0066 -4.7424 3  626.7855792  595161404492327 1    492228 1      C-13-H3C(O)CH3
  220614.0722  0.0085 -6.2327 3  320.9073568  595161404351719 1    341816 1      C-13-H3C(O)CH3
  220614.9920  0.0198 -5.9129 3  239.0496236  5951614042920 9 4    291712 4      C-13-H3C(O)CH3
  220619.5395  0.0182 -5.1410 3  497.0382632  5951614043937 3 0    3936 4 0      C-13-H3C(O)CH3
  220619.5395  0.0182 -5.1410 3  497.0382632  5951614043937 2 0    3936 3 0      C-13-H3C(O)CH3
  220622.4060  0.0048 -5.2322 3  117.2691344  595161404211210 1    2013 7 1      C-13-H3C(O)CH3
  220625.5511  0.0089 -6.5334 3  320.8795284  595161404351719 4    341816 4      C-13-H3C(O)CH3
  220627.7285  0.0090 -6.5334 3  320.8794284  595161404351719 3    341816 3      C-13-H3C(O)CH3
  220643.4721  0.0088 -5.0432 3  626.7694396  595161404492227 3    492128 3      C-13-H3C(O)CH3
  220643.5065  0.0088 -5.0432 3  626.7694396  595161404492327 3    492228 3      C-13-H3C(O)CH3
  220643.5622  0.0089 -5.0432 3  626.7693396  595161404492227 4    492128 4      C-13-H3C(O)CH3
  220643.5964  0.0089 -5.0432 3  626.7693396  595161404492327 4    492228 4      C-13-H3C(O)CH3
  220648.9958  0.0213 -5.1406 3  496.9896632  5951614043937 3 1    3936 4 1      C-13-H3C(O)CH3
  220681.7316  0.0235 -5.4414 3  497.0018316  5951614043937 2 3    3936 3 3      C-13-H3C(O)CH3
  220700.3823  0.0052 -5.2269 3  117.2628344  595161404211210 2    2013 7 2      C-13-H3C(O)CH3
  220703.8769  0.0195 -5.1405 3  497.0284632  5951614043937 2 2    3936 3 2      C-13-H3C(O)CH3
  220704.5892  0.0072 -6.2300 3  320.9283568  595161404351719 0    341816 0      C-13-H3C(O)CH3
  220718.4190  0.0085 -6.2296 3  320.9004568  595161404351719 2    341816 2      C-13-H3C(O)CH3
  220732.6504  0.0236 -5.4412 3  496.9798316  5951614043937 3 3    3936 4 3      C-13-H3C(O)CH3
  220801.8076  0.0058 -5.9109 3  124.6154344  5951614042115 7 0    211210 0      C-13-H3C(O)CH3
  220805.8256  0.0049 -6.5154 3   13.3517136  595161404 8 6 2 2     7 3 5 2      C-13-H3C(O)CH3
  220806.1849  0.0112 -5.6223 3  109.4959164  5951614042013 8 4    1914 6 4      C-13-H3C(O)CH3
  220817.6507  0.0088 -6.2171 3  104.8962312  5951614041915 5 0    1912 8 0      C-13-H3C(O)CH3
  220820.0612  0.0047 -6.5208 3   13.3523136  595161404 8 6 2 1     7 3 5 1      C-13-H3C(O)CH3
  220821.3922  0.0038 -4.7213 3  367.7336316 -595161404391426 3    391327 3      C-13-H3C(O)CH3
  220821.3922  0.0038 -4.7212 3  367.7336316 -595161404391326 3    391227 3      C-13-H3C(O)CH3
  220821.3922  0.0039 -4.7212 3  367.7336316 -595161404391426 4    391327 4      C-13-H3C(O)CH3
  220821.3922  0.0039 -4.7212 3  367.7336316 -595161404391326 4    391227 4      C-13-H3C(O)CH3
  220826.5157  0.0028 -5.2230 3  117.2494344  595161404211210 0    2013 7 0      C-13-H3C(O)CH3
  220840.7278  0.0038 -4.4201 3  367.7599632 -595161404391326 2    391227 2      C-13-H3C(O)CH3
  220840.7278  0.0038 -4.4200 3  367.7599632 -595161404391426 2    391327 2      C-13-H3C(O)CH3
  220846.0723  0.0038 -4.4202 3  367.7612632 -595161404391326 1    391227 1      C-13-H3C(O)CH3
  220846.0723  0.0038 -4.4202 3  367.7612632 -595161404391426 1    391327 1      C-13-H3C(O)CH3
  220865.2801  0.0032 -4.4201 3  367.7875632 -595161404391326 0    391227 0      C-13-H3C(O)CH3
  220865.2801  0.0032 -4.4208 3  367.7875632 -595161404391426 0    391327 0      C-13-H3C(O)CH3
  220865.3178  0.0032 -7.1623 3  367.7875632  595161404391326 0    391327 0      C-13-H3C(O)CH3
  220872.8752  0.0197 -5.1402 3  497.0471632  5951614043937 2 1    3936 3 1      C-13-H3C(O)CH3
  220898.4659  0.0048 -6.8649 3   13.4200 68  595161404 8 6 2 4     7 3 5 4      C-13-H3C(O)CH3
  220923.1608  0.0139 -5.5329 3  239.0723472  5951614042920 9 0    291712 0      C-13-H3C(O)CH3
  220943.5663  0.0049 -6.4946 3   13.2841136  595161404 8 6 2 0     7 3 5 0      C-13-H3C(O)CH3
  220956.9477  0.0241 -5.4408 3  497.0372316  5951614043937 2 4    3936 3 4      C-13-H3C(O)CH3
  220973.8831  0.0145 -5.5456 3  239.0530472  5951614042920 9 2    291712 2      C-13-H3C(O)CH3
  221134.7534  0.0127 -6.5584 3  104.9127312  5951614041915 4 1    1912 8 1      C-13-H3C(O)CH3
  221246.4677  0.0017 -4.1297 3   75.6312156 -59516140419 515 4    18 414 4      C-13-H3C(O)CH3
  221246.4677  0.0017 -4.1297 3   75.6312156 -59516140419 415 3    18 514 3      C-13-H3C(O)CH3
  221246.4677  0.0017 -4.1297 3   75.6312156 -59516140419 515 3    18 414 3      C-13-H3C(O)CH3
  221246.4677  0.0017 -4.1297 3   75.6312156 -59516140419 415 4    18 514 4      C-13-H3C(O)CH3
  221302.3900  0.0123 -6.5538 3  104.9109312  5951614041915 4 2    1912 8 2      C-13-H3C(O)CH3
  221303.0938  0.0018 -3.8285 3   75.5901312 -59516140419 415 1    18 514 1      C-13-H3C(O)CH3
  221303.0938  0.0018 -3.8285 3   75.5901312 -59516140419 515 1    18 414 1      C-13-H3C(O)CH3
  221303.7044  0.0018 -3.8285 3   75.5894312 -59516140419 515 2    18 414 2      C-13-H3C(O)CH3
  221303.7044  0.0018 -3.8285 3   75.5894312 -59516140419 415 2    18 514 2      C-13-H3C(O)CH3
  221325.6386  0.7222 -6.8166 3 1347.3150556  595161404694624 4    694524 4      C-13-H3C(O)CH3
  221327.6151  0.3577 -6.8477 3 1807.0923D04  595161404814834 2    814735 2      C-13-H3C(O)CH3
  221342.8430  0.4628 -6.8476 3 1807.0915D04  595161404814834 0    814735 0      C-13-H3C(O)CH3
  221360.2241  0.0017 -3.8283 3   75.5484312 -59516140419 515 0    18 414 0      C-13-H3C(O)CH3
  221360.2241  0.0017 -3.8283 3   75.5484312 -59516140419 415 0    18 514 0      C-13-H3C(O)CH3
  221379.3934  0.0188 -5.3001 3  603.1177356  5951614044438 7 4    4437 8 4      C-13-H3C(O)CH3
  221395.7361  0.0142 -4.9993 3  603.1394712  5951614044438 7 2    4437 8 2      C-13-H3C(O)CH3
  221398.9241  0.2804 -7.1485 3 1807.0889652  595161404814834 3    814735 3      C-13-H3C(O)CH3
  221399.8081  0.2824 -7.1485 3 1807.0889652  595161404814834 4    814735 4      C-13-H3C(O)CH3
  221415.3180  0.4386 -6.8474 3 1807.0882D04  595161404814834 1    814735 1      C-13-H3C(O)CH3
  221456.6297  0.0237 -5.2722 3  478.7083616  5951614043837 2 2    3836 3 2      C-13-H3C(O)CH3
  221465.1323  0.0180 -5.3000 3  603.1377356  5951614044438 7 3    4437 8 3      C-13-H3C(O)CH3
  221481.4527  0.4016 -6.4173 3 1347.2836B12  595161404694624 1    694524 1      C-13-H3C(O)CH3
  221482.8556  0.0137 -4.9991 3  603.1593712  5951614044438 6 2    4437 7 2      C-13-H3C(O)CH3
  221485.1980  0.0038 -4.8406 3  344.2789308  595161404381326 4    381127 4      C-13-H3C(O)CH3
  221485.1980  0.0038 -4.8405 3  344.2789308  595161404381226 4    381227 4      C-13-H3C(O)CH3
  221485.2596  0.0037 -6.4643 3  344.2789308 -595161404381326 3    381227 3      C-13-H3C(O)CH3
  221485.2596  0.0038 -5.2662 3  344.2789308 -595161404381326 4    381227 4      C-13-H3C(O)CH3
  221485.2596  0.0038 -5.2664 3  344.2789308 -595161404381226 4    381127 4      C-13-H3C(O)CH3
  221485.2596  0.0037 -6.4630 3  344.2789308 -595161404381226 3    381127 3      C-13-H3C(O)CH3
  221485.3812  0.0037 -4.7098 3  344.2789308  595161404381226 3    381227 3      C-13-H3C(O)CH3
  221485.3812  0.0037 -4.7098 3  344.2789308  595161404381326 3    381127 3      C-13-H3C(O)CH3
  221498.8779  0.5637 -6.5645 3 1347.2745B12  595161404694624 2    694524 2      C-13-H3C(O)CH3
  221508.9830  0.0301 -5.5728 3  478.6550308  5951614043837 2 4    3836 3 4      C-13-H3C(O)CH3
  221513.2194  0.0170 -5.3000 3  603.1560356  5951614044438 6 3    4437 7 3      C-13-H3C(O)CH3
  221523.0181  0.0037 -4.4087 3  344.3031616 -595161404381226 2    381227 2      C-13-H3C(O)CH3
  221523.0340  0.0037 -6.1504 3  344.3031616  595161404381326 2    381227 2      C-13-H3C(O)CH3
  221523.0340  0.0037 -4.4012 3  344.3031616  595161404381226 2    381127 2      C-13-H3C(O)CH3
  221525.6601  0.0154 -4.9989 3  603.1257712  5951614044438 7 1    4437 8 1      C-13-H3C(O)CH3
  221528.2160  0.0038 -4.4120 3  344.3043616  595161404381326 1    381127 1      C-13-H3C(O)CH3
  221528.2160  0.0038 -4.4119 3  344.3043616  595161404381226 1    381227 1      C-13-H3C(O)CH3
  221528.2268  0.0038 -6.0056 3  344.3043616 -595161404381226 1    381127 1      C-13-H3C(O)CH3
  221528.2268  0.0038 -6.0041 3  344.3043616 -595161404381326 1    381227 1      C-13-H3C(O)CH3
  221542.9701  0.0136 -4.9991 3  603.1473712  5951614044438 6 0    4437 7 0      C-13-H3C(O)CH3
  221542.9701  0.0136 -4.9991 3  603.1473712  5951614044438 7 0    4437 8 0      C-13-H3C(O)CH3
  221565.7827  0.0032 -5.8676 3  344.3285616 -595161404381226 0    381127 0      C-13-H3C(O)CH3
  221565.7827  0.0032 -5.8692 3  344.3285616 -595161404381326 0    381227 0      C-13-H3C(O)CH3
  221565.8135  0.0032 -4.4159 3  344.3285616  595161404381226 0    381227 0      C-13-H3C(O)CH3
  221565.8135  0.0032 -4.4159 3  344.3285616  595161404381326 0    381127 0      C-13-H3C(O)CH3
  221577.5772  0.0161 -7.1861 3  590.1171388  595161404482028 4    472325 4      C-13-H3C(O)CH3
  221577.6819  0.0161 -7.1861 3  590.1172388  595161404482028 3    472325 3      C-13-H3C(O)CH3
  221578.2124  0.0161 -7.1861 3  590.1171388  595161404482128 4    472225 4      C-13-H3C(O)CH3
  221578.3205  0.0161 -7.1861 3  590.1171388  595161404482128 3    472225 3      C-13-H3C(O)CH3
  221586.2789  0.8817 -7.0670 3 1917.2144D36  595161404835232 2    835133 2      C-13-H3C(O)CH3
  221599.7589  0.0167 -5.2998 3  603.1757356  5951614044438 6 4    4437 7 4      C-13-H3C(O)CH3
  221605.7800  0.0141 -6.8860 3  590.1352776  595161404482028 1    472325 1      C-13-H3C(O)CH3
  221606.3603  0.0141 -6.8860 3  590.1352776  595161404482128 1    472225 1      C-13-H3C(O)CH3
  221623.3303  0.0158 -6.8843 3  590.1335776  595161404482028 2    472325 2      C-13-H3C(O)CH3
  221623.9235  0.0158 -6.8843 3  590.1335776  595161404482128 2    472225 2      C-13-H3C(O)CH3
  221637.5444  0.0177 -6.8835 3  104.9263156  5951614041915 4 4    1912 8 4      C-13-H3C(O)CH3
  221644.8092  0.0213 -5.2720 3  478.7629616  5951614043837 2 0    3836 3 0      C-13-H3C(O)CH3
  221644.8092  0.0213 -5.2720 3  478.7629616  5951614043837 1 0    3836 2 0      C-13-H3C(O)CH3
  221651.3234  0.0115 -6.8854 3  590.1515776  595161404482028 0    472325 0      C-13-H3C(O)CH3
  221651.8626  0.0115 -6.8854 3  590.1515776  595161404482128 0    472225 0      C-13-H3C(O)CH3
  221657.9958  0.0094 -6.6704 3  376.4397308  595161404381721 4    372018 4      C-13-H3C(O)CH3
  221658.1192  0.0094 -6.6704 3  376.4397308  595161404381721 3    372018 3      C-13-H3C(O)CH3
  221660.6093  0.6289 -7.0663 3 1917.2199D36  595161404835232 0    835133 0      C-13-H3C(O)CH3
  221660.9023  0.0138 -4.9987 3  603.1638712  5951614044438 6 1    4437 7 1      C-13-H3C(O)CH3
  221664.2087  0.0092 -6.3699 3  376.4683616  595161404381721 1    372018 1      C-13-H3C(O)CH3
  221696.5358  0.0251 -5.2716 3  478.7094616  5951614043837 2 1    3836 3 1      C-13-H3C(O)CH3
  221699.9104  0.2134 -6.0134 3 1347.2433B12  595161404694623 0    694524 0      C-13-H3C(O)CH3
  221721.9720  0.0094 -6.3672 3  376.4635616  595161404381721 2    372018 2      C-13-H3C(O)CH3
  221727.7357  0.0080 -6.3678 3  376.4921616  595161404381721 0    372018 0      C-13-H3C(O)CH3
  221742.6886  0.0283 -5.5724 3  478.7178308  5951614043837 1 3    3836 2 3      C-13-H3C(O)CH3
  221750.0985  0.0144 -5.0240 3  806.7906888  595161404552728 0    552629 0      C-13-H3C(O)CH3
  221751.5493  0.0144 -5.0240 3  806.7906888  595161404552828 0    552729 0      C-13-H3C(O)CH3
  221767.6065  0.0206 -5.0239 3  806.7913888  595161404552728 2    552629 2      C-13-H3C(O)CH3
  221767.9962  0.0157 -5.0239 3  806.7913888  595161404552728 1    552629 1      C-13-H3C(O)CH3
  221769.1919  0.0205 -5.0239 3  806.7913888  595161404552828 2    552729 2      C-13-H3C(O)CH3
  221769.5955  0.0157 -5.0239 3  806.7913888  595161404552828 1    552729 1      C-13-H3C(O)CH3
  221776.2414  0.0238 -5.2715 3  478.7496616  5951614043837 1 2    3836 2 2      C-13-H3C(O)CH3
  221785.5317  0.0213 -5.3248 3  806.7920444  595161404552728 3    552629 3      C-13-H3C(O)CH3
  221785.6217  0.0214 -5.3247 3  806.7920444  595161404552728 4    552629 4      C-13-H3C(O)CH3
  221787.2792  0.0212 -5.3247 3  806.7920444  595161404552828 3    552729 3      C-13-H3C(O)CH3
  221787.3616  0.0214 -5.3247 3  806.7920444  595161404552828 4    552729 4      C-13-H3C(O)CH3
  221788.0966  0.0201 -7.1376 3  137.9816360  5951614042216 7 1    2117 4 1      C-13-H3C(O)CH3
  221788.5510  0.2769 -6.3227 3 1347.3148556  595161404694623 3    694524 3      C-13-H3C(O)CH3
  221796.8587  0.0089 -6.5022 3  124.6283344  5951614042115 6 1    211210 1      C-13-H3C(O)CH3
  221827.3009  0.0284 -5.5721 3  478.6962308  5951614043837 2 3    3836 3 3      C-13-H3C(O)CH3
  221852.0690  0.4368 -6.5475 3 1169.6343516  595161404644421 4    644321 4      C-13-H3C(O)CH3
  221853.1078  0.0088 -6.5707 3  124.6246344  5951614042115 6 2    211210 2      C-13-H3C(O)CH3
  221857.9547  0.6255 -7.0657 3 1917.2292D36  595161404835232 1    835133 1      C-13-H3C(O)CH3
  221868.5439  0.0880 -5.9200 3 1149.5229524  595161404653530 3    653431 3      C-13-H3C(O)CH3
  221868.5904  0.0880 -5.9200 3 1149.5229524  595161404653530 4    653431 4      C-13-H3C(O)CH3
  221869.7610  0.0055 -4.6964 3  597.5450776  595161404482127 0    482028 0      C-13-H3C(O)CH3
  221869.7695  0.0055 -4.6964 3  597.5450776  595161404482227 0    482128 0      C-13-H3C(O)CH3
  221906.9122  0.0197 -6.9599 3  137.9890360  5951614042216 7 2    2117 4 2      C-13-H3C(O)CH3
  221907.0765  0.3222 -6.2313 3 1347.2836B12  595161404694623 1    694524 1      C-13-H3C(O)CH3
  221910.9237  0.0075 -4.6961 3  597.5260776  595161404482127 2    482028 2      C-13-H3C(O)CH3
  221910.9334  0.0075 -4.6961 3  597.5260776  595161404482227 2    482128 2      C-13-H3C(O)CH3
  221911.0609  0.0739 -5.6188 3 1149.5073A48  595161404653530 1    653431 1      C-13-H3C(O)CH3
  221914.5117  0.0060 -4.6961 3  597.5272776  595161404482127 1    482028 1      C-13-H3C(O)CH3
  221914.5212  0.0060 -4.6961 3  597.5272776  595161404482227 1    482128 1      C-13-H3C(O)CH3
  221922.2101  0.4505 -6.4783 3 1347.2951556  595161404694624 4    694525 4      C-13-H3C(O)CH3
  221923.3727  0.2517 -6.1564 3 1347.2745B12  595161404694623 2    694524 2      C-13-H3C(O)CH3
  221924.2228  0.0878 -5.6188 3 1149.5099A48  595161404653530 2    653431 2      C-13-H3C(O)CH3
  221930.1937  0.2230 -6.1510 3 1169.6317516  595161404644421 4    644322 4      C-13-H3C(O)CH3
  221932.2072  0.0238 -5.2712 3  478.7724616  5951614043837 1 1    3836 2 1      C-13-H3C(O)CH3
  221934.7460  0.0079 -5.4934 3  233.5879472  595161404291811 0    291514 0      C-13-H3C(O)CH3
  221936.3823  0.0086 -6.0832 3  269.5440520  595161404321617 1    311714 1      C-13-H3C(O)CH3
  221943.8133  0.0095 -5.4940 3  233.5695472  595161404291811 2    291514 2      C-13-H3C(O)CH3
  221944.6006  0.0094 -6.3841 3  269.5201260  595161404321617 4    311714 4      C-13-H3C(O)CH3
  221951.3960  0.0099 -6.3841 3  269.5199260  595161404321617 3    311714 3      C-13-H3C(O)CH3
  221955.7519  0.0077 -4.9968 3  597.5082388  595161404482127 3    482028 3      C-13-H3C(O)CH3
  221955.7627  0.0077 -4.9968 3  597.5082388  595161404482227 3    482128 3      C-13-H3C(O)CH3
  221955.8307  0.0077 -4.9968 3  597.5082388  595161404482127 4    482028 4      C-13-H3C(O)CH3
  221955.8414  0.0077 -4.9968 3  597.5082388  595161404482227 4    482128 4      C-13-H3C(O)CH3
  221964.8756  0.2570 -6.5080 3 1629.5521C40  595161404774533 2    774434 2      C-13-H3C(O)CH3
  221966.3868  0.0735 -5.6187 3 1149.4943A48  595161404653530 0    653431 0      C-13-H3C(O)CH3
  221970.3552  0.3092 -6.2934 3 1169.5913A32  595161404644421 1    644321 1      C-13-H3C(O)CH3
  221971.0210  0.2422 -6.8090 3 1629.5536620  595161404774533 3    774434 3      C-13-H3C(O)CH3
  221971.0644  0.2437 -6.8090 3 1629.5536620  595161404774533 4    774434 4      C-13-H3C(O)CH3
  221983.4757  0.2998 -6.5079 3 1629.5456C40  595161404774533 0    774434 0      C-13-H3C(O)CH3
  221984.2526  0.0093 -6.3685 3  376.4577616  595161404381821 1    371918 1      C-13-H3C(O)CH3
  221987.9328  0.0096 -6.6690 3  376.4287308  595161404381821 4    371918 4      C-13-H3C(O)CH3
  221988.6619  0.0096 -6.6690 3  376.4287308  595161404381821 3    371918 3      C-13-H3C(O)CH3
  221989.8782  0.2941 -6.5079 3 1629.5472C40  595161404774533 1    774434 1      C-13-H3C(O)CH3
  221992.8697  0.6439 -6.5309 3 1619.4362C24  595161404764928 2    764829 2      C-13-H3C(O)CH3
  222018.8193  0.0273 -5.4494 3  802.1665420  595161404524012 4    523913 4      C-13-H3C(O)CH3
  222032.6844  0.3439 -6.5071 3 1619.4258C24  595161404764928 0    764829 0      C-13-H3C(O)CH3
  222035.2634  0.8705 -6.8583 3 1619.4631612  595161404764928 4    764829 4      C-13-H3C(O)CH3
  222046.7266  0.0081 -6.3664 3  376.4815616  595161404381821 0    371918 0      C-13-H3C(O)CH3
  222047.6191  0.0026 -4.4490 3   37.6903100  59516140412 9 3 3    11 8 4 3      C-13-H3C(O)CH3
  222051.3453  0.0095 -6.3658 3  376.4526616  595161404381821 2    371918 2      C-13-H3C(O)CH3
  222051.6707  0.1799 -5.8319 3 1169.5886A32  595161404644421 1    644322 1      C-13-H3C(O)CH3
  222060.2008  0.3875 -6.2304 3 1347.2643B12  595161404694624 1    694525 1      C-13-H3C(O)CH3
  222063.7989  0.0297 -5.5717 3  478.7590308  5951614043837 1 4    3836 2 4      C-13-H3C(O)CH3
  222069.6152  0.2382 -5.9779 3 1169.5894A32  595161404644421 2    644321 2      C-13-H3C(O)CH3
  222070.6787  0.0139 -6.9275 3   39.3747100  5951614041210 3 4    11 9 2 4      C-13-H3C(O)CH3
  222074.5637  0.0816 -5.9192 3 1149.5240524  595161404653630 4    653531 4      C-13-H3C(O)CH3
  222074.7181  0.0813 -5.9192 3 1149.5239524  595161404653630 3    653531 3      C-13-H3C(O)CH3
  222078.1470  0.0230 -5.4491 3  802.1530420  595161404524013 3    523914 3      C-13-H3C(O)CH3
  222094.0085  0.0038 -5.5613 3  321.4098300  595161404371126 4    371127 4      C-13-H3C(O)CH3
  222094.0085  0.0038 -5.5783 3  321.4098300  595161404371226 4    371027 4      C-13-H3C(O)CH3
  222094.0927  0.0036 -5.5370 3  321.4098300 -595161404371226 3    371027 3      C-13-H3C(O)CH3
  222094.0927  0.0036 -4.7254 3  321.4098300 -595161404371126 3    371127 3      C-13-H3C(O)CH3
  222094.0927  0.0038 -4.7472 3  321.4098300 -595161404371226 4    371127 4      C-13-H3C(O)CH3
  222094.0927  0.0038 -4.7498 3  321.4098300 -595161404371126 4    371027 4      C-13-H3C(O)CH3
  222094.2169  0.0036 -4.7539 3  321.4098300  595161404371126 3    371027 3      C-13-H3C(O)CH3
  222094.2169  0.0036 -5.7669 3  321.4098300  595161404371226 3    371127 3      C-13-H3C(O)CH3
  222095.4660  0.0203 -5.1481 3  802.1340840  595161404524012 2    523913 2      C-13-H3C(O)CH3
  222099.8426  0.3671 -6.1555 3 1347.2545B12  595161404694624 2    694525 2      C-13-H3C(O)CH3
  222102.3077  0.0070 -6.0797 3  269.5583520  595161404321617 0    311714 0      C-13-H3C(O)CH3
  222109.1346  0.0731 -5.6181 3 1149.5083A48  595161404653630 1    653531 1      C-13-H3C(O)CH3
  222113.3060  0.0218 -6.9604 3  117.2846164  5951614042016 5 4    2013 7 4      C-13-H3C(O)CH3
  222116.6290  0.0083 -6.0795 3  269.5342520  595161404321617 2    311714 2      C-13-H3C(O)CH3
  222117.0331  0.0807 -5.6181 3 1149.5109A48  595161404653630 2    653531 2      C-13-H3C(O)CH3
  222137.9173  0.4327 -6.5160 3 1619.4525C24  595161404764928 1    764829 1      C-13-H3C(O)CH3
  222140.3212  0.1556 -6.1949 3 1300.7130556  595161404693831 3    693732 3      C-13-H3C(O)CH3
  222140.3791  0.1554 -6.1949 3 1300.7130556  595161404693831 4    693732 4      C-13-H3C(O)CH3
  222141.8746  0.2707 -6.0314 3 1169.5870A32  595161404644421 2    644322 2      C-13-H3C(O)CH3
  222147.8045  0.3899 -6.7353 3 1169.6343516  595161404644421 3    644321 3      C-13-H3C(O)CH3
  222151.5606  0.0726 -5.6180 3 1149.4952A48  595161404653630 0    653531 0      C-13-H3C(O)CH3
  222152.8741  0.0036 -7.1468 3  321.4310600  595161404371226 2    371127 2      C-13-H3C(O)CH3
  222152.8741  0.0036 -4.3864 3  321.4310600  595161404371126 2    371127 2      C-13-H3C(O)CH3
  222152.8741  0.0036 -4.3862 3  321.4310600  595161404371226 2    371027 2      C-13-H3C(O)CH3
  222153.7777  0.0097 -5.4967 3  233.5757472  595161404291811 1    291514 1      C-13-H3C(O)CH3
  222154.9258  0.0113 -5.7982 3  233.5573236  595161404291811 4    291514 4      C-13-H3C(O)CH3
  222157.8445  0.0037 -4.3962 3  321.4321600 -595161404371226 1    371127 1      C-13-H3C(O)CH3
  222157.8445  0.0037 -4.3983 3  321.4321600 -595161404371126 1    371027 1      C-13-H3C(O)CH3
  222157.8867  0.0037 -5.9463 3  321.4321600  595161404371126 1    371127 1      C-13-H3C(O)CH3
  222157.8867  0.0037 -6.0275 3  321.4321600  595161404371226 1    371027 1      C-13-H3C(O)CH3
  222163.8194  0.3095 -6.4779 3 1347.3150556  595161404694623 4    694524 4      C-13-H3C(O)CH3
  222171.3715  0.5074 -6.8131 3 1619.4625612  595161404764928 3    764829 3      C-13-H3C(O)CH3
  222174.0959  0.0134 -5.7984 3  233.5572236  595161404291811 3    291514 3      C-13-H3C(O)CH3
  222192.8178  0.0228 -5.4489 3  802.1584420  595161404524012 3    523913 3      C-13-H3C(O)CH3
  222193.1332  0.1290 -5.7025 3 1169.5465A32  595161404644420 0    644321 0      C-13-H3C(O)CH3
  222196.4228  0.0124 -6.6832 3  124.6374172  5951614042115 6 4    211210 4      C-13-H3C(O)CH3
  222198.0171  0.1294 -5.8936 3 1300.6980B12  595161404693831 1    693732 1      C-13-H3C(O)CH3
  222198.5011  0.0194 -5.1478 3  802.1247840  595161404524012 1    523913 1      C-13-H3C(O)CH3
  222203.9994  0.2072 -6.0114 3 1347.2237B12  595161404694624 0    694525 0      C-13-H3C(O)CH3
  222216.4136  0.0032 -4.3905 3  321.4533600 -595161404371226 0    371127 0      C-13-H3C(O)CH3
  222216.4136  0.0032 -4.3901 3  321.4533600 -595161404371126 0    371027 0      C-13-H3C(O)CH3
  222216.4501  0.0032 -6.3640 3  321.4533600  595161404371226 0    371027 0      C-13-H3C(O)CH3
  222216.4501  0.0032 -6.3988 3  321.4533600  595161404371126 0    371127 0      C-13-H3C(O)CH3
  222226.9883  0.1642 -6.0927 3 1169.6343516  595161404644420 3    644321 3      C-13-H3C(O)CH3
  222227.9787  0.0033 -5.3803 3   23.5663 84  59516140410 7 4 4     9 4 5 4      C-13-H3C(O)CH3
  222229.0273  0.1575 -5.8935 3 1300.7018B12  595161404693831 2    693732 2      C-13-H3C(O)CH3
  222232.4160  0.1543 -6.0927 3 1169.6315516  595161404644421 3    644322 3      C-13-H3C(O)CH3
  222251.3747  0.0211 -5.4486 3  802.1448420  595161404524013 4    523914 4      C-13-H3C(O)CH3
  222256.9960  0.0183 -5.1476 3  802.1112840  595161404524013 1    523914 1      C-13-H3C(O)CH3
  222257.4442  0.1285 -5.7022 3 1169.5441A32  595161404644421 0    644322 0      C-13-H3C(O)CH3
  222268.4527  0.0187 -5.1476 3  802.1259840  595161404524013 2    523914 2      C-13-H3C(O)CH3
  222274.4120  0.0174 -5.1476 3  802.0922840  595161404524012 0    523913 0      C-13-H3C(O)CH3
  222274.4301  0.0174 -5.1476 3  802.0922840  595161404524013 0    523914 0      C-13-H3C(O)CH3
  222286.1540  0.1301 -5.8933 3 1300.6869B12  595161404693831 0    693732 0      C-13-H3C(O)CH3
  222287.2120  0.5805 -7.2026 3 1993.3182D68  595161404855135 2    855036 2      C-13-H3C(O)CH3
  222297.4585  0.0019 -4.0672 3   78.6357164 -59516140420 317 4    19 416 4      C-13-H3C(O)CH3
  222297.4585  0.0019 -4.0672 3   78.6357164 -59516140420 417 3    19 316 3      C-13-H3C(O)CH3
  222297.4585  0.0019 -4.0672 3   78.6357164 -59516140420 417 4    19 316 4      C-13-H3C(O)CH3
  222297.4585  0.0019 -4.0672 3   78.6357164 -59516140420 317 3    19 416 3      C-13-H3C(O)CH3
  222297.8099  0.1968 -6.3208 3 1347.2951556  595161404694624 3    694525 3      C-13-H3C(O)CH3
  222311.5998  0.4246 -6.7347 3 1169.6315516  595161404644420 3    644322 3      C-13-H3C(O)CH3
  222329.2948  0.7124 -7.2025 3 1993.3230D68  595161404855135 0    855036 0      C-13-H3C(O)CH3
  222343.1675  0.0020 -3.7660 3   78.5901328 -59516140420 417 1    19 316 1      C-13-H3C(O)CH3
  222343.1675  0.0020 -3.7660 3   78.5901328 -59516140420 317 1    19 416 1      C-13-H3C(O)CH3
  222343.5360  0.0019 -3.7661 3   78.5895328 -59516140420 317 2    19 416 2      C-13-H3C(O)CH3
  222343.5360  0.0019 -3.7661 3   78.5895328 -59516140420 417 2    19 316 2      C-13-H3C(O)CH3
  222347.3119  0.1411 -5.8311 3 1169.5913A32  595161404644420 1    644321 1      C-13-H3C(O)CH3
  222369.3245  0.2033 -6.0308 3 1169.5894A32  595161404644420 2    644321 2      C-13-H3C(O)CH3
  222377.8057  0.0195 -5.3441 3  698.5761388  595161404483910 3    483811 3      C-13-H3C(O)CH3
  222381.0216  0.0024 -4.1391 3   37.5992200 -59516140412 9 3 0    11 8 4 0      C-13-H3C(O)CH3
  222389.0984  0.0018 -3.7659 3   78.5440328 -59516140420 417 0    19 316 0      C-13-H3C(O)CH3
  222389.0984  0.0018 -3.7659 3   78.5440328 -59516140420 317 0    19 416 0      C-13-H3C(O)CH3
  222391.4025  0.0176 -7.0998 3  272.1984504  595161404312111 1    311813 1      C-13-H3C(O)CH3
  222395.3509  0.0279 -5.5293 3  460.9234600  5951614043737 1 2    3736 2 2      C-13-H3C(O)CH3
  222407.7118  0.0162 -5.0432 3  698.5762776  5951614044839 9 2    483810 2      C-13-H3C(O)CH3
  222422.5994  0.0211 -5.3442 3  698.6005388  5951614044839 9 4    483810 4      C-13-H3C(O)CH3
  222428.6274  0.2571 -6.2920 3 1169.5886A32  595161404644420 1    644322 1      C-13-H3C(O)CH3
  222429.3053  0.0184 -5.3440 3  698.5638388  595161404483910 4    483811 4      C-13-H3C(O)CH3
  222441.5839  0.1738 -5.9768 3 1169.5870A32  595161404644420 2    644322 2      C-13-H3C(O)CH3
  222458.3220  0.0154 -5.0430 3  698.5640776  595161404483910 2    483811 2      C-13-H3C(O)CH3
  222471.4837  0.6461 -7.2020 3 1993.3170D68  595161404855135 1    855036 1      C-13-H3C(O)CH3
  222471.7407  0.0348 -5.8299 3  460.8655300  5951614043737 1 4    3736 2 4      C-13-H3C(O)CH3
  222474.2487  0.0193 -5.3440 3  698.5885388  5951614044839 9 3    483810 3      C-13-H3C(O)CH3
  222485.8247  0.3265 -6.4139 3 1347.2643B12  595161404694623 1    694525 1      C-13-H3C(O)CH3
  222515.0638  0.0161 -5.0428 3  698.5476776  595161404483910 1    483811 1      C-13-H3C(O)CH3
  222524.3374  0.4047 -6.5609 3 1347.2545B12  595161404694623 2    694525 2      C-13-H3C(O)CH3
  222528.5209  0.1483 -6.1494 3 1169.6343516  595161404644420 4    644321 4      C-13-H3C(O)CH3
  222541.2960  0.0035 -5.3663 3   23.5659 84  59516140410 7 4 3     9 4 5 3      C-13-H3C(O)CH3
  222544.8609  0.0152 -5.0429 3  698.5478776  5951614044839 9 0    483810 0      C-13-H3C(O)CH3
  222544.8611  0.0152 -5.0429 3  698.5478776  595161404483910 0    483811 0      C-13-H3C(O)CH3
  222560.7698  0.0168 -5.0428 3  698.5722776  5951614044839 9 1    483810 1      C-13-H3C(O)CH3
  222569.0448  0.4307 -6.7246 3 1584.5700612  595161404764333 3    764234 3      C-13-H3C(O)CH3
  222569.0653  0.4295 -6.7246 3 1584.5700612  595161404764333 4    764234 4      C-13-H3C(O)CH3
  222576.9615  0.0248 -5.5292 3  460.9872600  5951614043737 1 0    3736 2 0      C-13-H3C(O)CH3
  222576.9615  0.0248 -5.5292 3  460.9872600  5951614043737 0 0    3736 1 0      C-13-H3C(O)CH3
  222606.6455  0.3421 -6.5453 3 1169.6317516  595161404644420 4    644322 4      C-13-H3C(O)CH3
  222612.3854  0.3512 -6.4234 3 1584.5621C24  595161404764333 1    764234 1      C-13-H3C(O)CH3
  222651.3610  0.0039 -6.9262 3  299.1277292  595161404361026 4    361027 4      C-13-H3C(O)CH3
  222651.3610  0.0039 -6.9262 3  299.1277292  595161404361126 4    36 927 4      C-13-H3C(O)CH3
  222651.4366  0.0036 -5.6629 3  299.1277292 -595161404361026 3    36 927 3      C-13-H3C(O)CH3
  222651.4366  0.0039 -4.6800 3  299.1277292 -595161404361126 4    361027 4      C-13-H3C(O)CH3
  222651.4366  0.0039 -4.6800 3  299.1277292 -595161404361026 4    36 927 4      C-13-H3C(O)CH3
  222651.4366  0.0036 -5.4883 3  299.1277292 -595161404361126 3    361027 3      C-13-H3C(O)CH3
  222651.5869  0.0036 -4.7249 3  299.1277292  595161404361026 3    361027 3      C-13-H3C(O)CH3
  222651.5869  0.0036 -4.7505 3  299.1277292  595161404361126 3    36 927 3      C-13-H3C(O)CH3
  222652.8670  0.0295 -5.5287 3  460.9292600  5951614043737 1 1    3736 2 1      C-13-H3C(O)CH3
  222708.3451  0.0039 -5.0697 3   23.5057168  59516140410 7 4 1     9 4 5 1      C-13-H3C(O)CH3
  222714.2172  0.0341 -5.8294 3  460.9338300  5951614043737 0 3    3736 1 3      C-13-H3C(O)CH3
  222720.9607  0.4514 -6.4231 3 1584.5682C24  595161404764333 2    764234 2      C-13-H3C(O)CH3
  222733.8942  0.0036 -6.1892 3  299.1449584 -595161404361026 2    36 927 2      C-13-H3C(O)CH3
  222733.8942  0.0036 -6.1892 3  299.1449584 -595161404361126 2    361027 2      C-13-H3C(O)CH3
  222733.9264  0.0036 -4.3828 3  299.1449584  595161404361126 2    36 927 2      C-13-H3C(O)CH3
  222733.9264  0.0036 -4.3828 3  299.1449584  595161404361026 2    361027 2      C-13-H3C(O)CH3
  222735.3985  0.1857 -6.4892 3 1460.7456588  595161404734232 4    734133 4      C-13-H3C(O)CH3
  222735.6436  0.1849 -6.4892 3 1460.7456588  595161404734232 3    734133 3      C-13-H3C(O)CH3
  222738.7118  0.0036 -5.6456 3  299.1459584  595161404361026 1    361027 1      C-13-H3C(O)CH3
  222738.7118  0.0036 -5.6456 3  299.1459584  595161404361126 1    36 927 1      C-13-H3C(O)CH3
  222738.7261  0.0036 -4.4001 3  299.1459584 -595161404361026 1    36 927 1      C-13-H3C(O)CH3
  222738.7261  0.0036 -4.4001 3  299.1459584 -595161404361126 1    361027 1      C-13-H3C(O)CH3
  222746.9326  0.0160 -6.9261 3   95.6978148  5951614041815 4 4    1812 7 4      C-13-H3C(O)CH3
  222757.9664  0.0292 -5.5285 3  460.9711600  5951614043737 0 2    3736 1 2      C-13-H3C(O)CH3
  222760.3909  0.5382 -6.8118 3 1347.2951556  595161404694623 4    694525 4      C-13-H3C(O)CH3
  222764.0671  0.3584 -6.4229 3 1584.5603C24  595161404764333 0    764234 0      C-13-H3C(O)CH3
  222767.8537  0.1930 -6.1880 3 1460.7339B76  595161404734232 1    734133 1      C-13-H3C(O)CH3
  222770.7789  0.1870 -6.1881 3 1460.7385B76  595161404734232 2    734133 2      C-13-H3C(O)CH3
  222776.1427  0.0060 -4.3352 3   37.6394200 -59516140412 9 3 2    11 8 4 2      C-13-H3C(O)CH3
  222782.6871  0.0045 -5.0700 3   23.5040168  59516140410 7 4 2     9 4 5 2      C-13-H3C(O)CH3
  222803.1620  0.1941 -6.1879 3 1460.7269B76  595161404734232 0    734133 0      C-13-H3C(O)CH3
  222820.9123  0.0033 -4.4025 3  299.1631584  595161404361126 0    36 927 0      C-13-H3C(O)CH3
  222820.9123  0.0033 -4.8337 3  299.1631584  595161404361026 0    36 927 0      C-13-H3C(O)CH3
  222820.9123  0.0033 -4.5617 3  299.1631584  595161404361026 0    361027 0      C-13-H3C(O)CH3
  222820.9123  0.0033 -5.5977 3  299.1631584  595161404361126 0    361027 0      C-13-H3C(O)CH3
  222833.3082  0.0345 -5.8291 3  460.9131300  5951614043737 1 3    3736 2 3      C-13-H3C(O)CH3
  222834.6964  0.0199 -5.3163 3  582.3378348  5951614044338 6 4    4337 7 4      C-13-H3C(O)CH3
  222837.3919  0.0146 -5.0155 3  582.3651696  5951614044338 6 2    4337 7 2      C-13-H3C(O)CH3
  222837.5140  0.0432 -5.6010 3  971.1408484  595161404603129 3    603030 3      C-13-H3C(O)CH3
  222837.5648  0.0433 -5.6010 3  971.1408484  595161404603129 4    603030 4      C-13-H3C(O)CH3
  222849.7782  0.0349 -5.3000 3  971.1296968  595161404603129 1    603030 1      C-13-H3C(O)CH3
  222853.4645  0.0424 -5.3000 3  971.1308968  595161404603129 2    603030 2      C-13-H3C(O)CH3
  222859.1296  0.0426 -5.6009 3  971.1409484  595161404603229 3    603130 3      C-13-H3C(O)CH3
  222859.1303  0.0428 -5.6009 3  971.1409484  595161404603229 4    603130 4      C-13-H3C(O)CH3
  222865.6476  0.0339 -5.3000 3  971.1197968  595161404603129 0    603030 0      C-13-H3C(O)CH3
  222870.0635  0.0350 -5.2999 3  971.1297968  595161404603229 1    603130 1      C-13-H3C(O)CH3
  222873.3336  0.0417 -5.2999 3  971.1309968  595161404603229 2    603130 2      C-13-H3C(O)CH3
  222873.8538  0.1272 -6.1921 3 1300.7173556  595161404693931 4    693832 4      C-13-H3C(O)CH3
  222874.1063  0.1268 -6.1921 3 1300.7172556  595161404693931 3    693832 3      C-13-H3C(O)CH3
  222884.2891  0.0339 -5.2999 3  971.1198968  595161404603229 0    603130 0      C-13-H3C(O)CH3
  222893.9468  0.0059 -4.3712 3   37.6370200 -59516140412 9 3 1    11 8 4 1      C-13-H3C(O)CH3
  222897.2653  0.0286 -5.5283 3  460.9977600  5951614043737 0 1    3736 1 1      C-13-H3C(O)CH3
  222913.5470  0.1216 -5.8910 3 1300.7021B12  595161404693931 1    693832 1      C-13-H3C(O)CH3
  222923.2412  0.1268 -5.8909 3 1300.7058B12  595161404693931 2    693832 2      C-13-H3C(O)CH3
  222934.3699  0.0065 -6.7070 3   75.2647140  59516140417 9 8 3    17 611 3      C-13-H3C(O)CH3
  222957.3644  0.0093 -6.7069 3   75.2647140  59516140417 9 8 4    17 611 4      C-13-H3C(O)CH3
  222962.8916  0.1216 -5.8908 3 1300.6907B12  595161404693931 0    693832 0      C-13-H3C(O)CH3
  222970.1007  0.0182 -5.3160 3  582.3610348  5951614044338 6 3    4337 7 3      C-13-H3C(O)CH3
  222974.2485  0.0139 -5.0152 3  582.3883696  5951614044338 5 2    4337 6 2      C-13-H3C(O)CH3
  222990.6337  0.0173 -5.3161 3  582.3808348  5951614044338 5 3    4337 6 3      C-13-H3C(O)CH3
  222993.2826  0.0069 -6.4012 3   75.2293280  59516140417 9 8 2    17 611 2      C-13-H3C(O)CH3
  222995.0782  0.0157 -5.0151 3  582.3538696  5951614044338 6 1    4337 7 1      C-13-H3C(O)CH3
  222998.6470  0.0136 -5.0153 3  582.3811696  5951614044338 6 0    4337 7 0      C-13-H3C(O)CH3
  222998.6470  0.0136 -5.0153 3  582.3811696  5951614044338 5 0    4337 6 0      C-13-H3C(O)CH3
  223078.9516  0.0365 -5.8287 3  460.9815300  5951614043737 0 4    3736 1 4      C-13-H3C(O)CH3
  223079.7250  0.0085 -5.2708 3  137.9730360  5951614042216 7 0    2117 4 0      C-13-H3C(O)CH3
  223083.5229  0.0050 -4.6524 3  568.8598760  595161404472027 0    471928 0      C-13-H3C(O)CH3
  223083.5254  0.0050 -4.6524 3  568.8598760  595161404472127 0    472028 0      C-13-H3C(O)CH3
  223112.0858  0.0042 -5.0664 3   23.4437168  59516140410 7 4 0     9 4 5 0      C-13-H3C(O)CH3
  223112.1076  0.0343 -5.5601 3  887.0435444  595161404554115 4    554015 4      C-13-H3C(O)CH3
  223121.5046  0.0067 -6.4026 3   75.2306280  59516140417 9 8 1    17 611 1      C-13-H3C(O)CH3
  223124.3412  0.0066 -4.6521 3  568.8381760  595161404472027 2    471928 2      C-13-H3C(O)CH3
  223124.3442  0.0066 -4.6521 3  568.8381760  595161404472127 2    472028 2      C-13-H3C(O)CH3
  223127.2685  0.0168 -5.3158 3  582.4038348  5951614044338 5 4    4337 6 4      C-13-H3C(O)CH3
  223128.1490  0.0055 -4.6521 3  568.8393760  595161404472027 1    471928 1      C-13-H3C(O)CH3
  223128.1519  0.0055 -4.6521 3  568.8393760  595161404472127 1    472028 1      C-13-H3C(O)CH3
  223152.5890  0.0137 -5.0148 3  582.3967696  5951614044338 5 1    4337 6 1      C-13-H3C(O)CH3
  223160.6167  0.0042 -5.0202 3  277.4339284  59516140435 926 4    35 927 4      C-13-H3C(O)CH3
  223160.6167  0.0042 -5.0202 3  277.4339284  595161404351026 4    35 827 4      C-13-H3C(O)CH3
  223160.6802  0.0042 -4.9324 3  277.4339284 -595161404351026 4    35 927 4      C-13-H3C(O)CH3
  223160.6802  0.0038 -5.0515 3  277.4339284 -59516140435 926 3    35 927 3      C-13-H3C(O)CH3
  223160.6802  0.0038 -5.1977 3  277.4339284 -595161404351026 3    35 827 3      C-13-H3C(O)CH3
  223160.6802  0.0042 -4.9324 3  277.4339284 -59516140435 926 4    35 827 4      C-13-H3C(O)CH3
  223160.8490  0.0038 -4.8272 3  277.4339284  595161404351026 3    35 927 3      C-13-H3C(O)CH3
  223160.8490  0.0038 -4.9084 3  277.4339284  59516140435 926 3    35 827 3      C-13-H3C(O)CH3
  223169.0444  0.0068 -4.9529 3  568.8176380  595161404472027 3    471928 3      C-13-H3C(O)CH3
  223169.0477  0.0068 -4.9529 3  568.8176380  595161404472127 3    472028 3      C-13-H3C(O)CH3
  223169.1071  0.0068 -4.9529 3  568.8176380  595161404472027 4    471928 4      C-13-H3C(O)CH3
  223169.1104  0.0068 -4.9529 3  568.8176380  595161404472127 4    472028 4      C-13-H3C(O)CH3
  223169.6239  0.0065 -6.3978 3   75.1953280  59516140417 9 8 0    17 611 0      C-13-H3C(O)CH3
  223188.1402  0.0109 -7.0747 3   15.9021136  595161404 8 8 1 1     7 5 2 1      C-13-H3C(O)CH3
  223188.5621  0.1224 -5.9377 3 1070.7534492  595161404614319 4    614219 4      C-13-H3C(O)CH3
  223202.9643  0.3319 -6.5287 3 1070.7529492  595161404614319 4    614220 4      C-13-H3C(O)CH3
  223209.8213  0.9225 -7.0128 3 1423.4992572  595161404714725 4    714625 4      C-13-H3C(O)CH3
  223241.3828  0.0283 -5.2587 3  887.0062888  595161404554115 2    554015 2      C-13-H3C(O)CH3
  223244.4546  0.0298 -5.5597 3  887.0369444  595161404554115 3    554016 3      C-13-H3C(O)CH3
  223269.5418  0.0035 -4.3715 3  277.4461568 -59516140435 926 2    35 827 2      C-13-H3C(O)CH3
  223269.5418  0.0035 -4.3715 3  277.4461568 -595161404351026 2    35 927 2      C-13-H3C(O)CH3
  223274.0585  0.0036 -4.9026 3  277.4470568  595161404351026 1    35 827 1      C-13-H3C(O)CH3
  223274.0585  0.0036 -4.9026 3  277.4470568  59516140435 926 1    35 927 1      C-13-H3C(O)CH3
  223274.0775  0.0036 -4.5230 3  277.4470568 -59516140435 926 1    35 827 1      C-13-H3C(O)CH3
  223274.0775  0.0036 -4.5230 3  277.4470568 -595161404351026 1    35 927 1      C-13-H3C(O)CH3
  223301.3616  0.0278 -5.2585 3  886.9964888  595161404554114 1    554015 1      C-13-H3C(O)CH3
  223315.5600  0.2708 -7.1160 3 1070.7067984  595161404614319 1    614219 1      C-13-H3C(O)CH3
  223347.8933  0.0280 -5.5594 3  887.0384444  595161404554114 3    554015 3      C-13-H3C(O)CH3
  223351.7631  0.0887 -5.5486 3 1070.7055984  595161404614319 1    614220 1      C-13-H3C(O)CH3
  223364.8712  0.0081 -5.2778 3  137.9890360  5951614042216 6 2    2117 4 2      C-13-H3C(O)CH3
  223370.6214  0.0042 -6.5796 3  107.1237328  5951614042012 9 2    1913 7 2      C-13-H3C(O)CH3
  223372.2181  0.0022 -4.4953 3   81.0936172  59516140421 219 3    20 218 3      C-13-H3C(O)CH3
  223372.2181  0.0022 -4.4953 3   81.0936172  59516140421 319 3    20 318 3      C-13-H3C(O)CH3
  223372.2566  0.0021 -5.3520 3   81.0936172 -59516140421 219 4    20 318 4      C-13-H3C(O)CH3
  223372.2566  0.0022 -4.1847 3   81.0936172 -59516140421 319 3    20 218 3      C-13-H3C(O)CH3
  223372.2566  0.0022 -4.1847 3   81.0936172 -59516140421 219 3    20 318 3      C-13-H3C(O)CH3
  223372.2566  0.0021 -5.3520 3   81.0936172 -59516140421 319 4    20 218 4      C-13-H3C(O)CH3
  223372.2596  0.0021 -4.0321 3   81.0936172  59516140421 219 4    20 218 4      C-13-H3C(O)CH3
  223372.2596  0.0021 -4.0321 3   81.0936172  59516140421 319 4    20 318 4      C-13-H3C(O)CH3
  223377.6491  0.0080 -4.6886 3   76.6350280 -5951614041710 7 0    1611 6 0      C-13-H3C(O)CH3
  223382.5530  0.0033 -6.0226 3  277.4592568 -595161404351026 0    35 927 0      C-13-H3C(O)CH3
  223382.5530  0.0033 -4.3808 3  277.4592568 -59516140435 926 0    35 927 0      C-13-H3C(O)CH3
  223382.5778  0.0033 -4.3808 3  277.4592568  595161404351026 0    35 827 0      C-13-H3C(O)CH3
  223382.5778  0.0033 -6.0226 3  277.4592568  59516140435 926 0    35 827 0      C-13-H3C(O)CH3
  223384.1754  0.0771 -5.5448 3 1070.7101984  595161404614319 2    614219 2      C-13-H3C(O)CH3
  223394.4145  0.0262 -6.7461 3  233.3559440  5951614042725 3 0    2626 1 0      C-13-H3C(O)CH3
  223394.4145  0.0262 -6.7461 3  233.3559440  5951614042725 2 0    2626 0 0      C-13-H3C(O)CH3
  223397.2988  0.7163 -6.7652 3 1423.4614B44  595161404714725 2    714625 2      C-13-H3C(O)CH3
  223406.3452  0.0022 -7.1768 3   81.0417344  59516140421 319 1    20 218 1      C-13-H3C(O)CH3
  223406.3452  0.0022 -6.2420 3   81.0417344  59516140421 219 1    20 318 1      C-13-H3C(O)CH3
  223406.4372  0.0022 -4.4999 3   81.0412344 -59516140421 219 2    20 318 2      C-13-H3C(O)CH3
  223406.4372  0.0022 -3.7107 3   81.0417344 -59516140421 219 1    20 218 1      C-13-H3C(O)CH3
  223406.4372  0.0022 -3.7118 3   81.0417344 -59516140421 319 1    20 318 1      C-13-H3C(O)CH3
  223406.4372  0.0022 -4.4999 3   81.0412344 -59516140421 319 2    20 218 2      C-13-H3C(O)CH3
  223406.5387  0.0022 -3.7876 3   81.0412344  59516140421 319 2    20 318 2      C-13-H3C(O)CH3
  223406.5387  0.0022 -3.7876 3   81.0412344  59516140421 219 2    20 218 2      C-13-H3C(O)CH3
  223426.0292  0.4902 -6.6095 3 1423.4727B44  595161404714725 1    714625 1      C-13-H3C(O)CH3
  223430.0285  0.0280 -5.2581 3  886.9591888  595161404554114 0    554015 0      C-13-H3C(O)CH3
  223430.2100  0.0280 -5.2581 3  886.9591888  595161404554115 0    554016 0      C-13-H3C(O)CH3
  223433.0961  0.0303 -5.2581 3  886.9898888  595161404554115 1    554016 1      C-13-H3C(O)CH3
  223440.5723  0.0020 -4.6427 3   80.9895344  59516140421 319 0    20 318 0      C-13-H3C(O)CH3
  223440.5723  0.0020 -4.6427 3   80.9895344  59516140421 219 0    20 218 0      C-13-H3C(O)CH3
  223440.5742  0.0020 -3.7644 3   80.9895344 -59516140421 219 0    20 318 0      C-13-H3C(O)CH3
  223440.5742  0.0020 -3.7644 3   80.9895344 -59516140421 319 0    20 218 0      C-13-H3C(O)CH3
  223440.9199  0.0127 -7.0679 3   15.9008136  595161404 8 8 1 2     7 5 2 2      C-13-H3C(O)CH3
  223466.3303  0.0644 -5.8394 3 1070.7544492  595161404614318 3    614219 3      C-13-H3C(O)CH3
  223476.3768  0.0277 -5.2580 3  887.0011888  595161404554114 2    554016 2      C-13-H3C(O)CH3
  223478.5608  0.0255 -6.7466 3  233.2837440  5951614042725 3 1    2626 1 1      C-13-H3C(O)CH3
  223479.3111  0.0295 -5.5590 3  887.0317444  595161404554114 4    554016 4      C-13-H3C(O)CH3
  223490.7078  0.0087 -5.2690 3  137.9728360  5951614042216 6 0    2117 5 0      C-13-H3C(O)CH3
  223496.0723  0.0728 -5.8393 3 1070.7518492  595161404614319 3    614220 3      C-13-H3C(O)CH3
  223510.1951  0.0224 -6.3067 3  137.9395180  5951614042216 7 3    2117 4 3      C-13-H3C(O)CH3
  223538.8292  0.0859 -5.5364 3 1070.6625984  595161404614318 0    614219 0      C-13-H3C(O)CH3
  223539.9236  0.0474 -5.6903 3  976.5654468  595161404584217 4    584117 4      C-13-H3C(O)CH3
  223549.4838  0.0858 -5.5363 3 1070.6621984  595161404614319 0    614220 0      C-13-H3C(O)CH3
  223549.7171  0.0044 -6.4120 3  107.1208328  5951614042012 9 1    1913 7 1      C-13-H3C(O)CH3
  223563.0714  0.0118 -4.9656 3  774.1000872  595161404542628 0    542529 0      C-13-H3C(O)CH3
  223563.5919  0.0118 -4.9656 3  774.1000872  595161404542728 0    542629 0      C-13-H3C(O)CH3
  223569.0061  0.0053 -6.3025 3  109.4037164  5951614042013 8 4    201011 4      C-13-H3C(O)CH3
  223587.7552  0.0174 -4.9654 3  774.0978872  595161404542628 2    542529 2      C-13-H3C(O)CH3
  223588.3290  0.0174 -4.9654 3  774.0978872  595161404542728 2    542629 2      C-13-H3C(O)CH3
  223588.5575  0.0130 -4.9654 3  774.0981872  595161404542628 1    542529 1      C-13-H3C(O)CH3
  223589.1353  0.0130 -4.9654 3  774.0981872  595161404542728 1    542629 1      C-13-H3C(O)CH3
  223600.9324  0.0087 -5.2738 3  137.9816360  5951614042216 6 1    2117 4 1      C-13-H3C(O)CH3
  223613.2861  0.0180 -5.2662 3  774.0960436  595161404542628 3    542529 3      C-13-H3C(O)CH3
  223613.3839  0.0181 -5.2662 3  774.0960436  595161404542628 4    542529 4      C-13-H3C(O)CH3
  223613.9229  0.0180 -5.2662 3  774.0960436  595161404542728 3    542629 3      C-13-H3C(O)CH3
  223614.0174  0.0181 -5.2662 3  774.0960436  595161404542728 4    542629 4      C-13-H3C(O)CH3
  223614.2795  0.0082 -4.6957 3   76.6560280 -5951614041710 7 2    1611 6 2      C-13-H3C(O)CH3
  223624.9063  0.0046 -4.6757 3  256.3299276  59516140434 826 4    34 727 4      C-13-H3C(O)CH3
  223624.9063  0.0046 -4.6757 3  256.3299276  59516140434 926 4    34 827 4      C-13-H3C(O)CH3
  223625.0147  0.0849 -5.5478 3 1070.7067984  595161404614318 1    614219 1      C-13-H3C(O)CH3
  223625.1309  0.0040 -5.9135 3  256.3298276  59516140434 826 3    34 727 3      C-13-H3C(O)CH3
  223625.1309  0.0040 -4.7010 3  256.3298276  59516140434 926 3    34 727 3      C-13-H3C(O)CH3
  223625.1309  0.0040 -5.9135 3  256.3298276  59516140434 926 3    34 827 3      C-13-H3C(O)CH3
  223625.1309  0.0040 -4.7010 3  256.3298276  59516140434 826 3    34 827 3      C-13-H3C(O)CH3
  223642.9768  0.0122 -5.5698 3  137.9977180  5951614042216 6 4    2117 4 4      C-13-H3C(O)CH3
  223650.0585  0.0083 -5.2769 3  137.9309360  5951614042216 7 2    2117 5 2      C-13-H3C(O)CH3
  223661.2178  0.2320 -7.1150 3 1070.7055984  595161404614318 1    614220 1      C-13-H3C(O)CH3
  223684.2179  0.2565 -6.1458 3 1423.4352B44  595161404714724 0    714625 0      C-13-H3C(O)CH3
  223689.7351  0.0763 -5.5440 3 1070.7086984  595161404614318 2    614220 2      C-13-H3C(O)CH3
  223703.7583  0.0158 -6.6155 3  117.2691328  5951614042016 5 1    2013 7 1      C-13-H3C(O)CH3
  223705.7778  0.0105 -5.6563 3  137.9329180  5951614042216 7 3    2117 5 3      C-13-H3C(O)CH3
  223709.7153  0.0458 -5.3887 3  976.5244936  595161404584217 2    584117 2      C-13-H3C(O)CH3
  223711.1591  0.0043 -6.2990 3  109.4037164  5951614042013 8 3    201011 3      C-13-H3C(O)CH3
  223722.2268  0.0496 -5.3888 3  976.5162936  595161404584217 1    584117 1      C-13-H3C(O)CH3
  223725.8731  0.0082 -5.2742 3  137.9170360  5951614042216 7 1    2117 5 1      C-13-H3C(O)CH3
  223745.1527  0.0421 -5.6899 3  976.5637468  595161404584217 3    584117 3      C-13-H3C(O)CH3
  223758.5723  0.2702 -6.5272 3 1070.7534492  595161404614318 4    614219 4      C-13-H3C(O)CH3
  223762.8924  0.0035 -4.5864 3  256.3358552  59516140434 926 2    34 727 2      C-13-H3C(O)CH3
  223762.8924  0.0035 -4.5864 3  256.3358552  59516140434 826 2    34 827 2      C-13-H3C(O)CH3
  223762.8952  0.0035 -4.7850 3  256.3358552 -59516140434 826 2    34 727 2      C-13-H3C(O)CH3
  223762.8952  0.0035 -4.7850 3  256.3358552 -59516140434 926 2    34 827 2      C-13-H3C(O)CH3
  223766.9004  0.0254 -6.7448 3  233.2777440  5951614042725 3 2    2626 1 2      C-13-H3C(O)CH3
  223767.0414  0.0036 -4.9744 3  256.3367552  59516140434 826 1    34 827 1      C-13-H3C(O)CH3
  223767.0414  0.0036 -4.9744 3  256.3367552  59516140434 926 1    34 727 1      C-13-H3C(O)CH3
  223767.0886  0.0036 -4.4988 3  256.3367552 -59516140434 926 1    34 827 1      C-13-H3C(O)CH3
  223767.0886  0.0036 -4.4988 3  256.3367552 -59516140434 826 1    34 727 1      C-13-H3C(O)CH3
  223770.5903  0.2744 -6.4470 3 1423.4988572  595161404714724 3    714625 3      C-13-H3C(O)CH3
  223772.9745  0.0775 -5.9360 3 1070.7529492  595161404614318 4    614220 4      C-13-H3C(O)CH3
  223777.1880  0.7046 -6.6717 3 1702.9401C56  595161404785029 2    784930 2      C-13-H3C(O)CH3
  223803.1863  0.0266 -6.7444 3  233.2842440  5951614042725 2 1    2626 0 1      C-13-H3C(O)CH3
  223820.1139  0.0411 -5.6897 3  976.5623468  595161404584216 3    584118 3      C-13-H3C(O)CH3
  223827.5525  0.4012 -6.6579 3 1702.9350C56  595161404785029 0    784930 0      C-13-H3C(O)CH3
  223849.1485  0.0248 -7.0463 3  233.2056220  5951614042725 3 4    2626 1 4      C-13-H3C(O)CH3
  223853.5399  0.9945 -7.2334 3 2007.9930D68  595161404855333 2    855234 2      C-13-H3C(O)CH3
  223854.0690  0.8975 -6.9864 3 1702.9630628  595161404785029 4    784930 4      C-13-H3C(O)CH3
  223859.6189  0.0045 -5.9965 3  109.3874328  5951614042013 8 1    201011 1      C-13-H3C(O)CH3
  223871.5058  0.0074 -4.9819 3   76.6841140  5951614041710 7 3    1611 6 3      C-13-H3C(O)CH3
  223877.1886  0.0242 -6.7432 3  233.3005440  5951614042725 2 2    2626 0 2      C-13-H3C(O)CH3
  223890.9750  0.0512 -5.3881 3  976.4753936  595161404584216 0    584117 0      C-13-H3C(O)CH3
  223892.4877  0.0512 -5.3881 3  976.4752936  595161404584217 0    584118 0      C-13-H3C(O)CH3
  223901.4402  0.3817 -6.3287 3 1423.4727B44  595161404714724 1    714625 1      C-13-H3C(O)CH3
  223904.5491  0.0034 -4.6368 3  256.3427552  59516140434 926 0    34 727 0      C-13-H3C(O)CH3
  223904.5491  0.0034 -4.6368 3  256.3427552  59516140434 826 0    34 827 0      C-13-H3C(O)CH3
  223904.5514  0.0034 -4.7142 3  256.3427552 -59516140434 926 0    34 827 0      C-13-H3C(O)CH3
  223904.5514  0.0034 -4.7142 3  256.3427552 -59516140434 826 0    34 727 0      C-13-H3C(O)CH3
  223912.3404  0.2976 -6.2649 3 1423.4614B44  595161404714724 2    714625 2      C-13-H3C(O)CH3
  223917.9681  0.0044 -5.9954 3  109.3848328  5951614042013 8 2    201011 2      C-13-H3C(O)CH3
  223919.0250  0.0082 -4.6960 3   76.6540280  5951614041710 7 1    1611 6 1      C-13-H3C(O)CH3
  223926.2055  0.0072 -6.2963 3  107.1203164  5951614042012 9 4    1913 7 4      C-13-H3C(O)CH3
  223927.1539  0.0534 -5.3882 3  976.5146936  595161404584216 1    584118 1      C-13-H3C(O)CH3
  223934.5047  0.0086 -4.9459 3   37.6676100  59516140412 9 3 4    11 8 4 4      C-13-H3C(O)CH3
  223947.5797  0.5963 -6.9630 3 1702.9624628  595161404785029 3    784930 3      C-13-H3C(O)CH3
  223949.5125  0.4669 -6.6609 3 1702.9577C56  595161404785029 1    784930 1      C-13-H3C(O)CH3
  223952.3920  0.7384 -7.2328 3 2008.0018D68  595161404855333 0    855234 0      C-13-H3C(O)CH3
  223958.3857  0.0248 -7.0447 3  233.2284220  5951614042725 2 3    2626 0 3      C-13-H3C(O)CH3
  223986.3283  0.0202 -6.2014 3  210.9899424  5951614042623 4 0    2524 1 0      C-13-H3C(O)CH3
  223986.3291  0.0202 -6.2014 3  210.9899424  5951614042623 3 0    2524 2 0      C-13-H3C(O)CH3
  223989.4012  0.0463 -5.3879 3  976.5214936  595161404584216 2    584118 2      C-13-H3C(O)CH3
  224024.3904  0.0466 -5.6889 3  976.5608468  595161404584216 4    584118 4      C-13-H3C(O)CH3
  224027.8011  0.0029 -4.5333 3   65.2128132 -59516140416 8 8 3    15 9 7 3      C-13-H3C(O)CH3
  224039.4319  0.0031 -4.2343 3   65.1763264 -59516140416 8 8 2    15 9 7 2      C-13-H3C(O)CH3
  224047.1589  0.0051 -4.7992 3  235.8167268  59516140433 726 4    33 727 4      C-13-H3C(O)CH3
  224047.1589  0.0051 -5.3217 3  235.8167268  59516140433 726 4    33 627 4      C-13-H3C(O)CH3
  224047.1589  0.0051 -5.3217 3  235.8167268  59516140433 826 4    33 727 4      C-13-H3C(O)CH3
  224047.1589  0.0051 -4.7992 3  235.8167268  59516140433 826 4    33 627 4      C-13-H3C(O)CH3
  224047.3579  0.0045 -5.1213 3  235.8167268  59516140433 826 3    33 627 3      C-13-H3C(O)CH3
  224047.3579  0.0045 -4.8833 3  235.8167268  59516140433 726 3    33 627 3      C-13-H3C(O)CH3
  224047.3579  0.0045 -5.1213 3  235.8167268  59516140433 726 3    33 727 3      C-13-H3C(O)CH3
  224047.3579  0.0045 -4.8833 3  235.8167268  59516140433 826 3    33 727 3      C-13-H3C(O)CH3
  224051.9686  0.0202 -6.9007 3  117.2806164  5951614042016 5 3    2013 7 3      C-13-H3C(O)CH3
  224057.3961  0.6291 -6.9651 3 1713.2995636  595161404794534 3    794435 3      C-13-H3C(O)CH3
  224057.4023  0.6277 -6.9651 3 1713.2995636  595161404794534 4    794435 4      C-13-H3C(O)CH3
  224069.1302  0.5157 -6.6639 3 1713.2955C72  595161404794534 1    794435 1      C-13-H3C(O)CH3
  224069.6958  0.0103 -5.6540 3  137.9395180  5951614042216 6 3    2117 4 3      C-13-H3C(O)CH3
  224070.9547  0.0033 -4.5332 3   65.2119132 -59516140416 8 8 4    15 9 7 4      C-13-H3C(O)CH3
  224091.1098  0.0027 -4.2350 3   65.1421264 -59516140416 8 8 0    15 9 7 0      C-13-H3C(O)CH3
  224101.0114  0.0029 -4.2329 3   65.1781264 -59516140416 8 8 1    15 9 7 1      C-13-H3C(O)CH3
  224116.7142  0.0132 -5.7536 3   87.0916148  5951614041811 7 4    1712 5 4      C-13-H3C(O)CH3
  224119.8062  0.5169 -6.5835 3 1423.4689572  595161404714725 4    714626 4      C-13-H3C(O)CH3
  224126.3432  0.0103 -5.5689 3  137.8748180  5951614042216 7 4    2117 5 4      C-13-H3C(O)CH3
  224136.9845  0.0044 -5.9919 3  109.3686328  5951614042013 8 0    201011 0      C-13-H3C(O)CH3
  224149.4671  0.7203 -7.2323 3 2008.0077D68  595161404855333 1    855234 1      C-13-H3C(O)CH3
  224156.6173  0.0127 -6.6747 3   95.6868296  5951614041815 4 1    1812 7 1      C-13-H3C(O)CH3
  224158.6403  0.0157 -5.0452 3  562.1017680  5951614044238 5 2    4237 6 2      C-13-H3C(O)CH3
  224171.9942  0.0243 -7.0442 3  233.2061220  5951614042725 3 3    2626 1 3      C-13-H3C(O)CH3
  224173.1664  0.0215 -5.3460 3  562.0689340  5951614044238 5 4    4237 6 4      C-13-H3C(O)CH3
  224174.8880  0.3625 -6.5839 3 1423.4992572  595161404714724 4    714625 4      C-13-H3C(O)CH3
  224176.8951  0.0197 -6.2012 3  210.9130424  5951614042623 4 1    2524 2 1      C-13-H3C(O)CH3
  224201.8188  1.0932 -7.1878 3 1985.3587D68  595161404854936 1    854837 1      C-13-H3C(O)CH3
  224209.7105  0.0047 -4.6109 3  540.7467744  595161404461927 0    461828 0      C-13-H3C(O)CH3
  224209.7112  0.0047 -4.6109 3  540.7467744  595161404462027 0    461928 0      C-13-H3C(O)CH3
  224212.8396  0.0056 -6.4104 3   97.4474156  5951614041912 8 4    19 911 4      C-13-H3C(O)CH3
  224216.7794  0.0037 -4.3843 3  235.8154536 -59516140433 726 2    33 627 2      C-13-H3C(O)CH3
  224216.7794  0.0037 -4.3843 3  235.8154536 -59516140433 826 2    33 727 2      C-13-H3C(O)CH3
  224216.8122  0.0037 -6.9726 3  235.8154536  59516140433 826 2    33 627 2      C-13-H3C(O)CH3
  224216.8122  0.0037 -6.9726 3  235.8154536  59516140433 726 2    33 727 2      C-13-H3C(O)CH3
  224220.5506  0.0039 -4.4094 3  235.8161536  59516140433 826 1    33 627 1      C-13-H3C(O)CH3
  224220.5506  0.0039 -4.4094 3  235.8161536  59516140433 726 1    33 727 1      C-13-H3C(O)CH3
  224220.5825  0.0039 -5.6182 3  235.8161536 -59516140433 726 1    33 627 1      C-13-H3C(O)CH3
  224220.5825  0.0039 -5.6182 3  235.8161536 -59516140433 826 1    33 727 1      C-13-H3C(O)CH3
  224224.4056  0.6679 -6.6635 3 1713.3024C72  595161404794534 2    794435 2      C-13-H3C(O)CH3
  224236.3705  0.5283 -6.6634 3 1713.2984C72  595161404794534 0    794435 0      C-13-H3C(O)CH3
  224238.2644  0.0116 -6.0764 3   39.3025200 -5951614041210 3 1    11 9 2 1      C-13-H3C(O)CH3
  224248.3844  0.0059 -4.6107 3  540.7226744  595161404461927 2    461828 2      C-13-H3C(O)CH3
  224248.3853  0.0059 -4.6107 3  540.7226744  595161404462027 2    461928 2      C-13-H3C(O)CH3
  224252.3988  0.0051 -4.6106 3  540.7238744  595161404461927 1    461828 1      C-13-H3C(O)CH3
  224252.3996  0.0051 -4.6106 3  540.7238744  595161404462027 1    461928 1      C-13-H3C(O)CH3
  224263.8691  0.0193 -5.3340 3  675.7845380  5951614044739 9 3    473810 3      C-13-H3C(O)CH3
  224265.2785  0.0229 -6.3039 3  137.9329180  5951614042216 6 3    2117 5 3      C-13-H3C(O)CH3
  224267.2055  0.0188 -5.3339 3  675.7710380  5951614044739 9 4    473810 4      C-13-H3C(O)CH3
  224281.0867  0.0284 -7.0426 3  233.2289220  5951614042725 2 4    2626 0 4      C-13-H3C(O)CH3
  224282.2420  0.0192 -6.8219 3  117.2806164  5951614042016 4 3    2013 7 3      C-13-H3C(O)CH3
  224285.5880  0.0157 -5.4654 3  272.1984504  595161404312110 1    311813 1      C-13-H3C(O)CH3
  224286.8243  0.0045 -6.4094 3   97.4473156  5951614041912 8 3    19 911 3      C-13-H3C(O)CH3
  224289.3786  0.0154 -6.6046 3  117.2628328  5951614042016 5 2    2013 7 2      C-13-H3C(O)CH3
  224290.1088  0.0154 -5.0331 3  675.7901760  5951614044739 8 2    4738 9 2      C-13-H3C(O)CH3
  224291.1467  0.0060 -4.9114 3  540.6997372  595161404461927 3    461828 3      C-13-H3C(O)CH3
  224291.1477  0.0060 -4.9114 3  540.6997372  595161404462027 3    461928 3      C-13-H3C(O)CH3
  224291.1888  0.0061 -4.9114 3  540.6996372  595161404461927 4    461828 4      C-13-H3C(O)CH3
  224291.1897  0.0061 -4.9114 3  540.6996372  595161404462027 4    461928 4      C-13-H3C(O)CH3
  224291.2364  0.4536 -6.3269 3 1423.4439B44  595161404714725 1    714626 1      C-13-H3C(O)CH3
  224292.3554  0.0152 -5.0330 3  675.7767760  5951614044739 9 2    473810 2      C-13-H3C(O)CH3
  224305.4129  0.4318 -6.2632 3 1423.4311B44  595161404714725 2    714626 2      C-13-H3C(O)CH3
  224328.6404  0.0145 -5.0450 3  562.1263680  5951614044238 4 0    4237 5 0      C-13-H3C(O)CH3
  224328.6404  0.0145 -5.0450 3  562.1263680  5951614044238 5 0    4237 6 0      C-13-H3C(O)CH3
  224338.6806  0.0196 -5.3340 3  675.8127380  5951614044739 8 4    4738 9 4      C-13-H3C(O)CH3
  224341.8117  0.0187 -5.3339 3  675.7993380  5951614044739 8 3    4738 9 3      C-13-H3C(O)CH3
  224342.4187  0.0168 -5.0448 3  562.0935680  5951614044238 5 1    4237 6 1      C-13-H3C(O)CH3
  224344.4011  0.0150 -5.0449 3  562.1290680  5951614044238 4 2    4237 5 2      C-13-H3C(O)CH3
  224347.3726  0.0085 -5.8765 3   87.0503296  5951614041811 7 2    1712 5 2      C-13-H3C(O)CH3
  224347.8440  0.0185 -5.3457 3  562.1171340  5951614044238 4 3    4237 5 3      C-13-H3C(O)CH3
  224351.1045  0.0108 -6.8020 3  436.2211332  595161404411823 4    402120 4      C-13-H3C(O)CH3
  224351.2195  0.0108 -6.8020 3  436.2211332  595161404411823 3    402120 3      C-13-H3C(O)CH3
  224357.4776  0.0191 -5.3456 3  562.0963340  5951614044238 5 3    4237 6 3      C-13-H3C(O)CH3
  224358.9602  0.0104 -6.5017 3  436.2488664  595161404411823 1    402120 1      C-13-H3C(O)CH3
  224378.2015  0.0163 -5.0328 3  675.7610760  5951614044739 9 1    473810 1      C-13-H3C(O)CH3
  224378.9035  0.0185 -6.1988 3  210.9523424  5951614042623 3 2    2524 1 2      C-13-H3C(O)CH3
  224389.6796  0.0036 -5.3059 3  235.8148536  59516140433 826 0    33 627 0      C-13-H3C(O)CH3
  224389.6796  0.0036 -5.3059 3  235.8148536  59516140433 726 0    33 727 0      C-13-H3C(O)CH3
  224389.7073  0.0036 -4.4376 3  235.8148536 -59516140433 826 0    33 727 0      C-13-H3C(O)CH3
  224389.7073  0.0036 -4.4376 3  235.8148536 -59516140433 726 0    33 627 0      C-13-H3C(O)CH3
  224392.7363  1.1247 -7.1872 3 1985.3701D68  595161404854936 0    854837 0      C-13-H3C(O)CH3
  224403.6430  0.0108 -6.4994 3  436.2449664  595161404411823 2    402120 2      C-13-H3C(O)CH3
  224403.9763  0.0202 -6.1996 3  210.9156424  5951614042623 4 2    2524 2 2      C-13-H3C(O)CH3
  224404.1453  0.0149 -5.0329 3  675.7667760  5951614044739 8 0    4738 9 0      C-13-H3C(O)CH3
  224404.1453  0.0149 -5.0329 3  675.7667760  5951614044739 9 0    473810 0      C-13-H3C(O)CH3
  224404.5693  0.0199 -6.1994 3  210.9336424  5951614042623 3 1    2524 1 1      C-13-H3C(O)CH3
  224408.1585  0.0112 -5.0186 3   76.6675140  5951614041710 7 4    1611 6 4      C-13-H3C(O)CH3
  224411.1399  0.0090 -6.5001 3  436.2725664  595161404411823 0    402120 0      C-13-H3C(O)CH3
  224417.0620  0.0258 -5.4227 3  777.3334412  595161404514011 4    513912 4      C-13-H3C(O)CH3
  224419.5571  0.0109 -6.8017 3  436.2188332  595161404411923 4    402020 4      C-13-H3C(O)CH3
  224419.8376  0.0109 -6.8017 3  436.2188332  595161404411923 3    402020 3      C-13-H3C(O)CH3
  224424.3809  0.0103 -6.5014 3  436.2466664  595161404411923 1    402020 1      C-13-H3C(O)CH3
  224430.1260  0.0058 -4.9678 3  215.8956260  59516140432 626 4    32 627 4      C-13-H3C(O)CH3
  224430.1260  0.0058 -6.6186 3  215.8956260  59516140432 726 4    32 527 4      C-13-H3C(O)CH3
  224430.1260  0.0058 -4.7105 3  215.8956260  59516140432 726 4    32 627 4      C-13-H3C(O)CH3
  224430.1260  0.0058 -5.0484 3  215.8956260  59516140432 626 4    32 527 4      C-13-H3C(O)CH3
  224430.2775  0.0051 -7.2186 3  215.8956260  59516140432 726 3    32 627 3      C-13-H3C(O)CH3
  224430.2775  0.0051 -4.7065 3  215.8956260  59516140432 726 3    32 527 3      C-13-H3C(O)CH3
  224430.2775  0.0051 -4.7065 3  215.8956260  59516140432 626 3    32 627 3      C-13-H3C(O)CH3
  224430.2775  0.0051 -7.2186 3  215.8956260  59516140432 626 3    32 527 3      C-13-H3C(O)CH3
  224431.3377  0.2454 -6.1430 3 1423.4059B44  595161404714725 0    714626 0      C-13-H3C(O)CH3
  224434.6405  0.0183 -5.7690 3  272.1736252  595161404312110 4    311813 4      C-13-H3C(O)CH3
  224436.5671  0.0203 -5.7668 3  272.1733252  595161404312110 3    311813 3      C-13-H3C(O)CH3
  224439.8705  0.0221 -5.4225 3  777.3180412  595161404514012 3    513913 3      C-13-H3C(O)CH3
  224453.8056  0.0160 -5.0327 3  675.7893760  5951614044739 8 1    4738 9 1      C-13-H3C(O)CH3
  224458.8950  0.0025 -4.2278 3   83.0086180  59516140422 221 3    21 220 3      C-13-H3C(O)CH3
  224458.8950  0.0025 -4.2999 3   83.0086180  59516140422 121 3    21 220 3      C-13-H3C(O)CH3
  224458.9087  0.0025 -4.0123 3   83.0086180 -59516140422 221 4    21 220 4      C-13-H3C(O)CH3
  224458.9087  0.0025 -4.2999 3   83.0086180 -59516140422 221 3    21 120 3      C-13-H3C(O)CH3
  224458.9087  0.0025 -4.2278 3   83.0086180 -59516140422 121 3    21 120 3      C-13-H3C(O)CH3
  224458.9087  0.0025 -4.9176 3   83.0086180 -59516140422 121 4    21 220 4      C-13-H3C(O)CH3
  224458.9221  0.0025 -4.0123 3   83.0086180  59516140422 121 4    21 120 4      C-13-H3C(O)CH3
  224458.9221  0.0025 -4.9176 3   83.0086180  59516140422 221 4    21 120 4      C-13-H3C(O)CH3
  224463.4791  0.0044 -6.1058 3   97.4254312  5951614041912 8 1    19 911 1      C-13-H3C(O)CH3
  224467.1244  0.0190 -5.1215 3  777.3035824  595161404514011 2    513912 2      C-13-H3C(O)CH3
  224471.0611  0.0108 -6.4991 3  436.2426664  595161404411923 2    402020 2      C-13-H3C(O)CH3
  224473.4584  0.0045 -6.1047 3   97.4233312  5951614041912 8 2    19 911 2      C-13-H3C(O)CH3
  224475.4364  0.0090 -6.4998 3  436.2703664  595161404411923 0    402020 0      C-13-H3C(O)CH3
  224480.0550  0.0027 -3.7187 3   82.9486360  59516140422 121 1    21 120 1      C-13-H3C(O)CH3
  224480.0550  0.0027 -3.7187 3   82.9486360  59516140422 221 1    21 220 1      C-13-H3C(O)CH3
  224480.1326  0.0026 -6.7810 3   82.9481360 -59516140422 121 2    21 120 2      C-13-H3C(O)CH3
  224480.1326  0.0026 -3.6605 3   82.9481360 -59516140422 221 2    21 120 2      C-13-H3C(O)CH3
  224480.1326  0.0027 -4.5592 3   82.9486360 -59516140422 221 1    21 120 1      C-13-H3C(O)CH3
  224480.1326  0.0027 -4.5592 3   82.9486360 -59516140422 121 1    21 220 1      C-13-H3C(O)CH3
  224480.1831  0.0026 -6.7810 3   82.9481360  59516140422 221 2    21 220 2      C-13-H3C(O)CH3
  224480.1831  0.0026 -3.6605 3   82.9481360  59516140422 121 2    21 220 2      C-13-H3C(O)CH3
  224485.6275  0.0127 -5.9967 3   39.3023200  5951614041210 3 2    11 9 2 2      C-13-H3C(O)CH3
  224487.0714  1.4268 -7.1869 3 1985.3672D68  595161404854936 2    854837 2      C-13-H3C(O)CH3
  224501.2831  0.0024 -3.8896 3   82.8882360  59516140422 221 0    21 120 0      C-13-H3C(O)CH3
  224501.2831  0.0024 -4.0466 3   82.8882360  59516140422 121 0    21 120 0      C-13-H3C(O)CH3
  224501.2841  0.0024 -3.8896 3   82.8882360 -59516140422 121 0    21 220 0      C-13-H3C(O)CH3
  224501.2841  0.0024 -4.0466 3   82.8882360 -59516140422 221 0    21 220 0      C-13-H3C(O)CH3
  224518.6193  0.0125 -6.6900 3   95.6874296  5951614041815 4 2    1812 7 2      C-13-H3C(O)CH3
  224518.7751  0.0148 -5.0445 3  562.1415680  5951614044238 4 1    4237 5 1      C-13-H3C(O)CH3
  224524.3466  0.2303 -6.4442 3 1423.4692572  595161404714725 3    714626 3      C-13-H3C(O)CH3
  224527.4413  0.0166 -7.0295 3   95.7068148  5951614041815 4 3    1812 7 3      C-13-H3C(O)CH3
  224528.9157  0.0278 -6.9157 3  438.1356648  595161404402318 2    392613 2      C-13-H3C(O)CH3
  224529.1798  0.0250 -7.1962 3  438.1141324  595161404402318 3    392613 3      C-13-H3C(O)CH3
  224533.8136  0.0182 -5.3453 3  562.1442340  5951614044238 4 4    4237 5 4      C-13-H3C(O)CH3
  224533.9361  0.0090 -5.7635 3   87.0526296  5951614041811 7 1    1712 5 1      C-13-H3C(O)CH3
  224549.0857  0.0222 -5.4223 3  777.3261412  595161404514011 3    513912 3      C-13-H3C(O)CH3
  224565.8621  0.0199 -6.4997 3  210.8755212  5951614042623 3 3    2524 1 3      C-13-H3C(O)CH3
  224571.3460  0.0201 -5.4221 3  777.3105412  595161404514012 4    513913 4      C-13-H3C(O)CH3
  224579.1435  0.4389 -6.7358 3 1240.5434A64  595161404664522 1    664422 1      C-13-H3C(O)CH3
  224584.7031  0.0053 -4.5782 3   43.7951108 -59516140413 9 5 4    12 8 4 4      C-13-H3C(O)CH3
  224590.0438  0.0187 -5.1212 3  777.2961824  595161404514011 1    513912 1      C-13-H3C(O)CH3
  224591.0814  0.0201 -6.5005 3  210.8389212  5951614042623 4 4    2524 2 4      C-13-H3C(O)CH3
  224598.1045  0.0174 -5.1211 3  777.2961824  595161404514012 2    513913 2      C-13-H3C(O)CH3
  224611.9851  0.0168 -5.1210 3  777.2806824  595161404514012 1    513913 1      C-13-H3C(O)CH3
  224621.5749  0.1644 -6.1403 3 1240.5756532  595161404664522 4    664423 4      C-13-H3C(O)CH3
  224633.9828  0.0043 -4.4854 3  215.8858520 -59516140432 726 2    32 627 2      C-13-H3C(O)CH3
  224633.9828  0.0043 -4.4854 3  215.8858520 -59516140432 626 2    32 527 2      C-13-H3C(O)CH3
  224634.0074  0.0043 -5.1658 3  215.8858520  59516140432 726 2    32 527 2      C-13-H3C(O)CH3
  224634.0074  0.0043 -5.1658 3  215.8858520  59516140432 626 2    32 627 2      C-13-H3C(O)CH3
  224637.2592  0.0047 -4.5351 3  215.8864520 -59516140432 726 1    32 627 1      C-13-H3C(O)CH3
  224637.2592  0.0047 -4.5351 3  215.8864520 -59516140432 626 1    32 527 1      C-13-H3C(O)CH3
  224637.2747  0.0047 -4.9849 3  215.8864520  59516140432 626 1    32 627 1      C-13-H3C(O)CH3
  224637.2747  0.0047 -4.9849 3  215.8864520  59516140432 726 1    32 527 1      C-13-H3C(O)CH3
  224639.2193  0.0163 -5.1210 3  777.2661824  595161404514011 0    513912 0      C-13-H3C(O)CH3
  224639.2225  0.0163 -5.1210 3  777.2661824  595161404514012 0    513913 0      C-13-H3C(O)CH3
  224654.7614  0.7550 -6.9186 3 1846.9007D20  595161404824735 1    824636 1      C-13-H3C(O)CH3
  224659.8677  0.0145 -5.4569 3  272.2078504  595161404312110 0    311813 0      C-13-H3C(O)CH3
  224675.6289  0.4960 -6.7040 3 1240.5386A64  595161404664522 2    664422 2      C-13-H3C(O)CH3
  224686.5440  0.0044 -6.1015 3   97.4015312  5951614041912 8 0    19 911 0      C-13-H3C(O)CH3
  224689.3440  0.9126 -7.2196 3 1846.9010660  595161404824735 4    824636 4      C-13-H3C(O)CH3
  224689.3442  0.9141 -7.2196 3 1846.9010660  595161404824735 3    824636 3      C-13-H3C(O)CH3
  224716.9219  0.0163 -7.0889 3   95.7068148  5951614041815 3 3    1812 7 3      C-13-H3C(O)CH3
  224748.3048  0.1943 -5.8757 3 1240.5378A64  595161404664522 1    664423 1      C-13-H3C(O)CH3
  224753.8633  0.0063 -6.2264 3  121.9319172  5951614042114 8 4    211111 4      C-13-H3C(O)CH3
  224766.6473  0.4001 -6.6049 3 1423.4439B44  595161404714724 1    714626 1      C-13-H3C(O)CH3
  224776.4014  0.0067 -4.7398 3  196.5677252  59516140431 626 4    31 427 4      C-13-H3C(O)CH3
  224776.4014  0.0067 -4.7398 3  196.5677252  59516140431 526 4    31 527 4      C-13-H3C(O)CH3
  224776.4794  0.0059 -4.7654 3  196.5677252  59516140431 626 3    31 427 3      C-13-H3C(O)CH3
  224776.4794  0.0059 -4.9848 3  196.5677252  59516140431 626 3    31 527 3      C-13-H3C(O)CH3
  224776.4794  0.0059 -5.1021 3  196.5677252  59516140431 526 3    31 527 3      C-13-H3C(O)CH3
  224776.4794  0.0059 -5.9595 3  196.5677252  59516140431 526 3    31 427 3      C-13-H3C(O)CH3
  224793.6483  0.0225 -6.4979 3  210.8960212  5951614042623 3 4    2524 1 4      C-13-H3C(O)CH3
  224796.3791  0.4703 -7.0999 3 1944.0321D52  595161404845035 2    844936 2      C-13-H3C(O)CH3
  224818.1171  0.0192 -6.4987 3  210.8594212  5951614042623 4 3    2524 2 3      C-13-H3C(O)CH3
  224818.9365  0.0158 -5.4582 3  272.1827504  595161404312110 2    311813 2      C-13-H3C(O)CH3
  224820.4544  0.5092 -6.7601 3 1423.4311B44  595161404714724 2    714626 2      C-13-H3C(O)CH3
  224821.1002  0.6072 -7.0998 3 1944.0354D52  595161404845035 0    844936 0      C-13-H3C(O)CH3
  224835.5226  0.7757 -6.9180 3 1846.9082D20  595161404824735 0    824636 0      C-13-H3C(O)CH3
  224839.2545  0.1760 -5.8800 3 1240.5332A64  595161404664522 2    664423 2      C-13-H3C(O)CH3
  224840.3055  0.3475 -6.5518 3 1240.5818532  595161404664522 3    664422 3      C-13-H3C(O)CH3
  224840.5973  0.0041 -4.4023 3  215.8766520  59516140432 626 0    32 627 0      C-13-H3C(O)CH3
  224840.6272  0.0041 -4.4023 3  215.8766520 -59516140432 726 0    32 527 0      C-13-H3C(O)CH3
  224869.3896  0.9828 -6.9180 3 1846.9084D20  595161404824735 2    824636 2      C-13-H3C(O)CH3
  224882.7266  0.1602 -5.8191 3 1240.4985A64  595161404664521 0    664422 0      C-13-H3C(O)CH3
  224893.4609  1.1009 -7.1703 3 1501.7915588  595161404734826 4    734726 4      C-13-H3C(O)CH3
  224918.6438  0.3364 -6.3212 3 1240.5818532  595161404664521 3    664422 3      C-13-H3C(O)CH3
  224922.6553  0.5647 -7.0995 3 1944.0292D52  595161404845035 1    844936 1      C-13-H3C(O)CH3
  224942.8093  0.0093 -6.6994 3   15.8357136  595161404 8 8 1 0     7 5 2 0      C-13-H3C(O)CH3
  224953.6164  0.3001 -6.3210 3 1240.5780532  595161404664522 3    664423 3      C-13-H3C(O)CH3
  224966.9827  0.0185 -6.8869 3  438.1263648  595161404402318 1    392613 1      C-13-H3C(O)CH3
  224973.4950  0.0063 -6.2858 3  254.6671252  595161404311516 3    301813 3      C-13-H3C(O)CH3
  224976.6091  0.0064 -6.2858 3  254.6670252  595161404311516 4    301813 4      C-13-H3C(O)CH3
  224984.1426  0.1592 -5.8187 3 1240.4947A64  595161404664522 0    664423 0      C-13-H3C(O)CH3
  224984.8301  0.0089 -5.3506 3  304.5087536  595161404332112 0    331815 0      C-13-H3C(O)CH3
  224993.7908  0.0730 -5.8421 3 1111.1936516  595161404643430 3    643331 3      C-13-H3C(O)CH3
  224993.8210  0.0731 -5.8421 3 1111.1937516  595161404643430 4    643331 4      C-13-H3C(O)CH3
  225016.9834  0.0055 -4.4364 3  196.5482504  59516140431 626 2    31 427 2      C-13-H3C(O)CH3
  225016.9834  0.0055 -4.4364 3  196.5482504  59516140431 526 2    31 527 2      C-13-H3C(O)CH3
  225019.7210  0.0059 -4.8704 3  196.5488504  59516140431 526 1    31 527 1      C-13-H3C(O)CH3
  225019.7210  0.0059 -4.8704 3  196.5488504  59516140431 626 1    31 427 1      C-13-H3C(O)CH3
  225019.7210  0.0059 -4.6356 3  196.5488504  59516140431 626 1    31 527 1      C-13-H3C(O)CH3
  225019.7210  0.0059 -4.6356 3  196.5488504  59516140431 526 1    31 427 1      C-13-H3C(O)CH3
  225022.9884  0.0044 -6.2132 3  121.9319172  5951614042114 8 3    211111 3      C-13-H3C(O)CH3
  225026.6809  0.0619 -5.5410 3 1111.1782A32  595161404643430 1    643331 1      C-13-H3C(O)CH3
  225030.0413  0.0064 -5.9842 3  254.6874504  595161404311516 1    301813 1      C-13-H3C(O)CH3
  225031.9548  0.3870 -6.5511 3 1240.5780532  595161404664521 3    664423 3      C-13-H3C(O)CH3
  225036.0652  0.0724 -5.5410 3 1111.1805A32  595161404643430 2    643331 2      C-13-H3C(O)CH3
  225050.7238  0.0102 -5.3519 3  304.4903536  595161404332112 1    331815 1      C-13-H3C(O)CH3
  225057.0621  0.0065 -5.9815 3  254.6821504  595161404311516 2    301813 2      C-13-H3C(O)CH3
  225065.2861  0.1602 -5.8749 3 1240.5434A64  595161404664521 1    664422 1      C-13-H3C(O)CH3
  225068.7395  0.0613 -5.5409 3 1111.1651A32  595161404643430 0    643331 0      C-13-H3C(O)CH3
  225074.0630  0.8658 -6.9558 3 1501.7570B76  595161404734826 2    734726 2      C-13-H3C(O)CH3
  225083.7704  0.0702 -5.8418 3 1111.1941516  595161404643530 4    643431 4      C-13-H3C(O)CH3
  225083.8115  0.0096 -5.3507 3  304.4812536  595161404332112 2    331815 2      C-13-H3C(O)CH3
  225083.8582  0.0700 -5.8418 3 1111.1941516  595161404643530 3    643431 3      C-13-H3C(O)CH3
  225084.8729  0.6922 -7.0064 3 1423.4689572  595161404714724 4    714626 4      C-13-H3C(O)CH3
  225086.3651  0.1489 -5.8794 3 1240.5386A64  595161404664521 2    664422 2      C-13-H3C(O)CH3
  225086.7230  0.0214 -6.9521 3  457.8700664  595161404412319 2    402614 2      C-13-H3C(O)CH3
  225088.4134  0.0070 -4.9850 3  177.8341244  59516140430 426 3    30 427 3      C-13-H3C(O)CH3
  225088.4134  0.0070 -5.2330 3  177.8341244  59516140430 426 3    30 327 3      C-13-H3C(O)CH3
  225088.4134  0.0070 -4.9850 3  177.8341244  59516140430 526 3    30 327 3      C-13-H3C(O)CH3
  225088.4134  0.0070 -5.2330 3  177.8341244  59516140430 526 3    30 427 3      C-13-H3C(O)CH3
  225088.4391  0.0079 -5.8744 3  177.8342244  59516140430 426 4    30 327 4      C-13-H3C(O)CH3
  225088.4391  0.0079 -5.8744 3  177.8342244  59516140430 526 4    30 427 4      C-13-H3C(O)CH3
  225088.4391  0.0079 -4.8279 3  177.8342244  59516140430 526 4    30 327 4      C-13-H3C(O)CH3
  225088.4391  0.0079 -4.8279 3  177.8342244  59516140430 426 4    30 427 4      C-13-H3C(O)CH3
  225108.0175  0.0194 -6.9457 3  137.9309360  5951614042216 6 2    2117 5 2      C-13-H3C(O)CH3
  225110.7741  0.0161 -6.8745 3  438.1430648  595161404402318 0    392613 0      C-13-H3C(O)CH3
  225112.6665  0.0618 -5.5407 3 1111.1786A32  595161404643530 1    643431 1      C-13-H3C(O)CH3
  225112.9723  0.0061 -5.9810 3  254.7024504  595161404311516 0    301813 0      C-13-H3C(O)CH3
  225119.6598  0.0693 -5.5407 3 1111.1809A32  595161404643530 2    643431 2      C-13-H3C(O)CH3
  225131.3833  0.0051 -5.9143 3  121.9210344  5951614042114 8 1    211111 1      C-13-H3C(O)CH3
  225131.7820  0.0156 -5.8322 3  189.9395408  5951614042521 5 0    2422 2 0      C-13-H3C(O)CH3
  225131.8569  0.0156 -5.8322 3  189.9395408  5951614042521 4 0    2422 3 0      C-13-H3C(O)CH3
  225133.9542  0.0079 -5.6527 3  304.4630268  595161404332112 4    331815 4      C-13-H3C(O)CH3
  225148.5176  0.0611 -5.5406 3 1111.1655A32  595161404643530 0    643431 0      C-13-H3C(O)CH3
  225153.7373  0.5729 -6.8197 3 1501.7705B76  595161404734826 1    734726 1      C-13-H3C(O)CH3
  225158.7993  0.0135 -5.6530 3  304.4628268  595161404332112 3    331815 3      C-13-H3C(O)CH3
  225162.5747  0.0175 -7.0284 3  663.9233824  595161404512130 1    502427 1      C-13-H3C(O)CH3
  225162.6762  0.0175 -7.0284 3  663.9233824  595161404512230 1    502327 1      C-13-H3C(O)CH3
  225163.2920  0.3249 -6.7461 3 1759.9649C88  595161404804734 2    804635 2      C-13-H3C(O)CH3
  225172.8708  0.0200 -7.0270 3  663.9223824  595161404512130 2    502427 2      C-13-H3C(O)CH3
  225172.9731  0.0200 -7.0270 3  663.9223824  595161404512230 2    502327 2      C-13-H3C(O)CH3
  225173.0040  0.0046 -4.5123 3   43.7892108 -59516140413 9 5 3    12 8 4 3      C-13-H3C(O)CH3
  225177.0671  0.3958 -6.7460 3 1759.9626C88  595161404804734 0    804635 0      C-13-H3C(O)CH3
  225194.9737  0.0366 -5.5330 3  935.6099476  595161404593029 3    592930 3      C-13-H3C(O)CH3
  225195.0322  0.0367 -5.5330 3  935.6099476  595161404593029 4    592930 4      C-13-H3C(O)CH3
  225195.8500  0.2927 -7.0470 3 1759.9626644  595161404804734 3    804635 3      C-13-H3C(O)CH3
  225196.2334  0.2946 -7.0470 3 1759.9626644  595161404804734 4    804635 4      C-13-H3C(O)CH3
  225198.2990  0.0291 -5.2320 3  935.6004952  595161404593029 1    592930 1      C-13-H3C(O)CH3
  225200.9838  0.0357 -5.2320 3  935.6013952  595161404593029 2    592930 2      C-13-H3C(O)CH3
  225203.6252  0.0363 -5.5330 3  935.6100476  595161404593129 3    593030 3      C-13-H3C(O)CH3
  225203.6587  0.0365 -5.5330 3  935.6100476  595161404593129 4    593030 4      C-13-H3C(O)CH3
  225204.2777  0.0279 -5.2321 3  935.5919952  595161404593029 0    592930 0      C-13-H3C(O)CH3
  225205.7862  0.0138 -7.0283 3  663.9341824  595161404512130 0    502427 0      C-13-H3C(O)CH3
  225205.8775  0.0138 -7.0283 3  663.9341824  595161404512230 0    502327 0      C-13-H3C(O)CH3
  225206.3554  0.0292 -5.2320 3  935.6005952  595161404593129 1    593030 1      C-13-H3C(O)CH3
  225208.8761  0.0354 -5.2320 3  935.6014952  595161404593129 2    593030 2      C-13-H3C(O)CH3
  225210.3607  0.3841 -6.7459 3 1759.9603C88  595161404804734 1    804635 1      C-13-H3C(O)CH3
  225211.6253  0.0279 -5.2320 3  935.5919952  595161404593129 0    593030 0      C-13-H3C(O)CH3
  225234.4474  0.3767 -6.7337 3 1240.5378A64  595161404664521 1    664423 1      C-13-H3C(O)CH3
  225237.5033  0.0098 -4.9094 3  741.9700856  595161404532528 0    532429 0      C-13-H3C(O)CH3
  225237.6839  0.0098 -4.9094 3  741.9700856  595161404532628 0    532529 0      C-13-H3C(O)CH3
  225245.3229  0.0047 -4.2298 3   43.7439216 -59516140413 9 5 1    12 8 4 1      C-13-H3C(O)CH3
  225249.9908  0.4031 -6.7021 3 1240.5332A64  595161404664521 2    664423 2      C-13-H3C(O)CH3
  225250.0689  0.1636 -6.1385 3 1240.5845532  595161404664521 4    664422 4      C-13-H3C(O)CH3
  225255.5220  0.0043 -4.5720 3  513.2074728  595161404451827 0    451728 0      C-13-H3C(O)CH3
  225255.5222  0.0043 -4.5720 3  513.2074728  595161404451927 0    451828 0      C-13-H3C(O)CH3
  225259.7238  0.0052 -4.8693 3  196.5294504  59516140431 626 0    31 527 0      C-13-H3C(O)CH3
  225259.7238  0.0052 -4.8693 3  196.5294504  59516140431 526 0    31 427 0      C-13-H3C(O)CH3
  225259.7473  0.0052 -4.6342 3  196.5294504 -59516140431 626 0    31 427 0      C-13-H3C(O)CH3
  225259.7473  0.0052 -4.6342 3  196.5294504 -59516140431 526 0    31 527 0      C-13-H3C(O)CH3
  225260.8552  0.0048 -5.9122 3  121.9178344  5951614042114 8 2    211111 2      C-13-H3C(O)CH3
  225268.4996  0.0147 -4.9091 3  741.9649856  595161404532528 2    532429 2      C-13-H3C(O)CH3
  225268.7005  0.0147 -4.9091 3  741.9649856  595161404532628 2    532529 2      C-13-H3C(O)CH3
  225269.6729  0.0109 -4.9091 3  741.9653856  595161404532528 1    532429 1      C-13-H3C(O)CH3
  225269.8748  0.0109 -4.9091 3  741.9653856  595161404532628 1    532529 1      C-13-H3C(O)CH3
  225290.1024  0.0053 -4.5717 3  513.1812728  595161404451827 2    451728 2      C-13-H3C(O)CH3
  225290.1027  0.0053 -4.5717 3  513.1812728  595161404451927 2    451828 2      C-13-H3C(O)CH3
  225294.3051  0.0048 -4.5717 3  513.1825728  595161404451827 1    451728 1      C-13-H3C(O)CH3
  225294.3053  0.0048 -4.5717 3  513.1825728  595161404451927 1    451828 1      C-13-H3C(O)CH3
  225300.7263  0.0152 -5.2100 3  741.9602428  595161404532528 3    532429 3      C-13-H3C(O)CH3
  225300.8295  0.0153 -5.2100 3  741.9602428  595161404532528 4    532429 4      C-13-H3C(O)CH3
  225300.9509  0.0152 -5.2100 3  741.9602428  595161404532628 3    532529 3      C-13-H3C(O)CH3
  225301.0527  0.0153 -5.2100 3  741.9602428  595161404532628 4    532529 4      C-13-H3C(O)CH3
  225306.6340  0.0174 -6.9474 3  457.8675664  595161404412319 1    402614 1      C-13-H3C(O)CH3
  225311.9925  0.0037 -5.3661 3   22.1113 84  59516140410 6 5 4     9 3 6 4      C-13-H3C(O)CH3
  225324.0702  0.0094 -6.9340 3   15.9021136  595161404 8 8 0 1     7 5 2 1      C-13-H3C(O)CH3
  225328.9536  0.0055 -4.8725 3  513.1563364  595161404451827 3    451728 3      C-13-H3C(O)CH3
  225328.9538  0.0055 -4.8725 3  513.1563364  595161404451927 3    451828 3      C-13-H3C(O)CH3
  225328.9706  0.0055 -4.8725 3  513.1562364  595161404451827 4    451728 4      C-13-H3C(O)CH3
  225328.9709  0.0055 -4.8725 3  513.1562364  595161404451927 4    451828 4      C-13-H3C(O)CH3
  225344.3013  0.0030 -5.3660 3   22.1113 84  59516140410 6 5 3     9 3 6 3      C-13-H3C(O)CH3
  225368.0807  0.0073 -5.4263 3  177.8038488  59516140430 426 2    30 427 2      C-13-H3C(O)CH3
  225368.0807  0.0073 -5.4263 3  177.8038488  59516140430 526 2    30 327 2      C-13-H3C(O)CH3
  225368.2663  0.0073 -4.5412 3  177.8038488 -59516140430 526 2    30 427 2      C-13-H3C(O)CH3
  225368.2663  0.0073 -4.5412 3  177.8038488 -59516140430 426 2    30 327 2      C-13-H3C(O)CH3
  225368.4033  0.0083 -4.8843 3  159.6959236  59516140429 426 3    29 327 3      C-13-H3C(O)CH3
  225368.4033  0.0083 -6.4096 3  159.6959236  59516140429 326 3    29 327 3      C-13-H3C(O)CH3
  225368.4033  0.0083 -4.8843 3  159.6959236  59516140429 326 3    29 227 3      C-13-H3C(O)CH3
  225368.4033  0.0083 -6.4096 3  159.6959236  59516140429 426 3    29 227 3      C-13-H3C(O)CH3
  225368.5673  0.0092 -6.4567 3  159.6959236  59516140429 326 4    29 227 4      C-13-H3C(O)CH3
  225368.5673  0.0092 -4.8830 3  159.6959236  59516140429 426 4    29 227 4      C-13-H3C(O)CH3
  225368.5673  0.0092 -6.4567 3  159.6959236  59516140429 426 4    29 327 4      C-13-H3C(O)CH3
  225368.5673  0.0092 -4.8830 3  159.6959236  59516140429 326 4    29 327 4      C-13-H3C(O)CH3
  225369.9480  0.0179 -5.0940 3  542.3460664  5951614044138 4 2    4137 5 2      C-13-H3C(O)CH3
  225370.2330  0.0077 -4.9209 3  177.8043488  59516140430 426 1    30 327 1      C-13-H3C(O)CH3
  225370.2330  0.0077 -4.6883 3  177.8043488  59516140430 526 1    30 327 1      C-13-H3C(O)CH3
  225370.2330  0.0077 -4.9209 3  177.8043488  59516140430 526 1    30 427 1      C-13-H3C(O)CH3
  225370.2330  0.0077 -4.6883 3  177.8043488  59516140430 426 1    30 427 1      C-13-H3C(O)CH3
  225379.1200  0.0053 -4.2238 3   43.7408216 -59516140413 9 5 2    12 8 4 2      C-13-H3C(O)CH3
  225391.9591  0.0095 -5.8625 3  152.5075196  595161404241312 4    2314 9 4      C-13-H3C(O)CH3
  225403.3035  0.0084 -5.8625 3  152.5071196  595161404241312 3    2314 9 3      C-13-H3C(O)CH3
  225404.7979  0.0240 -5.3946 3  542.3080332  5951614044138 4 4    4137 5 4      C-13-H3C(O)CH3
  225413.7964  0.0152 -5.8315 3  189.8634408  5951614042521 5 1    2422 3 1      C-13-H3C(O)CH3
  225415.1312  0.0097 -6.9421 3   15.9008136  595161404 8 8 0 2     7 5 2 2      C-13-H3C(O)CH3
  225421.2325  0.0141 -5.8300 3  189.9191408  5951614042521 4 2    2422 2 2      C-13-H3C(O)CH3
  225453.6188  0.3075 -6.2842 3 1501.7363B76  595161404734825 0    734726 0      C-13-H3C(O)CH3
  225474.6419  0.0165 -6.9421 3  457.8834664  595161404412319 0    402614 0      C-13-H3C(O)CH3
  225505.9048  0.0047 -5.9070 3  121.9069344  5951614042114 8 0    211111 0      C-13-H3C(O)CH3
  225533.9070  0.0151 -5.8301 3  189.9011408  5951614042521 4 1    2422 2 1      C-13-H3C(O)CH3
  225538.0872  0.0182 -5.8374 3  121.9057172  5951614042114 8 4    2015 5 4      C-13-H3C(O)CH3
  225538.7089  0.0192 -7.1215 3  137.9170360  5951614042216 6 1    2117 5 1      C-13-H3C(O)CH3
  225539.4329  0.7711 -6.8214 3 1788.5396C88  595161404805130 2    805031 2      C-13-H3C(O)CH3
  225541.5560  0.3402 -6.5892 3 1501.7910588  595161404734825 3    734726 3      C-13-H3C(O)CH3
  225543.4125  0.0162 -5.0938 3  542.3794664  5951614044138 4 0    4137 4 0      C-13-H3C(O)CH3
  225543.4125  0.0162 -5.0938 3  542.3794664  5951614044138 3 0    4137 5 0      C-13-H3C(O)CH3
  225544.1282  0.2230 -6.4020 3 1417.9679580  595161404724032 3    723933 3      C-13-H3C(O)CH3
  225544.1627  0.2225 -6.4020 3 1417.9679580  595161404724032 4    723933 4      C-13-H3C(O)CH3
  225546.3827  0.0072 -5.5591 3  152.5042392  595161404241312 1    2314 9 1      C-13-H3C(O)CH3
  225548.7470  0.0035 -5.0640 3   22.0491168  59516140410 6 5 1     9 3 6 1      C-13-H3C(O)CH3
  225550.2475  0.0037 -5.0640 3   22.0483168  59516140410 6 5 2     9 3 6 2      C-13-H3C(O)CH3
  225552.5604  0.0031 -5.8432 3   84.3833188 -59516140423 123 4    22 022 4      C-13-H3C(O)CH3
  225552.5604  0.0031 -4.3208 3   84.3833188 -59516140423 023 3    22 022 3      C-13-H3C(O)CH3
  225552.5604  0.0031 -5.8432 3   84.3833188 -59516140423 023 4    22 122 4      C-13-H3C(O)CH3
  225552.5604  0.0031 -4.1312 3   84.3833188 -59516140423 123 3    22 022 3      C-13-H3C(O)CH3
  225552.5745  0.0031 -4.3208 3   84.3833188  59516140423 123 3    22 122 3      C-13-H3C(O)CH3
  225552.5745  0.0031 -4.1312 3   84.3833188  59516140423 023 3    22 122 3      C-13-H3C(O)CH3
  225552.5763  0.0031 -3.9199 3   84.3833188  59516140423 023 4    22 022 4      C-13-H3C(O)CH3
  225552.5763  0.0031 -3.9199 3   84.3833188  59516140423 123 4    22 122 4      C-13-H3C(O)CH3
  225558.6754  0.0035 -5.9408 3   84.3128376  59516140423 023 1    22 122 1      C-13-H3C(O)CH3
  225558.6754  0.0035 -5.9408 3   84.3128376  59516140423 123 1    22 022 1      C-13-H3C(O)CH3
  225558.7652  0.0035 -3.6156 3   84.3128376 -59516140423 123 1    22 122 1      C-13-H3C(O)CH3
  225558.7652  0.0034 -4.5914 3   84.3123376 -59516140423 123 2    22 022 2      C-13-H3C(O)CH3
  225558.7652  0.0035 -3.6156 3   84.3128376 -59516140423 023 1    22 022 1      C-13-H3C(O)CH3
  225558.7652  0.0034 -3.6618 3   84.3123376 -59516140423 023 2    22 022 2      C-13-H3C(O)CH3
  225558.7860  0.0034 -3.6618 3   84.3123376  59516140423 123 2    22 122 2      C-13-H3C(O)CH3
  225558.7860  0.0034 -4.5914 3   84.3123376  59516140423 023 2    22 122 2      C-13-H3C(O)CH3
  225562.7718  0.0155 -5.8302 3  189.8725408  5951614042521 5 2    2422 3 2      C-13-H3C(O)CH3
  225564.8670  0.0032 -4.0975 3   84.2419376  59516140423 123 0    22 022 0      C-13-H3C(O)CH3
  225564.8670  0.0032 -3.7860 3   84.2419376  59516140423 023 0    22 022 0      C-13-H3C(O)CH3
  225564.8961  0.0032 -3.7860 3   84.2419376 -59516140423 123 0    22 122 0      C-13-H3C(O)CH3
  225564.8961  0.0032 -4.0975 3   84.2419376 -59516140423 023 0    22 122 0      C-13-H3C(O)CH3
  225577.6586  0.0190 -5.0934 3  542.3413664  5951614044138 4 1    4137 5 1      C-13-H3C(O)CH3
  225594.8405  0.0210 -5.3944 3  542.3615332  5951614044138 3 3    4137 4 3      C-13-H3C(O)CH3
  225598.9921  0.1854 -6.1007 3 1417.9550B60  595161404724032 1    723933 1      C-13-H3C(O)CH3
  225602.3000  0.4680 -6.8138 3 1788.5396C88  595161404805130 0    805031 0      C-13-H3C(O)CH3
  225603.2393  0.0172 -5.0935 3  542.3783664  5951614044138 3 2    4137 4 2      C-13-H3C(O)CH3
  225618.6593  0.0099 -6.1868 3  142.1539228  59516140428 326 3    28 127 3      C-13-H3C(O)CH3
  225618.6593  0.0099 -5.0343 3  142.1539228  59516140428 326 3    28 227 3      C-13-H3C(O)CH3
  225618.6593  0.0099 -6.1868 3  142.1539228  59516140428 226 3    28 227 3      C-13-H3C(O)CH3
  225618.6593  0.0099 -5.0343 3  142.1539228  59516140428 226 3    28 127 3      C-13-H3C(O)CH3
  225619.0004  0.0108 -5.0353 3  142.1540228  59516140428 226 4    28 127 4      C-13-H3C(O)CH3
  225619.0004  0.0108 -6.1728 3  142.1540228  59516140428 326 4    28 127 4      C-13-H3C(O)CH3
  225619.0004  0.0108 -5.0353 3  142.1540228  59516140428 326 4    28 227 4      C-13-H3C(O)CH3
  225619.0004  0.0108 -6.1728 3  142.1540228  59516140428 226 4    28 227 4      C-13-H3C(O)CH3
  225636.7201  0.0213 -5.3942 3  542.3403332  5951614044138 4 3    4137 5 3      C-13-H3C(O)CH3
  225646.2059  0.2275 -6.1006 3 1417.9596B60  595161404724032 2    723933 2      C-13-H3C(O)CH3
  225647.4727  0.9100 -7.1280 3 1788.5584644  595161404805130 4    805031 4      C-13-H3C(O)CH3
  225649.2701  0.0068 -5.1426 3  177.7740488 -59516140430 526 0    30 427 0      C-13-H3C(O)CH3
  225649.2701  0.0068 -5.1426 3  177.7740488 -59516140430 426 0    30 327 0      C-13-H3C(O)CH3
  225649.2924  0.0068 -4.5950 3  177.7740488  59516140430 526 0    30 327 0      C-13-H3C(O)CH3
  225649.2924  0.0068 -4.5950 3  177.7740488  59516140430 426 0    30 427 0      C-13-H3C(O)CH3
  225665.1155  0.4511 -6.4337 3 1501.7705B76  595161404734825 1    734726 1      C-13-H3C(O)CH3
  225672.2274  0.3604 -6.3880 3 1501.7570B76  595161404734825 2    734726 2      C-13-H3C(O)CH3
  225689.4896  0.0097 -5.0670 3  159.6535472  59516140429 426 2    29 327 2      C-13-H3C(O)CH3
  225689.4896  0.0097 -4.7347 3  159.6535472  59516140429 326 2    29 327 2      C-13-H3C(O)CH3
  225689.4896  0.0097 -5.0670 3  159.6535472  59516140429 326 2    29 227 2      C-13-H3C(O)CH3
  225689.4896  0.0097 -4.7347 3  159.6535472  59516140429 426 2    29 227 2      C-13-H3C(O)CH3
  225690.8440  0.0102 -4.5752 3  159.6539472 -59516140429 326 1    29 327 1      C-13-H3C(O)CH3
  225690.8440  0.0102 -4.5752 3  159.6539472 -59516140429 426 1    29 227 1      C-13-H3C(O)CH3
  225691.0054  0.0102 -6.4177 3  159.6539472  59516140429 326 1    29 227 1      C-13-H3C(O)CH3
  225691.0054  0.0102 -6.4177 3  159.6539472  59516140429 426 1    29 327 1      C-13-H3C(O)CH3
  225700.0007  0.0158 -6.1304 3  189.8429204  5951614042521 4 3    2422 2 3      C-13-H3C(O)CH3
  225700.5814  0.1871 -6.1004 3 1417.9467B60  595161404724032 0    723933 0      C-13-H3C(O)CH3
  225702.5838  0.6891 -7.1179 3 1788.5579644  595161404805130 3    805031 3      C-13-H3C(O)CH3
  225703.4502  0.0091 -7.1893 3   15.9704 68  595161404 8 8 0 4     7 5 2 4      C-13-H3C(O)CH3
  225737.3193  0.5179 -6.8144 3 1788.5582C88  595161404805130 1    805031 1      C-13-H3C(O)CH3
  225748.6442  0.0164 -6.5066 3  117.2691328  5951614042016 4 1    2013 7 1      C-13-H3C(O)CH3
  225757.3212  0.0036 -4.2059 3   43.6927216 -59516140413 9 5 0    12 8 4 0      C-13-H3C(O)CH3
  225769.4315  0.0172 -5.0932 3  542.3949664  5951614044138 3 1    4137 4 1      C-13-H3C(O)CH3
  225770.6468  0.0039 -5.0629 3   21.9863168  59516140410 6 5 0     9 3 6 0      C-13-H3C(O)CH3
  225785.6149  0.0070 -5.5527 3  152.4921392  595161404241312 2    2314 9 2      C-13-H3C(O)CH3
  225805.2657  0.0087 -5.7327 3  171.6658408  595161404251510 2    251213 2      C-13-H3C(O)CH3
  225808.2677  0.0083 -5.7309 3  171.6707408  595161404251510 0    251213 0      C-13-H3C(O)CH3
  225816.8998  0.0128 -6.2575 3  117.2494328  5951614042016 4 0    2013 7 0      C-13-H3C(O)CH3
  225821.8128  0.0182 -6.1290 3  189.8806204  5951614042521 4 4    2422 2 4      C-13-H3C(O)CH3
  225828.8343  0.0213 -5.3939 3  542.3937332  5951614044138 3 4    4137 4 4      C-13-H3C(O)CH3
  225839.9775  0.0160 -6.1305 3  189.7964204  5951614042521 5 4    2422 3 4      C-13-H3C(O)CH3
  225841.2889  0.0118 -5.2642 3  125.2093220  59516140427 226 3    27 127 3      C-13-H3C(O)CH3
  225841.2889  0.0118 -5.2642 3  125.2093220  59516140427 126 3    27 027 3      C-13-H3C(O)CH3
  225841.8500  0.0127 -5.3873 3  125.2093220  59516140427 226 4    27 027 4      C-13-H3C(O)CH3
  225841.8500  0.0127 -5.8697 3  125.2093220  59516140427 226 4    27 127 4      C-13-H3C(O)CH3
  225841.8500  0.0127 -5.3873 3  125.2093220  59516140427 126 4    27 127 4      C-13-H3C(O)CH3
  225841.8500  0.0127 -5.8697 3  125.2093220  59516140427 126 4    27 027 4      C-13-H3C(O)CH3
  225874.0171  0.0321 -5.5245 3  860.6792436  595161404544113 4    544014 4      C-13-H3C(O)CH3
  225914.7829  0.0120 -4.6668 3   39.3137100 -5951614041210 3 3    11 9 2 3      C-13-H3C(O)CH3
  225930.2525  0.0063 -5.5504 3  152.4892392  595161404241312 0    2314 9 0      C-13-H3C(O)CH3
  225948.5052  0.4504 -6.7153 3 1501.7915588  595161404734825 4    734726 4      C-13-H3C(O)CH3
  225956.7544  0.0193 -5.3308 3  653.4989372  5951614044639 8 4    4638 9 4      C-13-H3C(O)CH3
  225961.3595  0.0152 -6.1292 3  189.8340204  5951614042521 5 3    2422 3 3      C-13-H3C(O)CH3
  225967.1026  0.0276 -5.5241 3  860.6718436  595161404544114 3    544015 3      C-13-H3C(O)CH3
  225973.1166  0.0149 -5.0299 3  653.5102744  5951614044639 8 2    4638 9 2      C-13-H3C(O)CH3
  225980.5751  0.0221 -6.7779 3  117.2846164  5951614042016 4 4    2013 7 4      C-13-H3C(O)CH3
  225983.2639  0.0127 -4.7070 3  142.0983456  59516140428 226 2    28 227 2      C-13-H3C(O)CH3
  225983.2639  0.0127 -4.7070 3  142.0983456  59516140428 326 2    28 127 2      C-13-H3C(O)CH3
  225983.2639  0.0127 -6.6159 3  142.0983456  59516140428 326 2    28 227 2      C-13-H3C(O)CH3
  225983.2639  0.0127 -6.6159 3  142.0983456  59516140428 226 2    28 127 2      C-13-H3C(O)CH3
  225983.5577  0.0245 -5.2231 3  860.6446872  595161404544114 2    544014 2      C-13-H3C(O)CH3
  225984.0968  0.0132 -5.2127 3  142.0987456  59516140428 326 1    28 127 1      C-13-H3C(O)CH3
  225984.0968  0.0132 -4.8621 3  142.0987456  59516140428 326 1    28 227 1      C-13-H3C(O)CH3
  225984.0968  0.0132 -4.8237 3  142.0987456  59516140428 226 1    28 127 1      C-13-H3C(O)CH3
  225984.0968  0.0132 -5.3137 3  142.0987456  59516140428 226 1    28 227 1      C-13-H3C(O)CH3
  225989.0608  0.0029 -6.8120 3   42.8616108  59516140413 8 5 4    12 7 5 4      C-13-H3C(O)CH3
  226002.4313  0.0190 -5.3308 3  653.5146372  5951614044639 8 3    4638 9 3      C-13-H3C(O)CH3
  226005.7126  0.0126 -5.3304 3  324.4196552  595161404342212 1    341915 1      C-13-H3C(O)CH3
  226011.3632  0.0092 -4.5674 3  159.6116472  59516140429 426 0    29 227 0      C-13-H3C(O)CH3
  226011.3632  0.0092 -4.5674 3  159.6116472  59516140429 326 0    29 327 0      C-13-H3C(O)CH3
  226015.1780  0.0066 -7.2104 3   54.1673232  5951614041411 3 0    14 6 8 0      C-13-H3C(O)CH3
  226020.0302  0.0147 -5.0299 3  653.5258744  5951614044639 7 2    4638 8 2      C-13-H3C(O)CH3
  226031.9422  0.0114 -5.3300 3  324.4380552  595161404342212 0    341915 0      C-13-H3C(O)CH3
  226043.8411  0.1246 -6.1088 3 1260.1543548  595161404683731 3    683632 3      C-13-H3C(O)CH3
  226043.8708  0.1245 -6.1088 3 1260.1544548  595161404683731 4    683632 4      C-13-H3C(O)CH3
  226051.9744  0.0107 -6.4563 3   95.6720296  5951614041815 4 0    1812 7 0      C-13-H3C(O)CH3
  226057.7723  0.0181 -5.3307 3  653.5316372  5951614044639 7 3    4638 8 3      C-13-H3C(O)CH3
  226067.3869  0.0230 -5.2229 3  860.6355872  595161404544113 1    544014 1      C-13-H3C(O)CH3
  226074.8153  0.0265 -5.5239 3  860.6757436  595161404544113 3    544014 3      C-13-H3C(O)CH3
  226085.5776  0.0029 -4.2911 3   39.2407100 -5951614041210 3 4    11 9 3 4      C-13-H3C(O)CH3
  226087.9637  0.0162 -5.0296 3  653.4959744  5951614044639 8 1    4638 9 1      C-13-H3C(O)CH3
  226092.2432  0.1063 -5.8076 3 1260.1385A96  595161404683731 1    683632 1      C-13-H3C(O)CH3
  226095.4758  0.0102 -6.0381 3  171.6650204  595161404251510 3    251213 3      C-13-H3C(O)CH3
  226097.1857  0.0088 -5.7353 3  171.6699408  595161404251510 1    251213 1      C-13-H3C(O)CH3
  226098.3511  0.0035 -7.1745 3   42.8063216  59516140413 8 5 2    12 7 5 2      C-13-H3C(O)CH3
  226100.6714  0.0132 -6.0381 3  171.6650204  595161404251510 4    251213 4      C-13-H3C(O)CH3
  226104.0374  0.0183 -5.3307 3  653.5471372  5951614044639 7 4    4638 8 4      C-13-H3C(O)CH3
  226105.0817  0.0144 -5.0297 3  653.5072744  5951614044639 7 0    4638 8 0      C-13-H3C(O)CH3
  226105.0817  0.0144 -5.0297 3  653.5072744  5951614044639 8 0    4638 9 0      C-13-H3C(O)CH3
  226105.4038  0.0160 -6.5187 3  117.2628328  5951614042016 4 2    2013 7 2      C-13-H3C(O)CH3
  226109.6419  0.0030 -7.0439 3   42.8110216  59516140413 8 5 1    12 7 5 1      C-13-H3C(O)CH3
  226113.0307  0.1252 -5.8075 3 1260.1419A96  595161404683731 2    683632 2      C-13-H3C(O)CH3
  226123.7865  0.0062 -6.5428 3   86.0665148  5951614041811 8 4    18 811 4      C-13-H3C(O)CH3
  226147.4674  0.2368 -6.7115 3 1584.5957612  595161404764433 4    764334 4      C-13-H3C(O)CH3
  226147.5681  0.2357 -6.7115 3 1584.5957612  595161404764433 3    764334 3      C-13-H3C(O)CH3
  226156.1549  0.0036 -4.5254 3   39.3137100  5951614041210 2 3    11 9 2 3      C-13-H3C(O)CH3
  226159.7575  0.0234 -5.2226 3  860.6281872  595161404544114 1    544015 1      C-13-H3C(O)CH3
  226161.0418  0.1064 -5.8074 3 1260.1262A96  595161404683731 0    683632 0      C-13-H3C(O)CH3
  226161.4634  0.0047 -6.5426 3   86.0664148  5951614041811 8 3    18 811 3      C-13-H3C(O)CH3
  226166.7746  0.2408 -6.4104 3 1584.5925C24  595161404764433 2    764334 2      C-13-H3C(O)CH3
  226167.0992  0.0255 -5.5236 3  860.6683436  595161404544114 4    544015 4      C-13-H3C(O)CH3
  226171.8705  0.2578 -6.4104 3 1584.5876C24  595161404764433 1    764334 1      C-13-H3C(O)CH3
  226176.2253  0.0218 -5.2225 3  860.6010872  595161404544113 0    544014 0      C-13-H3C(O)CH3
  226176.2618  0.0218 -5.2225 3  860.6010872  595161404544114 0    544015 0      C-13-H3C(O)CH3
  226183.4516  0.0231 -5.2225 3  860.6411872  595161404544113 2    544015 2      C-13-H3C(O)CH3
  226190.1774  0.0150 -5.0295 3  653.5285744  5951614044639 7 1    4638 8 1      C-13-H3C(O)CH3
  226190.9946  0.2600 -6.4103 3 1584.5844C24  595161404764433 0    764334 0      C-13-H3C(O)CH3
  226203.8622  0.0114 -5.6319 3  324.3899276  595161404342212 4    341915 4      C-13-H3C(O)CH3
  226223.6705  0.6343 -6.7138 3 1501.7472588  595161404734826 4    734727 4      C-13-H3C(O)CH3
  226227.3973  0.0040 -4.5357 3  486.2437712  595161404441727 0    441628 0      C-13-H3C(O)CH3
  226227.3974  0.0040 -4.5357 3  486.2437712  595161404441827 0    441728 0      C-13-H3C(O)CH3
  226227.5424  0.0156 -5.6325 3  324.3897276  595161404342212 3    341915 3      C-13-H3C(O)CH3
  226245.7427  0.0968 -5.9461 3 1138.5801508  595161404634420 4    634321 4      C-13-H3C(O)CH3
  226248.3328  0.0125 -5.3309 3  324.4081552  595161404342212 2    341915 2      C-13-H3C(O)CH3
  226251.3316  0.0163 -5.7130 3  125.1392440  59516140427 226 2    27 027 2      C-13-H3C(O)CH3
  226251.3316  0.0163 -5.0450 3  125.1392440  59516140427 226 2    27 127 2      C-13-H3C(O)CH3
  226251.3316  0.0163 -5.0450 3  125.1392440  59516140427 126 2    27 027 2      C-13-H3C(O)CH3
  226251.3316  0.0163 -5.7130 3  125.1392440  59516140427 126 2    27 127 2      C-13-H3C(O)CH3
  226251.4408  0.0168 -4.9874 3  125.1397440  59516140427 226 1    27 027 1      C-13-H3C(O)CH3
  226251.4408  0.0168 -6.1844 3  125.1397440  59516140427 226 1    27 127 1      C-13-H3C(O)CH3
  226251.4408  0.0168 -4.9874 3  125.1397440  59516140427 126 1    27 127 1      C-13-H3C(O)CH3
  226251.4408  0.0168 -6.1844 3  125.1397440  59516140427 126 1    27 027 1      C-13-H3C(O)CH3
  226255.7895  0.0048 -4.5354 3  486.2158712  595161404441827 2    441728 2      C-13-H3C(O)CH3
  226255.7895  0.0048 -4.5354 3  486.2158712  595161404441727 2    441628 2      C-13-H3C(O)CH3
  226260.1561  0.0046 -4.5354 3  486.2171712  595161404441727 1    441628 1      C-13-H3C(O)CH3
  226260.1562  0.0046 -4.5354 3  486.2171712  595161404441827 1    441728 1      C-13-H3C(O)CH3
  226270.7060  0.0037 -4.5250 3   39.3018100 -5951614041210 3 3    11 9 3 3      C-13-H3C(O)CH3
  226288.5953  0.0051 -4.8362 3  486.1892356  595161404441727 4    441628 4      C-13-H3C(O)CH3
  226288.5954  0.0051 -4.8362 3  486.1892356  595161404441827 4    441728 4      C-13-H3C(O)CH3
  226288.6073  0.0051 -4.8363 3  486.1892356  595161404441727 3    441628 3      C-13-H3C(O)CH3
  226288.6074  0.0051 -4.8363 3  486.1892356  595161404441827 3    441728 3      C-13-H3C(O)CH3
  226342.3777  0.0022 -4.2886 3   39.3747100 -5951614041210 2 4    11 9 2 4      C-13-H3C(O)CH3
  226345.7467  0.0047 -6.2372 3   86.0369296  5951614041811 8 2    18 811 2      C-13-H3C(O)CH3
  226347.8365  0.0121 -5.2858 3  142.0432456  59516140428 226 0    28 227 0      C-13-H3C(O)CH3
  226347.8365  0.0121 -6.0121 3  142.0432456  59516140428 326 0    28 127 0      C-13-H3C(O)CH3
  226347.8365  0.0121 -4.8304 3  142.0432456  59516140428 326 0    28 227 0      C-13-H3C(O)CH3
  226347.8365  0.0121 -4.7217 3  142.0432456  59516140428 226 0    28 127 0      C-13-H3C(O)CH3
  226360.4266  0.0028 -3.9908 3   39.2317200 -5951614041210 3 1    11 9 3 1      C-13-H3C(O)CH3
  226365.2218  0.0046 -6.2384 3   86.0386296  5951614041811 8 1    18 811 1      C-13-H3C(O)CH3
  226382.6430  0.1115 -6.1075 3 1260.1562548  595161404683831 4    683732 4      C-13-H3C(O)CH3
  226382.8236  0.1112 -6.1075 3 1260.1562548  595161404683831 3    683732 3      C-13-H3C(O)CH3
  226396.3802  0.0148 -6.8559 3   95.6868296  5951614041815 3 1    1812 7 1      C-13-H3C(O)CH3
  226399.8401  0.0027 -3.9912 3   39.2385200 -5951614041210 3 2    11 9 3 2      C-13-H3C(O)CH3
  226402.8429  0.1147 -5.6454 3 1138.5363A16  595161404634420 1    634321 1      C-13-H3C(O)CH3
  226405.7356  0.5241 -6.3851 3 1501.7126B76  595161404734826 2    734727 2      C-13-H3C(O)CH3
  226410.9882  0.0118 -5.4218 3  121.8783344  5951614042114 8 1    2015 5 1      C-13-H3C(O)CH3
  226419.4202  0.0114 -5.3884 3  121.8791344  5951614042114 8 2    2015 5 2      C-13-H3C(O)CH3
  226421.1128  0.1040 -5.8064 3 1260.1403A96  595161404683831 1    683732 1      C-13-H3C(O)CH3
  226427.5183  0.5290 -6.4306 3 1501.7281B76  595161404734826 1    734727 1      C-13-H3C(O)CH3
  226431.3706  0.1111 -5.8064 3 1260.1436A96  595161404683831 2    683732 2      C-13-H3C(O)CH3
  226459.4997  0.1005 -5.6490 3 1138.5380A16  595161404634420 2    634321 2      C-13-H3C(O)CH3
  226469.7785  0.1039 -5.8062 3 1260.1278A96  595161404683831 0    683732 0      C-13-H3C(O)CH3
  226471.1778  0.0026 -3.9855 3   39.2345200 -5951614041210 3 0    11 9 2 0      C-13-H3C(O)CH3
  226478.9160  0.0024 -3.9896 3   39.3025200 -5951614041210 2 1    11 9 2 1      C-13-H3C(O)CH3
  226480.5716  0.0209 -5.1719 3  523.0949648  5951614044038 3 2    4037 4 2      C-13-H3C(O)CH3
  226491.4853  1.0125 -7.1681 3 1582.1607C08  595161404754927 2    754827 2      C-13-H3C(O)CH3
  226512.2408  0.0120 -4.6652 3   39.3018100  5951614041210 2 3    11 9 3 3      C-13-H3C(O)CH3
  226512.8590  0.0027 -3.9899 3   39.3023200 -5951614041210 2 2    11 9 2 2      C-13-H3C(O)CH3
  226538.3855  0.0274 -5.4725 3  523.0520324  5951614044038 3 4    4037 4 4      C-13-H3C(O)CH3
  226545.0367  0.2881 -6.2801 3 1501.6933B76  595161404734826 0    734727 0      C-13-H3C(O)CH3
  226545.9931  0.0855 -5.9504 3 1138.5854508  595161404634419 3    634320 3      C-13-H3C(O)CH3
  226548.7038  0.0982 -5.9504 3 1138.5829508  595161404634420 3    634321 3      C-13-H3C(O)CH3
  226559.6565  0.0087 -5.8597 3  212.1048456  595161404281513 2    271810 2      C-13-H3C(O)CH3
  226567.9784  0.0046 -6.2339 3   86.0091296  5951614041811 8 0    18 811 0      C-13-H3C(O)CH3
  226569.9623  0.0140 -6.8388 3   95.6874296  5951614041815 3 2    1812 7 2      C-13-H3C(O)CH3
  226590.9756  0.0082 -5.8569 3  212.1198456  595161404281513 0    271810 0      C-13-H3C(O)CH3
  226606.4489  0.1110 -5.6432 3 1138.4947A16  595161404634419 0    634320 0      C-13-H3C(O)CH3
  226610.4698  0.0215 -5.4006 3  753.0161404  595161404504011 3    503912 3      C-13-H3C(O)CH3
  226621.6971  0.0241 -5.4007 3  753.0344404  595161404504010 4    503911 4      C-13-H3C(O)CH3
  226624.1218  0.1109 -5.6432 3 1138.4941A16  595161404634420 0    634321 0      C-13-H3C(O)CH3
  226624.4374  0.0038 -6.2700 3   12.7434 76  595161404 9 2 7 3     8 1 8 3      C-13-H3C(O)CH3
  226624.5651  0.6424 -7.0826 3 1582.1763C08  595161404754927 1    754827 1      C-13-H3C(O)CH3
  226624.5919  0.0046 -6.2700 3   12.7434 76  595161404 9 2 7 4     8 1 8 4      C-13-H3C(O)CH3
  226629.7502  0.0038 -6.2700 3   12.7434 76  595161404 9 3 7 3     8 0 8 3      C-13-H3C(O)CH3
  226629.8248  0.0046 -6.2700 3   12.7434 76  595161404 9 3 7 4     8 0 8 4      C-13-H3C(O)CH3
  226630.7696  0.3254 -6.5852 3 1501.7475588  595161404734826 3    734727 3      C-13-H3C(O)CH3
  226631.2280  0.0055 -4.7093 3   36.2296100  59516140412 8 4 3    11 7 5 3      C-13-H3C(O)CH3
  226641.3966  0.0180 -5.0996 3  753.0066808  595161404504010 2    503911 2      C-13-H3C(O)CH3
  226652.2815  0.0188 -5.1718 3  523.1374648  5951614044038 2 0    4037 3 0      C-13-H3C(O)CH3
  226652.2815  0.0188 -5.1718 3  523.1374648  5951614044038 3 0    4037 4 0      C-13-H3C(O)CH3
  226660.4659  0.0158 -4.9860 3  125.0698440  59516140427 126 0    27 127 0      C-13-H3C(O)CH3
  226660.4659  0.0158 -4.9860 3  125.0698440  59516140427 226 0    27 027 0      C-13-H3C(O)CH3
  226660.4659  0.0158 -6.1698 3  125.0698440  59516140427 126 0    27 027 0      C-13-H3C(O)CH3
  226660.4659  0.0158 -6.1698 3  125.0698440  59516140427 226 0    27 127 0      C-13-H3C(O)CH3
  226697.3597  0.0200 -5.4004 3  753.0085404  595161404504011 4    503912 4      C-13-H3C(O)CH3
  226701.4164  0.1690 -6.3977 3 1417.9751580  595161404724132 4    724033 4      C-13-H3C(O)CH3
  226701.6395  0.1684 -6.3977 3 1417.9750580  595161404724132 3    724033 3      C-13-H3C(O)CH3
  226703.5443  0.1102 -5.6446 3 1138.5416A16  595161404634419 1    634320 1      C-13-H3C(O)CH3
  226708.8608  0.0216 -5.4005 3  753.0270404  595161404504010 3    503911 3      C-13-H3C(O)CH3
  226709.6382  0.0222 -5.1714 3  523.0944648  5951614044038 3 1    4037 4 1      C-13-H3C(O)CH3
  226718.4323  0.0049 -4.4080 3   36.1783200 -59516140412 8 4 2    11 7 5 2      C-13-H3C(O)CH3
  226727.5569  0.0169 -5.0994 3  752.9991808  595161404504011 2    503912 2      C-13-H3C(O)CH3
  226728.3855  0.0422 -5.6466 3  948.6556460  595161404574216 4    574116 4      C-13-H3C(O)CH3
  226737.7376  0.1673 -6.0966 3 1417.9620B60  595161404724132 1    724033 1      C-13-H3C(O)CH3
  226740.4651  0.0250 -5.4723 3  523.1111324  5951614044038 2 3    4037 3 3      C-13-H3C(O)CH3
  226747.0200  0.1692 -6.0966 3 1417.9663B60  595161404724132 2    724033 2      C-13-H3C(O)CH3
  226756.6825  0.0039 -4.4016 3   36.1289200 -59516140412 8 4 0    11 7 5 0      C-13-H3C(O)CH3
  226759.3430  0.1011 -5.6481 3 1138.5410A16  595161404634419 2    634320 2      C-13-H3C(O)CH3
  226759.5474  0.0206 -5.1714 3  523.1330648  5951614044038 2 2    4037 3 2      C-13-H3C(O)CH3
  226768.8193  0.0168 -5.0992 3  752.9833808  595161404504011 1    503912 1      C-13-H3C(O)CH3
  226780.8849  0.0183 -5.0993 3  753.0016808  595161404504010 1    503911 1      C-13-H3C(O)CH3
  226783.2610  0.1679 -6.0964 3 1417.9533B60  595161404724132 0    724033 0      C-13-H3C(O)CH3
  226783.6149  0.0099 -6.1600 3  212.0891228  595161404281513 3    271810 3      C-13-H3C(O)CH3
  226786.9536  0.0083 -4.8554 3  710.4030840  595161404522428 0    522329 0      C-13-H3C(O)CH3
  226787.0142  0.0083 -4.8554 3  710.4030840  595161404522528 0    522429 0      C-13-H3C(O)CH3
  226795.7994  0.0046 -4.4108 3   36.1788200 -59516140412 8 4 1    11 7 5 1      C-13-H3C(O)CH3
  226799.5699  0.0161 -5.0993 3  752.9738808  595161404504010 0    503911 0      C-13-H3C(O)CH3
  226799.5704  0.0161 -5.0993 3  752.9738808  595161404504011 0    503912 0      C-13-H3C(O)CH3
  226816.1503  0.0251 -5.4720 3  523.0900324  5951614044038 3 3    4037 4 3      C-13-H3C(O)CH3
  226823.2814  0.0125 -4.8551 3  710.3948840  595161404522428 2    522329 2      C-13-H3C(O)CH3
  226823.3495  0.0125 -4.8551 3  710.3948840  595161404522528 2    522429 2      C-13-H3C(O)CH3
  226824.8015  0.0093 -4.8551 3  710.3954840  595161404522428 1    522329 1      C-13-H3C(O)CH3
  226824.8697  0.0093 -4.8551 3  710.3954840  595161404522528 1    522429 1      C-13-H3C(O)CH3
  226848.1531  0.1021 -5.9444 3 1138.5883508  595161404634419 4    634320 4      C-13-H3C(O)CH3
  226851.8187  0.0025 -3.9845 3   39.2253200 -5951614041210 2 0    11 9 3 0      C-13-H3C(O)CH3
  226861.1954  0.0129 -5.1559 3  710.3872420  595161404522428 3    522329 3      C-13-H3C(O)CH3
  226861.2720  0.0129 -5.1559 3  710.3872420  595161404522528 3    522429 3      C-13-H3C(O)CH3
  226861.3007  0.0130 -5.1559 3  710.3872420  595161404522428 4    522329 4      C-13-H3C(O)CH3
  226861.3767  0.0130 -5.1559 3  710.3872420  595161404522528 4    522429 4      C-13-H3C(O)CH3
  226878.1934  0.0050 -5.9673 3   12.6691152  595161404 9 2 7 2     8 1 8 2      C-13-H3C(O)CH3
  226879.1652  0.0093 -5.8615 3  212.1021456  595161404281513 1    271810 1      C-13-H3C(O)CH3
  226881.6339  0.0049 -5.9675 3   12.6696152  595161404 9 2 7 1     8 1 8 1      C-13-H3C(O)CH3
  226883.5730  0.0054 -4.7265 3   36.2271100  59516140412 8 4 4    11 7 5 4      C-13-H3C(O)CH3
  226883.6885  0.0050 -5.9673 3   12.6691152  595161404 9 3 7 2     8 0 8 2      C-13-H3C(O)CH3
  226887.0119  0.0049 -5.9675 3   12.6696152  595161404 9 3 7 1     8 0 8 1      C-13-H3C(O)CH3
  226887.8764  0.0372 -5.3451 3  948.6174920  595161404574216 2    574116 2      C-13-H3C(O)CH3
  226892.7357  0.0614 -5.7873 3 1041.2820484  595161404604318 4    604219 4      C-13-H3C(O)CH3
  226892.9695  0.0376 -5.6462 3  948.6547460  595161404574216 3    574117 3      C-13-H3C(O)CH3
  226895.3375  0.0089 -4.8111 3   86.9410296 -5951614041811 7 0    1712 6 0      C-13-H3C(O)CH3
  226913.4482  0.0207 -5.1711 3  523.1536648  5951614044038 2 1    4037 3 1      C-13-H3C(O)CH3
  226922.2491  0.0111 -6.1699 3  212.0847228  595161404281513 4    271810 4      C-13-H3C(O)CH3
  226925.8450  0.0376 -5.3449 3  948.6086920  595161404574216 1    574116 1      C-13-H3C(O)CH3
  226938.8965  0.4630 -6.8135 3 1501.7281B76  595161404734825 1    734727 1      C-13-H3C(O)CH3
  226980.2943  0.3692 -6.4286 3 1582.1458C08  595161404754926 0    754827 0      C-13-H3C(O)CH3
  226982.5172  0.0347 -5.6460 3  948.6550460  595161404574215 3    574116 3      C-13-H3C(O)CH3
  227003.9001  0.5977 -6.9489 3 1501.7126B76  595161404734825 2    734727 2      C-13-H3C(O)CH3
  227020.6884  0.0261 -5.4717 3  523.1491324  5951614044038 2 4    4037 3 4      C-13-H3C(O)CH3
  227066.4918  0.0059 -5.0625 3  121.8549344  5951614042114 8 0    2015 5 0      C-13-H3C(O)CH3
  227069.7629  0.5412 -6.8642 3 1313.6034A96  595161404684623 1    684523 1      C-13-H3C(O)CH3
  227070.7884  0.4281 -6.7365 3 1582.1910604  595161404754926 3    754827 3      C-13-H3C(O)CH3
  227077.5767  0.0675 -5.4857 3 1041.2350968  595161404604318 1    604219 1      C-13-H3C(O)CH3
  227084.7131  0.0391 -5.3444 3  948.5705920  595161404574215 0    574116 0      C-13-H3C(O)CH3
  227085.0529  0.0391 -5.3444 3  948.5705920  595161404574216 0    574117 0      C-13-H3C(O)CH3
  227088.3156  0.0616 -5.4860 3 1041.2413968  595161404604318 2    604219 2      C-13-H3C(O)CH3
  227089.9365  0.0416 -5.3445 3  948.6078920  595161404574215 1    574117 1      C-13-H3C(O)CH3
  227094.9327  0.0122 -5.5406 3  170.2160392  5951614042419 6 0    2320 3 0      C-13-H3C(O)CH3
  227099.5122  0.0122 -5.5406 3  170.2160392  5951614042419 5 0    2320 4 0      C-13-H3C(O)CH3
  227127.8519  0.0544 -5.7866 3 1041.2854484  595161404604317 3    604218 3      C-13-H3C(O)CH3
  227131.1046  0.0038 -4.5022 3  459.8570696 -595161404431627 0    431528 0      C-13-H3C(O)CH3
  227131.1046  0.0038 -4.5022 3  459.8570696 -595161404431727 0    431628 0      C-13-H3C(O)CH3
  227134.8824  0.0052 -5.9658 3   12.5956152  595161404 9 2 7 0     8 1 8 0      C-13-H3C(O)CH3
  227140.4827  0.0052 -5.9658 3   12.5956152  595161404 9 3 7 0     8 0 8 0      C-13-H3C(O)CH3
  227140.4856  0.6460 -6.9842 3 1313.5962A96  595161404684623 2    684523 2      C-13-H3C(O)CH3
  227141.3488  0.0369 -5.3444 3  948.6169920  595161404574215 2    574117 2      C-13-H3C(O)CH3
  227146.1870  0.0379 -5.6454 3  948.6542460  595161404574215 4    574117 4      C-13-H3C(O)CH3
  227151.0921  0.0045 -4.5020 3  459.8280696 -595161404431627 2    431528 2      C-13-H3C(O)CH3
  227151.0921  0.0045 -4.5020 3  459.8280696 -595161404431727 2    431628 2      C-13-H3C(O)CH3
  227155.4882  0.0044 -4.5019 3  459.8293696 -595161404431627 1    431528 1      C-13-H3C(O)CH3
  227155.4882  0.0044 -4.5019 3  459.8293696 -595161404431727 1    431628 1      C-13-H3C(O)CH3
  227172.6877  0.5150 -6.5373 3 1582.1763C08  595161404754926 1    754827 1      C-13-H3C(O)CH3
  227174.2818  0.4324 -6.5157 3 1582.1607C08  595161404754926 2    754827 2      C-13-H3C(O)CH3
  227175.6148  0.0047 -4.8028 3  459.8003348 -595161404431627 3    431528 3      C-13-H3C(O)CH3
  227175.6148  0.0047 -4.8028 3  459.8003348 -595161404431627 4    431528 4      C-13-H3C(O)CH3
  227175.6148  0.0047 -4.8028 3  459.8003348 -595161404431727 4    431628 4      C-13-H3C(O)CH3
  227175.6148  0.0047 -4.8028 3  459.8003348 -595161404431727 3    431628 3      C-13-H3C(O)CH3
  227181.4636  0.0548 -5.7864 3 1041.2834484  595161404604318 3    604219 3      C-13-H3C(O)CH3
  227204.7096  0.2062 -6.2586 3 1313.6263548  595161404684623 4    684524 4      C-13-H3C(O)CH3
  227265.8919  0.0155 -5.6116 3   98.0131156  5951614041912 7 4    1813 5 4      C-13-H3C(O)CH3
  227271.5523  0.0694 -5.4850 3 1041.1944968  595161404604317 0    604218 0      C-13-H3C(O)CH3
  227274.2067  0.0694 -5.4849 3 1041.1943968  595161404604318 0    604219 0      C-13-H3C(O)CH3
  227278.7148  0.8138 -7.1621 3 1501.7472588  595161404734825 4    734727 4      C-13-H3C(O)CH3
  227279.2728  0.0107 -5.5389 3  170.2112392  5951614042419 5 2    2320 3 2      C-13-H3C(O)CH3
  227309.0024  0.8501 -6.9786 3 1876.2309D20  595161404825231 2    825132 2      C-13-H3C(O)CH3
  227310.2691  0.0097 -4.8476 3   86.9514296 -5951614041811 7 2    1712 6 2      C-13-H3C(O)CH3
  227312.4639  0.0710 -5.4850 3 1041.2385968  595161404604317 1    604218 1      C-13-H3C(O)CH3
  227325.8347  0.0126 -6.9362 3  500.2660356  595161404441925 4    432222 4      C-13-H3C(O)CH3
  227325.9339  0.0126 -6.9363 3  500.2660356  595161404441925 3    432222 3      C-13-H3C(O)CH3
  227332.1263  0.2416 -5.9973 3 1313.5946A96  595161404684623 1    684524 1      C-13-H3C(O)CH3
  227339.2548  0.0127 -6.9362 3  500.2655356  595161404442025 4    432122 4      C-13-H3C(O)CH3
  227339.3977  0.0127 -6.9362 3  500.2656356  595161404442025 3    432122 3      C-13-H3C(O)CH3
  227339.7773  0.0116 -6.6361 3  500.2905712  595161404441925 1    432222 1      C-13-H3C(O)CH3
  227350.8198  0.0230 -5.1664 3  900.6155936  595161404582929 0    582830 0      C-13-H3C(O)CH3
  227352.3945  0.0116 -6.6360 3  500.2901712  595161404442025 1    432122 1      C-13-H3C(O)CH3
  227353.6263  0.0230 -5.1664 3  900.6155936  595161404583029 0    582930 0      C-13-H3C(O)CH3
  227354.0229  0.0243 -5.1663 3  900.6223936  595161404582929 1    582830 1      C-13-H3C(O)CH3
  227355.9616  0.0302 -5.1663 3  900.6229936  595161404582929 2    582830 2      C-13-H3C(O)CH3
  227357.1244  0.0243 -5.1663 3  900.6223936  595161404583029 1    582930 1      C-13-H3C(O)CH3
  227359.0012  0.0301 -5.1663 3  900.6230936  595161404583029 2    582930 2      C-13-H3C(O)CH3
  227359.1658  0.0310 -5.4673 3  900.6298468  595161404582929 3    582830 3      C-13-H3C(O)CH3
  227359.2355  0.0311 -5.4673 3  900.6298468  595161404582929 4    582830 4      C-13-H3C(O)CH3
  227362.5240  0.0309 -5.4673 3  900.6298468  595161404583029 3    582930 3      C-13-H3C(O)CH3
  227362.5817  0.0311 -5.4673 3  900.6298468  595161404583029 4    582930 4      C-13-H3C(O)CH3
  227372.2562  0.0125 -6.6340 3  500.2876712  595161404441925 2    432222 2      C-13-H3C(O)CH3
  227376.5603  0.0619 -5.4852 3 1041.2428968  595161404604317 2    604218 2      C-13-H3C(O)CH3
  227385.2447  0.0125 -6.6340 3  500.2871712  595161404442025 2    432122 2      C-13-H3C(O)CH3
  227385.9333  0.0100 -6.6350 3  500.3120712  595161404441925 0    432222 0      C-13-H3C(O)CH3
  227387.1163  0.5461 -6.9745 3 1876.2355D20  595161404825231 0    825132 0      C-13-H3C(O)CH3
  227388.1907  0.3214 -6.5986 3 1313.6369548  595161404684623 3    684523 3      C-13-H3C(O)CH3
  227398.1097  0.0100 -6.6349 3  500.3116712  595161404442025 0    432122 0      C-13-H3C(O)CH3
  227415.6745  0.0610 -5.7858 3 1041.2870484  595161404604317 4    604218 4      C-13-H3C(O)CH3
  227432.8759  0.2063 -5.9830 3 1313.5864A96  595161404684623 2    684524 2      C-13-H3C(O)CH3
  227434.6099  0.1963 -5.9416 3 1313.5595A96  595161404684622 0    684523 0      C-13-H3C(O)CH3
  227442.1317  0.0116 -5.4840 3  121.8512172  5951614042114 8 3    2015 5 3      C-13-H3C(O)CH3
  227454.0616  0.5582 -6.8533 3 1582.1914604  595161404754926 4    754827 4      C-13-H3C(O)CH3
  227457.5838  0.0116 -5.5394 3  170.1455392  5951614042419 6 1    2320 4 1      C-13-H3C(O)CH3
  227459.2337  0.5213 -6.4953 3 1313.6369548  595161404684622 3    684523 3      C-13-H3C(O)CH3
  227462.2466  0.0115 -5.5385 3  170.1966392  5951614042419 5 1    2320 3 1      C-13-H3C(O)CH3
  227498.7490  0.0248 -5.3022 3  504.3456632  5951614043938 2 2    3937 3 2      C-13-H3C(O)CH3
  227512.0030  0.0198 -5.3359 3  631.7438364  5951614044539 7 4    4538 8 4      C-13-H3C(O)CH3
  227515.1432  0.0147 -5.0351 3  631.7606728  5951614044539 7 2    4538 8 2      C-13-H3C(O)CH3
  227516.7959  0.0116 -5.5384 3  170.1586392  5951614042419 6 2    2320 4 2      C-13-H3C(O)CH3
  227531.8837  0.5847 -6.9744 3 1876.2503D20  595161404825231 1    825132 1      C-13-H3C(O)CH3
  227545.0916  0.0092 -5.1064 3   86.9760148  5951614041811 7 3    1712 6 3      C-13-H3C(O)CH3
  227568.6805  0.4642 -6.4948 3 1313.6308548  595161404684623 3    684524 3      C-13-H3C(O)CH3
  227581.7201  0.0316 -5.6028 3  504.2981316  5951614043938 2 4    3937 3 4      C-13-H3C(O)CH3
  227591.9325  0.1945 -5.9410 3 1313.5535A96  595161404684623 0    684524 0      C-13-H3C(O)CH3
  227606.8348  0.0188 -5.3358 3  631.7626364  5951614044539 7 3    4538 8 3      C-13-H3C(O)CH3
  227611.2951  0.0143 -5.0349 3  631.7794728  5951614044539 6 2    4538 7 2      C-13-H3C(O)CH3
  227626.0823  0.0111 -5.5373 3   97.9730312  5951614041912 7 2    1813 5 2      C-13-H3C(O)CH3
  227635.9990  0.0177 -5.3358 3  631.7813364  5951614044539 6 3    4538 7 3      C-13-H3C(O)CH3
  227637.9184  0.0122 -5.8389 3  170.1406196  5951614042419 6 3    2320 3 3      C-13-H3C(O)CH3
  227638.2647  0.0085 -6.6395 3   20.0133 76  595161404 9 8 2 4     8 5 3 4      C-13-H3C(O)CH3
  227639.7235  0.3597 -6.5978 3 1313.6308548  595161404684622 3    684524 3      C-13-H3C(O)CH3
  227642.0627  0.1998 -5.9965 3 1313.6034A96  595161404684622 1    684523 1      C-13-H3C(O)CH3
  227644.9009  0.0148 -5.8379 3  170.1918196  5951614042419 5 4    2320 3 4      C-13-H3C(O)CH3
  227647.2776  0.1924 -5.9824 3 1313.5962A96  595161404684622 2    684523 2      C-13-H3C(O)CH3
  227658.1871  0.0160 -5.0347 3  631.7485728  5951614044539 7 1    4538 8 1      C-13-H3C(O)CH3
  227662.0015  0.0139 -5.0349 3  631.7653728  5951614044539 7 0    4538 8 0      C-13-H3C(O)CH3
  227662.0015  0.0139 -5.0349 3  631.7653728  5951614044539 6 0    4538 7 0      C-13-H3C(O)CH3
  227663.6079  0.0220 -5.3021 3  504.3972632  5951614043938 1 0    3937 3 0      C-13-H3C(O)CH3
  227663.6079  0.0220 -5.3021 3  504.3972632  5951614043938 2 0    3937 2 0      C-13-H3C(O)CH3
  227705.9650  0.0099 -4.8567 3   86.9468296 -5951614041811 7 1    1712 6 1      C-13-H3C(O)CH3
  227731.8168  0.0175 -5.3356 3  631.7999364  5951614044539 6 4    4538 7 4      C-13-H3C(O)CH3
  227746.2552  0.0262 -5.3016 3  504.3497632  5951614043938 2 1    3937 3 1      C-13-H3C(O)CH3
  227783.5316  0.0142 -5.0346 3  631.7859728  5951614044539 6 1    4538 7 1      C-13-H3C(O)CH3
  227792.5987  0.0302 -5.6025 3  504.3629316  5951614043938 1 3    3937 2 3      C-13-H3C(O)CH3
  227804.7803  0.0113 -5.4706 3   97.9749312  5951614041912 7 1    1813 5 1      C-13-H3C(O)CH3
  227812.6606  0.0614 -5.7668 3 1073.4035508  595161404633330 3    633231 3      C-13-H3C(O)CH3
  227812.6876  0.0615 -5.7668 3 1073.4035508  595161404633330 4    633231 4      C-13-H3C(O)CH3
  227821.1588  0.0254 -5.3016 3  504.3902632  5951614043938 1 2    3937 2 2      C-13-H3C(O)CH3
  227822.6580  0.2155 -6.2569 3 1313.6416548  595161404684622 4    684523 4      C-13-H3C(O)CH3
  227826.1577  0.0111 -5.9695 3  121.8383172  5951614042114 8 3    2015 6 3      C-13-H3C(O)CH3
  227836.8173  0.0520 -5.4657 3 1073.3886A16  595161404633330 1    633231 1      C-13-H3C(O)CH3
  227843.8252  0.0606 -5.4657 3 1073.3905A16  595161404633330 2    633231 2      C-13-H3C(O)CH3
  227850.7887  0.0603 -5.7667 3 1073.4037508  595161404633430 4    633331 4      C-13-H3C(O)CH3
  227850.8275  0.0601 -5.7667 3 1073.4036508  595161404633430 3    633331 3      C-13-H3C(O)CH3
  227867.8569  0.0512 -5.4657 3 1073.3757A16  595161404633330 0    633231 0      C-13-H3C(O)CH3
  227871.8130  0.0127 -5.8384 3  170.0881196  5951614042419 6 4    2320 4 4      C-13-H3C(O)CH3
  227873.0063  0.0521 -5.4656 3 1073.3888A16  595161404633430 1    633331 1      C-13-H3C(O)CH3
  227878.9691  0.0593 -5.4656 3 1073.3907A16  595161404633430 2    633331 2      C-13-H3C(O)CH3
  227880.0705  0.0117 -5.8375 3  170.1392196  5951614042419 5 3    2320 4 3      C-13-H3C(O)CH3
  227901.1672  0.0513 -5.4655 3 1073.3758A16  595161404633430 0    633331 0      C-13-H3C(O)CH3
  227903.1517  0.0305 -5.6021 3  504.3427316  5951614043938 2 3    3937 3 3      C-13-H3C(O)CH3
  227904.4261  0.4691 -6.8615 3 1313.5946A96  595161404684622 1    684524 1      C-13-H3C(O)CH3
  227939.6679  0.5287 -6.9815 3 1313.5864A96  595161404684622 2    684524 2      C-13-H3C(O)CH3
  227958.8172  0.0251 -5.3013 3  504.4146632  5951614043938 1 1    3937 2 1      C-13-H3C(O)CH3
  227971.9399  0.0035 -4.4718 3  434.0489680 -595161404421627 0    421528 0      C-13-H3C(O)CH3
  227971.9399  0.0035 -4.4718 3  434.0489680 -595161404421527 0    421428 0      C-13-H3C(O)CH3
  227981.1724  0.0043 -4.4714 3  434.0195680 -595161404421527 2    421428 2      C-13-H3C(O)CH3
  227981.1724  0.0043 -4.4714 3  434.0195680 -595161404421627 2    421528 2      C-13-H3C(O)CH3
  227985.6911  0.0043 -4.4714 3  434.0207680 -595161404421527 1    421428 1      C-13-H3C(O)CH3
  227985.6911  0.0043 -4.4714 3  434.0207680 -595161404421627 1    421528 1      C-13-H3C(O)CH3
  227994.9450  0.0045 -4.7723 3  433.9913340 -595161404421627 3    421528 3      C-13-H3C(O)CH3
  227994.9450  0.0045 -4.7723 3  433.9913340 -595161404421527 3    421428 3      C-13-H3C(O)CH3
  227994.9450  0.0045 -4.7723 3  433.9912340 -595161404421527 4    421428 4      C-13-H3C(O)CH3
  227994.9450  0.0045 -4.7723 3  433.9912340 -595161404421627 4    421528 4      C-13-H3C(O)CH3
  228052.4773  0.0081 -6.0223 3  118.8632344  5951614042112 9 2    21 912 2      C-13-H3C(O)CH3
  228093.7489  0.0087 -5.3373 3  121.8233344  5951614042114 8 2    2015 6 2      C-13-H3C(O)CH3
  228113.3092  0.0078 -6.0197 3  118.8501344  5951614042112 9 0    21 912 0      C-13-H3C(O)CH3
  228116.8399  0.0324 -5.6018 3  504.4075316  5951614043938 1 4    3937 2 4      C-13-H3C(O)CH3
  228184.2704  0.0015 -4.3294 3   70.5226140 -59516140417 710 3    16 8 9 3      C-13-H3C(O)CH3
  228185.4876  0.0016 -4.3294 3   70.5226140 -59516140417 710 4    16 8 9 4      C-13-H3C(O)CH3
  228217.4243  0.0086 -6.3277 3  118.8788172  5951614042112 9 3    21 912 3      C-13-H3C(O)CH3
  228223.0193  0.0072 -4.8036 3  679.4014824  595161404512328 0    512229 0      C-13-H3C(O)CH3
  228223.0389  0.0072 -4.8036 3  679.4014824  595161404512428 0    512329 0      C-13-H3C(O)CH3
  228230.0007  0.4460 -6.5789 3 1664.6630C40  595161404775027 0    774928 0      C-13-H3C(O)CH3
  228241.2598  0.0076 -7.1922 3   15.7484 68  595161404 8 8 1 4     7 5 3 4      C-13-H3C(O)CH3
  228243.6342  0.7846 -6.8499 3 1582.1278604  595161404754927 4    754828 4      C-13-H3C(O)CH3
  228245.3632  0.0119 -6.3277 3  118.8788172  5951614042112 9 4    21 912 4      C-13-H3C(O)CH3
  228249.2660  0.0093 -6.1981 3  135.0292180  5951614042215 8 4    221211 4      C-13-H3C(O)CH3
  228263.5576  0.0107 -4.8033 3  679.3900824  595161404512328 2    512229 2      C-13-H3C(O)CH3
  228263.5798  0.0107 -4.8033 3  679.3900824  595161404512428 2    512329 2      C-13-H3C(O)CH3
  228265.4091  0.0080 -4.8033 3  679.3907824  595161404512328 1    512229 1      C-13-H3C(O)CH3
  228265.4313  0.0080 -4.8033 3  679.3907824  595161404512428 1    512329 1      C-13-H3C(O)CH3
  228274.3274  0.0016 -4.0283 3   70.4888280 -59516140417 710 1    16 8 9 1      C-13-H3C(O)CH3
  228275.8018  0.0016 -4.0286 3   70.4869280 -59516140417 710 2    16 8 9 2      C-13-H3C(O)CH3
  228289.4567  0.0081 -6.0241 3  118.8656344  5951614042112 9 1    21 912 1      C-13-H3C(O)CH3
  228306.0199  0.0110 -5.1041 3  679.3794412  595161404512328 3    512229 3      C-13-H3C(O)CH3
  228306.0451  0.0110 -5.1041 3  679.3794412  595161404512428 3    512329 3      C-13-H3C(O)CH3
  228306.1234  0.0111 -5.1041 3  679.3793412  595161404512328 4    512229 4      C-13-H3C(O)CH3
  228306.1484  0.0111 -5.1041 3  679.3793412  595161404512428 4    512329 4      C-13-H3C(O)CH3
  228322.0613  0.5326 -6.8877 3 1664.6984620  595161404775027 3    774928 3      C-13-H3C(O)CH3
  228330.6308  0.4114 -6.9955 3 1895.2505D36  595161404834935 2    834836 2      C-13-H3C(O)CH3
  228345.1779  0.5180 -6.9955 3 1895.2524D36  595161404834935 0    834836 0      C-13-H3C(O)CH3
  228364.9675  0.0016 -4.0286 3   70.4532280 -59516140417 710 0    16 8 9 0      C-13-H3C(O)CH3
  228384.2616  0.5077 -6.6456 3 1664.6720C40  595161404775027 2    774928 2      C-13-H3C(O)CH3
  228397.0384  0.5586 -6.6437 3 1664.6894C40  595161404775027 1    774928 1      C-13-H3C(O)CH3
  228401.7388  0.0085 -5.3087 3  121.8119344  5951614042114 8 1    2015 6 1      C-13-H3C(O)CH3
  228406.8364  0.4952 -6.9953 3 1895.2467D36  595161404834935 1    834836 1      C-13-H3C(O)CH3
  228406.9093  0.0300 -5.4930 3  834.8572428  595161404534112 4    534013 4      C-13-H3C(O)CH3
  228408.6729  0.6322 -6.5110 3 1582.0968C08  595161404754927 2    754828 2      C-13-H3C(O)CH3
  228427.0613  0.0115 -5.9856 3   39.2385200  5951614041210 2 2    11 9 3 2      C-13-H3C(O)CH3
  228431.8534  0.0293 -5.5585 3  486.0953616  5951614043838 1 2    3837 2 2      C-13-H3C(O)CH3
  228462.4652  0.0257 -5.4927 3  834.8482428  595161404534113 3    534014 3      C-13-H3C(O)CH3
  228474.1140  0.5957 -6.5322 3 1582.1146C08  595161404754927 1    754828 1      C-13-H3C(O)CH3
  228491.4210  0.0221 -5.1917 3  834.8252856  595161404534113 2    534013 2      C-13-H3C(O)CH3
  228494.1464  0.0140 -5.2150 3   86.9456148  5951614041811 7 4    1712 6 4      C-13-H3C(O)CH3
  228501.7243  0.3200 -6.6222 3 1540.1370604  595161404754233 3    754134 3      C-13-H3C(O)CH3
  228501.7391  0.3192 -6.6222 3 1540.1370604  595161404754233 4    754134 4      C-13-H3C(O)CH3
  228502.8720  0.0015 -4.3279 3   70.5140140 -59516140417 810 4    16 7 9 4      C-13-H3C(O)CH3
  228504.7397  0.0015 -4.3279 3   70.5139140 -59516140417 810 3    16 7 9 3      C-13-H3C(O)CH3
  228524.2246  0.0104 -6.8975 3   97.9692156  5951614041912 7 3    1813 5 3      C-13-H3C(O)CH3
  228541.7477  0.0366 -5.8590 3  486.0437308  5951614043838 1 4    3837 2 4      C-13-H3C(O)CH3
  228545.1389  0.0114 -6.1917 3  222.2665236  595161404291515 4    281612 4      C-13-H3C(O)CH3
  228545.5225  0.2649 -6.3210 3 1540.1274C08  595161404754233 1    754134 1      C-13-H3C(O)CH3
  228552.4348  0.3357 -6.4227 3 1582.0834C08  595161404754927 0    754828 0      C-13-H3C(O)CH3
  228559.3912  0.0113 -6.1918 3  222.2660236  595161404291515 3    281612 3      C-13-H3C(O)CH3
  228568.5638  0.0255 -5.4925 3  834.8548428  595161404534112 3    534013 3      C-13-H3C(O)CH3
  228584.9440  0.0258 -5.5585 3  486.1562616  5951614043838 0 0    3837 2 0      C-13-H3C(O)CH3
  228584.9440  0.0258 -5.5585 3  486.1562616  5951614043838 1 0    3837 1 0      C-13-H3C(O)CH3
  228587.5125  0.0093 -5.8905 3  222.2825472  595161404291515 1    281612 1      C-13-H3C(O)CH3
  228596.8692  0.0210 -5.1914 3  834.8174856  595161404534112 1    534013 1      C-13-H3C(O)CH3
  228597.8224  0.0016 -4.0268 3   70.4801280 -59516140417 810 1    16 7 9 1      C-13-H3C(O)CH3
  228601.4758  0.0107 -6.0642 3   39.2317200  5951614041210 2 1    11 9 3 1      C-13-H3C(O)CH3
  228607.3821  0.0016 -4.0271 3   70.4779280 -59516140417 810 2    16 7 9 2      C-13-H3C(O)CH3
  228609.9617  0.0210 -5.3840 3  729.2428396  595161404494010 3    493911 3      C-13-H3C(O)CH3
  228615.3226  0.3295 -6.3208 3 1540.1327C08  595161404754233 2    754134 2      C-13-H3C(O)CH3
  228623.5022  0.0233 -5.4923 3  834.8457428  595161404534113 4    534014 4      C-13-H3C(O)CH3
  228626.9574  0.4244 -6.7307 3 1582.1280604  595161404754927 3    754828 3      C-13-H3C(O)CH3
  228638.7328  0.0171 -5.0830 3  729.2386792  5951614044940 9 2    493910 2      C-13-H3C(O)CH3
  228650.2601  0.0202 -5.3838 3  729.2342396  595161404494010 4    493911 4      C-13-H3C(O)CH3
  228651.6606  0.0195 -5.1912 3  834.8084856  595161404534113 1    534014 1      C-13-H3C(O)CH3
  228652.1164  0.0204 -5.1912 3  834.8227856  595161404534112 2    534014 2      C-13-H3C(O)CH3
  228652.2778  0.0223 -5.3840 3  729.2646396  5951614044940 9 4    493910 4      C-13-H3C(O)CH3
  228654.5510  0.6692 -6.9889 3 1664.6984620  595161404775027 4    774928 4      C-13-H3C(O)CH3
  228658.8305  0.2682 -6.3206 3 1540.1232C08  595161404754233 0    754134 0      C-13-H3C(O)CH3
  228678.1017  0.0165 -5.0829 3  729.2300792  595161404494010 2    493911 2      C-13-H3C(O)CH3
  228680.5343  0.0187 -5.1911 3  834.7853856  595161404534112 0    534013 0      C-13-H3C(O)CH3
  228680.5411  0.0187 -5.1911 3  834.7853856  595161404534113 0    534014 0      C-13-H3C(O)CH3
  228692.5338  0.0208 -5.3839 3  729.2562396  5951614044940 9 3    493910 3      C-13-H3C(O)CH3
  228694.6177  0.0307 -5.5580 3  486.1044616  5951614043838 1 1    3837 2 1      C-13-H3C(O)CH3
  228701.1485  0.0015 -4.0270 3   70.4441280 -59516140417 810 0    16 7 9 0      C-13-H3C(O)CH3
  228732.0647  0.0051 -6.1544 3  135.0292180  5951614042215 8 3    221211 3      C-13-H3C(O)CH3
  228739.1245  0.0067 -6.6980 3   75.2648140  5951614041710 8 4    17 711 4      C-13-H3C(O)CH3
  228747.9176  0.0172 -5.0826 3  729.2145792  595161404494010 1    493911 1      C-13-H3C(O)CH3
  228750.5664  0.0041 -4.4440 3  408.7916664  595161404411427 2    411328 2      C-13-H3C(O)CH3
  228750.5665  0.0041 -4.4442 3  408.7916664  595161404411527 2    411428 2      C-13-H3C(O)CH3
  228751.0199  0.0043 -4.7452 3  408.7635332  595161404411527 4    411428 4      C-13-H3C(O)CH3
  228751.0199  0.0043 -4.7451 3  408.7635332  595161404411427 4    411328 4      C-13-H3C(O)CH3
  228751.1353  0.0042 -4.7454 3  408.7636332  595161404411527 3    411428 3      C-13-H3C(O)CH3
  228751.1353  0.0042 -4.7451 3  408.7636332  595161404411427 3    411328 3      C-13-H3C(O)CH3
  228754.6580  0.0034 -4.4441 3  408.8208664  595161404411427 0    411328 0      C-13-H3C(O)CH3
  228754.6580  0.0034 -4.4456 3  408.8208664  595161404411527 0    411428 0      C-13-H3C(O)CH3
  228754.6580  0.0034 -6.9089 3  408.8208664  595161404411427 0    411428 0      C-13-H3C(O)CH3
  228755.2176  0.0042 -4.4444 3  408.7928664  595161404411527 1    411428 1      C-13-H3C(O)CH3
  228755.2176  0.0042 -4.4444 3  408.7928664  595161404411427 1    411328 1      C-13-H3C(O)CH3
  228757.3049  0.0050 -6.6979 3   75.2648140  5951614041710 8 3    17 711 3      C-13-H3C(O)CH3
  228758.3113  0.0366 -5.8587 3  486.1144308  5951614043838 0 3    3837 1 3      C-13-H3C(O)CH3
  228769.7314  0.0065 -5.8683 3  135.0232360  5951614042215 8 1    221211 1      C-13-H3C(O)CH3
  228776.1805  0.0227 -6.7488 3  140.7562180  5951614042217 6 4    2214 8 4      C-13-H3C(O)CH3
  228776.3359  0.0159 -5.0827 3  729.2103792  5951614044940 9 0    493910 0      C-13-H3C(O)CH3
  228776.3359  0.0159 -5.0827 3  729.2103792  595161404494010 0    493911 0      C-13-H3C(O)CH3
  228790.9783  0.0177 -5.0827 3  729.2364792  5951614044940 9 1    493910 1      C-13-H3C(O)CH3
  228795.1087  0.0314 -5.5578 3  486.1473616  5951614043838 0 2    3837 1 2      C-13-H3C(O)CH3
  228822.9183  0.0228 -7.1777 3  741.9653872  595161404542232 1    532529 1      C-13-H3C(O)CH3
  228822.9358  0.0228 -7.1777 3  741.9653872  595161404542332 1    532429 1      C-13-H3C(O)CH3
  228827.3589  0.0260 -7.1765 3  741.9649872  595161404542232 2    532529 2      C-13-H3C(O)CH3
  228827.3761  0.0260 -7.1765 3  741.9649872  595161404542332 2    532429 2      C-13-H3C(O)CH3
  228861.9666  0.0181 -7.1779 3  741.9700872  595161404542232 0    532529 0      C-13-H3C(O)CH3
  228861.9818  0.0181 -7.1779 3  741.9700872  595161404542332 0    532429 0      C-13-H3C(O)CH3
  228870.5889  0.0089 -5.8856 3  222.2689472  595161404291515 2    281612 2      C-13-H3C(O)CH3
  228901.6091  0.0077 -5.8854 3  222.2852472  595161404291515 0    281612 0      C-13-H3C(O)CH3
  228904.3263  0.0373 -5.8583 3  486.0955308  5951614043838 1 3    3837 2 3      C-13-H3C(O)CH3
  228906.4320  0.0043 -4.5644 3   50.3998116 -59516140414 9 6 4    13 8 5 4      C-13-H3C(O)CH3
  228912.7785  0.0301 -5.5577 3  486.1752616  5951614043838 0 1    3837 1 1      C-13-H3C(O)CH3
  228931.0605  0.0151 -5.0506 3  610.5244712  5951614044439 6 2    4438 7 2      C-13-H3C(O)CH3
  228932.4724  0.0016 -4.2244 3   75.2648148 -59516140418 612 4    17 711 4      C-13-H3C(O)CH3
  228932.4724  0.0016 -4.2244 3   75.2648148 -59516140418 612 3    17 711 3      C-13-H3C(O)CH3
  228936.5484  0.0016 -4.2244 3   75.2647148 -59516140418 712 4    17 611 4      C-13-H3C(O)CH3
  228936.5484  0.0016 -4.2244 3   75.2647148 -59516140418 712 3    17 611 3      C-13-H3C(O)CH3
  228945.0819  0.0207 -5.3513 3  610.5022356  5951614044439 6 4    4438 7 4      C-13-H3C(O)CH3
  228957.3995  0.0051 -6.3922 3   75.2294280  5951614041710 8 2    17 711 2      C-13-H3C(O)CH3
  228991.1906  0.0050 -6.3935 3   75.2307280  5951614041710 8 1    17 711 1      C-13-H3C(O)CH3
  228997.0863  0.0058 -5.8615 3  135.0195360  5951614042215 8 2    221211 2      C-13-H3C(O)CH3
  228999.3193  0.0091 -4.9089 3   97.9081312  5951614041912 7 0    1813 6 0      C-13-H3C(O)CH3
  229009.7351  0.0017 -3.9232 3   75.2307296 -59516140418 612 1    17 711 1      C-13-H3C(O)CH3
  229011.9289  0.0017 -3.9234 3   75.2294296 -59516140418 612 2    17 711 2      C-13-H3C(O)CH3
  229013.9314  0.0017 -3.9232 3   75.2306296 -59516140418 712 1    17 611 1      C-13-H3C(O)CH3
  229016.2027  0.0017 -3.9234 3   75.2293296 -59516140418 712 2    17 611 2      C-13-H3C(O)CH3
  229022.2366  0.5047 -7.0743 3 1582.1146C08  595161404754926 1    754828 1      C-13-H3C(O)CH3
  229030.0123  0.0059 -6.8830 3   65.0460132  59516140416 8 8 3    16 511 3      C-13-H3C(O)CH3
  229043.1442  0.0084 -6.8829 3   65.0460132  59516140416 8 8 4    16 511 4      C-13-H3C(O)CH3
  229065.7542  0.0250 -7.1456 3  264.5328252  595161404311813 4    3021 9 4      C-13-H3C(O)CH3
  229068.6837  0.0098 -6.3188 3   19.9493152  595161404 9 8 2 1     8 5 3 1      C-13-H3C(O)CH3
  229073.6012  0.0039 -4.5568 3   50.3978116 -59516140414 9 6 3    13 8 5 3      C-13-H3C(O)CH3
  229075.8702  0.0145 -5.0503 3  610.5472712  5951614044439 5 2    4438 6 2      C-13-H3C(O)CH3
  229083.6190  0.0166 -5.4018 3  307.4492536  595161404332211 1    331914 1      C-13-H3C(O)CH3
  229087.3982  0.0140 -5.0504 3  610.5372712  5951614044439 5 0    4438 6 0      C-13-H3C(O)CH3
  229087.3982  0.0140 -5.0504 3  610.5372712  5951614044439 6 0    4438 7 0      C-13-H3C(O)CH3
  229088.5228  0.0179 -5.3512 3  610.5448356  5951614044439 5 3    4438 6 3      C-13-H3C(O)CH3
  229088.5595  0.0189 -5.3511 3  610.5250356  5951614044439 6 3    4438 7 3      C-13-H3C(O)CH3
  229089.0138  0.0016 -3.9233 3   75.1954296 -59516140418 612 0    17 711 0      C-13-H3C(O)CH3
  229091.4694  0.6650 -7.1588 3 1582.0968C08  595161404754926 2    754828 2      C-13-H3C(O)CH3
  229093.3989  0.0016 -3.9232 3   75.1953296 -59516140418 712 0    17 611 0      C-13-H3C(O)CH3
  229100.8599  0.0162 -5.0501 3  610.5150712  5951614044439 6 1    4438 7 1      C-13-H3C(O)CH3
  229100.9291  0.0041 -6.8276 3   23.5663 84  59516140410 7 3 4     9 4 5 4      C-13-H3C(O)CH3
  229104.8310  0.0051 -7.1239 3   23.5040168  59516140410 7 3 2     9 4 5 2      C-13-H3C(O)CH3
  229111.0654  0.0044 -7.0249 3   23.5057168  59516140410 7 3 1     9 4 5 1      C-13-H3C(O)CH3
  229120.0518  0.9452 -7.1423 3 1966.0100D52  595161404845332 2    845233 2      C-13-H3C(O)CH3
  229124.0073  0.0399 -5.8580 3  486.1662308  5951614043838 0 4    3837 1 4      C-13-H3C(O)CH3
  229161.3367  0.5442 -6.7354 3 1749.2873C72  595161404795128 0    795029 0      C-13-H3C(O)CH3
  229189.6209  0.0063 -6.5770 3   65.0045264  59516140416 8 8 2    16 511 2      C-13-H3C(O)CH3
  229192.2614  0.1261 -6.0588 3 1208.5139524  595161404654521 4    654422 4      C-13-H3C(O)CH3
  229195.5637  0.0111 -5.5348 3  121.7837172  5951614042114 8 4    2015 6 4      C-13-H3C(O)CH3
  229200.1046  0.0049 -6.3887 3   75.1954280  5951614041710 8 0    17 711 0      C-13-H3C(O)CH3
  229202.4480  0.0076 -6.4108 3  304.6071276  595161404341618 3    331915 3      C-13-H3C(O)CH3
  229203.0233  0.0078 -6.4108 3  304.6071276  595161404341618 4    331915 4      C-13-H3C(O)CH3
  229215.7143  0.6366 -7.1401 3 1966.0186D52  595161404845332 0    845233 0      C-13-H3C(O)CH3
  229231.7858  0.0076 -6.1098 3  304.6328552  595161404341618 1    331915 1      C-13-H3C(O)CH3
  229233.3851  0.0177 -5.3509 3  610.5675356  5951614044439 5 4    4438 6 4      C-13-H3C(O)CH3
  229245.7520  0.0142 -5.0500 3  610.5576712  5951614044439 5 1    4438 6 1      C-13-H3C(O)CH3
  229252.2860  0.6604 -7.0436 3 1749.3130636  595161404795128 3    795029 3      C-13-H3C(O)CH3
  229263.5463  0.5926 -6.7802 3 1749.2907C72  595161404795128 2    795029 2      C-13-H3C(O)CH3
  229272.7086  0.0042 -4.2567 3   50.3532232 -59516140414 9 6 1    13 8 5 1      C-13-H3C(O)CH3
  229273.7654  0.0062 -6.5783 3   65.0056264  59516140416 8 8 1    16 511 1      C-13-H3C(O)CH3
  229295.2847  0.0077 -6.1069 3  304.6269552  595161404341618 2    331915 2      C-13-H3C(O)CH3
  229296.5109  0.0053 -5.8483 3  135.0136360  5951614042215 8 0    221211 0      C-13-H3C(O)CH3
  229307.8626  0.5968 -6.7653 3 1749.3094C72  595161404795128 1    795029 1      C-13-H3C(O)CH3
  229314.6890  0.0189 -6.9425 3  264.5493504  595161404311813 1    3021 9 1      C-13-H3C(O)CH3
  229321.4570  0.0150 -5.4016 3  307.4635536  595161404332211 0    331914 0      C-13-H3C(O)CH3
  229324.2964  0.0068 -6.1070 3  304.6524552  595161404341618 0    331915 0      C-13-H3C(O)CH3
  229326.8516  0.0194 -6.3076 3  264.5331504  595161404311813 2    302110 2      C-13-H3C(O)CH3
  229328.3534  0.0188 -5.1030 3  866.1935920  595161404572829 0    572730 0      C-13-H3C(O)CH3
  229329.3921  0.0188 -5.1030 3  866.1935920  595161404572929 0    572830 0      C-13-H3C(O)CH3
  229332.5001  0.0116 -6.3181 3   19.9470152  595161404 9 8 2 2     8 5 3 2      C-13-H3C(O)CH3
  229333.8278  0.0191 -5.7030 3  307.4199268  595161404332211 4    331914 4      C-13-H3C(O)CH3
  229340.1594  0.0202 -5.1028 3  866.1983920  595161404572829 1    572730 1      C-13-H3C(O)CH3
  229341.3165  0.0202 -5.1028 3  866.1983920  595161404572929 1    572830 1      C-13-H3C(O)CH3
  229341.5026  0.0256 -5.1028 3  866.1987920  595161404572829 2    572730 2      C-13-H3C(O)CH3
  229342.6374  0.0255 -5.1028 3  866.1987920  595161404572929 2    572830 2      C-13-H3C(O)CH3
  229344.8978  0.1483 -5.7582 3 1208.4753A48  595161404654521 1    654422 1      C-13-H3C(O)CH3
  229353.3320  0.0264 -5.4037 3  866.2034460  595161404572829 3    572730 3      C-13-H3C(O)CH3
  229353.4136  0.0265 -5.4037 3  866.2034460  595161404572829 4    572730 4      C-13-H3C(O)CH3
  229354.5960  0.0263 -5.4037 3  866.2034460  595161404572929 3    572830 3      C-13-H3C(O)CH3
  229354.6721  0.0264 -5.4037 3  866.2034460  595161404572929 4    572830 4      C-13-H3C(O)CH3
  229356.0881  0.0162 -7.0998 3   86.9456140  5951614041715 3 4    1712 6 4      C-13-H3C(O)CH3
  229367.6224  0.6654 -7.1397 3 1966.0297D52  595161404845332 1    845233 1      C-13-H3C(O)CH3
  229374.9060  0.0215 -5.7074 3  307.4196268  595161404332211 3    331914 3      C-13-H3C(O)CH3
  229385.7579  0.3050 -6.6448 3 1713.3413C72  595161404794634 2    794535 2      C-13-H3C(O)CH3
  229387.7046  0.2935 -6.9458 3 1713.3404636  595161404794634 3    794535 3      C-13-H3C(O)CH3
  229387.8089  0.2950 -6.9458 3 1713.3404636  595161404794634 4    794535 4      C-13-H3C(O)CH3
  229401.8489  0.3429 -6.6447 3 1713.3375C72  595161404794634 0    794535 0      C-13-H3C(O)CH3
  229403.3894  0.0045 -4.2553 3   50.3481232 -59516140414 9 6 2    13 8 5 2      C-13-H3C(O)CH3
  229404.2238  0.3381 -6.6447 3 1713.3365C72  595161404794634 1    794535 1      C-13-H3C(O)CH3
  229422.7926  0.1288 -5.7589 3 1208.4738A48  595161404654521 2    654422 2      C-13-H3C(O)CH3
  229426.8865  0.0060 -6.5733 3   64.9642264  59516140416 8 8 0    16 511 0      C-13-H3C(O)CH3
  229435.7224  0.0150 -6.4394 3  137.6977180  5951614042216 7 4    221310 4      C-13-H3C(O)CH3
  229438.1724  0.6377 -6.8934 3 1388.7697B28  595161404704724 1    704624 1      C-13-H3C(O)CH3
  229448.1287  0.0041 -6.3420 3  384.1188324  595161404401427 4    401228 4      C-13-H3C(O)CH3
  229448.1287  0.0041 -6.7392 3  384.1188324  595161404401327 4    401328 4      C-13-H3C(O)CH3
  229448.1863  0.0041 -4.7254 3  384.1188324 -595161404401427 4    401328 4      C-13-H3C(O)CH3
  229448.1863  0.0040 -4.7212 3  384.1189324 -595161404401327 3    401228 3      C-13-H3C(O)CH3
  229448.1863  0.0041 -4.7317 3  384.1188324 -595161404401327 4    401228 4      C-13-H3C(O)CH3
  229448.1863  0.0040 -4.7212 3  384.1189324 -595161404401427 3    401328 3      C-13-H3C(O)CH3
  229452.9388  0.0160 -6.2804 3  264.5541504  595161404311813 0    302110 0      C-13-H3C(O)CH3
  229463.5944  0.0040 -6.9917 3  384.1459648  595161404401327 2    401328 2      C-13-H3C(O)CH3
  229463.5944  0.0040 -6.0937 3  384.1459648  595161404401427 2    401228 2      C-13-H3C(O)CH3
  229463.5944  0.0040 -4.4293 3  384.1459648  595161404401327 2    401228 2      C-13-H3C(O)CH3
  229463.5944  0.0040 -4.4213 3  384.1459648  595161404401427 2    401328 2      C-13-H3C(O)CH3
  229468.2514  0.0041 -4.4474 3  384.1471648  595161404401327 1    401328 1      C-13-H3C(O)CH3
  229468.2514  0.0041 -5.6356 3  384.1471648  595161404401327 1    401228 1      C-13-H3C(O)CH3
  229468.2514  0.0041 -5.6363 3  384.1471648  595161404401427 1    401328 1      C-13-H3C(O)CH3
  229468.2514  0.0041 -4.4474 3  384.1471648  595161404401427 1    401228 1      C-13-H3C(O)CH3
  229473.6039  0.7949 -7.0941 3 1388.7602B28  595161404704724 2    704624 2      C-13-H3C(O)CH3
  229478.7917  0.1026 -6.0259 3 1220.1247540  595161404673631 3    673532 3      C-13-H3C(O)CH3
  229478.8037  0.1026 -6.0259 3 1220.1248540  595161404673631 4    673532 4      C-13-H3C(O)CH3
  229483.5004  0.0034 -5.4495 3  384.1741648 -595161404401327 0    401228 0      C-13-H3C(O)CH3
  229483.5004  0.0034 -4.4606 3  384.1741648 -595161404401427 0    401228 0      C-13-H3C(O)CH3
  229483.5494  0.0034 -5.4702 3  384.1741648  595161404401427 0    401328 0      C-13-H3C(O)CH3
  229483.5494  0.0034 -4.4627 3  384.1741648  595161404401327 0    401328 0      C-13-H3C(O)CH3
  229489.5370  0.1318 -6.0804 3 1208.5206524  595161404654521 3    654422 3      C-13-H3C(O)CH3
  229511.4383  0.7613 -7.1196 3 1749.3127636  595161404795128 4    795029 4      C-13-H3C(O)CH3
  229512.7646  0.1195 -6.0803 3 1208.5229524  595161404654520 3    654421 3      C-13-H3C(O)CH3
  229519.3028  0.0892 -5.7247 3 1220.1084A80  595161404673631 1    673532 1      C-13-H3C(O)CH3
  229533.9294  0.1025 -5.7247 3 1220.1114A80  595161404673631 2    673532 2      C-13-H3C(O)CH3
  229543.4019  0.0092 -6.9511 3   15.6901136  595161404 8 8 1 1     7 5 3 1      C-13-H3C(O)CH3
  229546.2406  0.0193 -7.1113 3   87.0916140  5951614041715 2 4    1712 5 4      C-13-H3C(O)CH3
  229555.7628  0.0064 -4.7540 3  648.9670808  595161404502228 0    502129 0      C-13-H3C(O)CH3
  229555.7690  0.0064 -4.7540 3  648.9670808  595161404502328 0    502229 0      C-13-H3C(O)CH3
  229556.6150  0.0101 -6.4589 3   20.0114 76  595161404 9 8 2 3     8 5 3 3      C-13-H3C(O)CH3
  229559.5185  0.1410 -5.7561 3 1208.4359A48  595161404654520 0    654421 0      C-13-H3C(O)CH3
  229574.1833  0.0890 -5.7245 3 1220.0951A80  595161404673631 0    673532 0      C-13-H3C(O)CH3
  229588.2903  0.1407 -5.7560 3 1208.4348A48  595161404654521 0    654422 0      C-13-H3C(O)CH3
  229599.2358  0.0093 -4.7538 3  648.9525808  595161404502228 2    502129 2      C-13-H3C(O)CH3
  229599.2428  0.0093 -4.7538 3  648.9525808  595161404502328 2    502229 2      C-13-H3C(O)CH3
  229601.4075  0.0071 -4.7537 3  648.9534808  595161404502228 1    502129 1      C-13-H3C(O)CH3
  229601.4145  0.0071 -4.7537 3  648.9534808  595161404502328 1    502229 1      C-13-H3C(O)CH3
  229601.9556  0.0176 -5.4041 3  307.4340536  595161404332211 2    331914 2      C-13-H3C(O)CH3
  229630.4287  0.0968 -6.0253 3 1220.1255540  595161404673731 4    673632 4      C-13-H3C(O)CH3
  229630.5498  0.0965 -6.0253 3 1220.1255540  595161404673731 3    673632 3      C-13-H3C(O)CH3
  229633.2380  0.0284 -6.9787 3  423.6756632  595161404392415 0    382712 0      C-13-H3C(O)CH3
  229640.7493  0.0386 -5.6067 3  921.2979452  595161404564215 4    564116 4      C-13-H3C(O)CH3
  229644.9572  0.0095 -5.0545 3  648.9389404  595161404502228 3    502129 3      C-13-H3C(O)CH3
  229644.9652  0.0095 -5.0545 3  648.9389404  595161404502328 3    502229 3      C-13-H3C(O)CH3
  229645.0546  0.0095 -5.0545 3  648.9388404  595161404502228 4    502129 4      C-13-H3C(O)CH3
  229645.0625  0.0095 -5.0545 3  648.9388404  595161404502328 4    502229 4      C-13-H3C(O)CH3
  229647.7591  0.0114 -5.0230 3   97.9055312  5951614041912 7 2    1813 6 2      C-13-H3C(O)CH3
  229665.7068  0.0887 -5.7242 3 1220.1092A80  595161404673731 1    673632 1      C-13-H3C(O)CH3
  229667.5895  0.2622 -6.3902 3 1388.7828564  595161404704724 4    704625 4      C-13-H3C(O)CH3
  229668.0785  0.1393 -5.7573 3 1208.4842A48  595161404654520 1    654421 1      C-13-H3C(O)CH3
  229675.3325  0.0962 -5.7242 3 1220.1121A80  595161404673731 2    673632 2      C-13-H3C(O)CH3
  229684.2074  0.0042 -4.2522 3   50.3027232 -59516140414 9 6 0    13 8 5 0      C-13-H3C(O)CH3
  229687.1009  0.0150 -6.8596 3   87.0526280  5951614041715 2 1    1712 5 1      C-13-H3C(O)CH3
  229710.5454  0.0884 -5.7240 3 1220.0958A80  595161404673731 0    673632 0      C-13-H3C(O)CH3
  229714.2142  0.1325 -5.7581 3 1208.4808A48  595161404654520 2    654421 2      C-13-H3C(O)CH3
  229725.4527  0.6729 -6.8981 3 1836.0185D04  595161404815229 0    815130 0      C-13-H3C(O)CH3
  229742.3994  0.0114 -5.2127 3   97.9285156  5951614041912 7 3    1813 6 3      C-13-H3C(O)CH3
  229746.4963  0.0106 -6.9602 3   15.6905136  595161404 8 8 1 2     7 5 3 2      C-13-H3C(O)CH3
  229763.3729  0.0090 -6.8962 3   20.0114 76  595161404 9 8 1 3     8 5 3 3      C-13-H3C(O)CH3
  229765.2795  0.0340 -5.6063 3  921.2968452  595161404564215 3    564116 3      C-13-H3C(O)CH3
  229766.1015  0.0159 -5.5550 3  109.6204164  5951614042013 7 4    1914 5 4      C-13-H3C(O)CH3
  229768.2282  0.7190 -6.9245 3 1836.0168D04  595161404815229 2    815130 2      C-13-H3C(O)CH3
  229782.8626  0.0311 -5.3052 3  921.2624904  595161404564215 2    564116 2      C-13-H3C(O)CH3
  229784.5148  0.3006 -6.8306 3 1388.7980564  595161404704724 3    704624 3      C-13-H3C(O)CH3
  229801.4307  0.3060 -6.1409 3 1388.7575B28  595161404704724 1    704625 1      C-13-H3C(O)CH3
  229809.3017  0.1331 -6.0571 3 1208.5297524  595161404654520 4    654421 4      C-13-H3C(O)CH3
  229811.1126  0.8235 -7.2051 3 1836.0349652  595161404815229 3    815130 3      C-13-H3C(O)CH3
  229811.3729  0.0134 -6.7655 3   87.0228280  5951614041715 2 0    1712 5 0      C-13-H3C(O)CH3
  229840.3247  0.2378 -6.0699 3 1388.7279B28  595161404704723 0    704624 0      C-13-H3C(O)CH3
  229840.6378  0.0016 -4.1444 3   79.4198156 -59516140419 514 3    18 613 3      C-13-H3C(O)CH3
  229840.6378  0.0017 -4.1444 3   79.4198156 -59516140419 614 4    18 513 4      C-13-H3C(O)CH3
  229840.6378  0.0016 -4.1444 3   79.4198156 -59516140419 614 3    18 513 3      C-13-H3C(O)CH3
  229840.6378  0.0017 -4.1444 3   79.4198156 -59516140419 514 4    18 613 4      C-13-H3C(O)CH3
  229845.5147  0.6394 -6.5565 3 1388.7980564  595161404704723 3    704624 3      C-13-H3C(O)CH3
  229845.7362  0.0294 -5.3050 3  921.2538904  595161404564215 1    564115 1      C-13-H3C(O)CH3
  229846.9514  0.9301 -7.0811 3 1924.8507D36  595161404835330 2    835231 2      C-13-H3C(O)CH3
  229863.4825  0.0317 -5.6061 3  921.2993452  595161404564214 3    564115 3      C-13-H3C(O)CH3
  229864.6264  0.6815 -6.9087 3 1836.0364D04  595161404815229 1    815130 1      C-13-H3C(O)CH3
  229866.6059  0.8440 -7.0672 3 1924.8567D36  595161404835330 0    835231 0      C-13-H3C(O)CH3
  229903.7713  0.1757 -6.3105 3 1375.7220572  595161404713932 3    713833 3      C-13-H3C(O)CH3
  229903.7851  0.1755 -6.3105 3 1375.7220572  595161404713932 4    713833 4      C-13-H3C(O)CH3
  229906.3836  0.2560 -6.1130 3 1388.7457B28  595161404704724 2    704625 2      C-13-H3C(O)CH3
  229906.6979  0.0017 -3.8432 3   79.3839312 -59516140419 614 1    18 513 1      C-13-H3C(O)CH3
  229906.6979  0.0017 -3.8432 3   79.3839312 -59516140419 514 1    18 613 1      C-13-H3C(O)CH3
  229907.8437  0.0017 -3.8433 3   79.3829312 -59516140419 614 2    18 513 2      C-13-H3C(O)CH3
  229907.8437  0.0017 -3.8433 3   79.3829312 -59516140419 514 2    18 613 2      C-13-H3C(O)CH3
  229933.3142  0.0252 -6.6450 3  264.5035252  595161404311813 3    302110 3      C-13-H3C(O)CH3
  229952.6062  0.1505 -6.0093 3 1375.7078B44  595161404713932 1    713833 1      C-13-H3C(O)CH3
  229969.6670  0.0319 -5.3047 3  921.2527904  595161404564214 1    564116 1      C-13-H3C(O)CH3
  229973.7148  0.0016 -3.8431 3   79.3472312 -59516140419 514 0    18 613 0      C-13-H3C(O)CH3
  229973.7148  0.0016 -3.8431 3   79.3472312 -59516140419 614 0    18 513 0      C-13-H3C(O)CH3
  229983.7261  0.1776 -6.0092 3 1375.7119B44  595161404713932 2    713833 2      C-13-H3C(O)CH3
  229987.1931  0.0320 -5.6057 3  921.2982452  595161404564214 4    564115 4      C-13-H3C(O)CH3
  229987.1963  0.0297 -5.3046 3  921.2183904  595161404564214 0    564115 0      C-13-H3C(O)CH3
  229987.2676  0.0297 -5.3046 3  921.2183904  595161404564215 0    564116 0      C-13-H3C(O)CH3
  230004.8055  0.0299 -5.3046 3  921.2638904  595161404564214 2    564115 2      C-13-H3C(O)CH3
  230012.5744  0.8423 -7.0698 3 1924.8706D36  595161404835330 1    835231 1      C-13-H3C(O)CH3
  230016.1052  0.0143 -6.8789 3   87.0503280  5951614041715 2 2    1712 5 2      C-13-H3C(O)CH3
  230032.1881  0.1511 -6.0090 3 1375.6977B44  595161404713932 0    713833 0      C-13-H3C(O)CH3
  230059.5306  0.2419 -6.1127 3 1388.7602B28  595161404704723 2    704624 2      C-13-H3C(O)CH3
  230071.1107  0.2517 -6.1402 3 1388.7697B28  595161404704723 1    704624 1      C-13-H3C(O)CH3
  230072.3925  0.5602 -6.5556 3 1388.7884564  595161404704724 3    704625 3      C-13-H3C(O)CH3
  230080.5936  0.2346 -6.0690 3 1388.7187B28  595161404704724 0    704625 0      C-13-H3C(O)CH3
  230089.9870  0.0040 -5.3677 3  360.0586316  595161404391327 4    391128 4      C-13-H3C(O)CH3
  230089.9870  0.0040 -6.5607 3  360.0586316  595161404391227 4    391228 4      C-13-H3C(O)CH3
  230090.0641  0.0040 -4.7084 3  360.0586316 -595161404391327 4    391228 4      C-13-H3C(O)CH3
  230090.0641  0.0040 -4.8119 3  360.0586316 -595161404391227 4    391128 4      C-13-H3C(O)CH3
  230090.1712  0.0039 -4.7359 3  360.0586316  595161404391327 3    391228 3      C-13-H3C(O)CH3
  230090.1712  0.0039 -5.8153 3  360.0586316  595161404391327 3    391128 3      C-13-H3C(O)CH3
  230090.1712  0.0039 -5.8024 3  360.0586316  595161404391227 3    391228 3      C-13-H3C(O)CH3
  230090.1712  0.0039 -4.7370 3  360.0586316  595161404391227 3    391128 3      C-13-H3C(O)CH3
  230103.8385  0.0160 -6.4281 3  140.7494360  5951614042217 6 1    2214 8 1      C-13-H3C(O)CH3
  230111.3427  0.0116 -5.0428 3   97.8980312  5951614041912 7 1    1813 6 1      C-13-H3C(O)CH3
  230124.1087  0.0040 -4.4000 3  360.0838632  595161404391227 2    391228 2      C-13-H3C(O)CH3
  230124.1087  0.0040 -4.4000 3  360.0838632  595161404391327 2    391128 2      C-13-H3C(O)CH3
  230128.6898  0.0040 -4.6761 3  360.0849632 -595161404391227 1    391128 1      C-13-H3C(O)CH3
  230128.6898  0.0040 -4.6757 3  360.0849632 -595161404391327 1    391228 1      C-13-H3C(O)CH3
  230128.7183  0.0040 -4.7279 3  360.0849632  595161404391327 1    391128 1      C-13-H3C(O)CH3
  230128.7183  0.0040 -4.7274 3  360.0849632  595161404391227 1    391228 1      C-13-H3C(O)CH3
  230133.3923  0.3274 -6.8295 3 1388.7884564  595161404704723 3    704625 3      C-13-H3C(O)CH3
  230144.0118  0.0119 -5.3758 3  109.5860328  5951614042013 7 2    1914 5 2      C-13-H3C(O)CH3
  230145.6009  0.0293 -6.7178 3  264.4967252  595161404311813 4    302110 4      C-13-H3C(O)CH3
  230147.7841  0.0798 -5.8904 3 1108.1054500  595161404624419 4    624320 4      C-13-H3C(O)CH3
  230162.5364  0.0034 -5.1281 3  360.1101632 -595161404391227 0    391228 0      C-13-H3C(O)CH3
  230162.5364  0.0034 -4.4999 3  360.1101632 -595161404391327 0    391228 0      C-13-H3C(O)CH3
  230162.6074  0.0034 -5.0864 3  360.1101632  595161404391327 0    391128 0      C-13-H3C(O)CH3
  230162.6074  0.0034 -4.4897 3  360.1101632  595161404391227 0    391128 0      C-13-H3C(O)CH3
  230175.9578  0.0205 -6.3818 3  264.5206504  595161404311813 1    302110 1      C-13-H3C(O)CH3
  230185.2252  0.0159 -6.6088 3  127.0697172  5951614042116 6 4    2113 9 4      C-13-H3C(O)CH3
  230192.1964  0.9453 -6.9828 3 1664.6085620  595161404775028 4    774929 4      C-13-H3C(O)CH3
  230231.9246  0.0163 -5.0796 3  589.7982696  5951614044339 5 2    4338 6 2      C-13-H3C(O)CH3
  230249.8388  0.2743 -6.3886 3 1388.8039564  595161404704723 4    704624 4      C-13-H3C(O)CH3
  230252.8151  0.0532 -5.7396 3 1012.3741476  595161404594317 4    594218 4      C-13-H3C(O)CH3
  230266.5526  0.0224 -5.3803 3  589.7708348  5951614044339 5 4    4338 6 4      C-13-H3C(O)CH3
  230295.0291  0.0307 -7.1759 3  537.9761712  595161404442718 0    433013 0      C-13-H3C(O)CH3
  230298.5991  0.2203 -6.6157 3 1540.1489604  595161404754333 4    754234 4      C-13-H3C(O)CH3
  230298.7507  0.2195 -6.6157 3 1540.1488604  595161404754333 3    754234 3      C-13-H3C(O)CH3
  230308.6240  0.0119 -5.3400 3  109.5868328  5951614042013 7 1    1914 5 1      C-13-H3C(O)CH3
  230323.9577  0.7394 -6.6383 3 1664.5811C40  595161404775028 2    774929 2      C-13-H3C(O)CH3
  230327.9764  0.2254 -6.3146 3 1540.1392C08  595161404754333 1    754234 1      C-13-H3C(O)CH3
  230332.4956  0.0905 -5.5888 3 1108.0618A00  595161404624419 1    624320 1      C-13-H3C(O)CH3
  230334.1289  0.2214 -6.3146 3 1540.1438C08  595161404754333 2    754234 2      C-13-H3C(O)CH3
  230349.7435  0.0093 -5.2918 3  151.8358376  5951614042317 7 0    2218 4 0      C-13-H3C(O)CH3
  230357.2826  0.0131 -6.9043 3   39.2407100  5951614041210 2 4    11 9 3 4      C-13-H3C(O)CH3
  230363.3510  0.2264 -6.3144 3 1540.1342C08  595161404754333 0    754234 0      C-13-H3C(O)CH3
  230367.0135  0.0817 -5.5887 3 1108.0658A00  595161404624419 2    624320 2      C-13-H3C(O)CH3
  230369.1411  0.0211 -6.7567 3  140.7546180  5951614042217 6 3    2214 8 3      C-13-H3C(O)CH3
  230380.2818  0.0520 -5.6939 3 1036.1563500  595161404623230 3    623131 3      C-13-H3C(O)CH3
  230380.3144  0.0521 -5.6939 3 1036.1564500  595161404623230 4    623131 4      C-13-H3C(O)CH3
  230392.2698  0.0149 -5.0794 3  589.8195696  5951614044339 5 0    4338 6 0      C-13-H3C(O)CH3
  230392.2698  0.0149 -5.0794 3  589.8195696  5951614044339 4 0    4338 5 0      C-13-H3C(O)CH3
  230395.9775  0.0516 -5.6939 3 1036.1564500  595161404623330 4    623231 4      C-13-H3C(O)CH3
  230395.9798  0.0515 -5.6939 3 1036.1564500  595161404623330 3    623231 3      C-13-H3C(O)CH3
  230396.1399  0.0438 -5.3929 3 1036.1424A00  595161404623230 1    623131 1      C-13-H3C(O)CH3
  230401.5739  0.0512 -5.3929 3 1036.1440A00  595161404623230 2    623131 2      C-13-H3C(O)CH3
  230409.6763  0.0704 -5.8900 3 1108.1136500  595161404624418 3    624319 3      C-13-H3C(O)CH3
  230410.9147  0.0438 -5.3928 3 1036.1424A00  595161404623330 1    623231 1      C-13-H3C(O)CH3
  230415.9089  0.0506 -5.3928 3 1036.1440A00  595161404623330 2    623231 2      C-13-H3C(O)CH3
  230417.3664  0.0428 -5.3929 3 1036.1300A00  595161404623230 0    623131 0      C-13-H3C(O)CH3
  230424.2170  0.0156 -5.0792 3  589.8259696  5951614044339 4 2    4338 5 2      C-13-H3C(O)CH3
  230425.8748  0.0193 -5.3801 3  589.8190348  5951614044339 4 3    4338 5 3      C-13-H3C(O)CH3
  230426.4718  0.0174 -5.0791 3  589.7921696  5951614044339 5 1    4338 6 1      C-13-H3C(O)CH3
  230428.7641  0.0106 -6.1087 3  137.6934360  5951614042216 7 1    221310 1      C-13-H3C(O)CH3
  230430.8531  0.0429 -5.3928 3 1036.1301A00  595161404623330 0    623231 0      C-13-H3C(O)CH3
  230434.0827  0.6309 -6.6360 3 1664.6009C40  595161404775028 1    774929 1      C-13-H3C(O)CH3
  230434.3691  0.5547 -6.8902 3 1388.7575B28  595161404704723 1    704625 1      C-13-H3C(O)CH3
  230439.0126  0.0734 -5.8900 3 1108.1112500  595161404624419 3    624320 3      C-13-H3C(O)CH3
  230441.2654  0.0498 -5.4380 3 1012.3361952  595161404594317 2    594218 2      C-13-H3C(O)CH3
  230446.9190  0.0479 -5.7392 3 1012.3789476  595161404594317 3    594217 3      C-13-H3C(O)CH3
  230447.6087  0.0204 -5.3732 3  705.9832388  5951614044840 9 4    483910 4      C-13-H3C(O)CH3
  230451.2382  0.1501 -6.3085 3 1375.7252572  595161404714032 4    713933 4      C-13-H3C(O)CH3
  230451.4205  0.1497 -6.3085 3 1375.7251572  595161404714032 3    713933 3      C-13-H3C(O)CH3
  230455.1161  0.0206 -5.3732 3  705.9938388  5951614044840 9 3    483910 3      C-13-H3C(O)CH3
  230455.9035  0.0514 -5.4379 3 1012.3287952  595161404594317 1    594218 1      C-13-H3C(O)CH3
  230457.5762  0.0200 -5.3799 3  589.7985348  5951614044339 5 3    4338 6 3      C-13-H3C(O)CH3
  230463.6939  0.3887 -6.5706 3 1664.5736C40  595161404775028 0    774929 0      C-13-H3C(O)CH3
  230467.7763  0.0161 -5.0723 3  705.9844776  5951614044840 9 2    483910 2      C-13-H3C(O)CH3
  230476.3661  0.0162 -5.0723 3  705.9949776  5951614044840 8 2    4839 9 2      C-13-H3C(O)CH3
  230489.0907  0.1445 -6.0073 3 1375.7109B44  595161404714032 1    713933 1      C-13-H3C(O)CH3
  230492.3103  0.6478 -7.0906 3 1388.7457B28  595161404704723 2    704625 2      C-13-H3C(O)CH3
  230500.7146  0.1501 -6.0073 3 1375.7148B44  595161404714032 2    713933 2      C-13-H3C(O)CH3
  230517.1026  0.0137 -6.8518 3   86.9468280  5951614041715 3 1    1712 6 1      C-13-H3C(O)CH3
  230517.3339  0.0199 -5.3732 3  706.0094388  5951614044840 8 3    4839 9 3      C-13-H3C(O)CH3
  230517.6931  0.0084 -5.2921 3  151.8448376  5951614042317 6 2    2218 4 2      C-13-H3C(O)CH3
  230519.6780  0.0443 -5.7390 3 1012.3782476  595161404594316 3    594218 3      C-13-H3C(O)CH3
  230521.7287  0.0094 -5.2910 3  151.8357376  5951614042317 6 0    2218 5 0      C-13-H3C(O)CH3
  230524.6266  0.5234 -6.8796 3 1664.6084620  595161404775028 3    774929 3      C-13-H3C(O)CH3
  230525.2304  0.0207 -5.3732 3  706.0198388  5951614044840 8 4    4839 9 4      C-13-H3C(O)CH3
  230535.9869  0.0154 -7.0746 3  568.5718380  595161404472027 4    462324 4      C-13-H3C(O)CH3
  230536.0875  0.0154 -7.0747 3  568.5719380  595161404472027 3    462324 3      C-13-H3C(O)CH3
  230538.4783  0.1448 -6.0072 3 1375.7005B44  595161404714032 0    713933 0      C-13-H3C(O)CH3
  230538.5128  0.0154 -7.0746 3  568.5718380  595161404472127 4    462224 4      C-13-H3C(O)CH3
  230538.6243  0.0154 -7.0746 3  568.5718380  595161404472127 3    462224 3      C-13-H3C(O)CH3
  230549.2754  0.0921 -5.5881 3 1108.0225A00  595161404624418 0    624319 0      C-13-H3C(O)CH3
  230553.8327  0.0920 -5.5881 3 1108.0223A00  595161404624419 0    624320 0      C-13-H3C(O)CH3
  230556.8041  0.0135 -6.7746 3  568.5915760  595161404472027 1    462324 1      C-13-H3C(O)CH3
  230559.1384  0.0135 -6.7746 3  568.5915760  595161404472127 1    462224 1      C-13-H3C(O)CH3
  230566.4877  0.0172 -5.0720 3  705.9699776  5951614044840 9 1    483910 1      C-13-H3C(O)CH3
  230578.9791  0.0150 -6.7728 3  568.5895760  595161404472027 2    462324 2      C-13-H3C(O)CH3
  230581.3708  0.0150 -6.7728 3  568.5894760  595161404472127 2    462224 2      C-13-H3C(O)CH3
  230587.2054  0.0154 -5.0721 3  705.9711776  5951614044840 9 0    483910 0      C-13-H3C(O)CH3
  230587.2054  0.0154 -5.0721 3  705.9711776  5951614044840 8 0    4839 9 0      C-13-H3C(O)CH3
  230587.2960  0.0154 -5.0789 3  589.8403696  5951614044339 4 1    4338 5 1      C-13-H3C(O)CH3
  230594.2882  0.0927 -5.5881 3 1108.0701A00  595161404624418 1    624319 1      C-13-H3C(O)CH3
  230599.5792  0.0112 -6.7740 3  568.6091760  595161404472027 0    462324 0      C-13-H3C(O)CH3
  230601.7809  0.0112 -6.7740 3  568.6090760  595161404472127 0    462224 0      C-13-H3C(O)CH3
  230618.6698  0.0194 -5.3797 3  589.8465348  5951614044339 4 4    4338 5 4      C-13-H3C(O)CH3
  230637.1894  0.0167 -5.0720 3  705.9960776  5951614044840 8 1    4839 9 1      C-13-H3C(O)CH3
  230643.6698  0.0542 -5.4374 3 1012.2908952  595161404594316 0    594217 0      C-13-H3C(O)CH3
  230644.2895  0.0542 -5.4374 3 1012.2908952  595161404594317 0    594218 0      C-13-H3C(O)CH3
  230645.9513  0.0201 -6.6323 3  140.7546180  5951614042217 5 3    2214 8 3      C-13-H3C(O)CH3
  230649.6294  0.0566 -5.4374 3 1012.3336952  595161404594316 1    594217 1      C-13-H3C(O)CH3
  230657.8449  0.0820 -5.5880 3 1108.0717A00  595161404624418 2    624319 2      C-13-H3C(O)CH3
  230680.0815  0.0040 -4.7620 3  336.5842308 -595161404381227 4    381128 4      C-13-H3C(O)CH3
  230680.0815  0.0040 -4.7620 3  336.5842308 -595161404381127 4    381028 4      C-13-H3C(O)CH3
  230680.0874  0.0040 -5.4760 3  336.5842308  595161404381127 4    381128 4      C-13-H3C(O)CH3
  230680.0874  0.0040 -5.4760 3  336.5842308  595161404381227 4    381028 4      C-13-H3C(O)CH3
  230680.3000  0.0038 -4.6940 3  336.5842308  595161404381127 3    381028 3      C-13-H3C(O)CH3
  230680.3000  0.0038 -4.6940 3  336.5842308  595161404381227 3    381128 3      C-13-H3C(O)CH3
  230680.3518  0.0038 -6.3861 3  336.5842308 -595161404381127 3    381128 3      C-13-H3C(O)CH3
  230680.3518  0.0038 -6.3861 3  336.5842308 -595161404381227 3    381028 3      C-13-H3C(O)CH3
  230682.9683  0.0088 -6.0282 3   19.8842152  595161404 9 8 2 0     8 5 3 0      C-13-H3C(O)CH3
  230700.0495  0.0795 -5.8889 3 1108.1195500  595161404624418 4    624319 4      C-13-H3C(O)CH3
  230707.5781  0.0494 -5.4373 3 1012.3403952  595161404594316 2    594217 2      C-13-H3C(O)CH3
  230712.8911  0.0492 -5.7383 3 1012.3831476  595161404594316 4    594217 4      C-13-H3C(O)CH3
  230735.6489  0.0039 -5.2821 3  336.6066616 -595161404381127 2    381028 2      C-13-H3C(O)CH3
  230735.6489  0.0039 -5.0632 3  336.6066616 -595161404381227 2    381028 2      C-13-H3C(O)CH3
  230735.6760  0.0039 -4.4427 3  336.6066616  595161404381127 2    381128 2      C-13-H3C(O)CH3
  230735.6760  0.0039 -4.4860 3  336.6066616  595161404381227 2    381128 2      C-13-H3C(O)CH3
  230736.3284  0.0279 -5.4658 3  809.5722420  595161404524111 4    524012 4      C-13-H3C(O)CH3
  230740.1605  0.0040 -4.4191 3  336.6077616 -595161404381227 1    381128 1      C-13-H3C(O)CH3
  230740.1605  0.0040 -4.4191 3  336.6077616 -595161404381127 1    381028 1      C-13-H3C(O)CH3
  230740.1809  0.0040 -5.4951 3  336.6077616  595161404381127 1    381128 1      C-13-H3C(O)CH3
  230740.1809  0.0040 -5.4951 3  336.6077616  595161404381227 1    381028 1      C-13-H3C(O)CH3
  230748.6088  0.0107 -6.2642 3  137.6980180  5951614042216 7 3    221310 3      C-13-H3C(O)CH3
  230751.7632  0.0090 -5.2906 3  151.8356376  5951614042317 6 1    2218 4 1      C-13-H3C(O)CH3
  230756.7626  0.0244 -5.4656 3  809.5607420  595161404524112 3    524013 3      C-13-H3C(O)CH3
  230756.7968  0.0132 -6.8714 3   86.9514280  5951614041715 3 2    1712 6 2      C-13-H3C(O)CH3
  230772.3628  0.0265 -6.8337 3  151.7895188  5951614042317 7 3    2218 4 3      C-13-H3C(O)CH3
  230773.1006  0.0157 -6.4220 3  140.7409360  5951614042217 6 2    2214 8 2      C-13-H3C(O)CH3
  230791.5801  0.0205 -5.1646 3  809.5423840  595161404524112 2    524012 2      C-13-H3C(O)CH3
  230794.0125  0.0058 -4.7068 3  619.1020792  595161404492128 0    492029 0      C-13-H3C(O)CH3
  230794.0143  0.0058 -4.7068 3  619.1020792  595161404492228 0    492129 0      C-13-H3C(O)CH3
  230795.4686  0.0034 -6.0786 3  336.6300616 -595161404381127 0    381028 0      C-13-H3C(O)CH3
  230795.4686  0.0034 -5.9811 3  336.6300616 -595161404381227 0    381128 0      C-13-H3C(O)CH3
  230795.4701  0.0034 -4.3949 3  336.6300616  595161404381127 0    381128 0      C-13-H3C(O)CH3
  230795.4701  0.0034 -4.3926 3  336.6300616  595161404381227 0    381028 0      C-13-H3C(O)CH3
  230824.5989  0.0088 -5.2911 3  151.7898376  5951614042317 7 2    2218 5 2      C-13-H3C(O)CH3
  230828.3900  0.0125 -5.5897 3  151.8446188  5951614042317 6 4    2218 4 4      C-13-H3C(O)CH3
  230838.9800  0.0081 -4.7065 3  619.0844792  595161404492128 2    492029 2      C-13-H3C(O)CH3
  230838.9822  0.0081 -4.7065 3  619.0844792  595161404492228 2    492129 2      C-13-H3C(O)CH3
  230841.4612  0.0064 -4.7065 3  619.0854792  595161404492128 1    492029 1      C-13-H3C(O)CH3
  230841.4634  0.0064 -4.7065 3  619.0854792  595161404492228 1    492129 1      C-13-H3C(O)CH3
  230853.3578  0.0018 -4.0777 3   83.0112164 -59516140420 416 3    19 515 3      C-13-H3C(O)CH3
  230853.3578  0.0018 -4.0777 3   83.0112164 -59516140420 516 4    19 415 4      C-13-H3C(O)CH3
  230853.3578  0.0018 -4.0777 3   83.0112164 -59516140420 416 4    19 515 4      C-13-H3C(O)CH3
  230853.3578  0.0018 -4.0777 3   83.0112164 -59516140420 516 3    19 415 3      C-13-H3C(O)CH3
  230855.5416  0.0246 -5.4654 3  809.5699420  595161404524111 3    524012 3      C-13-H3C(O)CH3
  230865.8496  0.0088 -5.2911 3  151.7755376  5951614042317 7 1    2218 5 1      C-13-H3C(O)CH3
  230875.5931  0.0225 -5.4653 3  809.5584420  595161404524112 4    524013 4      C-13-H3C(O)CH3
  230877.4849  0.0040 -4.5420 3   57.5106124 -59516140415 9 7 4    14 8 6 4      C-13-H3C(O)CH3
  230886.2624  0.0103 -6.0953 3  137.6895360  5951614042216 7 2    221310 2      C-13-H3C(O)CH3
  230886.5076  0.0082 -5.0072 3  619.0678396  595161404492128 3    492029 3      C-13-H3C(O)CH3
  230886.5100  0.0082 -5.0072 3  619.0678396  595161404492228 3    492129 3      C-13-H3C(O)CH3
  230886.5944  0.0083 -5.0072 3  619.0678396  595161404492128 4    492029 4      C-13-H3C(O)CH3
  230886.5968  0.0083 -5.0072 3  619.0678396  595161404492228 4    492129 4      C-13-H3C(O)CH3
  230908.9473  0.0019 -3.7765 3   82.9720328 -59516140420 516 1    19 415 1      C-13-H3C(O)CH3
  230908.9473  0.0019 -3.7765 3   82.9720328 -59516140420 416 1    19 515 1      C-13-H3C(O)CH3
  230909.5404  0.0018 -3.7766 3   82.9713328 -59516140420 416 2    19 515 2      C-13-H3C(O)CH3
  230909.5404  0.0018 -3.7766 3   82.9713328 -59516140420 516 2    19 415 2      C-13-H3C(O)CH3
  230909.8444  0.0190 -5.1642 3  809.5399840  595161404524111 2    524013 2      C-13-H3C(O)CH3
  230915.6358  0.0202 -5.1643 3  809.5365840  595161404524111 1    524012 1      C-13-H3C(O)CH3
  230926.5120  0.0099 -5.6153 3  151.7844188  5951614042317 7 3    2218 5 3      C-13-H3C(O)CH3
  230931.0098  0.4600 -6.8556 3 1667.2054628  595161404784434 3    784335 3      C-13-H3C(O)CH3
  230931.0145  0.4590 -6.8556 3 1667.2054628  595161404784434 4    784335 4      C-13-H3C(O)CH3
  230935.3138  0.0181 -5.1641 3  809.5249840  595161404524112 1    524013 1      C-13-H3C(O)CH3
  230950.6431  0.0039 -4.5408 3   57.5092124 -59516140415 9 7 3    14 8 6 3      C-13-H3C(O)CH3
  230953.9381  0.3795 -6.5544 3 1667.1998C56  595161404784434 1    784335 1      C-13-H3C(O)CH3
  230965.0731  0.0017 -3.7764 3   82.9322328 -59516140420 516 0    19 415 0      C-13-H3C(O)CH3
  230965.0731  0.0017 -3.7764 3   82.9322328 -59516140420 416 0    19 515 0      C-13-H3C(O)CH3
  230969.9076  0.0175 -5.1641 3  809.5065840  595161404524111 0    524012 0      C-13-H3C(O)CH3
  230969.9087  0.0175 -5.1641 3  809.5065840  595161404524112 0    524013 0      C-13-H3C(O)CH3
  231004.7096  0.0379 -7.0059 3  462.0732664  595161404412418 2    402713 2      C-13-H3C(O)CH3
  231041.4808  0.0087 -4.9773 3  109.5427328  5951614042013 7 0    1914 6 0      C-13-H3C(O)CH3
  231054.7889  0.4791 -6.5541 3 1667.2057C56  595161404784434 2    784335 2      C-13-H3C(O)CH3
  231077.7420  0.3856 -6.5540 3 1667.2001C56  595161404784434 0    784335 0      C-13-H3C(O)CH3
  231121.9777  0.0088 -6.3317 3   19.9493152  595161404 9 8 1 1     8 5 3 1      C-13-H3C(O)CH3
  231123.1533  0.0161 -5.4200 3   97.8844156  5951614041912 7 4    1813 6 4      C-13-H3C(O)CH3
  231136.3145  0.0063 -6.1792 3  240.0107244  595161404301515 3    291812 3      C-13-H3C(O)CH3
  231138.0454  0.0083 -6.7324 3   15.6292136  595161404 8 8 0 0     7 5 3 0      C-13-H3C(O)CH3
  231143.1320  0.0038 -4.2396 3   57.4680248 -59516140415 9 7 1    14 8 6 1      C-13-H3C(O)CH3
  231144.9970  0.0059 -6.1791 3  240.0105244  595161404301515 4    291812 4      C-13-H3C(O)CH3
  231155.2793  0.0154 -5.0417 3  832.3287904  595161404562729 0    562630 0      C-13-H3C(O)CH3
  231155.6517  0.0154 -5.0417 3  832.3287904  595161404562829 0    562730 0      C-13-H3C(O)CH3
  231163.9497  0.0096 -5.6138 3  151.7895188  5951614042317 6 3    2218 4 3      C-13-H3C(O)CH3
  231174.2674  0.0064 -5.8752 3  240.0248488  595161404301515 2    291812 2      C-13-H3C(O)CH3
  231175.1173  0.0168 -5.0415 3  832.3311904  595161404562729 1    562630 1      C-13-H3C(O)CH3
  231175.5356  0.0168 -5.0415 3  832.3311904  595161404562829 1    562730 1      C-13-H3C(O)CH3
  231175.9553  0.0217 -5.0415 3  832.3313904  595161404562729 2    562630 2      C-13-H3C(O)CH3
  231176.3659  0.0217 -5.0415 3  832.3313904  595161404562829 2    562730 2      C-13-H3C(O)CH3
  231195.8329  0.0224 -5.3424 3  832.3337452  595161404562729 3    562630 3      C-13-H3C(O)CH3
  231195.9255  0.0225 -5.3424 3  832.3337452  595161404562729 4    562630 4      C-13-H3C(O)CH3
  231196.2941  0.0224 -5.3424 3  832.3337452  595161404562829 3    562730 3      C-13-H3C(O)CH3
  231196.3843  0.0225 -5.3424 3  832.3337452  595161404562829 4    562730 4      C-13-H3C(O)CH3
  231204.0705  0.0088 -6.3378 3   19.9470152  595161404 9 8 1 2     8 5 3 2      C-13-H3C(O)CH3
  231206.8120  0.0117 -6.3358 3  109.5683164  5951614042013 7 3    1914 5 3      C-13-H3C(O)CH3
  231212.6869  0.0064 -5.8772 3  240.0286488  595161404301515 1    291812 1      C-13-H3C(O)CH3
  231221.6682  0.0042 -5.5345 3  313.6970300  595161404371127 4    371028 4      C-13-H3C(O)CH3
  231221.6682  0.0042 -4.7387 3  313.6970300  595161404371127 4    37 928 4      C-13-H3C(O)CH3
  231221.6682  0.0042 -4.7387 3  313.6970300  595161404371027 4    371028 4      C-13-H3C(O)CH3
  231221.6682  0.0042 -5.5345 3  313.6970300  595161404371027 4    37 928 4      C-13-H3C(O)CH3
  231221.9016  0.0039 -4.6759 3  313.6970300  595161404371127 3    371028 3      C-13-H3C(O)CH3
  231221.9016  0.0039 -7.0808 3  313.6970300  595161404371127 3    37 928 3      C-13-H3C(O)CH3
  231221.9016  0.0039 -4.6746 3  313.6970300  595161404371027 3    371028 3      C-13-H3C(O)CH3
  231222.5444  0.0022 -5.3459 3   43.7951108  59516140413 9 4 4    12 8 4 4      C-13-H3C(O)CH3
  231248.4687  0.0063 -5.8743 3  240.0427488  595161404301515 0    291812 0      C-13-H3C(O)CH3
  231255.8501  0.0023 -5.5253 3   43.7439216  59516140413 9 4 1    12 8 4 1      C-13-H3C(O)CH3
  231257.3940  0.0106 -5.5892 3  151.7294188  5951614042317 7 4    2218 5 4      C-13-H3C(O)CH3
  231259.3105  0.0278 -6.7696 3  251.3872456  5951614042826 2 0    2727 1 0      C-13-H3C(O)CH3
  231259.3105  0.0278 -6.7696 3  251.3872456  5951614042826 3 0    2727 0 0      C-13-H3C(O)CH3
  231265.2300  0.0042 -4.2393 3   57.4621248 -59516140415 9 7 2    14 8 6 2      C-13-H3C(O)CH3
  231276.4386  0.0025 -5.6359 3   43.7408216  59516140413 9 4 2    12 8 4 2      C-13-H3C(O)CH3
  231301.1169  0.0271 -6.7703 3  251.3206456  5951614042826 3 1    2727 0 1      C-13-H3C(O)CH3
  231301.5420  0.0038 -4.3973 3  313.7156600 -595161404371027 2    371028 2      C-13-H3C(O)CH3
  231301.5420  0.0038 -4.4088 3  313.7156600 -595161404371127 2    37 928 2      C-13-H3C(O)CH3
  231301.5872  0.0038 -5.6346 3  313.7156600  595161404371027 2    37 928 2      C-13-H3C(O)CH3
  231301.5872  0.0038 -5.4719 3  313.7156600  595161404371127 2    371028 2      C-13-H3C(O)CH3
  231305.9271  0.0039 -4.3730 3  313.7166600  595161404371027 1    371028 1      C-13-H3C(O)CH3
  231305.9271  0.0039 -4.3730 3  313.7166600  595161404371127 1    37 928 1      C-13-H3C(O)CH3
  231308.1096  0.0102 -7.1316 3  137.6980180  5951614042216 6 3    221310 3      C-13-H3C(O)CH3
  231315.1620  0.0087 -5.4235 3  285.0690520  595161404322012 0    321715 0      C-13-H3C(O)CH3
  231318.0989  0.0268 -6.8318 3  151.7844188  5951614042317 6 3    2218 5 3      C-13-H3C(O)CH3
  231335.8861  0.0101 -5.4232 3  285.0437520  595161404322012 2    321715 2      C-13-H3C(O)CH3
  231380.4552  0.0114 -6.3132 3  127.0631344  5951614042116 6 1    2113 9 1      C-13-H3C(O)CH3
  231385.4374  0.0035 -4.7854 3  313.7351600 -595161404371027 0    37 928 0      C-13-H3C(O)CH3
  231385.4804  0.0035 -4.5846 3  313.7351600  595161404371027 0    371028 0      C-13-H3C(O)CH3
  231385.4804  0.0035 -4.5846 3  313.7351600  595161404371127 0    37 928 0      C-13-H3C(O)CH3
  231385.4804  0.0035 -4.7854 3  313.7351600  595161404371127 0    371028 0      C-13-H3C(O)CH3
  231427.4878  0.0186 -5.1276 3  569.5789680  5951614044239 4 2    4238 5 2      C-13-H3C(O)CH3
  231482.5004  0.0105 -5.4255 3  285.0510520  595161404322012 1    321715 1      C-13-H3C(O)CH3
  231485.6787  0.0250 -5.4282 3  569.5466340  5951614044239 4 4    4238 5 4      C-13-H3C(O)CH3
  231490.8110  0.0107 -5.7262 3  285.0259260  595161404322012 4    321715 4      C-13-H3C(O)CH3
  231492.2280  0.0039 -4.2385 3   57.4204248 -59516140415 9 7 0    14 8 6 0      C-13-H3C(O)CH3
  231515.1711  0.0146 -5.7264 3  285.0258260  595161404322012 3    321715 3      C-13-H3C(O)CH3
  231566.3155  0.0087 -6.6108 3   20.0133 76  595161404 9 8 1 4     8 5 3 4      C-13-H3C(O)CH3
  231577.7042  0.0071 -6.8776 3   65.0460132  59516140416 9 8 4    16 611 4      C-13-H3C(O)CH3
  231583.4529  0.0236 -6.9436 3  462.0591664  595161404412418 1    402713 1      C-13-H3C(O)CH3
  231585.6194  0.0053 -6.8776 3   65.0460132  59516140416 9 8 3    16 611 3      C-13-H3C(O)CH3
  231586.3814  0.0168 -5.1274 3  569.6091680  5951614044239 4 0    4238 5 0      C-13-H3C(O)CH3
  231586.3814  0.0168 -5.1274 3  569.6091680  5951614044239 3 0    4238 4 0      C-13-H3C(O)CH3
  231606.2913  0.0268 -6.7686 3  251.3118456  5951614042826 3 2    2727 1 2      C-13-H3C(O)CH3
  231644.2843  0.0197 -5.1270 3  569.5767680  5951614044239 4 1    4238 5 1      C-13-H3C(O)CH3
  231646.7366  0.0264 -7.0703 3  251.2454228  5951614042826 3 4    2727 1 4      C-13-H3C(O)CH3
  231652.7955  0.0287 -6.7681 3  251.3112456  5951614042826 2 1    2727 1 1      C-13-H3C(O)CH3
  231657.3470  0.0222 -5.4280 3  569.6005340  5951614044239 3 3    4238 4 3      C-13-H3C(O)CH3
  231665.3236  0.9481 -7.1489 3 1466.0292B60  595161404724825 2    724725 2      C-13-H3C(O)CH3
  231665.5601  0.0181 -5.1271 3  569.6124680  5951614044239 3 2    4238 4 2      C-13-H3C(O)CH3
  231670.6816  0.7238 -6.9080 3 1466.0410B60  595161404724825 1    724725 1      C-13-H3C(O)CH3
  231679.3319  0.0090 -7.1263 3   15.6901136  595161404 8 8 0 1     7 5 3 1      C-13-H3C(O)CH3
  231710.7545  0.0068 -5.9064 3  137.6851360  5951614042216 7 0    221310 0      C-13-H3C(O)CH3
  231717.7460  0.0044 -4.6825 3  291.3984292  595161404361027 4    36 828 4      C-13-H3C(O)CH3
  231717.7460  0.0044 -4.6825 3  291.3984292  59516140436 927 4    36 928 4      C-13-H3C(O)CH3
  231717.7982  0.0044 -6.1725 3  291.3984292 -59516140436 927 4    36 828 4      C-13-H3C(O)CH3
  231717.7982  0.0040 -4.8513 3  291.3984292 -59516140436 927 3    36 828 3      C-13-H3C(O)CH3
  231717.7982  0.0044 -6.1725 3  291.3984292 -595161404361027 4    36 928 4      C-13-H3C(O)CH3
  231717.7982  0.0040 -4.8513 3  291.3984292 -595161404361027 3    36 928 3      C-13-H3C(O)CH3
  231717.9893  0.0040 -5.1330 3  291.3984292  595161404361027 3    36 828 3      C-13-H3C(O)CH3
  231717.9893  0.0040 -5.1330 3  291.3984292  59516140436 927 3    36 928 3      C-13-H3C(O)CH3
  231720.7077  0.0091 -7.1175 3   15.6905136  595161404 8 8 0 2     7 5 3 2      C-13-H3C(O)CH3
  231722.6221  0.0225 -5.4278 3  569.5800340  5951614044239 4 3    4238 5 3      C-13-H3C(O)CH3
  231751.6987  0.0090 -6.5459 3  358.8800300  595161404371720 3    362017 3      C-13-H3C(O)CH3
  231751.7308  0.0091 -6.5459 3  358.8800300  595161404371720 4    362017 4      C-13-H3C(O)CH3
  231759.7781  0.0147 -6.5444 3  127.0710172  5951614042116 6 3    2113 9 3      C-13-H3C(O)CH3
  231761.2643  0.0260 -6.7667 3  251.3260456  5951614042826 2 2    2727 0 2      C-13-H3C(O)CH3
  231761.4997  0.0089 -6.2454 3  358.9083600  595161404371720 1    362017 1      C-13-H3C(O)CH3
  231798.8965  0.0215 -6.2240 3  228.1497440  5951614042724 4 0    2625 1 0      C-13-H3C(O)CH3
  231798.8968  0.0215 -6.2240 3  228.1497440  5951614042724 3 0    2625 2 0      C-13-H3C(O)CH3
  231800.5698  0.0265 -7.0685 3  251.2596228  5951614042826 2 3    2727 0 3      C-13-H3C(O)CH3
  231814.4752  0.0128 -5.3129 3  109.5481164  5951614042013 7 3    1914 6 3      C-13-H3C(O)CH3
  231815.2227  0.0183 -6.8942 3  462.0714664  595161404412418 0    402713 0      C-13-H3C(O)CH3
  231815.7544  0.0055 -6.5716 3   65.0045264  59516140416 9 8 2    16 611 2      C-13-H3C(O)CH3
  231817.4544  0.0180 -5.1268 3  569.6307680  5951614044239 3 1    4238 4 1      C-13-H3C(O)CH3
  231824.8889  0.0038 -4.3676 3  291.4120584  595161404361027 2    36 828 2      C-13-H3C(O)CH3
  231824.8889  0.0038 -4.3676 3  291.4120584  59516140436 927 2    36 928 2      C-13-H3C(O)CH3
  231826.6467  0.0091 -6.2426 3  358.9029600  595161404371720 2    362017 2      C-13-H3C(O)CH3
  231829.0009  0.0038 -4.4706 3  291.4129584  595161404361027 1    36 828 1      C-13-H3C(O)CH3
  231829.0009  0.0038 -4.4706 3  291.4129584  59516140436 927 1    36 928 1      C-13-H3C(O)CH3
  231829.0422  0.0038 -5.0412 3  291.4129584 -59516140436 927 1    36 828 1      C-13-H3C(O)CH3
  231829.0422  0.0038 -5.0412 3  291.4129584 -595161404361027 1    36 928 1      C-13-H3C(O)CH3
  231836.0456  0.0078 -6.2431 3  358.9312600  595161404371720 0    362017 0      C-13-H3C(O)CH3
  231844.4007  0.0112 -6.3173 3  127.0603344  5951614042116 6 2    2113 9 2      C-13-H3C(O)CH3
  231852.8873  0.0054 -6.5729 3   65.0056264  59516140416 9 8 1    16 611 1      C-13-H3C(O)CH3
  231896.4244  0.0230 -5.4275 3  569.6339340  5951614044239 3 4    4238 4 4      C-13-H3C(O)CH3
  231896.8666  0.0120 -5.1964 3  109.5276328  5951614042013 7 2    1914 6 2      C-13-H3C(O)CH3
  231909.9119  0.0020 -4.0196 3   86.0508172  59516140421 318 3    20 417 3      C-13-H3C(O)CH3
  231909.9556  0.0019 -4.0196 3   86.0508172 -59516140421 318 4    20 417 4      C-13-H3C(O)CH3
  231909.9556  0.0020 -4.0197 3   86.0508172 -59516140421 418 3    20 317 3      C-13-H3C(O)CH3
  231909.9556  0.0019 -4.0196 3   86.0508172 -59516140421 418 4    20 317 4      C-13-H3C(O)CH3
  231920.9649  0.0168 -6.3516 3  140.7494360  5951614042217 5 1    2214 8 1      C-13-H3C(O)CH3
  231935.6897  0.0035 -4.4133 3  291.4266584 -595161404361027 0    36 828 0      C-13-H3C(O)CH3
  231935.6897  0.0035 -5.3588 3  291.4266584 -59516140436 927 0    36 828 0      C-13-H3C(O)CH3
  231935.7143  0.0035 -5.3588 3  291.4266584  595161404361027 0    36 928 0      C-13-H3C(O)CH3
  231935.7143  0.0035 -4.4133 3  291.4266584  59516140436 927 0    36 928 0      C-13-H3C(O)CH3
  231945.5829  0.0054 -4.6619 3  589.8081776  595161404482028 0    481929 0      C-13-H3C(O)CH3
  231945.5834  0.0054 -4.6619 3  589.8081776  595161404482128 0    482029 0      C-13-H3C(O)CH3
  231951.5329  0.0210 -6.2242 3  228.0763440  5951614042724 4 1    2625 2 1      C-13-H3C(O)CH3
  231955.1973  0.0020 -3.7185 3   86.0061344 -59516140421 418 2    20 317 2      C-13-H3C(O)CH3
  231955.1973  0.0020 -3.7184 3   86.0067344 -59516140421 318 1    20 417 1      C-13-H3C(O)CH3
  231955.1973  0.0020 -3.7184 3   86.0067344 -59516140421 418 1    20 317 1      C-13-H3C(O)CH3
  231955.1973  0.0020 -3.7185 3   86.0061344 -59516140421 318 2    20 417 2      C-13-H3C(O)CH3
  231990.4352  0.0071 -4.6616 3  589.7877776  595161404482028 2    481929 2      C-13-H3C(O)CH3
  231990.4358  0.0071 -4.6616 3  589.7877776  595161404482128 2    482029 2      C-13-H3C(O)CH3
  231993.2131  0.0059 -4.6616 3  589.7887776  595161404482028 1    481929 1      C-13-H3C(O)CH3
  231993.2137  0.0059 -4.6616 3  589.7887776  595161404482128 1    482029 1      C-13-H3C(O)CH3
  231996.4795  0.0261 -7.0681 3  251.2360228  5951614042826 3 3    2727 1 3      C-13-H3C(O)CH3
  232000.3742  0.0018 -3.7183 3   85.9621344 -59516140421 318 0    20 417 0      C-13-H3C(O)CH3
  232000.3742  0.0018 -3.7183 3   85.9621344 -59516140421 418 0    20 317 0      C-13-H3C(O)CH3
  232010.7711  0.3350 -6.5325 3 1466.0434580  595161404724825 4    724726 4      C-13-H3C(O)CH3
  232029.5822  0.1627 -6.1777 3 1280.5536540  595161404674622 4    674523 4      C-13-H3C(O)CH3
  232038.1440  0.0072 -4.9623 3  589.7682388  595161404482028 3    481929 3      C-13-H3C(O)CH3
  232038.1448  0.0072 -4.9623 3  589.7682388  595161404482128 3    482029 3      C-13-H3C(O)CH3
  232038.2155  0.0073 -4.9623 3  589.7682388  595161404482028 4    481929 4      C-13-H3C(O)CH3
  232038.2163  0.0073 -4.9623 3  589.7682388  595161404482128 4    482029 4      C-13-H3C(O)CH3
  232073.0782  0.0143 -6.8008 3  127.0710172  5951614042116 5 3    2113 9 3      C-13-H3C(O)CH3
  232075.2522  0.5582 -6.5634 3 1466.0641580  595161404724824 3    724725 3      C-13-H3C(O)CH3
  232079.3704  1.0807 -7.1099 3 1749.1863636  595161404795129 4    795030 4      C-13-H3C(O)CH3
  232081.4594  0.0129 -6.0883 3  140.7350360  5951614042217 5 0    2214 8 0      C-13-H3C(O)CH3
  232086.6927  0.0053 -6.5679 3   64.9642264  59516140416 9 8 0    16 611 0      C-13-H3C(O)CH3
  232089.1686  0.2853 -6.2040 3 1466.0024B60  595161404724824 0    724725 0      C-13-H3C(O)CH3
  232104.3690  0.0206 -5.3694 3  683.2517380  5951614044740 8 4    4739 9 4      C-13-H3C(O)CH3
  232112.0412  0.0156 -5.0685 3  683.2583760  5951614044740 8 2    4739 9 2      C-13-H3C(O)CH3
  232143.5040  0.0230 -6.6379 3  140.7562180  5951614042217 5 4    2214 8 4      C-13-H3C(O)CH3
  232149.6906  0.0305 -7.0663 3  251.2501228  5951614042826 2 4    2727 0 4      C-13-H3C(O)CH3
  232160.1491  0.0202 -5.3693 3  683.2651380  5951614044740 8 3    4739 9 3      C-13-H3C(O)CH3
  232161.2131  0.3919 -6.2997 3 1466.0246B60  595161404724825 1    724726 1      C-13-H3C(O)CH3
  232161.7994  0.8279 -6.7695 3 1749.1628C72  595161404795129 2    795030 2      C-13-H3C(O)CH3
  232168.9983  0.0155 -5.0684 3  683.2716760  5951614044740 7 2    4739 8 2      C-13-H3C(O)CH3
  232169.0686  0.0111 -5.4205 3  119.3254172  5951614042113 9 4    2014 6 4      C-13-H3C(O)CH3
  232171.1435  0.0048 -5.5111 3  269.6895284  59516140435 927 4    35 828 4      C-13-H3C(O)CH3
  232171.1435  0.0048 -4.7372 3  269.6895284  59516140435 927 4    35 728 4      C-13-H3C(O)CH3
  232171.1435  0.0048 -5.5111 3  269.6895284  59516140435 827 4    35 728 4      C-13-H3C(O)CH3
  232171.1435  0.0048 -4.7372 3  269.6895284  59516140435 827 4    35 828 4      C-13-H3C(O)CH3
  232171.3821  0.0043 -4.8640 3  269.6895284  59516140435 827 3    35 828 3      C-13-H3C(O)CH3
  232171.3821  0.0043 -5.1123 3  269.6895284  59516140435 927 3    35 828 3      C-13-H3C(O)CH3
  232171.3821  0.0043 -5.1123 3  269.6895284  59516140435 827 3    35 728 3      C-13-H3C(O)CH3
  232171.3821  0.0043 -4.8640 3  269.6895284  59516140435 927 3    35 728 3      C-13-H3C(O)CH3
  232175.8383  0.1890 -5.8776 3 1280.5208A80  595161404674622 1    674523 1      C-13-H3C(O)CH3
  232197.9977  0.0190 -5.3693 3  683.2826380  5951614044740 7 3    4739 8 3      C-13-H3C(O)CH3
  232202.2988  0.0214 -6.2225 3  228.0765440  5951614042724 4 2    2625 2 2      C-13-H3C(O)CH3
  232211.9078  0.0215 -6.2222 3  228.0874440  5951614042724 3 1    2625 1 1      C-13-H3C(O)CH3
  232216.8046  0.0199 -6.2214 3  228.1057440  5951614042724 3 2    2625 1 2      C-13-H3C(O)CH3
  232239.2130  0.0169 -5.0682 3  683.2455760  5951614044740 8 1    4739 9 1      C-13-H3C(O)CH3
  232241.5999  0.0107 -6.3354 3  137.6934360  5951614042216 6 1    221310 1      C-13-H3C(O)CH3
  232247.3654  0.0148 -5.0683 3  683.2520760  5951614044740 7 0    4739 8 0      C-13-H3C(O)CH3
  232247.3654  0.0148 -5.0683 3  683.2520760  5951614044740 8 0    4739 9 0      C-13-H3C(O)CH3
  232254.5313  0.0193 -5.3692 3  683.2958380  5951614044740 7 4    4739 8 4      C-13-H3C(O)CH3
  232259.1861  0.5667 -6.8955 3 1280.5657540  595161404674622 3    674522 3      C-13-H3C(O)CH3
  232259.8263  0.3234 -6.2559 3 1466.0093B60  595161404724825 2    724726 2      C-13-H3C(O)CH3
  232263.6556  0.0126 -6.7598 3   86.9410280  5951614041715 3 0    1712 6 0      C-13-H3C(O)CH3
  232274.1350  0.1636 -5.8778 3 1280.5160A80  595161404674622 2    674523 2      C-13-H3C(O)CH3
  232292.2255  0.4481 -6.7239 3 1749.1609C72  595161404795129 0    795030 0      C-13-H3C(O)CH3
  232308.3742  0.0037 -5.2827 3  269.6971568 -59516140435 827 2    35 728 2      C-13-H3C(O)CH3
  232308.3742  0.0037 -5.2827 3  269.6971568 -59516140435 927 2    35 828 2      C-13-H3C(O)CH3
  232308.4087  0.0037 -4.4242 3  269.6971568  59516140435 827 2    35 828 2      C-13-H3C(O)CH3
  232308.4087  0.0037 -4.4242 3  269.6971568  59516140435 927 2    35 728 2      C-13-H3C(O)CH3
  232309.6492  0.6318 -6.7542 3 1749.1843C72  595161404795129 1    795030 1      C-13-H3C(O)CH3
  232311.4531  0.0356 -5.5707 3  894.4858444  595161404554214 4    554115 4      C-13-H3C(O)CH3
  232312.2290  0.0039 -4.8880 3  269.6979568  59516140435 827 1    35 828 1      C-13-H3C(O)CH3
  232312.2290  0.0039 -4.5241 3  269.6979568  59516140435 927 1    35 828 1      C-13-H3C(O)CH3
  232312.2711  0.0039 -4.8880 3  269.6979568 -59516140435 927 1    35 728 1      C-13-H3C(O)CH3
  232312.2711  0.0039 -4.5241 3  269.6979568 -59516140435 827 1    35 728 1      C-13-H3C(O)CH3
  232312.6816  0.2981 -6.2560 3 1466.0292B60  595161404724824 2    724725 2      C-13-H3C(O)CH3
  232313.6615  0.0199 -6.8967 3   41.1684100  5951614041211 2 3    1110 1 3      C-13-H3C(O)CH3
  232316.4048  0.0166 -6.3606 3  140.7409360  5951614042217 5 2    2214 8 2      C-13-H3C(O)CH3
  232321.3994  0.2131 -6.2684 3 1280.5637540  595161404674622 3    674523 3      C-13-H3C(O)CH3
  232333.9666  0.0156 -5.0681 3  683.2763760  5951614044740 7 1    4739 8 1      C-13-H3C(O)CH3
  232337.6363  0.3230 -6.2994 3 1466.0410B60  595161404724824 1    724725 1      C-13-H3C(O)CH3
  232338.3429  0.6229 -7.0324 3 1749.1860636  595161404795129 3    795030 3      C-13-H3C(O)CH3
  232344.2214  0.0108 -6.3630 3  137.6895360  5951614042216 6 2    221310 2      C-13-H3C(O)CH3
  232352.0343  0.0213 -6.5237 3  228.0033220  5951614042724 4 4    2625 2 4      C-13-H3C(O)CH3
  232359.8235  0.2238 -6.2683 3 1280.5657540  595161404674621 3    674522 3      C-13-H3C(O)CH3
  232365.9643  0.0211 -6.5226 3  228.0324220  5951614042724 3 3    2625 1 3      C-13-H3C(O)CH3
  232378.9625  0.0121 -5.2194 3  109.5178328  5951614042013 7 1    1914 6 1      C-13-H3C(O)CH3
  232394.0995  0.0033 -4.1765 3   41.0902100  5951614041211 2 4    1110 2 4      C-13-H3C(O)CH3
  232394.6906  0.1762 -5.8749 3 1280.4843A80  595161404674621 0    674522 0      C-13-H3C(O)CH3
  232397.4803  0.0311 -5.5704 3  894.4835444  595161404554214 3    554115 3      C-13-H3C(O)CH3
  232422.0368  0.6056 -6.8950 3 1280.5637540  595161404674621 3    674523 3      C-13-H3C(O)CH3
  232430.3710  0.0270 -5.2693 3  894.4528888  595161404554214 2    554115 2      C-13-H3C(O)CH3
  232440.7168  0.1757 -5.8747 3 1280.4825A80  595161404674622 0    674523 0      C-13-H3C(O)CH3
  232449.0064  0.0036 -5.8296 3  269.7055568  59516140435 827 0    35 828 0      C-13-H3C(O)CH3
  232449.0064  0.0036 -4.3825 3  269.7055568  59516140435 927 0    35 828 0      C-13-H3C(O)CH3
  232449.0069  0.0036 -4.3825 3  269.7055568 -59516140435 827 0    35 728 0      C-13-H3C(O)CH3
  232449.0069  0.0036 -5.8296 3  269.7055568 -59516140435 927 0    35 728 0      C-13-H3C(O)CH3
  232450.6923  0.2796 -6.2027 3 1465.9883B60  595161404724825 0    724726 0      C-13-H3C(O)CH3
  232456.9105  0.4509 -6.5620 3 1466.0493580  595161404724825 3    724726 3      C-13-H3C(O)CH3
  232470.6100  0.3819 -6.8908 3 1846.9701D20  595161404824835 2    824736 2      C-13-H3C(O)CH3
  232481.3493  0.4471 -6.8908 3 1846.9705D20  595161404824835 0    824736 0      C-13-H3C(O)CH3
  232485.1526  0.0030 -4.1769 3   41.1684100  5951614041211 1 3    1110 1 3      C-13-H3C(O)CH3
  232496.6349  0.0031 -4.1768 3   41.1623100  5951614041211 2 3    1110 2 3      C-13-H3C(O)CH3
  232497.0529  0.3566 -7.1918 3 1846.9653660  595161404824835 3    824736 3      C-13-H3C(O)CH3
  232497.4272  0.3586 -7.1918 3 1846.9653660  595161404824835 4    824736 4      C-13-H3C(O)CH3
  232498.2472  0.0300 -5.5702 3  894.4885444  595161404554213 3    554114 3      C-13-H3C(O)CH3
  232508.6132  0.4369 -6.8907 3 1846.9657D20  595161404824835 1    824736 1      C-13-H3C(O)CH3
  232516.4695  0.0249 -5.2691 3  894.4450888  595161404554214 1    554114 1      C-13-H3C(O)CH3
  232516.7382  0.1737 -5.8767 3 1280.5327A80  595161404674621 1    674522 1      C-13-H3C(O)CH3
  232520.1018  0.0070 -5.8183 3  225.8135472  595161404291514 2    281811 2      C-13-H3C(O)CH3
  232520.9808  0.3416 -6.5313 3 1466.0701580  595161404724824 4    724725 4      C-13-H3C(O)CH3
  232526.4076  0.0219 -5.2048 3  549.8635664  5951614044139 3 2    4138 4 2      C-13-H3C(O)CH3
  232549.6311  0.1703 -5.8771 3 1280.5267A80  595161404674621 2    674522 2      C-13-H3C(O)CH3
  232557.4632  0.0860 -5.9457 3 1180.6293532  595161404663531 3    663432 3      C-13-H3C(O)CH3
  232557.4685  0.0860 -5.9457 3 1180.6293532  595161404663531 4    663432 4      C-13-H3C(O)CH3
  232582.1498  0.0073 -6.1212 3  225.7991236  595161404291514 3    281811 3      C-13-H3C(O)CH3
  232583.6027  0.0283 -5.5699 3  894.4862444  595161404554213 4    554114 4      C-13-H3C(O)CH3
  232584.5127  0.0054 -5.8910 3  248.5717276  59516140434 727 4    34 628 4      C-13-H3C(O)CH3
  232584.5127  0.0054 -4.7060 3  248.5717276  59516140434 727 4    34 728 4      C-13-H3C(O)CH3
  232584.5127  0.0054 -5.8910 3  248.5717276  59516140434 827 4    34 728 4      C-13-H3C(O)CH3
  232584.5127  0.0054 -4.7060 3  248.5717276  59516140434 827 4    34 628 4      C-13-H3C(O)CH3
  232584.7278  0.0047 -6.5046 3  248.5717276  59516140434 827 3    34 728 3      C-13-H3C(O)CH3
  232584.7278  0.0047 -4.6851 3  248.5717276  59516140434 727 3    34 728 3      C-13-H3C(O)CH3
  232584.7278  0.0047 -4.6851 3  248.5717276  59516140434 827 3    34 628 3      C-13-H3C(O)CH3
  232584.7278  0.0047 -6.5046 3  248.5717276  59516140434 727 3    34 628 3      C-13-H3C(O)CH3
  232588.4663  0.0024 -4.1755 3   41.2407100  5951614041211 1 4    1110 1 4      C-13-H3C(O)CH3
  232590.7888  0.0755 -5.6446 3 1180.6128A64  595161404663531 1    663432 1      C-13-H3C(O)CH3
  232594.4867  0.0069 -5.8170 3  225.8294472  595161404291514 0    281811 0      C-13-H3C(O)CH3
  232601.6199  0.0856 -5.6446 3 1180.6154A64  595161404663531 2    663432 2      C-13-H3C(O)CH3
  232601.8355  0.0248 -5.2688 3  894.4427888  595161404554213 1    554115 1      C-13-H3C(O)CH3
  232610.6418  0.0286 -5.5053 3  549.8267332  5951614044139 3 4    4138 4 4      C-13-H3C(O)CH3
  232611.2861  0.0205 -6.5218 3  228.0143220  5951614042724 4 3    2625 2 3      C-13-H3C(O)CH3
  232612.9943  0.0068 -6.1217 3  225.7982236  595161404291514 4    281811 4      C-13-H3C(O)CH3
  232616.3013  0.0252 -5.2688 3  894.4554888  595161404554213 2    554114 2      C-13-H3C(O)CH3
  232623.3170  0.0835 -5.9455 3 1180.6297532  595161404663631 4    663532 4      C-13-H3C(O)CH3
  232623.3911  0.0833 -5.9455 3 1180.6296532  595161404663631 3    663532 3      C-13-H3C(O)CH3
  232625.8330  0.0240 -6.5207 3  228.0434220  5951614042724 3 4    2625 1 4      C-13-H3C(O)CH3
  232634.6038  0.0235 -5.2687 3  894.4120888  595161404554213 0    554114 0      C-13-H3C(O)CH3
  232634.6177  0.0235 -5.2687 3  894.4120888  595161404554214 0    554115 0      C-13-H3C(O)CH3
  232634.7831  0.0751 -5.6445 3 1180.5989A64  595161404663531 0    663432 0      C-13-H3C(O)CH3
  232638.0627  0.0146 -6.5934 3  137.6977180  5951614042216 6 4    221310 4      C-13-H3C(O)CH3
  232650.9628  0.1720 -6.1760 3 1280.5760540  595161404674621 4    674522 4      C-13-H3C(O)CH3
  232653.9977  0.0755 -5.6444 3 1180.6130A64  595161404663631 1    663532 1      C-13-H3C(O)CH3
  232662.5407  0.0828 -5.6443 3 1180.6157A64  595161404663631 2    663532 2      C-13-H3C(O)CH3
  232664.9779  0.0031 -3.8742 3   41.0924200  5951614041211 2 1    1110 2 1      C-13-H3C(O)CH3
  232668.0150  0.0072 -5.8192 3  225.8147472  595161404291514 1    281811 1      C-13-H3C(O)CH3
  232668.1260  0.0198 -6.8957 3   41.1623100  5951614041211 1 3    1110 2 3      C-13-H3C(O)CH3
  232678.4709  0.0194 -5.2047 3  549.9027664  5951614044139 3 0    4138 3 0      C-13-H3C(O)CH3
  232678.4709  0.0194 -5.2047 3  549.9027664  5951614044139 2 0    4138 4 0      C-13-H3C(O)CH3
  232693.1669  0.0751 -5.6442 3 1180.5991A64  595161404663631 0    663532 0      C-13-H3C(O)CH3
  232695.9696  0.0029 -3.8740 3   41.1012200  5951614041211 2 2    1110 2 2      C-13-H3C(O)CH3
  232699.7636  0.0060 -5.0289 3  119.2983344  5951614042113 9 2    2014 6 2      C-13-H3C(O)CH3
  232710.3323  0.0065 -5.0484 3  119.3007344  5951614042113 9 1    2014 6 1      C-13-H3C(O)CH3
  232715.7327  0.5465 -6.8013 3 1799.1557D04  595161404814635 1    814536 1      C-13-H3C(O)CH3
  232725.0069  0.6624 -7.1023 3 1799.1572652  595161404814635 3    814536 3      C-13-H3C(O)CH3
  232725.0122  0.6611 -7.1023 3 1799.1572652  595161404814635 4    814536 4      C-13-H3C(O)CH3
  232734.5573  0.0443 -5.6233 3  999.4559492  595161404613130 3    613031 3      C-13-H3C(O)CH3
  232734.6006  0.0445 -5.6233 3  999.4559492  595161404613130 4    613031 4      C-13-H3C(O)CH3
  232740.8257  0.0441 -5.6233 3  999.4559492  595161404613230 3    613131 3      C-13-H3C(O)CH3
  232740.8514  0.0443 -5.6233 3  999.4559492  595161404613230 4    613131 4      C-13-H3C(O)CH3
  232742.3211  0.0368 -5.3223 3  999.4431984  595161404613130 1    613031 1      C-13-H3C(O)CH3
  232746.6475  0.0434 -5.3223 3  999.4445984  595161404613130 2    613031 2      C-13-H3C(O)CH3
  232748.1740  0.0368 -5.3223 3  999.4432984  595161404613230 1    613131 1      C-13-H3C(O)CH3
  232752.3222  0.0432 -5.3223 3  999.4445984  595161404613230 2    613131 2      C-13-H3C(O)CH3
  232754.3851  0.0357 -5.3223 3  999.4317984  595161404613130 0    613031 0      C-13-H3C(O)CH3
  232754.7220  0.0039 -5.3223 3  248.5720552 -59516140434 827 2    34 728 2      C-13-H3C(O)CH3
  232754.7220  0.0039 -5.3223 3  248.5720552 -59516140434 727 2    34 628 2      C-13-H3C(O)CH3
  232754.7781  0.0039 -4.4289 3  248.5720552  59516140434 727 2    34 728 2      C-13-H3C(O)CH3
  232754.7781  0.0039 -4.4289 3  248.5720552  59516140434 827 2    34 628 2      C-13-H3C(O)CH3
  232756.8564  0.0026 -3.8737 3   41.1706200  5951614041211 1 1    1110 1 1      C-13-H3C(O)CH3
  232758.2429  0.0042 -5.1025 3  248.5727552  59516140434 827 1    34 628 1      C-13-H3C(O)CH3
  232758.2429  0.0042 -5.1025 3  248.5727552  59516140434 727 1    34 728 1      C-13-H3C(O)CH3
  232758.3895  0.0042 -4.4672 3  248.5727552 -59516140434 727 1    34 628 1      C-13-H3C(O)CH3
  232758.3895  0.0042 -4.4672 3  248.5727552 -59516140434 827 1    34 728 1      C-13-H3C(O)CH3
  232759.6815  0.0357 -5.3223 3  999.4318984  595161404613230 0    613131 0      C-13-H3C(O)CH3
  232762.5426  0.0230 -5.2042 3  549.8658664  5951614044139 3 1    4138 4 1      C-13-H3C(O)CH3
  232791.1974  0.0267 -5.5051 3  549.8865332  5951614044139 2 3    4138 3 3      C-13-H3C(O)CH3
  232799.0240  0.0029 -3.8734 3   41.1733200  5951614041211 1 2    1110 1 2      C-13-H3C(O)CH3
  232808.0969  0.0219 -5.2042 3  549.9036664  5951614044139 2 2    4138 3 2      C-13-H3C(O)CH3
  232818.7952  0.0093 -6.2409 3  358.8732600  595161404371820 1    361917 1      C-13-H3C(O)CH3
  232824.5191  0.0078 -7.1585 3  135.0292180  5951614042215 7 4    221211 4      C-13-H3C(O)CH3
  232828.1679  0.6279 -6.9042 3 1466.0246B60  595161404724824 1    724726 1      C-13-H3C(O)CH3
  232834.0393  0.0097 -6.5413 3  358.8440300  595161404371820 4    361917 4      C-13-H3C(O)CH3
  232835.6366  0.0099 -6.5413 3  358.8440300  595161404371820 3    361917 3      C-13-H3C(O)CH3
  232846.7836  0.0127 -4.9825 3  799.0236888  595161404552629 0    552530 0      C-13-H3C(O)CH3
  232846.9128  0.0127 -4.9825 3  799.0236888  595161404552729 0    552630 0      C-13-H3C(O)CH3
  232849.3246  0.5575 -6.8009 3 1799.1606D04  595161404814635 0    814536 0      C-13-H3C(O)CH3
  232858.1753  0.6990 -6.8009 3 1799.1621D04  595161404814635 2    814536 2      C-13-H3C(O)CH3
  232860.8227  0.0166 -5.8543 3  206.2265424  5951614042622 5 0    2523 2 0      C-13-H3C(O)CH3
  232860.8480  0.0166 -5.8543 3  206.2265424  5951614042622 4 0    2523 3 0      C-13-H3C(O)CH3
  232871.5562  0.0235 -5.4432 3  784.8045412  595161404514111 3    514012 3      C-13-H3C(O)CH3
  232874.0193  0.0140 -4.9823 3  799.0234888  595161404552629 1    552530 1      C-13-H3C(O)CH3
  232874.1657  0.0140 -4.9823 3  799.0234888  595161404552729 1    552630 1      C-13-H3C(O)CH3
  232874.4062  0.0185 -4.9823 3  799.0234888  595161404552629 2    552530 2      C-13-H3C(O)CH3
  232874.5502  0.0185 -4.9823 3  799.0234888  595161404552729 2    552630 2      C-13-H3C(O)CH3
  232883.3076  0.0258 -5.4433 3  784.8192412  595161404514110 4    514011 4      C-13-H3C(O)CH3
  232891.4163  0.0268 -5.5048 3  549.8667332  5951614044139 3 3    4138 4 3      C-13-H3C(O)CH3
  232894.6953  0.0079 -6.2387 3  358.8960600  595161404371820 0    361917 0      C-13-H3C(O)CH3
  232899.5544  0.0036 -4.9813 3  119.2844344  5951614042113 9 0    2014 6 0      C-13-H3C(O)CH3
  232901.6939  0.0190 -5.2832 3  799.0232444  595161404552629 3    552530 3      C-13-H3C(O)CH3
  232901.7955  0.0192 -5.2832 3  799.0232444  595161404552629 4    552530 4      C-13-H3C(O)CH3
  232901.8569  0.0190 -5.2832 3  799.0232444  595161404552729 3    552630 3      C-13-H3C(O)CH3
  232901.9575  0.0192 -5.2832 3  799.0232444  595161404552729 4    552630 4      C-13-H3C(O)CH3
  232906.0242  0.0193 -5.1422 3  784.7909824  595161404514110 2    514011 2      C-13-H3C(O)CH3
  232907.1843  0.7636 -7.1446 3 1466.0093B60  595161404724824 2    724726 2      C-13-H3C(O)CH3
  232911.7374  0.0094 -6.2380 3  358.8668600  595161404371820 2    361917 2      C-13-H3C(O)CH3
  232927.9704  0.0038 -4.7821 3  248.5730552  59516140434 827 0    34 628 0      C-13-H3C(O)CH3
  232927.9704  0.0038 -4.7821 3  248.5730552  59516140434 727 0    34 728 0      C-13-H3C(O)CH3
  232927.9921  0.0038 -4.5923 3  248.5730552 -59516140434 727 0    34 628 0      C-13-H3C(O)CH3
  232927.9921  0.0038 -4.5923 3  248.5730552 -59516140434 827 0    34 728 0      C-13-H3C(O)CH3
  232944.5535  0.0218 -5.2040 3  549.9257664  5951614044139 2 1    4138 3 1      C-13-H3C(O)CH3
  232945.7714  0.0223 -5.4430 3  784.8014412  595161404514111 4    514012 4      C-13-H3C(O)CH3
  232957.6281  0.0236 -5.4431 3  784.8163412  595161404514110 3    514011 3      C-13-H3C(O)CH3
  232959.2557  0.0027 -3.8727 3   41.1036200 -5951614041211 2 0    1110 1 0      C-13-H3C(O)CH3
  232960.3550  0.0061 -5.8029 3  228.0460268  59516140433 727 4    33 628 4      C-13-H3C(O)CH3
  232960.3550  0.0061 -4.7329 3  228.0460268  59516140433 627 4    33 628 4      C-13-H3C(O)CH3
  232960.3550  0.0061 -4.7329 3  228.0460268  59516140433 727 4    33 528 4      C-13-H3C(O)CH3
  232960.3550  0.0061 -5.8029 3  228.0460268  59516140433 627 4    33 528 4      C-13-H3C(O)CH3
  232960.5234  0.0054 -4.9594 3  228.0459268  59516140433 727 3    33 628 3      C-13-H3C(O)CH3
  232960.5234  0.0054 -5.0414 3  228.0459268  59516140433 727 3    33 528 3      C-13-H3C(O)CH3
  232960.5234  0.0054 -4.9594 3  228.0459268  59516140433 627 3    33 528 3      C-13-H3C(O)CH3
  232960.5234  0.0054 -5.0414 3  228.0459268  59516140433 627 3    33 628 3      C-13-H3C(O)CH3
  232974.1735  0.0027 -3.8726 3   41.1032200  5951614041211 1 0    1110 2 0      C-13-H3C(O)CH3
  232979.4762  0.0183 -5.1419 3  784.7879824  595161404514111 2    514012 2      C-13-H3C(O)CH3
  232987.0092  0.0022 -4.1827 3   88.5445180  59516140422 220 3    21 319 3      C-13-H3C(O)CH3
  232987.0092  0.0022 -4.3757 3   88.5445180  59516140422 320 3    21 319 3      C-13-H3C(O)CH3
  232987.0388  0.0022 -4.3757 3   88.5445180 -59516140422 220 3    21 219 3      C-13-H3C(O)CH3
  232987.0388  0.0022 -4.6794 3   88.5445180 -59516140422 220 4    21 319 4      C-13-H3C(O)CH3
  232987.0388  0.0022 -4.1827 3   88.5445180 -59516140422 320 3    21 219 3      C-13-H3C(O)CH3
  232987.0388  0.0022 -4.0613 3   88.5445180 -59516140422 320 4    21 319 4      C-13-H3C(O)CH3
  232987.0484  0.0022 -4.0613 3   88.5445180  59516140422 220 4    21 219 4      C-13-H3C(O)CH3
  232987.0484  0.0022 -4.6794 3   88.5445180  59516140422 320 4    21 219 4      C-13-H3C(O)CH3
  233010.6004  0.0082 -6.0514 3  127.0531344  5951614042116 6 0    2113 9 0      C-13-H3C(O)CH3
  233017.4435  0.0050 -4.6194 3  561.0872760  595161404471928 0    471829 0      C-13-H3C(O)CH3
  233017.4436  0.0050 -4.6194 3  561.0872760  595161404472028 0    471929 0      C-13-H3C(O)CH3
  233020.8290  0.0023 -3.6691 3   88.4938360  59516140422 220 1    21 219 1      C-13-H3C(O)CH3
  233020.8290  0.0023 -4.7277 3   88.4938360  59516140422 320 1    21 219 1      C-13-H3C(O)CH3
  233020.9143  0.0023 -5.8576 3   88.4938360 -59516140422 220 1    21 319 1      C-13-H3C(O)CH3
  233020.9143  0.0022 -3.7453 3   88.4932360 -59516140422 220 2    21 319 2      C-13-H3C(O)CH3
  233020.9143  0.0023 -3.7058 3   88.4938360 -59516140422 320 1    21 319 1      C-13-H3C(O)CH3
  233020.9143  0.0022 -3.7527 3   88.4932360 -59516140422 320 2    21 319 2      C-13-H3C(O)CH3
  233021.0157  0.0022 -4.4458 3   88.4932360  59516140422 220 2    21 219 2      C-13-H3C(O)CH3
  233021.0157  0.0022 -4.4105 3   88.4932360  59516140422 320 2    21 219 2      C-13-H3C(O)CH3
  233032.6202  0.0182 -5.1418 3  784.7728824  595161404514111 1    514012 1      C-13-H3C(O)CH3
  233045.0587  0.0196 -5.1419 3  784.7876824  595161404514110 1    514011 1      C-13-H3C(O)CH3
  233054.7431  0.0020 -4.6586 3   88.4427360 -59516140422 220 0    21 219 0      C-13-H3C(O)CH3
  233054.7431  0.0020 -3.7128 3   88.4427360 -59516140422 220 0    21 319 0      C-13-H3C(O)CH3
  233054.7431  0.0020 -4.6586 3   88.4427360 -59516140422 320 0    21 319 0      C-13-H3C(O)CH3
  233054.7431  0.0020 -3.7128 3   88.4427360 -59516140422 320 0    21 219 0      C-13-H3C(O)CH3
  233060.3985  0.0063 -4.6191 3  561.0641760  595161404471928 2    471829 2      C-13-H3C(O)CH3
  233060.3987  0.0063 -4.6191 3  561.0641760  595161404472028 2    471929 2      C-13-H3C(O)CH3
  233063.4564  0.0055 -4.6191 3  561.0652760  595161404471928 1    471829 1      C-13-H3C(O)CH3
  233063.4566  0.0055 -4.6191 3  561.0652760  595161404472028 1    471929 1      C-13-H3C(O)CH3
  233063.8398  0.0047 -5.1740 3   28.1184 92  59516140411 6 5 3    10 5 6 3      C-13-H3C(O)CH3
  233064.7949  0.0150 -5.5099 3  121.9057172  5951614042114 7 4    2015 5 4      C-13-H3C(O)CH3
  233066.6983  0.0171 -5.1418 3  784.7593824  595161404514110 0    514011 0      C-13-H3C(O)CH3
  233066.6985  0.0171 -5.1418 3  784.7593824  595161404514111 0    514012 0      C-13-H3C(O)CH3
  233074.4345  0.0284 -5.5046 3  549.9265332  5951614044139 2 4    4138 3 4      C-13-H3C(O)CH3
  233082.5558  0.0042 -5.2874 3  119.2962172  5951614042113 9 3    2014 6 3      C-13-H3C(O)CH3
  233106.3006  0.0063 -5.1743 3   28.1183 92  59516140411 6 5 4    10 5 6 4      C-13-H3C(O)CH3
  233106.4875  0.0065 -4.9199 3  561.0420380  595161404471928 3    471829 3      C-13-H3C(O)CH3
  233106.4877  0.0065 -4.9199 3  561.0420380  595161404472028 3    471929 3      C-13-H3C(O)CH3
  233106.5389  0.0065 -4.9199 3  561.0420380  595161404471928 4    471829 4      C-13-H3C(O)CH3
  233106.5391  0.0065 -4.9199 3  561.0420380  595161404472028 4    471929 4      C-13-H3C(O)CH3
  233109.6603  0.0162 -5.8539 3  206.1515424  5951614042622 5 1    2523 3 1      C-13-H3C(O)CH3
  233119.8442  0.0053 -4.8712 3   28.0599184  59516140411 6 5 2    10 5 6 2      C-13-H3C(O)CH3
  233144.0876  0.0220 -6.0816 3  134.8659180  5951614042215 8 4    2116 5 4      C-13-H3C(O)CH3
  233166.4510  0.0045 -4.3993 3  228.0378536 -59516140433 627 2    33 628 2      C-13-H3C(O)CH3
  233166.4510  0.0045 -4.3993 3  228.0378536 -59516140433 727 2    33 528 2      C-13-H3C(O)CH3
  233166.4515  0.0045 -6.4399 3  228.0378536  59516140433 627 2    33 528 2      C-13-H3C(O)CH3
  233166.4515  0.0045 -6.4399 3  228.0378536  59516140433 727 2    33 628 2      C-13-H3C(O)CH3
  233169.4958  0.0049 -5.6888 3  228.0384536 -59516140433 727 1    33 628 1      C-13-H3C(O)CH3
  233169.4958  0.0049 -5.6888 3  228.0384536 -59516140433 627 1    33 528 1      C-13-H3C(O)CH3
  233169.4978  0.0049 -4.4182 3  228.0384536  59516140433 627 1    33 628 1      C-13-H3C(O)CH3
  233169.4978  0.0049 -4.4182 3  228.0384536  59516140433 727 1    33 528 1      C-13-H3C(O)CH3
  233178.1764  0.0152 -5.8521 3  206.1992424  5951614042622 4 2    2523 2 2      C-13-H3C(O)CH3
  233204.3569  0.0051 -4.8717 3   28.0608184  59516140411 6 5 1    10 5 6 1      C-13-H3C(O)CH3
  233239.9789  0.0049 -4.8698 3   28.0025184 -59516140411 6 5 0    10 5 6 0      C-13-H3C(O)CH3
  233266.3730  0.0162 -5.8524 3  206.1807424  5951614042622 4 1    2523 2 1      C-13-H3C(O)CH3
  233286.5229  0.0166 -5.8525 3  206.1590424  5951614042622 5 2    2523 3 2      C-13-H3C(O)CH3
  233296.9259  0.0123 -6.3938 3  127.0631344  5951614042116 5 1    2113 9 1      C-13-H3C(O)CH3
  233301.0382  0.0071 -5.1019 3  208.1135260  59516140432 527 4    32 528 4      C-13-H3C(O)CH3
  233301.0382  0.0071 -4.9695 3  208.1135260  59516140432 627 4    32 528 4      C-13-H3C(O)CH3
  233301.0382  0.0071 -5.1019 3  208.1135260  59516140432 627 4    32 428 4      C-13-H3C(O)CH3
  233301.0382  0.0071 -4.9695 3  208.1135260  59516140432 527 4    32 428 4      C-13-H3C(O)CH3
  233301.1321  0.0063 -4.7607 3  208.1135260  59516140432 627 3    32 428 3      C-13-H3C(O)CH3
  233301.1321  0.0063 -4.7607 3  208.1135260  59516140432 527 3    32 528 3      C-13-H3C(O)CH3
  233301.1321  0.0063 -5.8911 3  208.1135260  59516140432 527 3    32 428 3      C-13-H3C(O)CH3
  233301.1321  0.0063 -5.8911 3  208.1135260  59516140432 627 3    32 528 3      C-13-H3C(O)CH3
  233304.5009  0.1037 -5.9996 3 1177.0345516  595161404644520 4    644421 4      C-13-H3C(O)CH3
  233309.6670  0.0057 -7.0895 3   55.4134124  59516140415 7 8 3    15 411 3      C-13-H3C(O)CH3
  233316.0802  0.0079 -7.0894 3   55.4134124  59516140415 7 8 4    15 411 4      C-13-H3C(O)CH3
  233320.0154  0.0474 -5.6957 3  984.0218468  595161404584316 4    584217 4      C-13-H3C(O)CH3
  233336.9801  0.0117 -5.9246 3  228.9119472  595161404291613 2    281910 2      C-13-H3C(O)CH3
  233370.6109  0.0112 -5.3065 3  121.8791344  5951614042114 7 2    2015 5 2      C-13-H3C(O)CH3
  233375.1318  0.0043 -4.3945 3  228.0302536 -59516140433 727 0    33 628 0      C-13-H3C(O)CH3
  233375.1318  0.0043 -4.3945 3  228.0302536 -59516140433 627 0    33 528 0      C-13-H3C(O)CH3
  233383.2212  0.0106 -5.9185 3  228.9296472  595161404291613 0    281910 0      C-13-H3C(O)CH3
  233409.0941  0.2475 -6.5250 3 1496.2121596  595161404744133 3    744034 3      C-13-H3C(O)CH3
  233409.0947  0.2471 -6.5250 3 1496.2121596  595161404744133 4    744034 4      C-13-H3C(O)CH3
  233423.5439  0.0169 -6.1527 3  206.1242212  5951614042622 4 3    2523 2 3      C-13-H3C(O)CH3
  233451.8213  0.2108 -6.2238 3 1496.2009B92  595161404744133 1    744034 1      C-13-H3C(O)CH3
  233460.8910  0.0122 -6.3931 3  127.0603344  5951614042116 5 2    2113 9 2      C-13-H3C(O)CH3
  233470.9410  0.0190 -7.1418 3  246.4085244  595161404301713 4    2920 9 4      C-13-H3C(O)CH3
  233473.3717  0.0429 -5.6952 3  984.0271468  595161404584316 3    584217 3      C-13-H3C(O)CH3
  233486.2951  0.1193 -5.6981 3 1176.9955A32  595161404644520 1    644421 1      C-13-H3C(O)CH3
  233489.0886  0.0332 -7.1924 3  339.4542568  595161404352114 2    342410 2      C-13-H3C(O)CH3
  233493.7016  0.0408 -5.3941 3  983.9866936  595161404584316 2    584217 2      C-13-H3C(O)CH3
  233495.0727  0.0462 -7.1586 3  486.7019680  595161404422518 2    412813 2      C-13-H3C(O)CH3
  233497.2125  0.2516 -6.2237 3 1496.2056B92  595161404744133 2    744034 2      C-13-H3C(O)CH3
  233501.1576  0.0174 -5.5972 3  109.4959164  5951614042013 7 4    1914 6 4      C-13-H3C(O)CH3
  233518.2866  0.0092 -6.0905 3  304.4903552  595161404341718 1    331815 1      C-13-H3C(O)CH3
  233525.9705  0.0113 -5.2779 3  121.8783344  5951614042114 7 1    2015 5 1      C-13-H3C(O)CH3
  233530.9671  0.0171 -6.1531 3  206.0841212  5951614042622 5 4    2523 3 4      C-13-H3C(O)CH3
  233533.9936  0.0394 -5.3940 3  983.9787936  595161404584316 1    584217 1      C-13-H3C(O)CH3
  233536.4134  0.0261 -5.3342 3  530.6495648  5951614044039 2 2    4038 3 2      C-13-H3C(O)CH3
  233539.6631  0.2122 -6.2235 3 1496.1944B92  595161404744133 0    744034 0      C-13-H3C(O)CH3
  233541.6884  0.0098 -6.3911 3  304.4630276  595161404341718 4    331815 4      C-13-H3C(O)CH3
  233544.7990  0.1069 -5.6979 3 1176.9968A32  595161404644520 2    644421 2      C-13-H3C(O)CH3
  233545.6853  0.0058 -5.2144 3  208.0955520 -59516140432 627 2    32 528 2      C-13-H3C(O)CH3
  233545.6853  0.0058 -5.2144 3  208.0955520 -59516140432 527 2    32 428 2      C-13-H3C(O)CH3
  233545.7226  0.0058 -4.5048 3  208.0955520  59516140432 527 2    32 528 2      C-13-H3C(O)CH3
  233545.7226  0.0058 -4.5048 3  208.0955520  59516140432 627 2    32 428 2      C-13-H3C(O)CH3
  233546.5569  0.0104 -6.3911 3  304.4628276  595161404341718 3    331815 3      C-13-H3C(O)CH3
  233548.2498  0.0062 -4.5792 3  208.0961520 -59516140432 527 1    32 428 1      C-13-H3C(O)CH3
  233548.2498  0.0062 -4.5792 3  208.0961520 -59516140432 627 1    32 528 1      C-13-H3C(O)CH3
  233548.2897  0.0062 -4.9579 3  208.0961520  59516140432 527 1    32 528 1      C-13-H3C(O)CH3
  233548.2897  0.0062 -4.9579 3  208.0961520  59516140432 627 1    32 428 1      C-13-H3C(O)CH3
  233548.4012  0.0063 -6.7833 3   55.3656248  59516140415 7 8 2    15 411 2      C-13-H3C(O)CH3
  233559.3594  0.0389 -5.6951 3  984.0282468  595161404584315 3    584216 3      C-13-H3C(O)CH3
  233581.5547  0.0193 -6.1512 3  206.1534212  5951614042622 4 4    2523 2 4      C-13-H3C(O)CH3
  233589.7794  0.0908 -5.9999 3 1177.0470516  595161404644519 3    644420 3      C-13-H3C(O)CH3
  233592.1405  0.0980 -5.9999 3 1177.0444516  595161404644520 3    644421 3      C-13-H3C(O)CH3
  233602.0477  0.0062 -6.7846 3   55.3664248  59516140415 7 8 1    15 411 1      C-13-H3C(O)CH3
  233608.7977  0.0075 -4.9881 3  188.7753252  59516140431 427 3    31 328 3      C-13-H3C(O)CH3
  233608.7977  0.0075 -5.2011 3  188.7753252  59516140431 427 3    31 428 3      C-13-H3C(O)CH3
  233608.7977  0.0075 -4.7821 3  188.7753252  59516140431 527 3    31 428 3      C-13-H3C(O)CH3
  233608.8111  0.0083 -4.7858 3  188.7754252  59516140431 427 4    31 428 4      C-13-H3C(O)CH3
  233608.8111  0.0083 -6.7083 3  188.7754252  59516140431 427 4    31 328 4      C-13-H3C(O)CH3
  233608.8111  0.0083 -6.7083 3  188.7754252  59516140431 527 4    31 428 4      C-13-H3C(O)CH3
  233608.8111  0.0083 -4.7858 3  188.7754252  59516140431 527 4    31 328 4      C-13-H3C(O)CH3
  233624.2813  0.0153 -5.0730 3  661.0478744  5951614044640 7 2    4639 8 2      C-13-H3C(O)CH3
  233633.4163  0.0208 -5.3738 3  661.0360372  5951614044640 7 4    4639 8 4      C-13-H3C(O)CH3
  233648.7130  0.0333 -5.6347 3  530.6085324  5951614044039 2 4    4038 3 4      C-13-H3C(O)CH3
  233650.2046  0.0075 -6.0876 3  304.5087552  595161404341718 0    331815 0      C-13-H3C(O)CH3
  233676.4115  0.0228 -5.3342 3  530.6977648  5951614044039 2 0    4038 3 0      C-13-H3C(O)CH3
  233676.4115  0.0228 -5.3342 3  530.6977648  5951614044039 1 0    4038 2 0      C-13-H3C(O)CH3
  233678.3583  0.0090 -6.0871 3  304.4812552  595161404341718 2    331815 2      C-13-H3C(O)CH3
  233678.3711  0.2814 -6.8458 3 1667.2247628  595161404784534 4    784435 4      C-13-H3C(O)CH3
  233678.4065  0.2803 -6.8458 3 1667.2247628  595161404784534 3    784435 3      C-13-H3C(O)CH3
  233679.2007  0.0141 -6.2240 3  228.8915236  595161404291613 3    281910 3      C-13-H3C(O)CH3
  233685.7263  0.0679 -5.8390 3 1078.1982492  595161404614418 4    614319 4      C-13-H3C(O)CH3
  233686.8564  0.0439 -5.3936 3  983.9840936  595161404584315 1    584216 1      C-13-H3C(O)CH3
  233688.2590  0.0162 -6.1516 3  206.1132212  5951614042622 5 3    2523 3 3      C-13-H3C(O)CH3
  233692.3601  0.1430 -6.2225 3 1333.9993564  595161404703832 4    703733 4      C-13-H3C(O)CH3
  233692.3632  0.1431 -6.2225 3 1333.9993564  595161404703832 3    703733 3      C-13-H3C(O)CH3
  233692.3725  0.0152 -7.0354 3  246.4232488  595161404301713 1    2920 9 1      C-13-H3C(O)CH3
  233694.4818  0.7898 -7.0619 3 1935.9776D52  595161404844836 1    844737 1      C-13-H3C(O)CH3
  233698.1886  0.2843 -6.5447 3 1667.2239C56  595161404784534 2    784435 2      C-13-H3C(O)CH3
  233698.5471  1.0989 -7.2001 3 1545.4018B92  595161404744926 2    744826 2      C-13-H3C(O)CH3
  233698.8542  0.2976 -6.5447 3 1667.2191C56  595161404784534 1    784435 1      C-13-H3C(O)CH3
  233707.0802  0.0414 -5.3935 3  983.9435936  595161404584315 0    584216 0      C-13-H3C(O)CH3
  233707.2157  0.0414 -5.3935 3  983.9435936  595161404584316 0    584217 0      C-13-H3C(O)CH3
  233711.8906  0.0409 -5.6946 3  984.0334468  595161404584315 4    584216 4      C-13-H3C(O)CH3
  233718.4047  0.2995 -6.5446 3 1667.2183C56  595161404784534 0    784435 0      C-13-H3C(O)CH3
  233722.6694  0.1197 -5.6973 3 1176.9581A32  595161404644519 0    644420 0      C-13-H3C(O)CH3
  233724.1562  0.0172 -6.7033 3  127.0697172  5951614042116 5 4    2113 9 4      C-13-H3C(O)CH3
  233729.3088  0.0150 -5.0728 3  661.0650744  5951614044640 6 2    4639 7 2      C-13-H3C(O)CH3
  233730.3368  0.1197 -5.6973 3 1176.9578A32  595161404644520 0    644421 0      C-13-H3C(O)CH3
  233732.3699  0.0397 -5.3935 3  983.9929936  595161404584315 2    584216 2      C-13-H3C(O)CH3
  233735.8836  0.1259 -5.9213 3 1333.9839B28  595161404703832 1    703733 1      C-13-H3C(O)CH3
  233737.2388  0.0198 -5.3736 3  661.0532372  5951614044640 7 3    4639 8 3      C-13-H3C(O)CH3
  233746.7437  0.7972 -6.9522 3 1545.4161B92  595161404744926 1    744826 1      C-13-H3C(O)CH3
  233747.2640  0.0184 -5.3737 3  661.0720372  5951614044640 6 3    4639 7 3      C-13-H3C(O)CH3
  233757.2695  0.1438 -5.9213 3 1333.9876B28  595161404703832 2    703733 2      C-13-H3C(O)CH3
  233768.2371  0.0028 -4.4687 3   64.9730132 -59516140416 9 8 4    15 8 7 4      C-13-H3C(O)CH3
  233770.0052  0.0143 -5.0728 3  661.0492744  5951614044640 6 0    4639 8 0      C-13-H3C(O)CH3
  233770.0052  0.0143 -5.0728 3  661.0492744  5951614044640 7 0    4639 7 0      C-13-H3C(O)CH3
  233771.6437  0.1188 -5.6973 3 1177.0081A32  595161404644519 1    644420 1      C-13-H3C(O)CH3
  233774.0158  0.0034 -5.5287 3   20.3029 84  59516140410 4 6 3     9 3 7 3      C-13-H3C(O)CH3
  233778.3370  0.0045 -5.5287 3   20.3029 84  59516140410 4 6 4     9 3 7 4      C-13-H3C(O)CH3
  233778.7636  0.0166 -5.0726 3  661.0374744  5951614044640 7 1    4639 8 1      C-13-H3C(O)CH3
  233788.6442  0.0272 -5.3337 3  530.6566648  5951614044039 2 1    4038 3 1      C-13-H3C(O)CH3
  233792.3743  0.0054 -4.7793 3  208.0782520  59516140432 527 0    32 528 0      C-13-H3C(O)CH3
  233792.3743  0.0054 -4.7793 3  208.0782520  59516140432 627 0    32 428 0      C-13-H3C(O)CH3
  233792.3764  0.0054 -4.6808 3  208.0782520 -59516140432 527 0    32 428 0      C-13-H3C(O)CH3
  233792.3764  0.0054 -4.6808 3  208.0782520 -59516140432 627 0    32 528 0      C-13-H3C(O)CH3
  233800.5218  0.1261 -5.9211 3 1333.9723B28  595161404703832 0    703733 0      C-13-H3C(O)CH3
  233803.2974  0.0254 -7.0548 3  511.9938696  595161404432618 0    422913 0      C-13-H3C(O)CH3
  233805.6958  0.0037 -4.4686 3   64.9720132 -59516140416 9 8 3    15 8 7 3      C-13-H3C(O)CH3
  233820.4545  0.0126 -5.9333 3  228.9062472  595161404291613 1    281910 1      C-13-H3C(O)CH3
  233831.9680  0.1072 -5.6972 3 1177.0068A32  595161404644519 2    644420 2      C-13-H3C(O)CH3
  233834.8130  0.0325 -5.6345 3  530.6743324  5951614044039 1 3    4038 2 3      C-13-H3C(O)CH3
  233837.3220  0.0060 -6.7793 3   55.3188248  59516140415 7 8 0    15 411 0      C-13-H3C(O)CH3
  233837.4217  0.8083 -7.0614 3 1935.9867D52  595161404844836 0    844737 0      C-13-H3C(O)CH3
  233848.1290  0.0299 -6.7708 3  339.4422568  595161404352114 2    342411 2      C-13-H3C(O)CH3
  233852.2086  0.0186 -5.3735 3  661.0891372  5951614044640 6 4    4639 7 4      C-13-H3C(O)CH3
  233859.1647  0.0272 -5.3337 3  530.6969648  5951614044039 1 2    4038 2 2      C-13-H3C(O)CH3
  233876.6156  0.1030 -5.9981 3 1177.0570516  595161404644519 4    644420 4      C-13-H3C(O)CH3
  233876.6830  0.0167 -6.2523 3  228.8853236  595161404291613 4    281910 4      C-13-H3C(O)CH3
  233885.6571  0.0089 -5.3103 3  170.0325244  59516140430 427 3    30 228 3      C-13-H3C(O)CH3
  233885.6571  0.0089 -5.0511 3  170.0325244  59516140430 327 3    30 228 3      C-13-H3C(O)CH3
  233885.6571  0.0089 -5.3103 3  170.0325244  59516140430 327 3    30 328 3      C-13-H3C(O)CH3
  233885.6571  0.0089 -5.0511 3  170.0325244  59516140430 427 3    30 328 3      C-13-H3C(O)CH3
  233885.8158  0.0098 -6.0841 3  170.0326244  59516140430 327 4    30 228 4      C-13-H3C(O)CH3
  233885.8158  0.0098 -6.0841 3  170.0326244  59516140430 427 4    30 328 4      C-13-H3C(O)CH3
  233885.8158  0.0098 -4.8873 3  170.0326244  59516140430 427 4    30 228 4      C-13-H3C(O)CH3
  233885.8158  0.0098 -4.8873 3  170.0326244  59516140430 327 4    30 328 4      C-13-H3C(O)CH3
  233890.5207  1.0194 -7.0613 3 1935.9843D52  595161404844836 2    844737 2      C-13-H3C(O)CH3
  233891.5077  0.0700 -5.5373 3 1078.1557984  595161404614418 1    614319 1      C-13-H3C(O)CH3
  233893.8372  0.0147 -5.0725 3  661.0734744  5951614044640 6 1    4639 7 1      C-13-H3C(O)CH3
  233894.7391  0.0077 -4.5020 3  188.7463504  59516140431 527 2    31 328 2      C-13-H3C(O)CH3
  233894.7391  0.0077 -4.5020 3  188.7463504  59516140431 427 2    31 428 2      C-13-H3C(O)CH3
  233894.7491  0.0077 -5.7500 3  188.7463504 -59516140431 527 2    31 428 2      C-13-H3C(O)CH3
  233894.7491  0.0077 -5.7500 3  188.7463504 -59516140431 427 2    31 328 2      C-13-H3C(O)CH3
  233896.6681  0.0082 -4.6912 3  188.7468504 -59516140431 527 1    31 428 1      C-13-H3C(O)CH3
  233896.6681  0.0082 -4.6912 3  188.7468504 -59516140431 427 1    31 328 1      C-13-H3C(O)CH3
  233896.7691  0.0082 -4.8900 3  188.7468504  59516140431 427 1    31 428 1      C-13-H3C(O)CH3
  233896.7691  0.0082 -4.8900 3  188.7468504  59516140431 527 1    31 328 1      C-13-H3C(O)CH3
  233901.2673  0.0665 -5.5373 3 1078.1614984  595161404614418 2    614319 2      C-13-H3C(O)CH3
  233906.4036  0.0612 -5.8388 3 1078.2085492  595161404614418 3    614318 3      C-13-H3C(O)CH3
  233933.8945  0.8926 -6.9092 3 1835.8388D04  595161404815230 2    815131 2      C-13-H3C(O)CH3
  233943.2438  0.1313 -6.2216 3 1334.0007564  595161404703932 4    703833 4      C-13-H3C(O)CH3
  233943.3829  0.1311 -6.2216 3 1334.0006564  595161404703932 3    703833 3      C-13-H3C(O)CH3
  233952.4809  0.0165 -6.9184 3  641.1496808  595161404502129 1    492426 1      C-13-H3C(O)CH3
  233952.9001  0.0165 -6.9184 3  641.1496808  595161404502229 1    492326 1      C-13-H3C(O)CH3
  233959.4140  0.0575 -5.8386 3 1078.2068492  595161404614417 3    614319 3      C-13-H3C(O)CH3
  233960.3256  0.0031 -4.1675 3   64.9353264 -59516140416 9 8 1    15 8 7 1      C-13-H3C(O)CH3
  233966.2082  0.0188 -6.9170 3  641.1483808  595161404502129 2    492426 2      C-13-H3C(O)CH3
  233966.6334  0.0188 -6.9170 3  641.1482808  595161404502229 2    492326 2      C-13-H3C(O)CH3
  233970.8327  0.0329 -5.6342 3  530.6558324  5951614044039 2 3    4038 3 3      C-13-H3C(O)CH3
  233976.1138  0.0264 -5.3335 3  530.7226648  5951614044039 1 1    4038 2 1      C-13-H3C(O)CH3
  233976.7544  0.0043 -5.2263 3   20.2372168  59516140410 4 6 2     9 3 7 2      C-13-H3C(O)CH3
  233980.6108  0.1243 -5.9205 3 1333.9852B28  595161404703932 1    703833 1      C-13-H3C(O)CH3
  233992.2954  0.0132 -6.9182 3  641.1619808  595161404502129 0    492426 0      C-13-H3C(O)CH3
  233992.3681  0.1313 -5.9204 3 1333.9888B28  595161404703932 2    703833 2      C-13-H3C(O)CH3
  233992.6798  0.0132 -6.9182 3  641.1619808  595161404502229 0    492326 0      C-13-H3C(O)CH3
  233995.9838  0.0042 -5.2265 3   20.2378168  59516140410 4 6 1     9 3 7 1      C-13-H3C(O)CH3
  234015.8504  0.0046 -4.5795 3  532.9408744  595161404461828 0    461729 0      C-13-H3C(O)CH3
  234015.8505  0.0046 -4.5795 3  532.9408744  595161404461928 0    461829 0      C-13-H3C(O)CH3
  234029.6437  0.1245 -5.9203 3 1333.9735B28  595161404703932 0    703833 0      C-13-H3C(O)CH3
  234046.5711  0.0035 -4.1678 3   64.9301264 -59516140416 9 8 2    15 8 7 2      C-13-H3C(O)CH3
  234054.9540  0.0057 -4.5792 3  532.9153744  595161404461828 2    461729 2      C-13-H3C(O)CH3
  234054.9541  0.0057 -4.5792 3  532.9153744  595161404461928 2    461829 2      C-13-H3C(O)CH3
  234055.0443  0.5148 -6.8823 3 1835.8421D04  595161404815230 0    815131 0      C-13-H3C(O)CH3
  234058.2705  0.0052 -4.5791 3  532.9165744  595161404461828 1    461729 1      C-13-H3C(O)CH3
  234058.2705  0.0052 -4.5791 3  532.9165744  595161404461928 1    461829 1      C-13-H3C(O)CH3
  234063.9092  0.0081 -5.0234 3  121.8481344  5951614042114 7 0    2015 6 0      C-13-H3C(O)CH3
  234074.9869  0.0026 -3.9231 3   90.4958188  59516140423 122 3    22 221 3      C-13-H3C(O)CH3
  234074.9869  0.0026 -6.0424 3   90.4958188  59516140423 222 3    22 221 3      C-13-H3C(O)CH3
  234075.0129  0.0026 -4.9775 3   90.4958188  59516140423 122 4    22 221 4      C-13-H3C(O)CH3
  234075.0129  0.0026 -4.9775 3   90.4958188  59516140423 222 4    22 121 4      C-13-H3C(O)CH3
  234075.0166  0.0026 -6.0424 3   90.4958188 -59516140423 122 3    22 121 3      C-13-H3C(O)CH3
  234075.0166  0.0026 -3.9596 3   90.4958188 -59516140423 222 4    22 221 4      C-13-H3C(O)CH3
  234075.0166  0.0026 -3.9596 3   90.4958188 -59516140423 122 4    22 121 4      C-13-H3C(O)CH3
  234075.0166  0.0026 -3.9231 3   90.4958188 -59516140423 222 3    22 121 3      C-13-H3C(O)CH3
  234086.0167  0.7239 -7.1896 3 1835.8580652  595161404815230 3    815131 3      C-13-H3C(O)CH3
  234096.0142  0.0028 -4.2809 3   90.4364376  59516140423 122 1    22 121 1      C-13-H3C(O)CH3
  234096.0142  0.0028 -4.2809 3   90.4364376  59516140423 222 1    22 221 1      C-13-H3C(O)CH3
  234096.0780  0.0027 -4.5381 3   90.4360376 -59516140423 222 2    22 121 2      C-13-H3C(O)CH3
  234096.0780  0.0028 -3.7252 3   90.4364376 -59516140423 122 1    22 221 1      C-13-H3C(O)CH3
  234096.0780  0.0028 -3.7252 3   90.4364376 -59516140423 222 1    22 121 1      C-13-H3C(O)CH3
  234096.0780  0.0027 -4.5381 3   90.4360376 -59516140423 122 2    22 221 2      C-13-H3C(O)CH3
  234096.1403  0.0027 -3.6744 3   90.4360376  59516140423 222 2    22 221 2      C-13-H3C(O)CH3
  234096.1403  0.0027 -3.6744 3   90.4360376  59516140423 122 2    22 121 2      C-13-H3C(O)CH3
  234097.4451  0.0059 -4.8799 3  532.8910372  595161404461928 3    461829 3      C-13-H3C(O)CH3
  234097.4451  0.0059 -4.8799 3  532.8910372  595161404461828 3    461729 3      C-13-H3C(O)CH3
  234097.4716  0.0059 -4.8799 3  532.8910372  595161404461828 4    461729 4      C-13-H3C(O)CH3
  234097.4717  0.0059 -4.8799 3  532.8910372  595161404461928 4    461829 4      C-13-H3C(O)CH3
  234103.2116  0.0240 -6.5904 3  166.4034196  5951614042418 7 4    2415 9 4      C-13-H3C(O)CH3
  234106.2213  0.0738 -5.5367 3 1078.1189984  595161404614417 0    614318 0      C-13-H3C(O)CH3
  234107.3246  0.0737 -5.5367 3 1078.1189984  595161404614418 0    614319 0      C-13-H3C(O)CH3
  234109.3006  0.6330 -6.8931 3 1835.8616D04  595161404815230 1    815131 1      C-13-H3C(O)CH3
  234111.9009  0.0756 -5.5367 3 1078.1660984  595161404614417 1    614318 1      C-13-H3C(O)CH3
  234111.9792  0.0139 -5.5811 3  134.8450360  5951614042215 8 1    2116 5 1      C-13-H3C(O)CH3
  234117.1080  0.0024 -5.3647 3   90.3767376  59516140423 222 0    22 221 0      C-13-H3C(O)CH3
  234117.1080  0.0024 -3.6263 3   90.3767376  59516140423 122 0    22 221 0      C-13-H3C(O)CH3
  234117.1131  0.0024 -5.3647 3   90.3767376 -59516140423 122 0    22 121 0      C-13-H3C(O)CH3
  234117.1131  0.0024 -3.6263 3   90.3767376 -59516140423 222 0    22 121 0      C-13-H3C(O)CH3
  234133.7504  0.0107 -5.0812 3  151.8860236  59516140429 227 3    29 128 3      C-13-H3C(O)CH3
  234133.7504  0.0107 -5.7267 3  151.8860236  59516140429 227 3    29 228 3      C-13-H3C(O)CH3
  234133.7504  0.0107 -5.7267 3  151.8860236  59516140429 327 3    29 128 3      C-13-H3C(O)CH3
  234133.7504  0.0107 -5.0812 3  151.8860236  59516140429 327 3    29 228 3      C-13-H3C(O)CH3
  234134.0977  0.0116 -5.0165 3  151.8860236  59516140429 227 4    29 228 4      C-13-H3C(O)CH3
  234134.0977  0.0116 -6.2649 3  151.8860236  59516140429 227 4    29 128 4      C-13-H3C(O)CH3
  234134.0977  0.0116 -5.0165 3  151.8860236  59516140429 327 4    29 128 4      C-13-H3C(O)CH3
  234134.0977  0.0116 -6.2649 3  151.8860236  59516140429 327 4    29 228 4      C-13-H3C(O)CH3
  234136.0681  0.0105 -6.6827 3  417.4343324  595161404401822 4    392119 4      C-13-H3C(O)CH3
  234136.1532  0.0105 -6.6827 3  417.4344324  595161404401822 3    392119 3      C-13-H3C(O)CH3
  234140.2607  0.0101 -6.3824 3  417.4625648  595161404401822 1    392119 1      C-13-H3C(O)CH3
  234143.9117  0.4090 -6.6494 3 1545.4337596  595161404744925 3    744826 3      C-13-H3C(O)CH3
  234146.1775  0.0133 -5.5183 3  134.8477360  5951614042215 8 2    2116 5 2      C-13-H3C(O)CH3
  234147.8552  0.0293 -7.0974 3  486.6849680  595161404422518 1    412813 1      C-13-H3C(O)CH3
  234159.6818  0.0353 -5.6339 3  530.7217324  5951614044039 1 4    4038 2 4      C-13-H3C(O)CH3
  234167.6169  0.3398 -6.3439 3 1545.3811B92  595161404744925 0    744826 0      C-13-H3C(O)CH3
  234174.5150  0.0658 -5.5366 3 1078.1701984  595161404614417 2    614318 2      C-13-H3C(O)CH3
  234179.2315  0.0637 -5.8377 3 1078.2172492  595161404614417 4    614318 4      C-13-H3C(O)CH3
  234182.0243  0.0072 -4.6522 3  188.7179504 -59516140431 527 0    31 428 0      C-13-H3C(O)CH3
  234182.0243  0.0072 -4.6522 3  188.7179504 -59516140431 427 0    31 328 0      C-13-H3C(O)CH3
  234182.0924  0.0072 -4.9553 3  188.7179504  59516140431 527 0    31 328 0      C-13-H3C(O)CH3
  234182.0924  0.0072 -4.9553 3  188.7179504  59516140431 427 0    31 428 0      C-13-H3C(O)CH3
  234190.5298  0.0356 -7.0204 3  339.4152284  595161404352114 4    342411 4      C-13-H3C(O)CH3
  234193.7739  0.0105 -6.3799 3  417.4580648  595161404401822 2    392119 2      C-13-H3C(O)CH3
  234196.2633  0.0044 -5.2250 3   20.1722168  59516140410 4 6 0     9 3 7 0      C-13-H3C(O)CH3
  234197.5518  0.0088 -6.3807 3  417.4862648  595161404401822 0    392119 0      C-13-H3C(O)CH3
  234199.6342  0.0221 -6.6251 3  339.4635568  595161404352114 0    342411 0      C-13-H3C(O)CH3
  234215.5149  0.0103 -4.6693 3  169.9912488  59516140430 327 2    30 328 2      C-13-H3C(O)CH3
  234215.5149  0.0103 -4.6693 3  169.9912488  59516140430 427 2    30 228 2      C-13-H3C(O)CH3
  234215.5149  0.0103 -5.2029 3  169.9912488  59516140430 427 2    30 328 2      C-13-H3C(O)CH3
  234215.5149  0.0103 -5.2029 3  169.9912488  59516140430 327 2    30 228 2      C-13-H3C(O)CH3
  234216.9541  0.0108 -4.5580 3  169.9916488  59516140430 327 1    30 328 1      C-13-H3C(O)CH3
  234216.9541  0.0108 -4.5580 3  169.9916488  59516140430 427 1    30 228 1      C-13-H3C(O)CH3
  234218.7526  0.0027 -4.1677 3   64.8931264 -59516140416 9 8 0    15 8 7 0      C-13-H3C(O)CH3
  234239.7297  0.4339 -6.6867 3 1545.4064596  595161404744926 4    744827 4      C-13-H3C(O)CH3
  234279.4837  0.1987 -6.5219 3 1496.2174596  595161404744233 4    744134 4      C-13-H3C(O)CH3
  234279.6386  0.1982 -6.5219 3 1496.2174596  595161404744233 3    744134 3      C-13-H3C(O)CH3
  234293.4835  0.0074 -7.0872 3   55.4134124  59516140415 8 8 4    15 511 4      C-13-H3C(O)CH3
  234295.2744  0.0379 -7.1000 3  339.4119284  595161404352114 3    342411 3      C-13-H3C(O)CH3
  234296.3554  0.0055 -7.0872 3   55.4134124  59516140415 8 8 3    15 511 3      C-13-H3C(O)CH3
  234304.7729  0.0043 -5.5279 3   20.3027 84  59516140410 5 6 4     9 2 7 4      C-13-H3C(O)CH3
  234307.2743  0.0034 -5.5279 3   20.3027 84  59516140410 5 6 3     9 2 7 3      C-13-H3C(O)CH3
  234312.4654  0.1963 -6.2208 3 1496.2061B92  595161404744233 1    744134 1      C-13-H3C(O)CH3
  234323.8784  0.1992 -6.2208 3 1496.2105B92  595161404744233 2    744134 2      C-13-H3C(O)CH3
  234355.0303  0.0128 -5.5129 3  134.3367228  59516140428 227 3    28 028 3      C-13-H3C(O)CH3
  234355.0303  0.0128 -5.5129 3  134.3367228  59516140428 127 3    28 128 3      C-13-H3C(O)CH3
  234355.0303  0.0128 -5.5943 3  134.3367228  59516140428 127 3    28 028 3      C-13-H3C(O)CH3
  234355.0303  0.0128 -5.5943 3  134.3367228  59516140428 227 3    28 128 3      C-13-H3C(O)CH3
  234355.6143  0.0137 -5.7163 3  134.3367228  59516140428 227 4    28 128 4      C-13-H3C(O)CH3
  234355.6143  0.0137 -5.4326 3  134.3367228  59516140428 227 4    28 028 4      C-13-H3C(O)CH3
  234355.6143  0.0137 -5.4326 3  134.3367228  59516140428 127 4    28 128 4      C-13-H3C(O)CH3
  234355.6143  0.0137 -5.7163 3  134.3367228  59516140428 127 4    28 028 4      C-13-H3C(O)CH3
  234356.7224  0.1969 -6.2206 3 1496.1993B92  595161404744233 0    744134 0      C-13-H3C(O)CH3
  234372.0549  0.0101 -6.3815 3  417.4548648  595161404401922 1    392019 1      C-13-H3C(O)CH3
  234376.5540  0.0107 -6.6817 3  417.4263324  595161404401922 4    392019 4      C-13-H3C(O)CH3
  234377.1099  0.0107 -6.6817 3  417.4263324  595161404401922 3    392019 3      C-13-H3C(O)CH3
  234390.3219  0.3647 -6.4087 3 1545.4018B92  595161404744925 2    744826 2      C-13-H3C(O)CH3
  234392.8578  0.0074 -5.9899 3   24.5550 84  59516140410 8 3 4     9 5 4 4      C-13-H3C(O)CH3
  234395.4142  0.0154 -6.0761 3  246.3865488  595161404301713 2    292010 2      C-13-H3C(O)CH3
  234415.7097  0.0105 -4.9255 3  766.2807872  595161404542529 0    542430 0      C-13-H3C(O)CH3
  234415.7531  0.0105 -4.9255 3  766.2807872  595161404542629 0    542530 0      C-13-H3C(O)CH3
  234419.6223  0.5021 -6.4662 3 1545.3936B92  595161404744926 1    744827 1      C-13-H3C(O)CH3
  234421.8396  0.4192 -6.4666 3 1545.4161B92  595161404744925 1    744826 1      C-13-H3C(O)CH3
  234426.9388  0.0088 -6.3798 3  417.4785648  595161404401922 0    392019 0      C-13-H3C(O)CH3
  234432.1655  0.0106 -6.3790 3  417.4501648  595161404401922 2    392019 2      C-13-H3C(O)CH3
  234441.4037  0.0128 -6.2293 3  148.6948188  5951614042316 8 4    231311 4      C-13-H3C(O)CH3
  234449.5161  0.0128 -5.9308 3  121.8512172  5951614042114 7 3    2015 5 3      C-13-H3C(O)CH3
  234449.5690  0.0157 -4.9253 3  766.2775872  595161404542529 2    542430 2      C-13-H3C(O)CH3
  234449.6007  0.0118 -4.9253 3  766.2777872  595161404542529 1    542430 1      C-13-H3C(O)CH3
  234449.6178  0.0157 -4.9253 3  766.2775872  595161404542629 2    542530 2      C-13-H3C(O)CH3
  234449.6503  0.0118 -4.9253 3  766.2777872  595161404542629 1    542530 1      C-13-H3C(O)CH3
  234464.4410  0.0308 -5.5898 3  511.9341632  5951614043939 1 2    3938 2 2      C-13-H3C(O)CH3
  234472.1250  0.0133 -6.0622 3  246.4062488  595161404301713 0    292010 0      C-13-H3C(O)CH3
  234483.5214  0.0162 -5.2261 3  766.2744436  595161404542529 3    542430 3      C-13-H3C(O)CH3
  234483.5772  0.0162 -5.2261 3  766.2744436  595161404542629 3    542530 3      C-13-H3C(O)CH3
  234483.6292  0.0163 -5.2261 3  766.2744436  595161404542529 4    542430 4      C-13-H3C(O)CH3
  234483.6846  0.0163 -5.2261 3  766.2744436  595161404542629 4    542530 4      C-13-H3C(O)CH3
  234497.4408  0.4148 -6.4081 3 1545.3752B92  595161404744926 2    744827 2      C-13-H3C(O)CH3
  234509.9411  0.0136 -4.8234 3  151.8310472  59516140429 327 2    29 128 2      C-13-H3C(O)CH3
  234509.9411  0.0136 -4.8234 3  151.8310472  59516140429 227 2    29 228 2      C-13-H3C(O)CH3
  234509.9411  0.0136 -5.2665 3  151.8310472  59516140429 327 2    29 228 2      C-13-H3C(O)CH3
  234509.9411  0.0136 -5.2665 3  151.8310472  59516140429 227 2    29 128 2      C-13-H3C(O)CH3
  234510.7409  0.0142 -6.3768 3  151.8315472  59516140429 227 1    29 128 1      C-13-H3C(O)CH3
  234510.7409  0.0142 -4.6989 3  151.8315472  59516140429 327 1    29 128 1      C-13-H3C(O)CH3
  234510.7409  0.0142 -6.6341 3  151.8315472  59516140429 327 1    29 228 1      C-13-H3C(O)CH3
  234510.7409  0.0142 -4.6949 3  151.8315472  59516140429 227 1    29 228 1      C-13-H3C(O)CH3
  234520.6535  0.0213 -6.9578 3  486.6908680  595161404422518 0    412813 0      C-13-H3C(O)CH3
  234524.3322  0.0042 -5.2254 3   20.2370168  59516140410 5 6 2     9 2 7 2      C-13-H3C(O)CH3
  234534.7580  0.0041 -5.2256 3   20.2376168  59516140410 5 6 1     9 2 7 1      C-13-H3C(O)CH3
  234546.0114  0.0097 -4.7393 3  169.9504488 -59516140430 327 0    30 228 0      C-13-H3C(O)CH3
  234546.0114  0.0097 -4.7393 3  169.9504488 -59516140430 427 0    30 328 0      C-13-H3C(O)CH3
  234546.0658  0.0097 -5.0199 3  169.9504488  59516140430 327 0    30 328 0      C-13-H3C(O)CH3
  234546.0658  0.0097 -5.0199 3  169.9504488  59516140430 427 0    30 228 0      C-13-H3C(O)CH3
  234565.0496  0.0060 -6.7809 3   55.3656248  59516140415 8 8 2    15 511 2      C-13-H3C(O)CH3
  234587.3407  0.0268 -5.5898 3  511.9913632  5951614043939 1 0    3938 1 0      C-13-H3C(O)CH3
  234587.3407  0.0268 -5.5898 3  511.9913632  5951614043939 0 0    3938 2 0      C-13-H3C(O)CH3
  234598.7642  0.0059 -6.7823 3   55.3665248  59516140415 8 8 1    15 511 1      C-13-H3C(O)CH3
  234600.6330  0.0262 -6.6626 3  339.4345568  595161404352114 1    342411 1      C-13-H3C(O)CH3
  234606.3923  0.0387 -5.8902 3  511.8894316  5951614043939 1 4    3938 2 4      C-13-H3C(O)CH3
  234618.6401  0.4190 -6.6859 3 1545.4390596  595161404744925 4    744826 4      C-13-H3C(O)CH3
  234674.5569  0.0130 -5.5626 3  185.6281408  5951614042520 6 0    2421 3 0      C-13-H3C(O)CH3
  234676.2313  0.0130 -5.5626 3  185.6281408  5951614042520 5 0    2421 4 0      C-13-H3C(O)CH3
  234703.8779  0.3299 -6.3419 3 1545.3602B92  595161404744926 0    744827 0      C-13-H3C(O)CH3
  234714.7987  0.2911 -6.6474 3 1545.4116596  595161404744926 3    744827 3      C-13-H3C(O)CH3
  234729.2737  0.0320 -5.5892 3  511.9465632  5951614043939 1 1    3938 2 1      C-13-H3C(O)CH3
  234752.7541  0.0044 -5.2241 3   20.1720168  59516140410 5 6 0     9 2 7 0      C-13-H3C(O)CH3
  234755.4330  0.2075 -6.3025 3 1354.6976556  595161404694723 4    694624 4      C-13-H3C(O)CH3
  234768.1856  0.0328 -5.5387 3  868.2135436  595161404544213 4    544113 4      C-13-H3C(O)CH3
  234779.7959  0.0177 -5.3921 3  134.2669456  59516140428 127 2    28 128 2      C-13-H3C(O)CH3
  234779.7959  0.0177 -5.3921 3  134.2669456  59516140428 227 2    28 028 2      C-13-H3C(O)CH3
  234779.7959  0.0177 -5.1406 3  134.2669456  59516140428 227 2    28 128 2      C-13-H3C(O)CH3
  234779.7959  0.0177 -5.1406 3  134.2669456  59516140428 127 2    28 028 2      C-13-H3C(O)CH3
  234779.9130  0.0182 -5.7277 3  134.2673456  59516140428 127 1    28 128 1      C-13-H3C(O)CH3
  234779.9130  0.0182 -5.0264 3  134.2673456  59516140428 227 1    28 128 1      C-13-H3C(O)CH3
  234779.9130  0.0182 -5.7277 3  134.2673456  59516140428 227 1    28 028 1      C-13-H3C(O)CH3
  234779.9130  0.0182 -5.0264 3  134.2673456  59516140428 127 1    28 028 1      C-13-H3C(O)CH3
  234794.8410  0.0394 -5.8900 3  511.9613316  5951614043939 0 3    3938 1 3      C-13-H3C(O)CH3
  234808.2788  0.0165 -6.7609 3  116.8612164  5951614042016 5 4    2013 8 4      C-13-H3C(O)CH3
  234812.4450  0.0039 -6.7599 3   85.3914148  5951614041810 8 4    1711 6 4      C-13-H3C(O)CH3
  234818.0096  0.0288 -5.5385 3  868.2092436  595161404544213 3    544114 3      C-13-H3C(O)CH3
  234824.8239  0.0228 -5.4259 3  760.5750404  595161404504110 3    504011 3      C-13-H3C(O)CH3
  234825.3738  0.0339 -5.5891 3  511.9895632  5951614043939 0 2    3938 1 2      C-13-H3C(O)CH3
  234833.5421  0.0143 -5.4428 3  121.8383172  5951614042114 7 3    2015 6 3      C-13-H3C(O)CH3
  234852.8286  0.0223 -5.4258 3  760.5704404  595161404504110 4    504011 4      C-13-H3C(O)CH3
  234853.1935  0.0182 -5.1249 3  760.5666808  5951614045041 9 2    504010 2      C-13-H3C(O)CH3
  234853.6424  0.0066 -5.0750 3  134.8283360  5951614042215 8 0    2116 5 0      C-13-H3C(O)CH3
  234859.2160  0.0243 -5.2374 3  868.1826872  595161404544213 2    544114 2      C-13-H3C(O)CH3
  234865.4250  0.0238 -5.4260 3  760.5937404  5951614045041 9 4    504010 4      C-13-H3C(O)CH3
  234868.5272  0.0058 -6.7769 3   55.3188248  59516140415 8 8 0    15 511 0      C-13-H3C(O)CH3
  234869.8012  0.0196 -6.3817 3  246.3615244  595161404301713 3    292010 3      C-13-H3C(O)CH3
  234876.6477  0.0098 -5.6138 3  216.3732456  595161404281711 2    281414 2      C-13-H3C(O)CH3
  234880.2784  0.0177 -5.1248 3  760.5619808  595161404504110 2    504011 2      C-13-H3C(O)CH3
  234885.1438  0.0115 -5.5608 3  185.6164408  5951614042520 5 2    2421 3 2      C-13-H3C(O)CH3
  234885.2502  0.0088 -5.6129 3  216.3884456  595161404281711 0    281414 0      C-13-H3C(O)CH3
  234886.0400  0.0130 -4.6880 3  151.7766472  59516140429 227 0    29 128 0      C-13-H3C(O)CH3
  234886.0400  0.0130 -4.6880 3  151.7766472  59516140429 327 0    29 228 0      C-13-H3C(O)CH3
  234888.5579  0.0075 -7.1417 3   85.3565296  5951614041810 8 2    1711 6 2      C-13-H3C(O)CH3
  234893.2255  0.0225 -5.4258 3  760.5892404  5951614045041 9 3    504010 3      C-13-H3C(O)CH3
  234893.9372  0.2379 -6.0037 3 1354.6714B12  595161404694723 1    694624 1      C-13-H3C(O)CH3
  234902.9348  0.0308 -5.2539 3  963.2941968  595161404603030 1    602931 1      C-13-H3C(O)CH3
  234903.1435  0.0379 -5.5549 3  963.3053484  595161404603030 3    602931 3      C-13-H3C(O)CH3
  234903.2001  0.0380 -5.5549 3  963.3053484  595161404603030 4    602931 4      C-13-H3C(O)CH3
  234905.1846  0.0309 -5.2539 3  963.2941968  595161404603130 1    603031 1      C-13-H3C(O)CH3
  234905.5738  0.0378 -5.5549 3  963.3053484  595161404603130 3    603031 3      C-13-H3C(O)CH3
  234905.6218  0.0379 -5.5549 3  963.3053484  595161404603130 4    603031 4      C-13-H3C(O)CH3
  234906.2228  0.0296 -5.2540 3  963.2841968  595161404603030 0    602931 0      C-13-H3C(O)CH3
  234906.4307  0.0370 -5.2539 3  963.2952968  595161404603030 2    602931 2      C-13-H3C(O)CH3
  234908.2404  0.0296 -5.2540 3  963.2841968  595161404603130 0    603031 0      C-13-H3C(O)CH3
  234908.6109  0.0369 -5.2539 3  963.2952968  595161404603130 2    603031 2      C-13-H3C(O)CH3
  234915.3424  0.0286 -5.5383 3  868.2168436  595161404544212 3    544113 3      C-13-H3C(O)CH3
  234918.9770  0.0318 -5.5890 3  512.0185632  5951614043939 0 1    3938 1 1      C-13-H3C(O)CH3
  234945.8464  0.0063 -6.9610 3   85.3622296  5951614041810 8 1    1711 6 1      C-13-H3C(O)CH3
  234946.4510  0.0043 -4.5422 3  505.3705728  595161404451828 0    451729 0      C-13-H3C(O)CH3
  234946.4510  0.0043 -4.5422 3  505.3705728  595161404451728 0    451629 0      C-13-H3C(O)CH3
  234961.9468  0.0184 -5.1246 3  760.5475808  595161404504110 1    504011 1      C-13-H3C(O)CH3
  234964.6911  0.0263 -5.5381 3  868.2124436  595161404544212 4    544114 4      C-13-H3C(O)CH3
  234965.9281  0.0229 -5.2371 3  868.1763872  595161404544212 1    544113 1      C-13-H3C(O)CH3
  234967.0378  0.0406 -5.8896 3  511.9447316  5951614043939 1 3    3938 2 3      C-13-H3C(O)CH3
  234970.6069  0.4786 -6.6632 3 1354.7129556  595161404694723 3    694623 3      C-13-H3C(O)CH3
  234979.5804  0.0052 -4.5418 3  505.3431728  595161404451828 2    451729 2      C-13-H3C(O)CH3
  234979.5804  0.0052 -4.5418 3  505.3431728  595161404451728 2    451629 2      C-13-H3C(O)CH3
  234983.1282  0.0049 -4.5418 3  505.3443728  595161404451828 1    451729 1      C-13-H3C(O)CH3
  234983.1282  0.0049 -4.5418 3  505.3443728  595161404451728 1    451629 1      C-13-H3C(O)CH3
  234989.7528  0.0166 -5.1246 3  760.5390808  595161404504110 0    504011 0      C-13-H3C(O)CH3
  234989.7528  0.0166 -5.1246 3  760.5390808  5951614045041 9 0    504010 0      C-13-H3C(O)CH3
  235003.1054  0.0188 -5.1246 3  760.5662808  5951614045041 9 1    504010 1      C-13-H3C(O)CH3
  235005.4932  0.0224 -5.2370 3  868.1858872  595161404544212 2    544113 2      C-13-H3C(O)CH3
  235006.3931  0.0124 -5.5617 3  185.5565408  5951614042520 6 1    2421 4 1      C-13-H3C(O)CH3
  235011.0108  0.2052 -6.0033 3 1354.6629B12  595161404694723 2    694624 2      C-13-H3C(O)CH3
  235015.0816  0.0210 -5.2369 3  868.1720872  595161404544213 1    544114 1      C-13-H3C(O)CH3
  235016.1853  0.0157 -5.0877 3  639.3497728  5951614044540 6 2    4539 7 2      C-13-H3C(O)CH3
  235016.3176  0.0054 -4.8426 3  505.3169364  595161404451728 4    451629 4      C-13-H3C(O)CH3
  235016.3176  0.0054 -4.8426 3  505.3169364  595161404451828 4    451729 4      C-13-H3C(O)CH3
  235016.3203  0.0054 -4.8426 3  505.3170364  595161404451728 3    451629 3      C-13-H3C(O)CH3
  235016.3203  0.0054 -4.8426 3  505.3170364  595161404451828 3    451729 3      C-13-H3C(O)CH3
  235044.9396  0.0121 -5.3409 3  121.8233344  5951614042114 7 2    2015 6 2      C-13-H3C(O)CH3
  235045.9248  0.0216 -5.3885 3  639.3328364  5951614044540 6 4    4539 7 4      C-13-H3C(O)CH3
  235051.0627  0.0124 -5.5606 3  185.6005408  5951614042520 5 1    2421 3 1      C-13-H3C(O)CH3
  235051.7415  0.4501 -6.5484 3 1354.7102556  595161404694723 3    694624 3      C-13-H3C(O)CH3
  235056.0388  0.0203 -5.2369 3  868.1454872  595161404544212 0    544113 0      C-13-H3C(O)CH3
  235056.0414  0.0203 -5.2369 3  868.1454872  595161404544213 0    544114 0      C-13-H3C(O)CH3
  235068.7384  0.0167 -6.1073 3  246.3772488  595161404301713 1    292010 1      C-13-H3C(O)CH3
  235074.8434  0.4900 -6.5484 3 1354.7129556  595161404694722 3    694623 3      C-13-H3C(O)CH3
  235094.7181  0.6854 -6.9477 3 1545.3936B92  595161404744925 1    744827 1      C-13-H3C(O)CH3
  235095.4435  0.0126 -5.5606 3  185.5689408  5951614042520 6 2    2421 4 2      C-13-H3C(O)CH3
  235107.2793  0.0232 -6.4405 3  246.3540244  595161404301713 4    292010 4      C-13-H3C(O)CH3
  235107.8118  0.2171 -5.9995 3 1354.6384B12  595161404694722 0    694623 0      C-13-H3C(O)CH3
  235111.4861  0.0085 -5.8763 3  148.6936376  5951614042316 8 1    231311 1      C-13-H3C(O)CH3
  235140.1827  0.0227 -7.0066 3  502.9985696  595161404432420 2    422715 2      C-13-H3C(O)CH3
  235144.6839  0.0029 -5.3871 3   43.4429108  59516140413 9 5 4    12 8 5 4      C-13-H3C(O)CH3
  235148.2930  0.0165 -6.2868 3  166.4046392  5951614042418 7 1    2415 9 1      C-13-H3C(O)CH3
  235155.9779  0.5193 -6.6626 3 1354.7102556  595161404694722 3    694624 3      C-13-H3C(O)CH3
  235158.4745  0.0436 -5.8894 3  512.0167316  5951614043939 0 4    3938 1 4      C-13-H3C(O)CH3
  235163.9514  0.0137 -5.9183 3  216.3630228  595161404281711 4    281414 4      C-13-H3C(O)CH3
  235166.6954  0.0144 -5.0875 3  639.3593728  5951614044540 5 0    4539 7 0      C-13-H3C(O)CH3
  235166.6954  0.0144 -5.0875 3  639.3593728  5951614044540 6 0    4539 6 0      C-13-H3C(O)CH3
  235168.3402  0.0152 -5.0874 3  639.3717728  5951614044540 5 2    4539 6 2      C-13-H3C(O)CH3
  235169.7758  0.0032 -4.8582 3   91.9070196  59516140424 024 3    23 123 3      C-13-H3C(O)CH3
  235169.7758  0.0032 -4.8582 3   91.9070196  59516140424 124 3    23 023 3      C-13-H3C(O)CH3
  235169.7769  0.0032 -3.8823 3   91.9070196  59516140424 024 4    23 023 4      C-13-H3C(O)CH3
  235169.7769  0.0032 -3.8823 3   91.9070196  59516140424 124 4    23 123 4      C-13-H3C(O)CH3
  235169.7959  0.0032 -5.6822 3   91.9070196 -59516140424 024 4    23 123 4      C-13-H3C(O)CH3
  235169.7959  0.0032 -5.6822 3   91.9070196 -59516140424 124 4    23 023 4      C-13-H3C(O)CH3
  235169.7959  0.0032 -3.9232 3   91.9070196 -59516140424 024 3    23 023 3      C-13-H3C(O)CH3
  235169.7959  0.0032 -3.9232 3   91.9070196 -59516140424 124 3    23 123 3      C-13-H3C(O)CH3
  235173.2558  0.0122 -5.9184 3  216.3629228  595161404281711 3    281414 3      C-13-H3C(O)CH3
  235173.7297  0.0099 -5.6165 3  216.3782456  595161404281711 1    281414 1      C-13-H3C(O)CH3
  235175.7933  0.0036 -3.8736 3   91.8366392  59516140424 124 1    23 123 1      C-13-H3C(O)CH3
  235175.7933  0.0036 -3.8771 3   91.8366392  59516140424 024 1    23 123 1      C-13-H3C(O)CH3
  235175.8702  0.0036 -3.8736 3   91.8366392 -59516140424 024 1    23 023 1      C-13-H3C(O)CH3
  235175.8702  0.0035 -3.5775 3   91.8362392 -59516140424 024 2    23 023 2      C-13-H3C(O)CH3
  235175.8702  0.0035 -5.7055 3   91.8362392 -59516140424 124 2    23 023 2      C-13-H3C(O)CH3
  235175.8702  0.0036 -3.8771 3   91.8366392 -59516140424 124 1    23 023 1      C-13-H3C(O)CH3
  235175.9063  0.0035 -5.7055 3   91.8362392  59516140424 024 2    23 123 2      C-13-H3C(O)CH3
  235175.9063  0.0035 -3.5775 3   91.8362392  59516140424 124 2    23 123 2      C-13-H3C(O)CH3
  235176.2473  0.0186 -5.3883 3  639.3744364  5951614044540 5 3    4539 6 3      C-13-H3C(O)CH3
  235180.2315  0.2162 -5.9993 3 1354.6356B12  595161404694723 0    694624 0      C-13-H3C(O)CH3
  235181.9041  0.0032 -3.5794 3   91.7660392  59516140424 124 0    23 123 0      C-13-H3C(O)CH3
  235181.9041  0.0032 -5.4942 3   91.7660392  59516140424 024 0    23 123 0      C-13-H3C(O)CH3
  235181.9348  0.0032 -5.4942 3   91.7660392 -59516140424 124 0    23 023 0      C-13-H3C(O)CH3
  235181.9348  0.0032 -3.5794 3   91.7660392 -59516140424 024 0    23 023 0      C-13-H3C(O)CH3
  235187.8591  0.0066 -6.1254 3  148.6949188  5951614042316 8 3    231311 3      C-13-H3C(O)CH3
  235189.2155  0.8675 -7.1950 3 1545.3752B92  595161404744925 2    744827 2      C-13-H3C(O)CH3
  235196.1826  0.0168 -5.0873 3  639.3423728  5951614044540 6 1    4539 7 1      C-13-H3C(O)CH3
  235196.9187  0.0198 -5.3882 3  639.3547364  5951614044540 6 3    4539 7 3      C-13-H3C(O)CH3
  235203.6227  0.0171 -6.0242 3  134.1977456  59516140428 127 0    28 028 0      C-13-H3C(O)CH3
  235203.6227  0.0171 -4.9832 3  134.1977456  59516140428 127 0    28 128 0      C-13-H3C(O)CH3
  235203.6227  0.0171 -4.9456 3  134.1977456  59516140428 227 0    28 028 0      C-13-H3C(O)CH3
  235213.8380  0.0131 -5.8610 3  185.5447204  5951614042520 6 3    2421 3 3      C-13-H3C(O)CH3
  235226.0336  0.0059 -5.9666 3  119.2140344  5951614042113 9 2    2014 7 2      C-13-H3C(O)CH3
  235232.3746  0.0172 -5.3682 3  344.8125568  595161404352312 1    352015 1      C-13-H3C(O)CH3
  235239.5660  0.0144 -5.6090 3  134.8121180  5951614042215 8 3    2116 5 3      C-13-H3C(O)CH3
  235246.4812  0.2145 -6.0028 3 1354.6856B12  595161404694722 1    694623 1      C-13-H3C(O)CH3
  235260.8032  0.0156 -5.8599 3  185.5886204  5951614042520 5 4    2421 3 4      C-13-H3C(O)CH3
  235262.6916  0.2162 -6.0027 3 1354.6771B12  595161404694722 2    694623 2      C-13-H3C(O)CH3
  235285.2548  0.0202 -7.0045 3  502.9980696  595161404432420 1    422715 1      C-13-H3C(O)CH3
  235319.7148  0.0154 -5.3685 3  344.8308568  595161404352312 0    352015 0      C-13-H3C(O)CH3
  235327.7824  0.0147 -5.0872 3  639.3839728  5951614044540 5 1    4539 6 1      C-13-H3C(O)CH3
  235328.7231  0.0189 -5.3881 3  639.3962364  5951614044540 5 4    4539 6 4      C-13-H3C(O)CH3
  235351.1831  0.0729 -5.8680 3 1141.6724524  595161404653431 3    653332 3      C-13-H3C(O)CH3
  235351.1904  0.0730 -5.8680 3 1141.6725524  595161404653431 4    653332 4      C-13-H3C(O)CH3
  235355.3617  0.0219 -6.6650 3  166.4031196  5951614042418 7 3    2415 9 3      C-13-H3C(O)CH3
  235370.5327  0.2205 -6.3009 3 1354.7256556  595161404694722 4    694623 4      C-13-H3C(O)CH3
  235377.5648  0.0641 -5.5669 3 1141.6559A48  595161404653431 1    653332 1      C-13-H3C(O)CH3
  235378.9615  0.0719 -5.8679 3 1141.6726524  595161404653531 4    653432 4      C-13-H3C(O)CH3
  235378.9990  0.0718 -5.8679 3 1141.6725524  595161404653531 3    653432 3      C-13-H3C(O)CH3
  235385.9685  0.0723 -5.5669 3 1141.6583A48  595161404653431 2    653332 2      C-13-H3C(O)CH3
  235404.0530  0.0642 -5.5668 3 1141.6561A48  595161404653531 1    653432 1      C-13-H3C(O)CH3
  235411.4468  0.0711 -5.5668 3 1141.6584A48  595161404653531 2    653432 2      C-13-H3C(O)CH3
  235412.2530  0.0635 -5.5668 3 1141.6418A48  595161404653431 0    653332 0      C-13-H3C(O)CH3
  235421.1580  0.0135 -5.8607 3  185.4973204  5951614042520 6 4    2421 4 4      C-13-H3C(O)CH3
  235436.5041  0.0636 -5.5667 3 1141.6419A48  595161404653531 0    653432 0      C-13-H3C(O)CH3
  235458.7775  0.0077 -5.8569 3  148.6894376  5951614042316 8 2    231311 2      C-13-H3C(O)CH3
  235468.6645  0.0125 -5.8597 3  185.5412204  5951614042520 5 3    2421 4 3      C-13-H3C(O)CH3
  235474.7322  0.0191 -6.9998 3  503.0112696  595161404432420 0    422715 0      C-13-H3C(O)CH3
  235478.8128  0.4761 -7.1482 3 1985.4635D68  595161404855036 2    854937 2      C-13-H3C(O)CH3
  235480.7623  0.0024 -5.5629 3   43.4025216  59516140413 9 5 1    12 8 5 1      C-13-H3C(O)CH3
  235488.2452  0.0062 -5.8312 3  119.2081344  5951614042113 9 1    2014 7 1      C-13-H3C(O)CH3
  235489.6589  0.5788 -7.1482 3 1985.4679D68  595161404855036 0    854937 0      C-13-H3C(O)CH3
  235516.7212  0.0124 -5.3722 3  121.8119344  5951614042114 7 1    2015 6 1      C-13-H3C(O)CH3
  235518.1554  0.0026 -5.6743 3   43.4026216  59516140413 9 5 2    12 8 5 2      C-13-H3C(O)CH3
  235542.8167  0.5579 -7.1480 3 1985.4602D68  595161404855036 1    854937 1      C-13-H3C(O)CH3
  235552.8661  0.0126 -5.7510 3  134.8016180  5951614042215 8 3    2116 6 3      C-13-H3C(O)CH3
  235586.2795  0.0202 -5.6720 3  344.7803284  595161404352312 4    352015 4      C-13-H3C(O)CH3
  235601.4668  0.0219 -5.6725 3  344.7800284  595161404352312 3    352015 3      C-13-H3C(O)CH3
  235640.2565  0.8625 -7.0484 3 1626.8937C24  595161404765027 1    764927 1      C-13-H3C(O)CH3
  235651.5743  0.0083 -5.6436 3   24.4939168  59516140410 8 3 1     9 5 4 1      C-13-H3C(O)CH3
  235656.4467  0.9479 -7.0600 3 1924.6057D36  595161404835331 2    835232 2      C-13-H3C(O)CH3
  235686.1043  0.0209 -6.4586 3  166.4031196  5951614042418 6 3    2415 9 3      C-13-H3C(O)CH3
  235690.2578  0.0190 -5.3717 3  344.7983568  595161404352312 2    352015 2      C-13-H3C(O)CH3
  235762.6677  0.0086 -5.2660 3  134.7938360  5951614042215 8 2    2116 6 2      C-13-H3C(O)CH3
  235772.9978  0.5902 -7.0458 3 1924.6137D36  595161404835331 0    835232 0      C-13-H3C(O)CH3
  235814.3844  0.0040 -4.5075 3  478.3777712 -595161404441628 0    441529 0      C-13-H3C(O)CH3
  235814.3844  0.0040 -4.5075 3  478.3777712 -595161404441728 0    441629 0      C-13-H3C(O)CH3
  235839.2224  0.0048 -4.5073 3  478.3491712 -595161404441728 2    441629 2      C-13-H3C(O)CH3
  235839.2224  0.0048 -4.5073 3  478.3491712 -595161404441628 2    441529 2      C-13-H3C(O)CH3
  235842.9176  0.0047 -4.5073 3  478.3503712 -595161404441728 1    441629 1      C-13-H3C(O)CH3
  235842.9176  0.0047 -4.5073 3  478.3503712 -595161404441628 1    441529 1      C-13-H3C(O)CH3
  235849.7626  0.0061 -5.8159 3  148.6881376  5951614042316 8 0    231311 0      C-13-H3C(O)CH3
  235852.5542  0.6654 -7.0487 3 1924.6296D36  595161404835331 1    835232 1      C-13-H3C(O)CH3
  235867.9255  0.0051 -4.8081 3  478.3215356 -595161404441728 4    441629 4      C-13-H3C(O)CH3
  235867.9255  0.0051 -4.8081 3  478.3215356 -595161404441728 3    441629 3      C-13-H3C(O)CH3
  235867.9255  0.0051 -4.8081 3  478.3215356 -595161404441628 3    441529 3      C-13-H3C(O)CH3
  235867.9255  0.0051 -4.8081 3  478.3215356 -595161404441628 4    441529 4      C-13-H3C(O)CH3
  235873.1116  0.0089 -4.8707 3  734.1021856  595161404532429 0    532330 0      C-13-H3C(O)CH3
  235873.1257  0.0089 -4.8707 3  734.1021856  595161404532529 0    532430 0      C-13-H3C(O)CH3
  235890.0791  0.0127 -5.4219 3   45.1373108  5951614041310 4 4    12 9 3 4      C-13-H3C(O)CH3
  235897.3038  0.0099 -5.6371 3   24.4910168  59516140410 8 3 2     9 5 4 2      C-13-H3C(O)CH3
  235901.7167  0.0161 -6.2869 3  166.3937392  5951614042418 7 2    2415 9 2      C-13-H3C(O)CH3
  235912.3469  0.0135 -4.8704 3  734.0957856  595161404532429 2    532330 2      C-13-H3C(O)CH3
  235912.3629  0.0135 -4.8704 3  734.0957856  595161404532529 2    532430 2      C-13-H3C(O)CH3
  235912.7774  0.0101 -4.8704 3  734.0961856  595161404532429 1    532330 1      C-13-H3C(O)CH3
  235912.7936  0.0101 -4.8704 3  734.0961856  595161404532529 1    532430 1      C-13-H3C(O)CH3
  235933.2895  0.0060 -5.7810 3   24.5536 84  59516140410 8 3 3     9 5 4 3      C-13-H3C(O)CH3
  235952.0816  0.0138 -5.1712 3  734.0897428  595161404532429 3    532330 3      C-13-H3C(O)CH3
  235952.1001  0.0138 -5.1712 3  734.0897428  595161404532529 3    532430 3      C-13-H3C(O)CH3
  235952.1923  0.0139 -5.1712 3  734.0897428  595161404532429 4    532330 4      C-13-H3C(O)CH3
  235952.2106  0.0139 -5.1712 3  734.0897428  595161404532529 4    532430 4      C-13-H3C(O)CH3
  236028.4499  0.0082 -5.2337 3  134.7811360  5951614042215 8 1    2116 6 1      C-13-H3C(O)CH3
  236033.0808  0.4361 -6.7913 3 1626.9057612  595161404765026 3    764927 3      C-13-H3C(O)CH3
  236058.6370  0.4026 -6.4895 3 1626.8628C24  595161404765026 0    764927 0      C-13-H3C(O)CH3
  236081.2316  0.0103 -5.8495 3  119.1949172  5951614042113 9 4    2014 7 4      C-13-H3C(O)CH3
  236130.5572  0.0124 -6.4920 3  116.8546328  5951614042016 5 1    2013 8 1      C-13-H3C(O)CH3
  236131.9791  0.0430 -5.6554 3  956.2184460  595161404574315 4    574216 4      C-13-H3C(O)CH3
  236184.0497  0.0017 -4.3971 3   72.7709140 -59516140417 8 9 3    16 9 8 3      C-13-H3C(O)CH3
  236196.7152  0.0020 -4.3971 3   72.7706140 -59516140417 8 9 4    16 9 8 4      C-13-H3C(O)CH3
  236245.9061  0.0386 -5.6551 3  956.2230460  595161404574315 3    574216 3      C-13-H3C(O)CH3
  236255.8095  0.0019 -4.0970 3   72.7371280 -59516140417 8 9 2    16 9 8 2      C-13-H3C(O)CH3
  236270.7616  0.4462 -6.5664 3 1626.8770C24  595161404765026 2    764927 2      C-13-H3C(O)CH3
  236275.5928  0.0019 -4.0963 3   72.7394280 -59516140417 8 9 1    16 9 8 1      C-13-H3C(O)CH3
  236284.5608  0.0343 -5.3540 3  956.1856920  595161404574315 2    574216 2      C-13-H3C(O)CH3
  236298.0375  0.0170 -5.1160 3  618.1607712  5951614044440 5 2    4439 6 2      C-13-H3C(O)CH3
  236301.2695  0.5353 -6.6297 3 1626.8937C24  595161404765026 1    764927 1      C-13-H3C(O)CH3
  236338.9232  0.0360 -5.6549 3  956.2264460  595161404574314 3    574215 3      C-13-H3C(O)CH3
  236340.9154  0.0019 -4.0973 3   72.7058280 -59516140417 8 9 0    16 9 8 0      C-13-H3C(O)CH3
  236349.4880  0.0316 -5.3538 3  956.1781920  595161404574315 1    574216 1      C-13-H3C(O)CH3
  236351.6662  0.0232 -5.4166 3  618.1390356  5951614044440 5 4    4439 6 4      C-13-H3C(O)CH3
  236361.9112  0.1337 -6.1148 3 1248.0681532  595161404664621 4    664522 4      C-13-H3C(O)CH3
  236365.9671  0.5740 -6.8525 3 1626.8694612  595161404765027 4    764928 4      C-13-H3C(O)CH3
  236447.6783  0.0155 -5.1158 3  618.1787712  5951614044440 5 0    4439 5 0      C-13-H3C(O)CH3
  236447.6783  0.0155 -5.1158 3  618.1787712  5951614044440 4 0    4439 6 0      C-13-H3C(O)CH3
  236452.1394  0.0353 -5.6546 3  956.2310460  595161404574314 4    574215 4      C-13-H3C(O)CH3
  236462.8519  0.0337 -5.3535 3  956.1827920  595161404574314 1    574215 1      C-13-H3C(O)CH3
  236484.8964  0.0164 -6.8094 3  116.8659164  5951614042016 5 3    2013 8 3      C-13-H3C(O)CH3
  236490.7413  0.0326 -5.3534 3  956.1935920  595161404574314 2    574215 2      C-13-H3C(O)CH3
  236494.7254  0.0203 -5.4165 3  618.1864356  5951614044440 4 3    4439 5 3      C-13-H3C(O)CH3
  236495.7942  0.0164 -5.1156 3  618.1883712  5951614044440 4 2    4439 5 2      C-13-H3C(O)CH3
  236501.1850  0.0180 -5.1155 3  618.1570712  5951614044440 5 1    4439 6 1      C-13-H3C(O)CH3
  236501.3660  0.0319 -5.3534 3  956.1453920  595161404574314 0    574215 0      C-13-H3C(O)CH3
  236501.3937  0.0319 -5.3534 3  956.1453920  595161404574315 0    574216 0      C-13-H3C(O)CH3
  236506.9903  0.3483 -6.7524 3 1621.6103620  595161404774334 4    774235 4      C-13-H3C(O)CH3
  236506.9971  0.3489 -6.7524 3 1621.6103620  595161404774334 3    774235 3      C-13-H3C(O)CH3
  236517.1229  0.5139 -6.8526 3 1626.9097612  595161404765026 4    764927 4      C-13-H3C(O)CH3
  236536.0634  0.2941 -6.4513 3 1621.6031C40  595161404774334 1    774235 1      C-13-H3C(O)CH3
  236537.9878  0.1545 -5.8133 3 1248.0346A64  595161404664621 1    664522 1      C-13-H3C(O)CH3
  236548.1258  0.0122 -6.5045 3  116.8539328  5951614042016 5 2    2013 8 2      C-13-H3C(O)CH3
  236548.3801  0.0210 -5.4163 3  618.1666356  5951614044440 5 3    4439 6 3      C-13-H3C(O)CH3
  236585.2591  0.6295 -6.6283 3 1626.8622C24  595161404765027 1    764928 1      C-13-H3C(O)CH3
  236601.2547  0.3574 -6.4511 3 1621.6082C40  595161404774334 2    774235 2      C-13-H3C(O)CH3
  236612.7166  0.0221 -5.4145 3  736.8612396  5951614044941 9 4    494010 4      C-13-H3C(O)CH3
  236620.2501  0.1379 -5.8131 3 1248.0330A64  595161404664621 2    664522 2      C-13-H3C(O)CH3
  236624.2438  0.0037 -4.4759 3  451.9641696 -595161404431528 0    431429 0      C-13-H3C(O)CH3
  236624.2438  0.0037 -4.4770 3  451.9641696 -595161404431628 0    431529 0      C-13-H3C(O)CH3
  236624.2686  0.0037 -7.0422 3  451.9641696  595161404431528 0    431529 0      C-13-H3C(O)CH3
  236626.6374  0.5356 -6.5649 3 1626.8410C24  595161404765027 2    764928 2      C-13-H3C(O)CH3
  236628.7049  0.0171 -5.1136 3  736.8579792  5951614044941 9 2    494010 2      C-13-H3C(O)CH3
  236630.2325  0.2968 -6.4509 3 1621.6010C40  595161404774334 0    774235 0      C-13-H3C(O)CH3
  236631.7375  0.0222 -5.4145 3  736.8684396  5951614044941 9 3    494010 3      C-13-H3C(O)CH3
  236638.4180  0.0046 -4.4759 3  451.9346696 -595161404431528 2    431429 2      C-13-H3C(O)CH3
  236638.4180  0.0046 -4.4766 3  451.9346696 -595161404431628 2    431529 2      C-13-H3C(O)CH3
  236638.4368  0.0046 -7.1267 3  451.9346696  595161404431528 2    431529 2      C-13-H3C(O)CH3
  236640.1075  0.1299 -6.1171 3 1248.0817532  595161404664621 3    664522 3      C-13-H3C(O)CH3
  236642.2558  0.0045 -4.4757 3  451.9358696 -595161404431528 1    431429 1      C-13-H3C(O)CH3
  236642.2558  0.0045 -4.4762 3  451.9358696 -595161404431628 1    431529 1      C-13-H3C(O)CH3
  236645.5232  0.0161 -5.1154 3  618.2044712  5951614044440 4 1    4439 5 1      C-13-H3C(O)CH3
  236648.7502  0.0172 -5.1136 3  736.8651792  5951614044941 8 2    4940 9 2      C-13-H3C(O)CH3
  236652.4641  0.0067 -7.0313 3   46.3157232  59516140414 6 8 2    14 311 2      C-13-H3C(O)CH3
  236656.5249  0.0048 -4.7768 3  451.9063348 -595161404431528 4    431429 4      C-13-H3C(O)CH3
  236656.5249  0.0048 -4.7766 3  451.9063348 -595161404431628 4    431529 4      C-13-H3C(O)CH3
  236656.5249  0.0048 -4.7768 3  451.9063348 -595161404431528 3    431429 3      C-13-H3C(O)CH3
  236656.5249  0.0048 -4.7768 3  451.9063348 -595161404431628 3    431529 3      C-13-H3C(O)CH3
  236666.8696  0.1169 -6.1170 3 1248.0843532  595161404664620 3    664521 3      C-13-H3C(O)CH3
  236678.0097  0.0212 -5.4145 3  736.8846396  5951614044941 8 3    4940 9 3      C-13-H3C(O)CH3
  236683.0186  0.0104 -5.4648 3  134.7478180  5951614042215 8 4    2116 6 4      C-13-H3C(O)CH3
  236686.8605  0.0066 -7.0327 3   46.3164232  59516140414 6 8 1    14 311 1      C-13-H3C(O)CH3
  236693.2600  0.0210 -5.4162 3  618.2139356  5951614044440 4 4    4439 5 4      C-13-H3C(O)CH3
  236697.5647  0.0221 -5.4145 3  736.8917396  5951614044941 8 4    4940 9 4      C-13-H3C(O)CH3
  236712.2483  0.0170 -6.2119 3  166.4046392  5951614042418 6 1    2415 9 1      C-13-H3C(O)CH3
  236715.1698  0.0161 -6.8886 3  116.8659164  5951614042016 4 3    2013 8 3      C-13-H3C(O)CH3
  236722.2715  0.0190 -5.7770 3  121.7837172  5951614042114 7 4    2015 6 4      C-13-H3C(O)CH3
  236738.8961  0.0182 -5.1133 3  736.8447792  5951614044941 9 1    494010 1      C-13-H3C(O)CH3
  236755.1809  0.0160 -5.1134 3  736.8414792  5951614044941 9 0    494010 0      C-13-H3C(O)CH3
  236755.1809  0.0160 -5.1134 3  736.8414792  5951614044941 8 0    4940 9 0      C-13-H3C(O)CH3
  236787.0070  0.0122 -6.8209 3  480.2529348  595161404431924 4    422221 4      C-13-H3C(O)CH3
  236787.1035  0.0122 -6.8209 3  480.2530348  595161404431924 3    422221 3      C-13-H3C(O)CH3
  236789.9492  0.1529 -5.8125 3 1247.9998A64  595161404664620 0    664521 0      C-13-H3C(O)CH3
  236794.0832  0.0113 -6.5208 3  480.2786696  595161404431924 1    422221 1      C-13-H3C(O)CH3
  236802.6073  0.1528 -5.8124 3 1247.9993A64  595161404664621 0    664522 0      C-13-H3C(O)CH3
  236805.0938  0.0176 -5.1133 3  736.8681792  5951614044941 8 1    4940 9 1      C-13-H3C(O)CH3
  236833.9702  0.0121 -6.5187 3  480.2751696  595161404431924 2    422221 2      C-13-H3C(O)CH3
  236836.6029  0.0123 -6.8207 3  480.2513348  595161404432024 4    422121 4      C-13-H3C(O)CH3
  236836.8300  0.0123 -6.8207 3  480.2513348  595161404432024 3    422121 3      C-13-H3C(O)CH3
  236838.6579  0.0152 -7.1662 3   78.7245264  5951614041615 2 1    1612 5 1      C-13-H3C(O)CH3
  236840.7300  0.0097 -6.5196 3  480.3007696  595161404431924 0    422221 0      C-13-H3C(O)CH3
  236841.1695  0.0113 -6.5206 3  480.2770696  595161404432024 1    422121 1      C-13-H3C(O)CH3
  236843.2251  0.3856 -6.4867 3 1626.8320C24  595161404765027 0    764928 0      C-13-H3C(O)CH3
  236843.3775  0.1500 -5.8125 3 1248.0508A64  595161404664620 1    664521 1      C-13-H3C(O)CH3
  236850.2751  0.3591 -6.7885 3 1626.8734612  595161404765027 3    764928 3      C-13-H3C(O)CH3
  236862.1059  0.3589 -6.7868 3 1799.1914D04  595161404814735 2    814636 2      C-13-H3C(O)CH3
  236862.2319  0.3504 -7.0879 3 1799.1881652  595161404814735 3    814636 3      C-13-H3C(O)CH3
  236862.3612  0.3518 -7.0879 3 1799.1881652  595161404814735 4    814636 4      C-13-H3C(O)CH3
  236873.5858  0.3903 -6.7868 3 1799.1903D04  595161404814735 0    814636 0      C-13-H3C(O)CH3
  236874.2345  0.3865 -6.7868 3 1799.1869D04  595161404814735 1    814636 1      C-13-H3C(O)CH3
  236881.3415  0.0074 -5.4781 3   24.4309168  59516140410 8 3 0     9 5 4 0      C-13-H3C(O)CH3
  236882.4028  0.0121 -6.5185 3  480.2735696  595161404432024 2    422121 2      C-13-H3C(O)CH3
  236886.6066  0.0097 -6.5194 3  480.2992696  595161404432024 0    422121 0      C-13-H3C(O)CH3
  236894.0798  0.0244 -5.1878 3  927.6899952  595161404592930 0    592831 0      C-13-H3C(O)CH3
  236894.8252  0.0245 -5.1878 3  927.6899952  595161404593030 0    592931 0      C-13-H3C(O)CH3
  236897.5692  0.1385 -5.8124 3 1248.0467A64  595161404664620 2    664521 2      C-13-H3C(O)CH3
  236899.2751  0.0258 -5.1877 3  927.6983952  595161404592930 1    592831 1      C-13-H3C(O)CH3
  236900.1141  0.0258 -5.1877 3  927.6983952  595161404593030 1    592931 1      C-13-H3C(O)CH3
  236902.1082  0.0315 -5.1877 3  927.6991952  595161404592930 2    592831 2      C-13-H3C(O)CH3
  236902.9210  0.0315 -5.1877 3  927.6991952  595161404593030 2    592931 2      C-13-H3C(O)CH3
  236907.3239  0.0324 -5.4886 3  927.7075476  595161404592930 3    592831 3      C-13-H3C(O)CH3
  236907.3942  0.0325 -5.4886 3  927.7076476  595161404592930 4    592831 4      C-13-H3C(O)CH3
  236908.2385  0.0323 -5.4886 3  927.7076476  595161404593030 3    592931 3      C-13-H3C(O)CH3
  236908.3049  0.0325 -5.4886 3  927.7076476  595161404593030 4    592931 4      C-13-H3C(O)CH3
  236912.5641  0.0593 -5.7912 3 1048.8503484  595161404604417 4    604318 4      C-13-H3C(O)CH3
  236915.0457  0.0235 -6.5116 3  166.4034196  5951614042418 6 4    2415 9 4      C-13-H3C(O)CH3
  236944.3159  0.1324 -6.1134 3 1248.0980532  595161404664620 4    664521 4      C-13-H3C(O)CH3
  236960.5230  0.0144 -7.1708 3   78.7327264  5951614041615 2 2    1612 5 2      C-13-H3C(O)CH3
  236963.8958  0.0131 -5.9482 3  166.3953392  5951614042418 6 0    2415 9 0      C-13-H3C(O)CH3
  236984.4329  0.0065 -7.0271 3   46.2623232  59516140414 6 8 0    14 311 0      C-13-H3C(O)CH3
  236998.8663  0.0066 -7.0304 3   46.3157232  59516140414 7 8 2    14 411 2      C-13-H3C(O)CH3
  237025.9755  0.0065 -7.0318 3   46.3164232  59516140414 7 8 1    14 411 1      C-13-H3C(O)CH3
  237027.1497  0.0870 -5.9446 3 1146.1269508  595161404634519 4    634420 4      C-13-H3C(O)CH3
  237033.6119  0.0302 -5.5110 3  842.4761428  595161404534211 4    534112 4      C-13-H3C(O)CH3
  237050.1292  0.0270 -5.5108 3  842.4689428  595161404534212 3    534113 3      C-13-H3C(O)CH3
  237059.6627  0.1192 -6.1375 3 1292.8055556  595161404693732 4    693633 4      C-13-H3C(O)CH3
  237059.6753  0.1192 -6.1375 3 1292.8055556  595161404693732 3    693633 3      C-13-H3C(O)CH3
  237061.5742  0.0152 -7.1717 3   78.7981264  5951614041615 1 1    1612 4 1      C-13-H3C(O)CH3
  237091.8909  0.0544 -5.7909 3 1048.8616484  595161404604417 3    604317 3      C-13-H3C(O)CH3
  237093.0756  0.0223 -5.2098 3  842.4468856  595161404534212 2    534113 2      C-13-H3C(O)CH3
  237098.2165  0.1069 -5.8363 3 1292.7892B12  595161404693732 1    693633 1      C-13-H3C(O)CH3
  237113.6667  0.1194 -5.8363 3 1292.7926B12  595161404693732 2    693633 2      C-13-H3C(O)CH3
  237116.1870  0.0542 -5.4896 3 1048.8161968  595161404604417 2    604318 2      C-13-H3C(O)CH3
  237132.4506  0.0536 -5.4895 3 1048.8095968  595161404604417 1    604318 1      C-13-H3C(O)CH3
  237138.2766  0.0273 -5.5107 3  842.4790428  595161404534211 3    534112 3      C-13-H3C(O)CH3
  237144.0198  0.0170 -6.2159 3  166.3937392  5951614042418 6 2    2415 9 2      C-13-H3C(O)CH3
  237152.0235  0.1069 -5.8361 3 1292.7763B12  595161404693732 0    693633 0      C-13-H3C(O)CH3
  237154.5569  0.0254 -5.5105 3  842.4717428  595161404534212 4    534113 4      C-13-H3C(O)CH3
  237162.8673  0.0487 -5.7908 3 1048.8614484  595161404604416 3    604318 3      C-13-H3C(O)CH3
  237171.2345  0.1140 -6.1371 3 1292.8061556  595161404693832 4    693733 4      C-13-H3C(O)CH3
  237171.3347  0.1138 -6.1371 3 1292.8061556  595161404693832 3    693733 3      C-13-H3C(O)CH3
  237196.9081  0.0209 -5.2095 3  842.4497856  595161404534211 2    534112 2      C-13-H3C(O)CH3
  237206.4947  0.1068 -5.8359 3 1292.7898B12  595161404693832 1    693733 1      C-13-H3C(O)CH3
  237217.0413  0.0220 -5.2095 3  842.4426856  595161404534211 1    534112 1      C-13-H3C(O)CH3
  237217.3624  0.1139 -5.8359 3 1292.7931B12  595161404693832 2    693733 2      C-13-H3C(O)CH3
  237228.6273  0.0077 -4.8180 3  702.4899840  595161404522329 0    522230 0      C-13-H3C(O)CH3
  237228.6317  0.0077 -4.8180 3  702.4899840  595161404522429 0    522330 0      C-13-H3C(O)CH3
  237232.4456  0.0937 -5.6429 3 1146.0883A16  595161404634519 1    634420 1      C-13-H3C(O)CH3
  237232.9345  0.0198 -5.2093 3  842.4354856  595161404534212 1    534113 1      C-13-H3C(O)CH3
  237246.2721  0.7303 -7.0432 3 1626.8622C24  595161404765026 1    764928 1      C-13-H3C(O)CH3
  237252.5375  0.1068 -5.8358 3 1292.7768B12  595161404693832 0    693733 0      C-13-H3C(O)CH3
  237267.3650  0.0879 -5.6429 3 1146.0919A16  595161404634519 2    634420 2      C-13-H3C(O)CH3
  237271.2625  0.0780 -5.9440 3 1146.1421508  595161404634518 3    634419 3      C-13-H3C(O)CH3
  237272.2126  0.0116 -4.8177 3  702.4803840  595161404522329 2    522230 2      C-13-H3C(O)CH3
  237272.2177  0.0116 -4.8177 3  702.4803840  595161404522429 2    522330 2      C-13-H3C(O)CH3
  237273.0289  0.0087 -4.8177 3  702.4809840  595161404522329 1    522230 1      C-13-H3C(O)CH3
  237273.0341  0.0087 -4.8177 3  702.4809840  595161404522429 1    522330 1      C-13-H3C(O)CH3
  237275.4762  0.0189 -5.2093 3  842.4133856  595161404534211 0    534112 0      C-13-H3C(O)CH3
  237275.4766  0.0189 -5.2093 3  842.4133856  595161404534212 0    534113 0      C-13-H3C(O)CH3
  237301.6236  0.0754 -5.9440 3 1146.1397508  595161404634519 3    634420 3      C-13-H3C(O)CH3
  237311.3788  0.0599 -5.4891 3 1048.8208968  595161404604416 1    604317 1      C-13-H3C(O)CH3
  237316.6888  0.0118 -5.1185 3  702.4712420  595161404522329 3    522230 3      C-13-H3C(O)CH3
  237316.6947  0.0118 -5.1185 3  702.4712420  595161404522429 3    522330 3      C-13-H3C(O)CH3
  237316.7986  0.0119 -5.1185 3  702.4712420  595161404522329 4    522230 4      C-13-H3C(O)CH3
  237316.8045  0.0119 -5.1185 3  702.4712420  595161404522429 4    522330 4      C-13-H3C(O)CH3
  237335.5172  0.0576 -5.4889 3 1048.7754968  595161404604416 0    604317 0      C-13-H3C(O)CH3
  237335.7679  0.0576 -5.4889 3 1048.7754968  595161404604417 0    604318 0      C-13-H3C(O)CH3
  237336.2474  0.0064 -7.0262 3   46.2623232  59516140414 7 8 0    14 411 0      C-13-H3C(O)CH3
  237341.3756  0.0526 -5.7901 3 1048.8727484  595161404604416 4    604317 4      C-13-H3C(O)CH3
  237365.9213  0.0530 -5.4890 3 1048.8273968  595161404604416 2    604317 2      C-13-H3C(O)CH3
  237367.3448  0.2620 -6.4335 3 1430.9447572  595161404714824 4    714725 4      C-13-H3C(O)CH3
  237380.3351  0.0036 -5.5718 3  426.1307680 -595161404421528 0    421429 0      C-13-H3C(O)CH3
  237380.3351  0.0036 -5.5672 3  426.1307680 -595161404421428 0    421329 0      C-13-H3C(O)CH3
  237380.4194  0.0036 -4.4811 3  426.1307680  595161404421528 0    421329 0      C-13-H3C(O)CH3
  237380.4194  0.0036 -4.4815 3  426.1307680  595161404421428 0    421429 0      C-13-H3C(O)CH3
  237381.3022  0.0044 -5.9018 3  426.1013680  595161404421428 2    421429 2      C-13-H3C(O)CH3
  237381.3022  0.0044 -5.9043 3  426.1013680  595161404421528 2    421329 2      C-13-H3C(O)CH3
  237381.3378  0.0044 -4.4627 3  426.1013680 -595161404421428 2    421329 2      C-13-H3C(O)CH3
  237381.3378  0.0044 -4.4626 3  426.1013680 -595161404421528 2    421429 2      C-13-H3C(O)CH3
  237385.2149  0.0044 -5.7045 3  426.1024680 -595161404421528 1    421429 1      C-13-H3C(O)CH3
  237385.2149  0.0044 -5.7372 3  426.1024680 -595161404421428 1    421329 1      C-13-H3C(O)CH3
  237385.3214  0.0044 -4.4701 3  426.1024680  595161404421428 1    421429 1      C-13-H3C(O)CH3
  237385.3214  0.0044 -4.4719 3  426.1024680  595161404421528 1    421329 1      C-13-H3C(O)CH3
  237386.1099  0.0046 -6.1264 3  426.0729340  595161404421428 4    421429 4      C-13-H3C(O)CH3
  237386.1099  0.0046 -6.1269 3  426.0729340  595161404421528 4    421329 4      C-13-H3C(O)CH3
  237386.1817  0.0046 -4.7667 3  426.0729340 -595161404421528 4    421429 4      C-13-H3C(O)CH3
  237386.1817  0.0045 -4.7490 3  426.0729340 -595161404421528 3    421429 3      C-13-H3C(O)CH3
  237386.1817  0.0045 -4.7490 3  426.0729340 -595161404421428 3    421329 3      C-13-H3C(O)CH3
  237386.1817  0.0046 -4.7667 3  426.0729340 -595161404421428 4    421329 4      C-13-H3C(O)CH3
  237408.0011  0.0144 -7.1759 3   78.7971264  5951614041615 1 2    1612 4 2      C-13-H3C(O)CH3
  237444.3490  0.0078 -6.7098 3  148.6936376  5951614042316 7 1    231311 1      C-13-H3C(O)CH3
  237471.5338  0.0983 -5.6422 3 1146.0535A16  595161404634518 0    634419 0      C-13-H3C(O)CH3
  237473.4549  0.0983 -5.6422 3 1146.0535A16  595161404634519 0    634420 0      C-13-H3C(O)CH3
  237476.3492  0.0989 -5.6423 3 1146.1036A16  595161404634518 1    634419 1      C-13-H3C(O)CH3
  237478.9457  0.0195 -5.1632 3  597.4779696  5951614044340 4 2    4339 5 2      C-13-H3C(O)CH3
  237483.7198  0.0213 -7.0685 3  717.9615856  595161404532231 1    522528 1      C-13-H3C(O)CH3
  237483.7935  0.0213 -7.0685 3  717.9615856  595161404532331 1    522428 1      C-13-H3C(O)CH3
  237490.6495  0.0244 -7.0673 3  717.9609856  595161404532231 2    522528 2      C-13-H3C(O)CH3
  237490.7230  0.0244 -7.0673 3  717.9609856  595161404532331 2    522428 2      C-13-H3C(O)CH3
  237497.8364  0.2964 -6.1373 3 1430.9254B44  595161404714824 1    714725 1      C-13-H3C(O)CH3
  237507.6024  0.0074 -6.8814 3  148.6894376  5951614042316 7 2    231311 2      C-13-H3C(O)CH3
  237519.5244  0.0170 -7.0687 3  717.9678856  595161404532231 0    522528 0      C-13-H3C(O)CH3
  237519.5897  0.0170 -7.0687 3  717.9678856  595161404532331 0    522428 0      C-13-H3C(O)CH3
  237541.4912  0.0868 -5.6422 3 1146.1049A16  595161404634518 2    634419 2      C-13-H3C(O)CH3
  237544.9144  0.0820 -5.9433 3 1146.1551508  595161404634518 4    634419 4      C-13-H3C(O)CH3
  237549.7879  0.4309 -6.6764 3 1430.9630572  595161404714824 3    714724 3      C-13-H3C(O)CH3
  237559.2454  0.0261 -5.4638 3  597.4516348  5951614044340 4 4    4339 5 4      C-13-H3C(O)CH3
  237594.0426  0.0147 -7.1631 3   78.7552264  5951614041615 1 0    1612 4 0      C-13-H3C(O)CH3
  237609.4430  0.1985 -6.4319 3 1452.8039588  595161404734033 4    733934 4      C-13-H3C(O)CH3
  237609.4574  0.1987 -6.4319 3 1452.8038588  595161404734033 3    733934 3      C-13-H3C(O)CH3
  237622.0933  0.0174 -5.1631 3  597.5046696  5951614044340 3 0    4339 5 0      C-13-H3C(O)CH3
  237622.0933  0.0174 -5.1631 3  597.5046696  5951614044340 4 0    4339 4 0      C-13-H3C(O)CH3
  237631.1526  0.2546 -6.1357 3 1430.9131B44  595161404714824 2    714725 2      C-13-H3C(O)CH3
  237650.1389  0.7740 -6.7967 3 1430.9630572  595161404714823 3    714724 3      C-13-H3C(O)CH3
  237650.4802  0.1747 -6.1307 3 1452.7911B76  595161404734033 1    733934 1      C-13-H3C(O)CH3
  237661.9633  0.0101 -5.3141 3  166.3697392  5951614042418 7 0    2319 4 0      C-13-H3C(O)CH3
  237680.9250  0.2005 -6.1306 3 1452.7953B76  595161404734033 2    733934 2      C-13-H3C(O)CH3
  237682.3791  0.7142 -6.7965 3 1430.9585572  595161404714824 3    714725 3      C-13-H3C(O)CH3
  237693.7044  0.2643 -6.1299 3 1430.8965B44  595161404714823 0    714724 0      C-13-H3C(O)CH3
  237702.3903  0.0204 -5.1627 3  597.4783696  5951614044340 4 1    4339 5 1      C-13-H3C(O)CH3
  237704.7233  0.0071 -5.9619 3   24.4939168  59516140410 8 2 1     9 5 4 1      C-13-H3C(O)CH3
  237705.3712  0.0111 -6.7696 3  148.6948188  5951614042316 7 4    231311 4      C-13-H3C(O)CH3
  237711.3631  0.0236 -5.4636 3  597.5051348  5951614044340 3 3    4339 4 3      C-13-H3C(O)CH3
  237717.0673  0.5344 -6.9463 3 1710.4790628  595161404785127 3    785028 3      C-13-H3C(O)CH3
  237719.3407  0.0134 -5.4577 3  134.8659180  5951614042215 7 4    2116 5 4      C-13-H3C(O)CH3
  237720.2628  0.0191 -5.1627 3  597.5120696  5951614044340 3 2    4339 4 2      C-13-H3C(O)CH3
  237721.7162  0.1754 -6.1304 3 1452.7826B76  595161404734033 0    733934 0      C-13-H3C(O)CH3
  237731.7360  0.0102 -5.3139 3  166.3696392  5951614042418 6 0    2319 5 0      C-13-H3C(O)CH3
  237733.9476  0.0015 -4.2553 3   78.1360148 -59516140418 711 3    17 810 3      C-13-H3C(O)CH3
  237733.9476  0.0016 -4.2553 3   78.1361148 -59516140418 711 4    17 810 4      C-13-H3C(O)CH3
  237740.9050  0.4760 -6.6408 3 1710.4459C56  595161404785127 0    785028 0      C-13-H3C(O)CH3
  237757.5302  0.0096 -4.6702 3   45.0719216 -5951614041310 4 1    12 9 3 1      C-13-H3C(O)CH3
  237762.5259  0.0072 -5.9852 3   24.4910168  59516140410 8 2 2     9 5 4 2      C-13-H3C(O)CH3
  237782.7301  0.4642 -6.6757 3 1430.9585572  595161404714823 3    714725 3      C-13-H3C(O)CH3
  237799.7109  0.0239 -5.4634 3  597.4857348  5951614044340 4 3    4339 5 3      C-13-H3C(O)CH3
  237800.2795  0.0089 -5.3131 3  166.3718392  5951614042418 6 2    2319 4 2      C-13-H3C(O)CH3
  237805.8812  0.2626 -6.1295 3 1430.8922B44  595161404714824 0    714725 0      C-13-H3C(O)CH3
  237808.2947  0.0016 -4.2550 3   78.1340148 -59516140418 811 4    17 710 4      C-13-H3C(O)CH3
  237808.8545  0.0015 -4.2550 3   78.1340148 -59516140418 811 3    17 710 3      C-13-H3C(O)CH3
  237821.0257  0.0016 -3.9542 3   78.1053296 -59516140418 711 1    17 810 1      C-13-H3C(O)CH3
  237824.1597  0.0016 -3.9545 3   78.1034296 -59516140418 711 2    17 810 2      C-13-H3C(O)CH3
  237849.3658  0.2711 -6.1352 3 1430.9303B44  595161404714823 2    714724 2      C-13-H3C(O)CH3
  237852.9795  0.2626 -6.1364 3 1430.9413B44  595161404714823 1    714724 1      C-13-H3C(O)CH3
  237855.7432  0.0189 -5.1625 3  597.5318696  5951614044340 3 1    4339 4 1      C-13-H3C(O)CH3
  237859.6626  0.0101 -5.2551 3  134.8477360  5951614042215 7 2    2116 5 2      C-13-H3C(O)CH3
  237869.8619  0.2586 -6.7477 3 1621.6191620  595161404774434 4    774335 4      C-13-H3C(O)CH3
  237869.9568  0.2579 -6.7477 3 1621.6191620  595161404774434 3    774335 3      C-13-H3C(O)CH3
  237894.7098  0.2612 -6.4465 3 1621.6118C40  595161404774434 1    774335 1      C-13-H3C(O)CH3
  237896.6383  0.0016 -3.9539 3   78.1032296 -59516140418 811 1    17 710 1      C-13-H3C(O)CH3
  237901.3659  0.0109 -5.9007 3  179.2069212  595161404261413 4    251510 4      C-13-H3C(O)CH3
  237901.9606  0.0016 -3.9541 3   78.1013296 -59516140418 811 2    17 710 2      C-13-H3C(O)CH3
  237903.6201  0.2596 -6.4465 3 1621.6164C40  595161404774434 2    774335 2      C-13-H3C(O)CH3
  237907.4481  0.0623 -5.7926 3 1103.2579516  595161404643331 3    643232 3      C-13-H3C(O)CH3
  237907.4637  0.0624 -5.7926 3 1103.2579516  595161404643331 4    643232 4      C-13-H3C(O)CH3
  237907.8806  0.0087 -5.9008 3  179.2067212  595161404261413 3    251510 3      C-13-H3C(O)CH3
  237911.0322  0.0016 -3.9543 3   78.0728296 -59516140418 711 0    17 810 0      C-13-H3C(O)CH3
  237918.8431  0.0619 -5.7926 3 1103.2580516  595161404643431 4    643332 4      C-13-H3C(O)CH3
  237918.8516  0.0618 -5.7926 3 1103.2580516  595161404643431 3    643332 3      C-13-H3C(O)CH3
  237926.8615  0.0543 -5.4915 3 1103.2419A32  595161404643331 1    643232 1      C-13-H3C(O)CH3
  237926.8683  0.0100 -6.2453 3  116.8450328  5951614042016 5 0    2013 8 0      C-13-H3C(O)CH3
  237927.9928  0.5436 -6.7233 3 1710.4536C56  595161404785127 2    785028 2      C-13-H3C(O)CH3
  237928.2519  0.2621 -6.4464 3 1621.6092C40  595161404774434 0    774335 0      C-13-H3C(O)CH3
  237933.6356  0.0615 -5.4915 3 1103.2439A32  595161404643331 2    643232 2      C-13-H3C(O)CH3
  237937.6405  0.0544 -5.4915 3 1103.2419A32  595161404643431 1    643332 1      C-13-H3C(O)CH3
  237943.9843  0.0610 -5.4915 3 1103.2439A32  595161404643431 2    643332 2      C-13-H3C(O)CH3
  237952.9963  0.0536 -5.4915 3 1103.2279A32  595161404643331 0    643232 0      C-13-H3C(O)CH3
  237953.0197  0.6529 -6.7769 3 1710.4727C56  595161404785127 1    785028 1      C-13-H3C(O)CH3
  237953.9564  0.0250 -5.4632 3  597.5391348  5951614044340 3 4    4339 4 4      C-13-H3C(O)CH3
  237962.7735  0.0536 -5.4915 3 1103.2279A32  595161404643431 0    643332 0      C-13-H3C(O)CH3
  237964.6122  0.2804 -6.4320 3 1430.9769572  595161404714823 4    714724 4      C-13-H3C(O)CH3
  237989.7905  0.0015 -3.9540 3   78.0706296 -59516140418 811 0    17 710 0      C-13-H3C(O)CH3
  237995.5073  0.0059 -5.5507 3  140.7562188  595161404231311 4    2214 8 4      C-13-H3C(O)CH3
  237999.6577  0.0116 -5.3444 3  362.6991584  595161404362313 0    362016 0      C-13-H3C(O)CH3
  238004.5992  0.0104 -4.5998 3   45.0704216 -5951614041310 4 2    12 9 3 2      C-13-H3C(O)CH3
  238006.9666  0.0048 -4.2775 3   74.7285280 -59516140417 9 8 2    1610 7 2      C-13-H3C(O)CH3
  238015.9320  0.0041 -4.2786 3   74.7001280 -59516140417 9 8 0    1610 7 0      C-13-H3C(O)CH3
  238017.5897  0.1757 -6.4304 3 1452.8062588  595161404734133 4    734034 4      C-13-H3C(O)CH3
  238017.7268  0.1753 -6.4304 3 1452.8062588  595161404734133 3    734034 3      C-13-H3C(O)CH3
  238025.0365  0.0101 -5.2226 3  134.8450360  5951614042215 7 1    2116 5 1      C-13-H3C(O)CH3
  238025.5582  0.0169 -7.0051 3  107.2763312  5951614041916 4 1    1913 6 1      C-13-H3C(O)CH3
  238025.9144  0.0096 -5.3123 3  166.3608392  5951614042418 6 1    2319 4 1      C-13-H3C(O)CH3
  238027.9901  0.0077 -5.5983 3  179.2117424  595161404261413 1    251510 1      C-13-H3C(O)CH3
  238045.4754  0.0086 -5.5490 3  140.7546188  595161404231311 3    2214 8 3      C-13-H3C(O)CH3
  238052.5697  0.1703 -6.1293 3 1452.7934B76  595161404734133 1    734034 1      C-13-H3C(O)CH3
  238060.4245  0.0044 -4.7523 3  400.8227332  595161404411328 4    411229 4      C-13-H3C(O)CH3
  238060.4245  0.0044 -5.9116 3  400.8227332  595161404411328 4    411329 4      C-13-H3C(O)CH3
  238060.4245  0.0044 -4.7599 3  400.8227332  595161404411428 4    411329 4      C-13-H3C(O)CH3
  238060.4245  0.0044 -5.8154 3  400.8227332  595161404411428 4    411229 4      C-13-H3C(O)CH3
  238060.5721  0.0043 -4.7296 3  400.8227332  595161404411328 3    411229 3      C-13-H3C(O)CH3
  238060.5721  0.0043 -4.7264 3  400.8227332  595161404411428 3    411329 3      C-13-H3C(O)CH3
  238060.5721  0.0043 -6.5613 3  400.8227332  595161404411328 3    411329 3      C-13-H3C(O)CH3
  238060.5721  0.0043 -6.8628 3  400.8227332  595161404411428 3    411229 3      C-13-H3C(O)CH3
  238065.6095  0.1762 -6.1293 3 1452.7975B76  595161404734133 2    734034 2      C-13-H3C(O)CH3
  238066.4742  0.0127 -5.3448 3  362.6780584  595161404362313 1    362016 1      C-13-H3C(O)CH3
  238071.6163  0.0043 -6.0532 3  400.8504664  595161404411328 2    411329 2      C-13-H3C(O)CH3
  238071.6163  0.0043 -6.1257 3  400.8504664  595161404411428 2    411229 2      C-13-H3C(O)CH3
  238071.6164  0.0043 -4.4324 3  400.8504664 -595161404411328 2    411229 2      C-13-H3C(O)CH3
  238071.6164  0.0043 -4.4308 3  400.8504664 -595161404411428 2    411329 2      C-13-H3C(O)CH3
  238075.6446  0.0043 -6.7210 3  400.8515664 -595161404411428 1    411329 1      C-13-H3C(O)CH3
  238075.6446  0.0043 -6.7302 3  400.8515664 -595161404411328 1    411229 1      C-13-H3C(O)CH3
  238075.6993  0.0043 -4.4244 3  400.8515664  595161404411428 1    411229 1      C-13-H3C(O)CH3
  238075.6993  0.0043 -4.4243 3  400.8515664  595161404411328 1    411329 1      C-13-H3C(O)CH3
  238077.6362  0.0047 -4.5751 3   74.7595140 -59516140417 9 8 3    1610 7 3      C-13-H3C(O)CH3
  238086.6706  0.0035 -6.9521 3  400.8791664 -595161404411328 0    411229 0      C-13-H3C(O)CH3
  238086.6706  0.0035 -6.2927 3  400.8791664 -595161404411428 0    411329 0      C-13-H3C(O)CH3
  238086.7335  0.0035 -4.4234 3  400.8791664  595161404411328 0    411329 0      C-13-H3C(O)CH3
  238086.7335  0.0035 -4.4281 3  400.8791664  595161404411428 0    411229 0      C-13-H3C(O)CH3
  238091.6151  0.0095 -5.3123 3  166.3207392  5951614042418 7 2    2319 5 2      C-13-H3C(O)CH3
  238100.4627  0.1708 -6.1291 3 1452.7847B76  595161404734133 0    734034 0      C-13-H3C(O)CH3
  238101.2963  0.0095 -5.3129 3  166.3061392  5951614042418 7 1    2319 5 1      C-13-H3C(O)CH3
  238128.1911  0.0073 -6.1746 3   24.5550 84  59516140410 8 2 4     9 5 4 4      C-13-H3C(O)CH3
  238129.7350  0.0045 -4.2754 3   74.7300280 -59516140417 9 8 1    1610 7 1      C-13-H3C(O)CH3
  238129.8720  0.0130 -5.6119 3  166.3629196  5951614042418 6 4    2319 4 4      C-13-H3C(O)CH3
  238160.2184  0.0060 -5.2459 3  140.7494376  595161404231311 1    2214 8 1      C-13-H3C(O)CH3
  238165.4951  0.0052 -4.5754 3   74.7574140 -59516140417 9 8 4    1610 7 4      C-13-H3C(O)CH3
  238168.6725  0.0145 -7.1615 3   78.7361264  5951614041615 2 0    1612 5 0      C-13-H3C(O)CH3
  238175.4431  0.0141 -6.6054 3  116.8546328  5951614042016 4 1    2013 8 1      C-13-H3C(O)CH3
  238183.4107  0.6384 -7.0267 3 1710.4816628  595161404785127 4    785028 4      C-13-H3C(O)CH3
  238200.5806  0.0101 -5.6180 3  166.3081196  5951614042418 7 3    2319 5 3      C-13-H3C(O)CH3
  238214.1240  0.0123 -5.3447 3  362.6677584  595161404362313 2    362016 2      C-13-H3C(O)CH3
  238238.9557  0.0164 -5.1091 3  713.6720776  5951614044841 8 2    4840 9 2      C-13-H3C(O)CH3
  238239.1153  0.0219 -5.4100 3  713.6702388  5951614044841 8 4    4840 9 4      C-13-H3C(O)CH3
  238267.0928  0.0052 -6.9487 3   18.2299 76  595161404 9 7 3 4     8 4 5 4      C-13-H3C(O)CH3
  238271.8517  0.0109 -5.6461 3  362.6467292  595161404362313 4    362016 4      C-13-H3C(O)CH3
  238280.5069  0.0150 -5.6461 3  362.6466292  595161404362313 3    362016 3      C-13-H3C(O)CH3
  238289.1401  0.0256 -6.4747 3  194.2225212  5951614042619 8 4    261610 4      C-13-H3C(O)CH3
  238290.5939  0.0063 -5.2402 3  140.7409376  595161404231311 2    2214 8 2      C-13-H3C(O)CH3
  238305.2392  0.0215 -5.4099 3  713.6809388  5951614044841 8 3    4840 9 3      C-13-H3C(O)CH3
  238306.1476  0.0164 -5.1090 3  713.6828776  5951614044841 7 2    4840 8 2      C-13-H3C(O)CH3
  238309.6501  0.0074 -5.5920 3  179.1979424  595161404261413 2    251510 2      C-13-H3C(O)CH3
  238325.4833  0.0201 -5.4099 3  713.6986388  5951614044841 7 3    4840 8 3      C-13-H3C(O)CH3
  238364.1510  0.0136 -6.5945 3  116.8539328  5951614042016 4 2    2013 8 2      C-13-H3C(O)CH3
  238376.8751  0.0177 -5.1088 3  713.6608776  5951614044841 8 1    4840 9 1      C-13-H3C(O)CH3
  238376.9186  0.0152 -5.1089 3  713.6626776  5951614044841 8 0    4840 9 0      C-13-H3C(O)CH3
  238376.9186  0.0152 -5.1089 3  713.6626776  5951614044841 7 0    4840 8 0      C-13-H3C(O)CH3
  238392.4790  0.0207 -5.4099 3  713.7092388  5951614044841 7 4    4840 8 4      C-13-H3C(O)CH3
  238405.7036  0.7643 -7.0254 3 1710.4299628  595161404785128 4    785029 4      C-13-H3C(O)CH3
  238414.2966  0.0079 -7.1607 3   63.1187248  5951614041512 3 0    15 7 8 0      C-13-H3C(O)CH3
  238418.5948  0.0078 -5.0576 3  134.8255360  5951614042215 7 0    2116 6 0      C-13-H3C(O)CH3
  238424.8954  0.0099 -5.6166 3  166.3117196  5951614042418 6 3    2319 4 3      C-13-H3C(O)CH3
  238427.2406  0.0040 -5.2374 3  140.7350376  595161404231311 0    2214 8 0      C-13-H3C(O)CH3
  238428.6590  0.0071 -5.5907 3  179.2029424  595161404261413 0    251510 0      C-13-H3C(O)CH3
  238464.2473  0.0163 -5.1087 3  713.6892776  5951614044841 7 1    4840 8 1      C-13-H3C(O)CH3
  238490.7473  0.0069 -4.7675 3  671.4462824  595161404512229 0    512130 0      C-13-H3C(O)CH3
  238490.7486  0.0069 -4.7675 3  671.4462824  595161404512329 0    512230 0      C-13-H3C(O)CH3
  238492.2015  0.0110 -5.6118 3  166.2570196  5951614042418 7 4    2319 5 4      C-13-H3C(O)CH3
  238493.6693  0.0016 -4.1641 3   82.9012156 -59516140419 613 4    18 712 4      C-13-H3C(O)CH3
  238493.6693  0.0016 -4.1641 3   82.9012156 -59516140419 613 3    18 712 3      C-13-H3C(O)CH3
  238494.4924  0.0016 -4.1641 3   82.9012156 -59516140419 713 3    18 612 3      C-13-H3C(O)CH3
  238494.4924  0.0016 -4.1641 3   82.9012156 -59516140419 713 4    18 612 4      C-13-H3C(O)CH3
  238514.9044  0.0164 -6.9642 3  107.2733312  5951614041916 4 2    1913 6 2      C-13-H3C(O)CH3
  238537.4801  0.0100 -4.7672 3  671.4333824  595161404512229 2    512130 2      C-13-H3C(O)CH3
  238537.4817  0.0100 -4.7672 3  671.4333824  595161404512329 2    512230 2      C-13-H3C(O)CH3
  238538.6719  0.0077 -4.7672 3  671.4339824  595161404512229 1    512130 1      C-13-H3C(O)CH3
  238538.6734  0.0077 -4.7672 3  671.4339824  595161404512329 1    512230 1      C-13-H3C(O)CH3
  238555.4364  0.0201 -7.1403 3  107.2836156  5951614041916 4 3    1913 6 3      C-13-H3C(O)CH3
  238567.0226  0.0231 -5.2396 3  577.2985680  5951614044240 3 2    4239 4 2      C-13-H3C(O)CH3
  238568.8056  0.0017 -3.8629 3   82.8697312 -59516140419 613 1    18 712 1      C-13-H3C(O)CH3
  238569.4931  0.0017 -3.8629 3   82.8697312 -59516140419 713 1    18 612 1      C-13-H3C(O)CH3
  238570.5622  0.0017 -3.8631 3   82.8684312 -59516140419 613 2    18 712 2      C-13-H3C(O)CH3
  238571.3603  0.0017 -3.8631 3   82.8684312 -59516140419 713 2    18 612 2      C-13-H3C(O)CH3
  238585.4832  0.0101 -5.0680 3  671.4210412  595161404512229 3    512130 3      C-13-H3C(O)CH3
  238585.4851  0.0101 -5.0680 3  671.4210412  595161404512329 3    512230 3      C-13-H3C(O)CH3
  238585.5880  0.0102 -5.0680 3  671.4210412  595161404512229 4    512130 4      C-13-H3C(O)CH3
  238585.5898  0.0102 -5.0680 3  671.4210412  595161404512329 4    512230 4      C-13-H3C(O)CH3
  238590.3898  0.0071 -6.2835 3  288.6142268  595161404331617 3    321914 3      C-13-H3C(O)CH3
  238592.0360  0.0073 -6.2835 3  288.6141268  595161404331617 4    321914 4      C-13-H3C(O)CH3
  238601.1131  0.0038 -4.0843 3   43.1999100  5951614041212 1 4    1111 1 4      C-13-H3C(O)CH3
  238643.6576  0.0072 -5.9823 3  288.6380536  595161404331617 1    321914 1      C-13-H3C(O)CH3
  238645.3483  0.0016 -3.8629 3   82.8371312 -59516140419 613 0    18 712 0      C-13-H3C(O)CH3
  238646.1527  0.0016 -3.8629 3   82.8370312 -59516140419 713 0    18 612 0      C-13-H3C(O)CH3
  238653.7025  0.0035 -4.0843 3   43.2838100  5951614041212 0 3    1111 0 3      C-13-H3C(O)CH3
  238656.6535  0.6814 -6.7205 3 1710.4045C56  595161404785128 2    785029 2      C-13-H3C(O)CH3
  238664.5811  0.7545 -6.7740 3 1710.4278C56  595161404785128 1    785029 1      C-13-H3C(O)CH3
  238675.5479  0.0202 -6.9530 3  116.8612164  5951614042016 4 4    2013 8 4      C-13-H3C(O)CH3
  238676.2870  0.0301 -5.5401 3  577.2681340  5951614044240 3 4    4239 4 4      C-13-H3C(O)CH3
  238679.3409  0.0036 -4.0841 3   43.2795100  5951614041212 1 3    1111 1 3      C-13-H3C(O)CH3
  238682.7832  0.0043 -5.5272 3  376.1572324  595161404401228 4    401229 4      C-13-H3C(O)CH3
  238682.7832  0.0043 -5.1375 3  376.1572324  595161404401328 4    401129 4      C-13-H3C(O)CH3
  238682.8382  0.0043 -4.7724 3  376.1572324 -595161404401228 4    401129 4      C-13-H3C(O)CH3
  238682.8382  0.0042 -4.7035 3  376.1573324 -595161404401328 3    401229 3      C-13-H3C(O)CH3
  238682.8382  0.0043 -4.9006 3  376.1572324 -595161404401328 4    401229 4      C-13-H3C(O)CH3
  238682.8382  0.0042 -4.7035 3  376.1573324 -595161404401228 3    401129 3      C-13-H3C(O)CH3
  238682.9669  0.0042 -7.1852 3  376.1573324  595161404401228 3    401229 3      C-13-H3C(O)CH3
  238682.9669  0.0042 -7.1852 3  376.1573324  595161404401328 3    401129 3      C-13-H3C(O)CH3
  238684.3329  0.0073 -5.9796 3  288.6323536  595161404331617 2    321914 2      C-13-H3C(O)CH3
  238698.1545  0.0201 -5.2396 3  577.3340680  5951614044240 3 0    4239 3 0      C-13-H3C(O)CH3
  238698.1545  0.0201 -5.2396 3  577.3340680  5951614044240 2 0    4239 4 0      C-13-H3C(O)CH3
  238710.6737  0.0183 -7.0587 3  107.2836156  5951614041916 3 3    1913 6 3      C-13-H3C(O)CH3
  238712.8433  0.0042 -4.5044 3  376.1833648 -595161404401228 2    401129 2      C-13-H3C(O)CH3
  238712.8433  0.0042 -4.4670 3  376.1833648 -595161404401328 2    401229 2      C-13-H3C(O)CH3
  238712.8625  0.0042 -5.2511 3  376.1833648  595161404401328 2    401129 2      C-13-H3C(O)CH3
  238712.8625  0.0042 -5.0743 3  376.1833648  595161404401228 2    401229 2      C-13-H3C(O)CH3
  238716.9542  0.0043 -4.4112 3  376.1844648  595161404401228 1    401229 1      C-13-H3C(O)CH3
  238716.9542  0.0043 -4.4112 3  376.1844648  595161404401328 1    401129 1      C-13-H3C(O)CH3
  238716.9542  0.0043 -6.0306 3  376.1844648  595161404401228 1    401129 1      C-13-H3C(O)CH3
  238716.9542  0.0043 -6.0306 3  376.1844648  595161404401328 1    401229 1      C-13-H3C(O)CH3
  238718.7725  0.0392 -5.6190 3  928.9579452  595161404564314 4    564215 4      C-13-H3C(O)CH3
  238732.3949  0.0028 -4.0841 3   43.3636100  5951614041212 0 4    1111 0 4      C-13-H3C(O)CH3
  238735.1123  0.0201 -5.1237 3  892.6521936  595161404582830 0    582731 0      C-13-H3C(O)CH3
  238735.3793  0.0201 -5.1237 3  892.6521936  595161404582930 0    582831 0      C-13-H3C(O)CH3
  238737.4139  0.0067 -5.9794 3  288.6561536  595161404331617 0    321914 0      C-13-H3C(O)CH3
  238740.6536  0.0075 -6.1489 3  106.2867328  5951614042011 9 2    20 812 2      C-13-H3C(O)CH3
  238746.8086  0.0036 -5.4865 3  376.2104648  595161404401228 0    401129 0      C-13-H3C(O)CH3
  238746.8086  0.0036 -4.4380 3  376.2104648  595161404401228 0    401229 0      C-13-H3C(O)CH3
  238746.8086  0.0036 -5.4865 3  376.2104648  595161404401328 0    401229 0      C-13-H3C(O)CH3
  238746.8086  0.0036 -4.4380 3  376.2104648  595161404401328 0    401129 0      C-13-H3C(O)CH3
  238748.4913  0.0216 -5.1235 3  892.6585936  595161404582830 1    582731 1      C-13-H3C(O)CH3
  238748.7947  0.0216 -5.1235 3  892.6585936  595161404582930 1    582831 1      C-13-H3C(O)CH3
  238750.7641  0.0269 -5.1235 3  892.6591936  595161404582830 2    582731 2      C-13-H3C(O)CH3
  238751.0581  0.0269 -5.1235 3  892.6591936  595161404582930 2    582831 2      C-13-H3C(O)CH3
  238751.7968  0.0043 -4.3364 3   45.0970108 -5951614041310 4 3    12 9 3 3      C-13-H3C(O)CH3
  238764.1783  0.0277 -5.4244 3  892.6655468  595161404582830 3    582731 3      C-13-H3C(O)CH3
  238764.2619  0.0278 -5.4244 3  892.6655468  595161404582830 4    582731 4      C-13-H3C(O)CH3
  238764.5124  0.0277 -5.4244 3  892.6655468  595161404582930 3    582831 3      C-13-H3C(O)CH3
  238764.5942  0.0278 -5.4244 3  892.6655468  595161404582930 4    582831 4      C-13-H3C(O)CH3
  238795.4276  0.0350 -5.6187 3  928.9609452  595161404564314 3    564215 3      C-13-H3C(O)CH3
  238796.9296  0.0077 -6.4540 3  106.3077164  5951614042011 9 3    20 812 3      C-13-H3C(O)CH3
  238807.5069  0.0240 -5.2391 3  577.3035680  5951614044240 3 1    4239 4 1      C-13-H3C(O)CH3
  238822.0625  0.0106 -6.4539 3  106.3077164  5951614042011 9 4    20 812 4      C-13-H3C(O)CH3
  238833.8903  0.0287 -5.5400 3  577.3278340  5951614044240 2 3    4239 3 3      C-13-H3C(O)CH3
  238845.0921  0.0299 -5.3176 3  928.9271904  595161404564314 2    564215 2      C-13-H3C(O)CH3
  238849.4107  0.0233 -5.2391 3  577.3399680  5951614044240 2 2    4239 3 2      C-13-H3C(O)CH3
  238858.6977  0.0071 -6.1461 3  106.2679328  5951614042011 9 0    20 812 0      C-13-H3C(O)CH3
  238861.6563  0.0133 -5.7339 3  134.8121180  5951614042215 7 3    2116 5 3      C-13-H3C(O)CH3
  238872.2319  0.4828 -6.9423 3 1710.4325628  595161404785128 3    785029 3      C-13-H3C(O)CH3
  238873.6153  0.4470 -6.6368 3 1710.4011C56  595161404785128 0    785029 0      C-13-H3C(O)CH3
  238874.1095  0.0035 -3.7823 3   43.2132200 -5951614041212 1 1    1111 1 1      C-13-H3C(O)CH3
  238889.2381  0.0340 -5.6186 3  928.9667452  595161404564313 3    564214 3      C-13-H3C(O)CH3
  238895.4205  0.0033 -3.7822 3   43.2234200 -5951614041212 1 2    1111 1 2      C-13-H3C(O)CH3
  238904.5762  0.0311 -6.9070 3  482.1887680  595161404422419 2    412714 2      C-13-H3C(O)CH3
  238925.8721  0.0073 -6.1502 3  106.2887328  5951614042011 9 1    20 812 1      C-13-H3C(O)CH3
  238927.4373  0.0029 -3.7822 3   43.2971200 -5951614041212 0 1    1111 0 1      C-13-H3C(O)CH3
  238932.5447  0.0273 -5.3174 3  928.9206904  595161404564314 1    564215 1      C-13-H3C(O)CH3
  238958.0835  0.0289 -5.5396 3  577.3095340  5951614044240 3 3    4239 4 3      C-13-H3C(O)CH3
  238965.3421  0.0319 -5.6183 3  928.9697452  595161404564313 4    564214 4      C-13-H3C(O)CH3
  238966.2625  0.0229 -5.2389 3  577.3633680  5951614044240 2 1    4239 3 1      C-13-H3C(O)CH3
  238974.3424  0.0031 -3.7820 3   43.3030200 -5951614041212 0 2    1111 0 2      C-13-H3C(O)CH3
  239008.6133  0.0267 -5.3171 3  928.9237904  595161404564313 1    564214 1      C-13-H3C(O)CH3
  239014.7565  0.0279 -5.3172 3  928.9360904  595161404564313 2    564214 2      C-13-H3C(O)CH3
  239026.7241  0.0170 -6.1903 3  194.2311424  5951614042619 8 1    261610 1      C-13-H3C(O)CH3
  239058.0262  0.0258 -5.3170 3  928.8899904  595161404564313 0    564214 0      C-13-H3C(O)CH3
  239058.0314  0.0258 -5.3170 3  928.8899904  595161404564314 0    564215 0      C-13-H3C(O)CH3
  239113.1413  0.0258 -5.4878 3  817.2579420  595161404524211 3    524112 3      C-13-H3C(O)CH3
  239118.0813  0.0310 -5.5395 3  577.3691340  5951614044240 2 4    4239 3 4      C-13-H3C(O)CH3
  239126.5752  0.0278 -5.4879 3  817.2687420  595161404524210 4    524111 4      C-13-H3C(O)CH3
  239126.8823  0.4924 -6.9927 3 1751.9016644  595161404804535 4    804436 4      C-13-H3C(O)CH3
  239126.8890  0.4933 -6.9927 3 1751.9016644  595161404804535 3    804436 3      C-13-H3C(O)CH3
  239131.0369  0.0288 -6.7958 3  270.0266472  5951614042927 2 1    2828 0 1      C-13-H3C(O)CH3
  239132.1733  0.0294 -6.7948 3  270.0865472  5951614042927 2 0    2828 0 0      C-13-H3C(O)CH3
  239132.1733  0.0294 -6.7948 3  270.0865472  5951614042927 3 0    2828 1 0      C-13-H3C(O)CH3
  239133.7302  0.4118 -6.6916 3 1751.8987C88  595161404804535 1    804436 1      C-13-H3C(O)CH3
  239151.7084  0.0208 -5.1868 3  817.2406840  595161404524211 2    524112 2      C-13-H3C(O)CH3
  239166.6236  0.6531 -7.1059 3 1796.1527644  595161404805228 3    805129 3      C-13-H3C(O)CH3
  239168.4317  0.0030 -3.7812 3   43.2367200 -5951614041212 1 0    1111 0 0      C-13-H3C(O)CH3
  239168.7422  0.0030 -3.7812 3   43.2367200 -5951614041212 0 0    1111 1 0      C-13-H3C(O)CH3
  239173.3282  0.0251 -5.4876 3  817.2595420  595161404524211 4    524112 4      C-13-H3C(O)CH3
  239174.9564  0.0157 -5.5903 3  134.8016180  5951614042215 7 3    2116 6 3      C-13-H3C(O)CH3
  239181.0438  0.0116 -6.2085 3  254.1963252  595161404311616 4    301713 4      C-13-H3C(O)CH3
  239183.4102  0.0101 -5.9078 3  254.2183504  595161404311616 1    301713 1      C-13-H3C(O)CH3
  239186.7273  0.0259 -5.4877 3  817.2705420  595161404524210 3    524111 3      C-13-H3C(O)CH3
  239187.9611  0.5632 -6.7979 3 1796.1293C88  595161404805228 0    805129 0      C-13-H3C(O)CH3
  239192.6751  0.0124 -6.2085 3  254.1959252  595161404311616 3    301713 3      C-13-H3C(O)CH3
  239195.6589  0.0223 -6.6323 3  194.2226212  5951614042619 8 3    261610 3      C-13-H3C(O)CH3
  239211.1428  0.0200 -5.1866 3  817.2423840  595161404524210 2    524111 2      C-13-H3C(O)CH3
  239225.5364  0.0059 -6.9041 3   18.1661152  595161404 9 7 3 1     8 4 5 1      C-13-H3C(O)CH3
  239226.1385  0.5105 -6.6913 3 1751.9041C88  595161404804535 2    804436 2      C-13-H3C(O)CH3
  239233.1678  0.4167 -6.6913 3 1751.9012C88  595161404804535 0    804436 0      C-13-H3C(O)CH3
  239256.3059  0.0043 -4.6972 3  352.0779316  595161404391228 4    391029 4      C-13-H3C(O)CH3
  239256.3059  0.0043 -4.8092 3  352.0779316  595161404391128 4    391129 4      C-13-H3C(O)CH3
  239256.3710  0.0043 -6.7756 3  352.0779316 -595161404391228 4    391129 4      C-13-H3C(O)CH3
  239256.3710  0.0043 -5.4167 3  352.0779316 -595161404391128 4    391029 4      C-13-H3C(O)CH3
  239256.3710  0.0041 -4.7037 3  352.0779316 -595161404391128 3    391029 3      C-13-H3C(O)CH3
  239256.3710  0.0041 -4.7037 3  352.0779316 -595161404391228 3    391129 3      C-13-H3C(O)CH3
  239256.5214  0.0041 -6.0635 3  352.0779316  595161404391228 3    391029 3      C-13-H3C(O)CH3
  239256.5214  0.0041 -6.0635 3  352.0779316  595161404391128 3    391129 3      C-13-H3C(O)CH3
  239264.9831  0.0026 -4.0050 3   45.0171216 -5951614041310 4 0    12 9 3 0      C-13-H3C(O)CH3
  239272.9777  0.0206 -6.8899 3  482.1814680  595161404422419 1    412714 1      C-13-H3C(O)CH3
  239275.0253  0.0198 -5.1864 3  817.2281840  595161404524211 1    524112 1      C-13-H3C(O)CH3
  239288.9798  0.0212 -5.1865 3  817.2390840  595161404524210 1    524111 1      C-13-H3C(O)CH3
  239308.2589  0.0042 -4.4262 3  352.1013632  595161404391228 2    391129 2      C-13-H3C(O)CH3
  239308.2589  0.0042 -5.4152 3  352.1013632  595161404391228 2    391029 2      C-13-H3C(O)CH3
  239308.2589  0.0042 -5.4152 3  352.1013632  595161404391128 2    391129 2      C-13-H3C(O)CH3
  239308.2589  0.0042 -4.4262 3  352.1013632  595161404391128 2    391029 2      C-13-H3C(O)CH3
  239312.2916  0.0042 -5.2263 3  352.1023632 -595161404391228 1    391129 1      C-13-H3C(O)CH3
  239312.2916  0.0042 -4.4513 3  352.1023632 -595161404391128 1    391129 1      C-13-H3C(O)CH3
  239312.3005  0.0042 -4.4513 3  352.1023632  595161404391228 1    391029 1      C-13-H3C(O)CH3
  239312.3005  0.0042 -5.2263 3  352.1023632  595161404391128 1    391029 1      C-13-H3C(O)CH3
  239313.0202  0.0182 -5.1864 3  817.2108840  595161404524210 0    524111 0      C-13-H3C(O)CH3
  239313.0203  0.0182 -5.1864 3  817.2108840  595161404524211 0    524112 0      C-13-H3C(O)CH3
  239318.6495  0.1709 -6.2359 3 1321.2050548  595161404684722 4    684623 4      C-13-H3C(O)CH3
  239333.1865  0.6484 -6.8746 3 1796.1306C88  595161404805228 2    805129 2      C-13-H3C(O)CH3
  239348.9020  0.0069 -6.9593 3   18.1654152  595161404 9 7 3 2     8 4 5 2      C-13-H3C(O)CH3
  239355.2326  0.7454 -6.9037 3 1796.1520C88  595161404805228 1    805129 1      C-13-H3C(O)CH3
  239363.9195  0.0036 -4.9132 3  352.1258632 -595161404391228 0    391029 0      C-13-H3C(O)CH3
  239363.9195  0.0036 -4.9132 3  352.1258632 -595161404391128 0    391129 0      C-13-H3C(O)CH3
  239363.9588  0.0036 -4.5357 3  352.1258632  595161404391228 0    391129 0      C-13-H3C(O)CH3
  239363.9588  0.0036 -4.5357 3  352.1258632  595161404391128 0    391029 0      C-13-H3C(O)CH3
  239436.2680  0.0017 -4.0916 3   87.0864164 -59516140420 615 3    19 514 3      C-13-H3C(O)CH3
  239436.2680  0.0017 -4.0916 3   87.0865164 -59516140420 515 4    19 614 4      C-13-H3C(O)CH3
  239436.2680  0.0017 -4.0916 3   87.0865164 -59516140420 615 4    19 514 4      C-13-H3C(O)CH3
  239436.2680  0.0017 -4.0916 3   87.0864164 -59516140420 515 3    19 614 3      C-13-H3C(O)CH3
  239445.5251  0.0080 -5.9036 3  254.2274504  595161404311616 0    301713 0      C-13-H3C(O)CH3
  239447.7933  0.0282 -7.0961 3  269.9551236  5951614042927 3 4    2828 0 4      C-13-H3C(O)CH3
  239449.8048  0.0283 -6.7941 3  270.0149472  5951614042927 3 2    2828 1 2      C-13-H3C(O)CH3
  239453.0935  0.0096 -5.9033 3  254.2050504  595161404311616 2    301713 2      C-13-H3C(O)CH3
  239469.2180  0.0026 -5.5339 3   45.0970108  5951614041310 3 3    12 9 3 3      C-13-H3C(O)CH3
  239476.1529  0.0131 -5.4929 3  134.7938360  5951614042215 7 2    2116 6 2      C-13-H3C(O)CH3
  239480.4663  0.0017 -4.3799 3   72.6861140 -59516140417 9 9 4    16 8 8 4      C-13-H3C(O)CH3
  239486.3248  0.1972 -5.9344 3 1321.1776A96  595161404684722 1    684623 1      C-13-H3C(O)CH3
  239495.2056  0.0022 -4.3799 3   72.6856140 -59516140417 9 9 3    16 8 8 3      C-13-H3C(O)CH3
  239498.4100  0.0184 -6.8787 3  482.1939680  595161404422419 0    412714 0      C-13-H3C(O)CH3
  239500.7472  0.0018 -3.7904 3   87.0528328 -59516140420 615 1    19 514 1      C-13-H3C(O)CH3
  239500.7472  0.0018 -3.7904 3   87.0528328 -59516140420 515 1    19 614 1      C-13-H3C(O)CH3
  239501.8221  0.0018 -3.7905 3   87.0518328 -59516140420 515 2    19 614 2      C-13-H3C(O)CH3
  239501.8221  0.0018 -3.7905 3   87.0518328 -59516140420 615 2    19 514 2      C-13-H3C(O)CH3
  239506.4607  0.0309 -6.7936 3  270.0074472  5951614042927 3 1    2828 1 1      C-13-H3C(O)CH3
  239566.1491  0.0016 -3.7903 3   87.0183328 -59516140420 515 0    19 614 0      C-13-H3C(O)CH3
  239566.1491  0.0016 -3.7903 3   87.0183328 -59516140420 615 0    19 514 0      C-13-H3C(O)CH3
  239569.5318  0.0275 -5.3683 3  557.6198664  5951614044140 2 2    4139 3 2      C-13-H3C(O)CH3
  239582.3083  0.1709 -6.2454 3 1321.2217548  595161404684722 3    684623 3      C-13-H3C(O)CH3
  239591.6588  0.1752 -5.9342 3 1321.1728A96  595161404684722 2    684623 2      C-13-H3C(O)CH3
  239594.8170  0.0214 -6.2931 3  194.2226212  5951614042619 7 3    261610 3      C-13-H3C(O)CH3
  239617.1190  0.0019 -4.0789 3   72.6533280 -59516140417 9 9 1    16 8 8 1      C-13-H3C(O)CH3
  239621.2286  0.0229 -6.2484 3  245.9782456  5951614042825 4 0    2726 1 0      C-13-H3C(O)CH3
  239621.2287  0.0229 -6.2484 3  245.9782456  5951614042825 3 0    2726 2 0      C-13-H3C(O)CH3
  239638.9053  0.1527 -6.2453 3 1321.2241548  595161404684721 3    684622 3      C-13-H3C(O)CH3
  239646.8459  0.0285 -7.0941 3  269.9606236  5951614042927 2 3    2828 0 3      C-13-H3C(O)CH3
  239649.9570  0.0279 -6.7921 3  270.0204472  5951614042927 2 2    2828 0 2      C-13-H3C(O)CH3
  239661.5139  0.0021 -4.0793 3   72.6494280 -59516140417 9 9 2    16 8 8 2      C-13-H3C(O)CH3
  239667.0142  0.0062 -4.7193 3  640.9726808  595161404502129 0    502030 0      C-13-H3C(O)CH3
  239667.0146  0.0062 -4.7193 3  640.9726808  595161404502229 0    502130 0      C-13-H3C(O)CH3
  239683.2916  0.0236 -5.3683 3  557.6640664  5951614044140 2 0    4139 3 0      C-13-H3C(O)CH3
  239683.2916  0.0236 -5.3683 3  557.6640664  5951614044140 1 0    4139 2 0      C-13-H3C(O)CH3
  239709.5874  0.0352 -5.6687 3  557.5857332  5951614044140 2 4    4139 3 4      C-13-H3C(O)CH3
  239715.5078  0.0087 -4.7190 3  640.9565808  595161404502129 2    502030 2      C-13-H3C(O)CH3
  239715.5082  0.0087 -4.7190 3  640.9565808  595161404502229 2    502130 2      C-13-H3C(O)CH3
  239717.0642  0.0069 -4.7190 3  640.9573808  595161404502129 1    502030 1      C-13-H3C(O)CH3
  239717.0647  0.0069 -4.7190 3  640.9573808  595161404502229 1    502130 1      C-13-H3C(O)CH3
  239723.3970  0.0160 -5.1128 3  691.0007760  5951614044741 7 2    4740 8 2      C-13-H3C(O)CH3
  239727.5113  0.0086 -5.8552 3  156.7628392  595161404241410 2    241113 2      C-13-H3C(O)CH3
  239733.7063  0.0148 -6.9621 3  547.3311372  595161404462026 4    452323 4      C-13-H3C(O)CH3
  239733.8030  0.0147 -6.9621 3  547.3311372  595161404462026 3    452323 3      C-13-H3C(O)CH3
  239734.7547  0.0223 -6.2488 3  245.9093456  5951614042825 4 1    2726 2 1      C-13-H3C(O)CH3
  239743.4138  0.0148 -6.9621 3  547.3308372  595161404462126 4    452223 4      C-13-H3C(O)CH3
  239743.5448  0.0147 -6.9621 3  547.3308372  595161404462126 3    452223 3      C-13-H3C(O)CH3
  239743.8599  0.0219 -5.4137 3  690.9939380  5951614044741 7 4    4740 8 4      C-13-H3C(O)CH3
  239746.7469  0.0129 -6.6621 3  547.3524744  595161404462026 1    452323 1      C-13-H3C(O)CH3
  239748.9554  0.1922 -5.9335 3 1321.1459A96  595161404684721 0    684622 0      C-13-H3C(O)CH3
  239755.8154  0.0129 -6.6621 3  547.3521744  595161404462126 1    452223 1      C-13-H3C(O)CH3
  239757.5223  0.0083 -5.8532 3  156.7631392  595161404241410 0    241113 0      C-13-H3C(O)CH3
  239765.6384  0.0088 -5.0197 3  640.9411404  595161404502129 3    502030 3      C-13-H3C(O)CH3
  239765.6389  0.0088 -5.0197 3  640.9411404  595161404502229 3    502130 3      C-13-H3C(O)CH3
  239765.7335  0.0089 -5.0197 3  640.9411404  595161404502129 4    502030 4      C-13-H3C(O)CH3
  239765.7340  0.0089 -5.0197 3  640.9411404  595161404502229 4    502130 4      C-13-H3C(O)CH3
  239769.4851  0.1920 -5.9334 3 1321.1451A96  595161404684722 0    684623 0      C-13-H3C(O)CH3
  239774.5804  0.0143 -6.6603 3  547.3498744  595161404462026 2    452323 2      C-13-H3C(O)CH3
  239783.8822  0.0144 -6.6602 3  547.3495744  595161404462126 2    452223 2      C-13-H3C(O)CH3
  239783.8984  0.0044 -4.7824 3  328.5859308  595161404381028 4    381029 4      C-13-H3C(O)CH3
  239783.8984  0.0044 -4.6729 3  328.5859308  595161404381128 4    38 929 4      C-13-H3C(O)CH3
  239784.1382  0.0041 -4.6731 3  328.5859308  595161404381128 3    381029 3      C-13-H3C(O)CH3
  239784.1382  0.0041 -4.6731 3  328.5859308  595161404381028 3    38 929 3      C-13-H3C(O)CH3
  239784.2757  0.0044 -5.3248 3  328.5859308 -595161404381128 4    381029 4      C-13-H3C(O)CH3
  239787.3840  0.0108 -6.6614 3  547.3710744  595161404462026 0    452323 0      C-13-H3C(O)CH3
  239790.2011  0.0018 -4.0793 3   72.6170280 -59516140417 9 9 0    16 8 8 0      C-13-H3C(O)CH3
  239796.0462  0.0108 -6.6614 3  547.3707744  595161404462126 0    452223 0      C-13-H3C(O)CH3
  239808.0829  0.1870 -5.9336 3 1321.1967A96  595161404684721 1    684622 1      C-13-H3C(O)CH3
  239821.2528  0.0282 -7.0939 3  269.9360236  5951614042927 3 3    2828 1 3      C-13-H3C(O)CH3
  239823.4792  0.0284 -5.3678 3  557.6299664  5951614044140 2 1    4139 3 1      C-13-H3C(O)CH3
  239837.0578  0.0159 -5.1127 3  691.0160760  5951614044741 6 2    4740 7 2      C-13-H3C(O)CH3
  239847.3891  0.0194 -5.4136 3  691.0279380  5951614044741 6 3    4740 7 3      C-13-H3C(O)CH3
  239853.0560  0.1770 -5.9336 3 1321.1897A96  595161404684721 2    684622 2      C-13-H3C(O)CH3
  239856.3809  0.0169 -6.2078 3  194.2180424  5951614042619 8 2    261610 2      C-13-H3C(O)CH3
  239856.4767  0.0209 -5.4135 3  691.0091380  5951614044741 7 3    4740 8 3      C-13-H3C(O)CH3
  239860.4910  0.4471 -7.0406 3 1936.0312D52  595161404844936 2    844837 2      C-13-H3C(O)CH3
  239860.7877  0.0041 -4.6133 3  328.6057616  595161404381028 2    381029 2      C-13-H3C(O)CH3
  239860.7877  0.0041 -4.7411 3  328.6057616  595161404381128 2    381029 2      C-13-H3C(O)CH3
  239860.7877  0.0041 -4.7411 3  328.6057616  595161404381028 2    38 929 2      C-13-H3C(O)CH3
  239860.7877  0.0041 -4.6133 3  328.6057616  595161404381128 2    38 929 2      C-13-H3C(O)CH3
  239863.0142  0.3277 -6.5709 3 1509.2932588  595161404734925 4    734826 4      C-13-H3C(O)CH3
  239864.7171  0.0042 -4.5893 3  328.6066616  595161404381128 1    381029 1      C-13-H3C(O)CH3
  239864.7171  0.0042 -4.5893 3  328.6066616  595161404381028 1    38 929 1      C-13-H3C(O)CH3
  239864.7548  0.0042 -4.7757 3  328.6066616 -595161404381128 1    38 929 1      C-13-H3C(O)CH3
  239864.7548  0.0042 -4.7757 3  328.6066616 -595161404381028 1    381029 1      C-13-H3C(O)CH3
  239866.1005  0.5037 -7.0406 3 1936.0343D52  595161404844936 0    844837 0      C-13-H3C(O)CH3
  239867.1488  0.0148 -5.1127 3  690.9989760  5951614044741 7 0    4740 7 0      C-13-H3C(O)CH3
  239867.1488  0.0148 -5.1127 3  690.9989760  5951614044741 6 0    4740 8 0      C-13-H3C(O)CH3
  239869.2444  0.0350 -5.6686 3  557.6516332  5951614044140 1 3    4139 2 3      C-13-H3C(O)CH3
  239869.5482  0.0529 -5.7470 3 1020.0545476  595161404594416 4    594317 4      C-13-H3C(O)CH3
  239878.3488  0.0030 -4.3448 3   45.0043108 -5951614041310 4 4    12 9 4 4      C-13-H3C(O)CH3
  239887.5245  0.0172 -5.1124 3  690.9921760  5951614044741 7 1    4740 8 1      C-13-H3C(O)CH3
  239889.5031  0.4951 -7.0405 3 1936.0274D52  595161404844936 1    844837 1      C-13-H3C(O)CH3
  239890.1213  0.0293 -5.3677 3  557.6693664  5951614044140 1 2    4139 2 2      C-13-H3C(O)CH3
  239901.8688  0.1691 -6.2344 3 1321.2410548  595161404684721 4    684622 4      C-13-H3C(O)CH3
  239913.2101  0.0022 -4.3407 3   45.1373108 -5951614041310 3 4    12 9 3 4      C-13-H3C(O)CH3
  239941.1586  0.0037 -4.6620 3  328.6264616 -595161404381128 0    381029 0      C-13-H3C(O)CH3
  239941.1586  0.0037 -4.6767 3  328.6264616 -595161404381028 0    38 929 0      C-13-H3C(O)CH3
  239941.2416  0.0037 -4.6827 3  328.6264616  595161404381128 0    38 929 0      C-13-H3C(O)CH3
  239941.2416  0.0037 -4.6678 3  328.6264616  595161404381028 0    381029 0      C-13-H3C(O)CH3
  239941.5072  0.0135 -5.5539 3  134.7811360  5951614042215 7 1    2116 6 1      C-13-H3C(O)CH3
  239960.4328  0.0025 -4.1113 3   45.0719216 -5951614041310 3 1    12 9 3 1      C-13-H3C(O)CH3
  239961.2102  0.0200 -5.4134 3  691.0430380  5951614044741 6 4    4740 7 4      C-13-H3C(O)CH3
  239975.3789  0.0028 -4.1322 3   45.0704216 -5951614041310 3 2    12 9 3 2      C-13-H3C(O)CH3
  239980.1531  0.0099 -6.1600 3  156.7658196  595161404241410 3    241113 3      C-13-H3C(O)CH3
  239984.1768  0.0278 -5.3676 3  557.6959664  5951614044140 1 1    4139 2 1      C-13-H3C(O)CH3
  239987.4918  0.3668 -6.2806 3 1509.2809B76  595161404734925 1    734826 1      C-13-H3C(O)CH3
  239992.1103  0.0154 -5.1124 3  691.0261760  5951614044741 6 1    4740 7 1      C-13-H3C(O)CH3
  239993.6216  0.4504 -6.8108 3 1509.3143588  595161404734925 3    734825 3      C-13-H3C(O)CH3
  239998.4682  0.0132 -6.1600 3  156.7658196  595161404241410 4    241113 4      C-13-H3C(O)CH3
  240007.0118  0.0226 -6.2472 3  245.9069456  5951614042825 4 2    2726 2 2      C-13-H3C(O)CH3
  240008.5842  0.0486 -5.7466 3 1020.0658476  595161404594416 3    594317 3      C-13-H3C(O)CH3
  240015.5992  0.0088 -5.8571 3  156.7661392  595161404241410 1    241113 1      C-13-H3C(O)CH3
  240019.1317  0.0329 -7.0919 3  269.9414236  5951614042927 2 4    2828 1 4      C-13-H3C(O)CH3
  240025.2732  0.0231 -6.2468 3  245.9108456  5951614042825 3 1    2726 1 1      C-13-H3C(O)CH3
  240029.9063  0.0358 -5.6682 3  557.6351332  5951614044140 2 3    4139 3 3      C-13-H3C(O)CH3
  240054.3917  0.0449 -5.4454 3 1020.0228952  595161404594416 2    594317 2      C-13-H3C(O)CH3
  240062.3935  0.0214 -6.2458 3  245.9284456  5951614042825 3 2    2726 1 2      C-13-H3C(O)CH3
  240083.2737  1.0042 -6.9349 3 1509.3143588  595161404734924 3    734825 3      C-13-H3C(O)CH3
  240091.2785  0.0440 -5.7464 3 1020.0675476  595161404594415 3    594316 3      C-13-H3C(O)CH3
  240096.4366  0.0418 -5.4453 3 1020.0159952  595161404594416 1    594317 1      C-13-H3C(O)CH3
  240099.3269  0.1009 -6.0550 3 1252.1455548  595161404683632 4    683533 4      C-13-H3C(O)CH3
  240099.3412  0.1009 -6.0550 3 1252.1455548  595161404683632 3    683533 3      C-13-H3C(O)CH3
  240118.2200  0.0226 -6.5486 3  245.8382228  5951614042825 4 4    2726 2 4      C-13-H3C(O)CH3
  240132.8977  0.0914 -5.7539 3 1252.1286A96  595161404683632 1    683533 1      C-13-H3C(O)CH3
  240132.9281  0.3130 -6.2758 3 1509.2647B76  595161404734925 2    734826 2      C-13-H3C(O)CH3
  240144.6397  0.1007 -5.7538 3 1252.1316A96  595161404683632 2    683533 2      C-13-H3C(O)CH3
  240145.8856  0.3182 -6.2659 3 1509.2566B76  595161404734924 0    734825 0      C-13-H3C(O)CH3
  240147.5303  0.0987 -6.0548 3 1252.1457548  595161404683732 4    683633 4      C-13-H3C(O)CH3
  240147.5976  0.0985 -6.0548 3 1252.1457548  595161404683732 3    683633 3      C-13-H3C(O)CH3
  240172.6969  0.0224 -6.5472 3  245.8595228  5951614042825 3 3    2726 1 3      C-13-H3C(O)CH3
  240178.0746  0.0912 -5.7537 3 1252.1147A96  595161404683632 0    683533 0      C-13-H3C(O)CH3
  240179.4145  0.0916 -5.7537 3 1252.1288A96  595161404683732 1    683633 1      C-13-H3C(O)CH3
  240182.8605  0.0154 -6.6556 3  107.2763312  5951614041916 3 1    1913 6 1      C-13-H3C(O)CH3
  240189.0511  0.0983 -5.7537 3 1252.1318A96  595161404683732 2    683633 2      C-13-H3C(O)CH3
  240192.1784  0.0387 -5.6681 3  557.7010332  5951614044140 1 4    4139 2 4      C-13-H3C(O)CH3
  240202.8045  0.0203 -6.8966 3  107.3008156  5951614041916 3 4    1913 6 4      C-13-H3C(O)CH3
  240208.7518  0.9245 -6.9344 3 1509.3071588  595161404734925 3    734826 3      C-13-H3C(O)CH3
  240220.8649  0.0914 -5.7536 3 1252.1149A96  595161404683732 0    683633 0      C-13-H3C(O)CH3
  240229.5804  0.0448 -5.7461 3 1020.0789476  595161404594415 4    594316 4      C-13-H3C(O)CH3
  240234.9972  0.0464 -5.4449 3 1020.0272952  595161404594415 1    594316 1      C-13-H3C(O)CH3
  240235.9385  0.0029 -4.1129 3   44.9893216 -5951614041310 4 1    12 9 4 1      C-13-H3C(O)CH3
  240259.7714  0.0534 -5.7194 3 1065.3893508  595161404633231 3    633132 3      C-13-H3C(O)CH3
  240259.7992  0.0535 -5.7194 3 1065.3893508  595161404633231 4    633132 4      C-13-H3C(O)CH3
  240264.1064  0.0131 -6.4956 3  107.2567312  5951614041916 3 0    1913 6 0      C-13-H3C(O)CH3
  240264.3151  0.0532 -5.7194 3 1065.3893508  595161404633331 3    633232 3      C-13-H3C(O)CH3
  240264.3305  0.0533 -5.7194 3 1065.3893508  595161404633331 4    633232 4      C-13-H3C(O)CH3
  240268.2786  0.0046 -6.2188 3  305.6825300  595161404371028 4    37 929 4      C-13-H3C(O)CH3
  240268.2786  0.0046 -4.6785 3  305.6825300  595161404371028 4    37 829 4      C-13-H3C(O)CH3
  240268.2786  0.0046 -4.6785 3  305.6825300  59516140437 928 4    37 929 4      C-13-H3C(O)CH3
  240268.2786  0.0046 -6.2188 3  305.6825300  59516140437 928 4    37 829 4      C-13-H3C(O)CH3
  240268.5319  0.0043 -5.0884 3  305.6825300  59516140437 928 3    37 829 3      C-13-H3C(O)CH3
  240268.5319  0.0043 -5.0884 3  305.6825300  595161404371028 3    37 929 3      C-13-H3C(O)CH3
  240268.5319  0.0043 -4.8726 3  305.6825300  595161404371028 3    37 829 3      C-13-H3C(O)CH3
  240268.5319  0.0043 -4.8726 3  305.6825300  59516140437 928 3    37 929 3      C-13-H3C(O)CH3
  240272.0690  0.0460 -5.4184 3 1065.3740A16  595161404633231 1    633132 1      C-13-H3C(O)CH3
  240275.4580  0.0432 -5.4449 3 1020.0359952  595161404594415 2    594316 2      C-13-H3C(O)CH3
  240276.3293  0.0460 -5.4184 3 1065.3740A16  595161404633331 1    633232 1      C-13-H3C(O)CH3
  240276.7974  0.1115 -6.0562 3 1216.1590524  595161404654620 4    654521 4      C-13-H3C(O)CH3
  240277.6872  0.0525 -5.4184 3 1065.3757A16  595161404633231 2    633132 2      C-13-H3C(O)CH3
  240280.6656  0.0444 -5.4448 3 1019.9843952  595161404594415 0    594316 0      C-13-H3C(O)CH3
  240280.7189  0.0444 -5.4448 3 1019.9843952  595161404594416 0    594317 0      C-13-H3C(O)CH3
  240281.7706  0.0523 -5.4183 3 1065.3757A16  595161404633331 2    633232 2      C-13-H3C(O)CH3
  240289.9631  0.0451 -5.4184 3 1065.3605A16  595161404633231 0    633132 0      C-13-H3C(O)CH3
  240293.4071  0.0257 -6.5100 3  148.4996188  5951614042316 8 4    2217 5 4      C-13-H3C(O)CH3
  240293.7898  0.0451 -5.4183 3 1065.3605A16  595161404633331 0    633232 0      C-13-H3C(O)CH3
  240297.0695  0.0031 -4.1338 3   44.9940216 -5951614041310 4 2    12 9 4 2      C-13-H3C(O)CH3
  240298.4038  0.4720 -6.8099 3 1509.3071588  595161404734924 3    734826 3      C-13-H3C(O)CH3
  240303.9840  0.3354 -6.2754 3 1509.2846B76  595161404734924 2    734825 2      C-13-H3C(O)CH3
  240317.0754  0.3153 -6.2653 3 1509.2501B76  595161404734925 0    734826 0      C-13-H3C(O)CH3
  240320.8543  0.0025 -5.5321 3   45.0447108  5951614041310 4 3    12 9 4 3      C-13-H3C(O)CH3
  240322.9541  0.0172 -6.0743 3  194.2311424  5951614042619 7 1    261610 1      C-13-H3C(O)CH3
  240329.5278  0.3195 -6.2798 3 1509.2979B76  595161404734924 1    734825 1      C-13-H3C(O)CH3
  240365.7371  0.0047 -5.3545 3  129.6799180  595161404221310 4    2114 7 4      C-13-H3C(O)CH3
  240367.3775  0.6693 -6.9609 3 1883.9116D20  595161404825329 0    825230 0      C-13-H3C(O)CH3
  240373.2126  0.0040 -5.3635 3  305.6976600 -59516140437 928 2    37 829 2      C-13-H3C(O)CH3
  240373.2126  0.0040 -5.3635 3  305.6976600 -595161404371028 2    37 929 2      C-13-H3C(O)CH3
  240373.2195  0.0040 -4.4106 3  305.6976600  59516140437 928 2    37 929 2      C-13-H3C(O)CH3
  240373.2195  0.0040 -4.4106 3  305.6976600  595161404371028 2    37 829 2      C-13-H3C(O)CH3
  240376.9726  0.0041 -5.5664 3  305.6985600  595161404371028 1    37 829 1      C-13-H3C(O)CH3
  240376.9726  0.0041 -5.5664 3  305.6985600  59516140437 928 1    37 929 1      C-13-H3C(O)CH3
  240376.9842  0.0041 -4.3929 3  305.6985600 -59516140437 928 1    37 829 1      C-13-H3C(O)CH3
  240376.9842  0.0041 -4.3929 3  305.6985600 -595161404371028 1    37 929 1      C-13-H3C(O)CH3
  240407.2321  0.0219 -6.5466 3  245.8397228  5951614042825 4 3    2726 2 3      C-13-H3C(O)CH3
  240418.8790  0.0749 -5.8931 3 1115.7823500  595161404624518 4    624419 4      C-13-H3C(O)CH3
  240428.5089  0.3535 -6.5695 3 1509.3284588  595161404734924 4    734825 4      C-13-H3C(O)CH3
  240443.6284  0.0166 -5.0616 3  858.1731920  595161404572730 0    572631 0      C-13-H3C(O)CH3
  240443.7210  0.0166 -5.0616 3  858.1732920  595161404572830 0    572731 0      C-13-H3C(O)CH3
  240455.9134  0.7515 -7.0205 3 1883.9073D20  595161404825329 2    825230 2      C-13-H3C(O)CH3
  240461.0290  0.0018 -4.0300 3   90.7116172 -59516140421 517 3    20 416 3      C-13-H3C(O)CH3
  240461.0290  0.0018 -4.0300 3   90.7117172 -59516140421 417 4    20 516 4      C-13-H3C(O)CH3
  240461.0290  0.0018 -4.0300 3   90.7117172 -59516140421 517 4    20 416 4      C-13-H3C(O)CH3
  240461.0290  0.0018 -4.0300 3   90.7116172 -59516140421 417 3    20 516 3      C-13-H3C(O)CH3
  240462.0709  0.0257 -6.5453 3  245.8610228  5951614042825 3 4    2726 1 4      C-13-H3C(O)CH3
  240464.8225  0.0180 -5.0615 3  858.1772920  595161404572730 1    572631 1      C-13-H3C(O)CH3
  240464.9288  0.0180 -5.0615 3  858.1772920  595161404572830 1    572731 1      C-13-H3C(O)CH3
  240466.5975  0.0230 -5.0615 3  858.1776920  595161404572730 2    572631 2      C-13-H3C(O)CH3
  240466.7007  0.0230 -5.0615 3  858.1776920  595161404572830 2    572731 2      C-13-H3C(O)CH3
  240478.3073  0.1235 -5.7546 3 1216.1254A48  595161404654620 1    654521 1      C-13-H3C(O)CH3
  240481.4640  0.0037 -5.1941 3  305.7135600 -59516140437 928 0    37 829 0      C-13-H3C(O)CH3
  240481.4640  0.0037 -5.1941 3  305.7135600 -595161404371028 0    37 929 0      C-13-H3C(O)CH3
  240481.4808  0.0037 -4.4338 3  305.7135600  595161404371028 0    37 829 0      C-13-H3C(O)CH3
  240481.4808  0.0037 -4.4338 3  305.7135600  59516140437 928 0    37 929 0      C-13-H3C(O)CH3
  240487.8388  0.0236 -5.3623 3  858.1816460  595161404572730 3    572631 3      C-13-H3C(O)CH3
  240487.9341  0.0238 -5.3623 3  858.1816460  595161404572730 4    572631 4      C-13-H3C(O)CH3
  240487.9571  0.0236 -5.3623 3  858.1816460  595161404572830 3    572731 3      C-13-H3C(O)CH3
  240488.0517  0.0238 -5.3623 3  858.1816460  595161404572830 4    572731 4      C-13-H3C(O)CH3
  240488.2109  0.7934 -7.0213 3 1883.9305D20  595161404825329 1    825230 1      C-13-H3C(O)CH3
  240493.0067  0.0325 -5.6230 3  538.4394648  5951614044040 1 2    4039 2 2      C-13-H3C(O)CH3
  240507.9041  0.0239 -6.3892 3  194.2225212  5951614042619 7 4    261610 4      C-13-H3C(O)CH3
  240515.6582  0.0019 -3.7288 3   90.6743344 -59516140421 517 1    20 416 1      C-13-H3C(O)CH3
  240515.6582  0.0019 -3.7288 3   90.6743344 -59516140421 417 1    20 516 1      C-13-H3C(O)CH3
  240516.2076  0.0019 -3.7289 3   90.6736344 -59516140421 517 2    20 416 2      C-13-H3C(O)CH3
  240516.2076  0.0019 -3.7289 3   90.6736344 -59516140421 417 2    20 516 2      C-13-H3C(O)CH3
  240517.9197  0.0148 -6.6780 3  107.2733312  5951614041916 3 2    1913 6 2      C-13-H3C(O)CH3
  240538.7898  0.1147 -5.7544 3 1216.1266A48  595161404654620 2    654521 2      C-13-H3C(O)CH3
  240541.0816  0.0988 -6.0557 3 1216.1786524  595161404654619 3    654520 3      C-13-H3C(O)CH3
  240546.0257  0.0988 -6.0557 3 1216.1756524  595161404654620 3    654521 3      C-13-H3C(O)CH3
  240570.7312  0.0017 -3.7287 3   90.6364344 -59516140421 517 0    20 416 0      C-13-H3C(O)CH3
  240570.7312  0.0017 -3.7287 3   90.6364344 -59516140421 417 0    20 516 0      C-13-H3C(O)CH3
  240584.2636  0.0279 -5.6231 3  538.4923648  5951614044040 0 0    4039 1 0      C-13-H3C(O)CH3
  240584.2636  0.0279 -5.6231 3  538.4923648  5951614044040 1 0    4039 2 0      C-13-H3C(O)CH3
  240596.6373  0.8336 -6.8700 3 1796.0628C88  595161404805229 2    805130 2      C-13-H3C(O)CH3
  240598.8408  0.0037 -5.0390 3  129.6679360  595161404221310 1    2114 7 1      C-13-H3C(O)CH3
  240605.4738  0.0177 -5.8781 3  223.1826440  5951614042723 5 0    2624 2 0      C-13-H3C(O)CH3
  240605.4823  0.0177 -5.8781 3  223.1826440  5951614042723 4 0    2624 3 0      C-13-H3C(O)CH3
  240613.1516  0.0038 -5.0332 3  129.6635360  595161404221310 2    2114 7 2      C-13-H3C(O)CH3
  240621.1656  0.0689 -5.8926 3 1115.7992500  595161404624518 3    624418 3      C-13-H3C(O)CH3
  240627.1409  0.0048 -5.3353 3  129.6716180  595161404221310 3    2114 7 3      C-13-H3C(O)CH3
  240641.2472  0.0726 -5.5914 3 1115.7449A00  595161404624518 1    624419 1      C-13-H3C(O)CH3
  240650.2218  0.0719 -5.5914 3 1115.7500A00  595161404624518 2    624419 2      C-13-H3C(O)CH3
  240657.9991  0.0135 -5.8291 3  194.2267424  5951614042619 7 0    261610 0      C-13-H3C(O)CH3
  240659.9654  0.8453 -6.8989 3 1796.0880C88  595161404805229 1    805130 1      C-13-H3C(O)CH3
  240665.2372  0.0411 -5.9234 3  538.4021324  5951614044040 1 4    4039 2 4      C-13-H3C(O)CH3
  240674.2861  0.0620 -5.8925 3 1115.7978500  595161404624517 3    624419 3      C-13-H3C(O)CH3
  240712.0000  0.0050 -4.6660 3  283.3691292  59516140436 928 4    36 729 4      C-13-H3C(O)CH3
  240712.0000  0.0050 -4.6660 3  283.3691292  59516140436 828 4    36 829 4      C-13-H3C(O)CH3
  240712.2518  0.0045 -4.8819 3  283.3691292  59516140436 928 3    36 829 3      C-13-H3C(O)CH3
  240712.2518  0.0045 -5.0731 3  283.3691292  59516140436 928 3    36 729 3      C-13-H3C(O)CH3
  240712.2518  0.0045 -5.0731 3  283.3691292  59516140436 828 3    36 829 3      C-13-H3C(O)CH3
  240712.2518  0.0045 -4.8819 3  283.3691292  59516140436 828 3    36 729 3      C-13-H3C(O)CH3
  240718.4757  0.0022 -5.0277 3  129.6556360  595161404221310 0    2114 7 0      C-13-H3C(O)CH3
  240738.6082  0.1285 -5.7538 3 1216.0931A48  595161404654619 0    654520 0      C-13-H3C(O)CH3
  240741.8853  0.1284 -5.7538 3 1216.0930A48  595161404654620 0    654521 0      C-13-H3C(O)CH3
  240742.4449  0.1271 -5.7539 3 1216.1451A48  595161404654619 1    654520 1      C-13-H3C(O)CH3
  240756.6061  0.0334 -5.6225 3  538.4550648  5951614044040 1 1    4039 2 1      C-13-H3C(O)CH3
  240764.1779  0.0058 -4.6734 3  611.0710792  595161404492029 0    491930 0      C-13-H3C(O)CH3
  240764.1780  0.0058 -4.6734 3  611.0710792  595161404492129 0    492030 0      C-13-H3C(O)CH3
  240783.7643  0.0174 -6.0656 3  194.2180424  5951614042619 7 2    261610 2      C-13-H3C(O)CH3
  240790.1007  0.6050 -7.1002 3 1796.0865644  595161404805229 3    805130 3      C-13-H3C(O)CH3
  240802.1438  0.5144 -6.7922 3 1796.0649C88  595161404805229 0    805130 0      C-13-H3C(O)CH3
  240807.7301  0.1129 -5.7538 3 1216.1433A48  595161404654619 2    654520 2      C-13-H3C(O)CH3
  240809.5321  0.1049 -6.0549 3 1216.1954524  595161404654619 4    654520 4      C-13-H3C(O)CH3
  240812.8554  0.0077 -4.6731 3  611.0518792  595161404492029 2    491930 2      C-13-H3C(O)CH3
  240812.8555  0.0077 -4.6731 3  611.0518792  595161404492129 2    492030 2      C-13-H3C(O)CH3
  240814.7632  0.0063 -4.6731 3  611.0527792  595161404492029 1    491930 1      C-13-H3C(O)CH3
  240814.7633  0.0063 -4.6731 3  611.0527792  595161404492129 1    492030 1      C-13-H3C(O)CH3
  240819.7340  0.0173 -5.8779 3  223.1099440  5951614042723 5 1    2624 3 1      C-13-H3C(O)CH3
  240823.6862  0.0425 -5.9233 3  538.4742324  5951614044040 0 3    4039 1 3      C-13-H3C(O)CH3
  240843.2072  0.0801 -5.5909 3 1115.7619A00  595161404624517 1    624418 1      C-13-H3C(O)CH3
  240848.1054  0.0040 -4.8121 3  283.3782584 -59516140436 828 2    36 729 2      C-13-H3C(O)CH3
  240848.1054  0.0040 -4.8121 3  283.3782584 -59516140436 928 2    36 829 2      C-13-H3C(O)CH3
  240848.1348  0.0040 -4.5559 3  283.3782584  59516140436 828 2    36 829 2      C-13-H3C(O)CH3
  240848.1348  0.0040 -4.5559 3  283.3782584  59516140436 928 2    36 729 2      C-13-H3C(O)CH3
  240848.6140  0.0367 -5.6224 3  538.4976648  5951614044040 0 2    4039 1 2      C-13-H3C(O)CH3
  240851.6465  0.0041 -4.6395 3  283.3790584  59516140436 928 1    36 829 1      C-13-H3C(O)CH3
  240851.6465  0.0041 -4.6931 3  283.3790584  59516140436 928 1    36 729 1      C-13-H3C(O)CH3
  240851.6465  0.0041 -4.6931 3  283.3790584  59516140436 828 1    36 829 1      C-13-H3C(O)CH3
  240851.6465  0.0041 -4.6395 3  283.3790584  59516140436 828 1    36 729 1      C-13-H3C(O)CH3
  240863.5216  0.0078 -4.9738 3  611.0335396  595161404492029 3    491930 3      C-13-H3C(O)CH3
  240863.5217  0.0078 -4.9738 3  611.0335396  595161404492129 3    492030 3      C-13-H3C(O)CH3
  240863.6022  0.0078 -4.9738 3  611.0334396  595161404492029 4    491930 4      C-13-H3C(O)CH3
  240863.6024  0.0078 -4.9738 3  611.0334396  595161404492129 4    492030 4      C-13-H3C(O)CH3
  240872.0434  0.0785 -5.5907 3 1115.7128A00  595161404624517 0    624418 0      C-13-H3C(O)CH3
  240872.4960  0.0785 -5.5907 3 1115.7127A00  595161404624518 0    624419 0      C-13-H3C(O)CH3
  240875.7723  0.0674 -5.8920 3 1115.8149500  595161404624517 4    624418 4      C-13-H3C(O)CH3
  240905.1610  0.0704 -5.5908 3 1115.7656A00  595161404624517 2    624418 2      C-13-H3C(O)CH3
  240911.3636  0.0040 -6.4448 3   18.2300 76  595161404 9 7 2 3     8 4 5 3      C-13-H3C(O)CH3
  240915.9673  0.0335 -5.6224 3  538.5272648  5951614044040 0 1    4039 1 1      C-13-H3C(O)CH3
  240941.7857  0.0353 -7.0738 3  491.6378680  595161404422616 0    412913 0      C-13-H3C(O)CH3
  240949.7919  0.0163 -5.8758 3  223.1490440  5951614042723 4 2    2624 2 2      C-13-H3C(O)CH3
  240987.2843  0.0038 -4.5999 3  283.3881584 -59516140436 928 0    36 729 0      C-13-H3C(O)CH3
  240987.2843  0.0038 -4.5999 3  283.3881584 -59516140436 828 0    36 829 0      C-13-H3C(O)CH3
  240987.2857  0.0038 -4.7411 3  283.3881584  59516140436 928 0    36 829 0      C-13-H3C(O)CH3
  240987.2857  0.0038 -4.7411 3  283.3881584  59516140436 828 0    36 729 0      C-13-H3C(O)CH3
  241011.0367  0.0174 -5.8762 3  223.1302440  5951614042723 4 1    2624 2 1      C-13-H3C(O)CH3
  241020.9467  0.0443 -5.9228 3  538.4602324  5951614044040 1 3    4039 2 3      C-13-H3C(O)CH3
  241023.2635  0.0249 -5.4699 3  792.5722412  595161404514210 3    514111 3      C-13-H3C(O)CH3
  241023.3443  0.0178 -5.8764 3  223.1155440  5951614042723 5 2    2624 3 2      C-13-H3C(O)CH3
  241038.0267  0.0247 -5.4698 3  792.5716412  595161404514210 4    514111 4      C-13-H3C(O)CH3
  241038.2439  0.0041 -4.3315 3   45.0447108  5951614041310 3 3    12 9 4 3      C-13-H3C(O)CH3
  241051.8221  0.0195 -5.1689 3  792.5598824  5951614045142 9 2    514110 2      C-13-H3C(O)CH3
  241062.9539  0.0256 -5.4700 3  792.5873412  5951614045142 9 4    514110 4      C-13-H3C(O)CH3
  241065.7203  0.0192 -5.1688 3  792.5592824  595161404514210 2    514111 2      C-13-H3C(O)CH3
  241077.3875  0.0244 -5.4699 3  792.5869412  5951614045142 9 3    514110 3      C-13-H3C(O)CH3
  241092.8821  0.0164 -5.1268 3  668.8407744  5951614044641 6 2    4640 7 2      C-13-H3C(O)CH3
  241104.8624  0.0357 -5.5865 3  902.2348444  595161404554313 4    554214 4      C-13-H3C(O)CH3
  241117.4712  0.0056 -7.1658 3  261.6467284  59516140435 828 4    35 729 4      C-13-H3C(O)CH3
  241117.4712  0.0056 -4.6752 3  261.6467284  59516140435 728 4    35 729 4      C-13-H3C(O)CH3
  241117.4712  0.0056 -7.1658 3  261.6467284  59516140435 728 4    35 629 4      C-13-H3C(O)CH3
  241117.4712  0.0056 -4.6752 3  261.6467284  59516140435 828 4    35 629 4      C-13-H3C(O)CH3
  241117.7020  0.0050 -4.6754 3  261.6467284  59516140435 828 3    35 629 3      C-13-H3C(O)CH3
  241117.7020  0.0050 -4.6754 3  261.6467284  59516140435 728 3    35 729 3      C-13-H3C(O)CH3
  241117.7020  0.0050 -7.1011 3  261.6467284  59516140435 728 3    35 629 3      C-13-H3C(O)CH3
  241117.7020  0.0050 -7.1011 3  261.6467284  59516140435 828 3    35 729 3      C-13-H3C(O)CH3
  241137.2709  0.0225 -5.4276 3  668.8292372  5951614044641 6 4    4640 7 4      C-13-H3C(O)CH3
  241147.0700  0.0321 -5.5863 3  902.2355444  595161404554313 3    554214 3      C-13-H3C(O)CH3
  241150.5576  0.5812 -6.9450 3 1887.0713D36  595161404834736 1    834637 1      C-13-H3C(O)CH3
  241157.9540  0.0198 -5.1686 3  792.5459824  595161404514210 1    514111 1      C-13-H3C(O)CH3
  241160.4761  0.0179 -6.1766 3  223.0763220  5951614042723 4 3    2624 2 3      C-13-H3C(O)CH3
  241182.1815  0.0477 -5.9227 3  538.5324324  5951614044040 0 4    4039 1 4      C-13-H3C(O)CH3
  241185.7770  0.0175 -5.1686 3  792.5335824  5951614045142 9 0    514110 0      C-13-H3C(O)CH3
  241185.7770  0.0175 -5.1686 3  792.5335824  595161404514210 0    514111 0      C-13-H3C(O)CH3
  241196.3657  0.2751 -6.6539 3 1576.5245612  595161404764234 4    764135 4      C-13-H3C(O)CH3
  241196.3863  0.2754 -6.6539 3 1576.5245612  595161404764234 3    764135 3      C-13-H3C(O)CH3
  241197.0229  0.0043 -4.5135 3   43.4489108  59516140413 9 4 3    12 8 5 3      C-13-H3C(O)CH3
  241198.0065  0.0200 -5.1686 3  792.5611824  5951614045142 9 1    514110 1      C-13-H3C(O)CH3
  241200.8285  0.0267 -5.2852 3  902.2058888  595161404554313 2    554214 2      C-13-H3C(O)CH3
  241228.7260  0.2397 -6.3527 3 1576.5155C24  595161404764234 1    764135 1      C-13-H3C(O)CH3
  241230.0450  0.3295 -6.9854 3 1751.9160644  595161404804635 3    804536 3      C-13-H3C(O)CH3
  241230.0458  0.3305 -6.9854 3 1751.9160644  595161404804635 4    804536 4      C-13-H3C(O)CH3
  241233.7002  0.0183 -6.1773 3  223.0429220  5951614042723 5 4    2624 3 4      C-13-H3C(O)CH3
  241235.5979  0.0322 -5.5862 3  902.2438444  595161404554312 3    554213 3      C-13-H3C(O)CH3
  241236.6222  0.0151 -5.1267 3  668.8470744  5951614044641 5 0    4640 7 0      C-13-H3C(O)CH3
  241236.6222  0.0151 -5.1267 3  668.8470744  5951614044641 6 0    4640 6 0      C-13-H3C(O)CH3
  241238.0453  0.0100 -5.3860 3  341.5648568  595161404352213 0    351916 0      C-13-H3C(O)CH3
  241240.0751  0.8017 -7.1297 3 1973.7923D52  595161404845430 0    845331 0      C-13-H3C(O)CH3
  241245.1530  0.3415 -6.6843 3 1751.9132C88  595161404804635 1    804536 1      C-13-H3C(O)CH3
  241248.4585  0.3325 -6.6844 3 1751.9177C88  595161404804635 2    804536 2      C-13-H3C(O)CH3
  241251.6990  0.0161 -5.1266 3  668.8614744  5951614044641 5 2    4640 6 2      C-13-H3C(O)CH3
  241254.0273  0.0196 -5.4275 3  668.8690372  5951614044641 5 3    4640 6 3      C-13-H3C(O)CH3
  241255.1724  0.5902 -6.9447 3 1887.0782D36  595161404834736 0    834637 0      C-13-H3C(O)CH3
  241258.2717  0.0218 -6.0437 3  134.7478180  5951614042215 7 4    2116 6 4      C-13-H3C(O)CH3
  241263.2473  0.3428 -6.6843 3 1751.9149C88  595161404804635 0    804536 0      C-13-H3C(O)CH3
  241263.7368  0.8688 -7.1675 3 1973.7830D52  595161404845430 2    845331 2      C-13-H3C(O)CH3
  241271.6127  0.2792 -6.3526 3 1576.5202C24  595161404764234 2    764135 2      C-13-H3C(O)CH3
  241277.4546  0.0300 -5.5860 3  902.2443444  595161404554312 4    554213 4      C-13-H3C(O)CH3
  241279.5850  0.7333 -6.9446 3 1887.0769D36  595161404834736 2    834637 2      C-13-H3C(O)CH3
  241281.0475  0.0174 -5.1264 3  668.8354744  5951614044641 6 1    4640 7 1      C-13-H3C(O)CH3
  241287.9422  0.0041 -5.5910 3  261.6486568  59516140435 828 2    35 629 2      C-13-H3C(O)CH3
  241287.9422  0.0041 -5.5910 3  261.6486568  59516140435 728 2    35 729 2      C-13-H3C(O)CH3
  241287.9909  0.0041 -4.3990 3  261.6486568 -59516140435 728 2    35 629 2      C-13-H3C(O)CH3
  241287.9909  0.0041 -4.3990 3  261.6486568 -59516140435 828 2    35 729 2      C-13-H3C(O)CH3
  241291.1474  0.0044 -4.4877 3  261.6493568  59516140435 828 1    35 629 1      C-13-H3C(O)CH3
  241291.1474  0.0044 -4.7081 3  261.6493568  59516140435 728 1    35 729 1      C-13-H3C(O)CH3
  241291.1876  0.0044 -4.6406 3  261.6493568 -59516140435 828 1    35 729 1      C-13-H3C(O)CH3
  241291.1876  0.0044 -5.0031 3  261.6493568 -59516140435 728 1    35 629 1      C-13-H3C(O)CH3
  241295.1385  0.0209 -5.4273 3  668.8499372  5951614044641 6 3    4640 7 3      C-13-H3C(O)CH3
  241302.8685  0.1640 -6.3419 3 1409.9189580  595161404723933 4    723834 4      C-13-H3C(O)CH3
  241302.8940  0.1641 -6.3419 3 1409.9189580  595161404723933 3    723834 3      C-13-H3C(O)CH3
  241303.8201  0.2409 -6.3525 3 1576.5112C24  595161404764234 0    764135 0      C-13-H3C(O)CH3
  241304.6224  0.0108 -5.3853 3  341.5353568  595161404352213 2    351916 2      C-13-H3C(O)CH3
  241307.8064  0.0253 -5.2850 3  902.2009888  595161404554313 1    554214 1      C-13-H3C(O)CH3
  241329.6635  0.8431 -7.1535 3 1973.8076D52  595161404845430 1    845331 1      C-13-H3C(O)CH3
  241330.7815  0.0250 -5.2849 3  902.2147888  595161404554312 2    554213 2      C-13-H3C(O)CH3
  241341.8254  0.1483 -6.0407 3 1409.9047B60  595161404723933 1    723834 1      C-13-H3C(O)CH3
  241349.4544  0.0231 -5.2848 3  902.2015888  595161404554312 1    554213 1      C-13-H3C(O)CH3
  241350.7396  0.0165 -5.8765 3  148.4855376  5951614042316 8 1    2217 5 1      C-13-H3C(O)CH3
  241352.5819  0.0205 -6.1750 3  223.0965220  5951614042723 4 4    2624 2 4      C-13-H3C(O)CH3
  241361.9225  0.0114 -5.3870 3  341.5436568  595161404352213 1    351916 1      C-13-H3C(O)CH3
  241363.1618  0.1650 -6.0407 3 1409.9086B60  595161404723933 2    723834 2      C-13-H3C(O)CH3
  241398.8653  0.0155 -5.1263 3  668.8753744  5951614044641 5 1    4640 6 1      C-13-H3C(O)CH3
  241401.9136  0.1487 -6.0405 3 1409.8944B60  595161404723933 0    723834 0      C-13-H3C(O)CH3
  241402.8164  0.0224 -5.2847 3  902.1718888  595161404554312 0    554213 0      C-13-H3C(O)CH3
  241402.8173  0.0224 -5.2847 3  902.1718888  595161404554313 0    554214 0      C-13-H3C(O)CH3
  241403.9968  0.0031 -4.2063 3   43.3594216 -59516140413 9 4 0    12 8 5 0      C-13-H3C(O)CH3
  241411.0107  0.0024 -4.0005 3   44.9671216 -5951614041310 3 0    12 9 4 0      C-13-H3C(O)CH3
  241413.4143  0.0205 -5.4273 3  668.8896372  5951614044641 5 4    4640 6 4      C-13-H3C(O)CH3
  241415.4427  0.0040 -4.2240 3   43.4026216 -59516140413 9 4 2    12 8 5 2      C-13-H3C(O)CH3
  241417.5428  0.0102 -5.6872 3  341.5142284  595161404352213 4    351916 4      C-13-H3C(O)CH3
  241424.9365  0.0173 -6.1756 3  223.0631220  5951614042723 5 3    2624 3 3      C-13-H3C(O)CH3
  241432.9665  0.0159 -5.7480 3  148.4901376  5951614042316 8 2    2217 5 2      C-13-H3C(O)CH3
  241435.6591  0.0150 -5.6873 3  341.5141284  595161404352213 3    351916 3      C-13-H3C(O)CH3
  241449.5012  0.0163 -6.8835 3  107.1203156  5951614041916 4 4    1913 7 4      C-13-H3C(O)CH3
  241461.1127  0.0040 -4.3713 3  261.6512568 -59516140435 728 0    35 629 0      C-13-H3C(O)CH3
  241461.1127  0.0040 -4.3713 3  261.6512568 -59516140435 828 0    35 729 0      C-13-H3C(O)CH3
  241486.9728  0.0064 -4.7528 3  240.5166276  59516140434 628 4    34 629 4      C-13-H3C(O)CH3
  241486.9728  0.0064 -4.7528 3  240.5166276  59516140434 728 4    34 529 4      C-13-H3C(O)CH3
  241486.9728  0.0064 -5.5730 3  240.5166276  59516140434 628 4    34 529 4      C-13-H3C(O)CH3
  241486.9728  0.0064 -5.5730 3  240.5166276  59516140434 728 4    34 629 4      C-13-H3C(O)CH3
  241487.1583  0.0057 -5.9840 3  240.5165276  59516140434 628 3    34 629 3      C-13-H3C(O)CH3
  241487.1583  0.0057 -4.7143 3  240.5165276  59516140434 628 3    34 529 3      C-13-H3C(O)CH3
  241487.1583  0.0057 -5.9840 3  240.5165276  59516140434 728 3    34 529 3      C-13-H3C(O)CH3
  241487.1583  0.0057 -4.7143 3  240.5165276  59516140434 728 3    34 629 3      C-13-H3C(O)CH3
  241488.5607  0.1536 -6.3413 3 1409.9199580  595161404724033 4    723934 4      C-13-H3C(O)CH3
  241488.6733  0.1534 -6.3413 3 1409.9198580  595161404724033 3    723934 3      C-13-H3C(O)CH3
  241491.3264  0.0038 -4.2301 3   43.4025216 -59516140413 9 4 1    12 8 5 1      C-13-H3C(O)CH3
  241522.1576  0.0020 -6.3331 3   93.7864180  59516140422 419 3    21 418 3      C-13-H3C(O)CH3
  241522.1870  0.0020 -3.9757 3   93.7864180 -59516140422 319 3    21 418 3      C-13-H3C(O)CH3
  241522.1870  0.0020 -3.9763 3   93.7865180 -59516140422 319 4    21 418 4      C-13-H3C(O)CH3
  241522.1870  0.0020 -6.0734 3   93.7865180 -59516140422 419 4    21 418 4      C-13-H3C(O)CH3
  241522.1870  0.0020 -3.9782 3   93.7864180 -59516140422 419 3    21 318 3      C-13-H3C(O)CH3
  241522.1998  0.0020 -6.8336 3   93.7865180  59516140422 319 4    21 318 4      C-13-H3C(O)CH3
  241522.1998  0.0020 -3.9792 3   93.7865180  59516140422 419 4    21 318 4      C-13-H3C(O)CH3
  241523.9946  0.1475 -6.0401 3 1409.9057B60  595161404724033 1    723934 1      C-13-H3C(O)CH3
  241536.7440  0.1541 -6.0401 3 1409.9095B60  595161404724033 2    723934 2      C-13-H3C(O)CH3
  241566.7123  0.0021 -6.1117 3   93.7439360  59516140422 419 1    21 418 1      C-13-H3C(O)CH3
  241566.7123  0.0021 -6.1177 3   93.7439360  59516140422 319 1    21 318 1      C-13-H3C(O)CH3
  241566.8462  0.0021 -3.6761 3   93.7439360 -59516140422 319 1    21 418 1      C-13-H3C(O)CH3
  241566.8462  0.0020 -3.6755 3   93.7433360 -59516140422 419 2    21 318 2      C-13-H3C(O)CH3
  241566.8462  0.0020 -3.6748 3   93.7433360 -59516140422 319 2    21 418 2      C-13-H3C(O)CH3
  241566.8462  0.0021 -3.6761 3   93.7439360 -59516140422 419 1    21 318 1      C-13-H3C(O)CH3
  241567.0125  0.0020 -6.9923 3   93.7433360  59516140422 319 2    21 318 2      C-13-H3C(O)CH3
  241567.0125  0.0020 -6.3202 3   93.7433360  59516140422 419 2    21 418 2      C-13-H3C(O)CH3
  241572.0614  0.1479 -6.0399 3 1409.8953B60  595161404724033 0    723934 0      C-13-H3C(O)CH3
  241572.5182  0.0053 -6.2103 3   18.1654152  595161404 9 7 2 2     8 4 5 2      C-13-H3C(O)CH3
  241574.8850  0.0052 -6.1369 3   18.1018152  595161404 9 7 2 0     8 4 5 0      C-13-H3C(O)CH3
  241579.8920  0.0274 -6.4146 3  224.2072228  5951614042820 9 4    281711 4      C-13-H3C(O)CH3
  241586.1701  0.0052 -6.2216 3   18.1661152  595161404 9 7 2 1     8 4 5 1      C-13-H3C(O)CH3
  241611.4491  0.0018 -6.5038 3   93.7008360  59516140422 319 0    21 318 0      C-13-H3C(O)CH3
  241611.4491  0.0018 -3.6744 3   93.7008360  59516140422 419 0    21 318 0      C-13-H3C(O)CH3
  241611.4510  0.0018 -3.6750 3   93.7008360 -59516140422 319 0    21 418 0      C-13-H3C(O)CH3
  241694.8658  0.0047 -4.6369 3  240.5099552 -59516140434 728 2    34 629 2      C-13-H3C(O)CH3
  241694.8658  0.0047 -5.0437 3  240.5099552 -59516140434 628 2    34 529 2      C-13-H3C(O)CH3
  241694.8940  0.0047 -4.7519 3  240.5099552  59516140434 628 2    34 629 2      C-13-H3C(O)CH3
  241694.8940  0.0047 -4.4984 3  240.5099552  59516140434 728 2    34 529 2      C-13-H3C(O)CH3
  241697.7286  0.0051 -5.6177 3  240.5105552  59516140434 628 1    34 629 1      C-13-H3C(O)CH3
  241697.7286  0.0051 -5.6177 3  240.5105552  59516140434 728 1    34 529 1      C-13-H3C(O)CH3
  241697.7397  0.0051 -4.4161 3  240.5105552 -59516140434 728 1    34 629 1      C-13-H3C(O)CH3
  241697.7397  0.0051 -4.4161 3  240.5105552 -59516140434 628 1    34 529 1      C-13-H3C(O)CH3
  241782.5521  0.0053 -4.5776 3   43.4429108  59516140413 9 4 4    12 8 5 4      C-13-H3C(O)CH3
  241788.3164  0.0053 -4.6299 3  581.7429776  595161404482029 0    481930 0      C-13-H3C(O)CH3
  241788.3164  0.0053 -4.6299 3  581.7429776  595161404481929 0    481830 0      C-13-H3C(O)CH3
  241822.6719  0.0075 -5.6361 3  219.9796268  59516140433 528 4    33 429 4      C-13-H3C(O)CH3
  241822.6719  0.0075 -4.7792 3  219.9796268  59516140433 528 4    33 529 4      C-13-H3C(O)CH3
  241822.6719  0.0075 -4.7792 3  219.9796268  59516140433 628 4    33 429 4      C-13-H3C(O)CH3
  241822.6719  0.0075 -5.6361 3  219.9796268  59516140433 628 4    33 529 4      C-13-H3C(O)CH3
  241822.7823  0.0067 -5.3246 3  219.9796268  59516140433 528 3    33 529 3      C-13-H3C(O)CH3
  241822.7823  0.0067 -4.8477 3  219.9796268  59516140433 528 3    33 429 3      C-13-H3C(O)CH3
  241822.7823  0.0067 -4.8477 3  219.9796268  59516140433 628 3    33 529 3      C-13-H3C(O)CH3
  241822.7823  0.0067 -5.3246 3  219.9796268  59516140433 628 3    33 429 3      C-13-H3C(O)CH3
  241835.4086  0.0068 -4.6296 3  581.7209776  595161404482029 2    481930 2      C-13-H3C(O)CH3
  241835.4086  0.0068 -4.6296 3  581.7209776  595161404481929 2    481830 2      C-13-H3C(O)CH3
  241837.6503  0.0059 -4.6296 3  581.7219776  595161404481929 1    481830 1      C-13-H3C(O)CH3
  241837.6504  0.0059 -4.6296 3  581.7219776  595161404482029 1    481930 1      C-13-H3C(O)CH3
  241850.0766  0.2317 -6.6516 3 1576.5285612  595161404764334 4    764235 4      C-13-H3C(O)CH3
  241850.1882  0.2312 -6.6516 3 1576.5285612  595161404764334 3    764235 3      C-13-H3C(O)CH3
  241878.6670  0.2284 -6.3505 3 1576.5194C24  595161404764334 1    764235 1      C-13-H3C(O)CH3
  241884.8213  0.0069 -4.9303 3  581.6998388  595161404481929 3    481830 3      C-13-H3C(O)CH3
  241884.8214  0.0069 -4.9303 3  581.6998388  595161404482029 3    481930 3      C-13-H3C(O)CH3
  241884.8825  0.0070 -4.9303 3  581.6998388  595161404482029 4    481930 4      C-13-H3C(O)CH3
  241884.8825  0.0070 -4.9303 3  581.6998388  595161404481929 4    481830 4      C-13-H3C(O)CH3
  241891.6878  0.2325 -6.3505 3 1576.5238C24  595161404764334 2    764235 2      C-13-H3C(O)CH3
  241905.0570  0.0045 -4.4517 3  240.5039552  59516140434 728 0    34 529 0      C-13-H3C(O)CH3
  241905.0570  0.0045 -4.4517 3  240.5039552  59516140434 628 0    34 629 0      C-13-H3C(O)CH3
  241905.0952  0.0045 -5.2581 3  240.5039552 -59516140434 628 0    34 529 0      C-13-H3C(O)CH3
  241905.0952  0.0045 -5.2581 3  240.5039552 -59516140434 728 0    34 629 0      C-13-H3C(O)CH3
  241910.4356  0.0052 -6.6042 3   18.2299 76  595161404 9 7 2 4     8 4 5 4      C-13-H3C(O)CH3
  241920.0983  0.2291 -6.3503 3 1576.5149C24  595161404764334 0    764235 0      C-13-H3C(O)CH3
  241986.4781  0.0179 -6.1632 3  224.2228456  5951614042820 9 1    281711 1      C-13-H3C(O)CH3
  242030.5277  0.0086 -6.4187 3  341.6230292  595161404361719 3    352016 3      C-13-H3C(O)CH3
  242031.0036  0.0087 -6.4186 3  341.6230292  595161404361719 4    352016 4      C-13-H3C(O)CH3
  242031.8188  0.0137 -5.0017 3  824.2554904  595161404562630 0    562531 0      C-13-H3C(O)CH3
  242031.8499  0.0137 -5.0017 3  824.2554904  595161404562730 0    562631 0      C-13-H3C(O)CH3
  242052.3263  0.0086 -6.1180 3  341.6506584  595161404361719 1    352016 1      C-13-H3C(O)CH3
  242060.3499  0.0151 -5.0015 3  824.2568904  595161404562630 1    562531 1      C-13-H3C(O)CH3
  242060.3860  0.0151 -5.0015 3  824.2568904  595161404562730 1    562631 1      C-13-H3C(O)CH3
  242061.6646  0.0196 -5.0015 3  824.2570904  595161404562630 2    562531 2      C-13-H3C(O)CH3
  242061.6997  0.0196 -5.0015 3  824.2570904  595161404562730 2    562631 2      C-13-H3C(O)CH3
  242071.0917  0.0060 -6.5270 3  219.9631536 -59516140433 628 2    33 429 2      C-13-H3C(O)CH3
  242071.0917  0.0060 -6.5270 3  219.9631536 -59516140433 528 2    33 529 2      C-13-H3C(O)CH3
  242071.1000  0.0060 -4.4238 3  219.9631536  59516140433 528 2    33 429 2      C-13-H3C(O)CH3
  242071.1000  0.0060 -4.4238 3  219.9631536  59516140433 628 2    33 529 2      C-13-H3C(O)CH3
  242073.4812  0.0065 -6.9911 3  219.9637536 -59516140433 528 1    33 429 1      C-13-H3C(O)CH3
  242073.4812  0.0065 -6.9911 3  219.9637536 -59516140433 628 1    33 529 1      C-13-H3C(O)CH3
  242073.5021  0.0065 -4.4217 3  219.9637536  59516140433 628 1    33 429 1      C-13-H3C(O)CH3
  242073.5021  0.0065 -4.4217 3  219.9637536  59516140433 528 1    33 529 1      C-13-H3C(O)CH3
  242090.2526  0.0202 -5.3023 3  824.2584452  595161404562630 3    562531 3      C-13-H3C(O)CH3
  242090.2932  0.0202 -5.3023 3  824.2584452  595161404562730 3    562631 3      C-13-H3C(O)CH3
  242090.3575  0.0203 -5.3023 3  824.2584452  595161404562630 4    562531 4      C-13-H3C(O)CH3
  242090.3978  0.0203 -5.3023 3  824.2584452  595161404562730 4    562631 4      C-13-H3C(O)CH3
  242118.2526  0.0087 -6.1152 3  341.6447584  595161404361719 2    352016 2      C-13-H3C(O)CH3
  242126.6343  0.0079 -5.7786 3  200.0370260  59516140432 428 3    32 429 3      C-13-H3C(O)CH3
  242126.6343  0.0079 -4.8176 3  200.0370260  59516140432 528 3    32 429 3      C-13-H3C(O)CH3
  242126.6343  0.0079 -5.7786 3  200.0370260  59516140432 528 3    32 329 3      C-13-H3C(O)CH3
  242126.6343  0.0079 -4.8176 3  200.0370260  59516140432 428 3    32 329 3      C-13-H3C(O)CH3
  242126.6346  0.0088 -4.8585 3  200.0371260  59516140432 528 4    32 429 4      C-13-H3C(O)CH3
  242126.6346  0.0088 -4.8585 3  200.0371260  59516140432 428 4    32 329 4      C-13-H3C(O)CH3
  242126.6346  0.0088 -5.5185 3  200.0371260  59516140432 528 4    32 329 4      C-13-H3C(O)CH3
  242126.6346  0.0088 -5.5185 3  200.0371260  59516140432 428 4    32 429 4      C-13-H3C(O)CH3
  242130.8829  0.0226 -6.6737 3  224.2075228  5951614042820 9 3    281711 3      C-13-H3C(O)CH3
  242139.6132  0.0076 -6.1156 3  341.6722584  595161404361719 0    352016 0      C-13-H3C(O)CH3
  242172.9502  0.2163 -6.3627 3 1396.4436564  595161404704823 4    704724 4      C-13-H3C(O)CH3
  242195.5439  0.0073 -5.0941 3  148.4764376  5951614042316 8 0    2217 5 0      C-13-H3C(O)CH3
  242241.1904  0.4072 -6.7156 3 1589.7412604  595161404755026 4    754927 4      C-13-H3C(O)CH3
  242267.9522  0.0091 -4.5900 3   44.9940216  5951614041310 3 2    12 9 4 2      C-13-H3C(O)CH3
  242285.7092  0.0139 -5.5861 3  201.7100424  5951614042621 6 0    2522 3 0      C-13-H3C(O)CH3
  242286.3112  0.0139 -5.5860 3  201.7100424  5951614042621 5 0    2522 4 0      C-13-H3C(O)CH3
  242294.1542  0.4667 -7.0543 3 1589.7653604  595161404755026 3    754926 3      C-13-H3C(O)CH3
  242316.5622  0.0049 -7.1331 3   60.8636248  5951614041511 4 0    15 6 9 0      C-13-H3C(O)CH3
  242321.3104  0.0056 -5.0232 3  219.9473536  59516140433 628 0    33 529 0      C-13-H3C(O)CH3
  242321.3104  0.0056 -4.5437 3  219.9473536  59516140433 528 0    33 529 0      C-13-H3C(O)CH3
  242321.3346  0.0056 -5.0232 3  219.9473536 -59516140433 528 0    33 429 0      C-13-H3C(O)CH3
  242321.3346  0.0056 -4.5437 3  219.9473536 -59516140433 628 0    33 429 0      C-13-H3C(O)CH3
  242329.8005  0.2484 -6.0614 3 1396.4229B28  595161404704823 1    704724 1      C-13-H3C(O)CH3
  242357.0009  0.0179 -5.1543 3  647.1890728  5951614044541 5 2    4540 6 2      C-13-H3C(O)CH3
  242366.0349  0.4546 -6.4377 3 1589.7357C08  595161404755026 1    754927 1      C-13-H3C(O)CH3
  242370.0627  1.1404 -6.9699 3 1589.7653604  595161404755025 3    754926 3      C-13-H3C(O)CH3
  242400.6837  0.0095 -5.3243 3  180.6897252  59516140431 428 3    31 229 3      C-13-H3C(O)CH3
  242400.6837  0.0095 -5.3243 3  180.6897252  59516140431 328 3    31 329 3      C-13-H3C(O)CH3
  242400.6837  0.0095 -5.0297 3  180.6897252  59516140431 428 3    31 329 3      C-13-H3C(O)CH3
  242400.6837  0.0095 -5.0297 3  180.6897252  59516140431 328 3    31 229 3      C-13-H3C(O)CH3
  242400.8364  0.0104 -6.2052 3  180.6898252  59516140431 428 4    31 229 4      C-13-H3C(O)CH3
  242400.8364  0.0104 -4.8711 3  180.6898252  59516140431 428 4    31 329 4      C-13-H3C(O)CH3
  242400.8364  0.0104 -6.2052 3  180.6898252  59516140431 328 4    31 329 4      C-13-H3C(O)CH3
  242400.8364  0.0104 -4.8711 3  180.6898252  59516140431 328 4    31 229 4      C-13-H3C(O)CH3
  242418.5395  0.0081 -4.4741 3  200.0093520  59516140432 528 2    32 329 2      C-13-H3C(O)CH3
  242418.5395  0.0081 -6.5099 3  200.0093520  59516140432 428 2    32 329 2      C-13-H3C(O)CH3
  242418.5395  0.0081 -4.4712 3  200.0093520  59516140432 428 2    32 429 2      C-13-H3C(O)CH3
  242418.5395  0.0081 -7.0712 3  200.0093520  59516140432 528 2    32 429 2      C-13-H3C(O)CH3
  242419.3768  0.2363 -6.4035 3 1396.4628564  595161404704823 3    704724 3      C-13-H3C(O)CH3
  242420.4503  0.0086 -5.3260 3  200.0098520  59516140432 528 1    32 329 1      C-13-H3C(O)CH3
  242420.4503  0.0086 -4.5354 3  200.0098520  59516140432 528 1    32 429 1      C-13-H3C(O)CH3
  242420.4503  0.0086 -4.5354 3  200.0098520  59516140432 428 1    32 329 1      C-13-H3C(O)CH3
  242420.4503  0.0086 -5.3260 3  200.0098520  59516140432 428 1    32 429 1      C-13-H3C(O)CH3
  242428.4103  0.0243 -5.4550 3  647.1731364  5951614044541 5 4    4540 6 4      C-13-H3C(O)CH3
  242433.1905  0.0459 -5.6483 3 1028.0696500  595161404623131 3    623032 3      C-13-H3C(O)CH3
  242433.2325  0.0460 -5.6483 3 1028.0697500  595161404623131 4    623032 4      C-13-H3C(O)CH3
  242434.9501  0.0458 -5.6483 3 1028.0697500  595161404623231 3    623132 3      C-13-H3C(O)CH3
  242434.9859  0.0459 -5.6483 3 1028.0697500  595161404623231 4    623132 4      C-13-H3C(O)CH3
  242438.1979  0.0388 -5.3473 3 1028.0555A00  595161404623131 1    623032 1      C-13-H3C(O)CH3
  242438.8770  0.0087 -4.6595 3   44.9893216  5951614041310 3 1    12 9 4 1      C-13-H3C(O)CH3
  242439.8334  0.0389 -5.3473 3 1028.0555A00  595161404623231 1    623132 1      C-13-H3C(O)CH3
  242442.9480  0.0449 -5.3473 3 1028.0570A00  595161404623131 2    623032 2      C-13-H3C(O)CH3
  242444.5132  0.0449 -5.3473 3 1028.0570A00  595161404623231 2    623132 2      C-13-H3C(O)CH3
  242447.9561  0.0377 -5.3473 3 1028.0428A00  595161404623131 0    623032 0      C-13-H3C(O)CH3
  242449.4102  0.0377 -5.3473 3 1028.0428A00  595161404623231 0    623132 0      C-13-H3C(O)CH3
  242454.0301  0.9626 -7.0134 3 1883.8132D20  595161404825330 2    825231 2      C-13-H3C(O)CH3
  242456.2109  0.3795 -6.4075 3 1589.7171C08  595161404755025 0    754926 0      C-13-H3C(O)CH3
  242457.0300  0.2197 -6.0611 3 1396.4146B28  595161404704823 2    704724 2      C-13-H3C(O)CH3
  242494.9047  0.0161 -5.1542 3  647.2036728  5951614044541 5 0    4540 5 0      C-13-H3C(O)CH3
  242494.9047  0.0161 -5.1542 3  647.2036728  5951614044541 4 0    4540 6 0      C-13-H3C(O)CH3
  242501.9314  0.2265 -6.4033 3 1396.4649564  595161404704822 3    704723 3      C-13-H3C(O)CH3
  242516.2841  0.3833 -6.4247 3 1589.7157C08  595161404755026 2    754927 2      C-13-H3C(O)CH3
  242523.3015  0.0124 -5.5842 3  201.6916424  5951614042621 5 2    2522 3 2      C-13-H3C(O)CH3
  242554.5007  0.0216 -5.4549 3  647.2190364  5951614044541 4 3    4540 5 3      C-13-H3C(O)CH3
  242559.0897  0.0174 -5.1540 3  647.2161728  5951614044541 4 2    4540 5 2      C-13-H3C(O)CH3
  242566.4658  0.0187 -5.1539 3  647.1876728  5951614044541 5 1    4540 6 1      C-13-H3C(O)CH3
  242568.1840  0.8675 -7.0139 3 1883.8399D20  595161404825330 1    825231 1      C-13-H3C(O)CH3
  242586.4460  0.0133 -5.5854 3  201.6384424  5951614042621 6 1    2522 4 1      C-13-H3C(O)CH3
  242587.3832  0.0168 -5.7476 3  148.4481188  5951614042316 8 3    2217 5 3      C-13-H3C(O)CH3
  242589.3898  0.0475 -5.7064 3  991.8046468  595161404584415 4    584316 4      C-13-H3C(O)CH3
  242597.0651  0.2382 -6.0603 3 1396.3946B28  595161404704822 0    704723 0      C-13-H3C(O)CH3
  242601.3189  0.0023 -5.0728 3   96.3161188  59516140423 221 3    22 220 3      C-13-H3C(O)CH3
  242601.3189  0.0023 -5.0728 3   96.3161188  59516140423 321 3    22 320 3      C-13-H3C(O)CH3
  242601.3561  0.0022 -4.3302 3   96.3161188  59516140423 321 4    22 320 4      C-13-H3C(O)CH3
  242601.3561  0.0022 -4.3302 3   96.3161188  59516140423 221 4    22 220 4      C-13-H3C(O)CH3
  242601.3645  0.0023 -3.9588 3   96.3161188 -59516140423 221 3    22 320 3      C-13-H3C(O)CH3
  242601.3645  0.0022 -4.1448 3   96.3161188 -59516140423 321 4    22 220 4      C-13-H3C(O)CH3
  242601.3645  0.0022 -4.1448 3   96.3161188 -59516140423 221 4    22 320 4      C-13-H3C(O)CH3
  242601.3645  0.0023 -3.9588 3   96.3161188 -59516140423 321 3    22 220 3      C-13-H3C(O)CH3
  242618.1344  0.4084 -6.4245 3 1589.7385C08  595161404755025 2    754926 2      C-13-H3C(O)CH3
  242626.7561  1.0368 -6.9689 3 1589.7542604  595161404755026 3    754927 3      C-13-H3C(O)CH3
  242629.7155  0.0223 -5.4547 3  647.2001364  5951614044541 5 3    4540 6 3      C-13-H3C(O)CH3
  242629.8096  0.2377 -6.0602 3 1396.3934B28  595161404704823 0    704724 0      C-13-H3C(O)CH3
  242632.1992  0.0218 -6.1376 3  224.2075228  5951614042820 8 3    281711 3      C-13-H3C(O)CH3
  242634.8391  0.0023 -5.6781 3   96.2665376  59516140423 221 1    22 220 1      C-13-H3C(O)CH3
  242634.8391  0.0023 -5.4372 3   96.2665376  59516140423 321 1    22 320 1      C-13-H3C(O)CH3
  242634.9316  0.0023 -4.4051 3   96.2660376 -59516140423 321 2    22 320 2      C-13-H3C(O)CH3
  242634.9316  0.0023 -3.7118 3   96.2660376 -59516140423 221 2    22 220 2      C-13-H3C(O)CH3
  242634.9316  0.0023 -3.6322 3   96.2665376 -59516140423 221 1    22 320 1      C-13-H3C(O)CH3
  242634.9316  0.0023 -3.6293 3   96.2665376 -59516140423 321 1    22 220 1      C-13-H3C(O)CH3
  242635.0193  0.0023 -3.7043 3   96.2660376  59516140423 221 2    22 320 2      C-13-H3C(O)CH3
  242635.0193  0.0023 -4.3694 3   96.2660376  59516140423 321 2    22 220 2      C-13-H3C(O)CH3
  242638.5297  0.5881 -6.9529 3 1883.8204D20  595161404825330 0    825231 0      C-13-H3C(O)CH3
  242646.8179  0.0114 -5.1412 3  161.9387244  59516140430 228 3    30 129 3      C-13-H3C(O)CH3
  242646.8179  0.0114 -5.4966 3  161.9387244  59516140430 228 3    30 229 3      C-13-H3C(O)CH3
  242646.8179  0.0114 -5.4966 3  161.9387244  59516140430 328 3    30 129 3      C-13-H3C(O)CH3
  242646.8179  0.0114 -5.1412 3  161.9387244  59516140430 328 3    30 229 3      C-13-H3C(O)CH3
  242647.1707  0.0123 -4.9962 3  161.9387244  59516140430 328 4    30 129 4      C-13-H3C(O)CH3
  242647.1707  0.0123 -6.4906 3  161.9387244  59516140430 228 4    30 129 4      C-13-H3C(O)CH3
  242647.1707  0.0123 -4.9962 3  161.9387244  59516140430 228 4    30 229 4      C-13-H3C(O)CH3
  242647.1707  0.0123 -6.4906 3  161.9387244  59516140430 328 4    30 229 4      C-13-H3C(O)CH3
  242664.0344  0.2305 -6.0606 3 1396.4440B28  595161404704822 1    704723 1      C-13-H3C(O)CH3
  242665.0021  0.3887 -6.4371 3 1589.7540C08  595161404755025 1    754926 1      C-13-H3C(O)CH3
  242668.4352  0.0020 -5.9273 3   96.2165376 -59516140423 321 0    22 220 0      C-13-H3C(O)CH3
  242668.4352  0.0020 -5.9273 3   96.2165376 -59516140423 221 0    22 320 0      C-13-H3C(O)CH3
  242668.4486  0.0020 -3.6274 3   96.2165376  59516140423 321 0    22 320 0      C-13-H3C(O)CH3
  242668.4486  0.0020 -3.6274 3   96.2165376  59516140423 221 0    22 220 0      C-13-H3C(O)CH3
  242669.1841  0.0133 -5.5842 3  201.6746424  5951614042621 5 1    2522 3 1      C-13-H3C(O)CH3
  242687.6643  0.0132 -6.6452 3  107.1208312  5951614041916 4 1    1913 7 1      C-13-H3C(O)CH3
  242690.1096  0.0435 -5.7061 3  991.8149468  595161404584415 3    584316 3      C-13-H3C(O)CH3
  242693.5779  0.0170 -5.1538 3  647.2336728  5951614044541 4 1    4540 5 1      C-13-H3C(O)CH3
  242696.5629  0.2238 -6.0605 3 1396.4341B28  595161404704822 2    704723 2      C-13-H3C(O)CH3
  242702.6647  0.4663 -7.0532 3 1589.7542604  595161404755025 3    754927 3      C-13-H3C(O)CH3
  242705.1354  0.0135 -5.5842 3  201.6498424  5951614042621 6 2    2522 4 2      C-13-H3C(O)CH3
  242711.7281  0.0076 -4.5770 3  199.9822520  59516140432 428 0    32 429 0      C-13-H3C(O)CH3
  242711.7281  0.0076 -5.1252 3  199.9822520  59516140432 528 0    32 429 0      C-13-H3C(O)CH3
  242711.7343  0.0076 -4.5770 3  199.9822520 -59516140432 528 0    32 329 0      C-13-H3C(O)CH3
  242711.7343  0.0076 -5.1252 3  199.9822520 -59516140432 428 0    32 329 0      C-13-H3C(O)CH3
  242713.7687  0.3744 -6.4066 3 1589.7071C08  595161404755026 0    754927 0      C-13-H3C(O)CH3
  242739.0714  0.0109 -5.5033 3  180.6494504  59516140431 328 2    31 329 2      C-13-H3C(O)CH3
  242739.0714  0.0109 -4.5998 3  180.6494504  59516140431 328 2    31 229 2      C-13-H3C(O)CH3
  242739.0714  0.0109 -4.5998 3  180.6494504  59516140431 428 2    31 329 2      C-13-H3C(O)CH3
  242739.0714  0.0109 -5.5033 3  180.6494504  59516140431 428 2    31 229 2      C-13-H3C(O)CH3
  242740.2752  0.0115 -5.1342 3  180.6499504 -59516140431 428 1    31 229 1      C-13-H3C(O)CH3
  242740.2752  0.0115 -4.6796 3  180.6499504 -59516140431 328 1    31 229 1      C-13-H3C(O)CH3
  242740.4364  0.0115 -4.6796 3  180.6499504  59516140431 428 1    31 329 1      C-13-H3C(O)CH3
  242740.4364  0.0115 -5.1342 3  180.6499504  59516140431 328 1    31 329 1      C-13-H3C(O)CH3
  242744.9337  0.0050 -4.5889 3  552.9901760  595161404471829 0    471730 0      C-13-H3C(O)CH3
  242744.9337  0.0050 -4.5889 3  552.9901760  595161404471929 0    471830 0      C-13-H3C(O)CH3
  242747.7184  0.2146 -6.3613 3 1396.4842564  595161404704822 4    704723 4      C-13-H3C(O)CH3
  242749.8292  0.0380 -5.4049 3  991.7751936  595161404584415 2    584316 2      C-13-H3C(O)CH3
  242755.1864  0.4408 -6.7144 3 1589.7784604  595161404755025 4    754926 4      C-13-H3C(O)CH3
  242757.6117  0.0229 -5.4546 3  647.2459364  5951614044541 4 4    4540 5 4      C-13-H3C(O)CH3
  242763.2001  0.0241 -5.4578 3  768.4042404  5951614045042 9 4    504110 4      C-13-H3C(O)CH3
  242775.7147  0.0183 -5.1569 3  768.3967808  5951614045042 9 2    504110 2      C-13-H3C(O)CH3
  242778.1189  0.0409 -5.7059 3  991.8189468  595161404584414 3    584315 3      C-13-H3C(O)CH3
  242788.4782  0.0061 -4.5886 3  552.9655760  595161404471829 2    471730 2      C-13-H3C(O)CH3
  242788.4782  0.0061 -4.5886 3  552.9655760  595161404471929 2    471830 2      C-13-H3C(O)CH3
  242791.0313  0.0055 -4.5886 3  552.9665760  595161404471929 1    471830 1      C-13-H3C(O)CH3
  242791.0313  0.0055 -4.5886 3  552.9665760  595161404471829 1    471730 1      C-13-H3C(O)CH3
  242794.2723  0.0240 -5.4578 3  768.4080404  5951614045042 9 3    504110 3      C-13-H3C(O)CH3
  242807.7096  0.0185 -5.1569 3  768.4005808  5951614045042 8 2    5041 9 2      C-13-H3C(O)CH3
  242816.1517  0.0344 -5.4047 3  991.7686936  595161404584415 1    584316 1      C-13-H3C(O)CH3
  242820.3087  0.0164 -6.4765 3  151.3437188  5951614042317 7 4    231410 4      C-13-H3C(O)CH3
  242820.9387  0.0140 -5.8846 3  201.6200212  5951614042621 6 3    2522 3 3      C-13-H3C(O)CH3
  242824.5829  0.0228 -5.4578 3  768.4244404  5951614045042 8 3    5041 9 3      C-13-H3C(O)CH3
  242834.6500  0.0063 -4.8894 3  552.9419380  595161404471929 3    471830 3      C-13-H3C(O)CH3
  242834.6500  0.0063 -4.8894 3  552.9419380  595161404471829 3    471730 3      C-13-H3C(O)CH3
  242834.6867  0.0063 -4.8893 3  552.9419380  595161404471929 4    471830 4      C-13-H3C(O)CH3
  242834.6867  0.0063 -4.8893 3  552.9419380  595161404471829 4    471730 4      C-13-H3C(O)CH3
  242856.2905  0.0238 -5.4578 3  768.4280404  5951614045042 8 4    5041 9 4      C-13-H3C(O)CH3
  242864.1934  0.0126 -5.6451 3  148.4388188  5951614042316 8 3    2217 6 3      C-13-H3C(O)CH3
  242866.8500  0.0138 -5.2401 3  143.7848236  59516140429 128 3    29 129 3      C-13-H3C(O)CH3
  242866.8500  0.0138 -5.2401 3  143.7848236  59516140429 228 3    29 029 3      C-13-H3C(O)CH3
  242867.4568  0.0146 -6.2827 3  143.7848236  59516140429 128 4    29 129 4      C-13-H3C(O)CH3
  242867.4568  0.0146 -5.2856 3  143.7848236  59516140429 128 4    29 029 4      C-13-H3C(O)CH3
  242867.4568  0.0146 -5.2806 3  143.7848236  59516140429 228 4    29 129 4      C-13-H3C(O)CH3
  242867.4568  0.0146 -6.2357 3  143.7848236  59516140429 228 4    29 029 4      C-13-H3C(O)CH3
  242870.0465  0.0180 -6.2637 3  224.2078456  5951614042820 9 2    281711 2      C-13-H3C(O)CH3
  242871.9995  0.0862 -5.9749 3 1212.0234540  595161404673532 4    673433 4      C-13-H3C(O)CH3
  242872.0091  0.0862 -5.9749 3 1212.0234540  595161404673532 3    673433 3      C-13-H3C(O)CH3
  242878.2304  0.0396 -5.7056 3  991.8292468  595161404584414 4    584315 4      C-13-H3C(O)CH3
  242892.2460  0.0853 -5.9748 3 1212.0235540  595161404673632 4    673533 4      C-13-H3C(O)CH3
  242892.2860  0.0852 -5.9748 3 1212.0235540  595161404673632 3    673533 3      C-13-H3C(O)CH3
  242895.9254  0.0194 -5.1566 3  768.3849808  5951614045042 9 1    504110 1      C-13-H3C(O)CH3
  242900.3394  0.0782 -5.6738 3 1212.0061A80  595161404673532 1    673433 1      C-13-H3C(O)CH3
  242905.8122  0.0165 -5.8834 3  201.6562212  5951614042621 5 4    2522 3 4      C-13-H3C(O)CH3
  242908.4846  0.0167 -5.1567 3  768.3774808  5951614045042 8 0    5041 9 0      C-13-H3C(O)CH3
  242908.4846  0.0167 -5.1567 3  768.3774808  5951614045042 9 0    504110 0      C-13-H3C(O)CH3
  242909.6790  0.0858 -5.6737 3 1212.0088A80  595161404673532 2    673433 2      C-13-H3C(O)CH3
  242916.3626  0.0359 -5.4044 3  991.7789936  595161404584414 1    584315 1      C-13-H3C(O)CH3
  242918.1912  0.0186 -7.1077 3  618.6664396  595161404492128 4    482425 4      C-13-H3C(O)CH3
  242918.2963  0.0185 -7.1077 3  618.6665396  595161404492128 3    482425 3      C-13-H3C(O)CH3
  242919.7565  0.0784 -5.6737 3 1212.0062A80  595161404673632 1    673533 1      C-13-H3C(O)CH3
  242920.0203  0.0186 -7.1077 3  618.6664396  595161404492228 4    482325 4      C-13-H3C(O)CH3
  242920.1339  0.0185 -7.1077 3  618.6664396  595161404492228 3    482325 3      C-13-H3C(O)CH3
  242925.2717  0.0178 -7.0499 3  107.1379156  5951614041916 4 3    1913 7 3      C-13-H3C(O)CH3
  242928.1613  0.0848 -5.6737 3 1212.0089A80  595161404673632 2    673533 2      C-13-H3C(O)CH3
  242936.9979  0.0156 -6.8078 3  618.6819792  595161404492128 1    482425 1      C-13-H3C(O)CH3
  242937.8401  0.0360 -5.4044 3  991.7894936  595161404584414 2    584315 2      C-13-H3C(O)CH3
  242937.9332  0.0779 -5.6736 3 1211.9916A80  595161404673532 0    673433 0      C-13-H3C(O)CH3
  242938.6788  0.0156 -6.8078 3  618.6819792  595161404492228 1    482325 1      C-13-H3C(O)CH3
  242954.9130  0.0178 -6.8063 3  618.6803792  595161404492128 2    482425 2      C-13-H3C(O)CH3
  242955.6226  0.0780 -5.6736 3 1211.9917A80  595161404673632 0    673533 0      C-13-H3C(O)CH3
  242956.6251  0.0178 -6.8063 3  618.6802792  595161404492228 2    482325 2      C-13-H3C(O)CH3
  242958.0970  0.0186 -5.1566 3  768.4051808  5951614045042 8 1    5041 9 1      C-13-H3C(O)CH3
  242973.5181  0.0126 -6.8075 3  618.6957792  595161404492128 0    482425 0      C-13-H3C(O)CH3
  242975.0848  0.0126 -6.8075 3  618.6957792  595161404492228 0    482325 0      C-13-H3C(O)CH3
  242975.8505  0.0348 -5.4042 3  991.7391936  595161404584414 0    584315 0      C-13-H3C(O)CH3
  242975.8611  0.0348 -5.4042 3  991.7391936  595161404584415 0    584316 0      C-13-H3C(O)CH3
  242976.2708  0.0082 -5.2001 3  148.4386376  5951614042316 8 2    2217 6 2      C-13-H3C(O)CH3
  243000.4903  0.0144 -5.8845 3  201.5782212  5951614042621 6 4    2522 4 4      C-13-H3C(O)CH3
  243000.8017  0.0131 -6.6679 3  107.1237312  5951614041916 4 2    1913 7 2      C-13-H3C(O)CH3
  243017.9384  0.0158 -5.3585 3  384.3028600  595161404372413 0    372116 0      C-13-H3C(O)CH3
  243024.2501  0.0173 -5.9213 3  224.2228456  5951614042820 8 1    281711 1      C-13-H3C(O)CH3
  243034.4442  0.0146 -4.6865 3  161.8844488  59516140430 328 2    30 229 2      C-13-H3C(O)CH3
  243034.4442  0.0146 -6.4770 3  161.8844488  59516140430 328 2    30 129 2      C-13-H3C(O)CH3
  243034.4442  0.0146 -6.4770 3  161.8844488  59516140430 228 2    30 229 2      C-13-H3C(O)CH3
  243034.4442  0.0146 -4.6865 3  161.8844488  59516140430 228 2    30 129 2      C-13-H3C(O)CH3
  243035.2136  0.0152 -4.6802 3  161.8849488  59516140430 228 1    30 129 1      C-13-H3C(O)CH3
  243035.2136  0.0152 -4.6802 3  161.8849488  59516140430 328 1    30 229 1      C-13-H3C(O)CH3
  243059.9642  0.0173 -5.3586 3  384.2820600  595161404372413 1    372116 1      C-13-H3C(O)CH3
  243077.9835  0.0103 -5.0766 3  180.6097504 -59516140431 328 0    31 329 0      C-13-H3C(O)CH3
  243077.9835  0.0103 -5.0766 3  180.6097504 -59516140431 428 0    31 229 0      C-13-H3C(O)CH3
  243078.0614  0.0103 -4.6994 3  180.6097504  59516140431 328 0    31 229 0      C-13-H3C(O)CH3
  243078.0614  0.0103 -4.6994 3  180.6097504  59516140431 428 0    31 329 0      C-13-H3C(O)CH3
  243080.5090  0.0180 -7.1310 3  107.1379156  5951614041916 3 3    1913 7 3      C-13-H3C(O)CH3
  243085.3038  0.0134 -5.8833 3  201.6144212  5951614042621 5 3    2522 4 3      C-13-H3C(O)CH3
  243110.1105  0.0142 -5.4856 3  132.0491180  5951614042214 9 4    2115 6 4      C-13-H3C(O)CH3
  243167.6795  0.0070 -6.7404 3   19.4953 76  595161404 9 8 2 4     8 5 4 4      C-13-H3C(O)CH3
  243167.8660  0.0077 -5.1693 3  148.4248376  5951614042316 8 1    2217 6 1      C-13-H3C(O)CH3
  243195.6879  0.0242 -6.2544 3  224.2072228  5951614042820 8 4    281711 4      C-13-H3C(O)CH3
  243225.0618  0.0112 -5.5260 3  266.1220504  595161404311912 2    311615 2      C-13-H3C(O)CH3
  243248.3431  0.0096 -5.5261 3  266.1450504  595161404311912 0    311615 0      C-13-H3C(O)CH3
  243306.3034  0.0190 -6.7813 3  143.7152472  59516140429 228 2    29 029 2      C-13-H3C(O)CH3
  243306.3034  0.0190 -6.7813 3  143.7152472  59516140429 128 2    29 129 2      C-13-H3C(O)CH3
  243306.3034  0.0190 -4.9424 3  143.7152472  59516140429 228 2    29 129 2      C-13-H3C(O)CH3
  243306.3034  0.0190 -4.9424 3  143.7152472  59516140429 128 2    29 029 2      C-13-H3C(O)CH3
  243306.4333  0.0197 -6.6828 3  143.7157472  59516140429 228 1    29 129 1      C-13-H3C(O)CH3
  243306.4333  0.0197 -4.9442 3  143.7157472  59516140429 228 1    29 029 1      C-13-H3C(O)CH3
  243306.4333  0.0197 -4.9405 3  143.7157472  59516140429 128 1    29 129 1      C-13-H3C(O)CH3
  243306.4333  0.0197 -6.9619 3  143.7157472  59516140429 128 1    29 029 1      C-13-H3C(O)CH3
  243310.4812  0.0326 -5.5583 3  876.0446436  595161404544312 4    544213 4      C-13-H3C(O)CH3
  243321.5878  0.0299 -5.5581 3  876.0419436  595161404544312 3    544213 3      C-13-H3C(O)CH3
  243372.9694  0.0244 -5.2570 3  876.0167872  595161404544312 2    544213 2      C-13-H3C(O)CH3
  243399.0686  0.0304 -5.5580 3  876.0527436  595161404544311 3    544212 3      C-13-H3C(O)CH3
  243410.0583  0.0291 -5.5579 3  876.0500436  595161404544311 4    544212 4      C-13-H3C(O)CH3
  243418.2552  0.0241 -7.0881 3  550.2926728  595161404452521 2    442816 2      C-13-H3C(O)CH3
  243421.9222  0.0139 -5.7234 3  161.8307488  59516140430 228 0    30 229 0      C-13-H3C(O)CH3
  243421.9222  0.0139 -4.7187 3  161.8307488  59516140430 328 0    30 229 0      C-13-H3C(O)CH3
  243421.9222  0.0139 -5.7234 3  161.8307488  59516140430 328 0    30 129 0      C-13-H3C(O)CH3
  243421.9222  0.0139 -4.7187 3  161.8307488  59516140430 228 0    30 129 0      C-13-H3C(O)CH3
  243428.9238  0.0198 -5.3611 3  384.2691600  595161404372413 2    372116 2      C-13-H3C(O)CH3
  243432.0247  0.0142 -5.7264 3  224.2234456  5951614042820 8 0    281711 0      C-13-H3C(O)CH3
  243434.0525  0.1420 -6.1738 3 1288.2932540  595161404674721 4    674622 4      C-13-H3C(O)CH3
  243455.2278  0.0213 -5.6614 3  384.2482300  595161404372413 3    372116 3      C-13-H3C(O)CH3
  243460.8535  0.0233 -5.2568 3  876.0248872  595161404544311 2    544212 2      C-13-H3C(O)CH3
  243468.6363  0.0140 -5.8294 3  266.1051252  595161404311912 4    311615 4      C-13-H3C(O)CH3
  243471.9974  0.0205 -5.6630 3  384.2484300  595161404372413 4    372116 4      C-13-H3C(O)CH3
  243481.7915  0.0088 -5.1974 3  148.4901376  5951614042316 7 2    2217 5 2      C-13-H3C(O)CH3
  243486.9176  0.0242 -7.0878 3  550.2940728  595161404452521 1    442816 1      C-13-H3C(O)CH3
  243487.3138  0.0145 -5.8296 3  266.1051252  595161404311912 3    311615 3      C-13-H3C(O)CH3
  243495.7597  0.0241 -5.2568 3  876.0139872  595161404544311 1    544212 1      C-13-H3C(O)CH3
  243498.9220  0.0112 -5.5286 3  266.1280504  595161404311912 1    311615 1      C-13-H3C(O)CH3
  243506.3860  0.0219 -5.2566 3  876.0113872  595161404544312 1    544213 1      C-13-H3C(O)CH3
  243508.9162  0.0177 -5.8765 3  224.2078456  5951614042820 8 2    281711 2      C-13-H3C(O)CH3
  243510.2333  0.0114 -4.9438 3  790.9010888  595161404552530 0    552431 0      C-13-H3C(O)CH3
  243510.2434  0.0114 -4.9438 3  790.9010888  595161404552630 0    552531 0      C-13-H3C(O)CH3
  243524.2771  0.0206 -5.2008 3  626.0428712  5951614044441 4 2    4440 5 2      C-13-H3C(O)CH3
  243524.9849  0.0657 -5.8450 3 1085.9931492  595161404614517 4    614418 4      C-13-H3C(O)CH3
  243545.4848  0.0128 -4.9436 3  790.8996888  595161404552530 1    552431 1      C-13-H3C(O)CH3
  243545.4966  0.0128 -4.9436 3  790.8996888  595161404552630 1    552531 1      C-13-H3C(O)CH3
  243546.3610  0.0168 -4.9436 3  790.8996888  595161404552530 2    552431 2      C-13-H3C(O)CH3
  243546.3726  0.0168 -4.9436 3  790.8996888  595161404552630 2    552531 2      C-13-H3C(O)CH3
  243557.2104  0.0207 -5.2566 3  875.9860872  595161404544311 0    544212 0      C-13-H3C(O)CH3
  243557.2106  0.0207 -5.2566 3  875.9860872  595161404544312 0    544213 0      C-13-H3C(O)CH3
  243557.3746  0.0124 -5.4231 3  148.4996188  5951614042316 7 4    2217 5 4      C-13-H3C(O)CH3
  243581.6774  0.0172 -5.2444 3  790.8982444  595161404552530 3    552431 3      C-13-H3C(O)CH3
  243581.6909  0.0172 -5.2444 3  790.8982444  595161404552630 3    552531 3      C-13-H3C(O)CH3
  243581.7893  0.0174 -5.2444 3  790.8982444  595161404552530 4    552431 4      C-13-H3C(O)CH3
  243581.8026  0.0174 -5.2444 3  790.8982444  595161404552630 4    552531 4      C-13-H3C(O)CH3
  243593.3938  0.0153 -6.2922 3  162.9316196  5951614042417 8 4    241411 4      C-13-H3C(O)CH3
  243616.0035  0.0034 -5.2122 3   28.1009 92  59516140411 7 5 4    10 4 6 4      C-13-H3C(O)CH3
  243625.2861  0.0274 -5.5013 3  626.0228356  5951614044441 4 4    4440 5 4      C-13-H3C(O)CH3
  243628.4785  0.1601 -5.8721 3 1288.2654A80  595161404674721 1    674622 1      C-13-H3C(O)CH3
  243639.0381  0.0046 -4.5512 3  524.8138744  595161404461829 0    461730 0      C-13-H3C(O)CH3
  243639.0381  0.0046 -4.5512 3  524.8138744  595161404461729 0    461630 0      C-13-H3C(O)CH3
  243650.5720  0.0181 -5.2007 3  626.0658712  5951614044441 4 0    4440 4 0      C-13-H3C(O)CH3
  243650.5720  0.0181 -5.2007 3  626.0658712  5951614044441 3 0    4440 5 0      C-13-H3C(O)CH3
  243657.1746  0.0227 -7.0841 3  550.3053728  595161404452521 0    442816 0      C-13-H3C(O)CH3
  243660.7305  0.0101 -5.4242 3  148.3873188  5951614042316 8 4    2217 6 4      C-13-H3C(O)CH3
  243676.8815  0.0056 -4.5504 3  524.7871744  595161404461829 2    461730 2      C-13-H3C(O)CH3
  243676.8815  0.0056 -4.5502 3  524.7871744  595161404461729 2    461630 2      C-13-H3C(O)CH3
  243679.7178  0.0053 -4.5502 3  524.7882744  595161404461829 1    461730 1      C-13-H3C(O)CH3
  243679.7178  0.0053 -4.5502 3  524.7882744  595161404461729 1    461630 1      C-13-H3C(O)CH3
  243683.6025  0.0089 -5.1659 3  148.4855376  5951614042316 7 1    2217 5 1      C-13-H3C(O)CH3
  243686.1952  0.0614 -5.8447 3 1086.0108492  595161404614517 3    614418 3      C-13-H3C(O)CH3
  243690.5737  0.0027 -3.8866 3   98.3037196  59516140424 223 3    23 122 3      C-13-H3C(O)CH3
  243690.5737  0.0027 -3.8866 3   98.3037196  59516140424 123 3    23 222 3      C-13-H3C(O)CH3
  243690.5828  0.0026 -5.0445 3   98.3037196 -59516140424 223 4    23 222 4      C-13-H3C(O)CH3
  243690.5828  0.0027 -5.8074 3   98.3037196 -59516140424 223 3    23 222 3      C-13-H3C(O)CH3
  243690.5828  0.0026 -3.9123 3   98.3037196 -59516140424 123 4    23 222 4      C-13-H3C(O)CH3
  243690.5828  0.0027 -5.8074 3   98.3037196 -59516140424 123 3    23 122 3      C-13-H3C(O)CH3
  243690.5987  0.0026 -5.0445 3   98.3037196  59516140424 123 4    23 122 4      C-13-H3C(O)CH3
  243690.5987  0.0026 -3.9123 3   98.3037196  59516140424 223 4    23 122 4      C-13-H3C(O)CH3
  243692.1534  0.1291 -6.1735 3 1288.3131540  595161404674721 3    674622 3      C-13-H3C(O)CH3
  243697.0037  0.0031 -5.2113 3   28.1008 92  59516140411 7 5 3    10 4 6 3      C-13-H3C(O)CH3
  243711.4726  0.0028 -3.5808 3   98.2450392  59516140424 223 1    23 222 1      C-13-H3C(O)CH3
  243711.4726  0.0028 -6.4332 3   98.2450392  59516140424 123 1    23 222 1      C-13-H3C(O)CH3
  243711.5396  0.0028 -3.5808 3   98.2450392 -59516140424 123 1    23 122 1      C-13-H3C(O)CH3
  243711.5396  0.0027 -4.0467 3   98.2446392 -59516140424 223 2    23 122 2      C-13-H3C(O)CH3
  243711.5396  0.0028 -6.4332 3   98.2450392 -59516140424 223 1    23 122 1      C-13-H3C(O)CH3
  243711.5396  0.0027 -3.7618 3   98.2446392 -59516140424 123 2    23 122 2      C-13-H3C(O)CH3
  243711.5965  0.0027 -4.0467 3   98.2446392  59516140424 123 2    23 222 2      C-13-H3C(O)CH3
  243711.5965  0.0027 -3.7618 3   98.2446392  59516140424 223 2    23 222 2      C-13-H3C(O)CH3
  243714.5216  0.1475 -5.8719 3 1288.2638A80  595161404674721 2    674622 2      C-13-H3C(O)CH3
  243715.1687  0.1245 -6.1734 3 1288.3164540  595161404674720 3    674621 3      C-13-H3C(O)CH3
  243717.6280  0.0058 -4.8510 3  524.7615372  595161404461729 3    461630 3      C-13-H3C(O)CH3
  243717.6280  0.0058 -4.8510 3  524.7615372  595161404461829 3    461730 3      C-13-H3C(O)CH3
  243717.6355  0.0058 -4.8510 3  524.7614372  595161404461729 4    461630 4      C-13-H3C(O)CH3
  243717.6355  0.0058 -4.8510 3  524.7614372  595161404461829 4    461730 4      C-13-H3C(O)CH3
  243717.6605  0.0058 -6.1472 3  145.7423188  5951614042315 9 4    231212 4      C-13-H3C(O)CH3
  243732.4362  0.0025 -5.9628 3   98.1861392  59516140424 123 0    23 222 0      C-13-H3C(O)CH3
  243732.4362  0.0025 -3.5819 3   98.1861392  59516140424 223 0    23 222 0      C-13-H3C(O)CH3
  243732.4744  0.0025 -3.5819 3   98.1861392 -59516140424 123 0    23 122 0      C-13-H3C(O)CH3
  243732.4744  0.0025 -5.9628 3   98.1861392 -59516140424 223 0    23 122 0      C-13-H3C(O)CH3
  243740.0809  0.0592 -5.5434 3 1085.9635984  595161404614517 2    614418 2      C-13-H3C(O)CH3
  243744.7926  0.0184 -5.1407 3  143.6462472  59516140429 228 0    29 129 0      C-13-H3C(O)CH3
  243744.7926  0.0184 -5.3562 3  143.6462472  59516140429 128 0    29 129 0      C-13-H3C(O)CH3
  243744.7926  0.0184 -5.3562 3  143.6462472  59516140429 228 0    29 029 0      C-13-H3C(O)CH3
  243744.7926  0.0184 -5.1407 3  143.6462472  59516140429 128 0    29 029 0      C-13-H3C(O)CH3
  243751.8214  0.0213 -5.2003 3  626.0458712  5951614044441 4 1    4440 5 1      C-13-H3C(O)CH3
  243751.8385  0.0088 -5.0692 3  132.0248360  5951614042214 9 2    2115 6 2      C-13-H3C(O)CH3
  243753.4902  0.0092 -5.1005 3  132.0266360  5951614042214 9 1    2115 6 1      C-13-H3C(O)CH3
  243755.8909  0.0544 -5.8446 3 1086.0109492  595161404614516 3    614417 3      C-13-H3C(O)CH3
  243756.9087  0.0255 -5.5013 3  626.0750356  5951614044441 3 3    4440 4 3      C-13-H3C(O)CH3
  243757.7002  0.0563 -5.5434 3 1085.9575984  595161404614517 1    614418 1      C-13-H3C(O)CH3
  243767.2490  0.0203 -5.2004 3  626.0770712  5951614044441 3 2    4440 4 2      C-13-H3C(O)CH3
  243797.7576  0.0114 -6.1658 3  151.3441376  5951614042317 7 1    231410 1      C-13-H3C(O)CH3
  243801.9528  0.0056 -6.2252 3  132.0260180  5951614042214 9 4    221112 4      C-13-H3C(O)CH3
  243839.1693  0.0948 -6.0011 3 1184.8167516  595161404644619 4    644520 4      C-13-H3C(O)CH3
  243844.0348  0.0050 -6.1433 3  145.7423188  5951614042315 9 3    231212 3      C-13-H3C(O)CH3
  243867.7075  0.0258 -5.5010 3  626.0570356  5951614044441 4 3    4440 5 3      C-13-H3C(O)CH3
  243873.3583  0.0048 -6.2242 3  132.0260180  5951614042214 9 3    221112 3      C-13-H3C(O)CH3
  243884.3875  0.0199 -5.2002 3  626.0981712  5951614044441 3 1    4440 4 1      C-13-H3C(O)CH3
  243894.4470  0.0079 -5.0866 3  148.4754376  5951614042316 7 0    2217 6 0      C-13-H3C(O)CH3
  243901.5170  0.0119 -5.4034 3   45.0043108  5951614041310 3 4    12 9 4 4      C-13-H3C(O)CH3
  243905.0682  0.0034 -4.9099 3   28.0430184  59516140411 7 5 1    10 4 6 1      C-13-H3C(O)CH3
  243906.2618  0.1649 -5.8713 3 1288.2361A80  595161404674720 0    674621 0      C-13-H3C(O)CH3
  243909.5139  0.1607 -5.8715 3 1288.2886A80  595161404674720 1    674621 1      C-13-H3C(O)CH3
  243911.7456  0.1648 -5.8713 3 1288.2359A80  595161404674721 0    674622 0      C-13-H3C(O)CH3
  243916.3601  0.0570 -5.8441 3 1086.0286492  595161404614516 4    614417 4      C-13-H3C(O)CH3
  243918.5070  0.0633 -5.5429 3 1085.9751984  595161404614516 1    614417 1      C-13-H3C(O)CH3
  243926.0731  0.0037 -4.9102 3   28.0418184  59516140411 7 5 2    10 4 6 2      C-13-H3C(O)CH3
  243946.0985  0.0055 -5.8415 3  145.7396376  5951614042315 9 1    231212 1      C-13-H3C(O)CH3
  243970.4181  0.0573 -5.5428 3 1085.9813984  595161404614516 2    614417 2      C-13-H3C(O)CH3
  243972.2699  0.0616 -5.5427 3 1085.9279984  595161404614516 0    614417 0      C-13-H3C(O)CH3
  243972.3355  0.1452 -5.8713 3 1288.2838A80  595161404674720 2    674621 2      C-13-H3C(O)CH3
  243972.3701  0.0616 -5.5427 3 1085.9279984  595161404614517 0    614418 0      C-13-H3C(O)CH3
  243972.5418  0.1331 -6.1725 3 1288.3364540  595161404674720 4    674621 4      C-13-H3C(O)CH3
  243973.6162  0.0037 -5.7866 3   18.1870 84  59516140410 3 7 3     9 2 8 3      C-13-H3C(O)CH3
  243974.1031  0.0047 -5.7866 3   18.1870 84  59516140410 3 7 4     9 2 8 4      C-13-H3C(O)CH3
  244001.3846  0.0274 -5.5009 3  626.1091356  5951614044441 3 4    4440 4 4      C-13-H3C(O)CH3
  244002.4893  0.0037 -5.7866 3   18.1870 84  59516140410 4 7 3     9 1 8 3      C-13-H3C(O)CH3
  244002.5724  0.0047 -5.7866 3   18.1870 84  59516140410 4 7 4     9 1 8 4      C-13-H3C(O)CH3
  244003.6610  0.0050 -5.9212 3  132.0183360  5951614042214 9 1    221112 1      C-13-H3C(O)CH3
  244036.2817  0.0049 -5.9203 3  132.0153360  5951614042214 9 2    221112 2      C-13-H3C(O)CH3
  244040.8380  0.0053 -5.8405 3  145.7361376  5951614042315 9 2    231212 2      C-13-H3C(O)CH3
  244060.3708  0.0970 -5.6994 3 1184.7837A32  595161404644619 1    644520 1      C-13-H3C(O)CH3
  244061.3038  0.0868 -6.0006 3 1184.8387516  595161404644618 3    644519 3      C-13-H3C(O)CH3
  244080.1260  0.0045 -4.9436 3  132.0117360  5951614042214 9 0    2115 6 0      C-13-H3C(O)CH3
  244093.7676  0.0793 -6.0005 3 1184.8362516  595161404644619 3    644520 3      C-13-H3C(O)CH3
  244095.5001  0.0945 -5.6994 3 1184.7871A32  595161404644619 2    644520 2      C-13-H3C(O)CH3
  244117.8557  0.0142 -6.3585 3  151.3444188  5951614042317 7 3    231410 3      C-13-H3C(O)CH3
  244174.6109  0.0038 -4.9093 3   27.9841184  59516140411 7 5 0    10 4 6 0      C-13-H3C(O)CH3
  244200.9725  0.0051 -5.9177 3  132.0076360  5951614042214 9 0    221112 0      C-13-H3C(O)CH3
  244204.3412  0.0055 -5.8376 3  145.7334376  5951614042315 9 0    231212 0      C-13-H3C(O)CH3
  244223.2421  0.0048 -5.4840 3   18.1175168  59516140410 3 7 2     9 2 8 2      C-13-H3C(O)CH3
  244230.8318  0.0047 -5.4843 3   18.1180168  59516140410 3 7 1     9 2 8 1      C-13-H3C(O)CH3
  244234.7045  1.0462 -7.1571 3 1973.6526D52  595161404845431 2    845332 2      C-13-H3C(O)CH3
  244243.7384  0.0290 -6.5023 3  256.3496244  595161404302110 4    301812 4      C-13-H3C(O)CH3
  244253.0736  0.0048 -5.4840 3   18.1175168  59516140410 4 7 2     9 1 8 2      C-13-H3C(O)CH3
  244260.0504  0.0047 -5.4842 3   18.1180168  59516140410 4 7 1     9 1 8 1      C-13-H3C(O)CH3
  244282.2313  0.1051 -5.6989 3 1184.8058A32  595161404644618 1    644519 1      C-13-H3C(O)CH3
  244296.7884  0.0113 -6.1624 3  151.3405376  5951614042317 7 2    231410 2      C-13-H3C(O)CH3
  244303.3631  0.0191 -6.3028 3  256.3715488  595161404302110 1    301812 1      C-13-H3C(O)CH3
  244305.4099  0.0101 -6.5603 3  398.9451316  595161404391821 3    382118 3      C-13-H3C(O)CH3
  244305.4782  0.0102 -6.5603 3  398.9450316  595161404391821 4    382118 4      C-13-H3C(O)CH3
  244309.8304  0.0099 -6.2600 3  398.9735632  595161404391821 1    382118 1      C-13-H3C(O)CH3
  244315.1319  0.0858 -6.0000 3 1184.8583516  595161404644618 4    644519 4      C-13-H3C(O)CH3
  244316.0971  0.1050 -5.6987 3 1184.7542A32  595161404644618 0    644519 0      C-13-H3C(O)CH3
  244316.8961  0.1049 -5.6987 3 1184.7542A32  595161404644619 0    644520 0      C-13-H3C(O)CH3
  244319.5592  0.0131 -6.8515 3   46.8570216  5951614041311 3 1    1210 2 1      C-13-H3C(O)CH3
  244331.0097  0.0104 -5.9409 3  162.9347392  5951614042417 8 1    241411 1      C-13-H3C(O)CH3
  244349.7163  0.0923 -5.6988 3 1184.8066A32  595161404644618 2    644519 2      C-13-H3C(O)CH3
  244354.2165  0.0174 -5.1517 3  744.7510792  5951614044942 8 2    4941 9 2      C-13-H3C(O)CH3
  244361.3966  0.0235 -5.4526 3  744.7537396  5951614044942 8 4    4941 9 4      C-13-H3C(O)CH3
  244362.0927  0.0064 -5.2607 3  132.0097180  5951614042214 9 3    2115 6 3      C-13-H3C(O)CH3
  244363.1789  0.0127 -5.6377 3  148.4481188  5951614042316 7 3    2217 5 3      C-13-H3C(O)CH3
  244371.7585  0.0101 -6.2574 3  398.9684632  595161404391821 2    382118 2      C-13-H3C(O)CH3
  244374.8579  0.4189 -6.9341 3 1887.0990D36  595161404834836 2    834737 2      C-13-H3C(O)CH3
  244375.7317  0.0086 -6.2582 3  398.9968632  595161404391821 0    382118 0      C-13-H3C(O)CH3
  244377.5873  0.0023 -6.2649 3   50.3998116  59516140414 9 5 4    13 8 5 4      C-13-H3C(O)CH3
  244380.3577  0.4425 -6.9341 3 1887.1007D36  595161404834836 0    834737 0      C-13-H3C(O)CH3
  244381.0898  0.4396 -6.9341 3 1887.0950D36  595161404834836 1    834737 1      C-13-H3C(O)CH3
  244384.8681  0.8403 -7.1427 3 1973.6806D52  595161404845431 1    845332 1      C-13-H3C(O)CH3
  244395.4983  0.6687 -7.1187 3 1973.6644D52  595161404845431 0    845332 0      C-13-H3C(O)CH3
  244407.8920  0.3815 -6.8885 3 1705.1469636  595161404794435 4    794336 4      C-13-H3C(O)CH3
  244407.9129  0.3820 -6.8885 3 1705.1469636  595161404794435 3    794336 3      C-13-H3C(O)CH3
  244424.8189  0.3275 -6.5874 3 1705.1423C72  595161404794435 1    794336 1      C-13-H3C(O)CH3
  244429.1573  0.0047 -4.9960 3   34.7068100  59516140412 7 5 3    11 6 6 3      C-13-H3C(O)CH3
  244431.7243  0.0176 -5.1516 3  744.7589792  5951614044942 7 2    4941 8 2      C-13-H3C(O)CH3
  244436.4869  0.0053 -4.6926 3   34.6528200  59516140412 7 5 2    11 6 6 2      C-13-H3C(O)CH3
  244437.9862  0.0231 -5.4525 3  744.7616396  5951614044942 8 3    4941 9 3      C-13-H3C(O)CH3
  244440.7324  0.0214 -5.4526 3  744.7793396  5951614044942 7 3    4941 8 3      C-13-H3C(O)CH3
  244442.1846  0.0232 -6.8017 3  256.3498244  595161404302110 3    301812 3      C-13-H3C(O)CH3
  244444.9175  0.0327 -5.2783 3  991.2893984  595161404613031 1    612932 1      C-13-H3C(O)CH3
  244445.5272  0.0327 -5.2783 3  991.2893984  595161404613131 1    613032 1      C-13-H3C(O)CH3
  244446.5746  0.0314 -5.2784 3  991.2779984  595161404613031 0    612932 0      C-13-H3C(O)CH3
  244447.1109  0.0314 -5.2784 3  991.2779984  595161404613131 0    613032 0      C-13-H3C(O)CH3
  244447.3380  0.0394 -5.5793 3  991.3020492  595161404613031 3    612932 3      C-13-H3C(O)CH3
  244447.3947  0.0396 -5.5793 3  991.3020492  595161404613031 4    612932 4      C-13-H3C(O)CH3
  244448.0001  0.0394 -5.5793 3  991.3020492  595161404613131 3    613032 3      C-13-H3C(O)CH3
  244448.0540  0.0395 -5.5793 3  991.3020492  595161404613131 4    613032 4      C-13-H3C(O)CH3
  244448.9773  0.0385 -5.2783 3  991.2905984  595161404613031 2    612932 2      C-13-H3C(O)CH3
  244449.5600  0.0385 -5.2783 3  991.2905984  595161404613131 2    613032 2      C-13-H3C(O)CH3
  244473.3143  0.0119 -6.4869 3  107.1162312  5951614041916 4 0    1913 7 0      C-13-H3C(O)CH3
  244475.2059  0.0042 -7.1195 3  497.2156728  595161404451729 0    451530 0      C-13-H3C(O)CH3
  244475.2059  0.0042 -7.0676 3  497.2156728  595161404451629 0    451630 0      C-13-H3C(O)CH3
  244475.2089  0.0042 -4.5159 3  497.2156728 -595161404451729 0    451630 0      C-13-H3C(O)CH3
  244475.2089  0.0042 -4.5158 3  497.2156728 -595161404451629 0    451530 0      C-13-H3C(O)CH3
  244479.8010  0.0050 -5.4827 3   18.0488168  59516140410 3 7 0     9 2 8 0      C-13-H3C(O)CH3
  244484.1067  0.0070 -4.9969 3   34.7065100  59516140412 7 5 4    11 6 6 4      C-13-H3C(O)CH3
  244484.9363  0.3895 -6.5872 3 1705.1472C72  595161404794435 2    794336 2      C-13-H3C(O)CH3
  244487.4995  0.0084 -6.4797 3   19.4350152  595161404 9 8 2 1     8 5 4 1      C-13-H3C(O)CH3
  244493.9808  0.0160 -5.1515 3  744.7387792  5951614044942 7 0    4941 8 0      C-13-H3C(O)CH3
  244493.9808  0.0160 -5.1515 3  744.7387792  5951614044942 8 0    4941 9 0      C-13-H3C(O)CH3
  244501.2246  0.0187 -5.1514 3  744.7415792  5951614044942 8 1    4941 9 1      C-13-H3C(O)CH3
  244501.8808  0.3296 -6.5871 3 1705.1427C72  595161404794435 0    794336 0      C-13-H3C(O)CH3
  244503.1450  0.0024 -6.4879 3   50.3532232  59516140414 9 5 1    13 8 5 1      C-13-H3C(O)CH3
  244503.5103  0.5055 -6.8695 3 1672.2868620  595161404775127 4    775028 4      C-13-H3C(O)CH3
  244505.0179  0.0052 -4.5153 3  497.1873728 -595161404451629 2    451530 2      C-13-H3C(O)CH3
  244505.0179  0.0052 -4.5149 3  497.1873728 -595161404451729 2    451630 2      C-13-H3C(O)CH3
  244506.9682  1.0067 -6.9567 3 1672.3144620  595161404775126 3    775027 3      C-13-H3C(O)CH3
  244508.0159  0.0050 -4.5162 3  497.1884728 -595161404451629 1    451530 1      C-13-H3C(O)CH3
  244508.0159  0.0050 -4.5162 3  497.1884728 -595161404451729 1    451630 1      C-13-H3C(O)CH3
  244508.0941  0.0050 -6.9312 3  497.1884728  595161404451729 1    451530 1      C-13-H3C(O)CH3
  244508.0941  0.0050 -6.9309 3  497.1884728  595161404451629 1    451630 1      C-13-H3C(O)CH3
  244509.4426  0.0137 -6.7935 3  151.3444188  5951614042317 6 3    231410 3      C-13-H3C(O)CH3
  244510.1799  0.0050 -5.4826 3   18.0488168  59516140410 4 7 0     9 1 8 0      C-13-H3C(O)CH3
  244511.8066  0.0028 -6.6217 3   50.3481232  59516140414 9 5 2    13 8 5 2      C-13-H3C(O)CH3
  244518.2620  0.0224 -5.4525 3  744.7870396  5951614044942 7 4    4941 8 4      C-13-H3C(O)CH3
  244523.5587  0.0054 -4.6906 3   34.6002200  59516140412 7 5 0    11 6 6 0      C-13-H3C(O)CH3
  244524.1893  0.0094 -6.1354 3  162.9318196  5951614042417 8 3    241411 3      C-13-H3C(O)CH3
  244537.9604  0.0055 -4.8171 3  497.1600364 -595161404451629 4    451530 4      C-13-H3C(O)CH3
  244537.9604  0.0055 -4.8164 3  497.1601364 -595161404451729 3    451630 3      C-13-H3C(O)CH3
  244537.9604  0.0055 -4.8172 3  497.1600364 -595161404451729 4    451630 4      C-13-H3C(O)CH3
  244537.9604  0.0055 -4.8155 3  497.1601364 -595161404451629 3    451530 3      C-13-H3C(O)CH3
  244542.3847  0.0053 -4.6935 3   34.6539200  59516140412 7 5 1    11 6 6 1      C-13-H3C(O)CH3
  244569.7201  0.0136 -6.7763 3   46.8580216 -5951614041311 3 2    1210 2 2      C-13-H3C(O)CH3
  244581.4025  0.0172 -5.1514 3  744.7670792  5951614044942 7 1    4941 8 1      C-13-H3C(O)CH3
  244602.3259  0.0244 -5.2764 3  605.3993696  5951614044341 3 2    4340 4 2      C-13-H3C(O)CH3
  244613.6058  0.1382 -6.2547 3 1367.5626572  595161404713833 4    713734 4      C-13-H3C(O)CH3
  244613.6365  0.1382 -6.2547 3 1367.5626572  595161404713833 3    713734 3      C-13-H3C(O)CH3
  244614.4336  0.4491 -6.5548 3 1672.2759C40  595161404775126 0    775027 0      C-13-H3C(O)CH3
  244639.9891  0.0175 -5.7390 3  148.4388188  5951614042316 7 3    2217 6 3      C-13-H3C(O)CH3
  244641.9654  0.5717 -6.6133 3 1672.2874C40  595161404775127 1    775028 1      C-13-H3C(O)CH3
  244650.0671  0.1274 -5.9535 3 1367.5471B44  595161404713833 1    713734 1      C-13-H3C(O)CH3
  244665.7854  0.1387 -5.9535 3 1367.5507B44  595161404713833 2    713734 2      C-13-H3C(O)CH3
  244694.9566  0.0099 -6.4867 3   19.4346152  595161404 9 8 2 2     8 5 4 2      C-13-H3C(O)CH3
  244695.6936  0.1336 -6.2544 3 1367.5630572  595161404713933 4    713834 4      C-13-H3C(O)CH3
  244695.7814  0.1334 -6.2544 3 1367.5630572  595161404713933 3    713834 3      C-13-H3C(O)CH3
  244702.0839  0.1276 -5.9533 3 1367.5353B44  595161404713833 0    713734 0      C-13-H3C(O)CH3
  244711.3634  0.0209 -5.2764 3  605.4308696  5951614044341 3 0    4340 3 0      C-13-H3C(O)CH3
  244711.3634  0.0209 -5.2764 3  605.4308696  5951614044341 2 0    4340 4 0      C-13-H3C(O)CH3
  244730.2169  0.1275 -5.9532 3 1367.5475B44  595161404713933 1    713834 1      C-13-H3C(O)CH3
  244735.0158  0.0319 -5.5769 3  605.3758348  5951614044341 3 4    4340 4 4      C-13-H3C(O)CH3
  244741.8451  0.1340 -5.9532 3 1367.5511B44  595161404713933 2    713834 2      C-13-H3C(O)CH3
  244776.2651  0.1278 -5.9531 3 1367.5357B44  595161404713933 0    713834 0      C-13-H3C(O)CH3
  244779.1322  0.4892 -6.5841 3 1672.2901C40  595161404775126 2    775027 2      C-13-H3C(O)CH3
  244784.0775  0.4717 -6.5840 3 1672.2639C40  595161404775127 2    775028 2      C-13-H3C(O)CH3
  244786.5090  0.0033 -4.1005 3   99.7514204  59516140425 125 3    24 024 3      C-13-H3C(O)CH3
  244786.5090  0.0033 -4.1005 3   99.7514204  59516140425 025 3    24 124 3      C-13-H3C(O)CH3
  244786.5096  0.0033 -3.8582 3   99.7514204  59516140425 025 4    24 124 4      C-13-H3C(O)CH3
  244786.5096  0.0033 -5.2060 3   99.7514204  59516140425 125 4    24 124 4      C-13-H3C(O)CH3
  244786.5316  0.0033 -5.2060 3   99.7514204 -59516140425 025 4    24 024 4      C-13-H3C(O)CH3
  244786.5316  0.0033 -4.1838 3   99.7514204 -59516140425 025 3    24 024 3      C-13-H3C(O)CH3
  244786.5316  0.0033 -4.1838 3   99.7514204 -59516140425 125 3    24 124 3      C-13-H3C(O)CH3
  244786.5316  0.0033 -3.8582 3   99.7514204 -59516140425 125 4    24 024 4      C-13-H3C(O)CH3
  244786.6886  0.0099 -5.9120 3  162.9302392  5951614042417 8 2    241411 2      C-13-H3C(O)CH3
  244792.4443  0.0037 -3.7975 3   99.6812408  59516140425 025 1    24 024 1      C-13-H3C(O)CH3
  244792.4443  0.0037 -3.8848 3   99.6812408  59516140425 125 1    24 024 1      C-13-H3C(O)CH3
  244792.5075  0.0036 -4.0668 3   99.6808408 -59516140425 125 2    24 124 2      C-13-H3C(O)CH3
  244792.5075  0.0037 -3.8848 3   99.6812408 -59516140425 025 1    24 124 1      C-13-H3C(O)CH3
  244792.5075  0.0037 -3.7975 3   99.6812408 -59516140425 125 1    24 124 1      C-13-H3C(O)CH3
  244792.5075  0.0036 -4.0668 3   99.6808408 -59516140425 025 2    24 024 2      C-13-H3C(O)CH3
  244792.5597  0.0036 -3.6903 3   99.6808408  59516140425 025 2    24 124 2      C-13-H3C(O)CH3
  244792.5597  0.0036 -3.6903 3   99.6808408  59516140425 125 2    24 024 2      C-13-H3C(O)CH3
  244798.4753  0.0033 -3.5413 3   99.6108408  59516140425 125 0    24 024 0      C-13-H3C(O)CH3
  244798.4753  0.0033 -3.5413 3   99.6108408  59516140425 025 0    24 124 0      C-13-H3C(O)CH3
  244798.5103  0.0033 -5.6336 3   99.6108408 -59516140425 025 0    24 024 0      C-13-H3C(O)CH3
  244798.5103  0.0033 -5.6336 3   99.6108408 -59516140425 125 0    24 124 0      C-13-H3C(O)CH3
  244841.4473  0.4814 -6.6130 3 1672.3079C40  595161404775126 1    775027 1      C-13-H3C(O)CH3
  244844.3372  0.0251 -5.2759 3  605.4072696  5951614044341 3 1    4340 4 1      C-13-H3C(O)CH3
  244844.9665  0.0169 -6.9961 3  107.1208312  5951614041916 3 1    1913 7 1      C-13-H3C(O)CH3
  244868.5017  0.0311 -5.5768 3  605.4343348  5951614044341 2 3    4340 3 3      C-13-H3C(O)CH3
  244883.3557  0.0250 -5.2759 3  605.4415696  5951614044341 2 2    4340 3 2      C-13-H3C(O)CH3
  244888.1109  0.0096 -4.8881 3  758.1121872  595161404542430 0    542331 0      C-13-H3C(O)CH3
  244888.1140  0.0096 -4.8881 3  758.1121872  595161404542530 0    542431 0      C-13-H3C(O)CH3
  244922.6616  0.2711 -6.4952 3 1473.7825580  595161404724924 4    724825 4      C-13-H3C(O)CH3
  244929.3057  0.0109 -4.8878 3  758.1077872  595161404542430 1    542331 1      C-13-H3C(O)CH3
  244929.3094  0.0109 -4.8878 3  758.1077872  595161404542530 1    542431 1      C-13-H3C(O)CH3
  244929.7561  0.0145 -4.8878 3  758.1075872  595161404542430 2    542331 2      C-13-H3C(O)CH3
  244929.7598  0.0145 -4.8878 3  758.1075872  595161404542530 2    542431 2      C-13-H3C(O)CH3
  244930.1500  0.8681 -6.9552 3 1672.2979620  595161404775127 3    775028 3      C-13-H3C(O)CH3
  244933.2293  0.5414 -6.8685 3 1672.3255620  595161404775126 4    775027 4      C-13-H3C(O)CH3
  244971.0224  0.0147 -5.1886 3  758.1031436  595161404542430 3    542331 3      C-13-H3C(O)CH3
  244971.0268  0.0147 -5.1886 3  758.1031436  595161404542530 3    542431 3      C-13-H3C(O)CH3
  244971.1381  0.0148 -5.1886 3  758.1031436  595161404542430 4    542331 4      C-13-H3C(O)CH3
  244971.1424  0.0148 -5.1886 3  758.1031436  595161404542530 4    542431 4      C-13-H3C(O)CH3
  244978.6596  0.0242 -5.2758 3  605.4659696  5951614044341 2 1    4340 3 1      C-13-H3C(O)CH3
  244981.9292  0.0089 -7.0654 3   19.4969 76  595161404 9 8 2 3     8 5 4 3      C-13-H3C(O)CH3
  244996.6837  0.4403 -6.5534 3 1672.2610C40  595161404775127 0    775028 0      C-13-H3C(O)CH3
  245003.8171  0.0159 -6.9559 3  107.1237312  5951614041916 3 2    1913 7 2      C-13-H3C(O)CH3
  245015.7889  0.0315 -5.5764 3  605.4179348  5951614044341 3 3    4340 4 3      C-13-H3C(O)CH3
  245025.0957  0.0154 -5.7325 3  148.4386376  5951614042316 7 2    2217 6 2      C-13-H3C(O)CH3
  245028.6547  0.0109 -5.3378 3  181.5742408  5951614042519 7 0    2420 4 0      C-13-H3C(O)CH3
  245056.2197  0.0109 -5.3377 3  181.5742408  5951614042519 6 0    2420 5 0      C-13-H3C(O)CH3
  245066.7036  0.3091 -6.1942 3 1473.7687B60  595161404724924 1    724825 1      C-13-H3C(O)CH3
  245083.5004  0.0101 -6.2570 3  398.9478632  595161404391921 1    382018 1      C-13-H3C(O)CH3
  245094.7060  0.8445 -7.0090 3 1473.8053580  595161404724924 3    724824 3      C-13-H3C(O)CH3
  245098.5445  0.0428 -5.6694 3  964.0949460  595161404574414 4    574315 4      C-13-H3C(O)CH3
  245102.0923  0.0107 -6.5571 3  398.9185316  595161404391921 4    382018 4      C-13-H3C(O)CH3
  245103.2869  0.0109 -6.5571 3  398.9185316  595161404391921 3    382018 3      C-13-H3C(O)CH3
  245118.4449  0.0228 -6.0020 3  256.3498244  5951614043021 9 3    301812 3      C-13-H3C(O)CH3
  245145.6494  0.0087 -6.2552 3  398.9712632  595161404391921 0    382018 0      C-13-H3C(O)CH3
  245151.5336  0.0341 -5.5764 3  605.4764348  5951614044341 2 4    4340 3 4      C-13-H3C(O)CH3
  245156.3840  0.4688 -6.6530 3 1473.8032580  595161404724924 3    724825 3      C-13-H3C(O)CH3
  245163.6660  0.0392 -5.6692 3  964.1034460  595161404574414 3    574315 3      C-13-H3C(O)CH3
  245164.6319  0.0175 -5.7411 3  256.3715488  5951614043021 9 1    301812 1      C-13-H3C(O)CH3
  245165.5885  0.0105 -6.2543 3  398.9420632  595161404391921 2    382018 2      C-13-H3C(O)CH3
  245169.7739  0.0179 -6.9040 3  256.3552488  595161404302110 2    301812 2      C-13-H3C(O)CH3
  245171.1009  0.0095 -5.3364 3  181.5698408  5951614042519 6 2    2420 4 2      C-13-H3C(O)CH3
  245188.6871  0.0082 -6.6333 3   19.4969 76  595161404 9 8 1 3     8 5 4 3      C-13-H3C(O)CH3
  245196.5263  0.0078 -5.9209 3  151.3405376  5951614042317 7 0    231410 0      C-13-H3C(O)CH3
  245214.1313  0.2722 -6.1939 3 1473.7567B60  595161404724924 2    724825 2      C-13-H3C(O)CH3
  245230.0723  0.0331 -5.3680 3  964.0672920  595161404574414 2    574315 2      C-13-H3C(O)CH3
  245246.8147  0.4956 -6.6528 3 1473.8053580  595161404724923 3    724824 3      C-13-H3C(O)CH3
  245250.6391  0.0385 -5.6691 3  964.1098460  595161404574413 3    574314 3      C-13-H3C(O)CH3
  245257.6340  0.0040 -4.5871 3  470.1968712  595161404441629 0    441530 0      C-13-H3C(O)CH3
  245257.6340  0.0040 -5.1494 3  470.1968712  595161404441629 0    441430 0      C-13-H3C(O)CH3
  245257.6340  0.0040 -5.1463 3  470.1968712  595161404441529 0    441530 0      C-13-H3C(O)CH3
  245257.6340  0.0040 -4.5880 3  470.1968712  595161404441529 0    441430 0      C-13-H3C(O)CH3
  245265.1997  0.2246 -6.5589 3 1531.9559604  595161404754134 4    754035 4      C-13-H3C(O)CH3
  245265.2324  0.2248 -6.5589 3 1531.9558604  595161404754134 3    754035 3      C-13-H3C(O)CH3
  245271.2596  0.0099 -6.1045 3  341.5436584  595161404361819 1    351916 1      C-13-H3C(O)CH3
  245276.8434  0.0049 -4.5517 3  470.1675712 -595161404441629 2    441530 2      C-13-H3C(O)CH3
  245276.8434  0.0049 -4.5519 3  470.1675712 -595161404441529 2    441430 2      C-13-H3C(O)CH3
  245276.8792  0.0049 -5.3084 3  470.1675712  595161404441529 2    441530 2      C-13-H3C(O)CH3
  245276.8792  0.0049 -5.3096 3  470.1675712  595161404441629 2    441430 2      C-13-H3C(O)CH3
  245280.1728  0.0048 -6.5749 3  470.1686712  595161404441629 1    441430 1      C-13-H3C(O)CH3
  245280.1728  0.0048 -4.4944 3  470.1686712  595161404441629 1    441530 1      C-13-H3C(O)CH3
  245280.1728  0.0048 -6.0582 3  470.1686712  595161404441529 1    441530 1      C-13-H3C(O)CH3
  245280.1728  0.0048 -4.4858 3  470.1686712  595161404441529 1    441430 1      C-13-H3C(O)CH3
  245291.9501  0.0070 -5.8075 3  162.9332392  5951614042417 8 0    241411 0      C-13-H3C(O)CH3
  245299.1798  0.2023 -6.2577 3 1531.9451C08  595161404754134 1    754035 1      C-13-H3C(O)CH3
  245299.4592  0.0051 -6.1393 3  470.1392356  595161404441629 3    441430 3      C-13-H3C(O)CH3
  245299.4592  0.0051 -6.1036 3  470.1392356  595161404441529 3    441530 3      C-13-H3C(O)CH3
  245299.4667  0.0051 -4.8040 3  470.1392356 -595161404441529 3    441430 3      C-13-H3C(O)CH3
  245299.4667  0.0051 -4.7836 3  470.1392356 -595161404441629 4    441530 4      C-13-H3C(O)CH3
  245299.4667  0.0051 -4.7836 3  470.1392356 -595161404441529 4    441430 4      C-13-H3C(O)CH3
  245299.4667  0.0051 -4.8022 3  470.1392356 -595161404441629 3    441530 3      C-13-H3C(O)CH3
  245305.7059  0.0105 -6.4047 3  341.5142292  595161404361819 4    351916 4      C-13-H3C(O)CH3
  245308.4927  0.8912 -7.0084 3 1473.8032580  595161404724923 3    724825 3      C-13-H3C(O)CH3
  245309.2560  0.0110 -6.4047 3  341.5141292  595161404361819 3    351916 3      C-13-H3C(O)CH3
  245315.3158  0.0365 -5.6688 3  964.1182460  595161404574413 4    574314 4      C-13-H3C(O)CH3
  245318.1274  0.0303 -5.3678 3  964.0618920  595161404574414 1    574315 1      C-13-H3C(O)CH3
  245323.5852  0.0241 -6.0757 3  256.3496244  5951614043021 9 4    301812 4      C-13-H3C(O)CH3
  245328.3661  0.2267 -6.2577 3 1531.9494C08  595161404754134 2    754035 2      C-13-H3C(O)CH3
  245331.0702  0.2915 -6.1928 3 1473.7440B60  595161404724923 0    724824 0      C-13-H3C(O)CH3
  245336.3418  0.0284 -5.5345 3  850.3760428  595161404534311 3    534212 3      C-13-H3C(O)CH3
  245352.5958  0.0300 -5.5346 3  850.3827428  595161404534311 4    534211 4      C-13-H3C(O)CH3
  245362.1780  0.2030 -6.2575 3 1531.9388C08  595161404754134 0    754035 0      C-13-H3C(O)CH3
  245373.5375  0.0082 -6.1021 3  341.5648584  595161404361819 0    351916 0      C-13-H3C(O)CH3
  245379.3600  0.0226 -5.2334 3  850.3554856  595161404534311 2    534212 2      C-13-H3C(O)CH3
  245381.3323  0.0284 -5.5343 3  850.3824428  595161404534310 4    534212 4      C-13-H3C(O)CH3
  245381.4432  0.0312 -5.3677 3  964.0820920  595161404574413 2    574314 2      C-13-H3C(O)CH3
  245382.4788  0.2906 -6.1926 3 1473.7421B60  595161404724924 0    724825 0      C-13-H3C(O)CH3
  245382.7508  0.0292 -5.3676 3  964.0702920  595161404574413 1    574314 1      C-13-H3C(O)CH3
  245384.5090  0.0102 -5.3359 3  181.5571408  5951614042519 6 1    2420 4 1      C-13-H3C(O)CH3
  245397.4442  0.0285 -5.5344 3  850.3891428  595161404534310 3    534211 3      C-13-H3C(O)CH3
  245401.6675  0.0066 -6.6672 3  131.9750180  5951614042214 9 3    2115 7 3      C-13-H3C(O)CH3
  245409.0618  0.2815 -6.1934 3 1473.7909B60  595161404724923 1    724824 1      C-13-H3C(O)CH3
  245411.6252  0.0099 -6.1013 3  341.5353584  595161404361819 2    351916 2      C-13-H3C(O)CH3
  245418.3036  0.0102 -5.3367 3  181.5086408  5951614042519 7 1    2420 5 1      C-13-H3C(O)CH3
  245419.0772  0.0741 -5.8970 3 1172.4430532  595161404663432 4    663333 4      C-13-H3C(O)CH3
  245419.0774  0.0740 -5.8970 3 1172.4430532  595161404663432 3    663333 3      C-13-H3C(O)CH3
  245423.6470  0.0221 -5.2333 3  850.3617856  595161404534310 2    534211 2      C-13-H3C(O)CH3
  245425.8466  0.2803 -6.1934 3 1473.7783B60  595161404724923 2    724824 2      C-13-H3C(O)CH3
  245427.3480  0.0737 -5.8969 3 1172.4431532  595161404663532 4    663433 4      C-13-H3C(O)CH3
  245427.3647  0.0736 -5.8969 3 1172.4430532  595161404663532 3    663433 3      C-13-H3C(O)CH3
  245439.7846  0.3008 -6.8850 3 1705.1535636  595161404794535 4    794436 4      C-13-H3C(O)CH3
  245439.8030  0.0102 -5.3359 3  181.5230408  5951614042519 7 2    2420 5 2      C-13-H3C(O)CH3
  245439.8445  0.3001 -6.8850 3 1705.1534636  595161404794535 3    794436 3      C-13-H3C(O)CH3
  245441.8071  0.0669 -5.5959 3 1172.4257A64  595161404663432 1    663333 1      C-13-H3C(O)CH3
  245448.7912  0.0286 -5.3674 3  964.0341920  595161404574413 0    574314 0      C-13-H3C(O)CH3
  245448.7932  0.0286 -5.3674 3  964.0341920  595161404574414 0    574315 0      C-13-H3C(O)CH3
  245449.5195  0.0734 -5.5959 3 1172.4281A64  595161404663432 2    663333 2      C-13-H3C(O)CH3
  245449.6855  0.0670 -5.5958 3 1172.4257A64  595161404663532 1    663433 1      C-13-H3C(O)CH3
  245456.9965  0.0730 -5.5958 3 1172.4281A64  595161404663532 2    663433 2      C-13-H3C(O)CH3
  245459.0975  0.3006 -6.5839 3 1705.1489C72  595161404794535 1    794436 1      C-13-H3C(O)CH3
  245470.2352  0.3017 -6.5839 3 1705.1533C72  595161404794535 2    794436 2      C-13-H3C(O)CH3
  245472.2060  0.0663 -5.5958 3 1172.4108A64  595161404663432 0    663333 0      C-13-H3C(O)CH3
  245475.0435  0.0079 -5.5414 3  131.9673360  5951614042214 9 2    2115 7 2      C-13-H3C(O)CH3
  245479.3099  0.0664 -5.5958 3 1172.4108A64  595161404663532 0    663433 0      C-13-H3C(O)CH3
  245479.9544  0.2708 -6.4939 3 1473.8262580  595161404724923 4    724824 4      C-13-H3C(O)CH3
  245485.2249  0.0119 -6.2851 3  151.3441376  5951614042317 6 1    231410 1      C-13-H3C(O)CH3
  245489.2946  0.3013 -6.5838 3 1705.1488C72  595161404794535 0    794436 0      C-13-H3C(O)CH3
  245497.0921  0.0218 -5.2331 3  850.3486856  595161404534311 1    534212 1      C-13-H3C(O)CH3
  245500.7289  0.0158 -5.8591 3  148.4248376  5951614042316 7 1    2217 6 1      C-13-H3C(O)CH3
  245513.6950  0.0230 -5.2332 3  850.3553856  595161404534310 1    534211 1      C-13-H3C(O)CH3
  245514.3474  0.0136 -5.6356 3  181.5525204  5951614042519 6 4    2420 4 4      C-13-H3C(O)CH3
  245520.8169  0.0061 -6.3250 3  118.8800172  5951614042113 9 4    211012 4      C-13-H3C(O)CH3
  245539.3914  0.0196 -5.2330 3  850.3279856  595161404534310 0    534211 0      C-13-H3C(O)CH3
  245539.3915  0.0196 -5.2330 3  850.3279856  595161404534311 0    534212 0      C-13-H3C(O)CH3
  245545.3929  0.0107 -5.6375 3  181.5039204  5951614042519 7 3    2420 5 3      C-13-H3C(O)CH3
  245560.5515  0.0049 -6.3247 3  118.8800172  5951614042113 9 3    211012 3      C-13-H3C(O)CH3
  245569.2630  0.2043 -6.5579 3 1531.9576604  595161404754234 4    754135 4      C-13-H3C(O)CH3
  245569.3710  0.2040 -6.5579 3 1531.9575604  595161404754234 3    754135 3      C-13-H3C(O)CH3
  245597.9830  0.0290 -5.4043 3  585.2562680  5951614044241 2 2    4240 3 2      C-13-H3C(O)CH3
  245600.5346  0.1993 -6.2567 3 1531.9468C08  595161404754234 1    754135 1      C-13-H3C(O)CH3
  245614.4740  0.2053 -6.2567 3 1531.9510C08  595161404754234 2    754135 2      C-13-H3C(O)CH3
  245618.3723  0.0153 -5.6376 3  256.3770488  5951614043021 9 0    301812 0      C-13-H3C(O)CH3
  245638.1020  0.0121 -6.2940 3  151.3405376  5951614042317 6 2    231410 2      C-13-H3C(O)CH3
  245645.5902  0.1999 -6.2566 3 1531.9403C08  595161404754234 0    754135 0      C-13-H3C(O)CH3
  245675.1163  0.0233 -7.0932 3  129.6799172  5951614042117 5 4    2114 7 4      C-13-H3C(O)CH3
  245684.3047  0.0246 -5.4044 3  585.2961680  5951614044241 1 0    4240 2 0      C-13-H3C(O)CH3
  245684.3047  0.0246 -5.4044 3  585.2961680  5951614044241 2 0    4240 3 0      C-13-H3C(O)CH3
  245706.5095  0.0168 -5.6629 3  256.3552488  5951614043021 9 2    301812 2      C-13-H3C(O)CH3
  245707.9241  0.0049 -6.0203 3  118.8644344  5951614042113 9 2    211012 2      C-13-H3C(O)CH3
  245717.6245  0.0049 -6.0212 3  118.8668344  5951614042113 9 1    211012 1      C-13-H3C(O)CH3
  245763.9606  0.0375 -5.7047 3  585.2295340  5951614044241 2 4    4240 3 4      C-13-H3C(O)CH3
  245781.7513  0.0104 -5.6361 3  181.5057204  5951614042519 6 3    2420 4 3      C-13-H3C(O)CH3
  245805.4217  0.0080 -5.4601 3  131.9582360  5951614042214 9 1    2115 7 1      C-13-H3C(O)CH3
  245810.5049  0.0115 -5.6358 3  181.4572204  5951614042519 7 4    2420 5 4      C-13-H3C(O)CH3
  245812.6864  0.0169 -5.1547 3  721.6188776  5951614044842 7 2    4841 8 2      C-13-H3C(O)CH3
  245824.4141  0.0075 -6.0982 3  160.0257196  5951614042416 9 4    241312 4      C-13-H3C(O)CH3
  245843.5271  0.0232 -5.4555 3  721.6170388  5951614044842 7 4    4841 8 4      C-13-H3C(O)CH3
  245844.0905  0.0165 -6.5759 3  151.3437188  5951614042317 6 4    231410 4      C-13-H3C(O)CH3
  245850.5463  0.0297 -5.4038 3  585.2693680  5951614044241 2 1    4240 3 1      C-13-H3C(O)CH3
  245884.0811  0.0049 -6.0175 3  118.8513344  5951614042113 9 0    211012 0      C-13-H3C(O)CH3
  245895.7034  0.0051 -5.4140 3   29.4654 92  59516140411 8 4 4    10 5 5 4      C-13-H3C(O)CH3
  245895.8069  0.0381 -5.7047 3  585.2944340  5951614044241 1 3    4240 2 3      C-13-H3C(O)CH3
  245913.8763  0.0316 -5.4038 3  585.3071680  5951614044241 1 2    4240 2 2      C-13-H3C(O)CH3
  245934.6427  0.0171 -5.1546 3  721.6318776  5951614044842 6 2    4841 7 2      C-13-H3C(O)CH3
  245936.6969  0.0206 -5.4555 3  721.6483388  5951614044842 6 3    4841 7 3      C-13-H3C(O)CH3
  245953.5573  0.0156 -5.1546 3  721.6140776  5951614044842 7 0    4841 7 0      C-13-H3C(O)CH3
  245953.5573  0.0156 -5.1546 3  721.6140776  5951614044842 6 0    4841 8 0      C-13-H3C(O)CH3
  245964.6363  0.0223 -5.4554 3  721.6299388  5951614044842 7 3    4841 8 3      C-13-H3C(O)CH3
  245966.4351  0.0069 -6.1693 3  272.9892260  595161404321616 3    311913 3      C-13-H3C(O)CH3
  245969.8488  0.0067 -6.1693 3  272.9891260  595161404321616 4    311913 4      C-13-H3C(O)CH3
  245975.7121  0.0089 -5.7872 3  243.0925488  595161404301614 2    291911 2      C-13-H3C(O)CH3
  245983.1058  0.0294 -5.4037 3  585.3343680  5951614044241 1 1    4240 2 1      C-13-H3C(O)CH3
  245984.5803  0.0181 -5.1543 3  721.6122776  5951614044842 7 1    4841 8 1      C-13-H3C(O)CH3
  245990.1831  0.0038 -4.4524 3  443.7587696  595161404431429 0    431330 0      C-13-H3C(O)CH3
  245990.1831  0.0038 -4.4613 3  443.7587696  595161404431529 0    431430 0      C-13-H3C(O)CH3
  245990.1831  0.0038 -6.4001 3  443.7587696  595161404431429 0    431430 0      C-13-H3C(O)CH3
  245996.1844  0.0047 -7.1597 3  443.7291696  595161404431429 2    431430 2      C-13-H3C(O)CH3
  245996.1844  0.0047 -4.4531 3  443.7291696  595161404431429 2    431330 2      C-13-H3C(O)CH3
  245996.1844  0.0047 -4.4524 3  443.7291696  595161404431529 2    431430 2      C-13-H3C(O)CH3
  245999.6405  0.0047 -4.8707 3  443.7301696  595161404431429 1    431330 1      C-13-H3C(O)CH3
  245999.6405  0.0047 -4.6610 3  443.7301696  595161404431429 1    431430 1      C-13-H3C(O)CH3
  245999.6405  0.0047 -4.9224 3  443.7301696  595161404431529 1    431430 1      C-13-H3C(O)CH3
  245999.6405  0.0047 -4.6319 3  443.7301696  595161404431529 1    431330 1      C-13-H3C(O)CH3
  246005.5610  0.0049 -6.9847 3  443.7004348  595161404431429 4    431330 4      C-13-H3C(O)CH3
  246005.5610  0.0049 -4.7558 3  443.7004348  595161404431429 4    431430 4      C-13-H3C(O)CH3
  246005.5610  0.0049 -4.7549 3  443.7004348  595161404431529 4    431330 4      C-13-H3C(O)CH3
  246005.6636  0.0049 -5.5380 3  443.7005348  595161404431429 3    431430 3      C-13-H3C(O)CH3
  246005.6636  0.0049 -4.8311 3  443.7005348  595161404431429 3    431330 3      C-13-H3C(O)CH3
  246005.6636  0.0049 -5.5408 3  443.7005348  595161404431529 3    431330 3      C-13-H3C(O)CH3
  246005.6636  0.0049 -4.8305 3  443.7005348  595161404431529 3    431430 3      C-13-H3C(O)CH3
  246034.5052  0.0071 -5.8654 3  273.0063520  595161404321616 2    311913 2      C-13-H3C(O)CH3
  246037.9984  0.0101 -6.3860 3  162.9347392  5951614042417 7 1    241411 1      C-13-H3C(O)CH3
  246044.6368  0.0055 -6.0848 3  160.0257196  5951614042416 9 3    241312 3      C-13-H3C(O)CH3
  246047.8906  0.0070 -5.8677 3  273.0109520  595161404321616 1    311913 1      C-13-H3C(O)CH3
  246059.0371  0.0217 -5.4553 3  721.6612388  5951614044842 6 4    4841 7 4      C-13-H3C(O)CH3
  246078.2865  0.0086 -5.7855 3  243.1104488  595161404301614 0    291911 0      C-13-H3C(O)CH3
  246078.6005  0.0162 -5.1543 3  721.6435776  5951614044842 6 1    4841 7 1      C-13-H3C(O)CH3
  246079.9424  0.0393 -5.7042 3  585.2802340  5951614044241 2 3    4240 3 3      C-13-H3C(O)CH3
  246080.7781  0.0072 -6.1969 3   19.3737152  595161404 9 8 1 0     8 5 4 0      C-13-H3C(O)CH3
  246108.4608  0.0064 -5.7867 3  160.0276392  5951614042416 9 1    241312 1      C-13-H3C(O)CH3
  246116.0499  0.0068 -5.8649 3  273.0279520  595161404321616 0    311913 0      C-13-H3C(O)CH3
  246116.0554  0.0100 -6.0893 3  243.0742244  595161404301614 3    291911 3      C-13-H3C(O)CH3
  246131.4018  0.0100 -6.4846 3  162.9302392  5951614042417 7 2    241411 2      C-13-H3C(O)CH3
  246153.7561  0.0098 -6.0907 3  243.0730244  595161404301614 4    291911 4      C-13-H3C(O)CH3
  246164.7597  0.0165 -5.1526 3   46.8574108  5951614041311 3 3    1210 2 3      C-13-H3C(O)CH3
  246173.6204  0.0083 -4.8345 3  725.8906856  595161404532330 0    532231 0      C-13-H3C(O)CH3
  246173.6213  0.0083 -4.8345 3  725.8906856  595161404532430 0    532331 0      C-13-H3C(O)CH3
  246214.2038  0.0424 -5.7042 3  585.3452340  5951614044241 1 4    4240 2 4      C-13-H3C(O)CH3
  246219.8038  0.0095 -4.8342 3  725.8831856  595161404532330 1    532231 1      C-13-H3C(O)CH3
  246219.8049  0.0095 -4.8342 3  725.8831856  595161404532430 1    532331 1      C-13-H3C(O)CH3
  246219.8366  0.0125 -4.8342 3  725.8827856  595161404532330 2    532231 2      C-13-H3C(O)CH3
  246219.8378  0.0125 -4.8342 3  725.8827856  595161404532430 2    532331 2      C-13-H3C(O)CH3
  246231.6697  0.0092 -5.7874 3  243.0917488  595161404301614 1    291911 1      C-13-H3C(O)CH3
  246242.5526  0.0201 -6.8407 3  290.6676520  595161404322211 1    321913 1      C-13-H3C(O)CH3
  246266.0967  0.0126 -5.1349 3  725.8751428  595161404532330 3    532231 3      C-13-H3C(O)CH3
  246266.0981  0.0126 -5.1349 3  725.8751428  595161404532430 3    532331 3      C-13-H3C(O)CH3
  246266.2125  0.0127 -5.1349 3  725.8751428  595161404532330 4    532231 4      C-13-H3C(O)CH3
  246266.2138  0.0127 -5.1349 3  725.8751428  595161404532430 4    532331 4      C-13-H3C(O)CH3
  246286.9687  0.0059 -5.7841 3  160.0235392  5951614042416 9 2    241312 2      C-13-H3C(O)CH3
  246296.4717  0.0031 -4.1766 3   46.7822108  5951614041311 3 4    1210 3 4      C-13-H3C(O)CH3
  246301.8830  0.0261 -5.2115 3  955.0683968  595161404602931 0    602832 0      C-13-H3C(O)CH3
  246302.0749  0.0261 -5.2115 3  955.0683968  595161404603031 0    602932 0      C-13-H3C(O)CH3
  246306.5627  0.0199 -6.9590 3  694.2650840  595161404522230 1    512527 1      C-13-H3C(O)CH3
  246306.8659  0.0199 -6.9590 3  694.2649840  595161404522330 1    512427 1      C-13-H3C(O)CH3
  246308.2788  0.0275 -5.2114 3  955.0782968  595161404602931 1    602832 1      C-13-H3C(O)CH3
  246308.4994  0.0275 -5.2114 3  955.0782968  595161404603031 1    602932 1      C-13-H3C(O)CH3
  246311.7585  0.0330 -5.2114 3  955.0791968  595161404602931 2    602832 2      C-13-H3C(O)CH3
  246311.9691  0.0330 -5.2114 3  955.0791968  595161404603031 2    602932 2      C-13-H3C(O)CH3
  246316.5251  0.0229 -6.9577 3  694.2641840  595161404522230 2    512527 2      C-13-H3C(O)CH3
  246316.8299  0.0229 -6.9577 3  694.2641840  595161404522330 2    512427 2      C-13-H3C(O)CH3
  246318.1856  0.0339 -5.5123 3  955.0890484  595161404602931 3    602832 3      C-13-H3C(O)CH3
  246318.2569  0.0340 -5.5123 3  955.0890484  595161404602931 4    602832 4      C-13-H3C(O)CH3
  246318.4277  0.0339 -5.5123 3  955.0890484  595161404603031 3    602932 3      C-13-H3C(O)CH3
  246318.4977  0.0340 -5.5123 3  955.0890484  595161404603031 4    602932 4      C-13-H3C(O)CH3
  246338.9008  0.0160 -6.9591 3  694.2730840  595161404522230 0    512527 0      C-13-H3C(O)CH3
  246339.1750  0.0160 -6.9591 3  694.2730840  595161404522330 0    512427 0      C-13-H3C(O)CH3
  246346.5418  0.0138 -6.5751 3  162.9316196  5951614042417 7 4    241411 4      C-13-H3C(O)CH3
  246380.1486  0.0030 -4.2243 3   46.8574108  5951614041311 2 3    1210 2 3      C-13-H3C(O)CH3
  246381.1222  0.0583 -5.8004 3 1056.7528484  595161404604516 4    604417 4      C-13-H3C(O)CH3
  246406.3034  0.0031 -4.2241 3   46.8494108  5951614041311 3 3    1210 3 3      C-13-H3C(O)CH3
  246438.3918  0.0248 -7.0099 3  290.6404260  595161404322211 3    321913 3      C-13-H3C(O)CH3
  246460.5524  0.0060 -5.7796 3  160.0254392  5951614042416 9 0    241312 0      C-13-H3C(O)CH3
  246471.9678  0.0015 -4.3025 3   80.6743148 -59516140418 810 3    17 9 9 3      C-13-H3C(O)CH3
  246475.3078  0.0017 -4.3025 3   80.6743148 -59516140418 810 4    17 9 9 4      C-13-H3C(O)CH3
  246490.1537  0.7067 -7.0241 3 1756.9600636  595161404795227 3    795128 3      C-13-H3C(O)CH3
  246491.0150  0.0023 -4.1750 3   46.9246108  5951614041311 2 4    1210 2 4      C-13-H3C(O)CH3
  246497.9592  0.1796 -6.2971 3 1362.5282556  595161404694822 4    694723 4      C-13-H3C(O)CH3
  246503.0119  0.0547 -5.8001 3 1056.7701484  595161404604516 3    604417 3      C-13-H3C(O)CH3
  246517.4099  0.0345 -5.6582 3  565.6110664  5951614044141 1 2    4140 2 2      C-13-H3C(O)CH3
  246519.3783  0.0121 -5.6121 3  131.9354180  5951614042214 9 4    2115 7 4      C-13-H3C(O)CH3
  246540.7935  0.0076 -6.5129 3   19.4350152  595161404 9 8 1 1     8 5 4 1      C-13-H3C(O)CH3
  246560.6233  0.0028 -3.8744 3   46.7823216  5951614041311 3 1    1210 3 1      C-13-H3C(O)CH3
  246564.9846  0.0017 -4.0019 3   80.6437296 -59516140418 810 2    17 9 9 2      C-13-H3C(O)CH3
  246566.5271  0.0077 -6.5083 3   19.4346152  595161404 9 8 1 2     8 5 4 2      C-13-H3C(O)CH3
  246567.3584  0.0016 -4.0015 3   80.6461296 -59516140418 810 1    17 9 9 1      C-13-H3C(O)CH3
  246573.8831  0.0495 -5.4989 3 1056.7255968  595161404604516 2    604417 2      C-13-H3C(O)CH3
  246575.8080  0.0293 -5.6584 3  565.6590664  5951614044141 0 0    4140 2 0      C-13-H3C(O)CH3
  246575.8080  0.0293 -5.6584 3  565.6590664  5951614044141 1 0    4140 1 0      C-13-H3C(O)CH3
  246582.7836  0.0499 -5.8000 3 1056.7723484  595161404604515 3    604416 3      C-13-H3C(O)CH3
  246596.9644  0.0027 -3.8742 3   46.7903216  5951614041311 3 2    1210 3 2      C-13-H3C(O)CH3
  246601.8860  0.0048 -5.3549 3   29.4645 92  59516140411 8 4 3    10 5 5 3      C-13-H3C(O)CH3
  246607.5314  0.0118 -6.7033 3  460.5390340  595161404421923 4    412220 4      C-13-H3C(O)CH3
  246607.5869  0.0118 -6.7033 3  460.5391340  595161404421923 3    412220 3      C-13-H3C(O)CH3
  246607.6706  0.5280 -6.7076 3 1756.9313C72  595161404795227 0    795128 0      C-13-H3C(O)CH3
  246608.7422  0.0110 -6.4032 3  460.5657680  595161404421923 1    412220 1      C-13-H3C(O)CH3
  246617.3045  0.0450 -5.4988 3 1056.7194968  595161404604516 1    604417 1      C-13-H3C(O)CH3
  246621.6923  0.0165 -5.1514 3   46.8494108  5951614041311 2 3    1210 3 3      C-13-H3C(O)CH3
  246654.5911  0.0025 -3.8736 3   46.8570216  5951614041311 2 1    1210 2 1      C-13-H3C(O)CH3
  246657.2647  0.0117 -6.4009 3  460.5616680  595161404421923 2    412220 2      C-13-H3C(O)CH3
  246657.5233  0.6338 -7.0357 3 1756.9277636  595161404795228 4    795129 4      C-13-H3C(O)CH3
  246658.1084  0.0095 -6.4019 3  460.5882680  595161404421923 0    412220 0      C-13-H3C(O)CH3
  246658.4841  0.0016 -4.0020 3   80.6156296 -59516140418 810 0    17 9 9 0      C-13-H3C(O)CH3
  246659.6673  0.0047 -5.9801 3  417.8452340  595161404421429 4    421330 4      C-13-H3C(O)CH3
  246659.6673  0.0047 -4.7521 3  417.8452340  595161404421429 4    421230 4      C-13-H3C(O)CH3
  246659.6673  0.0047 -4.7521 3  417.8452340  595161404421329 4    421330 4      C-13-H3C(O)CH3
  246659.6673  0.0047 -5.9801 3  417.8452340  595161404421329 4    421230 4      C-13-H3C(O)CH3
  246659.8101  0.0047 -5.9193 3  417.8452340  595161404421329 3    421230 3      C-13-H3C(O)CH3
  246659.8101  0.0047 -5.9193 3  417.8452340  595161404421429 3    421330 3      C-13-H3C(O)CH3
  246659.8101  0.0047 -4.7560 3  417.8452340  595161404421429 3    421230 3      C-13-H3C(O)CH3
  246659.8101  0.0047 -4.7560 3  417.8452340  595161404421329 3    421330 3      C-13-H3C(O)CH3
  246666.3296  0.0046 -6.1643 3  417.8734680  595161404421429 2    421230 2      C-13-H3C(O)CH3
  246666.3296  0.0046 -4.4341 3  417.8734680  595161404421329 2    421230 2      C-13-H3C(O)CH3
  246666.3296  0.0046 -4.4341 3  417.8734680  595161404421429 2    421330 2      C-13-H3C(O)CH3
  246666.3296  0.0046 -6.1643 3  417.8734680  595161404421329 2    421330 2      C-13-H3C(O)CH3
  246669.8968  0.0047 -6.4770 3  417.8744680  595161404421329 1    421230 1      C-13-H3C(O)CH3
  246669.8968  0.0047 -4.4300 3  417.8744680  595161404421329 1    421330 1      C-13-H3C(O)CH3
  246669.8968  0.0047 -6.4770 3  417.8744680  595161404421429 1    421330 1      C-13-H3C(O)CH3
  246669.8968  0.0047 -4.4300 3  417.8744680  595161404421429 1    421230 1      C-13-H3C(O)CH3
  246676.3846  0.0037 -4.6457 3  417.9025680 -595161404421329 0    421230 0      C-13-H3C(O)CH3
  246676.3846  0.0037 -4.6457 3  417.9025680 -595161404421429 0    421330 0      C-13-H3C(O)CH3
  246676.4134  0.0037 -4.8274 3  417.9025680  595161404421329 0    421330 0      C-13-H3C(O)CH3
  246676.4134  0.0037 -4.8274 3  417.9025680  595161404421429 0    421230 0      C-13-H3C(O)CH3
  246682.1297  0.2046 -5.9955 3 1362.5066B12  595161404694822 1    694723 1      C-13-H3C(O)CH3
  246694.2554  0.0028 -3.8733 3   46.8580216  5951614041311 2 2    1210 2 2      C-13-H3C(O)CH3
  246697.4627  0.0170 -6.6244 3  140.1584180  5951614042217 6 4    2214 9 4      C-13-H3C(O)CH3
  246698.6768  0.0055 -5.0780 3   29.4080184  59516140411 8 4 1    10 5 5 1      C-13-H3C(O)CH3
  246704.0275  0.0499 -5.7996 3 1056.7896484  595161404604515 4    604416 4      C-13-H3C(O)CH3
  246717.8347  0.0440 -5.9586 3  565.5816332  5951614044141 1 4    4140 2 4      C-13-H3C(O)CH3
  246738.7520  0.0493 -5.4984 3 1056.7367968  595161404604515 1    604416 1      C-13-H3C(O)CH3
  246739.3663  0.1677 -6.2974 3 1362.5507556  595161404694822 3    694723 3      C-13-H3C(O)CH3
  246768.8222  0.5806 -6.7540 3 1756.9381C72  595161404795227 2    795128 2      C-13-H3C(O)CH3
  246774.9088  0.0474 -5.4984 3 1056.7449968  595161404604515 2    604416 2      C-13-H3C(O)CH3
  246776.3304  0.0110 -6.4025 3  460.5601680  595161404422023 1    412120 1      C-13-H3C(O)CH3
  246776.3961  0.0349 -5.6577 3  565.6296664  5951614044141 1 1    4140 2 1      C-13-H3C(O)CH3
  246782.4930  0.0121 -6.7026 3  460.5332340  595161404422023 4    412120 4      C-13-H3C(O)CH3
  246782.9210  0.0121 -6.7026 3  460.5332340  595161404422023 3    412120 3      C-13-H3C(O)CH3
  246787.1366  0.0025 -3.8723 3   46.7922216 -5951614041311 3 0    1210 2 0      C-13-H3C(O)CH3
  246792.5063  0.1560 -6.2972 3 1362.5541556  595161404694821 3    694722 3      C-13-H3C(O)CH3
  246793.2868  0.1872 -5.9952 3 1362.5021B12  595161404694822 2    694723 2      C-13-H3C(O)CH3
  246802.2171  0.0466 -7.1109 3  400.5974616  595161404382315 2    372611 2      C-13-H3C(O)CH3
  246809.4308  0.0482 -5.4982 3 1056.6920968  595161404604515 0    604416 0      C-13-H3C(O)CH3
  246809.4516  0.0482 -5.4982 3 1056.6920968  595161404604516 0    604417 0      C-13-H3C(O)CH3
  246822.6948  0.0095 -6.4013 3  460.5828680  595161404422023 0    412120 0      C-13-H3C(O)CH3
  246828.1289  0.7293 -6.8042 3 1756.9333C72  595161404795228 1    795129 1      C-13-H3C(O)CH3
  246829.4083  0.0118 -6.4003 3  460.5559680  595161404422023 2    412120 2      C-13-H3C(O)CH3
  246834.8325  0.6142 -6.8046 3 1756.9583C72  595161404795227 1    795128 1      C-13-H3C(O)CH3
  246844.7311  0.0461 -5.9586 3  565.6528332  5951614044141 0 3    4140 1 3      C-13-H3C(O)CH3
  246850.1551  0.0065 -5.0759 3   29.4054184  59516140411 8 4 2    10 5 5 2      C-13-H3C(O)CH3
  246864.6697  0.0399 -5.6577 3  565.6711664  5951614044141 0 2    4140 1 2      C-13-H3C(O)CH3
  246903.8807  0.0355 -5.6577 3  565.7009664  5951614044141 0 1    4140 1 1      C-13-H3C(O)CH3
  246924.6980  0.0251 -6.4820 3  148.3873188  5951614042316 7 4    2217 6 4      C-13-H3C(O)CH3
  246930.8061  0.0025 -3.8719 3   46.7887216  5951614041311 2 0    1210 3 0      C-13-H3C(O)CH3
  246937.4931  0.0065 -6.5867 3   94.3138156  5951614041910 9 3    19 712 3      C-13-H3C(O)CH3
  246943.0257  0.5896 -6.7532 3 1756.9069C72  595161404795228 2    795129 2      C-13-H3C(O)CH3
  246943.5740  0.6537 -7.0353 3 1756.9684636  595161404795227 4    795128 4      C-13-H3C(O)CH3
  246954.4173  0.0093 -6.5866 3   94.3138156  5951614041910 9 4    19 712 4      C-13-H3C(O)CH3
  246968.6267  0.0305 -6.8230 3  289.4013488  5951614043028 2 1    2929 0 1      C-13-H3C(O)CH3
  246973.0966  0.2082 -5.9947 3 1362.4808B12  595161404694821 0    694722 0      C-13-H3C(O)CH3
  246976.7171  0.2004 -5.9948 3 1362.5326B12  595161404694821 1    694722 1      C-13-H3C(O)CH3
  246982.1096  0.2081 -5.9947 3 1362.4804B12  595161404694822 0    694723 0      C-13-H3C(O)CH3
  246994.5705  0.0066 -6.2815 3   94.2872312  5951614041910 9 2    19 712 2      C-13-H3C(O)CH3
  247012.9315  0.0310 -6.8219 3  289.4537488  5951614043028 2 0    2929 1 0      C-13-H3C(O)CH3
  247012.9315  0.0310 -6.8219 3  289.4537488  5951614043028 3 0    2929 0 0      C-13-H3C(O)CH3
  247033.2406  0.1679 -6.2958 3 1362.5767556  595161404694821 4    694722 4      C-13-H3C(O)CH3
  247034.2778  0.1845 -5.9947 3 1362.5246B12  595161404694821 2    694722 2      C-13-H3C(O)CH3
  247065.5681  0.0487 -5.9580 3  565.6417332  5951614044141 1 3    4140 2 3      C-13-H3C(O)CH3
  247095.7304  0.0074 -6.8579 3   19.4953 76  595161404 9 8 1 4     8 5 4 4      C-13-H3C(O)CH3
  247098.8683  0.0821 -5.9494 3 1154.0332508  595161404634618 4    634519 4      C-13-H3C(O)CH3
  247111.2547  0.5234 -7.0220 3 1756.9360636  595161404795228 3    795129 3      C-13-H3C(O)CH3
  247124.6430  0.0065 -6.2826 3   94.2888312  5951614041910 9 1    19 712 1      C-13-H3C(O)CH3
  247161.2287  0.0173 -5.1680 3  698.9970760  5951614044742 6 2    4741 7 2      C-13-H3C(O)CH3
  247167.5755  0.5131 -6.7056 3 1756.9093C72  595161404795228 0    795129 0      C-13-H3C(O)CH3
  247173.3615  0.1198 -6.1151 3 1255.9523532  595161404664720 4    664621 4      C-13-H3C(O)CH3
  247173.9745  0.0063 -6.2785 3   94.2622312  5951614041910 9 0    19 712 0      C-13-H3C(O)CH3
  247177.6235  0.4489 -6.8347 3 1838.6558D20  595161404824636 1    824537 1      C-13-H3C(O)CH3
  247183.4300  0.5305 -7.1357 3 1838.6558660  595161404824636 4    824537 4      C-13-H3C(O)CH3
  247183.4470  0.5313 -7.1357 3 1838.6558660  595161404824636 3    824537 3      C-13-H3C(O)CH3
  247183.8217  0.0180 -5.5839 3  290.6676520  595161404322210 1    321913 1      C-13-H3C(O)CH3
  247194.9865  0.0520 -5.9580 3  565.7130332  5951614044141 0 4    4140 1 4      C-13-H3C(O)CH3
  247206.0190  0.0272 -5.5159 3  825.2339420  595161404524310 3    524211 3      C-13-H3C(O)CH3
  247206.7605  0.0276 -5.5159 3  825.2375420  595161404524310 4    524211 4      C-13-H3C(O)CH3
  247219.1465  0.0237 -5.4687 3  698.9909380  5951614044742 6 4    4741 7 4      C-13-H3C(O)CH3
  247235.1726  0.0210 -5.2148 3  825.2215840  5951614045243 9 2    524210 2      C-13-H3C(O)CH3
  247235.2037  0.0212 -5.2149 3  825.2179840  595161404524310 2    524211 2      C-13-H3C(O)CH3
  247245.6118  0.0277 -5.5160 3  825.2452420  5951614045243 9 4    524210 4      C-13-H3C(O)CH3
  247245.9382  0.0266 -5.5159 3  825.2489420  5951614045243 9 3    524210 3      C-13-H3C(O)CH3
  247250.3775  0.0015 -4.1905 3   86.0664156 -59516140419 712 3    18 811 3      C-13-H3C(O)CH3
  247250.3775  0.0016 -4.1905 3   86.0665156 -59516140419 712 4    18 811 4      C-13-H3C(O)CH3
  247252.6335  0.0302 -7.1237 3  289.3344244  5951614043028 2 4    2929 0 4      C-13-H3C(O)CH3
  247255.9021  0.4527 -6.8344 3 1838.6606D20  595161404824636 0    824537 0      C-13-H3C(O)CH3
  247261.4493  0.5466 -6.8345 3 1838.6607D20  595161404824636 2    824537 2      C-13-H3C(O)CH3
  247264.7215  0.0046 -6.8160 3  392.5748332  595161404411329 4    411130 4      C-13-H3C(O)CH3
  247264.7215  0.0046 -6.8160 3  392.5748332  595161404411229 4    411230 4      C-13-H3C(O)CH3
  247264.7642  0.0046 -4.7082 3  392.5748332 -595161404411329 4    411230 4      C-13-H3C(O)CH3
  247264.7642  0.0046 -4.7082 3  392.5748332 -595161404411229 4    411130 4      C-13-H3C(O)CH3
  247264.7642  0.0045 -5.0603 3  392.5749332 -595161404411329 3    411230 3      C-13-H3C(O)CH3
  247264.7642  0.0045 -5.0603 3  392.5749332 -595161404411229 3    411130 3      C-13-H3C(O)CH3
  247264.9033  0.0045 -4.9575 3  392.5749332  595161404411229 3    411230 3      C-13-H3C(O)CH3
  247264.9033  0.0045 -4.9575 3  392.5749332  595161404411329 3    411130 3      C-13-H3C(O)CH3
  247266.5736  0.0015 -4.1905 3   86.0660156 -59516140419 812 3    18 711 3      C-13-H3C(O)CH3
  247266.5736  0.0016 -4.1905 3   86.0660156 -59516140419 812 4    18 711 4      C-13-H3C(O)CH3
  247279.2415  0.0773 -5.9490 3 1154.0566508  595161404634618 3    634518 3      C-13-H3C(O)CH3
  247290.4644  0.0045 -4.5430 3  392.6017664  595161404411229 2    411130 2      C-13-H3C(O)CH3
  247290.4644  0.0045 -4.5430 3  392.6017664  595161404411329 2    411230 2      C-13-H3C(O)CH3
  247290.4667  0.0045 -4.9652 3  392.6017664 -595161404411229 2    411230 2      C-13-H3C(O)CH3
  247290.4667  0.0045 -4.9652 3  392.6017664 -595161404411329 2    411130 2      C-13-H3C(O)CH3
  247294.0868  0.0046 -6.8567 3  392.6027664  595161404411229 1    411230 1      C-13-H3C(O)CH3
  247294.0868  0.0046 -6.8567 3  392.6027664  595161404411329 1    411130 1      C-13-H3C(O)CH3
  247294.0868  0.0046 -4.4053 3  392.6027664  595161404411329 1    411230 1      C-13-H3C(O)CH3
  247294.0868  0.0046 -4.4053 3  392.6027664  595161404411229 1    411130 1      C-13-H3C(O)CH3
  247297.2332  0.0159 -5.1678 3  699.0000760  5951614044742 5 0    4741 6 0      C-13-H3C(O)CH3
  247297.2332  0.0159 -5.1678 3  699.0000760  5951614044742 6 0    4741 7 0      C-13-H3C(O)CH3
  247297.4028  0.0298 -6.8215 3  289.3867488  5951614043028 3 2    2929 0 2      C-13-H3C(O)CH3
  247301.7318  0.0161 -6.7005 3  129.6679344  5951614042117 5 1    2114 7 1      C-13-H3C(O)CH3
  247319.5324  0.0038 -4.4391 3  392.6294664 -595161404411329 0    411230 0      C-13-H3C(O)CH3
  247319.5324  0.0038 -4.4391 3  392.6294664 -595161404411229 0    411130 0      C-13-H3C(O)CH3
  247319.6143  0.0038 -5.5090 3  392.6294664  595161404411229 0    411230 0      C-13-H3C(O)CH3
  247319.6143  0.0038 -5.5090 3  392.6294664  595161404411329 0    411130 0      C-13-H3C(O)CH3
  247322.0492  0.0210 -5.4687 3  699.0283380  5951614044742 5 3    4741 6 3      C-13-H3C(O)CH3
  247325.9442  0.0172 -5.1677 3  699.0161760  5951614044742 5 2    4741 6 2      C-13-H3C(O)CH3
  247333.2261  0.0680 -5.9488 3 1154.0552508  595161404634617 3    634519 3      C-13-H3C(O)CH3
  247333.5399  0.0757 -5.6477 3 1154.0016A16  595161404634618 1    634519 1      C-13-H3C(O)CH3
  247334.2762  0.0017 -3.8894 3   86.0386312 -59516140419 712 1    18 811 1      C-13-H3C(O)CH3
  247336.6406  0.0215 -5.2146 3  825.2095840  595161404524310 1    524211 1      C-13-H3C(O)CH3
  247337.4488  0.0017 -3.8896 3   86.0369312 -59516140419 712 2    18 811 2      C-13-H3C(O)CH3
  247341.6638  0.0779 -5.6477 3 1154.0063A16  595161404634618 2    634519 2      C-13-H3C(O)CH3
  247349.3341  0.0053 -5.0574 3   29.3486184  59516140411 8 4 0    10 5 5 0      C-13-H3C(O)CH3
  247350.7402  0.0016 -3.8893 3   86.0381312 -59516140419 812 1    18 711 1      C-13-H3C(O)CH3
  247352.4521  0.0281 -7.0973 3  162.8062196  5951614042417 8 4    2318 5 4      C-13-H3C(O)CH3
  247354.4102  0.0017 -3.8895 3   86.0364312 -59516140419 812 2    18 711 2      C-13-H3C(O)CH3
  247355.4462  0.0182 -5.1675 3  698.9939760  5951614044742 6 1    4741 7 1      C-13-H3C(O)CH3
  247364.2462  0.0331 -6.8209 3  289.3728488  5951614043028 3 1    2929 1 1      C-13-H3C(O)CH3
  247364.9596  0.0186 -5.2146 3  825.1934840  595161404524310 0    524211 0      C-13-H3C(O)CH3
  247364.9596  0.0186 -5.2146 3  825.1934840  5951614045243 9 0    524210 0      C-13-H3C(O)CH3
  247374.0435  0.0074 -4.7830 3  694.2384840  595161404522230 0    522131 0      C-13-H3C(O)CH3
  247374.0438  0.0074 -4.7830 3  694.2384840  595161404522330 0    522231 0      C-13-H3C(O)CH3
  247376.4023  0.0215 -5.2146 3  825.2208840  5951614045243 9 1    524210 1      C-13-H3C(O)CH3
  247382.9007  0.0233 -5.8790 3  290.6403260  595161404322210 4    321913 4      C-13-H3C(O)CH3
  247383.1537  0.0223 -5.4685 3  699.0099380  5951614044742 6 3    4741 7 3      C-13-H3C(O)CH3
  247389.6545  0.1276 -5.8135 3 1255.9246A64  595161404664720 1    664621 1      C-13-H3C(O)CH3
  247412.2006  0.1087 -6.1146 3 1255.9787532  595161404664719 3    664620 3      C-13-H3C(O)CH3
  247418.7717  0.0388 -5.6364 3  936.9207452  595161404564413 4    564314 4      C-13-H3C(O)CH3
  247419.1939  0.0015 -4.2982 3   80.6493148 -59516140418 910 4    17 8 9 4      C-13-H3C(O)CH3
  247421.1743  0.0016 -3.8895 3   86.0091312 -59516140419 712 0    18 811 0      C-13-H3C(O)CH3
  247421.3061  0.1017 -6.1146 3 1255.9751532  595161404664720 3    664621 3      C-13-H3C(O)CH3
  247422.5430  0.0245 -5.8952 3  290.6404260  595161404322210 3    321913 3      C-13-H3C(O)CH3
  247423.6915  0.0108 -4.7827 3  694.2271840  595161404522230 2    522131 2      C-13-H3C(O)CH3
  247423.6918  0.0108 -4.7827 3  694.2271840  595161404522330 2    522231 2      C-13-H3C(O)CH3
  247423.7990  0.0016 -4.2982 3   80.6491148 -59516140418 910 3    17 8 9 3      C-13-H3C(O)CH3
  247424.0690  0.0084 -4.7827 3  694.2277840  595161404522230 1    522131 1      C-13-H3C(O)CH3
  247424.0694  0.0084 -4.7827 3  694.2277840  595161404522330 1    522231 1      C-13-H3C(O)CH3
  247438.1850  0.0016 -3.8894 3   86.0086312 -59516140419 812 0    18 711 0      C-13-H3C(O)CH3
  247451.5078  0.1227 -5.8133 3 1255.9258A64  595161404664720 2    664621 2      C-13-H3C(O)CH3
  247451.6000  0.0357 -5.6362 3  936.9263452  595161404564413 3    564314 3      C-13-H3C(O)CH3
  247452.9917  0.0244 -6.2745 3  264.4750472  5951614042926 3 0    2827 2 0      C-13-H3C(O)CH3
  247452.9917  0.0244 -6.2745 3  264.4750472  5951614042926 4 0    2827 1 0      C-13-H3C(O)CH3
  247454.7175  0.0245 -6.3862 3  318.8294552  595161404342014 2    332311 2      C-13-H3C(O)CH3
  247459.1643  0.0164 -5.1675 3  699.0314760  5951614044742 5 1    4741 6 1      C-13-H3C(O)CH3
  247473.7975  0.0109 -5.0835 3  694.2164420  595161404522230 3    522131 3      C-13-H3C(O)CH3
  247473.7979  0.0109 -5.0835 3  694.2164420  595161404522330 3    522231 3      C-13-H3C(O)CH3
  247473.9093  0.0110 -5.0834 3  694.2163420  595161404522230 4    522131 4      C-13-H3C(O)CH3
  247473.9097  0.0110 -5.0834 3  694.2163420  595161404522330 4    522231 4      C-13-H3C(O)CH3
  247487.5536  0.0224 -5.4684 3  699.0472380  5951614044742 5 4    4741 6 4      C-13-H3C(O)CH3
  247497.1266  0.0307 -7.1214 3  289.3312244  5951614043028 2 3    2929 0 3      C-13-H3C(O)CH3
  247512.8681  0.0724 -5.9484 3 1154.0787508  595161404634617 4    634518 4      C-13-H3C(O)CH3
  247513.5654  0.0848 -5.6473 3 1154.0250A16  595161404634617 1    634518 1      C-13-H3C(O)CH3
  247516.7372  0.0407 -6.9625 3  400.5736616  595161404382315 2    372612 2      C-13-H3C(O)CH3
  247517.8951  0.0295 -5.3351 3  936.8942904  595161404564413 2    564314 2      C-13-H3C(O)CH3
  247526.5200  0.0237 -6.2751 3  264.4115472  5951614042926 4 1    2827 1 1      C-13-H3C(O)CH3
  247527.7312  0.0016 -3.9971 3   80.6207296 -59516140418 910 1    17 8 9 1      C-13-H3C(O)CH3
  247531.4184  0.0361 -5.6361 3  936.9352452  595161404564412 3    564313 3      C-13-H3C(O)CH3
  247542.8266  0.0299 -6.8193 3  289.3835488  5951614043028 2 2    2929 1 2      C-13-H3C(O)CH3
  247547.7313  0.0017 -3.9975 3   80.6177296 -59516140418 910 2    17 8 9 2      C-13-H3C(O)CH3
  247563.9986  0.0347 -5.6360 3  936.9408452  595161404564412 4    564313 4      C-13-H3C(O)CH3
  247564.3423  0.0036 -7.0607 3  129.4317360  595161404221310 2    2114 8 2      C-13-H3C(O)CH3
  247565.3086  0.3367 -6.6334 3 1553.2198596  595161404745025 4    744926 4      C-13-H3C(O)CH3
  247575.5372  0.0757 -5.6471 3 1154.0284A16  595161404634617 2    634518 2      C-13-H3C(O)CH3
  247575.8834  0.0840 -5.6470 3 1153.9747A16  595161404634617 0    634518 0      C-13-H3C(O)CH3
  247576.0667  0.0840 -5.6470 3 1153.9747A16  595161404634618 0    634519 0      C-13-H3C(O)CH3
  247602.2077  0.0167 -5.5619 3  290.6780520  595161404322210 0    321913 0      C-13-H3C(O)CH3
  247620.4108  0.1179 -6.1699 3 1325.7396564  595161404703733 4    703634 4      C-13-H3C(O)CH3
  247620.4408  0.1179 -6.1699 3 1325.7395564  595161404703733 3    703634 3      C-13-H3C(O)CH3
  247624.2914  0.0281 -5.3349 3  936.8905904  595161404564413 1    564314 1      C-13-H3C(O)CH3
  247628.2512  0.1354 -5.8129 3 1255.9510A64  595161404664719 1    664620 1      C-13-H3C(O)CH3
  247629.8663  0.0282 -5.3348 3  936.9086904  595161404564412 2    564313 2      C-13-H3C(O)CH3
  247646.3869  0.0305 -7.1215 3  289.3059244  5951614043028 3 3    2929 1 3      C-13-H3C(O)CH3
  247653.5519  0.0015 -3.9975 3   80.5893296 -59516140418 910 0    17 8 9 0      C-13-H3C(O)CH3
  247653.8681  0.1099 -5.8687 3 1325.7231B28  595161404703733 1    703634 1      C-13-H3C(O)CH3
  247655.7037  0.1159 -6.1697 3 1325.7397564  595161404703833 4    703734 4      C-13-H3C(O)CH3
  247655.7687  0.1158 -6.1697 3 1325.7397564  595161404703833 3    703734 3      C-13-H3C(O)CH3
  247656.6797  0.0258 -5.3347 3  936.8961904  595161404564412 1    564313 1      C-13-H3C(O)CH3
  247659.4164  0.1084 -6.1140 3 1256.0016532  595161404664719 4    664620 4      C-13-H3C(O)CH3
  247666.0331  0.1181 -5.8687 3 1325.7264B28  595161404703733 2    703634 2      C-13-H3C(O)CH3
  247667.0200  0.1375 -5.8127 3 1255.8982A64  595161404664719 0    664620 0      C-13-H3C(O)CH3
  247668.4014  0.1375 -5.8127 3 1255.8982A64  595161404664720 0    664621 0      C-13-H3C(O)CH3
  247669.9719  0.0203 -6.9294 3  129.6716172  5951614042117 5 3    2114 7 3      C-13-H3C(O)CH3
  247675.6498  0.0087 -4.5884 3   51.5078116 -5951614041410 5 4    13 9 4 4      C-13-H3C(O)CH3
  247687.3756  0.0441 -6.9568 3  507.2223696  595161404432519 2    422814 2      C-13-H3C(O)CH3
  247688.1456  0.1101 -5.8686 3 1325.7233B28  595161404703833 1    703734 1      C-13-H3C(O)CH3
  247695.2857  0.3809 -6.3332 3 1553.2130B92  595161404745025 1    744926 1      C-13-H3C(O)CH3
  247698.4270  0.1161 -5.8686 3 1325.7265B28  595161404703833 2    703734 2      C-13-H3C(O)CH3
  247699.1387  0.1196 -5.8128 3 1255.9487A64  595161404664719 2    664620 2      C-13-H3C(O)CH3
  247699.3676  0.1100 -5.8686 3 1325.7100B28  595161404703733 0    703634 0      C-13-H3C(O)CH3
  247708.8002  0.6733 -6.8948 3 1553.2439596  595161404745025 3    744925 3      C-13-H3C(O)CH3
  247713.8231  0.0038 -6.8291 3  129.4305360  595161404221310 1    2114 8 1      C-13-H3C(O)CH3
  247714.4495  0.0072 -6.6607 3   95.9602312  5951614041911 8 2    1812 6 2      C-13-H3C(O)CH3
  247722.0700  0.0076 -6.3006 3   95.9902156  5951614041911 8 4    1812 6 4      C-13-H3C(O)CH3
  247722.4556  0.0249 -5.3346 3  936.8640904  595161404564412 0    564313 0      C-13-H3C(O)CH3
  247722.4560  0.0249 -5.3346 3  936.8640904  595161404564413 0    564314 0      C-13-H3C(O)CH3
  247730.7831  0.1103 -5.8685 3 1325.7101B28  595161404703833 0    703734 0      C-13-H3C(O)CH3
  247770.4968  0.0638 -5.8212 3 1133.4077524  595161404653332 3    653233 3      C-13-H3C(O)CH3
  247770.5090  0.0639 -5.8212 3 1133.4077524  595161404653332 4    653233 4      C-13-H3C(O)CH3
  247773.7920  0.0637 -5.8212 3 1133.4077524  595161404653432 3    653333 3      C-13-H3C(O)CH3
  247773.7956  0.0638 -5.8212 3 1133.4077524  595161404653432 4    653333 4      C-13-H3C(O)CH3
  247787.2000  0.0570 -5.5201 3 1133.3907A48  595161404653332 1    653233 1      C-13-H3C(O)CH3
  247790.3077  0.0571 -5.5201 3 1133.3907A48  595161404653432 1    653333 1      C-13-H3C(O)CH3
  247793.7553  0.0631 -5.5201 3 1133.3928A48  595161404653332 2    653233 2      C-13-H3C(O)CH3
  247796.6963  0.0629 -5.5201 3 1133.3928A48  595161404653432 2    653333 2      C-13-H3C(O)CH3
  247800.3739  0.8928 -6.9762 3 1553.2408596  595161404745025 3    744926 3      C-13-H3C(O)CH3
  247805.9217  0.0199 -6.3527 3  318.8495552  595161404342014 0    332311 0      C-13-H3C(O)CH3
  247810.4398  0.0563 -5.5200 3 1133.3758A48  595161404653332 0    653233 0      C-13-H3C(O)CH3
  247813.2116  0.0563 -5.5200 3 1133.3758A48  595161404653432 0    653333 0      C-13-H3C(O)CH3
  247817.6754  0.0238 -6.2735 3  264.4066472  5951614042926 4 2    2827 2 2      C-13-H3C(O)CH3
  247823.5222  0.0046 -5.6327 3  367.8907324  595161404401129 4    401130 4      C-13-H3C(O)CH3
  247823.5222  0.0046 -5.6327 3  367.8907324  595161404401229 4    401030 4      C-13-H3C(O)CH3
  247823.6623  0.0046 -4.7389 3  367.8907324 -595161404401129 4    401030 4      C-13-H3C(O)CH3
  247823.6623  0.0046 -4.7389 3  367.8907324 -595161404401229 4    401130 4      C-13-H3C(O)CH3
  247823.6623  0.0044 -5.6284 3  367.8908324 -595161404401229 3    401030 3      C-13-H3C(O)CH3
  247823.6623  0.0044 -5.6284 3  367.8908324 -595161404401129 3    401130 3      C-13-H3C(O)CH3
  247823.7391  0.0044 -4.7395 3  367.8908324  595161404401129 3    401030 3      C-13-H3C(O)CH3
  247823.7391  0.0044 -4.7395 3  367.8908324  595161404401229 3    401130 3      C-13-H3C(O)CH3
  247831.5672  0.0192 -5.5645 3  290.6506520  595161404322210 2    321913 2      C-13-H3C(O)CH3
  247836.5121  0.0313 -6.6600 3  318.8021276  595161404342014 4    332311 4      C-13-H3C(O)CH3
  247844.3843  0.0249 -6.2731 3  264.4036472  5951614042926 3 1    2827 2 1      C-13-H3C(O)CH3
  247849.3556  0.0157 -6.6749 3  129.6635344  5951614042117 5 2    2114 7 2      C-13-H3C(O)CH3
  247853.0602  0.0121 -6.3405 3  140.1574360  5951614042217 6 1    2214 9 1      C-13-H3C(O)CH3
  247860.6253  0.3335 -6.3326 3 1553.1972B92  595161404745025 2    744926 2      C-13-H3C(O)CH3
  247861.6281  0.9457 -6.9761 3 1553.2439596  595161404745024 3    744925 3      C-13-H3C(O)CH3
  247865.5546  0.0189 -6.8573 3  129.6716172  5951614042117 4 3    2114 7 3      C-13-H3C(O)CH3
  247867.6865  0.0066 -6.4793 3   95.9645312  5951614041911 8 1    1812 6 1      C-13-H3C(O)CH3
  247871.4825  0.0045 -5.0817 3  367.9152648 -595161404401229 2    401030 2      C-13-H3C(O)CH3
  247871.4825  0.0045 -5.0817 3  367.9152648 -595161404401129 2    401130 2      C-13-H3C(O)CH3
  247871.5111  0.0045 -4.4831 3  367.9152648  595161404401229 2    401130 2      C-13-H3C(O)CH3
  247871.5111  0.0045 -4.4831 3  367.9152648  595161404401129 2    401030 2      C-13-H3C(O)CH3
  247875.0985  0.0046 -5.1358 3  367.9161648 -595161404401229 1    401130 1      C-13-H3C(O)CH3
  247875.0985  0.0046 -5.1358 3  367.9161648 -595161404401129 1    401030 1      C-13-H3C(O)CH3
  247875.1289  0.0046 -4.4705 3  367.9161648  595161404401129 1    401130 1      C-13-H3C(O)CH3
  247875.1289  0.0046 -4.4705 3  367.9161648  595161404401229 1    401030 1      C-13-H3C(O)CH3
  247889.1051  0.0354 -7.1193 3  289.3027244  5951614043028 3 4    2929 1 4      C-13-H3C(O)CH3
  247889.4636  0.0240 -6.5751 3  264.3433236  5951614042926 4 4    2827 2 4      C-13-H3C(O)CH3
  247892.4449  0.0057 -6.6778 3  129.4289180  595161404221310 4    2114 8 4      C-13-H3C(O)CH3
  247914.9674  0.0229 -6.2720 3  264.4201472  5951614042926 3 2    2827 1 2      C-13-H3C(O)CH3
  247922.8296  0.0038 -6.1060 3  367.9406648  595161404401229 0    401130 0      C-13-H3C(O)CH3
  247922.8296  0.0038 -6.1060 3  367.9406648  595161404401129 0    401030 0      C-13-H3C(O)CH3
  247922.8296  0.0038 -4.3937 3  367.9406648  595161404401229 0    401030 0      C-13-H3C(O)CH3
  247922.8296  0.0038 -4.3937 3  367.9406648  595161404401129 0    401130 0      C-13-H3C(O)CH3
  247928.9341  0.0269 -6.7213 3  400.5956616  595161404382315 0    372612 0      C-13-H3C(O)CH3
  247943.7503  0.0327 -6.7475 3  318.7984276  595161404342014 3    332311 3      C-13-H3C(O)CH3
  247947.0163  0.3527 -6.3309 3 1553.1921B92  595161404745024 0    744925 0      C-13-H3C(O)CH3
  247953.2019  0.7111 -6.8941 3 1553.2408596  595161404745024 3    744926 3      C-13-H3C(O)CH3
  247985.6363  0.0239 -6.5736 3  264.3567236  5951614042926 3 3    2827 1 3      C-13-H3C(O)CH3
  248026.5273  0.3512 -6.3306 3 1553.1891B92  595161404745025 0    744926 0      C-13-H3C(O)CH3
  248027.3993  0.0215 -5.1466 3  919.4166952  595161404592831 0    592732 0      C-13-H3C(O)CH3
  248027.4659  0.0215 -5.1466 3  919.4166952  595161404592931 0    592832 0      C-13-H3C(O)CH3
  248038.0832  0.3480 -6.3322 3 1553.2202B92  595161404745024 2    744925 2      C-13-H3C(O)CH3
  248040.2888  0.3413 -6.3324 3 1553.2355B92  595161404745024 1    744925 1      C-13-H3C(O)CH3
  248041.7321  0.0231 -5.1465 3  919.4246952  595161404592831 1    592732 1      C-13-H3C(O)CH3
  248041.8096  0.0231 -5.1465 3  919.4246952  595161404592931 1    592832 1      C-13-H3C(O)CH3
  248044.6992  0.0284 -5.1465 3  919.4253952  595161404592831 2    592732 2      C-13-H3C(O)CH3
  248044.7731  0.0284 -5.1465 3  919.4253952  595161404592931 2    592832 2      C-13-H3C(O)CH3
  248059.0746  0.0291 -5.4474 3  919.4332476  595161404592831 3    592732 3      C-13-H3C(O)CH3
  248059.1596  0.0292 -5.4474 3  919.4332476  595161404592831 4    592732 4      C-13-H3C(O)CH3
  248059.1606  0.0291 -5.4474 3  919.4332476  595161404592931 3    592832 3      C-13-H3C(O)CH3
  248059.2450  0.0292 -5.4474 3  919.4332476  595161404592931 4    592832 4      C-13-H3C(O)CH3
  248066.4082  0.0016 -4.1095 3   90.8565164 -59516140420 614 3    19 713 3      C-13-H3C(O)CH3
  248066.4082  0.0016 -4.1095 3   90.8565164 -59516140420 614 4    19 713 4      C-13-H3C(O)CH3
  248066.4082  0.0016 -4.1095 3   90.8565164 -59516140420 714 3    19 613 3      C-13-H3C(O)CH3
  248066.4082  0.0016 -4.1095 3   90.8565164 -59516140420 714 4    19 613 4      C-13-H3C(O)CH3
  248096.1687  0.3398 -6.6321 3 1553.2650596  595161404745024 4    744925 4      C-13-H3C(O)CH3
  248139.1698  0.0017 -3.8084 3   90.8275328 -59516140420 614 1    19 713 1      C-13-H3C(O)CH3
  248139.1698  0.0017 -3.8084 3   90.8275328 -59516140420 714 1    19 613 1      C-13-H3C(O)CH3
  248140.8745  0.0017 -3.8085 3   90.8263328 -59516140420 614 2    19 713 2      C-13-H3C(O)CH3
  248140.8745  0.0017 -3.8085 3   90.8263328 -59516140420 714 2    19 613 2      C-13-H3C(O)CH3
  248156.9558  0.0299 -6.8768 3  400.5688616  595161404382315 1    372612 1      C-13-H3C(O)CH3
  248172.1854  0.0162 -6.6236 3  140.1607180  5951614042217 6 3    2214 9 3      C-13-H3C(O)CH3
  248197.0312  0.0261 -6.9146 3  507.2101696  595161404432519 1    422814 1      C-13-H3C(O)CH3
  248205.5529  0.0234 -6.5731 3  264.3354236  5951614042926 4 3    2827 2 3      C-13-H3C(O)CH3
  248213.4333  0.0016 -3.8083 3   90.7974328 -59516140420 714 0    19 613 0      C-13-H3C(O)CH3
  248213.4333  0.0016 -3.8083 3   90.7974328 -59516140420 614 0    19 713 0      C-13-H3C(O)CH3
  248240.9430  0.0245 -6.3924 3  318.8202552  595161404342014 1    332311 1      C-13-H3C(O)CH3
  248276.1549  0.0067 -6.4431 3  106.3080164  5951614042012 9 4    20 912 4      C-13-H3C(O)CH3
  248297.4034  0.0051 -6.4430 3  106.3080164  5951614042012 9 3    20 912 3      C-13-H3C(O)CH3
  248301.7252  0.0275 -6.5716 3  264.3488236  5951614042926 3 4    2827 1 4      C-13-H3C(O)CH3
  248321.9953  0.0121 -6.3499 3  140.1555360  5951614042217 6 2    2214 9 2      C-13-H3C(O)CH3
  248338.6856  0.0046 -4.6843 3  343.7942316  595161404391029 4    391030 4      C-13-H3C(O)CH3
  248338.6856  0.0046 -4.6976 3  343.7942316  595161404391129 4    39 930 4      C-13-H3C(O)CH3
  248338.8745  0.0044 -6.9397 3  343.7942316 -595161404391029 3    39 930 3      C-13-H3C(O)CH3
  248338.8745  0.0046 -5.9394 3  343.7942316 -595161404391129 4    391030 4      C-13-H3C(O)CH3
  248338.8745  0.0046 -6.2780 3  343.7942316 -595161404391029 4    39 930 4      C-13-H3C(O)CH3
  248338.8745  0.0044 -6.9397 3  343.7942316 -595161404391129 3    391030 3      C-13-H3C(O)CH3
  248338.9305  0.0044 -4.6757 3  343.7942316  595161404391129 3    39 930 3      C-13-H3C(O)CH3
  248338.9305  0.0044 -4.6757 3  343.7942316  595161404391029 3    391030 3      C-13-H3C(O)CH3
  248364.3804  0.0189 -5.9034 3  240.8076456  5951614042824 5 0    2725 2 0      C-13-H3C(O)CH3
  248364.3832  0.0189 -5.9034 3  240.8076456  5951614042824 4 0    2725 3 0      C-13-H3C(O)CH3
  248408.8057  0.0190 -5.1947 3  676.8827744  5951614044642 5 2    4641 6 2      C-13-H3C(O)CH3
  248409.7625  0.0188 -6.3686 3  162.7986392  5951614042417 8 1    2318 5 1      C-13-H3C(O)CH3
  248412.1810  0.0044 -4.5362 3  343.8152632 -595161404391029 2    39 930 2      C-13-H3C(O)CH3
  248412.1810  0.0044 -4.5362 3  343.8152632 -595161404391129 2    391030 2      C-13-H3C(O)CH3
  248412.1876  0.0044 -4.8741 3  343.8152632  595161404391129 2    39 930 2      C-13-H3C(O)CH3
  248412.1876  0.0044 -4.8741 3  343.8152632  595161404391029 2    391030 2      C-13-H3C(O)CH3
  248415.7323  0.0045 -4.3880 3  343.8161632 -595161404391129 1    391030 1      C-13-H3C(O)CH3
  248415.7323  0.0045 -5.8172 3  343.8161632 -595161404391029 1    391030 1      C-13-H3C(O)CH3
  248415.7381  0.0045 -4.3880 3  343.8161632  595161404391029 1    39 930 1      C-13-H3C(O)CH3
  248415.7381  0.0045 -5.8172 3  343.8161632  595161404391129 1    39 930 1      C-13-H3C(O)CH3
  248419.7740  0.6177 -6.8660 3 1843.6813D04  595161404815328 0    815229 0      C-13-H3C(O)CH3
  248448.9956  0.0159 -6.7486 3  140.1607180  5951614042217 5 3    2214 9 3      C-13-H3C(O)CH3
  248449.5846  0.0050 -6.1381 3  106.2871328  5951614042012 9 2    20 912 2      C-13-H3C(O)CH3
  248484.1638  0.0050 -6.1391 3  106.2891328  5951614042012 9 1    20 912 1      C-13-H3C(O)CH3
  248488.8280  0.0039 -5.4217 3  343.8371632 -595161404391129 0    391030 0      C-13-H3C(O)CH3
  248488.8280  0.0039 -5.4217 3  343.8371632 -595161404391029 0    39 930 0      C-13-H3C(O)CH3
  248488.8781  0.0039 -4.4123 3  343.8371632  595161404391029 0    391030 0      C-13-H3C(O)CH3
  248488.8781  0.0039 -4.4123 3  343.8371632  595161404391129 0    39 930 0      C-13-H3C(O)CH3
  248495.9169  0.0067 -4.7338 3  663.1572824  595161404512130 0    512031 0      C-13-H3C(O)CH3
  248495.9170  0.0067 -4.7338 3  663.1572824  595161404512230 0    512131 0      C-13-H3C(O)CH3
  248496.6760  0.0257 -5.4953 3  676.8726372  5951614044642 5 4    4641 6 4      C-13-H3C(O)CH3
  248528.7657  0.0210 -6.8772 3  507.2173696  595161404432519 0    422814 0      C-13-H3C(O)CH3
  248533.9122  0.0188 -6.1605 3  162.8052392  5951614042417 8 2    2318 5 2      C-13-H3C(O)CH3
  248533.9669  0.0170 -5.1946 3  676.8938744  5951614044642 5 0    4641 5 0      C-13-H3C(O)CH3
  248533.9669  0.0170 -5.1946 3  676.8938744  5951614044642 4 0    4641 6 0      C-13-H3C(O)CH3
  248542.8503  0.0184 -5.9035 3  240.7381456  5951614042824 5 1    2725 3 1      C-13-H3C(O)CH3
  248547.6563  0.0094 -4.7335 3  663.1426824  595161404512130 2    512031 2      C-13-H3C(O)CH3
  248547.6564  0.0094 -4.7335 3  663.1426824  595161404512230 2    512131 2      C-13-H3C(O)CH3
  248548.4356  0.0075 -4.7334 3  663.1433824  595161404512130 1    512031 1      C-13-H3C(O)CH3
  248548.4357  0.0075 -4.7334 3  663.1433824  595161404512230 1    512131 1      C-13-H3C(O)CH3
  248564.2344  0.6893 -6.9293 3 1843.6811D04  595161404815328 2    815229 2      C-13-H3C(O)CH3
  248600.2577  0.0095 -5.0342 3  663.1286412  595161404512130 3    512031 3      C-13-H3C(O)CH3
  248600.2578  0.0095 -5.0342 3  663.1286412  595161404512230 3    512131 3      C-13-H3C(O)CH3
  248600.3609  0.0096 -5.0342 3  663.1286412  595161404512130 4    512031 4      C-13-H3C(O)CH3
  248600.3611  0.0096 -5.0342 3  663.1286412  595161404512230 4    512131 4      C-13-H3C(O)CH3
  248605.2852  0.0234 -5.4953 3  676.9164372  5951614044642 4 3    4641 5 3      C-13-H3C(O)CH3
  248614.0301  0.0186 -5.1944 3  676.9087744  5951614044642 4 2    4641 5 2      C-13-H3C(O)CH3
  248621.6582  0.7765 -6.9932 3 1843.7039D04  595161404815328 1    815229 1      C-13-H3C(O)CH3
  248622.2219  0.0196 -5.1942 3  676.8837744  5951614044642 5 1    4641 6 1      C-13-H3C(O)CH3
  248646.5263  0.0050 -6.1351 3  106.2682328  5951614042012 9 0    20 912 0      C-13-H3C(O)CH3
  248657.4944  0.0169 -7.0960 3   97.8844148  5951614041816 3 4    1813 6 4      C-13-H3C(O)CH3
  248701.3964  0.0241 -5.4950 3  676.8986372  5951614044642 5 3    4641 6 3      C-13-H3C(O)CH3
  248704.5881  0.0059 -4.3674 3   84.8715296 -5951614041810 8 0    1711 7 0      C-13-H3C(O)CH3
  248721.4630  0.0126 -6.7650 3   46.7903216  5951614041311 2 2    1210 3 2      C-13-H3C(O)CH3
  248731.5738  0.0180 -5.1942 3  676.9275744  5951614044642 4 1    4641 5 1      C-13-H3C(O)CH3
  248734.4050  0.0176 -5.9011 3  240.7682456  5951614042824 4 2    2725 2 2      C-13-H3C(O)CH3
  248756.9497  0.0056 -4.1421 3   51.4578232 -5951614041410 5 1    13 9 4 1      C-13-H3C(O)CH3
  248760.5856  0.0067 -4.3662 3   84.8937296 -5951614041810 8 2    1711 7 2      C-13-H3C(O)CH3
  248766.5432  0.0188 -5.9018 3  240.7495456  5951614042824 4 1    2725 2 1      C-13-H3C(O)CH3
  248771.6498  0.0189 -5.9019 3  240.7417456  5951614042824 5 2    2725 3 2      C-13-H3C(O)CH3
  248789.9077  0.3833 -7.1304 3 1838.6666660  595161404824736 3    824637 3      C-13-H3C(O)CH3
  248789.9294  0.3843 -7.1304 3 1838.6666660  595161404824736 4    824637 4      C-13-H3C(O)CH3
  248798.7505  0.3893 -6.8293 3 1838.6667D20  595161404824736 1    824637 1      C-13-H3C(O)CH3
  248805.4825  0.3854 -6.8293 3 1838.6708D20  595161404824736 2    824637 2      C-13-H3C(O)CH3
  248811.7346  0.0252 -5.4950 3  676.9422372  5951614044642 4 4    4641 5 4      C-13-H3C(O)CH3
  248812.6682  0.0049 -4.6752 3  320.2864308  59516140438 929 4    38 930 4      C-13-H3C(O)CH3
  248812.6682  0.0049 -4.7776 3  320.2864308  595161404381029 4    38 830 4      C-13-H3C(O)CH3
  248812.7479  0.0045 -4.6698 3  320.2864308 -595161404381029 3    38 830 3      C-13-H3C(O)CH3
  248812.7479  0.0049 -5.5961 3  320.2864308 -595161404381029 4    38 930 4      C-13-H3C(O)CH3
  248812.7479  0.0045 -4.6688 3  320.2864308 -59516140438 929 3    38 930 3      C-13-H3C(O)CH3
  248812.9304  0.0045 -6.7989 3  320.2864308  595161404381029 3    38 930 3      C-13-H3C(O)CH3
  248812.9304  0.0045 -6.6740 3  320.2864308  59516140438 929 3    38 830 3      C-13-H3C(O)CH3
  248813.9650  0.3902 -6.8292 3 1838.6709D20  595161404824736 0    824637 0      C-13-H3C(O)CH3
  248879.3237  0.1879 -6.4669 3 1487.9104596  595161404744034 4    743935 4      C-13-H3C(O)CH3
  248879.3645  0.1880 -6.4669 3 1487.9104596  595161404744034 3    743935 3      C-13-H3C(O)CH3
  248895.6552  0.0121 -6.8391 3   46.7823216  5951614041311 2 1    1210 3 1      C-13-H3C(O)CH3
  248899.6581  0.0265 -5.5031 3  800.6118412  5951614045143 9 4    514210 4      C-13-H3C(O)CH3
  248909.2945  0.0198 -5.2022 3  800.6003824  5951614045143 9 2    514210 2      C-13-H3C(O)CH3
  248909.3218  0.0191 -6.2022 3  240.6988228  5951614042824 4 3    2725 2 3      C-13-H3C(O)CH3
  248913.4798  0.0039 -4.3616 3   51.4944116 -5951614041410 5 3    13 9 4 3      C-13-H3C(O)CH3
  248913.8071  0.1739 -6.1657 3 1487.8980B92  595161404744034 1    743935 1      C-13-H3C(O)CH3
  248914.9252  0.0043 -4.3664 3  320.3028616 -59516140438 929 2    38 930 2      C-13-H3C(O)CH3
  248914.9252  0.0043 -6.6351 3  320.3028616 -595161404381029 2    38 930 2      C-13-H3C(O)CH3
  248915.0280  0.0043 -6.6351 3  320.3028616  59516140438 929 2    38 830 2      C-13-H3C(O)CH3
  248915.0280  0.0043 -4.3664 3  320.3028616  595161404381029 2    38 830 2      C-13-H3C(O)CH3
  248917.4702  0.3069 -6.7884 3 1658.9024628  595161404784335 4    784236 4      C-13-H3C(O)CH3
  248917.5043  0.3072 -6.7884 3 1658.9024628  595161404784335 3    784236 3      C-13-H3C(O)CH3
  248918.4465  0.0044 -6.5443 3  320.3036616  595161404381029 1    38 830 1      C-13-H3C(O)CH3
  248918.4465  0.0044 -6.5443 3  320.3036616  59516140438 929 1    38 930 1      C-13-H3C(O)CH3
  248918.4465  0.0044 -4.3670 3  320.3036616  59516140438 929 1    38 830 1      C-13-H3C(O)CH3
  248918.4841  0.0044 -4.3670 3  320.3036616 -595161404381029 1    38 930 1      C-13-H3C(O)CH3
  248933.5248  0.0060 -4.1229 3   51.4553232 -5951614041410 5 2    13 9 4 2      C-13-H3C(O)CH3
  248934.5709  0.1893 -6.1657 3 1487.9020B92  595161404744034 2    743935 2      C-13-H3C(O)CH3
  248934.7948  0.9088 -6.9918 3 1843.6707D04  595161404815329 1    815230 1      C-13-H3C(O)CH3
  248940.7838  0.2725 -6.4872 3 1658.8961C56  595161404784335 1    784236 1      C-13-H3C(O)CH3
  248941.6809  0.0066 -4.6620 3   84.9190148 -5951614041810 8 3    1711 7 3      C-13-H3C(O)CH3
  248943.1693  0.0261 -5.5031 3  800.6119412  5951614045143 9 3    514210 3      C-13-H3C(O)CH3
  248946.7660  0.0195 -6.2030 3  240.6724228  5951614042824 5 4    2725 3 4      C-13-H3C(O)CH3
  248953.5914  0.0201 -5.2022 3  800.6004824  5951614045143 8 2    5142 9 2      C-13-H3C(O)CH3
  248957.6954  0.0247 -5.5032 3  800.6284412  5951614045143 8 3    5142 9 3      C-13-H3C(O)CH3
  248967.3457  0.0064 -4.3636 3   84.8945296 -5951614041810 8 1    1711 7 1      C-13-H3C(O)CH3
  248968.8940  0.1745 -6.1655 3 1487.8897B92  595161404744034 0    743935 0      C-13-H3C(O)CH3
  248980.7455  0.3106 -6.4871 3 1658.9006C56  595161404784335 2    784236 2      C-13-H3C(O)CH3
  249001.8975  0.0259 -5.5032 3  800.6283412  5951614045143 8 4    5142 9 4      C-13-H3C(O)CH3
  249002.7521  0.7439 -6.9277 3 1843.6420D04  595161404815329 2    815230 2      C-13-H3C(O)CH3
  249003.9840  0.2735 -6.4870 3 1658.8942C56  595161404784335 0    784236 0      C-13-H3C(O)CH3
  249015.9449  0.0520 -5.7594 3 1028.0557476  595161404594515 4    594416 4      C-13-H3C(O)CH3
  249016.7294  0.1787 -6.4664 3 1487.9111596  595161404744134 4    744035 4      C-13-H3C(O)CH3
  249016.8252  0.1785 -6.4664 3 1487.9111596  595161404744134 3    744035 3      C-13-H3C(O)CH3
  249020.3602  0.0040 -4.9000 3  320.3200616 -59516140438 929 0    38 830 0      C-13-H3C(O)CH3
  249020.3602  0.0040 -4.9000 3  320.3200616 -595161404381029 0    38 930 0      C-13-H3C(O)CH3
  249020.3720  0.0040 -4.5129 3  320.3200616  59516140438 929 0    38 930 0      C-13-H3C(O)CH3
  249020.3720  0.0040 -4.5129 3  320.3200616  595161404381029 0    38 830 0      C-13-H3C(O)CH3
  249034.8377  0.0017 -4.0433 3   95.0732172 -59516140421 516 3    20 615 3      C-13-H3C(O)CH3
  249034.8377  0.0017 -4.0433 3   95.0732172 -59516140421 516 4    20 615 4      C-13-H3C(O)CH3
  249034.8377  0.0017 -4.0433 3   95.0732172 -59516140421 616 3    20 515 3      C-13-H3C(O)CH3
  249034.8377  0.0017 -4.0433 3   95.0732172 -59516140421 616 4    20 515 4      C-13-H3C(O)CH3
  249038.0121  0.0208 -5.2019 3  800.5901824  5951614045143 9 1    514210 1      C-13-H3C(O)CH3
  249047.4532  0.0177 -5.2020 3  800.5786824  5951614045143 9 0    514210 0      C-13-H3C(O)CH3
  249047.4532  0.0177 -5.2020 3  800.5786824  5951614045143 8 0    5142 9 0      C-13-H3C(O)CH3
  249049.4889  0.1736 -6.1653 3 1487.8987B92  595161404744134 1    744035 1      C-13-H3C(O)CH3
  249062.7414  0.1797 -6.1652 3 1487.9027B92  595161404744134 2    744035 2      C-13-H3C(O)CH3
  249095.3641  0.1742 -6.1651 3 1487.8904B92  595161404744134 0    744035 0      C-13-H3C(O)CH3
  249096.6867  0.0199 -5.2019 3  800.6066824  5951614045143 8 1    5142 9 1      C-13-H3C(O)CH3
  249097.8433  0.0018 -3.7421 3   95.0417344 -59516140421 516 1    20 615 1      C-13-H3C(O)CH3
  249097.8433  0.0018 -3.7421 3   95.0417344 -59516140421 616 1    20 515 1      C-13-H3C(O)CH3
  249098.8368  0.0018 -3.7422 3   95.0408344 -59516140421 516 2    20 615 2      C-13-H3C(O)CH3
  249098.8368  0.0018 -3.7422 3   95.0408344 -59516140421 616 2    20 515 2      C-13-H3C(O)CH3
  249101.0887  0.0487 -5.7591 3 1028.0716476  595161404594515 3    594416 3      C-13-H3C(O)CH3
  249107.8442  0.0079 -4.6648 3   84.9146148 -5951614041810 8 4    1711 7 4      C-13-H3C(O)CH3
  249133.2562  0.0217 -6.2005 3  240.7101228  5951614042824 4 4    2725 2 4      C-13-H3C(O)CH3
  249160.2979  0.0055 -6.9947 3   70.4441264  5951614041612 4 0    16 7 9 0      C-13-H3C(O)CH3
  249161.6929  0.0017 -3.7420 3   95.0093344 -59516140421 616 0    20 515 0      C-13-H3C(O)CH3
  249161.6929  0.0017 -3.7420 3   95.0093344 -59516140421 516 0    20 615 0      C-13-H3C(O)CH3
  249169.8171  0.0184 -6.2013 3  240.6837228  5951614042824 5 3    2725 3 3      C-13-H3C(O)CH3
  249181.4456  0.0422 -5.4579 3 1028.0302952  595161404594515 2    594416 2      C-13-H3C(O)CH3
  249184.3682  0.0465 -5.7590 3 1028.0761476  595161404594514 3    594415 3      C-13-H3C(O)CH3
  249225.3272  0.0142 -6.8480 3  526.3922364  595161404452025 4    442322 4      C-13-H3C(O)CH3
  249225.4115  0.0141 -6.8480 3  526.3923364  595161404452025 3    442322 3      C-13-H3C(O)CH3
  249229.5378  0.5928 -6.8632 3 1843.6493D04  595161404815329 0    815230 0      C-13-H3C(O)CH3
  249230.3695  0.0125 -6.5481 3  526.4150728  595161404452025 1    442322 1      C-13-H3C(O)CH3
  249230.6018  0.0196 -7.1060 3   98.0131148  5951614041816 2 4    1813 5 4      C-13-H3C(O)CH3
  249239.5083  0.0158 -6.5021 3  129.6679344  5951614042117 4 1    2114 7 1      C-13-H3C(O)CH3
  249247.7864  0.0053 -5.4528 3  297.3685300  59516140437 829 4    37 730 4      C-13-H3C(O)CH3
  249247.7864  0.0053 -4.7414 3  297.3685300  59516140437 829 4    37 830 4      C-13-H3C(O)CH3
  249247.7864  0.0053 -5.4528 3  297.3685300  59516140437 929 4    37 830 4      C-13-H3C(O)CH3
  249247.7864  0.0053 -4.7414 3  297.3685300  59516140437 929 4    37 730 4      C-13-H3C(O)CH3
  249248.0507  0.0048 -6.6418 3  297.3685300  59516140437 929 3    37 830 3      C-13-H3C(O)CH3
  249248.0507  0.0048 -4.6689 3  297.3685300  59516140437 929 3    37 730 3      C-13-H3C(O)CH3
  249248.0507  0.0048 -6.6418 3  297.3685300  59516140437 829 3    37 730 3      C-13-H3C(O)CH3
  249248.0507  0.0048 -4.6689 3  297.3685300  59516140437 829 3    37 830 3      C-13-H3C(O)CH3
  249248.6775  0.0380 -5.4577 3 1028.0247952  595161404594515 1    594416 1      C-13-H3C(O)CH3
  249261.2318  0.0143 -6.8479 3  526.3910364  595161404452125 4    442222 4      C-13-H3C(O)CH3
  249261.4191  0.0142 -6.8479 3  526.3911364  595161404452125 3    442222 3      C-13-H3C(O)CH3
  249264.2454  0.0124 -6.5479 3  526.4139728  595161404452125 1    442222 1      C-13-H3C(O)CH3
  249265.1158  0.0138 -6.5461 3  526.4120728  595161404452025 2    442322 2      C-13-H3C(O)CH3
  249268.9955  0.0452 -5.7587 3 1028.0921476  595161404594514 4    594415 4      C-13-H3C(O)CH3
  249269.8867  0.0105 -6.5473 3  526.4347728  595161404452025 0    442322 0      C-13-H3C(O)CH3
  249299.8678  0.0138 -6.5460 3  526.4108728  595161404452125 2    442222 2      C-13-H3C(O)CH3
  249302.4180  0.0075 -5.7880 3  257.8062504  595161404311615 2    301912 2      C-13-H3C(O)CH3
  249302.5931  0.0105 -6.5471 3  526.4336728  595161404452125 0    442222 0      C-13-H3C(O)CH3
  249306.6311  0.0076 -6.0913 3  257.7891252  595161404311615 3    301912 3      C-13-H3C(O)CH3
  249315.2235  0.0070 -6.0912 3  257.7889252  595161404311615 4    301912 4      C-13-H3C(O)CH3
  249333.3779  0.0389 -5.4575 3 1028.0406952  595161404594514 1    594415 1      C-13-H3C(O)CH3
  249349.2089  0.0402 -5.4575 3 1028.0506952  595161404594514 2    594415 2      C-13-H3C(O)CH3
  249349.5052  0.0130 -6.2898 3  129.6556344  5951614042117 4 0    2114 7 0      C-13-H3C(O)CH3
  249352.2032  0.0081 -5.1169 3  162.7978392  5951614042417 8 0    2318 5 0      C-13-H3C(O)CH3
  249360.8230  0.0215 -6.7557 3  129.6799172  5951614042117 4 4    2114 7 4      C-13-H3C(O)CH3
  249382.3605  0.0043 -5.2668 3  297.3791600 -59516140437 829 2    37 730 2      C-13-H3C(O)CH3
  249382.3605  0.0043 -5.2668 3  297.3791600 -59516140437 929 2    37 830 2      C-13-H3C(O)CH3
  249382.3994  0.0043 -4.4204 3  297.3791600  59516140437 929 2    37 730 2      C-13-H3C(O)CH3
  249382.3994  0.0043 -4.4204 3  297.3791600  59516140437 829 2    37 830 2      C-13-H3C(O)CH3
  249385.6203  0.0044 -4.4736 3  297.3799600  59516140437 929 1    37 730 1      C-13-H3C(O)CH3
  249385.6203  0.0044 -4.4736 3  297.3799600  59516140437 829 1    37 830 1      C-13-H3C(O)CH3
  249385.6812  0.0044 -5.0097 3  297.3799600 -59516140437 829 1    37 730 1      C-13-H3C(O)CH3
  249385.6812  0.0044 -5.0097 3  297.3799600 -59516140437 929 1    37 830 1      C-13-H3C(O)CH3
  249405.8766  0.0074 -5.7869 3  257.8257504  595161404311615 0    301912 0      C-13-H3C(O)CH3
  249405.9004  0.6210 -7.0948 3 1977.0394D68  595161404854837 1    854738 1      C-13-H3C(O)CH3
  249407.9741  0.2682 -6.7867 3 1658.9053628  595161404784435 4    784336 4      C-13-H3C(O)CH3
  249408.0579  0.2677 -6.7867 3 1658.9053628  595161404784435 3    784336 3      C-13-H3C(O)CH3
  249410.8963  0.0075 -5.7892 3  257.8086504  595161404311615 1    301912 1      C-13-H3C(O)CH3
  249413.4200  0.0385 -5.4572 3 1027.9992952  595161404594514 0    594415 0      C-13-H3C(O)CH3
  249413.4240  0.0385 -5.4572 3 1027.9992952  595161404594515 0    594416 0      C-13-H3C(O)CH3
  249431.4128  0.2640 -6.4856 3 1658.8990C56  595161404784435 1    784336 1      C-13-H3C(O)CH3
  249445.5227  0.2692 -6.4856 3 1658.9033C56  595161404784435 2    784336 2      C-13-H3C(O)CH3
  249449.5856  0.0120 -5.9418 3  208.0575228  595161404281514 4    271611 4      C-13-H3C(O)CH3
  249456.0963  0.0098 -5.9420 3  208.0572228  595161404281514 3    271611 3      C-13-H3C(O)CH3
  249467.2147  0.2253 -6.4261 3 1438.8624572  595161404714923 4    714824 4      C-13-H3C(O)CH3
  249468.7548  0.2646 -6.4855 3 1658.8969C56  595161404784435 0    784336 0      C-13-H3C(O)CH3
  249485.8994  0.6279 -7.0945 3 1977.0482D68  595161404854837 0    854738 0      C-13-H3C(O)CH3
  249486.6349  0.0031 -4.0540 3   51.4118232 -5951614041410 5 0    13 9 4 0      C-13-H3C(O)CH3
  249489.3031  0.0093 -6.0796 3  140.1533360  5951614042217 6 0    2214 9 0      C-13-H3C(O)CH3
  249519.7236  0.0040 -5.8147 3  297.3904600 -59516140437 929 0    37 730 0      C-13-H3C(O)CH3
  249519.7236  0.0040 -4.3776 3  297.3904600 -59516140437 829 0    37 730 0      C-13-H3C(O)CH3
  249519.7315  0.0040 -4.3776 3  297.3904600  59516140437 929 0    37 830 0      C-13-H3C(O)CH3
  249519.7315  0.0040 -5.8147 3  297.3904600  59516140437 829 0    37 830 0      C-13-H3C(O)CH3
  249521.7402  0.7724 -7.0945 3 1977.0441D68  595161404854837 2    854738 2      C-13-H3C(O)CH3
  249526.1249  0.0201 -5.5004 3  327.1007552  595161404342311 1    342014 1      C-13-H3C(O)CH3
  249535.5904  0.0086 -5.6403 3  208.0697456  595161404281514 1    271611 1      C-13-H3C(O)CH3
  249545.1450  0.0062 -4.6869 3  632.6487808  595161404502030 0    501931 0      C-13-H3C(O)CH3
  249545.1451  0.0062 -4.6869 3  632.6487808  595161404502130 0    502031 0      C-13-H3C(O)CH3
  249563.4091  0.0219 -5.2403 3  655.2732728  5951614044542 4 2    4541 5 2      C-13-H3C(O)CH3
  249568.2295  0.0353 -5.6075 3  910.2772444  595161404554412 4    554313 4      C-13-H3C(O)CH3
  249572.5219  0.0332 -5.6074 3  910.2793444  595161404554412 3    554313 3      C-13-H3C(O)CH3
  249581.6326  0.0150 -6.8221 3   97.9749296  5951614041816 2 1    1813 5 1      C-13-H3C(O)CH3
  249592.5019  0.0153 -6.5224 3  129.6635344  5951614042117 4 2    2114 7 2      C-13-H3C(O)CH3
  249597.4280  0.0083 -4.6865 3  632.6308808  595161404502030 2    501931 2      C-13-H3C(O)CH3
  249597.4281  0.0083 -4.6865 3  632.6308808  595161404502130 2    502031 2      C-13-H3C(O)CH3
  249598.5971  0.0069 -4.6865 3  632.6316808  595161404502030 1    501931 1      C-13-H3C(O)CH3
  249598.5972  0.0069 -4.6865 3  632.6316808  595161404502130 1    502031 1      C-13-H3C(O)CH3
  249632.3809  0.0268 -5.3063 3  910.2514888  595161404554412 2    554313 2      C-13-H3C(O)CH3
  249634.4639  0.0143 -6.8165 3   97.8980296  5951614041816 3 1    1813 6 1      C-13-H3C(O)CH3
  249634.7146  0.0178 -5.0838 3  884.3252936  595161404582731 0    582632 0      C-13-H3C(O)CH3
  249634.7370  0.0178 -5.0838 3  884.3252936  595161404582831 0    582732 0      C-13-H3C(O)CH3
  249638.2058  0.2579 -6.1246 3 1438.8475B44  595161404714923 1    714824 1      C-13-H3C(O)CH3
  249639.4438  0.0339 -5.6074 3  910.2905444  595161404554411 3    554312 3      C-13-H3C(O)CH3
  249643.7106  0.0336 -5.6072 3  910.2925444  595161404554411 4    554312 4      C-13-H3C(O)CH3
  249646.2330  0.0059 -4.7425 3  275.0418292  59516140436 729 4    36 630 4      C-13-H3C(O)CH3
  249646.2330  0.0059 -5.4893 3  275.0418292  59516140436 729 4    36 730 4      C-13-H3C(O)CH3
  249646.2330  0.0059 -5.4893 3  275.0418292  59516140436 829 4    36 630 4      C-13-H3C(O)CH3
  249646.2330  0.0059 -4.7425 3  275.0418292  59516140436 829 4    36 730 4      C-13-H3C(O)CH3
  249646.4793  0.0053 -4.9751 3  275.0418292  59516140436 829 3    36 730 3      C-13-H3C(O)CH3
  249646.4793  0.0053 -4.9688 3  275.0418292  59516140436 829 3    36 630 3      C-13-H3C(O)CH3
  249646.4793  0.0053 -4.9688 3  275.0418292  59516140436 729 3    36 730 3      C-13-H3C(O)CH3
  249646.4793  0.0053 -4.9751 3  275.0418292  59516140436 729 3    36 630 3      C-13-H3C(O)CH3
  249648.8546  0.0037 -5.3067 3   26.3260 92  59516140411 5 6 3    10 4 7 3      C-13-H3C(O)CH3
  249650.9633  0.0084 -4.9873 3  632.6137404  595161404502030 3    501931 3      C-13-H3C(O)CH3
  249650.9634  0.0084 -4.9873 3  632.6137404  595161404502130 3    502031 3      C-13-H3C(O)CH3
  249651.0532  0.0084 -4.9873 3  632.6136404  595161404502030 4    501931 4      C-13-H3C(O)CH3
  249651.0532  0.0084 -4.9873 3  632.6136404  595161404502130 4    502031 4      C-13-H3C(O)CH3
  249656.7637  0.0194 -5.0836 3  884.3309936  595161404582731 1    582632 1      C-13-H3C(O)CH3
  249656.7901  0.0194 -5.0836 3  884.3309936  595161404582831 1    582732 1      C-13-H3C(O)CH3
  249659.2581  0.0244 -5.0836 3  884.3313936  595161404582731 2    582632 2      C-13-H3C(O)CH3
  249659.2833  0.0244 -5.0836 3  884.3313936  595161404582831 2    582732 2      C-13-H3C(O)CH3
  249659.9022  0.0050 -5.3066 3   26.3260 92  59516140411 5 6 4    10 4 7 4      C-13-H3C(O)CH3
  249670.1866  0.0135 -6.4223 3  140.1574360  5951614042217 5 1    2214 9 1      C-13-H3C(O)CH3
  249671.8244  0.0189 -5.2403 3  655.2923728  5951614044542 4 0    4541 5 0      C-13-H3C(O)CH3
  249671.8244  0.0189 -5.2403 3  655.2923728  5951614044542 3 0    4541 4 0      C-13-H3C(O)CH3
  249681.3594  0.0250 -5.3845 3  884.3370468  595161404582731 3    582632 3      C-13-H3C(O)CH3
  249681.3891  0.0250 -5.3845 3  884.3370468  595161404582831 3    582732 3      C-13-H3C(O)CH3
  249681.4566  0.0251 -5.3845 3  884.3370468  595161404582731 4    582632 4      C-13-H3C(O)CH3
  249681.4860  0.0251 -5.3845 3  884.3370468  595161404582831 4    582732 4      C-13-H3C(O)CH3
  249683.5814  0.0292 -5.5409 3  655.2596364  5951614044542 4 4    4541 5 4      C-13-H3C(O)CH3
  249686.9090  0.2165 -6.4281 3 1438.8868572  595161404714923 3    714824 3      C-13-H3C(O)CH3
  249703.0244  0.0263 -5.3061 3  910.2646888  595161404554411 2    554312 2      C-13-H3C(O)CH3
  249741.5027  0.0202 -5.9527 3  162.7578196  5951614042417 8 3    2318 5 3      C-13-H3C(O)CH3
  249746.5135  0.0096 -5.7281 3  199.7240440  595161404271611 2    271314 2      C-13-H3C(O)CH3
  249753.0533  0.0266 -5.3061 3  910.2500888  595161404554412 1    554313 1      C-13-H3C(O)CH3
  249757.0119  0.0247 -5.3060 3  910.2520888  595161404554411 1    554312 1      C-13-H3C(O)CH3
  249771.6567  0.1952 -6.4279 3 1438.8901572  595161404714922 3    714823 3      C-13-H3C(O)CH3
  249771.8245  0.0090 -5.7270 3  199.7357440  595161404271611 0    271314 0      C-13-H3C(O)CH3
  249773.5583  0.2345 -6.1243 3 1438.8396B44  595161404714923 2    714824 2      C-13-H3C(O)CH3
  249792.4285  0.0224 -5.2398 3  655.2788728  5951614044542 4 1    4541 5 1      C-13-H3C(O)CH3
  249793.9923  0.0278 -5.5409 3  655.3098364  5951614044542 3 3    4541 4 3      C-13-H3C(O)CH3
  249795.5581  0.0138 -6.8281 3   97.9055296  5951614041816 3 2    1813 6 2      C-13-H3C(O)CH3
  249806.3983  0.0218 -5.2399 3  655.3070728  5951614044542 3 2    4541 4 2      C-13-H3C(O)CH3
  249807.5725  0.0181 -5.5003 3  327.1154552  595161404342311 0    342014 0      C-13-H3C(O)CH3
  249813.0981  0.0265 -7.1165 3  774.0981888  595161404552332 1    542629 1      C-13-H3C(O)CH3
  249813.1518  0.0265 -7.1165 3  774.0981888  595161404552432 1    542529 1      C-13-H3C(O)CH3
  249816.1932  0.0228 -5.3058 3  910.2241888  595161404554412 0    554313 0      C-13-H3C(O)CH3
  249816.1932  0.0228 -5.3058 3  910.2241888  595161404554411 0    554312 0      C-13-H3C(O)CH3
  249816.4992  0.0044 -6.7964 3  275.0452584 -59516140436 829 2    36 630 2      C-13-H3C(O)CH3
  249816.4992  0.0044 -6.7964 3  275.0452584 -59516140436 729 2    36 730 2      C-13-H3C(O)CH3
  249816.5171  0.0044 -4.3707 3  275.0452584  59516140436 829 2    36 730 2      C-13-H3C(O)CH3
  249816.5171  0.0044 -4.3707 3  275.0452584  59516140436 729 2    36 630 2      C-13-H3C(O)CH3
  249816.8315  0.0301 -7.1155 3  774.0978888  595161404552332 2    542629 2      C-13-H3C(O)CH3
  249816.8843  0.0301 -7.1155 3  774.0978888  595161404552432 2    542529 2      C-13-H3C(O)CH3
  249819.4752  0.0046 -4.9855 3  275.0459584  59516140436 729 1    36 730 1      C-13-H3C(O)CH3
  249819.4752  0.0046 -4.9855 3  275.0459584  59516140436 829 1    36 630 1      C-13-H3C(O)CH3
  249819.5201  0.0046 -4.4894 3  275.0459584 -59516140436 729 1    36 630 1      C-13-H3C(O)CH3
  249819.5201  0.0046 -4.4894 3  275.0459584 -59516140436 829 1    36 730 1      C-13-H3C(O)CH3
  249821.9870  0.0045 -5.0044 3   26.2649184  59516140411 5 6 2    10 4 7 2      C-13-H3C(O)CH3
  249840.0167  0.0218 -7.1170 3  774.1000888  595161404552332 0    542629 0      C-13-H3C(O)CH3
  249840.0635  0.0218 -7.1170 3  774.1000888  595161404552432 0    542529 0      C-13-H3C(O)CH3
  249848.2356  0.0083 -5.6343 3  208.0547456  595161404281514 2    271611 2      C-13-H3C(O)CH3
  249858.2874  0.0044 -5.0045 3   26.2657184  59516140411 5 6 1    10 4 7 1      C-13-H3C(O)CH3
  249865.2995  0.0133 -6.4158 3  140.1555360  5951614042217 5 2    2214 9 2      C-13-H3C(O)CH3
  249875.6321  0.0108 -5.9280 3  288.2655536  595161404331717 1    321814 1      C-13-H3C(O)CH3
  249878.6254  0.0081 -5.1554 3  162.8052392  5951614042417 7 2    2318 5 2      C-13-H3C(O)CH3
  249900.1161  0.0272 -5.8052 3  327.0690276  595161404342311 4    342014 4      C-13-H3C(O)CH3
  249903.4807  0.0212 -5.2398 3  655.3290728  5951614044542 3 1    4541 4 1      C-13-H3C(O)CH3
  249908.0546  0.0119 -6.2283 3  288.2389268  595161404331717 4    321814 4      C-13-H3C(O)CH3
  249917.2299  0.0131 -6.2283 3  288.2386268  595161404331717 3    321814 3      C-13-H3C(O)CH3
  249924.2103  0.0147 -5.6110 3  218.4612440  5951614042722 6 0    2623 3 0      C-13-H3C(O)CH3
  249924.4234  0.0147 -5.6110 3  218.4612440  5951614042722 5 0    2623 4 0      C-13-H3C(O)CH3
  249926.3303  0.0282 -5.5405 3  655.2933364  5951614044542 4 3    4541 5 3      C-13-H3C(O)CH3
  249926.3990  0.0079 -5.6339 3  208.0672456  595161404281514 0    271611 0      C-13-H3C(O)CH3
  249937.4528  0.2593 -6.1237 3 1438.8251B44  595161404714922 0    714823 0      C-13-H3C(O)CH3
  249943.0211  0.2469 -6.1239 3 1438.8752B44  595161404714922 1    714823 1      C-13-H3C(O)CH3
  249946.0274  0.0270 -5.8170 3  327.0689276  595161404342311 3    342014 3      C-13-H3C(O)CH3
  249948.7719  0.0141 -6.8334 3   97.9730296  5951614041816 2 2    1813 5 2      C-13-H3C(O)CH3
  249949.1302  0.0552 -5.7474 3 1094.9205516  595161404643232 3    643133 3      C-13-H3C(O)CH3
  249949.1566  0.0552 -5.7474 3 1094.9205516  595161404643232 4    643133 4      C-13-H3C(O)CH3
  249950.4049  0.0551 -5.7474 3 1094.9205516  595161404643332 3    643233 3      C-13-H3C(O)CH3
  249950.4270  0.0552 -5.7474 3 1094.9205516  595161404643332 4    643233 4      C-13-H3C(O)CH3
  249952.0178  0.2590 -6.1237 3 1438.8245B44  595161404714923 0    714824 0      C-13-H3C(O)CH3
  249959.3888  0.0485 -5.4464 3 1094.9041A32  595161404643232 1    643133 1      C-13-H3C(O)CH3
  249960.5805  0.0485 -5.4464 3 1094.9041A32  595161404643332 1    643233 1      C-13-H3C(O)CH3
  249965.0784  0.0543 -5.4464 3 1094.9059A32  595161404643232 2    643133 2      C-13-H3C(O)CH3
  249966.2031  0.0542 -5.4464 3 1094.9060A32  595161404643332 2    643233 2      C-13-H3C(O)CH3
  249973.6214  0.0143 -6.7917 3   97.9457296  5951614041816 2 0    1813 5 0      C-13-H3C(O)CH3
  249975.3368  0.0476 -5.4464 3 1094.8896A32  595161404643232 0    643133 0      C-13-H3C(O)CH3
  249976.3876  0.0476 -5.4464 3 1094.8896A32  595161404643332 0    643233 0      C-13-H3C(O)CH3
  249982.1535  0.0112 -5.5639 3  162.7497196  5951614042417 8 3    2318 6 3      C-13-H3C(O)CH3
  249984.3017  0.0081 -5.1553 3  162.7568392  5951614042417 8 2    2318 6 2      C-13-H3C(O)CH3
  249989.1981  0.0042 -4.4441 3  275.0493584  59516140436 729 0    36 730 0      C-13-H3C(O)CH3
  249989.1981  0.0042 -4.4441 3  275.0493584  59516140436 829 0    36 630 0      C-13-H3C(O)CH3
  249989.2189  0.0042 -5.1639 3  275.0493584 -59516140436 729 0    36 630 0      C-13-H3C(O)CH3
  249989.2189  0.0042 -5.1639 3  275.0493584 -59516140436 829 0    36 730 0      C-13-H3C(O)CH3
  249990.7373  0.2105 -6.4249 3 1438.9146572  595161404714922 4    714823 4      C-13-H3C(O)CH3
  249992.3717  0.2321 -6.1238 3 1438.8641B44  595161404714922 2    714823 2      C-13-H3C(O)CH3
  250010.0918  0.0068 -5.9792 3  253.3073284  59516140435 729 4    35 530 4      C-13-H3C(O)CH3
  250010.0918  0.0068 -4.7103 3  253.3073284  59516140435 629 4    35 530 4      C-13-H3C(O)CH3
  250010.0918  0.0068 -4.7103 3  253.3073284  59516140435 729 4    35 630 4      C-13-H3C(O)CH3
  250010.0918  0.0068 -5.9792 3  253.3073284  59516140435 629 4    35 630 4      C-13-H3C(O)CH3
  250010.2944  0.0061 -4.8070 3  253.3073284  59516140435 629 3    35 530 3      C-13-H3C(O)CH3
  250010.2944  0.0061 -5.3065 3  253.3073284  59516140435 629 3    35 630 3      C-13-H3C(O)CH3
  250010.2944  0.0061 -4.8070 3  253.3073284  59516140435 729 3    35 630 3      C-13-H3C(O)CH3
  250010.2944  0.0061 -5.3065 3  253.3073284  59516140435 729 3    35 530 3      C-13-H3C(O)CH3
  250025.7159  0.0044 -5.0032 3   26.2047184  59516140411 5 6 0    10 4 7 0      C-13-H3C(O)CH3
  250030.6193  0.7208 -7.0299 3 1932.5243D36  595161404835429 0    835330 0      C-13-H3C(O)CH3
  250038.6604  0.0303 -5.5405 3  655.3434364  5951614044542 3 4    4541 4 4      C-13-H3C(O)CH3
  250046.6371  0.0115 -6.0324 3  199.7166220  595161404271611 3    271314 3      C-13-H3C(O)CH3
  250052.2931  0.0143 -6.0323 3  199.7166220  595161404271611 4    271314 4      C-13-H3C(O)CH3
  250064.7862  0.0192 -6.7463 3  140.1584180  5951614042217 5 4    2214 9 4      C-13-H3C(O)CH3
  250069.0835  0.0018 -3.9861 3   98.7326180 -59516140422 518 4    21 417 4      C-13-H3C(O)CH3
  250069.0835  0.0018 -3.9861 3   98.7326180 -59516140422 518 3    21 417 3      C-13-H3C(O)CH3
  250069.0835  0.0018 -3.9861 3   98.7326180 -59516140422 418 4    21 517 4      C-13-H3C(O)CH3
  250069.0835  0.0018 -3.9861 3   98.7326180 -59516140422 418 3    21 517 3      C-13-H3C(O)CH3
  250070.5935  0.0099 -5.7302 3  199.7283440  595161404271611 1    271314 1      C-13-H3C(O)CH3
  250082.7098  0.0085 -5.9246 3  288.2798536  595161404331717 0    321814 0      C-13-H3C(O)CH3
  250094.8308  0.0721 -5.9010 3 1123.8018500  595161404624617 4    624518 4      C-13-H3C(O)CH3
  250098.2804  0.4148 -6.7774 3 1634.7537612  595161404765126 4    765027 4      C-13-H3C(O)CH3
  250099.6738  0.0079 -5.1394 3  162.7423392  5951614042417 8 1    2318 6 1      C-13-H3C(O)CH3
  250105.6001  0.0122 -5.4228 3  162.8062196  5951614042417 7 4    2318 5 4      C-13-H3C(O)CH3
  250116.7512  0.0084 -5.1384 3  162.7986392  5951614042417 7 1    2318 5 1      C-13-H3C(O)CH3
  250121.4176  0.0084 -5.1137 3  162.7974392  5951614042417 7 0    2318 6 0      C-13-H3C(O)CH3
  250122.7213  0.0020 -3.6849 3   98.6971360 -59516140422 518 1    21 417 1      C-13-H3C(O)CH3
  250122.7213  0.0020 -3.6849 3   98.6971360 -59516140422 418 1    21 517 1      C-13-H3C(O)CH3
  250123.3232  0.0019 -3.6850 3   98.6964360 -59516140422 518 2    21 417 2      C-13-H3C(O)CH3
  250123.3232  0.0019 -3.6850 3   98.6964360 -59516140422 418 2    21 517 2      C-13-H3C(O)CH3
  250123.5329  0.0104 -5.9239 3  288.2530536  595161404331717 2    321814 2      C-13-H3C(O)CH3
  250140.4597  0.8142 -7.1013 3 1932.5176D36  595161404835429 2    835330 2      C-13-H3C(O)CH3
  250176.8451  0.0018 -3.6848 3   98.6609360 -59516140422 418 0    21 517 0      C-13-H3C(O)CH3
  250176.8451  0.0018 -3.6848 3   98.6609360 -59516140422 518 0    21 417 0      C-13-H3C(O)CH3
  250188.8119  0.0134 -5.6090 3  218.4368440  5951614042722 5 2    2623 3 2      C-13-H3C(O)CH3
  250193.0474  0.0143 -5.6105 3  218.3908440  5951614042722 6 1    2623 4 1      C-13-H3C(O)CH3
  250197.3165  0.6395 -6.9687 3 1634.7789612  595161404765126 3    765026 3      C-13-H3C(O)CH3
  250214.2330  0.4657 -6.4791 3 1634.7538C24  595161404765126 1    765027 1      C-13-H3C(O)CH3
  250216.2827  0.0234 -5.5107 3  327.0836552  595161404342311 2    342014 2      C-13-H3C(O)CH3
  250219.4424  0.0050 -4.8196 3  253.3022568 -59516140435 629 2    35 530 2      C-13-H3C(O)CH3
  250219.4424  0.0050 -4.8196 3  253.3022568 -59516140435 729 2    35 630 2      C-13-H3C(O)CH3
  250219.4578  0.0050 -4.5849 3  253.3022568  59516140435 629 2    35 630 2      C-13-H3C(O)CH3
  250219.4578  0.0050 -4.5849 3  253.3022568  59516140435 729 2    35 530 2      C-13-H3C(O)CH3
  250222.0888  0.0054 -4.5824 3  253.3028568  59516140435 629 1    35 630 1      C-13-H3C(O)CH3
  250222.0888  0.0054 -4.6049 3  253.3028568  59516140435 729 1    35 530 1      C-13-H3C(O)CH3
  250222.1158  0.0054 -4.7875 3  253.3028568 -59516140435 729 1    35 630 1      C-13-H3C(O)CH3
  250222.1158  0.0054 -4.8243 3  253.3028568 -59516140435 629 1    35 530 1      C-13-H3C(O)CH3
  250234.9411  0.0689 -5.9007 3 1123.8255500  595161404624617 3    624518 3      C-13-H3C(O)CH3
  250303.9322  0.0613 -5.9005 3 1123.8258500  595161404624616 3    624517 3      C-13-H3C(O)CH3
  250311.8799  0.0143 -5.6092 3  218.4189440  5951614042722 5 1    2623 3 1      C-13-H3C(O)CH3
  250317.5466  0.0647 -5.5994 3 1123.7773A00  595161404624617 2    624518 2      C-13-H3C(O)CH3
  250336.4536  0.0598 -5.5993 3 1123.7718A00  595161404624617 1    624518 1      C-13-H3C(O)CH3
  250340.7873  0.0145 -5.6092 3  218.4009440  5951614042722 6 2    2623 4 2      C-13-H3C(O)CH3
  250341.3504  0.0079 -4.7945 3  232.1661276  59516140434 629 4    34 430 4      C-13-H3C(O)CH3
  250341.3504  0.0079 -5.5069 3  232.1661276  59516140434 629 4    34 530 4      C-13-H3C(O)CH3
  250341.3504  0.0079 -5.5069 3  232.1661276  59516140434 529 4    34 430 4      C-13-H3C(O)CH3
  250341.3504  0.0079 -4.7945 3  232.1661276  59516140434 529 4    34 530 4      C-13-H3C(O)CH3
  250341.4775  0.0071 -5.2485 3  232.1660276  59516140434 529 3    34 530 3      C-13-H3C(O)CH3
  250341.4775  0.0071 -4.8690 3  232.1660276  59516140434 529 3    34 430 3      C-13-H3C(O)CH3
  250341.4775  0.0071 -4.8690 3  232.1660276  59516140434 629 3    34 530 3      C-13-H3C(O)CH3
  250341.4775  0.0071 -5.2485 3  232.1660276  59516140434 629 3    34 430 3      C-13-H3C(O)CH3
  250375.4229  0.1014 -6.0873 3 1284.4539556  595161404693633 4    693534 4      C-13-H3C(O)CH3
  250375.4473  0.1014 -6.0873 3 1284.4539556  595161404693633 3    693534 3      C-13-H3C(O)CH3
  250390.1897  0.1006 -6.0873 3 1284.4540556  595161404693733 4    693634 4      C-13-H3C(O)CH3
  250390.2344  0.1005 -6.0873 3 1284.4539556  595161404693733 3    693634 3      C-13-H3C(O)CH3
  250394.3826  0.4049 -6.4778 3 1634.7341C24  595161404765126 2    765027 2      C-13-H3C(O)CH3
  250396.8332  0.0047 -6.3226 3   29.4080184  59516140411 8 3 1    10 5 5 1      C-13-H3C(O)CH3
  250405.2869  0.0948 -5.7862 3 1284.4366B12  595161404693633 1    693534 1      C-13-H3C(O)CH3
  250415.1270  0.1013 -5.7862 3 1284.4396B12  595161404693633 2    693534 2      C-13-H3C(O)CH3
  250419.5447  0.0950 -5.7861 3 1284.4367B12  595161404693733 1    693634 1      C-13-H3C(O)CH3
  250421.0937  0.1507 -6.2350 3 1329.1878548  595161404684821 4    684722 4      C-13-H3C(O)CH3
  250428.5452  0.1005 -5.7861 3 1284.4397B12  595161404693733 2    693634 2      C-13-H3C(O)CH3
  250429.3452  0.0054 -6.4093 3   29.4054184  59516140411 8 3 2    10 5 5 2      C-13-H3C(O)CH3
  250430.8463  0.0047 -4.3847 3  253.2977568  59516140435 729 0    35 530 0      C-13-H3C(O)CH3
  250430.8757  0.0047 -4.3847 3  253.2977568 -59516140435 629 0    35 630 0      C-13-H3C(O)CH3
  250439.9930  0.4223 -6.4745 3 1634.7369C24  595161404765125 0    765026 0      C-13-H3C(O)CH3
  250443.3804  0.0630 -5.9002 3 1123.8496500  595161404624616 4    624517 4      C-13-H3C(O)CH3
  250444.9049  0.0947 -5.7860 3 1284.4224B12  595161404693633 0    693534 0      C-13-H3C(O)CH3
  250454.3738  0.0150 -5.9096 3  218.3662220  5951614042722 6 3    2623 3 3      C-13-H3C(O)CH3
  250457.8356  0.0949 -5.7860 3 1284.4225B12  595161404693733 0    693634 0      C-13-H3C(O)CH3
  250458.1204  0.0187 -5.1963 3  776.4948808  5951614045043 8 2    5042 9 2      C-13-H3C(O)CH3
  250471.5706  0.0254 -5.4972 3  776.5019404  5951614045043 8 4    5042 9 4      C-13-H3C(O)CH3
  250476.1745  0.0671 -5.5990 3 1123.7956A00  595161404624616 1    624517 1      C-13-H3C(O)CH3
  250494.6035  0.6575 -6.9679 3 1634.7738612  595161404765125 3    765027 3      C-13-H3C(O)CH3
  250498.2183  0.0102 -5.4226 3  162.7013196  5951614042417 8 4    2318 6 4      C-13-H3C(O)CH3
  250526.0909  0.0625 -5.5989 3 1123.8014A00  595161404624616 2    624517 2      C-13-H3C(O)CH3
  250527.0906  0.0058 -4.6423 3  602.7143792  595161404491930 0    491831 0      C-13-H3C(O)CH3
  250527.0906  0.0058 -4.6423 3  602.7143792  595161404492030 0    491931 0      C-13-H3C(O)CH3
  250529.4647  0.4280 -6.4776 3 1634.7581C24  595161404765125 2    765026 2      C-13-H3C(O)CH3
  250544.1779  0.0231 -5.4972 3  776.5241404  5951614045043 7 3    5042 8 3      C-13-H3C(O)CH3
  250545.9025  0.0191 -5.1962 3  776.4996808  5951614045043 7 2    5042 8 2      C-13-H3C(O)CH3
  250550.1534  0.0046 -6.2352 3   29.4654 92  59516140411 8 3 4    10 5 5 4      C-13-H3C(O)CH3
  250553.5483  0.4112 -6.4784 3 1634.7759C24  595161404765125 1    765026 1      C-13-H3C(O)CH3
  250558.6154  0.0250 -5.4971 3  776.5067404  5951614045043 8 3    5042 9 3      C-13-H3C(O)CH3
  250558.6419  0.0664 -5.5987 3 1123.7474A00  595161404624616 0    624517 0      C-13-H3C(O)CH3
  250558.6815  0.0664 -5.5987 3 1123.7474A00  595161404624617 0    624518 0      C-13-H3C(O)CH3
  250559.4640  0.0109 -6.0925 3  174.8745204  5951614042517 9 4    251412 4      C-13-H3C(O)CH3
  250561.2272  0.4197 -6.4741 3 1634.7322C24  595161404765126 0    765027 0      C-13-H3C(O)CH3
  250575.0512  0.0175 -5.9083 3  218.3943220  5951614042722 5 4    2623 3 4      C-13-H3C(O)CH3
  250578.1581  0.0074 -4.6419 3  602.6934792  595161404492030 2    491931 2      C-13-H3C(O)CH3
  250578.1581  0.0074 -4.6420 3  602.6934792  595161404491930 2    491831 2      C-13-H3C(O)CH3
  250579.7004  0.0064 -4.6419 3  602.6943792  595161404491930 1    491831 1      C-13-H3C(O)CH3
  250579.7004  0.0064 -4.6420 3  602.6943792  595161404492030 1    491931 1      C-13-H3C(O)CH3
  250591.5261  0.1027 -6.0598 3 1224.1737524  595161404654719 4    654620 4      C-13-H3C(O)CH3
  250593.1705  0.0063 -4.7718 3  232.1510552  59516140434 629 2    34 430 2      C-13-H3C(O)CH3
  250593.1705  0.0063 -4.5794 3  232.1510552  59516140434 529 2    34 530 2      C-13-H3C(O)CH3
  250593.1743  0.4241 -6.7763 3 1634.7991612  595161404765125 4    765026 4      C-13-H3C(O)CH3
  250593.1750  0.0063 -5.0599 3  232.1510552 -59516140434 529 2    34 430 2      C-13-H3C(O)CH3
  250593.1750  0.0063 -4.7518 3  232.1510552 -59516140434 629 2    34 530 2      C-13-H3C(O)CH3
  250595.3939  0.0068 -4.4273 3  232.1516552 -59516140434 529 1    34 430 1      C-13-H3C(O)CH3
  250595.3939  0.0068 -4.4273 3  232.1516552 -59516140434 629 1    34 530 1      C-13-H3C(O)CH3
  250595.4126  0.0068 -5.9852 3  232.1516552  59516140434 629 1    34 430 1      C-13-H3C(O)CH3
  250595.4126  0.0068 -5.9852 3  232.1516552  59516140434 529 1    34 530 1      C-13-H3C(O)CH3
  250598.7408  0.0170 -5.1961 3  776.4800808  5951614045043 8 0    5042 9 0      C-13-H3C(O)CH3
  250598.7408  0.0170 -5.1961 3  776.4800808  5951614045043 7 0    5042 8 0      C-13-H3C(O)CH3
  250604.7660  0.0154 -5.9098 3  218.3305220  5951614042722 6 4    2623 4 4      C-13-H3C(O)CH3
  250612.5010  0.0199 -5.1960 3  776.4871808  5951614045043 8 1    5042 9 1      C-13-H3C(O)CH3
  250628.6648  0.0112 -5.5606 3  162.7578196  5951614042417 7 3    2318 5 3      C-13-H3C(O)CH3
  250628.7725  0.1652 -5.9334 3 1329.1660A96  595161404684821 1    684722 1      C-13-H3C(O)CH3
  250630.8496  0.0075 -4.9427 3  602.6733396  595161404491930 3    491831 3      C-13-H3C(O)CH3
  250630.8496  0.0075 -4.9427 3  602.6733396  595161404492030 3    491931 3      C-13-H3C(O)CH3
  250630.9208  0.0075 -4.9427 3  602.6733396  595161404491930 4    491831 4      C-13-H3C(O)CH3
  250630.9208  0.0075 -4.9427 3  602.6733396  595161404492030 4    491931 4      C-13-H3C(O)CH3
  250632.1799  0.0245 -5.4971 3  776.5288404  5951614045043 7 4    5042 8 4      C-13-H3C(O)CH3
  250632.1986  0.0259 -5.3151 3  634.1659712  5951614044442 3 2    4441 4 2      C-13-H3C(O)CH3
  250641.9103  0.0093 -5.2329 3  211.6191268  59516140433 529 4    33 330 4      C-13-H3C(O)CH3
  250641.9103  0.0093 -4.9478 3  211.6191268  59516140433 529 4    33 430 4      C-13-H3C(O)CH3
  250641.9103  0.0093 -4.9478 3  211.6191268  59516140433 429 4    33 330 4      C-13-H3C(O)CH3
  250641.9103  0.0093 -5.2329 3  211.6191268  59516140433 429 4    33 430 4      C-13-H3C(O)CH3
  250641.9237  0.0084 -5.0531 3  211.6191268  59516140433 429 3    33 330 3      C-13-H3C(O)CH3
  250641.9237  0.0084 -5.0820 3  211.6191268  59516140433 429 3    33 430 3      C-13-H3C(O)CH3
  250641.9237  0.0084 -5.0820 3  211.6191268  59516140433 529 3    33 330 3      C-13-H3C(O)CH3
  250641.9237  0.0084 -5.0531 3  211.6191268  59516140433 529 3    33 430 3      C-13-H3C(O)CH3
  250656.7362  0.1303 -6.2345 3 1329.2133548  595161404684821 3    684722 3      C-13-H3C(O)CH3
  250673.5164  0.1350 -6.2345 3 1329.2176548  595161404684820 3    684721 3      C-13-H3C(O)CH3
  250685.7566  0.0184 -5.1960 3  776.5093808  5951614045043 7 1    5042 8 1      C-13-H3C(O)CH3
  250717.5246  0.1572 -5.9332 3 1329.1647A96  595161404684821 2    684722 2      C-13-H3C(O)CH3
  250718.1135  0.0219 -5.3152 3  634.1931712  5951614044442 2 0    4441 4 0      C-13-H3C(O)CH3
  250718.1135  0.0219 -5.3152 3  634.1931712  5951614044442 3 0    4441 3 0      C-13-H3C(O)CH3
  250724.9220  0.0144 -5.9085 3  218.3585220  5951614042722 5 3    2623 4 3      C-13-H3C(O)CH3
  250786.5168  0.0343 -5.6156 3  634.1493356  5951614044442 3 4    4441 4 4      C-13-H3C(O)CH3
  250788.0451  0.0967 -6.0594 3 1224.2022524  595161404654718 3    654619 3      C-13-H3C(O)CH3
  250823.6206  0.0852 -6.0593 3 1224.1993524  595161404654719 3    654620 3      C-13-H3C(O)CH3
  250824.0958  0.1005 -5.7582 3 1224.1469A48  595161404654719 1    654620 1      C-13-H3C(O)CH3
  250846.5936  0.0059 -4.7536 3  232.1366552  59516140434 529 0    34 530 0      C-13-H3C(O)CH3
  250846.5936  0.0059 -4.7536 3  232.1366552  59516140434 629 0    34 430 0      C-13-H3C(O)CH3
  250846.6129  0.0059 -4.6801 3  232.1366552 -59516140434 629 0    34 530 0      C-13-H3C(O)CH3
  250846.6129  0.0059 -4.6801 3  232.1366552 -59516140434 529 0    34 430 0      C-13-H3C(O)CH3
  250858.9971  0.1016 -5.7581 3 1224.1501A48  595161404654719 2    654620 2      C-13-H3C(O)CH3
  250869.3156  0.0206 -5.9485 3  162.7497196  5951614042417 7 3    2318 6 3      C-13-H3C(O)CH3
  250872.8491  0.0263 -5.3147 3  634.1765712  5951614044442 3 1    4441 4 1      C-13-H3C(O)CH3
  250880.9661  0.1714 -5.9329 3 1329.1958A96  595161404684820 1    684721 1      C-13-H3C(O)CH3
  250892.9423  0.0248 -7.1047 3  365.6433584  595161404362413 2    362115 2      C-13-H3C(O)CH3
  250894.9847  0.0341 -5.6156 3  634.2059356  5951614044442 2 3    4441 3 3      C-13-H3C(O)CH3
  250908.4818  0.1359 -6.2340 3 1329.2432548  595161404684820 4    684721 4      C-13-H3C(O)CH3
  250909.7823  0.0270 -5.3147 3  634.2082712  5951614044442 2 2    4441 3 2      C-13-H3C(O)CH3
  250913.4510  0.0101 -4.9548 3  191.6674260  59516140432 329 3    32 230 3      C-13-H3C(O)CH3
  250913.4510  0.0101 -4.8480 3  191.6674260  59516140432 329 3    32 330 3      C-13-H3C(O)CH3
  250913.4510  0.0101 -6.8884 3  191.6674260  59516140432 429 3    32 330 3      C-13-H3C(O)CH3
  250913.4510  0.0101 -5.4919 3  191.6674260  59516140432 429 3    32 230 3      C-13-H3C(O)CH3
  250913.5968  0.0110 -5.2457 3  191.6675260  59516140432 329 4    32 330 4      C-13-H3C(O)CH3
  250913.5968  0.0110 -4.9433 3  191.6675260  59516140432 329 4    32 230 4      C-13-H3C(O)CH3
  250913.5968  0.0110 -5.0636 3  191.6675260  59516140432 429 4    32 330 4      C-13-H3C(O)CH3
  250913.5968  0.0110 -5.5342 3  191.6675260  59516140432 429 4    32 230 4      C-13-H3C(O)CH3
  250921.8094  0.0066 -6.0510 3  174.8745204  5951614042517 9 3    251412 3      C-13-H3C(O)CH3
  250924.0517  0.1771 -5.9326 3 1329.1430A96  595161404684820 0    684721 0      C-13-H3C(O)CH3
  250926.1940  0.0078 -5.7652 3  174.8806408  5951614042517 9 1    251412 1      C-13-H3C(O)CH3
  250926.3939  0.1770 -5.9326 3 1329.1430A96  595161404684821 0    684722 0      C-13-H3C(O)CH3
  250939.4870  0.0085 -4.4791 3  211.5927536  59516140433 429 2    33 430 2      C-13-H3C(O)CH3
  250939.4870  0.0085 -4.4791 3  211.5927536  59516140433 529 2    33 330 2      C-13-H3C(O)CH3
  250939.4885  0.0085 -5.9246 3  211.5927536 -59516140433 429 2    33 330 2      C-13-H3C(O)CH3
  250939.4885  0.0085 -5.9246 3  211.5927536 -59516140433 529 2    33 430 2      C-13-H3C(O)CH3
  250941.2816  0.0091 -4.5327 3  211.5932536  59516140433 429 1    33 430 1      C-13-H3C(O)CH3
  250941.2816  0.0091 -4.5327 3  211.5932536  59516140433 529 1    33 330 1      C-13-H3C(O)CH3
  250941.2816  0.0091 -5.2988 3  211.5932536  59516140433 529 1    33 430 1      C-13-H3C(O)CH3
  250941.2816  0.0091 -5.2988 3  211.5932536  59516140433 429 1    33 330 1      C-13-H3C(O)CH3
  250952.9000  0.1531 -5.9327 3 1329.1903A96  595161404684820 2    684721 2      C-13-H3C(O)CH3
  250972.5631  0.9192 -7.0984 3 1932.4664D36  595161404835430 2    835331 2      C-13-H3C(O)CH3
  250981.8405  0.0256 -5.3147 3  634.2332712  5951614044442 2 1    4441 3 1      C-13-H3C(O)CH3
  251019.4353  0.0912 -6.0589 3 1224.2279524  595161404654718 4    654619 4      C-13-H3C(O)CH3
  251020.3020  0.1114 -5.7577 3 1224.1754A48  595161404654718 1    654619 1      C-13-H3C(O)CH3
  251064.1749  0.0348 -5.6152 3  634.1915356  5951614044442 3 3    4441 4 3      C-13-H3C(O)CH3
  251090.6809  0.0988 -5.7576 3 1224.1758A48  595161404654718 2    654619 2      C-13-H3C(O)CH3
  251091.1569  0.1122 -5.7575 3 1224.1233A48  595161404654718 0    654619 0      C-13-H3C(O)CH3
  251091.4851  0.1122 -5.7575 3 1224.1233A48  595161404654719 0    654620 0      C-13-H3C(O)CH3
  251099.9137  0.0139 -6.7889 3   97.9081296  5951614041816 3 0    1813 6 0      C-13-H3C(O)CH3
  251133.9084  0.0147 -5.0229 3  849.7962920  595161404572631 0    572532 0      C-13-H3C(O)CH3
  251133.9157  0.0147 -5.0229 3  849.7962920  595161404572731 0    572632 0      C-13-H3C(O)CH3
  251134.0638  0.0020 -6.0056 3  101.8428188  59516140423 420 3    22 419 3      C-13-H3C(O)CH3
  251134.0638  0.0020 -3.9385 3  101.8428188  59516140423 320 3    22 419 3      C-13-H3C(O)CH3
  251134.0799  0.0020 -6.2601 3  101.8428188 -59516140423 320 4    22 419 4      C-13-H3C(O)CH3
  251134.0799  0.0020 -3.9355 3  101.8428188 -59516140423 420 3    22 319 3      C-13-H3C(O)CH3
  251134.0799  0.0020 -5.7711 3  101.8428188 -59516140423 420 4    22 319 4      C-13-H3C(O)CH3
  251134.1027  0.0020 -3.9416 3  101.8428188  59516140423 320 4    22 319 4      C-13-H3C(O)CH3
  251134.1027  0.0020 -3.9373 3  101.8428188  59516140423 420 4    22 419 4      C-13-H3C(O)CH3
  251157.8086  0.0122 -5.3142 3  172.3120252  59516140431 229 3    31 130 3      C-13-H3C(O)CH3
  251157.8086  0.0122 -5.2392 3  172.3120252  59516140431 229 3    31 230 3      C-13-H3C(O)CH3
  251157.8086  0.0122 -5.3142 3  172.3120252  59516140431 329 3    31 230 3      C-13-H3C(O)CH3
  251157.8086  0.0122 -5.2392 3  172.3120252  59516140431 329 3    31 130 3      C-13-H3C(O)CH3
  251158.1662  0.0132 -4.9742 3  172.3120252  59516140431 229 4    31 230 4      C-13-H3C(O)CH3
  251158.1662  0.0132 -4.9742 3  172.3120252  59516140431 329 4    31 130 4      C-13-H3C(O)CH3
  251163.3199  0.0163 -5.0227 3  849.7993920  595161404572631 1    572532 1      C-13-H3C(O)CH3
  251163.3286  0.0163 -5.0227 3  849.7993920  595161404572731 1    572632 1      C-13-H3C(O)CH3
  251165.3633  0.0209 -5.0227 3  849.7996920  595161404572631 2    572532 2      C-13-H3C(O)CH3
  251165.3716  0.0209 -5.0227 3  849.7996920  595161404572731 2    572632 2      C-13-H3C(O)CH3
  251174.7061  0.0375 -5.6152 3  634.2481356  5951614044442 2 4    4441 3 4      C-13-H3C(O)CH3
  251178.0491  0.0021 -5.2080 3  101.8017376  59516140423 320 1    22 319 1      C-13-H3C(O)CH3
  251178.0491  0.0021 -5.2080 3  101.8017376  59516140423 420 1    22 419 1      C-13-H3C(O)CH3
  251178.1931  0.0021 -3.7171 3  101.8011376 -59516140423 420 2    22 319 2      C-13-H3C(O)CH3
  251178.1931  0.0021 -3.7475 3  101.8011376 -59516140423 320 2    22 419 2      C-13-H3C(O)CH3
  251178.1931  0.0021 -3.6457 3  101.8017376 -59516140423 320 1    22 419 1      C-13-H3C(O)CH3
  251178.1931  0.0021 -3.6457 3  101.8017376 -59516140423 420 1    22 319 1      C-13-H3C(O)CH3
  251178.3355  0.0021 -4.3933 3  101.8011376  59516140423 320 2    22 319 2      C-13-H3C(O)CH3
  251178.3355  0.0021 -4.2725 3  101.8011376  59516140423 420 2    22 419 2      C-13-H3C(O)CH3
  251187.3424  0.6794 -7.0260 3 1932.4783D36  595161404835430 0    835331 0      C-13-H3C(O)CH3
  251194.8353  0.0214 -5.3236 3  849.8027460  595161404572631 3    572532 3      C-13-H3C(O)CH3
  251194.8452  0.0214 -5.3236 3  849.8027460  595161404572731 3    572632 3      C-13-H3C(O)CH3
  251194.9427  0.0216 -5.3236 3  849.8027460  595161404572631 4    572532 4      C-13-H3C(O)CH3
  251194.9525  0.0216 -5.3236 3  849.8027460  595161404572731 4    572632 4      C-13-H3C(O)CH3
  251209.4423  0.0026 -6.4632 3   49.6559116  59516140414 9 6 4    13 8 6 4      C-13-H3C(O)CH3
  251211.3648  0.0070 -5.7557 3  174.8760408  5951614042517 9 2    251412 2      C-13-H3C(O)CH3
  251222.1964  0.0019 -5.2243 3  101.7601376 -59516140423 320 0    22 319 0      C-13-H3C(O)CH3
  251222.1964  0.0019 -3.6365 3  101.7601376 -59516140423 420 0    22 319 0      C-13-H3C(O)CH3
  251222.2051  0.0019 -3.6503 3  101.7601376  59516140423 320 0    22 419 0      C-13-H3C(O)CH3
  251222.2051  0.0019 -5.5468 3  101.7601376  59516140423 420 0    22 419 0      C-13-H3C(O)CH3
  251238.2045  0.0079 -4.4930 3  211.5669536 -59516140433 529 0    33 430 0      C-13-H3C(O)CH3
  251238.2045  0.0079 -4.4930 3  211.5669536 -59516140433 429 0    33 330 0      C-13-H3C(O)CH3
  251238.2094  0.0079 -5.6324 3  211.5669536  59516140433 429 0    33 430 0      C-13-H3C(O)CH3
  251238.2094  0.0079 -5.6324 3  211.5669536  59516140433 529 0    33 330 0      C-13-H3C(O)CH3
  251260.1302  0.0116 -4.5432 3  191.6282520  59516140432 429 2    32 230 2      C-13-H3C(O)CH3
  251260.1302  0.0116 -4.5467 3  191.6282520  59516140432 329 2    32 330 2      C-13-H3C(O)CH3
  251260.1435  0.0116 -6.4567 3  191.6282520 -59516140432 329 2    32 230 2      C-13-H3C(O)CH3
  251260.1435  0.0116 -6.9178 3  191.6282520 -59516140432 429 2    32 330 2      C-13-H3C(O)CH3
  251261.2470  0.0122 -4.8747 3  191.6286520 -59516140432 429 1    32 330 1      C-13-H3C(O)CH3
  251261.2470  0.0122 -4.8747 3  191.6286520 -59516140432 329 1    32 230 1      C-13-H3C(O)CH3
  251261.4230  0.0122 -4.8127 3  191.6286520  59516140432 429 1    32 230 1      C-13-H3C(O)CH3
  251261.4230  0.0122 -4.8127 3  191.6286520  59516140432 329 1    32 330 1      C-13-H3C(O)CH3
  251269.2550  0.0043 -5.3052 3   26.3251 92  59516140411 6 6 4    10 3 7 4      C-13-H3C(O)CH3
  251277.3108  0.0033 -5.3052 3   26.3250 92  59516140411 6 6 3    10 3 7 3      C-13-H3C(O)CH3
  251313.8065  0.0126 -5.4669 3  320.9004552  595161404342113 2    341816 2      C-13-H3C(O)CH3
  251329.0149  0.0183 -6.1494 3  162.7568392  5951614042417 7 2    2318 6 2      C-13-H3C(O)CH3
  251342.4932  0.0106 -5.4679 3  320.9283552  595161404342113 0    341816 0      C-13-H3C(O)CH3
  251376.6829  0.0148 -5.7431 3  153.5537244  59516140430 229 3    30 030 3      C-13-H3C(O)CH3
  251376.6829  0.0148 -5.7431 3  153.5537244  59516140430 129 3    30 130 3      C-13-H3C(O)CH3
  251376.6829  0.0148 -5.3890 3  153.5537244  59516140430 129 3    30 030 3      C-13-H3C(O)CH3
  251376.6829  0.0148 -5.3890 3  153.5537244  59516140430 229 3    30 130 3      C-13-H3C(O)CH3
  251377.3122  0.0157 -5.2323 3  153.5537244  59516140430 129 4    30 030 4      C-13-H3C(O)CH3
  251377.3122  0.0157 -5.2323 3  153.5537244  59516140430 229 4    30 130 4      C-13-H3C(O)CH3
  251408.0475  0.0067 -5.7448 3  174.8820408  5951614042517 9 0    251412 0      C-13-H3C(O)CH3
  251418.8133  0.0022 -6.6810 3   49.6145232  59516140414 9 6 1    13 8 6 1      C-13-H3C(O)CH3
  251432.3608  0.0024 -6.8176 3   49.6133232  59516140414 9 6 2    13 8 6 2      C-13-H3C(O)CH3
  251446.6482  0.0053 -4.6017 3  573.3556776  595161404481830 0    481731 0      C-13-H3C(O)CH3
  251446.6482  0.0053 -4.6006 3  573.3556776  595161404481930 0    481831 0      C-13-H3C(O)CH3
  251446.6482  0.0053 -7.0476 3  573.3556776  595161404481930 0    481731 0      C-13-H3C(O)CH3
  251452.8906  0.0465 -5.7219 3  999.8965468  595161404584514 4    584415 4      C-13-H3C(O)CH3
  251491.1152  0.0041 -5.0029 3   26.2639184  59516140411 6 6 2    10 3 7 2      C-13-H3C(O)CH3
  251494.5282  0.0066 -4.5999 3  573.3320776  595161404481830 2    481731 2      C-13-H3C(O)CH3
  251494.5282  0.0066 -4.5999 3  573.3320776  595161404481930 2    481831 2      C-13-H3C(O)CH3
  251496.4214  0.0060 -4.6002 3  573.3329776  595161404481830 1    481731 1      C-13-H3C(O)CH3
  251496.4214  0.0060 -4.6001 3  573.3329776  595161404481930 1    481831 1      C-13-H3C(O)CH3
  251497.1465  0.0142 -5.7693 3  320.8795276  595161404342113 4    341816 4      C-13-H3C(O)CH3
  251502.4547  0.0040 -5.0030 3   26.2647184  59516140411 6 6 1    10 3 7 1      C-13-H3C(O)CH3
  251504.5172  0.0437 -5.7217 3  999.9102468  595161404584514 3    584415 3      C-13-H3C(O)CH3
  251516.6083  0.0071 -6.5785 3   94.3139156  5951614041911 9 4    19 812 4      C-13-H3C(O)CH3
  251516.6940  0.0166 -5.7694 3  320.8794276  595161404342113 3    341816 3      C-13-H3C(O)CH3
  251527.1037  0.0052 -6.5785 3   94.3139156  5951614041911 9 3    19 812 3      C-13-H3C(O)CH3
  251534.7147  0.0123 -5.4693 3  320.9073552  595161404342113 1    341816 1      C-13-H3C(O)CH3
  251542.1114  0.0314 -5.5831 3  884.1583436  595161404544411 3    544312 3      C-13-H3C(O)CH3
  251544.3791  0.0068 -4.9006 3  573.3092388  595161404481930 3    481831 3      C-13-H3C(O)CH3
  251544.3791  0.0068 -4.9006 3  573.3092388  595161404481830 3    481731 3      C-13-H3C(O)CH3
  251544.4264  0.0069 -4.9006 3  573.3092388  595161404481830 4    481731 4      C-13-H3C(O)CH3
  251544.4264  0.0069 -4.9006 3  573.3092388  595161404481930 4    481831 4      C-13-H3C(O)CH3
  251556.7224  0.0156 -4.6813 3  172.2584504  59516140431 329 2    31 130 2      C-13-H3C(O)CH3
  251556.7224  0.0156 -6.3046 3  172.2584504  59516140431 229 2    31 130 2      C-13-H3C(O)CH3
  251556.7224  0.0156 -4.6813 3  172.2584504  59516140431 229 2    31 230 2      C-13-H3C(O)CH3
  251556.7224  0.0156 -6.3046 3  172.2584504  59516140431 329 2    31 230 2      C-13-H3C(O)CH3
  251557.4642  0.0162 -4.7765 3  172.2588504  59516140431 229 1    31 130 1      C-13-H3C(O)CH3
  251557.4642  0.0162 -4.7765 3  172.2588504  59516140431 329 1    31 230 1      C-13-H3C(O)CH3
  251557.4642  0.0162 -5.3387 3  172.2588504  59516140431 229 1    31 230 1      C-13-H3C(O)CH3
  251557.4642  0.0162 -5.3387 3  172.2588504  59516140431 329 1    31 130 1      C-13-H3C(O)CH3
  251560.7913  0.0362 -7.1198 3  586.4416744  595161404462819 0    453114 0      C-13-H3C(O)CH3
  251562.2658  0.0326 -5.5832 3  884.1605436  595161404544411 4    544312 4      C-13-H3C(O)CH3
  251570.9451  0.0324 -5.5830 3  884.1693436  595161404544410 4    544311 4      C-13-H3C(O)CH3
  251584.8771  0.0435 -5.7216 3  999.9171468  595161404584513 3    584414 3      C-13-H3C(O)CH3
  251587.2657  0.0367 -5.4205 3  999.8723936  595161404584514 2    584415 2      C-13-H3C(O)CH3
  251589.7206  0.0247 -5.2821 3  884.1347872  595161404544411 2    544312 2      C-13-H3C(O)CH3
  251590.8857  0.0316 -5.5831 3  884.1716436  595161404544410 3    544311 3      C-13-H3C(O)CH3
  251607.2711  0.0109 -4.5402 3  191.5895520 -59516140432 329 0    32 230 0      C-13-H3C(O)CH3
  251607.2711  0.0109 -4.5402 3  191.5895520 -59516140432 429 0    32 330 0      C-13-H3C(O)CH3
  251617.9320  0.0247 -5.2820 3  884.1457872  595161404544410 2    544311 2      C-13-H3C(O)CH3
  251621.6151  0.0309 -5.4422 3  613.5584696  5951614044342 2 2    4341 3 2      C-13-H3C(O)CH3
  251636.1476  0.0424 -5.7214 3  999.9307468  595161404584513 4    584414 4      C-13-H3C(O)CH3
  251675.3282  0.0340 -5.4203 3  999.8681936  595161404584514 1    584415 1      C-13-H3C(O)CH3
  251679.4909  0.0258 -5.4424 3  613.5935696  5951614044342 2 0    4341 3 0      C-13-H3C(O)CH3
  251679.4909  0.0258 -5.4424 3  613.5935696  5951614044342 1 0    4341 2 0      C-13-H3C(O)CH3
  251699.7504  0.0242 -5.2817 3  884.1338872  595161404544411 1    544312 1      C-13-H3C(O)CH3
  251702.2613  0.0052 -6.2733 3   94.2873312  5951614041911 9 2    19 812 2      C-13-H3C(O)CH3
  251718.6138  0.0354 -5.4202 3  999.8929936  595161404584513 2    584414 2      C-13-H3C(O)CH3
  251720.0153  0.0042 -5.0017 3   26.2037184  59516140411 6 6 0    10 3 7 0      C-13-H3C(O)CH3
  251720.0860  0.0251 -5.2818 3  884.1361872  595161404544410 1    544311 1      C-13-H3C(O)CH3
  251726.5518  0.0325 -5.4201 3  999.8817936  595161404584513 1    584414 1      C-13-H3C(O)CH3
  251746.5322  0.0213 -5.2817 3  884.1102872  595161404544410 0    544311 0      C-13-H3C(O)CH3
  251746.5322  0.0213 -5.2817 3  884.1102872  595161404544411 0    544312 0      C-13-H3C(O)CH3
  251747.6400  0.0051 -6.2744 3   94.2889312  5951614041911 9 1    19 812 1      C-13-H3C(O)CH3
  251806.6625  0.0180 -6.3555 3  162.7423392  5951614042417 7 1    2318 6 1      C-13-H3C(O)CH3
  251808.8398  0.0320 -5.4199 3  999.8439936  595161404584513 0    584414 0      C-13-H3C(O)CH3
  251808.8406  0.0320 -5.4199 3  999.8439936  595161404584514 0    584415 0      C-13-H3C(O)CH3
  251811.4436  0.0405 -5.7426 3  613.5392348  5951614044342 2 4    4341 3 4      C-13-H3C(O)CH3
  251830.7917  0.0205 -4.9272 3  153.4843488  59516140430 229 2    30 030 2      C-13-H3C(O)CH3
  251830.7917  0.0205 -4.9272 3  153.4843488  59516140430 129 2    30 130 2      C-13-H3C(O)CH3
  251830.9392  0.0212 -4.9385 3  153.4847488  59516140430 129 1    30 030 1      C-13-H3C(O)CH3
  251830.9392  0.0212 -6.5066 3  153.4847488  59516140430 229 1    30 030 1      C-13-H3C(O)CH3
  251830.9392  0.0212 -4.9385 3  153.4847488  59516140430 229 1    30 130 1      C-13-H3C(O)CH3
  251830.9392  0.0212 -6.5066 3  153.4847488  59516140430 129 1    30 130 1      C-13-H3C(O)CH3
  251869.6427  0.0312 -5.4417 3  613.5743696  5951614044342 2 1    4341 3 1      C-13-H3C(O)CH3
  251885.3252  0.0024 -6.7402 3   51.4944116  5951614041410 4 3    13 9 4 3      C-13-H3C(O)CH3
  251892.3021  0.0182 -5.1986 3  752.9018792  5951614044943 7 2    4942 8 2      C-13-H3C(O)CH3
  251907.0496  0.4996 -7.0866 3 1977.0652D68  595161404854937 0    854838 0      C-13-H3C(O)CH3
  251908.2728  0.4850 -7.0866 3 1977.0608D68  595161404854937 2    854838 2      C-13-H3C(O)CH3
  251909.1800  0.4976 -7.0866 3 1977.0574D68  595161404854937 1    854838 1      C-13-H3C(O)CH3
  251914.4145  0.0416 -5.7427 3  613.6023348  5951614044342 1 3    4341 2 3      C-13-H3C(O)CH3
  251927.7450  0.0051 -6.2701 3   94.2623312  5951614041911 9 0    19 812 0      C-13-H3C(O)CH3
  251930.2647  0.0343 -5.4418 3  613.6100696  5951614044342 1 2    4341 2 2      C-13-H3C(O)CH3
  251932.5827  0.0248 -5.4994 3  752.9047396  5951614044943 7 4    4942 8 4      C-13-H3C(O)CH3
  251950.0947  0.0080 -6.2913 3  324.6841284  595161404351718 3    342015 3      C-13-H3C(O)CH3
  251951.3822  0.0082 -6.2913 3  324.6840284  595161404351718 4    342015 4      C-13-H3C(O)CH3
  251955.4348  0.0149 -4.7165 3  172.2053504  59516140431 329 0    31 130 0      C-13-H3C(O)CH3
  251955.4348  0.0149 -5.6570 3  172.2053504  59516140431 329 0    31 230 0      C-13-H3C(O)CH3
  251955.4348  0.0149 -4.7165 3  172.2053504  59516140431 229 0    31 230 0      C-13-H3C(O)CH3
  251955.4348  0.0149 -5.6570 3  172.2053504  59516140431 229 0    31 130 0      C-13-H3C(O)CH3
  251973.0176  0.0312 -5.4418 3  613.6375696  5951614044342 1 1    4341 2 1      C-13-H3C(O)CH3
  251973.2038  0.0477 -5.6757 3 1056.9843508  595161404633132 3    633033 3      C-13-H3C(O)CH3
  251973.2452  0.0478 -5.6757 3 1056.9844508  595161404633132 4    633033 4      C-13-H3C(O)CH3
  251973.6835  0.0477 -5.6757 3 1056.9843508  595161404633232 3    633133 3      C-13-H3C(O)CH3
  251973.7228  0.0477 -5.6757 3 1056.9844508  595161404633232 4    633133 4      C-13-H3C(O)CH3
  251976.6489  0.0411 -5.3747 3 1056.9690A16  595161404633132 1    633033 1      C-13-H3C(O)CH3
  251977.0931  0.0411 -5.3747 3 1056.9690A16  595161404633232 1    633133 1      C-13-H3C(O)CH3
  251981.6558  0.0467 -5.3747 3 1056.9705A16  595161404633132 2    633033 2      C-13-H3C(O)CH3
  251982.0739  0.0467 -5.3747 3 1056.9705A16  595161404633232 2    633133 2      C-13-H3C(O)CH3
  251985.1157  0.0400 -5.3747 3 1056.9552A16  595161404633132 0    633033 0      C-13-H3C(O)CH3
  251985.5026  0.0400 -5.3747 3 1056.9552A16  595161404633232 0    633133 0      C-13-H3C(O)CH3
  251995.2578  0.0082 -5.9904 3  324.7103568  595161404351718 1    342015 1      C-13-H3C(O)CH3
  252015.4616  0.0222 -5.4994 3  752.9330396  5951614044943 6 3    4942 7 3      C-13-H3C(O)CH3
  252022.1132  0.0186 -5.1984 3  752.9123792  5951614044943 6 2    4942 7 2      C-13-H3C(O)CH3
  252025.3373  0.0342 -6.9262 3  528.3925712  595161404442520 2    432815 2      C-13-H3C(O)CH3
  252029.3219  0.0168 -5.1984 3  752.8942792  5951614044943 7 0    4942 7 0      C-13-H3C(O)CH3
  252029.3219  0.0168 -5.1984 3  752.8942792  5951614044943 6 0    4942 8 0      C-13-H3C(O)CH3
  252046.0168  0.0083 -5.9877 3  324.7044568  595161404351718 2    342015 2      C-13-H3C(O)CH3
  252059.5113  0.0565 -7.0877 3  532.9547712  595161404442619 2    432914 2      C-13-H3C(O)CH3
  252061.7686  0.0241 -5.4992 3  752.9152396  5951614044943 7 3    4942 8 3      C-13-H3C(O)CH3
  252070.0247  0.0192 -5.1982 3  752.8972792  5951614044943 7 1    4942 8 1      C-13-H3C(O)CH3
  252090.8724  0.0075 -5.9879 3  324.7307568  595161404351718 0    342015 0      C-13-H3C(O)CH3
  252120.5221  0.0434 -5.7422 3  613.5907348  5951614044342 2 3    4341 3 3      C-13-H3C(O)CH3
  252142.4330  0.1598 -6.3774 3 1444.3933588  595161404733934 4    733835 4      C-13-H3C(O)CH3
  252142.4772  0.1598 -6.3774 3 1444.3933588  595161404733934 3    733835 3      C-13-H3C(O)CH3
  252145.8506  0.0239 -5.4992 3  752.9433396  5951614044943 6 4    4942 7 4      C-13-H3C(O)CH3
  252147.1377  0.0177 -6.9960 3  596.5011388  595161404482127 4    472424 4      C-13-H3C(O)CH3
  252147.2331  0.0176 -6.9961 3  596.5011388  595161404482127 3    472424 3      C-13-H3C(O)CH3
  252153.5217  0.0174 -5.1982 3  752.9254792  5951614044943 6 1    4942 7 1      C-13-H3C(O)CH3
  252154.1576  0.0177 -6.9960 3  596.5008388  595161404482227 4    472324 4      C-13-H3C(O)CH3
  252154.2797  0.0176 -6.9960 3  596.5009388  595161404482227 3    472324 3      C-13-H3C(O)CH3
  252157.7867  0.0148 -6.6962 3  596.5184776  595161404482127 1    472424 1      C-13-H3C(O)CH3
  252164.3072  0.0148 -6.6962 3  596.5182776  595161404482227 1    472324 1      C-13-H3C(O)CH3
  252176.5189  0.1508 -6.0762 3 1444.3794B76  595161404733934 1    733835 1      C-13-H3C(O)CH3
  252180.8496  0.0169 -6.6946 3  596.5163776  595161404482127 2    472424 2      C-13-H3C(O)CH3
  252187.5071  0.0169 -6.6945 3  596.5161776  595161404482227 2    472324 2      C-13-H3C(O)CH3
  252187.9702  0.0124 -5.3804 3  403.0615616  595161404382414 0    382117 0      C-13-H3C(O)CH3
  252191.2904  0.0121 -6.6958 3  596.5336776  595161404482127 0    472424 0      C-13-H3C(O)CH3
  252192.0278  0.1608 -6.0762 3 1444.3831B76  595161404733934 2    733835 2      C-13-H3C(O)CH3
  252197.4531  0.0121 -6.6958 3  596.5334776  595161404482227 0    472324 0      C-13-H3C(O)CH3
  252202.8349  0.1557 -6.3772 3 1444.3936588  595161404734034 4    733935 4      C-13-H3C(O)CH3
  252202.9157  0.1556 -6.3772 3 1444.3936588  595161404734034 3    733935 3      C-13-H3C(O)CH3
  252215.1119  0.0023 -3.9917 3  104.4084196  59516140424 322 3    23 321 3      C-13-H3C(O)CH3
  252215.1119  0.0023 -3.9917 3  104.4084196  59516140424 222 3    23 221 3      C-13-H3C(O)CH3
  252215.1384  0.0023 -4.3992 3  104.4084196 -59516140424 322 4    23 221 4      C-13-H3C(O)CH3
  252215.1384  0.0023 -4.5649 3  104.4084196 -59516140424 322 3    23 221 3      C-13-H3C(O)CH3
  252215.1384  0.0023 -4.3992 3  104.4084196 -59516140424 222 4    23 321 4      C-13-H3C(O)CH3
  252215.1384  0.0023 -4.5649 3  104.4084196 -59516140424 222 3    23 321 3      C-13-H3C(O)CH3
  252215.1471  0.0023 -4.0493 3  104.4084196  59516140424 322 4    23 321 4      C-13-H3C(O)CH3
  252215.1471  0.0023 -4.0493 3  104.4084196  59516140424 222 4    23 221 4      C-13-H3C(O)CH3
  252220.7135  0.4193 -7.0302 3 1790.7440652  595161404814536 4    814437 4      C-13-H3C(O)CH3
  252220.7445  0.4198 -7.0302 3 1790.7440652  595161404814536 3    814437 3      C-13-H3C(O)CH3
  252225.6526  0.0464 -5.7422 3  613.6538348  5951614044342 1 4    4341 2 4      C-13-H3C(O)CH3
  252225.9724  0.1513 -6.0761 3 1444.3693B76  595161404733934 0    733835 0      C-13-H3C(O)CH3
  252227.4873  0.3655 -6.7292 3 1790.7423D04  595161404814536 1    814437 1      C-13-H3C(O)CH3
  252235.9116  0.1511 -6.0760 3 1444.3797B76  595161404734034 1    733935 1      C-13-H3C(O)CH3
  252247.8425  0.1567 -6.0760 3 1444.3834B76  595161404734034 2    733935 2      C-13-H3C(O)CH3
  252248.3399  0.0024 -3.6208 3  104.3599392  59516140424 222 1    23 321 1      C-13-H3C(O)CH3
  252248.3399  0.0024 -4.7212 3  104.3599392  59516140424 322 1    23 321 1      C-13-H3C(O)CH3
  252248.4264  0.0024 -4.7212 3  104.3599392 -59516140424 222 1    23 221 1      C-13-H3C(O)CH3
  252248.4264  0.0023 -4.5502 3  104.3594392 -59516140424 222 2    23 321 2      C-13-H3C(O)CH3
  252248.4264  0.0023 -3.6378 3  104.3594392 -59516140424 322 2    23 321 2      C-13-H3C(O)CH3
  252248.4264  0.0024 -3.6208 3  104.3599392 -59516140424 322 1    23 221 1      C-13-H3C(O)CH3
  252248.5139  0.0023 -3.6378 3  104.3594392  59516140424 222 2    23 221 2      C-13-H3C(O)CH3
  252248.5139  0.0023 -4.5502 3  104.3594392  59516140424 322 2    23 221 2      C-13-H3C(O)CH3
  252249.9070  0.0026 -4.8009 3   51.4578232 -5951614041410 4 1    13 9 4 1      C-13-H3C(O)CH3
  252252.8876  0.0166 -5.5818 3  145.4576188  5951614042315 9 4    2216 6 4      C-13-H3C(O)CH3
  252263.0830  0.0028 -4.8949 3   51.4553232 -5951614041410 4 2    13 9 4 2      C-13-H3C(O)CH3
  252280.7998  0.1517 -6.0759 3 1444.3695B76  595161404734034 0    733935 0      C-13-H3C(O)CH3
  252281.6561  0.0021 -3.6728 3  104.3111392 -59516140424 322 0    23 321 0      C-13-H3C(O)CH3
  252281.6561  0.0021 -4.3363 3  104.3111392 -59516140424 322 0    23 221 0      C-13-H3C(O)CH3
  252281.6561  0.0021 -4.3363 3  104.3111392 -59516140424 222 0    23 321 0      C-13-H3C(O)CH3
  252281.6561  0.0021 -3.6728 3  104.3111392 -59516140424 222 0    23 221 0      C-13-H3C(O)CH3
  252282.3943  0.4263 -6.7290 3 1790.7468D04  595161404814536 2    814437 2      C-13-H3C(O)CH3
  252283.9160  0.0199 -4.9259 3  153.4154488  59516140430 229 0    30 030 0      C-13-H3C(O)CH3
  252283.9160  0.0199 -4.9259 3  153.4154488  59516140430 129 0    30 130 0      C-13-H3C(O)CH3
  252289.2466  0.3669 -6.7290 3 1790.7452D04  595161404814536 0    814437 0      C-13-H3C(O)CH3
  252304.5589  0.0133 -5.3806 3  403.0392616  595161404382414 1    382117 1      C-13-H3C(O)CH3
  252307.6870  0.0029 -4.7405 3   51.5078116 -5951614041410 4 4    13 9 4 4      C-13-H3C(O)CH3
  252308.3041  0.0049 -4.5607 3  544.5740760  595161404471730 0    471631 0      C-13-H3C(O)CH3
  252308.3041  0.0049 -4.5609 3  544.5740760  595161404471830 0    471731 0      C-13-H3C(O)CH3
  252313.4289  0.0236 -6.9169 3  528.3872712  595161404442520 1    432815 1      C-13-H3C(O)CH3
  252340.1650  0.2802 -6.5607 3 1517.2942588  595161404735024 4    734925 4      C-13-H3C(O)CH3
  252350.8122  0.0060 -4.5605 3  544.5480760  595161404471830 2    471731 2      C-13-H3C(O)CH3
  252350.8122  0.0060 -4.5605 3  544.5480760  595161404471730 2    471631 2      C-13-H3C(O)CH3
  252353.0282  0.0057 -4.5614 3  544.5490760  595161404471830 1    471731 1      C-13-H3C(O)CH3
  252353.0282  0.0057 -4.5610 3  544.5490760  595161404471730 1    471631 1      C-13-H3C(O)CH3
  252353.1333  0.0124 -5.3798 3  403.0300616  595161404382414 2    382117 2      C-13-H3C(O)CH3
  252395.6073  0.0063 -4.8612 3  544.5229380  595161404471730 3    471631 3      C-13-H3C(O)CH3
  252395.6073  0.0063 -4.8612 3  544.5229380  595161404471830 3    471731 3      C-13-H3C(O)CH3
  252395.6256  0.0063 -4.8612 3  544.5229380  595161404471730 4    471631 4      C-13-H3C(O)CH3
  252395.6256  0.0063 -4.8628 3  544.5229380  595161404471830 4    471731 4      C-13-H3C(O)CH3
  252449.3097  0.0117 -5.3627 3  197.4491424  5951614042620 7 0    2521 4 0      C-13-H3C(O)CH3
  252459.9511  0.0117 -5.3627 3  197.4491424  5951614042620 6 0    2521 5 0      C-13-H3C(O)CH3
  252464.8537  0.0149 -5.6809 3  403.0076308  595161404382414 3    382117 3      C-13-H3C(O)CH3
  252469.5584  0.0110 -5.6812 3  403.0077308  595161404382414 4    382117 4      C-13-H3C(O)CH3
  252495.4194  0.3213 -6.2593 3 1517.2860B76  595161404735024 1    734925 1      C-13-H3C(O)CH3
  252512.4663  0.0083 -5.9640 3  142.4249376  595161404231310 2    231013 2      C-13-H3C(O)CH3
  252519.3142  0.5077 -6.9276 3 1718.3823628  595161404785227 4    785128 4      C-13-H3C(O)CH3
  252533.8420  0.0123 -4.9642 3  815.8317904  595161404562531 0    562432 0      C-13-H3C(O)CH3
  252533.8443  0.0123 -4.9642 3  815.8317904  595161404562631 0    562532 0      C-13-H3C(O)CH3
  252534.1630  0.2784 -6.5688 3 1517.3196588  595161404735024 3    734925 3      C-13-H3C(O)CH3
  252537.4751  0.0368 -5.6953 3  593.4485680  5951614044242 1 2    4241 2 2      C-13-H3C(O)CH3
  252557.3694  0.6954 -7.1209 3 1718.4084628  595161404785227 3    785127 3      C-13-H3C(O)CH3
  252562.0502  0.0310 -5.6956 3  593.4912680  5951614044242 1 0    4241 2 0      C-13-H3C(O)CH3
  252562.0502  0.0310 -5.6956 3  593.4912680  5951614044242 0 0    4241 1 0      C-13-H3C(O)CH3
  252570.1057  0.0138 -4.9639 3  815.8320904  595161404562531 1    562432 1      C-13-H3C(O)CH3
  252570.1085  0.0138 -4.9639 3  815.8320904  595161404562631 1    562532 1      C-13-H3C(O)CH3
  252571.7089  0.0180 -4.9639 3  815.8321904  595161404562531 2    562432 2      C-13-H3C(O)CH3
  252571.7115  0.0180 -4.9639 3  815.8321904  595161404562631 2    562532 2      C-13-H3C(O)CH3
  252573.7943  0.0221 -5.4542 3  365.6598584  595161404362412 1    362115 1      C-13-H3C(O)CH3
  252577.0534  0.0035 -4.0767 3   48.8420108  5951614041312 2 4    1211 2 4      C-13-H3C(O)CH3
  252583.8684  0.0077 -5.9618 3  142.4202376  595161404231310 0    231013 0      C-13-H3C(O)CH3
  252584.1327  0.0218 -6.9079 3  528.3960712  595161404442520 0    432815 0      C-13-H3C(O)CH3
  252608.0403  0.0184 -5.2647 3  815.8323452  595161404562531 3    562432 3      C-13-H3C(O)CH3
  252608.0435  0.0184 -5.2647 3  815.8323452  595161404562631 3    562532 3      C-13-H3C(O)CH3
  252608.1554  0.0185 -5.2647 3  815.8323452  595161404562531 4    562432 4      C-13-H3C(O)CH3
  252608.1585  0.0185 -5.2647 3  815.8323452  595161404562631 4    562532 4      C-13-H3C(O)CH3
  252609.3048  0.0102 -5.3613 3  197.4383424  5951614042620 6 2    2521 4 2      C-13-H3C(O)CH3
  252623.8593  0.5672 -6.6344 3 1718.3888C56  595161404785227 1    785128 1      C-13-H3C(O)CH3
  252630.7672  0.0032 -4.0766 3   48.9233108  5951614041312 1 3    1211 1 3      C-13-H3C(O)CH3
  252649.5685  0.0033 -4.0765 3   48.9176108  5951614041312 2 3    1211 2 3      C-13-H3C(O)CH3
  252650.4687  0.2471 -6.5685 3 1517.3226588  595161404735023 3    734924 3      C-13-H3C(O)CH3
  252653.5616  0.2903 -6.2589 3 1517.2747B76  595161404735024 2    734925 2      C-13-H3C(O)CH3
  252662.1746  0.0333 -7.0328 3  532.9390712  595161404442619 1    432914 1      C-13-H3C(O)CH3
  252677.2310  0.0093 -6.2684 3  142.4324188  595161404231310 3    231013 3      C-13-H3C(O)CH3
  252678.3770  0.0196 -5.4544 3  365.6781584  595161404362412 0    362115 0      C-13-H3C(O)CH3
  252700.0673  0.0120 -6.2684 3  142.4324188  595161404231310 4    231013 4      C-13-H3C(O)CH3
  252703.9433  0.0026 -4.0762 3   48.9990108  5951614041312 1 4    1211 1 4      C-13-H3C(O)CH3
  252714.1129  0.0166 -5.3713 3  425.8750632  595161404392514 0    392217 0      C-13-H3C(O)CH3
  252757.2213  0.0082 -5.9653 3  142.4277376  595161404231310 1    231013 1      C-13-H3C(O)CH3
  252763.7286  0.0477 -5.9957 3  593.4273340  5951614044242 1 4    4241 2 4      C-13-H3C(O)CH3
  252788.4363  0.0368 -5.6949 3  593.4700680  5951614044242 1 1    4241 2 1      C-13-H3C(O)CH3
  252797.3410  0.3187 -6.2584 3 1517.2670B76  595161404735023 0    734924 0      C-13-H3C(O)CH3
  252801.1105  0.0109 -5.3618 3  197.3824424  5951614042620 7 1    2521 5 1      C-13-H3C(O)CH3
  252803.8688  0.5011 -6.6236 3 1718.3761C56  595161404785226 0    785127 0      C-13-H3C(O)CH3
  252807.1548  0.3011 -6.2586 3 1517.3145B76  595161404735023 1    734924 1      C-13-H3C(O)CH3
  252807.2963  0.0109 -5.3609 3  197.4241424  5951614042620 6 1    2521 4 1      C-13-H3C(O)CH3
  252814.1524  0.4882 -6.6305 3 1718.3652C56  595161404785227 2    785128 2      C-13-H3C(O)CH3
  252820.5057  0.3183 -6.2584 3 1517.2662B76  595161404735024 0    734925 0      C-13-H3C(O)CH3
  252839.8047  0.0032 -3.7745 3   48.8532216 -5951614041312 2 1    1211 2 1      C-13-H3C(O)CH3
  252842.9661  0.0059 -6.7369 3   82.9012148  59516140418 9 9 3    18 612 3      C-13-H3C(O)CH3
  252843.9152  0.2626 -6.5596 3 1517.3482588  595161404735023 4    734924 4      C-13-H3C(O)CH3
  252845.0357  0.0172 -5.3716 3  425.8529632  595161404392514 1    392217 1      C-13-H3C(O)CH3
  252845.2405  0.2893 -6.2585 3 1517.3003B76  595161404735023 2    734924 2      C-13-H3C(O)CH3
  252852.3913  0.0084 -6.7369 3   82.9012148  59516140418 9 9 4    18 612 4      C-13-H3C(O)CH3
  252853.7461  0.0110 -5.3609 3  197.3964424  5951614042620 7 2    2521 5 2      C-13-H3C(O)CH3
  252857.8630  0.0501 -5.9957 3  593.4966340  5951614044242 1 3    4241 1 3      C-13-H3C(O)CH3
  252858.1428  0.0636 -5.8560 3 1094.1162492  595161404614616 4    614517 4      C-13-H3C(O)CH3
  252866.6375  0.0030 -3.7744 3   48.8631216 -5951614041312 2 2    1211 2 2      C-13-H3C(O)CH3
  252873.3698  0.0434 -5.6949 3  593.5099680  5951614044242 0 2    4241 1 2      C-13-H3C(O)CH3
  252877.1052  0.2542 -6.6915 3 1613.1753620  595161404774235 4    774136 4      C-13-H3C(O)CH3
  252877.1498  0.2544 -6.6915 3 1613.1752620  595161404774235 3    774136 3      C-13-H3C(O)CH3
  252882.8704  0.0377 -5.6949 3  593.5394680  5951614044242 0 1    4241 1 1      C-13-H3C(O)CH3
  252894.2989  0.0027 -3.7743 3   48.9345216 -5951614041312 1 1    1211 1 1      C-13-H3C(O)CH3
  252894.4131  0.5208 -6.6304 3 1718.3900C56  595161404785226 2    785127 2      C-13-H3C(O)CH3
  252904.5176  0.2333 -6.3903 3 1613.1671C40  595161404774235 1    774136 1      C-13-H3C(O)CH3
  252915.1337  0.0876 -6.0069 3 1243.7092548  595161404683533 4    683434 4      C-13-H3C(O)CH3
  252915.1488  0.0876 -6.0069 3 1243.7091548  595161404683533 3    683434 3      C-13-H3C(O)CH3
  252921.1485  0.0873 -6.0069 3 1243.7092548  595161404683633 4    683534 4      C-13-H3C(O)CH3
  252921.1748  0.0872 -6.0069 3 1243.7092548  595161404683633 3    683534 3      C-13-H3C(O)CH3
  252924.6348  0.0109 -5.1977 3  145.4401376  5951614042315 9 1    2216 6 1      C-13-H3C(O)CH3
  252926.4488  0.0108 -5.1629 3  145.4397376  5951614042315 9 2    2216 6 2      C-13-H3C(O)CH3
  252928.7546  0.6917 -7.1199 3 1718.4004628  595161404785226 3    785128 3      C-13-H3C(O)CH3
  252932.0290  0.2564 -6.3903 3 1613.1713C40  595161404774235 2    774136 2      C-13-H3C(O)CH3
  252939.8217  0.0029 -3.7741 3   48.9387216 -5951614041312 1 2    1211 1 2      C-13-H3C(O)CH3
  252940.7713  0.0816 -5.7058 3 1243.6914A96  595161404683533 1    683434 1      C-13-H3C(O)CH3
  252942.0511  0.4931 -6.6337 3 1718.4100C56  595161404785226 1    785127 1      C-13-H3C(O)CH3
  252946.5412  0.0817 -5.7058 3 1243.6914A96  595161404683633 1    683534 1      C-13-H3C(O)CH3
  252949.0297  0.0873 -5.7058 3 1243.6941A96  595161404683533 2    683434 2      C-13-H3C(O)CH3
  252954.0695  0.0115 -5.6615 3  197.3714212  5951614042620 7 3    2521 4 3      C-13-H3C(O)CH3
  252954.4372  0.0869 -5.7057 3 1243.6941A96  595161404683633 2    683534 2      C-13-H3C(O)CH3
  252959.3223  0.2341 -6.3901 3 1613.1631C40  595161404774235 0    774136 0      C-13-H3C(O)CH3
  252960.3807  0.0611 -5.8557 3 1094.1392492  595161404614616 3    614517 3      C-13-H3C(O)CH3
  252962.7769  0.0142 -5.6605 3  197.4132212  5951614042620 6 4    2521 4 4      C-13-H3C(O)CH3
  252966.4052  0.5260 -6.9266 3 1718.4265628  595161404785226 4    785127 4      C-13-H3C(O)CH3
  252974.6148  0.0814 -5.7057 3 1243.6764A96  595161404683533 0    683434 0      C-13-H3C(O)CH3
  252979.7892  0.0815 -5.7056 3 1243.6764A96  595161404683633 0    683534 0      C-13-H3C(O)CH3
  252986.2174  0.4966 -6.6230 3 1718.3691C56  595161404785227 0    785128 0      C-13-H3C(O)CH3
  252997.2038  0.0061 -6.4315 3   82.8684296  59516140418 9 9 2    18 612 2      C-13-H3C(O)CH3
  253001.0490  0.3472 -7.0277 3 1790.7489652  595161404814636 4    814537 4      C-13-H3C(O)CH3
  253001.0864  0.3466 -7.0277 3 1790.7489652  595161404814636 3    814537 3      C-13-H3C(O)CH3
  253014.2002  0.3438 -6.7266 3 1790.7473D04  595161404814636 1    814537 1      C-13-H3C(O)CH3
  253018.0445  0.0026 -4.3986 3   82.8953148 -59516140418 9 9 3    1710 8 3      C-13-H3C(O)CH3
  253027.0395  0.3479 -6.7266 3 1790.7514D04  595161404814636 2    814537 2      C-13-H3C(O)CH3
  253037.6671  0.0566 -5.8556 3 1094.1417492  595161404614615 3    614516 3      C-13-H3C(O)CH3
  253039.9218  0.3443 -6.7265 3 1790.7498D04  595161404814636 0    814537 0      C-13-H3C(O)CH3
  253045.6786  0.0029 -4.3985 3   82.8947148 -59516140418 9 9 4    1710 8 4      C-13-H3C(O)CH3
  253051.6495  0.0027 -4.0992 3   82.8666296 -59516140418 9 9 2    1710 8 2      C-13-H3C(O)CH3
  253055.4394  0.0545 -5.5544 3 1094.0938984  595161404614616 2    614517 2      C-13-H3C(O)CH3
  253084.1518  0.0060 -6.4326 3   82.8697296  59516140418 9 9 1    18 612 1      C-13-H3C(O)CH3
  253100.0379  0.0491 -5.5543 3 1094.0883984  595161404614616 1    614517 1      C-13-H3C(O)CH3
  253100.4331  0.0536 -5.9952 3  593.4886340  5951614044242 0 3    4241 2 3      C-13-H3C(O)CH3
  253102.7130  0.0026 -4.0981 3   82.8691296 -59516140418 9 9 1    1710 8 1      C-13-H3C(O)CH3
  253103.5399  0.2363 -6.6907 3 1613.1765620  595161404774335 4    774236 4      C-13-H3C(O)CH3
  253103.6288  0.2360 -6.6907 3 1613.1765620  595161404774335 3    774236 3      C-13-H3C(O)CH3
  253104.8166  0.0296 -5.7635 3  365.6250292  595161404362412 3    362115 3      C-13-H3C(O)CH3
  253109.9983  0.0198 -5.3729 3  425.8416632  595161404392514 2    392217 2      C-13-H3C(O)CH3
  253116.1852  0.0046 -4.9543 3  516.3708744  595161404461630 0    461631 0      C-13-H3C(O)CH3
  253116.1852  0.0046 -4.9548 3  516.3708744  595161404461730 0    461531 0      C-13-H3C(O)CH3
  253116.1921  0.0046 -4.7249 3  516.3708744 -595161404461730 0    461631 0      C-13-H3C(O)CH3
  253116.1921  0.0046 -4.7253 3  516.3708744 -595161404461630 0    461531 0      C-13-H3C(O)CH3
  253122.7307  0.0024 -4.0997 3   82.8407296 -59516140418 9 9 0    1710 8 0      C-13-H3C(O)CH3
  253126.8802  0.0027 -3.7733 3   48.8744216 -5951614041312 2 0    1211 1 0      C-13-H3C(O)CH3
  253130.4387  0.2315 -6.3896 3 1613.1683C40  595161404774335 1    774236 1      C-13-H3C(O)CH3
  253131.6703  0.0314 -5.7695 3  365.6252292  595161404362412 4    362115 4      C-13-H3C(O)CH3
  253131.8578  0.0027 -3.7732 3   48.8742216 -5951614041312 1 0    1211 2 0      C-13-H3C(O)CH3
  253139.3412  0.0565 -5.8553 3 1094.1648492  595161404614615 4    614516 4      C-13-H3C(O)CH3
  253144.7951  0.2376 -6.3896 3 1613.1724C40  595161404774335 2    774236 2      C-13-H3C(O)CH3
  253150.9116  0.0056 -5.1449 3  516.3429744 -595161404461630 2    461531 2      C-13-H3C(O)CH3
  253150.9116  0.0056 -5.1588 3  516.3429744 -595161404461730 2    461631 2      C-13-H3C(O)CH3
  253150.9287  0.0056 -4.6380 3  516.3429744  595161404461730 2    461531 2      C-13-H3C(O)CH3
  253150.9287  0.0056 -4.6423 3  516.3429744  595161404461630 2    461631 2      C-13-H3C(O)CH3
  253151.7601  0.0246 -6.9242 3  532.9389712  595161404442619 0    432914 0      C-13-H3C(O)CH3
  253153.3239  0.0054 -4.9484 3  516.3439744 -595161404461730 1    461631 1      C-13-H3C(O)CH3
  253153.3239  0.0054 -4.7286 3  516.3439744 -595161404461630 1    461631 1      C-13-H3C(O)CH3
  253153.4331  0.0054 -4.9482 3  516.3439744  595161404461630 1    461531 1      C-13-H3C(O)CH3
  253153.4331  0.0054 -4.7285 3  516.3439744  595161404461730 1    461531 1      C-13-H3C(O)CH3
  253171.5192  0.2322 -6.3895 3 1613.1643C40  595161404774335 0    774236 0      C-13-H3C(O)CH3
  253188.2218  0.0059 -5.1004 3  516.3160372  595161404461730 4    461631 4      C-13-H3C(O)CH3
  253188.2218  0.0059 -5.1520 3  516.3160372  595161404461730 4    461531 4      C-13-H3C(O)CH3
  253188.2218  0.0059 -5.0959 3  516.3160372  595161404461630 4    461531 4      C-13-H3C(O)CH3
  253188.2218  0.0059 -5.1572 3  516.3160372  595161404461630 4    461631 4      C-13-H3C(O)CH3
  253188.2374  0.0059 -4.9892 3  516.3160372  595161404461730 3    461531 3      C-13-H3C(O)CH3
  253188.2374  0.0059 -5.3251 3  516.3160372  595161404461730 3    461631 3      C-13-H3C(O)CH3
  253188.2374  0.0059 -4.9906 3  516.3160372  595161404461630 3    461631 3      C-13-H3C(O)CH3
  253188.2374  0.0059 -5.3222 3  516.3160372  595161404461630 3    461531 3      C-13-H3C(O)CH3
  253194.8340  0.0122 -5.6611 3  197.3296212  5951614042620 7 4    2521 5 4      C-13-H3C(O)CH3
  253196.7775  0.0567 -5.9953 3  593.5580340  5951614044242 0 4    4241 1 4      C-13-H3C(O)CH3
  253201.8241  0.0168 -6.7400 3  129.4289172  5951614042117 5 4    2114 8 4      C-13-H3C(O)CH3
  253201.8774  0.0530 -5.5541 3 1094.1114984  595161404614615 1    614516 1      C-13-H3C(O)CH3
  253204.8747  0.0110 -5.6602 3  197.3713212  5951614042620 6 3    2521 5 3      C-13-H3C(O)CH3
  253216.9094  0.0197 -5.6732 3  425.8193316  595161404392514 3    392217 3      C-13-H3C(O)CH3
  253221.2690  0.0186 -5.2110 3  729.8182776  5951614044843 6 2    4842 7 2      C-13-H3C(O)CH3
  253233.7922  0.0059 -6.4282 3   82.8370296  59516140418 9 9 0    18 612 0      C-13-H3C(O)CH3
  253234.0812  0.0275 -5.4662 3  365.6433584  595161404362412 2    362115 2      C-13-H3C(O)CH3
  253234.3684  0.0525 -5.5540 3 1094.1192984  595161404614615 2    614516 2      C-13-H3C(O)CH3
  253251.3663  0.0275 -7.0742 3  162.7013196  5951614042417 7 4    2318 6 4      C-13-H3C(O)CH3
  253255.4008  0.0198 -5.6752 3  425.8195316  595161404392514 4    392217 4      C-13-H3C(O)CH3
  253291.5604  0.0254 -5.5118 3  729.8174388  5951614044843 6 4    4842 7 4      C-13-H3C(O)CH3
  253296.6886  0.0528 -5.5538 3 1094.0659984  595161404614615 0    614516 0      C-13-H3C(O)CH3
  253296.6966  0.0528 -5.5538 3 1094.0659984  595161404614616 0    614517 0      C-13-H3C(O)CH3
  253305.6345  0.0027 -4.4227 3  106.4323204  59516140425 224 3    24 223 3      C-13-H3C(O)CH3
  253305.6345  0.0027 -3.9796 3  106.4323204  59516140425 124 3    24 223 3      C-13-H3C(O)CH3
  253305.6587  0.0027 -5.1810 3  106.4323204  59516140425 224 4    24 123 4      C-13-H3C(O)CH3
  253305.6587  0.0027 -5.1810 3  106.4323204  59516140425 124 4    24 223 4      C-13-H3C(O)CH3
  253305.6801  0.0027 -3.8665 3  106.4323204 -59516140425 224 4    24 223 4      C-13-H3C(O)CH3
  253305.6801  0.0027 -4.4227 3  106.4323204 -59516140425 124 3    24 123 3      C-13-H3C(O)CH3
  253305.6801  0.0027 -3.9796 3  106.4323204 -59516140425 224 3    24 123 3      C-13-H3C(O)CH3
  253305.6801  0.0027 -3.8665 3  106.4323204 -59516140425 124 4    24 123 4      C-13-H3C(O)CH3
  253326.4091  0.0028 -3.5804 3  106.3744408  59516140425 224 1    24 223 1      C-13-H3C(O)CH3
  253326.4091  0.0028 -4.6476 3  106.3744408  59516140425 124 1    24 223 1      C-13-H3C(O)CH3
  253326.4767  0.0028 -4.6476 3  106.3744408 -59516140425 224 1    24 123 1      C-13-H3C(O)CH3
  253326.4767  0.0028 -3.5804 3  106.3744408 -59516140425 124 1    24 123 1      C-13-H3C(O)CH3
  253326.4767  0.0027 -3.6487 3  106.3739408 -59516140425 124 2    24 123 2      C-13-H3C(O)CH3
  253326.4767  0.0027 -3.6487 3  106.3739408 -59516140425 224 2    24 223 2      C-13-H3C(O)CH3
  253326.5307  0.0027 -4.2166 3  106.3739408  59516140425 124 2    24 223 2      C-13-H3C(O)CH3
  253326.5307  0.0027 -4.2166 3  106.3739408  59516140425 224 2    24 123 2      C-13-H3C(O)CH3
  253347.2465  0.0025 -3.8445 3  106.3161408  59516140425 224 0    24 123 0      C-13-H3C(O)CH3
  253347.2465  0.0025 -3.8467 3  106.3161408  59516140425 124 0    24 123 0      C-13-H3C(O)CH3
  253347.2674  0.0025 -3.8445 3  106.3161408 -59516140425 124 0    24 223 0      C-13-H3C(O)CH3
  253347.2674  0.0025 -3.8467 3  106.3161408 -59516140425 224 0    24 223 0      C-13-H3C(O)CH3
  253348.5599  0.0171 -5.2109 3  729.8182776  5951614044843 6 0    4842 6 0      C-13-H3C(O)CH3
  253348.5599  0.0171 -5.2109 3  729.8182776  5951614044843 5 0    4842 7 0      C-13-H3C(O)CH3
  253359.8418  0.0310 -5.5639 3  858.5674428  595161404534410 4    534310 4      C-13-H3C(O)CH3
  253360.4834  0.0042 -6.2261 3   15.7746 84  59516140410 2 8 3     9 1 9 3      C-13-H3C(O)CH3
  253360.6583  0.0051 -6.2261 3   15.7746 84  59516140410 2 8 4     9 1 9 4      C-13-H3C(O)CH3
  253361.3554  0.0042 -6.2261 3   15.7746 84  59516140410 3 8 3     9 0 9 3      C-13-H3C(O)CH3
  253361.5169  0.0051 -6.2261 3   15.7746 84  59516140410 3 8 4     9 0 9 4      C-13-H3C(O)CH3
  253370.0417  0.0053 -4.9374 3  145.4277376  5951614042315 9 0    2216 6 0      C-13-H3C(O)CH3
  253373.7155  0.0300 -5.5639 3  858.5596428  595161404534410 3    534311 3      C-13-H3C(O)CH3
  253380.4671  0.0229 -5.5118 3  729.8519388  5951614044843 5 3    4842 6 3      C-13-H3C(O)CH3
  253389.2788  0.0232 -5.2628 3  858.5482856  5951614045344 9 2    534310 2      C-13-H3C(O)CH3
  253391.0372  0.0187 -5.2108 3  729.8353776  5951614044843 5 2    4842 6 2      C-13-H3C(O)CH3
  253399.6685  0.0293 -5.5639 3  858.5747428  5951614045344 9 3    534310 3      C-13-H3C(O)CH3
  253403.8027  0.0232 -5.2629 3  858.5404856  595161404534410 2    534311 2      C-13-H3C(O)CH3
  253414.0017  0.0303 -5.5639 3  858.5667428  5951614045344 9 4    534311 4      C-13-H3C(O)CH3
  253419.3661  0.0194 -5.2106 3  729.8174776  5951614044843 6 1    4842 7 1      C-13-H3C(O)CH3
  253460.8781  0.0243 -5.5115 3  729.8344388  5951614044843 6 3    4842 7 3      C-13-H3C(O)CH3
  253498.6267  0.0236 -5.2626 3  858.5375856  595161404534410 1    534311 1      C-13-H3C(O)CH3
  253508.8239  0.0177 -5.2106 3  729.8518776  5951614044843 5 1    4842 6 1      C-13-H3C(O)CH3
  253527.7612  0.0201 -5.2626 3  858.5183856  595161404534410 0    534311 0      C-13-H3C(O)CH3
  253527.7612  0.0201 -5.2626 3  858.5183856  5951614045344 9 0    534310 0      C-13-H3C(O)CH3
  253538.8998  0.0234 -5.2626 3  858.5447856  5951614045344 9 1    534310 1      C-13-H3C(O)CH3
  253551.2034  0.0249 -5.5115 3  729.8688388  5951614044843 5 4    4842 6 4      C-13-H3C(O)CH3
  253581.7123  0.1883 -6.3607 3 1404.5217564  595161404704922 4    704823 4      C-13-H3C(O)CH3
  253645.5047  0.0055 -5.9234 3   15.7006168  59516140410 2 8 2     9 1 9 2      C-13-H3C(O)CH3
  253646.4107  0.0055 -5.9234 3   15.7006168  59516140410 3 8 2     9 0 9 2      C-13-H3C(O)CH3
  253648.5390  0.0054 -5.9236 3   15.7011168  59516140410 2 8 1     9 1 9 1      C-13-H3C(O)CH3
  253649.4220  0.0054 -5.9236 3   15.7011168  59516140410 3 8 1     9 0 9 1      C-13-H3C(O)CH3
  253697.8259  0.0099 -5.3002 3  145.4136188  5951614042315 9 3    2216 6 3      C-13-H3C(O)CH3
  253711.4215  0.0420 -5.6883 3  972.2706460  595161404574513 4    574414 4      C-13-H3C(O)CH3
  253731.1473  0.0893 -6.0078 3 1192.9503516  595161404644718 4    644619 4      C-13-H3C(O)CH3
  253733.2728  0.0397 -5.6882 3  972.2811460  595161404574513 3    574414 3      C-13-H3C(O)CH3
  253777.2339  0.2110 -6.0591 3 1404.5061B28  595161404704922 1    704823 1      C-13-H3C(O)CH3
  253799.7227  0.1666 -6.3603 3 1404.5491564  595161404704922 3    704823 3      C-13-H3C(O)CH3
  253804.5907  0.0406 -5.6881 3  972.2905460  595161404574512 3    574413 3      C-13-H3C(O)CH3
  253811.7740  0.0326 -5.3870 3  972.2472920  595161404574513 2    574414 2      C-13-H3C(O)CH3
  253816.0565  0.0233 -6.8345 3  154.2349188  5951614042318 6 4    2315 8 4      C-13-H3C(O)CH3
  253826.2721  0.0405 -5.6880 3  972.3010460  595161404574512 4    574413 4      C-13-H3C(O)CH3
  253842.3772  0.0104 -4.9074 3  782.4337888  595161404552431 0    552332 0      C-13-H3C(O)CH3
  253842.3779  0.0104 -4.9074 3  782.4337888  595161404552531 0    552432 0      C-13-H3C(O)CH3
  253844.6643  0.1667 -6.3602 3 1404.5539564  595161404704921 3    704822 3      C-13-H3C(O)CH3
  253854.0641  0.0347 -5.3050 3 1019.5878A00  595161404623032 1    622933 1      C-13-H3C(O)CH3
  253854.2249  0.0347 -5.3050 3 1019.5878A00  595161404623132 1    623033 1      C-13-H3C(O)CH3
  253854.8732  0.0334 -5.3050 3 1019.5752A00  595161404623032 0    622933 0      C-13-H3C(O)CH3
  253855.0116  0.0334 -5.3050 3 1019.5752A00  595161404623132 0    623033 0      C-13-H3C(O)CH3
  253857.7213  0.0412 -5.6060 3 1019.6019500  595161404623032 3    622933 3      C-13-H3C(O)CH3
  253857.7779  0.0413 -5.6060 3 1019.6019500  595161404623032 4    622933 4      C-13-H3C(O)CH3
  253857.8969  0.0412 -5.6060 3 1019.6019500  595161404623132 3    623033 3      C-13-H3C(O)CH3
  253857.9525  0.0413 -5.6060 3 1019.6019500  595161404623132 4    623033 4      C-13-H3C(O)CH3
  253858.5032  0.0403 -5.3050 3 1019.5892A00  595161404623032 2    622933 2      C-13-H3C(O)CH3
  253858.6543  0.0403 -5.3050 3 1019.5892A00  595161404623132 2    623033 2      C-13-H3C(O)CH3
  253874.1002  0.0042 -4.4909 3  488.7473728  595161404451530 0    451531 0      C-13-H3C(O)CH3
  253874.1002  0.0042 -4.4934 3  488.7473728  595161404451630 0    451431 0      C-13-H3C(O)CH3
  253874.1002  0.0042 -7.0798 3  488.7473728  595161404451630 0    451531 0      C-13-H3C(O)CH3
  253874.1002  0.0042 -6.5628 3  488.7473728  595161404451530 0    451431 0      C-13-H3C(O)CH3
  253884.8074  0.0119 -4.9072 3  782.4310888  595161404552431 1    552332 1      C-13-H3C(O)CH3
  253884.8082  0.0119 -4.9072 3  782.4310888  595161404552531 1    552432 1      C-13-H3C(O)CH3
  253885.9748  0.0156 -4.9072 3  782.4308888  595161404552431 2    552332 2      C-13-H3C(O)CH3
  253885.9756  0.0156 -4.9072 3  782.4308888  595161404552531 2    552432 2      C-13-H3C(O)CH3
  253886.5432  0.0863 -6.0075 3 1192.9797516  595161404644718 3    644618 3      C-13-H3C(O)CH3
  253892.6249  0.1989 -6.0588 3 1404.5021B28  595161404704922 2    704823 2      C-13-H3C(O)CH3
  253898.4838  0.0052 -5.5797 3  488.7182728  595161404451530 2    451531 2      C-13-H3C(O)CH3
  253898.4838  0.0052 -5.6266 3  488.7182728  595161404451630 2    451431 2      C-13-H3C(O)CH3
  253898.4905  0.0052 -4.5266 3  488.7182728 -595161404451530 2    451431 2      C-13-H3C(O)CH3
  253898.4905  0.0052 -4.5227 3  488.7182728 -595161404451630 2    451531 2      C-13-H3C(O)CH3
  253901.1423  0.0052 -4.4929 3  488.7192728 -595161404451630 1    451531 1      C-13-H3C(O)CH3
  253901.1423  0.0052 -4.4929 3  488.7192728 -595161404451530 1    451431 1      C-13-H3C(O)CH3
  253901.2359  0.0052 -6.6360 3  488.7192728  595161404451530 1    451531 1      C-13-H3C(O)CH3
  253901.2359  0.0052 -6.6360 3  488.7192728  595161404451630 1    451431 1      C-13-H3C(O)CH3
  253904.3766  0.0322 -5.3868 3  972.2671920  595161404574512 2    574413 2      C-13-H3C(O)CH3
  253916.8872  0.0315 -5.3868 3  972.2448920  595161404574513 1    574414 1      C-13-H3C(O)CH3
  253925.6129  0.0056 -6.2440 3  488.6900364  595161404451530 4    451531 4      C-13-H3C(O)CH3
  253925.6129  0.0056 -6.2440 3  488.6900364  595161404451630 4    451431 4      C-13-H3C(O)CH3
  253925.6664  0.0056 -5.2432 3  488.6900364  595161404451530 3    451431 3      C-13-H3C(O)CH3
  253925.6664  0.0056 -5.2830 3  488.6900364  595161404451630 3    451531 3      C-13-H3C(O)CH3
  253925.6677  0.0056 -4.8062 3  488.6900364 -595161404451630 4    451531 4      C-13-H3C(O)CH3
  253925.6677  0.0056 -4.9796 3  488.6900364 -595161404451530 3    451531 3      C-13-H3C(O)CH3
  253925.6677  0.0056 -4.9593 3  488.6900364 -595161404451630 3    451431 3      C-13-H3C(O)CH3
  253925.6677  0.0056 -4.8062 3  488.6900364 -595161404451530 4    451431 4      C-13-H3C(O)CH3
  253928.4788  0.0158 -5.2080 3  782.4281444  595161404552431 3    552332 3      C-13-H3C(O)CH3
  253928.4798  0.0158 -5.2080 3  782.4281444  595161404552531 3    552432 3      C-13-H3C(O)CH3
  253928.5987  0.0159 -5.2080 3  782.4280444  595161404552431 4    552332 4      C-13-H3C(O)CH3
  253928.5997  0.0159 -5.2080 3  782.4280444  595161404552531 4    552432 4      C-13-H3C(O)CH3
  253932.9830  0.0058 -5.9219 3   15.6273168  59516140410 2 8 0     9 1 9 0      C-13-H3C(O)CH3
  253933.9068  0.0058 -5.9219 3   15.6273168  59516140410 3 8 0     9 0 9 0      C-13-H3C(O)CH3
  253938.4192  0.0294 -5.3866 3  972.2553920  595161404574512 1    574413 1      C-13-H3C(O)CH3
  253942.1594  0.0755 -6.0074 3 1192.9782516  595161404644717 3    644619 3      C-13-H3C(O)CH3
  253953.1518  0.0296 -7.0082 3  559.3491728  595161404452719 0    443014 0      C-13-H3C(O)CH3
  253957.0604  0.0078 -5.5859 3  166.4034204  595161404251412 4    2415 9 4      C-13-H3C(O)CH3
  253968.9807  0.0098 -5.5857 3  166.4031204  595161404251412 3    2415 9 3      C-13-H3C(O)CH3
  253973.9506  0.0795 -5.7061 3 1192.9247A32  595161404644718 1    644619 1      C-13-H3C(O)CH3
  253980.9548  0.0843 -5.7061 3 1192.9292A32  595161404644718 2    644619 2      C-13-H3C(O)CH3
  254003.0317  0.1282 -6.1763 3 1296.4133540  595161404674820 4    674721 4      C-13-H3C(O)CH3
  254016.3058  0.0279 -5.3865 3  972.2214920  595161404574512 0    574413 0      C-13-H3C(O)CH3
  254016.3059  0.0279 -5.3865 3  972.2214920  595161404574513 0    574414 0      C-13-H3C(O)CH3
  254039.9601  0.2140 -6.0585 3 1404.5384B28  595161404704921 1    704822 1      C-13-H3C(O)CH3
  254062.0585  0.1693 -6.3597 3 1404.5814564  595161404704921 4    704822 4      C-13-H3C(O)CH3
  254086.3153  0.2243 -6.0583 3 1404.4868B28  595161404704921 0    704822 0      C-13-H3C(O)CH3
  254090.2147  0.2243 -6.0583 3 1404.4866B28  595161404704922 0    704823 0      C-13-H3C(O)CH3
  254096.8992  0.0791 -6.0070 3 1193.0078516  595161404644717 4    644618 4      C-13-H3C(O)CH3
  254102.4419  0.0071 -5.2827 3  166.4046408  595161404251412 1    2415 9 1      C-13-H3C(O)CH3
  254108.6720  0.0069 -7.1075 3  174.8806408  5951614042517 8 1    251412 1      C-13-H3C(O)CH3
  254110.3845  0.1937 -6.0584 3 1404.5296B28  595161404704921 2    704822 2      C-13-H3C(O)CH3
  254128.9939  0.0899 -5.7058 3 1192.9542A32  595161404644717 1    644618 1      C-13-H3C(O)CH3
  254191.4813  0.0819 -5.7057 3 1192.9573A32  595161404644717 2    644618 2      C-13-H3C(O)CH3
  254212.7278  0.1199 -6.1758 3 1296.4459540  595161404674819 3    674720 3      C-13-H3C(O)CH3
  254219.5627  0.0086 -7.0632 3  174.8745204  5951614042517 8 4    251412 4      C-13-H3C(O)CH3
  254223.3293  0.0902 -5.7055 3 1192.9038A32  595161404644717 0    644618 0      C-13-H3C(O)CH3
  254223.4028  0.0902 -5.7055 3 1192.9037A32  595161404644718 0    644619 0      C-13-H3C(O)CH3
  254227.2837  0.1070 -6.1758 3 1296.4418540  595161404674820 3    674721 3      C-13-H3C(O)CH3
  254229.3877  0.1317 -5.8746 3 1296.3919A80  595161404674820 1    674721 1      C-13-H3C(O)CH3
  254257.3267  0.0097 -6.1034 3  145.3950188  5951614042315 9 3    2216 7 3      C-13-H3C(O)CH3
  254290.4605  0.0071 -5.2766 3  166.3937408  595161404251412 2    2415 9 2      C-13-H3C(O)CH3
  254291.7632  0.1310 -5.8745 3 1296.3932A80  595161404674820 2    674721 2      C-13-H3C(O)CH3
  254313.4111  0.0036 -4.7521 3   51.2864116 -5951614041410 5 4    13 9 5 4      C-13-H3C(O)CH3
  254329.8764  0.0053 -4.4526 3   58.5514124 -5951614041510 6 4    14 9 5 4      C-13-H3C(O)CH3
  254384.4078  0.0090 -5.3275 3  145.3911376  5951614042315 9 2    2216 7 2      C-13-H3C(O)CH3
  254402.7560  0.0033 -4.4726 3  107.9166212  59516140426 126 4    25 025 4      C-13-H3C(O)CH3
  254402.7560  0.0034 -4.1464 3  107.9166212  59516140426 126 3    25 025 3      C-13-H3C(O)CH3
  254402.7560  0.0033 -4.4726 3  107.9166212  59516140426 026 4    25 125 4      C-13-H3C(O)CH3
  254402.7560  0.0034 -4.0701 3  107.9166212  59516140426 026 3    25 025 3      C-13-H3C(O)CH3
  254402.7826  0.0033 -3.9108 3  107.9166212 -59516140426 126 4    25 125 4      C-13-H3C(O)CH3
  254402.7826  0.0034 -4.0701 3  107.9166212 -59516140426 126 3    25 125 3      C-13-H3C(O)CH3
  254402.7826  0.0034 -4.1464 3  107.9166212 -59516140426 026 3    25 125 3      C-13-H3C(O)CH3
  254402.7826  0.0033 -3.9108 3  107.9166212 -59516140426 026 4    25 025 4      C-13-H3C(O)CH3
  254408.6101  0.0038 -3.5131 3  107.8466424  59516140426 026 1    25 025 1      C-13-H3C(O)CH3
  254408.6101  0.0038 -3.5131 3  107.8466424  59516140426 126 1    25 125 1      C-13-H3C(O)CH3
  254408.6836  0.0038 -5.2059 3  107.8466424 -59516140426 026 1    25 125 1      C-13-H3C(O)CH3
  254408.6836  0.0036 -3.5857 3  107.8462424 -59516140426 026 2    25 125 2      C-13-H3C(O)CH3
  254408.6836  0.0038 -5.2059 3  107.8466424 -59516140426 126 1    25 025 1      C-13-H3C(O)CH3
  254408.6836  0.0036 -4.2719 3  107.8462424 -59516140426 126 2    25 125 2      C-13-H3C(O)CH3
  254408.7278  0.0036 -3.5857 3  107.8462424  59516140426 126 2    25 025 2      C-13-H3C(O)CH3
  254408.7278  0.0036 -4.2719 3  107.8462424  59516140426 026 2    25 025 2      C-13-H3C(O)CH3
  254414.5624  0.0034 -3.5175 3  107.7764424  59516140426 026 0    25 125 0      C-13-H3C(O)CH3
  254414.5624  0.0034 -3.5175 3  107.7764424  59516140426 126 0    25 025 0      C-13-H3C(O)CH3
  254414.6050  0.0034 -5.0240 3  107.7764424 -59516140426 126 0    25 125 0      C-13-H3C(O)CH3
  254414.6050  0.0034 -5.0240 3  107.7764424 -59516140426 026 0    25 025 0      C-13-H3C(O)CH3
  254416.7142  0.0129 -6.4887 3  129.4305344  5951614042117 5 1    2114 8 1      C-13-H3C(O)CH3
  254426.3431  0.0052 -5.2747 3  166.3953408  595161404251412 0    2415 9 0      C-13-H3C(O)CH3
  254436.3189  0.1140 -6.1754 3 1296.4745540  595161404674819 4    674720 4      C-13-H3C(O)CH3
  254438.7863  0.1437 -5.8742 3 1296.4246A80  595161404674819 1    674720 1      C-13-H3C(O)CH3
  254453.4138  0.0204 -5.2369 3  707.2414760  5951614044743 5 2    4742 6 2      C-13-H3C(O)CH3
  254515.6647  0.1274 -5.8740 3 1296.4218A80  595161404674819 2    674720 2      C-13-H3C(O)CH3
  254517.6947  0.1472 -5.8739 3 1296.3720A80  595161404674819 0    674720 0      C-13-H3C(O)CH3
  254518.2695  0.1472 -5.8739 3 1296.3720A80  595161404674820 0    674721 0      C-13-H3C(O)CH3
  254556.3443  0.0277 -5.5376 3  707.2372380  5951614044743 5 4    4742 6 4      C-13-H3C(O)CH3
  254564.8656  0.0182 -5.2369 3  707.2490760  5951614044743 4 0    4742 5 0      C-13-H3C(O)CH3
  254564.8656  0.0182 -5.2369 3  707.2490760  5951614044743 5 0    4742 6 0      C-13-H3C(O)CH3
  254585.5024  0.0040 -5.1759 3  461.7048712 -595161404441430 0    441331 0      C-13-H3C(O)CH3
  254585.5024  0.0040 -4.4597 3  461.7048712 -595161404441530 0    441431 0      C-13-H3C(O)CH3
  254585.5723  0.0040 -4.5518 3  461.7048712  595161404441530 0    441331 0      C-13-H3C(O)CH3
  254596.8077  0.0050 -4.5656 3  461.6751712  595161404441430 2    441431 2      C-13-H3C(O)CH3
  254596.8077  0.0050 -4.5656 3  461.6751712  595161404441530 2    441331 2      C-13-H3C(O)CH3
  254596.8077  0.0050 -5.1216 3  461.6751712  595161404441430 2    441331 2      C-13-H3C(O)CH3
  254596.8077  0.0050 -5.1216 3  461.6751712  595161404441530 2    441431 2      C-13-H3C(O)CH3
  254599.5555  0.0051 -6.5821 3  461.6761712 -595161404441430 1    441331 1      C-13-H3C(O)CH3
  254599.5555  0.0051 -6.4037 3  461.6761712 -595161404441530 1    441431 1      C-13-H3C(O)CH3
  254599.7611  0.0051 -4.4721 3  461.6761712  595161404441530 1    441331 1      C-13-H3C(O)CH3
  254599.7611  0.0051 -4.4693 3  461.6761712  595161404441430 1    441431 1      C-13-H3C(O)CH3
  254610.9304  0.0053 -5.7989 3  461.6463356  595161404441430 4    441431 4      C-13-H3C(O)CH3
  254610.9304  0.0053 -5.7989 3  461.6463356  595161404441530 4    441331 4      C-13-H3C(O)CH3
  254611.0092  0.0053 -4.8017 3  461.6463356 -595161404441530 4    441431 4      C-13-H3C(O)CH3
  254611.0092  0.0053 -4.8141 3  461.6463356 -595161404441530 3    441431 3      C-13-H3C(O)CH3
  254611.0092  0.0053 -4.8017 3  461.6463356 -595161404441430 4    441331 4      C-13-H3C(O)CH3
  254611.0092  0.0053 -4.8141 3  461.6463356 -595161404441430 3    441331 3      C-13-H3C(O)CH3
  254611.0249  0.0053 -5.6916 3  461.6463356  595161404441430 3    441431 3      C-13-H3C(O)CH3
  254611.0249  0.0053 -5.6916 3  461.6463356  595161404441530 3    441331 3      C-13-H3C(O)CH3
  254647.1426  0.0258 -5.5376 3  707.2781380  5951614044743 4 3    4742 5 3      C-13-H3C(O)CH3
  254660.5160  0.0201 -5.2367 3  707.2660760  5951614044743 4 2    4742 5 2      C-13-H3C(O)CH3
  254668.3648  0.0209 -5.2365 3  707.2448760  5951614044743 5 1    4742 6 1      C-13-H3C(O)CH3
  254670.5051  0.0052 -4.4274 3   58.5479124 -5951614041510 6 3    14 9 5 3      C-13-H3C(O)CH3
  254677.3563  0.0174 -6.8453 3  129.4378172  5951614042117 5 3    2114 8 3      C-13-H3C(O)CH3
  254734.5201  0.0019 -6.7421 3   51.3002116  5951614041410 5 3    13 9 5 3      C-13-H3C(O)CH3
  254737.4706  0.0087 -5.2807 3  145.3796376  5951614042315 9 1    2216 7 1      C-13-H3C(O)CH3
  254759.6186  0.0194 -5.2365 3  707.2857760  5951614044743 4 1    4742 5 1      C-13-H3C(O)CH3
  254760.6763  0.0097 -6.4349 3  380.7547308  595161404381820 3    372117 3      C-13-H3C(O)CH3
  254761.1702  0.0098 -6.4349 3  380.7547308  595161404381820 4    372117 4      C-13-H3C(O)CH3
  254763.2287  0.0265 -5.5373 3  707.2617380  5951614044743 5 3    4742 6 3      C-13-H3C(O)CH3
  254767.5183  0.0028 -4.8091 3   51.2573232 -5951614041410 5 1    13 9 5 1      C-13-H3C(O)CH3
  254773.2473  0.0096 -6.1345 3  380.7830616  595161404381820 1    372117 1      C-13-H3C(O)CH3
  254800.5463  0.0129 -6.5091 3  129.4317344  5951614042117 5 2    2114 8 2      C-13-H3C(O)CH3
  254806.4205  0.0074 -6.7328 3   82.9012148  5951614041810 9 4    18 712 4      C-13-H3C(O)CH3
  254810.9443  0.0054 -6.7328 3   82.9012148  5951614041810 9 3    18 712 3      C-13-H3C(O)CH3
  254814.1793  0.0324 -6.8520 3  309.4444504  5951614043129 2 1    3030 0 1      C-13-H3C(O)CH3
  254827.6655  0.6195 -7.0851 3 1804.1033644  595161404805328 4    805229 4      C-13-H3C(O)CH3
  254830.8922  0.0030 -4.9034 3   51.2586232 -5951614041410 5 2    13 9 5 2      C-13-H3C(O)CH3
  254837.2823  0.0049 -4.1322 3   58.5089248 -5951614041510 6 1    14 9 5 1      C-13-H3C(O)CH3
  254839.1306  0.0098 -6.1319 3  380.7773616  595161404381820 2    372117 2      C-13-H3C(O)CH3
  254851.1282  0.0084 -6.1325 3  380.8056616  595161404381820 0    372117 0      C-13-H3C(O)CH3
  254855.6226  0.0280 -5.5373 3  707.3025380  5951614044743 4 4    4742 5 4      C-13-H3C(O)CH3
  254872.9390  0.0175 -6.9170 3  129.4378172  5951614042117 4 3    2114 8 3      C-13-H3C(O)CH3
  254901.4897  0.0325 -6.8507 3  309.4887504  5951614043129 2 0    3030 1 0      C-13-H3C(O)CH3
  254901.4897  0.0325 -6.8507 3  309.4887504  5951614043129 3 0    3030 0 0      C-13-H3C(O)CH3
  254928.6687  0.6944 -6.8044 3 1804.1156C88  595161404805328 1    805229 1      C-13-H3C(O)CH3
  254988.4249  0.0054 -4.1289 3   58.5042248 -5951614041510 6 2    14 9 5 2      C-13-H3C(O)CH3
  255022.3421  0.0055 -6.4273 3   82.8684296  5951614041810 9 2    18 712 2      C-13-H3C(O)CH3
  255022.6275  0.0294 -5.5504 3  833.4834420  5951614045244 9 4    524310 4      C-13-H3C(O)CH3
  255029.8615  0.0217 -5.2495 3  833.4684840  5951614045244 8 2    5243 9 2      C-13-H3C(O)CH3
  255030.9580  0.5898 -6.7782 3 1804.1077C88  595161404805327 0    805228 0      C-13-H3C(O)CH3
  255066.5434  0.0091 -4.8528 3  749.6040872  595161404542331 0    542232 0      C-13-H3C(O)CH3
  255066.5436  0.0091 -4.8528 3  749.6040872  595161404542431 0    542332 0      C-13-H3C(O)CH3
  255068.5614  0.0054 -6.4284 3   82.8697296  5951614041810 9 1    18 712 1      C-13-H3C(O)CH3
  255077.8981  0.0270 -5.5505 3  833.4961420  5951614045244 8 3    5243 9 3      C-13-H3C(O)CH3
  255078.8006  0.0287 -5.5504 3  833.4798420  5951614045244 9 3    524310 3      C-13-H3C(O)CH3
  255085.8795  0.0117 -5.8197 3  261.0255504  595161404311714 2    302011 2      C-13-H3C(O)CH3
  255086.6572  0.0221 -5.2494 3  833.4648840  5951614045244 9 2    524310 2      C-13-H3C(O)CH3
  255107.0357  0.4915 -6.9835 3 1927.4682D52  595161404844737 1    844638 1      C-13-H3C(O)CH3
  255114.2622  0.0103 -4.8525 3  749.5980872  595161404542331 1    542232 1      C-13-H3C(O)CH3
  255114.2625  0.0103 -4.8525 3  749.5980872  595161404542431 1    542332 1      C-13-H3C(O)CH3
  255114.8099  0.3457 -6.7009 3 1597.8215604  595161404755125 4    755026 4      C-13-H3C(O)CH3
  255114.9960  0.0135 -4.8525 3  749.5978872  595161404542331 2    542232 2      C-13-H3C(O)CH3
  255114.9963  0.0135 -4.8525 3  749.5978872  595161404542431 2    542332 2      C-13-H3C(O)CH3
  255116.5019  0.0159 -6.4906 3  154.2325376  5951614042318 6 1    2315 8 1      C-13-H3C(O)CH3
  255120.8047  0.5870 -6.7923 3 1804.0882C88  595161404805328 2    805229 2      C-13-H3C(O)CH3
  255121.4206  0.1373 -6.2902 3 1401.4090580  595161404723834 4    723735 4      C-13-H3C(O)CH3
  255121.4634  0.1373 -6.2902 3 1401.4089580  595161404723834 3    723735 3      C-13-H3C(O)CH3
  255124.1928  0.6254 -6.7925 3 1804.1139C88  595161404805327 2    805228 2      C-13-H3C(O)CH3
  255134.7716  0.0285 -5.5504 3  833.4924420  5951614045244 8 4    5243 9 4      C-13-H3C(O)CH3
  255147.2707  0.1355 -6.2901 3 1401.4091580  595161404723934 4    723835 4      C-13-H3C(O)CH3
  255147.3363  0.1354 -6.2901 3 1401.4090580  595161404723934 3    723835 3      C-13-H3C(O)CH3
  255149.0773  0.0314 -6.8506 3  309.4270504  5951614043129 2 2    3030 0 2      C-13-H3C(O)CH3
  255154.2764  0.1311 -5.9891 3 1401.3937B60  595161404723834 1    723735 1      C-13-H3C(O)CH3
  255162.7935  0.0136 -5.1533 3  749.5918436  595161404542331 3    542232 3      C-13-H3C(O)CH3
  255162.7939  0.0136 -5.1533 3  749.5918436  595161404542431 3    542332 3      C-13-H3C(O)CH3
  255162.9147  0.0137 -5.1533 3  749.5917436  595161404542331 4    542232 4      C-13-H3C(O)CH3
  255162.9150  0.0137 -5.1533 3  749.5917436  595161404542431 4    542332 4      C-13-H3C(O)CH3
  255165.5437  0.0226 -5.2492 3  833.4597840  5951614045244 9 1    524310 1      C-13-H3C(O)CH3
  255166.4249  0.1381 -5.9891 3 1401.3971B60  595161404723834 2    723735 2      C-13-H3C(O)CH3
  255167.0343  0.4940 -6.9834 3 1927.4752D52  595161404844737 0    844638 0      C-13-H3C(O)CH3
  255172.3635  0.0191 -5.2492 3  833.4446840  5951614045244 9 0    524310 0      C-13-H3C(O)CH3
  255172.3635  0.0191 -5.2492 3  833.4446840  5951614045244 8 0    5243 9 0      C-13-H3C(O)CH3
  255179.5728  0.1315 -5.9890 3 1401.3938B60  595161404723934 1    723835 1      C-13-H3C(O)CH3
  255182.5536  0.5882 -6.9833 3 1927.4724D52  595161404844737 2    844638 2      C-13-H3C(O)CH3
  255190.0712  0.1363 -5.9890 3 1401.3972B60  595161404723934 2    723835 2      C-13-H3C(O)CH3
  255193.6563  0.5924 -6.8038 3 1804.1360C88  595161404805327 1    805228 1      C-13-H3C(O)CH3
  255199.1636  0.1315 -5.9889 3 1401.3819B60  595161404723834 0    723735 0      C-13-H3C(O)CH3
  255208.6063  0.6472 -7.0843 3 1804.1456644  595161404805327 4    805228 4      C-13-H3C(O)CH3
  255221.2737  0.0215 -5.2492 3  833.4724840  5951614045244 8 1    5243 9 1      C-13-H3C(O)CH3
  255222.2725  0.1319 -5.9888 3 1401.3820B60  595161404723934 0    723835 0      C-13-H3C(O)CH3
  255224.5024  0.0056 -4.5071 3   41.8347216 -59516140413 8 5 2    12 7 6 2      C-13-H3C(O)CH3
  255226.2316  0.0354 -6.8499 3  309.4070504  5951614043129 3 1    3030 1 1      C-13-H3C(O)CH3
  255232.4680  0.0108 -5.8174 3  261.0446504  595161404311714 0    302011 0      C-13-H3C(O)CH3
  255239.3223  0.0056 -4.8112 3   41.8840108  59516140413 8 5 3    12 7 6 3      C-13-H3C(O)CH3
  255247.0736  0.0051 -5.7157 3  435.1863348  595161404431330 4    431331 4      C-13-H3C(O)CH3
  255247.0736  0.0051 -5.7157 3  435.1863348  595161404431430 4    431231 4      C-13-H3C(O)CH3
  255247.0736  0.0051 -4.7805 3  435.1863348  595161404431430 4    431331 4      C-13-H3C(O)CH3
  255247.0736  0.0051 -4.7805 3  435.1863348  595161404431330 4    431231 4      C-13-H3C(O)CH3
  255247.2105  0.0050 -5.3449 3  435.1863348  595161404431430 3    431231 3      C-13-H3C(O)CH3
  255247.2105  0.0050 -4.8544 3  435.1863348  595161404431430 3    431331 3      C-13-H3C(O)CH3
  255247.2105  0.0050 -4.8544 3  435.1863348  595161404431330 3    431231 3      C-13-H3C(O)CH3
  255247.2105  0.0050 -5.3449 3  435.1863348  595161404431330 3    431331 3      C-13-H3C(O)CH3
  255248.9779  0.0049 -4.4327 3  435.2149696 -595161404431430 2    431331 2      C-13-H3C(O)CH3
  255248.9779  0.0049 -4.4327 3  435.2149696 -595161404431330 2    431231 2      C-13-H3C(O)CH3
  255248.9854  0.0049 -7.1038 3  435.2149696  595161404431430 2    431231 2      C-13-H3C(O)CH3
  255248.9854  0.0049 -7.1038 3  435.2149696  595161404431330 2    431331 2      C-13-H3C(O)CH3
  255252.0884  0.0050 -4.9883 3  435.2158696  595161404431430 1    431331 1      C-13-H3C(O)CH3
  255252.0884  0.0050 -4.5731 3  435.2158696  595161404431330 1    431331 1      C-13-H3C(O)CH3
  255252.0884  0.0050 -4.9883 3  435.2158696  595161404431330 1    431231 1      C-13-H3C(O)CH3
  255252.0884  0.0050 -4.5731 3  435.2158696  595161404431430 1    431231 1      C-13-H3C(O)CH3
  255252.2624  0.3961 -6.3997 3 1597.8201C08  595161404755125 1    755026 1      C-13-H3C(O)CH3
  255253.8143  0.0039 -5.9769 3  435.2444696 -595161404431330 0    431331 0      C-13-H3C(O)CH3
  255253.8143  0.0039 -5.8276 3  435.2444696 -595161404431430 0    431231 0      C-13-H3C(O)CH3
  255253.8677  0.0039 -4.4351 3  435.2444696  595161404431330 0    431231 0      C-13-H3C(O)CH3
  255253.8677  0.0039 -4.4677 3  435.2444696  595161404431430 0    431331 0      C-13-H3C(O)CH3
  255266.5741  0.0759 -5.9285 3 1203.5087540  595161404673433 4    673334 4      C-13-H3C(O)CH3
  255266.5773  0.0759 -5.9285 3 1203.5086540  595161404673433 3    673334 3      C-13-H3C(O)CH3
  255268.9595  0.0758 -5.9285 3 1203.5087540  595161404673533 4    673434 4      C-13-H3C(O)CH3
  255268.9686  0.0757 -5.9285 3 1203.5086540  595161404673533 3    673434 3      C-13-H3C(O)CH3
  255281.6444  0.3730 -6.7337 3 1597.8474604  595161404755125 3    755026 3      C-13-H3C(O)CH3
  255281.9235  0.0053 -6.4239 3   82.8371296  5951614041810 9 0    18 712 0      C-13-H3C(O)CH3
  255286.0173  0.0054 -4.5045 3   41.7872216 -59516140413 8 5 0    12 7 6 0      C-13-H3C(O)CH3
  255287.3463  0.0701 -5.6274 3 1203.4907A80  595161404673433 1    673334 1      C-13-H3C(O)CH3
  255289.6184  0.0701 -5.6274 3 1203.4907A80  595161404673533 1    673434 1      C-13-H3C(O)CH3
  255293.9044  0.0257 -6.3023 3  283.6399488  5951614043027 4 0    2928 2 0      C-13-H3C(O)CH3
  255293.9044  0.0257 -6.3023 3  283.6399488  5951614043027 3 0    2928 1 0      C-13-H3C(O)CH3
  255294.4832  0.0754 -5.6274 3 1203.4931A80  595161404673433 2    673334 2      C-13-H3C(O)CH3
  255296.6037  0.0752 -5.6274 3 1203.4931A80  595161404673533 2    673434 2      C-13-H3C(O)CH3
  255301.6643  0.5821 -6.7773 3 1804.0972C88  595161404805328 0    805229 0      C-13-H3C(O)CH3
  255315.2341  0.0697 -5.6273 3 1203.4752A80  595161404673433 0    673334 0      C-13-H3C(O)CH3
  255317.2474  0.0697 -5.6273 3 1203.4752A80  595161404673533 0    673434 0      C-13-H3C(O)CH3
  255318.1295  0.0072 -4.8136 3   41.8833108  59516140413 8 5 4    12 7 6 4      C-13-H3C(O)CH3
  255320.2447  0.0142 -6.1222 3  261.0033252  595161404311714 3    302011 3      C-13-H3C(O)CH3
  255322.7702  0.0187 -6.8489 3  670.8741824  595161404512229 1    502526 1      C-13-H3C(O)CH3
  255323.9819  0.0187 -6.8489 3  670.8741824  595161404512329 1    502426 1      C-13-H3C(O)CH3
  255326.0107  0.0040 -4.1215 3   58.4636248 -5951614041510 6 0    14 9 5 0      C-13-H3C(O)CH3
  255326.8547  0.0251 -6.3031 3  283.5828488  5951614043027 3 1    2928 1 1      C-13-H3C(O)CH3
  255336.4540  0.0216 -6.8476 3  670.8729824  595161404512229 2    502526 2      C-13-H3C(O)CH3
  255337.6792  0.0216 -6.8476 3  670.8729824  595161404512329 2    502426 2      C-13-H3C(O)CH3
  255338.5619  0.0056 -4.5087 3   41.8360216 -59516140413 8 5 1    12 7 6 1      C-13-H3C(O)CH3
  255351.4916  0.0150 -6.8490 3  670.8837824  595161404512229 0    502526 0      C-13-H3C(O)CH3
  255352.6072  0.0150 -6.8490 3  670.8837824  595161404512329 0    502426 0      C-13-H3C(O)CH3
  255354.1648  0.0119 -5.9008 3  107.3008164  5951614042012 8 4    1913 6 4      C-13-H3C(O)CH3
  255359.0338  0.0144 -6.1252 3  261.0023252  595161404311714 4    302011 4      C-13-H3C(O)CH3
  255371.8035  0.0210 -6.7727 3  154.2314188  5951614042318 6 3    2315 8 3      C-13-H3C(O)CH3
  255376.3286  0.0076 -6.1862 3  107.2733328  5951614042012 8 2    1913 6 2      C-13-H3C(O)CH3
  255414.0877  0.0564 -5.8144 3 1064.9712484  595161404604615 4    604516 4      C-13-H3C(O)CH3
  255425.0335  0.3443 -6.7333 3 1597.8499604  595161404755124 3    755025 3      C-13-H3C(O)CH3
  255431.2994  0.3556 -6.3992 3 1597.8052C08  595161404755125 2    755026 2      C-13-H3C(O)CH3
  255439.4341  0.0319 -6.8482 3  309.4152504  5951614043129 3 2    3030 1 2      C-13-H3C(O)CH3
  255455.2279  0.0125 -5.4961 3  145.3508188  5951614042315 9 4    2216 7 4      C-13-H3C(O)CH3
  255478.2604  0.0124 -5.8204 3  261.0222504  595161404311714 1    302011 1      C-13-H3C(O)CH3
  255481.5682  0.0542 -5.8142 3 1064.9926484  595161404604615 3    604516 3      C-13-H3C(O)CH3
  255502.5869  0.0201 -6.9981 3  177.7840408  5951614042518 8 1    2419 5 1      C-13-H3C(O)CH3
  255550.3518  0.3873 -6.3987 3 1597.8046C08  595161404755124 0    755025 0      C-13-H3C(O)CH3
  255560.4683  0.0528 -5.8141 3 1064.9974484  595161404604614 3    604515 3      C-13-H3C(O)CH3
  255567.5353  0.3641 -6.3990 3 1597.8484C08  595161404755124 1    755025 1      C-13-H3C(O)CH3
  255581.7252  0.0466 -5.5129 3 1064.9503968  595161404604615 2    604516 2      C-13-H3C(O)CH3
  255586.6415  0.3865 -6.3986 3 1597.8032C08  595161404755125 0    755026 0      C-13-H3C(O)CH3
  255591.2523  0.3575 -6.3989 3 1597.8313C08  595161404755124 2    755025 2      C-13-H3C(O)CH3
  255591.3802  0.3263 -6.6999 3 1597.8758604  595161404755124 4    755025 4      C-13-H3C(O)CH3
  255595.3881  0.0079 -6.0139 3  107.2763328  5951614042012 8 1    1913 6 1      C-13-H3C(O)CH3
  255596.2421  0.0236 -5.2818 3  685.1687744  5951614044643 4 2    4642 5 2      C-13-H3C(O)CH3
  255597.4104  0.0278 -5.2373 3  982.7521984  595161404612932 0    612833 0      C-13-H3C(O)CH3
  255597.4584  0.0278 -5.2373 3  982.7521984  595161404613032 0    612933 0      C-13-H3C(O)CH3
  255604.3753  0.0293 -5.2373 3  982.7633984  595161404612932 1    612833 1      C-13-H3C(O)CH3
  255604.4318  0.0293 -5.2373 3  982.7633984  595161404613032 1    612933 1      C-13-H3C(O)CH3
  255608.3169  0.0347 -5.2373 3  982.7643984  595161404612932 2    612833 2      C-13-H3C(O)CH3
  255608.3699  0.0347 -5.2373 3  982.7643984  595161404613032 2    612933 2      C-13-H3C(O)CH3
  255612.4544  0.0199 -6.6915 3  154.2314188  5951614042318 5 3    2315 8 3      C-13-H3C(O)CH3
  255615.3198  0.0356 -5.5382 3  982.7756492  595161404612932 3    612833 3      C-13-H3C(O)CH3
  255615.3822  0.0356 -5.5382 3  982.7756492  595161404613032 3    612933 3      C-13-H3C(O)CH3
  255615.3911  0.0357 -5.5382 3  982.7756492  595161404612932 4    612833 4      C-13-H3C(O)CH3
  255615.4531  0.0357 -5.5382 3  982.7756492  595161404613032 4    612933 4      C-13-H3C(O)CH3
  255627.5109  0.0523 -5.8139 3 1065.0188484  595161404604614 4    604515 4      C-13-H3C(O)CH3
  255633.9452  0.0251 -6.3016 3  283.5751488  5951614043027 4 2    2928 2 2      C-13-H3C(O)CH3
  255637.9878  0.0208 -6.7428 3  177.7925408  5951614042518 8 2    2419 5 2      C-13-H3C(O)CH3
  255649.5394  0.0424 -5.5128 3 1064.9456968  595161404604615 1    604516 1      C-13-H3C(O)CH3
  255665.7019  0.0254 -6.6034 3  283.5181244  5951614043027 4 4    2928 1 4      C-13-H3C(O)CH3
  255669.0417  0.0267 -6.3011 3  283.5656488  5951614043027 4 1    2928 2 1      C-13-H3C(O)CH3
  255681.3464  0.0170 -6.3520 3  177.7467204  5951614042518 8 4    251511 4      C-13-H3C(O)CH3
  255685.8430  0.0201 -5.2818 3  685.1840744  5951614044643 3 0    4642 5 0      C-13-H3C(O)CH3
  255685.8430  0.0201 -5.2818 3  685.1840744  5951614044643 4 0    4642 4 0      C-13-H3C(O)CH3
  255716.6480  0.0429 -5.5126 3 1064.9670968  595161404604614 1    604515 1      C-13-H3C(O)CH3
  255727.5110  0.0454 -5.5126 3 1064.9765968  595161404604614 2    604515 2      C-13-H3C(O)CH3
  255733.9056  0.0317 -5.5823 3  685.1616372  5951614044643 4 4    4642 5 4      C-13-H3C(O)CH3
  255739.2953  0.0157 -6.4743 3  154.2263376  5951614042318 6 2    2315 8 2      C-13-H3C(O)CH3
  255753.5335  0.0077 -4.4896 3   95.6720312 -5951614041911 8 0    1812 7 0      C-13-H3C(O)CH3
  255773.8778  0.0245 -6.2998 3  283.5807488  5951614043027 3 2    2928 1 2      C-13-H3C(O)CH3
  255804.1172  0.0369 -5.6587 3  945.1804452  595161404564512 3    564413 3      C-13-H3C(O)CH3
  255804.4233  0.0255 -6.6017 3  283.5237244  5951614043027 3 3    2928 1 3      C-13-H3C(O)CH3
  255807.9137  0.0384 -5.6588 3  945.1737452  595161404564512 4    564413 4      C-13-H3C(O)CH3
  255816.4205  0.0428 -5.5123 3 1064.9247968  595161404604614 0    604515 0      C-13-H3C(O)CH3
  255816.4220  0.0428 -5.5123 3 1064.9247968  595161404604615 0    604516 0      C-13-H3C(O)CH3
  255822.6106  0.0308 -5.5824 3  685.2090372  5951614044643 3 3    4642 4 3      C-13-H3C(O)CH3
  255824.0712  0.0238 -5.2813 3  685.1769744  5951614044643 4 1    4642 5 1      C-13-H3C(O)CH3
  255836.7387  0.0049 -4.7723 3  409.3114340  595161404421230 4    421131 4      C-13-H3C(O)CH3
  255836.7387  0.0049 -4.7723 3  409.3114340  595161404421330 4    421231 4      C-13-H3C(O)CH3
  255836.7387  0.0049 -5.5791 3  409.3114340  595161404421230 4    421231 4      C-13-H3C(O)CH3
  255836.7387  0.0049 -5.5791 3  409.3114340  595161404421330 4    421131 4      C-13-H3C(O)CH3
  255836.9173  0.0049 -4.7107 3  409.3114340  595161404421230 3    421131 3      C-13-H3C(O)CH3
  255836.9173  0.0049 -4.7107 3  409.3114340  595161404421330 3    421231 3      C-13-H3C(O)CH3
  255837.5710  0.0236 -5.2814 3  685.2016744  5951614044643 3 2    4642 4 2      C-13-H3C(O)CH3
  255856.9502  0.0389 -5.6586 3  945.1986452  595161404564511 4    564412 4      C-13-H3C(O)CH3
  255857.8631  0.0049 -4.6827 3  409.3389680 -595161404421330 2    421231 2      C-13-H3C(O)CH3
  255857.8631  0.0049 -4.6827 3  409.3389680 -595161404421230 2    421131 2      C-13-H3C(O)CH3
  255857.8825  0.0049 -4.7376 3  409.3389680  595161404421230 2    421231 2      C-13-H3C(O)CH3
  255857.8825  0.0049 -4.7376 3  409.3389680  595161404421330 2    421131 2      C-13-H3C(O)CH3
  255860.7117  0.0378 -5.6587 3  945.1919452  595161404564511 3    564412 3      C-13-H3C(O)CH3
  255861.0789  0.0049 -6.4625 3  409.3398680  595161404421330 1    421231 1      C-13-H3C(O)CH3
  255861.0789  0.0049 -6.4625 3  409.3398680  595161404421230 1    421131 1      C-13-H3C(O)CH3
  255861.0789  0.0049 -4.4122 3  409.3398680  595161404421230 1    421231 1      C-13-H3C(O)CH3
  255861.0789  0.0049 -4.4122 3  409.3398680  595161404421330 1    421131 1      C-13-H3C(O)CH3
  255872.2325  0.0295 -5.3576 3  945.1505904  595161404564512 2    564413 2      C-13-H3C(O)CH3
  255881.9392  0.0040 -4.5248 3  409.3672680 -595161404421230 0    421131 0      C-13-H3C(O)CH3
  255881.9392  0.0040 -4.5577 3  409.3672680 -595161404421330 0    421231 0      C-13-H3C(O)CH3
  255882.0184  0.0040 -4.9440 3  409.3672680  595161404421230 0    421231 0      C-13-H3C(O)CH3
  255882.0184  0.0040 -5.0365 3  409.3672680  595161404421330 0    421131 0      C-13-H3C(O)CH3
  255894.2061  0.0079 -4.4903 3   95.6874312 -5951614041911 8 2    1812 7 2      C-13-H3C(O)CH3
  255913.1191  0.0227 -5.2814 3  685.2243744  5951614044643 3 1    4642 4 1      C-13-H3C(O)CH3
  255924.5878  0.0300 -5.3574 3  945.1687904  595161404564511 2    564412 2      C-13-H3C(O)CH3
  255975.2993  0.0314 -5.5820 3  685.1944372  5951614044643 4 3    4642 5 3      C-13-H3C(O)CH3
  255985.9965  0.0281 -5.3573 3  945.1571904  595161404564511 1    564412 1      C-13-H3C(O)CH3
  255989.9854  0.0296 -5.3573 3  945.1504904  595161404564512 1    564413 1      C-13-H3C(O)CH3
  256005.9681  0.0251 -6.6014 3  283.5010244  5951614043027 4 3    2928 2 3      C-13-H3C(O)CH3
  256048.1259  0.0156 -6.0620 3   53.1399116 -5951614041411 4 4    1310 3 4      C-13-H3C(O)CH3
  256053.3467  0.0252 -5.3571 3  945.1271904  595161404564511 0    564412 0      C-13-H3C(O)CH3
  256053.3468  0.0252 -5.3571 3  945.1271904  595161404564512 0    564413 0      C-13-H3C(O)CH3
  256065.7335  0.0336 -5.5821 3  685.2417372  5951614044643 3 4    4642 4 4      C-13-H3C(O)CH3
  256125.7587  0.0015 -4.2275 3   88.9023156 -59516140419 811 3    18 910 3      C-13-H3C(O)CH3
  256126.4536  0.0016 -4.2275 3   88.9023156 -59516140419 811 4    18 910 4      C-13-H3C(O)CH3
  256136.4621  0.0201 -5.9304 3  259.1011472  5951614042925 5 0    2826 2 0      C-13-H3C(O)CH3
  256136.4630  0.0201 -5.9304 3  259.1011472  5951614042925 4 0    2826 3 0      C-13-H3C(O)CH3
  256137.9834  0.0112 -6.2780 3  129.4290344  5951614042117 5 0    2114 8 0      C-13-H3C(O)CH3
  256144.2378  0.0294 -6.5997 3  283.5065244  5951614043027 3 4    2928 2 4      C-13-H3C(O)CH3
  256154.9845  0.0199 -6.1139 3  298.8895536  595161404331914 2    322211 2      C-13-H3C(O)CH3
  256182.9185  0.0078 -4.7833 3   95.7068156 -5951614041911 8 3    1812 7 3      C-13-H3C(O)CH3
  256195.5408  0.0080 -4.4885 3   95.6868312 -5951614041911 8 1    1812 7 1      C-13-H3C(O)CH3
  256212.6695  0.0081 -4.8004 3  717.3443856  595161404532231 0    532132 0      C-13-H3C(O)CH3
  256212.6696  0.0081 -4.8004 3  717.3443856  595161404532331 0    532232 0      C-13-H3C(O)CH3
  256218.7330  0.0016 -3.9264 3   88.8773312 -59516140419 811 1    18 910 1      C-13-H3C(O)CH3
  256221.8991  0.0016 -3.9267 3   88.8750312 -59516140419 811 2    18 910 2      C-13-H3C(O)CH3
  256264.5926  0.0092 -4.8000 3  717.3350856  595161404532231 1    532132 1      C-13-H3C(O)CH3
  256264.5927  0.0092 -4.8000 3  717.3350856  595161404532331 1    532232 1      C-13-H3C(O)CH3
  256264.8955  0.0118 -4.8000 3  717.3346856  595161404532231 2    532132 2      C-13-H3C(O)CH3
  256264.8956  0.0118 -4.8000 3  717.3346856  595161404532331 2    532232 2      C-13-H3C(O)CH3
  256273.4753  0.0084 -5.2746 3  142.7954188  595161404231410 4    2215 7 4      C-13-H3C(O)CH3
  256278.1441  0.0196 -5.9306 3  259.0360472  5951614042925 5 1    2826 3 1      C-13-H3C(O)CH3
  256314.3461  0.0016 -3.9267 3   88.8501312 -59516140419 811 0    18 910 0      C-13-H3C(O)CH3
  256316.9011  0.0117 -5.1008 3  717.3253428  595161404532231 3    532132 3      C-13-H3C(O)CH3
  256316.9012  0.0117 -5.1008 3  717.3253428  595161404532331 3    532232 3      C-13-H3C(O)CH3
  256317.0195  0.0118 -5.1008 3  717.3253428  595161404532231 4    532132 4      C-13-H3C(O)CH3
  256317.0196  0.0118 -5.1008 3  717.3253428  595161404532331 4    532232 4      C-13-H3C(O)CH3
  256350.1133  0.4415 -6.9795 3 1927.4765D52  595161404844837 1    844738 1      C-13-H3C(O)CH3
  256354.4906  0.0157 -6.6892 3  129.4305344  5951614042117 4 1    2114 8 1      C-13-H3C(O)CH3
  256359.7195  0.4433 -6.9795 3 1927.4800D52  595161404844837 2    844738 2      C-13-H3C(O)CH3
  256361.4668  0.4419 -6.9795 3 1927.4830D52  595161404844837 0    844738 0      C-13-H3C(O)CH3
  256368.5287  0.0015 -4.2265 3   88.8958156 -59516140419 911 4    18 810 4      C-13-H3C(O)CH3
  256369.8046  0.0015 -4.2265 3   88.8957156 -59516140419 911 3    18 810 3      C-13-H3C(O)CH3
  256382.4437  0.0049 -4.7409 3  384.0228332  595161404411130 4    411131 4      C-13-H3C(O)CH3
  256382.4437  0.0049 -5.6474 3  384.0228332  595161404411230 4    411131 4      C-13-H3C(O)CH3
  256382.4437  0.0049 -5.6474 3  384.0228332  595161404411130 4    411031 4      C-13-H3C(O)CH3
  256382.4437  0.0049 -4.7409 3  384.0228332  595161404411230 4    411031 4      C-13-H3C(O)CH3
  256382.6608  0.0047 -5.0804 3  384.0229332  595161404411130 3    411031 3      C-13-H3C(O)CH3
  256382.6608  0.0047 -5.0804 3  384.0229332  595161404411230 3    411131 3      C-13-H3C(O)CH3
  256382.6608  0.0047 -4.9172 3  384.0229332  595161404411130 3    411131 3      C-13-H3C(O)CH3
  256382.6608  0.0047 -4.9172 3  384.0229332  595161404411230 3    411031 3      C-13-H3C(O)CH3
  256407.2291  0.0115 -6.0213 3  177.7538408  5951614042518 8 1    251511 1      C-13-H3C(O)CH3
  256424.6870  0.2150 -6.5973 3 1567.9711612  595161404764135 4    764036 4      C-13-H3C(O)CH3
  256424.7385  0.2150 -6.5973 3 1567.9711612  595161404764135 3    764036 3      C-13-H3C(O)CH3
  256426.1534  0.0048 -4.8573 3  384.0482664 -595161404411230 2    411131 2      C-13-H3C(O)CH3
  256426.1534  0.0048 -4.8573 3  384.0482664 -595161404411130 2    411031 2      C-13-H3C(O)CH3
  256426.1680  0.0048 -4.5695 3  384.0482664  595161404411130 2    411131 2      C-13-H3C(O)CH3
  256426.1680  0.0048 -4.5695 3  384.0482664  595161404411230 2    411031 2      C-13-H3C(O)CH3
  256429.3977  0.0049 -4.6873 3  384.0491664  595161404411130 1    411031 1      C-13-H3C(O)CH3
  256429.3977  0.0049 -4.6927 3  384.0491664  595161404411130 1    411131 1      C-13-H3C(O)CH3
  256429.3977  0.0049 -4.6927 3  384.0491664  595161404411230 1    411031 1      C-13-H3C(O)CH3
  256429.3977  0.0049 -4.6873 3  384.0491664  595161404411230 1    411131 1      C-13-H3C(O)CH3
  256444.9118  0.0169 -6.1085 3  298.9094536  595161404331914 0    322211 0      C-13-H3C(O)CH3
  256454.6516  0.2028 -6.2962 3 1567.9611C24  595161404764135 1    764036 1      C-13-H3C(O)CH3
  256464.8344  0.0016 -3.9254 3   88.8707312 -59516140419 911 1    18 810 1      C-13-H3C(O)CH3
  256470.5543  0.0089 -5.1418 3  177.7912408  5951614042518 8 0    2419 5 0      C-13-H3C(O)CH3
  256472.7786  0.0041 -4.4734 3  384.0744664 -595161404411230 0    411131 0      C-13-H3C(O)CH3
  256472.7786  0.0041 -4.4734 3  384.0744664 -595161404411130 0    411031 0      C-13-H3C(O)CH3
  256472.8418  0.0041 -5.1406 3  384.0744664  595161404411130 0    411131 0      C-13-H3C(O)CH3
  256472.8418  0.0041 -5.1406 3  384.0744664  595161404411230 0    411031 0      C-13-H3C(O)CH3
  256474.4311  0.2167 -6.2961 3 1567.9651C24  595161404764135 2    764036 2      C-13-H3C(O)CH3
  256474.7121  0.0016 -3.9257 3   88.8682312 -59516140419 911 2    18 810 2      C-13-H3C(O)CH3
  256488.6251  0.0109 -4.7960 3   95.6978156 -5951614041911 8 4    1812 7 4      C-13-H3C(O)CH3
  256504.2625  0.2035 -6.2960 3 1567.9552C24  595161404764135 0    764036 0      C-13-H3C(O)CH3
  256526.3655  0.2069 -6.5970 3 1567.9717612  595161404764235 4    764136 4      C-13-H3C(O)CH3
  256526.4506  0.2067 -6.5970 3 1567.9716612  595161404764235 3    764136 3      C-13-H3C(O)CH3
  256530.1690  0.0200 -5.9291 3  259.0373472  5951614042925 5 2    2826 3 2      C-13-H3C(O)CH3
  256530.6034  0.0188 -5.9281 3  259.0567472  5951614042925 4 2    2826 2 2      C-13-H3C(O)CH3
  256531.8374  0.0202 -5.9289 3  259.0383472  5951614042925 4 1    2826 2 1      C-13-H3C(O)CH3
  256543.6926  0.0150 -6.6642 3  129.4317344  5951614042117 4 2    2114 8 2      C-13-H3C(O)CH3
  256550.9130  0.0205 -5.2428 3  808.9030824  5951614045144 8 2    5143 9 2      C-13-H3C(O)CH3
  256555.7928  0.2029 -6.2958 3 1567.9617C24  595161404764235 1    764136 1      C-13-H3C(O)CH3
  256562.6677  0.0268 -6.4275 3  298.8619268  595161404331914 4    322211 4      C-13-H3C(O)CH3
  256564.2058  0.0049 -4.4642 3   66.1994132 -5951614041610 7 4    15 9 6 4      C-13-H3C(O)CH3
  256569.1019  0.2084 -6.2958 3 1567.9656C24  595161404764235 2    764136 2      C-13-H3C(O)CH3
  256569.9547  0.0279 -5.5437 3  808.9142412  5951614045144 8 4    5143 9 4      C-13-H3C(O)CH3
  256569.9969  0.0015 -3.9256 3   88.8432312 -59516140419 911 0    18 810 0      C-13-H3C(O)CH3
  256579.5210  0.0044 -4.9262 3  142.7819376  595161404231410 2    2215 7 2      C-13-H3C(O)CH3
  256581.4013  0.3429 -6.9284 3 1743.3429644  595161404804436 4    804337 4      C-13-H3C(O)CH3
  256581.4443  0.3432 -6.9284 3 1743.3429644  595161404804436 3    804337 3      C-13-H3C(O)CH3
  256590.1587  0.0265 -6.4438 3  298.8607268  595161404331914 3    322211 3      C-13-H3C(O)CH3
  256596.6633  0.3094 -6.6273 3 1743.3395C88  595161404804436 1    804337 1      C-13-H3C(O)CH3
  256598.3771  0.2037 -6.2957 3 1567.9557C24  595161404764235 0    764136 0      C-13-H3C(O)CH3
  256604.4205  0.0048 -4.9373 3  142.7847376  595161404231410 1    2215 7 1      C-13-H3C(O)CH3
  256626.0051  0.0782 -5.9590 3 1162.2756508  595161404634717 4    634618 4      C-13-H3C(O)CH3
  256633.4883  0.3463 -6.6272 3 1743.3437C88  595161404804436 2    804337 2      C-13-H3C(O)CH3
  256636.1881  0.0252 -5.5438 3  808.9327412  5951614045144 7 3    5143 8 3      C-13-H3C(O)CH3
  256647.7592  0.0131 -6.2023 3  177.7470204  5951614042518 8 3    251511 3      C-13-H3C(O)CH3
  256648.7188  0.3102 -6.6271 3 1743.3403C88  595161404804436 0    804337 0      C-13-H3C(O)CH3
  256648.7956  0.0211 -5.2427 3  808.9046824  5951614045144 7 2    5143 8 2      C-13-H3C(O)CH3
  256653.7813  0.0210 -5.4261 3  406.3557616  595161404382513 0    382216 0      C-13-H3C(O)CH3
  256654.2687  0.2338 -6.4920 3 1481.9522580  595161404725023 4    724924 4      C-13-H3C(O)CH3
  256656.4943  0.0279 -5.3558 3  663.5977728  5951614044543 3 2    4542 4 2      C-13-H3C(O)CH3
  256667.3014  0.0273 -5.5436 3  808.9157412  5951614045144 8 3    5143 9 3      C-13-H3C(O)CH3
  256668.8823  0.0203 -6.2294 3  258.9916236  5951614042925 4 3    2826 2 3      C-13-H3C(O)CH3
  256669.0873  0.0206 -6.2304 3  258.9723236  5951614042925 5 4    2826 3 4      C-13-H3C(O)CH3
  256674.1400  0.0039 -4.4609 3   66.1978132 -5951614041610 7 3    15 9 6 3      C-13-H3C(O)CH3
  256689.1696  0.0030 -4.9119 3  142.7783376  595161404231410 0    2215 7 0      C-13-H3C(O)CH3
  256691.3485  0.0185 -5.2426 3  808.8860824  5951614045144 7 0    5143 8 0      C-13-H3C(O)CH3
  256691.3485  0.0185 -5.2426 3  808.8860824  5951614045144 8 0    5143 9 0      C-13-H3C(O)CH3
  256710.9172  0.0215 -5.2425 3  808.8971824  5951614045144 8 1    5143 9 1      C-13-H3C(O)CH3
  256711.4063  0.0081 -5.1511 3  177.7925408  5951614042518 7 2    2419 5 2      C-13-H3C(O)CH3
  256715.5065  0.0234 -5.4272 3  406.3348616  595161404382513 1    382216 1      C-13-H3C(O)CH3
  256718.4062  0.0232 -5.3559 3  663.6205728  5951614044543 3 0    4542 3 0      C-13-H3C(O)CH3
  256718.4062  0.0232 -5.3559 3  663.6205728  5951614044543 2 0    4542 4 0      C-13-H3C(O)CH3
  256734.4601  0.0271 -5.5436 3  808.9341412  5951614045144 7 4    5143 8 4      C-13-H3C(O)CH3
  256742.4452  0.0767 -5.9588 3 1162.3050508  595161404634717 3    634618 3      C-13-H3C(O)CH3
  256763.2085  0.0040 -5.2174 3  142.7797188  595161404231410 3    2215 7 3      C-13-H3C(O)CH3
  256777.5837  0.0199 -5.2425 3  808.9156824  5951614045144 7 1    5143 8 1      C-13-H3C(O)CH3
  256779.4729  0.0016 -4.1328 3   94.3139164 -59516140420 713 4    19 812 4      C-13-H3C(O)CH3
  256779.4729  0.0016 -4.1328 3   94.3139164 -59516140420 713 3    19 812 3      C-13-H3C(O)CH3
  256782.7955  0.0016 -4.1328 3   94.3138164 -59516140420 813 4    19 712 4      C-13-H3C(O)CH3
  256782.7955  0.0016 -4.1328 3   94.3138164 -59516140420 813 3    19 712 3      C-13-H3C(O)CH3
  256805.0121  0.0090 -5.1405 3  177.7911408  5951614042518 7 0    2419 6 0      C-13-H3C(O)CH3
  256806.4131  0.0161 -6.3738 3  154.2325376  5951614042318 5 1    2315 8 1      C-13-H3C(O)CH3
  256811.3246  0.0692 -5.9586 3 1162.3054508  595161404634716 3    634617 3      C-13-H3C(O)CH3
  256830.1242  0.0108 -6.2826 3  441.1489664  595161404411922 1    402219 1      C-13-H3C(O)CH3
  256830.4738  0.0374 -5.6563 3  663.5882364  5951614044543 3 4    4542 4 4      C-13-H3C(O)CH3
  256831.7980  0.0114 -6.5827 3  441.1215332  595161404411922 3    402219 3      C-13-H3C(O)CH3
  256831.8991  0.0114 -6.5827 3  441.1215332  595161404411922 4    402219 4      C-13-H3C(O)CH3
  256834.3733  0.2660 -6.1905 3 1481.9432B60  595161404725023 1    724924 1      C-13-H3C(O)CH3
  256846.2749  0.0245 -6.3314 3  177.7404204  5951614042518 8 3    2419 5 3      C-13-H3C(O)CH3
  256849.7554  0.2122 -6.4918 3 1481.9808580  595161404725023 3    724924 3      C-13-H3C(O)CH3
  256852.4016  0.0706 -5.6574 3 1162.2567A16  595161404634717 2    634618 2      C-13-H3C(O)CH3
  256855.4312  0.0210 -6.1297 3  298.8814536  595161404331914 1    322211 1      C-13-H3C(O)CH3
  256860.2725  0.0017 -3.8317 3   94.2889328 -59516140420 713 1    19 812 1      C-13-H3C(O)CH3
  256863.0314  0.0017 -3.8319 3   94.2873328 -59516140420 713 2    19 812 2      C-13-H3C(O)CH3
  256863.5806  0.0017 -3.8317 3   94.2888328 -59516140420 813 1    19 712 1      C-13-H3C(O)CH3
  256866.5304  0.0017 -3.8318 3   94.2872328 -59516140420 813 2    19 712 2      C-13-H3C(O)CH3
  256872.7050  0.0643 -5.6574 3 1162.2517A16  595161404634717 1    634618 1      C-13-H3C(O)CH3
  256885.4543  0.0094 -6.2812 3  441.1716664  595161404411922 0    402219 0      C-13-H3C(O)CH3
  256886.5510  0.0049 -6.5912 3  359.3219324  595161404401030 4    40 931 4      C-13-H3C(O)CH3
  256886.5510  0.0049 -4.6810 3  359.3219324  595161404401030 4    401031 4      C-13-H3C(O)CH3
  256886.5510  0.0049 -4.6810 3  359.3219324  595161404401130 4    40 931 4      C-13-H3C(O)CH3
  256886.5510  0.0049 -6.5912 3  359.3219324  595161404401130 4    401031 4      C-13-H3C(O)CH3
  256886.7999  0.0047 -4.7501 3  359.3219324  595161404401030 3    40 931 3      C-13-H3C(O)CH3
  256886.7999  0.0047 -4.7501 3  359.3219324  595161404401130 3    401031 3      C-13-H3C(O)CH3
  256886.7999  0.0047 -5.4781 3  359.3219324  595161404401030 3    401031 3      C-13-H3C(O)CH3
  256886.7999  0.0047 -5.4781 3  359.3219324  595161404401130 3    40 931 3      C-13-H3C(O)CH3
  256887.5308  0.0230 -7.0831 3  129.4289172  5951614042117 4 4    2114 8 4      C-13-H3C(O)CH3
  256887.5878  0.0113 -6.2803 3  441.1442664  595161404411922 2    402219 2      C-13-H3C(O)CH3
  256892.8694  0.0279 -5.3553 3  663.6110728  5951614044543 3 1    4542 4 1      C-13-H3C(O)CH3
  256894.7580  0.0043 -4.1599 3   66.1609264 -5951614041610 7 1    15 9 6 1      C-13-H3C(O)CH3
  256913.2871  0.0377 -5.6564 3  663.6420364  5951614044543 2 3    4542 3 3      C-13-H3C(O)CH3
  256921.6535  0.0197 -6.2287 3  258.9745236  5951614042925 5 3    2826 3 3      C-13-H3C(O)CH3
  256922.2153  0.0231 -6.2276 3  258.9938236  5951614042925 4 4    2826 2 4      C-13-H3C(O)CH3
  256924.7922  0.2045 -6.4916 3 1481.9858580  595161404725022 3    724923 3      C-13-H3C(O)CH3
  256927.1798  0.0707 -5.9584 3 1162.3349508  595161404634716 4    634617 4      C-13-H3C(O)CH3
  256928.5263  0.0295 -5.3554 3  663.6396728  5951614044543 2 2    4542 3 2      C-13-H3C(O)CH3
  256929.8318  0.0116 -5.9998 3  177.7494408  5951614042518 8 2    251511 2      C-13-H3C(O)CH3
  256943.7081  0.0016 -3.8317 3   94.2623328 -59516140420 713 0    19 812 0      C-13-H3C(O)CH3
  256947.1684  0.0016 -3.8317 3   94.2622328 -59516140420 813 0    19 712 0      C-13-H3C(O)CH3
  256949.2401  0.3086 -6.9272 3 1743.3451644  595161404804536 4    804437 4      C-13-H3C(O)CH3
  256949.3051  0.3082 -6.9272 3 1743.3451644  595161404804536 3    804437 3      C-13-H3C(O)CH3
  256956.3103  0.0048 -4.6092 3  359.3441648 -595161404401030 2    40 931 2      C-13-H3C(O)CH3
  256956.3103  0.0048 -4.6092 3  359.3441648 -595161404401130 2    401031 2      C-13-H3C(O)CH3
  256956.3327  0.0048 -4.7535 3  359.3441648  595161404401030 2    401031 2      C-13-H3C(O)CH3
  256956.3327  0.0048 -4.7535 3  359.3441648  595161404401130 2    40 931 2      C-13-H3C(O)CH3
  256959.5329  0.0048 -4.5336 3  359.3449648  595161404401130 1    40 931 1      C-13-H3C(O)CH3
  256959.5329  0.0048 -4.5336 3  359.3449648  595161404401030 1    401031 1      C-13-H3C(O)CH3
  256959.5338  0.0048 -4.8873 3  359.3449648 -595161404401030 1    40 931 1      C-13-H3C(O)CH3
  256959.5338  0.0048 -4.8873 3  359.3449648 -595161404401130 1    401031 1      C-13-H3C(O)CH3
  256960.3904  0.0086 -5.1455 3  177.7840408  5951614042518 7 1    2419 5 1      C-13-H3C(O)CH3
  256961.8227  0.0225 -6.6464 3  154.2349188  5951614042318 5 4    2315 8 4      C-13-H3C(O)CH3
  256967.0139  0.3031 -6.6261 3 1743.3417C88  595161404804536 1    804437 1      C-13-H3C(O)CH3
  256975.6792  0.2487 -6.1901 3 1481.9361B60  595161404725023 2    724924 2      C-13-H3C(O)CH3
  256975.9107  0.0274 -5.3554 3  663.6649728  5951614044543 2 1    4542 3 1      C-13-H3C(O)CH3
  256977.3472  0.0086 -5.1505 3  177.7478408  5951614042518 8 2    2419 6 2      C-13-H3C(O)CH3
  256981.7419  0.3098 -6.6261 3 1743.3457C88  595161404804536 2    804437 2      C-13-H3C(O)CH3
  256985.2035  0.0129 -6.1282 3  154.2257376  5951614042318 5 0    2315 8 0      C-13-H3C(O)CH3
  256988.7799  0.0717 -5.6571 3 1162.2812A16  595161404634716 1    634617 1      C-13-H3C(O)CH3
  256999.2967  0.3037 -6.6260 3 1743.3423C88  595161404804536 0    804437 0      C-13-H3C(O)CH3
  257001.9383  0.0124 -5.4416 3  177.7852204  5951614042518 7 4    2419 5 4      C-13-H3C(O)CH3
  257028.9094  0.0042 -4.8013 3  359.3670648 -595161404401130 0    40 931 0      C-13-H3C(O)CH3
  257028.9094  0.0042 -4.8013 3  359.3670648 -595161404401030 0    401031 0      C-13-H3C(O)CH3
  257028.9569  0.0042 -4.5774 3  359.3670648  595161404401030 0    40 931 0      C-13-H3C(O)CH3
  257028.9569  0.0042 -4.5774 3  359.3670648  595161404401130 0    401031 0      C-13-H3C(O)CH3
  257037.1890  0.0687 -5.6570 3 1162.2866A16  595161404634716 2    634617 2      C-13-H3C(O)CH3
  257039.8758  0.0084 -5.1461 3  177.7327408  5951614042518 8 1    2419 6 1      C-13-H3C(O)CH3
  257044.9345  0.0099 -5.4999 3  177.7338204  5951614042518 8 3    2419 6 3      C-13-H3C(O)CH3
  257048.7161  0.0044 -4.1589 3   66.1543264 -5951614041610 7 2    15 9 6 2      C-13-H3C(O)CH3
  257098.5679  0.0722 -5.6568 3 1162.2330A16  595161404634716 0    634617 0      C-13-H3C(O)CH3
  257098.5834  0.0722 -5.6568 3 1162.2330A16  595161404634717 0    634618 0      C-13-H3C(O)CH3
  257102.8927  0.0387 -5.6559 3  663.6300364  5951614044543 3 3    4542 4 3      C-13-H3C(O)CH3
  257104.6830  0.2638 -6.1899 3 1481.9769B60  595161404725022 1    724923 1      C-13-H3C(O)CH3
  257104.9578  0.0058 -6.9113 3   72.0730140  59516140417 8 9 3    17 512 3      C-13-H3C(O)CH3
  257109.6556  0.0081 -6.9113 3   72.0731140  59516140417 8 9 4    17 512 4      C-13-H3C(O)CH3
  257111.6147  0.6892 -6.9382 3 1891.9294D20  595161404825428 0    825329 0      C-13-H3C(O)CH3
  257119.7302  0.2097 -6.4910 3 1482.0145580  595161404725022 4    724923 4      C-13-H3C(O)CH3
  257140.5006  0.8677 -6.9969 3 1891.9311D20  595161404825429 1    825330 1      C-13-H3C(O)CH3
  257152.7928  0.2802 -6.1897 3 1481.9274B60  595161404725022 0    724923 0      C-13-H3C(O)CH3
  257159.1747  0.2801 -6.1896 3 1481.9271B60  595161404725023 0    724924 0      C-13-H3C(O)CH3
  257170.8778  0.2426 -6.1897 3 1481.9648B60  595161404725022 2    724923 2      C-13-H3C(O)CH3
  257171.6503  0.0105 -6.1251 3  380.7033616  595161404381920 1    372017 1      C-13-H3C(O)CH3
  257172.6795  0.0126 -6.8884 3  177.7470204  5951614042518 7 3    251511 3      C-13-H3C(O)CH3
  257176.8650  0.0061 -7.0470 3   16.7007 76  595161404 9 6 3 3     8 3 6 3      C-13-H3C(O)CH3
  257187.5235  0.0413 -5.6560 3  663.6838364  5951614044543 2 4    4542 3 4      C-13-H3C(O)CH3
  257189.6847  0.0160 -6.3902 3  154.2263376  5951614042318 5 2    2315 8 2      C-13-H3C(O)CH3
  257205.0754  0.7408 -6.9659 3 1891.9281D20  595161404825428 2    825329 2      C-13-H3C(O)CH3
  257214.0460  0.0114 -6.4251 3  380.6731308  595161404381920 4    372017 4      C-13-H3C(O)CH3
  257216.6879  0.0118 -6.4251 3  380.6731308  595161404381920 3    372017 3      C-13-H3C(O)CH3
  257223.7645  0.0231 -5.1716 3  946.4883968  595161404602832 0    602733 0      C-13-H3C(O)CH3
  257223.7806  0.0231 -5.1716 3  946.4883968  595161404602932 0    602833 0      C-13-H3C(O)CH3
  257238.5250  0.0246 -5.1715 3  946.4976968  595161404602832 1    602733 1      C-13-H3C(O)CH3
  257238.5444  0.0246 -5.1715 3  946.4976968  595161404602932 1    602833 1      C-13-H3C(O)CH3
  257242.0095  0.0300 -5.1715 3  946.4984968  595161404602832 2    602733 2      C-13-H3C(O)CH3
  257242.0276  0.0300 -5.1715 3  946.4984968  595161404602932 2    602833 2      C-13-H3C(O)CH3
  257248.3446  0.0089 -6.1232 3  380.7259616  595161404381920 0    372017 0      C-13-H3C(O)CH3
  257256.8176  0.0307 -5.4724 3  946.5078484  595161404602832 3    602733 3      C-13-H3C(O)CH3
  257256.8392  0.0307 -5.4724 3  946.5078484  595161404602932 3    602833 3      C-13-H3C(O)CH3
  257256.9028  0.0308 -5.4724 3  946.5078484  595161404602832 4    602733 4      C-13-H3C(O)CH3
  257256.9242  0.0308 -5.4724 3  946.5078484  595161404602932 4    602833 4      C-13-H3C(O)CH3
  257286.4888  0.0073 -4.7501 3  685.6563840  595161404522131 0    522032 0      C-13-H3C(O)CH3
  257286.4888  0.0073 -4.7501 3  685.6563840  595161404522231 0    522132 0      C-13-H3C(O)CH3
  257287.5244  0.7272 -6.9968 3 1891.9524D20  595161404825428 1    825329 1      C-13-H3C(O)CH3
  257290.4726  0.1106 -6.1207 3 1264.1971532  595161404664819 4    664720 4      C-13-H3C(O)CH3
  257293.4627  0.0109 -6.1221 3  380.6958616  595161404381920 2    372017 2      C-13-H3C(O)CH3
  257298.0708  0.0067 -7.0528 3   16.7007 76  595161404 9 6 3 4     8 3 6 4      C-13-H3C(O)CH3
  257300.8683  0.0312 -5.4358 3  406.3195616  595161404382513 2    382216 2      C-13-H3C(O)CH3
  257309.3314  0.0317 -5.7320 3  406.2986308  595161404382513 3    382216 3      C-13-H3C(O)CH3
  257318.9843  0.7098 -6.9655 3 1891.9005D20  595161404825429 2    825330 2      C-13-H3C(O)CH3
  257321.5927  0.0044 -4.1572 3   66.1168264 -5951614041610 7 0    15 9 6 0      C-13-H3C(O)CH3
  257333.2033  0.1593 -6.2986 3 1370.7505556  595161404694921 4    694822 4      C-13-H3C(O)CH3
  257336.1209  0.0061 -6.6057 3   72.0339280  59516140417 8 9 2    17 512 2      C-13-H3C(O)CH3
  257341.1909  0.0103 -4.7498 3  685.6432840  595161404522131 2    522032 2      C-13-H3C(O)CH3
  257341.1909  0.0103 -4.7498 3  685.6432840  595161404522231 2    522132 2      C-13-H3C(O)CH3
  257341.3138  0.0083 -4.7498 3  685.6437840  595161404522131 1    522032 1      C-13-H3C(O)CH3
  257341.3138  0.0083 -4.7498 3  685.6437840  595161404522231 1    522132 1      C-13-H3C(O)CH3
  257351.2861  0.0052 -6.1409 3  335.2099316  595161404391030 4    39 831 4      C-13-H3C(O)CH3
  257351.2861  0.0052 -6.1409 3  335.2099316  59516140439 930 4    39 931 4      C-13-H3C(O)CH3
  257351.3122  0.0052 -4.6815 3  335.2099316 -59516140439 930 4    39 831 4      C-13-H3C(O)CH3
  257351.3122  0.0048 -6.0536 3  335.2099316 -59516140439 930 3    39 831 3      C-13-H3C(O)CH3
  257351.3122  0.0048 -6.0536 3  335.2099316 -595161404391030 3    39 931 3      C-13-H3C(O)CH3
  257351.3122  0.0052 -4.6815 3  335.2099316 -595161404391030 4    39 931 4      C-13-H3C(O)CH3
  257351.5562  0.0048 -4.6849 3  335.2099316  59516140439 930 3    39 931 3      C-13-H3C(O)CH3
  257351.5562  0.0048 -4.6849 3  335.2099316  595161404391030 3    39 831 3      C-13-H3C(O)CH3
  257371.1952  0.0098 -5.4982 3  177.7404204  5951614042518 7 3    2419 5 3      C-13-H3C(O)CH3
  257394.3865  0.0061 -6.6068 3   72.0349280  59516140417 8 9 1    17 512 1      C-13-H3C(O)CH3
  257394.3998  0.0109 -6.2805 3  441.1301664  595161404412022 1    402119 1      C-13-H3C(O)CH3
  257395.4390  0.0348 -5.7428 3  406.2988308  595161404382513 4    382216 4      C-13-H3C(O)CH3
  257396.1008  0.0102 -5.0505 3  685.6306420  595161404522231 3    522132 3      C-13-H3C(O)CH3
  257396.1008  0.0102 -5.0505 3  685.6306420  595161404522131 3    522032 3      C-13-H3C(O)CH3
  257396.2119  0.0103 -5.0505 3  685.6305420  595161404522131 4    522032 4      C-13-H3C(O)CH3
  257396.2120  0.0103 -5.0505 3  685.6305420  595161404522231 4    522132 4      C-13-H3C(O)CH3
  257398.9585  0.0061 -6.7386 3   16.6336152  595161404 9 6 3 2     8 3 6 2      C-13-H3C(O)CH3
  257408.9972  0.0104 -5.4413 3  177.6891204  5951614042518 8 4    2419 6 4      C-13-H3C(O)CH3
  257416.3009  0.0120 -6.5805 3  441.1020332  595161404412022 4    402119 4      C-13-H3C(O)CH3
  257417.2044  0.0121 -6.5805 3  441.1020332  595161404412022 3    402119 3      C-13-H3C(O)CH3
  257443.2738  0.0094 -6.2792 3  441.1530664  595161404412022 0    402119 0      C-13-H3C(O)CH3
  257446.8935  0.0059 -6.7421 3   16.6343152  595161404 9 6 3 1     8 3 6 1      C-13-H3C(O)CH3
  257450.6699  0.0047 -4.3970 3  335.2276632 -595161404391030 2    39 931 2      C-13-H3C(O)CH3
  257450.6699  0.0047 -4.3970 3  335.2276632 -59516140439 930 2    39 831 2      C-13-H3C(O)CH3
  257450.7062  0.0047 -5.5169 3  335.2276632  595161404391030 2    39 831 2      C-13-H3C(O)CH3
  257450.7062  0.0047 -5.5169 3  335.2276632  59516140439 930 2    39 931 2      C-13-H3C(O)CH3
  257450.7709  0.0659 -5.8521 3 1163.8554532  595161404663333 3    663234 3      C-13-H3C(O)CH3
  257450.7812  0.0659 -5.8521 3 1163.8554532  595161404663333 4    663234 4      C-13-H3C(O)CH3
  257451.6949  0.0658 -5.8521 3 1163.8554532  595161404663433 3    663334 3      C-13-H3C(O)CH3
  257451.7023  0.0659 -5.8521 3 1163.8554532  595161404663433 4    663334 4      C-13-H3C(O)CH3
  257453.8123  0.0048 -4.3924 3  335.2283632  595161404391030 1    39 831 1      C-13-H3C(O)CH3
  257453.8123  0.0048 -4.3924 3  335.2283632  59516140439 930 1    39 931 1      C-13-H3C(O)CH3
  257453.8499  0.0048 -5.5836 3  335.2283632 -595161404391030 1    39 931 1      C-13-H3C(O)CH3
  257453.8499  0.0048 -5.5836 3  335.2283632 -59516140439 930 1    39 831 1      C-13-H3C(O)CH3
  257458.2946  0.1073 -6.1204 3 1264.2314532  595161404664818 3    664719 3      C-13-H3C(O)CH3
  257466.0756  0.0600 -5.5511 3 1163.8376A64  595161404663333 1    663234 1      C-13-H3C(O)CH3
  257466.1529  0.0117 -6.2781 3  441.1250664  595161404412022 2    402119 2      C-13-H3C(O)CH3
  257466.9461  0.0600 -5.5511 3 1163.8376A64  595161404663433 1    663334 1      C-13-H3C(O)CH3
  257472.3818  0.0651 -5.5511 3 1163.8397A64  595161404663333 2    663234 2      C-13-H3C(O)CH3
  257473.1910  0.0651 -5.5511 3 1163.8397A64  595161404663433 2    663334 2      C-13-H3C(O)CH3
  257487.6842  0.0594 -5.5510 3 1163.8219A64  595161404663333 0    663234 0      C-13-H3C(O)CH3
  257488.4459  0.0594 -5.5510 3 1163.8219A64  595161404663433 0    663334 0      C-13-H3C(O)CH3
  257497.9483  0.0931 -6.1203 3 1264.2282532  595161404664819 3    664720 3      C-13-H3C(O)CH3
  257508.4594  0.6762 -6.9369 3 1891.9139D20  595161404825429 0    825330 0      C-13-H3C(O)CH3
  257518.9809  0.0078 -5.8190 3  177.7563408  5951614042518 8 0    251511 0      C-13-H3C(O)CH3
  257530.0524  0.1048 -5.8191 3 1264.1767A64  595161404664819 1    664720 1      C-13-H3C(O)CH3
  257544.2847  0.1344 -6.2981 3 1370.7810556  595161404694921 3    694822 3      C-13-H3C(O)CH3
  257549.3143  0.1702 -5.9970 3 1370.7351B12  595161404694921 1    694822 1      C-13-H3C(O)CH3
  257552.7722  0.0043 -4.5298 3  335.2460632 -595161404391030 0    39 831 0      C-13-H3C(O)CH3
  257552.7722  0.0043 -4.8652 3  335.2460632 -59516140439 930 0    39 831 0      C-13-H3C(O)CH3
  257552.7981  0.0043 -4.8652 3  335.2460632  595161404391030 0    39 931 0      C-13-H3C(O)CH3
  257552.7981  0.0043 -4.5298 3  335.2460632  59516140439 930 0    39 931 0      C-13-H3C(O)CH3
  257553.2080  0.1476 -6.2981 3 1370.7863556  595161404694920 3    694821 3      C-13-H3C(O)CH3
  257564.0901  0.1091 -5.8190 3 1264.1799A64  595161404664819 2    664720 2      C-13-H3C(O)CH3
  257569.8548  0.0248 -6.3290 3  177.7338204  5951614042518 7 3    2419 6 3      C-13-H3C(O)CH3
  257586.6299  0.0156 -5.6374 3  235.8817456  5951614042823 6 0    2724 3 0      C-13-H3C(O)CH3
  257586.7043  0.0156 -5.6374 3  235.8817456  5951614042823 5 0    2724 4 0      C-13-H3C(O)CH3
  257608.3531  0.0057 -6.7317 3   16.5674152  595161404 9 6 3 0     8 3 6 0      C-13-H3C(O)CH3
  257622.9776  0.0059 -6.6020 3   71.9959280  59516140417 8 9 0    17 512 0      C-13-H3C(O)CH3
  257639.4747  0.1670 -5.9967 3 1370.7342B12  595161404694921 2    694822 2      C-13-H3C(O)CH3
  257640.2459  0.0333 -5.4821 3  642.5261712  5951614044443 2 2    4442 3 2      C-13-H3C(O)CH3
  257647.2209  0.0042 -4.4308 3   74.3006140 -5951614041710 8 4    16 9 7 4      C-13-H3C(O)CH3
  257647.2209  0.0017 -4.0600 3   99.1311172 -59516140421 715 4    20 614 4      C-13-H3C(O)CH3
  257647.2209  0.0016 -4.0600 3   99.1311172 -59516140421 715 3    20 614 3      C-13-H3C(O)CH3
  257647.2209  0.0016 -4.0600 3   99.1311172 -59516140421 615 3    20 714 3      C-13-H3C(O)CH3
  257647.2209  0.0017 -4.0600 3   99.1311172 -59516140421 615 4    20 714 4      C-13-H3C(O)CH3
  257665.1422  0.0988 -6.1200 3 1264.2627532  595161404664818 4    664719 4      C-13-H3C(O)CH3
  257668.8738  0.0275 -5.4822 3  642.5562712  5951614044443 1 0    4442 3 0      C-13-H3C(O)CH3
  257668.8738  0.0275 -5.4822 3  642.5562712  5951614044443 2 0    4442 2 0      C-13-H3C(O)CH3
  257697.5417  0.1181 -5.8187 3 1264.2110A64  595161404664818 1    664719 1      C-13-H3C(O)CH3
  257703.6381  0.0045 -4.4303 3   74.2992140 -5951614041710 8 3    16 9 7 3      C-13-H3C(O)CH3
  257706.5095  0.0030 -4.3524 3   51.3002116  5951614041410 4 3    13 9 5 3      C-13-H3C(O)CH3
  257717.8467  0.0018 -3.7588 3   99.1045344 -59516140421 715 1    20 614 1      C-13-H3C(O)CH3
  257717.8467  0.0018 -3.7588 3   99.1045344 -59516140421 615 1    20 714 1      C-13-H3C(O)CH3
  257719.3845  0.0018 -3.7589 3   99.1034344 -59516140421 715 2    20 614 2      C-13-H3C(O)CH3
  257719.3845  0.0018 -3.7589 3   99.1034344 -59516140421 615 2    20 714 2      C-13-H3C(O)CH3
  257731.2644  0.0349 -5.6338 3  918.6041444  595161404554511 3    554412 3      C-13-H3C(O)CH3
  257743.2074  0.0372 -5.6337 3  918.6197444  595161404554510 4    554411 4      C-13-H3C(O)CH3
  257756.3082  0.0356 -5.6338 3  918.6019444  595161404554511 4    554412 4      C-13-H3C(O)CH3
  257763.6865  0.1414 -6.2977 3 1370.8169556  595161404694920 4    694821 4      C-13-H3C(O)CH3
  257768.0017  0.0351 -5.6338 3  918.6176444  595161404554510 3    554411 3      C-13-H3C(O)CH3
  257769.0184  0.1822 -5.9965 3 1370.7709B12  595161404694920 1    694821 1      C-13-H3C(O)CH3
  257771.1430  0.1063 -5.8186 3 1264.2111A64  595161404664818 2    664719 2      C-13-H3C(O)CH3
  257778.7544  0.0056 -4.9535 3  311.6878308  59516140438 830 4    38 731 4      C-13-H3C(O)CH3
  257778.7544  0.0056 -4.9774 3  311.6878308  59516140438 830 4    38 831 4      C-13-H3C(O)CH3
  257778.7544  0.0056 -4.8458 3  311.6878308  59516140438 930 4    38 831 4      C-13-H3C(O)CH3
  257778.7544  0.0056 -5.1306 3  311.6878308  59516140438 930 4    38 731 4      C-13-H3C(O)CH3
  257779.0305  0.0051 -4.6642 3  311.6878308  59516140438 830 3    38 831 3      C-13-H3C(O)CH3
  257779.0305  0.0051 -4.6642 3  311.6878308  59516140438 930 3    38 731 3      C-13-H3C(O)CH3
  257783.3919  0.0273 -5.3327 3  918.5782888  595161404554511 2    554412 2      C-13-H3C(O)CH3
  257783.5558  0.0504 -5.7764 3 1036.3620476  595161404594614 4    594515 4      C-13-H3C(O)CH3
  257788.8346  0.4233 -6.8466 3 1680.4426620  595161404775226 4    775127 4      C-13-H3C(O)CH3
  257789.8732  0.0016 -3.7587 3   99.0769344 -59516140421 615 0    20 714 0      C-13-H3C(O)CH3
  257789.8732  0.0016 -3.7587 3   99.0769344 -59516140421 715 0    20 614 0      C-13-H3C(O)CH3
  257794.8181  0.0280 -5.3326 3  918.5938888  595161404554510 2    554411 2      C-13-H3C(O)CH3
  257803.3212  0.1203 -5.8184 3 1264.1595A64  595161404664818 0    664719 0      C-13-H3C(O)CH3
  257803.4544  0.1203 -5.8184 3 1264.1595A64  595161404664819 0    664720 0      C-13-H3C(O)CH3
  257819.9694  0.0485 -5.7763 3 1036.3808476  595161404594614 3    594515 3      C-13-H3C(O)CH3
  257822.6499  0.0152 -5.6371 3  235.8134456  5951614042823 6 1    2724 4 1      C-13-H3C(O)CH3
  257850.2516  0.1623 -5.9963 3 1370.7648B12  595161404694920 2    694821 2      C-13-H3C(O)CH3
  257851.6422  0.0444 -5.7825 3  642.5146356  5951614044443 2 4    4442 3 4      C-13-H3C(O)CH3
  257855.0539  0.1897 -5.9962 3 1370.7189B12  595161404694920 0    694821 0      C-13-H3C(O)CH3
  257856.0411  0.1896 -5.9962 3 1370.7188B12  595161404694921 0    694822 0      C-13-H3C(O)CH3
  257857.9554  0.0076 -6.9096 3   72.0731140  59516140417 9 9 4    17 612 4      C-13-H3C(O)CH3
  257859.4649  0.0056 -6.9096 3   72.0730140  59516140417 9 9 3    17 612 3      C-13-H3C(O)CH3
  257861.6185  0.1187 -6.2052 3 1358.9613572  595161404713734 4    713635 4      C-13-H3C(O)CH3
  257861.6558  0.1187 -6.2052 3 1358.9612572  595161404713734 3    713635 3      C-13-H3C(O)CH3
  257865.0325  0.0115 -6.2469 3  177.7538408  5951614042518 7 1    251511 1      C-13-H3C(O)CH3
  257872.3947  0.1180 -6.2052 3 1358.9613572  595161404713834 4    713735 4      C-13-H3C(O)CH3
  257872.4455  0.1179 -6.2052 3 1358.9613572  595161404713834 3    713735 3      C-13-H3C(O)CH3
  257877.8039  0.0144 -5.6354 3  235.8516456  5951614042823 5 2    2724 3 2      C-13-H3C(O)CH3
  257880.5777  0.0331 -5.4816 3  642.5447712  5951614044443 2 1    4442 3 1      C-13-H3C(O)CH3
  257883.8261  0.0273 -5.3324 3  918.5830888  595161404554510 1    554411 1      C-13-H3C(O)CH3
  257892.4291  0.1140 -5.9041 3 1358.9448B44  595161404713734 1    713635 1      C-13-H3C(O)CH3
  257894.0211  0.0492 -5.7761 3 1036.3880476  595161404594613 3    594514 3      C-13-H3C(O)CH3
  257894.4466  0.0040 -4.1291 3   74.2666280 -5951614041710 8 1    16 9 7 1      C-13-H3C(O)CH3
  257902.3630  0.1192 -5.9041 3 1358.9480B44  595161404713734 2    713635 2      C-13-H3C(O)CH3
  257902.9178  0.1142 -5.9041 3 1358.9448B44  595161404713834 1    713735 1      C-13-H3C(O)CH3
  257907.0729  0.4838 -6.5457 3 1680.4478C40  595161404775226 1    775127 1      C-13-H3C(O)CH3
  257908.8953  0.0277 -5.3324 3  918.5809888  595161404554511 1    554412 1      C-13-H3C(O)CH3
  257911.4428  0.0046 -4.3976 3  311.6998616 -59516140438 930 2    38 831 2      C-13-H3C(O)CH3
  257911.4428  0.0046 -4.3976 3  311.6998616 -59516140438 830 2    38 731 2      C-13-H3C(O)CH3
  257911.4707  0.0046 -5.4738 3  311.6998616  59516140438 930 2    38 731 2      C-13-H3C(O)CH3
  257911.4707  0.0046 -5.4738 3  311.6998616  59516140438 830 2    38 831 2      C-13-H3C(O)CH3
  257912.1141  0.1185 -5.9040 3 1358.9481B44  595161404713834 2    713735 2      C-13-H3C(O)CH3
  257914.4174  0.0047 -4.9871 3  311.7005616  59516140438 830 1    38 831 1      C-13-H3C(O)CH3
  257914.4174  0.0047 -4.9871 3  311.7005616  59516140438 930 1    38 731 1      C-13-H3C(O)CH3
  257914.4690  0.0047 -4.4804 3  311.7005616 -59516140438 930 1    38 831 1      C-13-H3C(O)CH3
  257914.4690  0.0047 -4.4804 3  311.7005616 -59516140438 830 1    38 731 1      C-13-H3C(O)CH3
  257918.3025  0.0406 -5.4750 3 1036.3420952  595161404594614 2    594515 2      C-13-H3C(O)CH3
  257924.9801  0.0458 -5.7826 3  642.5748356  5951614044443 1 3    4442 2 3      C-13-H3C(O)CH3
  257930.1477  0.0495 -5.7760 3 1036.4068476  595161404594613 4    594514 4      C-13-H3C(O)CH3
  257933.0826  0.1142 -5.9039 3 1358.9316B44  595161404713734 0    713635 0      C-13-H3C(O)CH3
  257933.9751  0.6679 -6.9732 3 1680.4679620  595161404775226 3    775127 3      C-13-H3C(O)CH3
  257935.0557  0.0233 -5.3323 3  918.5571888  595161404554510 0    554411 0      C-13-H3C(O)CH3
  257935.0557  0.0233 -5.3323 3  918.5571888  595161404554511 0    554412 0      C-13-H3C(O)CH3
  257939.1092  0.0375 -5.4817 3  642.5776712  5951614044443 1 2    4442 2 2      C-13-H3C(O)CH3
  257942.5567  0.1144 -5.9039 3 1358.9316B44  595161404713834 0    713735 0      C-13-H3C(O)CH3
  257954.0438  0.0333 -5.4817 3  642.6050712  5951614044443 1 1    4442 2 1      C-13-H3C(O)CH3
  257962.3585  0.0199 -5.2443 3  784.8492808  5951614045044 7 2    5043 8 2      C-13-H3C(O)CH3
  257975.5286  0.0153 -5.6357 3  235.8332456  5951614042823 5 1    2724 3 1      C-13-H3C(O)CH3
  257998.4544  0.0155 -5.6358 3  235.8220456  5951614042823 6 2    2724 4 2      C-13-H3C(O)CH3
  258002.0685  0.0026 -4.0450 3   51.2232232 -5951614041410 4 0    13 9 5 0      C-13-H3C(O)CH3
  258003.2503  0.0118 -6.2907 3  177.7494408  5951614042518 7 2    251511 2      C-13-H3C(O)CH3
  258005.9234  0.0383 -5.4748 3 1036.3387952  595161404594614 1    594515 1      C-13-H3C(O)CH3
  258011.1667  0.0272 -5.5451 3  784.8567404  5951614045044 7 4    5043 8 4      C-13-H3C(O)CH3
  258027.5599  0.0044 -4.1291 3   74.2597280 -5951614041710 8 2    16 9 7 2      C-13-H3C(O)CH3
  258028.2166  0.0405 -5.4747 3 1036.3680952  595161404594613 2    594514 2      C-13-H3C(O)CH3
  258042.0297  0.0369 -5.4747 3 1036.3575952  595161404594613 1    594514 1      C-13-H3C(O)CH3
  258046.5953  0.0043 -4.3638 3  311.7125616 -59516140438 930 0    38 831 0      C-13-H3C(O)CH3
  258046.5953  0.0043 -4.3638 3  311.7125616 -59516140438 830 0    38 731 0      C-13-H3C(O)CH3
  258046.6270  0.0043 -6.7690 3  311.7125616  59516140438 930 0    38 731 0      C-13-H3C(O)CH3
  258046.6270  0.0043 -6.7690 3  311.7125616  59516140438 830 0    38 831 0      C-13-H3C(O)CH3
  258050.7657  0.0206 -6.7338 3  177.7478408  5951614042518 7 2    2419 6 2      C-13-H3C(O)CH3
  258083.9124  0.0244 -5.5452 3  784.8814404  5951614045044 6 3    5043 7 3      C-13-H3C(O)CH3
  258086.6599  0.6771 -6.9729 3 1680.4703620  595161404775225 3    775126 3      C-13-H3C(O)CH3
  258094.5078  0.0184 -5.2442 3  784.8391808  5951614045044 6 0    5043 8 0      C-13-H3C(O)CH3
  258094.5078  0.0184 -5.2442 3  784.8391808  5951614045044 7 0    5043 7 0      C-13-H3C(O)CH3
  258099.4756  0.0205 -5.2441 3  784.8570808  5951614045044 6 2    5043 7 2      C-13-H3C(O)CH3
  258104.6224  0.4313 -6.5452 3 1680.4290C40  595161404775226 2    775127 2      C-13-H3C(O)CH3
  258110.3820  0.0160 -5.9362 3  235.7833228  5951614042823 5 3    2724 3 3      C-13-H3C(O)CH3
  258114.6791  0.0059 -6.6039 3   72.0339280  59516140417 9 9 2    17 612 2      C-13-H3C(O)CH3
  258139.8297  0.0359 -5.4744 3 1036.3187952  595161404594613 0    594514 0      C-13-H3C(O)CH3
  258139.8299  0.0359 -5.4744 3 1036.3187952  595161404594614 0    594515 0      C-13-H3C(O)CH3
  258143.9402  0.0208 -5.2440 3  784.8466808  5951614045044 7 1    5043 8 1      C-13-H3C(O)CH3
  258147.7901  0.0118 -5.2344 3   53.0762232 -5951614041411 4 1    1310 3 1      C-13-H3C(O)CH3
  258147.8937  0.0265 -5.5450 3  784.8644404  5951614045044 7 3    5043 8 3      C-13-H3C(O)CH3
  258151.2407  0.0481 -5.7821 3  642.5661356  5951614044443 2 3    4442 3 3      C-13-H3C(O)CH3
  258154.4914  0.0158 -6.5049 3  177.7467204  5951614042518 7 4    251511 4      C-13-H3C(O)CH3
  258155.8830  0.0058 -6.6051 3   72.0349280  59516140417 9 9 1    17 612 1      C-13-H3C(O)CH3
  258160.3929  0.0043 -4.1126 3   51.2586232 -5951614041410 4 2    13 9 5 2      C-13-H3C(O)CH3
  258170.9557  0.0062 -5.2784 3  288.7569300  59516140437 730 4    37 731 4      C-13-H3C(O)CH3
  258170.9557  0.0062 -4.7925 3  288.7569300  59516140437 730 4    37 631 4      C-13-H3C(O)CH3
  258170.9557  0.0062 -4.7925 3  288.7569300  59516140437 830 4    37 731 4      C-13-H3C(O)CH3
  258170.9557  0.0062 -5.2784 3  288.7569300  59516140437 830 4    37 631 4      C-13-H3C(O)CH3
  258171.2170  0.0056 -4.8960 3  288.7568300  59516140437 730 3    37 731 3      C-13-H3C(O)CH3
  258171.2170  0.0056 -4.8960 3  288.7568300  59516140437 830 3    37 631 3      C-13-H3C(O)CH3
  258171.2170  0.0056 -5.0611 3  288.7568300  59516140437 830 3    37 731 3      C-13-H3C(O)CH3
  258171.2170  0.0056 -5.0611 3  288.7568300  59516140437 730 3    37 631 3      C-13-H3C(O)CH3
  258193.5349  0.4656 -6.5444 3 1680.4354C40  595161404775225 0    775126 0      C-13-H3C(O)CH3
  258210.4469  0.0146 -6.1398 3  190.2898212  5951614042618 9 4    261512 4      C-13-H3C(O)CH3
  258217.0574  0.0190 -5.2440 3  784.8713808  5951614045044 6 1    5043 7 1      C-13-H3C(O)CH3
  258221.7635  0.0266 -5.5450 3  784.8890404  5951614045044 6 4    5043 7 4      C-13-H3C(O)CH3
  258222.1275  0.4371 -6.5450 3 1680.4749C40  595161404775225 1    775126 1      C-13-H3C(O)CH3
  258226.4402  0.0508 -5.7822 3  642.6264356  5951614044443 1 4    4442 2 4      C-13-H3C(O)CH3
  258228.3984  0.4383 -6.5450 3 1680.4551C40  595161404775225 2    775126 2      C-13-H3C(O)CH3
  258230.1209  0.0166 -5.9366 3  235.7537228  5951614042823 6 4    2724 4 4      C-13-H3C(O)CH3
  258231.3766  0.4039 -6.8457 3 1680.4956620  595161404775225 4    775126 4      C-13-H3C(O)CH3
  258244.3268  0.0037 -4.1287 3   74.2266280 -5951614041710 8 0    16 9 7 0      C-13-H3C(O)CH3
  258249.5759  0.4643 -6.5442 3 1680.4332C40  595161404775226 0    775127 0      C-13-H3C(O)CH3
  258260.4126  0.0044 -4.1315 3   51.2573232  5951614041410 4 1    13 9 5 1      C-13-H3C(O)CH3
  258264.7042  0.0185 -5.9348 3  235.8030228  5951614042823 5 4    2724 3 4      C-13-H3C(O)CH3
  258293.2235  0.0068 -4.7021 3  654.5415824  595161404512131 0    512032 0      C-13-H3C(O)CH3
  258293.2235  0.0068 -4.7021 3  654.5415824  595161404512031 0    511932 0      C-13-H3C(O)CH3
  258340.6531  0.0047 -5.5210 3  288.7618600 -59516140437 830 2    37 731 2      C-13-H3C(O)CH3
  258340.6531  0.0047 -5.5210 3  288.7618600 -59516140437 730 2    37 631 2      C-13-H3C(O)CH3
  258340.6734  0.0047 -4.3996 3  288.7618600  59516140437 830 2    37 631 2      C-13-H3C(O)CH3
  258340.6734  0.0047 -4.3996 3  288.7618600  59516140437 730 2    37 731 2      C-13-H3C(O)CH3
  258343.3958  0.0049 -4.3754 3  288.7624600  59516140437 730 1    37 731 1      C-13-H3C(O)CH3
  258343.3958  0.0049 -4.3754 3  288.7624600  59516140437 830 1    37 631 1      C-13-H3C(O)CH3
  258343.4422  0.0049 -6.1414 3  288.7624600 -59516140437 730 1    37 631 1      C-13-H3C(O)CH3
  258343.4422  0.0049 -6.1414 3  288.7624600 -59516140437 830 1    37 731 1      C-13-H3C(O)CH3
  258348.8813  0.0091 -4.7018 3  654.5250824  595161404512031 2    511932 2      C-13-H3C(O)CH3
  258348.8813  0.0091 -4.7018 3  654.5250824  595161404512131 2    512032 2      C-13-H3C(O)CH3
  258349.4205  0.0076 -4.7018 3  654.5257824  595161404512131 1    512032 1      C-13-H3C(O)CH3
  258349.4205  0.0076 -4.7018 3  654.5257824  595161404512031 1    511932 1      C-13-H3C(O)CH3
  258383.6042  0.0154 -5.9352 3  235.7734228  5951614042823 6 3    2724 4 3      C-13-H3C(O)CH3
  258397.5033  0.0114 -5.6326 3  247.7359488  595161404301812 2    301515 2      C-13-H3C(O)CH3
  258405.1640  0.0091 -5.0025 3  654.5091412  595161404512031 3    511932 3      C-13-H3C(O)CH3
  258405.1640  0.0091 -5.0025 3  654.5091412  595161404512131 3    512032 3      C-13-H3C(O)CH3
  258405.2629  0.0091 -5.0025 3  654.5091412  595161404512131 4    512032 4      C-13-H3C(O)CH3
  258405.2629  0.0091 -5.0025 3  654.5091412  595161404512031 4    511932 4      C-13-H3C(O)CH3
  258411.4813  0.0056 -6.6002 3   71.9959280  59516140417 9 9 0    17 612 0      C-13-H3C(O)CH3
  258426.5942  0.0123 -5.1454 3   53.0751232  5951614041411 4 2    1310 3 2      C-13-H3C(O)CH3
  258442.1703  0.0102 -5.6323 3  247.7563488  595161404301812 0    301515 0      C-13-H3C(O)CH3
  258497.6793  0.0193 -6.9873 3  177.7327408  5951614042518 7 1    2419 6 1      C-13-H3C(O)CH3
  258512.5425  0.0045 -4.3804 3  288.7674600  59516140437 730 0    37 731 0      C-13-H3C(O)CH3
  258512.5425  0.0045 -4.3804 3  288.7674600  59516140437 830 0    37 631 0      C-13-H3C(O)CH3
  258512.5809  0.0045 -5.8920 3  288.7674600 -59516140437 730 0    37 631 0      C-13-H3C(O)CH3
  258512.5809  0.0045 -5.8920 3  288.7674600 -59516140437 830 0    37 731 0      C-13-H3C(O)CH3
  258516.0947  0.0176 -6.5074 3  165.5891196  5951614042418 7 4    241510 4      C-13-H3C(O)CH3
  258529.7972  0.0071 -4.9794 3  266.4182292  59516140436 630 4    36 631 4      C-13-H3C(O)CH3
  258529.7972  0.0071 -4.9933 3  266.4182292  59516140436 730 4    36 631 4      C-13-H3C(O)CH3
  258529.7972  0.0071 -4.9794 3  266.4182292  59516140436 730 4    36 531 4      C-13-H3C(O)CH3
  258529.7972  0.0071 -4.9933 3  266.4182292  59516140436 630 4    36 531 4      C-13-H3C(O)CH3
  258530.0168  0.0064 -4.8738 3  266.4181292  59516140436 630 3    36 531 3      C-13-H3C(O)CH3
  258530.0168  0.0064 -5.1385 3  266.4181292  59516140436 630 3    36 631 3      C-13-H3C(O)CH3
  258530.0168  0.0064 -5.1385 3  266.4181292  59516140436 730 3    36 531 3      C-13-H3C(O)CH3
  258530.0168  0.0064 -4.8738 3  266.4181292  59516140436 730 3    36 631 3      C-13-H3C(O)CH3
  258543.0461  0.0334 -5.7346 3  621.9886696  5951614044343 0 0    4342 1 0      C-13-H3C(O)CH3
  258543.0461  0.0334 -5.7346 3  621.9886696  5951614044343 1 0    4342 2 0      C-13-H3C(O)CH3
  258552.9927  0.0398 -5.7343 3  621.9516696  5951614044343 1 2    4342 2 2      C-13-H3C(O)CH3
  258635.3801  0.0017 -3.9990 3  103.3801180 -59516140422 517 3    21 616 3      C-13-H3C(O)CH3
  258635.3801  0.0017 -3.9990 3  103.3801180 -59516140422 617 3    21 516 3      C-13-H3C(O)CH3
  258635.3801  0.0018 -3.9990 3  103.3801180 -59516140422 617 4    21 516 4      C-13-H3C(O)CH3
  258635.3801  0.0018 -3.9990 3  103.3801180 -59516140422 517 4    21 616 4      C-13-H3C(O)CH3
  258648.0819  0.0097 -5.7921 3  190.2996424  5951614042618 9 1    261512 1      C-13-H3C(O)CH3
  258667.3056  0.0247 -7.0074 3  749.4795872  595161404542331 1    532628 1      C-13-H3C(O)CH3
  258667.5253  0.0247 -7.0074 3  749.4795872  595161404542431 1    532528 1      C-13-H3C(O)CH3
  258673.6544  0.0282 -7.0063 3  749.4790872  595161404542331 2    532628 2      C-13-H3C(O)CH3
  258673.8728  0.0282 -7.0063 3  749.4790872  595161404542431 2    532528 2      C-13-H3C(O)CH3
  258690.8261  0.0203 -7.0078 3  749.4831872  595161404542331 0    532628 0      C-13-H3C(O)CH3
  258691.0221  0.0203 -7.0078 3  749.4831872  595161404542431 0    532528 0      C-13-H3C(O)CH3
  258691.5528  0.0156 -5.9361 3  247.7206244  595161404301812 4    301515 4      C-13-H3C(O)CH3
  258696.9478  0.0019 -3.6978 3  103.3507360 -59516140422 517 1    21 616 1      C-13-H3C(O)CH3
  258696.9478  0.0019 -3.6978 3  103.3507360 -59516140422 617 1    21 516 1      C-13-H3C(O)CH3
  258697.6417  0.0136 -5.9361 3  247.7206244  595161404301812 3    301515 3      C-13-H3C(O)CH3
  258697.8800  0.0019 -3.6979 3  103.3498360 -59516140422 517 2    21 616 2      C-13-H3C(O)CH3
  258697.8800  0.0019 -3.6979 3  103.3498360 -59516140422 617 2    21 516 2      C-13-H3C(O)CH3
  258725.1649  0.0087 -6.0467 3  190.2899212  5951614042618 9 3    261512 3      C-13-H3C(O)CH3
  258735.3207  0.0114 -5.6349 3  247.7410488  595161404301812 1    301515 1      C-13-H3C(O)CH3
  258737.0770  0.0156 -5.9275 3  279.6224520  595161404321814 2    312111 2      C-13-H3C(O)CH3
  258740.2103  0.0052 -4.8671 3  266.4146584 -59516140436 630 2    36 531 2      C-13-H3C(O)CH3
  258740.2103  0.0052 -4.8671 3  266.4146584 -59516140436 730 2    36 631 2      C-13-H3C(O)CH3
  258740.2375  0.0052 -4.5560 3  266.4146584  59516140436 730 2    36 531 2      C-13-H3C(O)CH3
  258740.2375  0.0052 -4.5560 3  266.4146584  59516140436 630 2    36 631 2      C-13-H3C(O)CH3
  258742.6722  0.0056 -4.4196 3  266.4152584  59516140436 730 1    36 631 1      C-13-H3C(O)CH3
  258742.6722  0.0056 -4.4196 3  266.4152584  59516140436 630 1    36 531 1      C-13-H3C(O)CH3
  258742.7002  0.0056 -5.4805 3  266.4152584 -59516140436 630 1    36 631 1      C-13-H3C(O)CH3
  258742.7002  0.0056 -5.4805 3  266.4152584 -59516140436 730 1    36 531 1      C-13-H3C(O)CH3
  258743.5738  0.0191 -5.1079 3  910.7859952  595161404592732 0    592633 0      C-13-H3C(O)CH3
  258743.5790  0.0191 -5.1079 3  910.7859952  595161404592832 0    592733 0      C-13-H3C(O)CH3
  258759.3792  0.0017 -3.6977 3  103.3205360 -59516140422 517 0    21 616 0      C-13-H3C(O)CH3
  258759.3792  0.0017 -3.6977 3  103.3205360 -59516140422 617 0    21 516 0      C-13-H3C(O)CH3
  258766.0292  0.0208 -5.1077 3  910.7931952  595161404592732 1    592633 1      C-13-H3C(O)CH3
  258766.0356  0.0208 -5.1077 3  910.7931952  595161404592832 1    592733 1      C-13-H3C(O)CH3
  258769.0769  0.0259 -5.1077 3  910.7937952  595161404592732 2    592633 2      C-13-H3C(O)CH3
  258769.0829  0.0259 -5.1077 3  910.7937952  595161404592832 2    592733 2      C-13-H3C(O)CH3
  258779.3292  0.0039 -3.9936 3   51.1588108  5951614041313 1 4    1212 1 4      C-13-H3C(O)CH3
  258791.5882  0.0265 -5.4086 3  910.8008476  595161404592732 3    592633 3      C-13-H3C(O)CH3
  258791.5955  0.0265 -5.4086 3  910.8008476  595161404592832 3    592733 3      C-13-H3C(O)CH3
  258791.6861  0.0266 -5.4086 3  910.8008476  595161404592732 4    592633 4      C-13-H3C(O)CH3
  258791.6933  0.0266 -5.4086 3  910.8008476  595161404592832 4    592733 4      C-13-H3C(O)CH3
  258792.5306  0.0392 -5.7339 3  621.9758696  5951614044343 1 1    4342 2 1      C-13-H3C(O)CH3
  258793.7937  0.0036 -3.9937 3   51.2445108  5951614041313 0 3    1212 0 3      C-13-H3C(O)CH3
  258802.4563  0.0524 -6.0347 3  621.9388348  5951614044343 1 4    4342 2 4      C-13-H3C(O)CH3
  258826.8416  0.0037 -3.9936 3   51.2410108  5951614041313 1 3    1212 1 3      C-13-H3C(O)CH3
  258841.6129  0.0030 -3.9937 3   51.3268108  5951614041313 0 4    1212 0 4      C-13-H3C(O)CH3
  258853.1077  0.0403 -5.7341 3  622.0424696  5951614044343 0 1    4342 1 1      C-13-H3C(O)CH3
  258857.1039  0.0083 -4.8412 3  244.6727284  59516140435 530 4    35 531 4      C-13-H3C(O)CH3
  258857.1039  0.0083 -4.8412 3  244.6727284  59516140435 630 4    35 431 4      C-13-H3C(O)CH3
  258857.1039  0.0083 -5.3097 3  244.6727284  59516140435 630 4    35 531 4      C-13-H3C(O)CH3
  258857.1039  0.0083 -5.3097 3  244.6727284  59516140435 530 4    35 431 4      C-13-H3C(O)CH3
  258857.2482  0.0075 -5.3776 3  244.6727284  59516140435 630 3    35 531 3      C-13-H3C(O)CH3
  258857.2482  0.0075 -4.8204 3  244.6727284  59516140435 530 3    35 531 3      C-13-H3C(O)CH3
  258857.2482  0.0075 -4.8204 3  244.6727284  59516140435 630 3    35 431 3      C-13-H3C(O)CH3
  258857.2482  0.0075 -5.3776 3  244.6727284  59516140435 530 3    35 431 3      C-13-H3C(O)CH3
  258862.9713  0.0548 -6.0348 3  622.0052348  5951614044343 1 3    4342 1 3      C-13-H3C(O)CH3
  258874.5327  0.0475 -5.7339 3  622.0134696  5951614044343 0 2    4342 1 2      C-13-H3C(O)CH3
  258945.5859  0.0080 -4.5747 3   51.2864116  5951614041410 4 4    13 9 5 4      C-13-H3C(O)CH3
  258948.2352  0.0137 -5.9245 3  279.6422520  595161404321814 0    312111 0      C-13-H3C(O)CH3
  258952.4896  0.0050 -4.3839 3  266.4116584  59516140436 630 0    36 631 0      C-13-H3C(O)CH3
  258952.4896  0.0050 -4.3839 3  266.4116584  59516140436 730 0    36 531 0      C-13-H3C(O)CH3
  258952.4981  0.0050 -6.8633 3  266.4116584 -59516140436 630 0    36 531 0      C-13-H3C(O)CH3
  258952.4981  0.0050 -6.8633 3  266.4116584 -59516140436 730 0    36 631 0      C-13-H3C(O)CH3
  259033.7457  0.8006 -7.1037 3 1981.8392D52  595161404845529 0    845430 0      C-13-H3C(O)CH3
  259042.2565  0.0036 -3.6917 3   51.1812216 -5951614041313 1 1    1212 1 1      C-13-H3C(O)CH3
  259055.5188  0.0087 -5.7647 3  190.2946424  5951614042618 9 2    261512 2      C-13-H3C(O)CH3
  259057.4759  0.0034 -3.6916 3   51.1921216 -5951614041313 1 2    1212 1 2      C-13-H3C(O)CH3
  259057.4759  0.0030 -3.6918 3   51.2669216 -5951614041313 0 1    1212 0 1      C-13-H3C(O)CH3
  259072.0589  0.0121 -6.4318 3  505.7762712  595161404442024 1    432321 1      C-13-H3C(O)CH3
  259074.6609  0.0136 -6.7317 3  505.7521356  595161404442024 4    432321 4      C-13-H3C(O)CH3
  259074.6967  0.0136 -6.7317 3  505.7521356  595161404442024 3    432321 3      C-13-H3C(O)CH3
  259074.7655  0.0199 -6.2357 3  279.5968260  595161404321814 3    312111 3      C-13-H3C(O)CH3
  259084.7641  0.0154 -5.6304 3  119.3254172  5951614042113 8 4    2014 6 4      C-13-H3C(O)CH3
  259097.3620  0.0203 -6.2380 3  279.5963260  595161404321814 4    312111 4      C-13-H3C(O)CH3
  259105.7527  0.0032 -3.6916 3   51.2743216 -5951614041313 0 2    1212 0 2      C-13-H3C(O)CH3
  259111.9623  0.0066 -4.6127 3  244.6591568 -59516140435 530 2    35 431 2      C-13-H3C(O)CH3
  259111.9623  0.0066 -4.6127 3  244.6591568 -59516140435 630 2    35 531 2      C-13-H3C(O)CH3
  259111.9712  0.0066 -4.8435 3  244.6591568  59516140435 530 2    35 531 2      C-13-H3C(O)CH3
  259111.9712  0.0066 -4.8435 3  244.6591568  59516140435 630 2    35 431 2      C-13-H3C(O)CH3
  259112.1323  0.0103 -6.4310 3  505.7967712  595161404442024 0    432321 0      C-13-H3C(O)CH3
  259114.0270  0.0071 -5.1454 3  244.6597568 -59516140435 630 1    35 531 1      C-13-H3C(O)CH3
  259114.0270  0.0071 -4.5008 3  244.6597568 -59516140435 530 1    35 531 1      C-13-H3C(O)CH3
  259114.0575  0.0071 -4.5008 3  244.6597568  59516140435 630 1    35 431 1      C-13-H3C(O)CH3
  259114.0575  0.0071 -5.1454 3  244.6597568  59516140435 530 1    35 431 1      C-13-H3C(O)CH3
  259115.0465  0.0133 -6.4298 3  505.7726712  595161404442024 2    432321 2      C-13-H3C(O)CH3
  259125.0919  0.0591 -6.0343 3  622.0005348  5951614044343 0 3    4342 2 3      C-13-H3C(O)CH3
  259154.6286  0.0098 -4.7619 3  223.5216276  59516140434 530 4    34 431 4      C-13-H3C(O)CH3
  259154.6286  0.0098 -4.7619 3  223.5216276  59516140434 430 4    34 331 4      C-13-H3C(O)CH3
  259154.6563  0.0089 -4.7773 3  223.5216276  59516140434 430 3    34 331 3      C-13-H3C(O)CH3
  259154.6563  0.0089 -6.2155 3  223.5216276  59516140434 430 3    34 431 3      C-13-H3C(O)CH3
  259154.6563  0.0089 -4.7773 3  223.5216276  59516140434 530 3    34 431 3      C-13-H3C(O)CH3
  259154.6563  0.0089 -6.2155 3  223.5216276  59516140434 530 3    34 331 3      C-13-H3C(O)CH3
  259160.8878  0.0098 -6.6855 3   20.6540152  595161404 9 9 1 0     8 6 2 0      C-13-H3C(O)CH3
  259187.4728  0.0616 -6.0344 3  622.0671348  5951614044343 0 4    4342 1 4      C-13-H3C(O)CH3
  259193.0808  0.0121 -6.4314 3  505.7722712  595161404442124 1    432221 1      C-13-H3C(O)CH3
  259201.7657  0.0139 -6.7313 3  505.7478356  595161404442124 4    432221 4      C-13-H3C(O)CH3
  259202.0971  0.0139 -6.7313 3  505.7479356  595161404442124 3    432221 3      C-13-H3C(O)CH3
  259230.0342  0.0103 -6.4305 3  505.7928712  595161404442124 0    432221 0      C-13-H3C(O)CH3
  259237.6540  0.0063 -4.6564 3  624.0014808  595161404502031 0    501932 0      C-13-H3C(O)CH3
  259237.6540  0.0063 -4.6569 3  624.0014808  595161404501931 0    501832 0      C-13-H3C(O)CH3
  259239.1229  0.0134 -6.4293 3  505.7685712  595161404442124 2    432221 2      C-13-H3C(O)CH3
  259246.7114  0.0101 -5.7449 3  119.2983344  5951614042113 8 2    2014 6 2      C-13-H3C(O)CH3
  259273.0167  0.0204 -5.2560 3  761.3040792  5951614044944 6 2    4943 7 2      C-13-H3C(O)CH3
  259287.0457  0.0165 -5.9327 3  279.6166520  595161404321814 1    312111 1      C-13-H3C(O)CH3
  259289.0352  0.0074 -5.7329 3  190.3044424  5951614042618 9 0    261512 0      C-13-H3C(O)CH3
  259292.5181  0.0081 -4.6562 3  623.9817808  595161404501931 2    501832 2      C-13-H3C(O)CH3
  259292.5181  0.0081 -4.6561 3  623.9817808  595161404502031 2    501932 2      C-13-H3C(O)CH3
  259293.4587  0.0070 -4.6563 3  623.9825808  595161404501931 1    501832 1      C-13-H3C(O)CH3
  259293.4587  0.0070 -4.6563 3  623.9825808  595161404502031 1    501932 1      C-13-H3C(O)CH3
  259303.4140  0.0688 -5.9135 3 1132.1440500  595161404624716 4    624617 4      C-13-H3C(O)CH3
  259320.8138  0.0031 -3.6907 3   51.2145216 -5951614041313 0 0    1212 1 0      C-13-H3C(O)CH3
  259320.8138  0.0031 -3.6907 3   51.2145216 -5951614041313 1 0    1212 0 0      C-13-H3C(O)CH3
  259348.4075  0.0081 -4.9570 3  623.9628404  595161404501931 3    501832 3      C-13-H3C(O)CH3
  259348.4075  0.0081 -4.9569 3  623.9628404  595161404502031 3    501932 3      C-13-H3C(O)CH3
  259348.4888  0.0082 -4.9569 3  623.9627404  595161404501931 4    501832 4      C-13-H3C(O)CH3
  259348.4888  0.0082 -4.9569 3  623.9627404  595161404502031 4    501932 4      C-13-H3C(O)CH3
  259354.5068  0.0279 -5.5567 3  761.3083396  5951614044944 6 4    4943 7 4      C-13-H3C(O)CH3
  259368.2671  0.0062 -4.4223 3  244.6461568  59516140435 530 0    35 431 0      C-13-H3C(O)CH3
  259368.2671  0.0062 -4.4223 3  244.6461568  59516140435 630 0    35 531 0      C-13-H3C(O)CH3
  259368.2761  0.0062 -5.9973 3  244.6461568 -59516140435 530 0    35 531 0      C-13-H3C(O)CH3
  259368.2761  0.0062 -5.9973 3  244.6461568 -59516140435 630 0    35 431 0      C-13-H3C(O)CH3
  259383.8594  0.0678 -5.9134 3 1132.1724500  595161404624716 3    624617 3      C-13-H3C(O)CH3
  259390.6156  0.0188 -5.2559 3  761.3010792  5951614044944 6 0    4943 7 0      C-13-H3C(O)CH3
  259390.6156  0.0188 -5.2559 3  761.3010792  5951614044944 5 0    4943 6 0      C-13-H3C(O)CH3
  259423.9217  0.0108 -6.2904 3  202.9656268  59516140433 330 3    33 331 3      C-13-H3C(O)CH3
  259423.9217  0.0108 -4.8541 3  202.9656268  59516140433 430 3    33 331 3      C-13-H3C(O)CH3
  259423.9217  0.0108 -4.8541 3  202.9656268  59516140433 330 3    33 231 3      C-13-H3C(O)CH3
  259423.9217  0.0108 -6.2904 3  202.9656268  59516140433 430 3    33 231 3      C-13-H3C(O)CH3
  259424.0599  0.0117 -4.8390 3  202.9657268  59516140433 430 4    33 331 4      C-13-H3C(O)CH3
  259424.0599  0.0117 -4.8390 3  202.9657268  59516140433 330 4    33 231 4      C-13-H3C(O)CH3
  259429.4047  0.0255 -5.5568 3  761.3393396  5951614044944 5 3    4943 6 3      C-13-H3C(O)CH3
  259446.9085  0.0205 -5.2558 3  761.3188792  5951614044944 5 2    4943 6 2      C-13-H3C(O)CH3
  259450.3076  0.0120 -6.2100 3  165.5940392  5951614042418 7 1    241510 1      C-13-H3C(O)CH3
  259456.0831  0.0098 -6.8459 3   20.7180152  595161404 9 9 0 1     8 6 2 1      C-13-H3C(O)CH3
  259457.5767  0.0089 -4.4771 3  223.4964552  59516140434 530 2    34 431 2      C-13-H3C(O)CH3
  259457.5767  0.0089 -4.4993 3  223.4964552  59516140434 430 2    34 331 2      C-13-H3C(O)CH3
  259457.5767  0.0089 -5.8555 3  223.4964552  59516140434 530 2    34 331 2      C-13-H3C(O)CH3
  259457.5767  0.0089 -5.5153 3  223.4964552  59516140434 430 2    34 431 2      C-13-H3C(O)CH3
  259459.1323  0.0642 -5.9132 3 1132.1750500  595161404624715 3    624616 3      C-13-H3C(O)CH3
  259459.1709  0.0096 -5.6907 3  223.4969552 -59516140434 530 1    34 331 1      C-13-H3C(O)CH3
  259459.1709  0.0096 -5.6907 3  223.4969552 -59516140434 430 1    34 431 1      C-13-H3C(O)CH3
  259459.2573  0.0096 -4.4857 3  223.4969552  59516140434 430 1    34 331 1      C-13-H3C(O)CH3
  259459.2573  0.0096 -4.4857 3  223.4969552  59516140434 530 1    34 431 1      C-13-H3C(O)CH3
  259472.7935  0.0210 -5.2556 3  761.3053792  5951614044944 6 1    4943 7 1      C-13-H3C(O)CH3
  259476.0345  0.0106 -5.6071 3  119.3007344  5951614042113 8 1    2014 6 1      C-13-H3C(O)CH3
  259484.7445  0.0572 -5.7777 3 1124.7522524  595161404653233 3    653134 3      C-13-H3C(O)CH3
  259484.7695  0.0573 -5.7777 3 1124.7522524  595161404653233 4    653134 4      C-13-H3C(O)CH3
  259485.0922  0.0572 -5.7777 3 1124.7522524  595161404653333 3    653234 3      C-13-H3C(O)CH3
  259485.1157  0.0573 -5.7777 3 1124.7522524  595161404653333 4    653234 4      C-13-H3C(O)CH3
  259494.0258  0.0512 -5.4767 3 1124.7349A48  595161404653233 1    653134 1      C-13-H3C(O)CH3
  259494.3503  0.0512 -5.4767 3 1124.7349A48  595161404653333 1    653234 1      C-13-H3C(O)CH3
  259498.0006  0.0352 -5.6138 3  892.5608436  5951614045445 9 4    544410 4      C-13-H3C(O)CH3
  259499.6874  0.0563 -5.4767 3 1124.7368A48  595161404653233 2    653134 2      C-13-H3C(O)CH3
  259499.9878  0.0563 -5.4767 3 1124.7368A48  595161404653333 2    653234 2      C-13-H3C(O)CH3
  259501.7871  0.0598 -5.6120 3 1132.1270A00  595161404624716 2    624617 2      C-13-H3C(O)CH3
  259508.9797  0.0503 -5.4766 3 1124.7195A48  595161404653233 0    653134 0      C-13-H3C(O)CH3
  259509.2598  0.0503 -5.4766 3 1124.7195A48  595161404653333 0    653234 0      C-13-H3C(O)CH3
  259526.8813  0.0333 -5.6138 3  892.5488436  595161404544510 3    544411 3      C-13-H3C(O)CH3
  259528.2100  0.0270 -5.5565 3  761.3231396  5951614044944 6 3    4943 7 3      C-13-H3C(O)CH3
  259528.5966  0.0261 -5.3128 3  892.5388872  5951614045445 9 2    544410 2      C-13-H3C(O)CH3
  259539.0874  0.0650 -5.9130 3 1132.2035500  595161404624715 4    624616 4      C-13-H3C(O)CH3
  259539.2552  0.0324 -5.6139 3  892.5638436  5951614045445 9 3    544410 3      C-13-H3C(O)CH3
  259547.5195  0.0541 -5.6119 3 1132.1221A00  595161404624716 1    624617 1      C-13-H3C(O)CH3
  259547.9725  0.0193 -5.2557 3  761.3363792  5951614044944 5 1    4943 6 1      C-13-H3C(O)CH3
  259557.9841  0.0258 -5.3128 3  892.5269872  595161404544510 2    544411 2      C-13-H3C(O)CH3
  259565.0252  0.0067 -6.9289 3   80.5893280  5951614041713 4 0    17 8 9 0      C-13-H3C(O)CH3
  259568.5995  0.0334 -5.6139 3  892.5517436  595161404544510 4    544411 4      C-13-H3C(O)CH3
  259578.9327  0.0100 -6.8581 3   20.7169152  595161404 9 9 0 2     8 6 2 2      C-13-H3C(O)CH3
  259604.3965  0.0278 -5.5566 3  761.3540396  5951614044944 5 4    4943 6 4      C-13-H3C(O)CH3
  259606.9575  0.0084 -4.3227 3   53.0848116  5951614041411 4 3    1310 3 3      C-13-H3C(O)CH3
  259608.4530  0.7790 -7.1018 3 1981.8166D52  595161404845530 0    845431 0      C-13-H3C(O)CH3
  259612.6314  0.0088 -4.6196 3  107.1162328  5951614042012 8 0    1913 7 0      C-13-H3C(O)CH3
  259615.7850  0.0088 -7.0678 3   20.6416 76  595161404 9 9 1 4     8 6 3 4      C-13-H3C(O)CH3
  259627.6168  0.0577 -5.6117 3 1132.1506A00  595161404624715 1    624616 1      C-13-H3C(O)CH3
  259637.5186  0.2883 -6.6289 3 1561.4777596  595161404745124 4    745025 4      C-13-H3C(O)CH3
  259644.4668  0.0263 -5.3125 3  892.5296872  595161404544510 1    544411 1      C-13-H3C(O)CH3
  259644.6162  0.0136 -5.4359 3  380.6958600  595161404372314 2    372017 2      C-13-H3C(O)CH3
  259647.4511  0.1842 -6.5056 3 1523.2950604  595161404754035 4    753936 4      C-13-H3C(O)CH3
  259647.5053  0.1843 -6.5056 3 1523.2949604  595161404754035 3    753936 3      C-13-H3C(O)CH3
  259647.7260  0.0118 -5.4373 3  380.7259600  595161404372314 0    372017 0      C-13-H3C(O)CH3
  259656.9581  0.0588 -5.6117 3 1132.1580A00  595161404624715 2    624616 2      C-13-H3C(O)CH3
  259658.2444  0.0099 -7.0836 3   20.7883 76  595161404 9 9 0 4     8 6 2 4      C-13-H3C(O)CH3
  259666.6670  0.0131 -5.9969 3  183.0059260  59516140432 230 3    32 131 3      C-13-H3C(O)CH3
  259666.6670  0.0131 -5.3394 3  183.0059260  59516140432 330 3    32 131 3      C-13-H3C(O)CH3
  259666.6670  0.0131 -5.2073 3  183.0059260  59516140432 330 3    32 231 3      C-13-H3C(O)CH3
  259666.6670  0.0131 -5.0099 3  183.0059260  59516140432 230 3    32 231 3      C-13-H3C(O)CH3
  259667.0287  0.0140 -5.1862 3  183.0059260  59516140432 330 4    32 131 4      C-13-H3C(O)CH3
  259667.0287  0.0140 -5.0661 3  183.0059260  59516140432 230 4    32 231 4      C-13-H3C(O)CH3
  259667.0287  0.0140 -5.6590 3  183.0059260  59516140432 230 4    32 131 4      C-13-H3C(O)CH3
  259667.0287  0.0140 -5.3698 3  183.0059260  59516140432 330 4    32 231 4      C-13-H3C(O)CH3
  259674.5719  0.0219 -5.3125 3  892.5076872  5951614045445 9 0    544411 0      C-13-H3C(O)CH3
  259674.5719  0.0219 -5.3125 3  892.5076872  595161404544510 0    544410 0      C-13-H3C(O)CH3
  259677.2275  0.0019 -3.9458 3  107.0740188  59516140423 519 3    22 418 3      C-13-H3C(O)CH3
  259677.2275  0.0019 -3.9458 3  107.0740188  59516140423 419 3    22 518 3      C-13-H3C(O)CH3
  259677.2591  0.0019 -3.9457 3  107.0740188 -59516140423 519 4    22 418 4      C-13-H3C(O)CH3
  259677.2591  0.0019 -3.9457 3  107.0740188 -59516140423 419 4    22 518 4      C-13-H3C(O)CH3
  259678.7818  0.1773 -6.2044 3 1523.2832C08  595161404754035 1    753936 1      C-13-H3C(O)CH3
  259686.0092  0.0256 -5.3126 3  892.5326872  5951614045445 9 1    544410 1      C-13-H3C(O)CH3
  259691.9113  0.1807 -6.5054 3 1523.2952604  595161404754135 4    754036 4      C-13-H3C(O)CH3
  259691.9885  0.1806 -6.5054 3 1523.2951604  595161404754135 3    754036 3      C-13-H3C(O)CH3
  259693.6798  0.1859 -6.2044 3 1523.2870C08  595161404754035 2    753936 2      C-13-H3C(O)CH3
  259722.8496  0.1778 -6.2043 3 1523.2834C08  595161404754135 1    754036 1      C-13-H3C(O)CH3
  259723.5773  0.0161 -6.4592 3  165.5902196  5951614042418 7 3    241510 3      C-13-H3C(O)CH3
  259724.8804  0.1780 -6.2042 3 1523.2753C08  595161404754035 0    753936 0      C-13-H3C(O)CH3
  259730.0153  0.0020 -3.6447 3  107.0403376  59516140423 419 1    22 518 1      C-13-H3C(O)CH3
  259730.0153  0.0020 -3.6446 3  107.0403376  59516140423 519 1    22 418 1      C-13-H3C(O)CH3
  259730.4938  0.0020 -3.6446 3  107.0396376 -59516140423 519 2    22 418 2      C-13-H3C(O)CH3
  259730.4938  0.0020 -3.6446 3  107.0396376 -59516140423 419 2    22 518 2      C-13-H3C(O)CH3
  259734.6663  0.1823 -6.2043 3 1523.2872C08  595161404754135 2    754036 2      C-13-H3C(O)CH3
  259745.2481  0.0582 -5.6114 3 1132.1051A00  595161404624715 0    624616 0      C-13-H3C(O)CH3
  259745.2511  0.0582 -5.6114 3 1132.1051A00  595161404624716 0    624617 0      C-13-H3C(O)CH3
  259761.5351  0.0083 -4.5893 3  223.4719552  59516140434 430 0    34 431 0      C-13-H3C(O)CH3
  259761.5351  0.0083 -4.5893 3  223.4719552  59516140434 530 0    34 331 0      C-13-H3C(O)CH3
  259761.5356  0.0083 -5.0418 3  223.4719552 -59516140434 530 0    34 431 0      C-13-H3C(O)CH3
  259761.5356  0.0083 -5.0418 3  223.4719552 -59516140434 430 0    34 331 0      C-13-H3C(O)CH3
  259765.4710  0.1786 -6.2041 3 1523.2755C08  595161404754135 0    754036 0      C-13-H3C(O)CH3
  259778.4008  0.0141 -5.7373 3  380.6731300  595161404372314 4    372017 4      C-13-H3C(O)CH3
  259778.6568  0.0122 -4.6610 3  202.9274536  59516140433 430 2    33 331 2      C-13-H3C(O)CH3
  259778.6568  0.0122 -5.1369 3  202.9274536  59516140433 430 2    33 231 2      C-13-H3C(O)CH3
  259778.6568  0.0122 -5.1369 3  202.9274536  59516140433 330 2    33 331 2      C-13-H3C(O)CH3
  259778.6568  0.0122 -4.6610 3  202.9274536  59516140433 330 2    33 231 2      C-13-H3C(O)CH3
  259779.7012  0.0130 -4.7938 3  202.9279536 -59516140433 330 1    33 231 1      C-13-H3C(O)CH3
  259779.7012  0.0130 -4.7938 3  202.9279536 -59516140433 430 1    33 331 1      C-13-H3C(O)CH3
  259779.8790  0.0130 -4.8850 3  202.9279536  59516140433 430 1    33 231 1      C-13-H3C(O)CH3
  259779.8790  0.0130 -4.8850 3  202.9279536  59516140433 330 1    33 331 1      C-13-H3C(O)CH3
  259783.1413  0.0018 -3.6444 3  107.0059376 -59516140423 419 0    22 518 0      C-13-H3C(O)CH3
  259783.1413  0.0018 -3.6444 3  107.0059376 -59516140423 519 0    22 418 0      C-13-H3C(O)CH3
  259786.2942  0.0133 -5.4378 3  380.7033600  595161404372314 1    372017 1      C-13-H3C(O)CH3
  259787.7429  0.0177 -5.7373 3  380.6731300  595161404372314 3    372017 3      C-13-H3C(O)CH3
  259788.2094  0.0184 -7.0540 3  119.2962164  5951614042017 3 3    2014 6 3      C-13-H3C(O)CH3
  259799.3397  0.3315 -6.3274 3 1561.4752B92  595161404745124 1    745025 1      C-13-H3C(O)CH3
  259806.1556  0.2689 -6.6291 3 1561.5066596  595161404745124 3    745025 3      C-13-H3C(O)CH3
  259829.2034  0.0562 -7.1068 3  466.7484664  595161404412516 2    402813 2      C-13-H3C(O)CH3
  259862.1308  0.0090 -4.6294 3  107.1237328 -5951614042012 8 2    1913 7 2      C-13-H3C(O)CH3
  259884.4626  0.0159 -5.2221 3  163.6432252  59516140431 130 3    31 031 3      C-13-H3C(O)CH3
  259884.4626  0.0159 -5.2221 3  163.6432252  59516140431 230 3    31 131 3      C-13-H3C(O)CH3
  259885.1146  0.0168 -5.3020 3  163.6432252  59516140431 230 4    31 131 4      C-13-H3C(O)CH3
  259885.1146  0.0168 -5.9967 3  163.6432252  59516140431 130 4    31 131 4      C-13-H3C(O)CH3
  259885.1146  0.0168 -5.9967 3  163.6432252  59516140431 230 4    31 031 4      C-13-H3C(O)CH3
  259885.1146  0.0168 -5.3020 3  163.6432252  59516140431 130 4    31 031 4      C-13-H3C(O)CH3
  259912.7516  0.2498 -6.6288 3 1561.5117596  595161404745123 3    745024 3      C-13-H3C(O)CH3
  259918.7347  0.0124 -5.3890 3  213.9939440  5951614042721 7 0    2622 4 0      C-13-H3C(O)CH3
  259922.7599  0.0124 -5.3890 3  213.9939440  5951614042721 6 0    2622 5 0      C-13-H3C(O)CH3
  259933.4652  0.0100 -7.1093 3  119.2962172  5951614042113 8 3    2014 6 3      C-13-H3C(O)CH3
  259956.5620  0.4082 -6.8765 3 1878.4001D36  595161404834637 1    834538 1      C-13-H3C(O)CH3
  259965.2398  0.0122 -6.2143 3  165.5911392  5951614042418 7 2    241510 2      C-13-H3C(O)CH3
  259965.3562  0.3075 -6.3270 3 1561.4649B92  595161404745124 2    745025 2      C-13-H3C(O)CH3
  259978.9956  0.0037 -4.7684 3   53.0848116  5951614041411 3 3    1310 3 3      C-13-H3C(O)CH3
  259984.0445  0.0456 -5.7422 3 1008.2840468  595161404584613 4    584514 4      C-13-H3C(O)CH3
  259993.5246  0.0442 -5.7421 3 1008.2995468  595161404584613 3    584514 3      C-13-H3C(O)CH3
  260004.6363  0.4090 -6.8763 3 1878.4054D36  595161404834637 0    834538 0      C-13-H3C(O)CH3
  260006.3704  0.4682 -6.8764 3 1878.4040D36  595161404834637 2    834538 2      C-13-H3C(O)CH3
  260054.3199  0.0157 -6.6666 3  165.5902196  5951614042418 6 3    241510 3      C-13-H3C(O)CH3
  260056.6425  0.0457 -5.7420 3 1008.3090468  595161404584612 3    584513 3      C-13-H3C(O)CH3
  260066.0057  0.0473 -5.7419 3 1008.3244468  595161404584612 4    584513 4      C-13-H3C(O)CH3
  260071.4987  0.0029 -4.1959 3   53.0057116  5951614041411 4 4    1310 4 4      C-13-H3C(O)CH3
  260074.4266  0.3217 -6.3269 3 1561.5093B92  595161404745123 1    745024 1      C-13-H3C(O)CH3
  260076.7223  0.0166 -6.2064 3  182.9530520  59516140432 330 2    32 131 2      C-13-H3C(O)CH3
  260076.7223  0.0166 -4.6770 3  182.9530520  59516140432 330 2    32 231 2      C-13-H3C(O)CH3
  260076.7223  0.0166 -4.6770 3  182.9530520  59516140432 230 2    32 131 2      C-13-H3C(O)CH3
  260076.7223  0.0166 -6.2064 3  182.9530520  59516140432 230 2    32 231 2      C-13-H3C(O)CH3
  260077.4390  0.0173 -5.6496 3  182.9534520  59516140432 330 1    32 231 1      C-13-H3C(O)CH3
  260077.4390  0.0173 -4.7120 3  182.9534520  59516140432 330 1    32 131 1      C-13-H3C(O)CH3
  260077.4390  0.0173 -4.7120 3  182.9534520  59516140432 230 1    32 231 1      C-13-H3C(O)CH3
  260077.4390  0.0173 -5.6496 3  182.9534520  59516140432 230 1    32 131 1      C-13-H3C(O)CH3
  260080.9118  0.2586 -6.6280 3 1561.5406596  595161404745123 4    745024 4      C-13-H3C(O)CH3
  260083.5945  0.0360 -5.4408 3 1008.2644936  595161404584613 2    584514 2      C-13-H3C(O)CH3
  260101.6297  0.0110 -5.3874 3  213.9772440  5951614042721 6 2    2622 4 2      C-13-H3C(O)CH3
  260122.2884  0.3456 -6.3266 3 1561.4628B92  595161404745123 0    745024 0      C-13-H3C(O)CH3
  260124.1748  0.0058 -4.7038 3  594.0375792  595161404491831 0    491832 0      C-13-H3C(O)CH3
  260124.1748  0.0058 -5.3368 3  594.0375792  595161404491931 0    491832 0      C-13-H3C(O)CH3
  260124.1748  0.0058 -4.7042 3  594.0375792  595161404491931 0    491732 0      C-13-H3C(O)CH3
  260124.1748  0.0058 -5.3383 3  594.0375792  595161404491831 0    491732 0      C-13-H3C(O)CH3
  260132.5659  0.3454 -6.3266 3 1561.4624B92  595161404745124 0    745025 0      C-13-H3C(O)CH3
  260133.5505  0.3009 -6.3267 3 1561.4939B92  595161404745123 2    745024 2      C-13-H3C(O)CH3
  260133.8211  0.0115 -5.0438 3  202.8897536  59516140433 430 0    33 231 0      C-13-H3C(O)CH3
  260133.8211  0.0115 -5.0438 3  202.8897536  59516140433 330 0    33 331 0      C-13-H3C(O)CH3
  260133.8211  0.0115 -4.6951 3  202.8897536  59516140433 430 0    33 331 0      C-13-H3C(O)CH3
  260133.8211  0.0115 -4.6951 3  202.8897536  59516140433 330 0    33 231 0      C-13-H3C(O)CH3
  260153.0464  0.0024 -3.8856 3   53.0197232 -5951614041411 4 0    1310 3 0      C-13-H3C(O)CH3
  260155.7305  0.0371 -5.4407 3 1008.2893936  595161404584612 2    584513 2      C-13-H3C(O)CH3
  260165.3415  0.0159 -5.0461 3  875.6470936  595161404582632 0    582533 0      C-13-H3C(O)CH3
  260165.3432  0.0159 -5.0461 3  875.6470936  595161404582732 0    582633 0      C-13-H3C(O)CH3
  260176.2638  0.0072 -4.6130 3  594.0149792  595161404491931 2    491832 2      C-13-H3C(O)CH3
  260176.2638  0.0072 -4.6130 3  594.0149792  595161404491831 2    491732 2      C-13-H3C(O)CH3
  260177.5850  0.0065 -6.1026 3  594.0157792  595161404491931 1    491832 1      C-13-H3C(O)CH3
  260177.5850  0.0065 -4.6272 3  594.0157792  595161404491931 1    491732 1      C-13-H3C(O)CH3
  260177.5850  0.0065 -6.1093 3  594.0157792  595161404491831 1    491732 1      C-13-H3C(O)CH3
  260177.5850  0.0065 -4.6270 3  594.0157792  595161404491831 1    491832 1      C-13-H3C(O)CH3
  260186.8621  0.0354 -5.4407 3 1008.2631936  595161404584613 1    584514 1      C-13-H3C(O)CH3
  260195.2446  0.0176 -5.0459 3  875.6517936  595161404582632 1    582533 1      C-13-H3C(O)CH3
  260195.2467  0.0176 -5.0459 3  875.6517936  595161404582732 1    582633 1      C-13-H3C(O)CH3
  260196.1385  0.0339 -5.4406 3 1008.2784936  595161404584612 1    584513 1      C-13-H3C(O)CH3
  260197.8629  0.0224 -5.0459 3  875.6521936  595161404582632 2    582533 2      C-13-H3C(O)CH3
  260197.8648  0.0224 -5.0459 3  875.6521936  595161404582732 2    582633 2      C-13-H3C(O)CH3
  260210.6503  0.0090 -4.9141 3  107.1379164  5951614042012 8 3    1913 7 3      C-13-H3C(O)CH3
  260222.6613  0.0028 -7.0466 3  105.5939164  5951614042011 9 4    1912 7 4      C-13-H3C(O)CH3
  260227.8294  0.0228 -5.3468 3  875.6567468  595161404582632 3    582533 3      C-13-H3C(O)CH3
  260227.8317  0.0228 -5.3468 3  875.6567468  595161404582732 3    582633 3      C-13-H3C(O)CH3
  260227.9382  0.0229 -5.3468 3  875.6567468  595161404582632 4    582533 4      C-13-H3C(O)CH3
  260227.9405  0.0229 -5.3468 3  875.6567468  595161404582732 4    582633 4      C-13-H3C(O)CH3
  260229.7553  0.0074 -4.9162 3  593.9930396  595161404491831 3    491732 3      C-13-H3C(O)CH3
  260229.7553  0.0074 -4.9139 3  593.9930396  595161404491931 3    491832 3      C-13-H3C(O)CH3
  260229.8134  0.0074 -4.9201 3  593.9930396  595161404491931 4    491832 4      C-13-H3C(O)CH3
  260229.8134  0.0074 -6.7441 3  593.9930396  595161404491931 4    491732 4      C-13-H3C(O)CH3
  260229.8134  0.0074 -6.7495 3  593.9930396  595161404491831 4    491832 4      C-13-H3C(O)CH3
  260229.8134  0.0074 -4.9201 3  593.9930396  595161404491831 4    491732 4      C-13-H3C(O)CH3
  260233.3074  0.0022 -4.1932 3   53.1399116  5951614041411 3 4    1310 3 4      C-13-H3C(O)CH3
  260237.2858  0.0117 -5.3883 3  213.9272440  5951614042721 7 1    2622 5 1      C-13-H3C(O)CH3
  260257.4941  0.0094 -4.6321 3  107.1208328  5951614042012 8 1    1913 7 1      C-13-H3C(O)CH3
  260261.0229  0.0193 -5.7210 3  159.5442196  5951614042416 9 4    2317 6 4      C-13-H3C(O)CH3
  260265.4053  0.0060 -7.1163 3   61.8324132  59516140416 7 9 3    16 412 3      C-13-H3C(O)CH3
  260267.6472  0.0081 -7.1163 3   61.8324132  59516140416 7 9 4    16 412 4      C-13-H3C(O)CH3
  260281.2326  0.0117 -5.3873 3  213.9616440  5951614042721 6 1    2622 4 1      C-13-H3C(O)CH3
  260284.4187  0.0130 -5.9837 3  239.0496244  595161404301615 4    291712 4      C-13-H3C(O)CH3
  260285.5262  0.0312 -5.4404 3 1008.2434936  595161404584612 0    584513 0      C-13-H3C(O)CH3
  260285.5262  0.0312 -5.4404 3 1008.2434936  595161404584613 0    584514 0      C-13-H3C(O)CH3
  260292.3311  0.0119 -5.9838 3  239.0493244  595161404301615 3    291712 3      C-13-H3C(O)CH3
  260293.0062  0.0047 -6.4169 3  142.6580376  595161404231410 2    2215 8 2      C-13-H3C(O)CH3
  260319.9962  0.0100 -5.6830 3  239.0687488  595161404301615 1    291712 1      C-13-H3C(O)CH3
  260320.1845  0.0962 -6.0683 3 1232.5326524  595161404654818 4    654719 4      C-13-H3C(O)CH3
  260320.8275  0.0118 -5.3873 3  213.9406440  5951614042721 7 2    2622 5 2      C-13-H3C(O)CH3
  260323.6229  0.0334 -6.8306 3  466.7671664  595161404412516 0    402813 0      C-13-H3C(O)CH3
  260324.3471  0.0037 -4.7674 3   53.0609116  5951614041411 4 3    1310 4 3      C-13-H3C(O)CH3
  260350.5901  0.0027 -3.9071 3   53.0027232  5951614041411 4 1    1310 4 1      C-13-H3C(O)CH3
  260353.1974  0.0220 -4.9209 3  163.5740504  59516140431 130 2    31 131 2      C-13-H3C(O)CH3
  260353.1974  0.0220 -4.9209 3  163.5740504  59516140431 230 2    31 031 2      C-13-H3C(O)CH3
  260353.3674  0.0228 -4.9197 3  163.5744504  59516140431 130 1    31 131 1      C-13-H3C(O)CH3
  260353.3674  0.0228 -4.9197 3  163.5744504  59516140431 230 1    31 031 1      C-13-H3C(O)CH3
  260355.2313  0.0076 -6.1721 3  308.0969276  595161404341717 3    332014 3      C-13-H3C(O)CH3
  260357.3932  0.0076 -6.1721 3  308.0968276  595161404341717 4    332014 4      C-13-H3C(O)CH3
  260359.7081  0.5148 -6.9978 3 1765.1553636  595161404795327 4    795228 4      C-13-H3C(O)CH3
  260371.8274  0.0024 -3.9059 3   53.0762232  5951614041411 3 1    1310 3 1      C-13-H3C(O)CH3
  260395.5411  0.1031 -6.1223 3 1317.0537564  595161404703634 4    703535 4      C-13-H3C(O)CH3
  260395.5700  0.1030 -6.1223 3 1317.0537564  595161404703634 3    703535 3      C-13-H3C(O)CH3
  260397.4854  0.0026 -3.9113 3   53.0094232  5951614041411 4 2    1310 4 2      C-13-H3C(O)CH3
  260399.9184  0.1028 -6.1223 3 1317.0537564  595161404703734 4    703635 4      C-13-H3C(O)CH3
  260399.9548  0.1027 -6.1223 3 1317.0537564  595161404703734 3    703635 3      C-13-H3C(O)CH3
  260404.8854  0.0027 -3.9100 3   53.0751232  5951614041411 3 2    1310 3 2      C-13-H3C(O)CH3
  260415.9282  0.0123 -5.6878 3  213.9104220  5951614042721 7 3    2622 4 3      C-13-H3C(O)CH3
  260423.5010  0.0988 -5.8212 3 1317.0363B28  595161404703634 1    703535 1      C-13-H3C(O)CH3
  260427.7359  0.0990 -5.8212 3 1317.0363B28  595161404703734 1    703635 1      C-13-H3C(O)CH3
  260431.9277  0.1033 -5.8212 3 1317.0393B28  595161404703634 2    703535 2      C-13-H3C(O)CH3
  260434.1253  0.0078 -5.8708 3  308.1214552  595161404341717 1    332014 1      C-13-H3C(O)CH3
  260435.8429  0.1030 -5.8211 3 1317.0393B28  595161404703734 2    703635 2      C-13-H3C(O)CH3
  260441.8885  0.0080 -5.8685 3  308.1163552  595161404341717 2    332014 2      C-13-H3C(O)CH3
  260444.0942  0.0356 -7.0746 3  466.7425664  595161404412516 1    402813 1      C-13-H3C(O)CH3
  260448.0353  0.0956 -6.0681 3 1232.5676524  595161404654818 3    654718 3      C-13-H3C(O)CH3
  260449.7957  0.2877 -6.8295 3 1696.4592636  595161404794336 4    794237 4      C-13-H3C(O)CH3
  260449.8482  0.2878 -6.8295 3 1696.4592636  595161404794336 3    794237 3      C-13-H3C(O)CH3
  260458.2580  0.5866 -6.6977 3 1765.1666C72  595161404795327 1    795228 1      C-13-H3C(O)CH3
  260459.8230  0.0989 -5.8210 3 1317.0219B28  595161404703634 0    703535 0      C-13-H3C(O)CH3
  260462.3298  0.0150 -5.6868 3  213.9448220  5951614042721 6 4    2622 4 4      C-13-H3C(O)CH3
  260463.6021  0.0991 -5.8210 3 1317.0220B28  595161404703734 0    703635 0      C-13-H3C(O)CH3
  260470.9581  0.2681 -6.5284 3 1696.4539C72  595161404794336 1    794237 1      C-13-H3C(O)CH3
  260471.0805  0.0242 -6.6572 3  180.9682204  5951614042519 7 4    2516 9 4      C-13-H3C(O)CH3
  260481.7882  0.0034 -6.9731 3   57.5106124  59516140415 9 6 4    14 8 6 4      C-13-H3C(O)CH3
  260486.5265  0.0159 -4.6666 3  182.9006520  59516140432 330 0    32 131 0      C-13-H3C(O)CH3
  260486.5265  0.0159 -6.7067 3  182.9006520  59516140432 330 0    32 231 0      C-13-H3C(O)CH3
  260486.5265  0.0159 -6.7067 3  182.9006520  59516140432 230 0    32 131 0      C-13-H3C(O)CH3
  260486.5265  0.0159 -4.6666 3  182.9006520  59516140432 230 0    32 231 0      C-13-H3C(O)CH3
  260490.7611  0.0224 -5.2811 3  738.2648776  5951614044844 5 2    4843 6 2      C-13-H3C(O)CH3
  260496.5222  0.2899 -6.5283 3 1696.4580C72  595161404794336 2    794237 2      C-13-H3C(O)CH3
  260504.4679  0.0088 -6.6300 3  190.2996424  5951614042618 8 1    261512 1      C-13-H3C(O)CH3
  260506.0312  0.0845 -6.0680 3 1232.5659524  595161404654817 3    654719 3      C-13-H3C(O)CH3
  260517.4777  0.0051 -6.1927 3  142.6542376  595161404231410 1    2215 8 1      C-13-H3C(O)CH3
  260517.5932  0.2688 -6.5282 3 1696.4527C72  595161404794336 0    794237 0      C-13-H3C(O)CH3
  260521.0595  0.0075 -5.8683 3  308.1407552  595161404341717 0    332014 0      C-13-H3C(O)CH3
  260524.1405  0.0079 -7.1157 3   61.8324132  59516140416 8 9 4    16 512 4      C-13-H3C(O)CH3
  260524.3348  0.0060 -7.1157 3   61.8324132  59516140416 8 9 3    16 512 3      C-13-H3C(O)CH3
  260554.7236  0.3909 -6.8746 3 1878.4038D36  595161404834737 1    834638 1      C-13-H3C(O)CH3
  260558.2557  0.0065 -6.8104 3   61.7866264  59516140416 7 9 2    16 412 2      C-13-H3C(O)CH3
  260567.0982  0.0845 -5.7667 3 1232.5135A48  595161404654818 1    654719 1      C-13-H3C(O)CH3
  260568.7943  0.3986 -6.8746 3 1878.4074D36  595161404834737 2    834638 2      C-13-H3C(O)CH3
  260572.5437  0.0912 -5.7667 3 1232.5178A48  595161404654818 2    654719 2      C-13-H3C(O)CH3
  260575.2034  0.3911 -6.8745 3 1878.4089D36  595161404834737 0    834638 0      C-13-H3C(O)CH3
  260581.6056  0.1969 -6.4266 3 1447.1838572  595161404715022 4    714923 4      C-13-H3C(O)CH3
  260587.5873  0.0199 -5.2811 3  738.2690776  5951614044844 5 0    4843 6 0      C-13-H3C(O)CH3
  260587.5873  0.0199 -5.2811 3  738.2690776  5951614044844 4 0    4843 5 0      C-13-H3C(O)CH3
  260598.1801  0.0064 -6.8116 3   61.7874264  59516140416 7 9 1    16 412 1      C-13-H3C(O)CH3
  260607.2875  0.0306 -5.5818 3  738.2663388  5951614044844 5 4    4843 6 4      C-13-H3C(O)CH3
  260618.1549  0.0082 -6.9054 3  190.2946424  5951614042618 8 2    261512 2      C-13-H3C(O)CH3
  260618.4089  0.2718 -6.8290 3 1696.4602636  595161404794436 4    794337 4      C-13-H3C(O)CH3
  260618.4847  0.2716 -6.8290 3 1696.4601636  595161404794436 3    794337 3      C-13-H3C(O)CH3
  260632.0567  0.0130 -5.6876 3  213.8739220  5951614042721 7 4    2622 5 4      C-13-H3C(O)CH3
  260633.3031  0.0881 -6.0677 3 1232.6010524  595161404654817 4    654718 4      C-13-H3C(O)CH3
  260640.4220  0.2671 -6.5278 3 1696.4549C72  595161404794436 1    794337 1      C-13-H3C(O)CH3
  260649.2675  0.0097 -5.6774 3  239.0530488  595161404301615 2    291712 2      C-13-H3C(O)CH3
  260654.7755  0.2735 -6.5278 3 1696.4588C72  595161404794436 2    794337 2      C-13-H3C(O)CH3
  260671.4137  0.5186 -6.6971 3 1765.1440C72  595161404795327 2    795228 2      C-13-H3C(O)CH3
  260676.1157  0.0086 -5.6777 3  239.0723488  595161404301615 0    291712 0      C-13-H3C(O)CH3
  260676.6029  0.2679 -6.5277 3 1696.4536C72  595161404794436 0    794337 0      C-13-H3C(O)CH3
  260678.9835  0.0118 -5.6867 3  213.9082220  5951614042721 6 3    2622 5 3      C-13-H3C(O)CH3
  260680.1168  0.0289 -5.5819 3  738.3037388  5951614044844 4 3    4843 5 3      C-13-H3C(O)CH3
  260689.8629  0.0121 -6.7064 3  190.2898212  5951614042618 8 4    261512 4      C-13-H3C(O)CH3
  260694.6044  0.0957 -5.7664 3 1232.5485A48  595161404654817 1    654718 1      C-13-H3C(O)CH3
  260696.3852  0.0084 -4.3202 3   53.0609116  5951614041411 3 3    1310 4 3      C-13-H3C(O)CH3
  260698.4254  0.0221 -5.2809 3  738.2875776  5951614044844 4 2    4843 5 2      C-13-H3C(O)CH3
  260704.8119  0.0226 -5.2807 3  738.2705776  5951614044844 5 1    4843 6 1      C-13-H3C(O)CH3
  260720.8809  0.0040 -5.3337 3  154.2349196  595161404241411 4    2315 8 4      C-13-H3C(O)CH3
  260723.2428  0.5545 -6.6956 3 1765.1572C72  595161404795326 0    795227 0      C-13-H3C(O)CH3
  260745.5511  0.0021 -5.7906 3  110.2197196  59516140424 421 3    23 420 3      C-13-H3C(O)CH3
  260745.5511  0.0021 -3.9013 3  110.2197196  59516140424 321 3    23 420 3      C-13-H3C(O)CH3
  260745.5870  0.0020 -3.9075 3  110.2197196  59516140424 421 4    23 420 4      C-13-H3C(O)CH3
  260745.5870  0.0020 -5.5567 3  110.2197196  59516140424 321 4    23 420 4      C-13-H3C(O)CH3
  260745.6176  0.0020 -5.5567 3  110.2197196 -59516140424 421 4    23 320 4      C-13-H3C(O)CH3
  260745.6176  0.0021 -3.9041 3  110.2197196 -59516140424 421 3    23 320 3      C-13-H3C(O)CH3
  260745.6176  0.0020 -3.9075 3  110.2197196 -59516140424 321 4    23 320 4      C-13-H3C(O)CH3
  260745.6176  0.0021 -5.9537 3  110.2197196 -59516140424 321 3    23 320 3      C-13-H3C(O)CH3
  260754.0441  0.5335 -6.6970 3 1765.1694C72  595161404795326 2    795227 2      C-13-H3C(O)CH3
  260757.0075  0.0115 -5.9519 3  324.4196568  595161404351818 1    341915 1      C-13-H3C(O)CH3
  260757.9176  0.0893 -5.7663 3 1232.5512A48  595161404654817 2    654718 2      C-13-H3C(O)CH3
  260761.6237  0.4981 -6.9970 3 1765.2055636  595161404795326 4    795227 4      C-13-H3C(O)CH3
  260765.1846  0.0139 -4.9603 3  107.1203164  5951614042012 8 4    1913 7 4      C-13-H3C(O)CH3
  260768.1311  0.5217 -6.6971 3 1765.1918C72  595161404795326 1    795227 1      C-13-H3C(O)CH3
  260772.9774  0.1365 -6.2396 3 1337.5410548  595161404684920 4    684821 4      C-13-H3C(O)CH3
  260774.5467  0.1687 -6.4262 3 1447.2154572  595161404715022 3    714923 3      C-13-H3C(O)CH3
  260777.8143  0.0212 -5.2808 3  738.3080776  5951614044844 4 1    4843 5 1      C-13-H3C(O)CH3
  260782.9762  0.0166 -6.8526 3  119.1949164  5951614042017 4 4    2014 7 4      C-13-H3C(O)CH3
  260783.6501  0.2169 -6.1250 3 1447.1745B44  595161404715022 1    714923 1      C-13-H3C(O)CH3
  260785.6147  0.0026 -4.3564 3   82.7018148 -5951614041810 9 4    17 9 8 4      C-13-H3C(O)CH3
  260788.9793  0.0021 -3.6023 3  110.1801392  59516140424 321 1    23 420 1      C-13-H3C(O)CH3
  260788.9793  0.0021 -5.4854 3  110.1801392  59516140424 421 1    23 420 1      C-13-H3C(O)CH3
  260789.1716  0.0021 -4.4139 3  110.1795392 -59516140424 421 2    23 320 2      C-13-H3C(O)CH3
  260789.1716  0.0021 -5.4854 3  110.1801392 -59516140424 321 1    23 320 1      C-13-H3C(O)CH3
  260789.1716  0.0021 -3.6023 3  110.1801392 -59516140424 421 1    23 320 1      C-13-H3C(O)CH3
  260789.1716  0.0021 -4.5980 3  110.1795392 -59516140424 321 2    23 420 2      C-13-H3C(O)CH3
  260789.2533  0.0021 -3.6423 3  110.1795392  59516140424 321 2    23 320 2      C-13-H3C(O)CH3
  260789.2533  0.0021 -3.6685 3  110.1795392  59516140424 421 2    23 420 2      C-13-H3C(O)CH3
  260808.6079  0.5521 -6.6953 3 1765.1539C72  595161404795327 0    795228 0      C-13-H3C(O)CH3
  260809.1909  0.1802 -6.4261 3 1447.2216572  595161404715021 3    714922 3      C-13-H3C(O)CH3
  260813.1534  0.0034 -4.3563 3   82.7010148 -5951614041810 9 3    17 9 8 3      C-13-H3C(O)CH3
  260815.0137  0.0297 -5.5815 3  738.2890388  5951614044844 5 3    4843 6 3      C-13-H3C(O)CH3
  260816.7622  0.0124 -6.2519 3  324.3899284  595161404351818 4    341915 4      C-13-H3C(O)CH3
  260819.0288  0.0974 -5.7661 3 1232.4988A48  595161404654817 0    654718 0      C-13-H3C(O)CH3
  260819.0579  0.0974 -5.7661 3 1232.4988A48  595161404654818 0    654719 0      C-13-H3C(O)CH3
  260820.9323  0.0213 -4.9252 3  163.5053504  59516140431 230 0    31 131 0      C-13-H3C(O)CH3
  260820.9323  0.0213 -6.6424 3  163.5053504  59516140431 130 0    31 131 0      C-13-H3C(O)CH3
  260820.9323  0.0213 -4.9252 3  163.5053504  59516140431 130 0    31 031 0      C-13-H3C(O)CH3
  260820.9323  0.0213 -6.6424 3  163.5053504  59516140431 230 0    31 031 0      C-13-H3C(O)CH3
  260823.8775  0.0136 -6.2519 3  324.3897284  595161404351818 3    341915 3      C-13-H3C(O)CH3
  260826.0753  0.0064 -6.8098 3   61.7866264  59516140416 8 9 2    16 512 2      C-13-H3C(O)CH3
  260829.7677  0.0066 -5.3278 3  154.2314196  595161404241411 3    2315 8 3      C-13-H3C(O)CH3
  260832.5681  0.0019 -3.6398 3  110.1400392  59516140424 421 0    23 320 0      C-13-H3C(O)CH3
  260832.5681  0.0019 -4.6198 3  110.1400392  59516140424 321 0    23 320 0      C-13-H3C(O)CH3
  260832.6032  0.0019 -4.8807 3  110.1400392 -59516140424 421 0    23 420 0      C-13-H3C(O)CH3
  260832.6032  0.0019 -3.6197 3  110.1400392 -59516140424 321 0    23 420 0      C-13-H3C(O)CH3
  260845.2232  0.0199 -6.8627 3  119.3254164  5951614042017 3 4    2014 6 4      C-13-H3C(O)CH3
  260848.7284  0.0088 -6.1092 3  142.6427188  595161404231410 4    2215 8 4      C-13-H3C(O)CH3
  260857.9821  0.0099 -6.8404 3   20.5946152  595161404 9 9 1 1     8 6 3 1      C-13-H3C(O)CH3
  260859.7060  0.0063 -6.8109 3   61.7875264  59516140416 8 9 1    16 512 1      C-13-H3C(O)CH3
  260874.3535  0.0089 -5.9484 3  165.5954392  5951614042418 7 0    241510 0      C-13-H3C(O)CH3
  260885.1659  0.0045 -5.0270 3  154.2325392  595161404241411 1    2315 8 1      C-13-H3C(O)CH3
  260889.2560  0.0312 -5.5816 3  738.3264388  5951614044844 4 4    4843 5 4      C-13-H3C(O)CH3
  260889.4857  0.0062 -6.8065 3   61.7418264  59516140416 7 9 0    16 412 0      C-13-H3C(O)CH3
  260901.4791  0.2104 -6.1247 3 1447.1712B44  595161404715022 2    714923 2      C-13-H3C(O)CH3
  260911.6371  0.0091 -5.9493 3  324.4380568  595161404351818 0    341915 0      C-13-H3C(O)CH3
  260936.9083  0.0046 -5.0219 3  154.2263392  595161404241411 2    2315 8 2      C-13-H3C(O)CH3
  260948.4541  0.0124 -5.3127 3  159.5326392  5951614042416 9 1    2317 6 1      C-13-H3C(O)CH3
  260950.4933  0.1322 -6.2393 3 1337.5791548  595161404684919 3    684820 3      C-13-H3C(O)CH3
  260956.8415  0.0053 -6.4334 3  564.6510776  595161404481731 0    481732 0      C-13-H3C(O)CH3
  260956.8415  0.0053 -4.5786 3  564.6510776  595161404481731 0    481632 0      C-13-H3C(O)CH3
  260956.8415  0.0053 -6.6691 3  564.6510776  595161404481831 0    481632 0      C-13-H3C(O)CH3
  260956.8415  0.0053 -4.5761 3  564.6510776  595161404481831 0    481732 0      C-13-H3C(O)CH3
  260960.0718  0.0122 -5.2660 3  159.5341392  5951614042416 9 2    2317 6 2      C-13-H3C(O)CH3
  260961.0290  0.0029 -4.0553 3   82.6732296 -5951614041810 9 1    17 9 8 1      C-13-H3C(O)CH3
  260971.6647  0.1149 -6.2392 3 1337.5743548  595161404684920 3    684821 3      C-13-H3C(O)CH3
  260978.2525  0.0113 -5.9482 3  324.4081568  595161404351818 2    341915 2      C-13-H3C(O)CH3
  261001.5996  0.1742 -6.4258 3 1447.2534572  595161404715021 4    714922 4      C-13-H3C(O)CH3
  261003.9408  0.0066 -4.6097 3  564.6258776  595161404481831 2    481732 2      C-13-H3C(O)CH3
  261003.9408  0.0066 -5.6624 3  564.6258776  595161404481731 2    481732 2      C-13-H3C(O)CH3
  261003.9408  0.0066 -4.6091 3  564.6258776  595161404481731 2    481632 2      C-13-H3C(O)CH3
  261003.9408  0.0066 -5.6557 3  564.6258776  595161404481831 2    481632 2      C-13-H3C(O)CH3
  261004.9246  0.1365 -5.9380 3 1337.5261A96  595161404684920 1    684821 1      C-13-H3C(O)CH3
  261005.6150  0.0062 -4.6026 3  564.6267776  595161404481731 1    481732 1      C-13-H3C(O)CH3
  261005.6150  0.0062 -4.6033 3  564.6267776  595161404481831 1    481632 1      C-13-H3C(O)CH3
  261005.6150  0.0062 -5.7345 3  564.6267776  595161404481831 1    481732 1      C-13-H3C(O)CH3
  261005.6150  0.0062 -5.7444 3  564.6267776  595161404481731 1    481632 1      C-13-H3C(O)CH3
  261010.1160  0.0037 -5.4824 3   24.2258 92  59516140411 4 7 3    10 3 8 3      C-13-H3C(O)CH3
  261010.9176  0.2278 -6.1246 3 1447.2124B44  595161404715021 1    714922 1      C-13-H3C(O)CH3
  261011.4697  0.0048 -5.4824 3   24.2258 92  59516140411 4 7 4    10 3 8 4      C-13-H3C(O)CH3
  261014.2629  0.0128 -6.2906 3  165.5940392  5951614042418 6 1    241510 1      C-13-H3C(O)CH3
  261031.3927  0.0169 -5.5052 3  132.0491180  5951614042214 8 4    2115 6 4      C-13-H3C(O)CH3
  261045.3276  0.0032 -4.0557 3   82.6675296 -5951614041810 9 2    17 9 8 2      C-13-H3C(O)CH3
  261045.4566  0.0028 -5.0193 3  154.2257392  595161404241411 0    2315 8 0      C-13-H3C(O)CH3
  261052.7896  0.0068 -4.9863 3  564.6014388  595161404481831 3    481632 3      C-13-H3C(O)CH3
  261052.7896  0.0068 -4.9907 3  564.6014388  595161404481731 3    481732 3      C-13-H3C(O)CH3
  261052.7896  0.0068 -5.4979 3  564.6014388  595161404481731 3    481632 3      C-13-H3C(O)CH3
  261052.7896  0.0068 -5.5124 3  564.6014388  595161404481831 3    481732 3      C-13-H3C(O)CH3
  261052.8191  0.0069 -5.4722 3  564.6014388  595161404481731 4    481732 4      C-13-H3C(O)CH3
  261052.8191  0.0069 -4.9990 3  564.6014388  595161404481731 4    481632 4      C-13-H3C(O)CH3
  261052.8191  0.0069 -5.4666 3  564.6014388  595161404481831 4    481632 4      C-13-H3C(O)CH3
  261052.8191  0.0069 -5.0009 3  564.6014388  595161404481831 4    481732 4      C-13-H3C(O)CH3
  261059.5597  0.0149 -6.6051 3  119.3007328  5951614042017 3 1    2014 6 1      C-13-H3C(O)CH3
  261060.7736  0.0107 -6.8533 3   20.5962152  595161404 9 9 1 2     8 6 3 2      C-13-H3C(O)CH3
  261065.7113  0.0023 -3.8835 3   52.9981232  5951614041411 3 0    1310 4 0      C-13-H3C(O)CH3
  261066.7893  0.1396 -5.9378 3 1337.5277A96  595161404684920 2    684821 2      C-13-H3C(O)CH3
  261094.1467  0.2045 -6.1244 3 1447.2029B44  595161404715021 2    714922 2      C-13-H3C(O)CH3
  261102.7399  0.2406 -6.1242 3 1447.1621B44  595161404715021 0    714922 0      C-13-H3C(O)CH3
  261104.4042  0.2406 -6.1242 3 1447.1620B44  595161404715022 0    714923 0      C-13-H3C(O)CH3
  261132.5904  0.0330 -5.5997 3  867.0186428  5951614045345 9 4    534410 4      C-13-H3C(O)CH3
  261132.6270  0.0047 -5.4822 3   24.2258 92  59516140411 5 7 4    10 2 8 4      C-13-H3C(O)CH3
  261132.8548  0.0037 -5.4822 3   24.2258 92  59516140411 5 7 3    10 2 8 3      C-13-H3C(O)CH3
  261137.7726  0.0243 -5.2987 3  867.0003856  5951614045345 8 2    5344 9 2      C-13-H3C(O)CH3
  261148.6016  0.1224 -6.2389 3 1337.6126548  595161404684919 4    684820 4      C-13-H3C(O)CH3
  261161.0727  0.0061 -6.8059 3   61.7418264  59516140416 8 9 0    16 512 0      C-13-H3C(O)CH3
  261182.1118  0.1524 -5.9376 3 1337.5643A96  595161404684919 1    684820 1      C-13-H3C(O)CH3
  261185.6596  0.0299 -5.5997 3  867.0272428  5951614045345 8 3    5344 9 3      C-13-H3C(O)CH3
  261201.4719  0.0317 -5.5996 3  867.0112428  5951614045345 9 3    534410 3      C-13-H3C(O)CH3
  261205.6756  0.0025 -4.0557 3   82.6395296 -5951614041810 9 0    17 9 8 0      C-13-H3C(O)CH3
  261207.0973  0.0246 -5.2986 3  866.9930856  5951614045345 9 2    534410 2      C-13-H3C(O)CH3
  261207.5429  0.0131 -6.2900 3  165.5911392  5951614042418 6 2    241510 2      C-13-H3C(O)CH3
  261249.6667  0.0047 -5.1799 3   24.1613184  59516140411 4 7 2    10 3 8 2      C-13-H3C(O)CH3
  261255.2074  0.0316 -5.5996 3  867.0197428  5951614045345 8 4    5344 9 4      C-13-H3C(O)CH3
  261263.4015  0.0045 -5.1801 3   24.1619184  59516140411 4 7 1    10 3 8 1      C-13-H3C(O)CH3
  261265.1064  0.1363 -5.9375 3 1337.5612A96  595161404684919 2    684820 2      C-13-H3C(O)CH3
  261278.8691  0.0250 -5.2984 3  866.9933856  5951614045345 9 1    534410 1      C-13-H3C(O)CH3
  261283.4465  0.0211 -5.2984 3  866.9750856  5951614045345 8 0    534410 0      C-13-H3C(O)CH3
  261283.4465  0.0211 -5.2984 3  866.9750856  5951614045345 9 0    5344 9 0      C-13-H3C(O)CH3
  261298.4360  0.1575 -5.9372 3 1337.5130A96  595161404684919 0    684820 0      C-13-H3C(O)CH3
  261298.6723  0.1575 -5.9372 3 1337.5130A96  595161404684920 0    684821 0      C-13-H3C(O)CH3
  261300.7333  0.0121 -5.4296 3  132.0248360  5951614042214 8 2    2115 6 2      C-13-H3C(O)CH3
  261318.5475  0.0139 -6.5237 3  119.2844328  5951614042017 3 0    2014 6 0      C-13-H3C(O)CH3
  261327.9288  0.0183 -6.5978 3  165.5891196  5951614042418 6 4    241510 4      C-13-H3C(O)CH3
  261332.2027  0.0237 -5.2984 3  867.0019856  5951614045345 8 1    5344 9 1      C-13-H3C(O)CH3
  261376.3132  0.0046 -5.1797 3   24.1613184  59516140411 5 7 2    10 2 8 2      C-13-H3C(O)CH3
  261376.5267  0.0092 -4.7334 3  119.2163344 -5951614042113 8 0    2014 7 0      C-13-H3C(O)CH3
  261382.6495  0.0497 -5.7053 3 1086.2017516  595161404643133 3    643034 3      C-13-H3C(O)CH3
  261382.6895  0.0498 -5.7053 3 1086.2018516  595161404643133 4    643034 4      C-13-H3C(O)CH3
  261382.7768  0.0497 -5.7053 3 1086.2017516  595161404643233 3    643134 3      C-13-H3C(O)CH3
  261382.8162  0.0498 -5.7053 3 1086.2018516  595161404643233 4    643134 4      C-13-H3C(O)CH3
  261385.4221  0.0435 -5.4042 3 1086.1852A32  595161404643133 1    643034 1      C-13-H3C(O)CH3
  261385.5397  0.0435 -5.4042 3 1086.1852A32  595161404643233 1    643134 1      C-13-H3C(O)CH3
  261387.5594  0.0045 -5.1799 3   24.1619184  59516140411 5 7 1    10 2 8 1      C-13-H3C(O)CH3
  261390.5568  0.0487 -5.4042 3 1086.1869A32  595161404643133 2    643034 2      C-13-H3C(O)CH3
  261390.6652  0.0487 -5.4042 3 1086.1869A32  595161404643233 2    643134 2      C-13-H3C(O)CH3
  261393.3520  0.0424 -5.4042 3 1086.1704A32  595161404643133 0    643034 0      C-13-H3C(O)CH3
  261393.4521  0.0424 -5.4042 3 1086.1704A32  595161404643233 0    643134 0      C-13-H3C(O)CH3
  261427.8455  0.0141 -6.6289 3  119.2983328  5951614042017 3 2    2014 6 2      C-13-H3C(O)CH3
  261455.5559  0.0163 -6.3396 3  180.9736408  5951614042519 7 1    2516 9 1      C-13-H3C(O)CH3
  261460.0114  0.0061 -4.9487 3  159.5251392  5951614042416 9 0    2317 6 0      C-13-H3C(O)CH3
  261496.6347  0.0133 -4.9864 3  841.0736920  595161404572532 0    572433 0      C-13-H3C(O)CH3
  261496.6352  0.0133 -4.9864 3  841.0736920  595161404572632 0    572533 0      C-13-H3C(O)CH3
  261501.8925  0.0048 -5.1787 3   24.0976184  59516140411 4 7 0    10 3 8 0      C-13-H3C(O)CH3
  261502.7119  0.0122 -5.3475 3  132.0266360  5951614042214 8 1    2115 6 1      C-13-H3C(O)CH3
  261533.5708  0.0150 -4.9861 3  841.0755920  595161404572532 1    572433 1      C-13-H3C(O)CH3
  261533.5714  0.0150 -4.9861 3  841.0755920  595161404572632 1    572533 1      C-13-H3C(O)CH3
  261535.7592  0.0194 -4.9861 3  841.0757920  595161404572532 2    572433 2      C-13-H3C(O)CH3
  261535.7598  0.0194 -4.9861 3  841.0757920  595161404572632 2    572533 2      C-13-H3C(O)CH3
  261572.7653  0.0196 -5.2870 3  841.0775460  595161404572532 3    572433 3      C-13-H3C(O)CH3
  261572.7661  0.0196 -5.2870 3  841.0775460  595161404572632 3    572533 3      C-13-H3C(O)CH3
  261572.8828  0.0197 -5.2870 3  841.0775460  595161404572532 4    572433 4      C-13-H3C(O)CH3
  261572.8835  0.0197 -5.2870 3  841.0775460  595161404572632 4    572533 4      C-13-H3C(O)CH3
  261622.6511  0.0258 -5.3251 3  715.7291760  5951614044744 4 2    4743 5 2      C-13-H3C(O)CH3
  261630.7469  0.0048 -5.1784 3   24.0976184  59516140411 5 7 0    10 2 8 0      C-13-H3C(O)CH3
  261635.5472  0.0223 -6.6597 3  180.9672204  5951614042519 7 3    2516 9 3      C-13-H3C(O)CH3
  261666.0872  0.0168 -6.8829 3  574.6372380  595161404472126 4    462423 4      C-13-H3C(O)CH3
  261666.1637  0.0168 -6.8829 3  574.6372380  595161404472126 3    462423 3      C-13-H3C(O)CH3
  261667.9724  0.0141 -6.5831 3  574.6563760  595161404472126 1    462423 1      C-13-H3C(O)CH3
  261671.8007  0.0103 -6.7565 3   25.2832 84  59516140410 9 2 4     9 6 3 4      C-13-H3C(O)CH3
  261692.0651  0.0169 -6.8828 3  574.6363380  595161404472226 4    462323 4      C-13-H3C(O)CH3
  261692.2222  0.0169 -6.8828 3  574.6364380  595161404472226 3    462323 3      C-13-H3C(O)CH3
  261692.3434  0.0141 -6.5830 3  574.6555760  595161404472226 1    462323 1      C-13-H3C(O)CH3
  261692.6066  0.0218 -5.3252 3  715.7404760  5951614044744 4 0    4743 5 0      C-13-H3C(O)CH3
  261692.6066  0.0218 -5.3252 3  715.7404760  5951614044744 3 0    4743 4 0      C-13-H3C(O)CH3
  261697.3746  0.0161 -6.5814 3  574.6538760  595161404472126 2    462423 2      C-13-H3C(O)CH3
  261699.0331  0.0117 -6.5827 3  574.6728760  595161404472126 0    462423 0      C-13-H3C(O)CH3
  261722.2883  0.0162 -6.5813 3  574.6530760  595161404472226 2    462323 2      C-13-H3C(O)CH3
  261722.3420  0.0117 -6.5826 3  574.6720760  595161404472226 0    462323 0      C-13-H3C(O)CH3
  261739.4084  0.0049 -6.5925 3  535.8433760  595161404471631 0    471532 0      C-13-H3C(O)CH3
  261739.4084  0.0049 -4.5385 3  535.8433760  595161404471631 0    471632 0      C-13-H3C(O)CH3
  261739.4084  0.0049 -4.5359 3  535.8433760  595161404471731 0    471532 0      C-13-H3C(O)CH3
  261739.4084  0.0049 -7.0678 3  535.8433760  595161404471731 0    471632 0      C-13-H3C(O)CH3
  261772.9675  0.0106 -4.7758 3  119.2140344 -5951614042113 8 2    2014 7 2      C-13-H3C(O)CH3
  261776.0280  0.0352 -5.6257 3  715.7283380  5951614044744 4 4    4743 5 4      C-13-H3C(O)CH3
  261779.0723  0.0060 -5.1948 3  535.8160760  595161404471731 2    471532 2      C-13-H3C(O)CH3
  261779.0723  0.0060 -4.6416 3  535.8160760  595161404471631 2    471532 2      C-13-H3C(O)CH3
  261779.0723  0.0060 -5.1948 3  535.8160760  595161404471631 2    471632 2      C-13-H3C(O)CH3
  261779.0723  0.0060 -4.6416 3  535.8160760  595161404471731 2    471632 2      C-13-H3C(O)CH3
  261781.0656  0.0059 -5.8194 3  535.8169760  595161404471731 1    471632 1      C-13-H3C(O)CH3
  261781.0656  0.0059 -5.8576 3  535.8169760  595161404471631 1    471532 1      C-13-H3C(O)CH3
  261781.0656  0.0059 -4.5576 3  535.8169760  595161404471731 1    471532 1      C-13-H3C(O)CH3
  261781.0656  0.0059 -4.5556 3  535.8169760  595161404471631 1    471632 1      C-13-H3C(O)CH3
  261785.8276  0.0609 -5.8714 3 1102.5507492  595161404614715 4    614616 4      C-13-H3C(O)CH3
  261794.8550  0.0136 -6.5985 3  119.2081328  5951614042017 4 1    2014 7 1      C-13-H3C(O)CH3
  261795.9458  0.0134 -5.4084 3  159.5003196  5951614042416 9 3    2317 6 3      C-13-H3C(O)CH3
  261820.7910  0.0064 -4.9166 3  535.7895380  595161404471631 4    471532 4      C-13-H3C(O)CH3
  261820.7910  0.0064 -5.6029 3  535.7895380  595161404471631 4    471632 4      C-13-H3C(O)CH3
  261820.7910  0.0064 -5.5033 3  535.7895380  595161404471731 4    471532 4      C-13-H3C(O)CH3
  261820.7910  0.0064 -4.9403 3  535.7895380  595161404471731 4    471632 4      C-13-H3C(O)CH3
  261820.7955  0.0064 -5.2542 3  535.7895380  595161404471631 3    471532 3      C-13-H3C(O)CH3
  261820.7955  0.0064 -5.2542 3  535.7895380  595161404471731 3    471632 3      C-13-H3C(O)CH3
  261820.7955  0.0064 -5.0436 3  535.7895380  595161404471631 3    471632 3      C-13-H3C(O)CH3
  261820.7955  0.0064 -5.0436 3  535.7895380  595161404471731 3    471532 3      C-13-H3C(O)CH3
  261827.0617  0.0185 -7.0496 3  119.2244164  5951614042017 4 3    2014 7 3      C-13-H3C(O)CH3
  261828.3565  0.0023 -4.7663 3  112.8214204  59516140425 323 3    24 322 3      C-13-H3C(O)CH3
  261828.3565  0.0023 -4.7663 3  112.8214204  59516140425 223 3    24 222 3      C-13-H3C(O)CH3
  261828.3899  0.0023 -3.8669 3  112.8214204  59516140425 223 4    24 222 4      C-13-H3C(O)CH3
  261828.3899  0.0023 -5.3872 3  112.8214204  59516140425 323 4    24 222 4      C-13-H3C(O)CH3
  261828.4440  0.0023 -5.3872 3  112.8214204 -59516140425 223 4    24 322 4      C-13-H3C(O)CH3
  261828.4440  0.0023 -3.8669 3  112.8214204 -59516140425 323 4    24 322 4      C-13-H3C(O)CH3
  261828.4440  0.0023 -3.9107 3  112.8214204 -59516140425 323 3    24 222 3      C-13-H3C(O)CH3
  261828.4440  0.0023 -3.9107 3  112.8214204 -59516140425 223 3    24 322 3      C-13-H3C(O)CH3
  261833.8801  0.0600 -5.8713 3 1102.5771492  595161404614715 3    614616 3      C-13-H3C(O)CH3
  261842.7480  0.0346 -5.6258 3  715.7722380  5951614044744 3 3    4743 4 3      C-13-H3C(O)CH3
  261846.6191  0.0257 -5.3247 3  715.7396760  5951614044744 4 1    4743 5 1      C-13-H3C(O)CH3
  261860.6106  0.0260 -5.3249 3  715.7605760  5951614044744 3 2    4743 4 2      C-13-H3C(O)CH3
  261861.2995  0.0024 -3.5955 3  112.7740408  59516140425 223 1    24 322 1      C-13-H3C(O)CH3
  261861.2995  0.0024 -3.5955 3  112.7740408  59516140425 323 1    24 222 1      C-13-H3C(O)CH3
  261861.4091  0.0023 -4.0649 3  112.7735408 -59516140425 223 2    24 322 2      C-13-H3C(O)CH3
  261861.4091  0.0024 -4.5818 3  112.7740408 -59516140425 323 1    24 322 1      C-13-H3C(O)CH3
  261861.4091  0.0023 -3.7125 3  112.7735408 -59516140425 323 2    24 322 2      C-13-H3C(O)CH3
  261861.4091  0.0024 -4.5818 3  112.7740408 -59516140425 223 1    24 222 1      C-13-H3C(O)CH3
  261861.4674  0.0023 -3.7125 3  112.7735408  59516140425 223 2    24 222 2      C-13-H3C(O)CH3
  261861.4674  0.0023 -4.0649 3  112.7735408  59516140425 323 2    24 222 2      C-13-H3C(O)CH3
  261894.3219  0.0021 -3.6057 3  112.7263408  59516140425 323 0    24 222 0      C-13-H3C(O)CH3
  261894.3219  0.0021 -4.4919 3  112.7263408  59516140425 223 0    24 222 0      C-13-H3C(O)CH3
  261894.3691  0.0021 -3.6057 3  112.7263408 -59516140425 223 0    24 322 0      C-13-H3C(O)CH3
  261894.3691  0.0021 -4.4919 3  112.7263408 -59516140425 323 0    24 322 0      C-13-H3C(O)CH3
  261908.7957  0.0598 -5.8712 3 1102.5821492  595161404614714 3    614615 3      C-13-H3C(O)CH3
  261913.4009  0.0247 -5.3248 3  715.7836760  5951614044744 3 1    4743 4 1      C-13-H3C(O)CH3
  261925.1301  0.0212 -6.5482 3  180.9672204  5951614042519 6 3    2516 9 3      C-13-H3C(O)CH3
  261952.6085  0.0513 -5.5699 3 1102.5348984  595161404614715 2    614616 2      C-13-H3C(O)CH3
  261956.4744  0.0610 -5.8710 3 1102.6086492  595161404614714 4    614615 4      C-13-H3C(O)CH3
  262014.3387  0.0353 -5.6254 3  715.7597380  5951614044744 4 3    4743 5 3      C-13-H3C(O)CH3
  262017.3906  0.0411 -5.7120 3  980.7448460  595161404574612 3    574513 3      C-13-H3C(O)CH3
  262020.8199  0.0476 -5.5698 3 1102.5308984  595161404614715 1    614616 1      C-13-H3C(O)CH3
  262024.7191  0.0135 -6.6225 3  119.2140328  5951614042017 4 2    2014 7 2      C-13-H3C(O)CH3
  262030.3873  0.0419 -5.7120 3  980.7335460  595161404574612 4    574513 4      C-13-H3C(O)CH3
  262051.0616  0.0452 -5.7119 3  980.7677460  595161404574611 4    574512 4      C-13-H3C(O)CH3
  262063.9928  0.0424 -5.7119 3  980.7565460  595161404574611 3    574512 3      C-13-H3C(O)CH3
  262068.5730  0.0482 -5.5697 3 1102.5573984  595161404614714 1    614615 1      C-13-H3C(O)CH3
  262075.0494  0.0518 -5.5697 3 1102.5662984  595161404614714 2    614615 2      C-13-H3C(O)CH3
  262082.5533  0.0372 -5.6255 3  715.8036380  5951614044744 3 4    4743 4 4      C-13-H3C(O)CH3
  262086.4353  0.0114 -5.0318 3  119.2244172  5951614042113 8 3    2014 7 3      C-13-H3C(O)CH3
  262093.2839  0.0327 -5.4108 3  980.7134920  595161404574612 2    574513 2      C-13-H3C(O)CH3
  262100.3865  0.0063 -6.5723 3   23.6308 84  59516140410 8 3 4     9 5 5 4      C-13-H3C(O)CH3
  262126.5638  0.0344 -5.4107 3  980.7364920  595161404574611 2    574512 2      C-13-H3C(O)CH3
  262141.4220  0.0230 -5.4174 3  449.1393648  595161404402614 0    402317 0      C-13-H3C(O)CH3
  262163.8896  0.0163 -6.3303 3  180.9652408  5951614042519 7 2    2516 9 2      C-13-H3C(O)CH3
  262165.1370  0.0120 -6.5470 3  132.0097180  5951614042214 8 3    2115 6 3      C-13-H3C(O)CH3
  262186.8633  0.0477 -5.5694 3 1102.5150984  595161404614714 0    614615 0      C-13-H3C(O)CH3
  262186.8639  0.0477 -5.5694 3 1102.5150984  595161404614715 0    614616 0      C-13-H3C(O)CH3
  262187.5327  0.0123 -5.7569 3  159.4873196  5951614042416 9 3    2317 7 3      C-13-H3C(O)CH3
  262194.3933  0.0323 -5.4105 3  980.7258920  595161404574611 1    574512 1      C-13-H3C(O)CH3
  262207.4524  0.0330 -5.4106 3  980.7145920  595161404574612 1    574513 1      C-13-H3C(O)CH3
  262254.0029  0.0112 -4.7908 3  119.2081344 -5951614042113 8 1    2014 7 1      C-13-H3C(O)CH3
  262269.4669  0.0279 -5.4104 3  980.6945920  595161404574612 0    574513 0      C-13-H3C(O)CH3
  262269.4669  0.0279 -5.4104 3  980.6945920  595161404574611 0    574512 0      C-13-H3C(O)CH3
  262301.3854  0.0094 -5.2317 3  159.4893392  5951614042416 9 2    2317 7 2      C-13-H3C(O)CH3
  262333.2461  0.0240 -5.4189 3  449.1170648  595161404402614 1    402317 1      C-13-H3C(O)CH3
  262375.7765  0.0113 -5.1359 3   53.0094232  5951614041411 3 2    1310 4 2      C-13-H3C(O)CH3
  262452.6954  0.0089 -4.8190 3  131.9806360 -5951614042214 8 0    2115 7 0      C-13-H3C(O)CH3
  262475.2795  0.0046 -5.2539 3  507.6156744 -595161404461531 0    461432 0      C-13-H3C(O)CH3
  262475.2795  0.0046 -5.2539 3  507.6156744 -595161404461631 0    461532 0      C-13-H3C(O)CH3
  262475.3602  0.0046 -4.5838 3  507.6156744  595161404461531 0    461532 0      C-13-H3C(O)CH3
  262475.3602  0.0046 -4.5838 3  507.6156744  595161404461631 0    461432 0      C-13-H3C(O)CH3
  262504.9167  0.0057 -5.1264 3  507.5867744  595161404461531 2    461432 2      C-13-H3C(O)CH3
  262504.9167  0.0057 -4.6164 3  507.5867744  595161404461531 2    461532 2      C-13-H3C(O)CH3
  262504.9167  0.0057 -4.6164 3  507.5867744  595161404461631 2    461432 2      C-13-H3C(O)CH3
  262504.9167  0.0057 -5.1264 3  507.5867744  595161404461631 2    461532 2      C-13-H3C(O)CH3
  262507.1887  0.0056 -5.1029 3  507.5876744  595161404461531 1    461432 1      C-13-H3C(O)CH3
  262507.1887  0.0056 -4.6240 3  507.5876744  595161404461531 1    461532 1      C-13-H3C(O)CH3
  262507.1887  0.0056 -4.6240 3  507.5876744  595161404461631 1    461432 1      C-13-H3C(O)CH3
  262507.1887  0.0056 -5.1029 3  507.5876744  595161404461631 1    461532 1      C-13-H3C(O)CH3
  262516.4135  0.0090 -6.6914 3   20.5421152  595161404 9 9 0 0     8 6 3 0      C-13-H3C(O)CH3
  262529.9222  0.3530 -6.7712 3 1643.0961612  595161404765225 4    765126 4      C-13-H3C(O)CH3
  262536.7549  0.0060 -4.8564 3  507.5587372  595161404461631 4    461432 4      C-13-H3C(O)CH3
  262536.7549  0.0060 -4.8564 3  507.5587372  595161404461531 4    461532 4      C-13-H3C(O)CH3
  262536.7979  0.0060 -5.1740 3  507.5587372  595161404461531 3    461432 3      C-13-H3C(O)CH3
  262536.7979  0.0060 -5.1740 3  507.5587372  595161404461631 3    461532 3      C-13-H3C(O)CH3
  262536.8102  0.0060 -5.0392 3  507.5587372 -595161404461531 3    461532 3      C-13-H3C(O)CH3
  262536.8102  0.0060 -5.7169 3  507.5587372 -595161404461631 4    461532 4      C-13-H3C(O)CH3
  262536.8102  0.0060 -5.0392 3  507.5587372 -595161404461631 3    461432 3      C-13-H3C(O)CH3
  262536.8102  0.0060 -5.7169 3  507.5587372 -595161404461531 4    461432 4      C-13-H3C(O)CH3
  262574.7816  0.0109 -5.2238 3   53.0027232  5951614041411 3 1    1310 4 1      C-13-H3C(O)CH3
  262602.8127  0.1593 -6.4160 3 1479.1509596  595161404743935 4    743836 4      C-13-H3C(O)CH3
  262602.8657  0.1593 -6.4160 3 1479.1509596  595161404743935 3    743836 3      C-13-H3C(O)CH3
  262621.7572  0.1577 -6.4160 3 1479.1510596  595161404744035 4    743936 4      C-13-H3C(O)CH3
  262621.8248  0.1577 -6.4160 3 1479.1510596  595161404744035 3    743936 3      C-13-H3C(O)CH3
  262632.7962  0.0229 -5.2913 3  841.9752840  5951614045245 8 2    5244 8 2      C-13-H3C(O)CH3
  262634.4884  0.1554 -6.1149 3 1479.1375B92  595161404743935 1    743836 1      C-13-H3C(O)CH3
  262635.9214  0.0087 -5.1919 3  159.4763392  5951614042416 9 1    2317 7 1      C-13-H3C(O)CH3
  262646.2325  0.1608 -6.1149 3 1479.1411B92  595161404743935 2    743836 2      C-13-H3C(O)CH3
  262653.1882  0.1558 -6.1148 3 1479.1376B92  595161404744035 1    743936 1      C-13-H3C(O)CH3
  262656.8307  0.0312 -5.5922 3  841.9901420  5951614045245 8 4    5244 9 4      C-13-H3C(O)CH3
  262663.5099  0.1593 -6.1148 3 1479.1412B92  595161404744035 2    743936 2      C-13-H3C(O)CH3
  262667.9661  0.0343 -6.8827 3  330.1555520  5951614043230 2 1    3131 0 1      C-13-H3C(O)CH3
  262668.1218  0.3393 -6.7725 3 1643.1246612  595161404765225 3    765126 3      C-13-H3C(O)CH3
  262671.0858  0.4089 -6.4699 3 1643.1001C24  595161404765225 1    765126 1      C-13-H3C(O)CH3
  262675.0397  0.0305 -5.3983 3  693.6945744  5951614044644 3 2    4643 4 2      C-13-H3C(O)CH3
  262677.7907  0.1560 -6.1147 3 1479.1277B92  595161404743935 0    743836 0      C-13-H3C(O)CH3
  262694.8252  0.1564 -6.1147 3 1479.1278B92  595161404744035 0    743936 0      C-13-H3C(O)CH3
  262712.2278  0.0250 -5.3985 3  693.7127744  5951614044644 2 0    4643 4 0      C-13-H3C(O)CH3
  262712.2278  0.0250 -5.3985 3  693.7127744  5951614044644 3 0    4643 3 0      C-13-H3C(O)CH3
  262717.0719  0.0280 -5.5922 3  842.0046420  5951614045245 7 3    5244 8 3      C-13-H3C(O)CH3
  262740.4662  0.0236 -5.2912 3  841.9735840  5951614045245 7 2    5244 9 2      C-13-H3C(O)CH3
  262744.2384  0.0114 -4.9287 3  807.0675904  595161404562432 0    562333 0      C-13-H3C(O)CH3
  262744.2385  0.0114 -4.9287 3  807.0675904  595161404562532 0    562433 0      C-13-H3C(O)CH3
  262747.8040  0.0897 -6.0414 3 1275.6896556  595161404693534 4    693435 4      C-13-H3C(O)CH3
  262747.8221  0.0897 -6.0414 3 1275.6895556  595161404693534 3    693435 3      C-13-H3C(O)CH3
  262749.5368  0.0896 -6.0413 3 1275.6896556  595161404693634 4    693535 4      C-13-H3C(O)CH3
  262749.5588  0.0895 -6.0414 3 1275.6895556  595161404693634 3    693535 3      C-13-H3C(O)CH3
  262764.1760  0.0303 -5.5921 3  841.9883420  5951614045245 8 3    5244 9 3      C-13-H3C(O)CH3
  262771.9237  0.0207 -5.2911 3  841.9563840  5951614045245 8 0    5244 8 0      C-13-H3C(O)CH3
  262771.9237  0.0207 -5.2911 3  841.9563840  5951614045245 7 0    5244 9 0      C-13-H3C(O)CH3
  262772.1256  0.0855 -5.7402 3 1275.6715B12  595161404693534 1    693435 1      C-13-H3C(O)CH3
  262773.7907  0.0855 -5.7402 3 1275.6715B12  595161404693634 1    693535 1      C-13-H3C(O)CH3
  262779.4929  0.0896 -5.7402 3 1275.6742B12  595161404693534 2    693435 2      C-13-H3C(O)CH3
  262781.0237  0.0895 -5.7402 3 1275.6742B12  595161404693634 2    693535 2      C-13-H3C(O)CH3
  262787.6062  0.0129 -4.9284 3  807.0664904  595161404562432 1    562333 1      C-13-H3C(O)CH3
  262787.6064  0.0129 -4.9284 3  807.0664904  595161404562532 1    562433 1      C-13-H3C(O)CH3
  262789.3607  0.0168 -4.9284 3  807.0664904  595161404562432 2    562333 2      C-13-H3C(O)CH3
  262789.3609  0.0168 -4.9284 3  807.0664904  595161404562532 2    562433 2      C-13-H3C(O)CH3
  262796.6661  0.0238 -5.2910 3  841.9711840  5951614045245 8 1    5244 9 1      C-13-H3C(O)CH3
  262797.7221  0.0340 -6.8812 3  330.1910520  5951614043230 2 0    3131 1 0      C-13-H3C(O)CH3
  262797.7221  0.0340 -6.8812 3  330.1910520  5951614043230 3 0    3131 0 0      C-13-H3C(O)CH3
  262803.7763  0.0854 -5.7401 3 1275.6562B12  595161404693534 0    693435 0      C-13-H3C(O)CH3
  262805.2430  0.0854 -5.7401 3 1275.6562B12  595161404693634 0    693535 0      C-13-H3C(O)CH3
  262807.0256  0.3046 -6.7722 3 1643.1294612  595161404765224 3    765125 3      C-13-H3C(O)CH3
  262816.8557  0.0344 -5.4242 3  449.1033648  595161404402614 2    402317 2      C-13-H3C(O)CH3
  262825.2652  0.0302 -5.5921 3  842.0028420  5951614045245 7 4    5244 8 4      C-13-H3C(O)CH3
  262832.8043  0.0169 -5.2292 3  807.0652452  595161404562432 3    562333 3      C-13-H3C(O)CH3
  262832.8046  0.0169 -5.2292 3  807.0652452  595161404562532 3    562433 3      C-13-H3C(O)CH3
  262832.9277  0.0170 -5.2292 3  807.0652452  595161404562432 4    562333 4      C-13-H3C(O)CH3
  262832.9279  0.0170 -5.2292 3  807.0652452  595161404562532 4    562433 4      C-13-H3C(O)CH3
  262857.1143  0.0220 -5.2910 3  841.9856840  5951614045245 7 1    5244 8 1      C-13-H3C(O)CH3
  262860.1268  0.3763 -6.4694 3 1643.0863C24  595161404765225 2    765126 2      C-13-H3C(O)CH3
  262866.5675  0.0416 -5.6988 3  693.6920372  5951614044644 3 4    4643 4 4      C-13-H3C(O)CH3
  262876.2734  0.0165 -6.2608 3  180.9736408  5951614042519 6 1    2516 9 1      C-13-H3C(O)CH3
  262904.2369  0.0300 -5.3979 3  693.7102744  5951614044644 3 1    4643 4 1      C-13-H3C(O)CH3
  262904.9432  0.7076 -6.8569 3 1851.9742D04  595161404815428 1    815329 1      C-13-H3C(O)CH3
  262920.1490  0.0027 -3.8383 3  114.8817212  59516140426 125 3    25 124 3      C-13-H3C(O)CH3
  262920.1490  0.0027 -5.0628 3  114.8817212  59516140426 225 3    25 124 3      C-13-H3C(O)CH3
  262920.1723  0.0027 -3.8191 3  114.8817212  59516140426 225 4    25 224 4      C-13-H3C(O)CH3
  262920.1723  0.0027 -5.6781 3  114.8817212  59516140426 125 4    25 224 4      C-13-H3C(O)CH3
  262920.2012  0.0027 -3.8191 3  114.8817212 -59516140426 125 4    25 124 4      C-13-H3C(O)CH3
  262920.2012  0.0027 -5.0628 3  114.8817212 -59516140426 125 3    25 224 3      C-13-H3C(O)CH3
  262920.2012  0.0027 -5.6781 3  114.8817212 -59516140426 225 4    25 124 4      C-13-H3C(O)CH3
  262920.2012  0.0027 -3.8383 3  114.8817212 -59516140426 225 3    25 224 3      C-13-H3C(O)CH3
  262923.3498  0.0419 -5.6990 3  693.7423372  5951614044644 2 3    4643 3 3      C-13-H3C(O)CH3
  262939.4103  0.0324 -5.3980 3  693.7354744  5951614044644 2 2    4643 3 2      C-13-H3C(O)CH3
  262940.8033  0.0029 -3.7490 3  114.8244424  59516140426 125 1    25 124 1      C-13-H3C(O)CH3
  262940.8033  0.0029 -3.7490 3  114.8244424  59516140426 225 1    25 224 1      C-13-H3C(O)CH3
  262940.9147  0.0029 -3.8880 3  114.8244424 -59516140426 125 1    25 224 1      C-13-H3C(O)CH3
  262940.9147  0.0028 -3.6095 3  114.8240424 -59516140426 225 2    25 224 2      C-13-H3C(O)CH3
  262940.9147  0.0028 -4.2083 3  114.8240424 -59516140426 125 2    25 224 2      C-13-H3C(O)CH3
  262940.9147  0.0029 -3.8880 3  114.8244424 -59516140426 225 1    25 124 1      C-13-H3C(O)CH3
  262940.9226  0.0028 -3.6095 3  114.8240424  59516140426 125 2    25 124 2      C-13-H3C(O)CH3
  262940.9226  0.0028 -4.2083 3  114.8240424  59516140426 225 2    25 124 2      C-13-H3C(O)CH3
  262942.8225  0.0329 -5.7216 3  449.0810324  595161404402614 3    402317 3      C-13-H3C(O)CH3
  262944.8216  0.3177 -6.7704 3 1643.1580612  595161404765224 4    765125 4      C-13-H3C(O)CH3
  262948.2913  0.3887 -6.4693 3 1643.1334C24  595161404765224 1    765125 1      C-13-H3C(O)CH3
  262960.9834  0.0297 -5.3981 3  693.7606744  5951614044644 2 1    4643 3 1      C-13-H3C(O)CH3
  262961.5184  0.0025 -3.8261 3  114.7668424  59516140426 225 0    25 224 0      C-13-H3C(O)CH3
  262961.5184  0.0025 -3.7999 3  114.7668424  59516140426 125 0    25 224 0      C-13-H3C(O)CH3
  262961.5292  0.0025 -3.7999 3  114.7668424 -59516140426 225 0    25 124 0      C-13-H3C(O)CH3
  262961.5292  0.0025 -3.8261 3  114.7668424 -59516140426 125 0    25 124 0      C-13-H3C(O)CH3
  262980.3662  0.0073 -6.0693 3  128.6581360  595161404221210 2    22 913 2      C-13-H3C(O)CH3
  262993.3763  0.4212 -6.4691 3 1643.0907C24  595161404765224 0    765125 0      C-13-H3C(O)CH3
  262996.9271  0.0166 -5.1533 3  119.1949172  5951614042113 8 4    2014 7 4      C-13-H3C(O)CH3
  262997.4331  0.3700 -6.4692 3 1643.1149C24  595161404765224 2    765125 2      C-13-H3C(O)CH3
  263004.8468  0.0332 -6.8814 3  330.1354520  5951614043230 2 2    3131 0 2      C-13-H3C(O)CH3
  263009.6768  0.4208 -6.4690 3 1643.0900C24  595161404765225 0    765126 0      C-13-H3C(O)CH3
  263023.9382  0.0118 -4.9392 3  131.9673360  5951614042214 8 2    2115 7 2      C-13-H3C(O)CH3
  263028.2880  0.0071 -7.0560 3   52.1293248  59516140415 6 9 2    15 312 2      C-13-H3C(O)CH3
  263030.7839  0.0235 -6.5498 3  180.9682204  5951614042519 6 4    2516 9 4      C-13-H3C(O)CH3
  263033.7615  0.0078 -6.3736 3  128.6706180  595161404221210 3    22 913 3      C-13-H3C(O)CH3
  263052.4653  0.0104 -6.3736 3  128.6706180  595161404221210 4    22 913 4      C-13-H3C(O)CH3
  263055.9558  0.0071 -7.0571 3   52.1300248  59516140415 6 9 1    15 312 1      C-13-H3C(O)CH3
  263059.5801  0.0373 -5.7312 3  449.0812324  595161404402614 4    402317 4      C-13-H3C(O)CH3
  263092.5047  0.0376 -6.8807 3  330.1098520  5951614043230 3 1    3131 1 1      C-13-H3C(O)CH3
  263103.2951  0.0068 -6.0668 3  128.6480360  595161404221210 0    22 913 0      C-13-H3C(O)CH3
  263110.2000  0.0071 -7.0558 3   52.1293248  59516140415 7 9 2    15 412 2      C-13-H3C(O)CH3
  263121.7189  0.0841 -6.0191 3 1201.4138516  595161404644817 4    644718 4      C-13-H3C(O)CH3
  263129.4612  0.0413 -6.9965 3  378.1911600  595161404372215 2    362511 2      C-13-H3C(O)CH3
  263130.0326  0.6195 -6.8555 3 1851.9478D04  595161404815428 2    815329 2      C-13-H3C(O)CH3
  263131.6048  0.0434 -5.6985 3  693.7328372  5951614044644 3 3    4643 4 3      C-13-H3C(O)CH3
  263134.9321  0.6545 -6.8521 3 1851.9677D04  595161404815427 0    815328 0      C-13-H3C(O)CH3
  263135.8252  0.0070 -7.0569 3   52.1300248  59516140415 7 9 1    15 412 1      C-13-H3C(O)CH3
  263135.8296  0.0265 -6.3328 3  303.4227504  5951614043128 3 1    3029 1 1      C-13-H3C(O)CH3
  263136.2383  0.0164 -5.4502 3  145.4576188  5951614042315 8 4    2216 6 4      C-13-H3C(O)CH3
  263136.7778  0.0130 -5.9984 3  180.9711408  5951614042519 6 0    2516 9 0      C-13-H3C(O)CH3
  263138.7402  0.0061 -6.0925 3  171.6728204  595161404251610 4    251313 4      C-13-H3C(O)CH3
  263143.7171  0.0271 -6.3318 3  303.4727504  5951614043128 3 0    3029 2 0      C-13-H3C(O)CH3
  263143.7171  0.0271 -6.3318 3  303.4727504  5951614043128 4 0    3029 1 0      C-13-H3C(O)CH3
  263152.3631  0.0368 -5.3337 3 1048.1911A16  595161404633033 1    632934 1      C-13-H3C(O)CH3
  263152.4045  0.0368 -5.3337 3 1048.1911A16  595161404633133 1    633034 1      C-13-H3C(O)CH3
  263152.9474  0.0356 -5.3337 3 1048.1773A16  595161404633033 0    632934 0      C-13-H3C(O)CH3
  263152.9821  0.0356 -5.3337 3 1048.1773A16  595161404633133 0    633034 0      C-13-H3C(O)CH3
  263156.4913  0.0431 -5.6347 3 1048.2064508  595161404633033 3    632934 3      C-13-H3C(O)CH3
  263156.5367  0.0431 -5.6347 3 1048.2064508  595161404633133 3    633034 3      C-13-H3C(O)CH3
  263156.5465  0.0432 -5.6347 3 1048.2064508  595161404633033 4    632934 4      C-13-H3C(O)CH3
  263156.5916  0.0432 -5.6347 3 1048.2064508  595161404633133 4    633034 4      C-13-H3C(O)CH3
  263157.0426  0.0422 -5.3337 3 1048.1925A16  595161404633033 2    632934 2      C-13-H3C(O)CH3
  263157.0807  0.0422 -5.3337 3 1048.1925A16  595161404633133 2    633034 2      C-13-H3C(O)CH3
  263164.3519  0.0072 -6.0703 3  128.6604360  595161404221210 1    22 913 1      C-13-H3C(O)CH3
  263164.4007  0.6443 -6.8555 3 1851.9723D04  595161404815427 2    815328 2      C-13-H3C(O)CH3
  263167.9387  0.0043 -4.4765 3  479.9690728  595161404451431 0    451332 0      C-13-H3C(O)CH3
  263167.9387  0.0043 -4.4678 3  479.9690728  595161404451531 0    451432 0      C-13-H3C(O)CH3
  263167.9849  0.0043 -6.1699 3  479.9690728 -595161404451431 0    451432 0      C-13-H3C(O)CH3
  263184.4969  0.0054 -4.5500 3  479.9393728  595161404451531 2    451332 2      C-13-H3C(O)CH3
  263184.4969  0.0054 -5.2303 3  479.9393728  595161404451431 2    451332 2      C-13-H3C(O)CH3
  263184.4969  0.0054 -5.2303 3  479.9393728  595161404451531 2    451432 2      C-13-H3C(O)CH3
  263184.4969  0.0054 -4.5500 3  479.9393728  595161404451431 2    451432 2      C-13-H3C(O)CH3
  263187.0013  0.0055 -4.9031 3  479.9402728  595161404451431 1    451332 1      C-13-H3C(O)CH3
  263187.0013  0.0055 -4.6662 3  479.9402728  595161404451431 1    451432 1      C-13-H3C(O)CH3
  263187.0013  0.0055 -4.6662 3  479.9402728  595161404451531 1    451332 1      C-13-H3C(O)CH3
  263187.0013  0.0055 -4.9031 3  479.9402728  595161404451531 1    451432 1      C-13-H3C(O)CH3
  263189.9214  0.0455 -5.6986 3  693.7831372  5951614044644 2 4    4643 3 4      C-13-H3C(O)CH3
  263193.8944  0.0056 -6.0916 3  171.6728204  595161404251610 3    251313 3      C-13-H3C(O)CH3
  263201.2239  0.6198 -6.8563 3 1851.9970D04  595161404815427 1    815328 1      C-13-H3C(O)CH3
  263203.5091  0.0057 -5.9685 3  479.9104364  595161404451431 4    451332 4      C-13-H3C(O)CH3
  263203.5091  0.0057 -4.7969 3  479.9104364  595161404451431 4    451432 4      C-13-H3C(O)CH3
  263203.5091  0.0057 -5.9685 3  479.9104364  595161404451531 4    451432 4      C-13-H3C(O)CH3
  263203.5091  0.0057 -4.7969 3  479.9104364  595161404451531 4    451332 4      C-13-H3C(O)CH3
  263203.5944  0.0057 -5.6769 3  479.9105364  595161404451431 3    451432 3      C-13-H3C(O)CH3
  263203.5944  0.0057 -4.8258 3  479.9105364  595161404451431 3    451332 3      C-13-H3C(O)CH3
  263203.5944  0.0057 -4.8258 3  479.9105364  595161404451531 3    451432 3      C-13-H3C(O)CH3
  263203.5944  0.0057 -5.6769 3  479.9105364  595161404451531 3    451332 3      C-13-H3C(O)CH3
  263204.7118  0.0131 -5.1317 3  131.9750180  5951614042214 8 3    2115 7 3      C-13-H3C(O)CH3
  263212.3651  0.0846 -6.0189 3 1201.4485516  595161404644817 3    644718 3      C-13-H3C(O)CH3
  263263.2722  0.6505 -6.8517 3 1851.9627D04  595161404815428 0    815329 0      C-13-H3C(O)CH3
  263270.2328  0.0060 -5.7891 3  171.6777408  595161404251610 1    251313 1      C-13-H3C(O)CH3
  263281.7201  0.0782 -6.0188 3 1201.4488516  595161404644816 3    644717 3      C-13-H3C(O)CH3
  263284.8047  0.0120 -5.4236 3  159.4433196  5951614042416 9 4    2317 7 4      C-13-H3C(O)CH3
  263297.1290  0.0168 -6.2724 3  180.9652408  5951614042519 6 2    2516 9 2      C-13-H3C(O)CH3
  263303.7312  0.0112 -6.4128 3   25.2218168  59516140410 9 2 1     9 6 3 1      C-13-H3C(O)CH3
  263307.6725  0.0071 -6.3790 3   23.5714168  59516140410 8 3 1     9 5 5 1      C-13-H3C(O)CH3
  263334.1964  0.0059 -5.7885 3  171.6738408  595161404251610 2    251313 2      C-13-H3C(O)CH3
  263339.3424  0.0340 -6.8789 3  330.1154520  5951614043230 3 2    3131 1 2      C-13-H3C(O)CH3
  263347.8400  0.0769 -5.7175 3 1201.4011A32  595161404644817 2    644718 2      C-13-H3C(O)CH3
  263361.4979  0.0133 -6.5190 3  119.2163328  5951614042017 4 0    2014 7 0      C-13-H3C(O)CH3
  263369.7970  0.0700 -5.7175 3 1201.3964A32  595161404644817 1    644718 1      C-13-H3C(O)CH3
  263371.8544  0.0806 -6.0186 3 1201.4836516  595161404644816 4    644717 4      C-13-H3C(O)CH3
  263399.6518  0.0069 -7.0518 3   52.0775248  59516140415 6 9 0    15 312 0      C-13-H3C(O)CH3
  263403.6165  0.0509 -6.9350 3  554.5136728  595161404452620 2    442915 2      C-13-H3C(O)CH3
  263415.8747  0.0122 -5.2766 3  145.4397376  5951614042315 8 2    2216 6 2      C-13-H3C(O)CH3
  263435.7580  0.0062 -5.7864 3  171.6787408  595161404251610 0    251313 0      C-13-H3C(O)CH3
  263446.9657  0.0269 -6.6333 3  303.3624252  5951614043128 3 4    3029 1 4      C-13-H3C(O)CH3
  263455.5563  0.0263 -6.3313 3  303.4123504  5951614043128 4 2    3029 1 2      C-13-H3C(O)CH3
  263460.1103  0.0774 -5.7173 3 1201.4310A32  595161404644816 1    644717 1      C-13-H3C(O)CH3
  263482.8136  0.0068 -7.0516 3   52.0775248  59516140415 7 9 0    15 412 0      C-13-H3C(O)CH3
  263489.9626  0.0033 -5.1232 3   34.6538100  59516140412 8 5 4    11 5 6 4      C-13-H3C(O)CH3
  263490.5175  0.0085 -6.4029 3   23.5706168  59516140410 8 3 2     9 5 5 2      C-13-H3C(O)CH3
  263499.1093  0.0286 -6.3308 3  303.3967504  5951614043128 4 1    3029 2 1      C-13-H3C(O)CH3
  263507.3431  0.0762 -5.7172 3 1201.4362A32  595161404644816 2    644717 2      C-13-H3C(O)CH3
  263554.6434  0.0123 -4.9672 3  131.9582360  5951614042214 8 1    2115 7 1      C-13-H3C(O)CH3
  263588.8303  0.0120 -5.2297 3  145.4401376  5951614042315 8 1    2216 6 1      C-13-H3C(O)CH3
  263595.3837  0.0788 -5.7169 3 1201.3837A32  595161404644816 0    644717 0      C-13-H3C(O)CH3
  263595.3897  0.0788 -5.7169 3 1201.3837A32  595161404644817 0    644718 0      C-13-H3C(O)CH3
  263601.4924  0.0128 -6.4094 3   25.2195168  59516140410 9 2 2     9 6 3 2      C-13-H3C(O)CH3
  263621.9220  0.0097 -5.1682 3  193.4561424  5951614042619 8 0    2520 5 0      C-13-H3C(O)CH3
  263628.7497  0.0272 -6.6314 3  303.3601252  5951614043128 3 3    3029 1 3      C-13-H3C(O)CH3
  263638.5178  0.0262 -6.3294 3  303.4100504  5951614043128 3 2    3029 2 2      C-13-H3C(O)CH3
  263652.4587  0.0299 -5.5240 3  672.1837728  5951614044544 2 0    4543 3 0      C-13-H3C(O)CH3
  263652.4587  0.0299 -5.5240 3  672.1837728  5951614044544 1 0    4543 2 0      C-13-H3C(O)CH3
  263653.6635  0.0365 -5.5238 3  672.1588728  5951614044544 2 2    4543 3 2      C-13-H3C(O)CH3
  263682.5995  0.0035 -5.1186 3   34.6534100  59516140412 8 5 3    11 5 6 3      C-13-H3C(O)CH3
  263691.4622  0.0369 -6.9733 3  576.7512744  595161404462621 2    452916 2      C-13-H3C(O)CH3
  263747.5516  0.2418 -6.5602 3 1525.7113588  595161404735123 4    735024 4      C-13-H3C(O)CH3
  263762.5787  0.0097 -5.1677 3  193.4560424  5951614042619 7 0    2520 6 0      C-13-H3C(O)CH3
  263768.9460  0.0086 -5.1694 3  193.4513424  5951614042619 7 2    2520 5 2      C-13-H3C(O)CH3
  263808.3041  0.0270 -6.6313 3  303.3364252  5951614043128 4 3    3029 2 3      C-13-H3C(O)CH3
  263809.8981  0.0354 -6.6056 3  378.1684600  595161404372215 2    362512 2      C-13-H3C(O)CH3
  263820.1638  0.0042 -5.3113 3  452.9047712  595161404441431 0    441332 0      C-13-H3C(O)CH3
  263820.1638  0.0042 -4.4401 3  452.9047712  595161404441331 0    441232 0      C-13-H3C(O)CH3
  263820.1638  0.0042 -4.5019 3  452.9047712  595161404441431 0    441232 0      C-13-H3C(O)CH3
  263820.6248  0.0053 -4.4401 3  452.8750712  595161404441431 2    441232 2      C-13-H3C(O)CH3
  263820.6248  0.0053 -4.4401 3  452.8750712  595161404441331 2    441332 2      C-13-H3C(O)CH3
  263822.7291  0.0123 -6.6081 3   25.2792 84  59516140410 9 2 3     9 6 3 3      C-13-H3C(O)CH3
  263823.3100  0.0054 -5.1820 3  452.8759712  595161404441431 1    441332 1      C-13-H3C(O)CH3
  263823.3100  0.0054 -4.5259 3  452.8759712  595161404441431 1    441232 1      C-13-H3C(O)CH3
  263823.3100  0.0054 -4.5552 3  452.8759712  595161404441331 1    441332 1      C-13-H3C(O)CH3
  263823.3100  0.0054 -5.0696 3  452.8759712  595161404441331 1    441232 1      C-13-H3C(O)CH3
  263823.6531  0.0055 -4.7827 3  452.8461356  595161404441331 4    441332 4      C-13-H3C(O)CH3
  263823.6531  0.0055 -5.7709 3  452.8461356  595161404441331 4    441232 4      C-13-H3C(O)CH3
  263823.6531  0.0055 -4.7827 3  452.8461356  595161404441431 4    441232 4      C-13-H3C(O)CH3
  263823.6531  0.0055 -5.7709 3  452.8461356  595161404441431 4    441332 4      C-13-H3C(O)CH3
  263823.7829  0.0055 -4.7402 3  452.8461356  595161404441331 3    441332 3      C-13-H3C(O)CH3
  263823.7829  0.0055 -4.7402 3  452.8461356  595161404441431 3    441232 3      C-13-H3C(O)CH3
  263826.7999  0.0296 -6.9092 3  554.5037728  595161404452620 1    442915 1      C-13-H3C(O)CH3
  263854.0401  0.0068 -6.0379 3  187.1425212  595161404261710 4    261413 4      C-13-H3C(O)CH3
  263883.1731  0.0356 -5.5234 3  672.1800728  5951614044544 2 1    4543 3 1      C-13-H3C(O)CH3
  263884.1594  0.0494 -5.8242 3  672.1551364  5951614044544 2 4    4543 3 4      C-13-H3C(O)CH3
  263891.1490  0.0036 -4.8189 3   34.6001200  59516140412 8 5 1    11 5 6 1      C-13-H3C(O)CH3
  263896.1210  0.0283 -6.9687 3  576.7480744  595161404462621 1    452916 1      C-13-H3C(O)CH3
  263899.0539  0.0428 -5.6863 3  953.7331452  595161404564610 4    564511 4      C-13-H3C(O)CH3
  263904.4952  0.0389 -5.6863 3  953.7131452  595161404564611 3    564512 3      C-13-H3C(O)CH3
  263914.2779  0.0099 -4.8730 3  773.6305888  595161404552332 0    552233 0      C-13-H3C(O)CH3
  263914.2779  0.0099 -4.8730 3  773.6305888  595161404552432 0    552333 0      C-13-H3C(O)CH3
  263917.8392  0.2113 -6.5599 3 1525.7433588  595161404735123 3    735024 3      C-13-H3C(O)CH3
  263920.8473  0.0213 -5.9590 3  278.0631488  5951614043026 5 0    2927 2 0      C-13-H3C(O)CH3
  263920.8476  0.0213 -5.9590 3  278.0631488  5951614043026 4 0    2927 3 0      C-13-H3C(O)CH3
  263926.3275  0.0359 -5.5236 3  672.2367728  5951614044544 1 1    4543 2 1      C-13-H3C(O)CH3
  263927.4141  0.0506 -5.8244 3  672.2117364  5951614044544 2 3    4543 2 3      C-13-H3C(O)CH3
  263929.6033  0.0392 -5.6863 3  953.7265452  595161404564610 3    564511 3      C-13-H3C(O)CH3
  263932.0397  0.2732 -6.2587 3 1525.7083B76  595161404735123 1    735024 1      C-13-H3C(O)CH3
  263933.5403  0.0433 -6.8760 3  378.1457300  595161404372215 3    362512 3      C-13-H3C(O)CH3
  263935.2957  0.0392 -5.6864 3  953.7065452  595161404564611 4    564512 4      C-13-H3C(O)CH3
  263940.2217  0.0412 -5.5234 3  672.2098728  5951614044544 1 2    4543 2 2      C-13-H3C(O)CH3
  263940.6427  0.0060 -6.0347 3  187.1424212  595161404261710 3    261413 3      C-13-H3C(O)CH3
  263941.1215  0.1181 -6.1837 3 1304.8860540  595161404674919 4    674820 4      C-13-H3C(O)CH3
  263941.1723  0.2455 -6.7331 3 1650.0983628  595161404784236 4    784137 4      C-13-H3C(O)CH3
  263941.2310  0.2456 -6.7331 3 1650.0983628  595161404784236 3    784137 3      C-13-H3C(O)CH3
  263952.7147  0.0041 -4.8195 3   34.5981200  59516140412 8 5 2    11 5 6 2      C-13-H3C(O)CH3
  263955.0233  0.0320 -5.3852 3  953.7054904  595161404564610 2    564511 2      C-13-H3C(O)CH3
  263960.8595  0.0304 -5.3852 3  953.6854904  595161404564611 2    564512 2      C-13-H3C(O)CH3
  263963.2725  0.0113 -4.8727 3  773.6261888  595161404552332 1    552233 1      C-13-H3C(O)CH3
  263963.2725  0.0113 -4.8727 3  773.6261888  595161404552432 1    552333 1      C-13-H3C(O)CH3
  263964.5883  0.0147 -4.8727 3  773.6259888  595161404552332 2    552233 2      C-13-H3C(O)CH3
  263964.5884  0.0147 -4.8727 3  773.6259888  595161404552432 2    552333 2      C-13-H3C(O)CH3
  263966.4820  0.2350 -6.4320 3 1650.0911C56  595161404784236 1    784137 1      C-13-H3C(O)CH3
  263980.1623  0.2186 -6.5598 3 1525.7501588  595161404735122 3    735023 3      C-13-H3C(O)CH3
  263984.9692  0.2476 -6.4320 3 1650.0950C56  595161404784236 2    784137 2      C-13-H3C(O)CH3
  263987.8807  0.0067 -5.7332 3  187.1514424  595161404261710 1    261413 1      C-13-H3C(O)CH3
  263989.1183  0.0315 -6.6295 3  303.3341252  5951614043128 4 4    3029 2 4      C-13-H3C(O)CH3
  263990.1308  0.0278 -6.9131 3  193.3956212  5951614042619 8 3    2520 5 3      C-13-H3C(O)CH3
  264010.1599  0.2358 -6.4319 3 1650.0878C56  595161404784236 0    784137 0      C-13-H3C(O)CH3
  264011.9688  0.0091 -5.1676 3  193.4409424  5951614042619 7 1    2520 5 1      C-13-H3C(O)CH3
  264012.1120  0.0109 -6.7570 3   25.2792 84  59516140410 9 1 3     9 6 3 3      C-13-H3C(O)CH3
  264013.6636  0.0146 -5.1735 3  773.6215444  595161404552332 3    552233 3      C-13-H3C(O)CH3
  264013.6637  0.0146 -5.1735 3  773.6215444  595161404552432 3    552333 3      C-13-H3C(O)CH3
  264013.7895  0.0147 -5.1735 3  773.6215444  595161404552332 4    552233 4      C-13-H3C(O)CH3
  264013.7896  0.0147 -5.1735 3  773.6215444  595161404552432 4    552333 4      C-13-H3C(O)CH3
  264016.4350  0.2384 -6.7329 3 1650.0987628  595161404784336 4    784237 4      C-13-H3C(O)CH3
  264016.5129  0.2382 -6.7329 3 1650.0987628  595161404784336 3    784237 3      C-13-H3C(O)CH3
  264018.4978  0.0034 -4.1357 3  116.4025220  59516140427 027 4    26 126 4      C-13-H3C(O)CH3
  264018.4978  0.0034 -4.1357 3  116.4025220  59516140427 127 4    26 026 4      C-13-H3C(O)CH3
  264018.4983  0.0034 -4.8385 3  116.4025220  59516140427 027 3    26 026 3      C-13-H3C(O)CH3
  264018.4983  0.0034 -4.8385 3  116.4025220  59516140427 127 3    26 126 3      C-13-H3C(O)CH3
  264018.5282  0.0034 -3.8138 3  116.4025220 -59516140427 027 3    26 126 3      C-13-H3C(O)CH3
  264018.5282  0.0034 -4.0227 3  116.4025220 -59516140427 127 4    26 126 4      C-13-H3C(O)CH3
  264018.5282  0.0034 -4.0227 3  116.4025220 -59516140427 027 4    26 026 4      C-13-H3C(O)CH3
  264018.5282  0.0034 -3.8138 3  116.4025220 -59516140427 127 3    26 026 3      C-13-H3C(O)CH3
  264022.9369  0.0223 -5.2920 3  817.4607824  5951614045145 7 2    5144 8 2      C-13-H3C(O)CH3
  264024.2723  0.0039 -3.5098 3  116.3328440  59516140427 027 1    26 026 1      C-13-H3C(O)CH3
  264024.2723  0.0039 -3.5098 3  116.3328440  59516140427 127 1    26 126 1      C-13-H3C(O)CH3
  264024.3602  0.0039 -4.5681 3  116.3328440 -59516140427 027 1    26 126 1      C-13-H3C(O)CH3
  264024.3602  0.0039 -4.5681 3  116.3328440 -59516140427 127 1    26 026 1      C-13-H3C(O)CH3
  264024.3602  0.0037 -3.5586 3  116.3323440 -59516140427 127 2    26 026 2      C-13-H3C(O)CH3
  264024.3602  0.0037 -4.2226 3  116.3323440 -59516140427 027 2    26 026 2      C-13-H3C(O)CH3
  264024.3923  0.0037 -3.5586 3  116.3323440  59516140427 027 2    26 126 2      C-13-H3C(O)CH3
  264024.3923  0.0037 -4.2226 3  116.3323440  59516140427 127 2    26 126 2      C-13-H3C(O)CH3
  264024.9778  0.0207 -5.9594 3  278.0032488  5951614043026 5 1    2927 2 1      C-13-H3C(O)CH3
  264030.1468  0.0034 -6.0986 3  116.2628440  59516140427 127 0    26 026 0      C-13-H3C(O)CH3
  264030.1468  0.0034 -6.0986 3  116.2628440  59516140427 027 0    26 126 0      C-13-H3C(O)CH3
  264030.2464  0.0034 -3.4742 3  116.2628440 -59516140427 127 0    26 126 0      C-13-H3C(O)CH3
  264030.2464  0.0034 -3.4742 3  116.2628440 -59516140427 027 0    26 026 0      C-13-H3C(O)CH3
  264041.9547  0.2355 -6.4318 3 1650.0915C56  595161404784336 1    784237 1      C-13-H3C(O)CH3
  264050.0595  0.0311 -5.3850 3  953.6958904  595161404564610 1    564511 1      C-13-H3C(O)CH3
  264054.4320  0.0092 -5.1688 3  193.4109424  5951614042619 8 2    2520 6 2      C-13-H3C(O)CH3
  264054.9368  0.2405 -6.4318 3 1650.0953C56  595161404784336 2    784237 2      C-13-H3C(O)CH3
  264067.4123  0.0407 -6.9274 3  378.1412300  595161404372215 4    362512 4      C-13-H3C(O)CH3
  264076.9635  0.2622 -6.2584 3 1525.7023B76  595161404735123 2    735024 2      C-13-H3C(O)CH3
  264077.7468  0.1183 -6.1835 3 1304.9255540  595161404674918 3    674819 3      C-13-H3C(O)CH3
  264078.4751  0.0090 -5.1682 3  193.3955424  5951614042619 8 1    2520 6 1      C-13-H3C(O)CH3
  264079.3962  0.0304 -5.5928 3  817.4724412  5951614045145 7 4    5144 8 4      C-13-H3C(O)CH3
  264080.2934  0.2364 -6.4316 3 1650.0882C56  595161404784336 0    784237 0      C-13-H3C(O)CH3
  264080.7474  0.0307 -5.3850 3  953.6893904  595161404564611 1    564512 1      C-13-H3C(O)CH3
  264083.8822  0.0127 -5.4667 3  193.4361212  5951614042619 7 4    2520 5 4      C-13-H3C(O)CH3
  264091.9674  0.0545 -5.8328 3 1073.4909484  595161404604714 4    604615 4      C-13-H3C(O)CH3
  264105.4918  0.0258 -5.3849 3  953.6682904  595161404564611 0    564512 0      C-13-H3C(O)CH3
  264105.4918  0.0258 -5.3849 3  953.6682904  595161404564610 0    564511 0      C-13-H3C(O)CH3
  264111.7301  0.0538 -5.8327 3 1073.5145484  595161404604714 3    604615 3      C-13-H3C(O)CH3
  264122.3738  0.1031 -6.1834 3 1304.9219540  595161404674919 3    674820 3      C-13-H3C(O)CH3
  264124.8156  0.0064 -5.7323 3  187.1470424  595161404261710 2    261413 2      C-13-H3C(O)CH3
  264140.5752  0.0098 -5.4827 3  193.3906212  5951614042619 8 3    2520 6 3      C-13-H3C(O)CH3
  264142.2363  0.0274 -5.5929 3  817.4932412  5951614045145 6 3    5144 7 3      C-13-H3C(O)CH3
  264149.1605  0.0207 -5.2918 3  817.4483824  5951614045145 6 0    5144 8 0      C-13-H3C(O)CH3
  264149.1605  0.0207 -5.2918 3  817.4483824  5951614045145 7 0    5144 7 0      C-13-H3C(O)CH3
  264149.9968  0.2135 -6.5594 3 1525.7822588  595161404735122 4    735023 4      C-13-H3C(O)CH3
  264160.8780  0.0020 -5.6466 3   58.5514124  5951614041510 5 4    14 9 5 4      C-13-H3C(O)CH3
  264163.3722  0.0083 -4.8787 3  145.4141376  5951614042315 8 0    2216 7 0      C-13-H3C(O)CH3
  264164.3066  0.2811 -6.2583 3 1525.7472B76  595161404735122 1    735023 1      C-13-H3C(O)CH3
  264166.6999  0.0229 -5.2918 3  817.4655824  5951614045145 6 2    5144 7 2      C-13-H3C(O)CH3
  264171.7117  0.0536 -5.8239 3  672.2060364  5951614044544 1 3    4543 3 3      C-13-H3C(O)CH3
  264173.9885  0.0267 -6.9619 3  576.7537744  595161404462621 0    452916 0      C-13-H3C(O)CH3
  264178.6056  0.1677 -6.3643 3 1412.9802564  595161404705021 4    704922 4      C-13-H3C(O)CH3
  264179.8353  0.0556 -5.8326 3 1073.5220484  595161404604713 3    604614 3      C-13-H3C(O)CH3
  264183.5655  0.1101 -5.8821 3 1304.8721A80  595161404674919 1    674820 1      C-13-H3C(O)CH3
  264187.0581  0.0043 -5.1350 3   32.9362100  59516140412 6 6 3    11 5 7 3      C-13-H3C(O)CH3
  264195.1491  0.3836 -7.0738 3 1829.8432660  595161404824537 4    824438 4      C-13-H3C(O)CH3
  264195.1979  0.3838 -7.0738 3 1829.8432660  595161404824537 3    824438 3      C-13-H3C(O)CH3
  264199.3599  0.0580 -5.8326 3 1073.5456484  595161404604713 4    604614 4      C-13-H3C(O)CH3
  264203.1156  0.3504 -6.7728 3 1829.8429D20  595161404824537 1    824438 1      C-13-H3C(O)CH3
  264206.4025  0.0230 -5.2916 3  817.4601824  5951614045145 7 1    5144 8 1      C-13-H3C(O)CH3
  264210.0033  0.0059 -5.1350 3   32.9362100  59516140412 6 6 4    11 5 7 4      C-13-H3C(O)CH3
  264212.0534  0.0068 -5.7301 3  187.1560424  595161404261710 0    261413 0      C-13-H3C(O)CH3
  264215.9478  0.1169 -5.8820 3 1304.8755A80  595161404674919 2    674820 2      C-13-H3C(O)CH3
  264216.5025  0.0554 -5.8240 3  672.2627364  5951614044544 1 4    4543 2 4      C-13-H3C(O)CH3
  264218.5103  0.0255 -6.8836 3  554.5065728  595161404452620 0    442915 0      C-13-H3C(O)CH3
  264223.0061  0.0296 -5.5926 3  817.4772412  5951614045145 7 3    5144 8 3      C-13-H3C(O)CH3
  264224.5488  0.0447 -5.5314 3 1073.4756968  595161404604714 2    604615 2      C-13-H3C(O)CH3
  264236.7632  0.3865 -6.7727 3 1829.8467D20  595161404824537 2    824438 2      C-13-H3C(O)CH3
  264244.7184  0.3509 -6.7726 3 1829.8464D20  595161404824537 0    824438 0      C-13-H3C(O)CH3
  264246.9913  0.2550 -6.2581 3 1525.7343B76  595161404735122 2    735023 2      C-13-H3C(O)CH3
  264250.0659  0.0247 -6.4500 3  378.1898600  595161404372215 0    362512 0      C-13-H3C(O)CH3
  264256.4881  0.0147 -6.0424 3   53.0057116  5951614041411 3 4    1310 4 4      C-13-H3C(O)CH3
  264258.4532  0.1091 -6.1831 3 1304.9616540  595161404674918 4    674819 4      C-13-H3C(O)CH3
  264258.7907  0.0038 -4.8182 3   34.5447200  59516140412 8 5 0    11 5 6 0      C-13-H3C(O)CH3
  264260.1931  0.3010 -6.2579 3 1525.6995B76  595161404735122 0    735023 0      C-13-H3C(O)CH3
  264262.9507  0.3010 -6.2579 3 1525.6994B76  595161404735123 0    735024 0      C-13-H3C(O)CH3
  264264.2116  0.0020 -5.8509 3   58.5089248  5951614041510 5 1    14 9 5 1      C-13-H3C(O)CH3
  264269.3638  0.0212 -5.2917 3  817.4808824  5951614045145 6 1    5144 7 1      C-13-H3C(O)CH3
  264286.8456  0.0298 -5.5927 3  817.4979412  5951614045145 6 4    5144 7 4      C-13-H3C(O)CH3
  264290.6940  0.0022 -5.9863 3   58.5042248  5951614041510 5 2    14 9 5 2      C-13-H3C(O)CH3
  264297.8795  0.0211 -5.9579 3  278.0021488  5951614043026 5 2    2927 3 2      C-13-H3C(O)CH3
  264306.0957  0.0216 -5.9576 3  277.9965488  5951614043026 4 1    2927 3 1      C-13-H3C(O)CH3
  264309.9233  0.0050 -4.8328 3   32.8799200  59516140412 6 6 2    11 5 7 2      C-13-H3C(O)CH3
  264311.4123  0.0432 -5.5313 3 1073.4732968  595161404604714 1    604615 1      C-13-H3C(O)CH3
  264311.9489  0.0467 -5.5313 3 1073.5066968  595161404604713 2    604614 2      C-13-H3C(O)CH3
  264319.8543  0.1254 -5.8819 3 1304.9117A80  595161404674918 1    674819 1      C-13-H3C(O)CH3
  264326.2655  0.0044 -6.2388 3   23.6311 84  59516140410 8 2 3     9 5 5 3      C-13-H3C(O)CH3
  264330.9588  0.0425 -5.5312 3 1073.4968968  595161404604713 1    604614 1      C-13-H3C(O)CH3
  264337.1735  0.0202 -5.9567 3  278.0142488  5951614043026 4 2    2927 2 2      C-13-H3C(O)CH3
  264351.8723  0.0129 -6.0459 3  145.4136188  5951614042315 8 3    2216 6 3      C-13-H3C(O)CH3
  264363.2530  0.1615 -6.3639 3 1413.0212564  595161404705020 3    704921 3      C-13-H3C(O)CH3
  264363.5520  0.1417 -6.3639 3 1413.0149564  595161404705021 3    704922 3      C-13-H3C(O)CH3
  264365.8933  0.0094 -5.8270 3  183.6326424  595161404261511 2    261214 2      C-13-H3C(O)CH3
  264373.8030  0.0049 -4.8329 3   32.8809200  59516140412 6 6 1    11 5 7 1      C-13-H3C(O)CH3
  264389.2889  0.0096 -5.4814 3  193.3956212  5951614042619 7 3    2520 5 3      C-13-H3C(O)CH3
  264396.7817  0.1151 -5.8817 3 1304.9115A80  595161404674918 2    674819 2      C-13-H3C(O)CH3
  264398.6431  0.1755 -6.0627 3 1412.9712B28  595161404705021 1    704922 1      C-13-H3C(O)CH3
  264399.6118  0.0053 -6.0174 3  426.3669348  595161404431231 4    431232 4      C-13-H3C(O)CH3
  264399.6118  0.0053 -4.7379 3  426.3669348  595161404431331 4    431232 4      C-13-H3C(O)CH3
  264399.6118  0.0053 -6.0174 3  426.3669348  595161404431331 4    431132 4      C-13-H3C(O)CH3
  264399.6118  0.0053 -4.7379 3  426.3669348  595161404431231 4    431132 4      C-13-H3C(O)CH3
  264399.7860  0.0053 -4.8227 3  426.3669348  595161404431331 3    431232 3      C-13-H3C(O)CH3
  264399.7860  0.0053 -5.3761 3  426.3669348  595161404431231 3    431232 3      C-13-H3C(O)CH3
  264399.7860  0.0053 -4.8227 3  426.3669348  595161404431231 3    431132 3      C-13-H3C(O)CH3
  264399.7860  0.0053 -5.3761 3  426.3669348  595161404431331 3    431132 3      C-13-H3C(O)CH3
  264399.8504  0.0218 -6.2594 3  277.9422244  5951614043026 5 4    2927 3 4      C-13-H3C(O)CH3
  264414.6254  0.0085 -5.8255 3  183.6402424  595161404261511 0    261214 0      C-13-H3C(O)CH3
  264415.9229  0.0052 -4.7570 3  426.3949696  595161404431331 2    431132 2      C-13-H3C(O)CH3
  264415.9229  0.0052 -4.7570 3  426.3949696  595161404431231 2    431232 2      C-13-H3C(O)CH3
  264416.0120  0.0052 -4.6778 3  426.3949696 -595161404431231 2    431132 2      C-13-H3C(O)CH3
  264416.0120  0.0052 -4.6778 3  426.3949696 -595161404431331 2    431232 2      C-13-H3C(O)CH3
  264418.6983  0.0053 -4.7656 3  426.3958696 -595161404431231 1    431132 1      C-13-H3C(O)CH3
  264418.6983  0.0053 -4.6708 3  426.3958696 -595161404431331 1    431132 1      C-13-H3C(O)CH3
  264418.7325  0.0053 -4.6708 3  426.3958696  595161404431231 1    431232 1      C-13-H3C(O)CH3
  264418.7325  0.0053 -4.7656 3  426.3958696  595161404431331 1    431232 1      C-13-H3C(O)CH3
  264433.2656  0.0062 -6.1671 3  156.7686196  595161404241510 4    241213 4      C-13-H3C(O)CH3
  264434.8517  0.0042 -4.4531 3  426.4238696  595161404431331 0    431132 0      C-13-H3C(O)CH3
  264434.8517  0.0042 -4.4343 3  426.4238696  595161404431231 0    431232 0      C-13-H3C(O)CH3
  264434.8517  0.0042 -5.4854 3  426.4238696  595161404431331 0    431232 0      C-13-H3C(O)CH3
  264434.8517  0.0042 -5.7667 3  426.4238696  595161404431231 0    431132 0      C-13-H3C(O)CH3
  264438.1686  0.0215 -6.2582 3  277.9544244  5951614043026 4 3    2927 2 3      C-13-H3C(O)CH3
  264440.6605  0.0182 -5.3432 3  131.9354180  5951614042214 8 4    2115 7 4      C-13-H3C(O)CH3
  264442.2819  0.0107 -5.4667 3  193.3501212  5951614042619 8 4    2520 6 4      C-13-H3C(O)CH3
  264443.1940  0.0402 -5.5309 3 1073.4578968  595161404604713 0    604614 0      C-13-H3C(O)CH3
  264443.1941  0.0402 -5.5309 3 1073.4578968  595161404604714 0    604615 0      C-13-H3C(O)CH3
  264448.5857  0.0272 -6.4749 3  378.1645600  595161404372215 1    362512 1      C-13-H3C(O)CH3
  264458.0540  0.1292 -5.8814 3 1304.8618A80  595161404674918 0    674819 0      C-13-H3C(O)CH3
  264458.1075  0.1292 -5.8814 3 1304.8618A80  595161404674919 0    674820 0      C-13-H3C(O)CH3
  264467.6335  0.0054 -6.1668 3  156.7685196  595161404241510 3    241213 3      C-13-H3C(O)CH3
  264470.9439  0.3533 -7.0730 3 1829.8448660  595161404824637 4    824538 4      C-13-H3C(O)CH3
  264470.9953  0.3529 -7.0730 3 1829.8448660  595161404824637 3    824538 3      C-13-H3C(O)CH3
  264482.7480  0.3459 -6.7719 3 1829.8445D20  595161404824637 1    824538 1      C-13-H3C(O)CH3
  264485.2995  0.0048 -4.8317 3   32.8247200 -59516140412 6 6 0    11 5 7 0      C-13-H3C(O)CH3
  264488.7495  0.1768 -6.0625 3 1412.9710B28  595161404705021 2    704922 2      C-13-H3C(O)CH3
  264491.7231  0.0017 -4.2880 3   91.4008156 -59516140419 910 3    1810 9 3      C-13-H3C(O)CH3
  264497.7037  0.3544 -6.7719 3 1829.8481D20  595161404824637 2    824538 2      C-13-H3C(O)CH3
  264499.5473  0.0019 -4.2879 3   91.4006156 -59516140419 910 4    1810 9 4      C-13-H3C(O)CH3
  264509.2884  0.3463 -6.7718 3 1829.8479D20  595161404824637 0    824538 0      C-13-H3C(O)CH3
  264518.8288  0.0365 -5.7756 3  651.1511712  5951614044444 0 0    4443 2 0      C-13-H3C(O)CH3
  264518.8288  0.0365 -5.7756 3  651.1511712  5951614044444 1 0    4443 1 0      C-13-H3C(O)CH3
  264539.7333  0.0279 -6.9114 3  193.3906212  5951614042619 7 3    2520 6 3      C-13-H3C(O)CH3
  264547.6881  0.1505 -6.3636 3 1413.0560564  595161404705020 4    704921 4      C-13-H3C(O)CH3
  264563.7186  0.0437 -5.7752 3  651.1200712  5951614044444 1 2    4443 2 2      C-13-H3C(O)CH3
  264565.5001  0.0216 -7.0377 3  647.7740404  595161404502228 4    492525 4      C-13-H3C(O)CH3
  264565.5941  0.0215 -7.0377 3  647.7740404  595161404502228 3    492525 3      C-13-H3C(O)CH3
  264570.2374  0.0093 -5.7427 3  276.2186520  595161404321715 2    312012 2      C-13-H3C(O)CH3
  264570.5759  0.0216 -7.0377 3  647.7738404  595161404502328 4    492425 4      C-13-H3C(O)CH3
  264570.6905  0.0215 -7.0377 3  647.7739404  595161404502328 3    492425 3      C-13-H3C(O)CH3
  264571.4699  0.0056 -5.8638 3  156.7689392  595161404241510 1    241213 1      C-13-H3C(O)CH3
  264572.4646  0.0175 -6.7379 3  647.7869808  595161404502228 1    492525 1      C-13-H3C(O)CH3
  264574.7606  0.0018 -3.9877 3   91.3751312 -59516140419 910 2    1810 9 2      C-13-H3C(O)CH3
  264577.1565  0.0175 -6.7379 3  647.7867808  595161404502328 1    492425 1      C-13-H3C(O)CH3
  264580.6526  0.0056 -5.8632 3  156.7656392  595161404241510 2    241213 2      C-13-H3C(O)CH3
  264582.9516  0.1934 -6.0624 3 1413.0123B28  595161404705020 1    704921 1      C-13-H3C(O)CH3
  264588.5731  0.0018 -3.9871 3   91.3779312 -59516140419 910 1    1810 9 1      C-13-H3C(O)CH3
  264590.7480  0.0203 -6.7365 3  647.7853808  595161404502228 2    492525 2      C-13-H3C(O)CH3
  264595.5112  0.0204 -6.7365 3  647.7852808  595161404502328 2    492425 2      C-13-H3C(O)CH3
  264597.5321  0.0142 -6.7379 3  647.7982808  595161404502228 0    492525 0      C-13-H3C(O)CH3
  264601.9188  0.0142 -6.7379 3  647.7980808  595161404502328 0    492425 0      C-13-H3C(O)CH3
  264612.2984  0.0114 -6.1308 3  183.6285212  595161404261511 3    261214 3      C-13-H3C(O)CH3
  264628.5943  0.0135 -6.1308 3  183.6285212  595161404261511 4    261214 4      C-13-H3C(O)CH3
  264629.3833  0.0101 -6.0454 3  276.1987260  595161404321715 3    312012 3      C-13-H3C(O)CH3
  264629.9108  0.0178 -5.4060 3  469.5447664  595161404412615 0    412318 0      C-13-H3C(O)CH3
  264634.6667  0.0093 -6.0453 3  276.1986260  595161404321715 4    312012 4      C-13-H3C(O)CH3
  264665.3049  0.0096 -5.8284 3  183.6361424  595161404261511 1    261214 1      C-13-H3C(O)CH3
  264667.7212  0.0017 -3.9879 3   91.3523312 -59516140419 910 0    1810 9 0      C-13-H3C(O)CH3
  264673.3683  0.1729 -6.0622 3 1413.0058B28  595161404705020 2    704921 2      C-13-H3C(O)CH3
  264679.4618  0.0210 -6.2577 3  277.9356244  5951614043026 5 3    2927 3 3      C-13-H3C(O)CH3
  264699.4072  0.0176 -6.6282 3  153.8719188  5951614042318 6 4    2315 9 4      C-13-H3C(O)CH3
  264700.2004  0.0057 -5.8610 3  156.7659392  595161404241510 0    241213 0      C-13-H3C(O)CH3
  264708.4862  0.2028 -6.0619 3 1412.9622B28  595161404705020 0    704921 0      C-13-H3C(O)CH3
  264708.8972  0.2028 -6.0619 3 1412.9622B28  595161404705021 0    704922 0      C-13-H3C(O)CH3
  264715.3311  0.0090 -5.7412 3  276.2390520  595161404321715 0    312012 0      C-13-H3C(O)CH3
  264718.3115  0.0246 -6.2564 3  277.9476244  5951614043026 4 4    2927 2 4      C-13-H3C(O)CH3
  264772.0517  0.0094 -5.7429 3  276.2192520  595161404321715 1    312012 1      C-13-H3C(O)CH3
  264788.4944  0.0423 -5.7749 3  651.1467712  5951614044444 1 1    4443 2 1      C-13-H3C(O)CH3
  264798.2889  0.0297 -5.2652 3 1010.7424A00  595161404622933 0    622834 0      C-13-H3C(O)CH3
  264798.3006  0.0297 -5.2652 3 1010.7424A00  595161404623033 0    622934 0      C-13-H3C(O)CH3
  264799.4315  0.0178 -5.4061 3  469.5226664  595161404412615 1    412318 1      C-13-H3C(O)CH3
  264805.2920  0.0312 -5.2651 3 1010.7549A00  595161404622933 1    622834 1      C-13-H3C(O)CH3
  264805.3062  0.0312 -5.2651 3 1010.7549A00  595161404623033 1    622934 1      C-13-H3C(O)CH3
  264809.5565  0.0365 -5.2651 3 1010.7561A00  595161404622933 2    622834 2      C-13-H3C(O)CH3
  264809.5695  0.0365 -5.2651 3 1010.7561A00  595161404623033 2    622934 2      C-13-H3C(O)CH3
  264814.7781  0.0434 -5.7751 3  651.2094712  5951614044444 0 1    4443 1 1      C-13-H3C(O)CH3
  264816.6020  0.0374 -5.5661 3 1010.7685500  595161404622933 3    622834 3      C-13-H3C(O)CH3
  264816.6177  0.0374 -5.5661 3 1010.7685500  595161404623033 3    622934 3      C-13-H3C(O)CH3
  264816.6721  0.0375 -5.5661 3 1010.7686500  595161404622933 4    622834 4      C-13-H3C(O)CH3
  264816.6877  0.0375 -5.5661 3 1010.7686500  595161404623033 4    622934 4      C-13-H3C(O)CH3
  264833.5513  0.0584 -6.0756 3  651.1156356  5951614044444 1 4    4443 2 4      C-13-H3C(O)CH3
  264859.9464  0.0602 -6.0758 3  651.1783356  5951614044444 1 3    4443 1 3      C-13-H3C(O)CH3
  264867.9673  0.0520 -5.7749 3  651.1816712  5951614044444 0 2    4443 1 2      C-13-H3C(O)CH3
  264873.8337  0.0121 -5.0986 3  145.3911376  5951614042315 8 2    2216 7 2      C-13-H3C(O)CH3
  264911.3731  0.0141 -5.2389 3  145.3950188  5951614042315 8 3    2216 7 3      C-13-H3C(O)CH3
  264933.6567  0.0052 -6.4105 3  400.4742340  595161404421131 4    421132 4      C-13-H3C(O)CH3
  264933.6567  0.0052 -6.4105 3  400.4742340  595161404421231 4    421032 4      C-13-H3C(O)CH3
  264933.6567  0.0052 -4.7037 3  400.4742340  595161404421231 4    421132 4      C-13-H3C(O)CH3
  264933.6567  0.0052 -4.7037 3  400.4742340  595161404421131 4    421032 4      C-13-H3C(O)CH3
  264933.8727  0.0051 -4.6995 3  400.4742340  595161404421131 3    421132 3      C-13-H3C(O)CH3
  264933.8727  0.0051 -6.7074 3  400.4742340  595161404421131 3    421032 3      C-13-H3C(O)CH3
  264933.8727  0.0051 -4.6995 3  400.4742340  595161404421231 3    421032 3      C-13-H3C(O)CH3
  264933.8727  0.0051 -6.7074 3  400.4742340  595161404421231 3    421132 3      C-13-H3C(O)CH3
  264937.8965  0.0782 -5.9624 3 1234.8718548  595161404683434 4    683335 4      C-13-H3C(O)CH3
  264937.9020  0.0782 -5.9624 3 1234.8718548  595161404683434 3    683335 3      C-13-H3C(O)CH3
  264938.5648  0.0782 -5.9624 3 1234.8718548  595161404683534 4    683435 4      C-13-H3C(O)CH3
  264938.5725  0.0781 -5.9624 3 1234.8718548  595161404683534 3    683435 3      C-13-H3C(O)CH3
  264956.3890  0.0188 -5.4063 3  469.5129664  595161404412615 2    412318 2      C-13-H3C(O)CH3
  264957.8240  0.0736 -5.6613 3 1234.8533A96  595161404683434 1    683335 1      C-13-H3C(O)CH3
  264958.4616  0.0737 -5.6613 3 1234.8533A96  595161404683534 1    683435 1      C-13-H3C(O)CH3
  264964.4211  0.0778 -5.6613 3 1234.8558A96  595161404683434 2    683335 2      C-13-H3C(O)CH3
  264965.0039  0.0778 -5.6613 3 1234.8558A96  595161404683534 2    683435 2      C-13-H3C(O)CH3
  264972.8417  0.0052 -4.4219 3  400.5003680  595161404421231 2    421032 2      C-13-H3C(O)CH3
  264972.8417  0.0052 -5.5005 3  400.5003680  595161404421131 2    421132 2      C-13-H3C(O)CH3
  264972.9123  0.0052 -5.6007 3  400.5003680 -595161404421131 2    421032 2      C-13-H3C(O)CH3
  264972.9123  0.0052 -4.4294 3  400.5003680 -595161404421231 2    421132 2      C-13-H3C(O)CH3
  264975.7159  0.0053 -4.9521 3  400.5012680  595161404421131 1    421132 1      C-13-H3C(O)CH3
  264975.7159  0.0053 -4.5348 3  400.5012680  595161404421131 1    421032 1      C-13-H3C(O)CH3
  264975.7159  0.0053 -4.9521 3  400.5012680  595161404421231 1    421032 1      C-13-H3C(O)CH3
  264975.7159  0.0053 -4.5348 3  400.5012680  595161404421231 1    421132 1      C-13-H3C(O)CH3
  264984.3366  0.0734 -5.6612 3 1234.8374A96  595161404683434 0    683335 0      C-13-H3C(O)CH3
  264984.8905  0.0734 -5.6612 3 1234.8374A96  595161404683534 0    683435 0      C-13-H3C(O)CH3
  265012.3167  0.0088 -4.8196 3  740.7641872  595161404542332 0    542233 0      C-13-H3C(O)CH3
  265012.3167  0.0088 -4.8196 3  740.7641872  595161404542232 0    542133 0      C-13-H3C(O)CH3
  265014.6303  0.0043 -4.3942 3  400.5273680  595161404421231 0    421032 0      C-13-H3C(O)CH3
  265014.6303  0.0043 -4.3946 3  400.5273680  595161404421131 0    421132 0      C-13-H3C(O)CH3
  265065.9141  0.0101 -4.8192 3  740.7564872  595161404542232 1    542133 1      C-13-H3C(O)CH3
  265065.9142  0.0101 -4.8192 3  740.7564872  595161404542332 1    542233 1      C-13-H3C(O)CH3
  265066.7887  0.0128 -4.8192 3  740.7561872  595161404542332 2    542233 2      C-13-H3C(O)CH3
  265066.7887  0.0128 -4.8192 3  740.7561872  595161404542232 2    542133 2      C-13-H3C(O)CH3
  265096.2341  0.0090 -6.3081 3  362.8741300  595161404371819 3    362116 3      C-13-H3C(O)CH3
  265097.5618  0.0092 -6.3081 3  362.8740300  595161404371819 4    362116 4      C-13-H3C(O)CH3
  265099.9003  0.0170 -5.7066 3  469.4907332  595161404412615 3    412318 3      C-13-H3C(O)CH3
  265120.4706  0.0127 -5.1200 3  740.7483436  595161404542232 3    542133 3      C-13-H3C(O)CH3
  265120.4706  0.0127 -5.1200 3  740.7483436  595161404542332 3    542233 3      C-13-H3C(O)CH3
  265120.5951  0.0128 -5.1199 3  740.7483436  595161404542232 4    542133 4      C-13-H3C(O)CH3
  265120.5951  0.0128 -5.1199 3  740.7483436  595161404542332 4    542233 4      C-13-H3C(O)CH3
  265129.6084  0.0092 -6.0075 3  362.9017600  595161404371819 1    362116 1      C-13-H3C(O)CH3
  265136.2880  0.0058 -5.9273 3   23.5113168  59516140410 8 2 0     9 5 5 0      C-13-H3C(O)CH3
  265139.1180  0.0653 -6.0752 3  651.1771356  5951614044444 0 3    4443 2 3      C-13-H3C(O)CH3
  265148.7085  0.0178 -5.7083 3  469.4908332  595161404412615 4    412318 4      C-13-H3C(O)CH3
  265151.0246  0.0097 -6.0787 3   25.1603168  59516140410 9 2 0     9 6 3 0      C-13-H3C(O)CH3
  265167.0204  0.0666 -6.0755 3  651.2399356  5951614044444 0 4    4443 1 4      C-13-H3C(O)CH3
  265186.9445  0.0093 -6.0049 3  362.8958600  595161404371819 2    362116 2      C-13-H3C(O)CH3
  265219.7065  0.0083 -6.0054 3  362.9233600  595161404371819 0    362116 0      C-13-H3C(O)CH3
  265248.7219  0.8551 -7.0268 3 1940.8680D36  595161404835529 1    835430 1      C-13-H3C(O)CH3
  265270.2069  0.0166 -5.6653 3  253.9711472  5951614042924 6 0    2825 3 0      C-13-H3C(O)CH3
  265270.2325  0.0166 -5.6653 3  253.9711472  5951614042924 5 0    2825 4 0      C-13-H3C(O)CH3
  265316.4584  0.0230 -5.3029 3  793.4539808  5951614045045 6 2    5044 7 2      C-13-H3C(O)CH3
  265329.6498  0.4295 -6.9190 3 1726.8054628  595161404785326 4    785227 4      C-13-H3C(O)CH3
  265330.6241  0.1384 -6.3286 3 1435.5428588  595161404733835 4    733736 4      C-13-H3C(O)CH3
  265330.6726  0.1384 -6.3286 3 1435.5428588  595161404733835 3    733736 3      C-13-H3C(O)CH3
  265338.4940  0.1378 -6.3286 3 1435.5429588  595161404733935 4    733836 4      C-13-H3C(O)CH3
  265338.5513  0.1377 -6.3286 3 1435.5428588  595161404733935 3    733836 3      C-13-H3C(O)CH3
  265355.7395  0.0063 -6.1054 3   23.5706168  59516140410 8 2 2     9 5 5 2      C-13-H3C(O)CH3
  265360.8214  0.0062 -6.1173 3   23.5714168  59516140410 8 2 1     9 5 5 1      C-13-H3C(O)CH3
  265361.6984  0.1360 -6.0274 3 1435.5279B76  595161404733835 1    733736 1      C-13-H3C(O)CH3
  265369.4299  0.1362 -6.0274 3 1435.5279B76  595161404733935 1    733836 1      C-13-H3C(O)CH3
  265371.3533  0.1397 -6.0274 3 1435.5313B76  595161404733835 2    733736 2      C-13-H3C(O)CH3
  265378.4479  0.1391 -6.0274 3 1435.5313B76  595161404733935 2    733836 2      C-13-H3C(O)CH3
  265388.8577  0.0080 -6.0792 3  291.9145268  595161404331716 3    322013 3      C-13-H3C(O)CH3
  265391.4072  0.0075 -6.0791 3  291.9144268  595161404331716 4    322013 4      C-13-H3C(O)CH3
  265401.6662  0.0124 -5.1310 3  145.3796376  5951614042315 8 1    2216 7 1      C-13-H3C(O)CH3
  265402.3280  0.1366 -6.0273 3 1435.5164B76  595161404733835 0    733736 0      C-13-H3C(O)CH3
  265407.9659  0.0314 -5.6036 3  793.4631404  5951614045045 6 4    5044 7 4      C-13-H3C(O)CH3
  265409.2869  0.1368 -6.0273 3 1435.5164B76  595161404733935 0    733836 0      C-13-H3C(O)CH3
  265422.9147  0.7664 -7.0140 3 1940.8644D36  595161404835528 0    835429 0      C-13-H3C(O)CH3
  265423.3994  0.0211 -5.3028 3  793.4482808  5951614045045 6 0    5044 6 0      C-13-H3C(O)CH3
  265423.3994  0.0211 -5.3028 3  793.4482808  5951614045045 5 0    5044 7 0      C-13-H3C(O)CH3
  265427.9252  0.0053 -5.8990 3  375.1691332  595161404411031 4    411032 4      C-13-H3C(O)CH3
  265427.9252  0.0053 -4.7066 3  375.1691332  595161404411131 4    411032 4      C-13-H3C(O)CH3
  265427.9252  0.0053 -5.8990 3  375.1691332  595161404411131 4    41 932 4      C-13-H3C(O)CH3
  265427.9252  0.0053 -4.7066 3  375.1691332  595161404411031 4    41 932 4      C-13-H3C(O)CH3
  265428.1769  0.0051 -4.7305 3  375.1691332  595161404411031 3    411032 3      C-13-H3C(O)CH3
  265428.1769  0.0051 -5.6354 3  375.1691332  595161404411131 3    411032 3      C-13-H3C(O)CH3
  265428.1769  0.0051 -4.7305 3  375.1691332  595161404411131 3    41 932 3      C-13-H3C(O)CH3
  265428.1769  0.0051 -5.6354 3  375.1691332  595161404411031 3    41 932 3      C-13-H3C(O)CH3
  265430.5031  0.0081 -5.7758 3  291.9336536  595161404331716 2    322013 2      C-13-H3C(O)CH3
  265434.9023  0.4269 -6.9237 3 1726.8328628  595161404785326 3    785227 3      C-13-H3C(O)CH3
  265448.3648  0.4998 -6.6178 3 1726.8155C56  595161404785326 1    785227 1      C-13-H3C(O)CH3
  265453.4487  0.7713 -7.0222 3 1940.8614D36  595161404835528 2    835429 2      C-13-H3C(O)CH3
  265468.9557  0.0289 -5.6037 3  793.4901404  5951614045045 5 3    5044 6 3      C-13-H3C(O)CH3
  265472.5427  0.0162 -5.6653 3  253.9059472  5951614042924 6 1    2825 4 1      C-13-H3C(O)CH3
  265480.2865  0.7372 -7.0220 3 1940.8379D36  595161404835529 2    835430 2      C-13-H3C(O)CH3
  265493.4623  0.0230 -5.3027 3  793.4662808  5951614045045 5 2    5044 6 2      C-13-H3C(O)CH3
  265493.6758  0.0051 -4.3978 3  375.1923664 -595161404411031 2    411032 2      C-13-H3C(O)CH3
  265493.6758  0.0051 -5.7348 3  375.1923664 -595161404411131 2    411032 2      C-13-H3C(O)CH3
  265493.6759  0.0051 -4.3978 3  375.1923664  595161404411131 2    41 932 2      C-13-H3C(O)CH3
  265493.6759  0.0051 -5.7348 3  375.1923664  595161404411031 2    41 932 2      C-13-H3C(O)CH3
  265496.5522  0.0052 -4.3818 3  375.1931664  595161404411031 1    411032 1      C-13-H3C(O)CH3
  265496.5522  0.0052 -4.3818 3  375.1931664  595161404411131 1    41 932 1      C-13-H3C(O)CH3
  265496.6428  0.0052 -6.4776 3  375.1931664 -595161404411031 1    41 932 1      C-13-H3C(O)CH3
  265496.6428  0.0052 -6.4776 3  375.1931664 -595161404411131 1    411032 1      C-13-H3C(O)CH3
  265504.0772  0.0080 -5.7774 3  291.9369536  595161404331716 1    322013 1      C-13-H3C(O)CH3
  265513.6865  0.7349 -7.0263 3 1940.8882D36  595161404835528 1    835429 1      C-13-H3C(O)CH3
  265515.7169  0.0233 -5.3025 3  793.4574808  5951614045045 6 1    5044 7 1      C-13-H3C(O)CH3
  265519.1476  0.0100 -6.3436 3   25.2218168  59516140410 9 1 1     9 6 3 1      C-13-H3C(O)CH3
  265547.3631  0.0079 -5.7751 3  291.9559536  595161404331716 0    322013 0      C-13-H3C(O)CH3
  265561.9511  0.0045 -4.3807 3  375.2162664  595161404411131 0    411032 0      C-13-H3C(O)CH3
  265561.9511  0.0045 -6.5925 3  375.2162664  595161404411031 0    411032 0      C-13-H3C(O)CH3
  265561.9511  0.0045 -6.5925 3  375.2162664  595161404411131 0    41 932 0      C-13-H3C(O)CH3
  265562.0805  0.0045 -4.3807 3  375.2162664 -595161404411031 0    41 932 0      C-13-H3C(O)CH3
  265576.7239  0.0216 -5.3026 3  793.4844808  5951614045045 5 1    5044 6 1      C-13-H3C(O)CH3
  265585.0355  0.0304 -5.6034 3  793.4753404  5951614045045 6 3    5044 7 3      C-13-H3C(O)CH3
  265587.1754  0.0155 -5.6633 3  253.9360472  5951614042924 5 2    2825 3 2      C-13-H3C(O)CH3
  265605.5273  0.3729 -6.9233 3 1726.8372628  595161404785325 3    785226 3      C-13-H3C(O)CH3
  265613.4502  0.7596 -7.0134 3 1940.8570D36  595161404835529 0    835430 0      C-13-H3C(O)CH3
  265621.8934  0.0401 -5.6657 3  927.2171444  5951614045546 9 4    554510 4      C-13-H3C(O)CH3
  265626.4803  0.0016 -4.1638 3   97.4474164 -59516140420 812 4    19 911 4      C-13-H3C(O)CH3
  265626.4803  0.0015 -4.1638 3   97.4473164 -59516140420 812 3    19 911 3      C-13-H3C(O)CH3
  265631.4822  0.0101 -6.3507 3   25.2195168  59516140410 9 1 2     9 6 3 2      C-13-H3C(O)CH3
  265647.1402  0.0312 -5.6035 3  793.5023404  5951614045045 5 4    5044 6 4      C-13-H3C(O)CH3
  265653.6115  0.0297 -5.3646 3  927.1929888  5951614045546 9 2    554510 2      C-13-H3C(O)CH3
  265657.3201  0.0165 -5.6638 3  253.9172472  5951614042924 5 1    2825 3 1      C-13-H3C(O)CH3
  265658.2788  0.4563 -6.6173 3 1726.7982C56  595161404785326 2    785227 2      C-13-H3C(O)CH3
  265665.2730  0.0361 -5.6657 3  927.2158444  5951614045546 9 3    554510 3      C-13-H3C(O)CH3
  265665.9607  0.0371 -5.6657 3  927.2011444  595161404554610 3    554511 3      C-13-H3C(O)CH3
  265675.0303  0.0166 -5.6639 3  253.9127472  5951614042924 6 2    2825 4 2      C-13-H3C(O)CH3
  265683.6442  0.0016 -4.1636 3   97.4458164 -59516140420 912 4    19 811 4      C-13-H3C(O)CH3
  265684.0592  0.0015 -4.1636 3   97.4457164 -59516140420 912 3    19 811 3      C-13-H3C(O)CH3
  265698.0300  0.0288 -5.3646 3  927.1770888  595161404554610 2    554511 2      C-13-H3C(O)CH3
  265708.0442  0.0260 -6.5325 3  209.8799220  5951614042720 8 4    271710 4      C-13-H3C(O)CH3
  265709.7705  0.0371 -5.6657 3  927.1998444  595161404554610 4    554511 4      C-13-H3C(O)CH3
  265710.4481  0.3892 -6.9183 3 1726.8646628  595161404785325 4    785226 4      C-13-H3C(O)CH3
  265715.6153  0.0017 -3.8627 3   97.4254328 -59516140420 812 1    19 911 1      C-13-H3C(O)CH3
  265719.2419  0.0739 -5.9731 3 1170.8357508  595161404634816 4    634717 4      C-13-H3C(O)CH3
  265719.7600  0.0017 -3.8629 3   97.4233328 -59516140420 812 2    19 911 2      C-13-H3C(O)CH3
  265725.1377  0.4659 -6.6173 3 1726.8472C56  595161404785325 1    785226 1      C-13-H3C(O)CH3
  265761.3740  0.4514 -6.6172 3 1726.8257C56  595161404785325 2    785226 2      C-13-H3C(O)CH3
  265764.3305  0.5080 -6.6170 3 1726.8088C56  595161404785325 0    785226 0      C-13-H3C(O)CH3
  265773.4469  0.0017 -3.8625 3   97.4238328 -59516140420 912 1    19 811 1      C-13-H3C(O)CH3
  265774.6623  0.0297 -5.3644 3  927.1851888  595161404554610 1    554510 1      C-13-H3C(O)CH3
  265776.1560  0.0746 -5.9730 3 1170.8690508  595161404634816 3    634717 3      C-13-H3C(O)CH3
  265779.5644  0.0017 -3.8627 3   97.4217328 -59516140420 912 2    19 811 2      C-13-H3C(O)CH3
  265780.6974  0.0126 -6.3577 3  153.8768376  5951614042318 6 1    2315 9 1      C-13-H3C(O)CH3
  265785.9939  0.0171 -5.9643 3  253.8708236  5951614042924 5 3    2825 3 3      C-13-H3C(O)CH3
  265789.8118  0.5073 -6.6169 3 1726.8078C56  595161404785326 0    785227 0      C-13-H3C(O)CH3
  265805.7279  0.0244 -5.3643 3  927.1609888  595161404554610 0    554510 0      C-13-H3C(O)CH3
  265805.7279  0.0244 -5.3643 3  927.1609888  5951614045546 9 0    554511 0      C-13-H3C(O)CH3
  265808.6893  0.0016 -3.8629 3   97.4015328 -59516140420 812 0    19 911 0      C-13-H3C(O)CH3
  265818.1583  0.0284 -5.3644 3  927.1838888  5951614045546 9 1    554511 1      C-13-H3C(O)CH3
  265835.7199  0.0061 -6.4910 3   23.6308 84  59516140410 8 2 4     9 5 5 4      C-13-H3C(O)CH3
  265849.8922  0.0727 -5.9729 3 1170.8717508  595161404634815 3    634716 3      C-13-H3C(O)CH3
  265869.0355  0.0016 -3.8626 3   97.3998328 -59516140420 912 0    19 811 0      C-13-H3C(O)CH3
  265873.5569  0.0177 -5.9649 3  253.8477236  5951614042924 6 4    2825 4 4      C-13-H3C(O)CH3
  265884.4367  0.0055 -4.6695 3  350.4530324  595161404401031 4    40 832 4      C-13-H3C(O)CH3
  265884.4367  0.0055 -4.6695 3  350.4530324  59516140440 931 4    40 932 4      C-13-H3C(O)CH3
  265884.5339  0.0052 -5.5969 3  350.4530324 -595161404401031 3    40 932 3      C-13-H3C(O)CH3
  265884.5339  0.0052 -5.5969 3  350.4530324 -59516140440 931 3    40 832 3      C-13-H3C(O)CH3
  265884.7137  0.0052 -4.7241 3  350.4530324  595161404401031 3    40 832 3      C-13-H3C(O)CH3
  265884.7137  0.0052 -4.7241 3  350.4530324  59516140440 931 3    40 932 3      C-13-H3C(O)CH3
  265906.3793  0.0753 -5.9727 3 1170.9051508  595161404634815 4    634716 4      C-13-H3C(O)CH3
  265915.2192  0.0654 -5.6716 3 1170.8244A16  595161404634816 2    634717 2      C-13-H3C(O)CH3
  265923.4808  0.0103 -6.6113 3   25.2832 84  59516140410 9 1 4     9 6 3 4      C-13-H3C(O)CH3
  265962.1759  0.0602 -5.6715 3 1170.8201A16  595161404634816 1    634717 1      C-13-H3C(O)CH3
  265971.7268  0.0196 -5.9628 3  253.8820236  5951614042924 5 4    2825 3 4      C-13-H3C(O)CH3
  265980.5776  0.0050 -6.4409 3  350.4719648  59516140440 931 2    40 932 2      C-13-H3C(O)CH3
  265980.5776  0.0050 -6.4409 3  350.4719648  595161404401031 2    40 832 2      C-13-H3C(O)CH3
  265980.5877  0.0050 -4.3717 3  350.4719648 -59516140440 931 2    40 832 2      C-13-H3C(O)CH3
  265980.5877  0.0050 -4.3717 3  350.4719648 -595161404401031 2    40 932 2      C-13-H3C(O)CH3
  265983.3918  0.0051 -5.4962 3  350.4727648  59516140440 931 1    40 932 1      C-13-H3C(O)CH3
  265983.3918  0.0051 -5.4962 3  350.4727648  595161404401031 1    40 832 1      C-13-H3C(O)CH3
  265983.4540  0.0051 -4.4017 3  350.4727648 -59516140440 931 1    40 832 1      C-13-H3C(O)CH3
  265983.4540  0.0051 -4.4017 3  350.4727648 -595161404401031 1    40 932 1      C-13-H3C(O)CH3
  266018.7944  0.0638 -5.6714 3 1170.8534A16  595161404634815 1    634716 1      C-13-H3C(O)CH3
  266025.8499  0.0172 -6.6771 3  153.8761188  5951614042318 6 3    2315 9 3      C-13-H3C(O)CH3
  266036.5629  0.0137 -5.5637 3  300.7874536  595161404332013 2    331716 2      C-13-H3C(O)CH3
  266043.4364  0.0080 -4.7681 3  708.4701856  595161404532132 0    532033 0      C-13-H3C(O)CH3
  266043.4364  0.0080 -4.7681 3  708.4701856  595161404532232 0    532133 0      C-13-H3C(O)CH3
  266045.3740  0.0665 -5.6713 3 1170.8605A16  595161404634815 2    634716 2      C-13-H3C(O)CH3
  266058.2773  0.0165 -5.9634 3  253.8588236  5951614042924 6 3    2825 4 3      C-13-H3C(O)CH3
  266079.1000  0.0046 -4.3720 3  350.4916648  595161404401031 0    40 932 0      C-13-H3C(O)CH3
  266079.1000  0.0046 -6.3723 3  350.4916648  59516140440 931 0    40 932 0      C-13-H3C(O)CH3
  266079.1000  0.0046 -6.3723 3  350.4916648  595161404401031 0    40 832 0      C-13-H3C(O)CH3
  266079.1001  0.0046 -4.3720 3  350.4916648 -59516140440 931 0    40 832 0      C-13-H3C(O)CH3
  266100.3805  0.0091 -4.7680 3  708.4589856  595161404532132 1    532033 1      C-13-H3C(O)CH3
  266100.3805  0.0091 -4.7680 3  708.4589856  595161404532232 1    532133 1      C-13-H3C(O)CH3
  266100.8148  0.0113 -4.7678 3  708.4585856  595161404532132 2    532033 2      C-13-H3C(O)CH3
  266100.8148  0.0113 -4.7678 3  708.4585856  595161404532232 2    532133 2      C-13-H3C(O)CH3
  266113.5466  0.0116 -5.5644 3  300.8136536  595161404332013 0    331716 0      C-13-H3C(O)CH3
  266157.5224  0.0642 -5.6710 3 1170.8089A16  595161404634815 0    634716 0      C-13-H3C(O)CH3
  266157.5235  0.0642 -5.6710 3 1170.8089A16  595161404634816 0    634717 0      C-13-H3C(O)CH3
  266157.8460  0.0111 -5.0686 3  708.4473428  595161404532232 3    532133 3      C-13-H3C(O)CH3
  266157.8460  0.0111 -5.0686 3  708.4473428  595161404532132 3    532033 3      C-13-H3C(O)CH3
  266157.9646  0.0112 -5.0686 3  708.4472428  595161404532132 4    532033 4      C-13-H3C(O)CH3
  266157.9646  0.0112 -5.0686 3  708.4472428  595161404532232 4    532133 4      C-13-H3C(O)CH3
  266219.4576  0.0093 -6.1541 3   30.3606 92  59516140411 9 3 4    10 6 4 4      C-13-H3C(O)CH3
  266228.7212  0.0129 -6.3743 3  153.8764376  5951614042318 6 2    2315 9 2      C-13-H3C(O)CH3
  266233.5901  0.0491 -5.7979 3 1044.9807476  595161404594713 3    594614 3      C-13-H3C(O)CH3
  266237.6375  0.0497 -5.7980 3 1044.9607476  595161404594713 4    594614 4      C-13-H3C(O)CH3
  266266.5008  0.0172 -6.7579 3  153.8761188  5951614042318 5 3    2315 9 3      C-13-H3C(O)CH3
  266280.4556  0.0169 -5.8663 3  300.7670268  595161404332013 4    331716 4      C-13-H3C(O)CH3
  266284.7418  0.0553 -5.7978 3 1045.0104476  595161404594712 4    594613 4      C-13-H3C(O)CH3
  266288.8777  0.0516 -5.7979 3 1044.9904476  595161404594712 3    594613 3      C-13-H3C(O)CH3
  266293.3530  0.0164 -5.8664 3  300.7669268  595161404332013 3    331716 3      C-13-H3C(O)CH3
  266305.1075  0.0059 -4.7597 3  326.3269316  59516140439 931 4    39 732 4      C-13-H3C(O)CH3
  266305.1075  0.0059 -5.3773 3  326.3269316  59516140439 831 4    39 732 4      C-13-H3C(O)CH3
  266305.1075  0.0059 -4.7597 3  326.3269316  59516140439 831 4    39 832 4      C-13-H3C(O)CH3
  266305.1075  0.0059 -5.3773 3  326.3269316  59516140439 931 4    39 832 4      C-13-H3C(O)CH3
  266305.3945  0.0054 -4.6664 3  326.3269316  59516140439 831 3    39 832 3      C-13-H3C(O)CH3
  266305.3945  0.0054 -4.6664 3  326.3269316  59516140439 931 3    39 732 3      C-13-H3C(O)CH3
  266325.6427  0.0016 -4.0810 3  102.8792172 -59516140421 714 3    20 813 3      C-13-H3C(O)CH3
  266325.6427  0.0016 -4.0810 3  102.8792172 -59516140421 714 4    20 813 4      C-13-H3C(O)CH3
  266326.2874  0.0016 -4.0810 3  102.8791172 -59516140421 814 3    20 713 3      C-13-H3C(O)CH3
  266326.2874  0.0016 -4.0810 3  102.8792172 -59516140421 814 4    20 713 4      C-13-H3C(O)CH3
  266334.2982  0.0398 -5.4967 3 1044.9452952  595161404594713 2    594614 2      C-13-H3C(O)CH3
  266338.5786  0.0191 -5.5072 3  145.3508188  5951614042315 8 4    2216 7 4      C-13-H3C(O)CH3
  266338.6001  0.0248 -5.1985 3  973.8680984  595161404612833 0    612734 0      C-13-H3C(O)CH3
  266338.6039  0.0248 -5.1985 3  973.8680984  595161404612933 0    612834 0      C-13-H3C(O)CH3
  266352.7320  0.0195 -5.8471 3   55.0758116 -5951614041412 3 3    1311 2 3      C-13-H3C(O)CH3
  266353.3255  0.0264 -5.1985 3  973.8787984  595161404612833 1    612734 1      C-13-H3C(O)CH3
  266353.3303  0.0264 -5.1985 3  973.8787984  595161404612933 1    612834 1      C-13-H3C(O)CH3
  266357.1930  0.0317 -5.1984 3  973.8796984  595161404612833 2    612734 2      C-13-H3C(O)CH3
  266357.1973  0.0317 -5.1984 3  973.8796984  595161404612933 2    612834 2      C-13-H3C(O)CH3
  266360.7815  0.0131 -5.5660 3  300.7932536  595161404332013 1    331716 1      C-13-H3C(O)CH3
  266367.5802  0.0171 -6.2328 3  209.8921440  5951614042720 8 1    271710 1      C-13-H3C(O)CH3
  266371.9692  0.0324 -5.4994 3  973.8904492  595161404612833 3    612734 3      C-13-H3C(O)CH3
  266371.9745  0.0324 -5.4994 3  973.8904492  595161404612933 3    612834 3      C-13-H3C(O)CH3
  266372.0535  0.0325 -5.4994 3  973.8904492  595161404612833 4    612734 4      C-13-H3C(O)CH3
  266372.0588  0.0325 -5.4994 3  973.8904492  595161404612933 4    612834 4      C-13-H3C(O)CH3
  266385.1715  0.0430 -5.4966 3 1044.9749952  595161404594712 2    594613 2      C-13-H3C(O)CH3
  266403.5892  0.0018 -3.7799 3  102.8568344 -59516140421 714 1    20 813 1      C-13-H3C(O)CH3
  266404.3106  0.0018 -3.7798 3  102.8568344 -59516140421 814 1    20 713 1      C-13-H3C(O)CH3
  266406.0445  0.0018 -3.7800 3  102.8553344 -59516140421 714 2    20 813 2      C-13-H3C(O)CH3
  266406.6765  0.0018 -3.7800 3  102.8553344 -59516140421 814 2    20 713 2      C-13-H3C(O)CH3
  266431.1409  0.0394 -5.4964 3 1044.9648952  595161404594712 1    594613 1      C-13-H3C(O)CH3
  266435.2870  0.0399 -5.4965 3 1044.9449952  595161404594713 1    594614 1      C-13-H3C(O)CH3
  266435.5274  0.0049 -5.3129 3  326.3402632 -59516140439 831 2    39 732 2      C-13-H3C(O)CH3
  266435.5274  0.0049 -5.3129 3  326.3402632 -59516140439 931 2    39 832 2      C-13-H3C(O)CH3
  266435.5680  0.0049 -4.4161 3  326.3402632  59516140439 931 2    39 732 2      C-13-H3C(O)CH3
  266435.5680  0.0049 -4.4161 3  326.3402632  59516140439 831 2    39 832 2      C-13-H3C(O)CH3
  266438.2556  0.0051 -4.3973 3  326.3409632  59516140439 931 1    39 732 1      C-13-H3C(O)CH3
  266438.2556  0.0051 -4.3973 3  326.3409632  59516140439 831 1    39 832 1      C-13-H3C(O)CH3
  266438.3492  0.0051 -5.5000 3  326.3409632 -59516140439 931 1    39 832 1      C-13-H3C(O)CH3
  266438.3492  0.0051 -5.5000 3  326.3409632 -59516140439 831 1    39 732 1      C-13-H3C(O)CH3
  266483.7980  0.0016 -3.7799 3  102.8330344 -59516140421 714 0    20 813 0      C-13-H3C(O)CH3
  266484.3521  0.0016 -3.7799 3  102.8330344 -59516140421 814 0    20 713 0      C-13-H3C(O)CH3
  266487.6388  0.0150 -5.4065 3  159.5442196  5951614042416 8 4    2317 6 4      C-13-H3C(O)CH3
  266498.1006  0.0032 -4.0770 3   54.9977116  5951614041412 3 4    1311 3 4      C-13-H3C(O)CH3
  266504.5374  0.0239 -6.5874 3  209.8800220  5951614042720 8 3    271710 3      C-13-H3C(O)CH3
  266520.7588  0.0251 -5.3272 3  769.9524792  5951614044945 5 2    4944 6 2      C-13-H3C(O)CH3
  266529.2739  0.0066 -4.6215 3   49.6575116  59516140414 9 5 3    13 8 6 3      C-13-H3C(O)CH3
  266531.1264  0.0348 -5.4962 3 1044.9293952  595161404594712 0    594613 0      C-13-H3C(O)CH3
  266531.1264  0.0348 -5.4962 3 1044.9293952  595161404594713 0    594614 0      C-13-H3C(O)CH3
  266540.7777  0.0059 -4.3179 3   49.6133232 -59516140414 9 5 2    13 8 6 2      C-13-H3C(O)CH3
  266553.5984  0.0029 -4.0840 3   55.0758116  5951614041412 2 3    1311 2 3      C-13-H3C(O)CH3
  266568.1618  0.0031 -4.0838 3   55.0686116 -5951614041412 3 3    1311 3 3      C-13-H3C(O)CH3
  266568.1618  0.0046 -4.5187 3  326.3543632 -59516140439 931 0    39 832 0      C-13-H3C(O)CH3
  266568.1618  0.0046 -4.5187 3  326.3543632 -59516140439 831 0    39 732 0      C-13-H3C(O)CH3
  266568.2062  0.0046 -4.8867 3  326.3543632  59516140439 931 0    39 732 0      C-13-H3C(O)CH3
  266568.2062  0.0046 -4.8867 3  326.3543632  59516140439 831 0    39 832 0      C-13-H3C(O)CH3
  266586.6386  0.0049 -4.3140 3   49.5713232 -59516140414 9 5 0    13 8 6 0      C-13-H3C(O)CH3
  266602.1064  0.0221 -5.3272 3  769.9533792  5951614044945 4 0    4944 5 0      C-13-H3C(O)CH3
  266602.1064  0.0221 -5.3272 3  769.9533792  5951614044945 5 0    4944 6 0      C-13-H3C(O)CH3
  266624.5944  0.0024 -4.0760 3   55.1467116  5951614041412 2 4    1311 2 4      C-13-H3C(O)CH3
  266649.2773  0.0056 -4.3202 3   49.6145232 -59516140414 9 5 1    13 8 6 1      C-13-H3C(O)CH3
  266649.3702  0.0346 -5.6279 3  769.9594396  5951614044945 5 4    4944 6 4      C-13-H3C(O)CH3
  266680.6369  0.0068 -4.6287 3   49.6559116  59516140414 9 5 4    13 8 6 4      C-13-H3C(O)CH3
  266691.7634  0.0065 -4.8242 3  302.7919308  59516140438 831 4    38 732 4      C-13-H3C(O)CH3
  266691.7634  0.0065 -4.8242 3  302.7919308  59516140438 731 4    38 632 4      C-13-H3C(O)CH3
  266691.7634  0.0065 -5.1953 3  302.7919308  59516140438 731 4    38 732 4      C-13-H3C(O)CH3
  266691.7634  0.0065 -5.1953 3  302.7919308  59516140438 831 4    38 632 4      C-13-H3C(O)CH3
  266692.0393  0.0060 -4.9431 3  302.7919308  59516140438 831 3    38 732 3      C-13-H3C(O)CH3
  266692.0393  0.0060 -4.9431 3  302.7919308  59516140438 731 3    38 632 3      C-13-H3C(O)CH3
  266692.0393  0.0060 -5.0013 3  302.7919308  59516140438 731 3    38 732 3      C-13-H3C(O)CH3
  266692.0393  0.0060 -5.0013 3  302.7919308  59516140438 831 3    38 632 3      C-13-H3C(O)CH3
  266699.4898  0.0113 -5.2105 3  159.5341392  5951614042416 8 2    2317 6 2      C-13-H3C(O)CH3
  266704.2315  0.0329 -5.6280 3  769.9929396  5951614044945 4 3    4944 5 3      C-13-H3C(O)CH3
  266727.6173  0.0247 -5.3269 3  769.9730792  5951614044945 4 2    4944 5 2      C-13-H3C(O)CH3
  266731.4879  0.0250 -5.3268 3  769.9604792  5951614044945 5 1    4944 6 1      C-13-H3C(O)CH3
  266751.8016  0.0028 -3.7747 3   55.0066232 -5951614041412 3 1    1311 3 1      C-13-H3C(O)CH3
  266768.9873  0.0195 -5.8461 3   55.0686116  5951614041412 2 3    1311 3 3      C-13-H3C(O)CH3
  266784.4655  0.0027 -3.7745 3   55.0159232 -5951614041412 3 2    1311 3 2      C-13-H3C(O)CH3
  266786.2572  0.0236 -5.3269 3  769.9939792  5951614044945 4 1    4944 5 1      C-13-H3C(O)CH3
  266809.4483  0.0025 -3.7743 3   55.0845232 -5951614041412 2 1    1311 2 1      C-13-H3C(O)CH3
  266830.1071  0.2952 -6.6994 3 1606.3312604  595161404755224 4    755125 4      C-13-H3C(O)CH3
  266847.1171  0.0229 -6.4172 3  209.8800220  5951614042720 7 3    271710 3      C-13-H3C(O)CH3
  266853.4391  0.0028 -3.7739 3   55.0868232 -5951614041412 2 2    1311 2 2      C-13-H3C(O)CH3
  266856.3657  0.0110 -5.1708 3  159.5326392  5951614042416 8 1    2317 6 1      C-13-H3C(O)CH3
  266856.5516  0.0338 -5.6276 3  769.9800396  5951614044945 5 3    4944 6 3      C-13-H3C(O)CH3
  266860.5368  0.0049 -6.3004 3  302.7983616 -59516140438 731 2    38 632 2      C-13-H3C(O)CH3
  266860.5368  0.0049 -6.3004 3  302.7983616 -59516140438 831 2    38 732 2      C-13-H3C(O)CH3
  266860.5475  0.0049 -4.3736 3  302.7983616  59516140438 831 2    38 632 2      C-13-H3C(O)CH3
  266860.5475  0.0049 -4.3736 3  302.7983616  59516140438 731 2    38 732 2      C-13-H3C(O)CH3
  266863.0360  0.0052 -4.4303 3  302.7989616 -59516140438 831 1    38 732 1      C-13-H3C(O)CH3
  266863.0360  0.0052 -4.4303 3  302.7989616 -59516140438 731 1    38 632 1      C-13-H3C(O)CH3
  266863.0448  0.0052 -5.2464 3  302.7989616  59516140438 731 1    38 732 1      C-13-H3C(O)CH3
  266863.0448  0.0052 -5.2464 3  302.7989616  59516140438 831 1    38 632 1      C-13-H3C(O)CH3
  266869.6530  0.1027 -6.1309 3 1272.7794532  595161404664918 4    664819 4      C-13-H3C(O)CH3
  266912.6035  0.0350 -5.6277 3  770.0134396  5951614044945 4 4    4944 5 4      C-13-H3C(O)CH3
  266967.9185  0.1052 -6.1307 3 1272.8193532  595161404664918 3    664818 3      C-13-H3C(O)CH3
  266973.7723  0.2642 -6.6992 3 1606.3626604  595161404755224 3    755125 3      C-13-H3C(O)CH3
  266981.7716  0.0682 -5.8853 3 1194.6031540  595161404673334 3    673235 3      C-13-H3C(O)CH3
  266981.7797  0.0682 -5.8853 3 1194.6031540  595161404673334 4    673235 4      C-13-H3C(O)CH3
  266982.0238  0.0682 -5.8853 3 1194.6031540  595161404673434 3    673335 3      C-13-H3C(O)CH3
  266982.0309  0.0682 -5.8853 3 1194.6031540  595161404673434 4    673335 4      C-13-H3C(O)CH3
  266993.9894  0.3402 -6.3979 3 1606.3344C08  595161404755224 1    755125 1      C-13-H3C(O)CH3
  266996.6047  0.0632 -5.5842 3 1194.5846A80  595161404673334 1    673235 1      C-13-H3C(O)CH3
  266996.8424  0.0632 -5.5842 3 1194.5846A80  595161404673434 1    673335 1      C-13-H3C(O)CH3
  267002.6196  0.0676 -5.5842 3 1194.5869A80  595161404673334 2    673235 2      C-13-H3C(O)CH3
  267002.8356  0.0675 -5.5842 3 1194.5869A80  595161404673434 2    673335 2      C-13-H3C(O)CH3
  267011.5621  0.0025 -3.7732 3   55.0254232 -5951614041412 3 0    1311 2 0      C-13-H3C(O)CH3
  267012.3011  0.0074 -4.7206 3  676.7497840  595161404522032 0    521933 0      C-13-H3C(O)CH3
  267012.3012  0.0074 -4.7208 3  676.7497840  595161404522132 0    522033 0      C-13-H3C(O)CH3
  267017.4585  0.0627 -5.5841 3 1194.5684A80  595161404673334 0    673235 0      C-13-H3C(O)CH3
  267017.6619  0.0627 -5.5841 3 1194.5684A80  595161404673434 0    673335 0      C-13-H3C(O)CH3
  267020.3676  0.0016 -4.2766 3   91.3354156 -595161404191010 4    18 9 9 4      C-13-H3C(O)CH3
  267028.9881  0.0950 -6.1306 3 1272.8174532  595161404664917 3    664819 3      C-13-H3C(O)CH3
  267030.3735  0.0020 -4.2766 3   91.3351156 -595161404191010 3    18 9 9 3      C-13-H3C(O)CH3
  267031.2495  0.0047 -5.3366 3  302.8053616  59516140438 731 0    38 732 0      C-13-H3C(O)CH3
  267031.2495  0.0047 -5.3366 3  302.8053616  59516140438 831 0    38 632 0      C-13-H3C(O)CH3
  267031.3046  0.0047 -4.4172 3  302.8053616 -59516140438 831 0    38 732 0      C-13-H3C(O)CH3
  267031.3046  0.0047 -4.4172 3  302.8053616 -59516140438 731 0    38 632 0      C-13-H3C(O)CH3
  267046.1512  0.0074 -4.7608 3  279.8492300  59516140437 631 4    37 632 4      C-13-H3C(O)CH3
  267046.1512  0.0074 -4.7608 3  279.8492300  59516140437 731 4    37 532 4      C-13-H3C(O)CH3
  267046.1512  0.0074 -5.4781 3  279.8492300  59516140437 631 4    37 532 4      C-13-H3C(O)CH3
  267046.1512  0.0074 -5.4781 3  279.8492300  59516140437 731 4    37 632 4      C-13-H3C(O)CH3
  267046.3878  0.0068 -4.6921 3  279.8491300  59516140437 731 3    37 532 3      C-13-H3C(O)CH3
  267046.3878  0.0068 -6.4498 3  279.8491300  59516140437 731 3    37 632 3      C-13-H3C(O)CH3
  267046.3878  0.0068 -6.4498 3  279.8491300  59516140437 631 3    37 532 3      C-13-H3C(O)CH3
  267046.3878  0.0068 -4.6921 3  279.8491300  59516140437 631 3    37 632 3      C-13-H3C(O)CH3
  267063.8347  0.0025 -3.7730 3   55.0242232 -5951614041412 2 0    1311 3 0      C-13-H3C(O)CH3
  267065.3808  0.2637 -6.6990 3 1606.3700604  595161404755223 3    755124 3      C-13-H3C(O)CH3
  267071.0927  0.0083 -4.7198 3  676.7352840  595161404522132 1    522033 1      C-13-H3C(O)CH3
  267071.0927  0.0083 -4.7190 3  676.7352840  595161404522032 1    521933 1      C-13-H3C(O)CH3
  267071.0930  0.0099 -4.7187 3  676.7346840  595161404522032 2    521933 2      C-13-H3C(O)CH3
  267071.0930  0.0099 -4.7188 3  676.7346840  595161404522132 2    522033 2      C-13-H3C(O)CH3
  267105.0888  0.0089 -6.0089 3  203.1751220  595161404271810 4    271513 4      C-13-H3C(O)CH3
  267116.8427  0.0906 -5.8293 3 1272.7669A64  595161404664918 1    664819 1      C-13-H3C(O)CH3
  267120.1557  0.0983 -5.8293 3 1272.7713A64  595161404664918 2    664819 2      C-13-H3C(O)CH3
  267126.7518  0.0997 -6.1305 3 1272.8574532  595161404664917 4    664818 4      C-13-H3C(O)CH3
  267127.0932  0.0066 -6.2578 3  142.4333188  595161404231410 4    231113 4      C-13-H3C(O)CH3
  267129.5863  0.2119 -6.6391 3 1604.2648620  595161404774136 4    774037 4      C-13-H3C(O)CH3
  267129.6478  0.2119 -6.6391 3 1604.2648620  595161404774136 3    774037 3      C-13-H3C(O)CH3
  267129.9728  0.0098 -5.0195 3  676.7201420  595161404522132 3    522033 3      C-13-H3C(O)CH3
  267129.9728  0.0098 -5.0195 3  676.7201420  595161404522032 3    521933 3      C-13-H3C(O)CH3
  267130.0805  0.0099 -5.0195 3  676.7200420  595161404522132 4    522033 4      C-13-H3C(O)CH3
  267130.0805  0.0099 -5.0197 3  676.7200420  595161404522032 4    521933 4      C-13-H3C(O)CH3
  267147.6991  0.0054 -6.2577 3  142.4333188  595161404231410 3    231113 3      C-13-H3C(O)CH3
  267148.0904  0.0019 -3.9757 3   91.3117312 -595161404191010 1    18 9 9 1      C-13-H3C(O)CH3
  267157.7240  0.2071 -6.3380 3 1604.2556C40  595161404774136 1    774037 1      C-13-H3C(O)CH3
  267162.3305  0.2088 -6.6390 3 1604.2649620  595161404774236 4    774137 4      C-13-H3C(O)CH3
  267162.4057  0.2087 -6.6390 3 1604.2649620  595161404774236 3    774137 3      C-13-H3C(O)CH3
  267163.4086  0.0175 -6.2344 3  209.8812440  5951614042720 8 2    271710 2      C-13-H3C(O)CH3
  267164.9579  0.3234 -6.3975 3 1606.3254C08  595161404755224 2    755125 2      C-13-H3C(O)CH3
  267171.6860  0.2141 -6.3379 3 1604.2594C40  595161404774136 2    774037 2      C-13-H3C(O)CH3
  267189.2537  0.0020 -3.9761 3   91.3075312 -595161404191010 2    18 9 9 2      C-13-H3C(O)CH3
  267190.4690  0.2077 -6.3379 3 1604.2558C40  595161404774236 1    774137 1      C-13-H3C(O)CH3
  267199.6970  0.2080 -6.3378 3 1604.2503C40  595161404774136 0    774037 0      C-13-H3C(O)CH3
  267201.8106  0.2111 -6.3378 3 1604.2596C40  595161404774236 2    774137 2      C-13-H3C(O)CH3
  267208.6771  0.2604 -6.6987 3 1606.4015604  595161404755223 4    755124 4      C-13-H3C(O)CH3
  267214.7824  0.1026 -5.8291 3 1272.8069A64  595161404664917 1    664818 1      C-13-H3C(O)CH3
  267228.8942  0.3431 -6.3975 3 1606.3732C08  595161404755223 1    755124 1      C-13-H3C(O)CH3
  267229.8036  0.2087 -6.3377 3 1604.2505C40  595161404774236 0    774137 0      C-13-H3C(O)CH3
  267229.9793  0.0374 -5.6508 3  901.2167436  5951614045446 8 4    5445 9 4      C-13-H3C(O)CH3
  267233.3331  0.0276 -5.3498 3  901.1957872  5951614045446 8 2    5445 9 2      C-13-H3C(O)CH3
  267233.7912  0.0017 -4.0148 3  107.7253180 -59516140422 616 4    21 715 4      C-13-H3C(O)CH3
  267233.7912  0.0017 -4.0148 3  107.7253180 -59516140422 616 3    21 715 3      C-13-H3C(O)CH3
  267233.7912  0.0017 -4.0148 3  107.7253180 -59516140422 716 4    21 615 4      C-13-H3C(O)CH3
  267233.7912  0.0017 -4.0148 3  107.7253180 -59516140422 716 3    21 615 3      C-13-H3C(O)CH3
  267237.1289  0.0070 -5.9987 3  203.1751220  595161404271810 3    271513 3      C-13-H3C(O)CH3
  267249.3695  0.0077 -5.7001 3  203.1877440  595161404271810 1    271513 1      C-13-H3C(O)CH3
  267253.3817  0.0054 -5.9537 3  142.4258376  595161404231410 2    231113 2      C-13-H3C(O)CH3
  267257.3047  0.0055 -4.4917 3  279.8471600  59516140437 631 2    37 532 2      C-13-H3C(O)CH3
  267257.3047  0.0055 -5.0362 3  279.8471600  59516140437 731 2    37 532 2      C-13-H3C(O)CH3
  267257.3214  0.0055 -4.4917 3  279.8471600 -59516140437 731 2    37 632 2      C-13-H3C(O)CH3
  267257.3214  0.0055 -5.0362 3  279.8471600 -59516140437 631 2    37 632 2      C-13-H3C(O)CH3
  267259.1717  0.0077 -4.9219 3  159.5194392  5951614042416 8 0    2317 7 0      C-13-H3C(O)CH3
  267259.5500  0.0059 -5.2225 3  279.8476600  59516140437 731 1    37 532 1      C-13-H3C(O)CH3
  267259.5500  0.0059 -5.2225 3  279.8476600  59516140437 631 1    37 632 1      C-13-H3C(O)CH3
  267259.6531  0.0059 -4.4506 3  279.8476600 -59516140437 731 1    37 632 1      C-13-H3C(O)CH3
  267259.6531  0.0059 -4.4506 3  279.8476600 -59516140437 631 1    37 532 1      C-13-H3C(O)CH3
  267279.0425  0.0982 -5.8290 3 1272.8094A64  595161404664917 2    664818 2      C-13-H3C(O)CH3
  267280.8689  0.0054 -5.9544 3  142.4286376  595161404231410 1    231113 1      C-13-H3C(O)CH3
  267281.3729  0.0333 -5.6508 3  901.2211436  5951614045446 8 3    5445 9 3      C-13-H3C(O)CH3
  267302.3915  0.0019 -3.7136 3  107.7011360 -59516140422 716 1    21 615 1      C-13-H3C(O)CH3
  267302.3915  0.0019 -3.7136 3  107.7011360 -59516140422 616 1    21 715 1      C-13-H3C(O)CH3
  267303.7930  0.0018 -3.7137 3  107.7000360 -59516140422 616 2    21 715 2      C-13-H3C(O)CH3
  267303.7930  0.0018 -3.7137 3  107.7000360 -59516140422 716 2    21 615 2      C-13-H3C(O)CH3
  267308.3527  0.3149 -6.3973 3 1606.3569C08  595161404755223 2    755124 2      C-13-H3C(O)CH3
  267311.3043  0.0017 -3.9761 3   91.2840312 -595161404191010 0    18 9 9 0      C-13-H3C(O)CH3
  267311.4319  0.0354 -5.6507 3  901.2057436  5951614045446 9 3    544510 3      C-13-H3C(O)CH3
  267315.0432  0.0276 -5.3497 3  901.1848872  5951614045446 9 2    544510 2      C-13-H3C(O)CH3
  267326.7678  0.3718 -6.3972 3 1606.3288C08  595161404755223 0    755124 0      C-13-H3C(O)CH3
  267331.2628  0.3717 -6.3971 3 1606.3286C08  595161404755224 0    755125 0      C-13-H3C(O)CH3
  267360.3068  0.0105 -6.1138 3  153.8792376  5951614042318 6 0    2315 9 0      C-13-H3C(O)CH3
  267363.4186  0.0353 -5.6507 3  901.2100436  5951614045446 9 4    544510 4      C-13-H3C(O)CH3
  267366.9142  0.1054 -5.8287 3 1272.7589A64  595161404664917 0    664818 0      C-13-H3C(O)CH3
  267366.9256  0.1054 -5.8287 3 1272.7589A64  595161404664918 0    664819 0      C-13-H3C(O)CH3
  267369.9483  0.0087 -4.7136 3  257.4997292  59516140436 631 4    36 432 4      C-13-H3C(O)CH3
  267369.9483  0.0087 -4.7136 3  257.4997292  59516140436 531 4    36 532 4      C-13-H3C(O)CH3
  267370.1100  0.0079 -6.5179 3  257.4996292  59516140436 631 3    36 532 3      C-13-H3C(O)CH3
  267370.1100  0.0079 -6.5179 3  257.4996292  59516140436 531 3    36 432 3      C-13-H3C(O)CH3
  267370.1100  0.0079 -4.7192 3  257.4996292  59516140436 631 3    36 432 3      C-13-H3C(O)CH3
  267370.1100  0.0079 -4.7192 3  257.4996292  59516140436 531 3    36 532 3      C-13-H3C(O)CH3
  267372.2798  0.0017 -3.7135 3  107.6759360 -59516140422 616 0    21 715 0      C-13-H3C(O)CH3
  267372.2798  0.0017 -3.7135 3  107.6759360 -59516140422 716 0    21 615 0      C-13-H3C(O)CH3
  267378.3064  0.0282 -5.3495 3  901.1904872  5951614045446 9 1    544510 1      C-13-H3C(O)CH3
  267380.8987  0.0237 -5.3495 3  901.1694872  5951614045446 8 0    544510 0      C-13-H3C(O)CH3
  267380.8987  0.0237 -5.3495 3  901.1694872  5951614045446 9 0    5445 9 0      C-13-H3C(O)CH3
  267396.0204  0.0055 -5.9513 3  142.4212376  595161404231410 0    231113 0      C-13-H3C(O)CH3
  267414.9662  0.0109 -6.4590 3  421.9999324  595161404401921 3    392218 3      C-13-H3C(O)CH3
  267415.4937  0.0110 -6.4590 3  421.9999324  595161404401921 4    392218 4      C-13-H3C(O)CH3
  267417.3427  0.0106 -6.1589 3  422.0278648  595161404401921 1    392218 1      C-13-H3C(O)CH3
  267429.7623  0.0263 -5.3495 3  901.1947872  5951614045446 8 1    5445 9 1      C-13-H3C(O)CH3
  267430.7464  0.0132 -5.4166 3  231.2084456  5951614042822 7 0    2723 4 0      C-13-H3C(O)CH3
  267432.2415  0.0132 -5.4166 3  231.2084456  5951614042822 6 0    2723 5 0      C-13-H3C(O)CH3
  267470.0671  0.0052 -4.4508 3  279.8455600  59516140437 631 0    37 632 0      C-13-H3C(O)CH3
  267470.0671  0.0052 -4.4508 3  279.8455600  59516140437 731 0    37 532 0      C-13-H3C(O)CH3
  267470.1340  0.0052 -5.2148 3  279.8455600 -59516140437 631 0    37 532 0      C-13-H3C(O)CH3
  267470.1340  0.0052 -5.2148 3  279.8455600 -59516140437 731 0    37 632 0      C-13-H3C(O)CH3
  267470.6087  0.0146 -6.4775 3  153.8768376  5951614042318 5 1    2315 9 1      C-13-H3C(O)CH3
  267476.2094  0.0072 -5.6971 3  203.1827440  595161404271810 2    271513 2      C-13-H3C(O)CH3
  267481.0522  0.0109 -6.1564 3  422.0225648  595161404401921 2    392218 2      C-13-H3C(O)CH3
  267482.7576  0.0092 -6.1574 3  422.0503648  595161404401921 0    392218 0      C-13-H3C(O)CH3
  267489.0482  0.1443 -6.3050 3 1379.3342556  595161404695020 4    694921 4      C-13-H3C(O)CH3
  267505.6458  0.0171 -6.1547 3  209.8921440  5951614042720 7 1    271710 1      C-13-H3C(O)CH3
  267507.0793  0.2048 -6.4947 3 1490.5133580  595161404725122 4    725023 4      C-13-H3C(O)CH3
  267550.8549  0.0074 -5.6940 3  203.1953440  595161404271810 0    271513 0      C-13-H3C(O)CH3
  267599.3701  0.0136 -5.7307 3  159.5003196  5951614042416 8 3    2317 6 3      C-13-H3C(O)CH3
  267601.4786  0.0228 -5.9602 3  174.3061204  5951614042517 9 4    2418 6 4      C-13-H3C(O)CH3
  267621.9119  0.4559 -7.0293 3 1968.1125D68  595161404854738 1    854639 1      C-13-H3C(O)CH3
  267627.5245  0.0068 -4.4102 3  257.4875584  59516140436 531 2    36 432 2      C-13-H3C(O)CH3
  267627.5277  0.0068 -4.4102 3  257.4875584 -59516140436 631 2    36 532 2      C-13-H3C(O)CH3
  267629.4588  0.0075 -6.4154 3  257.4880584  59516140436 531 1    36 532 1      C-13-H3C(O)CH3
  267629.4588  0.0075 -6.4154 3  257.4880584  59516140436 631 1    36 432 1      C-13-H3C(O)CH3
  267629.5311  0.0075 -4.4146 3  257.4880584 -59516140436 631 1    36 532 1      C-13-H3C(O)CH3
  267629.5311  0.0075 -4.4146 3  257.4880584 -59516140436 531 1    36 432 1      C-13-H3C(O)CH3
  267632.0113  0.1452 -6.3048 3 1379.3773556  595161404695019 3    694920 3      C-13-H3C(O)CH3
  267638.5844  0.0118 -5.4149 3  231.1862456  5951614042822 6 2    2723 4 2      C-13-H3C(O)CH3
  267642.4864  0.0288 -5.3704 3  746.9538776  5951614044845 4 2    4844 5 2      C-13-H3C(O)CH3
  267651.8174  0.0244 -6.4581 3  209.8799220  5951614042720 7 4    271710 4      C-13-H3C(O)CH3
  267657.7819  0.4562 -7.0292 3 1968.1201D68  595161404854738 0    854639 0      C-13-H3C(O)CH3
  267660.8318  0.1255 -6.3047 3 1379.3718556  595161404695020 3    694921 3      C-13-H3C(O)CH3
  267664.7713  0.0103 -4.8761 3  235.7444284  59516140435 531 4    35 332 4      C-13-H3C(O)CH3
  267664.7713  0.0103 -5.3850 3  235.7444284  59516140435 531 4    35 432 4      C-13-H3C(O)CH3
  267664.7713  0.0103 -4.8761 3  235.7444284  59516140435 431 4    35 432 4      C-13-H3C(O)CH3
  267664.7713  0.0103 -5.3850 3  235.7444284  59516140435 431 4    35 332 4      C-13-H3C(O)CH3
  267664.8140  0.0095 -4.7685 3  235.7444284  59516140435 431 3    35 432 3      C-13-H3C(O)CH3
  267664.8140  0.0095 -6.4190 3  235.7444284  59516140435 431 3    35 332 3      C-13-H3C(O)CH3
  267664.8140  0.0095 -6.4190 3  235.7444284  59516140435 531 3    35 432 3      C-13-H3C(O)CH3
  267664.8140  0.0095 -4.7685 3  235.7444284  59516140435 531 3    35 332 3      C-13-H3C(O)CH3
  267666.9223  0.5157 -7.0292 3 1968.1157D68  595161404854738 2    854639 2      C-13-H3C(O)CH3
  267673.7260  0.1747 -6.4944 3 1490.5483580  595161404725122 3    725023 3      C-13-H3C(O)CH3
  267679.1107  0.0143 -6.4616 3  153.8764376  5951614042318 5 2    2315 9 2      C-13-H3C(O)CH3
  267680.6632  0.0098 -5.8260 3   30.3028184  59516140411 9 3 1    10 6 4 1      C-13-H3C(O)CH3
  267692.0818  0.0241 -5.3705 3  746.9612776  5951614044845 3 0    4844 5 0      C-13-H3C(O)CH3
  267692.0818  0.0241 -5.3705 3  746.9612776  5951614044845 4 0    4844 4 0      C-13-H3C(O)CH3
  267696.4980  0.1958 -6.4943 3 1490.5559580  595161404725121 3    725022 3      C-13-H3C(O)CH3
  267711.1933  0.2229 -6.1931 3 1490.5103B60  595161404725122 1    725023 1      C-13-H3C(O)CH3
  267713.5331  0.0230 -6.8976 3  725.1662856  595161404532330 1    522627 1      C-13-H3C(O)CH3
  267714.4077  0.0230 -6.8976 3  725.1661856  595161404532430 1    522527 1      C-13-H3C(O)CH3
  267717.5290  0.0126 -5.4161 3  231.1428456  5951614042822 7 1    2723 5 1      C-13-H3C(O)CH3
  267722.3887  0.1422 -6.0034 3 1379.3260B12  595161404695020 1    694921 1      C-13-H3C(O)CH3
  267723.1155  0.0265 -6.8965 3  725.1654856  595161404532330 2    522627 2      C-13-H3C(O)CH3
  267723.9921  0.0265 -6.8965 3  725.1654856  595161404532430 2    522527 2      C-13-H3C(O)CH3
  267733.2886  0.0189 -6.8980 3  725.1715856  595161404532330 0    522627 0      C-13-H3C(O)CH3
  267734.0840  0.0189 -6.8980 3  725.1715856  595161404532430 0    522527 0      C-13-H3C(O)CH3
  267782.0436  0.0206 -5.1339 3  937.5560968  595161404602733 0    602634 0      C-13-H3C(O)CH3
  267782.0448  0.0206 -5.1339 3  937.5560968  595161404602833 0    602734 0      C-13-H3C(O)CH3
  267782.5748  0.1484 -6.0033 3 1379.3281B12  595161404695020 2    694921 2      C-13-H3C(O)CH3
  267797.0176  0.0126 -5.4150 3  231.1695456  5951614042822 6 1    2723 4 1      C-13-H3C(O)CH3
  267803.3069  0.1342 -6.3045 3 1379.4149556  595161404695019 4    694920 4      C-13-H3C(O)CH3
  267804.4947  0.0223 -5.1337 3  937.5646968  595161404602733 1    602634 1      C-13-H3C(O)CH3
  267804.4963  0.0223 -5.1337 3  937.5646968  595161404602833 1    602734 1      C-13-H3C(O)CH3
  267807.9684  0.0275 -5.1337 3  937.5653968  595161404602733 2    602634 2      C-13-H3C(O)CH3
  267807.9698  0.0275 -5.1337 3  937.5653968  595161404602833 2    602734 2      C-13-H3C(O)CH3
  267809.7139  0.0400 -5.6710 3  746.9592388  5951614044845 4 4    4844 5 4      C-13-H3C(O)CH3
  267829.5364  0.2216 -6.1929 3 1490.5079B60  595161404725122 2    725023 2      C-13-H3C(O)CH3
  267830.4780  0.0280 -5.4346 3  937.5740484  595161404602733 3    602634 3      C-13-H3C(O)CH3
  267830.4797  0.0280 -5.4346 3  937.5740484  595161404602833 3    602734 3      C-13-H3C(O)CH3
  267830.5755  0.0282 -5.4346 3  937.5740484  595161404602733 4    602634 4      C-13-H3C(O)CH3
  267830.5772  0.0282 -5.4346 3  937.5740484  595161404602833 4    602734 4      C-13-H3C(O)CH3
  267831.4335  0.0127 -5.4150 3  231.1552456  5951614042822 7 2    2723 5 2      C-13-H3C(O)CH3
  267842.9901  0.0134 -5.8922 3  209.8934440  5951614042720 7 0    271710 0      C-13-H3C(O)CH3
  267845.1734  0.0213 -6.8233 3  153.8719188  5951614042318 5 4    2315 9 4      C-13-H3C(O)CH3
  267854.3760  0.0391 -5.6711 3  746.9991388  5951614044845 3 3    4844 4 3      C-13-H3C(O)CH3
  267859.9528  0.0283 -5.3700 3  746.9667776  5951614044845 4 1    4844 5 1      C-13-H3C(O)CH3
  267860.1465  0.1207 -6.2431 3 1392.4741580  595161404723735 4    723636 4      C-13-H3C(O)CH3
  267860.1878  0.1207 -6.2431 3 1392.4741580  595161404723735 3    723636 3      C-13-H3C(O)CH3
  267862.7161  0.1838 -6.4940 3 1490.5911580  595161404725121 4    725022 4      C-13-H3C(O)CH3
  267863.3347  0.1205 -6.2431 3 1392.4741580  595161404723835 4    723736 4      C-13-H3C(O)CH3
  267863.3810  0.1204 -6.2431 3 1392.4741580  595161404723835 3    723736 3      C-13-H3C(O)CH3
  267865.0122  0.1617 -6.0032 3 1379.3691B12  595161404695019 1    694920 1      C-13-H3C(O)CH3
  267875.3466  0.0290 -5.3701 3  746.9835776  5951614044845 3 2    4844 4 2      C-13-H3C(O)CH3
  267886.3594  0.0064 -4.9667 3  257.4759584  59516140436 531 0    36 532 0      C-13-H3C(O)CH3
  267886.3594  0.0064 -4.9667 3  257.4759584  59516140436 631 0    36 432 0      C-13-H3C(O)CH3
  267886.4300  0.0064 -4.5500 3  257.4759584 -59516140436 631 0    36 532 0      C-13-H3C(O)CH3
  267886.4300  0.0064 -4.5500 3  257.4759584 -59516140436 531 0    36 432 0      C-13-H3C(O)CH3
  267889.7112  0.1188 -5.9420 3 1392.4578B60  595161404723735 1    723636 1      C-13-H3C(O)CH3
  267892.8266  0.1189 -5.9420 3 1392.4578B60  595161404723835 1    723736 1      C-13-H3C(O)CH3
  267897.9494  0.1217 -5.9420 3 1392.4610B60  595161404723735 2    723636 2      C-13-H3C(O)CH3
  267900.2518  0.2419 -6.1928 3 1490.5530B60  595161404725121 1    725022 1      C-13-H3C(O)CH3
  267900.7879  0.1215 -5.9420 3 1392.4610B60  595161404723835 2    723736 2      C-13-H3C(O)CH3
  267904.4254  0.0272 -5.3702 3  747.0066776  5951614044845 3 1    4844 4 1      C-13-H3C(O)CH3
  267921.8952  0.0133 -5.7155 3  231.1205228  5951614042822 7 3    2723 4 3      C-13-H3C(O)CH3
  267923.2113  0.0068 -4.6728 3  645.6045824  595161404511932 0    511833 0      C-13-H3C(O)CH3
  267923.2113  0.0068 -6.8640 3  645.6045824  595161404511932 0    511933 0      C-13-H3C(O)CH3
  267923.2113  0.0068 -4.6752 3  645.6045824  595161404512032 0    511933 0      C-13-H3C(O)CH3
  267927.4351  0.1192 -5.9418 3 1392.4448B60  595161404723735 0    723636 0      C-13-H3C(O)CH3
  267930.2029  0.1194 -5.9418 3 1392.4448B60  595161404723835 0    723736 0      C-13-H3C(O)CH3
  267932.0537  0.0115 -4.8362 3  214.5843276  59516140434 431 3    34 232 3      C-13-H3C(O)CH3
  267932.0537  0.0115 -4.8362 3  214.5843276  59516140434 331 3    34 332 3      C-13-H3C(O)CH3
  267932.1834  0.0124 -5.0228 3  214.5843276  59516140434 331 4    34 332 4      C-13-H3C(O)CH3
  267932.1834  0.0124 -5.2880 3  214.5843276  59516140434 331 4    34 232 4      C-13-H3C(O)CH3
  267932.1834  0.0124 -5.2880 3  214.5843276  59516140434 431 4    34 332 4      C-13-H3C(O)CH3
  267932.1834  0.0124 -5.0228 3  214.5843276  59516140434 431 4    34 232 4      C-13-H3C(O)CH3
  267953.9884  0.1467 -6.0030 3 1379.3658B12  595161404695019 2    694920 2      C-13-H3C(O)CH3
  267965.0183  0.0178 -6.1572 3  209.8812440  5951614042720 7 2    271710 2      C-13-H3C(O)CH3
  267972.7348  0.0093 -4.6097 3  235.7205568 -59516140435 431 2    35 332 2      C-13-H3C(O)CH3
  267972.7348  0.0093 -4.6097 3  235.7205568 -59516140435 531 2    35 432 2      C-13-H3C(O)CH3
  267972.7945  0.0093 -4.9833 3  235.7205568  59516140435 431 2    35 432 2      C-13-H3C(O)CH3
  267972.7945  0.0093 -4.9833 3  235.7205568  59516140435 531 2    35 332 2      C-13-H3C(O)CH3
  267974.3631  0.0101 -4.4578 3  235.7210568  59516140435 531 1    35 332 1      C-13-H3C(O)CH3
  267974.3631  0.0101 -4.4578 3  235.7210568  59516140435 431 1    35 432 1      C-13-H3C(O)CH3
  267974.3631  0.0101 -6.9999 3  235.7210568  59516140435 531 1    35 432 1      C-13-H3C(O)CH3
  267974.3631  0.0101 -6.9999 3  235.7210568  59516140435 431 1    35 332 1      C-13-H3C(O)CH3
  267981.6780  0.0088 -4.6742 3  645.5861824  595161404512032 2    511933 2      C-13-H3C(O)CH3
  267981.6780  0.0088 -4.6742 3  645.5861824  595161404511932 2    511833 2      C-13-H3C(O)CH3
  267981.6780  0.0088 -6.9670 3  645.5861824  595161404511932 2    511933 2      C-13-H3C(O)CH3
  267981.6780  0.0088 -6.9630 3  645.5861824  595161404512032 2    511833 2      C-13-H3C(O)CH3
  267982.0994  0.0077 -4.6729 3  645.5867824  595161404512032 1    511933 1      C-13-H3C(O)CH3
  267982.0994  0.0077 -4.6729 3  645.5867824  595161404511932 1    511833 1      C-13-H3C(O)CH3
  267986.2850  0.0041 -4.1329 3   93.5870312 -5951614041910 9 2    1811 8 2      C-13-H3C(O)CH3
  267986.8049  0.3253 -6.9729 3 1781.8049652  595161404814437 4    814338 4      C-13-H3C(O)CH3
  267986.8621  0.3254 -6.9729 3 1781.8049652  595161404814437 3    814338 3      C-13-H3C(O)CH3
  267987.0138  0.0113 -5.8232 3   30.2994184  59516140411 9 3 2    10 6 4 2      C-13-H3C(O)CH3
  267990.9570  0.0155 -5.3800 3  159.4873196  5951614042416 8 3    2317 7 3      C-13-H3C(O)CH3
  267995.8881  0.2168 -6.1926 3 1490.5431B60  595161404725121 2    725022 2      C-13-H3C(O)CH3
  268001.9225  0.3065 -6.6718 3 1781.8028D04  595161404814437 1    814338 1      C-13-H3C(O)CH3
  268003.6746  0.0158 -5.7144 3  231.1472228  5951614042822 6 4    2723 4 4      C-13-H3C(O)CH3
  268015.6468  0.1685 -6.0027 3 1379.3200B12  595161404695019 0    694920 0      C-13-H3C(O)CH3
  268015.7429  0.1685 -6.0027 3 1379.3200B12  595161404695020 0    694921 0      C-13-H3C(O)CH3
  268025.3951  0.3275 -6.6717 3 1781.8065D04  595161404814437 2    814338 2      C-13-H3C(O)CH3
  268026.4589  0.0042 -4.4312 3   93.6104156 -5951614041910 9 3    1811 8 3      C-13-H3C(O)CH3
  268027.2338  0.0036 -4.1338 3   93.5666312 -5951614041910 9 0    1811 8 0      C-13-H3C(O)CH3
  268033.2766  0.2572 -6.1924 3 1490.5051B60  595161404725121 0    725022 0      C-13-H3C(O)CH3
  268033.9779  0.2571 -6.1924 3 1490.5050B60  595161404725122 0    725023 0      C-13-H3C(O)CH3
  268034.6009  0.5194 -7.0722 3 1812.6034644  595161404805427 4    805328 4      C-13-H3C(O)CH3
  268040.4346  0.3072 -6.6716 3 1781.8043D04  595161404814437 0    814338 0      C-13-H3C(O)CH3
  268040.6538  0.0088 -4.9837 3  645.5683412  595161404511932 3    511833 3      C-13-H3C(O)CH3
  268040.6538  0.0088 -6.5771 3  645.5683412  595161404511932 3    511933 3      C-13-H3C(O)CH3
  268040.6538  0.0088 -4.9836 3  645.5683412  595161404512032 3    511933 3      C-13-H3C(O)CH3
  268040.6538  0.0088 -6.5808 3  645.5683412  595161404512032 3    511833 3      C-13-H3C(O)CH3
  268040.7451  0.0089 -4.9750 3  645.5682412  595161404512032 4    511933 4      C-13-H3C(O)CH3
  268040.7451  0.0089 -4.9751 3  645.5682412  595161404511932 4    511833 4      C-13-H3C(O)CH3
  268040.8034  0.0124 -5.2339 3  159.4893392  5951614042416 8 2    2317 7 2      C-13-H3C(O)CH3
  268043.1803  0.0400 -5.6707 3  746.9888388  5951614044845 4 3    4844 5 3      C-13-H3C(O)CH3
  268076.6882  0.4422 -7.0279 3 1968.1153D68  595161404854838 1    854739 1      C-13-H3C(O)CH3
  268081.1294  0.0046 -4.4312 3   93.6091156 -5951614041910 9 4    1811 8 4      C-13-H3C(O)CH3
  268089.0694  0.0414 -5.6709 3  747.0287388  5951614044845 3 4    4844 4 4      C-13-H3C(O)CH3
  268091.5007  0.4422 -7.0278 3 1968.1227D68  595161404854838 0    854739 0      C-13-H3C(O)CH3
  268091.6140  0.4542 -7.0279 3 1968.1182D68  595161404854838 2    854739 2      C-13-H3C(O)CH3
  268093.7818  0.0040 -4.1311 3   93.5893312 -5951614041910 9 1    1811 8 1      C-13-H3C(O)CH3
  268100.3644  0.0082 -5.9177 3   30.3589 92  59516140411 9 3 3    10 6 4 3      C-13-H3C(O)CH3
  268106.3903  0.5436 -7.0887 3 1812.6290644  595161404805427 3    805328 3      C-13-H3C(O)CH3
  268112.3893  0.3113 -6.9725 3 1781.8056652  595161404814537 4    814438 4      C-13-H3C(O)CH3
  268112.4077  0.0139 -5.7156 3  231.0896228  5951614042822 7 4    2723 5 4      C-13-H3C(O)CH3
  268112.4554  0.3111 -6.9725 3 1781.8056652  595161404814537 3    814438 3      C-13-H3C(O)CH3
  268129.1394  0.3062 -6.6714 3 1781.8035D04  595161404814537 1    814438 1      C-13-H3C(O)CH3
  268129.7537  0.6058 -6.7712 3 1812.6191C88  595161404805427 1    805328 1      C-13-H3C(O)CH3
  268132.8100  0.0656 -5.9304 3 1140.7935500  595161404624815 4    624716 4      C-13-H3C(O)CH3
  268143.1550  0.3132 -6.6714 3 1781.8071D04  595161404814537 2    814438 2      C-13-H3C(O)CH3
  268159.7160  0.3070 -6.6713 3 1781.8049D04  595161404814537 0    814438 0      C-13-H3C(O)CH3
  268160.0262  0.0662 -5.9303 3 1140.8245500  595161404624815 3    624716 3      C-13-H3C(O)CH3
  268173.3353  0.0140 -4.9770 3  194.0203268  59516140433 231 3    33 232 3      C-13-H3C(O)CH3
  268173.3353  0.0140 -4.9770 3  194.0203268  59516140433 331 3    33 132 3      C-13-H3C(O)CH3
  268173.3353  0.0140 -6.4385 3  194.0203268  59516140433 231 3    33 132 3      C-13-H3C(O)CH3
  268173.3353  0.0140 -6.4385 3  194.0203268  59516140433 331 3    33 232 3      C-13-H3C(O)CH3
  268173.7006  0.0149 -5.3009 3  194.0204268  59516140433 331 4    33 132 4      C-13-H3C(O)CH3
  268173.7006  0.0149 -5.2286 3  194.0204268  59516140433 331 4    33 232 4      C-13-H3C(O)CH3
  268173.7006  0.0149 -5.2286 3  194.0204268  59516140433 231 4    33 132 4      C-13-H3C(O)CH3
  268173.7006  0.0149 -5.3009 3  194.0204268  59516140433 231 4    33 232 4      C-13-H3C(O)CH3
  268194.0565  0.0127 -5.7144 3  231.1162228  5951614042822 6 3    2723 5 3      C-13-H3C(O)CH3
  268213.2139  0.0459 -5.7671 3 1016.9719468  595161404584712 3    584613 3      C-13-H3C(O)CH3
  268227.1952  0.0525 -5.7671 3 1016.9993468  595161404584711 4    584612 4      C-13-H3C(O)CH3
  268231.3707  0.0676 -5.9302 3 1140.8297500  595161404624814 3    624715 3      C-13-H3C(O)CH3
  268236.3281  0.0462 -5.7672 3 1016.9562468  595161404584712 4    584613 4      C-13-H3C(O)CH3
  268237.2579  0.0018 -3.9584 3  112.0073188 -59516140423 518 4    22 617 4      C-13-H3C(O)CH3
  268237.2579  0.0018 -3.9584 3  112.0072188 -59516140423 618 3    22 517 3      C-13-H3C(O)CH3
  268237.2579  0.0018 -3.9584 3  112.0072188 -59516140423 518 3    22 617 3      C-13-H3C(O)CH3
  268237.2579  0.0018 -3.9584 3  112.0073188 -59516140423 618 4    22 517 4      C-13-H3C(O)CH3
  268250.2419  0.0477 -5.7671 3 1016.9836468  595161404584711 3    584612 3      C-13-H3C(O)CH3
  268258.2625  0.0713 -5.9302 3 1140.8608500  595161404624814 4    624715 4      C-13-H3C(O)CH3
  268281.6952  0.0087 -4.4613 3  235.6972568  59516140435 531 0    35 432 0      C-13-H3C(O)CH3
  268281.6952  0.0087 -6.3154 3  235.6972568  59516140435 431 0    35 432 0      C-13-H3C(O)CH3
  268281.6952  0.0087 -6.3154 3  235.6972568  59516140435 531 0    35 332 0      C-13-H3C(O)CH3
  268281.6952  0.0087 -4.4613 3  235.6972568  59516140435 431 0    35 332 0      C-13-H3C(O)CH3
  268282.2147  0.0058 -7.0332 3   78.1013280  5951614041712 5 2    17 710 2      C-13-H3C(O)CH3
  268294.6119  0.0129 -4.6545 3  214.5471552  59516140434 431 2    34 332 2      C-13-H3C(O)CH3
  268294.6119  0.0129 -5.1407 3  214.5471552  59516140434 431 2    34 232 2      C-13-H3C(O)CH3
  268294.6119  0.0129 -4.6545 3  214.5471552  59516140434 331 2    34 232 2      C-13-H3C(O)CH3
  268294.6119  0.0129 -5.1407 3  214.5471552  59516140434 331 2    34 332 2      C-13-H3C(O)CH3
  268295.5578  0.0137 -4.5983 3  214.5475552 -59516140434 331 1    34 332 1      C-13-H3C(O)CH3
  268295.5578  0.0137 -4.5983 3  214.5475552 -59516140434 431 1    34 232 1      C-13-H3C(O)CH3
  268295.7311  0.0562 -5.6290 3 1140.7830A00  595161404624815 2    624716 2      C-13-H3C(O)CH3
  268295.7650  0.0137 -5.3809 3  214.5475552  59516140434 331 1    34 232 1      C-13-H3C(O)CH3
  268295.7650  0.0137 -5.3809 3  214.5475552  59516140434 431 1    34 332 1      C-13-H3C(O)CH3
  268295.7934  0.0057 -7.0460 3   78.1032280  5951614041712 5 1    17 710 1      C-13-H3C(O)CH3
  268296.1611  0.0363 -5.4659 3 1016.9398936  595161404584712 2    584613 2      C-13-H3C(O)CH3
  268297.4308  0.0020 -3.6572 3  111.9799376 -59516140423 518 1    22 617 1      C-13-H3C(O)CH3
  268297.4308  0.0020 -3.6572 3  111.9799376 -59516140423 618 1    22 517 1      C-13-H3C(O)CH3
  268298.3381  0.0019 -3.6573 3  111.9790376 -59516140423 518 2    22 617 2      C-13-H3C(O)CH3
  268298.3381  0.0019 -3.6573 3  111.9790376 -59516140423 618 2    22 517 2      C-13-H3C(O)CH3
  268304.9711  0.4720 -7.0883 3 1812.6328644  595161404805426 3    805327 3      C-13-H3C(O)CH3
  268309.8503  0.0398 -5.4659 3 1016.9672936  595161404584711 2    584612 2      C-13-H3C(O)CH3
  268316.3877  0.0142 -5.4787 3  174.3005408  5951614042517 9 1    2418 6 1      C-13-H3C(O)CH3
  268347.4628  0.0042 -5.1356 3   32.9322100  59516140412 7 6 4    11 4 7 4      C-13-H3C(O)CH3
  268357.8054  0.0139 -5.3906 3  174.3040408  5951614042517 9 2    2418 6 2      C-13-H3C(O)CH3
  268357.9592  0.5485 -6.7707 3 1812.5981C88  595161404805427 2    805328 2      C-13-H3C(O)CH3
  268358.3548  0.0017 -3.6571 3  111.9517376 -59516140423 618 0    22 517 0      C-13-H3C(O)CH3
  268358.3548  0.0017 -3.6571 3  111.9517376 -59516140423 518 0    22 617 0      C-13-H3C(O)CH3
  268364.2779  0.0535 -5.6288 3 1140.7797A00  595161404624815 1    624716 1      C-13-H3C(O)CH3
  268369.1120  0.0033 -5.1356 3   32.9321100  59516140412 7 6 3    11 4 7 3      C-13-H3C(O)CH3
  268376.4964  0.4754 -7.0716 3 1812.6584644  595161404805426 4    805327 4      C-13-H3C(O)CH3
  268378.5917  0.0048 -6.9891 3   78.0706280  5951614041712 5 0    17 710 0      C-13-H3C(O)CH3
  268383.1468  0.0374 -5.4657 3 1016.9576936  595161404584711 1    584612 1      C-13-H3C(O)CH3
  268387.4568  0.0103 -5.6371 3  194.2226220  595161404271513 3    261610 3      C-13-H3C(O)CH3
  268390.1224  0.0171 -5.4938 3  174.0534260  59516140432 231 3    32 132 3      C-13-H3C(O)CH3
  268390.1224  0.0171 -5.5414 3  174.0534260  59516140432 231 3    32 032 3      C-13-H3C(O)CH3
  268390.1224  0.0171 -5.4938 3  174.0534260  59516140432 131 3    32 032 3      C-13-H3C(O)CH3
  268390.1224  0.0171 -5.5414 3  174.0534260  59516140432 131 3    32 132 3      C-13-H3C(O)CH3
  268390.7969  0.0180 -5.2161 3  174.0534260  59516140432 131 4    32 032 4      C-13-H3C(O)CH3
  268390.7969  0.0180 -5.2161 3  174.0534260  59516140432 231 4    32 132 4      C-13-H3C(O)CH3
  268391.2646  0.0547 -5.6288 3 1140.8108A00  595161404624814 1    624715 1      C-13-H3C(O)CH3
  268391.5197  0.0097 -5.6369 3  194.2225220  595161404271513 4    261610 4      C-13-H3C(O)CH3
  268393.8307  0.0594 -5.6288 3 1140.8192A00  595161404624814 2    624715 2      C-13-H3C(O)CH3
  268403.5015  0.5545 -6.7707 3 1812.6484C88  595161404805426 1    805327 1      C-13-H3C(O)CH3
  268406.2099  0.0370 -5.4658 3 1016.9420936  595161404584712 1    584613 1      C-13-H3C(O)CH3
  268423.9608  0.5470 -6.7706 3 1812.6240C88  595161404805426 2    805327 2      C-13-H3C(O)CH3
  268433.0328  0.6067 -6.7703 3 1812.6146C88  595161404805426 0    805327 0      C-13-H3C(O)CH3
  268456.4503  0.0075 -6.8819 3   30.3589 92  59516140411 9 2 3    10 6 4 3      C-13-H3C(O)CH3
  268465.2502  0.0311 -5.4655 3 1016.9256936  595161404584711 0    584612 0      C-13-H3C(O)CH3
  268465.2502  0.0311 -5.4655 3 1016.9256936  595161404584712 0    584613 0      C-13-H3C(O)CH3
  268472.3198  0.6055 -6.7701 3 1812.6131C88  595161404805427 0    805328 0      C-13-H3C(O)CH3
  268509.9963  0.0079 -5.3348 3  194.2311440  595161404271513 1    261610 1      C-13-H3C(O)CH3
  268526.4945  0.0530 -5.6284 3 1140.7693A00  595161404624814 0    624715 0      C-13-H3C(O)CH3
  268526.4947  0.0530 -5.6284 3 1140.7693A00  595161404624815 0    624716 0      C-13-H3C(O)CH3
  268543.8330  0.0126 -5.2788 3  159.4763392  5951614042416 8 1    2317 7 1      C-13-H3C(O)CH3
  268586.0931  0.0039 -4.8336 3   32.8757200  59516140412 7 6 2    11 4 7 2      C-13-H3C(O)CH3
  268592.2165  0.0037 -4.8336 3   32.8767200  59516140412 7 6 1    11 4 7 1      C-13-H3C(O)CH3
  268594.3885  0.0176 -5.6969 3  193.9681536  59516140433 231 2    33 132 2      C-13-H3C(O)CH3
  268594.3885  0.0176 -4.7011 3  193.9681536  59516140433 231 2    33 232 2      C-13-H3C(O)CH3
  268594.3885  0.0176 -5.6969 3  193.9681536  59516140433 331 2    33 232 2      C-13-H3C(O)CH3
  268594.3885  0.0176 -4.7011 3  193.9681536  59516140433 331 2    33 132 2      C-13-H3C(O)CH3
  268595.0824  0.0185 -5.8322 3  193.9685536  59516140433 231 1    33 232 1      C-13-H3C(O)CH3
  268595.0824  0.0185 -4.6897 3  193.9685536  59516140433 331 1    33 232 1      C-13-H3C(O)CH3
  268595.0824  0.0185 -4.6897 3  193.9685536  59516140433 231 1    33 132 1      C-13-H3C(O)CH3
  268595.0824  0.0185 -5.8322 3  193.9685536  59516140433 331 1    33 132 1      C-13-H3C(O)CH3
  268657.4888  0.0122 -5.4455 3  214.5104552 -59516140434 331 0    34 232 0      C-13-H3C(O)CH3
  268657.4888  0.0122 -5.4455 3  214.5104552 -59516140434 431 0    34 332 0      C-13-H3C(O)CH3
  268657.5165  0.0122 -4.5866 3  214.5104552  59516140434 431 0    34 232 0      C-13-H3C(O)CH3
  268657.5165  0.0122 -4.5866 3  214.5104552  59516140434 331 0    34 332 0      C-13-H3C(O)CH3
  268665.6182  0.0139 -5.4347 3  445.5247648  595161404402515 0    402218 0      C-13-H3C(O)CH3
  268687.6355  0.0340 -5.4428 3  724.4558760  5951614044745 3 2    4744 4 2      C-13-H3C(O)CH3
  268699.5500  0.0276 -5.4429 3  724.4695760  5951614044745 3 0    4744 3 0      C-13-H3C(O)CH3
  268699.5500  0.0276 -5.4429 3  724.4695760  5951614044745 2 0    4744 4 0      C-13-H3C(O)CH3
  268703.9339  0.0261 -5.3416 3  875.7109856  5951614045346 7 2    5345 8 2      C-13-H3C(O)CH3
  268732.4472  0.0354 -5.6425 3  875.7290428  5951614045346 8 4    5345 9 4      C-13-H3C(O)CH3
  268738.3267  0.0144 -5.4332 3  445.4943648  595161404402515 2    402218 2      C-13-H3C(O)CH3
  268754.6738  0.0077 -5.3285 3  194.2180440  595161404271513 2    261610 2      C-13-H3C(O)CH3
  268771.9723  0.0124 -5.2974 3  156.6238196  595161404241510 4    2316 7 4      C-13-H3C(O)CH3
  268780.1471  0.0063 -6.7025 3  615.0359808  595161404501932 0    501833 0      C-13-H3C(O)CH3
  268780.1471  0.0063 -6.4309 3  615.0359808  595161404501832 0    501733 0      C-13-H3C(O)CH3
  268780.1471  0.0063 -4.6349 3  615.0359808  595161404501832 0    501833 0      C-13-H3C(O)CH3
  268780.1471  0.0063 -4.6316 3  615.0359808  595161404501932 0    501733 0      C-13-H3C(O)CH3
  268783.4587  0.0150 -5.4344 3  445.5023648  595161404402515 1    402218 1      C-13-H3C(O)CH3
  268787.0831  0.0314 -5.6426 3  875.7394428  5951614045346 7 3    5345 8 3      C-13-H3C(O)CH3
  268819.7831  0.0040 -4.8326 3   32.8204200  59516140412 7 6 0    11 4 7 0      C-13-H3C(O)CH3
  268820.9349  0.0266 -5.3415 3  875.7059856  5951614045346 8 2    5345 9 2      C-13-H3C(O)CH3
  268836.2994  0.0079 -4.6540 3  615.0143808  595161404501832 2    501733 2      C-13-H3C(O)CH3
  268836.2994  0.0079 -5.7953 3  615.0143808  595161404501932 2    501733 2      C-13-H3C(O)CH3
  268836.2994  0.0079 -4.6762 3  615.0143808  595161404501832 2    501833 2      C-13-H3C(O)CH3
  268836.2994  0.0079 -5.6525 3  615.0143808  595161404501932 2    501833 2      C-13-H3C(O)CH3
  268837.1232  0.0072 -4.6434 3  615.0150808  595161404501932 1    501833 1      C-13-H3C(O)CH3
  268837.1232  0.0072 -6.0767 3  615.0150808  595161404501932 1    501733 1      C-13-H3C(O)CH3
  268837.1232  0.0072 -6.0795 3  615.0150808  595161404501832 1    501833 1      C-13-H3C(O)CH3
  268837.1232  0.0072 -4.6433 3  615.0150808  595161404501832 1    501733 1      C-13-H3C(O)CH3
  268840.5645  0.0235 -5.3414 3  875.6905856  5951614045346 8 0    5345 9 0      C-13-H3C(O)CH3
  268840.5645  0.0235 -5.3414 3  875.6905856  5951614045346 7 0    5345 8 0      C-13-H3C(O)CH3
  268849.2988  0.0172 -5.7338 3  445.4719324  595161404402515 3    402218 3      C-13-H3C(O)CH3
  268849.3342  0.0340 -5.6424 3  875.7240428  5951614045346 8 3    5345 9 3      C-13-H3C(O)CH3
  268856.2832  0.0152 -6.8221 3  109.5178312  5951614041917 3 1    1914 6 1      C-13-H3C(O)CH3
  268863.1571  0.0137 -5.7342 3  445.4720324  595161404402515 4    402218 4      C-13-H3C(O)CH3
  268869.9259  0.0268 -5.3413 3  875.7086856  5951614045346 8 1    5345 9 1      C-13-H3C(O)CH3
  268870.4948  0.0068 -4.9693 3  174.2995408  5951614042517 9 0    2418 6 0      C-13-H3C(O)CH3
  268871.3603  0.0064 -5.3275 3  194.2267440  595161404271513 0    261610 0      C-13-H3C(O)CH3
  268873.4562  0.0236 -4.9167 3  173.9843520  59516140432 131 2    32 132 2      C-13-H3C(O)CH3
  268873.4562  0.0236 -4.9167 3  173.9843520  59516140432 231 2    32 032 2      C-13-H3C(O)CH3
  268873.4562  0.0236 -6.9485 3  173.9843520  59516140432 131 2    32 032 2      C-13-H3C(O)CH3
  268873.4562  0.0236 -6.9485 3  173.9843520  59516140432 231 2    32 132 2      C-13-H3C(O)CH3
  268873.6538  0.0244 -5.0676 3  173.9847520  59516140432 131 1    32 032 1      C-13-H3C(O)CH3
  268873.6538  0.0244 -5.4364 3  173.9847520  59516140432 131 1    32 132 1      C-13-H3C(O)CH3
  268873.6538  0.0244 -5.4364 3  173.9847520  59516140432 231 1    32 032 1      C-13-H3C(O)CH3
  268873.6538  0.0244 -5.0676 3  173.9847520  59516140432 231 1    32 132 1      C-13-H3C(O)CH3
  268881.6985  0.0174 -6.2164 3  206.2768220  5951614042719 9 4    271612 4      C-13-H3C(O)CH3
  268892.8251  0.0595 -5.8101 3 1154.8861532  595161404663234 3    663135 3      C-13-H3C(O)CH3
  268892.8476  0.0595 -5.8101 3 1154.8861532  595161404663234 4    663135 4      C-13-H3C(O)CH3
  268892.9175  0.0595 -5.8101 3 1154.8861532  595161404663334 3    663235 3      C-13-H3C(O)CH3
  268892.9396  0.0595 -5.8101 3 1154.8861532  595161404663334 4    663235 4      C-13-H3C(O)CH3
  268893.3605  0.0081 -4.9284 3  614.9934404  595161404501932 3    501833 3      C-13-H3C(O)CH3
  268893.3605  0.0081 -4.9285 3  614.9934404  595161404501832 3    501733 3      C-13-H3C(O)CH3
  268893.4296  0.0081 -5.4148 3  614.9934404  595161404501932 4    501733 4      C-13-H3C(O)CH3
  268893.4296  0.0081 -5.0999 3  614.9934404  595161404501932 4    501833 4      C-13-H3C(O)CH3
  268893.4296  0.0081 -5.4173 3  614.9934404  595161404501832 4    501833 4      C-13-H3C(O)CH3
  268893.4296  0.0081 -5.0987 3  614.9934404  595161404501832 4    501733 4      C-13-H3C(O)CH3
  268894.4762  0.0472 -5.7433 3  724.4602380  5951614044745 3 4    4744 4 4      C-13-H3C(O)CH3
  268901.9242  0.0541 -5.5091 3 1154.8680A64  595161404663234 1    663135 1      C-13-H3C(O)CH3
  268902.0105  0.0541 -5.5091 3 1154.8680A64  595161404663334 1    663235 1      C-13-H3C(O)CH3
  268904.7009  0.0340 -5.6424 3  875.7343428  5951614045346 7 4    5345 8 4      C-13-H3C(O)CH3
  268906.8030  0.0329 -5.4424 3  724.4739760  5951614044745 3 1    4744 4 1      C-13-H3C(O)CH3
  268907.4772  0.0587 -5.5090 3 1154.8699A64  595161404663234 2    663135 2      C-13-H3C(O)CH3
  268907.5552  0.0587 -5.5090 3 1154.8699A64  595161404663334 2    663235 2      C-13-H3C(O)CH3
  268916.5933  0.0533 -5.5090 3 1154.8518A64  595161404663234 0    663135 0      C-13-H3C(O)CH3
  268916.6659  0.0533 -5.5090 3 1154.8518A64  595161404663334 0    663235 0      C-13-H3C(O)CH3
  268918.5236  0.0155 -6.8269 3  109.5868312  5951614041917 2 1    1914 5 1      C-13-H3C(O)CH3
  268924.5421  0.0247 -5.3413 3  875.7190856  5951614045346 7 1    5345 8 1      C-13-H3C(O)CH3
  268925.1067  0.0470 -5.7434 3  724.5063380  5951614044745 3 3    4744 3 3      C-13-H3C(O)CH3
  268937.1775  0.0325 -5.4426 3  724.5201760  5951614044745 2 1    4744 3 1      C-13-H3C(O)CH3
  268942.2459  0.0360 -5.4425 3  724.4953760  5951614044745 2 2    4744 3 2      C-13-H3C(O)CH3
  268952.7076  0.0148 -6.8269 3  109.5276312  5951614041917 3 2    1914 6 2      C-13-H3C(O)CH3
  269015.1438  0.0169 -5.1948 3  193.9163536  59516140433 331 0    33 132 0      C-13-H3C(O)CH3
  269015.1438  0.0169 -4.8064 3  193.9163536  59516140433 231 0    33 132 0      C-13-H3C(O)CH3
  269015.1438  0.0169 -5.1948 3  193.9163536  59516140433 231 0    33 232 0      C-13-H3C(O)CH3
  269015.1438  0.0169 -4.8064 3  193.9163536  59516140433 331 0    33 232 0      C-13-H3C(O)CH3
  269135.9030  0.0172 -5.0711 3  901.8085952  595161404592633 0    592534 0      C-13-H3C(O)CH3
  269135.9033  0.0172 -5.0711 3  901.8085952  595161404592733 0    592634 0      C-13-H3C(O)CH3
  269149.9885  0.0488 -5.7430 3  724.4996380  5951614044745 2 3    4744 4 3      C-13-H3C(O)CH3
  269165.9293  0.0190 -5.0709 3  901.8146952  595161404592633 1    592534 1      C-13-H3C(O)CH3
  269165.9298  0.0190 -5.0709 3  901.8146952  595161404592733 1    592634 1      C-13-H3C(O)CH3
  269169.0030  0.0239 -5.0709 3  901.8151952  595161404592633 2    592534 2      C-13-H3C(O)CH3
  269169.0034  0.0239 -5.0709 3  901.8151952  595161404592733 2    592634 2      C-13-H3C(O)CH3
  269181.8463  0.0500 -5.7432 3  724.5457380  5951614044745 2 4    4744 3 4      C-13-H3C(O)CH3
  269192.3551  0.0068 -4.9027 3  156.6118392  595161404241510 2    2316 7 2      C-13-H3C(O)CH3
  269193.3897  0.0111 -6.1523 3  421.9688648  595161404402021 1    392118 1      C-13-H3C(O)CH3
  269199.0948  0.0242 -5.3718 3  901.8213476  595161404592633 3    592534 3      C-13-H3C(O)CH3
  269199.0954  0.0242 -5.3718 3  901.8213476  595161404592733 3    592634 3      C-13-H3C(O)CH3
  269199.2041  0.0244 -5.3718 3  901.8213476  595161404592633 4    592534 4      C-13-H3C(O)CH3
  269199.2046  0.0244 -5.3718 3  901.8213476  595161404592733 4    592634 4      C-13-H3C(O)CH3
  269204.6857  0.0159 -5.5436 3  174.2647204  5951614042517 9 3    2418 6 3      C-13-H3C(O)CH3
  269217.7182  0.0074 -4.9294 3  156.6139392  595161404241510 1    2316 7 1      C-13-H3C(O)CH3
  269241.6368  0.0126 -6.4521 3  421.9392324  595161404402021 4    392118 4      C-13-H3C(O)CH3
  269243.6336  0.0128 -6.4521 3  421.9392324  595161404402021 3    392118 3      C-13-H3C(O)CH3
  269247.8619  0.0095 -6.1509 3  421.9916648  595161404402021 0    392118 0      C-13-H3C(O)CH3
  269285.3231  0.0019 -5.4945 3  115.7359196  59516140424 420 3    23 419 3      C-13-H3C(O)CH3
  269285.3231  0.0019 -5.5104 3  115.7359196  59516140424 520 3    23 519 3      C-13-H3C(O)CH3
  269285.3530  0.0019 -3.9099 3  115.7359196  59516140424 420 4    23 519 4      C-13-H3C(O)CH3
  269285.3530  0.0019 -3.9089 3  115.7359196  59516140424 520 4    23 419 4      C-13-H3C(O)CH3
  269285.4047  0.0019 -7.0214 3  115.7359196 -59516140424 520 4    23 519 4      C-13-H3C(O)CH3
  269285.4047  0.0019 -3.9200 3  115.7359196 -59516140424 520 3    23 419 3      C-13-H3C(O)CH3
  269285.4047  0.0019 -3.9196 3  115.7359196 -59516140424 420 3    23 519 3      C-13-H3C(O)CH3
  269285.4047  0.0019 -6.4559 3  115.7359196 -59516140424 420 4    23 419 4      C-13-H3C(O)CH3
  269292.3911  0.0088 -5.5784 3   30.2426184  59516140411 9 3 0    10 6 4 0      C-13-H3C(O)CH3
  269298.0723  0.0121 -6.1496 3  421.9621648  595161404402021 2    392118 2      C-13-H3C(O)CH3
  269300.0132  0.0133 -4.8389 3   59.9239124  5951614041511 5 4    1410 4 4      C-13-H3C(O)CH3
  269300.7142  0.0144 -6.8315 3  109.5860312  5951614041917 2 2    1914 5 2      C-13-H3C(O)CH3
  269326.1801  0.0114 -5.8685 3  206.2899440  5951614042719 9 1    271612 1      C-13-H3C(O)CH3
  269329.9892  0.0118 -6.3128 3  485.4328696  595161404432023 1    422320 1      C-13-H3C(O)CH3
  269337.1732  0.0021 -6.9251 3  115.7039392 -59516140424 420 1    23 419 1      C-13-H3C(O)CH3
  269337.1732  0.0021 -3.6076 3  115.7039392 -59516140424 520 1    23 419 1      C-13-H3C(O)CH3
  269337.1996  0.0021 -3.6076 3  115.7039392  59516140424 420 1    23 519 1      C-13-H3C(O)CH3
  269337.1996  0.0021 -6.8897 3  115.7039392  59516140424 520 1    23 519 1      C-13-H3C(O)CH3
  269337.6417  0.0020 -6.4481 3  115.7032392  59516140424 420 2    23 419 2      C-13-H3C(O)CH3
  269337.6472  0.0020 -3.6080 3  115.7032392 -59516140424 420 2    23 519 2      C-13-H3C(O)CH3
  269337.6472  0.0020 -3.6075 3  115.7032392 -59516140424 520 2    23 419 2      C-13-H3C(O)CH3
  269338.2039  0.0131 -6.6127 3  485.4074348  595161404432023 3    422320 3      C-13-H3C(O)CH3
  269338.3240  0.0131 -6.6127 3  485.4074348  595161404432023 4    422320 4      C-13-H3C(O)CH3
  269350.7959  0.0039 -4.8574 3  156.6108392  595161404241510 0    2316 7 0      C-13-H3C(O)CH3
  269355.7802  0.0229 -5.5676 3  173.9158520  59516140432 231 0    32 132 0      C-13-H3C(O)CH3
  269355.7802  0.0229 -5.0188 3  173.9158520  59516140432 231 0    32 032 0      C-13-H3C(O)CH3
  269355.7802  0.0229 -5.5676 3  173.9158520  59516140432 131 0    32 032 0      C-13-H3C(O)CH3
  269355.7802  0.0229 -5.0188 3  173.9158520  59516140432 131 0    32 132 0      C-13-H3C(O)CH3
  269373.3726  0.0101 -6.3119 3  485.4539696  595161404432023 0    422320 0      C-13-H3C(O)CH3
  269382.0257  0.0128 -6.3107 3  485.4286696  595161404432023 2    422320 2      C-13-H3C(O)CH3
  269389.3859  0.0018 -3.6074 3  115.6714392  59516140424 420 0    23 519 0      C-13-H3C(O)CH3
  269389.4164  0.0018 -3.6074 3  115.6714392 -59516140424 520 0    23 419 0      C-13-H3C(O)CH3
  269470.7177  0.0120 -6.0848 3  206.2769220  5951614042719 9 3    271612 3      C-13-H3C(O)CH3
  269494.2838  0.0257 -5.4292 3  494.0219680  595161404422715 0    422418 0      C-13-H3C(O)CH3
  269511.4206  0.0205 -5.6799 3  159.4433196  5951614042416 8 4    2317 7 4      C-13-H3C(O)CH3
  269535.4284  0.0130 -5.5961 3  174.2537204  5951614042517 9 3    2418 7 3      C-13-H3C(O)CH3
  269536.3284  0.0174 -6.8517 3  142.7847360  5951614042218 5 1    2215 7 1      C-13-H3C(O)CH3
  269545.0443  0.0054 -5.1660 3  156.5992196  595161404241510 3    2316 7 3      C-13-H3C(O)CH3
  269557.0903  0.0155 -6.8201 3  109.5590312  5951614041917 2 0    1914 5 0      C-13-H3C(O)CH3
  269584.6145  0.0898 -6.0812 3 1241.2159524  595161404654917 4    654818 4      C-13-H3C(O)CH3
  269586.8051  0.0058 -4.7263 3  585.0450792  595161404491832 0    491733 0      C-13-H3C(O)CH3
  269586.8051  0.0058 -5.1459 3  585.0450792  595161404491832 0    491633 0      C-13-H3C(O)CH3
  269586.8051  0.0058 -5.1459 3  585.0450792  595161404491732 0    491733 0      C-13-H3C(O)CH3
  269586.8051  0.0058 -4.7263 3  585.0450792  595161404491732 0    491633 0      C-13-H3C(O)CH3
  269600.1085  0.0093 -5.1739 3  174.2626408  5951614042517 9 2    2418 7 2      C-13-H3C(O)CH3
  269630.2325  0.0330 -5.5676 3  702.4759744  5951614044645 1 0    4644 3 0      C-13-H3C(O)CH3
  269630.2325  0.0330 -5.5676 3  702.4759744  5951614044645 2 0    4644 2 0      C-13-H3C(O)CH3
  269638.4001  0.0072 -6.2172 3  585.0207792  595161404491732 2    491733 2      C-13-H3C(O)CH3
  269638.4001  0.0072 -4.5962 3  585.0207792  595161404491732 2    491633 2      C-13-H3C(O)CH3
  269638.4001  0.0072 -6.2172 3  585.0207792  595161404491832 2    491633 2      C-13-H3C(O)CH3
  269638.4001  0.0072 -4.5962 3  585.0207792  595161404491832 2    491733 2      C-13-H3C(O)CH3
  269639.6000  0.0067 -4.5972 3  585.0215792  595161404491732 1    491733 1      C-13-H3C(O)CH3
  269639.6000  0.0067 -6.1778 3  585.0215792  595161404491732 1    491633 1      C-13-H3C(O)CH3
  269639.6000  0.0067 -4.5972 3  585.0215792  595161404491832 1    491633 1      C-13-H3C(O)CH3
  269639.6000  0.0067 -6.1778 3  585.0215792  595161404491832 1    491733 1      C-13-H3C(O)CH3
  269647.8218  0.0928 -6.0811 3 1241.2552524  595161404654917 3    654818 3      C-13-H3C(O)CH3
  269657.4904  0.0285 -6.4553 3  240.9676236  5951614042921 9 4    291811 4      C-13-H3C(O)CH3
  269661.6266  0.0406 -5.5674 3  702.4564744  5951614044645 2 2    4644 3 2      C-13-H3C(O)CH3
  269691.2745  0.0075 -5.6222 3  584.9971396  595161404491732 3    491633 3      C-13-H3C(O)CH3
  269691.2745  0.0075 -4.9546 3  584.9971396  595161404491832 3    491633 3      C-13-H3C(O)CH3
  269691.2745  0.0075 -5.7264 3  584.9971396  595161404491832 3    491733 3      C-13-H3C(O)CH3
  269691.2745  0.0075 -4.9750 3  584.9971396  595161404491732 3    491733 3      C-13-H3C(O)CH3
  269691.3155  0.0075 -4.8888 3  584.9970396  595161404491732 4    491733 4      C-13-H3C(O)CH3
  269691.3155  0.0075 -4.8888 3  584.9970396  595161404491832 4    491633 4      C-13-H3C(O)CH3
  269718.2007  0.0883 -6.0810 3 1241.2555524  595161404654916 3    654817 3      C-13-H3C(O)CH3
  269740.5156  0.0118 -6.3114 3  485.4191696  595161404432123 1    422220 1      C-13-H3C(O)CH3
  269765.9099  0.0138 -6.6112 3  485.3931348  595161404432123 4    422220 4      C-13-H3C(O)CH3
  269766.5952  0.0138 -6.6112 3  485.3932348  595161404432123 3    422220 3      C-13-H3C(O)CH3
  269766.6121  0.0249 -5.4305 3  493.9996680  595161404422715 1    422418 1      C-13-H3C(O)CH3
  269776.3444  0.0102 -6.3105 3  485.4405696  595161404432123 0    422220 0      C-13-H3C(O)CH3
  269780.9631  0.0929 -6.0809 3 1241.2948524  595161404654916 4    654817 4      C-13-H3C(O)CH3
  269801.0199  0.0027 -5.7226 3   58.0353124  5951614041510 6 4    14 9 6 4      C-13-H3C(O)CH3
  269802.4167  0.0133 -6.3092 3  485.4146696  595161404432123 2    422220 2      C-13-H3C(O)CH3
  269803.2523  0.0087 -5.9295 3   30.3028184  59516140411 9 2 1    10 6 4 1      C-13-H3C(O)CH3
  269806.5549  0.0833 -5.7796 3 1241.2096A48  595161404654917 2    654818 2      C-13-H3C(O)CH3
  269828.0942  0.3583 -6.8440 3 1689.0415620  595161404775325 4    775226 4      C-13-H3C(O)CH3
  269830.5422  0.0768 -5.7796 3 1241.2051A48  595161404654917 1    654818 1      C-13-H3C(O)CH3
  269839.8736  0.0111 -5.8220 3  206.2849440  5951614042719 9 2    271612 2      C-13-H3C(O)CH3
  269877.2631  0.0390 -5.5670 3  702.4798744  5951614044645 2 1    4644 3 1      C-13-H3C(O)CH3
  269880.3430  0.0083 -5.1274 3  174.2483408  5951614042517 9 1    2418 7 1      C-13-H3C(O)CH3
  269890.0208  0.0392 -5.5673 3  702.5320744  5951614044645 1 1    4644 2 1      C-13-H3C(O)CH3
  269893.4537  0.0845 -5.7795 3 1241.2443A48  595161404654916 1    654817 1      C-13-H3C(O)CH3
  269901.2401  0.0086 -5.9399 3   30.2994184  59516140411 9 2 2    10 6 4 2      C-13-H3C(O)CH3
  269908.5963  0.0559 -5.8678 3  702.4602372  5951614044645 2 4    4644 3 4      C-13-H3C(O)CH3
  269919.1528  0.0690 -7.0330 3  581.3432744  595161404462720 2    453015 2      C-13-H3C(O)CH3
  269921.6243  0.0562 -5.8680 3  702.5125372  5951614044645 2 3    4644 2 3      C-13-H3C(O)CH3
  269933.4050  0.0455 -5.5671 3  702.5061744  5951614044645 1 2    4644 2 2      C-13-H3C(O)CH3
  269939.6834  0.0853 -5.7794 3 1241.2492A48  595161404654916 2    654817 2      C-13-H3C(O)CH3
  269941.7938  0.3294 -6.8439 3 1689.0716620  595161404775325 3    775226 3      C-13-H3C(O)CH3
  269954.5522  0.0208 -6.9806 3  142.7797180  5951614042218 5 3    2215 7 3      C-13-H3C(O)CH3
  269968.8562  0.4194 -6.5426 3 1689.0506C40  595161404775325 1    775226 1      C-13-H3C(O)CH3
  269976.3672  0.0185 -6.1753 3  240.9859472  5951614042921 9 1    291811 1      C-13-H3C(O)CH3
  270039.3247  0.0493 -5.7408 3  989.5088460  595161404574710 4    574611 4      C-13-H3C(O)CH3
  270046.7277  0.0154 -6.8189 3  109.5427312  5951614041917 3 0    1914 6 0      C-13-H3C(O)CH3
  270051.7105  0.0169 -6.7924 3  142.7819360  5951614042218 5 2    2215 7 2      C-13-H3C(O)CH3
  270051.9563  0.0860 -5.7790 3 1241.1988A48  595161404654916 0    654817 0      C-13-H3C(O)CH3
  270051.9586  0.0860 -5.7790 3 1241.1988A48  595161404654917 0    654818 0      C-13-H3C(O)CH3
  270062.3947  0.0436 -5.7408 3  989.4847460  595161404574711 3    574612 3      C-13-H3C(O)CH3
  270063.8674  0.3166 -6.8437 3 1689.0791620  595161404775324 3    775225 3      C-13-H3C(O)CH3
  270064.8523  0.1842 -6.5472 3 1558.9627612  595161404764036 4    763937 4      C-13-H3C(O)CH3
  270064.9135  0.1842 -6.5472 3 1558.9627612  595161404764036 3    763937 3      C-13-H3C(O)CH3
  270067.7034  0.0022 -5.9233 3   58.0009248  5951614041510 6 1    14 9 6 1      C-13-H3C(O)CH3
  270074.0893  0.0256 -5.3415 3  850.7357840  5951614045246 7 2    5245 8 2      C-13-H3C(O)CH3
  270076.3785  0.0440 -5.7408 3  989.4980460  595161404574710 3    574611 3      C-13-H3C(O)CH3
  270078.7465  0.1828 -6.5471 3 1558.9628612  595161404764136 4    764037 4      C-13-H3C(O)CH3
  270078.8166  0.1828 -6.5471 3 1558.9628612  595161404764136 3    764037 3      C-13-H3C(O)CH3
  270094.7136  0.1827 -6.2460 3 1558.9517C24  595161404764036 1    763937 1      C-13-H3C(O)CH3
  270096.8356  0.0024 -6.0605 3   58.0002248  5951614041510 6 2    14 9 6 2      C-13-H3C(O)CH3
  270098.4173  0.0256 -6.5603 3  240.9681236  5951614042921 9 3    291811 3      C-13-H3C(O)CH3
  270099.1791  0.0368 -5.4397 3  989.4800920  595161404574710 2    574611 2      C-13-H3C(O)CH3
  270099.6699  0.0437 -5.7408 3  989.4738460  595161404574711 4    574612 4      C-13-H3C(O)CH3
  270105.7221  0.1865 -6.2460 3 1558.9554C24  595161404764036 2    763937 2      C-13-H3C(O)CH3
  270108.5622  0.1832 -6.2460 3 1558.9518C24  595161404764136 1    764037 1      C-13-H3C(O)CH3
  270108.7013  0.0185 -6.8699 3  142.7797180  5951614042218 4 3    2215 7 3      C-13-H3C(O)CH3
  270113.9715  0.0080 -5.7410 3  206.2979440  5951614042719 9 0    271612 0      C-13-H3C(O)CH3
  270118.3603  0.1852 -6.2460 3 1558.9554C24  595161404764136 2    764037 2      C-13-H3C(O)CH3
  270122.5137  0.0340 -5.4396 3  989.4559920  595161404574711 2    574612 2      C-13-H3C(O)CH3
  270134.9498  0.0366 -5.4335 3  493.9878680  595161404422715 2    422418 2      C-13-H3C(O)CH3
  270135.4610  0.1836 -6.2459 3 1558.9444C24  595161404764036 0    763937 0      C-13-H3C(O)CH3
  270137.3676  0.0348 -5.6424 3  850.7514420  5951614045246 7 4    5245 8 4      C-13-H3C(O)CH3
  270148.0465  0.1841 -6.2458 3 1558.9445C24  595161404764136 0    764037 0      C-13-H3C(O)CH3
  270164.3389  0.3952 -6.5422 3 1689.0385C40  595161404775325 2    775226 2      C-13-H3C(O)CH3
  270177.2827  0.3165 -6.8434 3 1689.1093620  595161404775324 4    775225 4      C-13-H3C(O)CH3
  270181.5690  0.0597 -5.8675 3  702.5099372  5951614044645 1 3    4644 3 3      C-13-H3C(O)CH3
  270190.5799  0.0311 -5.6424 3  850.7679420  5951614045246 6 3    5245 7 3      C-13-H3C(O)CH3
  270193.3111  0.0237 -5.3414 3  850.7214840  5951614045246 6 0    5245 7 0      C-13-H3C(O)CH3
  270193.3111  0.0237 -5.3414 3  850.7214840  5951614045246 7 0    5245 8 0      C-13-H3C(O)CH3
  270195.7959  0.0603 -5.8677 3  702.5622372  5951614044645 1 4    4644 2 4      C-13-H3C(O)CH3
  270199.1197  0.0357 -5.4394 3  989.4717920  595161404574710 1    574611 1      C-13-H3C(O)CH3
  270204.2532  0.4145 -6.5422 3 1689.0883C40  595161404775324 1    775225 1      C-13-H3C(O)CH3
  270213.9749  0.1055 -6.1596 3 1349.9479572  595161404713635 4    713536 4      C-13-H3C(O)CH3
  270214.0068  0.1055 -6.1596 3 1349.9478572  595161404713635 3    713536 3      C-13-H3C(O)CH3
  270215.2346  0.1054 -6.1596 3 1349.9479572  595161404713735 4    713636 4      C-13-H3C(O)CH3
  270215.2692  0.1054 -6.1596 3 1349.9479572  595161404713735 3    713636 3      C-13-H3C(O)CH3
  270223.7263  0.0259 -5.3414 3  850.7376840  5951614045246 6 2    5245 7 2      C-13-H3C(O)CH3
  270234.3486  0.0094 -6.1939 3   30.3606 92  59516140411 9 2 4    10 6 4 4      C-13-H3C(O)CH3
  270236.1673  0.0343 -5.4395 3  989.4608920  595161404574711 1    574612 1      C-13-H3C(O)CH3
  270237.6016  0.0114 -7.0823 3  206.2769220  5951614042719 8 3    271612 3      C-13-H3C(O)CH3
  270241.1492  0.1035 -5.8585 3 1349.9305B44  595161404713635 1    713536 1      C-13-H3C(O)CH3
  270242.3726  0.1035 -5.8585 3 1349.9305B44  595161404713735 1    713636 1      C-13-H3C(O)CH3
  270248.4065  0.1061 -5.8585 3 1349.9335B44  595161404713635 2    713536 2      C-13-H3C(O)CH3
  270249.5132  0.1060 -5.8585 3 1349.9335B44  595161404713735 2    713636 2      C-13-H3C(O)CH3
  270257.4833  0.0260 -5.3412 3  850.7371840  5951614045246 7 1    5245 8 1      C-13-H3C(O)CH3
  270258.3059  0.0287 -5.4393 3  989.4428920  595161404574710 0    574612 0      C-13-H3C(O)CH3
  270258.3059  0.0287 -5.4393 3  989.4428920  595161404574711 0    574611 0      C-13-H3C(O)CH3
  270275.5241  0.1037 -5.8584 3 1349.9162B44  595161404713635 0    713536 0      C-13-H3C(O)CH3
  270276.5960  0.1038 -5.8584 3 1349.9162B44  595161404713735 0    713636 0      C-13-H3C(O)CH3
  270277.7121  0.3855 -6.5420 3 1689.0686C40  595161404775324 2    775225 2      C-13-H3C(O)CH3
  270287.0795  0.0334 -5.6422 3  850.7532420  5951614045246 7 3    5245 8 3      C-13-H3C(O)CH3
  270301.7007  0.4540 -6.5419 3 1689.0478C40  595161404775324 0    775225 0      C-13-H3C(O)CH3
  270308.9155  0.4538 -6.5419 3 1689.0475C40  595161404775325 0    775226 0      C-13-H3C(O)CH3
  270310.5745  0.0240 -5.3413 3  850.7536840  5951614045246 6 1    5245 7 1      C-13-H3C(O)CH3
  270341.1283  0.0337 -5.6423 3  850.7697420  5951614045246 6 4    5245 7 4      C-13-H3C(O)CH3
  270341.8641  0.0325 -5.7322 3  493.9654340  595161404422715 3    422418 3      C-13-H3C(O)CH3
  270346.6275  0.0053 -4.5898 3  555.6332776 -595161404481632 0    481633 0      C-13-H3C(O)CH3
  270346.6275  0.0053 -5.5770 3  555.6332776 -595161404481732 0    481633 0      C-13-H3C(O)CH3
  270346.6281  0.0053 -5.5770 3  555.6332776  595161404481632 0    481533 0      C-13-H3C(O)CH3
  270346.6281  0.0053 -4.5898 3  555.6332776  595161404481732 0    481533 0      C-13-H3C(O)CH3
  270356.5550  0.0021 -6.3854 3  118.9172204  59516140425 422 3    24 321 3      C-13-H3C(O)CH3
  270356.5550  0.0021 -6.0562 3  118.9172204  59516140425 322 3    24 421 3      C-13-H3C(O)CH3
  270356.5880  0.0021 -3.9705 3  118.9173204  59516140425 322 4    24 321 4      C-13-H3C(O)CH3
  270356.5880  0.0021 -4.5245 3  118.9173204  59516140425 422 4    24 321 4      C-13-H3C(O)CH3
  270356.6171  0.0021 -4.5245 3  118.9173204 -59516140425 322 4    24 421 4      C-13-H3C(O)CH3
  270356.6171  0.0021 -3.9705 3  118.9173204 -59516140425 422 4    24 421 4      C-13-H3C(O)CH3
  270356.6171  0.0021 -3.8648 3  118.9172204 -59516140425 322 3    24 321 3      C-13-H3C(O)CH3
  270356.6171  0.0021 -3.8663 3  118.9172204 -59516140425 422 3    24 421 3      C-13-H3C(O)CH3
  270378.4606  0.0184 -6.4014 3  193.1521212  5951614042619 8 4    261611 4      C-13-H3C(O)CH3
  270379.2830  0.0592 -5.8912 3 1111.2829492  595161404614814 4    614715 4      C-13-H3C(O)CH3
  270381.2681  0.0595 -5.8912 3 1111.3109492  595161404614814 3    614715 3      C-13-H3C(O)CH3
  270391.1689  0.0066 -4.6070 3  555.6065776  595161404481732 2    481533 2      C-13-H3C(O)CH3
  270391.1689  0.0066 -5.4358 3  555.6065776  595161404481732 2    481633 2      C-13-H3C(O)CH3
  270391.1689  0.0066 -5.4358 3  555.6065776  595161404481632 2    481533 2      C-13-H3C(O)CH3
  270391.1689  0.0066 -4.6070 3  555.6065776  595161404481632 2    481633 2      C-13-H3C(O)CH3
  270392.6019  0.0064 -6.1160 3  555.6073776 -595161404481632 1    481533 1      C-13-H3C(O)CH3
  270392.6019  0.0064 -6.1160 3  555.6073776 -595161404481732 1    481633 1      C-13-H3C(O)CH3
  270392.7119  0.0064 -4.5588 3  555.6073776  595161404481732 1    481533 1      C-13-H3C(O)CH3
  270392.7119  0.0064 -4.5588 3  555.6073776  595161404481632 1    481633 1      C-13-H3C(O)CH3
  270399.4378  0.0022 -3.5629 3  118.8791408  59516140425 422 1    24 321 1      C-13-H3C(O)CH3
  270399.4378  0.0022 -3.5629 3  118.8791408  59516140425 322 1    24 421 1      C-13-H3C(O)CH3
  270399.5643  0.0022 -6.4685 3  118.8791408 -59516140425 422 1    24 421 1      C-13-H3C(O)CH3
  270399.5643  0.0022 -6.9884 3  118.8785408 -59516140425 422 2    24 321 2      C-13-H3C(O)CH3
  270399.5643  0.0022 -6.4685 3  118.8791408 -59516140425 322 1    24 321 1      C-13-H3C(O)CH3
  270399.5643  0.0022 -6.0020 3  118.8785408 -59516140425 322 2    24 421 2      C-13-H3C(O)CH3
  270399.7004  0.0022 -3.5625 3  118.8785408  59516140425 322 2    24 321 2      C-13-H3C(O)CH3
  270399.7004  0.0022 -3.5639 3  118.8785408  59516140425 422 2    24 421 2      C-13-H3C(O)CH3
  270406.7258  0.0145 -5.0104 3  866.6272936  595161404582533 0    582434 0      C-13-H3C(O)CH3
  270406.7259  0.0145 -5.0104 3  866.6272936  595161404582633 0    582534 0      C-13-H3C(O)CH3
  270413.3127  0.0110 -5.3647 3  174.2123204  5951614042517 9 4    2418 7 4      C-13-H3C(O)CH3
  270437.3237  0.0070 -5.7869 3  555.5806388  595161404481732 3    481533 3      C-13-H3C(O)CH3
  270437.3237  0.0070 -5.7869 3  555.5806388  595161404481632 3    481633 3      C-13-H3C(O)CH3
  270437.3309  0.0070 -5.9071 3  555.5806388  595161404481632 4    481633 4      C-13-H3C(O)CH3
  270437.3309  0.0070 -5.9071 3  555.5806388  595161404481732 4    481533 4      C-13-H3C(O)CH3
  270437.3309  0.0070 -4.8874 3  555.5806388  595161404481732 4    481633 4      C-13-H3C(O)CH3
  270437.3309  0.0070 -4.8874 3  555.5806388  595161404481632 4    481533 4      C-13-H3C(O)CH3
  270437.4770  0.0070 -4.9008 3  555.5806388 -595161404481632 3    481533 3      C-13-H3C(O)CH3
  270437.4770  0.0070 -4.9008 3  555.5806388 -595161404481732 3    481633 3      C-13-H3C(O)CH3
  270442.4719  0.0019 -3.5626 3  118.8404408  59516140425 422 0    24 421 0      C-13-H3C(O)CH3
  270442.4719  0.0019 -3.5626 3  118.8404408  59516140425 322 0    24 321 0      C-13-H3C(O)CH3
  270442.5379  0.0019 -6.6021 3  118.8404408 -59516140425 422 0    24 321 0      C-13-H3C(O)CH3
  270442.5379  0.0019 -6.6021 3  118.8404408 -59516140425 322 0    24 421 0      C-13-H3C(O)CH3
  270443.8211  0.0628 -5.8911 3 1111.3184492  595161404614813 3    614714 3      C-13-H3C(O)CH3
  270444.0018  0.0163 -5.0102 3  866.6306936  595161404582533 1    582434 1      C-13-H3C(O)CH3
  270444.0020  0.0163 -5.0102 3  866.6306936  595161404582633 1    582534 1      C-13-H3C(O)CH3
  270445.5982  0.0679 -5.8911 3 1111.3465492  595161404614813 4    614714 4      C-13-H3C(O)CH3
  270446.6642  0.0208 -5.0101 3  866.6309936  595161404582533 2    582434 2      C-13-H3C(O)CH3
  270446.6643  0.0208 -5.0101 3  866.6309936  595161404582633 2    582534 2      C-13-H3C(O)CH3
  270448.2152  0.0386 -6.9882 3  581.3294744  595161404462720 1    453015 1      C-13-H3C(O)CH3
  270465.4213  0.0384 -5.7392 3  493.9656340  595161404422715 4    422418 4      C-13-H3C(O)CH3
  270484.0120  0.0209 -5.3110 3  866.6344468  595161404582533 3    582434 3      C-13-H3C(O)CH3
  270484.0122  0.0209 -5.3110 3  866.6344468  595161404582633 3    582534 3      C-13-H3C(O)CH3
  270484.1309  0.0211 -5.3110 3  866.6344468  595161404582533 4    582434 4      C-13-H3C(O)CH3
  270484.1311  0.0211 -5.3110 3  866.6344468  595161404582633 4    582534 4      C-13-H3C(O)CH3
  270489.4082  0.0405 -5.8184 3  680.9782728  5951614044545 1 0    4544 1 0      C-13-H3C(O)CH3
  270489.4082  0.0405 -5.8184 3  680.9782728  5951614044545 0 0    4544 2 0      C-13-H3C(O)CH3
  270501.5035  0.0247 -6.2911 3  240.9681236  5951614042921 8 3    291811 3      C-13-H3C(O)CH3
  270507.1546  0.0492 -5.5898 3 1111.2726984  595161404614814 2    614715 2      C-13-H3C(O)CH3
  270530.2291  0.0363 -6.9151 3  351.5343536  5951614043331 2 1    3232 0 1      C-13-H3C(O)CH3
  270547.6719  0.1250 -6.2488 3 1346.2394548  595161404685019 4    684920 4      C-13-H3C(O)CH3
  270569.3752  0.0487 -5.8180 3  680.9534728  5951614044545 1 2    4544 2 2      C-13-H3C(O)CH3
  270571.3010  0.0541 -5.5897 3 1111.3081984  595161404614813 2    614714 2      C-13-H3C(O)CH3
  270593.0629  0.0487 -5.5897 3 1111.2709984  595161404614814 1    614715 1      C-13-H3C(O)CH3
  270594.9144  0.0492 -5.5897 3 1111.2989984  595161404614813 1    614714 1      C-13-H3C(O)CH3
  270615.7349  0.0071 -6.3626 3  128.6709180  595161404221310 4    221013 4      C-13-H3C(O)CH3
  270623.8773  0.0107 -6.3346 3  206.2899440  5951614042719 8 1    271612 1      C-13-H3C(O)CH3
  270627.2529  0.0054 -6.3626 3  128.6709180  595161404221310 3    221013 3      C-13-H3C(O)CH3
  270644.5572  0.0117 -5.7254 3  272.1984520  595161404321716 1    311813 1      C-13-H3C(O)CH3
  270651.2051  0.1297 -6.2486 3 1346.2835548  595161404685018 3    684919 3      C-13-H3C(O)CH3
  270663.6093  0.0139 -6.0255 3  272.1736260  595161404321716 4    311813 4      C-13-H3C(O)CH3
  270672.5735  0.0141 -6.0256 3  272.1733260  595161404321716 3    311813 3      C-13-H3C(O)CH3
  270682.4985  0.0519 -5.7368 3 1115.7232524  595161404653134 3    653035 3      C-13-H3C(O)CH3
  270682.5315  0.0519 -5.7368 3 1115.7232524  595161404653234 3    653135 3      C-13-H3C(O)CH3
  270682.5360  0.0519 -5.7368 3 1115.7232524  595161404653134 4    653035 4      C-13-H3C(O)CH3
  270682.5688  0.0519 -5.7368 3 1115.7232524  595161404653234 4    653135 4      C-13-H3C(O)CH3
  270685.2969  0.0461 -5.4358 3 1115.7058A48  595161404653134 1    653035 1      C-13-H3C(O)CH3
  270685.3273  0.0461 -5.4358 3 1115.7058A48  595161404653234 1    653135 1      C-13-H3C(O)CH3
  270690.4612  0.0509 -5.4358 3 1115.7075A48  595161404653134 2    653035 2      C-13-H3C(O)CH3
  270690.4885  0.0509 -5.4358 3 1115.7075A48  595161404653234 2    653135 2      C-13-H3C(O)CH3
  270693.2865  0.0451 -5.4357 3 1115.6901A48  595161404653134 0    653035 0      C-13-H3C(O)CH3
  270693.3117  0.0451 -5.4357 3 1115.6901A48  595161404653234 0    653135 0      C-13-H3C(O)CH3
  270701.4689  0.0354 -6.9135 3  351.5607536  5951614043331 2 0    3232 0 0      C-13-H3C(O)CH3
  270701.4689  0.0354 -6.9135 3  351.5607536  5951614043331 3 0    3232 1 0      C-13-H3C(O)CH3
  270701.5945  0.1150 -6.2485 3 1346.2794548  595161404685019 3    684920 3      C-13-H3C(O)CH3
  270713.7618  0.7292 -6.9302 3 1900.5084D20  595161404825528 1    825429 1      C-13-H3C(O)CH3
  270720.1885  0.0447 -5.5893 3 1111.2606984  595161404614814 0    614715 0      C-13-H3C(O)CH3
  270720.1885  0.0447 -5.5893 3 1111.2606984  595161404614813 0    614714 0      C-13-H3C(O)CH3
  270745.4973  0.0053 -6.0582 3  128.6584360  595161404221310 2    221013 2      C-13-H3C(O)CH3
  270757.9054  0.2487 -6.6306 3 1570.1383596  595161404745223 4    745124 4      C-13-H3C(O)CH3
  270763.2122  0.0106 -6.5182 3  206.2849440  5951614042719 8 2    271612 2      C-13-H3C(O)CH3
  270768.0780  0.0471 -5.8180 3  681.0403728  5951614044545 0 1    4544 1 1      C-13-H3C(O)CH3
  270776.1549  0.0465 -5.8177 3  680.9822728  5951614044545 1 1    4544 2 1      C-13-H3C(O)CH3
  270784.5603  0.0041 -5.7457 3   21.8241 92  59516140411 3 8 3    10 2 9 3      C-13-H3C(O)CH3
  270784.8595  0.0051 -5.7457 3   21.8241 92  59516140411 3 8 4    10 2 9 4      C-13-H3C(O)CH3
  270789.0775  0.1167 -5.9472 3 1346.2323A96  595161404685019 1    684920 1      C-13-H3C(O)CH3
  270789.8901  0.0041 -5.7457 3   21.8241 92  59516140411 4 8 3    10 1 9 3      C-13-H3C(O)CH3
  270790.1134  0.0051 -5.7457 3   21.8241 92  59516140411 4 8 4    10 1 9 4      C-13-H3C(O)CH3
  270793.3603  0.0053 -6.0591 3  128.6607360  595161404221310 1    221013 1      C-13-H3C(O)CH3
  270804.6666  0.1226 -6.2484 3 1346.3236548  595161404685018 4    684919 4      C-13-H3C(O)CH3
  270818.8981  0.1249 -5.9471 3 1346.2360A96  595161404685019 2    684920 2      C-13-H3C(O)CH3
  270829.3749  0.0179 -6.0412 3  240.9859472  5951614042921 8 1    291811 1      C-13-H3C(O)CH3
  270830.5027  0.0148 -6.5255 3  206.2768220  5951614042719 8 4    271612 4      C-13-H3C(O)CH3
  270833.8179  0.0104 -5.1959 3  209.7918440  5951614042720 8 0    2621 5 0      C-13-H3C(O)CH3
  270835.8546  0.0065 -6.4878 3  115.4849172  595161404211110 3    21 813 3      C-13-H3C(O)CH3
  270847.7887  0.0091 -6.4877 3  115.4850172  595161404211110 4    21 813 4      C-13-H3C(O)CH3
  270848.6791  0.0663 -6.1186 3  681.0154364  5951614044545 1 3    4544 2 3      C-13-H3C(O)CH3
  270850.8911  0.0194 -6.2249 3  240.9727472  5951614042921 9 2    291811 2      C-13-H3C(O)CH3
  270853.4742  0.0571 -5.8177 3  681.0139728  5951614044545 0 2    4544 1 2      C-13-H3C(O)CH3
  270856.5452  0.0661 -6.1183 3  680.9573364  5951614044545 1 4    4544 2 4      C-13-H3C(O)CH3
  270864.7532  0.0351 -6.9140 3  351.5117536  5951614043331 2 2    3232 0 2      C-13-H3C(O)CH3
  270876.3850  0.0084 -4.2223 3   59.8719248 -5951614041511 5 1    1410 4 1      C-13-H3C(O)CH3
  270890.0665  0.0064 -6.1833 3  115.4670344  595161404211110 2    21 813 2      C-13-H3C(O)CH3
  270891.3205  0.0105 -5.1957 3  209.7917440  5951614042720 7 0    2621 6 0      C-13-H3C(O)CH3
  270892.2844  0.1338 -5.9470 3 1346.2764A96  595161404685018 1    684919 1      C-13-H3C(O)CH3
  270902.1712  0.2152 -6.6304 3 1570.1728596  595161404745223 3    745124 3      C-13-H3C(O)CH3
  270916.9055  0.0053 -6.0556 3  128.6483360  595161404221310 0    221013 0      C-13-H3C(O)CH3
  270942.4670  0.2799 -6.3292 3 1570.1412B92  595161404745223 1    745124 1      C-13-H3C(O)CH3
  270946.6077  0.0095 -5.7213 3  272.2078520  595161404321716 0    311813 0      C-13-H3C(O)CH3
  270949.9602  0.2356 -6.6303 3 1570.1814596  595161404745222 3    745123 3      C-13-H3C(O)CH3
  270953.5422  0.0279 -6.3641 3  323.9310520  5951614043229 3 1    3130 1 1      C-13-H3C(O)CH3
  270957.2946  0.6544 -6.9297 3 1900.4838D20  595161404825528 2    825429 2      C-13-H3C(O)CH3
  270959.3300  0.0092 -5.1952 3  209.7813440  5951614042720 7 2    2621 5 2      C-13-H3C(O)CH3
  270963.1562  0.0399 -6.9132 3  351.4812536  5951614043331 3 1    3232 1 1      C-13-H3C(O)CH3
  270963.9949  0.1753 -6.4321 3 1455.8758572  595161404715121 4    715022 4      C-13-H3C(O)CH3
  270972.4216  0.1255 -5.9468 3 1346.2761A96  595161404685018 2    684919 2      C-13-H3C(O)CH3
  270974.2157  0.0255 -6.3595 3  240.9676236  5951614042921 8 4    291811 4      C-13-H3C(O)CH3
  270974.9792  0.0112 -5.7203 3  272.1827520  595161404321716 2    311813 2      C-13-H3C(O)CH3
  270981.4134  0.6560 -6.9297 3 1900.5345D20  595161404825527 1    825428 1      C-13-H3C(O)CH3
  270983.3517  0.6583 -6.9297 3 1900.5075D20  595161404825527 2    825428 2      C-13-H3C(O)CH3
  270996.8543  0.7181 -6.9289 3 1900.5058D20  595161404825527 0    825428 0      C-13-H3C(O)CH3
  271002.1963  0.0284 -6.3629 3  323.9733520  5951614043229 4 0    3130 2 0      C-13-H3C(O)CH3
  271002.1963  0.0284 -6.3629 3  323.9733520  5951614043229 3 0    3130 1 0      C-13-H3C(O)CH3
  271007.2271  0.0302 -6.9123 3  581.3245744  595161404462720 0    453015 0      C-13-H3C(O)CH3
  271018.4375  0.0063 -6.1841 3  115.4689344  595161404211110 1    21 813 1      C-13-H3C(O)CH3
  271034.0777  0.0310 -7.0632 3  806.7913904  595161404562432 1    552729 1      C-13-H3C(O)CH3
  271034.2371  0.0310 -7.0632 3  806.7913904  595161404562532 1    552629 1      C-13-H3C(O)CH3
  271037.0530  0.0349 -7.0623 3  806.7913904  595161404562432 2    552729 2      C-13-H3C(O)CH3
  271037.2095  0.0349 -7.0623 3  806.7913904  595161404562532 2    552629 2      C-13-H3C(O)CH3
  271047.8807  0.0266 -7.0638 3  806.7906904  595161404562432 0    552729 0      C-13-H3C(O)CH3
  271048.0209  0.0266 -7.0638 3  806.7906904  595161404562532 0    552629 0      C-13-H3C(O)CH3
  271055.1533  0.0121 -6.0885 3  193.1628424  5951614042619 8 1    261611 1      C-13-H3C(O)CH3
  271056.6332  0.7160 -6.9287 3 1900.5035D20  595161404825528 0    825429 0      C-13-H3C(O)CH3
  271059.9627  0.1389 -5.9465 3 1346.2290A96  595161404685018 0    684919 0      C-13-H3C(O)CH3
  271059.9840  0.1389 -5.9465 3 1346.2290A96  595161404685019 0    684920 0      C-13-H3C(O)CH3
  271062.8298  0.0049 -4.5925 3  526.8016760  595161404471532 0    471433 0      C-13-H3C(O)CH3
  271062.8298  0.0049 -5.2782 3  526.8016760  595161404471632 0    471433 0      C-13-H3C(O)CH3
  271062.8451  0.0049 -4.5133 3  526.8016760 -595161404471632 0    471533 0      C-13-H3C(O)CH3
  271062.8451  0.0049 -6.7973 3  526.8016760 -595161404471532 0    471533 0      C-13-H3C(O)CH3
  271064.4414  0.0053 -5.4431 3   21.7554184  59516140411 3 8 2    10 2 9 2      C-13-H3C(O)CH3
  271067.4444  0.0061 -6.1805 3  115.4510344  595161404211110 0    21 813 0      C-13-H3C(O)CH3
  271069.9722  0.0053 -5.4431 3   21.7554184  59516140411 4 8 2    10 1 9 2      C-13-H3C(O)CH3
  271071.0153  0.0052 -5.4433 3   21.7559184  59516140411 3 8 1    10 2 9 1      C-13-H3C(O)CH3
  271076.4110  0.0052 -5.4433 3   21.7559184  59516140411 4 8 1    10 1 9 1      C-13-H3C(O)CH3
  271088.5896  0.2749 -6.3288 3 1570.1364B92  595161404745223 2    745124 2      C-13-H3C(O)CH3
  271093.8901  0.2232 -6.6301 3 1570.2160596  595161404745222 4    745123 4      C-13-H3C(O)CH3
  271097.5688  0.0061 -5.7455 3  526.7731760  595161404471532 2    471433 2      C-13-H3C(O)CH3
  271097.5688  0.0061 -4.5369 3  526.7731760  595161404471632 2    471433 2      C-13-H3C(O)CH3
  271097.5688  0.0061 -4.5369 3  526.7731760  595161404471532 2    471533 2      C-13-H3C(O)CH3
  271097.5688  0.0061 -5.7455 3  526.7731760  595161404471632 2    471533 2      C-13-H3C(O)CH3
  271099.4149  0.0061 -5.8846 3  526.7740760  595161404471632 1    471533 1      C-13-H3C(O)CH3
  271099.4149  0.0061 -4.5296 3  526.7740760  595161404471532 1    471533 1      C-13-H3C(O)CH3
  271099.4149  0.0061 -5.8846 3  526.7740760  595161404471532 1    471433 1      C-13-H3C(O)CH3
  271099.4149  0.0061 -4.5296 3  526.7740760  595161404471632 1    471433 1      C-13-H3C(O)CH3
  271111.0918  0.1766 -6.4319 3 1455.9212572  595161404715120 3    715021 3      C-13-H3C(O)CH3
  271118.8034  0.0084 -4.1714 3   59.8699248 -5951614041511 5 2    1410 4 2      C-13-H3C(O)CH3
  271121.7737  0.1526 -6.4318 3 1455.9139572  595161404715121 3    715022 3      C-13-H3C(O)CH3
  271134.1330  0.2988 -6.3289 3 1570.1844B92  595161404745222 1    745123 1      C-13-H3C(O)CH3
  271134.1806  0.0066 -4.8739 3  526.7454380  595161404471632 4    471433 4      C-13-H3C(O)CH3
  271134.1806  0.0066 -4.8739 3  526.7454380  595161404471532 4    471533 4      C-13-H3C(O)CH3
  271134.2125  0.0066 -5.4509 3  526.7455380  595161404471632 3    471533 3      C-13-H3C(O)CH3
  271134.2125  0.0066 -5.4509 3  526.7455380  595161404471532 3    471433 3      C-13-H3C(O)CH3
  271134.2996  0.0066 -5.6864 3  526.7454380 -595161404471532 4    471433 4      C-13-H3C(O)CH3
  271134.2996  0.0066 -4.9249 3  526.7455380 -595161404471632 3    471433 3      C-13-H3C(O)CH3
  271134.2996  0.0066 -4.9249 3  526.7455380 -595161404471532 3    471533 3      C-13-H3C(O)CH3
  271134.2996  0.0066 -5.6864 3  526.7454380 -595161404471632 4    471533 4      C-13-H3C(O)CH3
  271135.3977  0.0718 -6.1183 3  681.0760364  5951614044545 0 4    4544 1 4      C-13-H3C(O)CH3
  271142.1114  0.0721 -6.1181 3  681.0178364  5951614044545 0 3    4544 1 3      C-13-H3C(O)CH3
  271183.7865  0.1816 -6.1306 3 1455.8733B44  595161404715121 1    715022 1      C-13-H3C(O)CH3
  271189.4520  0.0097 -5.1945 3  209.7692440  5951614042720 7 1    2621 5 1      C-13-H3C(O)CH3
  271221.3861  0.0097 -5.1952 3  209.7302440  5951614042720 8 1    2621 6 1      C-13-H3C(O)CH3
  271228.9843  0.0144 -5.8033 3  240.9909472  5951614042921 8 0    291811 0      C-13-H3C(O)CH3
  271231.4773  0.0098 -5.1947 3  209.7455440  5951614042720 8 2    2621 6 2      C-13-H3C(O)CH3
  271232.5833  0.2691 -6.3286 3 1570.1710B92  595161404745222 2    745123 2      C-13-H3C(O)CH3
  271233.3656  0.0286 -6.6649 3  323.8757260  5951614043229 3 4    3130 1 4      C-13-H3C(O)CH3
  271241.1800  0.0064 -5.8591 3  156.5434392  595161404241510 2    2316 8 2      C-13-H3C(O)CH3
  271242.1193  0.0362 -6.9114 3  351.4837536  5951614043331 3 2    3232 1 2      C-13-H3C(O)CH3
  271261.5773  0.0134 -5.3595 3  174.3061204  5951614042517 8 4    2418 6 4      C-13-H3C(O)CH3
  271268.4620  0.1638 -6.4316 3 1455.9594572  595161404715120 4    715021 4      C-13-H3C(O)CH3
  271272.2726  0.1866 -6.1304 3 1455.8739B44  595161404715121 2    715022 2      C-13-H3C(O)CH3
  271272.5969  0.3216 -6.3284 3 1570.1395B92  595161404745222 0    745123 0      C-13-H3C(O)CH3
  271273.7731  0.3216 -6.3284 3 1570.1395B92  595161404745223 0    745124 0      C-13-H3C(O)CH3
  271274.1471  0.0160 -6.3097 3  193.1526212  5951614042619 8 3    261611 3      C-13-H3C(O)CH3
  271282.3104  0.0276 -6.3627 3  323.9179520  5951614043229 3 2    3130 1 2      C-13-H3C(O)CH3
  271286.5664  0.0132 -5.4941 3  209.7587220  5951614042720 7 4    2621 5 4      C-13-H3C(O)CH3
  271289.1758  0.0205 -6.7142 3  142.7954180  5951614042218 4 4    2215 7 4      C-13-H3C(O)CH3
  271314.6525  0.0103 -5.4983 3  209.7196220  5951614042720 8 3    2621 6 3      C-13-H3C(O)CH3
  271320.8400  0.0059 -6.9428 3  156.5399196  595161404241510 3    2316 8 3      C-13-H3C(O)CH3
  271323.5896  0.0190 -6.0116 3  240.9727472  5951614042921 8 2    291811 2      C-13-H3C(O)CH3
  271330.5313  0.2051 -6.1303 3 1455.9188B44  595161404715120 1    715021 1      C-13-H3C(O)CH3
  271332.6153  0.0103 -5.1662 3  174.3040408  5951614042517 8 2    2418 6 2      C-13-H3C(O)CH3
  271334.4990  0.0305 -6.3622 3  323.8966520  5951614043229 4 1    3130 2 1      C-13-H3C(O)CH3
  271337.8822  0.0150 -6.4701 3  142.7847360  5951614042218 4 1    2215 7 1      C-13-H3C(O)CH3
  271350.2710  0.0055 -5.4417 3   21.6874184  59516140411 3 8 0    10 2 9 0      C-13-H3C(O)CH3
  271351.5560  0.0264 -5.3516 3  826.2675824  5951614045146 6 2    5145 7 2      C-13-H3C(O)CH3
  271355.9054  0.0055 -5.4417 3   21.6874184  59516140411 4 8 0    10 1 9 0      C-13-H3C(O)CH3
  271429.7238  0.1849 -6.1301 3 1455.9121B44  595161404715120 2    715021 2      C-13-H3C(O)CH3
  271430.4160  0.2798 -6.8743 3 1734.2890644  595161404804337 4    804238 4      C-13-H3C(O)CH3
  271430.4792  0.2799 -6.8743 3 1734.2890644  595161404804337 3    804238 3      C-13-H3C(O)CH3
  271441.0241  0.0023 -3.8364 3  121.5550212  59516140426 224 3    25 223 3      C-13-H3C(O)CH3
  271441.0241  0.0023 -3.8364 3  121.5550212  59516140426 324 3    25 323 3      C-13-H3C(O)CH3
  271441.0558  0.0023 -3.8237 3  121.5550212  59516140426 324 4    25 323 4      C-13-H3C(O)CH3
  271441.0558  0.0023 -3.8237 3  121.5550212  59516140426 224 4    25 223 4      C-13-H3C(O)CH3
  271441.1296  0.0023 -5.3057 3  121.5550212 -59516140426 224 3    25 323 3      C-13-H3C(O)CH3
  271441.1296  0.0023 -6.2118 3  121.5550212 -59516140426 224 4    25 323 4      C-13-H3C(O)CH3
  271441.1296  0.0023 -6.2118 3  121.5550212 -59516140426 324 4    25 223 4      C-13-H3C(O)CH3
  271441.1296  0.0023 -5.3057 3  121.5550212 -59516140426 324 3    25 223 3      C-13-H3C(O)CH3
  271446.8997  0.0241 -5.3516 3  826.2593824  5951614045146 6 0    5145 6 0      C-13-H3C(O)CH3
  271446.8997  0.0241 -5.3516 3  826.2593824  5951614045146 5 0    5145 7 0      C-13-H3C(O)CH3
  271450.8874  0.2708 -6.5732 3 1734.2849C88  595161404804337 1    804238 1      C-13-H3C(O)CH3
  271451.9053  0.0362 -5.6524 3  826.2812412  5951614045146 6 4    5145 7 4      C-13-H3C(O)CH3
  271454.7699  0.0036 -4.2351 3   59.8964124  5951614041511 5 3    1410 4 3      C-13-H3C(O)CH3
  271458.3485  0.0291 -6.6628 3  323.8657260  5951614043229 3 3    3130 1 3      C-13-H3C(O)CH3
  271467.8752  0.2823 -6.5732 3 1734.2885C88  595161404804337 2    804238 2      C-13-H3C(O)CH3
  271473.6890  0.0024 -3.5691 3  121.5088424  59516140426 224 1    25 323 1      C-13-H3C(O)CH3
  271473.6890  0.0024 -4.4977 3  121.5088424  59516140426 324 1    25 323 1      C-13-H3C(O)CH3
  271473.7840  0.0024 -3.5691 3  121.5088424 -59516140426 324 1    25 223 1      C-13-H3C(O)CH3
  271473.7840  0.0024 -3.6586 3  121.5083424 -59516140426 324 2    25 323 2      C-13-H3C(O)CH3
  271473.7840  0.0024 -3.6586 3  121.5083424 -59516140426 224 2    25 223 2      C-13-H3C(O)CH3
  271473.7840  0.0024 -4.4977 3  121.5088424 -59516140426 224 1    25 223 1      C-13-H3C(O)CH3
  271473.8510  0.0024 -4.0863 3  121.5083424  59516140426 324 2    25 223 2      C-13-H3C(O)CH3
  271473.8510  0.0024 -4.0863 3  121.5083424  59516140426 224 2    25 323 2      C-13-H3C(O)CH3
  271486.1555  0.2736 -6.8741 3 1734.2893644  595161404804437 4    804338 4      C-13-H3C(O)CH3
  271486.2278  0.2735 -6.8741 3 1734.2893644  595161404804437 3    804338 3      C-13-H3C(O)CH3
  271488.2335  0.2717 -6.5730 3 1734.2845C88  595161404804337 0    804238 0      C-13-H3C(O)CH3
  271491.8350  0.2164 -6.1299 3 1455.8715B44  595161404715120 0    715021 0      C-13-H3C(O)CH3
  271492.0041  0.2164 -6.1299 3 1455.8715B44  595161404715121 0    715022 0      C-13-H3C(O)CH3
  271498.8656  0.0097 -5.1196 3  174.3005408  5951614042517 8 1    2418 6 1      C-13-H3C(O)CH3
  271499.1855  0.0331 -5.6525 3  826.3040412  5951614045146 5 3    5145 6 3      C-13-H3C(O)CH3
  271506.4466  0.0021 -3.5250 3  121.4621424 -59516140426 224 0    25 223 0      C-13-H3C(O)CH3
  271506.4466  0.0021 -5.5180 3  121.4621424 -59516140426 224 0    25 323 0      C-13-H3C(O)CH3
  271506.4466  0.0021 -5.5180 3  121.4621424 -59516140426 324 0    25 223 0      C-13-H3C(O)CH3
  271506.4466  0.0021 -3.5250 3  121.4621424 -59516140426 324 0    25 323 0      C-13-H3C(O)CH3
  271507.2764  0.2715 -6.5730 3 1734.2852C88  595161404804437 1    804338 1      C-13-H3C(O)CH3
  271508.3140  0.0279 -6.3607 3  323.9079520  5951614043229 4 2    3130 2 2      C-13-H3C(O)CH3
  271519.6273  0.2761 -6.5730 3 1734.2888C88  595161404804437 2    804338 2      C-13-H3C(O)CH3
  271530.5817  0.0260 -5.3514 3  826.2772824  5951614045146 5 2    5145 6 2      C-13-H3C(O)CH3
  271531.9367  0.0136 -6.4680 3  553.0924744  595161404462125 1    452422 1      C-13-H3C(O)CH3
  271535.9524  0.0135 -6.3200 3  142.7783360  5951614042218 4 0    2215 7 0      C-13-H3C(O)CH3
  271539.0395  0.0161 -6.7677 3  553.0716372  595161404462125 4    452422 4      C-13-H3C(O)CH3
  271539.0637  0.0160 -6.7677 3  553.0716372  595161404462125 3    452422 3      C-13-H3C(O)CH3
  271540.5789  0.2725 -6.5729 3 1734.2847C88  595161404804437 0    804338 0      C-13-H3C(O)CH3
  271548.1283  0.0265 -5.3513 3  826.2731824  5951614045146 6 1    5145 7 1      C-13-H3C(O)CH3
  271550.5812  0.0069 -5.6754 3  156.5361392  595161404241510 1    2316 8 1      C-13-H3C(O)CH3
  271560.5198  0.0100 -5.4971 3  209.7228220  5951614042720 7 3    2621 5 3      C-13-H3C(O)CH3
  271561.6749  0.0113 -6.4675 3  553.1102744  595161404462125 0    452422 0      C-13-H3C(O)CH3
  271569.0320  0.0154 -6.4661 3  553.0894744  595161404462125 2    452422 2      C-13-H3C(O)CH3
  271586.1676  0.0112 -5.4944 3  209.6838220  5951614042720 8 4    2621 6 4      C-13-H3C(O)CH3
  271595.1792  0.0245 -5.3514 3  826.2959824  5951614045146 5 1    5145 6 1      C-13-H3C(O)CH3
  271600.4374  0.0124 -4.9516 3  832.0140920  595161404572433 0    572334 0      C-13-H3C(O)CH3
  271600.4375  0.0124 -4.9516 3  832.0140920  595161404572533 0    572434 0      C-13-H3C(O)CH3
  271608.2526  0.0128 -6.0800 3  193.1589424  5951614042619 8 2    261611 2      C-13-H3C(O)CH3
  271612.4831  0.0290 -6.6630 3  323.8414260  5951614043229 4 3    3130 2 3      C-13-H3C(O)CH3
  271619.2684  0.0135 -6.4677 3  553.0895744  595161404462225 1    452322 1      C-13-H3C(O)CH3
  271629.6506  0.0445 -6.9506 3  537.9737712  595161404442717 0    433014 0      C-13-H3C(O)CH3
  271631.2320  0.0347 -5.6522 3  826.2908412  5951614045146 6 3    5145 7 3      C-13-H3C(O)CH3
  271631.2734  0.0164 -6.7674 3  553.0685372  595161404462225 4    452322 4      C-13-H3C(O)CH3
  271631.5309  0.0163 -6.7674 3  553.0686372  595161404462225 3    452322 3      C-13-H3C(O)CH3
  271644.4426  0.0141 -4.9514 3  832.0144920  595161404572533 1    572434 1      C-13-H3C(O)CH3
  271644.4426  0.0141 -4.9514 3  832.0144920  595161404572433 1    572334 1      C-13-H3C(O)CH3
  271646.0461  0.0113 -6.4672 3  553.1074744  595161404462225 0    452322 0      C-13-H3C(O)CH3
  271646.6808  0.0182 -4.9514 3  832.0145920  595161404572433 2    572334 2      C-13-H3C(O)CH3
  271646.6808  0.0182 -4.9514 3  832.0145920  595161404572533 2    572434 2      C-13-H3C(O)CH3
  271658.3343  0.0156 -6.4658 3  553.0864744  595161404462225 2    452322 2      C-13-H3C(O)CH3
  271673.3052  0.0155 -6.6504 3  193.1526212  5951614042619 7 3    261611 3      C-13-H3C(O)CH3
  271679.4187  0.0352 -5.6523 3  826.3135412  5951614045146 5 4    5145 6 4      C-13-H3C(O)CH3
  271690.7634  0.0181 -5.2522 3  832.0149460  595161404572433 3    572334 3      C-13-H3C(O)CH3
  271690.7634  0.0181 -5.2522 3  832.0149460  595161404572533 3    572434 3      C-13-H3C(O)CH3
  271690.8893  0.0182 -5.2522 3  832.0149460  595161404572433 4    572334 4      C-13-H3C(O)CH3
  271690.8894  0.0182 -5.2522 3  832.0149460  595161404572533 4    572434 4      C-13-H3C(O)CH3
  271699.9299  0.0146 -6.5004 3  142.7819360  5951614042218 4 2    2215 7 2      C-13-H3C(O)CH3
  271716.8214  0.0225 -5.9891 3  297.6932504  5951614043127 5 0    3028 2 0      C-13-H3C(O)CH3
  271716.8215  0.0225 -5.9891 3  297.6932504  5951614043127 4 0    3028 3 0      C-13-H3C(O)CH3
  271732.1107  0.0459 -5.7195 3  962.5358452  5951614045647 9 4    564610 4      C-13-H3C(O)CH3
  271738.4151  0.0046 -4.6311 3  498.5513744  595161404461432 0    461333 0      C-13-H3C(O)CH3
  271738.4151  0.0046 -5.0051 3  498.5513744  595161404461532 0    461333 0      C-13-H3C(O)CH3
  271738.4151  0.0046 -4.6311 3  498.5513744  595161404461532 0    461433 0      C-13-H3C(O)CH3
  271738.4151  0.0046 -5.0051 3  498.5513744  595161404461432 0    461433 0      C-13-H3C(O)CH3
  271760.3598  0.0058 -5.2858 3  498.5218744  595161404461432 2    461433 2      C-13-H3C(O)CH3
  271760.3598  0.0058 -4.5513 3  498.5218744  595161404461432 2    461333 2      C-13-H3C(O)CH3
  271760.3598  0.0058 -4.5513 3  498.5218744  595161404461532 2    461433 2      C-13-H3C(O)CH3
  271760.3598  0.0058 -5.2858 3  498.5218744  595161404461532 2    461333 2      C-13-H3C(O)CH3
  271762.4630  0.0059 -5.2170 3  498.5226744  595161404461432 1    461333 1      C-13-H3C(O)CH3
  271762.4630  0.0059 -4.5653 3  498.5226744  595161404461532 1    461333 1      C-13-H3C(O)CH3
  271762.4630  0.0059 -5.2170 3  498.5226744  595161404461532 1    461433 1      C-13-H3C(O)CH3
  271762.4630  0.0059 -4.5653 3  498.5226744  595161404461432 1    461433 1      C-13-H3C(O)CH3
  271764.7480  0.0341 -5.4184 3  962.5100904  5951614045647 9 2    564610 2      C-13-H3C(O)CH3
  271765.0581  0.0077 -4.9574 3  174.2972408  5951614042517 8 0    2418 7 0      C-13-H3C(O)CH3
  271765.3831  0.3957 -6.9236 3 1918.4031D52  595161404844638 1    844539 1      C-13-H3C(O)CH3
  271778.2045  0.0405 -5.7195 3  962.5303452  5951614045647 9 3    564610 3      C-13-H3C(O)CH3
  271782.8855  0.0219 -5.9898 3  297.6393504  5951614043127 4 1    3028 2 1      C-13-H3C(O)CH3
  271784.3740  0.0062 -5.3301 3  498.4929372  595161404461532 4    461333 4      C-13-H3C(O)CH3
  271784.3740  0.0062 -4.9220 3  498.4929372  595161404461432 4    461333 4      C-13-H3C(O)CH3
  271784.3740  0.0062 -4.9220 3  498.4929372  595161404461532 4    461433 4      C-13-H3C(O)CH3
  271784.3740  0.0062 -5.3301 3  498.4929372  595161404461432 4    461433 4      C-13-H3C(O)CH3
  271784.4493  0.0062 -4.9839 3  498.4930372  595161404461432 3    461433 3      C-13-H3C(O)CH3
  271784.4493  0.0062 -5.2030 3  498.4930372  595161404461432 3    461333 3      C-13-H3C(O)CH3
  271784.4493  0.0062 -4.9839 3  498.4930372  595161404461532 3    461333 3      C-13-H3C(O)CH3
  271784.4493  0.0062 -5.2030 3  498.4930372  595161404461532 3    461433 3      C-13-H3C(O)CH3
  271791.3253  0.0416 -5.7194 3  962.5160452  595161404564710 3    564611 3      C-13-H3C(O)CH3
  271795.9570  0.4317 -6.9235 3 1918.4062D52  595161404844638 2    844539 2      C-13-H3C(O)CH3
  271797.2137  0.3960 -6.9235 3 1918.4090D52  595161404844638 0    844539 0      C-13-H3C(O)CH3
  271824.1548  0.0325 -5.4183 3  962.4902904  595161404564710 2    564611 2      C-13-H3C(O)CH3
  271835.9357  0.0338 -6.6609 3  323.8313260  5951614043229 4 4    3130 2 4      C-13-H3C(O)CH3
  271837.7828  0.0416 -5.7194 3  962.5104452  595161404564710 4    564611 4      C-13-H3C(O)CH3
  271867.7032  0.0119 -5.9803 3  362.6780600  595161404371919 1    362016 1      C-13-H3C(O)CH3
  271889.6702  0.0339 -5.4181 3  962.5036904  5951614045647 9 1    564610 1      C-13-H3C(O)CH3
  271921.5245  0.0275 -5.4181 3  962.4778904  5951614045647 9 0    564610 0      C-13-H3C(O)CH3
  271921.5245  0.0275 -5.4181 3  962.4778904  595161404564710 0    564611 0      C-13-H3C(O)CH3
  271935.7052  0.0318 -5.4181 3  962.4981904  595161404564710 1    564611 1      C-13-H3C(O)CH3
  271947.0532  0.0131 -6.2800 3  362.6467300  595161404371919 4    362016 4      C-13-H3C(O)CH3
  271952.5557  0.0142 -6.2800 3  362.6466300  595161404371919 3    362016 3      C-13-H3C(O)CH3
  271975.7805  0.0097 -5.9782 3  362.6991600  595161404371919 0    362016 0      C-13-H3C(O)CH3
  271976.6329  0.3926 -6.9229 3 1918.4043D52  595161404844738 1    844639 1      C-13-H3C(O)CH3
  271991.5307  0.4035 -6.9229 3 1918.4073D52  595161404844738 2    844639 2      C-13-H3C(O)CH3
  271997.0248  0.3929 -6.9229 3 1918.4102D52  595161404844738 0    844639 0      C-13-H3C(O)CH3
  272003.7618  0.0026 -3.9211 3   59.8292248 -5951614041511 5 0    1410 4 0      C-13-H3C(O)CH3
  272035.9398  0.0119 -5.7210 3  156.5150196  595161404241510 4    2316 8 4      C-13-H3C(O)CH3
  272060.5232  0.0123 -5.9769 3  362.6677600  595161404371919 2    362016 2      C-13-H3C(O)CH3
  272073.9575  0.0222 -5.9883 3  297.6357504  5951614043127 5 2    3028 3 2      C-13-H3C(O)CH3
  272088.6742  0.0232 -5.9880 3  297.6239504  5951614043127 5 1    3028 3 1      C-13-H3C(O)CH3
  272107.5188  0.0791 -6.0346 3 1210.1906516  595161404644916 4    644817 4      C-13-H3C(O)CH3
  272138.4542  0.0230 -6.2900 3  297.5819252  5951614043127 5 4    3028 2 4      C-13-H3C(O)CH3
  272139.5927  0.0819 -6.0346 3 1210.2283516  595161404644916 3    644817 3      C-13-H3C(O)CH3
  272150.2538  0.0135 -5.5845 3  174.2647204  5951614042517 8 3    2418 6 3      C-13-H3C(O)CH3
  272153.0540  0.0216 -5.9869 3  297.6407504  5951614043127 4 2    3028 2 2      C-13-H3C(O)CH3
  272212.2465  0.0823 -6.0344 3 1210.2310516  595161404644915 3    644816 3      C-13-H3C(O)CH3
  272216.3537  0.0229 -6.2886 3  297.5868252  5951614043127 4 3    3028 2 3      C-13-H3C(O)CH3
  272220.3164  0.0086 -5.8450 3  193.1693424  5951614042619 8 0    261611 0      C-13-H3C(O)CH3
  272243.9466  0.0877 -6.0344 3 1210.2687516  595161404644915 4    644816 4      C-13-H3C(O)CH3
  272283.8462  0.0058 -6.5488 3   22.1161 84  59516140410 7 3 3     9 4 6 3      C-13-H3C(O)CH3
  272297.6781  0.0711 -5.7331 3 1210.1854A32  595161404644916 2    644817 2      C-13-H3C(O)CH3
  272346.0580  0.0671 -5.7330 3 1210.1815A32  595161404644916 1    644817 1      C-13-H3C(O)CH3
  272351.3833  0.0123 -6.2104 3  193.1628424  5951614042619 7 1    261611 1      C-13-H3C(O)CH3
  272356.7057  0.0391 -5.3644 3 1077.1004A32  595161404643034 1    642935 1      C-13-H3C(O)CH3
  272356.7162  0.0391 -5.3644 3 1077.1004A32  595161404643134 1    643035 1      C-13-H3C(O)CH3
  272357.5825  0.0380 -5.3644 3 1077.0856A32  595161404643034 0    642935 0      C-13-H3C(O)CH3
  272357.5910  0.0380 -5.3644 3 1077.0856A32  595161404643134 0    643035 0      C-13-H3C(O)CH3
  272360.6806  0.0452 -5.6654 3 1077.1167516  595161404643034 3    642935 3      C-13-H3C(O)CH3
  272360.6920  0.0452 -5.6654 3 1077.1167516  595161404643134 3    643035 3      C-13-H3C(O)CH3
  272360.7333  0.0453 -5.6653 3 1077.1168516  595161404643034 4    642935 4      C-13-H3C(O)CH3
  272360.7447  0.0453 -5.6653 3 1077.1168516  595161404643134 4    643035 4      C-13-H3C(O)CH3
  272361.5211  0.0443 -5.3644 3 1077.1019A32  595161404643034 2    642935 2      C-13-H3C(O)CH3
  272361.5304  0.0443 -5.3644 3 1077.1019A32  595161404643134 2    643035 2      C-13-H3C(O)CH3
  272376.1669  0.0045 -4.7428 3  470.8835728 -595161404451332 0    451333 0      C-13-H3C(O)CH3
  272376.1669  0.0045 -4.7428 3  470.8835728 -595161404451432 0    451233 0      C-13-H3C(O)CH3
  272376.1974  0.0045 -4.7561 3  470.8835728  595161404451332 0    451233 0      C-13-H3C(O)CH3
  272376.1974  0.0045 -4.7561 3  470.8835728  595161404451432 0    451333 0      C-13-H3C(O)CH3
  272377.8887  0.0714 -5.7330 3 1210.2191A32  595161404644915 1    644816 1      C-13-H3C(O)CH3
  272382.1195  0.0057 -4.4654 3  470.8536728  595161404451332 2    451333 2      C-13-H3C(O)CH3
  272382.1195  0.0057 -4.4654 3  470.8536728  595161404451432 2    451233 2      C-13-H3C(O)CH3
  272382.1583  0.0057 -5.8603 3  470.8536728 -595161404451332 2    451233 2      C-13-H3C(O)CH3
  272382.1583  0.0057 -5.8603 3  470.8536728 -595161404451432 2    451333 2      C-13-H3C(O)CH3
  272384.3923  0.0058 -4.8976 3  470.8544728 -595161404451432 1    451333 1      C-13-H3C(O)CH3
  272384.3923  0.0058 -4.5703 3  470.8544728 -595161404451332 1    451233 1      C-13-H3C(O)CH3
  272384.4284  0.0058 -4.6390 3  470.8544728  595161404451332 1    451333 1      C-13-H3C(O)CH3
  272384.4284  0.0058 -5.0594 3  470.8544728  595161404451432 1    451233 1      C-13-H3C(O)CH3
  272390.2481  0.0059 -4.7585 3  470.8245364  595161404451432 4    451233 4      C-13-H3C(O)CH3
  272390.2481  0.0059 -6.4244 3  470.8245364  595161404451432 4    451333 4      C-13-H3C(O)CH3
  272390.2481  0.0059 -6.4244 3  470.8245364  595161404451332 4    451233 4      C-13-H3C(O)CH3
  272390.2481  0.0059 -4.7585 3  470.8245364  595161404451332 4    451333 4      C-13-H3C(O)CH3
  272390.3697  0.0059 -4.8072 3  470.8245364  595161404451432 3    451233 3      C-13-H3C(O)CH3
  272390.3697  0.0059 -5.6528 3  470.8245364  595161404451332 3    451233 3      C-13-H3C(O)CH3
  272390.3697  0.0059 -5.6528 3  470.8245364  595161404451432 3    451333 3      C-13-H3C(O)CH3
  272390.3697  0.0059 -4.8072 3  470.8245364  595161404451332 3    451333 3      C-13-H3C(O)CH3
  272401.9628  0.0757 -5.7330 3 1210.2258A32  595161404644915 2    644816 2      C-13-H3C(O)CH3
  272406.8912  0.0083 -6.6423 3   24.9251 84  59516140410 9 2 4     9 6 4 4      C-13-H3C(O)CH3
  272410.2707  0.0923 -6.0780 3 1307.9671564  595161404703535 4    703436 4      C-13-H3C(O)CH3
  272410.2916  0.0923 -6.0780 3 1307.9671564  595161404703535 3    703436 3      C-13-H3C(O)CH3
  272410.7561  0.0923 -6.0780 3 1307.9671564  595161404703635 4    703536 4      C-13-H3C(O)CH3
  272410.7784  0.0923 -6.0780 3 1307.9671564  595161404703635 3    703536 3      C-13-H3C(O)CH3
  272411.6431  0.0167 -6.7028 3  142.6427180  5951614042218 5 4    2215 8 4      C-13-H3C(O)CH3
  272434.2029  0.0898 -5.7769 3 1307.9489B28  595161404703535 1    703436 1      C-13-H3C(O)CH3
  272434.6711  0.0898 -5.7769 3 1307.9489B28  595161404703635 1    703536 1      C-13-H3C(O)CH3
  272440.7674  0.0925 -5.7769 3 1307.9517B28  595161404703535 2    703436 2      C-13-H3C(O)CH3
  272441.1878  0.0925 -5.7769 3 1307.9517B28  595161404703635 2    703536 2      C-13-H3C(O)CH3
  272442.4737  0.0225 -6.2882 3  297.5665252  5951614043127 5 3    3028 3 3      C-13-H3C(O)CH3
  272454.5303  0.0548 -5.8557 3 1082.3244484  595161404604813 3    604714 3      C-13-H3C(O)CH3
  272464.6661  0.0898 -5.7768 3 1307.9335B28  595161404703535 0    703436 0      C-13-H3C(O)CH3
  272465.0702  0.0899 -5.7768 3 1307.9335B28  595161404703635 0    703536 0      C-13-H3C(O)CH3
  272472.9963  0.0546 -5.8557 3 1082.3001484  595161404604813 4    604714 4      C-13-H3C(O)CH3
  272473.5830  0.0203 -6.2252 3  274.2503504  595161404312210 1    311912 1      C-13-H3C(O)CH3
  272480.9964  0.0169 -5.5304 3  174.2537204  5951614042517 8 3    2418 7 3      C-13-H3C(O)CH3
  272483.8565  0.0644 -5.8556 3 1082.3583484  595161404604812 4    604713 4      C-13-H3C(O)CH3
  272502.4051  0.0582 -5.8556 3 1082.3341484  595161404604812 3    604713 3      C-13-H3C(O)CH3
  272507.5211  0.0313 -6.4855 3  274.2264252  595161404312210 4    311912 4      C-13-H3C(O)CH3
  272520.5663  0.0263 -6.2868 3  297.5714252  5951614043127 4 4    3028 3 4      C-13-H3C(O)CH3
  272534.0971  0.0028 -3.9537 3  123.6517220  59516140427 126 3    26 125 3      C-13-H3C(O)CH3
  272534.0971  0.0028 -3.9537 3  123.6517220  59516140427 226 3    26 225 3      C-13-H3C(O)CH3
  272534.1195  0.0027 -6.4963 3  123.6518220  59516140427 226 4    26 225 4      C-13-H3C(O)CH3
  272534.1195  0.0027 -3.7838 3  123.6518220  59516140427 126 4    26 225 4      C-13-H3C(O)CH3
  272534.1567  0.0028 -4.2709 3  123.6517220 -59516140427 126 3    26 225 3      C-13-H3C(O)CH3
  272534.1567  0.0027 -3.7838 3  123.6518220 -59516140427 226 4    26 125 4      C-13-H3C(O)CH3
  272534.1567  0.0027 -6.4963 3  123.6518220 -59516140427 126 4    26 125 4      C-13-H3C(O)CH3
  272534.1567  0.0028 -4.2709 3  123.6517220 -59516140427 226 3    26 125 3      C-13-H3C(O)CH3
  272535.6112  0.0706 -5.7326 3 1210.1763A32  595161404644915 0    644816 0      C-13-H3C(O)CH3
  272535.6116  0.0706 -5.7326 3 1210.1763A32  595161404644916 0    644817 0      C-13-H3C(O)CH3
  272535.6360  0.0131 -6.2268 3  193.1589424  5951614042619 7 2    261611 2      C-13-H3C(O)CH3
  272543.2953  0.0288 -5.3751 3  802.3039808  5951614045046 5 2    5045 6 2      C-13-H3C(O)CH3
  272554.6351  0.0029 -3.5737 3  123.5952440  59516140427 126 1    26 225 1      C-13-H3C(O)CH3
  272554.6351  0.0029 -3.5737 3  123.5952440  59516140427 226 1    26 125 1      C-13-H3C(O)CH3
  272554.7066  0.0028 -3.4923 3  123.5947440 -59516140427 226 2    26 225 2      C-13-H3C(O)CH3
  272554.7066  0.0029 -4.2012 3  123.5952440 -59516140427 226 1    26 225 1      C-13-H3C(O)CH3
  272554.7066  0.0029 -4.2012 3  123.5952440 -59516140427 126 1    26 125 1      C-13-H3C(O)CH3
  272554.7066  0.0028 -3.4923 3  123.5947440 -59516140427 126 2    26 125 2      C-13-H3C(O)CH3
  272554.7519  0.0028 -5.1032 3  123.5947440  59516140427 226 2    26 125 2      C-13-H3C(O)CH3
  272554.7519  0.0028 -5.1032 3  123.5947440  59516140427 126 2    26 225 2      C-13-H3C(O)CH3
  272564.6731  0.0440 -5.5544 3 1082.2892968  595161404604813 2    604714 2      C-13-H3C(O)CH3
  272574.9184  0.0137 -5.3736 3  174.2626408  5951614042517 8 2    2418 7 2      C-13-H3C(O)CH3
  272575.2319  0.0025 -6.1569 3  123.5383440  59516140427 126 0    26 225 0      C-13-H3C(O)CH3
  272575.2319  0.0025 -3.4825 3  123.5383440  59516140427 226 0    26 225 0      C-13-H3C(O)CH3
  272575.2676  0.0025 -6.1569 3  123.5383440 -59516140427 226 0    26 125 0      C-13-H3C(O)CH3
  272575.2676  0.0025 -3.4825 3  123.5383440 -59516140427 126 0    26 125 0      C-13-H3C(O)CH3
  272579.9975  0.0059 -6.5723 3   22.1160 84  59516140410 7 3 4     9 4 6 4      C-13-H3C(O)CH3
  272593.7966  0.0498 -5.5544 3 1082.3231968  595161404604812 2    604713 2      C-13-H3C(O)CH3
  272597.2246  0.0175 -6.4985 3  193.1521212  5951614042619 7 4    261611 4      C-13-H3C(O)CH3
  272598.7664  0.0057 -6.2463 3   22.0532168  59516140410 7 3 2     9 4 6 2      C-13-H3C(O)CH3
  272607.2050  0.0274 -6.5908 3  274.2269252  595161404312210 3    311912 3      C-13-H3C(O)CH3
  272608.3875  0.0252 -5.3751 3  802.3017808  5951614045046 4 0    5045 6 0      C-13-H3C(O)CH3
  272608.3875  0.0252 -5.3751 3  802.3017808  5951614045046 5 0    5045 5 0      C-13-H3C(O)CH3
  272631.4267  0.0053 -6.2503 3   22.0540168  59516140410 7 3 1     9 4 6 1      C-13-H3C(O)CH3
  272644.5932  0.0458 -5.5542 3 1082.3139968  595161404604812 1    604713 1      C-13-H3C(O)CH3
  272663.0669  0.0449 -5.5542 3 1082.2897968  595161404604813 1    604714 1      C-13-H3C(O)CH3
  272682.4500  0.0401 -5.6758 3  802.3161404  5951614045046 5 4    5045 6 4      C-13-H3C(O)CH3
  272719.4904  0.0377 -5.6759 3  802.3452404  5951614045046 4 3    5045 5 3      C-13-H3C(O)CH3
  272722.4327  0.0108 -4.8950 3  797.9705904  595161404562333 0    562234 0      C-13-H3C(O)CH3
  272722.4327  0.0108 -4.8950 3  797.9705904  595161404562433 0    562334 0      C-13-H3C(O)CH3
  272740.0964  0.4328 -6.9940 3 1773.8399636  595161404795426 4    795327 4      C-13-H3C(O)CH3
  272747.9354  0.0280 -5.3749 3  802.3221808  5951614045046 4 2    5045 5 2      C-13-H3C(O)CH3
  272748.3265  0.0283 -5.3748 3  802.3140808  5951614045046 5 1    5045 6 1      C-13-H3C(O)CH3
  272753.9978  0.0387 -5.5540 3 1082.2787968  595161404604813 0    604714 0      C-13-H3C(O)CH3
  272753.9978  0.0387 -5.5540 3 1082.2787968  595161404604812 0    604713 0      C-13-H3C(O)CH3
  272757.9667  0.0036 -3.9880 3   57.2671116  5951614041413 2 4    1312 2 4      C-13-H3C(O)CH3
  272772.4333  0.0124 -4.8947 3  797.9677904  595161404562333 1    562234 1      C-13-H3C(O)CH3
  272772.4333  0.0124 -4.8947 3  797.9677904  595161404562433 1    562334 1      C-13-H3C(O)CH3
  272773.9389  0.0033 -3.9880 3   57.3502116  5951614041413 1 3    1312 1 3      C-13-H3C(O)CH3
  272774.2355  0.0159 -4.8946 3  797.9676904  595161404562333 2    562234 2      C-13-H3C(O)CH3
  272774.2355  0.0159 -4.8946 3  797.9676904  595161404562433 2    562334 2      C-13-H3C(O)CH3
  272782.3802  0.1608 -6.4573 3 1514.1959604  595161404753936 4    753837 4      C-13-H3C(O)CH3
  272782.4381  0.1608 -6.4573 3 1514.1959604  595161404753936 3    753837 3      C-13-H3C(O)CH3
  272785.0382  0.0266 -5.3749 3  802.3431808  5951614045046 4 1    5045 5 1      C-13-H3C(O)CH3
  272788.1328  0.1603 -6.4573 3 1514.1959604  595161404754036 4    753937 4      C-13-H3C(O)CH3
  272788.1961  0.1602 -6.4573 3 1514.1959604  595161404754036 3    753937 3      C-13-H3C(O)CH3
  272792.5573  0.0052 -6.2360 3   21.9913168  59516140410 7 3 0     9 4 6 0      C-13-H3C(O)CH3
  272800.2623  0.0034 -3.9879 3   57.3451116  5951614041413 2 3    1312 2 3      C-13-H3C(O)CH3
  272812.9636  0.1611 -6.1561 3 1514.1831C08  595161404753936 1    753837 1      C-13-H3C(O)CH3
  272816.7494  0.0027 -3.9878 3   57.4283116  5951614041413 1 4    1312 1 4      C-13-H3C(O)CH3
  272818.6749  0.1614 -6.1561 3 1514.1831C08  595161404754036 1    753937 1      C-13-H3C(O)CH3
  272821.1959  0.4094 -6.9942 3 1773.8680636  595161404795426 3    795327 3      C-13-H3C(O)CH3
  272822.0080  0.1630 -6.1561 3 1514.1866C08  595161404753936 2    753837 2      C-13-H3C(O)CH3
  272824.3184  0.0157 -5.1954 3  797.9647452  595161404562333 3    562234 3      C-13-H3C(O)CH3
  272824.3184  0.0157 -5.1954 3  797.9647452  595161404562433 3    562334 3      C-13-H3C(O)CH3
  272824.4483  0.0158 -5.1954 3  797.9647452  595161404562433 4    562334 4      C-13-H3C(O)CH3
  272824.4483  0.0158 -5.1954 3  797.9647452  595161404562333 4    562234 4      C-13-H3C(O)CH3
  272827.1765  0.1625 -6.1561 3 1514.1866C08  595161404754036 2    753937 2      C-13-H3C(O)CH3
  272852.4804  0.1620 -6.1560 3 1514.1739C08  595161404753936 0    753837 0      C-13-H3C(O)CH3
  272855.8360  0.5126 -6.6928 3 1773.8546C72  595161404795426 1    795327 1      C-13-H3C(O)CH3
  272857.6054  0.1622 -6.1560 3 1514.1739C08  595161404754036 0    753937 0      C-13-H3C(O)CH3
  272860.5014  0.0024 -5.9105 3   59.8964124  5951614041511 4 3    1410 4 3      C-13-H3C(O)CH3
  272885.5819  0.0051 -6.8369 3   88.8432296  5951614041813 5 0    18 810 0      C-13-H3C(O)CH3
  272887.6439  0.0387 -5.6756 3  802.3343404  5951614045046 5 3    5045 6 3      C-13-H3C(O)CH3
  272925.6238  0.0392 -5.6757 3  802.3634404  5951614045046 4 4    5045 5 4      C-13-H3C(O)CH3
  272937.8582  0.0075 -6.9712 3   88.8707296  5951614041813 5 1    18 810 1      C-13-H3C(O)CH3
  272953.8556  0.0076 -6.9519 3   88.8682296  5951614041813 5 2    18 810 2      C-13-H3C(O)CH3
  272953.9887  0.0057 -6.4887 3  443.7413356  595161404441332 4    441233 4      C-13-H3C(O)CH3
  272953.9887  0.0057 -4.7310 3  443.7413356  595161404441232 4    441233 4      C-13-H3C(O)CH3
  272953.9887  0.0057 -6.4887 3  443.7413356  595161404441232 4    441133 4      C-13-H3C(O)CH3
  272953.9887  0.0057 -4.7310 3  443.7413356  595161404441332 4    441133 4      C-13-H3C(O)CH3
  272954.1574  0.0057 -4.7236 3  443.7413356  595161404441332 3    441133 3      C-13-H3C(O)CH3
  272954.1574  0.0057 -4.7236 3  443.7413356  595161404441232 3    441233 3      C-13-H3C(O)CH3
  272965.2603  0.0056 -4.8084 3  443.7698712  595161404441232 2    441133 2      C-13-H3C(O)CH3
  272965.2603  0.0056 -4.6525 3  443.7698712  595161404441232 2    441233 2      C-13-H3C(O)CH3
  272965.2603  0.0056 -4.8084 3  443.7698712  595161404441332 2    441233 2      C-13-H3C(O)CH3
  272965.2603  0.0056 -4.6525 3  443.7698712  595161404441332 2    441133 2      C-13-H3C(O)CH3
  272967.7188  0.0057 -4.4892 3  443.7706712  595161404441232 1    441233 1      C-13-H3C(O)CH3
  272967.7188  0.0057 -4.4892 3  443.7706712  595161404441332 1    441133 1      C-13-H3C(O)CH3
  272967.7188  0.0057 -5.2691 3  443.7706712  595161404441232 1    441133 1      C-13-H3C(O)CH3
  272967.7188  0.0057 -5.2691 3  443.7706712  595161404441332 1    441233 1      C-13-H3C(O)CH3
  272972.7267  0.0176 -5.6947 3  272.7291488  5951614043025 6 0    2926 3 0      C-13-H3C(O)CH3
  272972.7354  0.0176 -5.6947 3  272.7291488  5951614043025 5 0    2926 4 0      C-13-H3C(O)CH3
  272974.3854  0.3790 -6.9939 3 1773.8755636  595161404795425 3    795326 3      C-13-H3C(O)CH3
  272978.7863  0.0045 -4.8500 3  443.7991712 -595161404441232 0    441133 0      C-13-H3C(O)CH3
  272978.7863  0.0045 -4.8500 3  443.7991712 -595161404441332 0    441233 0      C-13-H3C(O)CH3
  272978.8122  0.0045 -4.6256 3  443.7991712  595161404441232 0    441233 0      C-13-H3C(O)CH3
  272978.8122  0.0045 -4.6256 3  443.7991712  595161404441332 0    441133 0      C-13-H3C(O)CH3
  273009.4886  0.0032 -3.6860 3   57.2871232 -5951614041413 2 1    1312 2 1      C-13-H3C(O)CH3
  273026.2849  0.0027 -3.6860 3   57.3701232 -5951614041413 1 1    1312 1 1      C-13-H3C(O)CH3
  273031.0346  0.0030 -3.6859 3   57.2978232 -5951614041413 2 2    1312 2 2      C-13-H3C(O)CH3
  273055.2811  0.3835 -6.9935 3 1773.9036636  595161404795425 4    795326 4      C-13-H3C(O)CH3
  273062.8209  0.0138 -5.4602 3  174.2483408  5951614042517 8 1    2418 7 1      C-13-H3C(O)CH3
  273066.5259  0.0190 -5.8921 3  274.2503504  5951614043122 9 1    311912 1      C-13-H3C(O)CH3
  273073.8340  0.4786 -6.6923 3 1773.8391C72  595161404795426 2    795327 2      C-13-H3C(O)CH3
  273074.1339  0.0029 -3.6858 3   57.3758232 -5951614041413 1 2    1312 1 2      C-13-H3C(O)CH3
  273083.6868  0.0165 -5.5190 3  358.8668584  595161404362214 2    361917 2      C-13-H3C(O)CH3
  273089.6619  0.0269 -6.1678 3  274.2269252  5951614043122 9 3    311912 3      C-13-H3C(O)CH3
  273089.7939  0.4966 -6.6923 3 1773.8901C72  595161404795425 1    795326 1      C-13-H3C(O)CH3
  273121.8832  0.0078 -5.5701 3   35.8939100  59516140412 9 4 4    11 6 5 4      C-13-H3C(O)CH3
  273140.6355  0.0173 -5.6949 3  272.6681488  5951614043025 6 1    2926 4 1      C-13-H3C(O)CH3
  273154.4457  0.4684 -6.6922 3 1773.8673C72  595161404795425 2    795326 2      C-13-H3C(O)CH3
  273184.0689  0.5485 -6.6920 3 1773.8540C72  595161404795425 0    795326 0      C-13-H3C(O)CH3
  273187.3678  0.0130 -5.5206 3  358.8960584  595161404362214 0    361917 0      C-13-H3C(O)CH3
  273195.4807  0.5481 -6.6920 3 1773.8536C72  595161404795426 0    795327 0      C-13-H3C(O)CH3
  273221.6930  0.0267 -6.2146 3  274.2264252  5951614043122 9 4    311912 4      C-13-H3C(O)CH3
  273256.8797  0.0123 -6.0149 3  219.7704228  595161404281910 4    281613 4      C-13-H3C(O)CH3
  273257.7641  0.0185 -5.8207 3  358.8440292  595161404362214 4    361917 4      C-13-H3C(O)CH3
  273269.5062  0.0198 -5.8208 3  358.8440292  595161404362214 3    361917 3      C-13-H3C(O)CH3
  273281.9405  0.0028 -3.6849 3   57.3178232 -5951614041413 2 0    1312 1 0      C-13-H3C(O)CH3
  273283.5539  0.0028 -3.6849 3   57.3178232 -5951614041413 1 0    1312 2 0      C-13-H3C(O)CH3
  273314.3930  0.0166 -5.6927 3  272.6896488  5951614043025 5 2    2926 3 2      C-13-H3C(O)CH3
  273315.1805  0.0428 -5.7038 3  936.0773444  5951614045547 8 4    5546 9 4      C-13-H3C(O)CH3
  273316.8043  0.0318 -5.4028 3  936.0542888  5951614045547 8 2    5546 9 2      C-13-H3C(O)CH3
  273329.5558  0.0028 -4.2240 3   59.8719248  5951614041511 4 1    1410 4 1      C-13-H3C(O)CH3
  273335.8217  0.0031 -4.2804 3   59.8699248  5951614041511 4 2    1410 4 2      C-13-H3C(O)CH3
  273355.0501  0.0177 -5.6933 3  272.6708488  5951614043025 5 1    2926 3 1      C-13-H3C(O)CH3
  273357.1305  0.0027 -4.3429 3   59.9239124  5951614041511 4 4    1410 4 4      C-13-H3C(O)CH3
  273365.1764  0.0145 -5.5213 3  358.8732584  595161404362214 1    361917 1      C-13-H3C(O)CH3
  273365.3625  0.0376 -5.7038 3  936.0775444  5951614045547 8 3    5546 9 3      C-13-H3C(O)CH3
  273368.0399  0.0176 -5.6935 3  272.6729488  5951614043025 6 2    2926 4 2      C-13-H3C(O)CH3
  273377.2820  0.0195 -6.8964 3  274.2351504  595161404312210 2    311912 2      C-13-H3C(O)CH3
  273382.5768  0.1089 -6.1955 3 1313.6901540  595161404675018 4    674919 4      C-13-H3C(O)CH3
  273408.8801  0.0398 -5.7037 3  936.0628444  5951614045547 9 3    554610 3      C-13-H3C(O)CH3
  273410.5782  0.0314 -5.4026 3  936.0397888  5951614045547 9 2    554610 2      C-13-H3C(O)CH3
  273412.9066  0.0090 -5.6961 3  219.7861456  595161404281910 1    281613 1      C-13-H3C(O)CH3
  273443.8210  0.0086 -5.9866 3  219.7704228  595161404281910 3    281613 3      C-13-H3C(O)CH3
  273449.3857  0.0132 -6.4614 3  142.6542360  5951614042218 5 1    2215 8 1      C-13-H3C(O)CH3
  273449.7686  0.1149 -6.1954 3 1313.7342540  595161404675018 3    674918 3      C-13-H3C(O)CH3
  273459.5483  0.0399 -5.7037 3  936.0629444  5951614045547 9 4    554610 4      C-13-H3C(O)CH3
  273464.1488  0.0321 -5.4025 3  936.0504888  5951614045547 9 1    554610 1      C-13-H3C(O)CH3
  273464.8918  0.0271 -5.4025 3  936.0272888  5951614045547 9 0    5546 9 0      C-13-H3C(O)CH3
  273464.8918  0.0271 -5.4025 3  936.0272888  5951614045547 8 0    554610 0      C-13-H3C(O)CH3
  273477.6486  0.0056 -4.7019 3  417.2446348  595161404431132 4    431133 4      C-13-H3C(O)CH3
  273477.6486  0.0056 -4.7019 3  417.2446348  595161404431232 4    431033 4      C-13-H3C(O)CH3
  273477.8623  0.0055 -4.7021 3  417.2447348  595161404431132 3    431133 3      C-13-H3C(O)CH3
  273477.8623  0.0055 -4.7021 3  417.2447348  595161404431232 3    431033 3      C-13-H3C(O)CH3
  273478.8278  0.0183 -5.9939 3  272.6286244  5951614043025 5 3    2926 3 3      C-13-H3C(O)CH3
  273505.9407  0.0159 -5.7277 3  274.2589504  5951614043122 9 0    311912 0      C-13-H3C(O)CH3
  273512.0440  0.0056 -4.4673 3  417.2715696  595161404431232 2    431133 2      C-13-H3C(O)CH3
  273512.0440  0.0056 -5.2484 3  417.2715696  595161404431132 2    431133 2      C-13-H3C(O)CH3
  273512.0441  0.0056 -5.2484 3  417.2715696 -595161404431232 2    431033 2      C-13-H3C(O)CH3
  273512.0441  0.0056 -4.4673 3  417.2715696 -595161404431132 2    431033 2      C-13-H3C(O)CH3
  273514.1929  0.0297 -5.4025 3  936.0506888  5951614045547 8 1    5546 9 1      C-13-H3C(O)CH3
  273514.5192  0.1070 -6.1953 3 1313.7321540  595161404675017 3    674919 3      C-13-H3C(O)CH3
  273514.5925  0.0057 -4.4043 3  417.2723696  595161404431232 1    431133 1      C-13-H3C(O)CH3
  273514.5925  0.0057 -4.4043 3  417.2723696  595161404431132 1    431033 1      C-13-H3C(O)CH3
  273514.5925  0.0057 -6.5022 3  417.2723696  595161404431132 1    431133 1      C-13-H3C(O)CH3
  273514.5925  0.0057 -6.5022 3  417.2723696  595161404431232 1    431033 1      C-13-H3C(O)CH3
  273532.7280  0.0189 -5.9947 3  272.6120244  5951614043025 6 4    2926 4 4      C-13-H3C(O)CH3
  273548.6351  0.0046 -4.4714 3  417.2992696 -595161404431232 0    431133 0      C-13-H3C(O)CH3
  273548.6351  0.0046 -4.4714 3  417.2992696 -595161404431132 0    431033 0      C-13-H3C(O)CH3
  273548.7282  0.0046 -5.2240 3  417.2992696  595161404431232 0    431033 0      C-13-H3C(O)CH3
  273548.7282  0.0046 -5.2240 3  417.2992696  595161404431132 0    431133 0      C-13-H3C(O)CH3
  273561.6316  0.0365 -6.9822 3  608.8372760  595161404472820 0    463115 0      C-13-H3C(O)CH3
  273576.6424  0.0181 -6.8629 3  142.6588180  5951614042218 5 3    2215 8 3      C-13-H3C(O)CH3
  273581.2834  0.1141 -6.1952 3 1313.7763540  595161404675017 4    674918 4      C-13-H3C(O)CH3
  273618.4044  0.0185 -5.7594 3  274.2351504  5951614043122 9 2    311912 2      C-13-H3C(O)CH3
  273626.4302  0.0980 -5.8939 3 1313.6843A80  595161404675018 1    674919 1      C-13-H3C(O)CH3
  273626.9376  0.1055 -5.8939 3 1313.6888A80  595161404675018 2    674919 2      C-13-H3C(O)CH3
  273633.7165  0.0035 -4.2107 3  125.2093228  59516140428 028 4    27 027 4      C-13-H3C(O)CH3
  273633.7165  0.0035 -4.2107 3  125.2093228  59516140428 128 4    27 127 4      C-13-H3C(O)CH3
  273633.7177  0.0035 -3.9597 3  125.2093228  59516140428 028 3    27 127 3      C-13-H3C(O)CH3
  273633.7177  0.0035 -4.1565 3  125.2093228  59516140428 128 3    27 127 3      C-13-H3C(O)CH3
  273633.7402  0.0035 -3.9284 3  125.2093228 -59516140428 028 4    27 127 4      C-13-H3C(O)CH3
  273633.7402  0.0035 -4.1565 3  125.2093228 -59516140428 028 3    27 027 3      C-13-H3C(O)CH3
  273633.7402  0.0035 -3.9284 3  125.2093228 -59516140428 128 4    27 027 4      C-13-H3C(O)CH3
  273633.7402  0.0035 -3.9597 3  125.2093228 -59516140428 128 3    27 027 3      C-13-H3C(O)CH3
  273639.4125  0.0040 -4.6793 3  125.1397456  59516140428 028 1    27 027 1      C-13-H3C(O)CH3
  273639.4125  0.0040 -3.4709 3  125.1397456  59516140428 128 1    27 027 1      C-13-H3C(O)CH3
  273639.5140  0.0038 -4.7977 3  125.1392456 -59516140428 128 2    27 027 2      C-13-H3C(O)CH3
  273639.5140  0.0040 -4.6793 3  125.1397456 -59516140428 128 1    27 127 1      C-13-H3C(O)CH3
  273639.5140  0.0040 -3.4709 3  125.1397456 -59516140428 028 1    27 127 1      C-13-H3C(O)CH3
  273639.5140  0.0038 -4.7977 3  125.1392456 -59516140428 028 2    27 127 2      C-13-H3C(O)CH3
  273639.5348  0.0038 -3.4645 3  125.1392456  59516140428 028 2    27 027 2      C-13-H3C(O)CH3
  273639.5348  0.0038 -3.4645 3  125.1392456  59516140428 128 2    27 127 2      C-13-H3C(O)CH3
  273645.2102  0.0035 -5.2875 3  125.0698456  59516140428 128 0    27 027 0      C-13-H3C(O)CH3
  273645.2102  0.0035 -3.4509 3  125.0698456  59516140428 028 0    27 027 0      C-13-H3C(O)CH3
  273645.2904  0.0035 -3.4509 3  125.0698456 -59516140428 128 0    27 127 0      C-13-H3C(O)CH3
  273645.2904  0.0035 -5.2875 3  125.0698456 -59516140428 028 0    27 127 0      C-13-H3C(O)CH3
  273655.5757  0.0329 -5.4175 3  778.8426792  5951614044946 4 2    4945 5 2      C-13-H3C(O)CH3
  273684.2238  0.0273 -5.4176 3  778.8462792  5951614044946 3 0    4945 4 0      C-13-H3C(O)CH3
  273684.2238  0.0273 -5.4176 3  778.8462792  5951614044946 4 0    4945 5 0      C-13-H3C(O)CH3
  273693.3229  0.1109 -5.8938 3 1313.7285A80  595161404675017 1    674918 1      C-13-H3C(O)CH3
  273693.6488  0.0208 -5.9924 3  272.6312244  5951614043025 5 4    2926 3 4      C-13-H3C(O)CH3
  273700.0108  0.0385 -7.0472 3  627.2692776  595161404482722 2    473017 2      C-13-H3C(O)CH3
  273730.7916  0.0190 -6.9725 3  142.6588180  5951614042218 4 3    2215 8 3      C-13-H3C(O)CH3
  273743.8992  0.0082 -5.6848 3  219.7807456  595161404281910 2    281613 2      C-13-H3C(O)CH3
  273746.5024  0.0177 -5.9932 3  272.6146244  5951614043025 6 3    2926 4 3      C-13-H3C(O)CH3
  273758.4653  0.1089 -5.8937 3 1313.7309A80  595161404675017 2    674918 2      C-13-H3C(O)CH3
  273765.1957  0.0135 -6.4917 3  142.6580360  5951614042218 5 2    2215 8 2      C-13-H3C(O)CH3
  273777.6512  0.0097 -4.8403 3  764.4983888  595161404552233 0    552134 0      C-13-H3C(O)CH3
  273777.6513  0.0097 -4.8403 3  764.4983888  595161404552333 0    552234 0      C-13-H3C(O)CH3
  273805.4512  0.0079 -5.6790 3  219.7964456  595161404281910 0    281613 0      C-13-H3C(O)CH3
  273815.7791  0.0092 -6.3885 3   24.8711168  59516140410 9 2 1     9 6 4 1      C-13-H3C(O)CH3
  273821.5011  0.0085 -6.9297 3   91.2840296  5951614041814 4 0    18 9 9 0      C-13-H3C(O)CH3
  273824.0116  0.0349 -7.0453 3  627.2680776  595161404482722 1    473017 1      C-13-H3C(O)CH3
  273832.6836  0.0111 -4.8401 3  764.4920888  595161404552333 1    552234 1      C-13-H3C(O)CH3
  273832.6836  0.0111 -4.8401 3  764.4920888  595161404552233 1    552134 1      C-13-H3C(O)CH3
  273834.0412  0.0140 -4.8400 3  764.4918888  595161404552333 2    552234 2      C-13-H3C(O)CH3
  273834.0412  0.0140 -4.8401 3  764.4918888  595161404552233 2    552134 2      C-13-H3C(O)CH3
  273834.7250  0.0463 -5.7181 3  778.8539396  5951614044946 4 4    4945 5 4      C-13-H3C(O)CH3
  273857.4531  0.0445 -5.7183 3  778.8892396  5951614044946 3 3    4945 4 3      C-13-H3C(O)CH3
  273863.9639  0.0318 -5.4172 3  778.8576792  5951614044946 4 1    4945 5 1      C-13-H3C(O)CH3
  273870.3620  0.1140 -5.8933 3 1313.6831A80  595161404675017 0    674918 0      C-13-H3C(O)CH3
  273870.3665  0.1140 -5.8933 3 1313.6831A80  595161404675018 0    674919 0      C-13-H3C(O)CH3
  273881.5968  0.0326 -5.4173 3  778.8701792  5951614044946 3 2    4945 4 2      C-13-H3C(O)CH3
  273886.2917  0.0305 -5.4173 3  778.8929792  5951614044946 3 1    4945 4 1      C-13-H3C(O)CH3
  273889.1599  0.0137 -5.1408 3  764.4856444  595161404552233 3    552134 3      C-13-H3C(O)CH3
  273889.1599  0.0137 -5.1408 3  764.4856444  595161404552333 3    552234 3      C-13-H3C(O)CH3
  273889.2898  0.0138 -5.1408 3  764.4855444  595161404552233 4    552134 4      C-13-H3C(O)CH3
  273889.2899  0.0138 -5.1409 3  764.4855444  595161404552333 4    552234 4      C-13-H3C(O)CH3
  273918.3139  0.0318 -5.2949 3 1039.0404A16  595161404632934 0    632835 0      C-13-H3C(O)CH3
  273918.3167  0.0318 -5.2949 3 1039.0404A16  595161404633034 0    632935 0      C-13-H3C(O)CH3
  273924.8961  0.0332 -5.2948 3 1039.0540A16  595161404632934 1    632835 1      C-13-H3C(O)CH3
  273924.8996  0.0332 -5.2948 3 1039.0540A16  595161404633034 1    632935 1      C-13-H3C(O)CH3
  273929.3783  0.0385 -5.2948 3 1039.0552A16  595161404632934 2    632835 2      C-13-H3C(O)CH3
  273929.3814  0.0385 -5.2948 3 1039.0552A16  595161404633034 2    632935 2      C-13-H3C(O)CH3
  273930.3832  0.3006 -6.7721 3 1651.8532612  595161404765324 4    765225 4      C-13-H3C(O)CH3
  273932.2525  0.0035 -4.3476 3   59.7694124  5951614041511 5 4    1410 5 4      C-13-H3C(O)CH3
  273936.0054  0.0394 -5.5958 3 1039.0689508  595161404632934 3    632835 3      C-13-H3C(O)CH3
  273936.0092  0.0394 -5.5958 3 1039.0689508  595161404633034 3    632935 3      C-13-H3C(O)CH3
  273936.0732  0.0394 -5.5958 3 1039.0689508  595161404632934 4    632835 4      C-13-H3C(O)CH3
  273936.0770  0.0394 -5.5958 3 1039.0689508  595161404633034 4    632935 4      C-13-H3C(O)CH3
  273963.1640  0.0056 -4.7178 3  391.3357340  595161404421132 4    42 933 4      C-13-H3C(O)CH3
  273963.1640  0.0056 -4.7178 3  391.3357340  595161404421032 4    421033 4      C-13-H3C(O)CH3
  273963.1640  0.0056 -5.8258 3  391.3357340  595161404421132 4    421033 4      C-13-H3C(O)CH3
  273963.1640  0.0056 -5.8258 3  391.3357340  595161404421032 4    42 933 4      C-13-H3C(O)CH3
  273963.4173  0.0054 -4.7184 3  391.3357340  595161404421132 3    421033 3      C-13-H3C(O)CH3
  273963.4173  0.0054 -5.8179 3  391.3357340  595161404421132 3    42 933 3      C-13-H3C(O)CH3
  273963.4173  0.0054 -5.8179 3  391.3357340  595161404421032 3    421033 3      C-13-H3C(O)CH3
  273963.4173  0.0054 -4.7184 3  391.3357340  595161404421032 3    42 933 3      C-13-H3C(O)CH3
  274024.5947  0.0055 -4.5302 3  391.3598680  595161404421032 2    421033 2      C-13-H3C(O)CH3
  274024.5947  0.0055 -4.3842 3  391.3598680  595161404421132 2    421033 2      C-13-H3C(O)CH3
  274024.5947  0.0055 -4.9276 3  391.3598680  595161404421032 2    42 933 2      C-13-H3C(O)CH3
  274027.1481  0.0056 -4.4329 3  391.3606680 -595161404421032 1    42 933 1      C-13-H3C(O)CH3
  274027.1481  0.0056 -4.4329 3  391.3606680 -595161404421132 1    421033 1      C-13-H3C(O)CH3
  274027.1712  0.0056 -5.3558 3  391.3606680  595161404421132 1    42 933 1      C-13-H3C(O)CH3
  274027.1712  0.0056 -5.3558 3  391.3606680  595161404421032 1    421033 1      C-13-H3C(O)CH3
  274047.5848  0.0105 -6.3964 3   24.8711168  59516140410 9 2 2     9 6 4 2      C-13-H3C(O)CH3
  274048.7365  0.2649 -6.7720 3 1651.8863612  595161404765324 3    765225 3      C-13-H3C(O)CH3
  274049.9703  0.0054 -7.0241 3   34.6538100  59516140412 8 4 4    11 5 6 4      C-13-H3C(O)CH3
  274061.5657  0.0456 -5.7178 3  778.8814396  5951614044946 4 3    4945 5 3      C-13-H3C(O)CH3
  274069.9903  0.0331 -7.0405 3  627.2714776  595161404482722 0    473017 0      C-13-H3C(O)CH3
  274073.4114  0.0233 -5.9348 3  174.2123204  5951614042517 8 4    2418 7 4      C-13-H3C(O)CH3
  274077.8981  0.0217 -6.7004 3  309.6780536  595161404332311 1    332013 1      C-13-H3C(O)CH3
  274085.2326  0.0459 -5.7180 3  778.9167396  5951614044946 3 4    4945 4 4      C-13-H3C(O)CH3
  274088.1661  0.0048 -5.7896 3  391.3847680 -595161404421132 0    421033 0      C-13-H3C(O)CH3
  274088.1661  0.0048 -5.7896 3  391.3847680 -595161404421032 0    42 933 0      C-13-H3C(O)CH3
  274088.2573  0.0048 -4.4011 3  391.3847680  595161404421132 0    42 933 0      C-13-H3C(O)CH3
  274088.2573  0.0048 -4.4011 3  391.3847680  595161404421032 0    421033 0      C-13-H3C(O)CH3
  274092.2567  0.3478 -6.4707 3 1651.8618C24  595161404765324 1    765225 1      C-13-H3C(O)CH3
  274106.9356  0.0165 -6.6256 3  625.0008792  595161404492227 1    482524 1      C-13-H3C(O)CH3
  274109.1589  0.0204 -6.9252 3  624.9859396  595161404492227 4    482524 4      C-13-H3C(O)CH3
  274109.2302  0.0203 -6.9253 3  624.9859396  595161404492227 3    482524 3      C-13-H3C(O)CH3
  274123.1767  0.2817 -6.7718 3 1651.8957612  595161404765323 3    765224 3      C-13-H3C(O)CH3
  274124.4745  0.0165 -6.6255 3  625.0002792  595161404492327 1    482424 1      C-13-H3C(O)CH3
  274127.9477  0.0205 -6.9252 3  624.9853396  595161404492327 4    482424 4      C-13-H3C(O)CH3
  274128.0813  0.0204 -6.9252 3  624.9853396  595161404492327 3    482424 3      C-13-H3C(O)CH3
  274128.5190  0.0135 -6.6255 3  625.0136792  595161404492227 0    482524 0      C-13-H3C(O)CH3
  274130.9266  0.0193 -6.6240 3  624.9988792  595161404492227 2    482524 2      C-13-H3C(O)CH3
  274145.1322  0.0135 -6.6254 3  625.0131792  595161404492327 0    482424 0      C-13-H3C(O)CH3
  274148.7766  0.0193 -6.6240 3  624.9982792  595161404492327 2    482424 2      C-13-H3C(O)CH3
  274156.0437  0.1513 -6.3725 3 1421.7923564  595161404705120 4    705021 4      C-13-H3C(O)CH3
  274241.2913  0.2698 -6.7716 3 1651.9289612  595161404765323 4    765224 4      C-13-H3C(O)CH3
  274262.7574  0.1586 -6.3724 3 1421.8394564  595161404705119 3    705020 3      C-13-H3C(O)CH3
  274265.2296  0.3379 -6.4703 3 1651.8544C24  595161404765324 2    765225 2      C-13-H3C(O)CH3
  274276.9018  0.0294 -6.6960 3  309.6495268  595161404332311 3    332013 3      C-13-H3C(O)CH3
  274284.6303  0.3649 -6.4704 3 1651.9044C24  595161404765323 1    765224 1      C-13-H3C(O)CH3
  274297.3790  0.0077 -5.2101 3   35.8397200  59516140412 9 4 1    11 6 5 1      C-13-H3C(O)CH3
  274300.0969  0.1388 -6.3723 3 1421.8331564  595161404705120 3    705021 3      C-13-H3C(O)CH3
  274317.0291  0.0105 -6.8175 3   24.9291 84  59516140410 9 2 3     9 6 4 3      C-13-H3C(O)CH3
  274356.4134  0.0084 -6.1858 3  345.3309292  595161404361818 3    352115 3      C-13-H3C(O)CH3
  274358.7951  0.0085 -6.1858 3  345.3308292  595161404361818 4    352115 4      C-13-H3C(O)CH3
  274365.7984  0.2118 -6.5649 3 1534.5090588  595161404735222 4    735123 4      C-13-H3C(O)CH3
  274369.1565  0.0032 -4.2258 3   59.7554248  5951614041511 5 1    1410 5 1      C-13-H3C(O)CH3
  274373.5579  0.0060 -5.4231 3   35.8926100  59516140412 9 4 3    11 6 5 3      C-13-H3C(O)CH3
  274381.5313  0.0074 -6.4811 3  115.4850172  595161404211210 4    21 913 4      C-13-H3C(O)CH3
  274383.3238  0.3310 -6.4702 3 1651.8876C24  595161404765323 2    765224 2      C-13-H3C(O)CH3
  274386.3818  0.0607 -5.8242 3 1053.8927476  595161404594811 4    594712 4      C-13-H3C(O)CH3
  274386.8776  0.1492 -6.0709 3 1421.7906B28  595161404705120 1    705021 1      C-13-H3C(O)CH3
  274387.2829  0.0054 -6.4811 3  115.4850172  595161404211210 3    21 913 3      C-13-H3C(O)CH3
  274392.3332  0.0514 -5.8242 3 1053.8613476  595161404594812 3    594713 3      C-13-H3C(O)CH3
  274406.4183  0.1499 -6.3721 3 1421.8804564  595161404705119 4    705020 4      C-13-H3C(O)CH3
  274412.3693  0.0058 -4.6742 3  366.0157332  59516140441 932 4    41 833 4      C-13-H3C(O)CH3
  274412.3693  0.0058 -4.6742 3  366.0157332  595161404411032 4    41 933 4      C-13-H3C(O)CH3
  274412.6522  0.0055 -7.0364 3  366.0157332  595161404411032 3    41 833 3      C-13-H3C(O)CH3
  274412.6522  0.0055 -7.0364 3  366.0157332  59516140441 932 3    41 933 3      C-13-H3C(O)CH3
  274412.6522  0.0055 -4.6758 3  366.0157332  595161404411032 3    41 933 3      C-13-H3C(O)CH3
  274412.6522  0.0055 -4.6758 3  366.0157332  59516140441 932 3    41 833 3      C-13-H3C(O)CH3
  274420.2674  0.0538 -5.8242 3 1053.8728476  595161404594811 3    594712 3      C-13-H3C(O)CH3
  274425.7396  0.0088 -5.8850 3  345.3570584  595161404361818 1    352115 1      C-13-H3C(O)CH3
  274426.2088  0.3973 -6.4700 3 1651.8632C24  595161404765323 0    765224 0      C-13-H3C(O)CH3
  274426.2630  0.0515 -5.8242 3 1053.8414476  595161404594812 4    594713 4      C-13-H3C(O)CH3
  274426.7593  0.0021 -5.9081 3   59.7972124  5951614041511 5 3    1410 5 3      C-13-H3C(O)CH3
  274428.1487  0.3972 -6.4700 3 1651.8631C24  595161404765324 0    765225 0      C-13-H3C(O)CH3
  274433.3361  0.0111 -5.7260 3  229.8989472  595161404291712 2    291415 2      C-13-H3C(O)CH3
  274444.1314  0.1572 -6.0708 3 1421.7934B28  595161404705120 2    705021 2      C-13-H3C(O)CH3
  274448.2427  0.0033 -4.2822 3   59.7589248  5951614041511 5 2    1410 5 2      C-13-H3C(O)CH3
  274450.5310  0.0089 -5.8825 3  345.3516584  595161404361818 2    352115 2      C-13-H3C(O)CH3
  274456.3738  0.0708 -5.9913 3 1179.6991508  595161404634915 4    634816 4      C-13-H3C(O)CH3
  274461.7286  0.0729 -5.9913 3 1179.7343508  595161404634915 3    634816 3      C-13-H3C(O)CH3
  274464.0710  0.0809 -5.9983 3 1266.5344556  595161404693435 4    693336 4      C-13-H3C(O)CH3
  274464.0795  0.0808 -5.9983 3 1266.5344556  595161404693435 3    693336 3      C-13-H3C(O)CH3
  274464.2534  0.0808 -5.9983 3 1266.5344556  595161404693535 4    693436 4      C-13-H3C(O)CH3
  274464.2626  0.0808 -5.9983 3 1266.5344556  595161404693535 3    693436 3      C-13-H3C(O)CH3
  274475.2418  0.0461 -5.5230 3 1053.8605952  595161404594811 2    594712 2      C-13-H3C(O)CH3
  274481.3806  0.0405 -5.5230 3 1053.8292952  595161404594812 2    594713 2      C-13-H3C(O)CH3
  274483.9461  0.0775 -5.6972 3 1266.5157B12  595161404693435 1    693336 1      C-13-H3C(O)CH3
  274484.1207  0.0776 -5.6972 3 1266.5157B12  595161404693535 1    693436 1      C-13-H3C(O)CH3
  274489.7216  0.0099 -5.7253 3  229.9163472  595161404291712 0    291415 0      C-13-H3C(O)CH3
  274490.0087  0.0806 -5.6972 3 1266.5182B12  595161404693435 2    693336 2      C-13-H3C(O)CH3
  274490.1643  0.0806 -5.6972 3 1266.5182B12  595161404693535 2    693436 2      C-13-H3C(O)CH3
  274493.2589  0.1719 -6.0708 3 1421.8378B28  595161404705119 1    705020 1      C-13-H3C(O)CH3
  274503.4292  0.0015 -4.2083 3  100.2423164 -59516140420 911 3    191010 3      C-13-H3C(O)CH3
  274504.8875  0.0054 -6.1547 3  366.0358664 -59516140441 932 2    41 833 2      C-13-H3C(O)CH3
  274504.9099  0.0054 -4.3797 3  366.0358664  59516140441 932 2    41 933 2      C-13-H3C(O)CH3
  274504.9099  0.0054 -6.1547 3  366.0358664  595161404411032 2    41 933 2      C-13-H3C(O)CH3
  274504.9099  0.0054 -4.3797 3  366.0358664  595161404411032 2    41 833 2      C-13-H3C(O)CH3
  274505.4548  0.1852 -6.5647 3 1534.5466588  595161404735222 3    735123 3      C-13-H3C(O)CH3
  274505.5110  0.0016 -4.2083 3  100.2423164 -59516140420 911 4    191010 4      C-13-H3C(O)CH3
  274506.4119  0.0097 -6.6717 3   24.9291 84  59516140410 9 1 3     9 6 4 3      C-13-H3C(O)CH3
  274507.4511  0.0055 -5.3214 3  366.0365664  59516140441 932 1    41 933 1      C-13-H3C(O)CH3
  274507.4511  0.0055 -5.3214 3  366.0365664  595161404411032 1    41 833 1      C-13-H3C(O)CH3
  274507.5513  0.0055 -4.4244 3  366.0365664 -595161404411032 1    41 933 1      C-13-H3C(O)CH3
  274507.5513  0.0055 -4.4244 3  366.0365664 -59516140441 932 1    41 833 1      C-13-H3C(O)CH3
  274509.8741  0.0774 -5.6971 3 1266.4996B12  595161404693435 0    693336 0      C-13-H3C(O)CH3
  274510.0224  0.0774 -5.6971 3 1266.4996B12  595161404693535 0    693436 0      C-13-H3C(O)CH3
  274515.0796  0.2130 -6.5647 3 1534.5556588  595161404735221 3    735122 3      C-13-H3C(O)CH3
  274519.5569  0.0083 -5.8827 3  345.3778584  595161404361818 0    352115 0      C-13-H3C(O)CH3
  274529.9093  0.0766 -5.9912 3 1179.7395508  595161404634914 3    634815 3      C-13-H3C(O)CH3
  274534.8150  0.0054 -6.1765 3  115.4671344  595161404211210 2    21 913 2      C-13-H3C(O)CH3
  274534.9746  0.0833 -5.9912 3 1179.7747508  595161404634914 4    634815 4      C-13-H3C(O)CH3
  274541.4983  0.0198 -5.7033 3  309.6780536  595161404332310 1    332013 1      C-13-H3C(O)CH3
  274551.2428  0.0090 -5.2023 3   35.8359200  59516140412 9 4 2    11 6 5 2      C-13-H3C(O)CH3
  274553.1095  0.0433 -5.5228 3 1053.8520952  595161404594811 1    594712 1      C-13-H3C(O)CH3
  274567.9150  0.2294 -6.2634 3 1534.5122B76  595161404735222 1    735123 1      C-13-H3C(O)CH3
  274586.8948  0.0415 -5.5228 3 1053.8322952  595161404594812 1    594713 1      C-13-H3C(O)CH3
  274587.8334  0.1587 -6.0706 3 1421.8344B28  595161404705119 2    705020 2      C-13-H3C(O)CH3
  274589.4699  0.2430 -6.7779 3 1687.2999636  595161404794237 4    794138 4      C-13-H3C(O)CH3
  274589.5364  0.2430 -6.7779 3 1687.2999636  595161404794237 3    794138 3      C-13-H3C(O)CH3
  274590.1224  0.0053 -6.1774 3  115.4689344  595161404211210 1    21 913 1      C-13-H3C(O)CH3
  274599.4520  0.0049 -4.3747 3  366.0565664 -595161404411032 0    41 933 0      C-13-H3C(O)CH3
  274599.4520  0.0049 -4.3747 3  366.0565664 -59516140441 932 0    41 833 0      C-13-H3C(O)CH3
  274599.5619  0.0049 -6.6063 3  366.0565664  59516140441 932 0    41 933 0      C-13-H3C(O)CH3
  274599.5619  0.0049 -6.6063 3  366.0565664  595161404411032 0    41 833 0      C-13-H3C(O)CH3
  274600.5439  0.0017 -3.9073 3  100.2228328 -59516140420 911 1    191010 1      C-13-H3C(O)CH3
  274601.1914  0.0017 -3.9077 3  100.2200328 -59516140420 911 2    191010 2      C-13-H3C(O)CH3
  274612.4809  0.0614 -5.6899 3 1179.6944A16  595161404634915 2    634816 2      C-13-H3C(O)CH3
  274613.6040  0.2403 -6.7778 3 1687.3000636  595161404794337 4    794238 4      C-13-H3C(O)CH3
  274613.6776  0.2402 -6.7778 3 1687.3000636  595161404794337 3    794238 3      C-13-H3C(O)CH3
  274613.9552  0.2403 -6.4768 3 1687.2938C72  595161404794237 1    794138 1      C-13-H3C(O)CH3
  274626.7367  0.2458 -6.4768 3 1687.2974C72  595161404794237 2    794138 2      C-13-H3C(O)CH3
  274634.0320  0.0263 -6.3591 3  189.7420212  5951614042618 9 4    2519 6 4      C-13-H3C(O)CH3
  274638.3265  0.2409 -6.4767 3 1687.2939C72  595161404794337 1    794238 1      C-13-H3C(O)CH3
  274641.3168  0.0347 -5.5226 3 1053.8199952  595161404594811 0    594712 0      C-13-H3C(O)CH3
  274641.3168  0.0347 -5.5226 3 1053.8199952  595161404594812 0    594713 0      C-13-H3C(O)CH3
  274648.9019  0.2432 -6.4767 3 1687.2975C72  595161404794337 2    794238 2      C-13-H3C(O)CH3
  274651.0941  0.2413 -6.4767 3 1687.2913C72  595161404794237 0    794138 0      C-13-H3C(O)CH3
  274654.4234  0.1988 -6.5644 3 1534.5933588  595161404735221 4    735122 4      C-13-H3C(O)CH3
  274673.4697  0.2420 -6.4766 3 1687.2915C72  595161404794337 0    794238 0      C-13-H3C(O)CH3
  274674.6977  0.1802 -6.0703 3 1421.7919B28  595161404705119 0    705020 0      C-13-H3C(O)CH3
  274674.7363  0.1802 -6.0703 3 1421.7919B28  595161404705120 0    705021 0      C-13-H3C(O)CH3
  274680.3300  0.0311 -5.4892 3  755.8905776  5951614044846 2 0    4845 4 0      C-13-H3C(O)CH3
  274680.3300  0.0311 -5.4892 3  755.8905776  5951614044846 3 0    4845 3 0      C-13-H3C(O)CH3
  274681.4040  0.0602 -5.6898 3 1179.6916A16  595161404634915 1    634816 1      C-13-H3C(O)CH3
  274684.7848  0.2323 -6.2631 3 1534.5109B76  595161404735222 2    735123 2      C-13-H3C(O)CH3
  274685.6163  0.0684 -5.6898 3 1179.7348A16  595161404634914 2    634815 2      C-13-H3C(O)CH3
  274686.5930  0.0627 -5.6898 3 1179.7268A16  595161404634914 1    634815 1      C-13-H3C(O)CH3
  274694.0574  0.0386 -5.4890 3  755.8814776  5951614044846 3 2    4845 4 2      C-13-H3C(O)CH3
  274697.0723  0.0016 -3.9077 3  100.2005328 -59516140420 911 0    191010 0      C-13-H3C(O)CH3
  274716.8252  0.2566 -6.2632 3 1534.5588B76  595161404735221 1    735122 1      C-13-H3C(O)CH3
  274718.7622  0.0137 -6.0292 3  229.8857236  595161404291712 3    291415 3      C-13-H3C(O)CH3
  274726.0817  0.0153 -6.0292 3  229.8857236  595161404291712 4    291415 4      C-13-H3C(O)CH3
  274740.2298  0.0053 -6.1736 3  115.4511344  595161404211210 0    21 913 0      C-13-H3C(O)CH3
  274764.4573  0.0303 -5.3938 3  910.1097872  5951614045447 7 2    5446 8 2      C-13-H3C(O)CH3
  274770.6386  0.0088 -4.7879 3  731.5988872  595161404542133 0    542034 0      C-13-H3C(O)CH3
  274770.6386  0.0088 -4.7879 3  731.5988872  595161404542233 0    542134 0      C-13-H3C(O)CH3
  274774.3581  0.0114 -5.7276 3  229.9032472  595161404291712 1    291415 1      C-13-H3C(O)CH3
  274783.2960  0.0268 -5.9674 3  309.6491268  595161404332310 4    332013 4      C-13-H3C(O)CH3
  274797.0219  0.0408 -5.6947 3  910.1305436  5951614045447 8 4    5446 8 4      C-13-H3C(O)CH3
  274824.1498  0.2307 -6.2629 3 1534.5487B76  595161404735221 2    735122 2      C-13-H3C(O)CH3
  274827.0095  0.0062 -5.4163 3  341.2857324  59516140440 832 4    40 833 4      C-13-H3C(O)CH3
  274827.0095  0.0062 -4.7548 3  341.2857324  59516140440 832 4    40 733 4      C-13-H3C(O)CH3
  274827.0095  0.0062 -5.4163 3  341.2857324  59516140440 932 4    40 733 4      C-13-H3C(O)CH3
  274827.0095  0.0062 -4.7548 3  341.2857324  59516140440 932 4    40 833 4      C-13-H3C(O)CH3
  274827.3067  0.0058 -4.6692 3  341.2857324  59516140440 932 3    40 733 3      C-13-H3C(O)CH3
  274827.3067  0.0058 -4.6692 3  341.2857324  59516140440 832 3    40 833 3      C-13-H3C(O)CH3
  274829.4940  0.0101 -4.7878 3  731.5891872  595161404542133 1    542034 1      C-13-H3C(O)CH3
  274829.4940  0.0101 -4.7881 3  731.5891872  595161404542233 1    542134 1      C-13-H3C(O)CH3
  274830.4035  0.0123 -4.7905 3  731.5887872  595161404542133 2    542034 2      C-13-H3C(O)CH3
  274830.4035  0.0123 -6.9588 3  731.5887872  595161404542233 2    542034 2      C-13-H3C(O)CH3
  274830.4035  0.0123 -4.7931 3  731.5887872  595161404542233 2    542134 2      C-13-H3C(O)CH3
  274830.4035  0.0123 -6.6816 3  731.5887872  595161404542133 2    542134 2      C-13-H3C(O)CH3
  274836.8496  0.0586 -5.6894 3 1179.6869A16  595161404634914 0    634815 0      C-13-H3C(O)CH3
  274836.8496  0.0586 -5.6894 3 1179.6869A16  595161404634915 0    634816 0      C-13-H3C(O)CH3
  274846.4241  0.0358 -5.6948 3  910.1366436  5951614045447 7 3    5446 8 3      C-13-H3C(O)CH3
  274848.5657  0.0214 -6.8744 3  309.6614536  595161404332311 2    332013 2      C-13-H3C(O)CH3
  274884.1335  0.0296 -6.0532 3  309.6495268  595161404332310 3    332013 3      C-13-H3C(O)CH3
  274886.6708  0.2738 -6.2627 3 1534.5142B76  595161404735221 0    735122 0      C-13-H3C(O)CH3
  274886.9629  0.2738 -6.2627 3 1534.5142B76  595161404735222 0    735123 0      C-13-H3C(O)CH3
  274889.3481  0.0120 -5.0885 3  731.5790436  595161404542133 3    542034 3      C-13-H3C(O)CH3
  274889.3481  0.0120 -5.0889 3  731.5790436  595161404542233 3    542134 3      C-13-H3C(O)CH3
  274889.4737  0.0121 -5.0883 3  731.5789436  595161404542133 4    542034 4      C-13-H3C(O)CH3
  274889.4737  0.0121 -5.0883 3  731.5789436  595161404542233 4    542134 4      C-13-H3C(O)CH3
  274890.1883  0.0304 -5.3937 3  910.1015872  5951614045447 8 2    5446 9 2      C-13-H3C(O)CH3
  274897.3539  0.0272 -5.3936 3  910.0882872  5951614045447 7 0    5446 9 0      C-13-H3C(O)CH3
  274897.3539  0.0272 -5.3936 3  910.0882872  5951614045447 8 0    5446 8 0      C-13-H3C(O)CH3
  274900.4313  0.0368 -5.4887 3  755.9015776  5951614044846 3 1    4845 4 1      C-13-H3C(O)CH3
  274904.6151  0.0361 -5.4889 3  755.9429776  5951614044846 2 1    4845 3 1      C-13-H3C(O)CH3
  274913.8773  0.0544 -5.7895 3  755.8924388  5951614044846 3 4    4845 4 4      C-13-H3C(O)CH3
  274918.4837  0.0529 -5.7898 3  755.9338388  5951614044846 3 3    4845 3 3      C-13-H3C(O)CH3
  274922.8395  0.0384 -5.6946 3  910.1222436  5951614045447 8 3    5446 9 3      C-13-H3C(O)CH3
  274930.8636  0.0307 -5.3935 3  910.1091872  5951614045447 8 1    5446 9 1      C-13-H3C(O)CH3
  274936.8357  0.0403 -5.4888 3  755.9189776  5951614044846 2 2    4845 3 2      C-13-H3C(O)CH3
  274954.8702  0.0053 -4.8882 3  341.3004648  59516140440 932 2    40 733 2      C-13-H3C(O)CH3
  274954.8702  0.0053 -4.8882 3  341.3004648  59516140440 832 2    40 833 2      C-13-H3C(O)CH3
  274954.8707  0.0053 -4.5234 3  341.3004648 -59516140440 832 2    40 733 2      C-13-H3C(O)CH3
  274954.8707  0.0053 -4.5234 3  341.3004648 -59516140440 932 2    40 833 2      C-13-H3C(O)CH3
  274957.3129  0.0054 -4.6316 3  341.3011648  59516140440 832 1    40 733 1      C-13-H3C(O)CH3
  274957.3129  0.0054 -4.6316 3  341.3011648  59516140440 932 1    40 833 1      C-13-H3C(O)CH3
  274957.4396  0.0054 -4.7092 3  341.3011648 -59516140440 932 1    40 733 1      C-13-H3C(O)CH3
  274957.4396  0.0054 -4.7092 3  341.3011648 -59516140440 832 1    40 833 1      C-13-H3C(O)CH3
  274961.7323  0.0179 -5.6628 3  309.6902536  595161404332310 0    332013 0      C-13-H3C(O)CH3
  274972.8228  0.0385 -5.6946 3  910.1283436  5951614045447 7 4    5446 9 4      C-13-H3C(O)CH3
  274979.6093  0.0139 -5.4455 3  249.0921472  5951614042923 7 0    2824 4 0      C-13-H3C(O)CH3
  274980.0284  0.0282 -5.3936 3  910.1152872  5951614045447 7 1    5446 8 1      C-13-H3C(O)CH3
  274980.1557  0.0139 -5.4455 3  249.0921472  5951614042923 6 0    2824 5 0      C-13-H3C(O)CH3
  275017.0670  0.0125 -6.3128 3  142.6621360  5951614042218 5 0    2215 8 0      C-13-H3C(O)CH3
  275084.6504  0.0049 -4.7885 3  341.3157648 -59516140440 832 0    40 833 0      C-13-H3C(O)CH3
  275084.6504  0.0049 -4.6915 3  341.3157648 -59516140440 932 0    40 733 0      C-13-H3C(O)CH3
  275084.6615  0.0049 -4.6459 3  341.3157648  59516140440 832 0    40 733 0      C-13-H3C(O)CH3
  275084.6615  0.0049 -4.5740 3  341.3157648  59516140440 932 0    40 833 0      C-13-H3C(O)CH3
  275117.2285  0.0016 -4.1080 3  106.3080172 -59516140421 813 3    20 912 3      C-13-H3C(O)CH3
  275117.2285  0.0016 -4.1080 3  106.3080172 -59516140421 813 4    20 912 4      C-13-H3C(O)CH3
  275129.8709  0.0016 -4.1079 3  106.3077172 -59516140421 913 4    20 812 4      C-13-H3C(O)CH3
  275129.8709  0.0016 -4.1079 3  106.3077172 -59516140421 913 3    20 812 3      C-13-H3C(O)CH3
  275157.7385  0.0551 -5.7893 3  755.9298388  5951614044846 2 3    4845 4 3      C-13-H3C(O)CH3
  275163.2560  0.0549 -5.7895 3  755.9712388  5951614044846 2 4    4845 3 4      C-13-H3C(O)CH3
  275202.4140  0.0017 -3.8068 3  106.2891344 -59516140421 813 1    20 912 1      C-13-H3C(O)CH3
  275206.3885  0.0017 -3.8070 3  106.2871344 -59516140421 813 2    20 912 2      C-13-H3C(O)CH3
  275208.7523  0.0068 -5.8169 3  317.1469316  59516140439 732 4    39 733 4      C-13-H3C(O)CH3
  275208.7523  0.0068 -4.7046 3  317.1469316  59516140439 832 4    39 733 4      C-13-H3C(O)CH3
  275208.7523  0.0068 -5.8169 3  317.1469316  59516140439 832 4    39 633 4      C-13-H3C(O)CH3
  275208.7523  0.0068 -4.7046 3  317.1469316  59516140439 732 4    39 633 4      C-13-H3C(O)CH3
  275209.0421  0.0063 -4.7253 3  317.1469316  59516140439 732 3    39 733 3      C-13-H3C(O)CH3
  275209.0421  0.0063 -5.6123 3  317.1469316  59516140439 832 3    39 733 3      C-13-H3C(O)CH3
  275209.0421  0.0063 -4.7253 3  317.1469316  59516140439 832 3    39 633 3      C-13-H3C(O)CH3
  275209.0421  0.0063 -5.6123 3  317.1469316  59516140439 732 3    39 633 3      C-13-H3C(O)CH3
  275213.0041  0.0128 -5.4438 3  249.0651472  5951614042923 6 2    2824 4 2      C-13-H3C(O)CH3
  275215.1146  0.0017 -3.8068 3  106.2887344 -59516140421 913 1    20 812 1      C-13-H3C(O)CH3
  275218.6940  0.0015 -4.2054 3  100.2234164 -595161404201011 4    19 910 4      C-13-H3C(O)CH3
  275219.5138  0.0017 -3.8070 3  106.2867344 -59516140421 913 2    20 812 2      C-13-H3C(O)CH3
  275221.9624  0.0016 -4.2054 3  100.2232164 -595161404201011 3    19 910 3      C-13-H3C(O)CH3
  275234.8558  0.0135 -5.4453 3  249.0286472  5951614042923 7 1    2824 5 1      C-13-H3C(O)CH3
  275250.9394  0.0177 -6.8441 3  142.6542360  5951614042218 4 1    2215 8 1      C-13-H3C(O)CH3
  275274.8026  0.0234 -5.6918 3  309.6614536  595161404332310 2    332013 2      C-13-H3C(O)CH3
  275291.3846  0.0016 -3.8070 3  106.2682344 -59516140421 813 0    20 912 0      C-13-H3C(O)CH3
  275304.6262  0.0016 -3.8069 3  106.2679344 -59516140421 913 0    20 812 0      C-13-H3C(O)CH3
  275308.7438  0.1408 -6.3693 3 1469.9676596  595161404743836 4    743737 4      C-13-H3C(O)CH3
  275308.7960  0.1408 -6.3693 3 1469.9676596  595161404743836 3    743737 3      C-13-H3C(O)CH3
  275311.0682  0.1406 -6.3693 3 1469.9676596  595161404743936 4    743837 4      C-13-H3C(O)CH3
  275311.1236  0.1406 -6.3693 3 1469.9676596  595161404743936 3    743837 3      C-13-H3C(O)CH3
  275324.1352  0.0016 -3.9044 3  100.2036328 -595161404201011 1    19 910 1      C-13-H3C(O)CH3
  275339.0974  0.1417 -6.0682 3 1469.9532B92  595161404743836 1    743737 1      C-13-H3C(O)CH3
  275341.3947  0.1419 -6.0682 3 1469.9532B92  595161404743936 1    743837 1      C-13-H3C(O)CH3
  275343.3156  0.0017 -3.9048 3  100.2003328 -595161404201011 2    19 910 2      C-13-H3C(O)CH3
  275345.9825  0.0069 -5.1260 3   35.7826200  59516140412 9 4 0    11 6 5 0      C-13-H3C(O)CH3
  275346.8187  0.1428 -6.0682 3 1469.9565B92  595161404743836 2    743737 2      C-13-H3C(O)CH3
  275347.7115  0.0136 -5.4440 3  249.0474472  5951614042923 6 1    2824 4 1      C-13-H3C(O)CH3
  275348.8796  0.1426 -6.0682 3 1469.9565B92  595161404743936 2    743837 2      C-13-H3C(O)CH3
  275357.7656  0.0166 -5.7678 3  189.7422424  5951614042618 9 1    2519 6 1      C-13-H3C(O)CH3
  275376.2090  0.0053 -4.6046 3  317.1547632 -59516140439 832 2    39 633 2      C-13-H3C(O)CH3
  275376.2090  0.0053 -4.7509 3  317.1547632 -59516140439 732 2    39 633 2      C-13-H3C(O)CH3
  275376.2474  0.0053 -4.6046 3  317.1547632  59516140439 732 2    39 733 2      C-13-H3C(O)CH3
  275376.2474  0.0053 -4.7509 3  317.1547632  59516140439 832 2    39 733 2      C-13-H3C(O)CH3
  275377.0772  0.1425 -6.0680 3 1469.9421B92  595161404743836 0    743737 0      C-13-H3C(O)CH3
  275378.2283  0.0137 -5.4441 3  249.0398472  5951614042923 7 2    2824 5 2      C-13-H3C(O)CH3
  275378.5294  0.0056 -4.4385 3  317.1553632  59516140439 732 1    39 733 1      C-13-H3C(O)CH3
  275378.5294  0.0056 -4.4385 3  317.1553632  59516140439 832 1    39 633 1      C-13-H3C(O)CH3
  275378.5745  0.0056 -5.2106 3  317.1553632 -59516140439 732 1    39 633 1      C-13-H3C(O)CH3
  275378.5745  0.0056 -5.2106 3  317.1553632 -59516140439 832 1    39 733 1      C-13-H3C(O)CH3
  275379.1105  0.1426 -6.0680 3 1469.9421B92  595161404743936 0    743837 0      C-13-H3C(O)CH3
  275383.3188  0.0266 -5.2273 3 1001.5566A00  595161404622834 0    622735 0      C-13-H3C(O)CH3
  275383.3197  0.0266 -5.2273 3 1001.5566A00  595161404622934 0    622835 0      C-13-H3C(O)CH3
  275394.0007  0.0324 -6.8849 3  347.2271284  595161404352412 3    352114 3      C-13-H3C(O)CH3
  275397.0813  0.0300 -6.8833 3  347.2269284  595161404352412 4    352114 4      C-13-H3C(O)CH3
  275397.5941  0.0282 -5.2272 3 1001.5686A00  595161404622834 1    622735 1      C-13-H3C(O)CH3
  275397.5952  0.0282 -5.2272 3 1001.5686A00  595161404622934 1    622835 1      C-13-H3C(O)CH3
  275401.7420  0.0335 -5.2272 3 1001.5696A00  595161404622834 2    622735 2      C-13-H3C(O)CH3
  275401.7430  0.0335 -5.2272 3 1001.5696A00  595161404622934 2    622835 2      C-13-H3C(O)CH3
  275413.4150  0.0168 -6.7858 3  142.6580360  5951614042218 4 2    2215 8 2      C-13-H3C(O)CH3
  275416.0701  0.0342 -5.5281 3 1001.5816500  595161404622834 3    622735 3      C-13-H3C(O)CH3
  275416.0714  0.0342 -5.5281 3 1001.5816500  595161404622934 3    622835 3      C-13-H3C(O)CH3
  275416.1525  0.0343 -5.5281 3 1001.5817500  595161404622834 4    622735 4      C-13-H3C(O)CH3
  275416.1538  0.0343 -5.5281 3 1001.5817500  595161404622934 4    622835 4      C-13-H3C(O)CH3
  275446.5789  0.0016 -3.9048 3  100.1807328 -595161404201011 0    19 910 0      C-13-H3C(O)CH3
  275448.7334  0.0164 -5.5867 3  189.7478424  5951614042618 9 2    2519 6 2      C-13-H3C(O)CH3
  275464.8891  0.0143 -5.7446 3  249.0015236  5951614042923 7 3    2824 4 3      C-13-H3C(O)CH3
  275500.0261  0.3489 -6.8204 3 1869.2104D36  595161404834538 1    834439 1      C-13-H3C(O)CH3
  275521.3825  0.3696 -6.8204 3 1869.2136D36  595161404834538 2    834439 2      C-13-H3C(O)CH3
  275526.9499  0.0079 -6.1389 3   24.8153168  59516140410 9 1 0     9 6 4 0      C-13-H3C(O)CH3
  275530.5247  0.3495 -6.8203 3 1869.2147D36  595161404834538 0    834439 0      C-13-H3C(O)CH3
  275545.4378  0.0050 -4.4173 3  317.1631632  59516140439 832 0    39 733 0      C-13-H3C(O)CH3
  275545.4378  0.0050 -5.3559 3  317.1631632  59516140439 732 0    39 733 0      C-13-H3C(O)CH3
  275545.4384  0.0050 -5.3559 3  317.1631632 -59516140439 832 0    39 633 0      C-13-H3C(O)CH3
  275545.4384  0.0050 -4.4173 3  317.1631632 -59516140439 732 0    39 633 0      C-13-H3C(O)CH3
  275559.1978  0.0078 -4.6957 3  293.6003308  59516140438 732 4    38 633 4      C-13-H3C(O)CH3
  275559.1978  0.0078 -6.3223 3  293.6003308  59516140438 732 4    38 533 4      C-13-H3C(O)CH3
  275559.1978  0.0078 -4.6957 3  293.6003308  59516140438 632 4    38 533 4      C-13-H3C(O)CH3
  275559.1978  0.0078 -6.3223 3  293.6003308  59516140438 632 4    38 633 4      C-13-H3C(O)CH3
  275559.4512  0.0071 -4.7078 3  293.6002308  59516140438 732 3    38 633 3      C-13-H3C(O)CH3
  275559.4512  0.0071 -5.9870 3  293.6002308  59516140438 732 3    38 533 3      C-13-H3C(O)CH3
  275559.4512  0.0071 -5.9870 3  293.6002308  59516140438 632 3    38 633 3      C-13-H3C(O)CH3
  275559.4512  0.0071 -4.7078 3  293.6002308  59516140438 632 3    38 533 3      C-13-H3C(O)CH3
  275579.7480  0.0167 -5.7434 3  249.0203236  5951614042923 6 4    2824 4 4      C-13-H3C(O)CH3
  275595.6260  0.3491 -6.8202 3 1869.2109D36  595161404834638 1    834539 1      C-13-H3C(O)CH3
  275602.1629  0.0371 -5.6131 3  733.4323760  5951614044746 2 0    4745 3 0      C-13-H3C(O)CH3
  275602.1629  0.0371 -5.6131 3  733.4323760  5951614044746 1 0    4745 2 0      C-13-H3C(O)CH3
  275609.0707  0.3571 -6.8202 3 1869.2141D36  595161404834638 2    834539 2      C-13-H3C(O)CH3
  275620.1185  0.3498 -6.8201 3 1869.2152D36  595161404834638 0    834539 0      C-13-H3C(O)CH3
  275628.5155  0.0150 -5.7448 3  248.9764236  5951614042923 7 4    2824 5 4      C-13-H3C(O)CH3
  275653.9537  0.6214 -6.8482 3 1860.7438D04  595161404815527 1    815428 1      C-13-H3C(O)CH3
  275663.8657  0.0460 -5.6128 3  733.4183760  5951614044746 2 2    4745 3 2      C-13-H3C(O)CH3
  275670.9850  0.0225 -5.6067 3  347.2599568  595161404352411 1    352114 1      C-13-H3C(O)CH3
  275687.5792  0.0256 -6.5728 3  347.2425568  595161404352412 2    352114 2      C-13-H3C(O)CH3
  275705.5970  0.0081 -4.8586 3  699.2735856  595161404532133 0    532034 0      C-13-H3C(O)CH3
  275705.5970  0.0081 -5.3518 3  699.2735856  595161404532133 0    531934 0      C-13-H3C(O)CH3
  275705.5970  0.0081 -4.8584 3  699.2735856  595161404532033 0    531934 0      C-13-H3C(O)CH3
  275705.5970  0.0081 -5.3527 3  699.2735856  595161404532033 0    532034 0      C-13-H3C(O)CH3
  275742.7422  0.0137 -5.7436 3  248.9951236  5951614042923 6 3    2824 5 3      C-13-H3C(O)CH3
  275766.8088  0.0092 -4.7376 3  699.2603856  595161404532133 1    532034 1      C-13-H3C(O)CH3
  275766.8088  0.0092 -4.7380 3  699.2603856  595161404532033 1    531934 1      C-13-H3C(O)CH3
  275767.2729  0.0109 -5.4039 3  699.2598856  595161404532033 2    531934 2      C-13-H3C(O)CH3
  275767.2729  0.0109 -4.8428 3  699.2598856  595161404532033 2    532034 2      C-13-H3C(O)CH3
  275767.2729  0.0109 -5.3986 3  699.2598856  595161404532133 2    532034 2      C-13-H3C(O)CH3
  275767.2729  0.0109 -4.8443 3  699.2598856  595161404532133 2    531934 2      C-13-H3C(O)CH3
  275770.6843  0.0057 -4.8697 3  293.5996616 -59516140438 732 2    38 533 2      C-13-H3C(O)CH3
  275770.6843  0.0057 -4.5553 3  293.5996616 -59516140438 632 2    38 533 2      C-13-H3C(O)CH3
  275770.7121  0.0057 -4.5553 3  293.5996616  59516140438 732 2    38 633 2      C-13-H3C(O)CH3
  275770.7121  0.0057 -4.8697 3  293.5996616  59516140438 632 2    38 633 2      C-13-H3C(O)CH3
  275772.7739  0.0062 -4.8919 3  293.6001616  59516140438 632 1    38 633 1      C-13-H3C(O)CH3
  275772.7739  0.0062 -4.8919 3  293.6001616  59516140438 732 1    38 533 1      C-13-H3C(O)CH3
  275772.8564  0.0062 -4.5451 3  293.6001616 -59516140438 732 1    38 633 1      C-13-H3C(O)CH3
  275772.8564  0.0062 -4.5451 3  293.6001616 -59516140438 632 1    38 533 1      C-13-H3C(O)CH3
  275828.5755  0.0107 -5.0382 3  699.2466428  595161404532033 3    531934 3      C-13-H3C(O)CH3
  275828.5755  0.0107 -5.0384 3  699.2466428  595161404532133 3    532034 3      C-13-H3C(O)CH3
  275828.6916  0.0108 -5.0474 3  699.2466428  595161404532133 4    531934 4      C-13-H3C(O)CH3
  275828.6916  0.0108 -6.7143 3  699.2466428  595161404532033 4    531934 4      C-13-H3C(O)CH3
  275828.6916  0.0108 -5.0474 3  699.2466428  595161404532033 4    532034 4      C-13-H3C(O)CH3
  275828.6916  0.0108 -6.7143 3  699.2466428  595161404532133 4    532034 4      C-13-H3C(O)CH3
  275832.4908  0.0031 -4.2279 3   59.7972124  5951614041511 4 3    1410 5 3      C-13-H3C(O)CH3
  275845.2811  0.0432 -5.6128 3  733.4909760  5951614044746 1 1    4745 2 1      C-13-H3C(O)CH3
  275862.6945  0.0435 -5.6125 3  733.4437760  5951614044746 2 1    4745 3 1      C-13-H3C(O)CH3
  275879.8878  0.0091 -5.0580 3  270.6468300  59516140437 632 4    37 533 4      C-13-H3C(O)CH3
  275879.8878  0.0091 -4.9726 3  270.6468300  59516140437 632 4    37 433 4      C-13-H3C(O)CH3
  275879.8878  0.0091 -4.9726 3  270.6468300  59516140437 532 4    37 533 4      C-13-H3C(O)CH3
  275879.8878  0.0091 -5.0580 3  270.6468300  59516140437 532 4    37 433 4      C-13-H3C(O)CH3
  275880.0671  0.0084 -4.7433 3  270.6468300  59516140437 632 3    37 433 3      C-13-H3C(O)CH3
  275880.0671  0.0084 -5.8725 3  270.6468300  59516140437 632 3    37 533 3      C-13-H3C(O)CH3
  275880.0671  0.0084 -4.7433 3  270.6468300  59516140437 532 3    37 533 3      C-13-H3C(O)CH3
  275880.0671  0.0084 -5.8725 3  270.6468300  59516140437 532 3    37 433 3      C-13-H3C(O)CH3
  275884.7288  0.5904 -6.8478 3 1860.7764D04  595161404815526 1    815427 1      C-13-H3C(O)CH3
  275885.6834  0.0016 -4.0342 3  111.7628180 -59516140422 715 3    21 814 3      C-13-H3C(O)CH3
  275885.6834  0.0017 -4.0342 3  111.7629180 -59516140422 815 4    21 714 4      C-13-H3C(O)CH3
  275885.6834  0.0017 -4.0342 3  111.7629180 -59516140422 715 4    21 814 4      C-13-H3C(O)CH3
  275885.6834  0.0016 -4.0342 3  111.7628180 -59516140422 815 3    21 714 3      C-13-H3C(O)CH3
  275892.0313  0.5751 -6.8477 3 1860.7249D04  595161404815527 2    815428 2      C-13-H3C(O)CH3
  275907.5145  0.0626 -5.9135 3  733.4767380  5951614044746 2 3    4745 3 3      C-13-H3C(O)CH3
  275909.6254  0.0121 -5.7514 3  295.2779536  595161404331815 2    322112 2      C-13-H3C(O)CH3
  275918.4543  0.0505 -5.6126 3  733.4662760  5951614044746 1 2    4745 2 2      C-13-H3C(O)CH3
  275924.5544  0.0641 -5.9132 3  733.4296380  5951614044746 2 4    4745 3 4      C-13-H3C(O)CH3
  275937.7954  0.5649 -6.8477 3 1860.7505D04  595161404815526 2    815427 2      C-13-H3C(O)CH3
  275948.1580  0.0203 -5.6076 3  347.2755568  595161404352411 0    352114 0      C-13-H3C(O)CH3
  275953.5276  0.0283 -6.2465 3  356.4385584  595161404362115 2    352412 2      C-13-H3C(O)CH3
  275956.0774  0.0077 -4.9948 3  189.7484424  5951614042618 9 0    2519 6 0      C-13-H3C(O)CH3
  275960.7810  0.0018 -3.7330 3  111.7431360 -59516140422 715 1    21 814 1      C-13-H3C(O)CH3
  275960.7810  0.0018 -3.7330 3  111.7431360 -59516140422 815 1    21 714 1      C-13-H3C(O)CH3
  275962.9925  0.0018 -3.7332 3  111.7417360 -59516140422 715 2    21 814 2      C-13-H3C(O)CH3
  275962.9925  0.0018 -3.7332 3  111.7417360 -59516140422 815 2    21 714 2      C-13-H3C(O)CH3
  275972.7327  0.6562 -6.8475 3 1860.7449D04  595161404815526 0    815427 0      C-13-H3C(O)CH3
  275983.6395  0.0055 -6.9806 3  293.5995616  59516140438 732 0    38 533 0      C-13-H3C(O)CH3
  275983.6395  0.0055 -4.3839 3  293.5995616  59516140438 632 0    38 533 0      C-13-H3C(O)CH3
  275983.8586  0.0055 -6.9806 3  293.5995616 -59516140438 632 0    38 633 0      C-13-H3C(O)CH3
  275983.8586  0.0055 -4.3839 3  293.5995616 -59516140438 732 0    38 633 0      C-13-H3C(O)CH3
  275990.5333  0.6556 -6.8474 3 1860.7442D04  595161404815527 0    815428 0      C-13-H3C(O)CH3
  276001.8386  0.0184 -6.5312 3  180.4502204  5951614042519 7 4    251610 4      C-13-H3C(O)CH3
  276016.8642  0.0955 -6.1452 3 1281.6812532  595161404665017 4    664918 4      C-13-H3C(O)CH3
  276027.7000  0.0132 -6.0531 3  295.2557268  595161404331815 4    322112 4      C-13-H3C(O)CH3
  276030.0146  0.0078 -7.0134 3  117.2628344  5951614042112 9 2    2013 7 2      C-13-H3C(O)CH3
  276030.9855  0.0142 -6.0540 3  295.2554268  595161404331815 3    322112 3      C-13-H3C(O)CH3
  276031.1955  0.0086 -6.4918 3   24.8711168  59516140410 9 1 1     9 6 4 1      C-13-H3C(O)CH3
  276037.9123  0.0017 -3.7330 3  111.7220360 -59516140422 715 0    21 814 0      C-13-H3C(O)CH3
  276037.9123  0.0017 -3.7330 3  111.7220360 -59516140422 815 0    21 714 0      C-13-H3C(O)CH3
  276038.2638  0.0056 -6.6021 3  117.2846172  5951614042112 9 4    2013 7 4      C-13-H3C(O)CH3
  276051.4878  0.1014 -6.1452 3 1281.7244532  595161404665017 3    664918 3      C-13-H3C(O)CH3
  276077.5746  0.0086 -6.4859 3   24.8711168  59516140410 9 1 2     9 6 4 2      C-13-H3C(O)CH3
  276114.6512  0.0112 -5.7492 3  295.2985536  595161404331815 0    322112 0      C-13-H3C(O)CH3
  276115.8414  0.0299 -5.3929 3  884.6739856  5951614045347 7 2    5346 7 2      C-13-H3C(O)CH3
  276119.3820  0.0337 -6.7177 3  386.9496300  595161404372513 4    372215 4      C-13-H3C(O)CH3
  276123.3724  0.0999 -6.1451 3 1281.7246532  595161404665016 3    664917 3      C-13-H3C(O)CH3
  276125.2580  0.0185 -6.7784 3   61.8204124  5951614041512 4 4    1411 3 4      C-13-H3C(O)CH3
  276139.8404  0.0071 -5.1197 3  270.6360600  59516140437 632 2    37 433 2      C-13-H3C(O)CH3
  276139.8404  0.0071 -5.1197 3  270.6360600  59516140437 532 2    37 533 2      C-13-H3C(O)CH3
  276139.8530  0.0071 -4.5043 3  270.6360600 -59516140437 632 2    37 533 2      C-13-H3C(O)CH3
  276139.8530  0.0071 -4.5043 3  270.6360600 -59516140437 532 2    37 433 2      C-13-H3C(O)CH3
  276141.6061  0.0078 -5.3073 3  270.6365600 -59516140437 632 1    37 533 1      C-13-H3C(O)CH3
  276141.6061  0.0078 -5.3073 3  270.6365600 -59516140437 532 1    37 433 1      C-13-H3C(O)CH3
  276141.6260  0.0078 -4.4690 3  270.6365600  59516140437 632 1    37 433 1      C-13-H3C(O)CH3
  276141.6260  0.0078 -4.4690 3  270.6365600  59516140437 532 1    37 533 1      C-13-H3C(O)CH3
  276152.6214  0.0070 -6.7793 3  117.2691344  5951614042112 9 1    2013 7 1      C-13-H3C(O)CH3
  276157.6114  0.1076 -6.1450 3 1281.7678532  595161404665016 4    664917 4      C-13-H3C(O)CH3
  276160.8554  0.0358 -6.5459 3  356.4133292  595161404362115 3    352412 3      C-13-H3C(O)CH3
  276164.2973  0.0654 -5.9133 3  733.5247380  5951614044746 1 4    4745 2 4      C-13-H3C(O)CH3
  276164.7735  0.0566 -5.7972 3 1025.9464468  595161404584810 4    584711 4      C-13-H3C(O)CH3
  276169.1654  0.0324 -6.5458 3  356.4132292  595161404362115 4    352412 4      C-13-H3C(O)CH3
  276172.3133  0.0109 -4.7876 3  248.2876292  59516140436 532 4    36 433 4      C-13-H3C(O)CH3
  276172.3133  0.0109 -5.9319 3  248.2876292  59516140436 532 4    36 333 4      C-13-H3C(O)CH3
  276172.3133  0.0109 -4.7876 3  248.2876292  59516140436 432 4    36 333 4      C-13-H3C(O)CH3
  276172.3133  0.0109 -5.9319 3  248.2876292  59516140436 432 4    36 433 4      C-13-H3C(O)CH3
  276172.3715  0.0100 -4.9050 3  248.2875292  59516140436 532 3    36 333 3      C-13-H3C(O)CH3
  276172.3715  0.0100 -5.2983 3  248.2875292  59516140436 532 3    36 433 3      C-13-H3C(O)CH3
  276172.3715  0.0100 -4.9050 3  248.2875292  59516140436 432 3    36 433 3      C-13-H3C(O)CH3
  276172.3715  0.0100 -5.2983 3  248.2875292  59516140436 432 3    36 333 3      C-13-H3C(O)CH3
  276180.4706  0.0666 -5.9130 3  733.4774380  5951614044746 1 3    4745 2 3      C-13-H3C(O)CH3
  276185.1567  0.0405 -5.6938 3  884.6930428  5951614045347 7 4    5346 8 4      C-13-H3C(O)CH3
  276188.4094  0.0023 -3.9141 3   59.7338248  5951614041511 4 0    1410 5 0      C-13-H3C(O)CH3
  276205.4634  0.0489 -5.7971 3 1025.9185468  595161404584811 3    584712 3      C-13-H3C(O)CH3
  276208.9044  0.0496 -5.7972 3 1025.9315468  595161404584810 3    584711 3      C-13-H3C(O)CH3
  276218.4760  0.0331 -5.9581 3  347.2271284  595161404352411 3    352114 3      C-13-H3C(O)CH3
  276223.3830  0.0365 -5.9579 3  347.2269284  595161404352411 4    352114 4      C-13-H3C(O)CH3
  276226.9809  0.0275 -5.3928 3  884.6581856  5951614045347 7 0    5346 7 0      C-13-H3C(O)CH3
  276226.9809  0.0275 -5.3928 3  884.6581856  5951614045347 6 0    5346 8 0      C-13-H3C(O)CH3
  276227.5973  0.0122 -5.7503 3  295.2764536  595161404331815 1    322112 1      C-13-H3C(O)CH3
  276227.8440  0.0426 -5.4960 3 1025.9170936  595161404584810 2    584711 2      C-13-H3C(O)CH3
  276229.0521  0.0358 -5.6939 3  884.7051428  5951614045347 6 3    5346 7 3      C-13-H3C(O)CH3
  276230.8363  0.0897 -5.8437 3 1281.6815A64  595161404665017 2    664918 2      C-13-H3C(O)CH3
  276249.7589  0.0492 -5.7971 3 1025.9036468  595161404584811 4    584712 4      C-13-H3C(O)CH3
  276257.3192  0.0846 -5.8436 3 1281.6770A64  595161404665017 1    664918 1      C-13-H3C(O)CH3
  276268.6671  0.0384 -5.4960 3 1025.8892936  595161404584811 2    584712 2      C-13-H3C(O)CH3
  276270.4711  0.0296 -5.3928 3  884.6728856  5951614045347 6 2    5346 8 2      C-13-H3C(O)CH3
  276286.2212  0.0185 -5.7045 3  189.7041212  5951614042618 9 3    2519 6 3      C-13-H3C(O)CH3
  276291.6867  0.0932 -5.8436 3 1281.7202A64  595161404665016 1    664917 1      C-13-H3C(O)CH3
  276297.2529  0.0300 -5.3926 3  884.6772856  5951614045347 7 1    5346 8 1      C-13-H3C(O)CH3
  276304.3540  0.0305 -6.5715 3  386.9681600  595161404372513 2    372215 2      C-13-H3C(O)CH3
  276331.6163  0.0411 -5.4958 3 1025.9099936  595161404584810 1    584711 1      C-13-H3C(O)CH3
  276336.9306  0.0962 -5.8435 3 1281.7249A64  595161404665016 2    664917 2      C-13-H3C(O)CH3
  276340.0702  0.0381 -5.6936 3  884.6918428  5951614045347 7 3    5346 8 3      C-13-H3C(O)CH3
  276340.8024  0.0276 -5.3927 3  884.6893856  5951614045347 6 1    5346 7 1      C-13-H3C(O)CH3
  276375.5950  0.0385 -5.4958 3 1025.8950936  595161404584811 1    584712 1      C-13-H3C(O)CH3
  276384.6098  0.0382 -5.6937 3  884.7040428  5951614045347 6 4    5346 7 4      C-13-H3C(O)CH3
  276388.0878  0.0708 -5.9204 3 1225.6524548  595161404683335 3    683236 3      C-13-H3C(O)CH3
  276388.0928  0.0708 -5.9204 3 1225.6525548  595161404683335 4    683236 4      C-13-H3C(O)CH3
  276388.1550  0.0708 -5.9204 3 1225.6524548  595161404683435 3    683336 3      C-13-H3C(O)CH3
  276388.1596  0.0708 -5.9204 3 1225.6525548  595161404683435 4    683336 4      C-13-H3C(O)CH3
  276390.1335  0.0216 -6.1896 3  356.4587584  595161404362115 0    352412 0      C-13-H3C(O)CH3
  276393.9152  0.0324 -5.4957 3 1025.8806936  595161404584810 0    584712 0      C-13-H3C(O)CH3
  276393.9152  0.0324 -5.4957 3 1025.8806936  595161404584811 0    584711 0      C-13-H3C(O)CH3
  276401.0664  0.0067 -4.4091 3  270.6258600 -59516140437 632 0    37 533 0      C-13-H3C(O)CH3
  276401.0664  0.0067 -4.4091 3  270.6258600 -59516140437 532 0    37 433 0      C-13-H3C(O)CH3
  276403.1431  0.0667 -5.6193 3 1225.6335A96  595161404683335 1    683236 1      C-13-H3C(O)CH3
  276403.2065  0.0667 -5.6193 3 1225.6335A96  595161404683435 1    683336 1      C-13-H3C(O)CH3
  276408.8275  0.0703 -5.6193 3 1225.6358A96  595161404683335 2    683236 2      C-13-H3C(O)CH3
  276408.8836  0.0703 -5.6193 3 1225.6358A96  595161404683435 2    683336 2      C-13-H3C(O)CH3
  276423.8924  0.0664 -5.6193 3 1225.6169A96  595161404683335 0    683236 0      C-13-H3C(O)CH3
  276423.9454  0.0664 -5.6193 3 1225.6169A96  595161404683435 0    683336 0      C-13-H3C(O)CH3
  276437.8013  0.0122 -4.8415 3  226.5234284  59516140435 432 3    35 233 3      C-13-H3C(O)CH3
  276437.8013  0.0122 -4.8321 3  226.5234284  59516140435 332 3    35 333 3      C-13-H3C(O)CH3
  276437.8013  0.0122 -6.4967 3  226.5234284  59516140435 332 3    35 233 3      C-13-H3C(O)CH3
  276437.9218  0.0131 -4.9897 3  226.5234284  59516140435 432 4    35 233 4      C-13-H3C(O)CH3
  276437.9218  0.0131 -5.3484 3  226.5234284  59516140435 332 4    35 233 4      C-13-H3C(O)CH3
  276437.9218  0.0131 -4.9897 3  226.5234284  59516140435 332 4    35 333 4      C-13-H3C(O)CH3
  276437.9218  0.0131 -5.3484 3  226.5234284  59516140435 432 4    35 333 4      C-13-H3C(O)CH3
  276454.7689  0.0455 -5.8630 3  711.4698744  5951614044646 1 0    4645 2 0      C-13-H3C(O)CH3
  276454.7689  0.0455 -5.8630 3  711.4698744  5951614044646 0 0    4645 1 0      C-13-H3C(O)CH3
  276470.7818  0.0936 -5.8432 3 1281.6773A64  595161404665016 0    664917 0      C-13-H3C(O)CH3
  276470.7826  0.0936 -5.8432 3 1281.6773A64  595161404665017 0    664918 0      C-13-H3C(O)CH3
  276485.1193  0.0097 -5.8760 3  248.2649584  59516140436 532 2    36 333 2      C-13-H3C(O)CH3
  276485.1193  0.0097 -4.4720 3  248.2649584  59516140436 432 2    36 333 2      C-13-H3C(O)CH3
  276485.1193  0.0097 -4.4720 3  248.2649584  59516140436 532 2    36 433 2      C-13-H3C(O)CH3
  276485.1193  0.0097 -5.8760 3  248.2649584  59516140436 432 2    36 433 2      C-13-H3C(O)CH3
  276486.5260  0.0105 -4.4732 3  248.2654584 -59516140436 532 1    36 433 1      C-13-H3C(O)CH3
  276486.5260  0.0105 -4.4732 3  248.2654584 -59516140436 432 1    36 333 1      C-13-H3C(O)CH3
  276486.5775  0.0105 -5.8492 3  248.2654584  59516140436 532 1    36 333 1      C-13-H3C(O)CH3
  276486.5775  0.0105 -5.8492 3  248.2654584  59516140436 432 1    36 433 1      C-13-H3C(O)CH3
  276510.3697  0.0300 -5.6593 3  347.2425568  595161404352411 2    352114 2      C-13-H3C(O)CH3
  276552.9182  0.0059 -6.6178 3  102.8791164  595161404201010 3    20 713 3      C-13-H3C(O)CH3
  276559.4990  0.0084 -6.6177 3  102.8792164  595161404201010 4    20 713 4      C-13-H3C(O)CH3
  276569.6526  0.0552 -5.8626 3  711.4513744  5951614044646 1 2    4645 2 2      C-13-H3C(O)CH3
  276575.8041  0.0123 -5.5068 3  189.6944212  5951614042618 9 3    2519 7 3      C-13-H3C(O)CH3
  276581.9728  0.0090 -5.1209 3  189.7100424  5951614042618 9 2    2519 7 2      C-13-H3C(O)CH3
  276586.4270  0.0075 -4.6898 3  667.5238840  595161404522033 0    521934 0      C-13-H3C(O)CH3
  276586.4270  0.0075 -4.6898 3  667.5238840  595161404521933 0    521834 0      C-13-H3C(O)CH3
  276592.9183  0.0248 -6.1894 3  356.4337584  595161404362115 1    352412 1      C-13-H3C(O)CH3
  276629.8475  0.0660 -5.9515 3 1149.7694500  595161404624914 3    624815 3      C-13-H3C(O)CH3
  276646.4313  0.0648 -5.9515 3 1149.7374500  595161404624914 4    624815 4      C-13-H3C(O)CH3
  276648.2602  0.0085 -4.6973 3  667.5072840  595161404521933 1    521834 1      C-13-H3C(O)CH3
  276648.2602  0.0085 -6.2789 3  667.5072840  595161404522033 1    521834 1      C-13-H3C(O)CH3
  276648.2602  0.0085 -6.6468 3  667.5072840  595161404521933 1    521934 1      C-13-H3C(O)CH3
  276648.2602  0.0085 -4.6921 3  667.5072840  595161404522033 1    521934 1      C-13-H3C(O)CH3
  276648.2886  0.0097 -5.1921 3  667.5066840  595161404521933 2    521934 2      C-13-H3C(O)CH3
  276648.2886  0.0097 -4.8534 3  667.5066840  595161404521933 2    521834 2      C-13-H3C(O)CH3
  276648.2886  0.0097 -4.8430 3  667.5066840  595161404522033 2    521934 2      C-13-H3C(O)CH3
  276648.2886  0.0097 -5.2158 3  667.5066840  595161404522033 2    521834 2      C-13-H3C(O)CH3
  276658.5713  0.0091 -6.8539 3   24.9251 84  59516140410 9 1 4     9 6 4 4      C-13-H3C(O)CH3
  276665.4448  0.0073 -4.1616 3   59.7589248  5951614041511 4 2    1410 5 2      C-13-H3C(O)CH3
  276670.4740  0.0790 -5.9514 3 1149.8089500  595161404624913 4    624814 4      C-13-H3C(O)CH3
  276677.7543  0.0149 -5.8391 3  205.3553276  59516140434 232 3    34 233 3      C-13-H3C(O)CH3
  276677.7543  0.0149 -5.0200 3  205.3553276  59516140434 232 3    34 133 3      C-13-H3C(O)CH3
  276677.7543  0.0149 -5.0200 3  205.3553276  59516140434 332 3    34 233 3      C-13-H3C(O)CH3
  276677.7543  0.0149 -5.8391 3  205.3553276  59516140434 332 3    34 133 3      C-13-H3C(O)CH3
  276678.1226  0.0158 -4.9724 3  205.3554276  59516140434 232 4    34 233 4      C-13-H3C(O)CH3
  276678.1226  0.0158 -6.4655 3  205.3554276  59516140434 232 4    34 133 4      C-13-H3C(O)CH3
  276678.1226  0.0158 -6.4655 3  205.3554276  59516140434 332 4    34 233 4      C-13-H3C(O)CH3
  276678.1226  0.0158 -4.9724 3  205.3554276  59516140434 332 4    34 133 4      C-13-H3C(O)CH3
  276687.2531  0.0711 -5.9514 3 1149.7769500  595161404624913 3    624814 3      C-13-H3C(O)CH3
  276697.3314  0.0060 -6.3130 3  102.8553328  595161404201010 2    20 713 2      C-13-H3C(O)CH3
  276710.2124  0.0096 -6.9069 3  667.4900420  595161404521933 3    521834 3      C-13-H3C(O)CH3
  276710.2124  0.0096 -4.9955 3  667.4900420  595161404521933 3    521934 3      C-13-H3C(O)CH3
  276710.2124  0.0096 -4.9952 3  667.4900420  595161404522033 3    521834 3      C-13-H3C(O)CH3
  276710.2124  0.0096 -6.9384 3  667.4900420  595161404522033 3    521934 3      C-13-H3C(O)CH3
  276710.3135  0.0097 -5.5465 3  667.4900420  595161404522033 4    521834 4      C-13-H3C(O)CH3
  276710.3135  0.0097 -5.5349 3  667.4900420  595161404521933 4    521934 4      C-13-H3C(O)CH3
  276710.3135  0.0097 -5.1316 3  667.4900420  595161404522033 4    521934 4      C-13-H3C(O)CH3
  276710.3135  0.0097 -5.1361 3  667.4900420  595161404521933 4    521834 4      C-13-H3C(O)CH3
  276713.2103  0.0517 -5.8627 3  711.5346744  5951614044646 0 1    4645 1 1      C-13-H3C(O)CH3
  276755.3504  0.0519 -5.8623 3  711.4819744  5951614044646 1 1    4645 2 1      C-13-H3C(O)CH3
  276759.6083  0.0222 -5.1616 3  964.6363984  595161404612734 0    612635 0      C-13-H3C(O)CH3
  276759.6086  0.0222 -5.1616 3  964.6363984  595161404612834 0    612735 0      C-13-H3C(O)CH3
  276767.0938  0.0540 -5.6501 3 1149.7324A00  595161404624914 2    624815 2      C-13-H3C(O)CH3
  276775.8550  0.0063 -5.8527 3   35.8397200  59516140412 9 3 1    11 6 5 1      C-13-H3C(O)CH3
  276778.4831  0.0080 -5.0728 3  189.6948424  5951614042618 9 1    2519 7 1      C-13-H3C(O)CH3
  276781.6752  0.0240 -5.1615 3  964.6462984  595161404612734 1    612635 1      C-13-H3C(O)CH3
  276781.6756  0.0240 -5.1615 3  964.6462984  595161404612834 1    612735 1      C-13-H3C(O)CH3
  276785.4766  0.0293 -5.1615 3  964.6471984  595161404612734 2    612635 2      C-13-H3C(O)CH3
  276785.4769  0.0293 -5.1615 3  964.6471984  595161404612834 2    612735 2      C-13-H3C(O)CH3
  276785.4790  0.0059 -6.3138 3  102.8568328  595161404201010 1    20 713 1      C-13-H3C(O)CH3
  276797.6092  0.0262 -5.5679 3  386.9856600  595161404372512 1    372215 1      C-13-H3C(O)CH3
  276798.6719  0.0091 -6.1255 3  248.2429584  59516140436 432 0    36 433 0      C-13-H3C(O)CH3
  276798.6719  0.0091 -6.1255 3  248.2429584  59516140436 532 0    36 333 0      C-13-H3C(O)CH3
  276798.6719  0.0091 -4.4633 3  248.2429584  59516140436 432 0    36 333 0      C-13-H3C(O)CH3
  276798.6719  0.0091 -4.4633 3  248.2429584  59516140436 532 0    36 433 0      C-13-H3C(O)CH3
  276807.5895  0.0627 -5.6501 3 1149.7719A00  595161404624913 2    624814 2      C-13-H3C(O)CH3
  276807.6036  0.0297 -5.4624 3  964.6570492  595161404612734 3    612635 3      C-13-H3C(O)CH3
  276807.6040  0.0297 -5.4624 3  964.6570492  595161404612834 3    612735 3      C-13-H3C(O)CH3
  276807.6998  0.0298 -5.4624 3  964.6571492  595161404612734 4    612635 4      C-13-H3C(O)CH3
  276807.7002  0.0298 -5.4624 3  964.6571492  595161404612834 4    612735 4      C-13-H3C(O)CH3
  276807.9523  0.0136 -4.6725 3  226.4872568  59516140435 432 2    35 233 2      C-13-H3C(O)CH3
  276807.9523  0.0136 -4.6742 3  226.4872568  59516140435 432 2    35 333 2      C-13-H3C(O)CH3
  276807.9523  0.0136 -5.0810 3  226.4872568  59516140435 332 2    35 233 2      C-13-H3C(O)CH3
  276807.9523  0.0136 -5.0767 3  226.4872568  59516140435 332 2    35 333 2      C-13-H3C(O)CH3
  276809.0375  0.0145 -4.6195 3  226.4877568  59516140435 432 1    35 233 1      C-13-H3C(O)CH3
  276809.0375  0.0145 -4.6195 3  226.4877568  59516140435 332 1    35 333 1      C-13-H3C(O)CH3
  276809.0375  0.0145 -5.2573 3  226.4877568  59516140435 332 1    35 233 1      C-13-H3C(O)CH3
  276809.0375  0.0145 -5.2573 3  226.4877568  59516140435 432 1    35 333 1      C-13-H3C(O)CH3
  276822.4797  0.0074 -4.2118 3   59.7554248  5951614041511 4 1    1410 5 1      C-13-H3C(O)CH3
  276824.2936  0.0017 -3.9736 3  116.6392188 -59516140423 717 3    22 616 3      C-13-H3C(O)CH3
  276824.2936  0.0017 -3.9736 3  116.6393188 -59516140423 717 4    22 616 4      C-13-H3C(O)CH3
  276824.2936  0.0017 -3.9736 3  116.6392188 -59516140423 617 3    22 716 3      C-13-H3C(O)CH3
  276824.2936  0.0017 -3.9736 3  116.6393188 -59516140423 617 4    22 716 4      C-13-H3C(O)CH3
  276829.0594  0.0732 -6.1633 3  711.5161372  5951614044646 1 3    4645 2 3      C-13-H3C(O)CH3
  276830.8477  0.0628 -5.8623 3  711.5101744  5951614044646 0 2    4645 1 2      C-13-H3C(O)CH3
  276835.3039  0.0570 -5.6500 3 1149.7634A00  595161404624913 1    624814 1      C-13-H3C(O)CH3
  276843.7900  0.0066 -5.9070 3   35.8359200  59516140412 9 3 2    11 6 5 2      C-13-H3C(O)CH3
  276851.9500  0.0549 -5.6500 3 1149.7314A00  595161404624914 1    624815 1      C-13-H3C(O)CH3
  276867.1493  0.0229 -5.5624 3  387.0042600  595161404372512 0    372215 0      C-13-H3C(O)CH3
  276870.9694  0.0755 -6.1629 3  711.4634372  5951614044646 1 4    4645 2 4      C-13-H3C(O)CH3
  276871.2551  0.0125 -6.2441 3  180.4594408  5951614042519 7 1    251610 1      C-13-H3C(O)CH3
  276890.9516  0.0019 -3.6724 3  116.6173376 -59516140423 617 1    22 716 1      C-13-H3C(O)CH3
  276890.9516  0.0019 -3.6724 3  116.6173376 -59516140423 717 1    22 616 1      C-13-H3C(O)CH3
  276892.2648  0.0019 -3.6725 3  116.6163376 -59516140423 717 2    22 616 2      C-13-H3C(O)CH3
  276892.2648  0.0019 -3.6725 3  116.6163376 -59516140423 617 2    22 716 2      C-13-H3C(O)CH3
  276893.5946  0.0183 -5.2268 3  184.7842268  59516140433 232 3    33 033 3      C-13-H3C(O)CH3
  276893.5946  0.0183 -6.6671 3  184.7842268  59516140433 132 3    33 033 3      C-13-H3C(O)CH3
  276893.5946  0.0183 -5.2268 3  184.7842268  59516140433 132 3    33 133 3      C-13-H3C(O)CH3
  276893.5946  0.0183 -6.6671 3  184.7842268  59516140433 232 3    33 133 3      C-13-H3C(O)CH3
  276894.2917  0.0192 -5.3335 3  184.7842268  59516140433 132 4    33 133 4      C-13-H3C(O)CH3
  276894.2917  0.0192 -5.8217 3  184.7842268  59516140433 132 4    33 033 4      C-13-H3C(O)CH3
  276894.2917  0.0192 -5.8217 3  184.7842268  59516140433 232 4    33 133 4      C-13-H3C(O)CH3
  276894.2917  0.0192 -5.3335 3  184.7842268  59516140433 232 4    33 033 4      C-13-H3C(O)CH3
  276926.7700  0.0058 -6.3099 3  102.8330328  595161404201010 0    20 713 0      C-13-H3C(O)CH3
  276926.8680  0.0052 -4.9923 3   40.1302108  59516140413 7 6 3    12 6 7 3      C-13-H3C(O)CH3
  276958.7966  0.0017 -3.6723 3  116.5944376 -59516140423 717 0    22 616 0      C-13-H3C(O)CH3
  276958.7966  0.0017 -3.6723 3  116.5944376 -59516140423 617 0    22 716 0      C-13-H3C(O)CH3
  276964.2395  0.0070 -4.9924 3   40.1301108  59516140413 7 6 4    12 6 7 4      C-13-H3C(O)CH3
  276971.9284  0.0495 -5.6497 3 1149.7264A00  595161404624913 0    624814 0      C-13-H3C(O)CH3
  276971.9284  0.0495 -5.6497 3 1149.7264A00  595161404624914 0    624815 0      C-13-H3C(O)CH3
  276982.7783  0.0058 -4.6899 3   40.0786216  59516140413 7 6 2    12 6 7 2      C-13-H3C(O)CH3
  276989.5532  0.0383 -6.7372 3  428.8060316  595161404392614 4    392316 4      C-13-H3C(O)CH3
  276990.3885  0.0215 -6.7871 3  701.1560840  595161404522329 1    512626 1      C-13-H3C(O)CH3
  276993.7682  0.0215 -6.7870 3  701.1559840  595161404522429 1    512526 1      C-13-H3C(O)CH3
  277003.9955  0.0249 -6.7858 3  701.1550840  595161404522329 2    512626 2      C-13-H3C(O)CH3
  277006.0687  0.0176 -6.7874 3  701.1631840  595161404522329 0    512626 0      C-13-H3C(O)CH3
  277007.4030  0.0250 -6.7858 3  701.1549840  595161404522429 2    512526 2      C-13-H3C(O)CH3
  277009.1941  0.0176 -6.7874 3  701.1630840  595161404522429 0    512526 0      C-13-H3C(O)CH3
  277011.3695  0.0093 -5.1188 3  189.7478424  5951614042618 8 2    2519 6 2      C-13-H3C(O)CH3
  277023.6123  0.3615 -6.9190 3 1735.6559628  595161404785425 4    785326 4      C-13-H3C(O)CH3
  277053.2693  0.0368 -6.6727 3  428.8268632  595161404392614 2    392316 2      C-13-H3C(O)CH3
  277079.7754  0.0084 -5.9152 3  168.1060408  595161404251411 2    251114 2      C-13-H3C(O)CH3
  277081.6785  0.0056 -4.6902 3   40.0799216  59516140413 7 6 1    12 6 7 1      C-13-H3C(O)CH3
  277082.4054  0.0173 -6.5335 3  180.4520204  5951614042519 7 3    251610 3      C-13-H3C(O)CH3
  277092.6107  0.0771 -6.1631 3  711.5750372  5951614044646 0 4    4645 1 4      C-13-H3C(O)CH3
  277109.6637  0.0187 -4.7301 3  205.3037552  59516140434 332 2    34 233 2      C-13-H3C(O)CH3
  277109.6637  0.0187 -5.4592 3  205.3037552  59516140434 332 2    34 133 2      C-13-H3C(O)CH3
  277109.6637  0.0187 -4.7301 3  205.3037552  59516140434 232 2    34 133 2      C-13-H3C(O)CH3
  277109.6637  0.0187 -5.4592 3  205.3037552  59516140434 232 2    34 233 2      C-13-H3C(O)CH3
  277110.1403  0.0072 -5.9519 3   35.8939100  59516140412 9 3 4    11 6 5 4      C-13-H3C(O)CH3
  277110.3371  0.0197 -4.6732 3  205.3041552  59516140434 232 1    34 233 1      C-13-H3C(O)CH3
  277110.3371  0.0197 -6.0646 3  205.3041552  59516140434 332 1    34 233 1      C-13-H3C(O)CH3
  277110.3371  0.0197 -4.6732 3  205.3041552  59516140434 332 1    34 133 1      C-13-H3C(O)CH3
  277110.3371  0.0197 -6.0646 3  205.3041552  59516140434 232 1    34 133 1      C-13-H3C(O)CH3
  277113.1327  0.3257 -6.9189 3 1735.6867628  595161404785425 3    785326 3      C-13-H3C(O)CH3
  277113.4481  0.0125 -5.3298 3  189.7420212  5951614042618 8 4    2519 6 4      C-13-H3C(O)CH3
  277113.5830  0.1314 -6.3158 3 1388.2567556  595161404695119 4    695020 4      C-13-H3C(O)CH3
  277119.6356  0.0054 -4.6887 3   40.0285216  59516140413 7 6 0    12 6 7 0      C-13-H3C(O)CH3
  277133.7018  0.0796 -6.1627 3  711.5222372  5951614044646 0 3    4645 1 3      C-13-H3C(O)CH3
  277160.2471  0.4282 -6.6177 3 1735.6699C56  595161404785425 1    785326 1      C-13-H3C(O)CH3
  277161.8276  0.0076 -5.9133 3  168.1091408  595161404251411 0    251114 0      C-13-H3C(O)CH3
  277178.3691  0.0128 -6.0214 3  226.4516568  59516140435 332 0    35 233 0      C-13-H3C(O)CH3
  277178.3691  0.0128 -4.5421 3  226.4516568  59516140435 332 0    35 333 0      C-13-H3C(O)CH3
  277178.3691  0.0128 -6.0214 3  226.4516568  59516140435 432 0    35 333 0      C-13-H3C(O)CH3
  277178.3691  0.0128 -4.5421 3  226.4516568  59516140435 432 0    35 233 0      C-13-H3C(O)CH3
  277182.7478  0.1413 -6.3157 3 1388.3046556  595161404695118 3    695019 3      C-13-H3C(O)CH3
  277193.7354  0.0105 -5.3309 3  189.6566212  5951614042618 9 4    2519 7 4      C-13-H3C(O)CH3
  277214.1516  0.0088 -5.0701 3  189.7422424  5951614042618 8 1    2519 6 1      C-13-H3C(O)CH3
  277215.4888  0.3351 -6.9187 3 1735.6968628  595161404785424 3    785325 3      C-13-H3C(O)CH3
  277233.5215  0.0101 -6.2188 3  168.1058204  595161404251411 3    251114 3      C-13-H3C(O)CH3
  277239.5507  0.1290 -6.3156 3 1388.3000556  595161404695119 3    695020 3      C-13-H3C(O)CH3
  277251.2104  0.0119 -6.2187 3  168.1059204  595161404251411 4    251114 4      C-13-H3C(O)CH3
  277304.8664  0.3248 -6.9186 3 1735.7277628  595161404785424 4    785325 4      C-13-H3C(O)CH3
  277308.3386  0.1396 -6.3155 3 1388.3479556  595161404695118 4    695019 4      C-13-H3C(O)CH3
  277320.9206  0.0081 -4.9896 3  189.7475424  5951614042618 8 0    2519 7 0      C-13-H3C(O)CH3
  277321.5444  0.0085 -5.9160 3  168.1090408  595161404251411 1    251114 1      C-13-H3C(O)CH3
  277350.3201  0.1247 -6.0142 3 1388.2563B12  595161404695119 1    695020 1      C-13-H3C(O)CH3
  277351.6762  0.4411 -6.6174 3 1735.7109C56  595161404785424 1    785325 1      C-13-H3C(O)CH3
  277358.6618  0.4118 -6.6173 3 1735.6596C56  595161404785425 2    785326 2      C-13-H3C(O)CH3
  277371.9883  0.0171 -6.6446 3  180.4520204  5951614042519 6 3    251610 3      C-13-H3C(O)CH3
  277374.0077  0.0599 -6.9856 3  442.5832648  595161404402416 2    392712 2      C-13-H3C(O)CH3
  277376.5383  0.0132 -6.2559 3  180.4577408  5951614042519 7 2    251610 2      C-13-H3C(O)CH3
  277376.6004  0.1328 -6.0142 3 1388.2604B12  595161404695119 2    695020 2      C-13-H3C(O)CH3
  277378.2489  0.0310 -5.4022 3  859.7444840  5951614045247 6 2    5246 7 2      C-13-H3C(O)CH3
  277391.5034  0.0252 -5.3876 3  184.7153536  59516140433 232 2    33 033 2      C-13-H3C(O)CH3
  277391.5034  0.0252 -5.0830 3  184.7153536  59516140433 232 2    33 133 2      C-13-H3C(O)CH3
  277391.5034  0.0252 -5.3876 3  184.7153536  59516140433 132 2    33 133 2      C-13-H3C(O)CH3
  277391.5034  0.0252 -5.0830 3  184.7153536  59516140433 132 2    33 033 2      C-13-H3C(O)CH3
  277391.7336  0.0261 -5.3275 3  184.7157536  59516140433 132 1    33 133 1      C-13-H3C(O)CH3
  277391.7336  0.0261 -5.1165 3  184.7157536  59516140433 132 1    33 033 1      C-13-H3C(O)CH3
  277391.7336  0.0261 -5.3275 3  184.7157536  59516140433 232 1    33 033 1      C-13-H3C(O)CH3
  277391.7336  0.0261 -5.1165 3  184.7157536  59516140433 232 1    33 133 1      C-13-H3C(O)CH3
  277416.7625  0.0069 -4.6449 3  636.3509824  595161404511933 0    511834 0      C-13-H3C(O)CH3
  277416.7625  0.0069 -6.8084 3  636.3509824  595161404511833 0    511834 0      C-13-H3C(O)CH3
  277416.7625  0.0069 -4.6473 3  636.3509824  595161404511833 0    511734 0      C-13-H3C(O)CH3
  277419.1805  0.1436 -6.0142 3 1388.3041B12  595161404695118 1    695019 1      C-13-H3C(O)CH3
  277447.9240  0.4037 -6.6172 3 1735.6905C56  595161404785424 2    785325 2      C-13-H3C(O)CH3
  277461.0974  0.0280 -5.4022 3  859.7341840  5951614045247 6 0    5246 7 0      C-13-H3C(O)CH3
  277461.0974  0.0280 -5.4022 3  859.7341840  5951614045247 5 0    5246 6 0      C-13-H3C(O)CH3
  277472.7814  0.0377 -5.8885 3  386.9495300  595161404372512 3    372215 3      C-13-H3C(O)CH3
  277476.8151  0.0087 -4.6455 3  636.3305824  595161404511833 2    511834 2      C-13-H3C(O)CH3
  277476.8151  0.0087 -4.6455 3  636.3305824  595161404511933 2    511734 2      C-13-H3C(O)CH3
  277477.2054  0.0079 -5.5031 3  636.3311824  595161404511833 1    511734 1      C-13-H3C(O)CH3
  277477.2054  0.0079 -5.5031 3  636.3311824  595161404511933 1    511834 1      C-13-H3C(O)CH3
  277477.2054  0.0079 -4.7087 3  636.3311824  595161404511933 1    511734 1      C-13-H3C(O)CH3
  277477.2054  0.0079 -4.7087 3  636.3311824  595161404511833 1    511834 1      C-13-H3C(O)CH3
  277483.3367  0.0246 -6.9655 3  168.4333196  5951614042419 6 4    2416 8 4      C-13-H3C(O)CH3
  277486.2803  0.0426 -5.7030 3  859.7622420  5951614045247 6 4    5246 7 4      C-13-H3C(O)CH3
  277493.8245  0.4852 -6.6170 3 1735.6737C56  595161404785424 0    785325 0      C-13-H3C(O)CH3
  277496.9745  0.4851 -6.6170 3 1735.6736C56  595161404785425 0    785326 0      C-13-H3C(O)CH3
  277502.2007  0.1378 -6.0140 3 1388.3037B12  595161404695118 2    695019 2      C-13-H3C(O)CH3
  277507.6544  0.2123 -6.6836 3 1640.8416628  595161404784137 4    784038 4      C-13-H3C(O)CH3
  277507.7215  0.2123 -6.6836 3 1640.8416628  595161404784137 3    784038 3      C-13-H3C(O)CH3
  277517.8541  0.2111 -6.6836 3 1640.8417628  595161404784237 4    784138 4      C-13-H3C(O)CH3
  277517.9262  0.2111 -6.6836 3 1640.8417628  595161404784237 3    784138 3      C-13-H3C(O)CH3
  277520.1318  0.0384 -5.7031 3  859.7805420  5951614045247 5 3    5246 6 3      C-13-H3C(O)CH3
  277535.0456  0.2134 -6.3825 3 1640.8335C56  595161404784137 1    784038 1      C-13-H3C(O)CH3
  277537.3464  0.0088 -6.5975 3  636.3106412  595161404511833 3    511734 3      C-13-H3C(O)CH3
  277537.3464  0.0088 -4.9546 3  636.3106412  595161404511833 3    511834 3      C-13-H3C(O)CH3
  277537.3464  0.0088 -4.9546 3  636.3106412  595161404511933 3    511734 3      C-13-H3C(O)CH3
  277537.3464  0.0088 -6.5975 3  636.3106412  595161404511933 3    511834 3      C-13-H3C(O)CH3
  277537.4264  0.0088 -5.3016 3  636.3106412  595161404511833 4    511734 4      C-13-H3C(O)CH3
  277537.4264  0.0088 -5.0477 3  636.3106412  595161404511933 4    511834 4      C-13-H3C(O)CH3
  277537.4264  0.0088 -5.1965 3  636.3106412  595161404511933 4    511734 4      C-13-H3C(O)CH3
  277537.4264  0.0088 -5.6208 3  636.3106412  595161404511833 4    511834 4      C-13-H3C(O)CH3
  277541.2314  0.0179 -6.0650 3  205.2527552  59516140434 332 0    34 133 0      C-13-H3C(O)CH3
  277541.2314  0.0179 -4.6713 3  205.2527552  59516140434 232 0    34 133 0      C-13-H3C(O)CH3
  277541.2314  0.0179 -4.6713 3  205.2527552  59516140434 332 0    34 233 0      C-13-H3C(O)CH3
  277541.2314  0.0179 -6.0650 3  205.2527552  59516140434 232 0    34 233 0      C-13-H3C(O)CH3
  277545.0511  0.2154 -6.3825 3 1640.8371C56  595161404784137 2    784038 2      C-13-H3C(O)CH3
  277545.3217  0.2138 -6.3824 3 1640.8336C56  595161404784237 1    784138 1      C-13-H3C(O)CH3
  277554.3079  0.2143 -6.3825 3 1640.8371C56  595161404784237 2    784138 2      C-13-H3C(O)CH3
  277558.1324  0.0298 -5.4020 3  859.7513840  5951614045247 5 2    5246 6 2      C-13-H3C(O)CH3
  277570.0246  0.0306 -5.4019 3  859.7519840  5951614045247 6 1    5246 7 1      C-13-H3C(O)CH3
  277572.3127  0.2145 -6.3823 3 1640.8290C56  595161404784137 0    784038 0      C-13-H3C(O)CH3
  277581.6337  0.2150 -6.3823 3 1640.8290C56  595161404784237 0    784138 0      C-13-H3C(O)CH3
  277586.6717  0.0037 -5.2610 3   30.8566100  59516140412 5 7 3    11 4 8 3      C-13-H3C(O)CH3
  277590.2252  0.0050 -5.2610 3   30.8566100  59516140412 5 7 4    11 4 8 4      C-13-H3C(O)CH3
  277603.4274  0.0283 -5.4020 3  859.7702840  5951614045247 5 1    5246 6 1      C-13-H3C(O)CH3
  277612.9945  0.1491 -6.0136 3 1388.2600B12  595161404695118 0    695019 0      C-13-H3C(O)CH3
  277613.0029  0.1491 -6.0136 3 1388.2600B12  595161404695119 0    695020 0      C-13-H3C(O)CH3
  277622.3011  0.0438 -5.9305 3  386.9496300  595161404372512 4    372215 4      C-13-H3C(O)CH3
  277636.3932  0.0369 -5.6095 3  386.9681600  595161404372512 2    372215 2      C-13-H3C(O)CH3
  277664.8291  0.1235 -6.2833 3 1426.2809588  595161404733736 4    733637 4      C-13-H3C(O)CH3
  277664.8736  0.1235 -6.2833 3 1426.2809588  595161404733736 3    733637 3      C-13-H3C(O)CH3
  277665.7458  0.1235 -6.2833 3 1426.2809588  595161404733836 4    733737 4      C-13-H3C(O)CH3
  277665.7920  0.1234 -6.2833 3 1426.2809588  595161404733836 3    733737 3      C-13-H3C(O)CH3
  277666.6716  0.0399 -5.7028 3  859.7690420  5951614045247 6 3    5246 7 3      C-13-H3C(O)CH3
  277694.0282  0.1243 -5.9821 3 1426.2650B76  595161404733736 1    733637 1      C-13-H3C(O)CH3
  277694.1112  0.2545 -6.7032 3 1615.2317604  595161404755323 4    755224 4      C-13-H3C(O)CH3
  277694.8579  0.1820 -6.5020 3 1499.4364580  595161404725221 4    725122 4      C-13-H3C(O)CH3
  277694.9296  0.1243 -5.9821 3 1426.2650B76  595161404733836 1    733737 1      C-13-H3C(O)CH3
  277700.8532  0.1251 -5.9821 3 1426.2682B76  595161404733736 2    733637 2      C-13-H3C(O)CH3
  277701.1967  0.0398 -5.7029 3  859.7873420  5951614045247 5 4    5246 6 4      C-13-H3C(O)CH3
  277701.6544  0.1250 -5.9821 3 1426.2682B76  595161404733836 2    733737 2      C-13-H3C(O)CH3
  277729.9759  0.1249 -5.9820 3 1426.2523B76  595161404733736 0    733637 0      C-13-H3C(O)CH3
  277730.7619  0.1250 -5.9820 3 1426.2523B76  595161404733836 0    733737 0      C-13-H3C(O)CH3
  277739.2917  0.0125 -5.5018 3  189.7041212  5951614042618 8 3    2519 6 3      C-13-H3C(O)CH3
  277802.9523  0.1923 -6.5019 3 1499.4853580  595161404725220 3    725121 3      C-13-H3C(O)CH3
  277807.3566  0.0046 -4.9587 3   30.7973200  59516140412 5 7 2    11 4 8 2      C-13-H3C(O)CH3
  277812.0161  0.2246 -6.7030 3 1615.2679604  595161404755323 3    755224 3      C-13-H3C(O)CH3
  277824.9506  0.1670 -6.5018 3 1499.4770580  595161404725221 3    725122 3      C-13-H3C(O)CH3
  277829.1810  0.0526 -5.7751 3  998.5164460  5951614045748 9 4    574710 4      C-13-H3C(O)CH3
  277830.9755  0.0044 -4.9589 3   30.7980200  59516140412 5 7 1    11 4 8 1      C-13-H3C(O)CH3
  277839.8406  0.0018 -3.9212 3  120.9547196 -59516140424 519 4    23 618 4      C-13-H3C(O)CH3
  277839.8406  0.0018 -3.9212 3  120.9546196 -59516140424 619 3    23 518 3      C-13-H3C(O)CH3
  277839.8406  0.0018 -3.9212 3  120.9546196 -59516140424 519 3    23 618 3      C-13-H3C(O)CH3
  277839.8406  0.0018 -3.9212 3  120.9547196 -59516140424 619 4    23 518 4      C-13-H3C(O)CH3
  277843.8934  0.2549 -6.7030 3 1615.2783604  595161404755322 3    755223 3      C-13-H3C(O)CH3
  277862.3781  0.0395 -5.4740 3  998.4895920  5951614045748 9 2    574710 2      C-13-H3C(O)CH3
  277874.8669  0.2868 -6.4018 3 1615.2404C08  595161404755323 1    755224 1      C-13-H3C(O)CH3
  277878.4486  0.0458 -5.7751 3  998.5068460  5951614045748 9 3    574710 3      C-13-H3C(O)CH3
  277888.3975  0.0245 -6.0716 3  184.6470536  59516140433 232 0    33 133 0      C-13-H3C(O)CH3
  277888.3975  0.0245 -4.9368 3  184.6470536  59516140433 232 0    33 033 0      C-13-H3C(O)CH3
  277888.3975  0.0245 -4.9368 3  184.6470536  59516140433 132 0    33 133 0      C-13-H3C(O)CH3
  277888.3975  0.0245 -6.0716 3  184.6470536  59516140433 132 0    33 033 0      C-13-H3C(O)CH3
  277898.6969  0.0020 -3.6200 3  120.9293392 -59516140424 619 1    23 518 1      C-13-H3C(O)CH3
  277898.6969  0.0020 -3.6200 3  120.9293392 -59516140424 519 1    23 618 1      C-13-H3C(O)CH3
  277899.4475  0.0020 -3.6201 3  120.9285392 -59516140424 619 2    23 518 2      C-13-H3C(O)CH3
  277899.4475  0.0020 -3.6201 3  120.9285392 -59516140424 519 2    23 618 2      C-13-H3C(O)CH3
  277903.2829  0.0469 -5.7750 3  998.4930460  595161404574810 3    574711 3      C-13-H3C(O)CH3
  277910.5794  0.1889 -6.2005 3 1499.4402B60  595161404725221 1    725122 1      C-13-H3C(O)CH3
  277932.7445  0.1820 -6.5017 3 1499.5260580  595161404725220 4    725121 4      C-13-H3C(O)CH3
  277936.5177  0.0370 -5.4739 3  998.4662920  595161404574810 2    574711 2      C-13-H3C(O)CH3
  277952.8201  0.0472 -5.7750 3  998.4834460  595161404574810 4    574711 4      C-13-H3C(O)CH3
  277958.1977  0.0018 -3.6199 3  120.9032392 -59516140424 519 0    23 618 0      C-13-H3C(O)CH3
  277958.1977  0.0018 -3.6199 3  120.9032392 -59516140424 619 0    23 518 0      C-13-H3C(O)CH3
  277961.5920  0.2399 -6.7029 3 1615.3146604  595161404755322 4    755223 4      C-13-H3C(O)CH3
  277970.2232  0.0579 -6.9437 3  603.9503760  595161404472721 2    463016 2      C-13-H3C(O)CH3
  277989.3697  0.0124 -4.8229 3   59.7694124  5951614041511 4 4    1410 5 4      C-13-H3C(O)CH3
  277989.9105  0.0389 -5.4737 3  998.4845920  5951614045748 9 1    574710 1      C-13-H3C(O)CH3
  277995.8301  0.1961 -6.2003 3 1499.4418B60  595161404725221 2    725122 2      C-13-H3C(O)CH3
  278016.8958  0.0048 -5.2604 3   30.8565100  59516140412 6 7 4    11 3 8 4      C-13-H3C(O)CH3
  278018.3308  0.2177 -6.2004 3 1499.4892B60  595161404725220 1    725121 1      C-13-H3C(O)CH3
  278018.4217  0.0037 -5.2604 3   30.8565100  59516140412 6 7 3    11 3 8 3      C-13-H3C(O)CH3
  278019.7581  0.2867 -6.4015 3 1615.2371C08  595161404755323 2    755224 2      C-13-H3C(O)CH3
  278022.2280  0.0315 -5.4737 3  998.4577920  595161404574810 0    574711 0      C-13-H3C(O)CH3
  278022.2280  0.0315 -5.4737 3  998.4577920  5951614045748 9 0    574710 0      C-13-H3C(O)CH3
  278024.2554  0.3169 -6.4016 3 1615.2870C08  595161404755322 1    755223 1      C-13-H3C(O)CH3
  278028.8746  0.0190 -5.6983 3  189.6944212  5951614042618 8 3    2519 7 3      C-13-H3C(O)CH3
  278035.2462  0.0595 -7.0212 3  442.5401324  595161404402416 3    392713 3      C-13-H3C(O)CH3
  278038.9482  0.0359 -5.4737 3  998.4749920  595161404574810 1    574711 1      C-13-H3C(O)CH3
  278045.2493  0.0076 -6.6147 3  102.8792164  595161404201110 4    20 813 4      C-13-H3C(O)CH3
  278047.6409  0.0055 -6.6146 3  102.8792164  595161404201110 3    20 813 3      C-13-H3C(O)CH3
  278049.5553  0.0046 -4.9576 3   30.7389200  59516140412 5 7 0    11 4 8 0      C-13-H3C(O)CH3
  278053.4990  0.0186 -5.0978 3  928.2811968  595161404602634 0    602535 0      C-13-H3C(O)CH3
  278053.4991  0.0186 -5.0978 3  928.2811968  595161404602734 0    602635 0      C-13-H3C(O)CH3
  278068.4137  0.0102 -6.3331 3  403.1815316  595161404391920 3    382217 3      C-13-H3C(O)CH3
  278069.8498  0.0104 -6.3331 3  403.1814316  595161404391920 4    382217 4      C-13-H3C(O)CH3
  278083.2977  0.0205 -5.0977 3  928.2888968  595161404602634 1    602535 1      C-13-H3C(O)CH3
  278083.2978  0.0205 -5.0977 3  928.2888968  595161404602734 1    602635 1      C-13-H3C(O)CH3
  278086.7337  0.0256 -5.0977 3  928.2894968  595161404602634 2    602535 2      C-13-H3C(O)CH3
  278086.7338  0.0256 -5.0977 3  928.2894968  595161404602734 2    602635 2      C-13-H3C(O)CH3
  278087.5757  0.0102 -6.0329 3  403.2092632  595161404391920 1    382217 1      C-13-H3C(O)CH3
  278111.7192  0.0112 -5.2248 3  226.7978456  5951614042821 8 0    2722 5 0      C-13-H3C(O)CH3
  278116.5993  0.0258 -5.3986 3  928.2970484  595161404602634 3    602535 3      C-13-H3C(O)CH3
  278116.5994  0.0258 -5.3986 3  928.2970484  595161404602734 3    602635 3      C-13-H3C(O)CH3
  278116.7080  0.0259 -5.3985 3  928.2970484  595161404602634 4    602535 4      C-13-H3C(O)CH3
  278116.7081  0.0259 -5.3985 3  928.2970484  595161404602734 4    602635 4      C-13-H3C(O)CH3
  278122.6752  0.0027 -6.5023 3   66.1994132  5951614041610 6 4    15 9 6 4      C-13-H3C(O)CH3
  278125.6174  0.1988 -6.2001 3 1499.4825B60  595161404725220 2    725121 2      C-13-H3C(O)CH3
  278134.6567  0.0112 -5.2247 3  226.7978456  5951614042821 7 0    2722 6 0      C-13-H3C(O)CH3
  278137.4014  0.2850 -6.4013 3 1615.2734C08  595161404755322 2    755223 2      C-13-H3C(O)CH3
  278144.6090  0.0161 -5.5768 3  189.7100424  5951614042618 8 2    2519 7 2      C-13-H3C(O)CH3
  278148.2041  0.0105 -6.0304 3  403.2035632  595161404391920 2    382217 2      C-13-H3C(O)CH3
  278154.7818  0.0258 -5.5284 3  428.8647632  595161404392613 0    392316 0      C-13-H3C(O)CH3
  278166.4580  0.0091 -6.0312 3  403.2313632  595161404391920 0    382217 0      C-13-H3C(O)CH3
  278193.2362  0.0620 -5.8444 3 1185.3235540  595161404673235 3    673136 3      C-13-H3C(O)CH3
  278193.2554  0.0620 -5.8444 3 1185.3236540  595161404673235 4    673136 4      C-13-H3C(O)CH3
  278193.2602  0.0620 -5.8444 3 1185.3235540  595161404673335 3    673236 3      C-13-H3C(O)CH3
  278193.2793  0.0620 -5.8444 3 1185.3236540  595161404673335 4    673236 4      C-13-H3C(O)CH3
  278199.9987  0.0064 -4.6018 3  605.7561808  595161404501833 0    501734 0      C-13-H3C(O)CH3
  278199.9987  0.0064 -4.6018 3  605.7561808  595161404501733 0    501634 0      C-13-H3C(O)CH3
  278200.2258  0.3418 -6.4011 3 1615.2459C08  595161404755322 0    755223 0      C-13-H3C(O)CH3
  278200.7214  0.3418 -6.4011 3 1615.2458C08  595161404755323 0    755224 0      C-13-H3C(O)CH3
  278202.7738  0.0572 -5.5433 3 1185.3048A80  595161404673235 1    673136 1      C-13-H3C(O)CH3
  278202.7963  0.0572 -5.5433 3 1185.3048A80  595161404673335 1    673236 1      C-13-H3C(O)CH3
  278208.1559  0.0612 -5.5433 3 1185.3068A80  595161404673235 2    673136 2      C-13-H3C(O)CH3
  278208.1756  0.0612 -5.5433 3 1185.3068A80  595161404673335 2    673236 2      C-13-H3C(O)CH3
  278211.3357  0.2303 -6.1998 3 1499.4457B60  595161404725220 0    725121 0      C-13-H3C(O)CH3
  278211.4046  0.2303 -6.1998 3 1499.4457B60  595161404725221 0    725122 0      C-13-H3C(O)CH3
  278217.7132  0.0566 -5.5433 3 1185.2881A80  595161404673235 0    673136 0      C-13-H3C(O)CH3
  278217.7316  0.0566 -5.5433 3 1185.2881A80  595161404673335 0    673236 0      C-13-H3C(O)CH3
  278236.2040  0.0055 -6.3098 3  102.8553328  595161404201110 2    20 813 2      C-13-H3C(O)CH3
  278243.7663  0.0099 -5.2236 3  226.7822456  5951614042821 7 2    2722 5 2      C-13-H3C(O)CH3
  278252.1412  0.0045 -4.9580 3   30.7971200  59516140412 6 7 2    11 3 8 2      C-13-H3C(O)CH3
  278252.9525  0.0100 -5.9836 3  180.4660408  5951614042519 7 0    251610 0      C-13-H3C(O)CH3
  278255.9736  0.0079 -4.6474 3  605.7327808  595161404501833 2    501734 2      C-13-H3C(O)CH3
  278255.9736  0.0079 -5.5972 3  605.7327808  595161404501833 2    501634 2      C-13-H3C(O)CH3
  278255.9736  0.0079 -4.6293 3  605.7327808  595161404501733 2    501734 2      C-13-H3C(O)CH3
  278255.9736  0.0079 -5.8048 3  605.7327808  595161404501733 2    501634 2      C-13-H3C(O)CH3
  278256.7578  0.0074 -4.6526 3  605.7334808  595161404501833 1    501734 1      C-13-H3C(O)CH3
  278256.7578  0.0074 -5.5533 3  605.7334808  595161404501733 1    501734 1      C-13-H3C(O)CH3
  278256.7578  0.0074 -4.6526 3  605.7334808  595161404501733 1    501634 1      C-13-H3C(O)CH3
  278256.7578  0.0074 -5.5533 3  605.7334808  595161404501833 1    501634 1      C-13-H3C(O)CH3
  278261.3306  0.0029 -6.7191 3   66.1609264  5951614041610 6 1    15 9 6 1      C-13-H3C(O)CH3
  278261.9826  0.0034 -6.8782 3   66.1543264  5951614041610 6 2    15 9 6 2      C-13-H3C(O)CH3
  278267.4821  0.0043 -4.9582 3   30.7979200  59516140412 6 7 1    11 3 8 1      C-13-H3C(O)CH3
  278268.0795  0.0450 -6.8434 3  472.8073664  595161404412715 2    412417 2      C-13-H3C(O)CH3
  278287.5588  0.0291 -5.5366 3  428.8437632  595161404392613 1    392316 1      C-13-H3C(O)CH3
  278290.1532  0.0055 -6.3107 3  102.8568328  595161404201110 1    20 813 1      C-13-H3C(O)CH3
  278291.9725  0.0137 -6.3265 3  180.4594408  5951614042519 6 1    251610 1      C-13-H3C(O)CH3
  278299.0145  0.0353 -6.9295 3  603.9429760  595161404472721 1    463016 1      C-13-H3C(O)CH3
  278312.8165  0.0081 -4.9044 3  605.7099404  595161404501833 3    501634 3      C-13-H3C(O)CH3
  278312.8165  0.0081 -4.9044 3  605.7099404  595161404501733 3    501734 3      C-13-H3C(O)CH3
  278312.8692  0.0082 -5.2986 3  605.7099404  595161404501733 4    501634 4      C-13-H3C(O)CH3
  278312.8692  0.0082 -5.1247 3  605.7099404  595161404501733 4    501734 4      C-13-H3C(O)CH3
  278312.8692  0.0082 -5.2986 3  605.7099404  595161404501833 4    501734 4      C-13-H3C(O)CH3
  278312.8692  0.0082 -5.1247 3  605.7099404  595161404501833 4    501634 4      C-13-H3C(O)CH3
  278335.8819  0.0135 -5.9339 3   61.7612248  5951614041512 4 1    1411 3 1      C-13-H3C(O)CH3
  278339.2922  0.0441 -6.8401 3  472.7850332  595161404412715 4    412417 4      C-13-H3C(O)CH3
  278350.0230  0.0506 -6.7898 3  442.5506648  595161404402416 2    392713 2      C-13-H3C(O)CH3
  278362.0683  0.7478 -7.0090 3 1949.7158D36  595161404835628 1    835529 1      C-13-H3C(O)CH3
  278401.1742  0.0384 -6.9492 3  373.5806552  5951614043432 2 1    3333 0 1      C-13-H3C(O)CH3
  278452.6512  0.0105 -5.2242 3  226.7363456  5951614042821 8 1    2722 6 1      C-13-H3C(O)CH3
  278457.2360  0.0105 -5.2233 3  226.7684456  5951614042821 7 1    2722 5 1      C-13-H3C(O)CH3
  278469.7901  0.0849 -6.0981 3 1250.2083524  595161404655016 4    654917 4      C-13-H3C(O)CH3
  278476.1661  0.0896 -6.0981 3 1250.2497524  595161404655016 3    654917 3      C-13-H3C(O)CH3
  278479.6211  0.0054 -6.3067 3  102.8330328  595161404201110 0    20 813 0      C-13-H3C(O)CH3
  278495.5643  0.0106 -5.2233 3  226.7513456  5951614042821 8 2    2722 6 2      C-13-H3C(O)CH3
  278501.6187  0.0045 -4.9569 3   30.7387200  59516140412 6 7 0    11 3 8 0      C-13-H3C(O)CH3
  278509.7777  0.0140 -6.3175 3  180.4577408  5951614042519 6 2    251610 2      C-13-H3C(O)CH3
  278548.1443  0.0932 -6.0980 3 1250.2523524  595161404655015 3    654916 3      C-13-H3C(O)CH3
  278554.1893  0.1020 -6.0980 3 1250.2937524  595161404655015 4    654916 4      C-13-H3C(O)CH3
  278558.2381  0.0337 -5.4249 3  835.3188824  5951614045147 5 2    5146 6 2      C-13-H3C(O)CH3
  278561.5419  0.0200 -6.6466 3  180.4502204  5951614042519 6 4    251610 4      C-13-H3C(O)CH3
  278571.2653  0.0110 -5.5247 3  226.7205228  5951614042821 8 3    2722 6 3      C-13-H3C(O)CH3
  278578.6829  0.0138 -5.5231 3  226.7526228  5951614042821 7 4    2722 5 4      C-13-H3C(O)CH3
  278588.0161  0.6971 -7.0086 3 1949.7448D36  595161404835627 1    835528 1      C-13-H3C(O)CH3
  278606.3869  0.0290 -5.4249 3  835.3138824  5951614045147 4 0    5146 5 0      C-13-H3C(O)CH3
  278606.3869  0.0290 -5.4249 3  835.3138824  5951614045147 5 0    5146 6 0      C-13-H3C(O)CH3
  278612.5325  0.0368 -6.9474 3  373.5975552  5951614043432 3 0    3333 1 0      C-13-H3C(O)CH3
  278612.5325  0.0368 -6.9474 3  373.5975552  5951614043432 2 0    3333 0 0      C-13-H3C(O)CH3
  278617.4099  0.6859 -7.0085 3 1949.6934D36  595161404835628 2    835529 2      C-13-H3C(O)CH3
  278622.0654  0.0136 -5.8439 3   61.7613248  5951614041512 4 2    1411 3 2      C-13-H3C(O)CH3
  278626.8119  0.6769 -7.0085 3 1949.7159D36  595161404835627 2    835528 2      C-13-H3C(O)CH3
  278634.8690  0.0160 -5.7562 3  189.6948424  5951614042618 8 1    2519 7 1      C-13-H3C(O)CH3
  278650.8214  0.0769 -5.7966 3 1250.2094A48  595161404655016 2    654917 2      C-13-H3C(O)CH3
  278657.2561  0.0612 -5.9153 3 1120.3299492  595161404614913 3    614814 3      C-13-H3C(O)CH3
  278664.5777  0.0745 -5.9153 3 1120.3676492  595161404614912 4    614813 4      C-13-H3C(O)CH3
  278666.2642  0.7781 -7.0082 3 1949.7179D36  595161404835627 0    835528 0      C-13-H3C(O)CH3
  278690.7439  0.0608 -5.9153 3 1120.3018492  595161404614913 4    614814 4      C-13-H3C(O)CH3
  278693.6630  0.7770 -7.0082 3 1949.7169D36  595161404835628 0    835529 0      C-13-H3C(O)CH3
  278698.1620  0.0659 -5.9153 3 1120.3395492  595161404614912 3    614813 3      C-13-H3C(O)CH3
  278700.9063  0.0749 -5.7965 3 1250.2056A48  595161404655016 1    654917 1      C-13-H3C(O)CH3
  278706.3778  0.0473 -5.7256 3  835.3358412  5951614045147 5 4    5146 6 4      C-13-H3C(O)CH3
  278707.0883  0.0805 -5.7965 3 1250.2470A48  595161404655015 1    654916 1      C-13-H3C(O)CH3
  278713.9108  0.0322 -6.9127 3  603.9420760  595161404472721 0    463016 0      C-13-H3C(O)CH3
  278725.8780  0.0435 -5.7257 3  835.3602412  5951614045147 4 3    5146 5 3      C-13-H3C(O)CH3
  278728.7832  0.0864 -5.7965 3 1250.2534A48  595161404655015 2    654916 2      C-13-H3C(O)CH3
  278728.8589  0.0373 -6.9482 3  373.5556552  5951614043432 2 2    3333 0 2      C-13-H3C(O)CH3
  278755.2701  0.0327 -5.4246 3  835.3309824  5951614045147 5 1    5146 6 1      C-13-H3C(O)CH3
  278759.2107  0.0320 -5.4247 3  835.3345824  5951614045147 4 2    5146 5 2      C-13-H3C(O)CH3
  278767.9639  0.0162 -6.5780 3  168.4340392  5951614042419 6 1    2416 8 1      C-13-H3C(O)CH3
  278774.2426  0.0306 -5.4247 3  835.3553824  5951614045147 4 1    5146 5 1      C-13-H3C(O)CH3
  278775.3821  0.0488 -5.6140 3 1120.2957984  595161404614913 2    614814 2      C-13-H3C(O)CH3
  278780.1013  0.0294 -6.3970 3  345.1073536  5951614043330 3 1    3231 1 1      C-13-H3C(O)CH3
  278782.5800  0.0578 -5.6140 3 1120.3334984  595161404614912 2    614813 2      C-13-H3C(O)CH3
  278819.8329  0.0119 -5.5236 3  226.6897228  5951614042821 8 4    2722 6 4      C-13-H3C(O)CH3
  278828.6242  0.0106 -5.5235 3  226.7218228  5951614042821 7 3    2722 5 3      C-13-H3C(O)CH3
  278837.5461  0.0532 -5.6139 3 1120.3250984  595161404614912 1    614813 1      C-13-H3C(O)CH3
  278838.2751  0.0421 -6.9474 3  373.5207552  5951614043432 3 1    3333 1 1      C-13-H3C(O)CH3
  278845.8539  0.0151 -5.3791 3  171.1489204  595161404251610 4    2417 7 4      C-13-H3C(O)CH3
  278869.1125  0.0296 -6.3957 3  345.1413536  5951614043330 3 0    3231 2 0      C-13-H3C(O)CH3
  278869.1125  0.0296 -6.3957 3  345.1413536  5951614043330 4 0    3231 1 0      C-13-H3C(O)CH3
  278870.9676  0.0505 -5.6139 3 1120.2969984  595161404614913 1    614814 1      C-13-H3C(O)CH3
  278877.1361  0.0310 -6.5665 3  442.5709648  595161404402416 0    392713 0      C-13-H3C(O)CH3
  278881.3646  0.0772 -5.7961 3 1250.2068A48  595161404655015 0    654916 0      C-13-H3C(O)CH3
  278881.3647  0.0772 -5.7961 3 1250.2068A48  595161404655016 0    654917 0      C-13-H3C(O)CH3
  278893.1899  0.0019 -5.6133 3  124.7183204  59516140425 521 3    24 420 3      C-13-H3C(O)CH3
  278893.1899  0.0019 -3.8825 3  124.7183204  59516140425 421 3    24 420 3      C-13-H3C(O)CH3
  278893.2062  0.0019 -3.8825 3  124.7183204 -59516140425 521 3    24 520 3      C-13-H3C(O)CH3
  278893.2062  0.0019 -3.8751 3  124.7183204 -59516140425 421 4    24 520 4      C-13-H3C(O)CH3
  278893.2062  0.0019 -5.6133 3  124.7183204 -59516140425 421 3    24 520 3      C-13-H3C(O)CH3
  278893.2062  0.0019 -6.7594 3  124.7183204 -59516140425 521 4    24 520 4      C-13-H3C(O)CH3
  278893.2159  0.0019 -3.8745 3  124.7183204  59516140425 521 4    24 420 4      C-13-H3C(O)CH3
  278893.6095  0.3183 -7.0207 3 1820.5403660  595161404824438 4    824339 4      C-13-H3C(O)CH3
  278893.6746  0.3184 -7.0207 3 1820.5403660  595161404824438 3    824339 3      C-13-H3C(O)CH3
  278901.5658  0.0197 -5.4603 3  515.3104696  595161404432716 0    432419 0      C-13-H3C(O)CH3
  278908.0961  0.0445 -5.7254 3  835.3514412  5951614045147 5 3    5146 6 3      C-13-H3C(O)CH3
  278909.0499  0.3102 -6.7196 3 1820.5395D20  595161404824438 1    824339 1      C-13-H3C(O)CH3
  278924.4324  0.3209 -6.7196 3 1820.5427D20  595161404824438 2    824339 2      C-13-H3C(O)CH3
  278928.2679  0.0441 -5.7255 3  835.3758412  5951614045147 4 4    5146 5 4      C-13-H3C(O)CH3
  278932.9281  0.0037 -3.9128 3   59.8769116  5951614041414 0 3    1313 0 3      C-13-H3C(O)CH3
  278934.9215  0.3129 -7.0206 3 1820.5405660  595161404824538 4    824439 4      C-13-H3C(O)CH3
  278934.9886  0.3128 -7.0206 3 1820.5405660  595161404824538 3    824439 3      C-13-H3C(O)CH3
  278939.3162  0.0058 -4.6879 3  575.7406792  595161404491633 0    491634 0      C-13-H3C(O)CH3
  278939.3162  0.0058 -5.1584 3  575.7406792  595161404491633 0    491534 0      C-13-H3C(O)CH3
  278939.3162  0.0058 -4.6879 3  575.7406792  595161404491733 0    491534 0      C-13-H3C(O)CH3
  278939.3162  0.0058 -5.1584 3  575.7406792  595161404491733 0    491634 0      C-13-H3C(O)CH3
  278939.7614  0.3111 -6.7195 3 1820.5419D20  595161404824438 0    824339 0      C-13-H3C(O)CH3
  278944.1744  0.0021 -3.5905 3  124.6880408  59516140425 521 1    24 420 1      C-13-H3C(O)CH3
  278944.1744  0.0021 -4.3768 3  124.6880408  59516140425 421 1    24 420 1      C-13-H3C(O)CH3
  278944.2169  0.0021 -4.9839 3  124.6880408 -59516140425 521 1    24 520 1      C-13-H3C(O)CH3
  278944.2169  0.0021 -3.6476 3  124.6880408 -59516140425 421 1    24 520 1      C-13-H3C(O)CH3
  278944.5950  0.0021 -3.5841 3  124.6874408  59516140425 421 2    24 520 2      C-13-H3C(O)CH3
  278944.5950  0.0021 -3.5884 3  124.6874408  59516140425 521 2    24 420 2      C-13-H3C(O)CH3
  278944.6518  0.0021 -5.1833 3  124.6874408 -59516140425 521 2    24 520 2      C-13-H3C(O)CH3
  278944.6518  0.0021 -5.0425 3  124.6874408 -59516140425 421 2    24 420 2      C-13-H3C(O)CH3
  278947.4885  0.0076 -4.3815 3   67.3628132 -5951614041611 6 4    1510 5 4      C-13-H3C(O)CH3
  278949.5269  0.0032 -3.9129 3   59.9609116  5951614041414 0 4    1313 0 4      C-13-H3C(O)CH3
  278951.2411  0.3110 -6.7195 3 1820.5397D20  595161404824538 1    824439 1      C-13-H3C(O)CH3
  278954.9403  0.0429 -5.6136 3 1120.2909984  595161404614912 0    614813 0      C-13-H3C(O)CH3
  278954.9403  0.0429 -5.6136 3 1120.2909984  595161404614913 0    614814 0      C-13-H3C(O)CH3
  278956.5608  0.0040 -3.9126 3   59.7907116  5951614041414 1 4    1313 1 4      C-13-H3C(O)CH3
  278961.2451  0.0327 -6.7242 3  442.5469648  595161404402416 1    392713 1      C-13-H3C(O)CH3
  278962.7497  0.3156 -6.7195 3 1820.5429D20  595161404824538 2    824439 2      C-13-H3C(O)CH3
  278973.0258  0.0039 -3.9127 3   59.8745116  5951614041414 1 3    1313 1 3      C-13-H3C(O)CH3
  278978.8988  0.3120 -6.7194 3 1820.5421D20  595161404824538 0    824439 0      C-13-H3C(O)CH3
  278988.6682  0.0072 -6.7670 3  575.7146792  595161404491633 2    491634 2      C-13-H3C(O)CH3
  278988.6682  0.0072 -4.5638 3  575.7146792  595161404491633 2    491534 2      C-13-H3C(O)CH3
  278988.6682  0.0072 -4.5638 3  575.7146792  595161404491733 2    491634 2      C-13-H3C(O)CH3
  278988.6682  0.0072 -6.7670 3  575.7146792  595161404491733 2    491534 2      C-13-H3C(O)CH3
  278989.8141  0.0070 -4.6062 3  575.7154792  595161404491733 1    491534 1      C-13-H3C(O)CH3
  278989.8141  0.0070 -5.5663 3  575.7154792  595161404491633 1    491534 1      C-13-H3C(O)CH3
  278989.8141  0.0070 -4.6062 3  575.7154792  595161404491633 1    491634 1      C-13-H3C(O)CH3
  278989.8141  0.0070 -5.5663 3  575.7154792  595161404491733 1    491634 1      C-13-H3C(O)CH3
  278994.8851  0.0293 -5.4619 3  540.9990712  595161404442816 0    442519 0      C-13-H3C(O)CH3
  278995.4501  0.0019 -3.5942 3  124.6572408 -59516140425 521 0    24 420 0      C-13-H3C(O)CH3
  278995.4501  0.0019 -3.5942 3  124.6572408 -59516140425 421 0    24 520 0      C-13-H3C(O)CH3
  278995.4507  0.0019 -4.8997 3  124.6572408  59516140425 421 0    24 420 0      C-13-H3C(O)CH3
  278995.4507  0.0019 -4.8997 3  124.6572408  59516140425 521 0    24 520 0      C-13-H3C(O)CH3
  279025.0807  0.0306 -6.6981 3  345.0575268  5951614043330 3 4    3231 1 4      C-13-H3C(O)CH3
  279026.5646  0.0208 -6.8103 3  168.4265196  5951614042419 6 3    2416 8 3      C-13-H3C(O)CH3
  279039.2421  0.0076 -4.8645 3  575.6893396  595161404491733 3    491534 3      C-13-H3C(O)CH3
  279039.2421  0.0076 -4.8645 3  575.6893396  595161404491633 3    491634 3      C-13-H3C(O)CH3
  279039.2612  0.0076 -6.0124 3  575.6893396  595161404491633 4    491634 4      C-13-H3C(O)CH3
  279039.2612  0.0076 -4.8937 3  575.6893396  595161404491733 4    491634 4      C-13-H3C(O)CH3
  279039.2612  0.0076 -6.0124 3  575.6893396  595161404491733 4    491534 4      C-13-H3C(O)CH3
  279039.2612  0.0076 -4.8937 3  575.6893396  595161404491633 4    491534 4      C-13-H3C(O)CH3
  279056.4429  0.0196 -5.4599 3  515.2896696  595161404432716 1    432419 1      C-13-H3C(O)CH3
  279056.5319  0.0433 -5.8424 3  428.8058316  595161404392613 3    392316 3      C-13-H3C(O)CH3
  279068.0181  0.0443 -5.5634 3  428.8268632  595161404392613 2    392316 2      C-13-H3C(O)CH3
  279111.1215  0.0179 -5.4594 3  515.2815696  595161404432716 2    432419 2      C-13-H3C(O)CH3
  279114.0655  0.0289 -6.3958 3  345.0915536  5951614043330 3 2    3231 1 2      C-13-H3C(O)CH3
  279147.3398  0.0384 -6.9456 3  373.5201552  5951614043432 3 2    3333 1 2      C-13-H3C(O)CH3
  279175.1581  0.0324 -6.3952 3  345.0652536  5951614043330 4 1    3231 2 1      C-13-H3C(O)CH3
  279183.3345  0.0032 -3.6110 3   59.9081232 -5951614041414 0 1    1313 0 1      C-13-H3C(O)CH3
  279206.2154  0.0037 -3.6108 3   59.8219232 -5951614041414 1 1    1313 1 1      C-13-H3C(O)CH3
  279210.9875  0.0053 -5.2008 3  168.4333204  595161404251511 4    2416 8 4      C-13-H3C(O)CH3
  279214.5787  0.0036 -3.6108 3   59.8333232 -5951614041414 1 2    1313 1 2      C-13-H3C(O)CH3
  279225.2242  0.0191 -6.7208 3  168.4265196  5951614042419 5 3    2416 8 3      C-13-H3C(O)CH3
  279231.7618  0.0033 -3.6108 3   59.9171232 -5951614041414 0 2    1313 0 2      C-13-H3C(O)CH3
  279242.3468  0.0157 -5.7594 3  515.2605348  595161404432716 3    432419 3      C-13-H3C(O)CH3
  279270.7195  0.0158 -5.0360 3  892.4930952  595161404592534 0    592435 0      C-13-H3C(O)CH3
  279270.7196  0.0158 -5.0360 3  892.4930952  595161404592634 0    592535 0      C-13-H3C(O)CH3
  279291.8603  0.0269 -5.4626 3  540.9779712  595161404442816 1    442519 1      C-13-H3C(O)CH3
  279292.9870  0.0313 -6.6959 3  345.0401268  5951614043330 3 3    3231 1 3      C-13-H3C(O)CH3
  279293.1691  0.0159 -5.7607 3  515.2606348  595161404432716 4    432419 4      C-13-H3C(O)CH3
  279298.0335  0.0058 -4.4409 3   58.0389124  5951614041510 5 3    14 9 6 3      C-13-H3C(O)CH3
  279299.6928  0.0512 -5.8894 3  428.8060316  595161404392613 4    392316 4      C-13-H3C(O)CH3
  279308.0100  0.0177 -5.0359 3  892.4979952  595161404592534 1    592435 1      C-13-H3C(O)CH3
  279308.0100  0.0177 -5.0359 3  892.4979952  595161404592634 1    592535 1      C-13-H3C(O)CH3
  279311.0586  0.0224 -5.0358 3  892.4983952  595161404592534 2    592435 2      C-13-H3C(O)CH3
  279311.0587  0.0224 -5.0358 3  892.4983952  595161404592634 2    592535 2      C-13-H3C(O)CH3
  279330.0069  0.0095 -4.9591 3  171.1403408  595161404251610 2    2417 7 2      C-13-H3C(O)CH3
  279334.2342  0.0162 -6.5409 3  168.4302392  5951614042419 6 2    2416 8 2      C-13-H3C(O)CH3
  279339.7813  0.0097 -5.0022 3  171.1416408  595161404251610 1    2417 7 1      C-13-H3C(O)CH3
  279348.4223  0.0224 -5.3367 3  892.5033476  595161404592634 3    592535 3      C-13-H3C(O)CH3
  279348.4223  0.0224 -5.3367 3  892.5033476  595161404592534 3    592435 3      C-13-H3C(O)CH3
  279348.5417  0.0225 -5.3367 3  892.5033476  595161404592534 4    592435 4      C-13-H3C(O)CH3
  279348.5418  0.0225 -5.3367 3  892.5033476  595161404592634 4    592535 4      C-13-H3C(O)CH3
  279381.7495  0.0037 -4.8808 3  168.4302408  595161404251511 2    2416 8 2      C-13-H3C(O)CH3
  279382.7212  0.0296 -6.3936 3  345.0741536  5951614043330 4 2    3231 2 2      C-13-H3C(O)CH3
  279388.4090  0.0371 -5.4576 3  971.5751904  5951614045648 8 2    5647 9 2      C-13-H3C(O)CH3
  279388.5369  0.0493 -5.7586 3  971.5998452  5951614045648 8 4    5647 9 4      C-13-H3C(O)CH3
  279399.1006  0.0051 -4.1412 3   58.0002248 -5951614041510 5 2    14 9 6 2      C-13-H3C(O)CH3
  279400.6106  0.0039 -4.8871 3  168.4340408  595161404251511 1    2416 8 1      C-13-H3C(O)CH3
  279418.5141  0.0312 -6.6963 3  345.0155268  5951614043330 4 3    3231 2 3      C-13-H3C(O)CH3
  279423.7400  0.0046 -5.1825 3  168.4265204  595161404251511 3    2416 8 3      C-13-H3C(O)CH3
  279427.0916  0.0040 -4.1335 3   57.9641248 -5951614041510 5 0    14 9 6 0      C-13-H3C(O)CH3
  279437.8893  0.0427 -5.7586 3  971.5958452  5951614045648 8 3    5647 9 3      C-13-H3C(O)CH3
  279454.3691  0.0053 -5.3513 3  180.9682212  595161404261512 4    2516 9 4      C-13-H3C(O)CH3
  279464.7728  0.0033 -3.6100 3   59.8645232 -5951614041414 0 0    1313 1 0      C-13-H3C(O)CH3
  279464.7728  0.0033 -3.6100 3   59.8645232 -5951614041414 1 0    1313 0 0      C-13-H3C(O)CH3
  279467.6821  0.0028 -4.8768 3  168.4342408  595161404251511 0    2416 8 0      C-13-H3C(O)CH3
  279486.1865  0.0087 -5.3499 3  180.9672212  595161404261512 3    2516 9 3      C-13-H3C(O)CH3
  279493.7471  0.0359 -5.4575 3  971.5573904  5951614045648 9 2    564710 2      C-13-H3C(O)CH3
  279493.9727  0.0450 -5.7585 3  971.5820452  5951614045648 9 3    564710 3      C-13-H3C(O)CH3
  279494.6916  0.0048 -4.1449 3   58.0009248  5951614041510 5 1    14 9 6 1      C-13-H3C(O)CH3
  279523.7866  0.0236 -6.0209 3  317.9913520  5951614043228 5 0    3129 2 0      C-13-H3C(O)CH3
  279523.7866  0.0236 -6.0209 3  317.9913520  5951614043228 4 0    3129 3 0      C-13-H3C(O)CH3
  279535.5801  0.0314 -5.4573 3  971.5481904  5951614045648 8 0    564710 0      C-13-H3C(O)CH3
  279535.5801  0.0314 -5.4573 3  971.5481904  5951614045648 9 0    5647 9 0      C-13-H3C(O)CH3
  279536.6691  0.0370 -5.4573 3  971.5729904  5951614045648 8 1    5647 9 1      C-13-H3C(O)CH3
  279542.5092  0.0368 -5.4640 3  540.9681712  595161404442816 2    442519 2      C-13-H3C(O)CH3
  279543.6775  0.0454 -5.7585 3  971.5780452  5951614045648 9 4    564710 4      C-13-H3C(O)CH3
  279551.5300  0.0230 -6.0217 3  317.9441520  5951614043228 4 1    3129 2 1      C-13-H3C(O)CH3
  279570.9471  0.0048 -4.8424 3  171.1405408  595161404251610 0    2417 7 0      C-13-H3C(O)CH3
  279585.6937  0.0338 -5.4574 3  971.5689904  5951614045648 9 1    564710 1      C-13-H3C(O)CH3
  279585.9570  0.0058 -5.0480 3  180.9736424  595161404261512 1    2516 9 1      C-13-H3C(O)CH3
  279632.0726  0.0060 -4.4653 3   58.0353124  5951614041510 5 4    14 9 6 4      C-13-H3C(O)CH3
  279637.7002  0.0053 -5.6901 3  546.3055776  595161404481533 0    481534 0      C-13-H3C(O)CH3
  279637.7002  0.0053 -5.6901 3  546.3055776  595161404481633 0    481434 0      C-13-H3C(O)CH3
  279637.7388  0.0053 -4.5547 3  546.3055776 -595161404481633 0    481534 0      C-13-H3C(O)CH3
  279637.7388  0.0053 -4.5547 3  546.3055776 -595161404481533 0    481434 0      C-13-H3C(O)CH3
  279661.7245  0.0382 -5.4664 3  811.3950808  5951614045047 4 2    5046 5 2      C-13-H3C(O)CH3
  279668.9774  0.0313 -5.4666 3  811.3950808  5951614045047 3 0    5046 4 0      C-13-H3C(O)CH3
  279668.9774  0.0313 -5.4666 3  811.3950808  5951614045047 4 0    5046 5 0      C-13-H3C(O)CH3
  279670.3844  0.0051 -4.2922 3   67.3553132  5951614041611 6 3    1510 5 3      C-13-H3C(O)CH3
  279673.1514  0.0266 -6.3411 3  189.6566212  5951614042618 8 4    2519 7 4      C-13-H3C(O)CH3
  279677.6084  0.0067 -4.5321 3  546.2775776  595161404481633 2    481534 2      C-13-H3C(O)CH3
  279677.6084  0.0067 -4.5321 3  546.2775776  595161404481533 2    481434 2      C-13-H3C(O)CH3
  279677.6132  0.0067 -6.2473 3  546.2775776 -595161404481633 2    481434 2      C-13-H3C(O)CH3
  279677.6132  0.0067 -6.2473 3  546.2775776 -595161404481533 2    481534 2      C-13-H3C(O)CH3
  279678.9669  0.0066 -5.1876 3  546.2782776 -595161404481533 1    481434 1      C-13-H3C(O)CH3
  279678.9669  0.0066 -4.6300 3  546.2782776 -595161404481633 1    481434 1      C-13-H3C(O)CH3
  279679.0766  0.0066 -5.1876 3  546.2782776  595161404481633 1    481534 1      C-13-H3C(O)CH3
  279679.0766  0.0066 -4.6300 3  546.2782776  595161404481533 1    481534 1      C-13-H3C(O)CH3
  279684.3131  0.0362 -6.6941 3  344.9980268  5951614043330 4 4    3231 2 4      C-13-H3C(O)CH3
  279690.3437  0.0058 -5.0427 3  180.9652424  595161404261512 2    2516 9 2      C-13-H3C(O)CH3
  279712.3654  0.0052 -4.0184 3   67.3238264 -5951614041611 6 1    1510 5 1      C-13-H3C(O)CH3
  279719.0290  0.0072 -5.3573 3  546.2501388  595161404481533 4    481534 4      C-13-H3C(O)CH3
  279719.0290  0.0072 -4.9754 3  546.2501388  595161404481633 4    481534 4      C-13-H3C(O)CH3
  279719.0290  0.0072 -4.9754 3  546.2501388  595161404481533 4    481434 4      C-13-H3C(O)CH3
  279719.0290  0.0072 -5.3573 3  546.2501388  595161404481633 4    481434 4      C-13-H3C(O)CH3
  279719.0492  0.0072 -5.7048 3  546.2502388  595161404481633 3    481434 3      C-13-H3C(O)CH3
  279719.0492  0.0072 -4.8860 3  546.2502388  595161404481633 3    481534 3      C-13-H3C(O)CH3
  279719.0492  0.0072 -4.8860 3  546.2502388  595161404481533 3    481434 3      C-13-H3C(O)CH3
  279719.0492  0.0072 -5.7048 3  546.2502388  595161404481533 3    481534 3      C-13-H3C(O)CH3
  279782.4195  0.0296 -5.7635 3  540.9468356  595161404442816 3    442519 3      C-13-H3C(O)CH3
  279803.8200  0.0039 -5.0412 3  180.9711424  595161404261512 0    2516 9 0      C-13-H3C(O)CH3
  279830.3110  0.0082 -5.1719 3  171.1178204  595161404251610 3    2417 7 3      C-13-H3C(O)CH3
  279850.8206  0.0543 -5.7670 3  811.4118404  5951614045047 4 4    5046 5 4      C-13-H3C(O)CH3
  279851.9245  0.0507 -5.7673 3  811.4422404  5951614045047 4 3    5046 4 3      C-13-H3C(O)CH3
  279857.7400  0.0232 -6.0203 3  317.9378520  5951614043228 5 2    3129 2 2      C-13-H3C(O)CH3
  279858.5556  0.0365 -5.4661 3  811.4119808  5951614045047 4 1    5046 5 1      C-13-H3C(O)CH3
  279859.0974  0.0347 -5.4664 3  811.4423808  5951614045047 3 1    5046 4 1      C-13-H3C(O)CH3
  279861.4477  0.1149 -6.2620 3 1355.2639548  595161404685118 4    685019 4      C-13-H3C(O)CH3
  279867.6471  0.1085 -6.1991 3 1383.1387580  595161404723636 4    723537 4      C-13-H3C(O)CH3
  279867.6822  0.1085 -6.1991 3 1383.1387580  595161404723636 3    723537 3      C-13-H3C(O)CH3
  279868.0000  0.1085 -6.1991 3 1383.1387580  595161404723736 4    723637 4      C-13-H3C(O)CH3
  279868.0360  0.1084 -6.1991 3 1383.1387580  595161404723736 3    723637 3      C-13-H3C(O)CH3
  279879.0691  0.0248 -6.0200 3  317.9204520  5951614043228 5 1    3129 3 1      C-13-H3C(O)CH3
  279879.1697  0.0371 -5.4662 3  811.4200808  5951614045047 3 2    5046 4 2      C-13-H3C(O)CH3
  279884.4712  0.0242 -6.3222 3  317.8907260  5951614043228 4 4    3129 2 4      C-13-H3C(O)CH3
  279888.8500  0.0055 -4.0091 3   67.3199264 -5951614041611 6 2    1510 5 2      C-13-H3C(O)CH3
  279889.0080  0.0542 -5.7702 3 1145.5500532  595161404663135 3    663036 3      C-13-H3C(O)CH3
  279889.0164  0.0542 -5.7702 3 1145.5500532  595161404663235 3    663136 3      C-13-H3C(O)CH3
  279889.0420  0.0543 -5.7702 3 1145.5500532  595161404663135 4    663036 4      C-13-H3C(O)CH3
  279889.0503  0.0543 -5.7702 3 1145.5500532  595161404663235 4    663136 4      C-13-H3C(O)CH3
  279892.3964  0.0488 -5.4691 3 1145.5317A64  595161404663135 1    663036 1      C-13-H3C(O)CH3
  279892.4041  0.0488 -5.4691 3 1145.5317A64  595161404663235 1    663136 1      C-13-H3C(O)CH3
  279894.7880  0.1086 -5.8980 3 1383.1215B60  595161404723636 1    723537 1      C-13-H3C(O)CH3
  279895.1329  0.1086 -5.8980 3 1383.1215B60  595161404723736 1    723637 1      C-13-H3C(O)CH3
  279896.6422  0.1250 -6.2620 3 1355.3115548  595161404685117 3    685018 3      C-13-H3C(O)CH3
  279897.5166  0.0533 -5.4691 3 1145.5336A64  595161404663135 2    663036 2      C-13-H3C(O)CH3
  279897.5233  0.0533 -5.4691 3 1145.5336A64  595161404663235 2    663136 2      C-13-H3C(O)CH3
  279897.7110  0.0368 -5.7681 3  540.9470356  595161404442816 4    442519 4      C-13-H3C(O)CH3
  279900.9340  0.0480 -5.4691 3 1145.5154A64  595161404663135 0    663036 0      C-13-H3C(O)CH3
  279900.9402  0.0480 -5.4691 3 1145.5154A64  595161404663235 0    663136 0      C-13-H3C(O)CH3
  279901.0056  0.1096 -5.8980 3 1383.1245B60  595161404723636 2    723537 2      C-13-H3C(O)CH3
  279901.3093  0.1095 -5.8980 3 1383.1245B60  595161404723736 2    723637 2      C-13-H3C(O)CH3
  279928.0906  0.1090 -5.8978 3 1383.1074B60  595161404723636 0    723537 0      C-13-H3C(O)CH3
  279928.3865  0.1091 -5.8978 3 1383.1074B60  595161404723736 0    723637 0      C-13-H3C(O)CH3
  279965.5675  0.1208 -6.2619 3 1355.3090548  595161404685118 3    685019 3      C-13-H3C(O)CH3
  279967.0215  0.0021 -3.8346 3  127.9353212  59516140426 423 3    25 422 3      C-13-H3C(O)CH3
  279967.0215  0.0021 -6.0420 3  127.9353212  59516140426 323 3    25 422 3      C-13-H3C(O)CH3
  279967.0518  0.0021 -3.8623 3  127.9354212  59516140426 323 4    25 422 4      C-13-H3C(O)CH3
  279967.0518  0.0021 -5.0017 3  127.9354212  59516140426 423 4    25 422 4      C-13-H3C(O)CH3
  279967.0698  0.0021 -5.0017 3  127.9354212 -59516140426 323 4    25 322 4      C-13-H3C(O)CH3
  279967.0698  0.0021 -3.8346 3  127.9353212 -59516140426 323 3    25 322 3      C-13-H3C(O)CH3
  279967.0698  0.0021 -3.8623 3  127.9354212 -59516140426 423 4    25 322 4      C-13-H3C(O)CH3
  279967.0698  0.0021 -6.0420 3  127.9353212 -59516140426 423 3    25 322 3      C-13-H3C(O)CH3
  279977.3029  0.0230 -6.0187 3  317.9358520  5951614043228 4 2    3129 3 2      C-13-H3C(O)CH3
  279980.7938  0.0053 -4.2083 3  104.8962328 -5951614042011 9 0    1912 8 0      C-13-H3C(O)CH3
  279986.9527  0.0061 -4.2071 3  104.9109328 -5951614042011 9 2    1912 8 2      C-13-H3C(O)CH3
  279994.3203  0.0180 -7.0208 3  132.0097172  5951614042118 3 3    2115 6 3      C-13-H3C(O)CH3
  280000.4042  0.1315 -6.2619 3 1355.3567548  595161404685117 4    685018 4      C-13-H3C(O)CH3
  280002.7371  0.0243 -6.3206 3  317.8887260  5951614043228 4 3    3129 2 3      C-13-H3C(O)CH3
  280003.2073  0.0116 -6.1907 3  465.3829680  595161404422022 1    412319 1      C-13-H3C(O)CH3
  280009.3700  0.0022 -3.8752 3  127.8986424  59516140426 423 1    25 322 1      C-13-H3C(O)CH3
  280009.3700  0.0022 -3.8752 3  127.8986424  59516140426 323 1    25 422 1      C-13-H3C(O)CH3
  280009.5059  0.0022 -3.7922 3  127.8986424 -59516140426 423 1    25 422 1      C-13-H3C(O)CH3
  280009.5059  0.0022 -3.5329 3  127.8981424 -59516140426 423 2    25 422 2      C-13-H3C(O)CH3
  280009.5059  0.0022 -3.7922 3  127.8986424 -59516140426 323 1    25 322 1      C-13-H3C(O)CH3
  280009.5059  0.0022 -5.8352 3  127.8981424 -59516140426 323 2    25 422 2      C-13-H3C(O)CH3
  280009.6219  0.0022 -5.8352 3  127.8981424  59516140426 423 2    25 322 2      C-13-H3C(O)CH3
  280009.6219  0.0022 -3.5329 3  127.8981424  59516140426 323 2    25 322 2      C-13-H3C(O)CH3
  280011.3815  0.0125 -6.4906 3  465.3566340  595161404422022 3    412319 3      C-13-H3C(O)CH3
  280011.9192  0.0125 -6.4905 3  465.3565340  595161404422022 4    412319 4      C-13-H3C(O)CH3
  280015.1460  0.0191 -5.4980 3  421.9621632  595161404392415 2    392118 2      C-13-H3C(O)CH3
  280051.8614  0.0019 -4.3550 3  127.8614424  59516140426 423 0    25 422 0      C-13-H3C(O)CH3
  280051.8614  0.0019 -3.6011 3  127.8614424  59516140426 323 0    25 422 0      C-13-H3C(O)CH3
  280051.8841  0.0019 -4.3550 3  127.8614424 -59516140426 323 0    25 322 0      C-13-H3C(O)CH3
  280051.8841  0.0019 -3.6011 3  127.8614424 -59516140426 423 0    25 322 0      C-13-H3C(O)CH3
  280052.3241  0.0143 -4.5505 3   61.7568124  5951614041512 4 3    1411 3 3      C-13-H3C(O)CH3
  280054.1023  0.0100 -6.1896 3  465.4044680  595161404422022 0    412319 0      C-13-H3C(O)CH3
  280062.9861  0.0123 -6.1884 3  465.3780680  595161404422022 2    412319 2      C-13-H3C(O)CH3
  280069.2485  0.0521 -5.7668 3  811.4368404  5951614045047 3 3    5046 5 3      C-13-H3C(O)CH3
  280070.9963  0.0510 -5.7670 3  811.4672404  5951614045047 3 4    5046 4 4      C-13-H3C(O)CH3
  280082.5924  0.0047 -6.1883 3   19.1267 92  59516140411 2 9 3    10 110 3      C-13-H3C(O)CH3
  280082.7284  0.0047 -6.1883 3   19.1267 92  59516140411 3 9 3    10 010 3      C-13-H3C(O)CH3
  280082.8198  0.0057 -6.1883 3   19.1267 92  59516140411 2 9 4    10 110 4      C-13-H3C(O)CH3
  280082.9536  0.0057 -6.1883 3   19.1267 92  59516140411 3 9 4    10 010 4      C-13-H3C(O)CH3
  280095.5714  0.1127 -5.9604 3 1355.2695A96  595161404685118 2    685019 2      C-13-H3C(O)CH3
  280098.6060  0.1067 -5.9604 3 1355.2648A96  595161404685118 1    685019 1      C-13-H3C(O)CH3
  280108.7703  0.0289 -6.9536 3  781.5562888  595161404552431 1    542728 1      C-13-H3C(O)CH3
  280109.4026  0.0289 -6.9536 3  781.5562888  595161404552531 1    542628 1      C-13-H3C(O)CH3
  280114.4773  0.0328 -6.9527 3  781.5560888  595161404552431 2    542728 2      C-13-H3C(O)CH3
  280115.1047  0.0328 -6.9527 3  781.5559888  595161404552531 2    542628 2      C-13-H3C(O)CH3
  280117.6534  0.0143 -5.5001 3  421.9916632  595161404392415 0    392118 0      C-13-H3C(O)CH3
  280118.8019  0.0247 -6.9542 3  781.5572888  595161404552431 0    542728 0      C-13-H3C(O)CH3
  280119.3700  0.0247 -6.9542 3  781.5572888  595161404552531 0    542628 0      C-13-H3C(O)CH3
  280126.2583  0.0203 -5.7988 3  421.9392316  595161404392415 4    392118 4      C-13-H3C(O)CH3
  280127.3196  0.0230 -5.7988 3  421.9392316  595161404392415 3    392118 3      C-13-H3C(O)CH3
  280133.5338  0.1208 -5.9604 3 1355.3124A96  595161404685117 1    685018 1      C-13-H3C(O)CH3
  280136.6770  0.0065 -4.5040 3  104.9287164 -5951614042011 9 3    1912 8 3      C-13-H3C(O)CH3
  280146.0040  0.5228 -6.7701 3 1821.5629C88  595161404805526 1    805427 1      C-13-H3C(O)CH3
  280177.9596  0.0059 -4.2046 3  104.9127328 -5951614042011 9 1    1912 8 1      C-13-H3C(O)CH3
  280199.3167  0.1214 -5.9603 3 1355.3147A96  595161404685117 2    685018 2      C-13-H3C(O)CH3
  280210.1011  0.0241 -6.3204 3  317.8671260  5951614043228 5 3    3129 3 3      C-13-H3C(O)CH3
  280216.7473  0.1862 -6.5913 3 1594.9177620  595161404774037 4    773938 4      C-13-H3C(O)CH3
  280216.8125  0.1862 -6.5913 3 1594.9177620  595161404774037 3    773938 3      C-13-H3C(O)CH3
  280220.9565  0.1857 -6.5912 3 1594.9178620  595161404774137 4    774038 4      C-13-H3C(O)CH3
  280221.0249  0.1857 -6.5912 3 1594.9177620  595161404774137 3    774038 3      C-13-H3C(O)CH3
  280227.5405  0.0157 -5.4999 3  421.9688632  595161404392415 1    392118 1      C-13-H3C(O)CH3
  280235.7415  0.0072 -4.5047 3  104.9263164 -5951614042011 9 4    1912 8 4      C-13-H3C(O)CH3
  280246.0480  0.1894 -6.2901 3 1594.9076C40  595161404774037 1    773938 1      C-13-H3C(O)CH3
  280250.2766  0.1896 -6.2901 3 1594.9077C40  595161404774137 1    774038 1      C-13-H3C(O)CH3
  280254.2005  0.1894 -6.2901 3 1594.9111C40  595161404774037 2    773938 2      C-13-H3C(O)CH3
  280257.9713  0.1890 -6.2901 3 1594.9112C40  595161404774137 2    774038 2      C-13-H3C(O)CH3
  280260.8535  0.0297 -5.5079 3  472.8454664  595161404412714 0    412417 0      C-13-H3C(O)CH3
  280283.3780  0.1905 -6.2900 3 1594.9011C40  595161404774037 0    773938 0      C-13-H3C(O)CH3
  280287.1630  0.1908 -6.2900 3 1594.9011C40  595161404774137 0    774038 0      C-13-H3C(O)CH3
  280297.9186  0.0050 -5.4878 3  517.4519760 -595161404471433 0    471434 0      C-13-H3C(O)CH3
  280297.9186  0.0050 -4.8963 3  517.4519760 -595161404471533 0    471334 0      C-13-H3C(O)CH3
  280297.9566  0.0050 -4.7061 3  517.4519760  595161404471533 0    471434 0      C-13-H3C(O)CH3
  280297.9566  0.0050 -4.5358 3  517.4519760  595161404471433 0    471334 0      C-13-H3C(O)CH3
  280305.2528  0.0152 -6.3697 3  168.4340392  5951614042419 5 1    2416 8 1      C-13-H3C(O)CH3
  280310.2474  0.0030 -4.0884 3   61.6808124  5951614041512 4 4    1411 4 4      C-13-H3C(O)CH3
  280311.3164  0.0034 -3.9856 3   67.2848264 -5951614041611 6 0    1510 5 0      C-13-H3C(O)CH3
  280321.1217  0.0038 -4.2702 3   61.7568124  5951614041512 3 3    1411 3 3      C-13-H3C(O)CH3
  280324.6193  0.0170 -6.8577 3  131.9354172  5951614042118 4 4    2115 7 4      C-13-H3C(O)CH3
  280325.3281  0.0063 -4.8169 3  517.4225760  595161404471433 2    471334 2      C-13-H3C(O)CH3
  280325.3281  0.0063 -4.8169 3  517.4225760  595161404471533 2    471434 2      C-13-H3C(O)CH3
  280325.3281  0.0063 -4.7659 3  517.4225760  595161404471433 2    471434 2      C-13-H3C(O)CH3
  280325.3281  0.0063 -4.7659 3  517.4225760  595161404471533 2    471334 2      C-13-H3C(O)CH3
  280327.0731  0.0064 -6.0770 3  517.4233760  595161404471433 1    471334 1      C-13-H3C(O)CH3
  280327.0731  0.0064 -4.5011 3  517.4233760  595161404471433 1    471434 1      C-13-H3C(O)CH3
  280327.0731  0.0064 -4.5011 3  517.4233760  595161404471533 1    471334 1      C-13-H3C(O)CH3
  280327.0731  0.0064 -6.0770 3  517.4233760  595161404471533 1    471434 1      C-13-H3C(O)CH3
  280328.1384  0.0281 -6.3188 3  317.8649260  5951614043228 5 4    3129 3 4      C-13-H3C(O)CH3
  280332.3107  0.1230 -5.9599 3 1355.2705A96  595161404685117 0    685018 0      C-13-H3C(O)CH3
  280332.3124  0.1230 -5.9599 3 1355.2705A96  595161404685118 0    685019 0      C-13-H3C(O)CH3
  280335.0805  0.5285 -6.7698 3 1821.6013C88  595161404805525 1    805426 1      C-13-H3C(O)CH3
  280354.4283  0.0068 -5.1722 3  517.3938380  595161404471533 4    471334 4      C-13-H3C(O)CH3
  280354.4283  0.0068 -5.0236 3  517.3938380  595161404471533 4    471434 4      C-13-H3C(O)CH3
  280354.4283  0.0068 -5.1722 3  517.3938380  595161404471433 4    471434 4      C-13-H3C(O)CH3
  280354.4283  0.0068 -5.0236 3  517.3938380  595161404471433 4    471334 4      C-13-H3C(O)CH3
  280354.4928  0.0068 -4.7930 3  517.3938380  595161404471533 3    471434 3      C-13-H3C(O)CH3
  280354.4928  0.0068 -7.0320 3  517.3938380  595161404471433 3    471434 3      C-13-H3C(O)CH3
  280354.4928  0.0068 -4.7930 3  517.3938380  595161404471433 3    471334 3      C-13-H3C(O)CH3
  280354.4928  0.0068 -7.0320 3  517.3938380  595161404471533 3    471334 3      C-13-H3C(O)CH3
  280363.5406  0.0216 -6.6267 3  168.4333196  5951614042419 5 4    2416 8 4      C-13-H3C(O)CH3
  280367.9808  0.4979 -6.7696 3 1821.5496C88  595161404805526 2    805427 2      C-13-H3C(O)CH3
  280398.3860  0.0061 -5.8856 3   19.0530184  59516140411 2 9 2    10 110 2      C-13-H3C(O)CH3
  280398.5279  0.0061 -5.8856 3   19.0530184  59516140411 3 9 2    10 010 2      C-13-H3C(O)CH3
  280401.1209  0.0060 -5.8858 3   19.0535184  59516140411 2 9 1    10 110 1      C-13-H3C(O)CH3
  280401.2585  0.0060 -5.8858 3   19.0535184  59516140411 3 9 1    10 010 1      C-13-H3C(O)CH3
  280416.4969  0.0136 -4.9764 3  857.2735936  595161404582534 0    582435 0      C-13-H3C(O)CH3
  280416.4969  0.0136 -4.9764 3  857.2735936  595161404582434 0    582335 0      C-13-H3C(O)CH3
  280424.3623  0.0039 -4.2698 3   61.7444124  5951614041512 4 3    1411 4 3      C-13-H3C(O)CH3
  280426.1332  0.4884 -6.7696 3 1821.5776C88  595161404805525 2    805426 2      C-13-H3C(O)CH3
  280436.5538  0.0023 -4.0867 3   61.8204124  5951614041512 3 4    1411 3 4      C-13-H3C(O)CH3
  280451.1030  0.0511 -7.0073 3  518.8760348  595161404432816 4    432518 4      C-13-H3C(O)CH3
  280460.8379  0.0155 -4.9760 3  857.2755936  595161404582434 1    582335 1      C-13-H3C(O)CH3
  280460.8379  0.0155 -4.9760 3  857.2755936  595161404582534 1    582435 1      C-13-H3C(O)CH3
  280463.4775  0.0197 -4.9760 3  857.2757936  595161404582534 2    582435 2      C-13-H3C(O)CH3
  280463.4775  0.0197 -4.9760 3  857.2757936  595161404582434 2    582335 2      C-13-H3C(O)CH3
  280475.0791  0.5863 -6.7694 3 1821.5686C88  595161404805525 0    805426 0      C-13-H3C(O)CH3
  280480.1187  0.5862 -6.7694 3 1821.5684C88  595161404805526 0    805427 0      C-13-H3C(O)CH3
  280507.8973  0.0194 -5.2768 3  857.2776468  595161404582434 3    582335 3      C-13-H3C(O)CH3
  280507.8973  0.0194 -5.2768 3  857.2776468  595161404582534 3    582435 3      C-13-H3C(O)CH3
  280508.0251  0.0195 -5.2768 3  857.2776468  595161404582534 4    582435 4      C-13-H3C(O)CH3
  280508.0251  0.0195 -5.2768 3  857.2776468  595161404582434 4    582335 4      C-13-H3C(O)CH3
  280516.1087  0.0131 -6.1614 3  168.4342392  5951614042419 5 0    2416 8 0      C-13-H3C(O)CH3
  280529.5430  0.0697 -5.8832 3 1091.4474484  595161404604911 4    604812 4      C-13-H3C(O)CH3
  280555.3844  0.0578 -5.8831 3 1091.4125484  595161404604912 3    604813 3      C-13-H3C(O)CH3
  280560.0681  0.0026 -3.7880 3   61.6870248 -5951614041512 4 1    1411 4 1      C-13-H3C(O)CH3
  280562.6868  0.0314 -5.5151 3  472.8228664  595161404412714 1    412417 1      C-13-H3C(O)CH3
  280574.7474  0.0608 -5.8832 3 1091.4238484  595161404604911 3    604812 3      C-13-H3C(O)CH3
  280600.3746  0.0025 -3.7884 3   61.6953248 -5951614041512 4 2    1411 4 2      C-13-H3C(O)CH3
  280600.5885  0.0581 -5.8831 3 1091.3888484  595161404604912 4    604813 4      C-13-H3C(O)CH3
  280611.6512  0.0024 -3.7873 3   61.7612248 -5951614041512 3 1    1411 3 1      C-13-H3C(O)CH3
  280623.4452  0.0534 -5.5819 3 1091.4159968  595161404604911 2    604812 2      C-13-H3C(O)CH3
  280646.7575  0.0201 -6.8667 3  132.0491172  5951614042118 3 4    2115 6 4      C-13-H3C(O)CH3
  280649.3701  0.0455 -5.5819 3 1091.3809968  595161404604912 2    604813 2      C-13-H3C(O)CH3
  280653.2285  0.0027 -3.7875 3   61.7613248 -5951614041512 3 2    1411 3 2      C-13-H3C(O)CH3
  280654.5104  0.0355 -5.5373 3  787.9753792  5951614044947 2 0    4946 4 0      C-13-H3C(O)CH3
  280654.5104  0.0355 -5.5373 3  787.9753792  5951614044947 3 0    4946 3 0      C-13-H3C(O)CH3
  280654.6947  0.0023 -3.7834 3   61.7063248 -5951614041512 4 0    1411 3 0      C-13-H3C(O)CH3
  280673.5935  0.0152 -6.3978 3  168.4302392  5951614042419 5 2    2416 8 2      C-13-H3C(O)CH3
  280674.7202  0.0085 -5.4677 3  171.0954408  595161404251610 2    2417 8 2      C-13-H3C(O)CH3
  280692.4055  0.0187 -5.7256 3  292.1556504  5951614043126 6 0    3027 3 0      C-13-H3C(O)CH3
  280692.4085  0.0187 -5.7256 3  292.1556504  5951614043126 5 0    3027 4 0      C-13-H3C(O)CH3
  280693.1599  0.0143 -4.5491 3   61.7444124  5951614041512 3 3    1411 4 3      C-13-H3C(O)CH3
  280694.0572  0.0446 -5.5371 3  787.9708792  5951614044947 3 2    4946 4 2      C-13-H3C(O)CH3
  280705.0555  0.0501 -5.5818 3 1091.4083968  595161404604911 1    604812 1      C-13-H3C(O)CH3
  280716.2523  0.0064 -5.8841 3   18.9799184  59516140411 2 9 0    10 110 0      C-13-H3C(O)CH3
  280716.3969  0.0064 -5.8841 3   18.9799184  59516140411 3 9 0    10 010 0      C-13-H3C(O)CH3
  280717.4731  0.0082 -6.3271 3  171.0882204  595161404251610 3    2417 8 3      C-13-H3C(O)CH3
  280740.4695  0.0803 -6.0542 3 1219.3059516  595161404645015 3    644916 3      C-13-H3C(O)CH3
  280750.0439  0.0468 -5.5817 3 1091.3847968  595161404604912 1    604813 1      C-13-H3C(O)CH3
  280757.6000  0.0771 -6.0541 3 1219.2672516  595161404645015 4    644916 4      C-13-H3C(O)CH3
  280759.3257  0.0131 -5.7677 3  307.4492552  595161404341817 1    331914 1      C-13-H3C(O)CH3
  280777.9200  0.1576 -6.4420 3 1464.9142572  595161404715220 4    715121 4      C-13-H3C(O)CH3
  280788.4674  0.0967 -6.0542 3 1219.3498516  595161404645014 4    644915 4      C-13-H3C(O)CH3
  280798.2280  0.0389 -5.5816 3 1091.3768968  595161404604912 0    604812 0      C-13-H3C(O)CH3
  280798.2280  0.0389 -5.5816 3 1091.3768968  595161404604911 0    604813 0      C-13-H3C(O)CH3
  280805.8654  0.0867 -6.0541 3 1219.3110516  595161404645014 3    644915 3      C-13-H3C(O)CH3
  280808.8944  0.0058 -6.7672 3   90.8565156  59516140419 910 3    19 613 3      C-13-H3C(O)CH3
  280812.2644  0.0081 -6.7672 3   90.8565156  59516140419 910 4    19 613 4      C-13-H3C(O)CH3
  280814.4683  0.0356 -5.4479 3  945.1710888  5951614045548 7 2    5547 8 2      C-13-H3C(O)CH3
  280825.3058  0.0183 -5.7260 3  292.0995504  5951614043126 6 1    3027 3 1      C-13-H3C(O)CH3
  280830.6899  0.0148 -6.0673 3  307.4199276  595161404341817 4    331914 4      C-13-H3C(O)CH3
  280839.8216  0.0161 -6.0674 3  307.4196276  595161404341817 3    331914 3      C-13-H3C(O)CH3
  280847.3675  0.1724 -6.4419 3 1464.9645572  595161404715219 3    715120 3      C-13-H3C(O)CH3
  280850.7426  0.0473 -5.7488 3  945.1941444  5951614045548 7 4    5547 8 4      C-13-H3C(O)CH3
  280863.4194  0.0405 -5.5371 3  788.0288792  5951614044947 2 1    4946 3 1      C-13-H3C(O)CH3
  280876.9990  0.0085 -6.0821 3  328.1728284  595161404351817 3    342114 3      C-13-H3C(O)CH3
  280879.6702  0.0082 -6.0821 3  328.1727284  595161404351817 4    342114 4      C-13-H3C(O)CH3
  280884.9979  0.0421 -5.5368 3  787.9927792  5951614044947 3 1    4946 4 1      C-13-H3C(O)CH3
  280893.9025  0.1549 -6.4418 3 1464.9576572  595161404715220 3    715121 3      C-13-H3C(O)CH3
  280895.2495  0.0410 -5.7489 3  945.1959444  5951614045548 7 3    5547 8 3      C-13-H3C(O)CH3
  280903.3985  0.0597 -5.8379 3  788.0241396  5951614044947 3 3    4946 3 3      C-13-H3C(O)CH3
  280904.0438  0.0668 -5.7528 3 1219.2683A32  595161404645015 2    644916 2      C-13-H3C(O)CH3
  280922.6330  0.0048 -4.6676 3  489.1808744 -595161404461433 0    461334 0      C-13-H3C(O)CH3
  280922.6330  0.0048 -4.6676 3  489.1808744 -595161404461333 0    461234 0      C-13-H3C(O)CH3
  280922.7249  0.0048 -4.8777 3  489.1808744  595161404461333 0    461334 0      C-13-H3C(O)CH3
  280922.7249  0.0048 -4.8777 3  489.1808744  595161404461433 0    461234 0      C-13-H3C(O)CH3
  280922.9749  0.0453 -5.5369 3  788.0058792  5951614044947 2 2    4946 3 2      C-13-H3C(O)CH3
  280924.4480  0.0633 -5.8376 3  787.9881396  5951614044947 3 4    4946 4 4      C-13-H3C(O)CH3
  280934.2025  0.0061 -5.3882 3  489.1508744  595161404461433 2    461234 2      C-13-H3C(O)CH3
  280934.2025  0.0061 -5.3882 3  489.1508744  595161404461333 2    461334 2      C-13-H3C(O)CH3
  280934.2196  0.0061 -4.5133 3  489.1508744 -595161404461333 2    461234 2      C-13-H3C(O)CH3
  280934.2196  0.0061 -4.5133 3  489.1508744 -595161404461433 2    461334 2      C-13-H3C(O)CH3
  280936.0592  0.0062 -4.8373 3  489.1516744 -595161404461333 1    461234 1      C-13-H3C(O)CH3
  280936.0592  0.0062 -4.8373 3  489.1516744 -595161404461433 1    461334 1      C-13-H3C(O)CH3
  280936.1729  0.0062 -4.6943 3  489.1516744  595161404461333 1    461334 1      C-13-H3C(O)CH3
  280936.1729  0.0062 -4.6943 3  489.1516744  595161404461433 1    461234 1      C-13-H3C(O)CH3
  280942.3648  0.0318 -5.4477 3  945.1490888  5951614045548 8 0    5547 8 0      C-13-H3C(O)CH3
  280942.3648  0.0318 -5.4477 3  945.1490888  5951614045548 7 0    5547 9 0      C-13-H3C(O)CH3
  280947.5647  0.0065 -4.9244 3  489.1215372  595161404461333 4    461334 4      C-13-H3C(O)CH3
  280947.5647  0.0065 -5.2610 3  489.1215372  595161404461333 4    461234 4      C-13-H3C(O)CH3
  280947.5647  0.0065 -4.9244 3  489.1215372  595161404461433 4    461234 4      C-13-H3C(O)CH3
  280947.5647  0.0065 -5.2610 3  489.1215372  595161404461433 4    461334 4      C-13-H3C(O)CH3
  280947.6772  0.0065 -4.9107 3  489.1216372  595161404461333 3    461334 3      C-13-H3C(O)CH3
  280947.6772  0.0065 -5.2923 3  489.1216372  595161404461333 3    461234 3      C-13-H3C(O)CH3
  280947.6772  0.0065 -4.9107 3  489.1216372  595161404461433 3    461234 3      C-13-H3C(O)CH3
  280947.6772  0.0065 -5.2923 3  489.1216372  595161404461433 3    461334 3      C-13-H3C(O)CH3
  280948.1861  0.0349 -5.4477 3  945.1597888  5951614045548 8 2    5547 9 2      C-13-H3C(O)CH3
  280948.4119  0.3044 -6.8470 3 1698.0420620  595161404775424 4    775325 4      C-13-H3C(O)CH3
  280950.2219  0.0089 -5.7788 3  328.1931568  595161404351817 2    342114 2      C-13-H3C(O)CH3
  280951.9628  0.0788 -5.7527 3 1219.3122A32  595161404645014 2    644915 2      C-13-H3C(O)CH3
  280956.2241  0.0718 -5.7527 3 1219.3047A32  595161404645014 1    644915 1      C-13-H3C(O)CH3
  280963.0535  0.1697 -6.4418 3 1465.0080572  595161404715219 4    715120 4      C-13-H3C(O)CH3
  280967.1572  0.0185 -7.0191 3  131.9750172  5951614042118 4 3    2115 7 3      C-13-H3C(O)CH3
  280973.4650  0.0676 -5.7526 3 1219.2659A32  595161404645015 1    644916 1      C-13-H3C(O)CH3
  280979.6374  0.0356 -5.4476 3  945.1722888  5951614045548 8 1    5547 9 1      C-13-H3C(O)CH3
  280984.7287  0.0438 -5.7486 3  945.1827444  5951614045548 8 3    5547 9 3      C-13-H3C(O)CH3
  280993.3359  0.0087 -5.7806 3  328.1971568  595161404351817 1    342114 1      C-13-H3C(O)CH3
  280995.7915  0.0104 -5.7646 3  307.4635552  595161404341817 0    331914 0      C-13-H3C(O)CH3
  281002.6674  0.1577 -6.1404 3 1464.9190B44  595161404715220 1    715121 1      C-13-H3C(O)CH3
  281022.6308  0.0023 -3.7826 3   61.6975248 -5951614041512 3 0    1411 4 0      C-13-H3C(O)CH3
  281023.6470  0.0148 -6.5798 3  132.0266344  5951614042118 3 1    2115 6 1      C-13-H3C(O)CH3
  281023.7071  0.0325 -5.4476 3  945.1740888  5951614045548 7 1    5547 8 1      C-13-H3C(O)CH3
  281026.5788  0.0060 -6.4622 3   90.8263312  59516140419 910 2    19 613 2      C-13-H3C(O)CH3
  281029.6429  0.0439 -5.7487 3  945.1845444  5951614045548 8 4    5547 9 4      C-13-H3C(O)CH3
  281041.4832  0.2722 -6.8469 3 1698.0759620  595161404775424 3    775325 3      C-13-H3C(O)CH3
  281046.7700  0.0085 -5.3522 3  171.0847408  595161404251610 1    2417 8 1      C-13-H3C(O)CH3
  281053.0834  0.0024 -6.0299 3  130.6093220 -59516140427 225 3    26 324 3      C-13-H3C(O)CH3
  281053.0834  0.0023 -4.4936 3  130.6093220 -59516140427 325 4    26 224 4      C-13-H3C(O)CH3
  281053.0834  0.0024 -6.0299 3  130.6093220 -59516140427 325 3    26 224 3      C-13-H3C(O)CH3
  281053.0834  0.0023 -3.8887 3  130.6093220 -59516140427 225 4    26 224 4      C-13-H3C(O)CH3
  281053.0881  0.0024 -3.7949 3  130.6093220  59516140427 325 3    26 324 3      C-13-H3C(O)CH3
  281053.0881  0.0024 -3.7949 3  130.6093220  59516140427 225 3    26 224 3      C-13-H3C(O)CH3
  281053.1182  0.0023 -3.8887 3  130.6093220  59516140427 325 4    26 324 4      C-13-H3C(O)CH3
  281053.1182  0.0023 -4.4936 3  130.6093220  59516140427 225 4    26 324 4      C-13-H3C(O)CH3
  281055.6971  0.1658 -6.1403 3 1464.9226B44  595161404715220 2    715121 2      C-13-H3C(O)CH3
  281057.3524  0.0178 -5.7236 3  292.1124504  5951614043126 5 2    3027 3 2      C-13-H3C(O)CH3
  281066.9752  0.0189 -5.7244 3  292.0938504  5951614043126 5 1    3027 4 1      C-13-H3C(O)CH3
  281067.4965  0.0086 -5.7784 3  328.2174568  595161404351817 0    342114 0      C-13-H3C(O)CH3
  281071.8048  0.1835 -6.1404 3 1464.9694B44  595161404715219 1    715120 1      C-13-H3C(O)CH3
  281075.4933  0.0187 -5.7246 3  292.1021504  5951614043126 6 2    3027 4 2      C-13-H3C(O)CH3
  281076.3964  0.0128 -5.7631 3  307.4340552  595161404341817 2    331914 2      C-13-H3C(O)CH3
  281085.4817  0.0024 -3.4927 3  130.5642440  59516140427 225 1    26 324 1      C-13-H3C(O)CH3
  281085.4817  0.0024 -3.4927 3  130.5642440  59516140427 325 1    26 224 1      C-13-H3C(O)CH3
  281085.5891  0.0024 -5.7153 3  130.5637440 -59516140427 325 2    26 324 2      C-13-H3C(O)CH3
  281085.5891  0.0024 -5.7153 3  130.5637440 -59516140427 225 2    26 224 2      C-13-H3C(O)CH3
  281085.5891  0.0024 -5.9609 3  130.5642440 -59516140427 325 1    26 324 1      C-13-H3C(O)CH3
  281085.5891  0.0024 -5.9609 3  130.5642440 -59516140427 225 1    26 224 1      C-13-H3C(O)CH3
  281085.6378  0.0024 -3.4938 3  130.5637440  59516140427 325 2    26 224 2      C-13-H3C(O)CH3
  281085.6378  0.0024 -3.4938 3  130.5637440  59516140427 225 2    26 324 2      C-13-H3C(O)CH3
  281088.4786  0.0059 -6.4630 3   90.8275312  59516140419 910 1    19 613 1      C-13-H3C(O)CH3
  281097.2796  0.3031 -6.8468 3 1698.0875620  595161404775423 3    775324 3      C-13-H3C(O)CH3
  281104.6669  0.3552 -6.5457 3 1698.0558C40  595161404775424 1    775325 1      C-13-H3C(O)CH3
  281117.9348  0.0021 -3.6555 3  130.5186440 -59516140427 325 0    26 224 0      C-13-H3C(O)CH3
  281117.9348  0.0021 -3.9924 3  130.5186440 -59516140427 225 0    26 224 0      C-13-H3C(O)CH3
  281117.9348  0.0021 -3.9924 3  130.5186440 -59516140427 325 0    26 324 0      C-13-H3C(O)CH3
  281117.9348  0.0021 -3.6555 3  130.5186440 -59516140427 225 0    26 324 0      C-13-H3C(O)CH3
  281119.2966  0.0642 -5.7523 3 1219.2671A32  595161404645014 0    644915 0      C-13-H3C(O)CH3
  281119.2966  0.0642 -5.7523 3 1219.2671A32  595161404645015 0    644916 0      C-13-H3C(O)CH3
  281134.1195  0.0601 -5.8377 3  788.0592396  5951614044947 2 4    4946 3 4      C-13-H3C(O)CH3
  281154.5685  0.0621 -5.8374 3  788.0231396  5951614044947 2 3    4946 4 3      C-13-H3C(O)CH3
  281155.3236  0.0062 -6.7555 3  100.1807312  5951614041914 5 0    19 910 0      C-13-H3C(O)CH3
  281164.0359  0.2177 -6.6371 3 1579.1698596  595161404745322 4    745223 4      C-13-H3C(O)CH3
  281171.3629  0.1728 -6.1402 3 1464.9660B44  595161404715219 2    715120 2      C-13-H3C(O)CH3
  281177.3013  0.0141 -6.5750 3  131.9582344  5951614042118 4 1    2115 7 1      C-13-H3C(O)CH3
  281186.9428  0.0194 -6.0250 3  292.0564252  5951614043126 5 3    3027 3 3      C-13-H3C(O)CH3
  281190.2543  0.2880 -6.8467 3 1698.1214620  595161404775423 4    775324 4      C-13-H3C(O)CH3
  281205.7896  0.0200 -6.0260 3  292.0462252  5951614043126 6 4    3027 4 4      C-13-H3C(O)CH3
  281248.1507  0.0525 -5.5311 3  472.8073664  595161404412714 2    412417 2      C-13-H3C(O)CH3
  281253.1179  0.3871 -6.5455 3 1698.1013C40  595161404775423 1    775324 1      C-13-H3C(O)CH3
  281272.0087  0.2312 -6.6370 3 1579.2193596  595161404745321 3    745222 3      C-13-H3C(O)CH3
  281276.5084  0.2005 -6.6370 3 1579.2091596  595161404745322 3    745223 3      C-13-H3C(O)CH3
  281276.7494  0.3509 -6.5453 3 1698.0502C40  595161404775424 2    775325 2      C-13-H3C(O)CH3
  281280.1731  0.1922 -6.1399 3 1464.9275B44  595161404715219 0    715120 0      C-13-H3C(O)CH3
  281280.1885  0.1922 -6.1399 3 1464.9275B44  595161404715220 0    715121 0      C-13-H3C(O)CH3
  281301.9305  0.0095 -6.9719 3  100.2036312  5951614041914 5 1    19 910 1      C-13-H3C(O)CH3
  281304.2937  0.0057 -6.4588 3   90.7974312  59516140419 910 0    19 613 0      C-13-H3C(O)CH3
  281312.0540  0.0118 -6.1861 3  465.3394680  595161404422122 1    412219 1      C-13-H3C(O)CH3
  281315.4942  0.0141 -6.5885 3  131.9673344  5951614042118 4 2    2115 7 2      C-13-H3C(O)CH3
  281346.9251  0.0102 -6.1851 3  465.3614680  595161404422122 0    412219 0      C-13-H3C(O)CH3
  281360.4804  0.2370 -6.3357 3 1579.1789B92  595161404745322 1    745223 1      C-13-H3C(O)CH3
  281364.8484  0.0142 -6.4857 3  465.3115340  595161404422122 4    412219 4      C-13-H3C(O)CH3
  281366.3677  0.0143 -6.4857 3  465.3115340  595161404422122 3    412219 3      C-13-H3C(O)CH3
  281369.5827  0.3491 -6.5452 3 1698.0841C40  595161404775423 2    775324 2      C-13-H3C(O)CH3
  281375.9489  0.0096 -6.9575 3  100.2003312  5951614041914 5 2    19 910 2      C-13-H3C(O)CH3
  281378.2164  0.0078 -6.7660 3   90.8565156  595161404191010 4    19 713 4      C-13-H3C(O)CH3
  281378.8811  0.0057 -6.7660 3   90.8565156  595161404191010 3    19 713 3      C-13-H3C(O)CH3
  281384.2898  0.2199 -6.6369 3 1579.2587596  595161404745321 4    745222 4      C-13-H3C(O)CH3
  281391.3395  0.0495 -5.8165 3  472.7847332  595161404412714 3    412417 3      C-13-H3C(O)CH3
  281401.0633  0.0136 -6.1837 3  465.3336680  595161404422122 2    412219 2      C-13-H3C(O)CH3
  281424.6800  0.0139 -6.5932 3  132.0248344  5951614042118 3 2    2115 6 2      C-13-H3C(O)CH3
  281428.4356  0.0221 -6.0234 3  292.0505252  5951614043126 5 4    3027 3 4      C-13-H3C(O)CH3
  281432.4329  0.0107 -5.6972 3  224.2075236  595161404291614 3    281711 3      C-13-H3C(O)CH3
  281432.5809  0.4216 -6.5450 3 1698.0641C40  595161404775423 0    775324 0      C-13-H3C(O)CH3
  281433.4078  0.4216 -6.5450 3 1698.0641C40  595161404775424 0    775325 0      C-13-H3C(O)CH3
  281440.0312  0.0115 -5.6970 3  224.2072236  595161404291614 4    281711 4      C-13-H3C(O)CH3
  281446.3320  0.0189 -6.0244 3  292.0405252  5951614043126 6 3    3027 4 3      C-13-H3C(O)CH3
  281468.0979  0.2719 -6.3356 3 1579.2285B92  595161404745321 1    745222 1      C-13-H3C(O)CH3
  281473.8876  0.2425 -6.3355 3 1579.1790B92  595161404745322 2    745223 2      C-13-H3C(O)CH3
  281480.4101  0.0416 -5.3968 3 1106.3166A48  595161404653035 1    652936 1      C-13-H3C(O)CH3
  281480.4127  0.0416 -5.3968 3 1106.3166A48  595161404653135 1    653036 1      C-13-H3C(O)CH3
  281482.0190  0.0405 -5.3968 3 1106.3009A48  595161404653035 0    652936 0      C-13-H3C(O)CH3
  281482.0210  0.0405 -5.3968 3 1106.3009A48  595161404653135 0    653036 0      C-13-H3C(O)CH3
  281483.7118  0.0474 -5.6978 3 1106.3339524  595161404653035 3    652936 3      C-13-H3C(O)CH3
  281483.7146  0.0474 -5.6978 3 1106.3339524  595161404653135 3    653036 3      C-13-H3C(O)CH3
  281483.7610  0.0475 -5.6978 3 1106.3340524  595161404653035 4    652936 4      C-13-H3C(O)CH3
  281483.7638  0.0475 -5.6978 3 1106.3340524  595161404653135 4    653036 4      C-13-H3C(O)CH3
  281485.2827  0.0465 -5.3968 3 1106.3182A48  595161404653035 2    652936 2      C-13-H3C(O)CH3
  281485.2849  0.0465 -5.3968 3 1106.3182A48  595161404653135 2    653036 2      C-13-H3C(O)CH3
  281495.6274  0.0119 -4.9184 3  822.6243920  595161404572434 0    572335 0      C-13-H3C(O)CH3
  281495.6274  0.0119 -4.9184 3  822.6243920  595161404572334 0    572235 0      C-13-H3C(O)CH3
  281500.4115  0.0062 -4.7680 3  461.4346364  595161404451333 4    451134 4      C-13-H3C(O)CH3
  281500.4115  0.0062 -4.7680 3  461.4346364  595161404451233 4    451234 4      C-13-H3C(O)CH3
  281500.4115  0.0062 -5.8430 3  461.4346364  595161404451233 4    451134 4      C-13-H3C(O)CH3
  281500.4115  0.0062 -5.8430 3  461.4346364  595161404451333 4    451234 4      C-13-H3C(O)CH3
  281500.5735  0.0062 -5.0213 3  461.4347364  595161404451233 3    451134 3      C-13-H3C(O)CH3
  281500.5735  0.0062 -5.0471 3  461.4347364  595161404451333 3    451134 3      C-13-H3C(O)CH3
  281500.5735  0.0062 -5.0213 3  461.4347364  595161404451333 3    451234 3      C-13-H3C(O)CH3
  281500.5735  0.0062 -5.0471 3  461.4347364  595161404451233 3    451234 3      C-13-H3C(O)CH3
  281506.4619  0.0060 -4.8742 3  461.4636728  595161404451333 2    451134 2      C-13-H3C(O)CH3
  281506.4619  0.0060 -4.6265 3  461.4636728  595161404451333 2    451234 2      C-13-H3C(O)CH3
  281506.4619  0.0060 -4.6265 3  461.4636728  595161404451233 2    451134 2      C-13-H3C(O)CH3
  281506.4619  0.0060 -4.8742 3  461.4636728  595161404451233 2    451234 2      C-13-H3C(O)CH3
  281508.5078  0.0062 -4.6001 3  461.4643728 -595161404451333 1    451234 1      C-13-H3C(O)CH3
  281508.5078  0.0062 -4.7903 3  461.4643728 -595161404451233 1    451134 1      C-13-H3C(O)CH3
  281508.6019  0.0062 -4.6824 3  461.4643728  595161404451233 1    451234 1      C-13-H3C(O)CH3
  281508.6019  0.0062 -4.9255 3  461.4643728  595161404451333 1    451134 1      C-13-H3C(O)CH3
  281514.4332  0.0048 -4.4564 3  461.4932728 -595161404451333 0    451234 0      C-13-H3C(O)CH3
  281514.4332  0.0048 -4.4564 3  461.4932728 -595161404451233 0    451134 0      C-13-H3C(O)CH3
  281514.4889  0.0048 -5.6940 3  461.4932728  595161404451233 0    451234 0      C-13-H3C(O)CH3
  281514.4889  0.0048 -5.6940 3  461.4932728  595161404451333 0    451134 0      C-13-H3C(O)CH3
  281517.6003  0.0087 -5.3959 3  224.2228472  595161404291614 1    281711 1      C-13-H3C(O)CH3
  281519.8460  0.0149 -6.5542 3  132.0117344  5951614042118 3 0    2115 6 0      C-13-H3C(O)CH3
  281546.3565  0.0137 -4.9183 3  822.6230920  595161404572434 1    572335 1      C-13-H3C(O)CH3
  281546.3565  0.0137 -4.9183 3  822.6230920  595161404572334 1    572235 1      C-13-H3C(O)CH3
  281548.5679  0.0174 -4.9182 3  822.6231920  595161404572434 2    572335 2      C-13-H3C(O)CH3
  281548.5679  0.0174 -4.9182 3  822.6231920  595161404572334 2    572235 2      C-13-H3C(O)CH3
  281568.1980  0.0423 -5.6604 3  765.0528776  5951614044847 2 0    4846 2 0      C-13-H3C(O)CH3
  281568.1980  0.0423 -5.6604 3  765.0528776  5951614044847 1 0    4846 3 0      C-13-H3C(O)CH3
  281586.0978  0.2465 -6.3353 3 1579.2184B92  595161404745321 2    745222 2      C-13-H3C(O)CH3
  281599.0019  0.0135 -5.5182 3  171.0570204  595161404251610 4    2417 8 4      C-13-H3C(O)CH3
  281599.3807  0.0169 -5.2190 3  822.6218460  595161404572434 3    572335 3      C-13-H3C(O)CH3
  281599.3807  0.0169 -5.2190 3  822.6218460  595161404572334 3    572235 3      C-13-H3C(O)CH3
  281599.5138  0.0170 -5.2190 3  822.6218460  595161404572434 4    572335 4      C-13-H3C(O)CH3
  281599.5138  0.0170 -5.2190 3  822.6218460  595161404572334 4    572235 4      C-13-H3C(O)CH3
  281615.0515  0.0058 -6.4609 3   90.8263312  595161404191010 2    19 713 2      C-13-H3C(O)CH3
  281643.5749  0.0289 -6.8965 3  205.8511220  5951614042719 9 4    2620 6 4      C-13-H3C(O)CH3
  281660.0841  0.0529 -5.6600 3  765.0442776  5951614044847 2 2    4846 3 2      C-13-H3C(O)CH3
  281662.7433  0.0057 -6.4618 3   90.8275312  595161404191010 1    19 713 1      C-13-H3C(O)CH3
  281670.1417  0.2903 -6.3351 3 1579.1882B92  595161404745321 0    745222 0      C-13-H3C(O)CH3
  281670.2621  0.2903 -6.3351 3 1579.1882B92  595161404745322 0    745223 0      C-13-H3C(O)CH3
  281672.0465  0.0591 -5.8545 3  472.7850332  595161404412714 4    412417 4      C-13-H3C(O)CH3
  281792.2683  0.0481 -5.6601 3  765.1127776  5951614044847 1 1    4846 2 1      C-13-H3C(O)CH3
  281805.2729  0.0023 -4.2901 3  102.7039164 -595161404201010 3    1911 9 3      C-13-H3C(O)CH3
  281812.1607  0.0084 -5.3895 3  224.2078472  595161404291614 2    281711 2      C-13-H3C(O)CH3
  281815.1787  0.0131 -6.3503 3  531.8233728  595161404452124 1    442421 1      C-13-H3C(O)CH3
  281822.3258  0.0025 -4.2900 3  102.7036164 -595161404201010 4    1911 9 4      C-13-H3C(O)CH3
  281830.1524  0.0153 -6.6500 3  531.8009364  595161404452124 3    442421 3      C-13-H3C(O)CH3
  281830.2774  0.0154 -6.6500 3  531.8008364  595161404452124 4    442421 4      C-13-H3C(O)CH3
  281839.3257  0.0495 -5.6598 3  765.0712776  5951614044847 2 1    4846 3 1      C-13-H3C(O)CH3
  281845.7310  0.0110 -6.3497 3  531.8421728  595161404452124 0    442421 0      C-13-H3C(O)CH3
  281858.0276  0.0024 -3.9904 3  102.6831328 -595161404201010 2    1911 9 2      C-13-H3C(O)CH3
  281861.0952  0.0147 -6.3483 3  531.8197728  595161404452124 2    442421 2      C-13-H3C(O)CH3
  281884.9838  0.0699 -5.9608 3  765.1040388  5951614044847 2 3    4846 3 3      C-13-H3C(O)CH3
  281889.4172  0.0075 -5.3895 3  224.2234472  595161404291614 0    281711 0      C-13-H3C(O)CH3
  281895.1593  0.0561 -5.6598 3  765.0898776  5951614044847 1 2    4846 2 2      C-13-H3C(O)CH3
  281898.2274  0.0023 -3.9894 3  102.6863328 -595161404201010 1    1911 9 1      C-13-H3C(O)CH3
  281898.8840  0.0055 -6.4575 3   90.7974312  595161404191010 0    19 713 0      C-13-H3C(O)CH3
  281931.4165  0.0953 -6.1167 3 1340.5437572  595161404713536 4    713437 4      C-13-H3C(O)CH3
  281931.4408  0.0953 -6.1167 3 1340.5436572  595161404713536 3    713437 3      C-13-H3C(O)CH3
  281931.5491  0.0953 -6.1167 3 1340.5437572  595161404713636 4    713537 4      C-13-H3C(O)CH3
  281931.5738  0.0953 -6.1167 3 1340.5436572  595161404713636 3    713537 3      C-13-H3C(O)CH3
  281931.6363  0.0742 -5.9605 3  765.0625388  5951614044847 2 4    4846 3 4      C-13-H3C(O)CH3
  281942.6717  0.0022 -3.9907 3  102.6657328 -595161404201010 0    1911 9 0      C-13-H3C(O)CH3
  281955.6184  0.0944 -5.8156 3 1340.5255B44  595161404713536 1    713437 1      C-13-H3C(O)CH3
  281955.7471  0.0945 -5.8156 3 1340.5255B44  595161404713636 1    713537 1      C-13-H3C(O)CH3
  281961.4245  0.0959 -5.8156 3 1340.5283B44  595161404713536 2    713437 2      C-13-H3C(O)CH3
  281961.5367  0.0959 -5.8156 3 1340.5283B44  595161404713636 2    713537 2      C-13-H3C(O)CH3
  281985.5921  0.0947 -5.8155 3 1340.5102B44  595161404713536 0    713437 0      C-13-H3C(O)CH3
  281985.7006  0.0947 -5.8155 3 1340.5102B44  595161404713636 0    713537 0      C-13-H3C(O)CH3
  282014.8257  0.0060 -5.6001 3  434.3343356  595161404441133 4    441034 4      C-13-H3C(O)CH3
  282014.8257  0.0060 -4.7701 3  434.3343356  595161404441133 4    441134 4      C-13-H3C(O)CH3
  282014.8257  0.0060 -5.6001 3  434.3343356  595161404441233 4    441134 4      C-13-H3C(O)CH3
  282014.8257  0.0060 -4.7701 3  434.3343356  595161404441233 4    441034 4      C-13-H3C(O)CH3
  282015.0360  0.0060 -6.7034 3  434.3343356  595161404441233 3    441034 3      C-13-H3C(O)CH3
  282015.0360  0.0060 -4.7147 3  434.3343356  595161404441233 3    441134 3      C-13-H3C(O)CH3
  282015.0360  0.0060 -4.7147 3  434.3343356  595161404441133 3    441034 3      C-13-H3C(O)CH3
  282015.0360  0.0060 -6.7034 3  434.3343356  595161404441133 3    441134 3      C-13-H3C(O)CH3
  282027.5054  0.2780 -6.9220 3 1772.3975652  595161404814338 4    814239 4      C-13-H3C(O)CH3
  282027.5744  0.2780 -6.9220 3 1772.3975652  595161404814338 3    814239 3      C-13-H3C(O)CH3
  282044.2039  0.0060 -5.0855 3  434.3618712  595161404441233 2    441034 2      C-13-H3C(O)CH3
  282044.2039  0.0060 -5.0855 3  434.3618712  595161404441133 2    441134 2      C-13-H3C(O)CH3
  282044.2124  0.0060 -4.5119 3  434.3618712 -595161404441133 2    441034 2      C-13-H3C(O)CH3
  282044.2124  0.0060 -4.5119 3  434.3618712 -595161404441233 2    441134 2      C-13-H3C(O)CH3
  282045.3105  0.2756 -6.9219 3 1772.3976652  595161404814438 4    814339 4      C-13-H3C(O)CH3
  282045.3821  0.2755 -6.9219 3 1772.3976652  595161404814438 3    814339 3      C-13-H3C(O)CH3
  282046.4543  0.0061 -5.0048 3  434.3626712  595161404441133 1    441034 1      C-13-H3C(O)CH3
  282046.4543  0.0061 -5.0048 3  434.3626712  595161404441233 1    441134 1      C-13-H3C(O)CH3
  282046.4543  0.0061 -4.5362 3  434.3626712  595161404441233 1    441034 1      C-13-H3C(O)CH3
  282046.4543  0.0061 -4.5362 3  434.3626712  595161404441133 1    441134 1      C-13-H3C(O)CH3
  282047.8903  0.2769 -6.6209 3 1772.3947D04  595161404814338 1    814239 1      C-13-H3C(O)CH3
  282059.3327  0.2812 -6.6209 3 1772.3980D04  595161404814338 2    814239 2      C-13-H3C(O)CH3
  282066.0618  0.2775 -6.6208 3 1772.3947D04  595161404814438 1    814339 1      C-13-H3C(O)CH3
  282075.4724  0.0049 -4.6996 3  434.3901712 -595161404441133 0    441034 0      C-13-H3C(O)CH3
  282075.4724  0.0049 -4.6996 3  434.3901712 -595161404441233 0    441134 0      C-13-H3C(O)CH3
  282075.5850  0.0049 -4.7209 3  434.3901712  595161404441133 0    441134 0      C-13-H3C(O)CH3
  282075.5850  0.0049 -4.7209 3  434.3901712  595161404441233 0    441034 0      C-13-H3C(O)CH3
  282075.6620  0.2790 -6.6208 3 1772.3980D04  595161404814438 2    814339 2      C-13-H3C(O)CH3
  282079.5870  0.2780 -6.6208 3 1772.3952D04  595161404814338 0    814239 0      C-13-H3C(O)CH3
  282096.2531  0.2788 -6.6207 3 1772.3952D04  595161404814438 0    814339 0      C-13-H3C(O)CH3
  282113.3000  0.0130 -6.3493 3  531.8134728  595161404452224 1    442321 1      C-13-H3C(O)CH3
  282122.0030  0.0708 -5.9606 3  765.1496388  5951614044847 1 4    4846 2 4      C-13-H3C(O)CH3
  282136.2081  0.0111 -6.3488 3  531.8324728  595161404452224 0    442321 0      C-13-H3C(O)CH3
  282142.4631  0.0161 -6.6489 3  531.7904364  595161404452224 4    442321 4      C-13-H3C(O)CH3
  282142.9808  0.0160 -6.6489 3  531.7905364  595161404452224 3    442321 3      C-13-H3C(O)CH3
  282147.4591  0.0028 -3.7717 3  132.7425228  59516140428 127 3    27 226 3      C-13-H3C(O)CH3
  282147.4591  0.0028 -3.7717 3  132.7425228  59516140428 227 3    27 126 3      C-13-H3C(O)CH3
  282147.4808  0.0028 -5.1558 3  132.7425228  59516140428 227 4    27 126 4      C-13-H3C(O)CH3
  282147.4808  0.0028 -5.1558 3  132.7425228  59516140428 127 4    27 226 4      C-13-H3C(O)CH3
  282147.5143  0.0028 -5.1842 3  132.7425228 -59516140428 127 3    27 126 3      C-13-H3C(O)CH3
  282147.5143  0.0028 -5.1842 3  132.7425228 -59516140428 227 3    27 226 3      C-13-H3C(O)CH3
  282147.5143  0.0028 -3.7728 3  132.7425228 -59516140428 227 4    27 226 4      C-13-H3C(O)CH3
  282147.5143  0.0028 -3.7728 3  132.7425228 -59516140428 127 4    27 126 4      C-13-H3C(O)CH3
  282148.1958  0.0354 -5.4462 3  919.2748872  5951614045448 7 2    5447 7 2      C-13-H3C(O)CH3
  282160.6657  0.0163 -5.8279 3  314.9963552  595161404341915 2    332212 2      C-13-H3C(O)CH3
  282165.8095  0.0153 -6.3473 3  531.8095728  595161404452224 2    442321 2      C-13-H3C(O)CH3
  282167.8847  0.0029 -4.2400 3  132.6866456  59516140428 127 1    27 226 1      C-13-H3C(O)CH3
  282167.8847  0.0029 -3.5316 3  132.6866456  59516140428 227 1    27 226 1      C-13-H3C(O)CH3
  282167.9396  0.0029 -4.2400 3  132.6866456 -59516140428 227 1    27 126 1      C-13-H3C(O)CH3
  282167.9396  0.0029 -3.5316 3  132.6866456 -59516140428 127 1    27 126 1      C-13-H3C(O)CH3
  282167.9396  0.0029 -3.4540 3  132.6862456 -59516140428 127 2    27 126 2      C-13-H3C(O)CH3
  282167.9991  0.0029 -3.4540 3  132.6862456  59516140428 227 2    27 226 2      C-13-H3C(O)CH3
  282168.1005  0.0742 -5.9603 3  765.1081388  5951614044847 1 3    4846 2 3      C-13-H3C(O)CH3
  282188.3670  0.0026 -3.4592 3  132.6304456  59516140428 227 0    27 226 0      C-13-H3C(O)CH3
  282188.3670  0.0026 -3.5341 3  132.6304456  59516140428 127 0    27 126 0      C-13-H3C(O)CH3
  282188.4016  0.0026 -4.2265 3  132.6304456 -59516140428 127 0    27 226 0      C-13-H3C(O)CH3
  282188.4016  0.0026 -5.3613 3  132.6304456 -59516140428 227 0    27 126 0      C-13-H3C(O)CH3
  282222.8197  0.0476 -5.7470 3  919.2968436  5951614045448 7 4    5447 8 4      C-13-H3C(O)CH3
  282250.1851  0.0322 -5.4460 3  919.2578872  5951614045448 6 0    5447 7 0      C-13-H3C(O)CH3
  282250.1851  0.0322 -5.4460 3  919.2578872  5951614045448 7 0    5447 8 0      C-13-H3C(O)CH3
  282257.7261  0.0415 -5.7471 3  919.3045436  5951614045448 6 3    5447 7 3      C-13-H3C(O)CH3
  282276.0738  0.0648 -5.8554 3 1063.0452476  595161404594910 4    594811 4      C-13-H3C(O)CH3
  282300.8706  0.0217 -5.9859 3  335.3818568  595161404352015 2    342312 2      C-13-H3C(O)CH3
  282306.8315  0.0342 -5.4460 3  919.2708872  5951614045448 6 2    5447 8 2      C-13-H3C(O)CH3
  282308.4311  0.0186 -6.2282 3  205.8568440  5951614042719 9 1    2620 6 1      C-13-H3C(O)CH3
  282323.9344  0.0186 -6.1277 3  314.9726276  595161404341915 4    332212 4      C-13-H3C(O)CH3
  282325.7810  0.0351 -5.4459 3  919.2798872  5951614045448 7 1    5447 8 1      C-13-H3C(O)CH3
  282327.6591  0.0561 -5.8554 3 1063.0265476  595161404594910 3    594811 3      C-13-H3C(O)CH3
  282334.1221  0.0552 -5.8553 3 1063.0140476  595161404594911 3    594812 3      C-13-H3C(O)CH3
  282341.5138  0.0494 -5.5542 3 1063.0160952  595161404594910 2    594811 2      C-13-H3C(O)CH3
  282342.0775  0.0202 -6.1317 3  314.9718276  595161404341915 3    332212 3      C-13-H3C(O)CH3
  282349.2495  0.0103 -6.0236 3  311.4613276  595161404341816 3    332113 3      C-13-H3C(O)CH3
  282349.7275  0.0094 -6.0234 3  311.4613276  595161404341816 4    332113 4      C-13-H3C(O)CH3
  282357.8613  0.0099 -5.7207 3  311.4820552  595161404341816 2    332113 2      C-13-H3C(O)CH3
  282360.1428  0.0320 -5.4460 3  919.2876872  5951614045448 6 1    5447 7 1      C-13-H3C(O)CH3
  282381.9209  0.0438 -5.7468 3  919.2927436  5951614045448 7 3    5447 8 3      C-13-H3C(O)CH3
  282385.7932  0.0560 -5.8553 3 1062.9953476  595161404594911 4    594812 4      C-13-H3C(O)CH3
  282399.5694  0.0436 -5.5541 3 1062.9849952  595161404594911 2    594812 2      C-13-H3C(O)CH3
  282402.7257  0.0194 -6.2903 3  222.8455228  5951614042820 9 4    281712 4      C-13-H3C(O)CH3
  282403.3403  0.0070 -6.0014 3  216.3782228  595161404281811 4    281514 4      C-13-H3C(O)CH3
  282414.8699  0.0516 -5.9094 3  742.6254760  5951614044747 1 0    4746 2 0      C-13-H3C(O)CH3
  282414.8699  0.0516 -5.9094 3  742.6254760  5951614044747 0 0    4746 1 0      C-13-H3C(O)CH3
  282417.2593  0.0436 -5.7469 3  919.3004436  5951614045448 6 4    5447 7 4      C-13-H3C(O)CH3
  282420.2499  0.1017 -6.2112 3 1322.8091540  595161404675117 4    675018 4      C-13-H3C(O)CH3
  282425.6582  0.1104 -6.2112 3 1322.8555540  595161404675117 3    675018 3      C-13-H3C(O)CH3
  282431.9629  0.0067 -6.0009 3  216.3782228  595161404281811 3    281514 3      C-13-H3C(O)CH3
  282442.7396  0.0196 -5.9183 3  205.8645440  5951614042719 9 2    2620 6 2      C-13-H3C(O)CH3
  282445.2348  0.0073 -5.6987 3  216.3933456  595161404281811 1    281514 1      C-13-H3C(O)CH3
  282446.4740  0.0142 -5.8235 3  315.0166552  595161404341915 0    332212 0      C-13-H3C(O)CH3
  282448.1069  0.0474 -5.5540 3 1063.0101952  595161404594910 1    594811 1      C-13-H3C(O)CH3
  282452.2583  0.0146 -6.5520 3  131.9806344  5951614042118 4 0    2115 7 0      C-13-H3C(O)CH3
  282471.5345  0.0164 -6.0636 3  236.9317236  595161404292010 4    291713 4      C-13-H3C(O)CH3
  282491.7640  0.0249 -6.2811 3  335.3574284  595161404352015 4    342312 4      C-13-H3C(O)CH3
  282492.5623  0.0060 -5.0808 3  407.8217348  595161404431133 4    43 934 4      C-13-H3C(O)CH3
  282492.5623  0.0060 -4.9205 3  407.8217348  595161404431033 4    43 934 4      C-13-H3C(O)CH3
  282492.5623  0.0060 -4.9205 3  407.8217348  595161404431133 4    431034 4      C-13-H3C(O)CH3
  282492.5623  0.0060 -5.0808 3  407.8217348  595161404431033 4    431034 4      C-13-H3C(O)CH3
  282492.8162  0.0059 -6.5528 3  407.8217348  595161404431133 3    43 934 3      C-13-H3C(O)CH3
  282492.8162  0.0059 -4.6983 3  407.8217348  595161404431033 3    43 934 3      C-13-H3C(O)CH3
  282492.8162  0.0059 -4.6983 3  407.8217348  595161404431133 3    431034 3      C-13-H3C(O)CH3
  282492.8162  0.0059 -6.5528 3  407.8217348  595161404431033 3    431034 3      C-13-H3C(O)CH3
  282499.3994  0.0436 -5.5540 3 1062.9914952  595161404594911 1    594812 1      C-13-H3C(O)CH3
  282499.4397  0.1130 -6.2111 3 1322.8555540  595161404675116 3    675017 3      C-13-H3C(O)CH3
  282504.5161  0.1246 -6.2111 3 1322.9020540  595161404675116 4    675017 4      C-13-H3C(O)CH3
  282512.4306  0.0096 -5.7213 3  311.4837552  595161404341816 1    332113 1      C-13-H3C(O)CH3
  282512.5352  0.0106 -4.8642 3  788.5469904  595161404562234 0    562135 0      C-13-H3C(O)CH3
  282512.5352  0.0106 -4.8642 3  788.5469904  595161404562334 0    562235 0      C-13-H3C(O)CH3
  282512.7013  0.0369 -5.5539 3 1062.9809952  595161404594911 0    594811 0      C-13-H3C(O)CH3
  282512.7013  0.0369 -5.5539 3 1062.9809952  595161404594910 0    594812 0      C-13-H3C(O)CH3
  282521.7536  0.0277 -6.2928 3  335.3561284  595161404352015 3    342312 3      C-13-H3C(O)CH3
  282525.0083  0.0095 -5.7195 3  311.5043552  595161404341816 0    332113 0      C-13-H3C(O)CH3
  282546.4322  0.0071 -5.6984 3  216.3887456  595161404281811 2    281514 2      C-13-H3C(O)CH3
  282549.3731  0.0059 -4.4766 3  407.8467696 -595161404431133 2    431034 2      C-13-H3C(O)CH3
  282549.3731  0.0059 -4.4766 3  407.8467696 -595161404431033 2    43 934 2      C-13-H3C(O)CH3
  282549.4039  0.0059 -5.1384 3  407.8467696  595161404431133 2    43 934 2      C-13-H3C(O)CH3
  282549.4039  0.0059 -5.1384 3  407.8467696  595161404431033 2    431034 2      C-13-H3C(O)CH3
  282551.7032  0.0061 -4.3912 3  407.8474696  595161404431033 1    431034 1      C-13-H3C(O)CH3
  282551.7032  0.0061 -4.3912 3  407.8474696  595161404431133 1    43 934 1      C-13-H3C(O)CH3
  282560.4529  0.0148 -5.4759 3  267.6449488  5951614043024 7 0    2925 4 0      C-13-H3C(O)CH3
  282560.6497  0.0148 -5.4759 3  267.6449488  5951614043024 6 0    2925 5 0      C-13-H3C(O)CH3
  282564.2094  0.0633 -5.9090 3  742.6135760  5951614044747 1 2    4746 2 2      C-13-H3C(O)CH3
  282568.7500  0.0123 -4.8626 3  788.5422904  595161404562334 1    562235 1      C-13-H3C(O)CH3
  282568.7500  0.0123 -4.8625 3  788.5422904  595161404562234 1    562135 1      C-13-H3C(O)CH3
  282570.5187  0.0153 -4.8625 3  788.5421904  595161404562234 2    562135 2      C-13-H3C(O)CH3
  282570.5187  0.0153 -4.8625 3  788.5421904  595161404562334 2    562235 2      C-13-H3C(O)CH3
  282570.6315  0.0074 -5.6969 3  216.4039456  595161404281811 0    281514 0      C-13-H3C(O)CH3
  282608.1954  0.0051 -5.3629 3  407.8724696 -595161404431033 0    43 934 0      C-13-H3C(O)CH3
  282608.1954  0.0051 -4.9405 3  407.8724696 -595161404431133 0    431034 0      C-13-H3C(O)CH3
  282608.2089  0.0051 -4.4399 3  407.8724696  595161404431133 0    43 934 0      C-13-H3C(O)CH3
  282608.2089  0.0051 -4.5348 3  407.8724696  595161404431033 0    431034 0      C-13-H3C(O)CH3
  282610.5846  0.0163 -5.8245 3  314.9927552  595161404341915 1    332212 1      C-13-H3C(O)CH3
  282620.6797  0.0108 -5.7316 3  236.9500472  595161404292010 1    291713 1      C-13-H3C(O)CH3
  282622.6468  0.0962 -5.9097 3 1322.8160A80  595161404675117 2    675018 2      C-13-H3C(O)CH3
  282626.8215  0.0148 -5.1633 3  788.5373452  595161404562234 3    562135 3      C-13-H3C(O)CH3
  282626.8215  0.0148 -5.1641 3  788.5373452  595161404562334 3    562235 3      C-13-H3C(O)CH3
  282626.9562  0.0149 -5.1638 3  788.5373452  595161404562334 4    562235 4      C-13-H3C(O)CH3
  282626.9562  0.0149 -5.1633 3  788.5373452  595161404562234 4    562135 4      C-13-H3C(O)CH3
  282631.4908  0.0128 -5.8344 3   61.6953248  5951614041512 3 2    1411 4 2      C-13-H3C(O)CH3
  282650.3804  0.0572 -5.9092 3  742.6921760  5951614044747 0 1    4746 1 1      C-13-H3C(O)CH3
  282652.1489  0.0935 -5.9096 3 1322.8115A80  595161404675117 1    675018 1      C-13-H3C(O)CH3
  282657.3409  0.1035 -5.9097 3 1322.8579A80  595161404675116 1    675017 1      C-13-H3C(O)CH3
  282676.6105  0.0179 -5.9725 3  335.4017568  595161404352015 0    342312 0      C-13-H3C(O)CH3
  282695.4574  0.0113 -6.0053 3  236.9318236  595161404292010 3    291713 3      C-13-H3C(O)CH3
  282701.4678  0.1087 -5.9096 3 1322.8625A80  595161404675116 2    675017 2      C-13-H3C(O)CH3
  282725.9298  0.0589 -5.9088 3  742.6455760  5951614044747 1 1    4746 2 1      C-13-H3C(O)CH3
  282741.0795  0.1637 -6.5008 3 1549.5315612  595161404763937 4    763838 4      C-13-H3C(O)CH3
  282741.1407  0.1637 -6.5008 3 1549.5315612  595161404763937 3    763838 3      C-13-H3C(O)CH3
  282742.7760  0.1635 -6.5008 3 1549.5315612  595161404764037 4    763938 4      C-13-H3C(O)CH3
  282742.8391  0.1634 -6.5008 3 1549.5315612  595161404764037 3    763938 3      C-13-H3C(O)CH3
  282771.3434  0.1678 -6.1997 3 1549.5195C24  595161404763937 1    763838 1      C-13-H3C(O)CH3
  282773.0418  0.1679 -6.1997 3 1549.5195C24  595161404764037 1    763938 1      C-13-H3C(O)CH3
  282778.2576  0.1667 -6.1997 3 1549.5229C24  595161404763937 2    763838 2      C-13-H3C(O)CH3
  282779.7562  0.1666 -6.1997 3 1549.5229C24  595161404764037 2    763938 2      C-13-H3C(O)CH3
  282783.9462  0.0145 -5.4758 3  267.5845488  5951614043024 7 1    2925 5 1      C-13-H3C(O)CH3
  282799.0068  0.0125 -5.9589 3  222.8614456  5951614042820 9 1    281712 1      C-13-H3C(O)CH3
  282799.8771  0.0691 -5.9088 3  742.6699760  5951614044747 0 2    4746 1 2      C-13-H3C(O)CH3
  282800.9756  0.0811 -6.2097 3  742.6800380  5951614044747 1 3    4746 2 3      C-13-H3C(O)CH3
  282808.4100  0.1688 -6.1995 3 1549.5110C24  595161404763937 0    763838 0      C-13-H3C(O)CH3
  282809.9084  0.1690 -6.1995 3 1549.5110C24  595161404764037 0    763938 0      C-13-H3C(O)CH3
  282819.3145  0.0137 -5.4742 3  267.6136488  5951614043024 6 2    2925 4 2      C-13-H3C(O)CH3
  282835.7941  0.0126 -5.9233 3   61.6870248  5951614041512 3 1    1411 4 1      C-13-H3C(O)CH3
  282854.0609  0.1014 -5.9092 3 1322.8185A80  595161404675116 0    675017 0      C-13-H3C(O)CH3
  282854.0612  0.1014 -5.9092 3 1322.8185A80  595161404675117 0    675018 0      C-13-H3C(O)CH3
  282858.5549  0.0734 -6.0137 3 1188.8894508  595161404635014 3    634915 3      C-13-H3C(O)CH3
  282873.8022  0.0209 -5.9732 3  335.3769568  595161404352015 1    342312 1      C-13-H3C(O)CH3
  282875.4185  0.0913 -6.0137 3 1188.9322508  595161404635013 4    634914 4      C-13-H3C(O)CH3
  282876.3583  0.0869 -6.2094 3  742.6334380  5951614044747 1 4    4746 2 4      C-13-H3C(O)CH3
  282894.1467  0.0719 -6.0136 3 1188.8540508  595161404635014 4    634915 4      C-13-H3C(O)CH3
  282911.2078  0.0805 -6.0136 3 1188.8968508  595161404635013 3    634914 3      C-13-H3C(O)CH3
  282926.9748  0.0137 -5.6533 3  281.2131520  595161404321913 2    321616 2      C-13-H3C(O)CH3
  282928.0060  0.0146 -5.4745 3  267.5953488  5951614043024 6 1    2925 4 1      C-13-H3C(O)CH3
  282932.7711  0.0085 -5.0231 3  205.8703440  5951614042719 9 0    2620 6 0      C-13-H3C(O)CH3
  282935.2878  0.0061 -4.6803 3  381.8980340  595161404421033 4    42 834 4      C-13-H3C(O)CH3
  282935.2878  0.0061 -4.6803 3  381.8980340  59516140442 933 4    42 934 4      C-13-H3C(O)CH3
  282935.5757  0.0059 -4.7337 3  381.8980340  59516140442 933 3    42 834 3      C-13-H3C(O)CH3
  282935.5757  0.0059 -5.6128 3  381.8980340  595161404421033 3    42 834 3      C-13-H3C(O)CH3
  282935.5757  0.0059 -4.7337 3  381.8980340  595161404421033 3    42 934 3      C-13-H3C(O)CH3
  282935.5757  0.0059 -5.6128 3  381.8980340  59516140442 933 3    42 934 3      C-13-H3C(O)CH3
  282945.8993  0.0056 -4.3684 3   75.4765140 -5951614041711 7 4    1610 6 4      C-13-H3C(O)CH3
  282954.8965  0.0157 -6.1770 3  222.8457228  5951614042820 9 3    281712 3      C-13-H3C(O)CH3
  282955.5311  0.0146 -5.4746 3  267.5942488  5951614043024 7 2    2925 5 2      C-13-H3C(O)CH3
  282967.2646  0.3954 -6.9743 3 1958.6737D68  595161404854639 1    854540 1      C-13-H3C(O)CH3
  282968.4971  0.0340 -5.3263 3 1067.6468A32  595161404642935 0    642836 0      C-13-H3C(O)CH3
  282968.4977  0.0340 -5.3263 3 1067.6468A32  595161404643035 0    642936 0      C-13-H3C(O)CH3
  282974.2549  0.0354 -5.3263 3 1067.6614A32  595161404642935 1    642836 1      C-13-H3C(O)CH3
  282974.2558  0.0354 -5.3263 3 1067.6614A32  595161404643035 1    642936 1      C-13-H3C(O)CH3
  282978.8753  0.0406 -5.3263 3 1067.6627A32  595161404642935 2    642836 2      C-13-H3C(O)CH3
  282978.8760  0.0406 -5.3263 3 1067.6627A32  595161404643035 2    642936 2      C-13-H3C(O)CH3
  282984.6793  0.0414 -5.6273 3 1067.6774516  595161404642935 3    642836 3      C-13-H3C(O)CH3
  282984.6802  0.0414 -5.6273 3 1067.6774516  595161404643035 3    642936 3      C-13-H3C(O)CH3
  282984.7438  0.0415 -5.6273 3 1067.6774516  595161404642935 4    642836 4      C-13-H3C(O)CH3
  282984.7447  0.0415 -5.6273 3 1067.6774516  595161404643035 4    642936 4      C-13-H3C(O)CH3
  282986.5935  0.4164 -6.9743 3 1958.6763D68  595161404854639 2    854540 2      C-13-H3C(O)CH3
  282989.9560  0.3959 -6.9743 3 1958.6805D68  595161404854639 0    854540 0      C-13-H3C(O)CH3
  283005.1970  0.0594 -5.7123 3 1188.8545A16  595161404635014 2    634915 2      C-13-H3C(O)CH3
  283019.1295  0.0118 -5.6535 3  281.2375520  595161404321913 0    321616 0      C-13-H3C(O)CH3
  283021.9850  0.0724 -5.7123 3 1188.8973A16  595161404635013 2    634914 2      C-13-H3C(O)CH3
  283023.8382  0.0058 -4.7487 3  381.9192680 -595161404421033 2    42 934 2      C-13-H3C(O)CH3
  283023.8382  0.0058 -4.7487 3  381.9192680 -59516140442 933 2    42 834 2      C-13-H3C(O)CH3
  283023.9244  0.0058 -4.6198 3  381.9192680  595161404421033 2    42 834 2      C-13-H3C(O)CH3
  283023.9244  0.0058 -4.6198 3  381.9192680  59516140442 933 2    42 934 2      C-13-H3C(O)CH3
  283026.2103  0.0060 -4.3941 3  381.9199680  595161404421033 1    42 834 1      C-13-H3C(O)CH3
  283026.2103  0.0060 -4.3941 3  381.9199680  59516140442 933 1    42 934 1      C-13-H3C(O)CH3
  283026.2562  0.0060 -5.8317 3  381.9199680 -59516140442 933 1    42 834 1      C-13-H3C(O)CH3
  283026.2562  0.0060 -5.8317 3  381.9199680 -595161404421033 1    42 934 1      C-13-H3C(O)CH3
  283037.6873  0.0067 -6.0552 3  199.7223220  595161404271711 4    271414 4      C-13-H3C(O)CH3
  283038.6931  0.0825 -6.2096 3  742.7365380  5951614044747 0 4    4746 1 4      C-13-H3C(O)CH3
  283039.1939  0.3959 -6.9741 3 1958.6741D68  595161404854739 1    854640 1      C-13-H3C(O)CH3
  283039.3939  0.0154 -5.7751 3  267.5532244  5951614043024 7 3    2925 4 3      C-13-H3C(O)CH3
  283048.9617  0.6333 -6.9278 3 1909.5385D20  595161404825627 1    825528 1      C-13-H3C(O)CH3
  283051.9482  0.4055 -6.9741 3 1958.6766D68  595161404854739 2    854640 2      C-13-H3C(O)CH3
  283053.3906  0.0659 -5.7123 3 1188.8894A16  595161404635013 1    634914 1      C-13-H3C(O)CH3
  283057.3502  0.3965 -6.9741 3 1958.6809D68  595161404854739 0    854640 0      C-13-H3C(O)CH3
  283059.7582  0.0063 -6.0550 3  199.7223220  595161404271711 3    271414 3      C-13-H3C(O)CH3
  283061.6321  0.0095 -5.6965 3  236.9445472  595161404292010 2    291713 2      C-13-H3C(O)CH3
  283088.9868  0.0617 -5.7122 3 1188.8540A16  595161404635014 1    634915 1      C-13-H3C(O)CH3
  283104.0572  0.0067 -5.7526 3  199.7340440  595161404271711 1    271414 1      C-13-H3C(O)CH3
  283106.5293  0.0085 -5.6837 3  236.9628472  595161404292010 0    291713 0      C-13-H3C(O)CH3
  283113.5517  0.0877 -6.2092 3  742.6898380  5951614044747 0 3    4746 1 3      C-13-H3C(O)CH3
  283114.3669  0.0052 -4.4110 3  381.9410680 -59516140442 933 0    42 834 0      C-13-H3C(O)CH3
  283114.3669  0.0052 -4.4110 3  381.9410680 -595161404421033 0    42 934 0      C-13-H3C(O)CH3
  283114.4213  0.0052 -5.5154 3  381.9410680  595161404421033 0    42 834 0      C-13-H3C(O)CH3
  283114.4213  0.0052 -5.5154 3  381.9410680  59516140442 933 0    42 934 0      C-13-H3C(O)CH3
  283140.0454  0.0055 -4.3586 3   75.4745140  5951614041711 7 3    1610 6 3      C-13-H3C(O)CH3
  283140.5322  0.0066 -5.7522 3  199.7299440  595161404271711 2    271414 2      C-13-H3C(O)CH3
  283174.7163  0.0162 -5.7755 3  267.5339244  5951614043024 7 4    2925 5 4      C-13-H3C(O)CH3
  283185.0620  0.0177 -5.7738 3  267.5638244  5951614043024 6 4    2925 4 4      C-13-H3C(O)CH3
  283193.5648  0.0069 -5.7505 3  199.7416440  595161404271711 0    271414 0      C-13-H3C(O)CH3
  283199.4184  0.0545 -5.7119 3 1188.8545A16  595161404635013 0    634914 0      C-13-H3C(O)CH3
  283199.4184  0.0545 -5.7119 3 1188.8545A16  595161404635014 0    634915 0      C-13-H3C(O)CH3
  283200.7390  0.0175 -5.9559 3  281.1938260  595161404321913 4    321616 4      C-13-H3C(O)CH3
  283201.8009  0.0162 -5.9559 3  281.1938260  595161404321913 3    321616 3      C-13-H3C(O)CH3
  283209.9165  0.0123 -6.0136 3  403.0392632  595161404392020 1    382117 1      C-13-H3C(O)CH3
  283234.5085  0.6280 -6.9275 3 1909.5735D20  595161404825626 1    825527 1      C-13-H3C(O)CH3
  283248.3941  0.0035 -3.8550 3  134.3367236  59516140429 029 4    28 128 4      C-13-H3C(O)CH3
  283248.3941  0.0035 -4.3181 3  134.3367236  59516140429 129 4    28 128 4      C-13-H3C(O)CH3
  283248.3958  0.0036 -4.7052 3  134.3367236  59516140429 029 3    28 028 3      C-13-H3C(O)CH3
  283248.3958  0.0036 -4.7052 3  134.3367236  59516140429 129 3    28 128 3      C-13-H3C(O)CH3
  283248.4239  0.0036 -3.7672 3  134.3367236 -59516140429 029 3    28 128 3      C-13-H3C(O)CH3
  283248.4239  0.0036 -3.7672 3  134.3367236 -59516140429 129 3    28 028 3      C-13-H3C(O)CH3
  283248.4239  0.0035 -4.2923 3  134.3367236 -59516140429 029 4    28 028 4      C-13-H3C(O)CH3
  283248.4239  0.0035 -3.8460 3  134.3367236 -59516140429 129 4    28 028 4      C-13-H3C(O)CH3
  283250.3221  0.0226 -5.9662 3  205.8173220  5951614042719 9 3    2620 6 3      C-13-H3C(O)CH3
  283254.0125  0.0040 -6.7851 3  134.2673472  59516140429 129 1    28 028 1      C-13-H3C(O)CH3
  283254.0125  0.0040 -3.4188 3  134.2673472  59516140429 029 1    28 028 1      C-13-H3C(O)CH3
  283254.1035  0.0039 -3.4410 3  134.2669472 -59516140429 129 2    28 128 2      C-13-H3C(O)CH3
  283254.1035  0.0039 -3.4410 3  134.2669472 -59516140429 029 2    28 028 2      C-13-H3C(O)CH3
  283254.1035  0.0040 -6.7851 3  134.2673472 -59516140429 029 1    28 128 1      C-13-H3C(O)CH3
  283254.1035  0.0040 -3.4188 3  134.2673472 -59516140429 129 1    28 128 1      C-13-H3C(O)CH3
  283254.1369  0.0039 -4.7172 3  134.2669472  59516140429 129 2    28 028 2      C-13-H3C(O)CH3
  283254.1369  0.0039 -4.7172 3  134.2669472  59516140429 029 2    28 128 2      C-13-H3C(O)CH3
  283259.7344  0.0036 -3.9281 3  134.1977472  59516140429 129 0    28 128 0      C-13-H3C(O)CH3
  283259.7344  0.0036 -3.5791 3  134.1977472  59516140429 029 0    28 128 0      C-13-H3C(O)CH3
  283259.8116  0.0036 -3.9281 3  134.1977472 -59516140429 029 0    28 028 0      C-13-H3C(O)CH3
  283259.8116  0.0036 -3.5791 3  134.1977472 -59516140429 129 0    28 028 0      C-13-H3C(O)CH3
  283278.4952  0.0103 -6.0121 3  403.0615632  595161404392020 0    382117 0      C-13-H3C(O)CH3
  283289.0429  0.0136 -5.6551 3  281.2181520  595161404321913 1    321616 1      C-13-H3C(O)CH3
  283292.1746  0.5976 -6.9272 3 1909.5219D20  595161404825627 2    825528 2      C-13-H3C(O)CH3
  283302.1517  0.0142 -6.3131 3  403.0077316  595161404392020 4    382117 4      C-13-H3C(O)CH3
  283306.4245  0.0150 -6.3131 3  403.0076316  595161404392020 3    382117 3      C-13-H3C(O)CH3
  283317.6214  0.5868 -6.9273 3 1909.5465D20  595161404825626 2    825527 2      C-13-H3C(O)CH3
  283319.4045  0.0147 -5.7742 3  267.5445244  5951614043024 6 3    2925 5 3      C-13-H3C(O)CH3
  283344.5914  0.0065 -5.3465 3  356.5644332  59516140441 833 4    41 834 4      C-13-H3C(O)CH3
  283344.5914  0.0065 -4.7777 3  356.5644332  59516140441 833 4    41 734 4      C-13-H3C(O)CH3
  283344.5914  0.0065 -5.3465 3  356.5644332  59516140441 933 4    41 734 4      C-13-H3C(O)CH3
  283344.5914  0.0065 -4.7777 3  356.5644332  59516140441 933 4    41 834 4      C-13-H3C(O)CH3
  283344.8980  0.0061 -4.6743 3  356.5643332  59516140441 833 3    41 834 3      C-13-H3C(O)CH3
  283344.8980  0.0061 -4.6743 3  356.5643332  59516140441 933 3    41 734 3      C-13-H3C(O)CH3
  283357.8124  0.0051 -4.0591 3   75.4427280 -5951614041711 7 1    1610 6 1      C-13-H3C(O)CH3
  283366.0783  0.0087 -5.0800 3  205.8645440  5951614042719 8 2    2620 6 2      C-13-H3C(O)CH3
  283369.4931  0.7019 -6.9271 3 1909.5452D20  595161404825626 0    825527 0      C-13-H3C(O)CH3
  283373.3717  0.0132 -5.9142 3  222.8568456  5951614042820 9 2    281712 2      C-13-H3C(O)CH3
  283374.7821  0.0135 -6.0106 3  403.0300632  595161404392020 2    382117 2      C-13-H3C(O)CH3
  283377.4430  0.7016 -6.9271 3 1909.5449D20  595161404825627 0    825528 0      C-13-H3C(O)CH3
  283396.4562  0.0368 -5.4546 3  893.8842856  5951614045348 6 2    5347 7 2      C-13-H3C(O)CH3
  283454.0695  0.0088 -5.0801 3  205.8307440  5951614042719 9 2    2620 7 2      C-13-H3C(O)CH3
  283456.2128  0.0153 -6.7153 3  222.8457228  5951614042820 8 3    281712 3      C-13-H3C(O)CH3
  283465.9676  0.0328 -5.4546 3  893.8720856  5951614045348 6 0    5347 6 0      C-13-H3C(O)CH3
  283465.9676  0.0328 -5.4546 3  893.8720856  5951614045348 5 0    5347 7 0      C-13-H3C(O)CH3
  283469.4790  0.0057 -6.2325 3  356.5803664 -59516140441 833 2    41 734 2      C-13-H3C(O)CH3
  283469.4790  0.0057 -6.2325 3  356.5803664 -59516140441 933 2    41 834 2      C-13-H3C(O)CH3
  283469.5225  0.0057 -4.3784 3  356.5803664  59516140441 833 2    41 834 2      C-13-H3C(O)CH3
  283469.5225  0.0057 -4.3784 3  356.5803664  59516140441 933 2    41 734 2      C-13-H3C(O)CH3
  283471.3200  0.0097 -5.4842 3  755.0427888  595161404552134 0    552135 0      C-13-H3C(O)CH3
  283471.3200  0.0097 -4.8263 3  755.0427888  595161404552134 0    552035 0      C-13-H3C(O)CH3
  283471.3200  0.0097 -6.2378 3  755.0427888  595161404552234 0    552035 0      C-13-H3C(O)CH3
  283471.3200  0.0097 -4.9107 3  755.0427888  595161404552234 0    552135 0      C-13-H3C(O)CH3
  283471.7334  0.0059 -4.6488 3  356.5809664  59516140441 833 1    41 734 1      C-13-H3C(O)CH3
  283471.7334  0.0059 -4.6488 3  356.5809664  59516140441 933 1    41 834 1      C-13-H3C(O)CH3
  283471.8537  0.0059 -4.6996 3  356.5809664 -59516140441 833 1    41 834 1      C-13-H3C(O)CH3
  283471.8537  0.0059 -4.6996 3  356.5809664 -59516140441 933 1    41 734 1      C-13-H3C(O)CH3
  283489.2897  0.0054 -4.3785 3   84.1530148 -5951614041811 8 4    1710 7 4      C-13-H3C(O)CH3
  283496.6197  0.0108 -5.4336 3  205.8091220  5951614042719 9 3    2620 7 3      C-13-H3C(O)CH3
  283511.0339  0.0505 -5.7554 3  893.9055428  5951614045348 6 4    5347 7 4      C-13-H3C(O)CH3
  283531.8058  0.0446 -5.7555 3  893.9192428  5951614045348 5 3    5347 6 3      C-13-H3C(O)CH3
  283531.8615  0.0112 -6.1761 3  755.0344888  595161404552234 1    552035 1      C-13-H3C(O)CH3
  283531.8615  0.0112 -4.8091 3  755.0344888  595161404552234 1    552135 1      C-13-H3C(O)CH3
  283531.8615  0.0112 -4.8279 3  755.0344888  595161404552134 1    552035 1      C-13-H3C(O)CH3
  283533.1790  0.0136 -4.8107 3  755.0342888  595161404552234 2    552035 2      C-13-H3C(O)CH3
  283533.1790  0.0136 -4.8105 3  755.0342888  595161404552134 2    552135 2      C-13-H3C(O)CH3
  283533.4326  0.0054 -4.0570 3   75.4361280 -5951614041711 7 2    1610 6 2      C-13-H3C(O)CH3
  283548.3936  0.0087 -5.0209 3  205.8699440  5951614042719 8 0    2620 7 0      C-13-H3C(O)CH3
  283564.9550  0.0043 -4.3771 3   84.1516148 -5951614041811 8 3    1710 7 3      C-13-H3C(O)CH3
  283565.2996  0.0083 -5.0493 3  205.8149440  5951614042719 9 1    2620 7 1      C-13-H3C(O)CH3
  283575.9674  0.0345 -5.4544 3  893.8882856  5951614045348 5 2    5347 6 2      C-13-H3C(O)CH3
  283581.4081  0.0360 -5.4543 3  893.8935856  5951614045348 6 1    5347 7 1      C-13-H3C(O)CH3
  283592.3792  0.0124 -5.3324 3  205.8511220  5951614042719 8 4    2620 6 4      C-13-H3C(O)CH3
  283593.8117  0.0131 -6.1898 3  755.0259444  595161404552134 3    552135 3      C-13-H3C(O)CH3
  283593.8117  0.0131 -5.1102 3  755.0259444  595161404552134 3    552035 3      C-13-H3C(O)CH3
  283593.8117  0.0131 -5.1474 3  755.0259444  595161404552234 3    552135 3      C-13-H3C(O)CH3
  283593.9436  0.0132 -5.1097 3  755.0259444  595161404552134 4    552035 4      C-13-H3C(O)CH3
  283593.9436  0.0132 -5.1097 3  755.0259444  595161404552234 4    552135 4      C-13-H3C(O)CH3
  283596.1518  0.0053 -4.4351 3  356.5968664  59516140441 933 0    41 734 0      C-13-H3C(O)CH3
  283596.1518  0.0053 -4.4351 3  356.5968664  59516140441 833 0    41 834 0      C-13-H3C(O)CH3
  283596.1798  0.0053 -5.2407 3  356.5968664 -59516140441 933 0    41 834 0      C-13-H3C(O)CH3
  283596.1798  0.0053 -5.2407 3  356.5968664 -59516140441 833 0    41 734 0      C-13-H3C(O)CH3
  283601.5471  0.0329 -5.4545 3  893.9071856  5951614045348 5 1    5347 6 1      C-13-H3C(O)CH3
  283606.1283  0.0086 -5.0483 3  205.8568440  5951614042719 8 1    2620 6 1      C-13-H3C(O)CH3
  283623.8555  0.0354 -5.5029 3  518.9353696  595161404432815 0    432518 0      C-13-H3C(O)CH3
  283641.7115  0.1375 -6.3848 3 1430.9371564  595161404705219 4    705120 4      C-13-H3C(O)CH3
  283665.6980  0.0087 -5.7649 3  222.8725456  5951614042820 9 0    281712 0      C-13-H3C(O)CH3
  283675.8542  0.1533 -6.3848 3 1430.9878564  595161404705218 3    705119 3      C-13-H3C(O)CH3
  283691.2231  0.0461 -5.7552 3  893.9095428  5951614045348 6 3    5347 7 3      C-13-H3C(O)CH3
  283709.9526  0.0176 -6.6127 3  168.2256196  5951614042419 6 4    2416 9 4      C-13-H3C(O)CH3
  283712.4224  0.0453 -5.7553 3  893.9231428  5951614045348 5 4    5347 6 4      C-13-H3C(O)CH3
  283721.9954  0.0072 -4.7740 3  331.8218324  59516140440 833 4    40 734 4      C-13-H3C(O)CH3
  283721.9954  0.0072 -5.3705 3  331.8218324  59516140440 733 4    40 734 4      C-13-H3C(O)CH3
  283721.9954  0.0072 -4.7740 3  331.8218324  59516140440 733 4    40 634 4      C-13-H3C(O)CH3
  283721.9954  0.0072 -5.3705 3  331.8218324  59516140440 833 4    40 634 4      C-13-H3C(O)CH3
  283722.2987  0.0067 -4.8651 3  331.8218324  59516140440 833 3    40 734 3      C-13-H3C(O)CH3
  283722.2987  0.0067 -5.1280 3  331.8218324  59516140440 733 3    40 734 3      C-13-H3C(O)CH3
  283722.2987  0.0067 -4.8651 3  331.8218324  59516140440 733 3    40 634 3      C-13-H3C(O)CH3
  283722.2987  0.0067 -5.1280 3  331.8218324  59516140440 833 3    40 634 3      C-13-H3C(O)CH3
  283739.5582  0.1453 -6.3847 3 1430.9828564  595161404705219 3    705120 3      C-13-H3C(O)CH3
  283773.4048  0.1600 -6.3847 3 1431.0336564  595161404705218 4    705119 4      C-13-H3C(O)CH3
  283787.7207  0.0045 -4.0758 3   84.1232296 -5951614041811 8 1    1710 7 1      C-13-H3C(O)CH3
  283836.7788  0.0119 -6.2067 3  222.8614456  5951614042820 8 1    281712 1      C-13-H3C(O)CH3
  283845.5539  0.0044 -4.0535 3   75.4035280 -5951614041711 7 0    1610 6 0      C-13-H3C(O)CH3
  283868.2444  0.0838 -6.0361 3 1298.4983564  595161404703436 4    703337 4      C-13-H3C(O)CH3
  283868.2566  0.0837 -6.0361 3 1298.4982564  595161404703436 3    703337 3      C-13-H3C(O)CH3
  283868.2930  0.0838 -6.0361 3 1298.4983564  595161404703536 4    703437 4      C-13-H3C(O)CH3
  283868.3054  0.0837 -6.0361 3 1298.4982564  595161404703536 3    703437 3      C-13-H3C(O)CH3
  283870.4486  0.1342 -6.0832 3 1430.9432B28  595161404705219 1    705120 1      C-13-H3C(O)CH3
  283887.8038  0.0056 -5.0922 3  331.8309648 -59516140440 833 2    40 734 2      C-13-H3C(O)CH3
  283887.8038  0.0056 -5.0922 3  331.8309648 -59516140440 733 2    40 634 2      C-13-H3C(O)CH3
  283887.8575  0.0056 -4.4665 3  331.8309648  59516140440 733 2    40 734 2      C-13-H3C(O)CH3
  283887.8575  0.0056 -4.4665 3  331.8309648  59516140440 833 2    40 634 2      C-13-H3C(O)CH3
  283888.6565  0.0818 -5.7351 3 1298.4794B28  595161404703436 1    703337 1      C-13-H3C(O)CH3
  283888.7033  0.0818 -5.7351 3 1298.4794B28  595161404703536 1    703437 1      C-13-H3C(O)CH3
  283889.9333  0.0059 -4.9096 3  331.8315648  59516140440 733 1    40 734 1      C-13-H3C(O)CH3
  283889.9333  0.0059 -4.9096 3  331.8315648  59516140440 833 1    40 634 1      C-13-H3C(O)CH3
  283890.0376  0.0059 -4.5240 3  331.8315648 -59516140440 733 1    40 634 1      C-13-H3C(O)CH3
  283890.0376  0.0059 -4.5240 3  331.8315648 -59516140440 833 1    40 734 1      C-13-H3C(O)CH3
  283892.1787  0.1406 -6.0832 3 1430.9479B28  595161404705219 2    705120 2      C-13-H3C(O)CH3
  283894.1807  0.0838 -5.7351 3 1298.4820B28  595161404703436 2    703337 2      C-13-H3C(O)CH3
  283894.2211  0.0838 -5.7351 3 1298.4820B28  595161404703536 2    703437 2      C-13-H3C(O)CH3
  283904.3177  0.1550 -6.0833 3 1430.9939B28  595161404705218 1    705119 1      C-13-H3C(O)CH3
  283913.5743  0.0602 -5.8325 3 1035.1583468  5951614045849 9 4    584810 4      C-13-H3C(O)CH3
  283914.5812  0.0818 -5.7349 3 1298.4631B28  595161404703436 0    703337 0      C-13-H3C(O)CH3
  283914.6200  0.0818 -5.7349 3 1298.4631B28  595161404703536 0    703437 0      C-13-H3C(O)CH3
  283915.7283  0.0105 -5.3326 3  205.7753220  5951614042719 9 4    2620 7 4      C-13-H3C(O)CH3
  283946.8286  0.0460 -5.5314 3 1035.1310936  5951614045849 9 2    584810 2      C-13-H3C(O)CH3
  283962.2727  0.0046 -4.0752 3   84.1150296 -5951614041811 8 2    1710 7 2      C-13-H3C(O)CH3
  283966.3281  0.0520 -5.8325 3 1035.1448468  5951614045849 9 3    584810 3      C-13-H3C(O)CH3
  283989.5912  0.0157 -6.5113 3  602.5126776  595161404482226 1    472523 1      C-13-H3C(O)CH3
  283989.6995  0.1521 -6.0831 3 1430.9936B28  595161404705218 2    705119 2      C-13-H3C(O)CH3
  283997.0456  0.0094 -6.6642 3  236.9500472  5951614042920 9 1    291713 1      C-13-H3C(O)CH3
  284001.7217  0.0194 -6.8110 3  602.4957388  595161404482226 4    472523 4      C-13-H3C(O)CH3
  284001.7403  0.0193 -6.8110 3  602.4958388  595161404482226 3    472523 3      C-13-H3C(O)CH3
  284002.0852  0.0530 -5.8324 3 1035.1318468  595161404584910 3    584811 3      C-13-H3C(O)CH3
  284008.2841  0.0129 -6.5112 3  602.5269776  595161404482226 0    472523 0      C-13-H3C(O)CH3
  284012.2414  0.0128 -6.3056 3  222.8568456  5951614042820 8 2    281712 2      C-13-H3C(O)CH3
  284017.2060  0.0109 -5.4313 3  205.8173220  5951614042719 8 3    2620 6 3      C-13-H3C(O)CH3
  284018.5217  0.0170 -6.4612 3  222.8455228  5951614042820 8 4    281712 4      C-13-H3C(O)CH3
  284020.6120  0.0183 -6.5097 3  602.5101776  595161404482226 2    472523 2      C-13-H3C(O)CH3
  284035.2341  0.0424 -5.5313 3 1035.1046936  595161404584910 2    584811 2      C-13-H3C(O)CH3
  284047.6773  0.0344 -5.5083 3  518.9124696  595161404432815 1    432518 1      C-13-H3C(O)CH3
  284052.5930  0.0156 -6.5111 3  602.5105776  595161404482326 1    472423 1      C-13-H3C(O)CH3
  284054.9933  0.0540 -5.8324 3 1035.1183468  595161404584910 4    584811 4      C-13-H3C(O)CH3
  284055.1975  0.0054 -6.1976 3  331.8407648 -59516140440 833 0    40 734 0      C-13-H3C(O)CH3
  284055.1975  0.0054 -4.3740 3  331.8407648 -59516140440 733 0    40 734 0      C-13-H3C(O)CH3
  284055.2026  0.0054 -4.3802 3  331.8407648  59516140440 833 0    40 634 0      C-13-H3C(O)CH3
  284056.7169  0.0015 -4.1441 3  109.4037172 -59516140421 912 3    201011 3      C-13-H3C(O)CH3
  284056.7169  0.0016 -4.1441 3  109.4037172 -59516140421 912 4    201011 4      C-13-H3C(O)CH3
  284068.5948  0.0197 -6.8107 3  602.4935388  595161404482326 4    472423 4      C-13-H3C(O)CH3
  284068.6282  0.0129 -6.5110 3  602.5249776  595161404482326 0    472423 0      C-13-H3C(O)CH3
  284068.7952  0.0196 -6.8107 3  602.4935388  595161404482326 3    472423 3      C-13-H3C(O)CH3
  284068.9649  0.0082 -5.7722 3  307.6714316  59516140439 733 4    39 534 4      C-13-H3C(O)CH3
  284068.9649  0.0082 -5.7722 3  307.6714316  59516140439 633 4    39 634 4      C-13-H3C(O)CH3
  284068.9649  0.0082 -4.7254 3  307.6714316  59516140439 733 4    39 634 4      C-13-H3C(O)CH3
  284068.9649  0.0082 -4.7254 3  307.6714316  59516140439 633 4    39 534 4      C-13-H3C(O)CH3
  284069.2349  0.0075 -5.7448 3  307.6713316  59516140439 733 3    39 534 3      C-13-H3C(O)CH3
  284069.2349  0.0075 -4.7279 3  307.6713316  59516140439 733 3    39 634 3      C-13-H3C(O)CH3
  284069.2349  0.0075 -4.7279 3  307.6713316  59516140439 633 3    39 534 3      C-13-H3C(O)CH3
  284069.2349  0.0075 -5.7448 3  307.6713316  59516140439 633 3    39 634 3      C-13-H3C(O)CH3
  284075.7716  0.0449 -5.5312 3 1035.1274936  5951614045849 9 1    584810 1      C-13-H3C(O)CH3
  284082.0624  0.0060 -6.9401 3   79.4198148  59516140418 810 3    18 513 3      C-13-H3C(O)CH3
  284083.7686  0.0082 -6.9401 3   79.4198148  59516140418 810 4    18 513 4      C-13-H3C(O)CH3
  284084.8166  0.0185 -6.5095 3  602.5080776  595161404482326 2    472423 2      C-13-H3C(O)CH3
  284107.8727  0.0127 -6.7712 3  236.9317236  5951614042920 9 4    291713 4      C-13-H3C(O)CH3
  284108.0837  0.0365 -5.5311 3 1035.1001936  5951614045849 9 0    584811 0      C-13-H3C(O)CH3
  284108.0837  0.0365 -5.5311 3 1035.1001936  595161404584910 0    584810 0      C-13-H3C(O)CH3
  284120.5779  0.1594 -6.0827 3 1430.9541B28  595161404705218 0    705119 0      C-13-H3C(O)CH3
  284120.5812  0.1594 -6.0827 3 1430.9541B28  595161404705219 0    705120 0      C-13-H3C(O)CH3
  284128.0159  0.3628 -6.9963 3 1782.9376636  595161404795525 4    795426 4      C-13-H3C(O)CH3
  284128.1355  0.0409 -5.5312 3 1035.1139936  595161404584910 1    584811 1      C-13-H3C(O)CH3
  284142.8349  0.0081 -5.9657 3  233.5951236  595161404291911 4    291614 4      C-13-H3C(O)CH3
  284149.5959  0.0017 -3.8430 3  109.3874344 -59516140421 912 1    201011 1      C-13-H3C(O)CH3
  284154.1983  0.0017 -3.8433 3  109.3848344 -59516140421 912 2    201011 2      C-13-H3C(O)CH3
  284157.2209  0.0080 -5.6626 3  233.6132472  595161404291911 1    291614 1      C-13-H3C(O)CH3
  284176.3612  0.0076 -5.9643 3  233.5951236  595161404291911 3    291614 3      C-13-H3C(O)CH3
  284193.7669  0.3298 -6.9962 3 1782.9684636  595161404795525 3    795426 3      C-13-H3C(O)CH3
  284194.0634  0.0042 -4.3344 3   93.2239156 -5951614041911 9 4    1810 8 4      C-13-H3C(O)CH3
  284219.6815  0.0045 -4.0743 3   84.0861296 -5951614041811 8 0    1710 7 0      C-13-H3C(O)CH3
  284236.5881  0.0047 -4.3342 3   93.2228156 -5951614041911 9 3    1810 8 3      C-13-H3C(O)CH3
  284239.5298  0.0016 -4.1434 3  109.3988172 -595161404211012 4    20 911 4      C-13-H3C(O)CH3
  284240.5376  0.0015 -4.1434 3  109.3987172 -595161404211012 3    20 911 3      C-13-H3C(O)CH3
  284246.8494  0.0016 -3.8433 3  109.3686344 -59516140421 912 0    201011 0      C-13-H3C(O)CH3
  284257.2654  0.4361 -6.6950 3 1782.9561C72  595161404795525 1    795426 1      C-13-H3C(O)CH3
  284263.5035  0.0227 -5.9629 3  205.8091220  5951614042719 8 3    2620 7 3      C-13-H3C(O)CH3
  284274.8146  0.3583 -6.9961 3 1782.9809636  595161404795524 3    795425 3      C-13-H3C(O)CH3
  284279.1195  0.0060 -6.9397 3   79.4198148  59516140418 910 3    18 613 3      C-13-H3C(O)CH3
  284279.2047  0.0080 -6.9397 3   79.4198148  59516140418 910 4    18 613 4      C-13-H3C(O)CH3
  284280.4962  0.0060 -5.6589 3  307.6721632  59516140439 633 2    39 634 2      C-13-H3C(O)CH3
  284280.4962  0.0060 -5.6589 3  307.6721632  59516140439 733 2    39 534 2      C-13-H3C(O)CH3
  284280.5054  0.0060 -4.4100 3  307.6721632 -59516140439 633 2    39 534 2      C-13-H3C(O)CH3
  284280.5054  0.0060 -4.4100 3  307.6721632 -59516140439 733 2    39 634 2      C-13-H3C(O)CH3
  284282.3802  0.0065 -5.5245 3  307.6726632  59516140439 733 1    39 634 1      C-13-H3C(O)CH3
  284282.3802  0.0065 -4.4191 3  307.6726632  59516140439 633 1    39 634 1      C-13-H3C(O)CH3
  284282.4869  0.0065 -4.4191 3  307.6726632 -59516140439 733 1    39 534 1      C-13-H3C(O)CH3
  284282.4869  0.0065 -5.5245 3  307.6726632 -59516140439 633 1    39 534 1      C-13-H3C(O)CH3
  284329.6350  0.0081 -5.6605 3  233.6262472  595161404291911 0    291614 0      C-13-H3C(O)CH3
  284334.5215  0.0017 -3.8423 3  109.3825344 -595161404211012 1    20 911 1      C-13-H3C(O)CH3
  284336.5435  0.0078 -5.6620 3  233.6080472  595161404291911 2    291614 2      C-13-H3C(O)CH3
  284340.5747  0.3443 -6.9960 3 1783.0117636  595161404795524 4    795425 4      C-13-H3C(O)CH3
  284344.6706  0.0017 -3.8426 3  109.3797344 -595161404211012 2    20 911 2      C-13-H3C(O)CH3
  284361.3663  0.0063 -6.6348 3   79.3829296  59516140418 810 2    18 513 2      C-13-H3C(O)CH3
  284367.1172  0.0285 -5.2577 3 1029.5549A16  595161404632835 0    632736 0      C-13-H3C(O)CH3
  284367.1174  0.0285 -5.2577 3 1029.5549A16  595161404632935 0    632836 0      C-13-H3C(O)CH3
  284375.7179  0.1879 -6.5739 3 1543.6608588  595161404735321 4    735222 4      C-13-H3C(O)CH3
  284375.7978  0.0089 -4.7588 3  722.1130872  595161404542034 0    541935 0      C-13-H3C(O)CH3
  284375.7978  0.0089 -4.7581 3  722.1130872  595161404542134 0    542035 0      C-13-H3C(O)CH3
  284377.4081  0.0195 -5.9117 3  205.8307440  5951614042719 8 2    2620 7 2      C-13-H3C(O)CH3
  284380.5666  0.0301 -5.2577 3 1029.5681A16  595161404632835 1    632736 1      C-13-H3C(O)CH3
  284380.5669  0.0301 -5.2577 3 1029.5681A16  595161404632935 1    632836 1      C-13-H3C(O)CH3
  284384.9167  0.0355 -5.2577 3 1029.5692A16  595161404632835 2    632736 2      C-13-H3C(O)CH3
  284384.9170  0.0355 -5.2577 3 1029.5692A16  595161404632935 2    632836 2      C-13-H3C(O)CH3
  284386.9161  0.0096 -4.8832 3  284.1141308  59516140438 633 4    38 534 4      C-13-H3C(O)CH3
  284386.9161  0.0096 -5.2037 3  284.1141308  59516140438 533 4    38 534 4      C-13-H3C(O)CH3
  284386.9161  0.0096 -4.8832 3  284.1141308  59516140438 533 4    38 434 4      C-13-H3C(O)CH3
  284386.9161  0.0096 -5.2037 3  284.1141308  59516140438 633 4    38 434 4      C-13-H3C(O)CH3
  284387.1132  0.0088 -4.8107 3  284.1141308  59516140438 533 3    38 434 3      C-13-H3C(O)CH3
  284387.1132  0.0088 -4.8107 3  284.1141308  59516140438 633 3    38 534 3      C-13-H3C(O)CH3
  284387.1132  0.0088 -5.4112 3  284.1141308  59516140438 533 3    38 534 3      C-13-H3C(O)CH3
  284387.1132  0.0088 -5.4112 3  284.1141308  59516140438 633 3    38 434 3      C-13-H3C(O)CH3
  284398.4200  0.0361 -5.5586 3 1029.5824508  595161404632835 3    632736 3      C-13-H3C(O)CH3
  284398.4203  0.0361 -5.5586 3 1029.5824508  595161404632935 3    632836 3      C-13-H3C(O)CH3
  284398.4996  0.0362 -5.5586 3 1029.5824508  595161404632835 4    632736 4      C-13-H3C(O)CH3
  284398.4999  0.0362 -5.5586 3 1029.5824508  595161404632935 4    632836 4      C-13-H3C(O)CH3
  284403.6275  0.4680 -6.6948 3 1782.9994C72  595161404795524 1    795425 1      C-13-H3C(O)CH3
  284406.1310  0.0062 -6.6357 3   79.3839296  59516140418 810 1    18 513 1      C-13-H3C(O)CH3
  284415.5182  0.0041 -4.0332 3   93.1992312 -5951614041911 9 1    1810 8 1      C-13-H3C(O)CH3
  284438.7908  0.0016 -3.8426 3  109.3635344 -595161404211012 0    20 911 0      C-13-H3C(O)CH3
  284439.2349  0.0102 -4.7589 3  722.1012872  595161404542134 1    541935 1      C-13-H3C(O)CH3
  284439.2349  0.0102 -4.7623 3  722.1012872  595161404542034 1    542035 1      C-13-H3C(O)CH3
  284439.2349  0.0102 -6.6472 3  722.1012872  595161404542134 1    542035 1      C-13-H3C(O)CH3
  284440.0999  0.0121 -5.2508 3  722.1008872  595161404542034 2    541935 2      C-13-H3C(O)CH3
  284440.0999  0.0121 -4.9258 3  722.1008872  595161404542034 2    542035 2      C-13-H3C(O)CH3
  284440.0999  0.0121 -4.9450 3  722.1008872  595161404542134 2    541935 2      C-13-H3C(O)CH3
  284440.0999  0.0121 -5.2129 3  722.1008872  595161404542134 2    542035 2      C-13-H3C(O)CH3
  284444.0903  0.2086 -6.5739 3 1543.7124588  595161404735320 3    735221 3      C-13-H3C(O)CH3
  284455.2321  0.4261 -6.6946 3 1782.9478C72  595161404795525 2    795426 2      C-13-H3C(O)CH3
  284478.0862  0.1853 -6.5738 3 1543.7031588  595161404735321 3    735222 3      C-13-H3C(O)CH3
  284493.2512  0.0058 -4.5744 3  307.6734632  59516140439 633 0    39 634 0      C-13-H3C(O)CH3
  284493.2512  0.0058 -4.5744 3  307.6734632  59516140439 733 0    39 534 0      C-13-H3C(O)CH3
  284493.3157  0.0058 -4.8378 3  307.6734632 -59516140439 733 0    39 634 0      C-13-H3C(O)CH3
  284493.3157  0.0058 -4.8378 3  307.6734632 -59516140439 633 0    39 534 0      C-13-H3C(O)CH3
  284503.6301  0.0116 -6.5174 3  722.0890436  595161404542034 3    541935 3      C-13-H3C(O)CH3
  284503.6301  0.0116 -6.4470 3  722.0890436  595161404542134 3    542035 3      C-13-H3C(O)CH3
  284503.6301  0.0116 -5.0764 3  722.0890436  595161404542134 3    541935 3      C-13-H3C(O)CH3
  284503.6301  0.0116 -5.0737 3  722.0890436  595161404542034 3    542035 3      C-13-H3C(O)CH3
  284503.7542  0.0117 -5.0584 3  722.0889436  595161404542134 4    542035 4      C-13-H3C(O)CH3
  284503.7542  0.0117 -5.0585 3  722.0889436  595161404542034 4    541935 4      C-13-H3C(O)CH3
  284520.7620  0.4239 -6.6945 3 1782.9787C72  595161404795524 2    795425 2      C-13-H3C(O)CH3
  284546.2662  0.2054 -6.5738 3 1543.7548588  595161404735320 4    735221 4      C-13-H3C(O)CH3
  284552.6892  0.0044 -4.0334 3   93.1915312 -5951614041911 9 2    1810 8 2      C-13-H3C(O)CH3
  284563.3426  0.2590 -6.7779 3 1660.9905612  595161404765423 4    765324 4      C-13-H3C(O)CH3
  284565.3309  0.0062 -6.6344 3   79.3829296  59516140418 910 2    18 613 2      C-13-H3C(O)CH3
  284565.4347  0.0400 -5.4765 3  868.9968840  5951614045248 5 2    5247 6 2      C-13-H3C(O)CH3
  284583.8102  0.5142 -6.6943 3 1782.9664C72  595161404795524 0    795425 0      C-13-H3C(O)CH3
  284583.9072  0.1978 -6.2724 3 1543.6708B76  595161404735321 1    735222 1      C-13-H3C(O)CH3
  284585.1682  0.5142 -6.6943 3 1782.9664C72  595161404795525 0    795426 0      C-13-H3C(O)CH3
  284596.0543  0.0339 -5.4765 3  868.9892840  5951614045248 4 0    5247 5 0      C-13-H3C(O)CH3
  284596.0543  0.0339 -5.4765 3  868.9892840  5951614045248 5 0    5247 6 0      C-13-H3C(O)CH3
  284604.8134  0.0061 -6.6352 3   79.3839296  59516140418 910 1    18 613 1      C-13-H3C(O)CH3
  284615.4121  0.0609 -5.5173 3  518.8988696  595161404432815 2    432518 2      C-13-H3C(O)CH3
  284621.5432  0.0174 -6.7583 3   61.6808124  5951614041512 3 4    1411 4 4      C-13-H3C(O)CH3
  284627.8869  0.0016 -4.0583 3  115.4850180 -59516140422 814 4    21 913 4      C-13-H3C(O)CH3
  284627.8869  0.0016 -4.0583 3  115.4850180 -59516140422 814 3    21 913 3      C-13-H3C(O)CH3
  284630.5161  0.0016 -4.0583 3  115.4849180 -59516140422 914 3    21 813 3      C-13-H3C(O)CH3
  284630.5161  0.0016 -4.0583 3  115.4850180 -59516140422 914 4    21 813 4      C-13-H3C(O)CH3
  284648.9188  0.0074 -6.2170 3  284.1047616  59516140438 533 2    38 534 2      C-13-H3C(O)CH3
  284648.9188  0.0074 -4.4182 3  284.1047616  59516140438 533 2    38 434 2      C-13-H3C(O)CH3
  284648.9188  0.0074 -4.4182 3  284.1047616  59516140438 633 2    38 534 2      C-13-H3C(O)CH3
  284648.9188  0.0074 -6.2170 3  284.1047616  59516140438 633 2    38 434 2      C-13-H3C(O)CH3
  284650.5587  0.0082 -6.6830 3  284.1052616  59516140438 533 1    38 434 1      C-13-H3C(O)CH3
  284650.5587  0.0082 -6.6830 3  284.1052616  59516140438 633 1    38 534 1      C-13-H3C(O)CH3
  284650.5594  0.0082 -4.4138 3  284.1052616 -59516140438 533 1    38 534 1      C-13-H3C(O)CH3
  284650.5594  0.0082 -4.4138 3  284.1052616 -59516140438 633 1    38 434 1      C-13-H3C(O)CH3
  284651.9647  0.2314 -6.2724 3 1543.7223B76  595161404735320 1    735221 1      C-13-H3C(O)CH3
  284655.0221  0.2401 -6.7778 3 1661.0275612  595161404765423 3    765324 3      C-13-H3C(O)CH3
  284664.3120  0.2052 -6.2723 3 1543.6734B76  595161404735321 2    735222 2      C-13-H3C(O)CH3
  284669.9889  0.2759 -6.7778 3 1661.0395612  595161404765422 3    765323 3      C-13-H3C(O)CH3
  284675.8755  0.0130 -6.3580 3  168.2369392  5951614042419 6 1    2416 9 1      C-13-H3C(O)CH3
  284677.2234  0.0114 -6.3611 3  261.1510300  59516140437 533 4    37 334 4      C-13-H3C(O)CH3
  284677.2234  0.0114 -4.7687 3  261.1510300  59516140437 533 4    37 434 4      C-13-H3C(O)CH3
  284677.2234  0.0114 -6.3611 3  261.1510300  59516140437 433 4    37 434 4      C-13-H3C(O)CH3
  284677.2234  0.0114 -4.7687 3  261.1510300  59516140437 433 4    37 334 4      C-13-H3C(O)CH3
  284677.2976  0.0106 -4.8320 3  261.1510300  59516140437 533 3    37 334 3      C-13-H3C(O)CH3
  284677.2976  0.0106 -5.5613 3  261.1510300  59516140437 533 3    37 434 3      C-13-H3C(O)CH3
  284677.2976  0.0106 -5.5613 3  261.1510300  59516140437 433 3    37 334 3      C-13-H3C(O)CH3
  284677.2976  0.0106 -4.8320 3  261.1510300  59516140437 433 3    37 434 3      C-13-H3C(O)CH3
  284684.1795  0.0060 -6.6312 3   79.3472296  59516140418 810 0    18 513 0      C-13-H3C(O)CH3
  284709.3603  0.0018 -3.7572 3  115.4689360 -59516140422 814 1    21 913 1      C-13-H3C(O)CH3
  284711.9479  0.0018 -3.7572 3  115.4689360 -59516140422 914 1    21 813 1      C-13-H3C(O)CH3
  284712.8933  0.0018 -3.7574 3  115.4671360 -59516140422 814 2    21 913 2      C-13-H3C(O)CH3
  284715.5657  0.0018 -3.7574 3  115.4670360 -59516140422 914 2    21 813 2      C-13-H3C(O)CH3
  284720.9977  0.0560 -5.7772 3  869.0181420  5951614045248 5 4    5247 6 4      C-13-H3C(O)CH3
  284723.3596  0.0502 -5.7774 3  869.0375420  5951614045248 4 3    5247 5 3      C-13-H3C(O)CH3
  284736.8396  0.2946 -6.4765 3 1661.0046C24  595161404765423 1    765324 1      C-13-H3C(O)CH3
  284750.5232  0.0036 -4.0333 3   93.1674312 -5951614041911 9 0    1810 8 0      C-13-H3C(O)CH3
  284752.2699  0.0384 -5.4762 3  869.0106840  5951614045248 5 1    5247 6 1      C-13-H3C(O)CH3
  284753.9498  0.0354 -5.4764 3  869.0301840  5951614045248 4 1    5247 5 1      C-13-H3C(O)CH3
  284761.2655  0.0370 -5.4763 3  869.0097840  5951614045248 4 2    5247 5 2      C-13-H3C(O)CH3
  284761.5956  0.2641 -6.7777 3 1661.0766612  595161404765422 4    765323 4      C-13-H3C(O)CH3
  284766.4161  0.2147 -6.2722 3 1543.7158B76  595161404735320 2    735221 2      C-13-H3C(O)CH3
  284787.5940  0.0982 -6.1635 3 1290.9325532  595161404665116 3    665017 3      C-13-H3C(O)CH3
  284794.2085  0.0016 -3.7573 3  115.4511360 -59516140422 814 0    21 913 0      C-13-H3C(O)CH3
  284796.8507  0.0016 -3.7573 3  115.4510360 -59516140422 914 0    21 813 0      C-13-H3C(O)CH3
  284805.1947  0.0024 -7.0255 3   67.3553132  5951614041611 5 3    1510 5 3      C-13-H3C(O)CH3
  284807.3120  0.0918 -6.1634 3 1290.8882532  595161404665116 4    665017 4      C-13-H3C(O)CH3
  284827.9986  0.0855 -5.9769 3 1159.0377500  595161404625012 4    624913 4      C-13-H3C(O)CH3
  284829.9889  0.0178 -6.7107 3  168.2329196  5951614042419 6 3    2416 9 3      C-13-H3C(O)CH3
  284839.2194  0.1180 -6.1635 3 1290.9795532  595161404665115 4    665016 4      C-13-H3C(O)CH3
  284842.5470  0.0685 -5.9768 3 1158.9968500  595161404625013 3    624914 3      C-13-H3C(O)CH3
  284843.1180  0.3356 -6.4764 3 1661.0536C24  595161404765422 1    765323 1      C-13-H3C(O)CH3
  284859.2351  0.1055 -6.1634 3 1290.9351532  595161404665115 3    665016 3      C-13-H3C(O)CH3
  284862.9969  0.0180 -6.2199 3  205.8149440  5951614042719 8 1    2620 7 1      C-13-H3C(O)CH3
  284872.2845  0.2442 -6.2718 3 1543.6835B76  595161404735320 0    735221 0      C-13-H3C(O)CH3
  284872.3122  0.2442 -6.2718 3 1543.6835B76  595161404735321 0    735222 0      C-13-H3C(O)CH3
  284876.9351  0.0746 -5.9768 3 1159.0062500  595161404625012 3    624913 3      C-13-H3C(O)CH3
  284878.1244  0.2975 -6.4762 3 1661.0029C24  595161404765423 2    765324 2      C-13-H3C(O)CH3
  284890.5177  0.0059 -6.6307 3   79.3472296  59516140418 910 0    18 613 0      C-13-H3C(O)CH3
  284891.3571  0.0686 -5.9767 3 1158.9653500  595161404625013 4    624914 4      C-13-H3C(O)CH3
  284891.4366  0.0553 -5.8090 3  518.8757348  595161404432815 3    432518 3      C-13-H3C(O)CH3
  284911.8525  0.0070 -5.0486 3  284.0958616  59516140438 533 0    38 534 0      C-13-H3C(O)CH3
  284911.8525  0.0070 -5.0486 3  284.0958616  59516140438 633 0    38 434 0      C-13-H3C(O)CH3
  284911.9243  0.0070 -4.5239 3  284.0958616 -59516140438 533 0    38 434 0      C-13-H3C(O)CH3
  284911.9243  0.0070 -4.5239 3  284.0958616 -59516140438 633 0    38 534 0      C-13-H3C(O)CH3
  284917.7199  0.0513 -5.7770 3  869.0310420  5951614045248 5 3    5247 6 3      C-13-H3C(O)CH3
  284920.4806  0.0496 -5.7772 3  869.0504420  5951614045248 4 4    5247 5 4      C-13-H3C(O)CH3
  284931.2150  0.2440 -6.8253 3 1724.7847644  595161404804238 4    804139 4      C-13-H3C(O)CH3
  284931.2857  0.2440 -6.8253 3 1724.7847644  595161404804238 3    804139 3      C-13-H3C(O)CH3
  284938.7108  0.2430 -6.8253 3 1724.7848644  595161404804338 4    804239 4      C-13-H3C(O)CH3
  284938.7838  0.2429 -6.8253 3 1724.7847644  595161404804338 3    804239 3      C-13-H3C(O)CH3
  284941.1153  0.0129 -4.8316 3  238.7829292  59516140436 333 3    36 234 3      C-13-H3C(O)CH3
  284941.1153  0.0129 -4.8316 3  238.7829292  59516140436 433 3    36 334 3      C-13-H3C(O)CH3
  284941.2261  0.0138 -5.1733 3  238.7829292  59516140436 333 4    36 334 4      C-13-H3C(O)CH3
  284941.2261  0.0138 -5.0945 3  238.7829292  59516140436 333 4    36 234 4      C-13-H3C(O)CH3
  284941.2261  0.0138 -5.0945 3  238.7829292  59516140436 433 4    36 334 4      C-13-H3C(O)CH3
  284941.2261  0.0138 -5.1733 3  238.7829292  59516140436 433 4    36 234 4      C-13-H3C(O)CH3
  284952.3917  0.0668 -5.6756 3 1159.0052A00  595161404625012 2    624913 2      C-13-H3C(O)CH3
  284955.4919  0.2474 -6.5242 3 1724.7798C88  595161404804238 1    804139 1      C-13-H3C(O)CH3
  284963.1332  0.2478 -6.5241 3 1724.7798C88  595161404804338 1    804239 1      C-13-H3C(O)CH3
  284964.2996  0.2478 -6.5242 3 1724.7832C88  595161404804238 2    804139 2      C-13-H3C(O)CH3
  284966.9861  0.0544 -5.6755 3 1158.9643A00  595161404625013 2    624914 2      C-13-H3C(O)CH3
  284969.5809  0.3029 -6.4761 3 1661.0400C24  595161404765422 2    765323 2      C-13-H3C(O)CH3
  284971.0895  0.2469 -6.5242 3 1724.7832C88  595161404804338 2    804239 2      C-13-H3C(O)CH3
  284976.0755  0.0829 -5.8620 3 1290.8955A64  595161404665116 2    665017 2      C-13-H3C(O)CH3
  284988.4395  0.2487 -6.5240 3 1724.7783C88  595161404804238 0    804139 0      C-13-H3C(O)CH3
  284994.5236  0.0102 -5.7734 3  261.1296600  59516140437 433 2    37 434 2      C-13-H3C(O)CH3
  284994.5236  0.0102 -5.7734 3  261.1296600  59516140437 533 2    37 334 2      C-13-H3C(O)CH3
  284994.5363  0.0102 -4.4768 3  261.1296600 -59516140437 433 2    37 334 2      C-13-H3C(O)CH3
  284994.5363  0.0102 -4.4768 3  261.1296600 -59516140437 533 2    37 434 2      C-13-H3C(O)CH3
  284995.3606  0.2492 -6.5240 3 1724.7783C88  595161404804338 0    804239 0      C-13-H3C(O)CH3
  284995.8726  0.0110 -6.2157 3  261.1301600  59516140437 533 1    37 434 1      C-13-H3C(O)CH3
  284995.8726  0.0110 -4.4631 3  261.1301600  59516140437 533 1    37 334 1      C-13-H3C(O)CH3
  284995.8726  0.0110 -6.2157 3  261.1301600  59516140437 433 1    37 334 1      C-13-H3C(O)CH3
  284995.8726  0.0110 -4.4631 3  261.1301600  59516140437 433 1    37 434 1      C-13-H3C(O)CH3
  285008.3361  0.0910 -5.8620 3 1290.9363A64  595161404665115 1    665016 1      C-13-H3C(O)CH3
  285010.9503  0.0614 -5.6754 3 1158.9976A00  595161404625012 1    624913 1      C-13-H3C(O)CH3
  285027.6530  0.0988 -5.8620 3 1290.9425A64  595161404665115 2    665016 2      C-13-H3C(O)CH3
  285028.2040  0.0835 -5.8619 3 1290.8920A64  595161404665116 1    665017 1      C-13-H3C(O)CH3
  285028.6485  0.0184 -6.7990 3  168.2329196  5951614042419 5 3    2416 9 3      C-13-H3C(O)CH3
  285051.4240  0.3612 -6.4758 3 1661.0171C24  595161404765422 0    765323 0      C-13-H3C(O)CH3
  285051.6305  0.3612 -6.4758 3 1661.0170C24  595161404765423 0    765324 0      C-13-H3C(O)CH3
  285059.6382  0.0569 -5.6754 3 1158.9662A00  595161404625013 1    624914 1      C-13-H3C(O)CH3
  285065.5995  0.0027 -5.0082 3   67.3628132  5951614041611 5 4    1510 5 4      C-13-H3C(O)CH3
  285073.6522  0.0137 -6.3859 3  168.2388392  5951614042419 6 2    2416 9 2      C-13-H3C(O)CH3
  285099.0015  0.0024 -5.1584 3   67.3238264  5951614041611 5 1    1510 5 1      C-13-H3C(O)CH3
  285100.0762  0.1441 -6.4122 3 1504.6860604  595161404753837 4    753738 4      C-13-H3C(O)CH3
  285100.1315  0.1441 -6.4122 3 1504.6860604  595161404753837 3    753738 3      C-13-H3C(O)CH3
  285100.7440  0.1440 -6.4122 3 1504.6860604  595161404753937 4    753838 4      C-13-H3C(O)CH3
  285100.8004  0.1440 -6.4122 3 1504.6860604  595161404753937 3    753838 3      C-13-H3C(O)CH3
  285121.1676  0.0042 -6.9858 3  168.2388408  595161404251511 2    2416 9 2      C-13-H3C(O)CH3
  285129.5153  0.0027 -5.2889 3   67.3199264  5951614041611 5 2    1510 5 2      C-13-H3C(O)CH3
  285130.3780  0.1481 -6.1111 3 1504.6722C08  595161404753837 1    753738 1      C-13-H3C(O)CH3
  285131.0438  0.1482 -6.1111 3 1504.6722C08  595161404753937 1    753838 1      C-13-H3C(O)CH3
  285134.6823  0.0478 -5.6752 3 1158.9652A00  595161404625013 0    624914 0      C-13-H3C(O)CH3
  285134.6823  0.0478 -5.6752 3 1158.9652A00  595161404625012 0    624913 0      C-13-H3C(O)CH3
  285136.4751  0.1468 -6.1111 3 1504.6755C08  595161404753837 2    753738 2      C-13-H3C(O)CH3
  285137.0561  0.1468 -6.1111 3 1504.6755C08  595161404753937 2    753838 2      C-13-H3C(O)CH3
  285165.6368  0.0668 -5.8353 3  518.8760348  595161404432815 4    432518 4      C-13-H3C(O)CH3
  285166.6805  0.1491 -6.1109 3 1504.6618C08  595161404753837 0    753738 0      C-13-H3C(O)CH3
  285167.2587  0.1492 -6.1109 3 1504.6618C08  595161404753937 0    753838 0      C-13-H3C(O)CH3
  285179.8630  0.0159 -6.9249 3  217.0108284  59516140435 333 3    35 134 3      C-13-H3C(O)CH3
  285179.8630  0.0159 -4.9613 3  217.0108284  59516140435 333 3    35 234 3      C-13-H3C(O)CH3
  285179.8630  0.0159 -4.9581 3  217.0108284  59516140435 233 3    35 134 3      C-13-H3C(O)CH3
  285180.2337  0.0168 -6.1860 3  217.0108284  59516140435 233 4    35 234 4      C-13-H3C(O)CH3
  285180.2337  0.0168 -6.1860 3  217.0108284  59516140435 333 4    35 134 4      C-13-H3C(O)CH3
  285180.2337  0.0168 -4.9830 3  217.0108284  59516140435 333 4    35 234 4      C-13-H3C(O)CH3
  285180.2337  0.0168 -4.9830 3  217.0108284  59516140435 233 4    35 134 4      C-13-H3C(O)CH3
  285196.4333  0.0839 -5.8615 3 1290.8994A64  595161404665116 0    665017 0      C-13-H3C(O)CH3
  285196.4333  0.0839 -5.8615 3 1290.8994A64  595161404665115 0    665016 0      C-13-H3C(O)CH3
  285229.5332  0.0083 -5.3662 3  689.7593856  595161404531934 0    531935 0      C-13-H3C(O)CH3
  285229.5332  0.0083 -4.8169 3  689.7593856  595161404531934 0    531835 0      C-13-H3C(O)CH3
  285229.5332  0.0083 -4.8169 3  689.7593856  595161404532034 0    531935 0      C-13-H3C(O)CH3
  285229.5332  0.0083 -5.3662 3  689.7593856  595161404532034 0    531835 0      C-13-H3C(O)CH3
  285294.1501  0.0095 -5.0084 3  689.7439856  595161404531934 1    531935 1      C-13-H3C(O)CH3
  285294.1501  0.0095 -4.7098 3  689.7439856  595161404531934 1    531835 1      C-13-H3C(O)CH3
  285294.1501  0.0095 -5.0237 3  689.7439856  595161404532034 1    531935 1      C-13-H3C(O)CH3
  285294.5694  0.0107 -4.9350 3  689.7434856  595161404531934 2    531935 2      C-13-H3C(O)CH3
  285294.5694  0.0107 -5.9129 3  689.7434856  595161404531934 2    531835 2      C-13-H3C(O)CH3
  285294.5694  0.0107 -5.0997 3  689.7434856  595161404532034 2    531935 2      C-13-H3C(O)CH3
  285294.5694  0.0107 -4.7366 3  689.7434856  595161404532034 2    531835 2      C-13-H3C(O)CH3
  285308.5223  0.0045 -6.6534 3  168.2369408  595161404251511 1    2416 9 1      C-13-H3C(O)CH3
  285312.4413  0.0095 -4.5752 3  261.1088600  59516140437 533 0    37 434 0      C-13-H3C(O)CH3
  285312.4413  0.0095 -4.5752 3  261.1088600  59516140437 433 0    37 334 0      C-13-H3C(O)CH3
  285312.4413  0.0095 -5.0682 3  261.1088600  59516140437 533 0    37 334 0      C-13-H3C(O)CH3
  285312.4413  0.0095 -5.0682 3  261.1088600  59516140437 433 0    37 434 0      C-13-H3C(O)CH3
  285318.6313  0.0143 -4.6204 3  238.7477584  59516140436 333 2    36 234 2      C-13-H3C(O)CH3
  285318.6313  0.0143 -5.2479 3  238.7477584  59516140436 433 2    36 234 2      C-13-H3C(O)CH3
  285318.7018  0.0143 -4.6204 3  238.7477584 -59516140436 433 2    36 334 2      C-13-H3C(O)CH3
  285318.7018  0.0143 -5.2479 3  238.7477584 -59516140436 333 2    36 334 2      C-13-H3C(O)CH3
  285319.6495  0.0153 -5.1883 3  238.7482584  59516140436 433 1    36 234 1      C-13-H3C(O)CH3
  285319.6495  0.0153 -4.6359 3  238.7482584  59516140436 433 1    36 334 1      C-13-H3C(O)CH3
  285319.6495  0.0153 -5.1883 3  238.7482584  59516140436 333 1    36 334 1      C-13-H3C(O)CH3
  285319.6495  0.0153 -4.6359 3  238.7482584  59516140436 333 1    36 234 1      C-13-H3C(O)CH3
  285359.2796  0.0105 -5.0717 3  689.7281428  595161404532034 3    531935 3      C-13-H3C(O)CH3
  285359.2796  0.0105 -5.8826 3  689.7281428  595161404532034 3    531835 3      C-13-H3C(O)CH3
  285359.2796  0.0105 -5.8057 3  689.7281428  595161404531934 3    531935 3      C-13-H3C(O)CH3
  285359.2796  0.0105 -5.0849 3  689.7281428  595161404531934 3    531835 3      C-13-H3C(O)CH3
  285359.3901  0.0106 -5.0133 3  689.7280428  595161404532034 4    531935 4      C-13-H3C(O)CH3
  285359.3901  0.0106 -5.0133 3  689.7280428  595161404531934 4    531835 4      C-13-H3C(O)CH3
  285394.8110  0.0196 -5.2192 3  195.8356276  59516140434 133 3    34 134 3      C-13-H3C(O)CH3
  285394.8110  0.0196 -6.8093 3  195.8356276  59516140434 233 3    34 134 3      C-13-H3C(O)CH3
  285394.8110  0.0196 -5.2192 3  195.8356276  59516140434 233 3    34 034 3      C-13-H3C(O)CH3
  285394.8110  0.0196 -6.8093 3  195.8356276  59516140434 133 3    34 034 3      C-13-H3C(O)CH3
  285395.5306  0.0205 -5.2180 3  195.8356276  59516140434 233 4    34 134 4      C-13-H3C(O)CH3
  285395.5306  0.0205 -6.8574 3  195.8356276  59516140434 233 4    34 034 4      C-13-H3C(O)CH3
  285395.5306  0.0205 -6.8574 3  195.8356276  59516140434 133 4    34 134 4      C-13-H3C(O)CH3
  285395.5306  0.0205 -5.2180 3  195.8356276  59516140434 133 4    34 034 4      C-13-H3C(O)CH3
  285437.6034  0.0070 -6.5403 3  168.2256204  595161404251511 4    2416 9 4      C-13-H3C(O)CH3
  285448.3368  0.0435 -5.5143 3 1007.7580920  5951614045749 8 2    5748 9 2      C-13-H3C(O)CH3
  285450.3062  0.0069 -6.1241 3  183.6305212  595161404261611 4    261314 4      C-13-H3C(O)CH3
  285450.3492  0.0567 -5.8153 3 1007.7837460  5951614045749 8 4    5748 9 4      C-13-H3C(O)CH3
  285451.6973  0.0119 -5.2550 3  244.4739472  5951614042922 8 0    2823 5 0      C-13-H3C(O)CH3
  285455.3065  0.0017 -3.9918 3  120.9654188 -59516140423 816 4    22 715 4      C-13-H3C(O)CH3
  285455.3065  0.0017 -3.9918 3  120.9654188 -59516140423 716 4    22 815 4      C-13-H3C(O)CH3
  285455.3065  0.0017 -3.9918 3  120.9654188 -59516140423 716 3    22 815 3      C-13-H3C(O)CH3
  285455.3065  0.0017 -3.9918 3  120.9654188 -59516140423 816 3    22 715 3      C-13-H3C(O)CH3
  285460.6509  0.0119 -5.2550 3  244.4739472  5951614042922 7 0    2823 6 0      C-13-H3C(O)CH3
  285466.0231  0.0061 -6.1241 3  183.6305212  595161404261611 3    261314 3      C-13-H3C(O)CH3
  285499.1563  0.0488 -5.8153 3 1007.7758460  5951614045749 8 3    5748 9 3      C-13-H3C(O)CH3
  285527.7668  0.0019 -3.6906 3  120.9481376 -59516140423 716 1    22 815 1      C-13-H3C(O)CH3
  285527.7668  0.0019 -3.6906 3  120.9481376 -59516140423 816 1    22 715 1      C-13-H3C(O)CH3
  285529.6097  0.0062 -5.8209 3  183.6346424  595161404261611 2    261314 2      C-13-H3C(O)CH3
  285529.7553  0.0019 -3.6907 3  120.9468376 -59516140423 716 2    22 815 2      C-13-H3C(O)CH3
  285529.7553  0.0019 -3.6907 3  120.9468376 -59516140423 816 2    22 715 2      C-13-H3C(O)CH3
  285541.3218  0.0062 -5.8214 3  183.6381424  595161404261611 1    261314 1      C-13-H3C(O)CH3
  285564.5640  0.0414 -5.5141 3 1007.7372920  5951614045749 9 2    574810 2      C-13-H3C(O)CH3
  285566.8279  0.0511 -5.8151 3 1007.7629460  5951614045749 9 3    574810 3      C-13-H3C(O)CH3
  285593.1071  0.0369 -5.5140 3 1007.7315920  5951614045749 8 0    574810 0      C-13-H3C(O)CH3
  285593.1071  0.0369 -5.5140 3 1007.7315920  5951614045749 9 0    5748 9 0      C-13-H3C(O)CH3
  285596.1224  0.0428 -5.5140 3 1007.7573920  5951614045749 8 1    5748 9 1      C-13-H3C(O)CH3
  285601.5247  0.0107 -5.2537 3  244.4535472  5951614042922 7 2    2823 5 2      C-13-H3C(O)CH3
  285602.1265  0.0017 -3.6906 3  120.9296376 -59516140423 816 0    22 715 0      C-13-H3C(O)CH3
  285602.1265  0.0017 -3.6906 3  120.9296376 -59516140423 716 0    22 815 0      C-13-H3C(O)CH3
  285611.3527  0.0063 -5.8190 3  183.6423424  595161404261611 0    261314 0      C-13-H3C(O)CH3
  285615.8344  0.0520 -5.8151 3 1007.7549460  5951614045749 9 4    574810 4      C-13-H3C(O)CH3
  285622.4889  0.0198 -4.6887 3  216.9599568  59516140435 333 2    35 234 2      C-13-H3C(O)CH3
  285622.4889  0.0198 -5.7656 3  216.9599568  59516140435 333 2    35 134 2      C-13-H3C(O)CH3
  285622.4889  0.0198 -4.6879 3  216.9599568  59516140435 233 2    35 234 2      C-13-H3C(O)CH3
  285622.4889  0.0198 -5.7750 3  216.9599568  59516140435 233 2    35 134 2      C-13-H3C(O)CH3
  285623.1439  0.0209 -5.0762 3  216.9603568  59516140435 333 1    35 234 1      C-13-H3C(O)CH3
  285623.1439  0.0209 -4.8603 3  216.9603568  59516140435 233 1    35 234 1      C-13-H3C(O)CH3
  285623.1439  0.0209 -5.0762 3  216.9603568  59516140435 233 1    35 134 1      C-13-H3C(O)CH3
  285623.1439  0.0209 -4.8603 3  216.9603568  59516140435 333 1    35 134 1      C-13-H3C(O)CH3
  285644.4292  0.0389 -5.5140 3 1007.7493920  5951614045749 9 1    574810 1      C-13-H3C(O)CH3
  285646.2771  0.0364 -5.5173 3  844.6071824  5951614045148 3 0    5147 4 0      C-13-H3C(O)CH3
  285646.2771  0.0364 -5.5173 3  844.6071824  5951614045148 4 0    5147 5 0      C-13-H3C(O)CH3
  285660.7182  0.0450 -5.5172 3  844.6105824  5951614045148 4 2    5147 5 2      C-13-H3C(O)CH3
  285683.9715  0.0240 -5.1910 3  992.0272A00  595161404622735 0    622636 0      C-13-H3C(O)CH3
  285683.9716  0.0240 -5.1910 3  992.0272A00  595161404622835 0    622736 0      C-13-H3C(O)CH3
  285688.5790  0.0736 -5.9574 3 1257.0049556  595161404693336 3    693237 3      C-13-H3C(O)CH3
  285688.5799  0.0736 -5.9574 3 1257.0049556  595161404693336 4    693237 4      C-13-H3C(O)CH3
  285688.5965  0.0736 -5.9574 3 1257.0049556  595161404693436 3    693337 3      C-13-H3C(O)CH3
  285688.5973  0.0736 -5.9574 3 1257.0049556  595161404693436 4    693337 4      C-13-H3C(O)CH3
  285696.2786  0.0135 -5.3146 3  238.7131584 -59516140436 333 0    36 334 0      C-13-H3C(O)CH3
  285696.2786  0.0135 -5.3146 3  238.7131584 -59516140436 433 0    36 234 0      C-13-H3C(O)CH3
  285696.3344  0.0135 -4.6044 3  238.7131584  59516140436 333 0    36 234 0      C-13-H3C(O)CH3
  285696.3344  0.0135 -4.6044 3  238.7131584  59516140436 433 0    36 334 0      C-13-H3C(O)CH3
  285704.3922  0.0705 -5.6563 3 1256.9856B12  595161404693336 1    693237 1      C-13-H3C(O)CH3
  285704.4088  0.0705 -5.6563 3 1256.9856B12  595161404693436 1    693337 1      C-13-H3C(O)CH3
  285705.3005  0.0258 -5.1909 3  992.0385A00  595161404622735 1    622636 1      C-13-H3C(O)CH3
  285705.3006  0.0258 -5.1909 3  992.0385A00  595161404622835 1    622736 1      C-13-H3C(O)CH3
  285708.9959  0.0245 -6.7340 3  196.2451212  5951614042620 7 4    2617 9 4      C-13-H3C(O)CH3
  285709.3539  0.0312 -5.1909 3  992.0394A00  595161404622735 2    622636 2      C-13-H3C(O)CH3
  285709.3540  0.0312 -5.1909 3  992.0394A00  595161404622835 2    622736 2      C-13-H3C(O)CH3
  285709.7149  0.0733 -5.6563 3 1256.9880B12  595161404693336 2    693237 2      C-13-H3C(O)CH3
  285709.7291  0.0733 -5.6563 3 1256.9880B12  595161404693436 2    693337 2      C-13-H3C(O)CH3
  285725.5390  0.0703 -5.6562 3 1256.9688B12  595161404693336 0    693237 0      C-13-H3C(O)CH3
  285725.5524  0.0703 -5.6562 3 1256.9688B12  595161404693436 0    693337 0      C-13-H3C(O)CH3
  285730.7440  0.0315 -5.4918 3  992.0507500  595161404622735 3    622636 3      C-13-H3C(O)CH3
  285730.7441  0.0315 -5.4918 3  992.0507500  595161404622835 3    622736 3      C-13-H3C(O)CH3
  285730.8380  0.0316 -5.4918 3  992.0507500  595161404622735 4    622636 4      C-13-H3C(O)CH3
  285730.8381  0.0316 -5.4918 3  992.0507500  595161404622835 4    622736 4      C-13-H3C(O)CH3
  285756.0713  0.0113 -5.2545 3  244.4134472  5951614042922 8 1    2823 6 1      C-13-H3C(O)CH3
  285795.4306  0.0113 -5.2536 3  244.4383472  5951614042922 7 1    2823 5 1      C-13-H3C(O)CH3
  285822.9374  0.0398 -5.5172 3  844.6542824  5951614045148 3 1    5147 4 1      C-13-H3C(O)CH3
  285830.9948  0.0114 -5.2535 3  244.4279472  5951614042922 8 2    2823 6 2      C-13-H3C(O)CH3
  285837.7223  0.0580 -5.8180 3  844.6575412  5951614045148 4 3    5147 4 3      C-13-H3C(O)CH3
  285843.6417  0.0426 -5.5169 3  844.6292824  5951614045148 4 1    5147 5 1      C-13-H3C(O)CH3
  285857.7575  0.0640 -5.8178 3  844.6325412  5951614045148 4 4    5147 5 4      C-13-H3C(O)CH3
  285864.5326  0.0291 -6.8825 3  205.7753220  5951614042719 8 4    2620 7 4      C-13-H3C(O)CH3
  285867.8673  0.0425 -5.5170 3  844.6329824  5951614045148 3 2    5147 4 2      C-13-H3C(O)CH3
  285899.2361  0.0119 -5.5543 3  244.3929236  5951614042922 8 3    2823 5 3      C-13-H3C(O)CH3
  285907.2733  0.0269 -4.9292 3  195.7669552  59516140434 133 2    34 134 2      C-13-H3C(O)CH3
  285907.2733  0.0269 -6.1707 3  195.7669552  59516140434 233 2    34 134 2      C-13-H3C(O)CH3
  285907.2733  0.0269 -4.9292 3  195.7669552  59516140434 233 2    34 034 2      C-13-H3C(O)CH3
  285907.2733  0.0269 -6.1707 3  195.7669552  59516140434 133 2    34 034 2      C-13-H3C(O)CH3
  285907.5412  0.0279 -4.9075 3  195.7673552  59516140434 233 1    34 034 1      C-13-H3C(O)CH3
  285907.5412  0.0279 -4.9075 3  195.7673552  59516140434 133 1    34 134 1      C-13-H3C(O)CH3
  285915.7872  0.0046 -5.1183 3   41.7493108  59516140413 9 5 4    12 6 6 4      C-13-H3C(O)CH3
  285941.2278  0.0145 -5.5532 3  244.4178236  5951614042922 7 4    2823 5 4      C-13-H3C(O)CH3
  285988.7414  0.0073 -6.5708 3  129.6635360  5951614042213 9 2    2114 7 2      C-13-H3C(O)CH3
  285995.8467  0.0039 -5.0089 3   40.1161108  59516140413 8 6 4    12 5 7 4      C-13-H3C(O)CH3
  286035.8679  0.0076 -4.6667 3  657.9827840  595161404521934 0    521735 0      C-13-H3C(O)CH3
  286035.8679  0.0076 -6.6574 3  657.9827840  595161404521834 0    521735 0      C-13-H3C(O)CH3
  286035.8679  0.0076 -4.6667 3  657.9827840  595161404521834 0    521835 0      C-13-H3C(O)CH3
  286035.8679  0.0076 -6.6574 3  657.9827840  595161404521934 0    521835 0      C-13-H3C(O)CH3
  286046.3169  0.0566 -5.8179 3  844.6798412  5951614045148 3 4    5147 4 4      C-13-H3C(O)CH3
  286047.8850  0.0033 -5.0086 3   40.1159108  59516140413 8 6 3    12 5 7 3      C-13-H3C(O)CH3
  286064.7321  0.0190 -4.7938 3  216.9095568  59516140435 333 0    35 134 0      C-13-H3C(O)CH3
  286064.7321  0.0190 -5.2071 3  216.9095568  59516140435 333 0    35 234 0      C-13-H3C(O)CH3
  286064.7321  0.0190 -4.7938 3  216.9095568  59516140435 233 0    35 234 0      C-13-H3C(O)CH3
  286064.7321  0.0190 -5.2071 3  216.9095568  59516140435 233 0    35 134 0      C-13-H3C(O)CH3
  286065.9968  0.0594 -5.8176 3  844.6548412  5951614045148 3 3    5147 5 3      C-13-H3C(O)CH3
  286082.1307  0.0099 -6.1820 3  129.6799180  5951614042213 9 4    2114 7 4      C-13-H3C(O)CH3
  286099.6417  0.0096 -5.0806 3  657.9634840  595161404521834 2    521835 2      C-13-H3C(O)CH3
  286099.6417  0.0096 -4.8707 3  657.9634840  595161404521834 2    521735 2      C-13-H3C(O)CH3
  286099.6417  0.0096 -4.8707 3  657.9634840  595161404521934 2    521835 2      C-13-H3C(O)CH3
  286099.6417  0.0096 -5.0806 3  657.9634840  595161404521934 2    521735 2      C-13-H3C(O)CH3
  286099.6532  0.0088 -4.6877 3  657.9639840  595161404521934 1    521735 1      C-13-H3C(O)CH3
  286099.6532  0.0088 -4.6936 3  657.9639840  595161404521834 1    521835 1      C-13-H3C(O)CH3
  286125.6578  0.0127 -5.5541 3  244.3674236  5951614042922 8 4    2823 6 4      C-13-H3C(O)CH3
  286140.5119  0.0118 -6.1510 3  168.2465392  5951614042419 6 0    2416 9 0      C-13-H3C(O)CH3
  286163.5189  0.0096 -4.9700 3  657.9446420  595161404521934 3    521735 3      C-13-H3C(O)CH3
  286163.5189  0.0096 -6.7433 3  657.9446420  595161404521934 3    521835 3      C-13-H3C(O)CH3
  286163.5189  0.0096 -6.7433 3  657.9446420  595161404521834 3    521735 3      C-13-H3C(O)CH3
  286163.5189  0.0096 -4.9700 3  657.9446420  595161404521834 3    521835 3      C-13-H3C(O)CH3
  286163.6096  0.0097 -4.9641 3  657.9446420  595161404521834 4    521735 4      C-13-H3C(O)CH3
  286163.6096  0.0097 -4.9641 3  657.9446420  595161404521934 4    521835 4      C-13-H3C(O)CH3
  286168.1396  0.0114 -5.5532 3  244.3921236  5951614042922 7 3    2823 6 3      C-13-H3C(O)CH3
  286168.4961  0.0027 -6.7920 3   65.2119132  5951614041610 7 4    15 9 7 4      C-13-H3C(O)CH3
  286213.1644  0.0158 -6.5680 3  168.2369392  5951614042419 5 1    2416 9 1      C-13-H3C(O)CH3
  286214.3522  0.0074 -6.3331 3  129.6679360  5951614042213 9 1    2114 7 1      C-13-H3C(O)CH3
  286271.4180  0.0034 -4.7070 3   40.0655216  59516140413 8 6 1    12 5 7 1      C-13-H3C(O)CH3
  286280.9656  0.0407 -6.9849 3  396.2939568  5951614043533 2 1    3434 0 1      C-13-H3C(O)CH3
  286281.9362  0.0053 -6.9625 3   28.1183 92  59516140411 8 4 4    10 5 6 4      C-13-H3C(O)CH3
  286282.3261  0.0037 -4.7072 3   40.0640216  59516140413 8 6 2    12 5 7 2      C-13-H3C(O)CH3
  286308.3183  0.1214 -6.3304 3 1397.5002556  595161404695218 4    695119 4      C-13-H3C(O)CH3
  286311.1603  0.1356 -6.3305 3 1397.5504556  595161404695217 3    695118 3      C-13-H3C(O)CH3
  286341.8407  0.3534 -6.8712 3 1908.8517D52  595161404844539 1    844440 1      C-13-H3C(O)CH3
  286351.2952  0.0046 -5.0960 3   41.7485108  59516140413 9 5 3    12 6 6 3      C-13-H3C(O)CH3
  286355.6148  0.3640 -6.8712 3 1908.8544D52  595161404844539 2    844440 2      C-13-H3C(O)CH3
  286358.9563  0.0022 -7.0020 3   65.1781264  5951614041610 7 1    15 9 7 1      C-13-H3C(O)CH3
  286365.7433  0.3543 -6.8711 3 1908.8569D52  595161404844539 0    844440 0      C-13-H3C(O)CH3
  286373.4597  0.3542 -6.8711 3 1908.8519D52  595161404844639 1    844540 1      C-13-H3C(O)CH3
  286384.0186  0.3593 -6.8711 3 1908.8546D52  595161404844639 2    844540 2      C-13-H3C(O)CH3
  286384.6186  0.1365 -6.3304 3 1397.5477556  595161404695218 3    695119 3      C-13-H3C(O)CH3
  286387.1667  0.1515 -6.3304 3 1397.5979556  595161404695217 4    695118 4      C-13-H3C(O)CH3
  286395.0615  0.3553 -6.8711 3 1908.8571D52  595161404844639 0    844540 0      C-13-H3C(O)CH3
  286413.0115  0.0156 -6.5319 3  168.2388392  5951614042419 5 2    2416 9 2      C-13-H3C(O)CH3
  286417.5104  0.0018 -3.9360 3  125.8731196 -59516140424 718 4    23 617 4      C-13-H3C(O)CH3
  286417.5104  0.0017 -3.9360 3  125.8731196 -59516140424 718 3    23 617 3      C-13-H3C(O)CH3
  286417.5104  0.0017 -3.9360 3  125.8731196 -59516140424 618 3    23 717 3      C-13-H3C(O)CH3
  286417.5104  0.0018 -3.9360 3  125.8731196 -59516140424 618 4    23 717 4      C-13-H3C(O)CH3
  286418.7213  0.0261 -4.9384 3  195.6988552  59516140434 233 0    34 134 0      C-13-H3C(O)CH3
  286418.7213  0.0261 -6.0094 3  195.6988552  59516140434 133 0    34 134 0      C-13-H3C(O)CH3
  286418.7213  0.0261 -6.0094 3  195.6988552  59516140434 233 0    34 034 0      C-13-H3C(O)CH3
  286418.7213  0.0261 -4.9384 3  195.6988552  59516140434 133 0    34 034 0      C-13-H3C(O)CH3
  286482.2834  0.0020 -3.6348 3  125.8534392 -59516140424 718 1    23 617 1      C-13-H3C(O)CH3
  286482.2834  0.0020 -3.6348 3  125.8534392 -59516140424 618 1    23 717 1      C-13-H3C(O)CH3
  286483.5186  0.0020 -3.6349 3  125.8524392 -59516140424 718 2    23 617 2      C-13-H3C(O)CH3
  286483.5186  0.0020 -3.6349 3  125.8524392 -59516140424 618 2    23 717 2      C-13-H3C(O)CH3
  286528.3636  0.1198 -6.0289 3 1397.5127B12  595161404695218 2    695119 2      C-13-H3C(O)CH3
  286529.4949  0.0225 -6.5932 3   63.9670124  5951614041513 3 3    1412 2 3      C-13-H3C(O)CH3
  286530.6766  0.0382 -6.9831 3  396.3011568  5951614043533 3 0    3434 0 0      C-13-H3C(O)CH3
  286530.6766  0.0382 -6.9831 3  396.3011568  5951614043533 2 0    3434 1 0      C-13-H3C(O)CH3
  286531.6660  0.0037 -4.7065 3   40.0136216  59516140413 8 6 0    12 5 7 0      C-13-H3C(O)CH3
  286535.7042  0.1166 -6.0289 3 1397.5077B12  595161404695218 1    695119 1      C-13-H3C(O)CH3
  286538.3153  0.1324 -6.0290 3 1397.5578B12  595161404695217 1    695118 1      C-13-H3C(O)CH3
  286538.5167  0.0047 -4.8031 3   41.6994216  59516140413 9 5 1    12 6 6 1      C-13-H3C(O)CH3
  286547.2297  0.0201 -6.6752 3  677.4467824  595161404512328 1    502625 1      C-13-H3C(O)CH3
  286548.1442  0.0018 -3.6347 3  125.8328392 -59516140424 718 0    23 617 0      C-13-H3C(O)CH3
  286548.1442  0.0018 -3.6347 3  125.8328392 -59516140424 618 0    23 717 0      C-13-H3C(O)CH3
  286554.3064  0.0252 -6.9748 3  677.4364412  595161404512328 4    502625 4      C-13-H3C(O)CH3
  286554.3735  0.0251 -6.9748 3  677.4364412  595161404512328 3    502625 3      C-13-H3C(O)CH3
  286558.6497  0.0165 -6.6755 3  677.4555824  595161404512328 0    502625 0      C-13-H3C(O)CH3
  286559.8604  0.0200 -6.6752 3  677.4462824  595161404512428 1    502525 1      C-13-H3C(O)CH3
  286565.8723  0.0235 -6.6739 3  677.4452824  595161404512328 2    502625 2      C-13-H3C(O)CH3
  286567.8928  0.0253 -6.9748 3  677.4359412  595161404512428 4    502525 4      C-13-H3C(O)CH3
  286568.0076  0.0252 -6.9748 3  677.4360412  595161404512428 3    502525 3      C-13-H3C(O)CH3
  286570.4968  0.0165 -6.6754 3  677.4551824  595161404512428 0    502525 0      C-13-H3C(O)CH3
  286578.6568  0.0236 -6.6739 3  677.4448824  595161404512428 2    502525 2      C-13-H3C(O)CH3
  286590.1565  0.0238 -6.9568 3  168.2256196  5951614042419 5 4    2416 9 4      C-13-H3C(O)CH3
  286597.2441  0.0397 -6.9842 3  396.2668568  5951614043533 2 2    3434 0 2      C-13-H3C(O)CH3
  286604.3339  0.1359 -6.0289 3 1397.5602B12  595161404695217 2    695118 2      C-13-H3C(O)CH3
  286615.6154  0.0310 -6.4316 3  366.9513552  5951614043431 3 1    3332 1 1      C-13-H3C(O)CH3
  286622.0194  0.0411 -5.5873 3  820.7237808  5951614045048 3 0    5047 4 0      C-13-H3C(O)CH3
  286622.0194  0.0411 -5.5873 3  820.7237808  5951614045048 2 0    5047 3 0      C-13-H3C(O)CH3
  286628.5429  0.0159 -6.3986 3  196.2540424  5951614042620 7 1    2617 9 1      C-13-H3C(O)CH3
  286657.4993  0.0794 -5.9440 3 1129.6628492  595161404615011 4    614912 4      C-13-H3C(O)CH3
  286671.5579  0.0054 -4.8032 3   41.6963216  59516140413 9 5 2    12 6 6 2      C-13-H3C(O)CH3
  286687.3640  0.0522 -5.5870 3  820.7235808  5951614045048 3 2    5047 4 2      C-13-H3C(O)CH3
  286691.8520  0.0033 -3.9891 3   63.8871124  5951614041513 3 4    1412 3 4      C-13-H3C(O)CH3
  286702.9068  0.0651 -5.9439 3 1129.6249492  595161404615012 3    614913 3      C-13-H3C(O)CH3
  286710.8436  0.0030 -3.9900 3   63.9670124  5951614041513 2 3    1412 2 3      C-13-H3C(O)CH3
  286714.2445  0.0689 -5.9439 3 1129.6359492  595161404615011 3    614912 3      C-13-H3C(O)CH3
  286717.9442  0.0442 -6.9833 3  396.2282568  5951614043533 3 1    3434 1 1      C-13-H3C(O)CH3
  286730.3077  0.0032 -3.9898 3   63.9603124  5951614041513 3 3    1412 3 3      C-13-H3C(O)CH3
  286744.2299  0.0308 -6.4302 3  366.9767552  5951614043431 4 0    3332 1 0      C-13-H3C(O)CH3
  286744.2299  0.0308 -6.4302 3  366.9767552  5951614043431 3 0    3332 2 0      C-13-H3C(O)CH3
  286750.0784  0.0026 -3.9885 3   64.0403124  5951614041513 2 4    1412 2 4      C-13-H3C(O)CH3
  286755.0926  0.0617 -5.6427 3 1129.6326984  595161404615011 2    614912 2      C-13-H3C(O)CH3
  286755.3487  0.1319 -6.0285 3 1397.5202B12  595161404695217 0    695118 0      C-13-H3C(O)CH3
  286755.3493  0.1319 -6.0285 3 1397.5202B12  595161404695218 0    695119 0      C-13-H3C(O)CH3
  286759.5908  0.0663 -5.9438 3 1129.5979492  595161404615012 4    614913 4      C-13-H3C(O)CH3
  286787.4741  0.0217 -6.6842 3  196.2429212  5951614042620 7 3    2617 9 3      C-13-H3C(O)CH3
  286797.9424  0.0070 -6.6440 3  626.7844824  595161404511834 0    511635 0      C-13-H3C(O)CH3
  286797.9424  0.0070 -4.6224 3  626.7844824  595161404511834 0    511735 0      C-13-H3C(O)CH3
  286797.9424  0.0070 -6.6440 3  626.7844824  595161404511734 0    511735 0      C-13-H3C(O)CH3
  286797.9424  0.0070 -4.6224 3  626.7844824  595161404511734 0    511635 0      C-13-H3C(O)CH3
  286800.4858  0.0515 -5.6426 3 1129.5947984  595161404615012 2    614913 2      C-13-H3C(O)CH3
  286813.7126  0.0461 -5.5871 3  820.7774808  5951614045048 2 1    5047 3 1      C-13-H3C(O)CH3
  286822.3477  0.0328 -6.7330 3  366.9076276  5951614043431 3 4    3332 1 4      C-13-H3C(O)CH3
  286839.6903  0.0578 -5.6426 3 1129.6260984  595161404615011 1    614912 1      C-13-H3C(O)CH3
  286854.0432  0.0421 -5.5037 3  980.8945904  5951614045649 7 2    5648 8 2      C-13-H3C(O)CH3
  286858.1631  0.0087 -6.0441 3  626.7619824  595161404511734 2    511635 2      C-13-H3C(O)CH3
  286858.1631  0.0087 -4.6346 3  626.7619824  595161404511834 2    511635 2      C-13-H3C(O)CH3
  286858.1631  0.0087 -6.0491 3  626.7619824  595161404511834 2    511735 2      C-13-H3C(O)CH3
  286858.1631  0.0087 -4.6344 3  626.7619824  595161404511734 2    511735 2      C-13-H3C(O)CH3
  286858.5822  0.0082 -4.6763 3  626.7625824  595161404511834 1    511735 1      C-13-H3C(O)CH3
  286858.5822  0.0082 -4.6763 3  626.7625824  595161404511734 1    511635 1      C-13-H3C(O)CH3
  286858.5822  0.0082 -5.5191 3  626.7625824  595161404511734 1    511735 1      C-13-H3C(O)CH3
  286858.5822  0.0082 -5.5191 3  626.7625824  595161404511834 1    511635 1      C-13-H3C(O)CH3
  286860.3899  0.0488 -5.5868 3  820.7470808  5951614045048 3 1    5047 4 1      C-13-H3C(O)CH3
  286879.7598  0.0675 -5.8879 3  820.7770404  5951614045048 3 3    5047 4 3      C-13-H3C(O)CH3
  286893.7672  0.0551 -5.8047 3  980.9192452  5951614045649 7 4    5648 8 4      C-13-H3C(O)CH3
  286896.1102  0.0528 -5.6425 3 1129.5991984  595161404615012 1    614913 1      C-13-H3C(O)CH3
  286900.4542  0.0512 -5.5868 3  820.7558808  5951614045048 2 2    5047 3 2      C-13-H3C(O)CH3
  286910.8826  0.0830 -7.0010 3  631.8694776  595161404482821 2    473116 2      C-13-H3C(O)CH3
  286911.6564  0.0224 -6.5923 3   63.9603124  5951614041513 2 3    1412 3 3      C-13-H3C(O)CH3
  286918.8907  0.0089 -4.9196 3  626.7400412  595161404511834 3    511635 3      C-13-H3C(O)CH3
  286918.8907  0.0089 -4.9196 3  626.7400412  595161404511734 3    511735 3      C-13-H3C(O)CH3
  286918.9551  0.0089 -6.5095 3  626.7400412  595161404511834 4    511635 4      C-13-H3C(O)CH3
  286918.9551  0.0089 -5.7200 3  626.7400412  595161404511734 4    511635 4      C-13-H3C(O)CH3
  286918.9551  0.0089 -6.5116 3  626.7400412  595161404511834 4    511735 4      C-13-H3C(O)CH3
  286924.5954  0.0202 -5.1262 3  955.0655984  595161404612635 0    612536 0      C-13-H3C(O)CH3
  286924.5955  0.0202 -5.1262 3  955.0655984  595161404612735 0    612636 0      C-13-H3C(O)CH3
  286925.8665  0.0741 -5.8876 3  820.7466404  5951614045048 3 4    5047 4 4      C-13-H3C(O)CH3
  286932.7036  0.0029 -3.6869 3   63.9045248 -5951614041513 3 1    1412 3 1      C-13-H3C(O)CH3
  286933.6697  0.0473 -5.8047 3  980.9169452  5951614045649 7 3    5648 8 3      C-13-H3C(O)CH3
  286936.5016  0.0441 -5.6424 3 1129.5958984  595161404615011 0    614913 0      C-13-H3C(O)CH3
  286936.5016  0.0441 -5.6424 3 1129.5958984  595161404615012 0    614912 0      C-13-H3C(O)CH3
  286950.7277  0.0304 -6.4305 3  366.9329552  5951614043431 3 2    3332 1 2      C-13-H3C(O)CH3
  286952.7232  0.0025 -3.6867 3   63.9843248 -5951614041513 2 1    1412 2 1      C-13-H3C(O)CH3
  286953.8315  0.0222 -5.1261 3  955.0745984  595161404612635 1    612536 1      C-13-H3C(O)CH3
  286953.8315  0.0222 -5.1261 3  955.0745984  595161404612735 1    612636 1      C-13-H3C(O)CH3
  286957.5573  0.0274 -5.1261 3  955.0752984  595161404612635 2    612536 2      C-13-H3C(O)CH3
  286957.5573  0.0274 -5.1261 3  955.0752984  595161404612735 2    612636 2      C-13-H3C(O)CH3
  286960.9328  0.0027 -3.6868 3   63.9149248 -5951614041513 3 2    1412 3 2      C-13-H3C(O)CH3
  286975.6647  0.0375 -5.5035 3  980.8724904  5951614045649 7 0    5648 9 0      C-13-H3C(O)CH3
  286975.6647  0.0375 -5.5035 3  980.8724904  5951614045649 8 0    5648 8 0      C-13-H3C(O)CH3
  286986.8611  0.0275 -5.4269 3  955.0842492  595161404612635 3    612536 3      C-13-H3C(O)CH3
  286986.8612  0.0275 -5.4269 3  955.0842492  595161404612735 3    612636 3      C-13-H3C(O)CH3
  286986.9685  0.0276 -5.4269 3  955.0842492  595161404612635 4    612536 4      C-13-H3C(O)CH3
  286986.9686  0.0276 -5.4269 3  955.0842492  595161404612735 4    612636 4      C-13-H3C(O)CH3
  286994.8672  0.0404 -5.5035 3  980.8802904  5951614045649 8 2    5648 9 2      C-13-H3C(O)CH3
  286997.5238  0.0887 -6.1189 3 1259.5386524  595161404655115 3    655016 3      C-13-H3C(O)CH3
  287000.0156  0.0028 -3.6864 3   63.9881248 -5951614041513 2 2    1412 2 2      C-13-H3C(O)CH3
  287005.1549  0.0068 -6.8372 3   68.5279280  59516140417 710 2    17 413 2      C-13-H3C(O)CH3
  287016.3983  0.0416 -5.5035 3  980.8972904  5951614045649 7 1    5648 8 1      C-13-H3C(O)CH3
  287020.3816  0.1114 -6.1190 3 1259.5853524  595161404655114 4    655015 4      C-13-H3C(O)CH3
  287021.0591  0.0343 -6.4298 3  366.9021552  5951614043431 4 1    3332 2 1      C-13-H3C(O)CH3
  287033.7717  0.0204 -6.5969 3  196.2429212  5951614042620 6 3    2617 9 3      C-13-H3C(O)CH3
  287035.0153  0.0500 -5.8045 3  980.9049452  5951614045649 8 3    5648 9 3      C-13-H3C(O)CH3
  287037.3523  0.0851 -6.1188 3 1259.4970524  595161404655115 4    655016 4      C-13-H3C(O)CH3
  287038.0197  0.0068 -6.8381 3   68.5286280  59516140417 710 1    17 413 1      C-13-H3C(O)CH3
  287054.5904  0.0407 -6.9814 3  396.2243568  5951614043533 3 2    3434 1 2      C-13-H3C(O)CH3
  287055.6884  0.0377 -5.5035 3  980.8949904  5951614045649 8 1    5648 9 1      C-13-H3C(O)CH3
  287060.4664  0.0983 -6.1188 3 1259.5437524  595161404655114 3    655015 3      C-13-H3C(O)CH3
  287068.9067  0.0068 -6.8370 3   68.5279280  59516140417 810 2    17 513 2      C-13-H3C(O)CH3
  287075.1357  0.0504 -5.8045 3  980.9025452  5951614045649 8 4    5648 9 4      C-13-H3C(O)CH3
  287087.7380  0.0045 -4.7980 3   41.6469216  59516140413 9 5 0    12 6 6 0      C-13-H3C(O)CH3
  287094.4174  0.0659 -5.8877 3  820.8093404  5951614045048 2 4    5047 3 4      C-13-H3C(O)CH3
  287100.0159  0.0067 -6.8379 3   68.5286280  59516140417 810 1    17 513 1      C-13-H3C(O)CH3
  287125.8144  0.0072 -6.0043 3  153.1496392  595161404241311 2    241014 2      C-13-H3C(O)CH3
  287132.4622  0.0335 -6.7307 3  366.8832276  5951614043431 3 3    3332 1 3      C-13-H3C(O)CH3
  287140.2142  0.0700 -5.8874 3  820.7789404  5951614045048 2 3    5047 3 3      C-13-H3C(O)CH3
  287171.4415  0.0727 -5.8175 3 1259.5042A48  595161404655115 2    655016 2      C-13-H3C(O)CH3
  287174.1411  0.0080 -6.3080 3  153.1540196  595161404241311 3    241014 3      C-13-H3C(O)CH3
  287186.7697  0.0196 -6.4427 3  209.1635220  5951614042720 8 4    271711 4      C-13-H3C(O)CH3
  287187.4222  0.0102 -6.3080 3  153.1541196  595161404241311 4    241014 4      C-13-H3C(O)CH3
  287192.4879  0.0025 -3.6857 3   63.9324248 -5951614041513 3 0    1412 2 0      C-13-H3C(O)CH3
  287194.2544  0.0905 -5.8175 3 1259.5508A48  595161404655114 2    655015 2      C-13-H3C(O)CH3
  287201.6482  0.0822 -5.8175 3 1259.5437A48  595161404655114 1    655015 1      C-13-H3C(O)CH3
  287210.9930  0.0025 -3.6856 3   63.9320248 -5951614041513 2 0    1412 3 0      C-13-H3C(O)CH3
  287226.4846  0.0335 -6.7312 3  366.8585276  5951614043431 4 3    3332 2 3      C-13-H3C(O)CH3
  287241.5413  0.0757 -5.8174 3 1259.5021A48  595161404655115 1    655016 1      C-13-H3C(O)CH3
  287249.5738  0.0067 -6.0022 3  153.1478392  595161404241311 0    241014 0      C-13-H3C(O)CH3
  287261.2190  0.0314 -6.4282 3  366.9084552  5951614043431 4 2    3332 2 2      C-13-H3C(O)CH3
  287264.8959  0.0164 -6.3753 3  196.2486424  5951614042620 7 2    2617 9 2      C-13-H3C(O)CH3
  287302.8216  0.0072 -6.0050 3  153.1522392  595161404241311 1    241014 1      C-13-H3C(O)CH3
  287309.7414  0.1269 -6.3254 3 1460.3840596  595161404743737 4    743638 4      C-13-H3C(O)CH3
  287309.7891  0.1269 -6.3254 3 1460.3840596  595161404743737 3    743638 3      C-13-H3C(O)CH3
  287309.9982  0.1269 -6.3254 3 1460.3840596  595161404743837 4    743738 4      C-13-H3C(O)CH3
  287310.0465  0.1269 -6.3254 3 1460.3840596  595161404743837 3    743738 3      C-13-H3C(O)CH3
  287330.6687  0.0242 -6.0553 3  338.9172536  5951614043329 4 1    3230 2 1      C-13-H3C(O)CH3
  287332.5294  0.5313 -6.8496 3 1869.9386D04  595161404815626 1    815527 1      C-13-H3C(O)CH3
  287339.1651  0.1303 -6.0243 3 1460.3686B92  595161404743737 1    743638 1      C-13-H3C(O)CH3
  287339.4199  0.1304 -6.0243 3 1460.3686B92  595161404743837 1    743738 1      C-13-H3C(O)CH3
  287341.2300  0.0248 -6.0543 3  338.9570536  5951614043329 5 0    3230 2 0      C-13-H3C(O)CH3
  287341.2300  0.0248 -6.0543 3  338.9570536  5951614043329 4 0    3230 3 0      C-13-H3C(O)CH3
  287344.7385  0.1292 -6.0243 3 1460.3717B92  595161404743737 2    743638 2      C-13-H3C(O)CH3
  287344.9583  0.1292 -6.0243 3 1460.3717B92  595161404743837 2    743738 2      C-13-H3C(O)CH3
  287346.2461  0.0462 -6.9699 3  631.8582776  595161404482821 1    473116 1      C-13-H3C(O)CH3
  287349.7693  0.0211 -5.5011 3  490.0601680  595161404422616 2    422319 2      C-13-H3C(O)CH3
  287357.9501  0.1636 -6.5134 3 1508.6993580  595161404725320 4    725221 4      C-13-H3C(O)CH3
  287370.6987  0.0065 -6.8333 3   68.4850280  59516140417 710 0    17 413 0      C-13-H3C(O)CH3
  287374.0836  0.1312 -6.0241 3 1460.3564B92  595161404743737 0    743638 0      C-13-H3C(O)CH3
  287374.3011  0.1312 -6.0241 3 1460.3564B92  595161404743837 0    743738 0      C-13-H3C(O)CH3
  287375.0708  0.0701 -5.8171 3 1259.5092A48  595161404655115 0    655016 0      C-13-H3C(O)CH3
  287375.0708  0.0701 -5.8171 3 1259.5092A48  595161404655114 0    655015 0      C-13-H3C(O)CH3
  287376.3341  0.0172 -5.4814 3  186.3578212  595161404261710 4    2518 7 4      C-13-H3C(O)CH3
  287389.7870  0.1866 -6.5134 3 1508.7518580  595161404725319 3    725220 3      C-13-H3C(O)CH3
  287401.5188  0.0646 -5.8804 3 1216.0658548  595161404683236 3    683137 3      C-13-H3C(O)CH3
  287401.5249  0.0646 -5.8804 3 1216.0658548  595161404683336 3    683237 3      C-13-H3C(O)CH3
  287401.5338  0.0647 -5.8804 3 1216.0658548  595161404683236 4    683137 4      C-13-H3C(O)CH3
  287401.5398  0.0646 -5.8804 3 1216.0658548  595161404683336 4    683237 4      C-13-H3C(O)CH3
  287402.9038  0.0165 -5.5034 3  490.0881680  595161404422616 0    422319 0      C-13-H3C(O)CH3
  287411.9897  0.0605 -5.5794 3 1216.0465A96  595161404683236 1    683137 1      C-13-H3C(O)CH3
  287411.9955  0.0605 -5.5794 3 1216.0465A96  595161404683336 1    683237 1      C-13-H3C(O)CH3
  287414.7461  0.0247 -5.8011 3  490.0388340  595161404422616 3    422319 3      C-13-H3C(O)CH3
  287417.1542  0.0640 -5.5794 3 1216.0486A96  595161404683236 2    683137 2      C-13-H3C(O)CH3
  287417.1590  0.0640 -5.5794 3 1216.0486A96  595161404683336 2    683237 2      C-13-H3C(O)CH3
  287427.6456  0.0601 -5.5793 3 1216.0294A96  595161404683236 0    683137 0      C-13-H3C(O)CH3
  287427.6502  0.0601 -5.5793 3 1216.0294A96  595161404683336 0    683237 0      C-13-H3C(O)CH3
  287434.0220  0.0214 -5.8014 3  490.0388340  595161404422616 4    422319 4      C-13-H3C(O)CH3
  287435.2677  0.0065 -6.8332 3   68.4850280  59516140417 810 0    17 513 0      C-13-H3C(O)CH3
  287442.8405  0.0018 -3.8871 3  130.2224204  59516140425 520 3    24 619 3      C-13-H3C(O)CH3
  287442.8757  0.0019 -3.8871 3  130.2224204 -59516140425 520 4    24 619 4      C-13-H3C(O)CH3
  287442.8757  0.0018 -3.8871 3  130.2224204 -59516140425 620 3    24 519 3      C-13-H3C(O)CH3
  287442.8757  0.0019 -3.8871 3  130.2224204 -59516140425 620 4    24 519 4      C-13-H3C(O)CH3
  287445.9786  0.1740 -6.5133 3 1508.7442580  595161404725320 3    725221 3      C-13-H3C(O)CH3
  287474.9142  0.0180 -5.5025 3  490.0668680  595161404422616 1    422319 1      C-13-H3C(O)CH3
  287475.9016  0.5607 -6.8495 3 1869.9790D04  595161404815625 1    815526 1      C-13-H3C(O)CH3
  287477.6111  0.1938 -6.5134 3 1508.7969580  595161404725319 4    725220 4      C-13-H3C(O)CH3
  287500.4205  0.0021 -3.5860 3  130.1990408 -59516140425 620 1    24 519 1      C-13-H3C(O)CH3
  287500.4380  0.0021 -3.5860 3  130.1990408  59516140425 520 1    24 619 1      C-13-H3C(O)CH3
  287501.1191  0.0021 -3.5860 3  130.1982408 -59516140425 620 2    24 519 2      C-13-H3C(O)CH3
  287501.1191  0.0021 -3.5861 3  130.1982408 -59516140425 520 2    24 619 2      C-13-H3C(O)CH3
  287518.7157  0.0064 -4.7795 3  596.1655808  595161404501634 0    501535 0      C-13-H3C(O)CH3
  287518.7157  0.0064 -5.0057 3  596.1655808  595161404501634 0    501635 0      C-13-H3C(O)CH3
  287518.7157  0.0064 -5.0057 3  596.1655808  595161404501734 0    501535 0      C-13-H3C(O)CH3
  287518.7157  0.0064 -4.7795 3  596.1655808  595161404501734 0    501635 0      C-13-H3C(O)CH3
  287528.2657  0.0485 -5.7094 3  797.3370792  5951614044948 2 0    4947 2 0      C-13-H3C(O)CH3
  287528.2657  0.0485 -5.7094 3  797.3370792  5951614044948 1 0    4947 3 0      C-13-H3C(O)CH3
  287533.9248  0.0387 -6.7289 3  366.8340276  5951614043431 4 4    3332 2 4      C-13-H3C(O)CH3
  287554.6002  0.5139 -6.8492 3 1869.9277D04  595161404815626 2    815527 2      C-13-H3C(O)CH3
  287558.5370  0.0018 -3.5859 3  130.1749408 -59516140425 620 0    24 519 0      C-13-H3C(O)CH3
  287558.5370  0.0018 -3.5859 3  130.1749408 -59516140425 520 0    24 619 0      C-13-H3C(O)CH3
  287572.7929  0.0079 -4.5769 3  596.1403808  595161404501734 2    501535 2      C-13-H3C(O)CH3
  287572.7929  0.0079 -4.5769 3  596.1403808  595161404501634 2    501635 2      C-13-H3C(O)CH3
  287573.3703  0.1677 -6.2119 3 1508.7103B60  595161404725320 1    725221 1      C-13-H3C(O)CH3
  287573.5884  0.0077 -4.6011 3  596.1410808  595161404501634 1    501635 1      C-13-H3C(O)CH3
  287573.5884  0.0077 -4.6011 3  596.1410808  595161404501734 1    501535 1      C-13-H3C(O)CH3
  287573.5884  0.0077 -5.8397 3  596.1410808  595161404501734 1    501635 1      C-13-H3C(O)CH3
  287573.5884  0.0077 -5.8397 3  596.1410808  595161404501634 1    501535 1      C-13-H3C(O)CH3
  287590.9661  0.5109 -6.8492 3 1869.9548D04  595161404815625 2    815526 2      C-13-H3C(O)CH3
  287604.9316  0.1965 -6.2120 3 1508.7629B60  595161404725319 1    725220 1      C-13-H3C(O)CH3
  287620.8922  0.1740 -6.2118 3 1508.7147B60  595161404725320 2    725221 2      C-13-H3C(O)CH3
  287627.7465  0.0083 -6.4315 3  596.1157404  595161404501734 3    501635 3      C-13-H3C(O)CH3
  287627.7465  0.0083 -6.4315 3  596.1157404  595161404501634 3    501535 3      C-13-H3C(O)CH3
  287627.7465  0.0083 -4.8898 3  596.1157404  595161404501734 3    501535 3      C-13-H3C(O)CH3
  287627.7465  0.0083 -4.8898 3  596.1157404  595161404501634 3    501635 3      C-13-H3C(O)CH3
  287627.7778  0.0084 -6.6338 3  596.1156404  595161404501634 4    501535 4      C-13-H3C(O)CH3
  287627.7778  0.0084 -4.8851 3  596.1156404  595161404501634 4    501635 4      C-13-H3C(O)CH3
  287627.7778  0.0084 -4.8851 3  596.1156404  595161404501734 4    501535 4      C-13-H3C(O)CH3
  287627.7778  0.0084 -6.6338 3  596.1156404  595161404501734 4    501635 4      C-13-H3C(O)CH3
  287633.5194  0.2148 -6.7305 3 1677.7055636  595161404794138 4    794039 4      C-13-H3C(O)CH3
  287633.5898  0.2148 -6.7305 3 1677.7055636  595161404794138 3    794039 3      C-13-H3C(O)CH3
  287636.6029  0.2144 -6.7305 3 1677.7055636  595161404794238 4    794139 4      C-13-H3C(O)CH3
  287636.6749  0.2144 -6.7305 3 1677.7055636  595161404794238 3    794139 3      C-13-H3C(O)CH3
  287637.6180  0.0255 -6.3560 3  338.8685268  5951614043329 4 4    3230 2 4      C-13-H3C(O)CH3
  287648.6961  0.0242 -6.0539 3  338.9083536  5951614043329 4 2    3230 2 2      C-13-H3C(O)CH3
  287649.9596  0.0616 -5.7091 3  797.3337792  5951614044948 2 2    4947 3 2      C-13-H3C(O)CH3
  287653.9604  0.6209 -6.8490 3 1869.9504D04  595161404815625 0    815526 0      C-13-H3C(O)CH3
  287656.1571  0.6208 -6.8490 3 1869.9503D04  595161404815626 0    815527 0      C-13-H3C(O)CH3
  287660.7436  0.2210 -6.4293 3 1677.6985C72  595161404794138 1    794039 1      C-13-H3C(O)CH3
  287663.8818  0.2212 -6.4293 3 1677.6985C72  595161404794238 1    794139 1      C-13-H3C(O)CH3
  287667.7825  0.2190 -6.4294 3 1677.7019C72  595161404794138 2    794039 2      C-13-H3C(O)CH3
  287670.5380  0.2186 -6.4294 3 1677.7019C72  595161404794238 2    794139 2      C-13-H3C(O)CH3
  287676.8860  0.0264 -6.0535 3  338.8857536  5951614043329 5 1    3230 3 1      C-13-H3C(O)CH3
  287694.8717  0.2223 -6.4292 3 1677.6949C72  595161404794138 0    794039 0      C-13-H3C(O)CH3
  287697.6753  0.2226 -6.4292 3 1677.6949C72  595161404794238 0    794139 0      C-13-H3C(O)CH3
  287708.6511  0.1890 -6.2118 3 1508.7597B60  595161404725319 2    725220 2      C-13-H3C(O)CH3
  287731.1416  0.0541 -5.7093 3  797.3974792  5951614044948 1 1    4947 2 1      C-13-H3C(O)CH3
  287796.7197  0.0259 -6.3542 3  338.8596268  5951614043329 4 3    3230 2 3      C-13-H3C(O)CH3
  287796.7328  0.0127 -6.1413 3  209.1773440  5951614042720 8 1    271711 1      C-13-H3C(O)CH3
  287807.0261  0.0570 -5.7089 3  797.3620792  5951614044948 2 1    4947 3 1      C-13-H3C(O)CH3
  287809.0727  0.0244 -6.0522 3  338.8994536  5951614043329 5 2    3230 3 2      C-13-H3C(O)CH3
  287836.0436  0.2040 -6.2114 3 1508.7258B60  595161404725319 0    725220 0      C-13-H3C(O)CH3
  287836.0497  0.2040 -6.2114 3 1508.7258B60  595161404725320 0    725221 0      C-13-H3C(O)CH3
  287853.9263  0.0782 -6.0099 3  797.3940396  5951614044948 2 3    4947 3 3      C-13-H3C(O)CH3
  287855.8268  0.0113 -5.0586 3  186.3554424  595161404261710 2    2518 7 2      C-13-H3C(O)CH3
  287857.0253  0.0112 -5.1081 3  186.3552424  595161404261710 1    2518 7 1      C-13-H3C(O)CH3
  287863.3055  0.0625 -5.7089 3  797.3764792  5951614044948 1 2    4947 2 2      C-13-H3C(O)CH3
  287873.5331  0.0024 -4.2623 3  102.5514164 -595161404201110 4    1910 9 4      C-13-H3C(O)CH3
  287884.3108  0.0061 -4.5538 3   47.8593232 -59516140414 8 6 2    13 7 7 2      C-13-H3C(O)CH3
  287885.4115  0.0156 -6.2821 3  196.2540424  5951614042620 6 1    2617 9 1      C-13-H3C(O)CH3
  287892.3984  0.3069 -6.9240 3 1744.8964628  595161404785524 4    785425 4      C-13-H3C(O)CH3
  287892.9403  0.0031 -4.2623 3  102.5508164 -595161404201110 3    1910 9 3      C-13-H3C(O)CH3
  287894.7632  0.0055 -4.8568 3   47.9060116  59516140414 8 6 3    13 7 7 3      C-13-H3C(O)CH3
  287906.9628  0.2227 -6.7114 3 1624.4946604  595161404755422 4    755323 4      C-13-H3C(O)CH3
  287929.4481  0.0863 -6.0096 3  797.3587396  5951614044948 2 4    4947 3 4      C-13-H3C(O)CH3
  287933.2691  0.0389 -6.9217 3  631.8493776  595161404482821 0    473116 0      C-13-H3C(O)CH3
  287943.0761  0.0080 -4.8573 3   47.9059116  59516140414 8 6 4    13 7 7 4      C-13-H3C(O)CH3
  287960.6443  0.2872 -6.9240 3 1744.9302628  595161404785524 3    785425 3      C-13-H3C(O)CH3
  287966.1671  0.0176 -6.4057 3  209.1642220  5951614042720 8 3    271711 3      C-13-H3C(O)CH3
  287973.2333  0.2504 -6.7114 3 1624.5462604  595161404755421 3    755322 3      C-13-H3C(O)CH3
  287975.5859  0.0040 -5.4439 3   28.4693100  59516140412 4 8 3    11 3 9 3      C-13-H3C(O)CH3
  287976.1576  0.0052 -5.4439 3   28.4693100  59516140412 4 8 4    11 3 9 4      C-13-H3C(O)CH3
  287981.1491  0.0061 -4.5524 3   47.8144232 -59516140414 8 6 0    13 7 7 0      C-13-H3C(O)CH3
  287981.1493  0.0228 -6.5603 3  196.2451212  5951614042620 6 4    2617 9 4      C-13-H3C(O)CH3
  287981.9090  0.0258 -6.3542 3  338.8370268  5951614043329 5 3    3230 3 3      C-13-H3C(O)CH3
  287992.5195  0.2207 -6.7114 3 1624.5347604  595161404755422 3    755323 3      C-13-H3C(O)CH3
  287995.4020  0.0163 -6.8517 3  121.8783328  5951614042018 2 1    2015 5 1      C-13-H3C(O)CH3
  287996.8001  0.3269 -6.9240 3 1744.9437628  595161404785523 3    785424 3      C-13-H3C(O)CH3
  288001.0165  0.0040 -5.4439 3   28.4693100  59516140412 5 8 3    11 2 9 3      C-13-H3C(O)CH3
  288001.2571  0.0052 -5.4438 3   28.4693100  59516140412 5 8 4    11 2 9 4      C-13-H3C(O)CH3
  288005.2029  0.0162 -6.8472 3  121.8119328  5951614042018 3 1    2015 6 1      C-13-H3C(O)CH3
  288014.3761  0.0060 -4.5546 3   47.8609232 -59516140414 8 6 1    13 7 7 1      C-13-H3C(O)CH3
  288023.9605  0.0094 -6.2092 3  384.6879308  595161404381919 3    372216 3      C-13-H3C(O)CH3
  288026.8670  0.0096 -6.2091 3  384.6878308  595161404381919 4    372216 4      C-13-H3C(O)CH3
  288029.2145  0.0027 -3.9613 3  102.5320328 -595161404201110 1    1910 9 1      C-13-H3C(O)CH3
  288039.8739  0.3631 -6.6227 3 1744.9149C56  595161404785524 1    785425 1      C-13-H3C(O)CH3
  288046.5768  0.0160 -6.8500 3  121.8233328  5951614042018 3 2    2015 6 2      C-13-H3C(O)CH3
  288058.7182  0.2472 -6.7114 3 1624.5864604  595161404755421 4    755322 4      C-13-H3C(O)CH3
  288065.0931  0.3156 -6.9239 3 1744.9776628  595161404785523 4    785424 4      C-13-H3C(O)CH3
  288068.9286  0.0766 -6.0098 3  797.4368396  5951614044948 1 4    4947 2 4      C-13-H3C(O)CH3
  288078.1193  0.0098 -5.9087 3  384.7148616  595161404381919 1    372216 1      C-13-H3C(O)CH3
  288094.0490  0.0172 -5.0633 3  918.6714968  595161404602635 0    602536 0      C-13-H3C(O)CH3
  288094.0490  0.0172 -5.0633 3  918.6714968  595161404602535 0    602436 0      C-13-H3C(O)CH3
  288094.4568  0.2461 -6.4100 3 1624.5093C08  595161404755422 1    755323 1      C-13-H3C(O)CH3
  288108.2046  0.0029 -3.9617 3  102.5260328 -595161404201110 2    1910 9 2      C-13-H3C(O)CH3
  288115.7273  0.0100 -5.9062 3  384.7092616  595161404381919 2    372216 2      C-13-H3C(O)CH3
  288131.0361  0.0193 -5.0632 3  918.6777968  595161404602635 1    602536 1      C-13-H3C(O)CH3
  288131.0361  0.0193 -5.0632 3  918.6777968  595161404602535 1    602436 1      C-13-H3C(O)CH3
  288134.4021  0.0242 -5.0631 3  918.6782968  595161404602535 2    602436 2      C-13-H3C(O)CH3
  288134.4021  0.0242 -5.0631 3  918.6782968  595161404602635 2    602536 2      C-13-H3C(O)CH3
  288140.2993  0.0300 -6.3525 3  338.8281268  5951614043329 5 4    3230 3 4      C-13-H3C(O)CH3
  288143.8970  0.4096 -6.6226 3 1744.9623C56  595161404785523 1    785424 1      C-13-H3C(O)CH3
  288144.1712  0.0825 -6.0094 3  797.4014396  5951614044948 1 3    4947 2 3      C-13-H3C(O)CH3
  288149.3237  0.0130 -6.0364 3  196.2586424  5951614042620 6 0    2617 9 0      C-13-H3C(O)CH3
  288160.2711  0.0056 -4.8504 3  186.3572424  595161404261710 0    2518 7 0      C-13-H3C(O)CH3
  288160.4098  0.2882 -6.4100 3 1624.5609C08  595161404755421 1    755322 1      C-13-H3C(O)CH3
  288168.8651  0.0091 -5.9068 3  384.7361616  595161404381919 0    372216 0      C-13-H3C(O)CH3
  288171.1338  0.0423 -5.5012 3  954.5380888  5951614045549 6 2    5548 7 2      C-13-H3C(O)CH3
  288171.4633  0.0239 -5.3640 3  918.6846484  595161404602535 3    602436 3      C-13-H3C(O)CH3
  288171.4633  0.0239 -5.3640 3  918.6846484  595161404602635 3    602536 3      C-13-H3C(O)CH3
  288171.5825  0.0240 -5.3640 3  918.6846484  595161404602535 4    602436 4      C-13-H3C(O)CH3
  288171.5825  0.0240 -5.3640 3  918.6846484  595161404602635 4    602536 4      C-13-H3C(O)CH3
  288200.9798  0.0058 -4.5646 3  566.1273792  595161404491634 0    491435 0      C-13-H3C(O)CH3
  288200.9798  0.0058 -5.7734 3  566.1273792  595161404491634 0    491535 0      C-13-H3C(O)CH3
  288200.9798  0.0058 -4.5646 3  566.1273792  595161404491534 0    491535 0      C-13-H3C(O)CH3
  288200.9798  0.0058 -5.7734 3  566.1273792  595161404491534 0    491435 0      C-13-H3C(O)CH3
  288202.4681  0.2519 -6.4098 3 1624.5108C08  595161404755422 2    755323 2      C-13-H3C(O)CH3
  288208.2954  0.3622 -6.6224 3 1744.9113C56  595161404785524 2    785425 2      C-13-H3C(O)CH3
  288214.8892  0.0075 -6.3908 3   29.6269 92  59516140411 9 3 4    10 6 5 4      C-13-H3C(O)CH3
  288223.2583  0.0071 -4.3209 3  116.8450344 -5951614042112 9 0    2013 8 0      C-13-H3C(O)CH3
  288245.8677  0.0050 -5.1414 3   28.4061200  59516140412 4 8 2    11 3 9 2      C-13-H3C(O)CH3
  288246.0222  0.0073 -6.6994 3  566.0998792  595161404491634 2    491535 2      C-13-H3C(O)CH3
  288246.0222  0.0073 -6.1945 3  566.0998792  595161404491534 2    491435 2      C-13-H3C(O)CH3
  288246.0222  0.0073 -4.5413 3  566.0998792  595161404491534 2    491535 2      C-13-H3C(O)CH3
  288246.0222  0.0073 -4.5480 3  566.0998792  595161404491634 2    491435 2      C-13-H3C(O)CH3
  288247.1554  0.0072 -6.2175 3  566.1005792  595161404491534 1    491535 1      C-13-H3C(O)CH3
  288247.1554  0.0072 -6.2175 3  566.1005792  595161404491634 1    491435 1      C-13-H3C(O)CH3
  288247.1554  0.0072 -4.5475 3  566.1005792  595161404491534 1    491435 1      C-13-H3C(O)CH3
  288247.1554  0.0072 -4.5475 3  566.1005792  595161404491634 1    491535 1      C-13-H3C(O)CH3
  288250.3929  0.0561 -5.8021 3  954.5623444  5951614045549 7 4    5548 7 4      C-13-H3C(O)CH3
  288252.8397  0.0023 -3.9618 3  102.5070328 -595161404201110 0    1910 9 0      C-13-H3C(O)CH3
  288257.1129  0.0049 -5.1416 3   28.4067200  59516140412 4 8 1    11 3 9 1      C-13-H3C(O)CH3
  288262.9352  0.0381 -5.5011 3  954.5203888  5951614045549 7 0    5548 8 0      C-13-H3C(O)CH3
  288262.9352  0.0381 -5.5011 3  954.5203888  5951614045549 6 0    5548 7 0      C-13-H3C(O)CH3
  288272.2212  0.0050 -5.1414 3   28.4061200  59516140412 5 8 2    11 2 9 2      C-13-H3C(O)CH3
  288276.2257  0.0162 -6.3045 3  196.2486424  5951614042620 6 2    2617 9 2      C-13-H3C(O)CH3
  288276.3527  0.3691 -6.6223 3 1744.9452C56  595161404785523 2    785424 2      C-13-H3C(O)CH3
  288276.6416  0.0482 -5.8022 3  954.5656444  5951614045549 6 3    5548 7 3      C-13-H3C(O)CH3
  288282.8488  0.0049 -5.1416 3   28.4067200  59516140412 5 8 1    11 2 9 1      C-13-H3C(O)CH3
  288287.8135  0.2644 -6.4098 3 1624.5510C08  595161404755421 2    755322 2      C-13-H3C(O)CH3
  288288.7906  0.0077 -4.3200 3  116.8539344 -5951614042112 9 2    2013 8 2      C-13-H3C(O)CH3
  288292.2598  0.0079 -6.0937 3  566.0729396  595161404491634 4    491435 4      C-13-H3C(O)CH3
  288292.2598  0.0079 -4.8640 3  566.0729396  595161404491534 4    491435 4      C-13-H3C(O)CH3
  288292.2598  0.0079 -4.8640 3  566.0729396  595161404491634 4    491535 4      C-13-H3C(O)CH3
  288292.2598  0.0079 -6.0937 3  566.0729396  595161404491534 4    491535 4      C-13-H3C(O)CH3
  288292.2678  0.0079 -4.8956 3  566.0729396  595161404491534 3    491435 3      C-13-H3C(O)CH3
  288292.2678  0.0079 -5.7525 3  566.0729396  595161404491534 3    491535 3      C-13-H3C(O)CH3
  288292.2678  0.0079 -4.8956 3  566.0729396  595161404491634 3    491535 3      C-13-H3C(O)CH3
  288292.2678  0.0079 -5.7525 3  566.0729396  595161404491634 3    491435 3      C-13-H3C(O)CH3
  288308.7468  0.0174 -6.5759 3  209.1642220  5951614042720 7 3    271711 3      C-13-H3C(O)CH3
  288332.6910  0.0397 -5.5010 3  954.5311888  5951614045549 7 2    5548 8 2      C-13-H3C(O)CH3
  288343.1374  0.0414 -5.5009 3  954.5446888  5951614045549 7 1    5548 8 1      C-13-H3C(O)CH3
  288351.4832  0.0139 -6.1440 3  209.1745440  5951614042720 8 2    271711 2      C-13-H3C(O)CH3
  288355.5251  0.4443 -6.6221 3 1744.9299C56  595161404785523 0    785424 0      C-13-H3C(O)CH3
  288355.8735  0.4443 -6.6221 3 1744.9299C56  595161404785524 0    785425 0      C-13-H3C(O)CH3
  288368.6755  0.0375 -5.5010 3  954.5479888  5951614045549 6 1    5548 7 1      C-13-H3C(O)CH3
  288369.6438  0.0588 -5.9576 3  774.4449776  5951614044848 0 0    4847 1 0      C-13-H3C(O)CH3
  288369.6438  0.0588 -5.9576 3  774.4449776  5951614044848 1 0    4847 2 0      C-13-H3C(O)CH3
  288373.8239  0.0735 -5.9155 3 1100.8049484  595161404605010 4    604911 4      C-13-H3C(O)CH3
  288374.1048  0.0151 -6.8546 3  121.8791328  5951614042018 2 2    2015 5 2      C-13-H3C(O)CH3
  288389.7809  0.3062 -6.4095 3 1624.5256C08  595161404755421 0    755322 0      C-13-H3C(O)CH3
  288389.8299  0.3062 -6.4095 3 1624.5256C08  595161404755422 0    755323 0      C-13-H3C(O)CH3
  288412.5633  0.0505 -5.8019 3  954.5553444  5951614045549 7 3    5548 8 3      C-13-H3C(O)CH3
  288427.7941  0.0197 -5.7581 3  312.2503520  5951614043227 6 0    3128 3 0      C-13-H3C(O)CH3
  288427.7951  0.0197 -5.7581 3  312.2503520  5951614043227 5 0    3128 4 0      C-13-H3C(O)CH3
  288433.0313  0.0636 -5.9154 3 1100.7827484  595161404605010 3    604911 3      C-13-H3C(O)CH3
  288434.8365  0.0120 -5.2447 3  186.3254212  595161404261710 3    2518 7 3      C-13-H3C(O)CH3
  288439.0217  0.0500 -5.8020 3  954.5586444  5951614045549 6 4    5548 8 4      C-13-H3C(O)CH3
  288440.6303  0.0572 -5.6143 3 1100.7764968  595161404605010 2    604911 2      C-13-H3C(O)CH3
  288448.7213  0.0624 -5.9153 3 1100.7708484  595161404605011 3    604912 3      C-13-H3C(O)CH3
  288500.7085  0.0020 -4.2250 3  134.0211212  59516140426 422 3    25 521 3      C-13-H3C(O)CH3
  288500.7085  0.0020 -4.0762 3  134.0211212  59516140426 522 3    25 521 3      C-13-H3C(O)CH3
  288500.7251  0.0020 -4.2250 3  134.0211212 -59516140426 522 3    25 421 3      C-13-H3C(O)CH3
  288500.7251  0.0020 -3.8950 3  134.0212212 -59516140426 522 4    25 521 4      C-13-H3C(O)CH3
  288500.7251  0.0020 -4.7926 3  134.0212212 -59516140426 422 4    25 521 4      C-13-H3C(O)CH3
  288500.7251  0.0020 -4.0762 3  134.0211212 -59516140426 422 3    25 421 3      C-13-H3C(O)CH3
  288500.7307  0.0020 -4.7926 3  134.0212212  59516140426 522 4    25 421 4      C-13-H3C(O)CH3
  288500.7307  0.0020 -3.8950 3  134.0212212  59516140426 422 4    25 421 4      C-13-H3C(O)CH3
  288507.9200  0.0643 -5.9153 3 1100.7486484  595161404605011 4    604912 4      C-13-H3C(O)CH3
  288515.4206  0.0499 -5.6141 3 1100.7424968  595161404605011 2    604912 2      C-13-H3C(O)CH3
  288525.2863  0.0193 -5.7586 3  312.2000520  5951614043227 5 1    3128 3 1      C-13-H3C(O)CH3
  288526.6573  0.0052 -5.1401 3   28.3436200  59516140412 4 8 0    11 3 9 0      C-13-H3C(O)CH3
  288549.1039  0.0545 -5.6141 3 1100.7717968  595161404605010 1    604911 1      C-13-H3C(O)CH3
  288550.8190  0.0022 -3.5425 3  133.9926424  59516140426 522 1    25 521 1      C-13-H3C(O)CH3
  288550.8190  0.0022 -3.5679 3  133.9926424  59516140426 422 1    25 421 1      C-13-H3C(O)CH3
  288550.8798  0.0022 -6.4870 3  133.9926424 -59516140426 422 1    25 521 1      C-13-H3C(O)CH3
  288550.8798  0.0022 -4.7794 3  133.9926424 -59516140426 522 1    25 421 1      C-13-H3C(O)CH3
  288551.2204  0.0022 -3.5425 3  133.9920424  59516140426 522 2    25 521 2      C-13-H3C(O)CH3
  288551.2204  0.0022 -3.5425 3  133.9920424  59516140426 422 2    25 421 2      C-13-H3C(O)CH3
  288551.4087  0.0022 -6.5608 3  133.9920424 -59516140426 422 2    25 521 2      C-13-H3C(O)CH3
  288551.4087  0.0022 -6.5608 3  133.9920424 -59516140426 522 2    25 421 2      C-13-H3C(O)CH3
  288552.6744  0.0734 -5.9572 3  774.4394776  5951614044848 1 2    4847 2 2      C-13-H3C(O)CH3
  288553.4804  0.0051 -5.1401 3   28.3436200  59516140412 5 8 0    11 2 9 0      C-13-H3C(O)CH3
  288562.8210  0.0083 -4.6154 3  116.8659172  5951614042112 9 3    2013 8 3      C-13-H3C(O)CH3
  288579.4203  0.0078 -4.3174 3  116.8546344  5951614042112 9 1    2013 8 1      C-13-H3C(O)CH3
  288579.7926  0.0638 -5.9575 3  774.5123776  5951614044848 0 1    4847 1 1      C-13-H3C(O)CH3
  288601.2057  0.0019 -4.7359 3  133.9635424  59516140426 422 0    25 521 0      C-13-H3C(O)CH3
  288601.2057  0.0019 -4.7359 3  133.9635424  59516140426 522 0    25 421 0      C-13-H3C(O)CH3
  288601.2235  0.0019 -3.5706 3  133.9635424 -59516140426 422 0    25 421 0      C-13-H3C(O)CH3
  288601.2235  0.0019 -3.5706 3  133.9635424 -59516140426 522 0    25 521 0      C-13-H3C(O)CH3
  288607.8896  0.0495 -5.6140 3 1100.7495968  595161404605011 1    604912 1      C-13-H3C(O)CH3
  288615.0201  0.0428 -5.6139 3 1100.7432968  595161404605011 0    604912 0      C-13-H3C(O)CH3
  288615.0201  0.0428 -5.6139 3 1100.7432968  595161404605010 0    604911 0      C-13-H3C(O)CH3
  288644.7978  0.0431 -5.5154 3  567.1256728  595161404452916 0    452619 0      C-13-H3C(O)CH3
  288687.7516  0.0676 -5.9570 3  774.4724776  5951614044848 1 1    4847 2 1      C-13-H3C(O)CH3
  288701.6697  0.0090 -5.6470 3  251.3921488  595161404302011 1    301714 1      C-13-H3C(O)CH3
  288722.0508  0.0102 -5.9509 3  251.3715244  595161404302011 4    301714 4      C-13-H3C(O)CH3
  288733.2054  0.0103 -4.6193 3  116.8612172 -5951614042112 9 4    2013 8 4      C-13-H3C(O)CH3
  288753.8223  0.0090 -5.9480 3  251.3716244  595161404302011 3    301714 3      C-13-H3C(O)CH3
  288760.3491  0.0760 -5.9571 3  774.4928776  5951614044848 0 2    4847 1 2      C-13-H3C(O)CH3
  288764.3137  0.0901 -6.2580 3  774.5067388  5951614044848 1 3    4847 2 3      C-13-H3C(O)CH3
  288772.3061  0.1202 -6.2791 3 1364.6478548  595161404685217 3    685117 3      C-13-H3C(O)CH3
  288778.5654  0.0035 -5.0307 3   67.0349132  5951614041611 6 4    1510 6 4      C-13-H3C(O)CH3
  288791.1462  0.0169 -6.8502 3  121.8549328  5951614042018 2 0    2015 5 0      C-13-H3C(O)CH3
  288791.7061  0.0203 -5.7570 3  312.1861520  5951614043227 6 1    3128 4 1      C-13-H3C(O)CH3
  288795.7799  0.0196 -5.7573 3  312.2002520  5951614043227 6 2    3128 4 2      C-13-H3C(O)CH3
  288796.2294  0.1091 -6.2790 3 1364.5991548  595161404685217 4    685118 4      C-13-H3C(O)CH3
  288814.2769  0.0190 -5.7561 3  312.2040520  5951614043227 5 2    3128 3 2      C-13-H3C(O)CH3
  288824.0565  0.1436 -6.2791 3 1364.6965548  595161404685216 4    685117 4      C-13-H3C(O)CH3
  288847.3726  0.0054 -4.5044 3  536.6706776  595161404481434 0    481435 0      C-13-H3C(O)CH3
  288847.3726  0.0054 -4.5044 3  536.6706776  595161404481534 0    481335 0      C-13-H3C(O)CH3
  288848.2663  0.1279 -6.2790 3 1364.6477548  595161404685216 3    685118 3      C-13-H3C(O)CH3
  288872.2503  0.1004 -6.2576 3  774.4668388  5951614044848 1 4    4847 2 4      C-13-H3C(O)CH3
  288880.1894  0.0069 -5.8531 3  536.6415776  595161404481434 2    481435 2      C-13-H3C(O)CH3
  288880.1894  0.0069 -5.8531 3  536.6415776  595161404481534 2    481335 2      C-13-H3C(O)CH3
  288880.1894  0.0069 -4.5228 3  536.6415776  595161404481534 2    481435 2      C-13-H3C(O)CH3
  288880.1894  0.0069 -4.5228 3  536.6415776  595161404481434 2    481335 2      C-13-H3C(O)CH3
  288881.6146  0.0069 -4.5715 3  536.6422776  595161404481534 1    481335 1      C-13-H3C(O)CH3
  288881.6146  0.0069 -5.3389 3  536.6422776  595161404481534 1    481435 1      C-13-H3C(O)CH3
  288881.6146  0.0069 -4.5715 3  536.6422776  595161404481434 1    481435 1      C-13-H3C(O)CH3
  288881.6146  0.0069 -5.3389 3  536.6422776  595161404481434 1    481335 1      C-13-H3C(O)CH3
  288891.2908  0.0211 -6.0588 3  312.1500260  5951614043227 5 4    3128 3 4      C-13-H3C(O)CH3
  288908.7356  0.0206 -6.0576 3  312.1538260  5951614043227 5 3    3128 3 3      C-13-H3C(O)CH3
  288914.4331  0.0074 -4.8623 3  536.6130388  595161404481434 4    481435 4      C-13-H3C(O)CH3
  288914.4331  0.0074 -5.7035 3  536.6130388  595161404481534 4    481435 4      C-13-H3C(O)CH3
  288914.4331  0.0074 -5.7035 3  536.6130388  595161404481434 4    481335 4      C-13-H3C(O)CH3
  288914.4331  0.0074 -4.8623 3  536.6130388  595161404481534 4    481335 4      C-13-H3C(O)CH3
  288914.4862  0.0074 -6.5372 3  536.6130388  595161404481534 3    481335 3      C-13-H3C(O)CH3
  288914.4862  0.0074 -4.8119 3  536.6130388  595161404481534 3    481435 3      C-13-H3C(O)CH3
  288914.4862  0.0074 -4.8119 3  536.6130388  595161404481434 3    481335 3      C-13-H3C(O)CH3
  288914.4862  0.0074 -6.5372 3  536.6130388  595161404481434 3    481435 3      C-13-H3C(O)CH3
  288924.8469  0.0086 -5.6431 3  251.4072488  595161404302011 0    301714 0      C-13-H3C(O)CH3
  288929.2453  0.0098 -5.2675 3  186.3196424  595161404261710 2    2518 8 2      C-13-H3C(O)CH3
  288934.7985  0.0131 -6.2233 3  209.1773440  5951614042720 7 1    271711 1      C-13-H3C(O)CH3
  288937.4784  0.0096 -5.8804 3  209.1879440  5951614042720 8 0    271711 0      C-13-H3C(O)CH3
  288959.7568  0.0113 -5.8572 3  186.3079212  595161404261710 3    2518 8 3      C-13-H3C(O)CH3
  288966.6907  0.0086 -5.6446 3  251.3866488  595161404302011 2    301714 2      C-13-H3C(O)CH3
  288973.7051  0.0882 -6.2579 3  774.5602388  5951614044848 0 4    4847 1 4      C-13-H3C(O)CH3
  288983.6840  0.1028 -5.9776 3 1364.6125A96  595161404685217 2    685118 2      C-13-H3C(O)CH3
  288992.6552  0.1153 -5.9776 3 1364.6567A96  595161404685216 1    685117 1      C-13-H3C(O)CH3
  288995.0926  0.0168 -6.8497 3  121.8481328  5951614042018 3 0    2015 6 0      C-13-H3C(O)CH3
  289005.7051  0.0072 -6.2057 3  168.1065204  595161404251511 4    251214 4      C-13-H3C(O)CH3
  289015.0843  0.0567 -5.8053 3 1175.6830540  595161404673136 3    673037 3      C-13-H3C(O)CH3
  289015.0864  0.0567 -5.8053 3 1175.6830540  595161404673236 3    673137 3      C-13-H3C(O)CH3
  289015.1140  0.0568 -5.8053 3 1175.6831540  595161404673136 4    673037 4      C-13-H3C(O)CH3
  289015.1160  0.0568 -5.8053 3 1175.6831540  595161404673236 4    673137 4      C-13-H3C(O)CH3
  289015.9361  0.0059 -6.2056 3  168.1065204  595161404251511 3    251214 3      C-13-H3C(O)CH3
  289016.7567  0.1034 -5.9775 3 1364.6079A96  595161404685217 1    685118 1      C-13-H3C(O)CH3
  289019.5257  0.0518 -5.5043 3 1175.6641A80  595161404673136 1    673037 1      C-13-H3C(O)CH3
  289019.5276  0.0518 -5.5043 3 1175.6641A80  595161404673236 1    673137 1      C-13-H3C(O)CH3
  289024.5467  0.0559 -5.5043 3 1175.6660A80  595161404673136 2    673037 2      C-13-H3C(O)CH3
  289024.5483  0.0559 -5.5043 3 1175.6660A80  595161404673236 2    673137 2      C-13-H3C(O)CH3
  289029.0178  0.0511 -5.5042 3 1175.6471A80  595161404673136 0    673037 0      C-13-H3C(O)CH3
  289029.0193  0.0511 -5.5042 3 1175.6471A80  595161404673236 0    673137 0      C-13-H3C(O)CH3
  289035.3966  0.1231 -5.9776 3 1364.6612A96  595161404685216 2    685117 2      C-13-H3C(O)CH3
  289061.6999  0.1043 -6.0778 3 1228.7159516  595161404645113 4    645014 4      C-13-H3C(O)CH3
  289068.3220  0.0818 -6.0777 3 1228.6704516  595161404645114 3    645015 3      C-13-H3C(O)CH3
  289081.0291  0.0059 -5.9021 3  168.1067408  595161404251511 2    251214 2      C-13-H3C(O)CH3
  289081.3588  0.0964 -6.2575 3  774.5202388  5951614044848 0 3    4847 1 3      C-13-H3C(O)CH3
  289116.5890  0.0912 -6.0777 3 1228.6777516  595161404645113 3    645014 3      C-13-H3C(O)CH3
  289122.9999  0.0809 -6.0776 3 1228.6322516  595161404645114 4    645015 4      C-13-H3C(O)CH3
  289123.8965  0.0059 -5.9027 3  168.1096408  595161404251511 1    251214 1      C-13-H3C(O)CH3
  289130.5429  0.0192 -6.5258 3  209.1635220  5951614042720 7 4    271711 4      C-13-H3C(O)CH3
  289135.6278  0.0391 -5.5191 3  567.1035728  595161404452916 1    452619 1      C-13-H3C(O)CH3
  289139.3088  0.0025 -5.1779 3   67.0094264  5951614041611 6 1    1510 6 1      C-13-H3C(O)CH3
  289153.0929  0.0141 -6.2249 3  209.1745440  5951614042720 7 2    271711 2      C-13-H3C(O)CH3
  289156.2063  0.0203 -6.0572 3  312.1361260  5951614043227 6 3    3128 4 3      C-13-H3C(O)CH3
  289174.3887  0.0235 -6.0561 3  312.1398260  5951614043227 6 4    3128 4 4      C-13-H3C(O)CH3
  289191.0558  0.0025 -5.3094 3   67.0096264  5951614041611 6 2    1510 6 2      C-13-H3C(O)CH3
  289193.3190  0.0060 -5.9001 3  168.1098408  595161404251511 0    251214 0      C-13-H3C(O)CH3
  289196.9843  0.0149 -5.0024 3  882.8464952  595161404592535 0    592436 0      C-13-H3C(O)CH3
  289196.9843  0.0149 -5.0025 3  882.8464952  595161404592435 0    592336 0      C-13-H3C(O)CH3
  289203.7571  0.1090 -5.9771 3 1364.6214A96  595161404685216 0    685117 0      C-13-H3C(O)CH3
  289203.7572  0.1090 -5.9771 3 1364.6214A96  595161404685217 0    685118 0      C-13-H3C(O)CH3
  289215.5343  0.0833 -5.7764 3 1228.6837A32  595161404645113 2    645014 2      C-13-H3C(O)CH3
  289222.1785  0.0656 -5.7763 3 1228.6383A32  595161404645114 2    645015 2      C-13-H3C(O)CH3
  289241.3602  0.0170 -5.0028 3  882.8499952  595161404592535 1    592436 1      C-13-H3C(O)CH3
  289241.3602  0.0170 -5.0025 3  882.8499952  595161404592435 1    592336 1      C-13-H3C(O)CH3
  289244.3359  0.0214 -5.0022 3  882.8502952  595161404592435 2    592336 2      C-13-H3C(O)CH3
  289244.3359  0.0214 -5.0025 3  882.8502952  595161404592535 2    592436 2      C-13-H3C(O)CH3
  289250.3131  0.0757 -5.7763 3 1228.6764A32  595161404645113 1    645014 1      C-13-H3C(O)CH3
  289269.8829  0.0102 -5.8042 3  212.6199456  595161404281612 2    281315 2      C-13-H3C(O)CH3
  289288.7917  0.0209 -5.3031 3  882.8536476  595161404592535 3    592436 3      C-13-H3C(O)CH3
  289288.7917  0.0209 -5.3030 3  882.8536476  595161404592435 3    592336 3      C-13-H3C(O)CH3
  289288.9205  0.0210 -5.3030 3  882.8536476  595161404592535 4    592436 4      C-13-H3C(O)CH3
  289288.9205  0.0210 -5.3031 3  882.8536476  595161404592435 4    592336 4      C-13-H3C(O)CH3
  289304.9515  0.0693 -5.7762 3 1228.6382A32  595161404645114 1    645015 1      C-13-H3C(O)CH3
  289314.8288  0.0091 -5.1972 3  186.3066424  595161404261710 1    2518 8 1      C-13-H3C(O)CH3
  289326.3679  0.0198 -6.8067 3  222.6437456  5951614042820 9 1    2721 6 1      C-13-H3C(O)CH3
  289338.8927  0.0089 -5.8030 3  212.6339456  595161404281612 0    281315 0      C-13-H3C(O)CH3
  289383.5632  0.1119 -6.2404 3 1416.6281588  595161404733637 4    733538 4      C-13-H3C(O)CH3
  289383.6018  0.1119 -6.2404 3 1416.6281588  595161404733637 3    733538 3      C-13-H3C(O)CH3
  289383.6596  0.1119 -6.2404 3 1416.6281588  595161404733737 4    733638 4      C-13-H3C(O)CH3
  289383.6986  0.1119 -6.2404 3 1416.6281588  595161404733737 3    733638 3      C-13-H3C(O)CH3
  289403.5765  0.0601 -5.7760 3 1228.6443A32  595161404645114 0    645015 0      C-13-H3C(O)CH3
  289403.5765  0.0601 -5.7760 3 1228.6443A32  595161404645113 0    645014 0      C-13-H3C(O)CH3
  289406.0781  0.0441 -5.5088 3  928.6863872  5951614045449 6 2    5448 7 2      C-13-H3C(O)CH3
  289411.2006  0.1142 -5.9393 3 1416.6113B76  595161404733637 1    733538 1      C-13-H3C(O)CH3
  289411.2035  0.0269 -6.8433 3  756.6240872  595161404542430 1    532727 1      C-13-H3C(O)CH3
  289411.2958  0.1142 -5.9393 3 1416.6113B76  595161404733737 1    733638 1      C-13-H3C(O)CH3
  289413.6414  0.0269 -6.8433 3  756.6239872  595161404542530 1    532627 1      C-13-H3C(O)CH3
  289416.4546  0.1136 -5.9393 3 1416.6143B76  595161404733637 2    733538 2      C-13-H3C(O)CH3
  289416.5357  0.1136 -5.9393 3 1416.6143B76  595161404733737 2    733638 2      C-13-H3C(O)CH3
  289416.9251  0.0228 -6.8439 3  756.6268872  595161404542430 0    532727 0      C-13-H3C(O)CH3
  289419.1548  0.0228 -6.8439 3  756.6267872  595161404542530 0    532627 0      C-13-H3C(O)CH3
  289420.3438  0.0308 -6.8423 3  756.6234872  595161404542430 2    532727 2      C-13-H3C(O)CH3
  289422.7816  0.0309 -6.8423 3  756.6233872  595161404542530 2    532627 2      C-13-H3C(O)CH3
  289444.0329  0.1148 -5.9392 3 1416.5975B76  595161404733637 0    733538 0      C-13-H3C(O)CH3
  289444.1127  0.1149 -5.9392 3 1416.5975B76  595161404733737 0    733638 0      C-13-H3C(O)CH3
  289459.7965  0.3170 -6.7701 3 1859.5551D36  595161404834439 1    834340 1      C-13-H3C(O)CH3
  289460.2394  0.0051 -4.6376 3  507.7965760 -595161404471434 0    471235 0      C-13-H3C(O)CH3
  289460.2394  0.0051 -4.9683 3  507.7965760 -595161404471334 0    471235 0      C-13-H3C(O)CH3
  289460.3875  0.0051 -4.9683 3  507.7965760  595161404471434 0    471335 0      C-13-H3C(O)CH3
  289460.3875  0.0051 -4.6376 3  507.7965760  595161404471334 0    471335 0      C-13-H3C(O)CH3
  289461.4819  0.0386 -5.5088 3  928.6727872  5951614045449 6 0    5448 7 0      C-13-H3C(O)CH3
  289461.4819  0.0386 -5.5088 3  928.6727872  5951614045449 5 0    5448 6 0      C-13-H3C(O)CH3
  289469.8337  0.3206 -6.7702 3 1859.5579D36  595161404834439 2    834340 2      C-13-H3C(O)CH3
  289473.2495  0.0225 -6.3896 3  222.6533456  5951614042820 9 2    2721 6 2      C-13-H3C(O)CH3
  289473.3717  0.3177 -6.7701 3 1859.5551D36  595161404834539 1    834440 1      C-13-H3C(O)CH3
  289477.4935  0.0066 -4.4711 3  507.7666760  595161404471434 2    471235 2      C-13-H3C(O)CH3
  289477.5218  0.0066 -4.4711 3  507.7666760 -595161404471334 2    471335 2      C-13-H3C(O)CH3
  289479.0576  0.0067 -6.0487 3  507.7673760 -595161404471334 1    471235 1      C-13-H3C(O)CH3
  289479.0576  0.0067 -4.4827 3  507.7673760 -595161404471434 1    471235 1      C-13-H3C(O)CH3
  289479.1598  0.0067 -4.4827 3  507.7673760  595161404471334 1    471335 1      C-13-H3C(O)CH3
  289479.1598  0.0067 -6.0487 3  507.7673760  595161404471434 1    471335 1      C-13-H3C(O)CH3
  289481.8806  0.3187 -6.7701 3 1859.5580D36  595161404834539 2    834440 2      C-13-H3C(O)CH3
  289485.5784  0.3182 -6.7701 3 1859.5585D36  595161404834439 0    834340 0      C-13-H3C(O)CH3
  289494.8606  0.0130 -6.1072 3  212.6095228  595161404281612 3    281315 3      C-13-H3C(O)CH3
  289496.1972  0.0071 -4.8140 3  507.7372380  595161404471434 4    471235 4      C-13-H3C(O)CH3
  289496.1972  0.0071 -5.8077 3  507.7372380  595161404471434 4    471335 4      C-13-H3C(O)CH3
  289496.1972  0.0071 -5.8077 3  507.7372380  595161404471334 4    471235 4      C-13-H3C(O)CH3
  289496.1972  0.0071 -4.8140 3  507.7372380  595161404471334 4    471335 4      C-13-H3C(O)CH3
  289496.2997  0.0071 -4.9777 3  507.7373380  595161404471434 3    471235 3      C-13-H3C(O)CH3
  289496.2997  0.0071 -5.1954 3  507.7373380  595161404471334 3    471235 3      C-13-H3C(O)CH3
  289496.2997  0.0071 -4.9777 3  507.7373380  595161404471334 3    471335 3      C-13-H3C(O)CH3
  289496.2997  0.0071 -5.1954 3  507.7373380  595161404471434 3    471335 3      C-13-H3C(O)CH3
  289498.0207  0.3190 -6.7700 3 1859.5585D36  595161404834539 0    834440 0      C-13-H3C(O)CH3
  289508.7905  0.0138 -6.1071 3  212.6095228  595161404281612 4    281315 4      C-13-H3C(O)CH3
  289526.0968  0.0599 -5.8096 3  928.7107436  5951614045449 6 4    5448 7 4      C-13-H3C(O)CH3
  289534.1939  0.0518 -5.8098 3  928.7196436  5951614045449 5 3    5448 6 3      C-13-H3C(O)CH3
  289566.8771  0.0106 -5.8051 3  212.6236456  595161404281612 1    281315 1      C-13-H3C(O)CH3
  289571.1491  0.0081 -6.1434 3   29.5726184  59516140411 9 3 1    10 6 5 1      C-13-H3C(O)CH3
  289575.0638  0.0687 -5.5240 3  567.0920728  595161404452916 2    452619 2      C-13-H3C(O)CH3
  289576.9044  0.0021 -4.9804 3  137.2740220  59516140427 424 3    26 423 3      C-13-H3C(O)CH3
  289576.9044  0.0021 -4.5347 3  137.2740220  59516140427 324 3    26 423 3      C-13-H3C(O)CH3
  289576.9320  0.0021 -3.8441 3  137.2741220  59516140427 424 4    26 423 4      C-13-H3C(O)CH3
  289576.9320  0.0021 -3.8441 3  137.2741220  59516140427 324 4    26 323 4      C-13-H3C(O)CH3
  289576.9437  0.0021 -3.8920 3  137.2740220 -59516140427 324 3    26 323 3      C-13-H3C(O)CH3
  289576.9437  0.0021 -4.8458 3  137.2741220 -59516140427 324 4    26 423 4      C-13-H3C(O)CH3
  289576.9437  0.0021 -3.8328 3  137.2740220 -59516140427 424 3    26 323 3      C-13-H3C(O)CH3
  289576.9437  0.0021 -4.8458 3  137.2741220 -59516140427 424 4    26 323 4      C-13-H3C(O)CH3
  289582.2857  0.0426 -5.5086 3  928.6972872  5951614045449 6 1    5448 7 1      C-13-H3C(O)CH3
  289583.9302  0.0402 -5.5086 3  928.6875872  5951614045449 5 2    5448 6 2      C-13-H3C(O)CH3
  289589.6069  0.0386 -5.5087 3  928.7061872  5951614045449 5 1    5448 6 1      C-13-H3C(O)CH3
  289618.7291  0.0023 -4.1943 3  137.2387440  59516140427 324 1    26 323 1      C-13-H3C(O)CH3
  289618.7291  0.0023 -4.1943 3  137.2387440  59516140427 424 1    26 423 1      C-13-H3C(O)CH3
  289618.8669  0.0023 -4.6771 3  137.2382440 -59516140427 324 2    26 323 2      C-13-H3C(O)CH3
  289618.8669  0.0023 -3.6002 3  137.2387440 -59516140427 424 1    26 323 1      C-13-H3C(O)CH3
  289618.8669  0.0023 -3.5318 3  137.2382440 -59516140427 424 2    26 323 2      C-13-H3C(O)CH3
  289618.8669  0.0023 -3.6002 3  137.2387440 -59516140427 324 1    26 423 1      C-13-H3C(O)CH3
  289618.9712  0.0023 -3.5318 3  137.2382440  59516140427 324 2    26 423 2      C-13-H3C(O)CH3
  289618.9712  0.0023 -4.6771 3  137.2382440  59516140427 424 2    26 423 2      C-13-H3C(O)CH3
  289660.6834  0.0020 -3.8863 3  137.2029440 -59516140427 324 0    26 423 0      C-13-H3C(O)CH3
  289660.6834  0.0020 -3.7325 3  137.2029440 -59516140427 424 0    26 423 0      C-13-H3C(O)CH3
  289660.6890  0.0020 -3.8863 3  137.2029440  59516140427 424 0    26 323 0      C-13-H3C(O)CH3
  289660.6890  0.0020 -3.7325 3  137.2029440  59516140427 324 0    26 323 0      C-13-H3C(O)CH3
  289704.7546  0.0533 -5.8094 3  928.7119436  5951614045449 6 3    5448 7 3      C-13-H3C(O)CH3
  289713.0305  0.0517 -5.8096 3  928.7208436  5951614045449 5 4    5448 6 4      C-13-H3C(O)CH3
  289798.1470  0.0094 -6.1544 3   29.5718184  59516140411 9 3 2    10 6 5 2      C-13-H3C(O)CH3
  289849.4791  0.0138 -5.4215 3  186.2754212  595161404261710 4    2518 8 4      C-13-H3C(O)CH3
  289915.9759  0.0093 -5.0531 3  222.6640456  5951614042820 9 0    2721 6 0      C-13-H3C(O)CH3
  289940.1515  0.0172 -5.3402 3   69.0421132 -5951614041612 5 4    1511 4 4      C-13-H3C(O)CH3
  289941.9615  0.0597 -5.8201 3  567.0698364  595161404452916 3    452619 3      C-13-H3C(O)CH3
  289985.7044  0.0685 -5.8918 3 1072.4610476  5951614045950 9 4    594910 4      C-13-H3C(O)CH3
  290018.3866  0.0536 -5.5907 3 1072.4339952  5951614045950 9 2    594910 2      C-13-H3C(O)CH3
  290039.3351  0.0067 -4.9350 3  479.4469372  595161404461334 4    461135 4      C-13-H3C(O)CH3
  290039.3351  0.0067 -5.1926 3  479.4469372  595161404461234 4    461135 4      C-13-H3C(O)CH3
  290039.3351  0.0067 -5.1926 3  479.4469372  595161404461334 4    461235 4      C-13-H3C(O)CH3
  290039.3351  0.0067 -4.9350 3  479.4469372  595161404461234 4    461235 4      C-13-H3C(O)CH3
  290039.4895  0.0067 -4.8312 3  479.4469372  595161404461334 3    461235 3      C-13-H3C(O)CH3
  290039.4895  0.0067 -5.4835 3  479.4469372  595161404461334 3    461135 3      C-13-H3C(O)CH3
  290039.4895  0.0067 -5.4835 3  479.4469372  595161404461234 3    461235 3      C-13-H3C(O)CH3
  290039.4895  0.0067 -4.8312 3  479.4469372  595161404461234 3    461135 3      C-13-H3C(O)CH3
  290040.0065  0.0065 -4.6172 3  479.4761744  595161404461334 2    461235 2      C-13-H3C(O)CH3
  290040.0065  0.0065 -4.9237 3  479.4761744  595161404461334 2    461135 2      C-13-H3C(O)CH3
  290040.0065  0.0065 -4.6172 3  479.4761744  595161404461234 2    461135 2      C-13-H3C(O)CH3
  290040.0065  0.0065 -4.9237 3  479.4761744  595161404461234 2    461235 2      C-13-H3C(O)CH3
  290041.8580  0.0066 -5.1900 3  479.4768744  595161404461334 1    461135 1      C-13-H3C(O)CH3
  290041.8580  0.0066 -4.5286 3  479.4768744  595161404461234 1    461135 1      C-13-H3C(O)CH3
  290041.8580  0.0066 -5.1900 3  479.4768744  595161404461234 1    461235 1      C-13-H3C(O)CH3
  290041.8580  0.0066 -4.5286 3  479.4768744  595161404461334 1    461235 1      C-13-H3C(O)CH3
  290042.0969  0.0591 -5.8918 3 1072.4440476  5951614045950 9 3    594910 3      C-13-H3C(O)CH3
  290042.3816  0.0051 -4.9755 3  479.5060744  595161404461234 0    461235 0      C-13-H3C(O)CH3
  290042.3816  0.0051 -4.9755 3  479.5060744  595161404461334 0    461135 0      C-13-H3C(O)CH3
  290042.3816  0.0051 -4.5938 3  479.5060744  595161404461234 0    461135 0      C-13-H3C(O)CH3
  290042.3816  0.0051 -4.5938 3  479.5060744  595161404461334 0    461235 0      C-13-H3C(O)CH3
  290087.9340  0.0601 -5.8917 3 1072.4317476  595161404595010 3    594911 3      C-13-H3C(O)CH3
  290112.1193  0.0088 -5.0722 3  222.6533456  5951614042820 8 2    2721 6 2      C-13-H3C(O)CH3
  290120.3851  0.0489 -5.5905 3 1072.4047952  595161404595010 2    594911 2      C-13-H3C(O)CH3
  290133.5026  0.1657 -6.4558 3 1474.3326572  595161404715318 3    715219 3      C-13-H3C(O)CH3
  290134.4198  0.1441 -6.4557 3 1474.2800572  595161404715319 4    715220 4      C-13-H3C(O)CH3
  290137.6869  0.0174 -5.6041 3  337.5646568  595161404352114 2    351817 2      C-13-H3C(O)CH3
  290144.3513  0.0622 -5.8916 3 1072.4147476  595161404595010 4    594911 4      C-13-H3C(O)CH3
  290147.6133  0.0518 -5.5905 3 1072.4316952  5951614045950 9 1    594910 1      C-13-H3C(O)CH3
  290156.8577  0.1895 -6.6375 3 1631.1630628  595161404784038 4    783939 4      C-13-H3C(O)CH3
  290156.9258  0.1895 -6.6375 3 1631.1630628  595161404784038 3    783939 3      C-13-H3C(O)CH3
  290158.0974  0.1894 -6.6375 3 1631.1631628  595161404784138 4    784039 4      C-13-H3C(O)CH3
  290158.1665  0.1893 -6.6375 3 1631.1630628  595161404784138 3    784039 3      C-13-H3C(O)CH3
  290169.2823  0.0157 -5.5077 3  286.8665504  5951614043125 7 0    3026 4 0      C-13-H3C(O)CH3
  290169.3522  0.0157 -5.5077 3  286.8665504  5951614043125 6 0    3026 5 0      C-13-H3C(O)CH3
  290179.3241  0.0430 -5.5904 3 1072.4045952  595161404595010 0    594911 0      C-13-H3C(O)CH3
  290179.3241  0.0430 -5.5904 3 1072.4045952  5951614045950 9 0    594910 0      C-13-H3C(O)CH3
  290183.2305  0.0730 -5.8364 3  567.0700364  595161404452916 4    452619 4      C-13-H3C(O)CH3
  290183.8531  0.0094 -5.0522 3  222.6639456  5951614042820 8 0    2721 7 0      C-13-H3C(O)CH3
  290186.1283  0.1970 -6.3364 3 1631.1540C56  595161404784038 1    783939 1      C-13-H3C(O)CH3
  290187.3872  0.1971 -6.3364 3 1631.1540C56  595161404784138 1    784039 1      C-13-H3C(O)CH3
  290191.9929  0.1938 -6.3364 3 1631.1573C56  595161404784038 2    783939 2      C-13-H3C(O)CH3
  290193.0845  0.1937 -6.3364 3 1631.1573C56  595161404784138 2    784039 2      C-13-H3C(O)CH3
  290203.2750  0.1837 -6.4557 3 1474.3799572  595161404715318 4    715219 4      C-13-H3C(O)CH3
  290203.4728  0.0469 -5.5904 3 1072.4146952  595161404595010 1    594911 1      C-13-H3C(O)CH3
  290204.4133  0.1641 -6.4556 3 1474.3272572  595161404715319 3    715220 3      C-13-H3C(O)CH3
  290216.3567  0.0271 -6.4202 3  222.6035228  5951614042820 9 3    2721 6 3      C-13-H3C(O)CH3
  290221.1362  0.1984 -6.3363 3 1631.1483C56  595161404784038 0    783939 0      C-13-H3C(O)CH3
  290222.2441  0.1985 -6.3362 3 1631.1483C56  595161404784138 0    784039 0      C-13-H3C(O)CH3
  290237.7008  0.0131 -4.9440 3  847.5923936  595161404582435 0    582336 0      C-13-H3C(O)CH3
  290237.7008  0.0131 -4.9441 3  847.5923936  595161404582335 0    582236 0      C-13-H3C(O)CH3
  290259.8910  0.0048 -6.1960 3   28.1184 92  59516140411 8 3 3    10 5 6 3      C-13-H3C(O)CH3
  290282.3456  0.0138 -5.6052 3  337.5928568  595161404352114 0    351817 0      C-13-H3C(O)CH3
  290288.8755  0.0151 -4.9437 3  847.5925936  595161404582335 1    582236 1      C-13-H3C(O)CH3
  290288.8755  0.0151 -4.9436 3  847.5925936  595161404582435 1    582336 1      C-13-H3C(O)CH3
  290291.4343  0.0190 -4.9486 3  847.5926936  595161404582335 2    582236 2      C-13-H3C(O)CH3
  290291.4343  0.0190 -6.8572 3  847.5926936  595161404582335 2    582336 2      C-13-H3C(O)CH3
  290291.4343  0.0190 -6.8580 3  847.5926936  595161404582435 2    582236 2      C-13-H3C(O)CH3
  290291.4343  0.0190 -4.9486 3  847.5926936  595161404582435 2    582336 2      C-13-H3C(O)CH3
  290330.2305  0.6425 -7.0096 3 1959.0009D36  595161404835727 1    835628 1      C-13-H3C(O)CH3
  290342.6940  0.0182 -5.2442 3  847.5928468  595161404582435 3    582336 3      C-13-H3C(O)CH3
  290342.6940  0.0182 -5.2443 3  847.5928468  595161404582335 3    582236 3      C-13-H3C(O)CH3
  290342.8295  0.0184 -6.7745 3  847.5928468  595161404582435 4    582336 4      C-13-H3C(O)CH3
  290342.8295  0.0184 -5.2571 3  847.5928468  595161404582435 4    582236 4      C-13-H3C(O)CH3
  290342.8295  0.0184 -6.7736 3  847.5928468  595161404582335 4    582236 4      C-13-H3C(O)CH3
  290342.8295  0.0184 -5.2571 3  847.5928468  595161404582335 4    582336 4      C-13-H3C(O)CH3
  290350.9927  0.1679 -6.1543 3 1474.3449B44  595161404715318 1    715219 1      C-13-H3C(O)CH3
  290351.0940  0.0204 -5.9060 3  337.5419284  595161404352114 4    351817 4      C-13-H3C(O)CH3
  290351.9014  0.0092 -5.0718 3  222.6240456  5951614042820 9 2    2721 7 2      C-13-H3C(O)CH3
  290352.1464  0.1450 -6.1542 3 1474.2923B44  595161404715319 1    715220 1      C-13-H3C(O)CH3
  290356.6272  0.0197 -5.9060 3  337.5419284  595161404352114 3    351817 3      C-13-H3C(O)CH3
  290360.6906  0.0154 -5.5077 3  286.8101504  5951614043125 7 1    3026 5 1      C-13-H3C(O)CH3
  290364.1398  0.0090 -5.0589 3  222.6437456  5951614042820 8 1    2721 6 1      C-13-H3C(O)CH3
  290368.3250  0.1481 -6.1542 3 1474.2976B44  595161404715319 2    715220 2      C-13-H3C(O)CH3
  290369.5107  0.0063 -6.1593 3   29.6280 92  59516140411 9 2 3    10 6 5 3      C-13-H3C(O)CH3
  290393.5645  0.0127 -5.3545 3  222.6329228  5951614042820 8 4    2721 6 4      C-13-H3C(O)CH3
  290401.9438  0.0089 -5.0597 3  222.6078456  5951614042820 9 1    2721 7 1      C-13-H3C(O)CH3
  290413.7022  0.0101 -5.3909 3  222.5969228  5951614042820 9 3    2721 7 3      C-13-H3C(O)CH3
  290438.0411  0.1687 -6.1541 3 1474.3449B44  595161404715318 2    715219 2      C-13-H3C(O)CH3
  290453.0838  0.0148 -5.5059 3  286.8316504  5951614043125 6 2    3026 4 2      C-13-H3C(O)CH3
  290469.9429  0.6663 -7.0094 3 1959.0375D36  595161404835726 1    835627 1      C-13-H3C(O)CH3
  290494.6971  0.0155 -5.6061 3  337.5701568  595161404352114 1    351817 1      C-13-H3C(O)CH3
  290533.7716  0.0156 -5.5064 3  286.8128504  5951614043125 6 1    3026 4 1      C-13-H3C(O)CH3
  290534.1715  0.0442 -5.4309 3 1135.8406A64  595161404663036 1    662937 1      C-13-H3C(O)CH3
  290534.1721  0.0442 -5.4309 3 1135.8406A64  595161404663136 1    663037 1      C-13-H3C(O)CH3
  290536.3618  0.0497 -5.7319 3 1135.8587532  595161404663036 3    662937 3      C-13-H3C(O)CH3
  290536.3624  0.0497 -5.7319 3 1135.8587532  595161404663136 3    663037 3      C-13-H3C(O)CH3
  290536.4067  0.0498 -5.7319 3 1135.8588532  595161404663036 4    662937 4      C-13-H3C(O)CH3
  290536.4074  0.0498 -5.7319 3 1135.8588532  595161404663136 4    663037 4      C-13-H3C(O)CH3
  290536.8903  0.0432 -5.4309 3 1135.8241A64  595161404663036 0    662937 0      C-13-H3C(O)CH3
  290536.8908  0.0432 -5.4309 3 1135.8241A64  595161404663136 0    663037 0      C-13-H3C(O)CH3
  290539.0422  0.0489 -5.4309 3 1135.8422A64  595161404663036 2    662937 2      C-13-H3C(O)CH3
  290539.0428  0.0489 -5.4309 3 1135.8422A64  595161404663136 2    663037 2      C-13-H3C(O)CH3
  290545.5271  0.0065 -4.7552 3  451.7431364  595161404451234 4    451035 4      C-13-H3C(O)CH3
  290545.5271  0.0065 -4.7552 3  451.7431364  595161404451134 4    451135 4      C-13-H3C(O)CH3
  290545.5685  0.0065 -5.8295 3  451.7431364 -595161404451234 4    451135 4      C-13-H3C(O)CH3
  290545.5685  0.0065 -5.8295 3  451.7431364 -595161404451134 4    451035 4      C-13-H3C(O)CH3
  290545.7330  0.0065 -4.7550 3  451.7431364  595161404451234 3    451035 3      C-13-H3C(O)CH3
  290545.7330  0.0065 -5.8320 3  451.7431364  595161404451234 3    451135 3      C-13-H3C(O)CH3
  290545.7330  0.0065 -4.7550 3  451.7431364  595161404451134 3    451135 3      C-13-H3C(O)CH3
  290545.7330  0.0065 -5.8320 3  451.7431364  595161404451134 3    451035 3      C-13-H3C(O)CH3
  290558.8745  0.0156 -5.5065 3  286.8181504  5951614043125 7 2    3026 5 2      C-13-H3C(O)CH3
  290564.7144  0.0478 -5.5298 3  903.3373856  5951614045349 5 2    5348 6 2      C-13-H3C(O)CH3
  290569.6824  0.0064 -4.4296 3  451.7712728  595161404451234 2    451035 2      C-13-H3C(O)CH3
  290569.6824  0.0064 -6.0329 3  451.7712728  595161404451234 2    451135 2      C-13-H3C(O)CH3
  290569.6824  0.0064 -6.0329 3  451.7712728  595161404451134 2    451035 2      C-13-H3C(O)CH3
  290569.6824  0.0064 -4.4296 3  451.7712728  595161404451134 2    451135 2      C-13-H3C(O)CH3
  290571.6602  0.0066 -4.4796 3  451.7719728  595161404451234 1    451135 1      C-13-H3C(O)CH3
  290571.6602  0.0066 -4.4796 3  451.7719728  595161404451134 1    451035 1      C-13-H3C(O)CH3
  290571.6602  0.0066 -5.3040 3  451.7719728  595161404451134 1    451135 1      C-13-H3C(O)CH3
  290571.6602  0.0066 -5.3040 3  451.7719728  595161404451234 1    451035 1      C-13-H3C(O)CH3
  290574.1722  0.6157 -7.0090 3 1958.9871D36  595161404835727 2    835628 2      C-13-H3C(O)CH3
  290577.3331  0.0399 -5.5299 3  903.3274856  5951614045349 4 0    5348 5 0      C-13-H3C(O)CH3
  290577.3331  0.0399 -5.5299 3  903.3274856  5951614045349 5 0    5348 6 0      C-13-H3C(O)CH3
  290580.1728  0.6115 -7.0091 3 1959.0099D36  595161404835726 2    835627 2      C-13-H3C(O)CH3
  290585.7279  0.1695 -6.1537 3 1474.3100B44  595161404715318 0    715219 0      C-13-H3C(O)CH3
  290585.7292  0.1695 -6.1537 3 1474.3100B44  595161404715319 0    715220 0      C-13-H3C(O)CH3
  290595.4350  0.0052 -4.4638 3  451.7999728 -595161404451234 0    451135 0      C-13-H3C(O)CH3
  290595.4350  0.0052 -4.4638 3  451.7999728 -595161404451134 0    451035 0      C-13-H3C(O)CH3
  290595.5812  0.0052 -5.4265 3  451.7999728  595161404451134 0    451135 0      C-13-H3C(O)CH3
  290595.5812  0.0052 -5.4265 3  451.7999728  595161404451234 0    451035 0      C-13-H3C(O)CH3
  290641.0536  0.0165 -5.8070 3  286.7751252  5951614043125 6 3    3026 4 3      C-13-H3C(O)CH3
  290643.0229  0.7429 -7.0090 3 1959.0132D36  595161404835726 0    835627 0      C-13-H3C(O)CH3
  290646.5261  0.7427 -7.0089 3 1959.0131D36  595161404835727 0    835628 0      C-13-H3C(O)CH3
  290664.5235  0.0024 -5.7707 3  139.9842228  59516140428 326 3    27 225 3      C-13-H3C(O)CH3
  290664.5235  0.0024 -5.7707 3  139.9842228  59516140428 226 3    27 325 3      C-13-H3C(O)CH3
  290664.5522  0.0024 -4.0031 3  139.9843228  59516140428 226 4    27 225 4      C-13-H3C(O)CH3
  290664.5522  0.0024 -4.1403 3  139.9843228  59516140428 326 4    27 225 4      C-13-H3C(O)CH3
  290664.5714  0.0024 -4.1403 3  139.9843228 -59516140428 226 4    27 325 4      C-13-H3C(O)CH3
  290664.5714  0.0024 -4.0031 3  139.9843228 -59516140428 326 4    27 325 4      C-13-H3C(O)CH3
  290664.5714  0.0024 -3.7696 3  139.9842228 -59516140428 226 3    27 225 3      C-13-H3C(O)CH3
  290664.5714  0.0024 -3.7696 3  139.9842228 -59516140428 326 3    27 325 3      C-13-H3C(O)CH3
  290696.6522  0.0025 -3.5022 3  139.9402456  59516140428 226 1    27 325 1      C-13-H3C(O)CH3
  290696.6522  0.0025 -4.7763 3  139.9402456  59516140428 326 1    27 325 1      C-13-H3C(O)CH3
  290696.7502  0.0025 -3.4858 3  139.9402456 -59516140428 326 1    27 225 1      C-13-H3C(O)CH3
  290696.7502  0.0024 -3.7435 3  139.9397456 -59516140428 226 2    27 225 2      C-13-H3C(O)CH3
  290696.7502  0.0025 -4.5393 3  139.9402456 -59516140428 226 1    27 225 1      C-13-H3C(O)CH3
  290696.7502  0.0024 -3.7879 3  139.9397456 -59516140428 326 2    27 225 2      C-13-H3C(O)CH3
  290696.8027  0.0024 -3.7879 3  139.9397456  59516140428 226 2    27 325 2      C-13-H3C(O)CH3
  290696.8027  0.0024 -3.7435 3  139.9397456  59516140428 326 2    27 325 2      C-13-H3C(O)CH3
  290711.8820  0.0580 -5.8308 3  903.3768428  5951614045349 5 3    5348 5 3      C-13-H3C(O)CH3
  290717.6730  0.0100 -5.3895 3  222.6035228  5951614042820 8 3    2721 6 3      C-13-H3C(O)CH3
  290724.2329  0.0414 -5.5298 3  903.3670856  5951614045349 4 1    5348 5 1      C-13-H3C(O)CH3
  290726.1479  0.0665 -5.8306 3  903.3624428  5951614045349 5 4    5348 6 4      C-13-H3C(O)CH3
  290728.8462  0.0021 -3.5070 3  139.8957456  59516140428 326 0    27 225 0      C-13-H3C(O)CH3
  290728.8462  0.0021 -4.4893 3  139.8957456  59516140428 226 0    27 225 0      C-13-H3C(O)CH3
  290728.8661  0.0021 -3.5070 3  139.8957456 -59516140428 226 0    27 325 0      C-13-H3C(O)CH3
  290728.8661  0.0021 -4.4893 3  139.8957456 -59516140428 326 0    27 325 0      C-13-H3C(O)CH3
  290733.8305  0.0108 -5.3546 3  222.5676228  5951614042820 9 4    2721 7 4      C-13-H3C(O)CH3
  290739.2851  0.0454 -5.5296 3  903.3527856  5951614045349 5 1    5348 6 1      C-13-H3C(O)CH3
  290746.5927  0.0174 -5.8076 3  286.7617252  5951614043125 7 4    3026 5 4      C-13-H3C(O)CH3
  290753.9154  0.0430 -5.5297 3  903.3473856  5951614045349 4 2    5348 5 2      C-13-H3C(O)CH3
  290766.6193  0.0050 -5.9146 3   28.0599184  59516140411 8 3 2    10 5 6 2      C-13-H3C(O)CH3
  290784.3863  0.0047 -5.9217 3   28.0608184  59516140411 8 3 1    10 5 6 1      C-13-H3C(O)CH3
  290815.2645  0.0187 -5.8057 3  286.7777252  5951614043125 6 4    3026 4 4      C-13-H3C(O)CH3
  290845.5051  0.0332 -5.5145 3  590.0680744  595161404462917 0    462620 0      C-13-H3C(O)CH3
  290875.1341  0.0142 -5.8107 3  344.8125584  595161404361918 1    352015 1      C-13-H3C(O)CH3
  290901.4497  0.0117 -6.3657 3  445.6036332  595161404412021 3    402318 3      C-13-H3C(O)CH3
  290902.2025  0.0561 -5.8306 3  903.3868428  5951614045349 4 4    5348 5 4      C-13-H3C(O)CH3
  290902.2585  0.0049 -5.8870 3   28.0025184  59516140411 8 3 0    10 5 6 0      C-13-H3C(O)CH3
  290902.9336  0.0118 -6.3657 3  445.6035332  595161404412021 4    402318 4      C-13-H3C(O)CH3
  290905.1810  0.0113 -6.0658 3  445.6304664  595161404412021 1    402318 1      C-13-H3C(O)CH3
  290915.0186  0.0270 -6.4182 3  222.5969228  5951614042820 8 3    2721 7 3      C-13-H3C(O)CH3
  290916.3351  0.0591 -5.8304 3  903.3724428  5951614045349 4 3    5348 6 3      C-13-H3C(O)CH3
  290919.6259  0.0159 -5.8063 3  286.7643252  5951614043125 7 3    3026 5 3      C-13-H3C(O)CH3
  290936.3862  0.0053 -6.2759 3   28.1183 92  59516140411 8 3 4    10 5 6 4      C-13-H3C(O)CH3
  290966.1635  0.0118 -6.0634 3  445.6250664  595161404412021 2    402318 2      C-13-H3C(O)CH3
  290968.7830  0.0099 -6.0646 3  445.6519664  595161404412021 0    402318 0      C-13-H3C(O)CH3
  290975.0880  0.0970 -6.0403 3 1198.3679508  595161404635112 4    635013 4      C-13-H3C(O)CH3
  290990.7712  0.0226 -6.3848 3  222.6240456  5951614042820 8 2    2721 7 2      C-13-H3C(O)CH3
  290990.9205  0.0158 -6.1100 3  344.7803292  595161404361918 4    352015 4      C-13-H3C(O)CH3
  290999.4704  0.0175 -6.1100 3  344.7800292  595161404361918 3    352015 3      C-13-H3C(O)CH3
  291010.3232  0.1934 -6.6477 3 1588.5484596  595161404745421 4    745322 4      C-13-H3C(O)CH3
  291011.0665  0.0770 -6.0402 3 1198.3245508  595161404635113 3    635014 3      C-13-H3C(O)CH3
  291016.3640  0.0064 -5.6616 3  424.6270356  595161404441134 4    441035 4      C-13-H3C(O)CH3
  291016.3640  0.0064 -4.7512 3  424.6270356  595161404441034 4    441035 4      C-13-H3C(O)CH3
  291016.3640  0.0064 -5.9432 3  424.6270356  595161404441034 4    44 935 4      C-13-H3C(O)CH3
  291016.3640  0.0064 -4.7265 3  424.6270356  595161404441134 4    44 935 4      C-13-H3C(O)CH3
  291016.6173  0.0063 -6.2704 3  424.6270356  595161404441034 3    44 935 3      C-13-H3C(O)CH3
  291016.6173  0.0063 -4.7128 3  424.6270356  595161404441134 3    44 935 3      C-13-H3C(O)CH3
  291016.6173  0.0063 -5.9385 3  424.6270356  595161404441134 3    441035 3      C-13-H3C(O)CH3
  291016.6173  0.0063 -4.7268 3  424.6270356  595161404441034 3    441035 3      C-13-H3C(O)CH3
  291038.9680  0.2254 -6.6478 3 1588.6016596  595161404745420 3    745321 3      C-13-H3C(O)CH3
  291039.3780  0.0844 -6.0401 3 1198.3337508  595161404635112 3    635013 3      C-13-H3C(O)CH3
  291042.9395  0.0112 -5.8084 3  344.8308584  595161404361918 0    352015 0      C-13-H3C(O)CH3
  291068.3668  0.0064 -4.4408 3  424.6528712  595161404441034 2    441035 2      C-13-H3C(O)CH3
  291068.3668  0.0064 -4.4408 3  424.6528712  595161404441134 2    44 935 2      C-13-H3C(O)CH3
  291068.3742  0.0064 -5.4435 3  424.6528712 -595161404441134 2    441035 2      C-13-H3C(O)CH3
  291068.3742  0.0064 -5.4435 3  424.6528712 -595161404441034 2    44 935 2      C-13-H3C(O)CH3
  291070.4101  0.0065 -4.6109 3  424.6535712  595161404441134 1    44 935 1      C-13-H3C(O)CH3
  291070.4101  0.0065 -4.6109 3  424.6535712  595161404441034 1    441035 1      C-13-H3C(O)CH3
  291070.4906  0.0065 -4.8142 3  424.6535712 -595161404441034 1    44 935 1      C-13-H3C(O)CH3
  291070.4906  0.0065 -4.8142 3  424.6535712 -595161404441134 1    441035 1      C-13-H3C(O)CH3
  291075.1883  0.0783 -6.0400 3 1198.2903508  595161404635113 4    635014 4      C-13-H3C(O)CH3
  291075.3539  0.1077 -6.2307 3 1332.2762540  595161404675216 3    675117 3      C-13-H3C(O)CH3
  291085.3725  0.2073 -6.6477 3 1588.5915596  595161404745421 3    745322 3      C-13-H3C(O)CH3
  291100.8944  0.1354 -6.2308 3 1332.3253540  595161404675215 4    675116 4      C-13-H3C(O)CH3
  291104.0118  0.0768 -5.7389 3 1198.3379A16  595161404635112 2    635013 2      C-13-H3C(O)CH3
  291105.1112  0.0088 -6.1232 3  142.7819376  5951614042314 9 2    2215 7 2      C-13-H3C(O)CH3
  291110.5605  0.0306 -5.5145 3  590.0491744  595161404462917 1    462620 1      C-13-H3C(O)CH3
  291113.9278  0.2337 -6.6478 3 1588.6447596  595161404745420 4    745321 4      C-13-H3C(O)CH3
  291121.0983  0.1006 -6.2306 3 1332.2297540  595161404675216 4    675117 4      C-13-H3C(O)CH3
  291122.0235  0.0054 -4.4019 3  424.6793712 -595161404441034 0    44 935 0      C-13-H3C(O)CH3
  291122.0868  0.0054 -4.4019 3  424.6793712  595161404441134 0    441035 0      C-13-H3C(O)CH3
  291122.0868  0.0054 -6.6608 3  424.6793712  595161404441034 0    441035 0      C-13-H3C(O)CH3
  291122.0868  0.0054 -6.6608 3  424.6793712  595161404441134 0    44 935 0      C-13-H3C(O)CH3
  291139.9645  0.0612 -5.7388 3 1198.2945A16  595161404635113 2    635014 2      C-13-H3C(O)CH3
  291146.9113  0.1195 -6.2306 3 1332.2787540  595161404675215 3    675116 3      C-13-H3C(O)CH3
  291162.2155  0.0139 -5.8137 3  142.7954188  5951614042314 9 4    2215 7 4      C-13-H3C(O)CH3
  291165.6683  0.0705 -5.7388 3 1198.3310A16  595161404635112 1    635013 1      C-13-H3C(O)CH3
  291167.2131  0.0144 -5.8066 3  344.7983584  595161404361918 2    352015 2      C-13-H3C(O)CH3
  291174.4688  0.0181 -6.8590 3  156.5992188  5951614042319 4 3    2316 7 3      C-13-H3C(O)CH3
  291196.8158  0.0642 -6.9823 3  655.5361792  595161404492822 2    483117 2      C-13-H3C(O)CH3
  291207.8916  0.2083 -6.3463 3 1588.5640B92  595161404745421 1    745322 1      C-13-H3C(O)CH3
  291210.5932  0.0738 -6.9558 3  511.9730696  595161404432617 2    422914 2      C-13-H3C(O)CH3
  291220.1917  0.0118 -4.9579 3  812.9103920  595161404572235 0    572236 0      C-13-H3C(O)CH3
  291220.1917  0.0118 -5.7077 3  812.9103920  595161404572335 0    572236 0      C-13-H3C(O)CH3
  291220.1917  0.0118 -4.9578 3  812.9103920  595161404572335 0    572136 0      C-13-H3C(O)CH3
  291220.1917  0.0118 -5.7070 3  812.9103920  595161404572235 0    572136 0      C-13-H3C(O)CH3
  291229.6302  0.0641 -5.7387 3 1198.2968A16  595161404635113 1    635014 1      C-13-H3C(O)CH3
  291236.2643  0.2464 -6.3464 3 1588.6172B92  595161404745420 1    745321 1      C-13-H3C(O)CH3
  291250.8087  0.0341 -5.5149 3  590.0413744  595161404462917 2    462620 2      C-13-H3C(O)CH3
  291269.7527  0.4440 -6.7744 3 1830.9076C88  595161404805625 1    805526 1      C-13-H3C(O)CH3
  291274.6787  0.0894 -5.9292 3 1332.2433A80  595161404675216 2    675117 2      C-13-H3C(O)CH3
  291277.3264  0.0137 -5.8927 3  812.9071920  595161404572335 1    572236 1      C-13-H3C(O)CH3
  291277.3264  0.0137 -4.9315 3  812.9071920  595161404572335 1    572136 1      C-13-H3C(O)CH3
  291277.3264  0.0137 -5.8830 3  812.9071920  595161404572235 1    572136 1      C-13-H3C(O)CH3
  291277.3264  0.0137 -4.9326 3  812.9071920  595161404572235 1    572236 1      C-13-H3C(O)CH3
  291279.4476  0.0168 -6.8469 3  812.9070920  595161404572335 2    572236 2      C-13-H3C(O)CH3
  291279.4476  0.0168 -4.8913 3  812.9070920  595161404572335 2    572136 2      C-13-H3C(O)CH3
  291279.4476  0.0168 -6.8634 3  812.9070920  595161404572235 2    572136 2      C-13-H3C(O)CH3
  291279.4476  0.0168 -4.8911 3  812.9070920  595161404572235 2    572236 2      C-13-H3C(O)CH3
  291281.8944  0.2137 -6.3462 3 1588.5679B92  595161404745421 2    745322 2      C-13-H3C(O)CH3
  291283.3639  0.1027 -5.9293 3 1332.2863A80  595161404675215 1    675116 1      C-13-H3C(O)CH3
  291293.8980  0.0538 -5.7385 3 1198.3010A16  595161404635112 0    635013 0      C-13-H3C(O)CH3
  291293.8980  0.0538 -5.7385 3 1198.3010A16  595161404635113 0    635014 0      C-13-H3C(O)CH3
  291300.1878  0.1125 -5.9293 3 1332.2924A80  595161404675215 2    675116 2      C-13-H3C(O)CH3
  291316.4320  0.0065 -5.8132 3   29.5172184  59516140411 9 2 0    10 6 5 0      C-13-H3C(O)CH3
  291329.2199  0.0930 -5.9292 3 1332.2398A80  595161404675216 1    675117 1      C-13-H3C(O)CH3
  291333.0962  0.0986 -6.1572 3 1373.4209580  595161404723537 4    723438 4      C-13-H3C(O)CH3
  291333.1244  0.0986 -6.1572 3 1373.4209580  595161404723537 3    723438 3      C-13-H3C(O)CH3
  291333.1315  0.0986 -6.1572 3 1373.4209580  595161404723637 4    723538 4      C-13-H3C(O)CH3
  291333.1599  0.0986 -6.1572 3 1373.4209580  595161404723637 3    723538 3      C-13-H3C(O)CH3
  291336.6717  0.0160 -5.2606 3  812.9038460  595161404572335 3    572236 3      C-13-H3C(O)CH3
  291336.6717  0.0160 -5.2603 3  812.9038460  595161404572235 3    572136 3      C-13-H3C(O)CH3
  291336.6717  0.0160 -5.9958 3  812.9038460  595161404572335 3    572136 3      C-13-H3C(O)CH3
  291336.6717  0.0160 -5.9973 3  812.9038460  595161404572235 3    572236 3      C-13-H3C(O)CH3
  291336.8105  0.0161 -5.1890 3  812.9038460  595161404572335 4    572136 4      C-13-H3C(O)CH3
  291336.8105  0.0161 -5.1890 3  812.9038460  595161404572235 4    572236 4      C-13-H3C(O)CH3
  291356.7359  0.2329 -6.3462 3 1588.6111B92  595161404745420 2    745321 2      C-13-H3C(O)CH3
  291358.0512  0.0996 -5.8561 3 1373.4029B60  595161404723537 1    723438 1      C-13-H3C(O)CH3
  291358.0859  0.0996 -5.8561 3 1373.4029B60  595161404723637 1    723538 1      C-13-H3C(O)CH3
  291363.1244  0.0997 -5.8561 3 1373.4057B60  595161404723537 2    723438 2      C-13-H3C(O)CH3
  291363.1536  0.0997 -5.8561 3 1373.4057B60  595161404723637 2    723538 2      C-13-H3C(O)CH3
  291370.8742  0.4950 -6.7743 3 1830.9523C88  595161404805624 1    805525 1      C-13-H3C(O)CH3
  291371.5095  0.2626 -6.8545 3 1707.4134620  595161404775523 4    775424 4      C-13-H3C(O)CH3
  291383.2559  0.0094 -5.8950 3  142.7847376  5951614042314 9 1    2215 7 1      C-13-H3C(O)CH3
  291388.0412  0.1000 -5.8560 3 1373.3878B60  595161404723537 0    723438 0      C-13-H3C(O)CH3
  291388.0697  0.1000 -5.8560 3 1373.3878B60  595161404723637 0    723538 0      C-13-H3C(O)CH3
  291432.0932  0.0437 -6.9753 3  655.5311792  595161404492822 1    483117 1      C-13-H3C(O)CH3
  291434.9694  0.2982 -6.8546 3 1707.4639620  595161404775522 3    775423 3      C-13-H3C(O)CH3
  291437.5298  0.2621 -6.8545 3 1707.4504620  595161404775523 3    775424 3      C-13-H3C(O)CH3
  291439.7158  0.0194 -6.8003 3  222.6078456  5951614042820 8 1    2721 7 1      C-13-H3C(O)CH3
  291453.3587  0.0065 -5.4485 3  398.0999348  595161404431034 4    43 835 4      C-13-H3C(O)CH3
  291453.3587  0.0065 -5.4485 3  398.0999348  59516140443 934 4    43 935 4      C-13-H3C(O)CH3
  291453.3853  0.0065 -4.7699 3  398.0999348 -59516140443 934 4    43 835 4      C-13-H3C(O)CH3
  291453.3853  0.0065 -4.7699 3  398.0999348 -595161404431034 4    43 935 4      C-13-H3C(O)CH3
  291453.5969  0.0063 -5.2150 3  398.0999348 -59516140443 934 3    43 935 3      C-13-H3C(O)CH3
  291453.5969  0.0063 -5.2150 3  398.0999348 -595161404431034 3    43 835 3      C-13-H3C(O)CH3
  291453.6503  0.0063 -4.8401 3  398.0999348  595161404431034 3    43 935 3      C-13-H3C(O)CH3
  291453.6503  0.0063 -4.8401 3  398.0999348  59516140443 934 3    43 835 3      C-13-H3C(O)CH3
  291464.0962  0.4381 -6.7740 3 1830.9017C88  595161404805625 2    805526 2      C-13-H3C(O)CH3
  291470.6702  0.0236 -5.8146 3  590.0223372  595161404462917 3    462620 3      C-13-H3C(O)CH3
  291479.2495  0.2575 -6.3458 3 1588.5837B92  595161404745420 0    745321 0      C-13-H3C(O)CH3
  291479.2606  0.2575 -6.3458 3 1588.5837B92  595161404745421 0    745322 0      C-13-H3C(O)CH3
  291482.3083  0.0906 -5.9288 3 1332.2535A80  595161404675216 0    675117 0      C-13-H3C(O)CH3
  291482.3083  0.0906 -5.9288 3 1332.2535A80  595161404675215 0    675116 0      C-13-H3C(O)CH3
  291496.7474  0.0511 -5.5727 3 1044.6025936  5951614045850 8 2    5849 9 2      C-13-H3C(O)CH3
  291500.8773  0.0651 -5.8738 3 1044.6286468  5951614045850 8 4    5849 9 4      C-13-H3C(O)CH3
  291501.0463  0.2959 -6.8545 3 1707.5009620  595161404775522 4    775423 4      C-13-H3C(O)CH3
  291506.6761  0.4462 -6.7740 3 1830.9316C88  595161404805624 2    805525 2      C-13-H3C(O)CH3
  291534.7156  0.3037 -6.5532 3 1707.4325C40  595161404775523 1    775424 1      C-13-H3C(O)CH3
  291537.7622  0.0063 -5.6383 3  398.1220696 -595161404431034 2    43 835 2      C-13-H3C(O)CH3
  291537.7622  0.0063 -4.4109 3  398.1220696 -59516140443 934 2    43 835 2      C-13-H3C(O)CH3
  291537.8037  0.0063 -5.6383 3  398.1220696  59516140443 934 2    43 935 2      C-13-H3C(O)CH3
  291537.8037  0.0063 -4.4109 3  398.1220696  595161404431034 2    43 935 2      C-13-H3C(O)CH3
  291539.8512  0.0064 -4.4413 3  398.1227696  59516140443 934 1    43 935 1      C-13-H3C(O)CH3
  291539.8512  0.0064 -4.4413 3  398.1227696  595161404431034 1    43 835 1      C-13-H3C(O)CH3
  291539.9319  0.0064 -5.3081 3  398.1227696 -595161404431034 1    43 935 1      C-13-H3C(O)CH3
  291539.9319  0.0064 -5.3081 3  398.1227696 -59516140443 934 1    43 835 1      C-13-H3C(O)CH3
  291549.3129  0.0559 -5.8738 3 1044.6169468  5951614045850 8 3    5849 9 3      C-13-H3C(O)CH3
  291570.3795  0.0319 -5.8174 3  590.0224372  595161404462917 4    462620 4      C-13-H3C(O)CH3
  291582.8078  0.5406 -6.7738 3 1830.9242C88  595161404805624 0    805525 0      C-13-H3C(O)CH3
  291583.3863  0.5405 -6.7738 3 1830.9242C88  595161404805625 0    805526 0      C-13-H3C(O)CH3
  291597.8581  0.3548 -6.5532 3 1707.4829C40  595161404775522 1    775423 1      C-13-H3C(O)CH3
  291616.0480  0.0426 -5.5699 3  878.4823840  5951614045249 3 0    5248 4 0      C-13-H3C(O)CH3
  291616.0480  0.0426 -5.5699 3  878.4823840  5951614045249 4 0    5248 5 0      C-13-H3C(O)CH3
  291623.0202  0.0480 -5.5725 3 1044.5790936  5951614045850 9 2    584910 2      C-13-H3C(O)CH3
  291623.8384  0.0055 -4.4143 3  398.1448696 -59516140443 934 0    43 835 0      C-13-H3C(O)CH3
  291623.8384  0.0055 -4.3860 3  398.1448696 -595161404431034 0    43 935 0      C-13-H3C(O)CH3
  291623.8762  0.0055 -5.5810 3  398.1448696  59516140443 934 0    43 935 0      C-13-H3C(O)CH3
  291627.5311  0.0582 -5.8736 3 1044.6050468  5951614045850 9 3    584910 3      C-13-H3C(O)CH3
  291637.6102  0.0439 -5.5725 3 1044.5769936  5951614045850 8 0    584910 0      C-13-H3C(O)CH3
  291637.6102  0.0439 -5.5725 3 1044.5769936  5951614045850 9 0    5849 9 0      C-13-H3C(O)CH3
  291642.7481  0.0498 -5.5725 3 1044.6031936  5951614045850 8 1    5849 9 1      C-13-H3C(O)CH3
  291652.3225  0.0535 -5.5697 3  878.4888840  5951614045249 4 2    5248 5 2      C-13-H3C(O)CH3
  291670.1361  0.3071 -6.5529 3 1707.4326C40  595161404775523 2    775424 2      C-13-H3C(O)CH3
  291676.0022  0.0600 -5.8736 3 1044.5933468  5951614045850 9 4    584910 4      C-13-H3C(O)CH3
  291690.5344  0.0451 -5.5725 3 1044.5914936  5951614045850 9 1    584910 1      C-13-H3C(O)CH3
  291693.7382  0.0071 -6.0845 3   29.5726184  59516140411 9 2 1    10 6 5 1      C-13-H3C(O)CH3
  291712.3732  0.0072 -6.0773 3   29.5718184  59516140411 9 2 2    10 6 5 2      C-13-H3C(O)CH3
  291735.9959  0.3228 -6.5529 3 1707.4696C40  595161404775522 2    775423 2      C-13-H3C(O)CH3
  291760.2155  0.0028 -3.8274 3  142.1539236  59516140429 228 3    28 227 3      C-13-H3C(O)CH3
  291760.2155  0.0028 -3.8274 3  142.1539236  59516140429 128 3    28 127 3      C-13-H3C(O)CH3
  291760.2366  0.0028 -3.8028 3  142.1540236  59516140429 228 4    28 227 4      C-13-H3C(O)CH3
  291760.2366  0.0028 -3.8028 3  142.1540236  59516140429 128 4    28 127 4      C-13-H3C(O)CH3
  291760.2700  0.0028 -4.4257 3  142.1539236 -59516140429 128 3    28 227 3      C-13-H3C(O)CH3
  291760.2700  0.0028 -4.5400 3  142.1540236 -59516140429 228 4    28 127 4      C-13-H3C(O)CH3
  291760.2700  0.0028 -4.5400 3  142.1540236 -59516140429 128 4    28 227 4      C-13-H3C(O)CH3
  291760.2700  0.0028 -4.4257 3  142.1539236 -59516140429 228 3    28 127 3      C-13-H3C(O)CH3
  291777.9021  0.0461 -5.5698 3  878.5284840  5951614045249 3 1    5248 4 1      C-13-H3C(O)CH3
  291780.5328  0.0030 -4.3750 3  142.0987472  59516140429 128 1    28 127 1      C-13-H3C(O)CH3
  291780.5328  0.0030 -3.4698 3  142.0987472  59516140429 228 1    28 127 1      C-13-H3C(O)CH3
  291780.6258  0.0029 -4.0118 3  142.0983472 -59516140429 228 2    28 127 2      C-13-H3C(O)CH3
  291780.6258  0.0029 -3.5599 3  142.0983472 -59516140429 128 2    28 127 2      C-13-H3C(O)CH3
  291780.6258  0.0030 -3.4807 3  142.0987472 -59516140429 128 1    28 227 1      C-13-H3C(O)CH3
  291780.6258  0.0030 -4.4708 3  142.0987472 -59516140429 228 1    28 227 1      C-13-H3C(O)CH3
  291780.6444  0.0029 -4.0118 3  142.0983472  59516140429 128 2    28 227 2      C-13-H3C(O)CH3
  291780.6444  0.0029 -3.5599 3  142.0983472  59516140429 228 2    28 227 2      C-13-H3C(O)CH3
  291796.5507  0.0414 -6.9221 3  511.9682696  595161404432617 1    422914 1      C-13-H3C(O)CH3
  291800.9043  0.0026 -3.4321 3  142.0432472  59516140429 228 0    28 227 0      C-13-H3C(O)CH3
  291800.9043  0.0026 -5.5037 3  142.0432472  59516140429 128 0    28 227 0      C-13-H3C(O)CH3
  291800.9434  0.0026 -3.4496 3  142.0432472 -59516140429 128 0    28 127 0      C-13-H3C(O)CH3
  291800.9434  0.0026 -4.7502 3  142.0432472 -59516140429 228 0    28 127 0      C-13-H3C(O)CH3
  291814.7651  0.0664 -5.8706 3  878.5349420  5951614045249 4 3    5248 4 3      C-13-H3C(O)CH3
  291819.1458  0.0502 -5.5695 3  878.5090840  5951614045249 4 1    5248 5 1      C-13-H3C(O)CH3
  291833.1750  0.3793 -6.5526 3 1707.4517C40  595161404775522 0    775423 0      C-13-H3C(O)CH3
  291833.2601  0.3793 -6.5526 3 1707.4517C40  595161404775523 0    775424 0      C-13-H3C(O)CH3
  291835.8685  0.0412 -6.9644 3  655.5272792  595161404492822 0    483117 0      C-13-H3C(O)CH3
  291847.4877  0.0489 -5.5695 3  878.5083840  5951614045249 3 2    5248 4 2      C-13-H3C(O)CH3
  291848.9992  0.0412 -6.6976 3  511.9882696  595161404432617 0    422914 0      C-13-H3C(O)CH3
  291855.2907  0.0755 -5.8704 3  878.5154420  5951614045249 4 4    5248 5 4      C-13-H3C(O)CH3
  291855.4658  0.0117 -4.5755 3   68.9892264  5951614041612 5 1    1511 4 1      C-13-H3C(O)CH3
  291857.9568  0.0069 -4.7056 3  372.1627340  59516140442 834 4    42 735 4      C-13-H3C(O)CH3
  291857.9568  0.0069 -5.9255 3  372.1627340  59516140442 834 4    42 835 4      C-13-H3C(O)CH3
  291857.9568  0.0069 -4.7056 3  372.1627340  59516140442 934 4    42 835 4      C-13-H3C(O)CH3
  291857.9568  0.0069 -5.9255 3  372.1627340  59516140442 934 4    42 735 4      C-13-H3C(O)CH3
  291858.2719  0.0065 -4.9646 3  372.1627340  59516140442 834 3    42 835 3      C-13-H3C(O)CH3
  291858.2719  0.0065 -4.9986 3  372.1627340  59516140442 834 3    42 735 3      C-13-H3C(O)CH3
  291858.2719  0.0065 -4.9646 3  372.1627340  59516140442 934 3    42 735 3      C-13-H3C(O)CH3
  291858.2719  0.0065 -4.9986 3  372.1627340  59516140442 934 3    42 835 3      C-13-H3C(O)CH3
  291893.8892  0.0101 -6.9761 3   26.1776 84  5951614041010 1 4     9 7 3 4      C-13-H3C(O)CH3
  291957.7603  0.0364 -5.3594 3 1096.5622A48  595161404652936 0    652837 0      C-13-H3C(O)CH3
  291957.7604  0.0364 -5.3594 3 1096.5622A48  595161404653036 0    652937 0      C-13-H3C(O)CH3
  291962.3366  0.0377 -5.3594 3 1096.5778A48  595161404652936 1    652837 1      C-13-H3C(O)CH3
  291962.3368  0.0377 -5.3594 3 1096.5778A48  595161404653036 1    652937 1      C-13-H3C(O)CH3
  291967.0349  0.0428 -5.3594 3 1096.5792A48  595161404652936 2    652837 2      C-13-H3C(O)CH3
  291967.0350  0.0428 -5.3594 3 1096.5792A48  595161404653036 2    652937 2      C-13-H3C(O)CH3
  291970.0292  0.0201 -6.6891 3  156.6238188  5951614042319 4 4    2316 7 4      C-13-H3C(O)CH3
  291971.6577  0.0436 -5.6604 3 1096.5948524  595161404652936 3    652837 3      C-13-H3C(O)CH3
  291971.6579  0.0436 -5.6604 3 1096.5948524  595161404653036 3    652937 3      C-13-H3C(O)CH3
  291971.7182  0.0437 -5.6604 3 1096.5948524  595161404652936 4    652837 4      C-13-H3C(O)CH3
  291971.7184  0.0437 -5.6604 3 1096.5948524  595161404653036 4    652937 4      C-13-H3C(O)CH3
  291979.6423  0.0061 -4.3787 3  372.1798680  59516140442 934 2    42 735 2      C-13-H3C(O)CH3
  291979.6423  0.0061 -4.3787 3  372.1798680  59516140442 834 2    42 835 2      C-13-H3C(O)CH3
  291981.6338  0.0063 -6.0839 3  372.1804680  59516140442 934 1    42 735 1      C-13-H3C(O)CH3
  291981.6338  0.0063 -4.3874 3  372.1804680  59516140442 834 1    42 735 1      C-13-H3C(O)CH3
  291981.8176  0.0063 -4.3874 3  372.1804680 -59516140442 934 1    42 835 1      C-13-H3C(O)CH3
  291981.8176  0.0063 -6.0839 3  372.1804680 -59516140442 834 1    42 835 1      C-13-H3C(O)CH3
  292011.1546  0.0632 -5.8705 3  878.5543420  5951614045249 3 4    5248 4 4      C-13-H3C(O)CH3
  292051.5946  0.0677 -5.8702 3  878.5348420  5951614045249 3 3    5248 5 3      C-13-H3C(O)CH3
  292059.8331  0.0167 -6.6802 3  156.5150188  5951614042319 5 4    2316 8 4      C-13-H3C(O)CH3
  292102.8071  0.0056 -4.7372 3  372.1975680  59516140442 934 0    42 735 0      C-13-H3C(O)CH3
  292102.8071  0.0056 -4.7372 3  372.1975680  59516140442 834 0    42 835 0      C-13-H3C(O)CH3
  292102.8129  0.0056 -4.6283 3  372.1975680 -59516140442 834 0    42 735 0      C-13-H3C(O)CH3
  292102.8129  0.0056 -4.6283 3  372.1975680 -59516140442 934 0    42 835 0      C-13-H3C(O)CH3
  292148.1824  0.0108 -4.9731 3  778.8019904  595161404562235 0    562136 0      C-13-H3C(O)CH3
  292148.1824  0.0108 -5.3890 3  778.8019904  595161404562235 0    562036 0      C-13-H3C(O)CH3
  292148.1824  0.0108 -5.3890 3  778.8019904  595161404562135 0    562136 0      C-13-H3C(O)CH3
  292148.1824  0.0108 -4.9731 3  778.8019904  595161404562135 0    562036 0      C-13-H3C(O)CH3
  292155.8138  0.0116 -4.4868 3   68.9874264  5951614041612 5 2    1511 4 2      C-13-H3C(O)CH3
  292206.0667  0.0145 -6.4271 3  156.6139376  5951614042319 4 1    2316 7 1      C-13-H3C(O)CH3
  292210.1706  0.0124 -5.1893 3  778.7951904  595161404562135 1    562136 1      C-13-H3C(O)CH3
  292210.1706  0.0124 -5.0828 3  778.7951904  595161404562135 1    562036 1      C-13-H3C(O)CH3
  292210.1706  0.0124 -5.0967 3  778.7951904  595161404562235 1    562136 1      C-13-H3C(O)CH3
  292210.1706  0.0124 -5.1722 3  778.7951904  595161404562235 1    562036 1      C-13-H3C(O)CH3
  292211.8406  0.0150 -4.8320 3  778.7949904  595161404562135 2    562136 2      C-13-H3C(O)CH3
  292211.8406  0.0150 -4.8320 3  778.7949904  595161404562235 2    562036 2      C-13-H3C(O)CH3
  292229.7801  0.0075 -6.4362 3   29.6269 92  59516140411 9 2 4    10 6 5 4      C-13-H3C(O)CH3
  292231.5466  0.0075 -4.8550 3  346.8166332  59516140441 734 4    41 635 4      C-13-H3C(O)CH3
  292231.5466  0.0075 -5.1625 3  346.8166332  59516140441 834 4    41 635 4      C-13-H3C(O)CH3
  292231.5466  0.0075 -5.1625 3  346.8166332  59516140441 734 4    41 735 4      C-13-H3C(O)CH3
  292231.5466  0.0075 -4.8550 3  346.8166332  59516140441 834 4    41 735 4      C-13-H3C(O)CH3
  292231.8628  0.0070 -4.7530 3  346.8165332  59516140441 834 3    41 735 3      C-13-H3C(O)CH3
  292231.8628  0.0070 -5.4974 3  346.8165332  59516140441 834 3    41 635 3      C-13-H3C(O)CH3
  292231.8628  0.0070 -5.4974 3  346.8165332  59516140441 734 3    41 735 3      C-13-H3C(O)CH3
  292231.8628  0.0070 -4.7530 3  346.8165332  59516140441 734 3    41 635 3      C-13-H3C(O)CH3
  292273.9217  0.0142 -5.1362 3  778.7881452  595161404562235 3    562136 3      C-13-H3C(O)CH3
  292273.9217  0.0142 -5.1332 3  778.7881452  595161404562135 3    562036 3      C-13-H3C(O)CH3
  292274.0593  0.0143 -5.1373 3  778.7881452  595161404562135 4    562136 4      C-13-H3C(O)CH3
  292274.0593  0.0143 -6.8855 3  778.7881452  595161404562235 4    562136 4      C-13-H3C(O)CH3
  292274.0593  0.0143 -5.1403 3  778.7881452  595161404562235 4    562036 4      C-13-H3C(O)CH3
  292335.4358  0.2795 -6.9721 3 1810.7891660  595161404824339 4    824240 4      C-13-H3C(O)CH3
  292335.5079  0.2795 -6.9721 3 1810.7891660  595161404824339 3    824240 3      C-13-H3C(O)CH3
  292340.9515  0.2786 -6.9721 3 1810.7891660  595161404824439 4    824340 4      C-13-H3C(O)CH3
  292341.0238  0.2786 -6.9721 3 1810.7891660  595161404824439 3    824340 3      C-13-H3C(O)CH3
  292355.9958  0.2848 -6.6710 3 1810.7875D20  595161404824339 1    824240 1      C-13-H3C(O)CH3
  292361.6907  0.2852 -6.6710 3 1810.7876D20  595161404824439 1    824340 1      C-13-H3C(O)CH3
  292363.4926  0.2838 -6.6710 3 1810.7906D20  595161404824339 2    824240 2      C-13-H3C(O)CH3
  292368.4808  0.2831 -6.6710 3 1810.7906D20  595161404824439 2    824340 2      C-13-H3C(O)CH3
  292383.9100  0.2862 -6.6709 3 1810.7891D20  595161404824339 0    824240 0      C-13-H3C(O)CH3
  292389.0630  0.2867 -6.6709 3 1810.7891D20  595161404824439 0    824340 0      C-13-H3C(O)CH3
  292395.4424  0.0060 -4.3797 3  346.8270664  59516140441 834 2    41 635 2      C-13-H3C(O)CH3
  292395.4424  0.0060 -4.3797 3  346.8270664  59516140441 734 2    41 735 2      C-13-H3C(O)CH3
  292397.3206  0.0063 -4.5380 3  346.8276664  59516140441 834 1    41 635 1      C-13-H3C(O)CH3
  292397.3206  0.0063 -4.5380 3  346.8276664  59516140441 734 1    41 735 1      C-13-H3C(O)CH3
  292397.4492  0.0063 -4.8942 3  346.8276664 -59516140441 834 1    41 735 1      C-13-H3C(O)CH3
  292397.4492  0.0063 -4.8942 3  346.8276664 -59516140441 734 1    41 635 1      C-13-H3C(O)CH3
  292479.4508  0.0108 -6.9977 3  102.5070312  5951614041915 4 0    1910 9 0      C-13-H3C(O)CH3
  292481.1642  0.0259 -6.5866 3  226.2340228  5951614042821 8 4    281810 4      C-13-H3C(O)CH3
  292483.5949  0.0472 -6.9761 3  660.4593792  595161404492921 0    483216 0      C-13-H3C(O)CH3
  292508.0248  0.0366 -7.0166 3  840.0423920  595161404572532 1    562829 1      C-13-H3C(O)CH3
  292508.4829  0.0366 -7.0166 3  840.0423920  595161404572632 1    562729 1      C-13-H3C(O)CH3
  292510.1728  0.0407 -7.0159 3  840.0425920  595161404572532 2    562829 2      C-13-H3C(O)CH3
  292510.6219  0.0407 -7.0159 3  840.0425920  595161404572632 2    562729 2      C-13-H3C(O)CH3
  292519.3929  0.1674 -6.5464 3 1585.1603620  595161404773938 4    773839 4      C-13-H3C(O)CH3
  292519.4570  0.1674 -6.5464 3 1585.1603620  595161404773938 3    773839 3      C-13-H3C(O)CH3
  292519.8801  0.1673 -6.5464 3 1585.1604620  595161404774038 4    773939 4      C-13-H3C(O)CH3
  292519.9448  0.1673 -6.5464 3 1585.1603620  595161404774038 3    773939 3      C-13-H3C(O)CH3
  292545.6633  0.0128 -6.2296 3  510.8463712  595161404442123 1    432420 1      C-13-H3C(O)CH3
  292549.0872  0.0046 -6.5416 3   41.6994216  59516140413 9 4 1    12 6 6 1      C-13-H3C(O)CH3
  292549.8204  0.1752 -6.2453 3 1585.1492C40  595161404773938 1    773839 1      C-13-H3C(O)CH3
  292550.3137  0.1753 -6.2453 3 1585.1492C40  595161404774038 1    773939 1      C-13-H3C(O)CH3
  292553.6554  0.0042 -6.3707 3   41.7493108  59516140413 9 4 4    12 6 6 4      C-13-H3C(O)CH3
  292554.9312  0.1715 -6.2453 3 1585.1526C40  595161404773938 2    773839 2      C-13-H3C(O)CH3
  292555.3532  0.1715 -6.2453 3 1585.1526C40  595161404774038 2    773939 2      C-13-H3C(O)CH3
  292560.6188  0.0057 -5.7476 3  346.8380664  59516140441 734 0    41 735 0      C-13-H3C(O)CH3
  292560.6188  0.0057 -5.7476 3  346.8380664  59516140441 834 0    41 635 0      C-13-H3C(O)CH3
  292560.6921  0.0057 -4.3978 3  346.8380664 -59516140441 734 0    41 635 0      C-13-H3C(O)CH3
  292560.6921  0.0057 -4.3978 3  346.8380664 -59516140441 834 0    41 735 0      C-13-H3C(O)CH3
  292563.1861  0.0143 -6.3523 3  156.6108376  5951614042319 4 0    2316 7 0      C-13-H3C(O)CH3
  292564.2563  0.0146 -6.5292 3  510.8224356  595161404442123 3    432420 3      C-13-H3C(O)CH3
  292564.7741  0.0146 -6.5292 3  510.8223356  595161404442123 4    432420 4      C-13-H3C(O)CH3
  292568.8976  0.0056 -6.6547 3   41.6963216  59516140413 9 4 2    12 6 6 2      C-13-H3C(O)CH3
  292575.4677  0.0086 -4.8015 3  322.0625324  59516140440 634 4    40 635 4      C-13-H3C(O)CH3
  292575.4677  0.0086 -5.3441 3  322.0625324  59516140440 634 4    40 535 4      C-13-H3C(O)CH3
  292575.4677  0.0086 -5.3441 3  322.0625324  59516140440 734 4    40 635 4      C-13-H3C(O)CH3
  292575.4677  0.0086 -4.8015 3  322.0625324  59516140440 734 4    40 535 4      C-13-H3C(O)CH3
  292575.7540  0.0079 -5.3104 3  322.0625324  59516140440 734 3    40 535 3      C-13-H3C(O)CH3
  292575.7540  0.0079 -5.3104 3  322.0625324  59516140440 634 3    40 635 3      C-13-H3C(O)CH3
  292575.7540  0.0079 -4.8117 3  322.0625324  59516140440 634 3    40 535 3      C-13-H3C(O)CH3
  292575.7540  0.0079 -4.8117 3  322.0625324  59516140440 734 3    40 635 3      C-13-H3C(O)CH3
  292580.8537  0.0108 -6.2289 3  510.8658712  595161404442123 0    432420 0      C-13-H3C(O)CH3
  292582.7707  0.0478 -5.6390 3  854.1353824  5951614045149 2 0    5148 3 0      C-13-H3C(O)CH3
  292582.7707  0.0478 -5.6390 3  854.1353824  5951614045149 3 0    5148 4 0      C-13-H3C(O)CH3
  292585.2431  0.1765 -6.2451 3 1585.1415C40  595161404773938 0    773839 0      C-13-H3C(O)CH3
  292585.6702  0.1766 -6.2451 3 1585.1415C40  595161404774038 0    773939 0      C-13-H3C(O)CH3
  292599.6185  0.0139 -6.4589 3  156.6118376  5951614042319 4 2    2316 7 2      C-13-H3C(O)CH3
  292600.1368  0.0141 -6.2275 3  510.8420712  595161404442123 2    432420 2      C-13-H3C(O)CH3
  292673.6858  0.0616 -5.6387 3  854.1392824  5951614045149 3 2    5148 4 2      C-13-H3C(O)CH3
  292695.5743  0.1469 -6.4009 3 1440.4502564  595161404705317 3    705218 3      C-13-H3C(O)CH3
  292698.0812  0.0510 -6.8982 3  419.0635632  595161404392316 2    382612 2      C-13-H3C(O)CH3
  292711.0309  0.0017 -4.1991 3  112.1538172 -595161404211011 3    201110 3      C-13-H3C(O)CH3
  292715.8739  0.0018 -4.1991 3  112.1538172 -595161404211011 4    201110 4      C-13-H3C(O)CH3
  292724.8788  0.1292 -6.4007 3 1440.3984564  595161404705318 4    705219 4      C-13-H3C(O)CH3
  292744.2312  0.1740 -6.4009 3 1440.4992564  595161404705317 4    705218 4      C-13-H3C(O)CH3
  292755.6133  0.0528 -5.6388 3  854.1882824  5951614045149 2 1    5148 3 1      C-13-H3C(O)CH3
  292770.9766  0.0896 -6.0066 3 1168.5385500  595161404625111 4    625012 4      C-13-H3C(O)CH3
  292773.7725  0.1544 -6.4007 3 1440.4473564  595161404705318 3    705219 3      C-13-H3C(O)CH3
  292786.6607  0.0064 -4.4612 3  322.0646648 -59516140440 734 2    40 635 2      C-13-H3C(O)CH3
  292786.6607  0.0064 -4.4612 3  322.0646648 -59516140440 634 2    40 535 2      C-13-H3C(O)CH3
  292786.6799  0.0064 -5.2117 3  322.0646648  59516140440 634 2    40 635 2      C-13-H3C(O)CH3
  292786.6799  0.0064 -5.2117 3  322.0646648  59516140440 734 2    40 535 2      C-13-H3C(O)CH3
  292788.3914  0.0069 -5.1829 3  322.0651648  59516140440 634 1    40 635 1      C-13-H3C(O)CH3
  292788.3914  0.0069 -5.1829 3  322.0651648  59516140440 734 1    40 535 1      C-13-H3C(O)CH3
  292788.5095  0.0069 -4.4666 3  322.0651648 -59516140440 634 1    40 535 1      C-13-H3C(O)CH3
  292788.5095  0.0069 -4.4666 3  322.0651648 -59516140440 734 1    40 635 1      C-13-H3C(O)CH3
  292801.5911  0.0018 -3.8988 3  112.1363344 -595161404211011 2    201110 2      C-13-H3C(O)CH3
  292807.0739  0.0086 -4.4528 3  129.4290360 -5951614042213 9 0    2114 8 0      C-13-H3C(O)CH3
  292809.7345  0.0018 -3.8982 3  112.1396344 -595161404211011 1    201110 1      C-13-H3C(O)CH3
  292826.5050  0.0571 -5.6385 3  854.1639824  5951614045149 3 1    5148 4 1      C-13-H3C(O)CH3
  292835.3536  0.0735 -6.0065 3 1168.4981500  595161404625112 3    625013 3      C-13-H3C(O)CH3
  292839.2181  0.0780 -6.0065 3 1168.5087500  595161404625111 3    625012 3      C-13-H3C(O)CH3
  292843.8367  0.0181 -6.8560 3  156.5399188  5951614042319 5 3    2316 8 3      C-13-H3C(O)CH3
  292846.7871  0.0126 -5.2864 3  262.8195488  5951614043023 8 0    2924 5 0      C-13-H3C(O)CH3
  292847.4676  0.0764 -5.9396 3  854.1920412  5951614045149 3 3    5148 4 3      C-13-H3C(O)CH3
  292850.2154  0.0126 -5.2864 3  262.8195488  5951614043023 7 0    2924 6 0      C-13-H3C(O)CH3
  292862.5121  0.0036 -3.7080 3  143.7848244  59516140430 030 4    29 129 4      C-13-H3C(O)CH3
  292862.5121  0.0036 -5.2496 3  143.7848244  59516140430 130 4    29 129 4      C-13-H3C(O)CH3
  292862.5143  0.0036 -3.7687 3  143.7848244  59516140430 030 3    29 129 3      C-13-H3C(O)CH3
  292862.5143  0.0036 -4.5065 3  143.7848244  59516140430 130 3    29 129 3      C-13-H3C(O)CH3
  292862.5832  0.0036 -4.5065 3  143.7848244 -59516140430 030 3    29 029 3      C-13-H3C(O)CH3
  292862.5832  0.0036 -3.7687 3  143.7848244 -59516140430 130 3    29 029 3      C-13-H3C(O)CH3
  292862.5832  0.0036 -5.3450 3  143.7848244 -59516140430 030 4    29 029 4      C-13-H3C(O)CH3
  292862.5832  0.0036 -3.7056 3  143.7848244 -59516140430 130 4    29 029 4      C-13-H3C(O)CH3
  292868.0539  0.0041 -3.3964 3  143.7157488  59516140430 030 1    29 129 1      C-13-H3C(O)CH3
  292868.0539  0.0041 -3.3964 3  143.7157488  59516140430 130 1    29 029 1      C-13-H3C(O)CH3
  292868.1804  0.0040 -3.3948 3  143.7152488  59516140430 130 2    29 029 2      C-13-H3C(O)CH3
  292868.1804  0.0040 -6.6464 3  143.7152488  59516140430 030 2    29 029 2      C-13-H3C(O)CH3
  292868.2063  0.0040 -6.6464 3  143.7152488 -59516140430 130 2    29 129 2      C-13-H3C(O)CH3
  292868.2063  0.0041 -5.7681 3  143.7157488 -59516140430 030 1    29 029 1      C-13-H3C(O)CH3
  292868.2063  0.0040 -3.3948 3  143.7152488 -59516140430 030 2    29 129 2      C-13-H3C(O)CH3
  292868.2063  0.0041 -5.7681 3  143.7157488 -59516140430 130 1    29 129 1      C-13-H3C(O)CH3
  292869.0613  0.0580 -5.6386 3  854.1684824  5951614045149 2 2    5148 3 2      C-13-H3C(O)CH3
  292870.7513  0.0710 -5.7054 3 1168.5102A00  595161404625111 2    625012 2      C-13-H3C(O)CH3
  292873.7008  0.0036 -3.9491 3  143.6462488  59516140430 130 0    29 129 0      C-13-H3C(O)CH3
  292873.7008  0.0036 -3.9491 3  143.6462488  59516140430 030 0    29 029 0      C-13-H3C(O)CH3
  292873.8146  0.0036 -3.5363 3  143.6462488 -59516140430 030 0    29 129 0      C-13-H3C(O)CH3
  292873.8146  0.0036 -3.5363 3  143.6462488 -59516140430 130 0    29 029 0      C-13-H3C(O)CH3
  292883.2352  0.0500 -5.5614 3 1017.2796920  5951614045750 7 2    5749 8 2      C-13-H3C(O)CH3
  292891.0189  0.0100 -4.7284 3  297.9016316  59516140439 634 4    39 435 4      C-13-H3C(O)CH3
  292891.0189  0.0100 -6.2801 3  297.9016316  59516140439 634 4    39 535 4      C-13-H3C(O)CH3
  292891.0189  0.0100 -4.7284 3  297.9016316  59516140439 534 4    39 535 4      C-13-H3C(O)CH3
  292891.0189  0.0100 -6.2801 3  297.9016316  59516140439 534 4    39 435 4      C-13-H3C(O)CH3
  292891.2339  0.0093 -4.9997 3  297.9015316  59516140439 534 3    39 535 3      C-13-H3C(O)CH3
  292891.2339  0.0093 -4.8725 3  297.9015316  59516140439 634 3    39 435 3      C-13-H3C(O)CH3
  292891.2339  0.0093 -5.2362 3  297.9015316  59516140439 534 3    39 435 3      C-13-H3C(O)CH3
  292891.2339  0.0093 -5.0357 3  297.9015316  59516140439 634 3    39 535 3      C-13-H3C(O)CH3
  292897.7780  0.0017 -3.8989 3  112.1221344 -595161404211011 0    201110 0      C-13-H3C(O)CH3
  292899.5925  0.0134 -6.4217 3  156.5361376  5951614042319 5 1    2316 8 1      C-13-H3C(O)CH3
  292903.4617  0.0764 -6.0064 3 1168.4683500  595161404625112 4    625013 4      C-13-H3C(O)CH3
  292910.2224  0.1455 -6.0994 3 1440.4639B28  595161404705317 1    705218 1      C-13-H3C(O)CH3
  292915.0914  0.0033 -3.9091 3   66.4489124  5951614041514 1 3    1413 1 3      C-13-H3C(O)CH3
  292917.8125  0.0868 -5.9393 3  854.1677412  5951614045149 3 4    5148 4 4      C-13-H3C(O)CH3
  292926.2247  0.0641 -5.8623 3 1017.3053460  5951614045750 7 4    5749 8 4      C-13-H3C(O)CH3
  292927.3161  0.1268 -6.0993 3 1440.4175B28  595161404705318 2    705219 2      C-13-H3C(O)CH3
  292927.5436  0.0029 -3.9091 3   66.5285124  5951614041514 1 4    1413 1 4      C-13-H3C(O)CH3
  292935.0268  0.0588 -5.7052 3 1168.4698A00  595161404625112 2    625013 2      C-13-H3C(O)CH3
  292936.6308  0.0036 -3.9090 3   66.3653124  5951614041514 2 4    1413 2 4      C-13-H3C(O)CH3
  292939.7207  0.1277 -6.0993 3 1440.4121B28  595161404705318 1    705219 1      C-13-H3C(O)CH3
  292939.8609  0.0087 -4.4543 3  129.4317360 -5951614042213 9 2    2114 8 2      C-13-H3C(O)CH3
  292941.3031  0.0101 -6.6633 3   26.1598168  5951614041010 1 0     9 7 2 0      C-13-H3C(O)CH3
  292942.0003  0.0059 -4.1597 3   68.9980132 -5951614041612 5 3    1511 4 3      C-13-H3C(O)CH3
  292948.7364  0.0035 -3.9089 3   66.4447124  5951614041514 2 3    1413 2 3      C-13-H3C(O)CH3
  292957.6585  0.0662 -5.7052 3 1168.5045A00  595161404625111 1    625012 1      C-13-H3C(O)CH3
  292957.9938  0.0106 -6.9932 3   26.2991 84  5951614041010 0 4     9 7 2 4      C-13-H3C(O)CH3
  292961.7540  0.0546 -5.8624 3 1017.2990460  5951614045750 7 3    5749 8 3      C-13-H3C(O)CH3
  292964.3224  0.0105 -6.7204 3   26.1458168  5951614041010 1 1     9 7 3 1      C-13-H3C(O)CH3
  292975.9265  0.1524 -6.0993 3 1440.4665B28  595161404705317 2    705218 2      C-13-H3C(O)CH3
  292997.3187  0.0447 -5.5612 3 1017.2579920  5951614045750 8 0    5749 9 0      C-13-H3C(O)CH3
  292997.3187  0.0447 -5.5612 3 1017.2579920  5951614045750 7 0    5749 8 0      C-13-H3C(O)CH3
  292998.9329  0.0061 -4.8666 3  322.0673648  59516140440 634 0    40 635 0      C-13-H3C(O)CH3
  292998.9329  0.0061 -4.8666 3  322.0673648  59516140440 734 0    40 535 0      C-13-H3C(O)CH3
  292999.1023  0.0061 -4.5655 3  322.0673648 -59516140440 734 0    40 635 0      C-13-H3C(O)CH3
  292999.1023  0.0061 -4.5655 3  322.0673648 -59516140440 634 0    40 535 0      C-13-H3C(O)CH3
  293018.9425  0.0116 -5.2850 3  262.7950488  5951614043023 7 2    2924 5 2      C-13-H3C(O)CH3
  293025.1624  0.0099 -4.7800 3  745.2684888  595161404552135 0    552036 0      C-13-H3C(O)CH3
  293025.1624  0.0099 -4.8067 3  745.2684888  595161404552035 0    551936 0      C-13-H3C(O)CH3
  293025.1624  0.0099 -5.9981 3  745.2684888  595161404552035 0    552036 0      C-13-H3C(O)CH3
  293025.4761  0.0599 -5.7051 3 1168.4747A00  595161404625112 1    625013 1      C-13-H3C(O)CH3
  293028.8882  0.0100 -6.7290 3   26.2246168  5951614041010 0 1     9 7 2 1      C-13-H3C(O)CH3
  293030.1551  0.0470 -5.5612 3 1017.2626920  5951614045750 8 2    5749 9 2      C-13-H3C(O)CH3
  293041.2903  0.0487 -5.5611 3 1017.2837920  5951614045750 7 1    5749 8 1      C-13-H3C(O)CH3
  293044.1415  0.0724 -5.9395 3  854.2213412  5951614045149 2 4    5148 3 4      C-13-H3C(O)CH3
  293056.6229  0.0509 -5.7050 3 1168.4762A00  595161404625111 0    625012 0      C-13-H3C(O)CH3
  293056.6229  0.0509 -5.7050 3 1168.4762A00  595161404625112 0    625013 0      C-13-H3C(O)CH3
  293056.7298  0.0166 -6.2776 3  226.2492456  5951614042821 8 1    281810 1      C-13-H3C(O)CH3
  293073.6934  0.0573 -5.8621 3 1017.2884460  5951614045750 8 3    5749 9 3      C-13-H3C(O)CH3
  293076.0624  0.0441 -5.5612 3 1017.2774920  5951614045750 8 1    5749 9 1      C-13-H3C(O)CH3
  293090.6122  0.0114 -6.1251 3  745.2580888  595161404552035 1    552036 1      C-13-H3C(O)CH3
  293090.6122  0.0114 -4.7994 3  745.2580888  595161404552035 1    551936 1      C-13-H3C(O)CH3
  293090.6122  0.0114 -4.7797 3  745.2580888  595161404552135 1    552036 1      C-13-H3C(O)CH3
  293091.8258  0.0133 -4.7793 3  745.2577888  595161404552035 2    552036 2      C-13-H3C(O)CH3
  293091.8258  0.0133 -4.7793 3  745.2577888  595161404552135 2    551936 2      C-13-H3C(O)CH3
  293109.2447  0.0582 -5.8622 3 1017.2820460  5951614045750 8 4    5749 9 4      C-13-H3C(O)CH3
  293114.4344  0.0787 -5.9391 3  854.1969412  5951614045149 2 3    5148 3 3      C-13-H3C(O)CH3
  293114.8047  0.0138 -6.4533 3  156.5434376  5951614042319 5 2    2316 8 2      C-13-H3C(O)CH3
  293117.7652  0.0074 -6.2984 3  153.1543196  595161404241411 4    241114 4      C-13-H3C(O)CH3
  293118.8339  0.0122 -5.2861 3  262.7612488  5951614043023 8 1    2924 6 1      C-13-H3C(O)CH3
  293123.7012  0.0058 -6.2984 3  153.1542196  595161404241411 3    241114 3      C-13-H3C(O)CH3
  293141.7769  0.0104 -6.7316 3   26.1492168  5951614041010 1 2     9 7 3 2      C-13-H3C(O)CH3
  293141.7828  0.1405 -6.0989 3 1440.4313B28  595161404705317 0    705218 0      C-13-H3C(O)CH3
  293141.7830  0.1405 -6.0989 3 1440.4313B28  595161404705318 0    705219 0      C-13-H3C(O)CH3
  293153.2835  0.0028 -3.6072 3   66.4773248 -5951614041514 1 1    1413 1 1      C-13-H3C(O)CH3
  293154.7507  0.0078 -6.6069 3  297.8935632  59516140439 634 2    39 435 2      C-13-H3C(O)CH3
  293154.7507  0.0078 -6.6069 3  297.8935632  59516140439 534 2    39 535 2      C-13-H3C(O)CH3
  293154.7747  0.0078 -4.4170 3  297.8935632 -59516140439 534 2    39 435 2      C-13-H3C(O)CH3
  293154.7747  0.0078 -4.4170 3  297.8935632 -59516140439 634 2    39 535 2      C-13-H3C(O)CH3
  293156.2474  0.0085 -4.4231 3  297.8940632  59516140439 534 1    39 535 1      C-13-H3C(O)CH3
  293156.2474  0.0085 -4.4231 3  297.8940632  59516140439 634 1    39 435 1      C-13-H3C(O)CH3
  293156.3192  0.0085 -6.1172 3  297.8940632 -59516140439 634 1    39 535 1      C-13-H3C(O)CH3
  293156.3192  0.0085 -6.1172 3  297.8940632 -59516140439 534 1    39 435 1      C-13-H3C(O)CH3
  293157.3708  0.0127 -5.3937 3  745.2472444  595161404552035 3    552036 3      C-13-H3C(O)CH3
  293157.3708  0.0127 -5.6981 3  745.2472444  595161404552135 3    551936 3      C-13-H3C(O)CH3
  293157.3708  0.0127 -5.3689 3  745.2472444  595161404552035 3    551936 3      C-13-H3C(O)CH3
  293157.3708  0.0127 -5.1998 3  745.2472444  595161404552135 3    552036 3      C-13-H3C(O)CH3
  293157.5022  0.0128 -5.0809 3  745.2472444  595161404552135 4    551936 4      C-13-H3C(O)CH3
  293157.5022  0.0128 -5.0818 3  745.2472444  595161404552035 4    552036 4      C-13-H3C(O)CH3
  293160.7428  0.0236 -6.5947 3  226.2339228  5951614042821 8 3    281810 3      C-13-H3C(O)CH3
  293168.3586  0.0869 -6.0758 3 1330.7646572  595161404713437 4    713338 4      C-13-H3C(O)CH3
  293168.3712  0.0869 -6.0758 3 1330.7646572  595161404713537 4    713438 4      C-13-H3C(O)CH3
  293168.3751  0.0869 -6.0758 3 1330.7646572  595161404713437 3    713338 3      C-13-H3C(O)CH3
  293168.3878  0.0869 -6.0758 3 1330.7646572  595161404713537 3    713438 3      C-13-H3C(O)CH3
  293174.0240  0.0032 -3.6071 3   66.3937248 -5951614041514 2 1    1413 2 1      C-13-H3C(O)CH3
  293179.4653  0.0120 -4.7683 3  274.3347308  59516140438 534 4    38 335 4      C-13-H3C(O)CH3
  293179.4653  0.0120 -6.4539 3  274.3347308  59516140438 434 4    38 335 4      C-13-H3C(O)CH3
  293179.4653  0.0120 -4.7683 3  274.3347308  59516140438 434 4    38 435 4      C-13-H3C(O)CH3
  293179.4653  0.0120 -6.4539 3  274.3347308  59516140438 534 4    38 435 4      C-13-H3C(O)CH3
  293179.5559  0.0112 -4.9016 3  274.3347308  59516140438 434 3    38 435 3      C-13-H3C(O)CH3
  293179.5559  0.0112 -5.3135 3  274.3347308  59516140438 434 3    38 335 3      C-13-H3C(O)CH3
  293179.5559  0.0112 -5.3135 3  274.3347308  59516140438 534 3    38 435 3      C-13-H3C(O)CH3
  293179.5559  0.0112 -4.9016 3  274.3347308  59516140438 534 3    38 335 3      C-13-H3C(O)CH3
  293184.8554  0.0166 -5.5638 3  156.6238196  5951614042415 9 4    2316 7 4      C-13-H3C(O)CH3
  293189.4042  0.0031 -3.6071 3   66.4052248 -5951614041514 2 2    1413 2 2      C-13-H3C(O)CH3
  293189.7554  0.0864 -5.7747 3 1330.7457B44  595161404713437 1    713338 1      C-13-H3C(O)CH3
  293189.7677  0.0864 -5.7747 3 1330.7457B44  595161404713537 1    713438 1      C-13-H3C(O)CH3
  293190.7056  0.0121 -5.2851 3  262.7786488  5951614043023 7 1    2924 5 1      C-13-H3C(O)CH3
  293194.7361  0.0874 -5.7747 3 1330.7484B44  595161404713437 2    713338 2      C-13-H3C(O)CH3
  293194.7463  0.0874 -5.7747 3 1330.7484B44  595161404713537 2    713438 2      C-13-H3C(O)CH3
  293195.2992  0.0102 -6.7398 3   26.2234168  5951614041010 0 2     9 7 2 2      C-13-H3C(O)CH3
  293202.3445  0.0030 -3.6070 3   66.4846248 -5951614041514 1 2    1413 1 2      C-13-H3C(O)CH3
  293208.1919  0.0058 -5.9946 3  153.1498392  595161404241411 2    241114 2      C-13-H3C(O)CH3
  293216.1167  0.0866 -5.7745 3 1330.7295B44  595161404713437 0    713338 0      C-13-H3C(O)CH3
  293216.1266  0.0866 -5.7745 3 1330.7295B44  595161404713537 0    713438 0      C-13-H3C(O)CH3
  293224.8278  0.0122 -5.2851 3  262.7747488  5951614043023 8 2    2924 6 2      C-13-H3C(O)CH3
  293232.1637  0.1269 -6.1856 3 1300.4807532  595161404665214 4    665115 4      C-13-H3C(O)CH3
  293233.9858  0.0983 -6.1855 3 1300.4320532  595161404665215 3    665116 3      C-13-H3C(O)CH3
  293255.8782  0.0111 -5.7003 3  156.6118392  5951614042415 9 2    2316 7 2      C-13-H3C(O)CH3
  293267.0668  0.0057 -5.9952 3  153.1524392  595161404241411 1    241114 1      C-13-H3C(O)CH3
  293286.6588  0.0129 -5.5858 3  262.7365244  5951614043023 8 3    2924 5 3      C-13-H3C(O)CH3
  293293.2718  0.0118 -5.7617 3  256.3498252  595161404311715 3    301812 3      C-13-H3C(O)CH3
  293294.7437  0.1113 -6.1854 3 1300.4369532  595161404665214 3    665115 3      C-13-H3C(O)CH3
  293296.3121  0.0954 -6.1853 3 1300.3883532  595161404665215 4    665116 4      C-13-H3C(O)CH3
  293297.5023  0.0307 -5.2898 3 1057.8634A32  595161404642936 0    642837 0      C-13-H3C(O)CH3
  293297.5023  0.0307 -5.2898 3 1057.8634A32  595161404642836 0    642737 0      C-13-H3C(O)CH3
  293298.2319  0.0133 -5.7615 3  256.3496252  595161404311715 4    301812 4      C-13-H3C(O)CH3
  293309.7840  0.0322 -5.2898 3 1057.8776A32  595161404642836 1    642737 1      C-13-H3C(O)CH3
  293309.7841  0.0322 -5.2898 3 1057.8776A32  595161404642936 1    642837 1      C-13-H3C(O)CH3
  293314.2766  0.0376 -5.2898 3 1057.8788A32  595161404642836 2    642737 2      C-13-H3C(O)CH3
  293314.2767  0.0376 -5.2898 3 1057.8788A32  595161404642936 2    642837 2      C-13-H3C(O)CH3
  293318.0238  0.0093 -4.7474 3  129.4378180  5951614042213 9 3    2114 8 3      C-13-H3C(O)CH3
  293320.4213  0.0100 -5.4614 3  256.3715504  595161404311715 1    301812 1      C-13-H3C(O)CH3
  293326.6126  0.0382 -5.5907 3 1057.8931516  595161404642936 3    642837 3      C-13-H3C(O)CH3
  293326.6126  0.0382 -5.5907 3 1057.8931516  595161404642836 3    642737 3      C-13-H3C(O)CH3
  293326.6885  0.0383 -5.5907 3 1057.8931516  595161404642836 4    642737 4      C-13-H3C(O)CH3
  293326.6886  0.0383 -5.5907 3 1057.8931516  595161404642936 4    642837 4      C-13-H3C(O)CH3
  293329.3364  0.0091 -4.4534 3  129.4305360 -5951614042213 9 1    2114 8 1      C-13-H3C(O)CH3
  293334.0509  0.0078 -6.7364 3  112.0703328  5951614042015 5 0    201010 0      C-13-H3C(O)CH3
  293354.1063  0.0057 -5.9923 3  153.1480392  595161404241411 0    241114 0      C-13-H3C(O)CH3
  293360.9816  0.0152 -5.5847 3  262.7538244  5951614043023 7 4    2924 5 4      C-13-H3C(O)CH3
  293413.7291  0.1035 -5.8841 3 1300.4500A64  595161404665214 2    665115 2      C-13-H3C(O)CH3
  293415.5628  0.0796 -5.8841 3 1300.4013A64  595161404665215 2    665116 2      C-13-H3C(O)CH3
  293419.2548  0.0073 -5.6318 3  297.8860632  59516140439 634 0    39 535 0      C-13-H3C(O)CH3
  293419.2548  0.0073 -4.4404 3  297.8860632  59516140439 534 0    39 535 0      C-13-H3C(O)CH3
  293419.2548  0.0073 -5.6318 3  297.8860632  59516140439 534 0    39 435 0      C-13-H3C(O)CH3
  293419.2548  0.0073 -4.4404 3  297.8860632  59516140439 634 0    39 435 0      C-13-H3C(O)CH3
  293424.2028  0.0934 -5.8841 3 1300.4432A64  595161404665214 1    665115 1      C-13-H3C(O)CH3
  293426.8840  0.0030 -3.6062 3   66.4335248 -5951614041514 2 0    1413 1 0      C-13-H3C(O)CH3
  293427.3870  0.0030 -3.6062 3   66.4335248 -5951614041514 1 0    1413 2 0      C-13-H3C(O)CH3
  293428.3567  0.0039 -5.0898 3   38.0759108  59516140413 6 7 3    12 5 8 3      C-13-H3C(O)CH3
  293436.8952  0.0055 -5.0898 3   38.0760108  59516140413 6 7 4    12 5 8 4      C-13-H3C(O)CH3
  293441.9442  0.0137 -5.0265 3  251.3628300  59516140437 434 3    37 335 3      C-13-H3C(O)CH3
  293441.9442  0.0137 -5.0265 3  251.3628300  59516140437 334 3    37 235 3      C-13-H3C(O)CH3
  293441.9442  0.0137 -5.2735 3  251.3628300  59516140437 434 3    37 235 3      C-13-H3C(O)CH3
  293441.9442  0.0137 -5.2735 3  251.3628300  59516140437 334 3    37 335 3      C-13-H3C(O)CH3
  293442.0444  0.0146 -5.4597 3  251.3628300  59516140437 434 4    37 235 4      C-13-H3C(O)CH3
  293442.0444  0.0146 -4.9483 3  251.3628300  59516140437 334 4    37 235 4      C-13-H3C(O)CH3
  293442.0444  0.0146 -5.4597 3  251.3628300  59516140437 334 4    37 335 4      C-13-H3C(O)CH3
  293442.0444  0.0146 -4.9483 3  251.3628300  59516140437 434 4    37 335 4      C-13-H3C(O)CH3
  293456.5365  0.0225 -6.4905 3  226.2339228  5951614042821 7 3    281810 3      C-13-H3C(O)CH3
  293464.0403  0.0115 -7.0026 3  112.0894328  5951614042015 5 1    201010 1      C-13-H3C(O)CH3
  293482.2739  0.0560 -5.7603 3  830.2844808  5951614045049 1 0    5048 2 0      C-13-H3C(O)CH3
  293482.2739  0.0560 -5.7603 3  830.2844808  5951614045049 2 0    5048 3 0      C-13-H3C(O)CH3
  293485.8715  0.0023 -3.8093 3   68.9464264 -5951614041612 5 0    1511 4 0      C-13-H3C(O)CH3
  293486.5581  0.0847 -5.8839 3 1300.3995A64  595161404665215 1    665116 1      C-13-H3C(O)CH3
  293490.1880  0.0137 -5.5858 3  262.7163244  5951614043023 8 4    2924 6 4      C-13-H3C(O)CH3
  293500.9746  0.0106 -4.4723 3  274.3146616  59516140438 534 2    38 335 2      C-13-H3C(O)CH3
  293500.9746  0.0106 -5.9204 3  274.3146616  59516140438 534 2    38 435 2      C-13-H3C(O)CH3
  293500.9746  0.0106 -5.9204 3  274.3146616  59516140438 434 2    38 335 2      C-13-H3C(O)CH3
  293500.9746  0.0106 -4.4723 3  274.3146616  59516140438 434 2    38 435 2      C-13-H3C(O)CH3
  293502.2156  0.0115 -4.4608 3  274.3150616  59516140438 534 1    38 335 1      C-13-H3C(O)CH3
  293502.2156  0.0115 -6.5446 3  274.3150616  59516140438 534 1    38 435 1      C-13-H3C(O)CH3
  293502.2156  0.0115 -4.4608 3  274.3150616  59516140438 434 1    38 435 1      C-13-H3C(O)CH3
  293502.2156  0.0115 -6.5446 3  274.3150616  59516140438 434 1    38 335 1      C-13-H3C(O)CH3
  293506.6021  0.0128 -6.2264 3  510.8143712  595161404442223 1    432320 1      C-13-H3C(O)CH3
  293515.8657  0.0016 -4.0892 3  118.8800180 -59516140422 913 4    211012 4      C-13-H3C(O)CH3
  293515.8657  0.0016 -4.0892 3  118.8800180 -59516140422 913 3    211012 3      C-13-H3C(O)CH3
  293519.7328  0.0116 -5.5147 3  156.6139392  5951614042415 9 1    2316 7 1      C-13-H3C(O)CH3
  293523.8776  0.0110 -6.2258 3  510.8345712  595161404442223 0    432320 0      C-13-H3C(O)CH3
  293537.9491  0.0498 -6.6793 3  419.0144316  595161404392316 3    382613 3      C-13-H3C(O)CH3
  293559.3295  0.0016 -4.0891 3  118.8788180 -595161404221013 3    21 912 3      C-13-H3C(O)CH3
  293559.3295  0.0016 -4.0891 3  118.8788180 -595161404221013 4    21 912 4      C-13-H3C(O)CH3
  293563.1896  0.0163 -6.5258 3  510.7891356  595161404442223 4    432320 4      C-13-H3C(O)CH3
  293564.2914  0.0123 -5.5848 3  262.7336244  5951614043023 7 3    2924 6 3      C-13-H3C(O)CH3
  293564.3425  0.0164 -6.5258 3  510.7891356  595161404442223 3    432320 3      C-13-H3C(O)CH3
  293581.3143  0.0155 -6.2242 3  510.8093712  595161404442223 2    432320 2      C-13-H3C(O)CH3
  293604.1416  0.0017 -3.7881 3  118.8668360 -59516140422 913 1    211012 1      C-13-H3C(O)CH3
  293605.3016  0.0764 -5.8837 3 1300.4125A64  595161404665214 0    665115 0      C-13-H3C(O)CH3
  293605.3016  0.0764 -5.8837 3 1300.4125A64  595161404665215 0    665116 0      C-13-H3C(O)CH3
  293606.9478  0.0031 -5.1104 3   68.9980132  5951614041612 4 3    1511 4 3      C-13-H3C(O)CH3
  293608.8385  0.0134 -4.7629 3  129.4289180  5951614042213 9 4    2114 8 4      C-13-H3C(O)CH3
  293609.2137  0.0017 -3.7884 3  118.8644360 -59516140422 913 2    211012 2      C-13-H3C(O)CH3
  293616.1728  0.0046 -4.7876 3   38.0218216  59516140413 6 7 2    12 5 8 2      C-13-H3C(O)CH3
  293622.7209  0.0115 -6.9961 3  112.0849328  5951614042015 5 2    201010 2      C-13-H3C(O)CH3
  293633.1457  0.0722 -5.7599 3  830.2863808  5951614045049 2 2    5048 3 2      C-13-H3C(O)CH3
  293647.8256  0.0017 -3.7880 3  118.8656360 -595161404221013 1    21 912 1      C-13-H3C(O)CH3
  293653.1922  0.0099 -5.4552 3  256.3552504  595161404311715 2    301812 2      C-13-H3C(O)CH3
  293654.5683  0.0017 -3.7882 3  118.8632360 -595161404221013 2    21 912 2      C-13-H3C(O)CH3
  293656.6862  0.0045 -4.7878 3   38.0227216  59516140413 6 7 1    12 5 8 1      C-13-H3C(O)CH3
  293662.0564  0.0613 -5.7602 3  830.3444808  5951614045049 1 1    5048 2 1      C-13-H3C(O)CH3
  293673.4223  0.0088 -5.4561 3  256.3770504  595161404311715 0    301812 0      C-13-H3C(O)CH3
  293679.5993  0.0169 -4.9699 3  228.9868292  59516140436 334 3    36 135 3      C-13-H3C(O)CH3
  293679.5993  0.0169 -4.9699 3  228.9868292  59516140436 234 3    36 235 3      C-13-H3C(O)CH3
  293679.5993  0.0169 -6.4601 3  228.9868292  59516140436 234 3    36 135 3      C-13-H3C(O)CH3
  293679.5993  0.0169 -6.4601 3  228.9868292  59516140436 334 3    36 235 3      C-13-H3C(O)CH3
  293679.9717  0.0178 -4.9568 3  228.9868292  59516140436 234 4    36 135 4      C-13-H3C(O)CH3
  293679.9717  0.0178 -4.9568 3  228.9868292  59516140436 334 4    36 235 4      C-13-H3C(O)CH3
  293697.3340  0.0016 -3.7883 3  118.8513360 -59516140422 913 0    211012 0      C-13-H3C(O)CH3
  293709.7984  0.0421 -6.4360 3  419.0297632  595161404392316 2    382613 2      C-13-H3C(O)CH3
  293728.7372  0.0090 -5.1588 3  183.3544212  595161404261611 4    2517 8 4      C-13-H3C(O)CH3
  293742.7283  0.0016 -3.7882 3  118.8501360 -595161404221013 0    21 912 0      C-13-H3C(O)CH3
  293765.6753  0.0663 -5.7598 3  830.3156808  5951614045049 2 1    5048 3 1      C-13-H3C(O)CH3
  293775.7311  0.0177 -6.2656 3  226.2416456  5951614042821 8 2    281810 2      C-13-H3C(O)CH3
  293814.2304  0.0877 -6.0608 3  830.3463404  5951614045049 2 3    5048 3 3      C-13-H3C(O)CH3
  293822.6771  0.0698 -5.7598 3  830.3258808  5951614045049 1 2    5048 2 2      C-13-H3C(O)CH3
  293822.9740  0.0099 -5.0537 3  274.2950616  59516140438 534 0    38 435 0      C-13-H3C(O)CH3
  293822.9740  0.0099 -4.5969 3  274.2950616  59516140438 534 0    38 335 0      C-13-H3C(O)CH3
  293822.9740  0.0099 -4.5823 3  274.2950616  59516140438 434 0    38 435 0      C-13-H3C(O)CH3
  293822.9740  0.0099 -5.0133 3  274.2950616  59516140438 434 0    38 335 0      C-13-H3C(O)CH3
  293826.6304  0.0150 -4.5304 3  251.3286600 -59516140437 434 2    37 335 2      C-13-H3C(O)CH3
  293826.6304  0.0150 -4.5304 3  251.3286600 -59516140437 334 2    37 235 2      C-13-H3C(O)CH3
  293827.5514  0.0161 -4.5805 3  251.3291600  59516140437 434 1    37 335 1      C-13-H3C(O)CH3
  293827.5514  0.0161 -5.4826 3  251.3291600  59516140437 334 1    37 335 1      C-13-H3C(O)CH3
  293827.5514  0.0161 -4.5805 3  251.3291600  59516140437 334 1    37 235 1      C-13-H3C(O)CH3
  293827.5514  0.0161 -5.4826 3  251.3291600  59516140437 434 1    37 235 1      C-13-H3C(O)CH3
  293840.0788  0.0046 -4.7866 3   37.9687216 -59516140413 6 7 0    12 5 8 0      C-13-H3C(O)CH3
  293854.4120  0.0092 -6.3715 3  712.3111872  595161404542035 0    541936 0      C-13-H3C(O)CH3
  293854.4120  0.0092 -4.7395 3  712.3111872  595161404542035 0    541836 0      C-13-H3C(O)CH3
  293854.4120  0.0092 -4.7395 3  712.3111872  595161404541935 0    541936 0      C-13-H3C(O)CH3
  293854.4120  0.0092 -6.3715 3  712.3111872  595161404541935 0    541836 0      C-13-H3C(O)CH3
  293875.6282  0.0464 -6.7757 3  419.0033316  595161404392316 4    382613 4      C-13-H3C(O)CH3
  293893.3874  0.2012 -6.5869 3 1553.2004588  595161404735419 3    735320 3      C-13-H3C(O)CH3
  293893.7028  0.0209 -5.7159 3  207.2076284  59516140435 234 3    35 135 3      C-13-H3C(O)CH3
  293893.7028  0.0209 -5.3673 3  207.2076284  59516140435 134 3    35 135 3      C-13-H3C(O)CH3
  293893.7028  0.0209 -5.3673 3  207.2076284  59516140435 234 3    35 035 3      C-13-H3C(O)CH3
  293893.7028  0.0209 -5.7159 3  207.2076284  59516140435 134 3    35 035 3      C-13-H3C(O)CH3
  293894.4450  0.0218 -5.2066 3  207.2076284  59516140435 134 4    35 135 4      C-13-H3C(O)CH3
  293894.4450  0.0218 -5.2066 3  207.2076284  59516140435 234 4    35 035 4      C-13-H3C(O)CH3
  293898.8511  0.1701 -6.5867 3 1553.1466588  595161404735420 4    735321 4      C-13-H3C(O)CH3
  293913.2599  0.0121 -6.7764 3  156.5992196  5951614042415 9 3    2316 7 3      C-13-H3C(O)CH3
  293917.6003  0.1003 -6.0604 3  830.3175404  5951614045049 2 4    5048 3 4      C-13-H3C(O)CH3
  293921.6308  0.0105 -5.7557 3  712.2970872  595161404542035 1    541936 1      C-13-H3C(O)CH3
  293921.6308  0.0105 -4.7721 3  712.2970872  595161404542035 1    541836 1      C-13-H3C(O)CH3
  293921.6308  0.0105 -4.7382 3  712.2970872  595161404541935 1    541936 1      C-13-H3C(O)CH3
  293921.6308  0.0105 -6.4172 3  712.2970872  595161404541935 1    541836 1      C-13-H3C(O)CH3
  293922.3915  0.0119 -5.4804 3  712.2966872  595161404541935 2    541936 2      C-13-H3C(O)CH3
  293922.3915  0.0119 -4.8140 3  712.2966872  595161404542035 2    541936 2      C-13-H3C(O)CH3
  293922.3915  0.0119 -5.4804 3  712.2966872  595161404542035 2    541836 2      C-13-H3C(O)CH3
  293922.3915  0.0119 -4.8140 3  712.2966872  595161404541935 2    541836 2      C-13-H3C(O)CH3
  293922.6010  0.0047 -4.8125 3  183.3547424  595161404261611 2    2517 8 2      C-13-H3C(O)CH3
  293953.8840  0.2218 -6.5869 3 1553.2462588  595161404735419 4    735320 4      C-13-H3C(O)CH3
  293959.4414  0.0024 -4.1372 3   69.0421132  5951614041612 4 4    1511 4 4      C-13-H3C(O)CH3
  293959.4668  0.1961 -6.5867 3 1553.1923588  595161404735420 3    735321 3      C-13-H3C(O)CH3
  293977.6469  0.0054 -4.8265 3  183.3567424  595161404261611 1    2517 8 1      C-13-H3C(O)CH3
  293989.7064  0.0115 -5.2044 3  712.2825436  595161404541935 3    541836 3      C-13-H3C(O)CH3
  293989.7064  0.0115 -5.5103 3  712.2825436  595161404542035 3    541836 3      C-13-H3C(O)CH3
  293989.7064  0.0115 -5.5103 3  712.2825436  595161404541935 3    541936 3      C-13-H3C(O)CH3
  293989.7064  0.0115 -5.2044 3  712.2825436  595161404542035 3    541936 3      C-13-H3C(O)CH3
  293989.8258  0.0116 -5.9552 3  712.2825436  595161404541935 4    541936 4      C-13-H3C(O)CH3
  293989.8258  0.0116 -5.0848 3  712.2825436  595161404541935 4    541836 4      C-13-H3C(O)CH3
  293989.8258  0.0116 -5.0848 3  712.2825436  595161404542035 4    541936 4      C-13-H3C(O)CH3
  293989.8258  0.0116 -5.9552 3  712.2825436  595161404542035 4    541836 4      C-13-H3C(O)CH3
  293997.2004  0.0030 -4.1401 3   68.9068132  5951614041612 5 4    1511 5 4      C-13-H3C(O)CH3
  294004.5847  0.0036 -4.8015 3  183.3623424  595161404261611 0    2517 8 0      C-13-H3C(O)CH3
  294005.1077  0.0830 -6.0607 3  830.3858404  5951614045049 1 4    5048 2 4      C-13-H3C(O)CH3
  294024.2668  0.0163 -6.2008 3  226.2492456  5951614042821 7 1    281810 1      C-13-H3C(O)CH3
  294061.0645  0.0025 -3.8915 3   68.9892264 -5951614041612 4 1    1511 4 1      C-13-H3C(O)CH3
  294085.8442  0.0028 -3.9116 3   68.9874264 -5951614041612 4 2    1511 4 2      C-13-H3C(O)CH3
  294095.2679  0.0050 -5.1072 3  183.3426212  595161404261611 3    2517 8 3      C-13-H3C(O)CH3
  294096.3622  0.2111 -6.2855 3 1553.2173B76  595161404735419 1    735320 1      C-13-H3C(O)CH3
  294102.0582  0.1794 -6.2853 3 1553.1634B76  595161404735420 1    735321 1      C-13-H3C(O)CH3
  294108.4257  0.0916 -6.0603 3  830.3569404  5951614045049 1 3    5048 2 3      C-13-H3C(O)CH3
  294125.6881  0.0241 -6.4967 3  226.2340228  5951614042821 7 4    281810 4      C-13-H3C(O)CH3
  294132.8037  0.0210 -4.6644 3  228.9365584  59516140436 234 2    36 235 2      C-13-H3C(O)CH3
  294132.8037  0.0210 -6.2451 3  228.9365584  59516140436 234 2    36 135 2      C-13-H3C(O)CH3
  294132.8037  0.0210 -6.2451 3  228.9365584  59516140436 334 2    36 235 2      C-13-H3C(O)CH3
  294132.8037  0.0210 -4.6644 3  228.9365584  59516140436 334 2    36 135 2      C-13-H3C(O)CH3
  294133.4423  0.0221 -5.0169 3  228.9369584  59516140436 234 1    36 135 1      C-13-H3C(O)CH3
  294133.4423  0.0221 -4.8998 3  228.9369584  59516140436 234 1    36 235 1      C-13-H3C(O)CH3
  294133.4423  0.0221 -4.8998 3  228.9369584  59516140436 334 1    36 135 1      C-13-H3C(O)CH3
  294133.4423  0.0221 -5.0169 3  228.9369584  59516140436 334 1    36 235 1      C-13-H3C(O)CH3
  294142.8397  0.1818 -6.2853 3 1553.1688B76  595161404735420 2    735321 2      C-13-H3C(O)CH3
  294158.8616  0.0016 -4.0138 3  124.9792188 -59516140423 815 3    22 914 3      C-13-H3C(O)CH3
  294158.8616  0.0017 -4.0138 3  124.9792188 -59516140423 815 4    22 914 4      C-13-H3C(O)CH3
  294159.3448  0.0016 -4.0138 3  124.9792188 -59516140423 915 3    22 814 3      C-13-H3C(O)CH3
  294159.3448  0.0017 -4.0138 3  124.9792188 -59516140423 915 4    22 814 4      C-13-H3C(O)CH3
  294173.2702  0.0041 -4.2847 3   67.0428132  5951614041611 5 3    1510 6 3      C-13-H3C(O)CH3
  294184.6174  0.0505 -5.5580 3  990.4629904  5951614045650 6 2    5649 7 2      C-13-H3C(O)CH3
  294203.2420  0.2076 -6.2852 3 1553.2146B76  595161404735419 2    735320 2      C-13-H3C(O)CH3
  294211.3648  0.0141 -5.4889 3  251.2950600  59516140437 434 0    37 235 0      C-13-H3C(O)CH3
  294211.3648  0.0141 -5.4889 3  251.2950600  59516140437 334 0    37 335 0      C-13-H3C(O)CH3
  294211.3832  0.0141 -4.5779 3  251.2950600 -59516140437 334 0    37 235 0      C-13-H3C(O)CH3
  294211.3832  0.0141 -4.5779 3  251.2950600 -59516140437 434 0    37 335 0      C-13-H3C(O)CH3
  294229.3986  0.0138 -6.3487 3  156.5552376  5951614042319 5 0    2316 8 0      C-13-H3C(O)CH3
  294236.8306  0.0018 -3.7127 3  124.9658376 -59516140423 815 1    22 914 1      C-13-H3C(O)CH3
  294237.3867  0.0018 -3.7127 3  124.9658376 -59516140423 915 1    22 814 1      C-13-H3C(O)CH3
  294239.9556  0.0018 -3.7129 3  124.9641376 -59516140423 815 2    22 914 2      C-13-H3C(O)CH3
  294240.5016  0.0018 -3.7129 3  124.9641376 -59516140423 915 2    22 814 2      C-13-H3C(O)CH3
  294245.5372  0.0276 -6.2989 3  419.0498632  595161404392316 0    382613 0      C-13-H3C(O)CH3
  294265.2416  0.0453 -5.5579 3  990.4449904  5951614045650 6 0    5649 7 0      C-13-H3C(O)CH3
  294265.2416  0.0453 -5.5579 3  990.4449904  5951614045650 7 0    5649 8 0      C-13-H3C(O)CH3
  294267.8924  0.0660 -5.8589 3  990.4889452  5951614045650 6 4    5649 7 4      C-13-H3C(O)CH3
  294285.8066  0.0560 -5.8590 3  990.4879452  5951614045650 6 3    5649 7 3      C-13-H3C(O)CH3
  294289.9738  0.0150 -6.3947 3  580.3187760  595161404472225 1    462522 1      C-13-H3C(O)CH3
  294291.9182  0.0289 -6.3496 3  419.0271632  595161404392316 1    382613 1      C-13-H3C(O)CH3
  294307.2523  0.0124 -6.3945 3  580.3345760  595161404472225 0    462522 0      C-13-H3C(O)CH3
  294308.8835  0.0028 -3.8925 3   68.9074264 -5951614041612 5 1    1511 5 1      C-13-H3C(O)CH3
  294311.7250  0.0184 -6.6943 3  580.3000380  595161404472225 3    462522 3      C-13-H3C(O)CH3
  294311.8440  0.0185 -6.6943 3  580.2999380  595161404472225 4    462522 4      C-13-H3C(O)CH3
  294317.7758  0.0017 -3.7128 3  124.9508376 -59516140423 815 0    22 914 0      C-13-H3C(O)CH3
  294318.3166  0.0017 -3.7128 3  124.9508376 -59516140423 915 0    22 814 0      C-13-H3C(O)CH3
  294318.9962  0.0672 -6.0076 3  806.9279792  5951614044949 1 0    4948 2 0      C-13-H3C(O)CH3
  294318.9962  0.0672 -6.0076 3  806.9279792  5951614044949 0 0    4948 1 0      C-13-H3C(O)CH3
  294329.3289  0.0174 -6.3930 3  580.3157760  595161404472225 2    462522 2      C-13-H3C(O)CH3
  294345.7912  0.2151 -6.2849 3 1553.1858B76  595161404735419 0    735320 0      C-13-H3C(O)CH3
  294345.7936  0.2151 -6.2849 3 1553.1858B76  595161404735420 0    735321 0      C-13-H3C(O)CH3
  294347.6823  0.0030 -5.1086 3   68.9511132  5951614041612 5 3    1511 5 3      C-13-H3C(O)CH3
  294347.9232  0.0464 -5.5579 3  990.4533904  5951614045650 7 2    5649 8 2      C-13-H3C(O)CH3
  294349.3915  0.0489 -5.5578 3  990.4710904  5951614045650 6 1    5649 7 1      C-13-H3C(O)CH3
  294351.6234  0.0133 -5.9374 3  226.2569456  5951614042821 7 0    281810 0      C-13-H3C(O)CH3
  294366.4667  0.0441 -5.5579 3  990.4700904  5951614045650 7 1    5649 8 1      C-13-H3C(O)CH3
  294373.1778  0.0028 -3.9127 3   68.9135264 -5951614041612 5 2    1511 5 2      C-13-H3C(O)CH3
  294376.6119  0.0173 -5.4434 3  171.1489204  5951614042516 9 4    2417 7 4      C-13-H3C(O)CH3
  294401.5519  0.0030 -3.9778 3   66.9804264  5951614041611 5 0    1510 6 0      C-13-H3C(O)CH3
  294420.6998  0.0287 -4.9033 3  207.1391568  59516140435 234 2    35 035 2      C-13-H3C(O)CH3
  294420.6998  0.0287 -4.9033 3  207.1391568  59516140435 134 2    35 135 2      C-13-H3C(O)CH3
  294421.0106  0.0298 -4.9048 3  207.1395568  59516140435 134 1    35 135 1      C-13-H3C(O)CH3
  294421.0106  0.0298 -4.9048 3  207.1395568  59516140435 234 1    35 035 1      C-13-H3C(O)CH3
  294426.5900  0.5391 -6.9313 3 1918.9800D20  595161404825726 1    825627 1      C-13-H3C(O)CH3
  294431.8327  0.0040 -4.0009 3   67.0096264  5951614041611 5 2    1510 6 2      C-13-H3C(O)CH3
  294431.9205  0.0581 -5.8587 3  990.4794452  5951614045650 7 3    5649 8 3      C-13-H3C(O)CH3
  294448.8229  0.0175 -6.2147 3  226.2416456  5951614042821 7 2    281810 2      C-13-H3C(O)CH3
  294449.8220  0.0577 -5.8588 3  990.4783452  5951614045650 7 4    5649 8 4      C-13-H3C(O)CH3
  294458.5493  0.0828 -5.9773 3 1139.2247492  595161404615110 4    615011 4      C-13-H3C(O)CH3
  294460.1816  0.0327 -6.4678 3  389.4627568  5951614043532 3 1    3433 1 1      C-13-H3C(O)CH3
  294501.6461  0.0716 -6.0075 3  806.9951792  5951614044949 0 1    4948 1 1      C-13-H3C(O)CH3
  294506.1940  0.0148 -6.3940 3  580.3115760  595161404472325 1    462422 1      C-13-H3C(O)CH3
  294516.3216  0.0124 -6.3939 3  580.3275760  595161404472325 0    462422 0      C-13-H3C(O)CH3
  294524.4080  0.5929 -6.9313 3 1919.0212D20  595161404825725 1    825626 1      C-13-H3C(O)CH3
  294525.3296  0.0721 -5.9772 3 1139.1996492  595161404615110 3    615011 3      C-13-H3C(O)CH3
  294525.5879  0.0661 -5.6761 3 1139.1977984  595161404615110 2    615011 2      C-13-H3C(O)CH3
  294525.9897  0.0040 -4.0101 3   67.0094264  5951614041611 5 1    1510 6 1      C-13-H3C(O)CH3
  294534.6491  0.0855 -6.0071 3  806.9287792  5951614044949 1 2    4948 2 2      C-13-H3C(O)CH3
  294535.1052  0.0096 -6.6633 3   26.1067168  5951614041010 0 0     9 7 3 0      C-13-H3C(O)CH3
  294539.3903  0.0192 -6.6935 3  580.2923380  595161404472325 4    462422 4      C-13-H3C(O)CH3
  294539.7778  0.0191 -6.6935 3  580.2924380  595161404472325 3    462422 3      C-13-H3C(O)CH3
  294542.6556  0.0123 -5.3897 3  171.1403408  5951614042516 9 2    2417 7 2      C-13-H3C(O)CH3
  294549.5487  0.0706 -5.9772 3 1139.1883492  595161404615111 3    615012 3      C-13-H3C(O)CH3
  294549.7697  0.0180 -6.3923 3  580.3084760  595161404472325 2    462422 2      C-13-H3C(O)CH3
  294561.4622  0.0259 -5.2220 3 1019.7294A16  595161404632736 0    632637 0      C-13-H3C(O)CH3
  294561.4622  0.0259 -5.2220 3 1019.7294A16  595161404632836 0    632737 0      C-13-H3C(O)CH3
  294581.7234  0.0277 -5.2220 3 1019.7419A16  595161404632736 1    632637 1      C-13-H3C(O)CH3
  294581.7234  0.0277 -5.2220 3 1019.7419A16  595161404632836 1    632737 1      C-13-H3C(O)CH3
  294585.5872  0.0201 -5.4378 3  228.8868584  59516140436 334 0    36 135 0      C-13-H3C(O)CH3
  294585.5872  0.0201 -5.4378 3  228.8868584  59516140436 234 0    36 235 0      C-13-H3C(O)CH3
  294585.5872  0.0201 -4.7291 3  228.8868584  59516140436 334 0    36 235 0      C-13-H3C(O)CH3
  294585.5872  0.0201 -4.7291 3  228.8868584  59516140436 234 0    36 135 0      C-13-H3C(O)CH3
  294585.9707  0.0332 -5.2220 3 1019.7429A16  595161404632736 2    632637 2      C-13-H3C(O)CH3
  294585.9707  0.0332 -5.2220 3 1019.7429A16  595161404632836 2    632737 2      C-13-H3C(O)CH3
  294598.8689  0.2274 -6.7877 3 1670.4825612  595161404765522 4    765423 4      C-13-H3C(O)CH3
  294606.2934  0.0334 -5.5228 3 1019.7553508  595161404632736 3    632637 3      C-13-H3C(O)CH3
  294606.2934  0.0334 -5.5228 3 1019.7553508  595161404632836 3    632737 3      C-13-H3C(O)CH3
  294606.3844  0.0335 -5.5228 3 1019.7554508  595161404632836 4    632737 4      C-13-H3C(O)CH3
  294606.3844  0.0335 -5.5228 3 1019.7554508  595161404632736 4    632637 4      C-13-H3C(O)CH3
  294608.0902  0.0093 -4.5788 3  142.6621376 -5951614042314 9 0    2215 8 0      C-13-H3C(O)CH3
  294612.4663  0.0066 -6.4074 3  138.7773188  595161404231211 3    23 914 3      C-13-H3C(O)CH3
  294616.2159  0.0743 -5.9771 3 1139.1632492  595161404615111 4    615012 4      C-13-H3C(O)CH3
  294616.3818  0.0576 -5.6760 3 1139.1613984  595161404615111 2    615012 2      C-13-H3C(O)CH3
  294620.6279  0.0090 -6.4074 3  138.7773188  595161404231211 4    23 914 4      C-13-H3C(O)CH3
  294623.7889  0.2701 -6.7878 3 1670.5351612  595161404765521 3    765422 3      C-13-H3C(O)CH3
  294625.4524  0.0353 -6.7694 3  389.4254284  5951614043532 3 4    3433 1 4      C-13-H3C(O)CH3
  294626.1678  0.0016 -4.1916 3  112.1042172 -595161404211111 4    201010 4      C-13-H3C(O)CH3
  294627.2993  0.0320 -6.4663 3  389.4791568  5951614043532 3 0    3433 2 0      C-13-H3C(O)CH3
  294627.2993  0.0320 -6.4663 3  389.4791568  5951614043532 4 0    3433 1 0      C-13-H3C(O)CH3
  294633.0757  0.0019 -4.1916 3  112.1040172 -595161404211111 3    201010 3      C-13-H3C(O)CH3
  294635.0790  0.0626 -5.6759 3 1139.1940984  595161404615110 1    615011 1      C-13-H3C(O)CH3
  294639.0245  0.0085 -6.0739 3  679.9312856  595161404531835 0    531736 0      C-13-H3C(O)CH3
  294639.0245  0.0085 -4.6997 3  679.9312856  595161404531835 0    531836 0      C-13-H3C(O)CH3
  294639.0245  0.0085 -6.0739 3  679.9312856  595161404531935 0    531836 0      C-13-H3C(O)CH3
  294639.0245  0.0085 -4.6997 3  679.9312856  595161404531935 0    531736 0      C-13-H3C(O)CH3
  294640.6832  0.0781 -6.0070 3  806.9623792  5951614044949 1 1    4948 2 1      C-13-H3C(O)CH3
  294645.1680  0.5266 -6.9309 3 1918.9716D20  595161404825726 2    825627 2      C-13-H3C(O)CH3
  294658.1973  0.2460 -6.7877 3 1670.5226612  595161404765522 3    765423 3      C-13-H3C(O)CH3
  294660.7876  0.5355 -6.9309 3 1918.9970D20  595161404825725 2    825626 2      C-13-H3C(O)CH3
  294660.9941  0.0063 -6.1034 3  138.7678376  595161404231211 2    23 914 2      C-13-H3C(O)CH3
  294683.1573  0.2804 -6.7878 3 1670.5752612  595161404765521 4    765422 4      C-13-H3C(O)CH3
  294686.8505  0.0198 -6.1423 3  254.6670244  595161404302110 4    301813 4      C-13-H3C(O)CH3
  294701.2104  0.0504 -5.6758 3 1139.1670984  595161404615111 0    615012 0      C-13-H3C(O)CH3
  294701.2104  0.0504 -5.6758 3 1139.1670984  595161404615110 0    615011 0      C-13-H3C(O)CH3
  294701.3243  0.0566 -5.6759 3 1139.1689984  595161404615111 1    615012 1      C-13-H3C(O)CH3
  294706.0059  0.0098 -5.9870 3  679.9136856  595161404531835 1    531836 1      C-13-H3C(O)CH3
  294706.0059  0.0098 -4.7035 3  679.9136856  595161404531835 1    531736 1      C-13-H3C(O)CH3
  294706.0059  0.0098 -5.3095 3  679.9136856  595161404531935 1    531836 1      C-13-H3C(O)CH3
  294706.0059  0.0098 -4.7981 3  679.9136856  595161404531935 1    531736 1      C-13-H3C(O)CH3
  294706.3263  0.0106 -5.0388 3  679.9131856  595161404531835 2    531736 2      C-13-H3C(O)CH3
  294706.3263  0.0106 -5.7808 3  679.9131856  595161404531935 2    531836 2      C-13-H3C(O)CH3
  294706.3263  0.0106 -4.7175 3  679.9131856  595161404531935 2    531736 2      C-13-H3C(O)CH3
  294706.3263  0.0106 -4.9327 3  679.9131856  595161404531835 2    531836 2      C-13-H3C(O)CH3
  294712.0490  0.0837 -6.0071 3  806.9785792  5951614044949 0 2    4948 1 2      C-13-H3C(O)CH3
  294718.4329  0.0048 -5.0884 3   38.0751108  59516140413 7 7 4    12 4 8 4      C-13-H3C(O)CH3
  294718.9562  0.1003 -6.3081 3  806.9958396  5951614044949 1 3    4948 2 3      C-13-H3C(O)CH3
  294723.6620  0.0036 -5.0884 3   38.0751108  59516140413 7 7 3    12 4 8 3      C-13-H3C(O)CH3
  294733.6374  0.6514 -6.9308 3 1918.9974D20  595161404825725 0    825626 0      C-13-H3C(O)CH3
  294734.5833  0.6513 -6.9308 3 1918.9974D20  595161404825726 0    825627 0      C-13-H3C(O)CH3
  294736.2398  0.1480 -6.4570 3 1539.7002612  595161404763838 4    763739 4      C-13-H3C(O)CH3
  294736.2982  0.1480 -6.4570 3 1539.7002612  595161404763838 3    763739 3      C-13-H3C(O)CH3
  294736.4269  0.1479 -6.4570 3 1539.7002612  595161404763938 4    763839 4      C-13-H3C(O)CH3
  294736.4856  0.1479 -6.4570 3 1539.7002612  595161404763938 3    763839 3      C-13-H3C(O)CH3
  294743.6978  0.0019 -3.8907 3  112.0894344 -595161404211111 1    201010 1      C-13-H3C(O)CH3
  294744.7062  0.0189 -6.5430 3  195.9437212  5951614042620 7 4    261710 4      C-13-H3C(O)CH3
  294755.4805  0.0124 -5.2737 3  171.1416408  5951614042516 9 1    2417 7 1      C-13-H3C(O)CH3
  294763.5034  0.0127 -6.0522 3  445.5023664  595161404412121 1    402218 1      C-13-H3C(O)CH3
  294766.9315  0.1552 -6.1559 3 1539.6871C24  595161404763838 1    763739 1      C-13-H3C(O)CH3
  294767.1203  0.1553 -6.1559 3 1539.6871C24  595161404763938 1    763839 1      C-13-H3C(O)CH3
  294769.0950  0.3085 -7.0031 3 1792.4151636  595161404795624 4    795525 4      C-13-H3C(O)CH3
  294771.5903  0.1517 -6.1560 3 1539.6904C24  595161404763838 2    763739 2      C-13-H3C(O)CH3
  294771.7496  0.1517 -6.1560 3 1539.6904C24  595161404763938 2    763839 2      C-13-H3C(O)CH3
  294773.4028  0.0105 -5.0871 3  679.8955428  595161404531835 3    531736 3      C-13-H3C(O)CH3
  294773.4028  0.0105 -5.6507 3  679.8955428  595161404531935 3    531736 3      C-13-H3C(O)CH3
  294773.4028  0.0105 -5.6507 3  679.8955428  595161404531835 3    531836 3      C-13-H3C(O)CH3
  294773.4028  0.0105 -5.0871 3  679.8955428  595161404531935 3    531836 3      C-13-H3C(O)CH3
  294773.5039  0.0106 -4.9824 3  679.8954428  595161404531835 4    531736 4      C-13-H3C(O)CH3
  294773.5039  0.0106 -4.9824 3  679.8954428  595161404531935 4    531836 4      C-13-H3C(O)CH3
  294774.5329  0.2570 -6.4864 3 1670.5024C24  595161404765522 1    765423 1      C-13-H3C(O)CH3
  294781.3727  0.0019 -3.8910 3  112.0849344 -595161404211111 2    201010 2      C-13-H3C(O)CH3
  294785.2657  0.0063 -6.1041 3  138.7699376  595161404231211 1    23 914 1      C-13-H3C(O)CH3
  294791.2670  0.0126 -5.8086 3  254.6874488  595161404302110 1    301813 1      C-13-H3C(O)CH3
  294792.2441  0.0320 -6.4669 3  389.4419568  5951614043532 3 2    3433 1 2      C-13-H3C(O)CH3
  294799.1900  0.3054 -6.4865 3 1670.5549C24  595161404765521 1    765422 1      C-13-H3C(O)CH3
  294799.3588  0.0109 -6.0512 3  445.5247664  595161404412121 0    402218 0      C-13-H3C(O)CH3
  294802.1812  0.1564 -6.1558 3 1539.6774C24  595161404763838 0    763739 0      C-13-H3C(O)CH3
  294802.3417  0.1565 -6.1558 3 1539.6774C24  595161404763938 0    763839 0      C-13-H3C(O)CH3
  294813.3585  0.3106 -7.0031 3 1792.4481636  595161404795624 3    795525 3      C-13-H3C(O)CH3
  294818.6817  0.0099 -4.5897 3  142.6580376 -5951614042314 9 2    2215 8 2      C-13-H3C(O)CH3
  294829.3308  0.3528 -7.0031 3 1792.4633636  595161404795623 3    795524 3      C-13-H3C(O)CH3
  294830.5242  0.0060 -6.1010 3  138.7604376  595161404231211 0    23 914 0      C-13-H3C(O)CH3
  294858.1908  0.1159 -6.3076 3  806.9630396  5951614044949 1 4    4948 2 4      C-13-H3C(O)CH3
  294863.4845  0.0157 -6.3515 3  445.4720332  595161404412121 4    402218 4      C-13-H3C(O)CH3
  294866.8126  0.0162 -6.3515 3  445.4719332  595161404412121 3    402218 3      C-13-H3C(O)CH3
  294872.1910  0.0362 -6.4662 3  389.4073568  5951614043532 4 1    3433 2 1      C-13-H3C(O)CH3
  294873.7781  0.3524 -7.0031 3 1792.4963636  595161404795623 4    795524 4      C-13-H3C(O)CH3
  294875.3245  0.2605 -6.4862 3 1670.5054C24  595161404765522 2    765423 2      C-13-H3C(O)CH3
  294887.5005  0.0152 -6.0704 3  254.6671244  595161404302110 3    301813 3      C-13-H3C(O)CH3
  294894.6737  0.0017 -3.8911 3  112.0703344 -595161404211111 0    201010 0      C-13-H3C(O)CH3
  294896.6521  0.0070 -4.3718 3   67.0349132  5951614041611 5 4    1510 6 4      C-13-H3C(O)CH3
  294897.7314  0.0944 -6.3080 3  807.0457396  5951614044949 0 4    4948 1 4      C-13-H3C(O)CH3
  294898.1176  0.0766 -5.9961 3 1288.6615564  595161404703337 4    703238 4      C-13-H3C(O)CH3
  294898.1214  0.0766 -5.9961 3 1288.6615564  595161404703337 3    703238 3      C-13-H3C(O)CH3
  294898.1220  0.0766 -5.9961 3 1288.6615564  595161404703437 4    703338 4      C-13-H3C(O)CH3
  294898.1258  0.0765 -5.9961 3 1288.6615564  595161404703437 3    703338 3      C-13-H3C(O)CH3
  294902.2156  0.0149 -6.0495 3  445.4943664  595161404412121 2    402218 2      C-13-H3C(O)CH3
  294905.0622  0.3721 -6.7018 3 1792.4379C72  595161404795624 1    795525 1      C-13-H3C(O)CH3
  294915.1120  0.0746 -5.6950 3 1288.6421B28  595161404703337 1    703238 1      C-13-H3C(O)CH3
  294915.1163  0.0746 -5.6950 3 1288.6421B28  595161404703437 1    703338 1      C-13-H3C(O)CH3
  294920.0493  0.0765 -5.6951 3 1288.6445B28  595161404703337 2    703238 2      C-13-H3C(O)CH3
  294920.0528  0.0765 -5.6951 3 1288.6445B28  595161404703437 2    703338 2      C-13-H3C(O)CH3
  294934.5093  0.2846 -6.4862 3 1670.5456C24  595161404765521 2    765422 2      C-13-H3C(O)CH3
  294937.0502  0.0746 -5.6949 3 1288.6251B28  595161404703337 0    703238 0      C-13-H3C(O)CH3
  294937.0536  0.0746 -5.6949 3 1288.6251B28  595161404703437 0    703338 0      C-13-H3C(O)CH3
  294946.6883  0.0278 -5.0736 3  207.0711568  59516140435 234 0    35 135 0      C-13-H3C(O)CH3
  294946.6883  0.0278 -5.3862 3  207.0711568  59516140435 234 0    35 035 0      C-13-H3C(O)CH3
  294946.6883  0.0278 -5.3862 3  207.0711568  59516140435 134 0    35 135 0      C-13-H3C(O)CH3
  294946.6883  0.0278 -5.0736 3  207.0711568  59516140435 134 0    35 035 0      C-13-H3C(O)CH3
  294947.9303  0.0043 -4.7863 3   38.0209216  59516140413 7 7 2    12 4 8 2      C-13-H3C(O)CH3
  294964.9844  0.4324 -6.7018 3 1792.4861C72  595161404795623 1    795524 1      C-13-H3C(O)CH3
  294965.3161  0.0041 -4.7864 3   38.0219216  59516140413 7 7 1    12 4 8 1      C-13-H3C(O)CH3
  294976.5983  0.0360 -6.7671 3  389.3944284  5951614043532 3 3    3433 1 3      C-13-H3C(O)CH3
  294988.7045  0.0195 -5.6123 3  202.2450220  595161404271810 4    2619 7 4      C-13-H3C(O)CH3
  294997.4162  0.0093 -4.6813 3  156.5552392 -5951614042415 9 0    2316 8 0      C-13-H3C(O)CH3
  295012.6793  0.0058 -4.1557 3   68.9511132  5951614041612 4 3    1511 5 3      C-13-H3C(O)CH3
  295031.9961  0.0017 -3.9533 3  130.4871196 -59516140424 717 3    23 816 3      C-13-H3C(O)CH3
  295031.9961  0.0017 -3.9533 3  130.4872196 -59516140424 717 4    23 816 4      C-13-H3C(O)CH3
  295031.9961  0.0017 -3.9533 3  130.4871196 -59516140424 817 3    23 716 3      C-13-H3C(O)CH3
  295031.9961  0.0017 -3.9533 3  130.4872196 -59516140424 817 4    23 716 4      C-13-H3C(O)CH3
  295032.4356  0.2470 -6.8749 3 1762.5563652  595161404814239 4    814140 4      C-13-H3C(O)CH3
  295032.5088  0.2471 -6.8749 3 1762.5563652  595161404814239 3    814140 3      C-13-H3C(O)CH3
  295034.6975  0.2467 -6.8749 3 1762.5563652  595161404814339 4    814240 4      C-13-H3C(O)CH3
  295034.7712  0.2467 -6.8749 3 1762.5563652  595161404814339 3    814240 3      C-13-H3C(O)CH3
  295036.5546  0.0360 -6.7678 3  389.3702284  5951614043532 4 3    3433 2 3      C-13-H3C(O)CH3
  295036.8583  0.1058 -6.3075 3  807.0128396  5951614044949 0 3    4948 1 3      C-13-H3C(O)CH3
  295050.8157  0.3209 -6.4859 3 1670.5253C24  595161404765521 0    765422 0      C-13-H3C(O)CH3
  295050.8355  0.3209 -6.4859 3 1670.5253C24  595161404765522 0    765423 0      C-13-H3C(O)CH3
  295056.8200  0.2558 -6.5738 3 1762.5526D04  595161404814239 1    814140 1      C-13-H3C(O)CH3
  295059.1549  0.2561 -6.5738 3 1762.5526D04  595161404814339 1    814240 1      C-13-H3C(O)CH3
  295062.5943  0.2520 -6.5738 3 1762.5557D04  595161404814239 2    814140 2      C-13-H3C(O)CH3
  295064.6113  0.2517 -6.5738 3 1762.5558D04  595161404814339 2    814240 2      C-13-H3C(O)CH3
  295067.2407  0.3719 -6.7015 3 1792.4363C72  595161404795624 2    795525 2      C-13-H3C(O)CH3
  295086.8342  0.2574 -6.5736 3 1762.5521D04  595161404814239 0    814140 0      C-13-H3C(O)CH3
  295088.9172  0.2577 -6.5736 3 1762.5521D04  595161404814339 0    814240 0      C-13-H3C(O)CH3
  295093.1282  0.1311 -6.3489 3 1407.1007556  595161404695317 3    695217 3      C-13-H3C(O)CH3
  295102.0034  0.0020 -3.6522 3  130.4723392 -59516140424 817 1    23 716 1      C-13-H3C(O)CH3
  295102.0034  0.0020 -3.6522 3  130.4723392 -59516140424 717 1    23 816 1      C-13-H3C(O)CH3
  295103.7986  0.0019 -3.6523 3  130.4710392 -59516140424 817 2    23 716 2      C-13-H3C(O)CH3
  295103.7986  0.0019 -3.6523 3  130.4710392 -59516140424 717 2    23 816 2      C-13-H3C(O)CH3
  295111.3901  0.3911 -6.7015 3 1792.4693C72  595161404795623 2    795524 2      C-13-H3C(O)CH3
  295118.3148  0.1642 -6.3489 3 1407.1508556  595161404695316 4    695217 4      C-13-H3C(O)CH3
  295120.1272  0.0253 -6.0903 3  360.5583552  5951614043430 4 1    3331 2 1      C-13-H3C(O)CH3
  295143.3105  0.0332 -6.4645 3  389.4108568  5951614043532 4 2    3433 2 2      C-13-H3C(O)CH3
  295145.9911  0.1187 -6.3487 3 1407.0505556  595161404695317 4    695218 4      C-13-H3C(O)CH3
  295168.6993  0.0258 -6.0892 3  360.5903552  5951614043430 4 0    3331 3 0      C-13-H3C(O)CH3
  295168.6993  0.0258 -6.0892 3  360.5903552  5951614043430 5 0    3331 2 0      C-13-H3C(O)CH3
  295171.4259  0.1448 -6.3487 3 1407.1004556  595161404695316 3    695218 3      C-13-H3C(O)CH3
  295173.6097  0.0017 -3.6521 3  130.4563392 -59516140424 817 0    23 716 0      C-13-H3C(O)CH3
  295173.6097  0.0017 -3.6521 3  130.4563392 -59516140424 717 0    23 816 0      C-13-H3C(O)CH3
  295191.8934  0.0043 -4.7852 3   37.9678216  59516140413 7 7 0    12 4 8 0      C-13-H3C(O)CH3
  295203.0303  0.4646 -6.7013 3 1792.4591C72  595161404795623 0    795524 0      C-13-H3C(O)CH3
  295203.1755  0.4646 -6.7013 3 1792.4591C72  595161404795624 0    795525 0      C-13-H3C(O)CH3
  295230.4361  0.1179 -6.1437 3 1269.1593524  595161404655213 4    655114 4      C-13-H3C(O)CH3
  295242.7468  0.0112 -4.8754 3  142.6588188  5951614042314 9 3    2215 8 3      C-13-H3C(O)CH3
  295259.9444  0.0915 -6.1436 3 1269.1118524  595161404655214 3    655115 3      C-13-H3C(O)CH3
  295277.1692  0.0133 -6.2438 3  171.1178204  5951614042516 9 3    2417 7 3      C-13-H3C(O)CH3
  295296.3132  0.0106 -4.5957 3  142.6542376  5951614042314 9 1    2215 8 1      C-13-H3C(O)CH3
  295299.6169  0.1284 -6.0475 3 1407.1157B12  595161404695316 1    695217 1      C-13-H3C(O)CH3
  295304.1490  0.1032 -6.1436 3 1269.1190524  595161404655213 3    655114 3      C-13-H3C(O)CH3
  295304.6520  0.0112 -4.7235 3  156.5434392 -5951614042415 9 2    2316 8 2      C-13-H3C(O)CH3
  295315.4297  0.1097 -6.0473 3 1407.0702B12  595161404695317 2    695218 2      C-13-H3C(O)CH3
  295325.6332  0.0113 -5.7303 3  254.6821488  595161404302110 2    301813 2      C-13-H3C(O)CH3
  295333.4236  0.0923 -6.1434 3 1269.0716524  595161404655214 4    655115 4      C-13-H3C(O)CH3
  295340.5827  0.1391 -6.0474 3 1407.1203B12  595161404695316 2    695217 2      C-13-H3C(O)CH3
  295344.3469  0.0061 -6.9110 3   97.4217312  5951614041913 6 2    19 811 2      C-13-H3C(O)CH3
  295345.6590  0.0091 -5.7051 3  254.7024488  595161404302110 0    301813 0      C-13-H3C(O)CH3
  295352.6228  0.1143 -6.0473 3 1407.0655B12  595161404695317 1    695218 1      C-13-H3C(O)CH3
  295370.0403  0.0059 -6.9183 3   97.4238312  5951614041913 6 1    19 811 1      C-13-H3C(O)CH3
  295381.9244  0.0077 -4.6370 3  648.1298840  595161404521835 0    521636 0      C-13-H3C(O)CH3
  295381.9244  0.0077 -4.6370 3  648.1298840  595161404521735 0    521736 0      C-13-H3C(O)CH3
  295384.4944  0.0412 -6.7654 3  389.3391284  5951614043532 4 4    3433 2 4      C-13-H3C(O)CH3
  295385.0636  0.0022 -3.8057 3   68.9022264 -5951614041612 4 0    1511 5 0      C-13-H3C(O)CH3
  295389.1777  0.0953 -5.8423 3 1269.1306A48  595161404655213 2    655114 2      C-13-H3C(O)CH3
  295397.7316  0.0269 -6.3913 3  360.5148276  5951614043430 4 4    3331 2 4      C-13-H3C(O)CH3
  295406.9973  0.0529 -5.5648 3  964.1503888  5951614045550 6 2    5549 6 2      C-13-H3C(O)CH3
  295418.6590  0.0731 -5.8422 3 1269.0832A48  595161404655214 2    655115 2      C-13-H3C(O)CH3
  295427.0997  0.0862 -5.8423 3 1269.1237A48  595161404655213 1    655114 1      C-13-H3C(O)CH3
  295436.4117  0.0124 -5.2261 3  202.2474440  595161404271810 1    2619 7 1      C-13-H3C(O)CH3
  295446.2398  0.0096 -4.6796 3  648.1083840  595161404521835 2    521736 2      C-13-H3C(O)CH3
  295446.2398  0.0096 -4.6796 3  648.1083840  595161404521735 2    521636 2      C-13-H3C(O)CH3
  295446.2398  0.0096 -5.6588 3  648.1083840  595161404521735 2    521736 2      C-13-H3C(O)CH3
  295446.2398  0.0096 -5.6588 3  648.1083840  595161404521835 2    521636 2      C-13-H3C(O)CH3
  295446.3379  0.0091 -6.1640 3  648.1089840  595161404521835 1    521736 1      C-13-H3C(O)CH3
  295446.3379  0.0091 -4.6494 3  648.1089840  595161404521835 1    521636 1      C-13-H3C(O)CH3
  295446.3379  0.0091 -4.6404 3  648.1089840  595161404521735 1    521736 1      C-13-H3C(O)CH3
  295446.3379  0.0091 -6.6604 3  648.1089840  595161404521735 1    521636 1      C-13-H3C(O)CH3
  295446.4046  0.0253 -6.0891 3  360.5468552  5951614043430 4 2    3331 2 2      C-13-H3C(O)CH3
  295447.1188  0.0127 -5.1600 3  202.2497440  595161404271810 2    2619 7 2      C-13-H3C(O)CH3
  295447.6092  0.0459 -5.5648 3  964.1357888  5951614045550 5 0    5549 6 0      C-13-H3C(O)CH3
  295447.6092  0.0459 -5.5648 3  964.1357888  5951614045550 6 0    5549 7 0      C-13-H3C(O)CH3
  295471.4640  0.0087 -4.7561 3  171.1153408  5951614042516 9 0    2417 8 0      C-13-H3C(O)CH3
  295481.8154  0.0280 -6.0887 3  360.5195552  5951614043430 5 1    3331 3 1      C-13-H3C(O)CH3
  295500.5096  0.0780 -5.8421 3 1269.0834A48  595161404655214 1    655115 1      C-13-H3C(O)CH3
  295501.7227  0.0055 -6.8933 3   97.3998312  5951614041913 6 0    19 811 0      C-13-H3C(O)CH3
  295510.7450  0.0098 -6.3140 3  648.0874420  595161404521835 3    521736 3      C-13-H3C(O)CH3
  295510.7450  0.0098 -4.9557 3  648.0874420  595161404521735 3    521736 3      C-13-H3C(O)CH3
  295510.7450  0.0098 -6.3140 3  648.0874420  595161404521735 3    521636 3      C-13-H3C(O)CH3
  295510.7450  0.0098 -4.9557 3  648.0874420  595161404521835 3    521636 3      C-13-H3C(O)CH3
  295510.8210  0.0098 -5.0429 3  648.0874420  595161404521735 4    521736 4      C-13-H3C(O)CH3
  295510.8210  0.0098 -5.6019 3  648.0874420  595161404521735 4    521636 4      C-13-H3C(O)CH3
  295510.8210  0.0098 -5.0429 3  648.0874420  595161404521835 4    521636 4      C-13-H3C(O)CH3
  295510.8210  0.0098 -5.6019 3  648.0874420  595161404521835 4    521736 4      C-13-H3C(O)CH3
  295521.6424  0.1165 -6.0469 3 1407.0853B12  595161404695316 0    695217 0      C-13-H3C(O)CH3
  295521.6425  0.1165 -6.0469 3 1407.0853B12  595161404695317 0    695218 0      C-13-H3C(O)CH3
  295527.2586  0.0602 -5.8658 3  964.1815444  5951614045550 6 3    5549 6 3      C-13-H3C(O)CH3
  295529.6913  0.0131 -6.2670 3  195.9571424  5951614042620 7 1    261710 1      C-13-H3C(O)CH3
  295531.3873  0.0708 -5.8657 3  964.1773444  5951614045550 6 4    5549 7 4      C-13-H3C(O)CH3
  295563.7607  0.0149 -6.8734 3  254.6671244  5951614043021 9 3    301813 3      C-13-H3C(O)CH3
  295567.6661  0.0455 -5.5648 3  964.1669888  5951614045550 5 1    5549 6 1      C-13-H3C(O)CH3
  295571.4527  0.0227 -5.5314 3  563.1716728  595161404452817 0    452520 0      C-13-H3C(O)CH3
  295572.6686  0.0505 -5.5646 3  964.1627888  5951614045550 6 1    5549 7 1      C-13-H3C(O)CH3
  295581.8582  0.0471 -5.5647 3  964.1489888  5951614045550 5 2    5549 7 2      C-13-H3C(O)CH3
  295585.2530  0.0668 -5.8419 3 1269.0950A48  595161404655214 0    655115 0      C-13-H3C(O)CH3
  295585.2530  0.0668 -5.8419 3 1269.0950A48  595161404655213 0    655114 0      C-13-H3C(O)CH3
  295597.7845  0.0276 -6.3894 3  360.4994276  5951614043430 4 3    3331 2 3      C-13-H3C(O)CH3
  295628.1838  0.0223 -5.5294 3  563.1465728  595161404452817 2    452520 2      C-13-H3C(O)CH3
  295647.5929  0.0259 -6.0873 3  360.5314552  5951614043430 5 2    3331 3 2      C-13-H3C(O)CH3
  295652.5357  0.0112 -6.3765 3  254.6874488  5951614043021 9 1    301813 1      C-13-H3C(O)CH3
  295661.4978  0.0237 -5.5303 3  563.1530728  595161404452817 1    452520 1      C-13-H3C(O)CH3
  295665.2718  0.0520 -5.5467 3  617.4091760  595161404473017 0    472720 0      C-13-H3C(O)CH3
  295671.0616  0.0181 -6.5836 3  195.9466212  5951614042620 7 3    261710 3      C-13-H3C(O)CH3
  295689.0556  0.0135 -4.9846 3  156.5399196  5951614042415 9 3    2316 8 3      C-13-H3C(O)CH3
  295699.1263  0.0230 -5.8290 3  563.1278364  595161404452817 3    452520 3      C-13-H3C(O)CH3
  295702.9450  0.0594 -5.8656 3  964.1799444  5951614045550 5 4    5549 6 4      C-13-H3C(O)CH3
  295707.1355  0.0615 -5.8655 3  964.1757444  5951614045550 5 3    5549 7 3      C-13-H3C(O)CH3
  295737.4686  0.0163 -4.9267 3  142.6427188  5951614042314 9 4    2215 8 4      C-13-H3C(O)CH3
  295747.1336  0.0210 -5.8298 3  563.1279364  595161404452817 4    452520 4      C-13-H3C(O)CH3
  295754.5346  0.0219 -5.1562 3  982.1619A00  595161404622736 0    622637 0      C-13-H3C(O)CH3
  295754.5346  0.0219 -5.1563 3  982.1619A00  595161404622636 0    622537 0      C-13-H3C(O)CH3
  295757.5944  0.0276 -6.3896 3  360.4761276  5951614043430 5 3    3331 3 3      C-13-H3C(O)CH3
  295764.2161  0.0064 -4.8710 3  202.2542440  595161404271810 0    2619 7 0      C-13-H3C(O)CH3
  295766.6972  0.0160 -6.5787 3  254.6670244  5951614043021 9 4    301813 4      C-13-H3C(O)CH3
  295782.8884  0.0240 -5.1563 3  982.1723A00  595161404622636 1    622537 1      C-13-H3C(O)CH3
  295782.8884  0.0240 -5.1563 3  982.1723A00  595161404622736 1    622637 1      C-13-H3C(O)CH3
  295784.3462  0.0129 -5.7110 3  331.6690568  595161404351916 2    342213 2      C-13-H3C(O)CH3
  295786.8480  0.0294 -5.1560 3  982.1730A00  595161404622736 2    622637 2      C-13-H3C(O)CH3
  295786.8480  0.0294 -5.1560 3  982.1730A00  595161404622636 2    622537 2      C-13-H3C(O)CH3
  295807.0776  0.0130 -6.0131 3  331.6471284  595161404351916 4    342213 4      C-13-H3C(O)CH3
  295808.0821  0.0143 -6.0135 3  331.6470284  595161404351916 3    342213 3      C-13-H3C(O)CH3
  295815.2700  0.0292 -5.4570 3  982.1834500  595161404622736 3    622637 3      C-13-H3C(O)CH3
  295815.2700  0.0292 -5.4570 3  982.1834500  595161404622636 3    622537 3      C-13-H3C(O)CH3
  295815.3753  0.0293 -5.4569 3  982.1834500  595161404622636 4    622537 4      C-13-H3C(O)CH3
  295815.3753  0.0293 -5.4569 3  982.1834500  595161404622736 4    622637 4      C-13-H3C(O)CH3
  295826.1337  0.0091 -6.0977 3  366.5610300  595161404371918 3    362215 3      C-13-H3C(O)CH3
  295830.5744  0.0091 -6.0977 3  366.5609300  595161404371918 4    362215 4      C-13-H3C(O)CH3
  295852.5958  0.0120 -4.7464 3  156.5361392  5951614042415 9 1    2316 8 1      C-13-H3C(O)CH3
  295862.3688  0.0102 -6.9775 3  254.6821488  5951614043021 9 2    301813 2      C-13-H3C(O)CH3
  295887.3689  0.0120 -4.8696 3  171.0954408  5951614042516 9 2    2417 8 2      C-13-H3C(O)CH3
  295916.5532  0.0099 -5.7947 3  366.5818600  595161404371918 2    362215 2      C-13-H3C(O)CH3
  295917.3592  0.0183 -6.6696 3  195.9466212  5951614042620 6 3    261710 3      C-13-H3C(O)CH3
  295933.8032  0.0096 -5.7967 3  366.5864600  595161404371918 1    362215 1      C-13-H3C(O)CH3
  295956.4168  0.0321 -6.3878 3  360.4606276  5951614043430 5 4    3331 3 4      C-13-H3C(O)CH3
  295998.9552  0.0142 -6.2892 3  195.9573424  5951614042620 7 2    261710 2      C-13-H3C(O)CH3
  296012.6679  0.0018 -3.9016 3  135.4270204 -59516140425 619 4    24 718 4      C-13-H3C(O)CH3
  296012.6679  0.0018 -3.9016 3  135.4269204 -59516140425 719 3    24 618 3      C-13-H3C(O)CH3
  296012.6679  0.0018 -3.9016 3  135.4270204 -59516140425 719 4    24 618 4      C-13-H3C(O)CH3
  296012.6679  0.0018 -3.9016 3  135.4269204 -59516140425 619 3    24 718 3      C-13-H3C(O)CH3
  296021.9592  0.0117 -5.7087 3  331.6905568  595161404351916 0    342213 0      C-13-H3C(O)CH3
  296023.5961  0.0094 -5.7947 3  366.6072600  595161404371918 0    362215 0      C-13-H3C(O)CH3
  296029.7687  0.0151 -5.3717 3  202.2147220  595161404271810 3    2619 7 3      C-13-H3C(O)CH3
  296039.6558  0.0122 -5.7100 3  331.6688568  595161404351916 1    342213 1      C-13-H3C(O)CH3
  296045.9308  0.0775 -5.9529 3 1110.4240484  5951614046051 9 4    605010 4      C-13-H3C(O)CH3
  296075.6673  0.0021 -3.6005 3  135.4094408 -59516140425 619 1    24 718 1      C-13-H3C(O)CH3
  296075.6673  0.0021 -3.6005 3  135.4094408 -59516140425 719 1    24 618 1      C-13-H3C(O)CH3
  296076.8339  0.0020 -3.6006 3  135.4085408 -59516140425 719 2    24 618 2      C-13-H3C(O)CH3
  296076.8339  0.0020 -3.6006 3  135.4085408 -59516140425 619 2    24 718 2      C-13-H3C(O)CH3
  296077.3045  0.0624 -5.6518 3 1110.3978968  5951614046051 9 2    605010 2      C-13-H3C(O)CH3
  296085.8821  0.0070 -4.6109 3  616.9080824  595161404511635 0    511636 0      C-13-H3C(O)CH3
  296085.8821  0.0070 -4.6109 3  616.9080824  595161404511735 0    511536 0      C-13-H3C(O)CH3
  296085.8821  0.0070 -6.0141 3  616.9080824  595161404511635 0    511536 0      C-13-H3C(O)CH3
  296085.8821  0.0070 -6.0141 3  616.9080824  595161404511735 0    511636 0      C-13-H3C(O)CH3
  296105.9466  0.0672 -5.9528 3 1110.4038484  5951614046051 9 3    605010 3      C-13-H3C(O)CH3
  296139.7018  0.0018 -3.6004 3  135.3910408 -59516140425 719 0    24 618 0      C-13-H3C(O)CH3
  296139.7018  0.0018 -3.6004 3  135.3910408 -59516140425 619 0    24 718 0      C-13-H3C(O)CH3
  296144.5798  0.0087 -4.5979 3  616.8836824  595161404511635 2    511536 2      C-13-H3C(O)CH3
  296144.5798  0.0087 -4.5980 3  616.8836824  595161404511735 2    511636 2      C-13-H3C(O)CH3
  296144.5798  0.0087 -6.6202 3  616.8836824  595161404511635 2    511636 2      C-13-H3C(O)CH3
  296144.5798  0.0087 -6.6102 3  616.8836824  595161404511735 2    511536 2      C-13-H3C(O)CH3
  296145.0661  0.0084 -4.7658 3  616.8842824  595161404511735 1    511636 1      C-13-H3C(O)CH3
  296145.0661  0.0084 -4.7658 3  616.8842824  595161404511635 1    511536 1      C-13-H3C(O)CH3
  296145.0661  0.0084 -5.0793 3  616.8842824  595161404511735 1    511536 1      C-13-H3C(O)CH3
  296145.0661  0.0084 -5.0793 3  616.8842824  595161404511635 1    511636 1      C-13-H3C(O)CH3
  296160.9872  0.0681 -5.9527 3 1110.3924484  595161404605110 3    605011 3      C-13-H3C(O)CH3
  296164.3313  0.0144 -5.0826 3  171.0882204  5951614042516 9 3    2417 8 3      C-13-H3C(O)CH3
  296164.6113  0.0461 -5.5491 3  617.3890760  595161404473017 1    472720 1      C-13-H3C(O)CH3
  296177.7014  0.0208 -5.7921 3  333.0129536  5951614043328 6 0    3229 3 0      C-13-H3C(O)CH3
  296177.7017  0.0208 -5.7921 3  333.0129536  5951614043328 5 0    3229 4 0      C-13-H3C(O)CH3
  296192.0261  0.0568 -5.6516 3 1110.3662968  595161404605110 2    605011 2      C-13-H3C(O)CH3
  296203.8492  0.0092 -5.0041 3  616.8597412  595161404511635 3    511636 3      C-13-H3C(O)CH3
  296203.8492  0.0092 -5.5466 3  616.8597412  595161404511635 3    511536 3      C-13-H3C(O)CH3
  296203.8492  0.0092 -5.0041 3  616.8597412  595161404511735 3    511536 3      C-13-H3C(O)CH3
  296203.8492  0.0092 -5.5466 3  616.8597412  595161404511735 3    511636 3      C-13-H3C(O)CH3
  296203.8929  0.0092 -5.2411 3  616.8597412  595161404511735 4    511636 4      C-13-H3C(O)CH3
  296203.8929  0.0092 -5.0715 3  616.8597412  595161404511735 4    511536 4      C-13-H3C(O)CH3
  296203.8929  0.0092 -5.6850 3  616.8597412  595161404511635 4    511636 4      C-13-H3C(O)CH3
  296203.8929  0.0092 -4.9331 3  616.8597412  595161404511635 4    511536 4      C-13-H3C(O)CH3
  296205.7694  0.0597 -5.6516 3 1110.3966968  5951614046051 9 1    605010 1      C-13-H3C(O)CH3
  296220.8911  0.0719 -5.9526 3 1110.3722484  595161404605110 4    605011 4      C-13-H3C(O)CH3
  296236.1735  0.0514 -5.6515 3 1110.3704968  595161404605110 0    605011 0      C-13-H3C(O)CH3
  296236.1735  0.0514 -5.6515 3 1110.3704968  5951614046051 9 0    605010 0      C-13-H3C(O)CH3
  296239.5818  0.0203 -5.7927 3  332.9690536  5951614043328 5 1    3229 3 1      C-13-H3C(O)CH3
  296250.6158  0.0122 -6.9062 3   31.2083 92  5951614041110 2 4    10 7 3 4      C-13-H3C(O)CH3
  296265.1307  0.0541 -5.6515 3 1110.3765968  595161404605110 1    605011 1      C-13-H3C(O)CH3
  296302.9686  0.0108 -4.4783 3   68.9135264  5951614041612 4 2    1511 5 2      C-13-H3C(O)CH3
  296338.7817  0.0103 -5.6542 3  269.7318504  595161404312111 1    311814 1      C-13-H3C(O)CH3
  296374.5022  0.0106 -5.1825 3  202.2188440  595161404271810 2    2619 8 2      C-13-H3C(O)CH3
  296406.3423  0.0130 -5.9578 3  269.7093252  595161404312111 4    311814 4      C-13-H3C(O)CH3
  296412.0444  0.0165 -5.3892 3  186.3578212  5951614042617 9 4    2518 7 4      C-13-H3C(O)CH3
  296418.9908  0.0113 -5.9555 3  269.7093252  595161404312111 3    311814 3      C-13-H3C(O)CH3
  296428.9268  0.0132 -5.6006 3  202.2013220  595161404271810 3    2619 8 3      C-13-H3C(O)CH3
  296431.5883  0.0222 -5.5759 3  398.9420616  595161404382315 2    382018 2      C-13-H3C(O)CH3
  296445.8598  0.0188 -6.5617 3  654.0350808  595161404502327 1    492624 1      C-13-H3C(O)CH3
  296448.8230  0.0187 -5.1082 3  156.5150196  5951614042415 9 4    2316 8 4      C-13-H3C(O)CH3
  296453.1356  0.0155 -6.5619 3  654.0455808  595161404502327 0    492624 0      C-13-H3C(O)CH3
  296462.4692  0.0126 -4.9100 3  171.0847408  5951614042516 9 1    2417 8 1      C-13-H3C(O)CH3
  296463.3661  0.0238 -6.8612 3  654.0225404  595161404502327 4    492624 4      C-13-H3C(O)CH3
  296463.3826  0.0237 -6.8612 3  654.0225404  595161404502327 3    492624 3      C-13-H3C(O)CH3
  296470.7870  0.0222 -6.5603 3  654.0331808  595161404502327 2    492624 2      C-13-H3C(O)CH3
  296475.9984  0.0739 -5.5515 3  617.3798760  595161404473017 2    472720 2      C-13-H3C(O)CH3
  296491.3143  0.0187 -6.5615 3  654.0334808  595161404502427 1    492524 1      C-13-H3C(O)CH3
  296496.2926  0.0155 -6.5618 3  654.0441808  595161404502427 0    492524 0      C-13-H3C(O)CH3
  296505.8997  0.0105 -5.3957 3  209.8800228  595161404281613 3    271710 3      C-13-H3C(O)CH3
  296509.3014  0.0073 -5.3957 3  209.8799228  595161404281613 4    271710 4      C-13-H3C(O)CH3
  296511.8222  0.0241 -6.8610 3  654.0209404  595161404502427 4    492524 4      C-13-H3C(O)CH3
  296511.9783  0.0240 -6.8610 3  654.0209404  595161404502427 3    492524 3      C-13-H3C(O)CH3
  296514.4990  0.0108 -4.5661 3   68.9074264  5951614041612 4 1    1511 5 1      C-13-H3C(O)CH3
  296516.9119  0.0225 -6.5601 3  654.0316808  595161404502427 2    492524 2      C-13-H3C(O)CH3
  296527.5911  0.0206 -5.7914 3  332.9669536  5951614043328 5 2    3229 3 2      C-13-H3C(O)CH3
  296528.1286  0.0216 -5.7912 3  332.9474536  5951614043328 6 1    3229 4 1      C-13-H3C(O)CH3
  296530.0933  0.0674 -5.9182 3 1247.1137556  595161404693237 3    693138 3      C-13-H3C(O)CH3
  296530.0949  0.0674 -5.9182 3 1247.1137556  595161404693337 3    693238 3      C-13-H3C(O)CH3
  296530.1034  0.0674 -5.9182 3 1247.1137556  595161404693237 4    693138 4      C-13-H3C(O)CH3
  296530.1049  0.0674 -5.9182 3 1247.1137556  595161404693337 4    693238 4      C-13-H3C(O)CH3
  296541.8961  0.0641 -5.6171 3 1247.0940B12  595161404693237 1    693138 1      C-13-H3C(O)CH3
  296541.8976  0.0641 -5.6171 3 1247.0940B12  595161404693337 1    693238 1      C-13-H3C(O)CH3
  296546.8081  0.0670 -5.6172 3 1247.0962B12  595161404693237 2    693138 2      C-13-H3C(O)CH3
  296546.8093  0.0670 -5.6172 3 1247.0962B12  595161404693337 2    693238 2      C-13-H3C(O)CH3
  296550.1617  0.0472 -5.5851 3  938.3281872  5951614045450 5 0    5449 6 0      C-13-H3C(O)CH3
  296550.1617  0.0472 -5.5851 3  938.3281872  5951614045450 4 0    5449 5 0      C-13-H3C(O)CH3
  296555.8896  0.0572 -5.5850 3  938.3398872  5951614045450 5 2    5449 6 2      C-13-H3C(O)CH3
  296558.2480  0.1789 -6.5286 3 1518.3381580  595161404725418 3    725319 3      C-13-H3C(O)CH3
  296558.6308  0.0639 -5.6170 3 1247.0766B12  595161404693237 0    693138 0      C-13-H3C(O)CH3
  296558.6319  0.0639 -5.6170 3 1247.0766B12  595161404693337 0    693238 0      C-13-H3C(O)CH3
  296561.6629  0.0244 -5.8769 3  398.9185308  595161404382315 4    382018 4      C-13-H3C(O)CH3
  296565.2396  0.0250 -5.8769 3  398.9185308  595161404382315 3    382018 3      C-13-H3C(O)CH3
  296583.6448  0.0203 -5.7901 3  332.9644536  5951614043328 6 2    3229 4 2      C-13-H3C(O)CH3
  296588.0942  0.0222 -6.0931 3  332.9230268  5951614043328 5 4    3229 3 4      C-13-H3C(O)CH3
  296589.8861  0.0122 -5.2320 3  186.3554424  5951614042617 9 2    2518 7 2      C-13-H3C(O)CH3
  296593.6651  0.1523 -6.5284 3 1518.2845580  595161404725419 4    725320 4      C-13-H3C(O)CH3
  296600.9072  0.2102 -6.5287 3 1518.3861580  595161404725418 4    725319 4      C-13-H3C(O)CH3
  296604.2624  0.0249 -6.9223 3  240.1137472  5951614042921 9 2    2822 6 2      C-13-H3C(O)CH3
  296607.3702  0.0092 -5.6446 3  269.7485504  595161404312111 0    311814 0      C-13-H3C(O)CH3
  296614.5779  0.0071 -5.0939 3  209.8921456  595161404281613 1    271710 1      C-13-H3C(O)CH3
  296626.5177  0.0157 -5.5778 3  398.9712616  595161404382315 0    382018 0      C-13-H3C(O)CH3
  296636.4777  0.1854 -6.5285 3 1518.3324580  595161404725419 3    725320 3      C-13-H3C(O)CH3
  296642.8651  0.0219 -6.0918 3  332.9205268  5951614043328 5 3    3229 3 3      C-13-H3C(O)CH3
  296685.1584  0.0486 -5.5850 3  938.3658872  5951614045450 4 1    5449 5 1      C-13-H3C(O)CH3
  296687.6249  0.0094 -5.6460 3  269.7260504  595161404312111 2    311814 2      C-13-H3C(O)CH3
  296691.3745  0.0670 -5.8860 3  938.3774436  5951614045450 5 3    5449 5 3      C-13-H3C(O)CH3
  296716.2821  0.0539 -5.5848 3  938.3566872  5951614045450 5 1    5449 6 1      C-13-H3C(O)CH3
  296721.6597  0.0785 -5.8858 3  938.3683436  5951614045450 5 4    5449 6 4      C-13-H3C(O)CH3
  296732.6417  0.0091 -5.1218 3  202.2042440  595161404271810 1    2619 8 1      C-13-H3C(O)CH3
  296736.9728  0.0502 -5.5848 3  938.3470872  5951614045450 4 2    5449 5 2      C-13-H3C(O)CH3
  296753.5259  0.0064 -5.4339 3  586.2669808  595161404501535 0    501536 0      C-13-H3C(O)CH3
  296753.5259  0.0064 -5.4339 3  586.2669808  595161404501635 0    501436 0      C-13-H3C(O)CH3
  296753.7524  0.0064 -4.6160 3  586.2669808 -595161404501535 0    501436 0      C-13-H3C(O)CH3
  296753.7524  0.0064 -4.6160 3  586.2669808 -595161404501635 0    501536 0      C-13-H3C(O)CH3
  296755.1188  0.0171 -5.5778 3  398.9478616  595161404382315 1    382018 1      C-13-H3C(O)CH3
  296758.1736  0.0117 -5.1619 3  186.3552424  5951614042617 9 1    2518 7 1      C-13-H3C(O)CH3
  296762.0972  0.1824 -6.2272 3 1518.3563B60  595161404725418 1    725319 1      C-13-H3C(O)CH3
  296780.0471  0.0070 -5.0882 3  209.8812456  595161404281613 2    271710 2      C-13-H3C(O)CH3
  296786.5599  0.0146 -6.3858 3  195.9571424  5951614042620 6 1    261710 1      C-13-H3C(O)CH3
  296797.7099  0.1573 -6.2270 3 1518.3027B60  595161404725419 1    725320 1      C-13-H3C(O)CH3
  296803.6478  0.0080 -4.7302 3  586.2400808  595161404501535 2    501436 2      C-13-H3C(O)CH3
  296803.6478  0.0080 -5.0317 3  586.2400808  595161404501535 2    501536 2      C-13-H3C(O)CH3
  296803.6478  0.0080 -4.7302 3  586.2400808  595161404501635 2    501536 2      C-13-H3C(O)CH3
  296803.6478  0.0080 -5.0317 3  586.2400808  595161404501635 2    501436 2      C-13-H3C(O)CH3
  296804.4838  0.0079 -4.5901 3  586.2406808  595161404501635 1    501436 1      C-13-H3C(O)CH3
  296804.4838  0.0079 -5.6560 3  586.2406808  595161404501635 1    501536 1      C-13-H3C(O)CH3
  296804.4838  0.0079 -4.5901 3  586.2406808  595161404501535 1    501536 1      C-13-H3C(O)CH3
  296804.4838  0.0079 -5.6560 3  586.2406808  595161404501535 1    501436 1      C-13-H3C(O)CH3
  296807.3812  0.1555 -6.2270 3 1518.3087B60  595161404725419 2    725320 2      C-13-H3C(O)CH3
  296817.1291  0.0111 -6.0228 3  195.9692424  5951614042620 7 0    261710 0      C-13-H3C(O)CH3
  296820.2291  0.1308 -6.3694 3 1494.7851604  595161404753738 4    753639 4      C-13-H3C(O)CH3
  296820.2803  0.1308 -6.3694 3 1494.7851604  595161404753738 3    753639 3      C-13-H3C(O)CH3
  296820.2993  0.1308 -6.3694 3 1494.7851604  595161404753838 4    753739 4      C-13-H3C(O)CH3
  296820.3507  0.1308 -6.3694 3 1494.7851604  595161404753838 3    753739 3      C-13-H3C(O)CH3
  296849.8284  0.3607 -6.9245 3 1948.7719D68  595161404854540 1    854441 1      C-13-H3C(O)CH3
  296849.9692  0.1873 -6.2271 3 1518.3567B60  595161404725418 2    725319 2      C-13-H3C(O)CH3
  296850.2847  0.1370 -6.0683 3 1494.7703C08  595161404753738 1    753639 1      C-13-H3C(O)CH3
  296850.3552  0.1370 -6.0683 3 1494.7703C08  595161404753838 1    753739 1      C-13-H3C(O)CH3
  296854.6812  0.0086 -4.9010 3  586.2137404  595161404501635 3    501436 3      C-13-H3C(O)CH3
  296854.6812  0.0086 -5.8534 3  586.2137404  595161404501635 3    501536 3      C-13-H3C(O)CH3
  296854.6812  0.0086 -4.9010 3  586.2137404  595161404501535 3    501536 3      C-13-H3C(O)CH3
  296854.6812  0.0086 -5.8534 3  586.2137404  595161404501535 3    501436 3      C-13-H3C(O)CH3
  296854.6856  0.0086 -4.8653 3  586.2136404  595161404501635 4    501436 4      C-13-H3C(O)CH3
  296854.6856  0.0086 -4.8653 3  586.2136404  595161404501535 4    501536 4      C-13-H3C(O)CH3
  296854.6856  0.0086 -6.4890 3  586.2136404  595161404501535 4    501436 4      C-13-H3C(O)CH3
  296854.6856  0.0086 -6.4890 3  586.2136404  595161404501635 4    501536 4      C-13-H3C(O)CH3
  296854.7082  0.1340 -6.0684 3 1494.7735C08  595161404753738 2    753639 2      C-13-H3C(O)CH3
  296854.7669  0.1340 -6.0684 3 1494.7735C08  595161404753838 2    753739 2      C-13-H3C(O)CH3
  296858.4933  0.3643 -6.9246 3 1948.7741D68  595161404854540 2    854441 2      C-13-H3C(O)CH3
  296859.9913  0.3614 -6.9245 3 1948.7719D68  595161404854640 1    854541 1      C-13-H3C(O)CH3
  296867.3945  0.3626 -6.9246 3 1948.7742D68  595161404854640 2    854541 2      C-13-H3C(O)CH3
  296869.3882  0.3620 -6.9245 3 1948.7780D68  595161404854540 0    854441 0      C-13-H3C(O)CH3
  296873.3719  0.0638 -5.8858 3  938.3846436  5951614045450 4 4    5449 5 4      C-13-H3C(O)CH3
  296874.8779  0.0217 -6.0916 3  332.9014268  5951614043328 6 3    3229 4 3      C-13-H3C(O)CH3
  296878.7001  0.3627 -6.9245 3 1948.7781D68  595161404854640 0    854541 0      C-13-H3C(O)CH3
  296879.3092  0.0606 -5.8500 3  617.3595380  595161404473017 3    472720 3      C-13-H3C(O)CH3
  296881.2265  0.0188 -5.0922 3  945.1626984  595161404612636 0    612537 0      C-13-H3C(O)CH3
  296881.2265  0.0188 -5.0929 3  945.1626984  595161404612536 0    612437 0      C-13-H3C(O)CH3
  296884.5168  0.0051 -5.0876 3  209.8934456  595161404281613 0    271710 0      C-13-H3C(O)CH3
  296884.6801  0.1380 -6.0682 3 1494.7587C08  595161404753738 0    753639 0      C-13-H3C(O)CH3
  296884.7389  0.1381 -6.0682 3 1494.7587C08  595161404753838 0    753739 0      C-13-H3C(O)CH3
  296897.4109  0.0052 -6.4079 3  183.2555424  595161404261611 2    2517 9 2      C-13-H3C(O)CH3
  296903.7711  0.0678 -5.8856 3  938.3754436  5951614045450 4 3    5449 6 3      C-13-H3C(O)CH3
  296917.6005  0.0210 -5.0922 3  945.1704984  595161404612636 1    612537 1      C-13-H3C(O)CH3
  296917.6005  0.0210 -5.0924 3  945.1704984  595161404612536 1    612437 1      C-13-H3C(O)CH3
  296921.2301  0.0261 -5.0920 3  945.1710984  595161404612536 2    612437 2      C-13-H3C(O)CH3
  296921.2301  0.0261 -5.0920 3  945.1710984  595161404612636 2    612537 2      C-13-H3C(O)CH3
  296930.0744  0.0250 -6.0903 3  332.8988268  5951614043328 6 4    3229 4 4      C-13-H3C(O)CH3
  296957.5368  0.0101 -5.0845 3  240.1289472  5951614042921 9 0    2822 6 0      C-13-H3C(O)CH3
  296957.6787  0.0256 -5.3932 3  945.1788492  595161404612536 3    612437 3      C-13-H3C(O)CH3
  296957.6787  0.0256 -5.3931 3  945.1788492  595161404612636 3    612537 3      C-13-H3C(O)CH3
  296957.7968  0.0257 -5.3931 3  945.1788492  595161404612636 4    612537 4      C-13-H3C(O)CH3
  296957.7968  0.0257 -5.3929 3  945.1788492  595161404612536 4    612437 4      C-13-H3C(O)CH3
  297010.2850  0.0151 -6.3635 3  195.9573424  5951614042620 6 2    261710 2      C-13-H3C(O)CH3
  297011.1259  0.1789 -6.2267 3 1518.3270B60  595161404725418 0    725319 0      C-13-H3C(O)CH3
  297011.1264  0.1789 -6.2267 3 1518.3270B60  595161404725419 0    725320 0      C-13-H3C(O)CH3
  297016.8596  0.0219 -6.7233 3  195.9437212  5951614042620 6 4    261710 4      C-13-H3C(O)CH3
  297045.9789  0.0019 -3.8658 3  139.8104212 -59516140426 621 3    25 520 3      C-13-H3C(O)CH3
  297045.9789  0.0019 -6.0022 3  139.8104212 -59516140426 521 3    25 520 3      C-13-H3C(O)CH3
  297046.0122  0.0019 -5.5060 3  139.8104212  59516140426 621 3    25 620 3      C-13-H3C(O)CH3
  297046.0122  0.0019 -3.8591 3  139.8104212  59516140426 521 3    25 620 3      C-13-H3C(O)CH3
  297046.0220  0.0019 -3.8560 3  139.8105212  59516140426 621 4    25 520 4      C-13-H3C(O)CH3
  297046.0220  0.0019 -3.8560 3  139.8105212  59516140426 521 4    25 620 4      C-13-H3C(O)CH3
  297070.6310  0.0102 -5.0841 3  240.1289472  5951614042921 8 0    2822 7 0      C-13-H3C(O)CH3
  297076.9609  0.0094 -5.0897 3  240.1137472  5951614042921 8 2    2822 6 2      C-13-H3C(O)CH3
  297077.0846  0.0756 -5.8596 3  617.3597380  595161404473017 4    472720 4      C-13-H3C(O)CH3
  297102.2462  0.0021 -3.5553 3  139.7890424 -59516140426 521 1    25 620 1      C-13-H3C(O)CH3
  297102.3226  0.0021 -3.5548 3  139.7890424  59516140426 621 1    25 520 1      C-13-H3C(O)CH3
  297102.3226  0.0021 -6.4973 3  139.7890424  59516140426 521 1    25 520 1      C-13-H3C(O)CH3
  297102.9078  0.0021 -3.5552 3  139.7882424 -59516140426 521 2    25 620 2      C-13-H3C(O)CH3
  297102.9078  0.0021 -6.7502 3  139.7882424 -59516140426 621 2    25 620 2      C-13-H3C(O)CH3
  297102.9525  0.0021 -3.5552 3  139.7882424  59516140426 621 2    25 520 2      C-13-H3C(O)CH3
  297102.9525  0.0021 -6.5954 3  139.7882424  59516140426 521 2    25 520 2      C-13-H3C(O)CH3
  297106.6988  0.1087 -6.1055 3 1238.3579516  595161404645212 4    645113 4      C-13-H3C(O)CH3
  297129.7599  0.0197 -5.2814 3  171.0570204  5951614042516 9 4    2417 8 4      C-13-H3C(O)CH3
  297159.0914  0.0019 -6.2887 3  139.7668424 -59516140426 621 0    25 620 0      C-13-H3C(O)CH3
  297159.1253  0.0019 -3.5555 3  139.7668424  59516140426 621 0    25 520 0      C-13-H3C(O)CH3
  297159.1253  0.0019 -3.5548 3  139.7668424  59516140426 521 0    25 620 0      C-13-H3C(O)CH3
  297160.1248  0.0058 -6.0750 3  183.2506424  595161404261611 1    2517 9 1      C-13-H3C(O)CH3
  297163.3759  0.0867 -6.1053 3 1238.3127516  595161404645213 3    645114 3      C-13-H3C(O)CH3
  297168.5481  0.0080 -4.8100 3  186.3462424 -5951614042617 9 0    2518 8 0      C-13-H3C(O)CH3
  297186.0266  0.0954 -6.1053 3 1238.3216516  595161404645212 3    645113 3      C-13-H3C(O)CH3
  297207.4685  0.0133 -5.3639 3  202.1710220  595161404271810 4    2619 8 4      C-13-H3C(O)CH3
  297238.1432  0.0879 -5.8041 3 1238.3309A32  595161404645212 2    645113 2      C-13-H3C(O)CH3
  297241.2778  0.0020 -5.9620 3   75.4765140  5951614041711 6 4    1610 6 4      C-13-H3C(O)CH3
  297242.4858  0.0903 -6.1051 3 1238.2763516  595161404645213 4    645114 4      C-13-H3C(O)CH3
  297294.7318  0.0695 -5.8040 3 1238.2857A32  595161404645213 2    645114 2      C-13-H3C(O)CH3
  297302.4838  0.0804 -5.8040 3 1238.3247A32  595161404645212 1    645113 1      C-13-H3C(O)CH3
  297318.2951  0.0076 -6.4023 3  138.7774188  595161404231311 4    231014 4      C-13-H3C(O)CH3
  297318.4241  0.0139 -5.8180 3  186.3254212  5951614042617 9 3    2518 7 3      C-13-H3C(O)CH3
  297321.2391  0.0057 -6.4023 3  138.7773188  595161404231311 3    231014 3      C-13-H3C(O)CH3
  297321.4348  0.0096 -5.0850 3  240.1022472  5951614042921 8 1    2822 6 1      C-13-H3C(O)CH3
  297340.7147  0.1186 -6.2998 3 1374.2802548  595161404685316 3    685217 3      C-13-H3C(O)CH3
  297340.8432  0.1538 -6.2999 3 1374.3306548  595161404685315 4    685216 4      C-13-H3C(O)CH3
  297341.7950  0.0070 -6.7897 3  109.3825328  5951614042014 6 1    20 911 1      C-13-H3C(O)CH3
  297342.3621  0.0098 -5.0893 3  240.0891472  5951614042921 9 2    2822 7 2      C-13-H3C(O)CH3
  297349.1727  0.0096 -5.0857 3  240.0729472  5951614042921 9 1    2822 7 1      C-13-H3C(O)CH3
  297352.8616  0.0069 -6.7730 3  109.3797328  5951614042014 6 2    20 911 2      C-13-H3C(O)CH3
  297378.2205  0.0131 -5.3839 3  240.0868236  5951614042921 8 4    2822 6 4      C-13-H3C(O)CH3
  297379.3348  0.0020 -6.1679 3   75.4427280  5951614041711 6 1    1610 6 1      C-13-H3C(O)CH3
  297381.4137  0.0725 -5.8038 3 1238.2884A32  595161404645213 1    645114 1      C-13-H3C(O)CH3
  297387.3520  0.0059 -4.5189 3  556.2075792  595161404491435 0    491436 0      C-13-H3C(O)CH3
  297387.3520  0.0059 -4.5189 3  556.2075792  595161404491535 0    491336 0      C-13-H3C(O)CH3
  297388.8359  0.0102 -6.0277 3  183.2323212  595161404261611 4    2517 9 4      C-13-H3C(O)CH3
  297400.3508  0.0104 -5.3935 3  240.0574236  5951614042921 9 3    2822 7 3      C-13-H3C(O)CH3
  297405.4694  0.0022 -6.3329 3   75.4361280  5951614041711 6 2    1610 6 2      C-13-H3C(O)CH3
  297411.9610  0.1122 -6.2996 3 1374.2323548  595161404685316 4    685217 4      C-13-H3C(O)CH3
  297412.3440  0.1352 -6.2997 3 1374.2826548  595161404685315 3    685216 3      C-13-H3C(O)CH3
  297423.3288  0.0056 -6.7253 3  109.3635328  5951614042014 6 0    20 911 0      C-13-H3C(O)CH3
  297425.6119  0.0075 -4.5226 3  556.1787792  595161404491435 2    491436 2      C-13-H3C(O)CH3
  297425.6119  0.0075 -4.5305 3  556.1787792  595161404491535 2    491336 2      C-13-H3C(O)CH3
  297425.6119  0.0075 -6.4790 3  556.1787792  595161404491435 2    491336 2      C-13-H3C(O)CH3
  297425.6119  0.0075 -6.0575 3  556.1787792  595161404491535 2    491436 2      C-13-H3C(O)CH3
  297426.7523  0.0076 -5.1027 3  556.1794792  595161404491535 1    491336 1      C-13-H3C(O)CH3
  297426.7523  0.0076 -4.6486 3  556.1794792  595161404491535 1    491436 1      C-13-H3C(O)CH3
  297426.7523  0.0076 -5.1027 3  556.1794792  595161404491435 1    491436 1      C-13-H3C(O)CH3
  297426.7523  0.0076 -4.6486 3  556.1794792  595161404491435 1    491336 1      C-13-H3C(O)CH3
  297433.2200  0.0615 -5.8037 3 1238.2977A32  595161404645213 0    645113 0      C-13-H3C(O)CH3
  297433.2200  0.0615 -5.8037 3 1238.2977A32  595161404645212 0    645114 0      C-13-H3C(O)CH3
  297439.7252  0.0057 -6.0982 3  138.7678376  595161404231311 2    231014 2      C-13-H3C(O)CH3
  297465.0321  0.0081 -4.8541 3  556.1505396  595161404491535 4    491336 4      C-13-H3C(O)CH3
  297465.0321  0.0081 -4.8541 3  556.1505396  595161404491435 4    491436 4      C-13-H3C(O)CH3
  297465.0321  0.0081 -5.9240 3  556.1505396  595161404491535 4    491436 4      C-13-H3C(O)CH3
  297465.0321  0.0081 -5.9240 3  556.1505396  595161404491435 4    491336 4      C-13-H3C(O)CH3
  297465.0732  0.0082 -5.5799 3  556.1506396  595161404491535 3    491436 3      C-13-H3C(O)CH3
  297465.0732  0.0082 -4.9013 3  556.1506396  595161404491535 3    491336 3      C-13-H3C(O)CH3
  297465.0732  0.0082 -4.9013 3  556.1506396  595161404491435 3    491436 3      C-13-H3C(O)CH3
  297465.0732  0.0082 -5.5799 3  556.1506396  595161404491435 3    491336 3      C-13-H3C(O)CH3
  297502.9820  0.0056 -6.0989 3  138.7699376  595161404231311 1    231014 1      C-13-H3C(O)CH3
  297533.7187  0.1155 -5.9985 3 1374.2964A96  595161404685315 1    685216 1      C-13-H3C(O)CH3
  297533.7744  0.0600 -5.6330 3 1082.1079952  5951614045951 8 2    5950 9 2      C-13-H3C(O)CH3
  297540.3400  0.0743 -5.9340 3 1082.1338476  5951614045951 8 4    5950 9 4      C-13-H3C(O)CH3
  297547.7165  0.0967 -5.9983 3 1374.2520A96  595161404685316 2    685217 2      C-13-H3C(O)CH3
  297547.8315  0.1277 -5.9984 3 1374.3024A96  595161404685315 2    685216 2      C-13-H3C(O)CH3
  297555.5802  0.0045 -5.7106 3   25.7820100  59516140412 3 9 3    11 210 3      C-13-H3C(O)CH3
  297555.7448  0.2187 -6.7794 3 1714.8593644  595161404804139 4    804040 4      C-13-H3C(O)CH3
  297555.8175  0.2187 -6.7794 3 1714.8593644  595161404804139 3    804040 3      C-13-H3C(O)CH3
  297555.8571  0.0056 -5.7106 3   25.7820100  59516140412 3 9 4    11 210 4      C-13-H3C(O)CH3
  297556.5028  0.0045 -5.7106 3   25.7820100  59516140412 4 9 3    11 110 3      C-13-H3C(O)CH3
  297556.6519  0.2186 -6.7794 3 1714.8593644  595161404804239 4    804140 4      C-13-H3C(O)CH3
  297556.7250  0.2186 -6.7794 3 1714.8593644  595161404804239 3    804140 3      C-13-H3C(O)CH3
  297556.7662  0.0056 -5.7106 3   25.7820100  59516140412 4 9 4    11 110 4      C-13-H3C(O)CH3
  297578.2059  0.0503 -5.6242 3  913.0200856  5951614045350 3 0    5349 5 0      C-13-H3C(O)CH3
  297578.2059  0.0503 -5.6242 3  913.0200856  5951614045350 4 0    5349 4 0      C-13-H3C(O)CH3
  297583.1294  0.2296 -6.4783 3 1714.8535C88  595161404804139 1    804040 1      C-13-H3C(O)CH3
  297584.0651  0.2297 -6.4783 3 1714.8535C88  595161404804239 1    804140 1      C-13-H3C(O)CH3
  297587.7616  0.2241 -6.4784 3 1714.8567C88  595161404804139 2    804040 2      C-13-H3C(O)CH3
  297588.4601  0.0639 -5.9340 3 1082.1187476  5951614045951 8 3    5950 9 3      C-13-H3C(O)CH3
  297588.5581  0.2240 -6.4784 3 1714.8567C88  595161404804239 2    804140 2      C-13-H3C(O)CH3
  297591.3899  0.2427 -6.7237 3 1634.1519604  595161404755520 3    755421 3      C-13-H3C(O)CH3
  297601.7949  0.1997 -6.7235 3 1634.0982604  595161404755521 4    755422 4      C-13-H3C(O)CH3
  297605.0453  0.1035 -5.9982 3 1374.2485A96  595161404685316 1    685217 1      C-13-H3C(O)CH3
  297615.0054  0.2312 -6.4782 3 1714.8509C88  595161404804139 0    804040 0      C-13-H3C(O)CH3
  297615.8273  0.2313 -6.4782 3 1714.8509C88  595161404804239 0    804140 0      C-13-H3C(O)CH3
  297622.6725  0.0056 -6.0957 3  138.7605376  595161404231311 0    231014 0      C-13-H3C(O)CH3
  297636.2858  0.0638 -5.6240 3  913.0295856  5951614045350 4 2    5349 5 2      C-13-H3C(O)CH3
  297639.9354  0.2666 -6.7237 3 1634.1950604  595161404755520 4    755421 4      C-13-H3C(O)CH3
  297646.8018  0.0036 -4.0176 3  114.5745344 -595161404211110 2    2012 9 2      C-13-H3C(O)CH3
  297650.3363  0.2333 -6.7236 3 1634.1411604  595161404755521 3    755422 3      C-13-H3C(O)CH3
  297655.6293  0.0039 -4.3165 3  114.5903172 -595161404211110 3    2012 9 3      C-13-H3C(O)CH3
  297660.5261  0.0102 -5.3924 3  240.0622236  5951614042921 8 3    2822 6 3      C-13-H3C(O)CH3
  297663.3047  0.0124 -5.0150 3  186.3196424  5951614042617 9 2    2518 8 2      C-13-H3C(O)CH3
  297669.0902  0.0559 -5.6328 3 1082.0821952  5951614045951 9 2    595010 2      C-13-H3C(O)CH3
  297669.2246  0.0526 -5.6327 3 1082.0839952  5951614045951 8 0    595010 0      C-13-H3C(O)CH3
  297669.2246  0.0526 -5.6327 3 1082.0839952  5951614045951 9 0    5950 9 0      C-13-H3C(O)CH3
  297676.1384  0.0663 -5.9338 3 1082.1080476  5951614045951 9 3    595010 3      C-13-H3C(O)CH3
  297676.7704  0.0579 -5.6328 3 1082.1099952  5951614045951 8 1    5950 9 1      C-13-H3C(O)CH3
  297680.0959  0.0112 -5.3842 3  240.0329236  5951614042921 9 4    2822 7 4      C-13-H3C(O)CH3
  297688.7971  0.0040 -4.3164 3  114.5896172 -595161404211110 4    2012 9 4      C-13-H3C(O)CH3
  297712.3132  0.0031 -4.0182 3  114.5622344 -595161404211110 0    2012 9 0      C-13-H3C(O)CH3
  297721.4956  0.0061 -4.4078 3   56.2233248 -59516140415 9 6 2    14 8 7 2      C-13-H3C(O)CH3
  297724.0767  0.0537 -5.6241 3  913.0645856  5951614045350 3 1    5349 4 1      C-13-H3C(O)CH3
  297724.1198  0.0525 -5.6328 3 1082.0947952  5951614045951 9 1    595010 1      C-13-H3C(O)CH3
  297724.1265  0.0693 -5.9338 3 1082.0929476  5951614045951 9 4    595010 4      C-13-H3C(O)CH3
  297736.6089  0.0035 -4.0160 3  114.5776344 -595161404211110 1    2012 9 1      C-13-H3C(O)CH3
  297740.3522  0.0976 -5.9980 3 1374.2682A96  595161404685316 0    685217 0      C-13-H3C(O)CH3
  297740.3522  0.0976 -5.9980 3 1374.2682A96  595161404685315 0    685216 0      C-13-H3C(O)CH3
  297775.4115  0.2626 -6.4223 3 1634.1729C08  595161404755520 1    755421 1      C-13-H3C(O)CH3
  297776.3669  0.0059 -4.7116 3   56.2651124  59516140415 9 6 3    14 8 7 3      C-13-H3C(O)CH3
  297782.9591  0.0759 -5.9250 3  913.0739428  5951614045350 4 3    5349 5 3      C-13-H3C(O)CH3
  297785.0000  0.0593 -5.6238 3  913.0507856  5951614045350 4 1    5349 5 1      C-13-H3C(O)CH3
  297786.0352  0.2208 -6.4222 3 1634.1191C08  595161404755521 1    755422 1      C-13-H3C(O)CH3
  297786.2365  0.0062 -4.4058 3   56.1837248 -59516140415 9 6 0    14 8 7 0      C-13-H3C(O)CH3
  297802.8576  0.0166 -5.5409 3  306.7567520  5951614043226 7 0    3127 4 0      C-13-H3C(O)CH3
  297802.8821  0.0166 -5.5409 3  306.7567520  5951614043226 6 0    3127 5 0      C-13-H3C(O)CH3
  297805.2618  0.0285 -6.4960 3  258.4017244  5951614043022 9 4    301911 4      C-13-H3C(O)CH3
  297815.0606  0.0253 -6.9188 3  240.0891472  5951614042921 8 2    2822 7 2      C-13-H3C(O)CH3
  297817.8267  0.0564 -5.6239 3  913.0458856  5951614045350 3 2    5349 4 2      C-13-H3C(O)CH3
  297834.9606  0.0085 -4.7128 3   56.2647124  59516140415 9 6 4    14 8 7 4      C-13-H3C(O)CH3
  297843.1739  0.0887 -5.9247 3  913.0600428  5951614045350 4 4    5349 5 4      C-13-H3C(O)CH3
  297843.3444  0.0154 -5.2026 3  186.3079212  5951614042617 9 3    2518 8 3      C-13-H3C(O)CH3
  297852.1808  0.2216 -6.4221 3 1634.1242C08  595161404755521 2    755422 2      C-13-H3C(O)CH3
  297864.5098  0.0058 -5.4080 3   25.7141200  59516140412 3 9 2    11 210 2      C-13-H3C(O)CH3
  297865.4709  0.0058 -5.4080 3   25.7141200  59516140412 4 9 2    11 110 2      C-13-H3C(O)CH3
  297868.2632  0.0062 -4.4092 3   56.2251248 -59516140415 9 6 1    14 8 7 1      C-13-H3C(O)CH3
  297870.4383  0.0056 -5.4083 3   25.7146200  59516140412 3 9 1    11 210 1      C-13-H3C(O)CH3
  297871.3718  0.0056 -5.4083 3   25.7146200  59516140412 4 9 1    11 110 1      C-13-H3C(O)CH3
  297900.5811  0.2536 -6.4221 3 1634.1673C08  595161404755520 2    755421 2      C-13-H3C(O)CH3
  297945.7104  0.0164 -5.7453 3  908.7330968  595161404602436 0    602337 0      C-13-H3C(O)CH3
  297945.7104  0.0164 -5.1226 3  908.7330968  595161404602536 0    602337 0      C-13-H3C(O)CH3
  297945.7104  0.0164 -5.1231 3  908.7330968  595161404602436 0    602437 0      C-13-H3C(O)CH3
  297945.7104  0.0164 -5.7474 3  908.7330968  595161404602536 0    602437 0      C-13-H3C(O)CH3
  297961.8758  0.0164 -5.5411 3  306.7050520  5951614043226 7 1    3127 4 1      C-13-H3C(O)CH3
  297965.4747  0.0708 -5.9248 3  913.0902428  5951614045350 3 4    5349 4 4      C-13-H3C(O)CH3
  297989.7312  0.0055 -4.4851 3  526.7307776  595161404481435 0    481236 0      C-13-H3C(O)CH3
  297989.7312  0.0055 -4.4851 3  526.7307776  595161404481335 0    481336 0      C-13-H3C(O)CH3
  297989.8224  0.0187 -6.9097 3  908.7379968  595161404602536 1    602337 1      C-13-H3C(O)CH3
  297989.8224  0.0187 -6.9115 3  908.7379968  595161404602436 1    602437 1      C-13-H3C(O)CH3
  297989.8224  0.0187 -5.0357 3  908.7379968  595161404602436 1    602337 1      C-13-H3C(O)CH3
  297989.8224  0.0187 -5.0357 3  908.7379968  595161404602536 1    602437 1      C-13-H3C(O)CH3
  297993.0827  0.0232 -5.0300 3  908.7382968  595161404602436 2    602337 2      C-13-H3C(O)CH3
  297993.0827  0.0232 -5.0300 3  908.7382968  595161404602536 2    602437 2      C-13-H3C(O)CH3
  298012.5178  0.0072 -4.6063 3  526.7009776  595161404481335 2    481336 2      C-13-H3C(O)CH3
  298012.5178  0.0072 -5.0970 3  526.7009776  595161404481435 2    481336 2      C-13-H3C(O)CH3
  298012.5660  0.0072 -5.0970 3  526.7009776 -595161404481335 2    481236 2      C-13-H3C(O)CH3
  298012.5660  0.0072 -4.6063 3  526.7009776 -595161404481435 2    481236 2      C-13-H3C(O)CH3
  298013.7769  0.0073 -4.4880 3  526.7015776 -595161404481435 1    481236 1      C-13-H3C(O)CH3
  298013.7769  0.0073 -6.6075 3  526.7015776 -595161404481335 1    481236 1      C-13-H3C(O)CH3
  298013.9113  0.0073 -4.4880 3  526.7015776  595161404481335 1    481336 1      C-13-H3C(O)CH3
  298013.9113  0.0073 -6.6075 3  526.7015776  595161404481435 1    481336 1      C-13-H3C(O)CH3
  298016.5587  0.0162 -5.3236 3   68.9068132  5951614041612 4 4    1511 5 4      C-13-H3C(O)CH3
  298025.8431  0.0769 -5.9246 3  913.0764428  5951614045350 3 3    5349 4 3      C-13-H3C(O)CH3
  298035.2850  0.0182 -6.2043 3  258.4220488  5951614043022 9 1    301911 1      C-13-H3C(O)CH3
  298036.2228  0.2695 -6.4217 3 1634.1453C08  595161404755520 0    755421 0      C-13-H3C(O)CH3
  298036.2272  0.2695 -6.4217 3 1634.1453C08  595161404755521 0    755422 0      C-13-H3C(O)CH3
  298036.6472  0.0077 -4.7857 3  526.6716388  595161404481435 4    481336 4      C-13-H3C(O)CH3
  298036.6472  0.0077 -4.7857 3  526.6716388  595161404481335 4    481236 4      C-13-H3C(O)CH3
  298036.7391  0.0077 -4.8482 3  526.6716388  595161404481335 3    481236 3      C-13-H3C(O)CH3
  298036.7391  0.0077 -5.6579 3  526.6716388  595161404481335 3    481336 3      C-13-H3C(O)CH3
  298036.7391  0.0077 -4.8482 3  526.6716388  595161404481435 3    481336 3      C-13-H3C(O)CH3
  298036.7391  0.0077 -5.6579 3  526.6716388  595161404481435 3    481236 3      C-13-H3C(O)CH3
  298037.2752  0.0224 -5.3487 3  908.7432484  595161404602536 3    602437 3      C-13-H3C(O)CH3
  298037.2752  0.0224 -5.3487 3  908.7432484  595161404602436 3    602337 3      C-13-H3C(O)CH3
  298037.2752  0.0224 -6.7246 3  908.7432484  595161404602436 3    602437 3      C-13-H3C(O)CH3
  298037.2752  0.0224 -6.7238 3  908.7432484  595161404602536 3    602337 3      C-13-H3C(O)CH3
  298037.4042  0.0225 -5.3308 3  908.7432484  595161404602436 4    602337 4      C-13-H3C(O)CH3
  298037.4042  0.0225 -5.3331 3  908.7432484  595161404602536 4    602437 4      C-13-H3C(O)CH3
  298071.1496  0.0593 -5.8420 3 1206.1232548  595161404683137 3    683038 3      C-13-H3C(O)CH3
  298071.1501  0.0593 -5.8420 3 1206.1232548  595161404683237 3    683138 3      C-13-H3C(O)CH3
  298071.1743  0.0594 -5.8420 3 1206.1232548  595161404683137 4    683038 4      C-13-H3C(O)CH3
  298071.1748  0.0594 -5.8420 3 1206.1232548  595161404683237 4    683138 4      C-13-H3C(O)CH3
  298077.0270  0.0549 -5.5410 3 1206.1037A96  595161404683137 1    683038 1      C-13-H3C(O)CH3
  298077.0275  0.0549 -5.5410 3 1206.1037A96  595161404683237 1    683138 1      C-13-H3C(O)CH3
  298081.9076  0.0586 -5.5410 3 1206.1057A96  595161404683137 2    683038 2      C-13-H3C(O)CH3
  298081.9080  0.0586 -5.5410 3 1206.1057A96  595161404683237 2    683138 2      C-13-H3C(O)CH3
  298087.8141  0.0544 -5.5409 3 1206.0862A96  595161404683137 0    683038 0      C-13-H3C(O)CH3
  298087.8145  0.0544 -5.5409 3 1206.0862A96  595161404683237 0    683138 0      C-13-H3C(O)CH3
  298107.7827  0.0020 -3.9500 3  143.6445220  59516140427 523 3    26 522 3      C-13-H3C(O)CH3
  298107.7827  0.0020 -3.8472 3  143.6445220  59516140427 423 3    26 522 3      C-13-H3C(O)CH3
  298107.8009  0.0020 -3.8158 3  143.6445220 -59516140427 523 4    26 522 4      C-13-H3C(O)CH3
  298107.8009  0.0020 -4.3867 3  143.6445220 -59516140427 523 3    26 422 3      C-13-H3C(O)CH3
  298107.8009  0.0020 -4.9545 3  143.6445220 -59516140427 423 3    26 422 3      C-13-H3C(O)CH3
  298107.8009  0.0020 -3.8158 3  143.6445220 -59516140427 423 4    26 422 4      C-13-H3C(O)CH3
  298107.8014  0.0020 -6.3776 3  143.6445220  59516140427 523 4    26 422 4      C-13-H3C(O)CH3
  298107.8014  0.0020 -6.3776 3  143.6445220  59516140427 423 4    26 522 4      C-13-H3C(O)CH3
  298110.7234  0.0159 -5.5391 3  306.7187520  5951614043226 6 2    3127 4 2      C-13-H3C(O)CH3
  298121.8206  0.0263 -6.5392 3  258.4023244  5951614043022 9 3    301911 3      C-13-H3C(O)CH3
  298123.5178  0.2662 -6.9332 3 1754.4994628  595161404785623 4    785524 4      C-13-H3C(O)CH3
  298125.5385  0.0122 -6.4988 3   31.1480184  5951614041110 2 1    10 7 3 1      C-13-H3C(O)CH3
  298144.5087  0.3215 -6.9333 3 1754.5503628  595161404785622 3    785523 3      C-13-H3C(O)CH3
  298156.9822  0.0022 -3.5341 3  143.6176440 -59516140427 423 1    26 422 1      C-13-H3C(O)CH3
  298156.9822  0.0022 -4.8460 3  143.6176440 -59516140427 523 1    26 422 1      C-13-H3C(O)CH3
  298157.0364  0.0022 -4.8460 3  143.6176440  59516140427 423 1    26 522 1      C-13-H3C(O)CH3
  298157.0364  0.0022 -3.5341 3  143.6176440  59516140427 523 1    26 522 1      C-13-H3C(O)CH3
  298157.3996  0.0022 -5.8605 3  143.6170440 -59516140427 523 2    26 422 2      C-13-H3C(O)CH3
  298157.3996  0.0022 -3.5154 3  143.6170440 -59516140427 423 2    26 422 2      C-13-H3C(O)CH3
  298157.4207  0.0022 -5.8605 3  143.6170440  59516140427 423 2    26 522 2      C-13-H3C(O)CH3
  298157.4207  0.0022 -3.5154 3  143.6170440  59516140427 523 2    26 522 2      C-13-H3C(O)CH3
  298161.7531  0.0168 -5.5397 3  306.6998520  5951614043226 6 1    3127 5 1      C-13-H3C(O)CH3
  298164.8289  0.2906 -6.9332 3 1754.5356628  595161404785623 3    785524 3      C-13-H3C(O)CH3
  298178.6930  0.0059 -5.4067 3   25.6469200  59516140412 3 9 0    11 210 0      C-13-H3C(O)CH3
  298179.6717  0.0059 -5.4067 3   25.6469200  59516140412 4 9 0    11 110 0      C-13-H3C(O)CH3
  298184.7004  0.0167 -5.5398 3  306.7111520  5951614043226 7 2    3127 5 2      C-13-H3C(O)CH3
  298185.9948  0.3347 -6.9333 3 1754.5865628  595161404785622 4    785523 4      C-13-H3C(O)CH3
  298205.8498  0.4528 -6.8558 3 1879.5230D04  595161404815725 1    815626 1      C-13-H3C(O)CH3
  298206.5525  0.0019 -3.9096 3  143.5902440  59516140427 523 0    26 422 0      C-13-H3C(O)CH3
  298206.5525  0.0019 -3.9096 3  143.5902440  59516140427 423 0    26 522 0      C-13-H3C(O)CH3
  298206.5877  0.0019 -3.7362 3  143.5902440 -59516140427 423 0    26 422 0      C-13-H3C(O)CH3
  298206.5877  0.0019 -3.7362 3  143.5902440 -59516140427 523 0    26 522 0      C-13-H3C(O)CH3
  298215.9771  0.0125 -5.0627 3  186.3066424  5951614042617 9 1    2518 8 1      C-13-H3C(O)CH3
  298262.4066  0.5218 -6.8558 3 1879.5681D04  595161404815724 1    815625 1      C-13-H3C(O)CH3
  298266.3706  0.0176 -5.8404 3  306.6670260  5951614043226 6 3    3127 4 3      C-13-H3C(O)CH3
  298273.8141  0.3148 -6.6319 3 1754.5229C56  595161404785623 1    785524 1      C-13-H3C(O)CH3
  298294.5566  0.3747 -6.6320 3 1754.5738C56  595161404785622 1    785523 1      C-13-H3C(O)CH3
  298340.6582  0.0185 -5.8411 3  306.6594260  5951614043226 7 4    3127 5 4      C-13-H3C(O)CH3
  298351.6142  0.0210 -6.3531 3  240.0105236  5951614042921 9 4    291812 4      C-13-H3C(O)CH3
  298393.6664  0.4478 -6.8554 3 1879.5195D04  595161404815725 2    815626 2      C-13-H3C(O)CH3
  298401.2857  0.3155 -6.6317 3 1754.5248C56  595161404785623 2    785524 2      C-13-H3C(O)CH3
  298414.4077  0.4704 -6.8555 3 1879.5478D04  595161404815724 2    815625 2      C-13-H3C(O)CH3
  298442.5166  0.3451 -6.6317 3 1754.5610C56  595161404785622 2    785523 2      C-13-H3C(O)CH3
  298446.5810  0.0135 -6.4874 3   31.1461184  5951614041110 2 2    10 7 3 2      C-13-H3C(O)CH3
  298466.8443  0.0198 -5.8390 3  306.6617260  5951614043226 6 4    3127 4 4      C-13-H3C(O)CH3
  298468.3157  0.0253 -6.3942 3  258.4023244  5951614043022 8 3    301911 3      C-13-H3C(O)CH3
  298494.6885  0.0154 -6.6855 3   71.1214264  5951614041613 4 1    1512 3 1      C-13-H3C(O)CH3
  298499.9474  0.5634 -6.8553 3 1879.5455D04  595161404815724 0    815625 0      C-13-H3C(O)CH3
  298500.1910  0.5634 -6.8553 3 1879.5455D04  595161404815725 0    815626 0      C-13-H3C(O)CH3
  298536.6635  0.0560 -5.6924 3  888.2095840  5951614045250 2 0    5249 3 0      C-13-H3C(O)CH3
  298536.6635  0.0560 -5.6924 3  888.2095840  5951614045250 3 0    5249 4 0      C-13-H3C(O)CH3
  298539.8984  0.0171 -5.8398 3  306.6542260  5951614043226 7 3    3127 5 3      C-13-H3C(O)CH3
  298551.4342  0.3953 -6.6314 3 1754.5484C56  595161404785622 0    785523 0      C-13-H3C(O)CH3
  298551.4689  0.3953 -6.6314 3 1754.5484C56  595161404785623 0    785524 0      C-13-H3C(O)CH3
  298562.8263  0.0054 -5.6856 3  497.8375760 -595161404471335 0    471236 0      C-13-H3C(O)CH3
  298562.8263  0.0054 -5.6856 3  497.8375760 -595161404471235 0    471136 0      C-13-H3C(O)CH3
  298562.9151  0.0054 -4.4818 3  497.8375760  595161404471335 0    471136 0      C-13-H3C(O)CH3
  298562.9151  0.0054 -4.4818 3  497.8375760  595161404471235 0    471236 0      C-13-H3C(O)CH3
  298566.2988  0.0070 -5.1348 3  497.8075760  595161404471335 2    471136 2      C-13-H3C(O)CH3
  298566.2988  0.0070 -4.5573 3  497.8075760  595161404471335 2    471236 2      C-13-H3C(O)CH3
  298566.2988  0.0070 -4.5573 3  497.8075760  595161404471235 2    471136 2      C-13-H3C(O)CH3
  298566.2988  0.0070 -5.1348 3  497.8075760  595161404471235 2    471236 2      C-13-H3C(O)CH3
  298567.8895  0.0072 -5.0391 3  497.8081760  595161404471335 1    471136 1      C-13-H3C(O)CH3
  298567.8895  0.0072 -4.5866 3  497.8081760  595161404471335 1    471236 1      C-13-H3C(O)CH3
  298567.8895  0.0072 -4.5866 3  497.8081760  595161404471235 1    471136 1      C-13-H3C(O)CH3
  298567.8895  0.0072 -5.0391 3  497.8081760  595161404471235 1    471236 1      C-13-H3C(O)CH3
  298571.1421  0.0073 -4.7699 3  497.7780380  595161404471335 4    471136 4      C-13-H3C(O)CH3
  298571.1421  0.0073 -4.7699 3  497.7780380  595161404471235 4    471236 4      C-13-H3C(O)CH3
  298571.1421  0.0073 -6.2696 3  497.7780380  595161404471335 4    471236 4      C-13-H3C(O)CH3
  298571.2879  0.0073 -4.9000 3  497.7780380  595161404471235 3    471136 3      C-13-H3C(O)CH3
  298571.2879  0.0073 -4.9000 3  497.7780380  595161404471335 3    471236 3      C-13-H3C(O)CH3
  298571.3138  0.0073 -6.2696 3  497.7780380 -595161404471235 4    471136 4      C-13-H3C(O)CH3
  298571.3138  0.0073 -5.3068 3  497.7780380 -595161404471235 3    471236 3      C-13-H3C(O)CH3
  298571.3138  0.0073 -5.3068 3  497.7780380 -595161404471335 3    471136 3      C-13-H3C(O)CH3
  298652.7111  0.0729 -5.6921 3  888.2173840  5951614045250 3 2    5249 4 2      C-13-H3C(O)CH3
  298676.5681  0.0133 -6.0364 3  240.0286472  5951614042921 9 1    291812 1      C-13-H3C(O)CH3
  298689.2345  0.0608 -5.6924 3  888.2611840  5951614045250 2 1    5249 3 1      C-13-H3C(O)CH3
  298709.0193  0.0134 -6.6769 3   31.1985 92  5951614041110 2 3    10 7 3 3      C-13-H3C(O)CH3
  298712.4491  0.0176 -6.1174 3  258.4220488  5951614043022 8 1    301911 1      C-13-H3C(O)CH3
  298774.9549  0.0150 -6.6002 3   71.1229264  5951614041613 4 2    1512 3 2      C-13-H3C(O)CH3
  298782.4116  0.1156 -6.2836 3 1450.4177596  595161404743638 4    743539 4      C-13-H3C(O)CH3
  298782.4374  0.1156 -6.2836 3 1450.4177596  595161404743738 4    743639 4      C-13-H3C(O)CH3
  298782.4542  0.1156 -6.2836 3 1450.4176596  595161404743638 3    743539 3      C-13-H3C(O)CH3
  298782.4801  0.1156 -6.2836 3 1450.4176596  595161404743738 3    743639 3      C-13-H3C(O)CH3
  298783.2501  0.0670 -5.6920 3  888.2430840  5951614045250 3 1    5249 4 1      C-13-H3C(O)CH3
  298801.3283  0.0183 -6.2881 3  240.0107236  5951614042921 9 3    291812 3      C-13-H3C(O)CH3
  298806.4129  0.0864 -5.9931 3  888.2688420  5951614045250 3 3    5249 4 3      C-13-H3C(O)CH3
  298810.9252  0.1203 -5.9825 3 1450.4013B92  595161404743638 1    743539 1      C-13-H3C(O)CH3
  298810.9510  0.1203 -5.9825 3 1450.4013B92  595161404743738 1    743639 1      C-13-H3C(O)CH3
  298815.2652  0.1181 -5.9825 3 1450.4043B92  595161404743638 2    743539 2      C-13-H3C(O)CH3
  298815.2862  0.1181 -5.9825 3 1450.4043B92  595161404743738 2    743639 2      C-13-H3C(O)CH3
  298818.9091  0.0258 -6.4276 3  258.4017244  5951614043022 8 4    301911 4      C-13-H3C(O)CH3
  298828.5831  0.0659 -5.6921 3  888.2432840  5951614045250 2 2    5249 3 2      C-13-H3C(O)CH3
  298840.0768  0.0200 -6.2256 3  258.4121488  5951614043022 9 2    301911 2      C-13-H3C(O)CH3
  298843.7140  0.1212 -5.9823 3 1450.3880B92  595161404743638 0    743539 0      C-13-H3C(O)CH3
  298843.7350  0.1212 -5.9823 3 1450.3880B92  595161404743738 0    743639 0      C-13-H3C(O)CH3
  298870.6107  0.1000 -6.0711 3 1208.0738508  595161404635211 4    635112 4      C-13-H3C(O)CH3
  298885.1894  0.0203 -5.4313 3  186.2754212  5951614042617 9 4    2518 8 4      C-13-H3C(O)CH3
  298891.9927  0.0118 -6.7092 3   31.1985 92  5951614041110 1 3    10 7 3 3      C-13-H3C(O)CH3
  298899.9686  0.1012 -5.9928 3  888.2506420  5951614045250 3 4    5249 4 4      C-13-H3C(O)CH3
  298902.0765  0.0593 -5.6208 3 1054.3258936  5951614045851 7 2    5850 8 2      C-13-H3C(O)CH3
  298948.2143  0.0741 -5.9218 3 1054.3520468  5951614045851 7 4    5850 8 4      C-13-H3C(O)CH3
  298950.0360  0.0881 -6.0709 3 1208.0417508  595161404635211 3    635112 3      C-13-H3C(O)CH3
  298951.8687  0.0145 -5.0579 3  872.8745952  595161404592336 0    592337 0      C-13-H3C(O)CH3
  298951.8687  0.0145 -5.7076 3  872.8745952  595161404592336 0    592237 0      C-13-H3C(O)CH3
  298951.8687  0.0145 -5.0544 3  872.8745952  595161404592436 0    592237 0      C-13-H3C(O)CH3
  298951.8687  0.0145 -5.7235 3  872.8745952  595161404592436 0    592337 0      C-13-H3C(O)CH3
  298953.1018  0.0830 -6.0709 3 1208.0316508  595161404635212 3    635113 3      C-13-H3C(O)CH3
  298970.9318  0.0815 -5.7698 3 1208.0481A16  595161404635211 2    635112 2      C-13-H3C(O)CH3
  298979.5338  0.0630 -5.9218 3 1054.3419468  5951614045851 7 3    5850 8 3      C-13-H3C(O)CH3
  298983.2950  0.0799 -5.9930 3  888.2948420  5951614045250 2 4    5249 3 4      C-13-H3C(O)CH3
  298988.7782  0.0250 -6.7318 3  731.9921856  595161404532429 1    522726 1      C-13-H3C(O)CH3
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  299003.2029  0.0168 -4.9707 3  872.8762952  595161404592336 1    592237 1      C-13-H3C(O)CH3
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  299006.0599  0.0207 -4.9710 3  872.8764952  595161404592436 2    592237 2      C-13-H3C(O)CH3
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  299007.3922  0.0536 -5.6206 3 1054.3049936  5951614045851 8 0    5850 9 0      C-13-H3C(O)CH3
  299011.4120  0.0291 -6.7307 3  731.9909856  595161404532529 2    522626 2      C-13-H3C(O)CH3
  299032.3150  0.0884 -6.0707 3 1207.9996508  595161404635212 4    635113 4      C-13-H3C(O)CH3
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  299053.9633  0.0550 -5.6206 3 1054.3065936  5951614045851 8 2    5850 9 2      C-13-H3C(O)CH3
  299054.4509  0.0571 -5.6206 3 1054.3313936  5951614045851 7 1    5850 8 1      C-13-H3C(O)CH3
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  299057.4800  0.0197 -5.2933 3  872.8781476  595161404592436 3    592337 3      C-13-H3C(O)CH3
  299057.4800  0.0197 -5.2924 3  872.8781476  595161404592336 3    592237 3      C-13-H3C(O)CH3
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  299057.6171  0.0198 -5.3678 3  872.8781476  595161404592336 4    592337 4      C-13-H3C(O)CH3
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  299070.0365  0.0071 -4.7396 3  469.4710372  595161404461235 4    461036 4      C-13-H3C(O)CH3
  299070.2368  0.0070 -4.9989 3  469.4710372  595161404461135 3    461136 3      C-13-H3C(O)CH3
  299070.2368  0.0070 -4.9989 3  469.4710372  595161404461235 3    461036 3      C-13-H3C(O)CH3
  299070.2368  0.0070 -5.0685 3  469.4710372  595161404461235 3    461136 3      C-13-H3C(O)CH3
  299070.2368  0.0070 -5.0685 3  469.4710372  595161404461135 3    461036 3      C-13-H3C(O)CH3
  299070.9433  0.0038 -3.8404 3   69.1811124  5951614041515 1 3    1414 0 3      C-13-H3C(O)CH3
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  299084.9025  0.0517 -5.6206 3 1054.3212936  5951614045851 8 1    5850 9 1      C-13-H3C(O)CH3
  299088.7835  0.0069 -4.6328 3  469.4996744  595161404461235 2    461136 2      C-13-H3C(O)CH3
  299088.7835  0.0069 -4.8588 3  469.4996744  595161404461135 2    461136 2      C-13-H3C(O)CH3
  299088.7835  0.0069 -4.8588 3  469.4996744  595161404461235 2    461036 2      C-13-H3C(O)CH3
  299088.7835  0.0069 -4.6328 3  469.4996744  595161404461135 2    461036 2      C-13-H3C(O)CH3
  299090.5126  0.0071 -4.5634 3  469.5002744  595161404461135 1    461036 1      C-13-H3C(O)CH3
  299090.5126  0.0071 -4.5634 3  469.5002744  595161404461235 1    461136 1      C-13-H3C(O)CH3
  299090.5126  0.0071 -5.0085 3  469.5002744  595161404461235 1    461036 1      C-13-H3C(O)CH3
  299090.5126  0.0071 -5.0085 3  469.5002744  595161404461135 1    461136 1      C-13-H3C(O)CH3
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  299100.7398  0.0656 -5.9216 3 1054.3327468  5951614045851 8 3    5850 9 3      C-13-H3C(O)CH3
  299108.9860  0.0055 -4.4703 3  469.5288744 -595161404461235 0    461136 0      C-13-H3C(O)CH3
  299108.9860  0.0055 -4.4703 3  469.5288744 -595161404461135 0    461036 0      C-13-H3C(O)CH3
  299109.0396  0.0055 -5.4850 3  469.5288744  595161404461235 0    461036 0      C-13-H3C(O)CH3
  299109.0396  0.0055 -5.4850 3  469.5288744  595161404461135 0    461136 0      C-13-H3C(O)CH3
  299112.5196  0.1396 -6.4729 3 1483.9578572  595161404715418 4    715319 4      C-13-H3C(O)CH3
  299117.5540  0.0040 -3.8402 3   69.1800124  5951614041515 0 3    1414 1 3      C-13-H3C(O)CH3
  299131.8875  0.0674 -5.9216 3 1054.3226468  5951614045851 8 4    5850 9 4      C-13-H3C(O)CH3
  299132.0754  0.0040 -3.8401 3   69.0957124  5951614041515 1 4    1414 1 4      C-13-H3C(O)CH3
  299134.8030  0.1746 -6.4730 3 1484.0074572  595161404715418 3    715319 3      C-13-H3C(O)CH3
  299138.4663  0.0683 -5.7695 3 1208.0112A16  595161404635212 1    635113 1      C-13-H3C(O)CH3
  299159.0541  0.0598 -5.7694 3 1208.0175A16  595161404635211 0    635113 0      C-13-H3C(O)CH3
  299159.0541  0.0598 -5.7694 3 1208.0175A16  595161404635212 0    635112 0      C-13-H3C(O)CH3
  299175.6250  0.0194 -6.1041 3  258.4121488  5951614043022 8 2    301911 2      C-13-H3C(O)CH3
  299186.1632  0.0021 -5.1353 3  146.9333228  59516140428 325 3    27 324 3      C-13-H3C(O)CH3
  299186.1632  0.0021 -3.8460 3  146.9333228  59516140428 425 3    27 424 3      C-13-H3C(O)CH3
  299186.1697  0.0021 -3.7958 3  146.9333228 -59516140428 425 3    27 324 3      C-13-H3C(O)CH3
  299186.1697  0.0021 -4.6054 3  146.9333228 -59516140428 325 3    27 424 3      C-13-H3C(O)CH3
  299186.1697  0.0021 -6.6330 3  146.9333228 -59516140428 425 4    27 424 4      C-13-H3C(O)CH3
  299186.1697  0.0021 -3.7770 3  146.9333228 -59516140428 325 4    27 424 4      C-13-H3C(O)CH3
  299186.1884  0.0021 -6.6330 3  146.9333228  59516140428 325 4    27 324 4      C-13-H3C(O)CH3
  299186.1884  0.0021 -3.7770 3  146.9333228  59516140428 425 4    27 324 4      C-13-H3C(O)CH3
  299204.4144  0.0181 -6.5576 3  240.0107236  5951614042921 8 3    291812 3      C-13-H3C(O)CH3
  299227.4744  0.0023 -5.5273 3  146.8994456  59516140428 425 1    27 324 1      C-13-H3C(O)CH3
  299227.4744  0.0023 -5.5273 3  146.8994456  59516140428 325 1    27 424 1      C-13-H3C(O)CH3
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  299227.6137  0.0023 -3.4790 3  146.8994456 -59516140428 425 1    27 424 1      C-13-H3C(O)CH3
  299227.6137  0.0023 -3.4790 3  146.8994456 -59516140428 325 1    27 324 1      C-13-H3C(O)CH3
  299227.6137  0.0023 -3.5165 3  146.8988456 -59516140428 325 2    27 324 2      C-13-H3C(O)CH3
  299227.7072  0.0023 -4.5175 3  146.8988456  59516140428 325 2    27 424 2      C-13-H3C(O)CH3
  299227.7072  0.0023 -3.5165 3  146.8988456  59516140428 425 2    27 424 2      C-13-H3C(O)CH3
  299251.5130  0.1599 -6.1717 3 1484.0300B44  595161404715417 1    715318 1      C-13-H3C(O)CH3
  299268.9052  0.0020 -3.9893 3  146.8650456 -59516140428 425 0    27 424 0      C-13-H3C(O)CH3
  299268.9052  0.0020 -3.6337 3  146.8650456 -59516140428 325 0    27 424 0      C-13-H3C(O)CH3
  299268.9052  0.0020 -3.6337 3  146.8650456 -59516140428 425 0    27 324 0      C-13-H3C(O)CH3
  299268.9052  0.0020 -3.9893 3  146.8650456 -59516140428 325 0    27 324 0      C-13-H3C(O)CH3
  299269.5627  0.0150 -6.0071 3  240.0248472  5951614042921 9 2    291812 2      C-13-H3C(O)CH3
  299294.1828  0.1341 -6.1716 3 1483.9832B44  595161404715418 2    715319 2      C-13-H3C(O)CH3
  299305.0494  0.0033 -3.5387 3   69.2207248 -5951614041515 0 1    1414 0 1      C-13-H3C(O)CH3
  299312.3714  0.1400 -6.1715 3 1483.9774B44  595161404715418 1    715319 1      C-13-H3C(O)CH3
  299315.8568  0.0105 -6.0203 3  348.8599292  595161404361917 3    352214 3      C-13-H3C(O)CH3
  299316.2299  0.1707 -6.1716 3 1484.0329B44  595161404715417 2    715318 2      C-13-H3C(O)CH3
  299320.2388  0.0098 -6.0203 3  348.8598292  595161404361917 4    352214 4      C-13-H3C(O)CH3
  299352.2857  0.0034 -3.5386 3   69.2313248 -5951614041515 0 2    1414 0 2      C-13-H3C(O)CH3
  299365.4726  0.0037 -3.5384 3   69.1352248 -5951614041515 1 1    1414 1 1      C-13-H3C(O)CH3
  299366.1860  0.0037 -3.5384 3   69.1469248 -5951614041515 1 2    1414 1 2      C-13-H3C(O)CH3
  299374.5316  0.0107 -5.7174 3  348.8808584  595161404361917 2    352214 2      C-13-H3C(O)CH3
  299425.0828  0.1428 -6.2540 3 1342.0354540  595161404675314 4    675215 4      C-13-H3C(O)CH3
  299430.1097  0.0649 -5.8129 3  863.8948824  5951614045150 1 0    5149 2 0      C-13-H3C(O)CH3
  299430.1097  0.0649 -5.8129 3  863.8948824  5951614045150 2 0    5149 3 0      C-13-H3C(O)CH3
  299450.7912  0.1093 -6.2539 3 1341.9854540  595161404675315 3    675216 3      C-13-H3C(O)CH3
  299487.4962  0.0101 -5.7184 3  348.8833584  595161404361917 1    352214 1      C-13-H3C(O)CH3
  299493.6911  0.1486 -6.1712 3 1484.0029B44  595161404715418 0    715319 0      C-13-H3C(O)CH3
  299493.6911  0.1486 -6.1712 3 1484.0029B44  595161404715417 0    715318 0      C-13-H3C(O)CH3
  299509.5578  0.1258 -6.2538 3 1341.9903540  595161404675314 3    675215 3      C-13-H3C(O)CH3
  299526.7009  0.0470 -5.4667 3 1165.6730A80  595161404673037 1    672938 1      C-13-H3C(O)CH3
  299526.7011  0.0470 -5.4667 3 1165.6730A80  595161404673137 1    673038 1      C-13-H3C(O)CH3
  299527.4083  0.0522 -5.7676 3 1165.6919540  595161404673037 3    672938 3      C-13-H3C(O)CH3
  299527.4084  0.0522 -5.7676 3 1165.6919540  595161404673137 3    673038 3      C-13-H3C(O)CH3
  299527.4483  0.0522 -5.7676 3 1165.6919540  595161404673037 4    672938 4      C-13-H3C(O)CH3
  299527.4485  0.0522 -5.7676 3 1165.6919540  595161404673137 4    673038 4      C-13-H3C(O)CH3
  299529.5757  0.0129 -6.1745 3  240.0286472  5951614042921 8 1    291812 1      C-13-H3C(O)CH3
  299530.8560  0.0461 -5.4666 3 1165.6559A80  595161404673037 0    672938 0      C-13-H3C(O)CH3
  299530.8561  0.0461 -5.4666 3 1165.6559A80  595161404673137 0    673038 0      C-13-H3C(O)CH3
  299531.5255  0.0514 -5.4667 3 1165.6747A80  595161404673037 2    672938 2      C-13-H3C(O)CH3
  299531.5256  0.0514 -5.4667 3 1165.6747A80  595161404673137 2    673038 2      C-13-H3C(O)CH3
  299534.7707  0.0069 -5.2055 3  441.7517364  595161404451035 4    451036 4      C-13-H3C(O)CH3
  299534.7707  0.0069 -5.2055 3  441.7517364  595161404451135 4    45 936 4      C-13-H3C(O)CH3
  299534.7707  0.0069 -4.8786 3  441.7517364  595161404451135 4    451036 4      C-13-H3C(O)CH3
  299534.7707  0.0069 -4.8786 3  441.7517364  595161404451035 4    45 936 4      C-13-H3C(O)CH3
  299535.0088  0.1084 -6.2537 3 1341.9404540  595161404675315 4    675216 4      C-13-H3C(O)CH3
  299535.0222  0.0068 -6.3287 3  441.7517364  595161404451035 3    451036 3      C-13-H3C(O)CH3
  299535.0222  0.0068 -4.7216 3  441.7517364  595161404451135 3    451036 3      C-13-H3C(O)CH3
  299535.0222  0.0068 -4.7216 3  441.7517364  595161404451035 3    45 936 3      C-13-H3C(O)CH3
  299535.0222  0.0068 -6.3287 3  441.7517364  595161404451135 3    45 936 3      C-13-H3C(O)CH3
  299542.2474  0.0096 -5.7999 3  240.0427472  5951614042921 9 0    291812 0      C-13-H3C(O)CH3
  299547.2850  0.0101 -5.7165 3  348.9041584  595161404361917 0    352214 0      C-13-H3C(O)CH3
  299581.6950  0.0069 -5.0709 3  441.7782728 -595161404451035 2    45 936 2      C-13-H3C(O)CH3
  299581.6950  0.0069 -5.0709 3  441.7782728 -595161404451135 2    451036 2      C-13-H3C(O)CH3
  299581.7033  0.0069 -4.5167 3  441.7782728  595161404451135 2    45 936 2      C-13-H3C(O)CH3
  299581.7033  0.0069 -4.5167 3  441.7782728  595161404451035 2    451036 2      C-13-H3C(O)CH3
  299583.5104  0.0070 -4.9174 3  441.7789728  595161404451135 1    451036 1      C-13-H3C(O)CH3
  299583.5104  0.0070 -4.5715 3  441.7789728  595161404451135 1    45 936 1      C-13-H3C(O)CH3
  299583.5104  0.0070 -4.9174 3  441.7789728  595161404451035 1    45 936 1      C-13-H3C(O)CH3
  299583.5104  0.0070 -4.5715 3  441.7789728  595161404451035 1    451036 1      C-13-H3C(O)CH3
  299585.1612  0.0699 -5.8129 3  863.9535824  5951614045150 1 1    5149 2 1      C-13-H3C(O)CH3
  299595.4228  0.0129 -5.7265 3  262.1892504  595161404311813 2    311516 2      C-13-H3C(O)CH3
  299600.3039  0.0036 -3.5378 3   69.1864248 -5951614041515 0 0    1414 1 0      C-13-H3C(O)CH3
  299600.3039  0.0036 -3.5378 3   69.1864248 -5951614041515 1 0    1414 0 0      C-13-H3C(O)CH3
  299609.2737  0.0849 -5.8125 3  863.9017824  5951614045150 2 2    5149 3 2      C-13-H3C(O)CH3
  299611.4993  0.1176 -5.9526 3 1342.0091A80  595161404675314 2    675215 2      C-13-H3C(O)CH3
  299625.0903  0.1055 -5.9526 3 1342.0025A80  595161404675314 1    675215 1      C-13-H3C(O)CH3
  299630.0967  0.0057 -4.5695 3  441.8054728 -595161404451035 0    45 936 0      C-13-H3C(O)CH3
  299630.1279  0.0057 -4.9213 3  441.8054728  595161404451135 0    45 936 0      C-13-H3C(O)CH3
  299630.1279  0.0057 -4.9213 3  441.8054728  595161404451035 0    451036 0      C-13-H3C(O)CH3
  299630.1279  0.0057 -4.5695 3  441.8054728  595161404451135 0    451036 0      C-13-H3C(O)CH3
  299637.1888  0.0878 -5.9525 3 1341.9592A80  595161404675315 2    675216 2      C-13-H3C(O)CH3
  299638.0663  0.0173 -6.9676 3  145.4136180  5951614042219 3 3    2216 6 3      C-13-H3C(O)CH3
  299668.3396  0.0189 -6.4573 3  240.0105236  5951614042921 8 4    291812 4      C-13-H3C(O)CH3
  299685.6255  0.0109 -5.7261 3  262.2113504  595161404311813 0    311516 0      C-13-H3C(O)CH3
  299709.3113  0.0948 -5.9523 3 1341.9575A80  595161404675315 1    675216 1      C-13-H3C(O)CH3
  299715.1615  0.0774 -5.8124 3  863.9316824  5951614045150 2 1    5149 3 1      C-13-H3C(O)CH3
  299736.4528  0.3256 -6.8230 3 1898.8536D52  595161404844440 1    844341 1      C-13-H3C(O)CH3
  299740.7071  0.3260 -6.8230 3 1898.8536D52  595161404844540 1    844441 1      C-13-H3C(O)CH3
  299742.2612  0.0144 -6.2240 3  240.0248472  5951614042921 8 2    291812 2      C-13-H3C(O)CH3
  299742.6162  0.3238 -6.8231 3 1898.8561D52  595161404844440 2    844341 2      C-13-H3C(O)CH3
  299746.2870  0.3232 -6.8230 3 1898.8561D52  595161404844540 2    844441 2      C-13-H3C(O)CH3
  299758.7794  0.3272 -6.8229 3 1898.8580D52  595161404844440 0    844341 0      C-13-H3C(O)CH3
  299762.6269  0.3276 -6.8229 3 1898.8581D52  595161404844540 0    844441 0      C-13-H3C(O)CH3
  299765.7784  0.0984 -6.1135 3  863.9604412  5951614045150 2 3    5149 3 3      C-13-H3C(O)CH3
  299773.0581  0.0780 -5.8125 3  863.9375824  5951614045150 1 2    5149 2 2      C-13-H3C(O)CH3
  299795.4866  0.0175 -6.8838 3  145.3508180  5951614042219 4 4    2216 7 4      C-13-H3C(O)CH3
  299811.0345  0.0838 -5.9521 3 1341.9763A80  595161404675314 0    675215 0      C-13-H3C(O)CH3
  299811.0345  0.0838 -5.9521 3 1341.9763A80  595161404675315 0    675216 0      C-13-H3C(O)CH3
  299847.3196  0.0162 -6.0289 3  262.1714252  595161404311813 3    311516 3      C-13-H3C(O)CH3
  299855.8423  0.0163 -6.0289 3  262.1715252  595161404311813 4    311516 4      C-13-H3C(O)CH3
  299895.7094  0.1161 -6.1131 3  863.9384412  5951614045150 2 4    5149 3 4      C-13-H3C(O)CH3
  299903.3309  0.0131 -5.1572 3  837.5886936  595161404582336 0    582237 0      C-13-H3C(O)CH3
  299903.3309  0.0131 -5.2776 3  837.5886936  595161404582336 0    582137 0      C-13-H3C(O)CH3
  299903.3309  0.0131 -5.2134 3  837.5886936  595161404582236 0    582137 0      C-13-H3C(O)CH3
  299903.3309  0.0131 -5.2130 3  837.5886936  595161404582236 0    582237 0      C-13-H3C(O)CH3
  299922.4251  0.1938 -6.6858 3 1667.7012636  595161404794039 4    793940 4      C-13-H3C(O)CH3
  299922.4957  0.1938 -6.6858 3 1667.7011636  595161404794039 3    793940 3      C-13-H3C(O)CH3
  299922.7809  0.1938 -6.6858 3 1667.7012636  595161404794139 4    794040 4      C-13-H3C(O)CH3
  299922.8518  0.1938 -6.6858 3 1667.7011636  595161404794139 3    794040 3      C-13-H3C(O)CH3
  299930.5915  0.0904 -6.1134 3  863.9962412  5951614045150 1 4    5149 2 4      C-13-H3C(O)CH3
  299937.1835  0.0132 -5.7275 3  262.1936504  595161404311813 1    311516 1      C-13-H3C(O)CH3
  299946.2438  0.0152 -5.3514 3  202.2450220  5951614042718 9 4    2619 7 4      C-13-H3C(O)CH3
  299951.9862  0.2055 -6.3846 3 1667.6932C72  595161404794039 1    793940 1      C-13-H3C(O)CH3
  299952.3527  0.2056 -6.3846 3 1667.6932C72  595161404794139 1    794040 1      C-13-H3C(O)CH3
  299955.9007  0.1994 -6.3847 3 1667.6964C72  595161404794039 2    793940 2      C-13-H3C(O)CH3
  299956.2078  0.1993 -6.3847 3 1667.6964C72  595161404794139 2    794040 2      C-13-H3C(O)CH3
  299961.1151  0.0152 -4.9173 3  837.5869936  595161404582236 1    582137 1      C-13-H3C(O)CH3
  299961.1151  0.0152 -6.8205 3  837.5869936  595161404582236 1    582237 1      C-13-H3C(O)CH3
  299961.1151  0.0152 -4.9131 3  837.5869936  595161404582336 1    582237 1      C-13-H3C(O)CH3
  299963.5416  0.0185 -4.9231 3  837.5869936  595161404582336 2    582137 2      C-13-H3C(O)CH3
  299963.5416  0.0185 -4.9231 3  837.5869936  595161404582236 2    582237 2      C-13-H3C(O)CH3
  299963.5416  0.0185 -6.5092 3  837.5869936  595161404582236 2    582137 2      C-13-H3C(O)CH3
  299963.5416  0.0185 -6.5092 3  837.5869936  595161404582336 2    582237 2      C-13-H3C(O)CH3
  299966.7163  0.0069 -5.5321 3  414.6212356  595161404441035 4    44 836 4      C-13-H3C(O)CH3
  299966.7163  0.0069 -4.7647 3  414.6212356  595161404441035 4    44 936 4      C-13-H3C(O)CH3
  299966.7163  0.0069 -5.1926 3  414.6212356  59516140444 935 4    44 836 4      C-13-H3C(O)CH3
  299966.7163  0.0069 -4.8630 3  414.6212356  59516140444 935 4    44 936 4      C-13-H3C(O)CH3
  299967.0108  0.0067 -5.0432 3  414.6212356  59516140444 935 3    44 836 3      C-13-H3C(O)CH3
  299967.0108  0.0067 -4.9556 3  414.6212356  59516140444 935 3    44 936 3      C-13-H3C(O)CH3
  299967.0108  0.0067 -5.4601 3  414.6212356  595161404441035 3    44 836 3      C-13-H3C(O)CH3
  299967.0108  0.0067 -4.7783 3  414.6212356  595161404441035 3    44 936 3      C-13-H3C(O)CH3
  299985.3292  0.2071 -6.3845 3 1667.6884C72  595161404794039 0    793940 0      C-13-H3C(O)CH3
  299985.6457  0.2072 -6.3845 3 1667.6884C72  595161404794139 0    794040 0      C-13-H3C(O)CH3
  300021.4164  0.0174 -5.2505 3  837.5852468  595161404582236 3    582137 3      C-13-H3C(O)CH3
  300021.4164  0.0174 -5.2496 3  837.5852468  595161404582336 3    582237 3      C-13-H3C(O)CH3
  300021.4164  0.0174 -6.3029 3  837.5852468  595161404582336 3    582137 3      C-13-H3C(O)CH3
  300021.4164  0.0174 -6.2919 3  837.5852468  595161404582236 3    582237 3      C-13-H3C(O)CH3
  300021.5584  0.0175 -6.4125 3  837.5852468  595161404582336 4    582137 4      C-13-H3C(O)CH3
  300021.5584  0.0175 -6.4125 3  837.5852468  595161404582236 4    582237 4      C-13-H3C(O)CH3
  300021.5584  0.0175 -5.2411 3  837.5852468  595161404582236 4    582137 4      C-13-H3C(O)CH3
  300021.5584  0.0175 -5.2411 3  837.5852468  595161404582336 4    582237 4      C-13-H3C(O)CH3
  300033.5786  0.0208 -6.8924 3  145.4576180  5951614042219 3 4    2216 6 4      C-13-H3C(O)CH3
  300046.6882  0.0068 -4.4225 3  414.6444712 -59516140444 935 2    44 836 2      C-13-H3C(O)CH3
  300046.6882  0.0068 -4.4225 3  414.6444712 -595161404441035 2    44 936 2      C-13-H3C(O)CH3
  300046.6984  0.0068 -5.6053 3  414.6444712  595161404441035 2    44 836 2      C-13-H3C(O)CH3
  300046.6984  0.0068 -5.6053 3  414.6444712  59516140444 935 2    44 936 2      C-13-H3C(O)CH3
  300048.5232  0.0069 -4.4568 3  414.6450712  595161404441035 1    44 836 1      C-13-H3C(O)CH3
  300048.5232  0.0069 -4.4568 3  414.6450712  59516140444 935 1    44 936 1      C-13-H3C(O)CH3
  300048.5657  0.0069 -5.2716 3  414.6450712 -595161404441035 1    44 936 1      C-13-H3C(O)CH3
  300048.5657  0.0069 -5.2716 3  414.6450712 -59516140444 935 1    44 836 1      C-13-H3C(O)CH3
  300060.6387  0.1015 -6.1130 3  863.9742412  5951614045150 1 3    5149 2 3      C-13-H3C(O)CH3
  300071.7979  0.0118 -5.1673 3  202.2497440  5951614042718 9 2    2619 7 2      C-13-H3C(O)CH3
  300128.0921  0.0059 -4.4070 3  414.6681712  59516140444 935 0    44 936 0      C-13-H3C(O)CH3
  300128.0921  0.0059 -5.9457 3  414.6681712  59516140444 935 0    44 836 0      C-13-H3C(O)CH3
  300128.0921  0.0059 -4.4070 3  414.6681712  595161404441035 0    44 836 0      C-13-H3C(O)CH3
  300128.0921  0.0059 -5.9457 3  414.6681712  595161404441035 0    44 936 0      C-13-H3C(O)CH3
  300167.6823  0.0060 -6.5207 3  124.9792180  595161404221111 3    22 814 3      C-13-H3C(O)CH3
  300168.0582  0.0100 -6.0945 3   31.0907184  5951614041110 2 0    10 7 3 0      C-13-H3C(O)CH3
  300172.1868  0.0083 -6.5207 3  124.9792180  595161404221111 4    22 814 4      C-13-H3C(O)CH3
  300183.6745  0.0178 -6.9673 3  145.3950180  5951614042219 4 3    2216 7 3      C-13-H3C(O)CH3
  300188.5913  0.0604 -5.6167 3 1027.0491920  5951614045751 6 2    5750 7 2      C-13-H3C(O)CH3
  300217.1996  0.0107 -5.1069 3  202.2474440  5951614042718 9 1    2619 7 1      C-13-H3C(O)CH3
  300257.1147  0.0542 -5.6166 3 1027.0312920  5951614045751 6 0    5750 8 0      C-13-H3C(O)CH3
  300257.1147  0.0542 -5.6166 3 1027.0312920  5951614045751 7 0    5750 7 0      C-13-H3C(O)CH3
  300262.8057  0.0769 -6.0594 3  840.0739808  5951614045050 0 0    5049 2 0      C-13-H3C(O)CH3
  300262.8057  0.0769 -6.0594 3  840.0739808  5951614045050 1 0    5049 1 0      C-13-H3C(O)CH3
  300275.3066  0.0024 -4.9958 3  149.6798236  59516140429 227 3    28 326 3      C-13-H3C(O)CH3
  300275.3066  0.0024 -4.9958 3  149.6798236  59516140429 327 3    28 226 3      C-13-H3C(O)CH3
  300275.3144  0.0770 -5.9176 3 1027.0763460  5951614045751 6 4    5750 7 4      C-13-H3C(O)CH3
  300275.3339  0.0024 -4.4916 3  149.6798236  59516140429 227 4    28 226 4      C-13-H3C(O)CH3
  300275.3339  0.0024 -3.8253 3  149.6798236  59516140429 327 4    28 226 4      C-13-H3C(O)CH3
  300275.3540  0.0024 -3.7653 3  149.6798236 -59516140429 227 3    28 226 3      C-13-H3C(O)CH3
  300275.3540  0.0024 -4.4916 3  149.6798236 -59516140429 327 4    28 326 4      C-13-H3C(O)CH3
  300275.3540  0.0024 -3.7653 3  149.6798236 -59516140429 327 3    28 326 3      C-13-H3C(O)CH3
  300275.3540  0.0024 -3.8253 3  149.6798236 -59516140429 227 4    28 326 4      C-13-H3C(O)CH3
  300285.2003  0.0650 -5.9177 3 1027.0712460  5951614045751 6 3    5750 7 3      C-13-H3C(O)CH3
  300289.7876  0.0134 -5.3191 3  281.8345504  5951614043124 8 0    3025 5 0      C-13-H3C(O)CH3
  300291.0777  0.0134 -5.3191 3  281.8345504  5951614043124 7 0    3025 6 0      C-13-H3C(O)CH3
  300297.6479  0.0059 -6.2165 3  124.9641360  595161404221111 2    22 814 2      C-13-H3C(O)CH3
  300307.1769  0.0025 -3.4840 3  149.6368472  59516140429 227 1    28 226 1      C-13-H3C(O)CH3
  300307.1769  0.0025 -3.5070 3  149.6368472  59516140429 327 1    28 326 1      C-13-H3C(O)CH3
  300307.2674  0.0025 -3.4451 3  149.6363472 -59516140429 227 2    28 226 2      C-13-H3C(O)CH3
  300307.2674  0.0025 -3.4451 3  149.6363472 -59516140429 327 2    28 326 2      C-13-H3C(O)CH3
  300307.2674  0.0025 -4.2798 3  149.6368472 -59516140429 227 1    28 326 1      C-13-H3C(O)CH3
  300307.2674  0.0025 -4.4489 3  149.6368472 -59516140429 327 1    28 226 1      C-13-H3C(O)CH3
  300307.3217  0.0025 -5.3192 3  149.6363472  59516140429 227 2    28 326 2      C-13-H3C(O)CH3
  300307.3217  0.0025 -5.3192 3  149.6363472  59516140429 327 2    28 226 2      C-13-H3C(O)CH3
  300314.8628  0.0192 -5.0739 3   71.1073132  5951614041613 4 3    1512 3 3      C-13-H3C(O)CH3
  300339.0995  0.0022 -4.1877 3  149.5934472 -59516140429 227 0    28 326 0      C-13-H3C(O)CH3
  300339.0995  0.0022 -3.5245 3  149.5934472 -59516140429 327 0    28 326 0      C-13-H3C(O)CH3
  300339.1077  0.0022 -3.5245 3  149.5934472  59516140429 227 0    28 226 0      C-13-H3C(O)CH3
  300339.1077  0.0022 -4.1877 3  149.5934472  59516140429 327 0    28 226 0      C-13-H3C(O)CH3
  300344.6118  0.0577 -5.6164 3 1027.0585920  5951614045751 6 1    5750 7 1      C-13-H3C(O)CH3
  300352.3961  0.0545 -5.6165 3 1027.0371920  5951614045751 7 2    5750 8 2      C-13-H3C(O)CH3
  300353.5710  0.0520 -5.6165 3 1027.0534920  5951614045751 7 1    5750 8 1      C-13-H3C(O)CH3
  300361.0565  0.2167 -6.6622 3 1598.3096596  595161404745519 3    745420 3      C-13-H3C(O)CH3
  300367.1861  0.0073 -5.4888 3  388.0807348  59516140443 835 4    43 736 4      C-13-H3C(O)CH3
  300367.1861  0.0073 -4.7627 3  388.0807348  59516140443 835 4    43 836 4      C-13-H3C(O)CH3
  300367.1861  0.0073 -5.4888 3  388.0807348  59516140443 935 4    43 836 4      C-13-H3C(O)CH3
  300367.1861  0.0073 -4.7627 3  388.0807348  59516140443 935 4    43 736 4      C-13-H3C(O)CH3
  300367.5089  0.0069 -4.6942 3  388.0807348  59516140443 935 3    43 736 3      C-13-H3C(O)CH3
  300367.5089  0.0069 -4.6942 3  388.0807348  59516140443 835 3    43 836 3      C-13-H3C(O)CH3
  300367.5089  0.0069 -6.5335 3  388.0807348  59516140443 835 3    43 736 3      C-13-H3C(O)CH3
  300367.5089  0.0069 -6.5335 3  388.0807348  59516140443 935 3    43 836 3      C-13-H3C(O)CH3
  300385.7154  0.0058 -6.2171 3  124.9658360  595161404221111 1    22 814 1      C-13-H3C(O)CH3
  300395.1477  0.2530 -6.6622 3 1598.3552596  595161404745519 4    745420 4      C-13-H3C(O)CH3
  300402.8852  0.1786 -6.6620 3 1598.2555596  595161404745520 4    745421 4      C-13-H3C(O)CH3
  300416.1310  0.0808 -6.0593 3  840.1399808  5951614045050 0 1    5049 1 1      C-13-H3C(O)CH3
  300437.0197  0.2215 -6.6620 3 1598.3010596  595161404745520 3    745421 3      C-13-H3C(O)CH3
  300439.9092  0.0669 -5.9174 3 1027.0643460  5951614045751 7 3    5750 8 3      C-13-H3C(O)CH3
  300449.5692  0.0668 -5.9175 3 1027.0591460  5951614045751 7 4    5750 8 4      C-13-H3C(O)CH3
  300458.4288  0.0113 -6.2882 3   36.7599100  5951614041210 3 4    11 7 4 4      C-13-H3C(O)CH3
  300469.2734  0.0105 -6.3091 3   31.1480184  5951614041110 1 1    10 7 3 1      C-13-H3C(O)CH3
  300476.6774  0.0077 -4.8526 3  202.2496440  5951614042718 9 0    2619 8 0      C-13-H3C(O)CH3
  300485.2615  0.0066 -4.5319 3  388.0989696 -59516140443 835 2    43 736 2      C-13-H3C(O)CH3
  300485.2615  0.0066 -4.5319 3  388.0989696 -59516140443 935 2    43 836 2      C-13-H3C(O)CH3
  300485.3230  0.0066 -4.9324 3  388.0989696  59516140443 935 2    43 736 2      C-13-H3C(O)CH3
  300485.3230  0.0066 -4.9324 3  388.0989696  59516140443 835 2    43 836 2      C-13-H3C(O)CH3
  300486.0251  0.0125 -5.3177 3  281.8064504  5951614043124 7 2    3025 5 2      C-13-H3C(O)CH3
  300486.2130  0.0154 -6.5926 3  145.4401360  5951614042219 3 1    2216 6 1      C-13-H3C(O)CH3
  300487.1072  0.0068 -4.4607 3  388.0995696  59516140443 935 1    43 736 1      C-13-H3C(O)CH3
  300487.1072  0.0068 -4.4607 3  388.0995696  59516140443 835 1    43 836 1      C-13-H3C(O)CH3
  300487.2224  0.0068 -5.1905 3  388.0995696 -59516140443 935 1    43 836 1      C-13-H3C(O)CH3
  300487.2224  0.0068 -5.1905 3  388.0995696 -59516140443 835 1    43 736 1      C-13-H3C(O)CH3
  300509.7092  0.0998 -6.0589 3  840.0809808  5951614045050 1 2    5049 2 2      C-13-H3C(O)CH3
  300513.6501  0.0057 -6.2137 3  124.9508360  595161404221111 0    22 814 0      C-13-H3C(O)CH3
  300530.7064  0.0924 -6.0410 3 1178.3043500  595161404625210 4    625111 4      C-13-H3C(O)CH3
  300531.1847  0.0131 -5.3190 3  281.7791504  5951614043124 8 1    3025 6 1      C-13-H3C(O)CH3
  300538.3578  0.0030 -3.9985 3   71.0309132  5951614041613 4 4    1512 4 4      C-13-H3C(O)CH3
  300549.3480  0.2270 -6.3608 3 1598.3318B92  595161404745519 1    745420 1      C-13-H3C(O)CH3
  300553.4693  0.0031 -4.0361 3   71.1073132  5951614041613 3 3    1512 3 3      C-13-H3C(O)CH3
  300571.8481  0.0150 -6.5884 3  145.3796360  5951614042219 4 1    2216 7 1      C-13-H3C(O)CH3
  300583.6603  0.0032 -4.0358 3   71.0983132  5951614041613 4 3    1512 4 3      C-13-H3C(O)CH3
  300584.5996  0.0905 -6.0588 3  840.1146808  5951614045050 1 1    5049 2 1      C-13-H3C(O)CH3
  300591.3606  0.1928 -6.3606 3 1598.2777B92  595161404745520 1    745421 1      C-13-H3C(O)CH3
  300596.7393  0.0762 -5.7398 3 1178.2793A00  595161404625210 2    625111 2      C-13-H3C(O)CH3
  300599.9182  0.0024 -3.9974 3   71.1747132  5951614041613 3 4    1512 3 4      C-13-H3C(O)CH3
  300604.7337  0.0060 -5.7554 3  388.1177696  59516140443 835 0    43 836 0      C-13-H3C(O)CH3
  300604.7394  0.0060 -4.3861 3  388.1177696 -59516140443 835 0    43 736 0      C-13-H3C(O)CH3
  300604.7394  0.0060 -4.4051 3  388.1177696 -59516140443 935 0    43 836 0      C-13-H3C(O)CH3
  300604.7907  0.0815 -6.0409 3 1178.2767500  595161404625210 3    625111 3      C-13-H3C(O)CH3
  300608.5518  0.0107 -6.3197 3   31.1461184  5951614041110 1 2    10 7 3 2      C-13-H3C(O)CH3
  300624.2593  0.1893 -6.3606 3 1598.2840B92  595161404745520 2    745421 2      C-13-H3C(O)CH3
  300632.4092  0.1022 -6.1995 3 1406.6001588  595161404733538 4    733439 4      C-13-H3C(O)CH3
  300632.4184  0.1022 -6.1995 3 1406.6001588  595161404733638 4    733539 4      C-13-H3C(O)CH3
  300632.4418  0.1022 -6.1995 3 1406.6001588  595161404733538 3    733439 3      C-13-H3C(O)CH3
  300632.4511  0.1022 -6.1995 3 1406.6001588  595161404733638 3    733539 3      C-13-H3C(O)CH3
  300633.3309  0.0131 -5.3179 3  281.7889504  5951614043124 7 1    3025 5 1      C-13-H3C(O)CH3
  300636.8365  0.0799 -6.0408 3 1178.2660500  595161404625211 3    625112 3      C-13-H3C(O)CH3
  300637.2663  0.0150 -6.5938 3  145.3911360  5951614042219 4 2    2216 7 2      C-13-H3C(O)CH3
  300654.7637  0.0922 -6.0589 3  840.1266808  5951614045050 0 2    5049 1 2      C-13-H3C(O)CH3
  300658.2424  0.2286 -6.3606 3 1598.3297B92  595161404745519 2    745420 2      C-13-H3C(O)CH3
  300658.4753  0.1051 -5.8984 3 1406.5824B76  595161404733538 1    733439 1      C-13-H3C(O)CH3
  300658.4845  0.1051 -5.8984 3 1406.5824B76  595161404733638 1    733539 1      C-13-H3C(O)CH3
  300662.8321  0.1039 -5.8984 3 1406.5853B76  595161404733538 2    733439 2      C-13-H3C(O)CH3
  300662.8395  0.1039 -5.8984 3 1406.5853B76  595161404733638 2    733539 2      C-13-H3C(O)CH3
  300664.7820  0.1118 -6.3599 3  840.1469404  5951614045050 1 3    5049 2 3      C-13-H3C(O)CH3
  300667.0325  0.0132 -5.3179 3  281.7915504  5951614043124 8 2    3025 6 2      C-13-H3C(O)CH3
  300688.8539  0.1058 -5.8982 3 1406.5676B76  595161404733538 0    733439 0      C-13-H3C(O)CH3
  300688.8612  0.1058 -5.8982 3 1406.5676B76  595161404733638 0    733539 0      C-13-H3C(O)CH3
  300702.5846  0.0670 -5.7396 3 1178.2411A00  595161404625211 2    625112 2      C-13-H3C(O)CH3
  300706.4657  0.0716 -5.7396 3 1178.2766A00  595161404625210 1    625111 1      C-13-H3C(O)CH3
  300710.6993  0.0860 -6.0407 3 1178.2385500  595161404625211 4    625112 4      C-13-H3C(O)CH3
  300723.8101  0.0139 -5.6186 3  281.7509252  5951614043124 8 3    3025 5 3      C-13-H3C(O)CH3
  300737.2004  0.0143 -5.5828 3  202.2147220  5951614042718 9 3    2619 7 3      C-13-H3C(O)CH3
  300737.4434  0.0079 -4.7339 3  362.1312340  59516140442 735 4    42 636 4      C-13-H3C(O)CH3
  300737.4434  0.0079 -5.6833 3  362.1312340  59516140442 735 4    42 736 4      C-13-H3C(O)CH3
  300737.4434  0.0079 -4.7339 3  362.1312340  59516140442 835 4    42 736 4      C-13-H3C(O)CH3
  300737.4434  0.0079 -5.6833 3  362.1312340  59516140442 835 4    42 636 4      C-13-H3C(O)CH3
  300737.7719  0.0074 -4.7093 3  362.1311340  59516140442 735 3    42 636 3      C-13-H3C(O)CH3
  300737.7719  0.0074 -4.7093 3  362.1311340  59516140442 835 3    42 736 3      C-13-H3C(O)CH3
  300737.7719  0.0074 -6.0010 3  362.1311340  59516140442 735 3    42 736 3      C-13-H3C(O)CH3
  300737.7719  0.0074 -6.0010 3  362.1311340  59516140442 835 3    42 636 3      C-13-H3C(O)CH3
  300743.0258  0.0038 -5.1838 3  196.2451220  595161404271612 4    2617 9 4      C-13-H3C(O)CH3
  300762.6613  0.0114 -6.5552 3   31.2083 92  5951614041110 1 4    10 7 3 4      C-13-H3C(O)CH3
  300770.3838  0.0026 -3.6965 3   71.0455264 -5951614041613 4 1    1512 4 1      C-13-H3C(O)CH3
  300771.5998  0.0605 -5.7394 3 1178.2515A00  595161404625211 0    625111 0      C-13-H3C(O)CH3
  300771.5998  0.0605 -5.7394 3 1178.2515A00  595161404625210 0    625112 0      C-13-H3C(O)CH3
  300779.9212  0.0651 -5.7395 3 1178.2490A00  595161404625211 1    625112 1      C-13-H3C(O)CH3
  300794.5351  0.0024 -3.6960 3   71.1214264 -5951614041613 3 1    1512 3 1      C-13-H3C(O)CH3
  300803.5047  0.0120 -5.7638 3  802.8766920  595161404572136 0    572037 0      C-13-H3C(O)CH3
  300803.5047  0.0120 -4.9138 3  802.8766920  595161404572136 0    572137 0      C-13-H3C(O)CH3
  300803.5047  0.0120 -5.7638 3  802.8766920  595161404572236 0    572137 0      C-13-H3C(O)CH3
  300803.5047  0.0120 -4.9138 3  802.8766920  595161404572236 0    572037 0      C-13-H3C(O)CH3
  300806.0892  0.0025 -3.6963 3   71.0551264 -5951614041613 4 2    1512 4 2      C-13-H3C(O)CH3
  300810.8797  0.1015 -6.3599 3  840.1927404  5951614045050 0 4    5049 1 4      C-13-H3C(O)CH3
  300812.5037  0.2251 -6.3602 3 1598.3064B92  595161404745519 0    745420 0      C-13-H3C(O)CH3
  300812.5046  0.2251 -6.3602 3 1598.3064B92  595161404745520 0    745421 0      C-13-H3C(O)CH3
  300813.3760  0.0061 -5.1792 3  196.2429220  595161404271612 3    2617 9 3      C-13-H3C(O)CH3
  300822.2669  0.0192 -5.0729 3   71.0983132  5951614041613 3 3    1512 4 3      C-13-H3C(O)CH3
  300828.1230  0.0161 -5.6175 3  281.7607252  5951614043124 7 4    3025 5 4      C-13-H3C(O)CH3
  300833.7343  0.1334 -6.3594 3  840.1215404  5951614045050 1 4    5049 2 4      C-13-H3C(O)CH3
  300840.8719  0.0027 -3.6957 3   71.1229264 -5951614041613 3 2    1512 3 2      C-13-H3C(O)CH3
  300866.6885  0.0139 -4.9932 3  802.8712920  595161404572236 1    572137 1      C-13-H3C(O)CH3
  300866.6885  0.0139 -4.9932 3  802.8712920  595161404572136 1    572037 1      C-13-H3C(O)CH3
  300866.6885  0.0139 -5.4236 3  802.8712920  595161404572236 1    572037 1      C-13-H3C(O)CH3
  300866.6885  0.0139 -5.4236 3  802.8712920  595161404572136 1    572137 1      C-13-H3C(O)CH3
  300867.6624  0.0043 -4.8792 3  196.2540440  595161404271612 1    2617 9 1      C-13-H3C(O)CH3
  300868.6659  0.0165 -6.0951 3  802.8711920  595161404572136 2    572037 2      C-13-H3C(O)CH3
  300868.6659  0.0165 -4.8820 3  802.8711920  595161404572136 2    572137 2      C-13-H3C(O)CH3
  300868.6659  0.0165 -4.8820 3  802.8711920  595161404572236 2    572037 2      C-13-H3C(O)CH3
  300868.6659  0.0165 -6.0951 3  802.8711920  595161404572236 2    572137 2      C-13-H3C(O)CH3
  300879.0917  0.0042 -4.8744 3  196.2486440  595161404271612 2    2617 9 2      C-13-H3C(O)CH3
  300893.4204  0.0390 -5.3941 3 1125.7874A64  595161404662937 0    662838 0      C-13-H3C(O)CH3
  300893.4205  0.0390 -5.3941 3 1125.7874A64  595161404663037 0    662938 0      C-13-H3C(O)CH3
  300893.4231  0.0143 -6.5981 3  145.4397360  5951614042219 3 2    2216 6 2      C-13-H3C(O)CH3
  300896.4982  0.0402 -5.3941 3 1125.8037A64  595161404663037 1    662938 1      C-13-H3C(O)CH3
  300896.4982  0.0402 -5.3941 3 1125.8037A64  595161404662937 1    662838 1      C-13-H3C(O)CH3
  300899.0310  0.0064 -4.4124 3  362.1429680 -59516140442 835 2    42 736 2      C-13-H3C(O)CH3
  300899.0310  0.0064 -4.4124 3  362.1429680 -59516140442 735 2    42 636 2      C-13-H3C(O)CH3
  300899.0501  0.0064 -5.6156 3  362.1429680  59516140442 735 2    42 736 2      C-13-H3C(O)CH3
  300899.0501  0.0064 -5.6156 3  362.1429680  59516140442 835 2    42 636 2      C-13-H3C(O)CH3
  300900.7388  0.0067 -5.7871 3  362.1434680  59516140442 735 1    42 736 1      C-13-H3C(O)CH3
  300900.7388  0.0067 -5.7871 3  362.1434680  59516140442 835 1    42 636 1      C-13-H3C(O)CH3
  300900.8711  0.0067 -4.4037 3  362.1434680 -59516140442 735 1    42 636 1      C-13-H3C(O)CH3
  300900.8711  0.0067 -4.4037 3  362.1434680 -59516140442 835 1    42 736 1      C-13-H3C(O)CH3
  300901.2288  0.0452 -5.3942 3 1125.8052A64  595161404662937 2    662838 2      C-13-H3C(O)CH3
  300901.2288  0.0452 -5.3942 3 1125.8052A64  595161404663037 2    662938 2      C-13-H3C(O)CH3
  300903.2220  0.0149 -5.6188 3  281.7361252  5951614043124 8 4    3025 6 4      C-13-H3C(O)CH3
  300904.3526  0.0459 -5.6951 3 1125.8216532  595161404662937 3    662838 3      C-13-H3C(O)CH3
  300904.3526  0.0459 -5.6951 3 1125.8216532  595161404663037 3    662938 3      C-13-H3C(O)CH3
  300904.4084  0.0459 -5.6951 3 1125.8217532  595161404662937 4    662838 4      C-13-H3C(O)CH3
  300904.4084  0.0459 -5.6951 3 1125.8217532  595161404663037 4    662938 4      C-13-H3C(O)CH3
  300931.9441  0.0154 -5.4399 3  802.8658460  595161404572236 3    572037 3      C-13-H3C(O)CH3
  300931.9441  0.0154 -5.4768 3  802.8658460  595161404572136 3    572037 3      C-13-H3C(O)CH3
  300931.9441  0.0154 -5.4768 3  802.8658460  595161404572236 3    572137 3      C-13-H3C(O)CH3
  300931.9441  0.0154 -5.4399 3  802.8658460  595161404572136 3    572137 3      C-13-H3C(O)CH3
  300932.0867  0.0156 -5.3381 3  802.8658460  595161404572136 4    572037 4      C-13-H3C(O)CH3
  300932.0867  0.0156 -5.3381 3  802.8658460  595161404572236 4    572137 4      C-13-H3C(O)CH3
  300932.0867  0.0156 -5.6241 3  802.8658460  595161404572236 4    572037 4      C-13-H3C(O)CH3
  300932.0867  0.0156 -5.6241 3  802.8658460  595161404572136 4    572137 4      C-13-H3C(O)CH3
  300954.3251  0.0175 -6.7326 3  183.3567408  5951614042520 6 1    2517 8 1      C-13-H3C(O)CH3
  300965.0470  0.0023 -3.6946 3   71.0714264 -5951614041613 4 0    1512 3 0      C-13-H3C(O)CH3
  300968.1233  0.0032 -4.8732 3  196.2586440  595161404271612 0    2617 9 0      C-13-H3C(O)CH3
  300979.8243  0.1159 -6.3594 3  840.1673404  5951614045050 0 3    5049 1 3      C-13-H3C(O)CH3
  300999.1813  0.0131 -5.1386 3  202.2188440  5951614042718 9 2    2619 8 2      C-13-H3C(O)CH3
  301006.7750  0.0133 -5.6177 3  281.7458252  5951614043124 7 3    3025 6 3      C-13-H3C(O)CH3
  301061.7440  0.0061 -4.6008 3  362.1551680  59516140442 835 0    42 736 0      C-13-H3C(O)CH3
  301061.7440  0.0061 -4.7935 3  362.1551680  59516140442 735 0    42 736 0      C-13-H3C(O)CH3
  301061.7907  0.0061 -4.6008 3  362.1551680 -59516140442 735 0    42 636 0      C-13-H3C(O)CH3
  301061.7907  0.0061 -4.7935 3  362.1551680 -59516140442 835 0    42 636 0      C-13-H3C(O)CH3
  301078.7100  0.0089 -4.7887 3  336.7737332  59516140441 635 4    41 536 4      C-13-H3C(O)CH3
  301078.7100  0.0089 -5.4197 3  336.7737332  59516140441 635 4    41 636 4      C-13-H3C(O)CH3
  301078.7100  0.0089 -4.7887 3  336.7737332  59516140441 735 4    41 636 4      C-13-H3C(O)CH3
  301078.7100  0.0089 -5.4197 3  336.7737332  59516140441 735 4    41 536 4      C-13-H3C(O)CH3
  301079.0125  0.0083 -4.7740 3  336.7736332  59516140441 635 3    41 536 3      C-13-H3C(O)CH3
  301079.0125  0.0083 -4.7740 3  336.7736332  59516140441 735 3    41 636 3      C-13-H3C(O)CH3
  301079.0125  0.0083 -5.4891 3  336.7736332  59516140441 735 3    41 536 3      C-13-H3C(O)CH3
  301079.0125  0.0083 -5.4891 3  336.7736332  59516140441 635 3    41 636 3      C-13-H3C(O)CH3
  301107.4248  0.0023 -3.6943 3   71.0679264 -5951614041613 3 0    1512 4 0      C-13-H3C(O)CH3
  301136.3585  0.0167 -5.3520 3  202.2013220  5951614042718 9 3    2619 8 3      C-13-H3C(O)CH3
  301145.2793  0.0148 -5.8554 3  384.2820616  595161404382019 1    372116 1      C-13-H3C(O)CH3
  301178.6864  0.0161 -6.5868 3  145.4277360  5951614042219 3 0    2216 6 0      C-13-H3C(O)CH3
  301227.9592  0.2907 -6.8661 3 1717.1851620  595161404775621 3    775522 3      C-13-H3C(O)CH3
  301228.8397  0.0214 -6.8779 3  183.3426204  5951614042520 6 3    2517 8 3      C-13-H3C(O)CH3
  301243.3347  0.2334 -6.8659 3 1717.1325620  595161404775622 4    775523 4      C-13-H3C(O)CH3
  301248.4317  0.0119 -5.8538 3  384.3028616  595161404382019 0    372116 0      C-13-H3C(O)CH3
  301262.2630  0.3190 -6.8661 3 1717.2243620  595161404775621 4    775522 4      C-13-H3C(O)CH3
  301277.4992  0.2762 -6.8660 3 1717.1717620  595161404775622 3    775523 3      C-13-H3C(O)CH3
  301289.2245  0.0067 -6.7255 3  336.7771664 -59516140441 635 2    41 636 2      C-13-H3C(O)CH3
  301289.2245  0.0067 -4.3977 3  336.7771664 -59516140441 735 2    41 636 2      C-13-H3C(O)CH3
  301289.2750  0.0067 -6.7255 3  336.7771664  59516140441 735 2    41 536 2      C-13-H3C(O)CH3
  301289.2750  0.0067 -4.3977 3  336.7771664  59516140441 635 2    41 536 2      C-13-H3C(O)CH3
  301289.8152  0.0077 -6.5184 3  124.9792180  595161404221211 4    22 914 4      C-13-H3C(O)CH3
  301290.8188  0.0073 -4.7613 3  336.7776664  59516140441 635 1    41 636 1      C-13-H3C(O)CH3
  301290.8188  0.0073 -4.7613 3  336.7776664  59516140441 735 1    41 536 1      C-13-H3C(O)CH3
  301290.9440  0.0057 -6.5184 3  124.9792180  595161404221211 3    22 914 3      C-13-H3C(O)CH3
  301290.9443  0.0073 -4.6406 3  336.7776664 -59516140441 735 1    41 636 1      C-13-H3C(O)CH3
  301290.9443  0.0073 -4.6406 3  336.7776664 -59516140441 635 1    41 536 1      C-13-H3C(O)CH3
  301294.3364  0.0172 -6.1545 3  384.2484308  595161404382019 4    372116 4      C-13-H3C(O)CH3
  301301.8906  0.0187 -6.1544 3  384.2482308  595161404382019 3    372116 3      C-13-H3C(O)CH3
  301372.3471  0.0029 -5.3963 3  151.8860244  59516140430 229 3    29 128 3      C-13-H3C(O)CH3
  301372.3471  0.0029 -5.3963 3  151.8860244  59516140430 129 3    29 228 3      C-13-H3C(O)CH3
  301372.3676  0.0028 -4.5263 3  151.8860244  59516140430 229 4    29 228 4      C-13-H3C(O)CH3
  301372.3676  0.0028 -3.7778 3  151.8860244  59516140430 129 4    29 228 4      C-13-H3C(O)CH3
  301372.4105  0.0029 -3.7154 3  151.8860244 -59516140430 229 3    29 228 3      C-13-H3C(O)CH3
  301372.4105  0.0028 -3.7778 3  151.8860244 -59516140430 229 4    29 128 4      C-13-H3C(O)CH3
  301372.4105  0.0028 -4.5263 3  151.8860244 -59516140430 129 4    29 128 4      C-13-H3C(O)CH3
  301372.4105  0.0029 -3.7154 3  151.8860244 -59516140430 129 3    29 128 3      C-13-H3C(O)CH3
  301379.2842  0.0185 -6.7286 3  183.3426204  5951614042520 5 3    2517 8 3      C-13-H3C(O)CH3
  301382.6070  0.1315 -6.2115 3 1310.2618532  595161404665313 4    665214 4      C-13-H3C(O)CH3
  301389.1088  0.1859 -6.4206 3 1450.2641564  595161404705416 4    705317 4      C-13-H3C(O)CH3
  301389.1158  0.3237 -6.5648 3 1717.2096C40  595161404775621 1    775522 1      C-13-H3C(O)CH3
  301389.5814  0.1434 -6.4205 3 1450.2135564  595161404705417 3    705317 3      C-13-H3C(O)CH3
  301392.1745  0.0105 -4.7991 3  312.0092324  59516140440 635 4    40 436 4      C-13-H3C(O)CH3
  301392.1745  0.0105 -5.5023 3  312.0092324  59516140440 535 4    40 436 4      C-13-H3C(O)CH3
  301392.1745  0.0105 -4.7991 3  312.0092324  59516140440 535 4    40 536 4      C-13-H3C(O)CH3
  301392.1745  0.0105 -5.5023 3  312.0092324  59516140440 635 4    40 536 4      C-13-H3C(O)CH3
  301392.4076  0.0098 -4.7249 3  312.0091324  59516140440 535 3    40 536 3      C-13-H3C(O)CH3
  301392.4076  0.0098 -6.7299 3  312.0091324  59516140440 535 3    40 436 3      C-13-H3C(O)CH3
  301392.4076  0.0098 -6.7299 3  312.0091324  59516140440 635 3    40 536 3      C-13-H3C(O)CH3
  301392.4076  0.0098 -4.7249 3  312.0091324  59516140440 635 3    40 436 3      C-13-H3C(O)CH3
  301392.5598  0.0030 -3.4289 3  151.8315488  59516140430 229 1    29 228 1      C-13-H3C(O)CH3
  301392.5598  0.0030 -3.4219 3  151.8315488  59516140430 129 1    29 128 1      C-13-H3C(O)CH3
  301392.5975  0.0030 -4.8304 3  151.8315488 -59516140430 229 1    29 128 1      C-13-H3C(O)CH3
  301392.5975  0.0030 -4.6816 3  151.8315488 -59516140430 129 1    29 228 1      C-13-H3C(O)CH3
  301392.5975  0.0029 -3.4127 3  151.8310488 -59516140430 129 2    29 128 2      C-13-H3C(O)CH3
  301392.5975  0.0029 -5.1764 3  151.8310488 -59516140430 229 2    29 128 2      C-13-H3C(O)CH3
  301392.6687  0.0029 -3.4127 3  151.8310488  59516140430 229 2    29 228 2      C-13-H3C(O)CH3
  301392.6687  0.0029 -5.1764 3  151.8310488  59516140430 129 2    29 228 2      C-13-H3C(O)CH3
  301399.0809  0.0633 -5.6226 3 1000.2758904  5951614045651 6 2    5650 6 2      C-13-H3C(O)CH3
  301404.6881  0.2699 -6.5646 3 1717.1570C40  595161404775622 1    775523 1      C-13-H3C(O)CH3
  301404.7207  0.0160 -5.8518 3  384.2691616  595161404382019 2    372116 2      C-13-H3C(O)CH3
  301409.8949  0.0106 -6.2410 3  426.1649324  595161404402020 3    392317 3      C-13-H3C(O)CH3
  301412.8242  0.0026 -3.4162 3  151.7766488  59516140430 129 0    29 128 0      C-13-H3C(O)CH3
  301412.8242  0.0026 -5.0043 3  151.7766488  59516140430 229 0    29 128 0      C-13-H3C(O)CH3
  301412.8517  0.0026 -3.4162 3  151.7766488 -59516140430 229 0    29 228 0      C-13-H3C(O)CH3
  301412.8517  0.0026 -5.0043 3  151.7766488 -59516140430 129 0    29 228 0      C-13-H3C(O)CH3
  301413.1691  0.0108 -6.2410 3  426.1647324  595161404402020 4    392317 4      C-13-H3C(O)CH3
  301424.3172  0.0548 -5.6226 3 1000.2605904  5951614045651 5 0    5650 7 0      C-13-H3C(O)CH3
  301424.3172  0.0548 -5.6226 3 1000.2605904  5951614045651 6 0    5650 6 0      C-13-H3C(O)CH3
  301434.0966  0.1026 -6.2113 3 1310.2132532  595161404665314 3    665215 3      C-13-H3C(O)CH3
  301445.0408  0.0110 -5.9409 3  426.1915648  595161404402020 1    392317 1      C-13-H3C(O)CH3
  301453.5098  0.0056 -6.2142 3  124.9641360  595161404221211 2    22 914 2      C-13-H3C(O)CH3
  301470.2438  0.1637 -6.4203 3 1450.2132564  595161404705416 3    705318 3      C-13-H3C(O)CH3
  301470.5001  0.1315 -6.4202 3 1450.1627564  595161404705417 4    705318 4      C-13-H3C(O)CH3
  301474.5076  0.1165 -6.2112 3 1310.2202532  595161404665313 3    665214 3      C-13-H3C(O)CH3
  301476.4216  0.0176 -6.6485 3  183.3547408  5951614042520 6 2    2517 8 2      C-13-H3C(O)CH3
  301487.9715  0.0079 -5.6789 3  247.7520488  595161404301912 1    301615 1      C-13-H3C(O)CH3
  301491.3408  0.0112 -5.9385 3  426.1860648  595161404402020 2    392317 2      C-13-H3C(O)CH3
  301496.5935  0.2682 -6.5645 3 1717.1616C40  595161404775622 2    775523 2      C-13-H3C(O)CH3
  301500.7036  0.0064 -4.5308 3  336.7810664  59516140441 735 0    41 536 0      C-13-H3C(O)CH3
  301500.7036  0.0064 -4.5308 3  336.7810664  59516140441 635 0    41 636 0      C-13-H3C(O)CH3
  301500.7962  0.0064 -4.9657 3  336.7810664 -59516140441 735 0    41 636 0      C-13-H3C(O)CH3
  301500.7962  0.0064 -4.9657 3  336.7810664 -59516140441 635 0    41 536 0      C-13-H3C(O)CH3
  301504.0145  0.0076 -5.9810 3  247.7318244  595161404301912 4    301615 4      C-13-H3C(O)CH3
  301510.9402  0.0698 -5.9236 3 1000.3043452  5951614045651 6 3    5650 6 3      C-13-H3C(O)CH3
  301511.2298  0.0075 -5.9810 3  247.7318244  595161404301912 3    301615 3      C-13-H3C(O)CH3
  301513.4296  0.0127 -5.2032 3  202.2042440  5951614042718 9 1    2619 8 1      C-13-H3C(O)CH3
  301513.5977  0.0056 -6.2148 3  124.9658360  595161404221211 1    22 914 1      C-13-H3C(O)CH3
  301524.8706  0.0100 -5.9395 3  426.2126648  595161404402020 0    392317 0      C-13-H3C(O)CH3
  301525.7361  0.1063 -6.2111 3 1310.1716532  595161404665314 4    665215 4      C-13-H3C(O)CH3
  301526.8108  0.0831 -5.9235 3 1000.3047452  5951614045651 6 4    5650 6 4      C-13-H3C(O)CH3
  301530.6933  0.3074 -6.5645 3 1717.2009C40  595161404775621 2    775522 2      C-13-H3C(O)CH3
  301535.0705  0.0081 -5.6776 3  247.7676488  595161404301912 0    301615 0      C-13-H3C(O)CH3
  301535.7756  0.0537 -5.6226 3 1000.2890904  5951614045651 6 1    5650 7 1      C-13-H3C(O)CH3
  301543.7636  0.1083 -5.9101 3 1310.2372A64  595161404665313 2    665214 2      C-13-H3C(O)CH3
  301552.5711  0.0599 -5.6224 3 1000.2895904  5951614045651 5 1    5650 6 1      C-13-H3C(O)CH3
  301557.7504  0.0079 -5.6788 3  247.7473488  595161404301912 2    301615 2      C-13-H3C(O)CH3
  301569.5862  0.0554 -5.6224 3 1000.2717904  5951614045651 5 2    5650 7 2      C-13-H3C(O)CH3
  301579.9940  0.1426 -6.1191 3 1450.2344B28  595161404705416 1    705317 1      C-13-H3C(O)CH3
  301584.6253  0.0160 -6.5859 3  145.4141360  5951614042219 4 0    2216 7 0      C-13-H3C(O)CH3
  301584.6799  0.0975 -5.9100 3 1310.2307A64  595161404665313 1    665214 1      C-13-H3C(O)CH3
  301595.1844  0.0824 -5.9099 3 1310.1886A64  595161404665314 2    665215 2      C-13-H3C(O)CH3
  301599.8509  0.0087 -5.8763 3  195.9053440  595161404271512 2    271215 2      C-13-H3C(O)CH3
  301614.0353  0.0205 -6.2129 3  292.7725520  595161404322310 1    322012 1      C-13-H3C(O)CH3
  301618.6911  0.1566 -6.1190 3 1450.2391B28  595161404705416 2    705317 2      C-13-H3C(O)CH3
  301619.1897  0.1176 -6.1189 3 1450.1885B28  595161404705417 2    705318 2      C-13-H3C(O)CH3
  301655.6019  0.0110 -4.8520 3  768.7397904  595161404562036 0    561937 0      C-13-H3C(O)CH3
  301655.6019  0.0110 -5.7729 3  768.7397904  595161404562036 0    562037 0      C-13-H3C(O)CH3
  301655.6019  0.0110 -4.8520 3  768.7397904  595161404562136 0    562037 0      C-13-H3C(O)CH3
  301655.6019  0.0110 -5.7729 3  768.7397904  595161404562136 0    561937 0      C-13-H3C(O)CH3
  301657.3128  0.0081 -4.4325 3  312.0024648 -59516140440 535 2    40 436 2      C-13-H3C(O)CH3
  301657.3128  0.0081 -4.4325 3  312.0024648 -59516140440 635 2    40 536 2      C-13-H3C(O)CH3
  301657.3197  0.0081 -5.9174 3  312.0024648  59516140440 535 2    40 536 2      C-13-H3C(O)CH3
  301657.3197  0.0081 -5.9174 3  312.0024648  59516140440 635 2    40 436 2      C-13-H3C(O)CH3
  301657.7942  0.3336 -6.5642 3 1717.1862C40  595161404775621 0    775522 0      C-13-H3C(O)CH3
  301657.8021  0.3336 -6.5642 3 1717.1862C40  595161404775622 0    775523 0      C-13-H3C(O)CH3
  301658.6757  0.0089 -4.6151 3  312.0029648  59516140440 535 1    40 536 1      C-13-H3C(O)CH3
  301658.6757  0.0089 -4.6151 3  312.0029648  59516140440 635 1    40 436 1      C-13-H3C(O)CH3
  301658.7412  0.0089 -4.8577 3  312.0029648 -59516140440 535 1    40 436 1      C-13-H3C(O)CH3
  301658.7412  0.0089 -4.8577 3  312.0029648 -59516140440 635 1    40 536 1      C-13-H3C(O)CH3
  301661.0246  0.1263 -6.1189 3 1450.1835B28  595161404705417 1    705318 1      C-13-H3C(O)CH3
  301676.2332  0.0878 -5.9098 3 1310.1891A64  595161404665314 1    665215 1      C-13-H3C(O)CH3
  301676.4655  0.0055 -6.2114 3  124.9508360  595161404221211 0    22 914 0      C-13-H3C(O)CH3
  301678.9984  0.0126 -6.4320 3  287.8387316  59516140439 535 4    39 336 4      C-13-H3C(O)CH3
  301678.9984  0.0126 -4.7720 3  287.8387316  59516140439 435 4    39 336 4      C-13-H3C(O)CH3
  301678.9984  0.0126 -6.4320 3  287.8387316  59516140439 435 4    39 436 4      C-13-H3C(O)CH3
  301678.9984  0.0126 -4.7720 3  287.8387316  59516140439 535 4    39 436 4      C-13-H3C(O)CH3
  301679.1060  0.0118 -5.1946 3  287.8386316  59516140439 435 3    39 436 3      C-13-H3C(O)CH3
  301679.1060  0.0118 -5.1518 3  287.8386316  59516140439 535 3    39 336 3      C-13-H3C(O)CH3
  301679.1060  0.0118 -4.9903 3  287.8386316  59516140439 535 3    39 436 3      C-13-H3C(O)CH3
  301679.1060  0.0118 -4.9630 3  287.8386316  59516140439 435 3    39 336 3      C-13-H3C(O)CH3
  301682.0826  0.0685 -5.9234 3 1000.3001452  5951614045651 5 4    5650 7 4      C-13-H3C(O)CH3
  301689.2534  0.0077 -5.8748 3  195.9155440  595161404271512 0    271215 0      C-13-H3C(O)CH3
  301698.2375  0.0708 -5.9233 3 1000.3005452  5951614045651 5 3    5650 7 3      C-13-H3C(O)CH3
  301698.5630  0.0086 -5.6430 3  266.1556504  595161404312012 1    311715 1      C-13-H3C(O)CH3
  301706.2525  0.3831 -6.7829 3 1840.6233C88  595161404805724 1    805625 1      C-13-H3C(O)CH3
  301717.4058  0.0294 -6.5204 3  292.7483260  595161404322310 3    322012 3      C-13-H3C(O)CH3
  301722.8369  0.0128 -5.9313 3  768.7307904  595161404562136 1    562037 1      C-13-H3C(O)CH3
  301722.8369  0.0128 -4.8361 3  768.7307904  595161404562036 1    562037 1      C-13-H3C(O)CH3
  301722.8369  0.0128 -4.8361 3  768.7307904  595161404562136 1    561937 1      C-13-H3C(O)CH3
  301722.8369  0.0128 -5.9313 3  768.7307904  595161404562036 1    561937 1      C-13-H3C(O)CH3
  301723.1738  0.4553 -6.7830 3 1840.6714C88  595161404805723 1    805624 1      C-13-H3C(O)CH3
  301724.3555  0.0148 -5.9724 3  768.7305904  595161404562036 2    562037 2      C-13-H3C(O)CH3
  301724.3555  0.0148 -4.8330 3  768.7305904  595161404562036 2    561937 2      C-13-H3C(O)CH3
  301724.3555  0.0148 -4.8330 3  768.7305904  595161404562136 2    562037 2      C-13-H3C(O)CH3
  301724.3555  0.0148 -5.9724 3  768.7305904  595161404562136 2    561937 2      C-13-H3C(O)CH3
  301736.8937  0.0107 -6.1792 3  195.8983220  595161404271512 3    271215 3      C-13-H3C(O)CH3
  301737.5593  0.0319 -6.5085 3  292.7476260  595161404322310 4    322012 4      C-13-H3C(O)CH3
  301745.2452  0.0754 -5.9096 3 1310.2061A64  595161404665313 0    665214 0      C-13-H3C(O)CH3
  301745.2452  0.0754 -5.9096 3 1310.2061A64  595161404665314 0    665215 0      C-13-H3C(O)CH3
  301749.9606  0.0117 -6.1792 3  195.8984220  595161404271512 4    271215 4      C-13-H3C(O)CH3
  301758.1902  0.0083 -5.9450 3  266.1330252  595161404312012 4    311715 4      C-13-H3C(O)CH3
  301760.7747  0.0083 -5.9452 3  266.1330252  595161404312012 3    311715 3      C-13-H3C(O)CH3
  301773.2967  0.0088 -5.6420 3  266.1729504  595161404312012 0    311715 0      C-13-H3C(O)CH3
  301791.6878  0.0139 -5.1036 3  768.7214452  595161404562136 3    562037 3      C-13-H3C(O)CH3
  301791.6878  0.0139 -5.1036 3  768.7214452  595161404562036 3    561937 3      C-13-H3C(O)CH3
  301791.8259  0.0140 -5.2089 3  768.7214452  595161404562036 4    561937 4      C-13-H3C(O)CH3
  301791.8259  0.0140 -5.7693 3  768.7214452  595161404562036 4    562037 4      C-13-H3C(O)CH3
  301791.8259  0.0140 -5.2089 3  768.7214452  595161404562136 4    562037 4      C-13-H3C(O)CH3
  301791.8259  0.0140 -5.7693 3  768.7214452  595161404562136 4    561937 4      C-13-H3C(O)CH3
  301809.3333  0.1241 -6.1186 3 1450.2095B28  595161404705416 0    705317 0      C-13-H3C(O)CH3
  301809.3334  0.1241 -6.1186 3 1450.2095B28  595161404705417 0    705318 0      C-13-H3C(O)CH3
  301829.9647  0.0089 -5.8768 3  195.9085440  595161404271512 1    271215 1      C-13-H3C(O)CH3
  301830.1734  0.0301 -6.9072 3  814.1874904  595161404562531 0    552828 0      C-13-H3C(O)CH3
  301831.7667  0.0301 -6.9072 3  814.1873904  595161404562631 0    552728 0      C-13-H3C(O)CH3
  301834.5879  0.0341 -6.9064 3  814.1887904  595161404562531 1    552828 1      C-13-H3C(O)CH3
  301836.3493  0.0340 -6.9064 3  814.1887904  595161404562631 1    552728 1      C-13-H3C(O)CH3
  301838.2393  0.0085 -5.6432 3  266.1504504  595161404312012 2    311715 2      C-13-H3C(O)CH3
  301839.5700  0.0383 -6.9056 3  814.1887904  595161404562531 2    552828 2      C-13-H3C(O)CH3
  301841.3145  0.0383 -6.9056 3  814.1886904  595161404562631 2    552728 2      C-13-H3C(O)CH3
  301859.8518  0.3799 -6.7826 3 1840.6238C88  595161404805724 2    805625 2      C-13-H3C(O)CH3
  301881.2924  0.4155 -6.7827 3 1840.6552C88  595161404805723 2    805624 2      C-13-H3C(O)CH3
  301923.0817  0.0076 -4.5832 3  311.9962648  59516140440 535 0    40 436 0      C-13-H3C(O)CH3
  301923.0817  0.0076 -4.9166 3  311.9962648  59516140440 635 0    40 436 0      C-13-H3C(O)CH3
  301923.1651  0.0076 -4.5832 3  311.9962648 -59516140440 635 0    40 536 0      C-13-H3C(O)CH3
  301923.1651  0.0076 -4.9166 3  311.9962648 -59516140440 535 0    40 536 0      C-13-H3C(O)CH3
  301940.2336  0.0144 -5.8614 3  264.2630308  59516140438 435 3    38 236 3      C-13-H3C(O)CH3
  301940.2336  0.0144 -4.8764 3  264.2630308  59516140438 335 3    38 236 3      C-13-H3C(O)CH3
  301940.2336  0.0144 -4.8764 3  264.2630308  59516140438 435 3    38 336 3      C-13-H3C(O)CH3
  301940.2336  0.0144 -5.8614 3  264.2630308  59516140438 335 3    38 336 3      C-13-H3C(O)CH3
  301940.3227  0.0153 -4.8518 3  264.2631308  59516140438 435 4    38 336 4      C-13-H3C(O)CH3
  301940.3227  0.0153 -6.2216 3  264.2631308  59516140438 435 4    38 236 4      C-13-H3C(O)CH3
  301940.3227  0.0153 -6.2216 3  264.2631308  59516140438 335 4    38 336 4      C-13-H3C(O)CH3
  301940.3227  0.0153 -4.8518 3  264.2631308  59516140438 335 4    38 236 4      C-13-H3C(O)CH3
  301981.8578  0.4819 -6.7824 3 1840.6504C88  595161404805723 0    805624 0      C-13-H3C(O)CH3
  301981.9177  0.4819 -6.7824 3 1840.6504C88  595161404805724 0    805625 0      C-13-H3C(O)CH3
  302004.4351  0.0110 -4.6737 3  287.8197632  59516140439 435 2    39 336 2      C-13-H3C(O)CH3
  302004.4351  0.0110 -4.6737 3  287.8197632  59516140439 535 2    39 436 2      C-13-H3C(O)CH3
  302004.4351  0.0110 -4.8711 3  287.8197632  59516140439 535 2    39 336 2      C-13-H3C(O)CH3
  302004.4351  0.0110 -4.8711 3  287.8197632  59516140439 435 2    39 436 2      C-13-H3C(O)CH3
  302005.5688  0.0121 -4.6147 3  287.8202632  59516140439 535 1    39 436 1      C-13-H3C(O)CH3
  302005.5688  0.0121 -4.6147 3  287.8202632  59516140439 435 1    39 336 1      C-13-H3C(O)CH3
  302005.5811  0.0121 -4.9846 3  287.8202632 -59516140439 435 1    39 436 1      C-13-H3C(O)CH3
  302005.5811  0.0121 -4.9846 3  287.8202632 -59516140439 535 1    39 336 1      C-13-H3C(O)CH3
  302012.5428  0.0124 -4.4514 3   76.8716140 -5951614041712 6 4    1611 5 4      C-13-H3C(O)CH3
  302012.5842  0.0194 -6.0029 3  292.7725520  5951614043223 9 1    322012 1      C-13-H3C(O)CH3
  302088.9338  0.0112 -5.9574 3   36.7057200  5951614041210 3 1    11 7 4 1      C-13-H3C(O)CH3
  302094.5593  0.0869 -6.0157 3 1149.0468492  5951614046152 9 4    615110 4      C-13-H3C(O)CH3
  302114.3636  0.0228 -5.8109 3  218.8078228  595161404281910 4    2720 7 4      C-13-H3C(O)CH3
  302117.1092  0.0290 -6.3018 3  292.7483260  5951614043223 9 3    322012 3      C-13-H3C(O)CH3
  302123.8033  0.0725 -5.7146 3 1149.0220984  5951614046152 9 2    615110 2      C-13-H3C(O)CH3
  302139.5786  0.0278 -6.3086 3  292.7476260  5951614043223 9 4    322012 4      C-13-H3C(O)CH3
  302146.7987  0.1719 -6.5939 3 1621.0845628  595161404783939 4    783840 4      C-13-H3C(O)CH3
  302146.8656  0.1719 -6.5939 3 1621.0845628  595161404783939 3    783840 3      C-13-H3C(O)CH3
  302146.9352  0.1718 -6.5939 3 1621.0845628  595161404784039 4    783940 4      C-13-H3C(O)CH3
  302147.0022  0.1718 -6.5939 3 1621.0845628  595161404784039 3    783940 3      C-13-H3C(O)CH3
  302158.0122  0.0763 -6.0157 3 1149.0239492  5951614046152 9 3    615110 3      C-13-H3C(O)CH3
  302165.0078  0.0215 -5.5855 3  202.1710220  5951614042718 9 4    2619 8 4      C-13-H3C(O)CH3
  302176.8996  0.0179 -6.9816 3  241.2832300  59516140437 335 3    37 136 3      C-13-H3C(O)CH3
  302176.8996  0.0179 -4.9611 3  241.2832300  59516140437 235 3    37 136 3      C-13-H3C(O)CH3
  302176.8996  0.0179 -4.9611 3  241.2832300  59516140437 335 3    37 236 3      C-13-H3C(O)CH3
  302176.8996  0.0179 -6.9816 3  241.2832300  59516140437 235 3    37 236 3      C-13-H3C(O)CH3
  302177.2733  0.0188 -5.4129 3  241.2833300  59516140437 335 4    37 136 4      C-13-H3C(O)CH3
  302177.2733  0.0188 -5.1440 3  241.2833300  59516140437 235 4    37 136 4      C-13-H3C(O)CH3
  302177.2733  0.0188 -5.4129 3  241.2833300  59516140437 235 4    37 236 4      C-13-H3C(O)CH3
  302177.2733  0.0188 -5.1440 3  241.2833300  59516140437 335 4    37 236 4      C-13-H3C(O)CH3
  302177.6971  0.1834 -6.2927 3 1621.0744C56  595161404783939 1    783840 1      C-13-H3C(O)CH3
  302177.8374  0.1834 -6.2927 3 1621.0744C56  595161404784039 1    783940 1      C-13-H3C(O)CH3
  302180.6686  0.0330 -5.3234 3 1086.4826A48  595161404652837 0    652738 0      C-13-H3C(O)CH3
  302180.6686  0.0330 -5.3234 3 1086.4826A48  595161404652937 0    652838 0      C-13-H3C(O)CH3
  302181.2088  0.1772 -6.2928 3 1621.0776C56  595161404783939 2    783840 2      C-13-H3C(O)CH3
  302181.3244  0.1772 -6.2928 3 1621.0776C56  595161404784039 2    783940 2      C-13-H3C(O)CH3
  302191.4713  0.0345 -5.3234 3 1086.4978A48  595161404652837 1    652738 1      C-13-H3C(O)CH3
  302191.4713  0.0345 -5.3234 3 1086.4978A48  595161404652937 1    652838 1      C-13-H3C(O)CH3
  302196.0610  0.0399 -5.3235 3 1086.4990A48  595161404652837 2    652738 2      C-13-H3C(O)CH3
  302196.0610  0.0399 -5.3234 3 1086.4990A48  595161404652937 2    652838 2      C-13-H3C(O)CH3
  302206.9176  0.0403 -5.6243 3 1086.5143524  595161404652837 3    652738 3      C-13-H3C(O)CH3
  302206.9176  0.0403 -5.6243 3 1086.5143524  595161404652937 3    652838 3      C-13-H3C(O)CH3
  302206.9892  0.0404 -5.6243 3 1086.5143524  595161404652837 4    652738 4      C-13-H3C(O)CH3
  302206.9893  0.0404 -5.6243 3 1086.5143524  595161404652937 4    652838 4      C-13-H3C(O)CH3
  302211.9862  0.1849 -6.2926 3 1621.0676C56  595161404783939 0    783840 0      C-13-H3C(O)CH3
  302212.1051  0.1850 -6.2926 3 1621.0676C56  595161404784039 0    783940 0      C-13-H3C(O)CH3
  302221.3633  0.0773 -6.0155 3 1149.0134492  595161404615210 3    615111 3      C-13-H3C(O)CH3
  302242.0796  0.0207 -6.5923 3  183.3544204  5951614042520 5 4    2517 8 4      C-13-H3C(O)CH3
  302244.9196  0.0281 -5.5676 3  465.3336664  595161404412516 2    412219 2      C-13-H3C(O)CH3
  302250.1934  0.0663 -5.7144 3 1148.9886984  595161404615210 2    615111 2      C-13-H3C(O)CH3
  302250.5493  0.0688 -5.7144 3 1149.0220984  5951614046152 9 1    615110 1      C-13-H3C(O)CH3
  302278.8527  0.0621 -5.7143 3 1148.9971984  595161404615210 0    615111 0      C-13-H3C(O)CH3
  302278.8527  0.0621 -5.7143 3 1148.9971984  5951614046152 9 0    615110 0      C-13-H3C(O)CH3
  302284.5668  0.0832 -6.0154 3 1148.9905492  595161404615210 4    615111 4      C-13-H3C(O)CH3
  302289.0119  0.0318 -5.8677 3  465.3115332  595161404412516 3    412219 3      C-13-H3C(O)CH3
  302294.8231  0.0297 -5.8678 3  465.3115332  595161404412516 4    412219 4      C-13-H3C(O)CH3
  302313.2509  0.0628 -5.7143 3 1148.9991984  595161404615210 1    615111 1      C-13-H3C(O)CH3
  302313.8775  0.0345 -6.5056 3  412.6411584  5951614043633 3 1    3534 1 1      C-13-H3C(O)CH3
  302317.0614  0.0146 -6.3430 3  183.3567408  5951614042520 5 1    2517 8 1      C-13-H3C(O)CH3
  302330.2357  0.0103 -4.9733 3  287.8013632  59516140439 535 0    39 436 0      C-13-H3C(O)CH3
  302330.2357  0.0103 -4.9733 3  287.8013632  59516140439 435 0    39 336 0      C-13-H3C(O)CH3
  302330.2357  0.0103 -4.6178 3  287.8013632  59516140439 435 0    39 436 0      C-13-H3C(O)CH3
  302330.2357  0.0103 -4.6178 3  287.8013632  59516140439 535 0    39 336 0      C-13-H3C(O)CH3
  302331.8047  0.0157 -6.4799 3  264.2299616  59516140438 335 2    38 236 2      C-13-H3C(O)CH3
  302331.8047  0.0157 -4.5360 3  264.2299616  59516140438 335 2    38 336 2      C-13-H3C(O)CH3
  302331.8047  0.0157 -4.5360 3  264.2299616  59516140438 435 2    38 236 2      C-13-H3C(O)CH3
  302331.8047  0.0157 -6.4799 3  264.2299616  59516140438 435 2    38 336 2      C-13-H3C(O)CH3
  302332.6908  0.0169 -5.5810 3  264.2303616  59516140438 435 1    38 336 1      C-13-H3C(O)CH3
  302332.6908  0.0169 -4.5718 3  264.2303616  59516140438 435 1    38 236 1      C-13-H3C(O)CH3
  302332.6908  0.0169 -4.5718 3  264.2303616  59516140438 335 1    38 336 1      C-13-H3C(O)CH3
  302332.6908  0.0169 -5.5810 3  264.2303616  59516140438 335 1    38 236 1      C-13-H3C(O)CH3
  302378.6711  0.0903 -6.1171 3 1363.3346580  595161404723438 4    723339 4      C-13-H3C(O)CH3
  302378.6743  0.0903 -6.1171 3 1363.3346580  595161404723538 4    723439 4      C-13-H3C(O)CH3
  302378.6924  0.0903 -6.1171 3 1363.3346580  595161404723438 3    723339 3      C-13-H3C(O)CH3
  302378.6957  0.0903 -6.1171 3 1363.3346580  595161404723538 3    723439 3      C-13-H3C(O)CH3
  302390.2006  0.0223 -5.3346 3  218.9002292  59516140436 135 3    36 036 3      C-13-H3C(O)CH3
  302390.2006  0.0223 -5.7980 3  218.9002292  59516140436 235 3    36 036 3      C-13-H3C(O)CH3
  302390.2006  0.0223 -5.7980 3  218.9002292  59516140436 135 3    36 136 3      C-13-H3C(O)CH3
  302390.2006  0.0223 -5.3346 3  218.9002292  59516140436 235 3    36 136 3      C-13-H3C(O)CH3
  302390.9654  0.0232 -6.9241 3  218.9002292  59516140436 135 4    36 136 4      C-13-H3C(O)CH3
  302390.9654  0.0232 -5.2146 3  218.9002292  59516140436 135 4    36 036 4      C-13-H3C(O)CH3
  302390.9654  0.0232 -5.2146 3  218.9002292  59516140436 235 4    36 136 4      C-13-H3C(O)CH3
  302390.9654  0.0232 -6.9241 3  218.9002292  59516140436 235 4    36 036 4      C-13-H3C(O)CH3
  302401.3941  0.0913 -5.8160 3 1363.3159B60  595161404723438 1    723339 1      C-13-H3C(O)CH3
  302401.3973  0.0913 -5.8160 3 1363.3159B60  595161404723538 1    723439 1      C-13-H3C(O)CH3
  302405.8268  0.0913 -5.8161 3 1363.3185B60  595161404723438 2    723339 2      C-13-H3C(O)CH3
  302405.8293  0.0913 -5.8161 3 1363.3185B60  595161404723538 2    723439 2      C-13-H3C(O)CH3
  302427.0383  0.0159 -5.7953 3  292.7848520  5951614043223 9 0    322012 0      C-13-H3C(O)CH3
  302428.5271  0.0918 -5.8158 3 1363.2998B60  595161404723438 0    723339 0      C-13-H3C(O)CH3
  302428.5296  0.0918 -5.8158 3 1363.2998B60  595161404723538 0    723439 0      C-13-H3C(O)CH3
  302434.0317  0.2940 -6.7233 3 1849.4670D36  595161404834340 1    834241 1      C-13-H3C(O)CH3
  302434.7207  0.0381 -6.8075 3  412.6107292  5951614043633 3 4    3534 1 4      C-13-H3C(O)CH3
  302435.7735  0.2942 -6.7233 3 1849.4670D36  595161404834440 1    834341 1      C-13-H3C(O)CH3
  302437.3613  0.0125 -5.9549 3   36.7021200  5951614041210 3 2    11 7 4 2      C-13-H3C(O)CH3
  302438.4719  0.2887 -6.7233 3 1849.4697D36  595161404834340 2    834241 2      C-13-H3C(O)CH3
  302439.9509  0.2885 -6.7233 3 1849.4697D36  595161404834440 2    834341 2      C-13-H3C(O)CH3
  302459.1630  0.2958 -6.7232 3 1849.4695D36  595161404834340 0    834241 0      C-13-H3C(O)CH3
  302460.7157  0.2960 -6.7232 3 1849.4695D36  595161404834440 0    834341 0      C-13-H3C(O)CH3
  302462.6600  0.0102 -4.7873 3  735.1793888  595161404552036 0    551937 0      C-13-H3C(O)CH3
  302462.6600  0.0102 -6.1206 3  735.1793888  595161404552036 0    551837 0      C-13-H3C(O)CH3
  302462.6600  0.0102 -4.7705 3  735.1793888  595161404551936 0    551837 0      C-13-H3C(O)CH3
  302462.6600  0.0102 -5.8539 3  735.1793888  595161404551936 0    551937 0      C-13-H3C(O)CH3
  302465.0112  0.0176 -5.5702 3  465.3614664  595161404412516 0    412219 0      C-13-H3C(O)CH3
  302476.0523  0.0037 -6.4448 3  153.5537252  59516140431 031 4    30 130 4      C-13-H3C(O)CH3
  302476.0523  0.0037 -6.4448 3  153.5537252  59516140431 131 4    30 030 4      C-13-H3C(O)CH3
  302476.0550  0.0037 -4.2096 3  153.5537252  59516140431 131 3    30 030 3      C-13-H3C(O)CH3
  302476.0550  0.0037 -4.2096 3  153.5537252  59516140431 031 3    30 130 3      C-13-H3C(O)CH3
  302476.0961  0.0037 -3.8233 3  153.5537252 -59516140431 131 3    30 130 3      C-13-H3C(O)CH3
  302476.0961  0.0037 -3.8233 3  153.5537252 -59516140431 031 3    30 030 3      C-13-H3C(O)CH3
  302476.0961  0.0037 -3.6746 3  153.5537252 -59516140431 031 4    30 030 4      C-13-H3C(O)CH3
  302476.0961  0.0037 -3.6746 3  153.5537252 -59516140431 131 4    30 130 4      C-13-H3C(O)CH3
  302481.5184  0.0042 -3.3781 3  153.4847504  59516140431 031 1    30 130 1      C-13-H3C(O)CH3
  302481.5184  0.0042 -5.2771 3  153.4847504  59516140431 131 1    30 130 1      C-13-H3C(O)CH3
  302481.6470  0.0040 -6.3659 3  153.4843504  59516140431 031 2    30 130 2      C-13-H3C(O)CH3
  302481.6470  0.0040 -6.3659 3  153.4843504  59516140431 131 2    30 030 2      C-13-H3C(O)CH3
  302481.6493  0.0042 -3.3781 3  153.4847504 -59516140431 131 1    30 030 1      C-13-H3C(O)CH3
  302481.6493  0.0040 -3.3731 3  153.4843504 -59516140431 031 2    30 030 2      C-13-H3C(O)CH3
  302481.6493  0.0040 -3.3731 3  153.4843504 -59516140431 131 2    30 130 2      C-13-H3C(O)CH3
  302481.6493  0.0042 -5.2771 3  153.4847504 -59516140431 031 1    30 030 1      C-13-H3C(O)CH3
  302487.0913  0.0037 -3.3730 3  153.4154504  59516140431 131 0    30 030 0      C-13-H3C(O)CH3
  302487.0913  0.0037 -3.3730 3  153.4154504  59516140431 031 0    30 130 0      C-13-H3C(O)CH3
  302487.1889  0.0037 -6.2887 3  153.4154504 -59516140431 131 0    30 130 0      C-13-H3C(O)CH3
  302487.1889  0.0037 -6.2887 3  153.4154504 -59516140431 031 0    30 030 0      C-13-H3C(O)CH3
  302503.9890  0.0016 -4.1316 3  121.9319180 -595161404221012 3    211111 3      C-13-H3C(O)CH3
  302504.8256  0.0016 -4.1316 3  121.9319180 -595161404221012 4    211111 4      C-13-H3C(O)CH3
  302508.6326  0.0189 -5.5694 3  465.3394664  595161404412516 1    412219 1      C-13-H3C(O)CH3
  302514.4736  0.0562 -5.6420 3  973.9907888  5951614045551 4 0    5550 5 0      C-13-H3C(O)CH3
  302514.4736  0.0562 -5.6420 3  973.9907888  5951614045551 5 0    5550 6 0      C-13-H3C(O)CH3
  302518.0522  0.0331 -6.5040 3  412.6485584  5951614043633 4 0    3534 2 0      C-13-H3C(O)CH3
  302518.0522  0.0331 -6.5040 3  412.6485584  5951614043633 3 0    3534 1 0      C-13-H3C(O)CH3
  302521.8387  0.0140 -5.3825 3  218.8151456  595161404281910 1    2720 7 1      C-13-H3C(O)CH3
  302532.2814  0.0118 -6.2475 3  735.1666888  595161404551936 1    551837 1      C-13-H3C(O)CH3
  302532.2814  0.0118 -4.7653 3  735.1666888  595161404551936 1    551937 1      C-13-H3C(O)CH3
  302532.2814  0.0118 -6.2475 3  735.1666888  595161404552036 1    551937 1      C-13-H3C(O)CH3
  302532.2814  0.0118 -4.7653 3  735.1666888  595161404552036 1    551837 1      C-13-H3C(O)CH3
  302533.3418  0.0132 -4.7575 3  735.1662888  595161404551936 2    551837 2      C-13-H3C(O)CH3
  302533.3418  0.0132 -6.5984 3  735.1662888  595161404551936 2    551937 2      C-13-H3C(O)CH3
  302533.3418  0.0132 -4.7575 3  735.1662888  595161404552036 2    551937 2      C-13-H3C(O)CH3
  302533.3418  0.0132 -6.5984 3  735.1662888  595161404552036 2    551837 2      C-13-H3C(O)CH3
  302538.7569  0.0684 -5.6419 3  974.0041888  5951614045551 5 2    5550 6 2      C-13-H3C(O)CH3
  302549.3721  0.0181 -5.7963 3  292.7603520  5951614043223 9 2    322012 2      C-13-H3C(O)CH3
  302552.1710  0.0073 -6.9490 3  121.9176172  5951614042115 6 3    211011 3      C-13-H3C(O)CH3
  302554.5547  0.0116 -6.0928 3   36.7572100  5951614041210 3 3    11 7 4 3      C-13-H3C(O)CH3
  302558.9279  0.0143 -5.2615 3  218.8196456  595161404281910 2    2720 7 2      C-13-H3C(O)CH3
  302598.9922  0.0017 -3.8306 3  121.9210360 -595161404221012 1    211111 1      C-13-H3C(O)CH3
  302602.2556  0.0017 -3.8310 3  121.9178360 -595161404221012 2    211111 2      C-13-H3C(O)CH3
  302602.9791  0.0138 -6.1954 3  183.3623408  5951614042520 5 0    2517 8 0      C-13-H3C(O)CH3
  302603.0618  0.0126 -5.4997 3  735.1535444  595161404552036 3    551837 3      C-13-H3C(O)CH3
  302603.0618  0.0126 -5.4997 3  735.1535444  595161404551936 3    551937 3      C-13-H3C(O)CH3
  302603.0618  0.0126 -5.2436 3  735.1535444  595161404551936 3    551837 3      C-13-H3C(O)CH3
  302603.0618  0.0126 -5.2436 3  735.1535444  595161404552036 3    551937 3      C-13-H3C(O)CH3
  302603.1898  0.0127 -5.2170 3  735.1534444  595161404552036 4    551837 4      C-13-H3C(O)CH3
  302603.1898  0.0127 -5.5521 3  735.1534444  595161404552036 4    551937 4      C-13-H3C(O)CH3
  302603.1898  0.0127 -5.7074 3  735.1534444  595161404551936 4    551837 4      C-13-H3C(O)CH3
  302603.1898  0.0127 -5.1605 3  735.1534444  595161404551936 4    551937 4      C-13-H3C(O)CH3
  302636.7858  0.0572 -5.6420 3  974.0260888  5951614045551 4 1    5550 5 1      C-13-H3C(O)CH3
  302638.5973  0.0337 -6.5048 3  412.6181584  5951614043633 3 2    3534 1 2      C-13-H3C(O)CH3
  302640.5466  0.0222 -5.2567 3  241.2336600  59516140437 335 2    37 136 2      C-13-H3C(O)CH3
  302640.5466  0.0222 -5.2567 3  241.2336600  59516140437 235 2    37 236 2      C-13-H3C(O)CH3
  302640.5466  0.0222 -4.7788 3  241.2336600  59516140437 235 2    37 136 2      C-13-H3C(O)CH3
  302640.5466  0.0222 -4.7788 3  241.2336600  59516140437 335 2    37 236 2      C-13-H3C(O)CH3
  302641.1706  0.0234 -5.1904 3  241.2340600  59516140437 235 1    37 236 1      C-13-H3C(O)CH3
  302641.1706  0.0234 -4.8036 3  241.2340600  59516140437 235 1    37 136 1      C-13-H3C(O)CH3
  302641.1706  0.0234 -5.1904 3  241.2340600  59516140437 335 1    37 136 1      C-13-H3C(O)CH3
  302641.1706  0.0234 -4.8036 3  241.2340600  59516140437 335 1    37 236 1      C-13-H3C(O)CH3
  302661.7497  0.0771 -5.9429 3  974.0392444  5951614045551 5 3    5550 6 3      C-13-H3C(O)CH3
  302683.2329  0.0639 -5.6418 3  974.0220888  5951614045551 5 1    5550 6 1      C-13-H3C(O)CH3
  302689.2911  0.0148 -6.3859 3  183.3547408  5951614042520 5 2    2517 8 2      C-13-H3C(O)CH3
  302697.0727  0.0016 -3.8310 3  121.9069360 -595161404221012 0    211111 0      C-13-H3C(O)CH3
  302707.3583  0.0920 -5.9427 3  974.0351444  5951614045551 5 4    5550 6 4      C-13-H3C(O)CH3
  302710.2494  0.0588 -5.6418 3  974.0084888  5951614045551 4 2    5550 5 2      C-13-H3C(O)CH3
  302723.3676  0.0148 -4.5639 3  264.1972616 -59516140438 435 0    38 336 0      C-13-H3C(O)CH3
  302723.3676  0.0148 -4.5712 3  264.1972616 -59516140438 335 0    38 236 0      C-13-H3C(O)CH3
  302723.4102  0.0148 -5.5698 3  264.1972616  59516140438 335 0    38 336 0      C-13-H3C(O)CH3
  302723.4102  0.0148 -5.6502 3  264.1972616  59516140438 435 0    38 236 0      C-13-H3C(O)CH3
  302728.5524  0.0380 -6.5041 3  412.5803584  5951614043633 4 1    3534 2 1      C-13-H3C(O)CH3
  302796.0984  0.0105 -6.5118 3   36.7572100  5951614041210 2 3    11 7 4 3      C-13-H3C(O)CH3
  302825.2441  0.0386 -6.8051 3  412.5735292  5951614043633 3 3    3534 1 3      C-13-H3C(O)CH3
  302833.9265  0.0730 -5.9428 3  974.0435444  5951614045551 4 4    5550 5 4      C-13-H3C(O)CH3
  302846.9778  0.0073 -4.8984 3  218.8277456  595161404281910 0    2720 7 0      C-13-H3C(O)CH3
  302848.9499  0.0385 -6.8059 3  412.5500292  5951614043633 4 3    3534 2 3      C-13-H3C(O)CH3
  302871.9594  0.0144 -6.5908 3   71.0551264  5951614041613 3 2    1512 4 2      C-13-H3C(O)CH3
  302879.8679  0.0776 -5.9426 3  974.0395444  5951614045551 4 3    5550 5 3      C-13-H3C(O)CH3
  302919.7770  0.0265 -6.1270 3  382.8670568  5951614043531 4 1    3432 2 1      C-13-H3C(O)CH3
  302931.7162  0.0305 -4.9033 3  218.8318584  59516140436 235 2    36 036 2      C-13-H3C(O)CH3
  302931.7162  0.0305 -4.9061 3  218.8318584  59516140436 135 2    36 136 2      C-13-H3C(O)CH3
  302932.0751  0.0318 -6.7737 3  218.8322584  59516140436 235 1    36 136 1      C-13-H3C(O)CH3
  302932.0751  0.0318 -6.7737 3  218.8322584  59516140436 135 1    36 036 1      C-13-H3C(O)CH3
  302932.0751  0.0318 -4.9091 3  218.8322584  59516140436 235 1    36 036 1      C-13-H3C(O)CH3
  302932.0751  0.0318 -4.9091 3  218.8322584  59516140436 135 1    36 136 1      C-13-H3C(O)CH3
  302952.2840  0.1934 -6.6033 3 1563.0037588  595161404735518 3    735419 3      C-13-H3C(O)CH3
  302953.1358  0.0037 -6.9479 3  140.7562188  595161404231310 4    2214 8 4      C-13-H3C(O)CH3
  302968.8667  0.2390 -6.6034 3 1563.0514588  595161404735518 4    735419 4      C-13-H3C(O)CH3
  302982.8742  0.0017 -4.0412 3  128.6709188 -59516140423 914 4    221013 4      C-13-H3C(O)CH3
  302982.8742  0.0016 -4.0412 3  128.6709188 -59516140423 914 3    221013 3      C-13-H3C(O)CH3
  302992.5522  0.0017 -4.0412 3  128.6706188 -595161404231014 4    22 913 4      C-13-H3C(O)CH3
  302992.5522  0.0016 -4.0412 3  128.6706188 -595161404231014 3    22 913 3      C-13-H3C(O)CH3
  303005.7824  0.0268 -6.1258 3  382.8910568  5951614043531 4 0    3432 3 0      C-13-H3C(O)CH3
  303005.7824  0.0268 -6.1258 3  382.8910568  5951614043531 5 0    3432 2 0      C-13-H3C(O)CH3
  303021.0704  0.1635 -6.6031 3 1562.9500588  595161404735519 4    735420 4      C-13-H3C(O)CH3
  303028.5224  0.0351 -6.5024 3  412.5809584  5951614043633 4 2    3534 2 2      C-13-H3C(O)CH3
  303037.7478  0.2096 -6.6032 3 1562.9977588  595161404735519 3    735420 3      C-13-H3C(O)CH3
  303038.7706  0.0015 -4.1297 3  121.9177180 -595161404221112 4    211011 4      C-13-H3C(O)CH3
  303040.9054  0.0016 -4.1297 3  121.9176180  595161404221112 3    211011 3      C-13-H3C(O)CH3
  303066.5542  0.0018 -3.7401 3  128.6607376 -59516140423 914 1    221013 1      C-13-H3C(O)CH3
  303070.2265  0.0145 -6.6751 3   71.0455264  5951614041613 3 1    1512 4 1      C-13-H3C(O)CH3
  303071.3624  0.0018 -3.7403 3  128.6584376 -59516140423 914 2    221013 2      C-13-H3C(O)CH3
  303076.2728  0.0018 -3.7401 3  128.6604376 -595161404231014 1    22 913 1      C-13-H3C(O)CH3
  303081.4255  0.0018 -3.7403 3  128.6581376 -595161404231014 2    22 913 2      C-13-H3C(O)CH3
  303102.6036  0.0177 -5.5180 3  218.7811228  595161404281910 3    2720 7 3      C-13-H3C(O)CH3
  303103.7369  0.0212 -5.4918 3  241.1845600  59516140437 335 0    37 136 0      C-13-H3C(O)CH3
  303103.7369  0.0212 -4.7203 3  241.1845600  59516140437 235 0    37 136 0      C-13-H3C(O)CH3
  303103.7369  0.0212 -5.4918 3  241.1845600  59516140437 235 0    37 236 0      C-13-H3C(O)CH3
  303103.7369  0.0212 -4.7203 3  241.1845600  59516140437 335 0    37 236 0      C-13-H3C(O)CH3
  303123.5662  0.0096 -6.5485 3   30.9791 92  5951614041110 2 4    10 7 4 4      C-13-H3C(O)CH3
  303138.7431  0.0017 -3.8287 3  121.9067360 -595161404221112 1    211011 1      C-13-H3C(O)CH3
  303140.1760  0.1982 -6.3020 3 1563.0273B76  595161404735518 1    735419 1      C-13-H3C(O)CH3
  303154.7860  0.0017 -3.7402 3  128.6483376 -59516140423 914 0    221013 0      C-13-H3C(O)CH3
  303157.1097  0.0017 -3.8290 3  121.9031360 -595161404221112 2    211011 2      C-13-H3C(O)CH3
  303164.7503  0.0285 -6.4282 3  382.8291284  5951614043531 4 4    3432 2 4      C-13-H3C(O)CH3
  303164.8460  0.0017 -3.7402 3  128.6480376 -595161404231014 0    22 913 0      C-13-H3C(O)CH3
  303182.0629  0.0069 -3.9770 3   76.8337280 -5951614041712 6 1    1611 5 1      C-13-H3C(O)CH3
  303189.4300  0.0571 -6.9806 3  684.5276808  595161404502922 1    493217 1      C-13-H3C(O)CH3
  303209.1164  0.1710 -6.3017 3 1562.9736B76  595161404735519 1    735420 1      C-13-H3C(O)CH3
  303211.4033  0.1631 -6.3017 3 1562.9804B76  595161404735519 2    735420 2      C-13-H3C(O)CH3
  303223.5749  0.1204 -6.1724 3 1279.0071524  595161404655312 4    655213 4      C-13-H3C(O)CH3
  303227.5602  0.0094 -4.7027 3  702.1965872  595161404541836 0    541837 0      C-13-H3C(O)CH3
  303227.5602  0.0094 -4.9786 3  702.1965872  595161404541936 0    541737 0      C-13-H3C(O)CH3
  303227.5602  0.0094 -5.0303 3  702.1965872  595161404541836 0    541737 0      C-13-H3C(O)CH3
  303227.9107  0.2081 -6.3018 3 1563.0282B76  595161404735518 2    735419 2      C-13-H3C(O)CH3
  303235.7939  0.0437 -6.8035 3  412.5128292  5951614043633 4 4    3534 2 4      C-13-H3C(O)CH3
  303250.5359  0.0264 -6.1259 3  382.8530568  5951614043531 4 2    3432 2 2      C-13-H3C(O)CH3
  303255.2976  0.0016 -3.8290 3  121.8921360 -595161404221112 0    211011 0      C-13-H3C(O)CH3
  303293.6129  0.0296 -6.1254 3  382.8218568  5951614043531 5 1    3432 3 1      C-13-H3C(O)CH3
  303297.5713  0.0109 -4.7866 3  702.1801872  595161404541936 1    541737 1      C-13-H3C(O)CH3
  303297.5713  0.0109 -5.4561 3  702.1801872  595161404541936 1    541837 1      C-13-H3C(O)CH3
  303297.5713  0.0109 -5.4561 3  702.1801872  595161404541836 1    541737 1      C-13-H3C(O)CH3
  303297.5713  0.0109 -4.7866 3  702.1801872  595161404541836 1    541837 1      C-13-H3C(O)CH3
  303298.1838  0.0118 -5.8532 3  702.1797872  595161404541836 2    541737 2      C-13-H3C(O)CH3
  303298.1838  0.0118 -4.7342 3  702.1797872  595161404541936 2    541737 2      C-13-H3C(O)CH3
  303298.1838  0.0118 -4.7342 3  702.1797872  595161404541836 2    541837 2      C-13-H3C(O)CH3
  303298.1838  0.0118 -5.8532 3  702.1797872  595161404541936 2    541837 2      C-13-H3C(O)CH3
  303299.9447  0.0976 -6.1722 3 1278.9606524  595161404655313 3    655214 3      C-13-H3C(O)CH3
  303317.3133  0.1075 -6.1722 3 1278.9693524  595161404655312 3    655213 3      C-13-H3C(O)CH3
  303325.0146  0.0172 -6.5824 3  183.2323204  5951614042520 6 4    2517 9 4      C-13-H3C(O)CH3
  303355.4209  0.1001 -5.8711 3 1278.9837A48  595161404655312 2    655213 2      C-13-H3C(O)CH3
  303360.5376  0.0110 -5.1432 3  218.7928456  595161404281910 2    2720 8 2      C-13-H3C(O)CH3
  303368.2931  0.0116 -5.4523 3  702.1632436  595161404541936 3    541837 3      C-13-H3C(O)CH3
  303368.2931  0.0116 -5.1939 3  702.1632436  595161404541936 3    541737 3      C-13-H3C(O)CH3
  303368.2931  0.0116 -5.1939 3  702.1632436  595161404541836 3    541837 3      C-13-H3C(O)CH3
  303368.2931  0.0116 -5.4523 3  702.1632436  595161404541836 3    541737 3      C-13-H3C(O)CH3
  303368.4043  0.0116 -5.0098 3  702.1632436  595161404541836 4    541737 4      C-13-H3C(O)CH3
  303368.4043  0.0116 -6.8210 3  702.1632436  595161404541936 4    541737 4      C-13-H3C(O)CH3
  303368.4043  0.0116 -6.8210 3  702.1632436  595161404541836 4    541837 4      C-13-H3C(O)CH3
  303368.4043  0.0116 -5.0098 3  702.1632436  595161404541936 4    541837 4      C-13-H3C(O)CH3
  303376.2973  0.0064 -6.6277 3  121.8921344  5951614042115 6 0    211011 0      C-13-H3C(O)CH3
  303388.8812  0.0093 -6.7700 3  121.9067344  5951614042115 6 1    211011 1      C-13-H3C(O)CH3
  303390.8112  0.0605 -6.8399 3  586.4374744  595161404462818 0    453115 0      C-13-H3C(O)CH3
  303393.4121  0.1045 -6.1720 3 1278.9228524  595161404655313 4    655214 4      C-13-H3C(O)CH3
  303397.3314  0.0280 -5.2545 3 1047.7432A32  595161404642837 0    642738 0      C-13-H3C(O)CH3
  303397.3314  0.0280 -5.2545 3 1047.7432A32  595161404642737 0    642638 0      C-13-H3C(O)CH3
  303399.1810  0.1874 -6.3014 3 1563.0041B76  595161404735518 0    735419 0      C-13-H3C(O)CH3
  303399.1812  0.1874 -6.3014 3 1563.0041B76  595161404735519 0    735420 0      C-13-H3C(O)CH3
  303405.4831  0.0293 -6.4262 3  382.8076284  5951614043531 4 3    3432 2 3      C-13-H3C(O)CH3
  303405.6481  0.0075 -6.0315 3  229.8899236  595161404291812 4    291515 4      C-13-H3C(O)CH3
  303407.4961  0.0065 -3.9479 3   76.8308280 -5951614041712 6 2    1611 5 2      C-13-H3C(O)CH3
  303408.9892  0.0041 -4.1691 3   76.8554140 -5951614041712 6 3    1611 5 3      C-13-H3C(O)CH3
  303413.7025  0.0071 -6.0315 3  229.8899236  595161404291812 3    291515 3      C-13-H3C(O)CH3
  303416.2172  0.0298 -5.2548 3 1047.7567A32  595161404642837 1    642738 1      C-13-H3C(O)CH3
  303416.2172  0.0298 -5.2548 3 1047.7567A32  595161404642737 1    642638 1      C-13-H3C(O)CH3
  303420.6139  0.0353 -5.2544 3 1047.7578A32  595161404642737 2    642638 2      C-13-H3C(O)CH3
  303420.6139  0.0353 -5.2544 3 1047.7578A32  595161404642837 2    642738 2      C-13-H3C(O)CH3
  303422.1089  0.0910 -5.8710 3 1278.9781A48  595161404655312 1    655213 1      C-13-H3C(O)CH3
  303426.9893  0.0074 -5.7293 3  229.9073472  595161404291812 1    291515 1      C-13-H3C(O)CH3
  303431.6510  0.0798 -5.8709 3 1278.9373A48  595161404655313 2    655214 2      C-13-H3C(O)CH3
  303439.1466  0.0074 -5.7290 3  229.9032472  595161404291812 2    291515 2      C-13-H3C(O)CH3
  303439.5610  0.0354 -5.5554 3 1047.7714516  595161404642837 3    642738 3      C-13-H3C(O)CH3
  303439.5610  0.0354 -5.5554 3 1047.7714516  595161404642737 3    642638 3      C-13-H3C(O)CH3
  303439.6484  0.0355 -5.5554 3 1047.7714516  595161404642737 4    642638 4      C-13-H3C(O)CH3
  303439.6484  0.0355 -5.5554 3 1047.7714516  595161404642837 4    642738 4      C-13-H3C(O)CH3
  303441.4637  0.0093 -6.7461 3  121.9031344  5951614042115 6 2    211011 2      C-13-H3C(O)CH3
  303445.1833  0.0134 -5.4800 3  218.7697228  595161404281910 3    2720 8 3      C-13-H3C(O)CH3
  303454.4073  0.0075 -5.7277 3  229.9206472  595161404291812 0    291515 0      C-13-H3C(O)CH3
  303472.2344  0.0296 -4.9990 3  218.7640584  59516140436 235 0    36 036 0      C-13-H3C(O)CH3
  303472.2344  0.0296 -5.5959 3  218.7640584  59516140436 135 0    36 036 0      C-13-H3C(O)CH3
  303472.2344  0.0296 -5.5959 3  218.7640584  59516140436 235 0    36 136 0      C-13-H3C(O)CH3
  303472.2344  0.0296 -4.9990 3  218.7640584  59516140436 135 0    36 136 0      C-13-H3C(O)CH3
  303492.1567  0.0273 -6.1240 3  382.8314568  5951614043531 5 2    3432 3 2      C-13-H3C(O)CH3
  303515.3919  0.0824 -5.8708 3 1278.9403A48  595161404655313 1    655214 1      C-13-H3C(O)CH3
  303532.6572  0.0596 -5.6803 3  948.2199872  5951614045451 3 0    5450 4 0      C-13-H3C(O)CH3
  303532.6572  0.0596 -5.6803 3  948.2199872  5951614045451 4 0    5450 5 0      C-13-H3C(O)CH3
  303536.9698  0.0295 -6.4266 3  382.7839284  5951614043531 5 3    3432 3 3      C-13-H3C(O)CH3
  303553.2499  0.0718 -5.8707 3 1278.9547A48  595161404655313 0    655214 0      C-13-H3C(O)CH3
  303553.2499  0.0718 -5.8707 3 1278.9547A48  595161404655312 0    655213 0      C-13-H3C(O)CH3
  303559.5269  0.0704 -5.6950 3 1120.2739968  5951614046052 8 2    6051 9 2      C-13-H3C(O)CH3
  303560.4887  0.1726 -6.3709 3 1416.9948556  595161404695415 4    695316 4      C-13-H3C(O)CH3
  303568.9160  0.0842 -5.9961 3 1120.2990484  5951614046052 8 4    6051 9 4      C-13-H3C(O)CH3
  303584.7620  0.1310 -6.3707 3 1416.9439556  595161404695416 3    695317 3      C-13-H3C(O)CH3
  303612.3398  0.0760 -5.6801 3  948.2319872  5951614045451 4 2    5450 5 2      C-13-H3C(O)CH3
  303613.2182  0.0126 -6.1059 3  490.1627696  595161404432122 1    422419 1      C-13-H3C(O)CH3
  303616.6545  0.0730 -5.9961 3 1120.2808484  5951614046052 8 3    6051 9 3      C-13-H3C(O)CH3
  303625.0925  0.0136 -6.4055 3  490.1377348  595161404432122 3    422419 3      C-13-H3C(O)CH3
  303626.5352  0.0137 -6.4055 3  490.1377348  595161404432122 4    422419 4      C-13-H3C(O)CH3
  303656.5133  0.1527 -6.3706 3 1416.9463556  595161404695415 3    695316 3      C-13-H3C(O)CH3
  303658.9717  0.0108 -6.1051 3  490.1827696  595161404432122 0    422419 0      C-13-H3C(O)CH3
  303659.9044  0.0089 -5.0691 3  218.7772456  595161404281910 1    2720 8 1      C-13-H3C(O)CH3
  303661.5393  0.0627 -5.6803 3  948.2621872  5951614045451 3 1    5450 4 1      C-13-H3C(O)CH3
  303672.0467  0.0134 -6.1037 3  490.1577696  595161404432122 2    422419 2      C-13-H3C(O)CH3
  303680.5451  0.1270 -6.3705 3 1416.8955556  595161404695416 4    695317 4      C-13-H3C(O)CH3
  303688.0859  0.0636 -5.6948 3 1120.2518968  5951614046052 8 0    6051 9 0      C-13-H3C(O)CH3
  303688.0859  0.0636 -5.6948 3 1120.2518968  5951614046052 9 0    605110 0      C-13-H3C(O)CH3
  303698.3991  0.0672 -5.6948 3 1120.2770968  5951614046052 8 1    6051 9 1      C-13-H3C(O)CH3
  303702.7373  0.0654 -5.6948 3 1120.2461968  5951614046052 9 2    605110 2      C-13-H3C(O)CH3
  303705.4829  0.0017 -3.9738 3  134.7913196 -59516140424 916 3    23 815 3      C-13-H3C(O)CH3
  303705.4829  0.0017 -3.9739 3  134.7913196 -59516140424 916 4    23 815 4      C-13-H3C(O)CH3
  303705.4829  0.0017 -3.9739 3  134.7913196 -59516140424 816 4    23 915 4      C-13-H3C(O)CH3
  303705.4829  0.0017 -3.9739 3  134.7913196 -59516140424 816 3    23 915 3      C-13-H3C(O)CH3
  303712.6797  0.0754 -5.9959 3 1120.2713484  5951614046052 9 3    605110 3      C-13-H3C(O)CH3
  303741.1440  0.0700 -5.6800 3  948.2540872  5951614045451 4 1    5450 5 1      C-13-H3C(O)CH3
  303742.1983  0.0866 -5.9811 3  948.2740436  5951614045451 4 3    5450 5 3      C-13-H3C(O)CH3
  303745.2759  0.0613 -5.6948 3 1120.2588968  5951614046052 9 1    605110 1      C-13-H3C(O)CH3
  303760.1230  0.0803 -5.9958 3 1120.2531484  5951614046052 9 4    605110 4      C-13-H3C(O)CH3
  303760.7852  0.1290 -6.0694 3 1416.9659B12  595161404695415 1    695316 1      C-13-H3C(O)CH3
  303771.5593  0.0510 -6.9518 3  684.5156808  595161404502922 0    493217 0      C-13-H3C(O)CH3
  303771.8806  0.1441 -6.0694 3 1416.9718B12  595161404695415 2    695316 2      C-13-H3C(O)CH3
  303775.9418  0.0342 -6.4246 3  382.7623284  5951614043531 5 4    3432 3 4      C-13-H3C(O)CH3
  303778.6810  0.0653 -5.6800 3  948.2451872  5951614045451 3 2    5450 4 2      C-13-H3C(O)CH3
  303780.2922  0.0019 -3.6727 3  134.7805392 -59516140424 816 1    23 915 1      C-13-H3C(O)CH3
  303780.2922  0.0019 -3.6727 3  134.7805392 -59516140424 916 1    23 815 1      C-13-H3C(O)CH3
  303782.9700  0.0019 -3.6729 3  134.7789392 -59516140424 916 2    23 815 2      C-13-H3C(O)CH3
  303782.9700  0.0019 -3.6729 3  134.7789392 -59516140424 816 2    23 915 2      C-13-H3C(O)CH3
  303796.1503  0.1057 -6.0693 3 1416.9209B12  595161404695416 2    695317 2      C-13-H3C(O)CH3
  303796.6784  0.0392 -6.3899 3  396.1650308  595161404382216 3    372513 3      C-13-H3C(O)CH3
  303821.1597  0.1034 -5.9808 3  948.2658436  5951614045451 4 4    5450 5 4      C-13-H3C(O)CH3
  303836.2552  0.0325 -6.1091 3  396.1846616  595161404382216 2    372513 2      C-13-H3C(O)CH3
  303856.6240  0.1152 -6.0692 3 1416.9174B12  595161404695416 1    695317 1      C-13-H3C(O)CH3
  303857.5155  0.0017 -3.6728 3  134.7682392 -59516140424 916 0    23 815 0      C-13-H3C(O)CH3
  303857.5155  0.0017 -3.6728 3  134.7682392 -59516140424 816 0    23 915 0      C-13-H3C(O)CH3
  303896.7905  0.0219 -6.8112 3  329.2976552  595161404342411 1    342113 1      C-13-H3C(O)CH3
  303909.2477  0.0800 -5.9810 3  948.2872436  5951614045451 3 4    5450 4 4      C-13-H3C(O)CH3
  303941.1345  0.0218 -5.8276 3  354.4434552  5951614043429 6 0    3330 3 0      C-13-H3C(O)CH3
  303941.1347  0.0218 -5.8276 3  354.4434552  5951614043429 5 0    3330 4 0      C-13-H3C(O)CH3
  303953.0423  0.0086 -6.3860 3  669.7924856  595161404531736 0    531637 0      C-13-H3C(O)CH3
  303953.0423  0.0086 -5.1593 3  669.7924856  595161404531736 0    531737 0      C-13-H3C(O)CH3
  303953.0423  0.0086 -4.8201 3  669.7924856  595161404531836 0    531737 0      C-13-H3C(O)CH3
  303953.0423  0.0086 -4.6645 3  669.7924856  595161404531836 0    531637 0      C-13-H3C(O)CH3
  303957.2127  0.0355 -6.4320 3  396.1599308  595161404382216 4    372513 4      C-13-H3C(O)CH3
  303967.4053  0.0212 -5.8284 3  354.4064552  5951614043429 5 1    3330 3 1      C-13-H3C(O)CH3
  303969.0568  0.0097 -5.6572 3   36.6494200  5951614041210 3 0    11 7 4 0      C-13-H3C(O)CH3
  303971.8234  0.1055 -6.0689 3 1416.9429B12  595161404695415 0    695316 0      C-13-H3C(O)CH3
  303971.8234  0.1055 -6.0689 3 1416.9429B12  595161404695416 0    695317 0      C-13-H3C(O)CH3
  303988.5622  0.0871 -5.9807 3  948.2791436  5951614045451 3 3    5450 4 3      C-13-H3C(O)CH3
  304001.4489  0.0027 -3.8602 3   76.8006280 -5951614041712 6 0    1611 5 0      C-13-H3C(O)CH3
  304021.1010  0.0101 -6.6910 3  669.7725856  595161404531736 1    531737 1      C-13-H3C(O)CH3
  304021.1010  0.0101 -4.6601 3  669.7725856  595161404531836 1    531737 1      C-13-H3C(O)CH3
  304021.1010  0.0101 -6.6910 3  669.7725856  595161404531836 1    531637 1      C-13-H3C(O)CH3
  304021.1010  0.0101 -4.6601 3  669.7725856  595161404531736 1    531637 1      C-13-H3C(O)CH3
  304021.2859  0.0106 -5.1731 3  669.7720856  595161404531736 2    531637 2      C-13-H3C(O)CH3
  304021.2859  0.0106 -4.8135 3  669.7720856  595161404531836 2    531637 2      C-13-H3C(O)CH3
  304021.2859  0.0106 -4.8135 3  669.7720856  595161404531736 2    531737 2      C-13-H3C(O)CH3
  304021.2859  0.0106 -5.1731 3  669.7720856  595161404531836 2    531737 2      C-13-H3C(O)CH3
  304028.6689  0.0797 -6.0364 3 1320.6233572  595161404713338 4    713239 4      C-13-H3C(O)CH3
  304028.6700  0.0797 -6.0364 3 1320.6233572  595161404713438 4    713339 4      C-13-H3C(O)CH3
  304028.6777  0.0797 -6.0364 3 1320.6233572  595161404713338 3    713239 3      C-13-H3C(O)CH3
  304028.6788  0.0797 -6.0364 3 1320.6233572  595161404713438 3    713339 3      C-13-H3C(O)CH3
  304047.1750  0.0790 -5.7354 3 1320.6038B44  595161404713338 1    713239 1      C-13-H3C(O)CH3
  304047.1761  0.0790 -5.7354 3 1320.6038B44  595161404713438 1    713339 1      C-13-H3C(O)CH3
  304051.7089  0.0800 -5.7354 3 1320.6063B44  595161404713338 2    713239 2      C-13-H3C(O)CH3
  304051.7097  0.0800 -5.7354 3 1320.6063B44  595161404713438 2    713339 2      C-13-H3C(O)CH3
  304058.1368  0.0123 -5.3177 3  218.7430228  595161404281910 4    2720 8 4      C-13-H3C(O)CH3
  304070.2148  0.0792 -5.7352 3 1320.5868B44  595161404713338 0    713239 0      C-13-H3C(O)CH3
  304070.2156  0.0792 -5.7352 3 1320.5868B44  595161404713438 0    713339 0      C-13-H3C(O)CH3
  304071.8422  0.0331 -6.5479 3  329.2691276  595161404342411 3    342113 3      C-13-H3C(O)CH3
  304074.2622  0.0109 -5.1171 3  258.2645488  5951614043022 9 0    2923 6 0      C-13-H3C(O)CH3
  304089.4401  0.0107 -5.1338 3  669.7521428  595161404531736 3    531737 3      C-13-H3C(O)CH3
  304089.4401  0.0107 -5.4320 3  669.7521428  595161404531836 3    531737 3      C-13-H3C(O)CH3
  304089.4401  0.0107 -5.1338 3  669.7521428  595161404531836 3    531637 3      C-13-H3C(O)CH3
  304089.4401  0.0107 -5.4320 3  669.7521428  595161404531736 3    531637 3      C-13-H3C(O)CH3
  304089.5274  0.0108 -5.1955 3  669.7521428  595161404531836 4    531737 4      C-13-H3C(O)CH3
  304089.5274  0.0108 -5.1955 3  669.7521428  595161404531736 4    531637 4      C-13-H3C(O)CH3
  304089.5274  0.0108 -5.3306 3  669.7521428  595161404531736 4    531737 4      C-13-H3C(O)CH3
  304089.5274  0.0108 -5.3306 3  669.7521428  595161404531836 4    531637 4      C-13-H3C(O)CH3
  304095.8454  0.0206 -5.7816 3  329.2976552  595161404342410 1    342113 1      C-13-H3C(O)CH3
  304104.6099  0.2610 -6.8014 3 1680.3627612  595161404765620 3    765521 3      C-13-H3C(O)CH3
  304113.0347  0.0102 -5.7601 3   42.8616108  5951614041310 4 4    12 7 5 4      C-13-H3C(O)CH3
  304120.7811  0.0109 -5.1170 3  258.2645488  5951614043022 8 0    2923 7 0      C-13-H3C(O)CH3
  304127.9066  0.3033 -6.8015 3 1680.4048612  595161404765620 4    765521 4      C-13-H3C(O)CH3
  304136.8031  0.0133 -6.3358 3  183.2506408  5951614042520 6 1    2517 9 1      C-13-H3C(O)CH3
  304152.7434  0.2085 -6.8012 3 1680.3093612  595161404765621 4    765522 4      C-13-H3C(O)CH3
  304159.4484  0.0120 -5.5280 3  290.6676536  595161404331816 1    321913 1      C-13-H3C(O)CH3
  304174.4078  0.0181 -6.7235 3  183.2444204  5951614042520 6 3    2517 9 3      C-13-H3C(O)CH3
  304175.9551  0.2633 -6.8013 3 1680.3513612  595161404765621 3    765522 3      C-13-H3C(O)CH3
  304178.5740  0.0101 -5.1181 3  258.2452488  5951614043022 8 2    2923 6 2      C-13-H3C(O)CH3
  304189.2380  0.0295 -6.7870 3  329.2685276  595161404342411 4    342113 4      C-13-H3C(O)CH3
  304202.9573  0.0141 -5.8274 3  290.6404268  595161404331816 3    321913 3      C-13-H3C(O)CH3
  304203.2206  0.0151 -5.8273 3  290.6403268  595161404331816 4    321913 4      C-13-H3C(O)CH3
  304241.1012  0.1524 -6.5037 3 1575.0120620  595161404773839 4    773740 4      C-13-H3C(O)CH3
  304241.1524  0.1524 -6.5037 3 1575.0120620  595161404773939 4    773840 4      C-13-H3C(O)CH3
  304241.1628  0.1524 -6.5037 3 1575.0119620  595161404773839 3    773740 3      C-13-H3C(O)CH3
  304241.2141  0.1524 -6.5037 3 1575.0119620  595161404773939 3    773840 3      C-13-H3C(O)CH3
  304269.8615  0.0215 -5.8271 3  354.4017552  5951614043429 5 2    3330 3 2      C-13-H3C(O)CH3
  304272.4758  0.1630 -6.2025 3 1574.9998C40  595161404773839 1    773740 1      C-13-H3C(O)CH3
  304272.5283  0.1630 -6.2025 3 1574.9998C40  595161404773939 1    773840 1      C-13-H3C(O)CH3
  304273.0422  0.2800 -6.5001 3 1680.3884C24  595161404765620 1    765521 1      C-13-H3C(O)CH3
  304275.3439  0.0230 -5.8268 3  354.3775552  5951614043429 6 1    3330 4 1      C-13-H3C(O)CH3
  304275.8182  0.1573 -6.2026 3 1575.0030C40  595161404773839 2    773740 2      C-13-H3C(O)CH3
  304275.8607  0.1573 -6.2026 3 1575.0030C40  595161404773939 2    773840 2      C-13-H3C(O)CH3
  304295.3171  0.0233 -6.1290 3  354.3648276  5951614043429 5 4    3330 3 4      C-13-H3C(O)CH3
  304307.0861  0.1644 -6.2024 3 1574.9909C40  595161404773839 0    773740 0      C-13-H3C(O)CH3
  304307.1297  0.1645 -6.2024 3 1574.9909C40  595161404773939 0    773840 0      C-13-H3C(O)CH3
  304321.3353  0.2351 -6.4999 3 1680.3350C24  595161404765621 1    765522 1      C-13-H3C(O)CH3
  304324.8522  0.0200 -6.8710 3  183.2444204  5951614042520 5 3    2517 9 3      C-13-H3C(O)CH3
  304329.9980  0.0102 -5.9512 3   36.7057200  5951614041210 2 1    11 7 4 1      C-13-H3C(O)CH3
  304348.3822  0.0233 -6.0572 3  396.2038616  595161404382216 0    372513 0      C-13-H3C(O)CH3
  304364.1353  0.0215 -5.8257 3  354.3933552  5951614043429 6 2    3330 4 2      C-13-H3C(O)CH3
  304378.3095  0.2291 -6.4998 3 1680.3414C24  595161404765621 2    765522 2      C-13-H3C(O)CH3
  304388.1970  0.0232 -6.1275 3  354.3564276  5951614043429 5 3    3330 3 3      C-13-H3C(O)CH3
  304388.8886  0.0252 -6.0645 3  396.1815616  595161404382216 1    372513 1      C-13-H3C(O)CH3
  304401.4530  0.2768 -6.4999 3 1680.3835C24  595161404765620 2    765521 2      C-13-H3C(O)CH3
  304406.1911  0.0104 -5.1171 3  258.2095488  5951614043022 9 1    2923 7 1      C-13-H3C(O)CH3
  304406.9564  0.0104 -5.1163 3  258.2320488  5951614043022 8 1    2923 6 1      C-13-H3C(O)CH3
  304432.9806  0.0059 -6.6500 3  111.7628172  595161404211011 3    21 714 3      C-13-H3C(O)CH3
  304435.3523  0.0081 -6.6500 3  111.7629172  595161404211011 4    21 714 4      C-13-H3C(O)CH3
  304435.6561  0.0105 -5.1179 3  258.2255488  5951614043022 9 2    2923 7 2      C-13-H3C(O)CH3
  304451.0799  0.0347 -6.1316 3  329.2685276  595161404342410 4    342113 4      C-13-H3C(O)CH3
  304451.2314  0.0143 -6.3784 3  183.2555408  5951614042520 6 2    2517 9 2      C-13-H3C(O)CH3
  304464.5689  0.0102 -5.9589 3   36.7021200  5951614041210 2 2    11 7 4 2      C-13-H3C(O)CH3
  304466.7969  0.0103 -5.5239 3  290.6780536  595161404331816 0    321913 0      C-13-H3C(O)CH3
  304483.5827  0.0659 -5.7477 3  922.9462856  5951614045351 3 0    5350 3 0      C-13-H3C(O)CH3
  304483.5827  0.0659 -5.7477 3  922.9462856  5951614045351 2 0    5350 4 0      C-13-H3C(O)CH3
  304483.5952  0.0111 -5.4188 3  258.1901244  5951614043022 9 3    2923 7 3      C-13-H3C(O)CH3
  304487.5712  0.0136 -5.4160 3  258.2126244  5951614043022 8 4    2923 6 4      C-13-H3C(O)CH3
  304491.3878  0.0184 -5.7437 3  329.3122552  595161404342410 0    342113 0      C-13-H3C(O)CH3
  304504.3477  0.0027 -6.0905 3   74.7574140  5951614041711 7 4    1610 7 4      C-13-H3C(O)CH3
  304509.0571  0.0392 -6.9642 3  544.2700712  595161404442916 1    442618 1      C-13-H3C(O)CH3
  304515.1692  0.0120 -5.5222 3  290.6506536  595161404331816 2    321913 2      C-13-H3C(O)CH3
  304528.2587  0.0099 -6.3125 3   30.9344184  5951614041110 2 1    10 7 4 1      C-13-H3C(O)CH3
  304533.5870  0.0335 -6.2090 3  329.2691276  595161404342410 3    342113 3      C-13-H3C(O)CH3
  304546.7317  0.2797 -6.4995 3 1680.3672C24  595161404765620 0    765521 0      C-13-H3C(O)CH3
  304546.7334  0.2797 -6.4995 3 1680.3672C24  595161404765621 0    765522 0      C-13-H3C(O)CH3
  304547.7708  0.0239 -5.1877 3 1009.5708A16  595161404632637 0    632538 0      C-13-H3C(O)CH3
  304547.7708  0.0239 -5.1877 3 1009.5708A16  595161404632737 0    632638 0      C-13-H3C(O)CH3
  304550.7004  0.0175 -5.7603 3  352.5089584  595161404362016 2    352313 2      C-13-H3C(O)CH3
  304553.9787  0.0248 -6.3176 3  329.2834552  595161404342411 2    342113 2      C-13-H3C(O)CH3
  304574.9378  0.0260 -5.1888 3 1009.5824A16  595161404632637 1    632538 1      C-13-H3C(O)CH3
  304574.9378  0.0260 -5.1882 3 1009.5824A16  595161404632737 1    632638 1      C-13-H3C(O)CH3
  304579.0880  0.0314 -5.1878 3 1009.5832A16  595161404632737 2    632638 2      C-13-H3C(O)CH3
  304579.0880  0.0314 -5.1874 3 1009.5832A16  595161404632637 2    632538 2      C-13-H3C(O)CH3
  304594.3896  0.0205 -6.0624 3  352.4864292  595161404362016 3    352313 3      C-13-H3C(O)CH3
  304600.1169  0.0184 -6.0620 3  352.4864292  595161404362016 4    352313 4      C-13-H3C(O)CH3
  304601.3554  0.0232 -6.1274 3  354.3359276  5951614043429 6 3    3330 4 3      C-13-H3C(O)CH3
  304606.2273  0.0095 -5.6240 3  285.1158520  595161404322112 1    321815 1      C-13-H3C(O)CH3
  304606.3232  0.0311 -5.4883 3 1009.5948508  595161404632737 3    632638 3      C-13-H3C(O)CH3
  304606.3232  0.0311 -5.4884 3 1009.5948508  595161404632637 3    632538 3      C-13-H3C(O)CH3
  304606.4256  0.0312 -5.4888 3 1009.5948508  595161404632737 4    632638 4      C-13-H3C(O)CH3
  304606.4256  0.0312 -5.4886 3 1009.5948508  595161404632637 4    632538 4      C-13-H3C(O)CH3
  304613.5497  0.0018 -3.9184 3  140.3284204 -59516140425 718 4    24 817 4      C-13-H3C(O)CH3
  304613.5497  0.0017 -3.9184 3  140.3284204 -59516140425 718 3    24 817 3      C-13-H3C(O)CH3
  304613.5497  0.0017 -3.9184 3  140.3284204 -59516140425 818 3    24 717 3      C-13-H3C(O)CH3
  304613.5497  0.0018 -3.9184 3  140.3284204 -59516140425 818 4    24 717 4      C-13-H3C(O)CH3
  304614.6813  0.0704 -5.7476 3  922.9955856  5951614045351 2 1    5350 3 1      C-13-H3C(O)CH3
  304624.1103  0.0863 -5.7474 3  922.9575856  5951614045351 3 2    5350 4 2      C-13-H3C(O)CH3
  304628.9711  0.0327 -6.7783 3  496.9972680  595161404422815 1    422517 1      C-13-H3C(O)CH3
  304631.7076  0.0058 -6.3455 3  111.7417344  595161404211011 2    21 714 2      C-13-H3C(O)CH3
  304641.7161  0.0078 -5.7704 3  637.9680840  595161404521636 0    521537 0      C-13-H3C(O)CH3
  304641.7161  0.0078 -6.6282 3  637.9680840  595161404521736 0    521637 0      C-13-H3C(O)CH3
  304641.7161  0.0078 -4.6169 3  637.9680840  595161404521636 0    521637 0      C-13-H3C(O)CH3
  304641.7161  0.0078 -4.6440 3  637.9680840  595161404521736 0    521537 0      C-13-H3C(O)CH3
  304681.1167  0.0020 -3.6172 3  140.3159408 -59516140425 718 1    24 817 1      C-13-H3C(O)CH3
  304681.1167  0.0020 -3.6172 3  140.3159408 -59516140425 818 1    24 717 1      C-13-H3C(O)CH3
  304682.7563  0.0020 -3.6173 3  140.3146408 -59516140425 818 2    24 717 2      C-13-H3C(O)CH3
  304682.7563  0.0020 -3.6173 3  140.3146408 -59516140425 718 2    24 817 2      C-13-H3C(O)CH3
  304694.2701  0.0267 -6.1260 3  354.3273276  5951614043429 6 4    3330 4 4      C-13-H3C(O)CH3
  304696.2373  0.0058 -6.3461 3  111.7431344  595161404211011 1    21 714 1      C-13-H3C(O)CH3
  304704.9122  0.0096 -6.0896 3  637.9445840  595161404521736 2    521637 2      C-13-H3C(O)CH3
  304704.9122  0.0096 -4.6271 3  637.9445840  595161404521736 2    521537 2      C-13-H3C(O)CH3
  304704.9122  0.0096 -4.6271 3  637.9445840  595161404521636 2    521637 2      C-13-H3C(O)CH3
  304704.9122  0.0096 -6.0896 3  637.9445840  595161404521636 2    521537 2      C-13-H3C(O)CH3
  304705.1252  0.0093 -6.5453 3  637.9450840  595161404521736 1    521537 1      C-13-H3C(O)CH3
  304705.1252  0.0093 -4.6175 3  637.9450840  595161404521736 1    521637 1      C-13-H3C(O)CH3
  304705.1252  0.0093 -4.6175 3  637.9450840  595161404521636 1    521537 1      C-13-H3C(O)CH3
  304705.1252  0.0093 -6.5453 3  637.9450840  595161404521636 1    521637 1      C-13-H3C(O)CH3
  304708.6354  0.0096 -5.9266 3  285.0914260  595161404322112 3    321815 3      C-13-H3C(O)CH3
  304709.5355  0.0094 -5.6231 3  285.1345520  595161404322112 0    321815 0      C-13-H3C(O)CH3
  304716.7134  0.0096 -5.9257 3  285.0914260  595161404322112 4    321815 4      C-13-H3C(O)CH3
  304724.3590  0.0022 -6.2918 3   74.7300280  5951614041711 7 1    1610 7 1      C-13-H3C(O)CH3
  304730.1417  0.0114 -6.2227 3   36.7599100  5951614041210 2 4    11 7 4 4      C-13-H3C(O)CH3
  304730.5396  0.0788 -5.7473 3  922.9838856  5951614045351 3 1    5350 4 1      C-13-H3C(O)CH3
  304740.8106  0.0119 -5.4166 3  258.1704244  5951614043022 9 4    2923 7 4      C-13-H3C(O)CH3
  304746.1763  0.0107 -5.4178 3  258.1929244  5951614043022 8 3    2923 6 3      C-13-H3C(O)CH3
  304746.7306  0.0023 -6.4608 3   74.7285280  5951614041711 7 2    1610 7 2      C-13-H3C(O)CH3
  304750.2197  0.0018 -3.6172 3  140.3022408 -59516140425 718 0    24 817 0      C-13-H3C(O)CH3
  304750.2197  0.0018 -3.6172 3  140.3022408 -59516140425 818 0    24 717 0      C-13-H3C(O)CH3
  304756.4778  0.0978 -6.0484 3  923.0068428  5951614045351 3 3    5350 4 3      C-13-H3C(O)CH3
  304768.4112  0.0101 -4.9427 3  637.9214420  595161404521736 3    521537 3      C-13-H3C(O)CH3
  304768.4112  0.0101 -6.0948 3  637.9214420  595161404521736 3    521637 3      C-13-H3C(O)CH3
  304768.4112  0.0101 -6.0948 3  637.9214420  595161404521636 3    521537 3      C-13-H3C(O)CH3
  304768.4112  0.0101 -4.9427 3  637.9214420  595161404521636 3    521637 3      C-13-H3C(O)CH3
  304768.4672  0.0101 -4.9150 3  637.9214420  595161404521636 4    521637 4      C-13-H3C(O)CH3
  304768.4672  0.0101 -4.9150 3  637.9214420  595161404521736 4    521537 4      C-13-H3C(O)CH3
  304768.7249  0.0107 -6.3237 3   30.9352184  5951614041110 2 2    10 7 4 2      C-13-H3C(O)CH3
  304778.8081  0.0751 -5.7473 3  922.9799856  5951614045351 2 2    5350 3 2      C-13-H3C(O)CH3
  304820.7984  0.0093 -5.6243 3  285.1101520  595161404322112 2    321815 2      C-13-H3C(O)CH3
  304845.7619  0.0139 -5.3135 3  218.8078228  5951614042819 9 4    2720 7 4      C-13-H3C(O)CH3
  304859.3443  0.0078 -6.6491 3  111.7629172  595161404211111 4    21 814 4      C-13-H3C(O)CH3
  304859.5355  0.0058 -6.6491 3  111.7628172  595161404211111 3    21 814 3      C-13-H3C(O)CH3
  304864.3943  0.0039 -5.2241 3   35.7074108  59516140413 5 8 3    12 4 9 3      C-13-H3C(O)CH3
  304865.6219  0.0052 -5.2241 3   35.7074108  59516140413 5 8 4    12 4 9 4      C-13-H3C(O)CH3
  304871.7990  0.0115 -5.1373 3  218.8196456  5951614042819 9 2    2720 7 2      C-13-H3C(O)CH3
  304872.0212  0.1173 -6.0480 3  922.9950428  5951614045351 3 4    5350 4 4      C-13-H3C(O)CH3
  304880.8228  0.0148 -5.7554 3  352.5294584  595161404362016 0    352313 0      C-13-H3C(O)CH3
  304893.6366  0.0056 -6.3425 3  111.7220344  595161404211011 0    21 714 0      C-13-H3C(O)CH3
  304910.5801  0.0701 -5.6820 3 1092.0326952  5951614045952 7 2    5951 8 2      C-13-H3C(O)CH3
  304911.8920  0.0890 -6.0483 3  923.0293428  5951614045351 2 4    5350 3 4      C-13-H3C(O)CH3
  304913.0190  0.0280 -5.8801 3  329.2834552  595161404342410 2    342113 2      C-13-H3C(O)CH3
  304920.6770  0.0160 -5.7564 3  352.5070584  595161404362016 1    352313 1      C-13-H3C(O)CH3
  304928.9909  0.0035 -4.9269 3   47.8640116  59516140414 9 6 4    13 6 7 4      C-13-H3C(O)CH3
  304937.3745  0.2516 -6.9265 3 1800.6174660  595161404824240 4    824141 4      C-13-H3C(O)CH3
  304937.4493  0.2516 -6.9265 3 1800.6174660  595161404824240 3    824141 3      C-13-H3C(O)CH3
  304938.0392  0.2514 -6.9265 3 1800.6174660  595161404824340 4    824241 4      C-13-H3C(O)CH3
  304938.1140  0.2514 -6.9265 3 1800.6174660  595161404824340 3    824241 3      C-13-H3C(O)CH3
  304938.4268  0.3951 -6.7127 3 1802.3251C72  595161404795722 1    795623 1      C-13-H3C(O)CH3
  304952.9484  0.0609 -5.5972 3  669.7813792  595161404493118 0    492821 0      C-13-H3C(O)CH3
  304956.9516  0.1102 -6.1373 3 1248.2683516  595161404645311 4    645212 4      C-13-H3C(O)CH3
  304958.6420  0.3281 -6.7126 3 1802.2748C72  595161404795723 1    795624 1      C-13-H3C(O)CH3
  304959.8058  0.0850 -5.9830 3 1092.0587476  5951614045952 7 4    5951 8 4      C-13-H3C(O)CH3
  304962.0252  0.2654 -6.6254 3 1800.6151D20  595161404824240 1    824141 1      C-13-H3C(O)CH3
  304962.7227  0.2655 -6.6254 3 1800.6151D20  595161404824340 1    824241 1      C-13-H3C(O)CH3
  304964.8791  0.0039 -5.2239 3   35.7074108  59516140413 6 8 3    12 3 9 3      C-13-H3C(O)CH3
  304964.9190  0.0052 -5.2239 3   35.7074108  59516140413 6 8 4    12 3 9 4      C-13-H3C(O)CH3
  304965.3138  0.2579 -6.6254 3 1800.6180D20  595161404824240 2    824141 2      C-13-H3C(O)CH3
  304965.8960  0.2578 -6.6254 3 1800.6180D20  595161404824340 2    824241 2      C-13-H3C(O)CH3
  304975.5630  0.0233 -6.9661 3  367.9916584  595161404362512 1    362214 1      C-13-H3C(O)CH3
  304977.7334  0.0289 -6.6598 3  451.8521648  595161404402714 1    402416 1      C-13-H3C(O)CH3
  304986.4695  0.0116 -6.7235 3   30.9891 92  5951614041110 2 3    10 7 4 3      C-13-H3C(O)CH3
  304987.0063  0.0725 -5.9830 3 1092.0452476  5951614045952 7 3    5951 8 3      C-13-H3C(O)CH3
  304989.8139  0.2672 -6.6253 3 1800.6157D20  595161404824240 0    824141 0      C-13-H3C(O)CH3
  304990.4259  0.2673 -6.6253 3 1800.6157D20  595161404824340 0    824241 0      C-13-H3C(O)CH3
  305004.3653  0.0717 -6.6546 3  544.2554712  595161404442916 2    442618 2      C-13-H3C(O)CH3
  305005.9522  0.0647 -5.6819 3 1092.0130952  5951614045952 8 0    5951 9 0      C-13-H3C(O)CH3
  305005.9522  0.0647 -5.6819 3 1092.0130952  5951614045952 7 0    5951 8 0      C-13-H3C(O)CH3
  305021.1888  0.0098 -5.0632 3  218.8151456  5951614042819 9 1    2720 7 1      C-13-H3C(O)CH3
  305027.7581  0.0989 -6.0479 3  923.0174428  5951614045351 2 3    5350 3 3      C-13-H3C(O)CH3
  305046.5215  0.0035 -4.9254 3   47.8637116  59516140414 9 6 3    13 6 7 3      C-13-H3C(O)CH3
  305046.9844  0.0991 -6.1371 3 1248.2346516  595161404645311 3    645212 3      C-13-H3C(O)CH3
  305056.0099  0.0669 -5.6818 3 1092.0393952  5951614045952 7 1    5951 8 1      C-13-H3C(O)CH3
  305056.0944  0.0931 -5.8360 3 1248.2457A32  595161404645311 2    645212 2      C-13-H3C(O)CH3
  305056.2854  0.0145 -6.2752 3  558.4159744  595161404462224 1    452521 1      C-13-H3C(O)CH3
  305056.4596  0.0936 -6.1370 3 1248.2250516  595161404645312 3    645213 3      C-13-H3C(O)CH3
  305066.1994  0.0644 -5.6818 3 1092.0113952  5951614045952 8 2    5951 9 2      C-13-H3C(O)CH3
  305071.9008  0.0057 -6.3446 3  111.7417344  595161404211111 2    21 814 2      C-13-H3C(O)CH3
  305072.3574  0.4634 -6.9392 3 1928.8010D20  595161404825825 1    825726 1      C-13-H3C(O)CH3
  305075.3176  0.0120 -6.2750 3  558.4328744  595161404462224 0    452521 0      C-13-H3C(O)CH3
  305076.3016  0.3228 -6.7124 3 1802.2786C72  595161404795723 2    795624 2      C-13-H3C(O)CH3
  305082.2677  0.0607 -5.6819 3 1092.0257952  5951614045952 8 1    5951 9 1      C-13-H3C(O)CH3
  305084.7923  0.0174 -6.5747 3  558.3953372  595161404462224 3    452521 3      C-13-H3C(O)CH3
  305085.2661  0.0175 -6.5747 3  558.3952372  595161404462224 4    452521 4      C-13-H3C(O)CH3
  305085.8013  0.5482 -6.9393 3 1928.8455D20  595161404825824 1    825725 1      C-13-H3C(O)CH3
  305094.2038  0.3700 -6.7124 3 1802.3132C72  595161404795722 2    795623 2      C-13-H3C(O)CH3
  305104.4493  0.0165 -6.2733 3  558.4122744  595161404462224 2    452521 2      C-13-H3C(O)CH3
  305116.1171  0.0750 -5.9828 3 1092.0374476  5951614045952 8 3    5951 9 3      C-13-H3C(O)CH3
  305119.5788  0.0048 -4.9217 3   35.6498216  59516140413 5 8 2    12 4 9 2      C-13-H3C(O)CH3
  305124.8694  0.0057 -6.3452 3  111.7431344  595161404211111 1    21 814 1      C-13-H3C(O)CH3
  305127.7356  0.0128 -5.2008 3  198.9855220  595161404271711 4    2618 8 4      C-13-H3C(O)CH3
  305137.3054  0.0046 -4.9219 3   35.6505216  59516140413 5 8 1    12 4 9 1      C-13-H3C(O)CH3
  305142.9621  0.0781 -5.9828 3 1092.0239476  5951614045952 8 4    5951 9 4      C-13-H3C(O)CH3
  305145.9002  0.0858 -5.8358 3 1248.2417A32  595161404645311 1    645212 1      C-13-H3C(O)CH3
  305146.2003  0.1023 -6.1369 3 1248.1913516  595161404645312 4    645213 4      C-13-H3C(O)CH3
  305155.3707  0.0787 -5.8358 3 1248.2024A32  595161404645312 2    645213 2      C-13-H3C(O)CH3
  305160.7075  0.0377 -5.5853 3  641.2275776  595161404483018 0    482721 0      C-13-H3C(O)CH3
  305160.9335  0.0080 -4.8901 3  218.8258456  5951614042819 9 0    2720 8 0      C-13-H3C(O)CH3
  305163.5953  0.0562 -6.4647 3  496.9812680  595161404422815 2    422517 2      C-13-H3C(O)CH3
  305169.4429  0.0108 -6.6930 3   30.9891 92  5951614041110 1 3    10 7 4 3      C-13-H3C(O)CH3
  305192.9588  0.0679 -6.6789 3  544.2323356  595161404442916 4    442618 4      C-13-H3C(O)CH3
  305195.2617  0.0565 -6.5629 3  496.9588340  595161404422815 4    422517 4      C-13-H3C(O)CH3
  305209.1262  0.0261 -6.6462 3  408.8465616  595161404382613 1    382315 1      C-13-H3C(O)CH3
  305211.3551  0.4084 -6.7122 3 1802.3060C72  595161404795722 0    795623 0      C-13-H3C(O)CH3
  305211.3691  0.4084 -6.7122 3 1802.3060C72  595161404795723 0    795624 0      C-13-H3C(O)CH3
  305223.5458  0.0048 -4.9216 3   35.6498216  59516140413 6 8 2    12 3 9 2      C-13-H3C(O)CH3
  305235.3574  0.0782 -5.8357 3 1248.2080A32  595161404645312 1    645213 1      C-13-H3C(O)CH3
  305238.9493  0.0046 -4.9218 3   35.6505216  59516140413 6 8 1    12 3 9 1      C-13-H3C(O)CH3
  305244.2410  0.0717 -5.8356 3 1248.2190A32  595161404645311 0    645212 0      C-13-H3C(O)CH3
  305244.2410  0.0717 -5.8356 3 1248.2190A32  595161404645312 0    645213 0      C-13-H3C(O)CH3
  305251.0714  0.4552 -6.9389 3 1928.7999D20  595161404825825 2    825726 2      C-13-H3C(O)CH3
  305251.3603  0.4967 -6.9390 3 1928.8258D20  595161404825824 2    825725 2      C-13-H3C(O)CH3
  305258.2370  0.0345 -6.5064 3  367.9589292  595161404362512 4    362214 4      C-13-H3C(O)CH3
  305273.3044  0.0033 -4.6246 3   47.8181232  59516140414 9 6 1    13 6 7 1      C-13-H3C(O)CH3
  305296.0711  0.0070 -5.4346 3  606.7244824  595161404511636 0    511437 0      C-13-H3C(O)CH3
  305296.0711  0.0070 -4.6360 3  606.7244824  595161404511536 0    511437 0      C-13-H3C(O)CH3
  305296.0711  0.0070 -4.6360 3  606.7244824  595161404511636 0    511537 0      C-13-H3C(O)CH3
  305296.0711  0.0070 -5.4346 3  606.7244824  595161404511536 0    511537 0      C-13-H3C(O)CH3
  305302.4724  0.0250 -5.7248 3  367.9916584  595161404362511 1    362214 1      C-13-H3C(O)CH3
  305320.8721  0.0038 -4.6252 3   47.8158232  59516140414 9 6 2    13 6 7 2      C-13-H3C(O)CH3
  305336.9925  0.0055 -6.3416 3  111.7220344  595161404211111 0    21 814 0      C-13-H3C(O)CH3
  305341.6583  0.0363 -5.5845 3  641.2117776  595161404483018 1    482721 1      C-13-H3C(O)CH3
  305342.8868  0.5817 -6.9388 3 1928.8287D20  595161404825824 0    825725 0      C-13-H3C(O)CH3
  305342.9883  0.5817 -6.9388 3 1928.8287D20  595161404825825 0    825726 0      C-13-H3C(O)CH3
  305351.1988  0.0088 -4.5765 3  606.6982824  595161404511536 2    511437 2      C-13-H3C(O)CH3
  305351.1988  0.0088 -4.5765 3  606.6982824  595161404511636 2    511537 2      C-13-H3C(O)CH3
  305351.1988  0.0088 -6.5250 3  606.6982824  595161404511636 2    511437 2      C-13-H3C(O)CH3
  305351.1988  0.0088 -6.5250 3  606.6982824  595161404511536 2    511537 2      C-13-H3C(O)CH3
  305351.7717  0.0087 -4.9036 3  606.6987824  595161404511536 1    511537 1      C-13-H3C(O)CH3
  305351.7717  0.0087 -4.8438 3  606.6987824  595161404511536 1    511437 1      C-13-H3C(O)CH3
  305351.7717  0.0087 -4.8438 3  606.6987824  595161404511636 1    511537 1      C-13-H3C(O)CH3
  305351.7717  0.0087 -4.9036 3  606.6987824  595161404511636 1    511437 1      C-13-H3C(O)CH3
  305371.6401  0.0755 -5.8673 3  898.1677840  5951614045251 1 0    5250 3 0      C-13-H3C(O)CH3
  305371.6401  0.0755 -5.8673 3  898.1677840  5951614045251 2 0    5250 2 0      C-13-H3C(O)CH3
  305378.2322  0.2241 -6.5473 3 1528.2796580  595161404725517 4    725418 4      C-13-H3C(O)CH3
  305380.2329  0.0376 -6.6383 3  367.9593292  595161404362512 3    362214 3      C-13-H3C(O)CH3
  305381.5536  0.1735 -6.5472 3 1528.2302580  595161404725517 3    725418 3      C-13-H3C(O)CH3
  305385.3994  0.0069 -4.8077 3  198.9879440  595161404271711 2    2618 8 2      C-13-H3C(O)CH3
  305387.2633  0.0311 -5.5843 3  641.2058776  595161404483018 2    482721 2      C-13-H3C(O)CH3
  305387.5828  0.0912 -6.9027 3  593.6459744  595161404463017 2    462719 2      C-13-H3C(O)CH3
  305391.4633  0.0049 -4.9206 3   35.5931216  59516140413 5 8 0    12 4 9 0      C-13-H3C(O)CH3
  305403.0806  0.0544 -5.5983 3  669.7641792  595161404493118 1    492821 1      C-13-H3C(O)CH3
  305406.9800  0.0095 -5.2040 3  606.6725412  595161404511536 3    511437 3      C-13-H3C(O)CH3
  305406.9800  0.0095 -5.1449 3  606.6725412  595161404511636 3    511437 3      C-13-H3C(O)CH3
  305406.9800  0.0095 -5.1449 3  606.6725412  595161404511536 3    511537 3      C-13-H3C(O)CH3
  305406.9800  0.0095 -5.2040 3  606.6725412  595161404511636 3    511537 3      C-13-H3C(O)CH3
  305406.9972  0.0095 -6.3909 3  606.6724412  595161404511536 4    511537 4      C-13-H3C(O)CH3
  305406.9972  0.0095 -4.8738 3  606.6724412  595161404511636 4    511537 4      C-13-H3C(O)CH3
  305406.9972  0.0095 -4.8858 3  606.6724412  595161404511536 4    511437 4      C-13-H3C(O)CH3
  305426.7319  0.0131 -6.1897 3  183.2681408  5951614042520 6 0    2517 9 0      C-13-H3C(O)CH3
  305431.4738  0.0472 -6.4984 3  451.8144324  595161404402714 4    402416 4      C-13-H3C(O)CH3
  305434.5073  0.0078 -4.8435 3  198.9891440  595161404271711 1    2618 8 1      C-13-H3C(O)CH3
  305458.5518  0.0176 -5.5755 3  327.3152536  5951614043327 7 0    3228 4 0      C-13-H3C(O)CH3
  305458.5603  0.0176 -5.5755 3  327.3152536  5951614043327 6 0    3228 5 0      C-13-H3C(O)CH3
  305467.5815  0.0138 -5.4721 3  218.7811228  5951614042819 9 3    2720 7 3      C-13-H3C(O)CH3
  305469.2072  0.1972 -6.5471 3 1528.2271580  595161404725518 3    725419 3      C-13-H3C(O)CH3
  305472.3842  0.1537 -6.5469 3 1528.1778580  595161404725518 4    725419 4      C-13-H3C(O)CH3
  305486.5281  0.0045 -4.7741 3  198.9980440  595161404271711 0    2618 8 0      C-13-H3C(O)CH3
  305497.1762  0.0048 -4.9204 3   35.5931216  59516140413 6 8 0    12 3 9 0      C-13-H3C(O)CH3
  305499.5393  0.0176 -6.7269 3  183.2506408  5951614042520 5 1    2517 9 1      C-13-H3C(O)CH3
  305500.5948  0.0800 -5.8673 3  898.2243840  5951614045251 1 1    5250 2 1      C-13-H3C(O)CH3
  305516.4062  0.0215 -5.7013 3  368.0085584  595161404362511 0    362214 0      C-13-H3C(O)CH3
  305535.3677  0.0210 -5.8837 3  641.1898388  595161404483018 3    482721 3      C-13-H3C(O)CH3
  305537.9332  0.0445 -6.3370 3  451.8354648  595161404402714 2    402416 2      C-13-H3C(O)CH3
  305539.3981  0.0096 -5.4138 3   42.8110216  5951614041310 4 1    12 7 5 1      C-13-H3C(O)CH3
  305548.3719  0.0205 -6.4768 3  225.7982228  5951614042821 8 4    281811 4      C-13-H3C(O)CH3
  305562.1796  0.0297 -6.2519 3  367.9759584  595161404362512 2    362214 2      C-13-H3C(O)CH3
  305564.1874  0.1754 -6.2459 3 1528.2552B60  595161404725517 1    725418 1      C-13-H3C(O)CH3
  305564.8514  0.0400 -6.4776 3  408.8108308  595161404382613 4    382315 4      C-13-H3C(O)CH3
  305577.9551  0.0997 -5.8669 3  898.1793840  5951614045251 2 2    5250 3 2      C-13-H3C(O)CH3
  305584.9628  0.0174 -5.5759 3  327.2689536  5951614043327 6 1    3228 4 1      C-13-H3C(O)CH3
  305589.0442  0.0704 -5.9575 3 1278.4681564  595161404703238 3    703139 3      C-13-H3C(O)CH3
  305589.0445  0.0704 -5.9575 3 1278.4681564  595161404703338 3    703239 3      C-13-H3C(O)CH3
  305589.0489  0.0704 -5.9575 3 1278.4682564  595161404703238 4    703139 4      C-13-H3C(O)CH3
  305589.0493  0.0704 -5.9575 3 1278.4682564  595161404703338 4    703239 4      C-13-H3C(O)CH3
  305596.1846  0.0741 -5.5993 3  669.7572792  595161404493118 2    492821 2      C-13-H3C(O)CH3
  305600.2452  0.1588 -6.3243 3 1384.2488548  595161404685414 4    685315 4      C-13-H3C(O)CH3
  305602.5004  0.0680 -5.6565 3 1278.4483B28  595161404703238 1    703139 1      C-13-H3C(O)CH3
  305602.5007  0.0680 -5.6565 3 1278.4483B28  595161404703338 1    703239 1      C-13-H3C(O)CH3
  305606.4093  0.0035 -4.6246 3   47.7702232  59516140414 9 6 0    13 6 7 0      C-13-H3C(O)CH3
  305607.1336  0.0701 -5.6566 3 1278.4505B28  595161404703238 2    703139 2      C-13-H3C(O)CH3
  305607.1339  0.0701 -5.6566 3 1278.4505B28  595161404703338 2    703239 2      C-13-H3C(O)CH3
  305608.9394  0.0018 -3.8704 3  145.3009212 -59516140426 620 3    25 719 3      C-13-H3C(O)CH3
  305608.9394  0.0018 -3.8704 3  145.3009212 -59516140426 720 3    25 619 3      C-13-H3C(O)CH3
  305608.9394  0.0019 -3.8704 3  145.3009212 -59516140426 720 4    25 619 4      C-13-H3C(O)CH3
  305608.9394  0.0019 -3.8704 3  145.3009212 -59516140426 620 4    25 719 4      C-13-H3C(O)CH3
  305617.4881  0.0267 -5.8854 3  641.1899388  595161404483018 4    482721 4      C-13-H3C(O)CH3
  305620.6082  0.0680 -5.6563 3 1278.4307B28  595161404703238 0    703139 0      C-13-H3C(O)CH3
  305620.6084  0.0680 -5.6563 3 1278.4307B28  595161404703338 0    703239 0      C-13-H3C(O)CH3
  305627.1470  0.1907 -6.2458 3 1528.2585B60  595161404725517 2    725418 2      C-13-H3C(O)CH3
  305630.5146  0.1424 -6.2456 3 1528.2091B60  595161404725518 2    725419 2      C-13-H3C(O)CH3
  305636.0305  0.0206 -5.1229 3  971.9670A00  595161404622537 0    622438 0      C-13-H3C(O)CH3
  305636.0305  0.0206 -5.1224 3  971.9670A00  595161404622637 0    622538 0      C-13-H3C(O)CH3
  305648.7354  0.1219 -6.3241 3 1384.1984548  595161404685415 3    685316 3      C-13-H3C(O)CH3
  305655.1409  0.1537 -6.2456 3 1528.2028B60  595161404725518 1    725419 1      C-13-H3C(O)CH3
  305655.3805  0.0903 -5.8668 3  898.2093840  5951614045251 2 1    5250 3 1      C-13-H3C(O)CH3
  305658.6041  0.0071 -5.0882 3  198.9685220  595161404271711 3    2618 8 3      C-13-H3C(O)CH3
  305664.1010  0.0174 -6.6441 3  183.2555408  5951614042520 5 2    2517 9 2      C-13-H3C(O)CH3
  305670.1316  0.0021 -3.5692 3  145.2855424 -59516140426 620 1    25 719 1      C-13-H3C(O)CH3
  305670.1316  0.0021 -3.5692 3  145.2855424 -59516140426 720 1    25 619 1      C-13-H3C(O)CH3
  305671.2182  0.0021 -3.5693 3  145.2845424 -59516140426 620 2    25 719 2      C-13-H3C(O)CH3
  305671.2182  0.0021 -3.5693 3  145.2845424 -59516140426 720 2    25 619 2      C-13-H3C(O)CH3
  305671.4906  0.0229 -5.1277 3  971.9762A00  595161404622537 1    622438 1      C-13-H3C(O)CH3
  305671.4906  0.0229 -5.1225 3  971.9762A00  595161404622637 1    622538 1      C-13-H3C(O)CH3
  305673.4087  0.0145 -5.2508 3  218.7928456  5951614042819 9 2    2720 8 2      C-13-H3C(O)CH3
  305675.3420  0.0281 -6.8969 3  971.9768A00  595161404622537 2    622538 2      C-13-H3C(O)CH3
  305675.3420  0.0281 -6.8498 3  971.9768A00  595161404622637 2    622438 2      C-13-H3C(O)CH3
  305675.3420  0.0281 -5.1297 3  971.9768A00  595161404622537 2    622438 2      C-13-H3C(O)CH3
  305675.3420  0.0281 -5.1305 3  971.9768A00  595161404622637 2    622538 2      C-13-H3C(O)CH3
  305705.6212  0.1417 -6.3240 3 1384.2032548  595161404685414 3    685315 3      C-13-H3C(O)CH3
  305708.4463  0.1105 -6.1679 3  898.2359420  5951614045251 2 3    5250 3 3      C-13-H3C(O)CH3
  305710.8768  0.0273 -5.4254 3  971.9859500  595161404622537 3    622438 3      C-13-H3C(O)CH3
  305710.8768  0.0273 -5.4233 3  971.9859500  595161404622637 3    622538 3      C-13-H3C(O)CH3
  305710.9931  0.0274 -5.4233 3  971.9860500  595161404622637 4    622538 4      C-13-H3C(O)CH3
  305710.9931  0.0274 -5.4232 3  971.9860500  595161404622537 4    622438 4      C-13-H3C(O)CH3
  305711.6865  0.0353 -5.6193 3  497.0198680  595161404422814 0    422517 0      C-13-H3C(O)CH3
  305714.2350  0.0875 -5.8668 3  898.2111840  5951614045251 1 2    5250 2 2      C-13-H3C(O)CH3
  305732.2846  0.0019 -3.5692 3  145.2692424 -59516140426 620 0    25 719 0      C-13-H3C(O)CH3
  305732.2846  0.0019 -3.5692 3  145.2692424 -59516140426 720 0    25 619 0      C-13-H3C(O)CH3
  305735.1335  0.0291 -5.6389 3  451.8732648  595161404402713 0    402416 0      C-13-H3C(O)CH3
  305737.8283  0.0815 -6.8537 3  593.6230372  595161404463017 4    462719 4      C-13-H3C(O)CH3
  305753.8466  0.1245 -6.3238 3 1384.1529548  595161404685415 4    685316 4      C-13-H3C(O)CH3
  305759.7823  0.0143 -6.2730 3  558.3925744  595161404462324 1    452421 1      C-13-H3C(O)CH3
  305761.0369  0.0122 -6.2728 3  558.4100744  595161404462324 0    452421 0      C-13-H3C(O)CH3
  305784.2394  0.0360 -6.2674 3  408.8299616  595161404382613 2    382315 2      C-13-H3C(O)CH3
  305788.5685  0.1327 -6.0228 3 1384.2275A96  595161404685414 2    685315 2      C-13-H3C(O)CH3
  305789.2804  0.0170 -5.5737 3  327.2748536  5951614043327 6 2    3228 4 2      C-13-H3C(O)CH3
  305805.3920  0.1183 -6.0228 3 1384.2211A96  595161404685414 1    685315 1      C-13-H3C(O)CH3
  305808.2466  0.0249 -5.6664 3  408.8656616  595161404382612 0    382315 0      C-13-H3C(O)CH3
  305809.3567  0.0180 -5.5745 3  327.2561536  5951614043327 7 1    3228 5 1      C-13-H3C(O)CH3
  305810.1612  0.0183 -5.5087 3  218.7697228  5951614042819 9 3    2720 8 3      C-13-H3C(O)CH3
  305812.9643  0.1564 -6.2453 3 1528.2342B60  595161404725517 0    725418 0      C-13-H3C(O)CH3
  305812.9644  0.1564 -6.2453 3 1528.2342B60  595161404725518 0    725419 0      C-13-H3C(O)CH3
  305814.5573  0.0072 -5.5386 3   42.8600108  5951614041310 4 3    12 7 5 3      C-13-H3C(O)CH3
  305819.7367  0.0193 -6.5723 3  558.3708372  595161404462324 4    452421 4      C-13-H3C(O)CH3
  305820.6022  0.0192 -6.5723 3  558.3708372  595161404462324 3    452421 3      C-13-H3C(O)CH3
  305821.4575  0.0181 -6.2711 3  558.3883744  595161404462324 2    452421 2      C-13-H3C(O)CH3
  305830.1459  0.0176 -5.5746 3  327.2729536  5951614043327 7 2    3228 5 2      C-13-H3C(O)CH3
  305837.0140  0.0981 -6.0227 3 1384.1771A96  595161404685415 2    685316 2      C-13-H3C(O)CH3
  305839.9623  0.0299 -5.7141 3  408.8465616  595161404382612 1    382315 1      C-13-H3C(O)CH3
  305845.4468  0.0992 -6.1679 3  898.2678420  5951614045251 1 4    5250 2 4      C-13-H3C(O)CH3
  305863.3999  0.1337 -6.1675 3  898.2209420  5951614045251 2 4    5250 3 4      C-13-H3C(O)CH3
  305881.5735  0.0108 -5.4063 3   42.8063216  5951614041310 4 2    12 7 5 2      C-13-H3C(O)CH3
  305893.7548  0.0435 -6.8092 3  408.8109308  595161404382613 3    382315 3      C-13-H3C(O)CH3
  305910.4905  0.1063 -6.0226 3 1384.1755A96  595161404685415 1    685316 1      C-13-H3C(O)CH3
  305912.4971  0.0188 -5.8752 3  327.2286268  5951614043327 6 3    3228 4 3      C-13-H3C(O)CH3
  305918.4836  0.0064 -4.5490 3  576.0626808  595161404501536 0    501437 0      C-13-H3C(O)CH3
  305918.4836  0.0064 -4.5490 3  576.0626808  595161404501436 0    501337 0      C-13-H3C(O)CH3
  305918.4836  0.0064 -6.0089 3  576.0626808  595161404501436 0    501437 0      C-13-H3C(O)CH3
  305918.4836  0.0064 -6.0089 3  576.0626808  595161404501536 0    501337 0      C-13-H3C(O)CH3
  305929.9739  0.0392 -6.1177 3  367.9593292  595161404362511 3    362214 3      C-13-H3C(O)CH3
  305954.1384  0.0197 -5.8761 3  327.2267268  5951614043327 6 4    3228 4 4      C-13-H3C(O)CH3
  305962.1649  0.0082 -4.9864 3  576.0342808  595161404501536 2    501337 2      C-13-H3C(O)CH3
  305962.1649  0.0082 -4.7230 3  576.0342808  595161404501436 2    501337 2      C-13-H3C(O)CH3
  305962.1649  0.0082 -4.7230 3  576.0342808  595161404501536 2    501437 2      C-13-H3C(O)CH3
  305962.1649  0.0082 -4.9864 3  576.0342808  595161404501436 2    501437 2      C-13-H3C(O)CH3
  305963.0520  0.0083 -5.1819 3  576.0348808  595161404501436 1    501337 1      C-13-H3C(O)CH3
  305963.0520  0.0083 -5.1819 3  576.0348808  595161404501536 1    501437 1      C-13-H3C(O)CH3
  305963.0520  0.0083 -4.6447 3  576.0348808  595161404501536 1    501337 1      C-13-H3C(O)CH3
  305963.0520  0.0083 -4.6447 3  576.0348808  595161404501436 1    501437 1      C-13-H3C(O)CH3
  305973.9435  0.0026 -6.2492 3   76.8554140  5951614041712 5 3    1611 5 3      C-13-H3C(O)CH3
  305976.9318  0.0560 -5.8988 3  669.7398396  595161404493118 3    492821 3      C-13-H3C(O)CH3
  305993.2473  0.0932 -6.0224 3 1384.1998A96  595161404685414 0    685315 0      C-13-H3C(O)CH3
  305993.2473  0.0932 -6.0224 3 1384.1998A96  595161404685415 0    685316 0      C-13-H3C(O)CH3
  305998.4398  0.0342 -5.6825 3  451.8521648  595161404402713 1    402416 1      C-13-H3C(O)CH3
  306000.6181  0.1123 -6.1674 3  898.2527420  5951614045251 1 3    5250 2 3      C-13-H3C(O)CH3
  306006.7718  0.0089 -4.9409 3  576.0063404  595161404501536 4    501337 4      C-13-H3C(O)CH3
  306006.7718  0.0089 -4.9409 3  576.0063404  595161404501436 4    501437 4      C-13-H3C(O)CH3
  306006.7718  0.0089 -5.4990 3  576.0063404  595161404501536 4    501437 4      C-13-H3C(O)CH3
  306006.7718  0.0089 -5.4990 3  576.0063404  595161404501436 4    501337 4      C-13-H3C(O)CH3
  306006.8005  0.0089 -5.5405 3  576.0064404  595161404501536 3    501337 3      C-13-H3C(O)CH3
  306006.8005  0.0089 -5.5405 3  576.0064404  595161404501436 3    501437 3      C-13-H3C(O)CH3
  306006.8005  0.0089 -4.9301 3  576.0064404  595161404501436 3    501337 3      C-13-H3C(O)CH3
  306006.8005  0.0089 -4.9301 3  576.0064404  595161404501536 3    501437 3      C-13-H3C(O)CH3
  306072.5877  0.0433 -6.1663 3  367.9589292  595161404362511 4    362214 4      C-13-H3C(O)CH3
  306082.1111  0.0134 -6.1829 3  225.8147456  5951614042821 8 1    281811 1      C-13-H3C(O)CH3
  306131.2517  0.0723 -5.9042 3  669.7400396  595161404493118 4    492821 4      C-13-H3C(O)CH3
  306136.9251  0.0210 -5.8738 3  327.2157268  5951614043327 7 4    3228 5 4      C-13-H3C(O)CH3
  306159.2544  0.0139 -5.3704 3  218.7772456  5951614042819 9 1    2720 8 1      C-13-H3C(O)CH3
  306173.0285  0.0387 -5.6512 3  496.9972680  595161404422814 1    422517 1      C-13-H3C(O)CH3
  306177.4073  0.0184 -5.8747 3  327.2139268  5951614043327 7 3    3228 5 3      C-13-H3C(O)CH3
  306181.4929  0.0448 -5.6093 3  544.2933712  595161404442915 0    442618 0      C-13-H3C(O)CH3
  306182.9837  0.0718 -5.6770 3 1064.2961936  5951614045852 6 2    5851 7 2      C-13-H3C(O)CH3
  306194.3847  0.0188 -6.4745 3  225.7991228  5951614042821 8 3    281811 3      C-13-H3C(O)CH3
  306200.9236  0.0884 -6.1129 3  873.8827824  5951614045151 0 0    5150 2 0      C-13-H3C(O)CH3
  306200.9236  0.0884 -6.1129 3  873.8827824  5951614045151 1 0    5150 1 0      C-13-H3C(O)CH3
  306215.9217  0.1351 -6.4152 3 1529.4859612  595161404763739 4    763640 4      C-13-H3C(O)CH3
  306215.9404  0.1351 -6.4152 3 1529.4859612  595161404763839 4    763740 4      C-13-H3C(O)CH3
  306215.9765  0.1351 -6.4152 3 1529.4859612  595161404763739 3    763640 3      C-13-H3C(O)CH3
  306215.9954  0.1351 -6.4152 3 1529.4859612  595161404763839 3    763740 3      C-13-H3C(O)CH3
  306238.5663  0.0652 -5.6769 3 1064.2787936  5951614045852 7 0    5851 7 0      C-13-H3C(O)CH3
  306238.5663  0.0652 -5.6769 3 1064.2787936  5951614045852 6 0    5851 8 0      C-13-H3C(O)CH3
  306242.6165  0.0355 -5.8469 3  367.9759584  595161404362511 2    362214 2      C-13-H3C(O)CH3
  306246.8893  0.1442 -6.1141 3 1529.4718C24  595161404763739 1    763640 1      C-13-H3C(O)CH3
  306246.9085  0.1442 -6.1141 3 1529.4718C24  595161404763839 1    763740 1      C-13-H3C(O)CH3
  306250.2319  0.1393 -6.1142 3 1529.4750C24  595161404763739 2    763640 2      C-13-H3C(O)CH3
  306250.2472  0.1393 -6.1142 3 1529.4750C24  595161404763839 2    763740 2      C-13-H3C(O)CH3
  306272.6341  0.0892 -5.9780 3 1064.3239468  5951614045852 6 4    5851 7 4      C-13-H3C(O)CH3
  306274.7752  0.0750 -5.9780 3 1064.3148468  5951614045852 7 3    5851 7 3      C-13-H3C(O)CH3
  306281.1094  0.1455 -6.1139 3 1529.4610C24  595161404763739 0    763640 0      C-13-H3C(O)CH3
  306281.1250  0.1455 -6.1139 3 1529.4610C24  595161404763839 0    763740 0      C-13-H3C(O)CH3
  306317.4627  0.0085 -6.1090 3   30.8859184  5951614041110 1 0    10 7 4 0      C-13-H3C(O)CH3
  306323.4250  0.0915 -6.1129 3  873.9466824  5951614045151 0 1    5150 1 1      C-13-H3C(O)CH3
  306328.8646  0.0680 -5.6768 3 1064.3067936  5951614045852 6 1    5851 7 1      C-13-H3C(O)CH3
  306330.0324  0.0613 -5.6769 3 1064.2976936  5951614045852 7 1    5851 8 1      C-13-H3C(O)CH3
  306345.9752  0.0640 -5.6768 3 1064.2818936  5951614045852 7 2    5851 8 2      C-13-H3C(O)CH3
  306354.0955  0.0028 -4.4953 3   76.8337280 -5951614041712 5 1    1611 5 1      C-13-H3C(O)CH3
  306370.4324  0.0030 -4.6028 3   76.8308280 -5951614041712 5 2    1611 5 2      C-13-H3C(O)CH3
  306389.8269  0.0034 -4.4767 3   76.8716140  5951614041712 5 4    1611 5 4      C-13-H3C(O)CH3
  306436.4413  0.0768 -5.9778 3 1064.3096468  5951614045852 6 3    5851 8 3      C-13-H3C(O)CH3
  306438.1607  0.0775 -5.9778 3 1064.3006468  5951614045852 7 4    5851 8 4      C-13-H3C(O)CH3
  306477.4080  0.1163 -6.1123 3  873.8956824  5951614045151 1 2    5150 2 2      C-13-H3C(O)CH3
  306490.1784  0.0189 -6.5776 3  225.7991228  5951614042821 7 3    281811 3      C-13-H3C(O)CH3
  306498.3673  0.0132 -6.0962 3  490.0668696  595161404432222 1    422319 1      C-13-H3C(O)CH3
  306507.3075  0.0116 -6.0957 3  490.0881696  595161404432222 0    422319 0      C-13-H3C(O)CH3
  306511.2223  0.0059 -4.5017 3  545.9834792  595161404491336 0    491337 0      C-13-H3C(O)CH3
  306511.2223  0.0059 -4.5017 3  545.9834792  595161404491436 0    491237 0      C-13-H3C(O)CH3
  306511.2628  0.0059 -6.8888 3  545.9834792 -595161404491336 0    491237 0      C-13-H3C(O)CH3
  306511.2628  0.0059 -6.8888 3  545.9834792 -595161404491436 0    491337 0      C-13-H3C(O)CH3
  306519.3826  0.1047 -6.1124 3  873.9290824  5951614045151 1 1    5150 2 1      C-13-H3C(O)CH3
  306539.7129  0.0078 -4.5275 3  545.9537792 -595161404491436 2    491337 2      C-13-H3C(O)CH3
  306539.7129  0.0078 -4.5275 3  545.9537792 -595161404491336 2    491237 2      C-13-H3C(O)CH3
  306539.7222  0.0078 -5.7080 3  545.9537792  595161404491436 2    491237 2      C-13-H3C(O)CH3
  306539.7222  0.0078 -5.7080 3  545.9537792  595161404491336 2    491337 2      C-13-H3C(O)CH3
  306540.8718  0.0079 -4.4998 3  545.9543792  595161404491336 1    491337 1      C-13-H3C(O)CH3
  306540.8718  0.0079 -4.4998 3  545.9543792  595161404491436 1    491237 1      C-13-H3C(O)CH3
  306569.3394  0.0084 -5.2622 3  545.9245396  595161404491336 4    491337 4      C-13-H3C(O)CH3
  306569.3394  0.0084 -5.2622 3  545.9245396  595161404491436 4    491237 4      C-13-H3C(O)CH3
  306569.3394  0.0084 -4.9847 3  545.9245396  595161404491436 4    491337 4      C-13-H3C(O)CH3
  306569.3394  0.0084 -4.9847 3  545.9245396  595161404491336 4    491237 4      C-13-H3C(O)CH3
  306569.4198  0.0085 -4.9030 3  545.9245396  595161404491336 3    491337 3      C-13-H3C(O)CH3
  306569.4198  0.0085 -4.9030 3  545.9245396  595161404491436 3    491237 3      C-13-H3C(O)CH3
  306569.4198  0.0085 -5.4786 3  545.9245396  595161404491436 3    491337 3      C-13-H3C(O)CH3
  306569.4198  0.0085 -5.4786 3  545.9245396  595161404491336 3    491237 3      C-13-H3C(O)CH3
  306588.2828  0.1019 -6.1124 3  873.9368824  5951614045151 0 2    5150 1 2      C-13-H3C(O)CH3
  306590.6838  0.1020 -6.1064 3 1218.0431508  595161404635310 4    635211 4      C-13-H3C(O)CH3
  306592.2165  0.0463 -6.0369 3  408.8109308  595161404382612 3    382315 3      C-13-H3C(O)CH3
  306601.6650  0.1249 -6.4134 3  873.9595412  5951614045151 1 3    5150 2 3      C-13-H3C(O)CH3
  306602.5144  0.0178 -6.3954 3  490.0388348  595161404432222 4    422319 4      C-13-H3C(O)CH3
  306605.0991  0.0180 -6.3954 3  490.0388348  595161404432222 3    422319 3      C-13-H3C(O)CH3
  306612.3962  0.0152 -6.1967 3  225.8135456  5951614042821 8 2    281811 2      C-13-H3C(O)CH3
  306613.3420  0.0169 -6.0938 3  490.0601696  595161404432222 2    422319 2      C-13-H3C(O)CH3
  306649.1147  0.0019 -3.8347 3  149.7188220  59516140427 522 3    26 521 3      C-13-H3C(O)CH3
  306649.1147  0.0019 -3.8440 3  149.7188220  59516140427 622 3    26 621 3      C-13-H3C(O)CH3
  306649.1203  0.0019 -3.8280 3  149.7189220  59516140427 522 4    26 521 4      C-13-H3C(O)CH3
  306649.1203  0.0019 -6.8235 3  149.7189220  59516140427 622 4    26 521 4      C-13-H3C(O)CH3
  306649.1255  0.0019 -6.5459 3  149.7189220 -59516140427 522 4    26 621 4      C-13-H3C(O)CH3
  306649.1255  0.0019 -5.2578 3  149.7188220 -59516140427 522 3    26 621 3      C-13-H3C(O)CH3
  306649.1255  0.0019 -5.6136 3  149.7188220 -59516140427 622 3    26 521 3      C-13-H3C(O)CH3
  306649.1255  0.0019 -3.8284 3  149.7189220 -59516140427 622 4    26 621 4      C-13-H3C(O)CH3
  306654.3995  0.0876 -5.8052 3 1218.0207A16  595161404635310 2    635211 2      C-13-H3C(O)CH3
  306665.8787  0.0181 -5.0608 3  934.9333984  595161404612437 0    612338 0      C-13-H3C(O)CH3
  306665.8787  0.0181 -5.0628 3  934.9333984  595161404612537 0    612438 0      C-13-H3C(O)CH3
  306671.5871  0.0918 -6.1062 3 1218.0136508  595161404635310 3    635211 3      C-13-H3C(O)CH3
  306704.1379  0.0022 -3.5660 3  149.6993440 -59516140427 622 1    26 621 1      C-13-H3C(O)CH3
  306704.1379  0.0022 -4.5863 3  149.6993440 -59516140427 522 1    26 621 1      C-13-H3C(O)CH3
  306704.1657  0.0022 -3.5780 3  149.6993440  59516140427 522 1    26 521 1      C-13-H3C(O)CH3
  306704.1657  0.0022 -4.4767 3  149.6993440  59516140427 622 1    26 521 1      C-13-H3C(O)CH3
  306704.7646  0.0022 -3.5346 3  149.6985440  59516140427 522 2    26 621 2      C-13-H3C(O)CH3
  306704.7646  0.0022 -3.5341 3  149.6985440  59516140427 622 2    26 521 2      C-13-H3C(O)CH3
  306704.8081  0.0022 -5.2587 3  149.6985440 -59516140427 622 2    26 621 2      C-13-H3C(O)CH3
  306704.8081  0.0022 -5.2832 3  149.6985440 -59516140427 522 2    26 521 2      C-13-H3C(O)CH3
  306709.4312  0.0205 -5.0790 3  934.9397984  595161404612537 1    612438 1      C-13-H3C(O)CH3
  306709.4312  0.0205 -6.4086 3  934.9397984  595161404612537 1    612338 1      C-13-H3C(O)CH3
  306709.4312  0.0205 -6.3792 3  934.9397984  595161404612437 1    612438 1      C-13-H3C(O)CH3
  306709.4312  0.0205 -5.0804 3  934.9397984  595161404612437 1    612338 1      C-13-H3C(O)CH3
  306710.7662  0.0903 -6.1061 3 1218.0036508  595161404635311 3    635212 3      C-13-H3C(O)CH3
  306712.9360  0.0252 -6.1309 3  934.9401984  595161404612437 2    612438 2      C-13-H3C(O)CH3
  306712.9360  0.0252 -5.0953 3  934.9401984  595161404612537 2    612438 2      C-13-H3C(O)CH3
  306712.9360  0.0252 -5.0942 3  934.9401984  595161404612537 2    612338 2      C-13-H3C(O)CH3
  306712.9360  0.0252 -6.1429 3  934.9401984  595161404612437 2    612338 2      C-13-H3C(O)CH3
  306713.2785  0.1102 -6.4135 3  874.0008412  5951614045151 0 4    5150 1 4      C-13-H3C(O)CH3
  306756.5694  0.0240 -5.3621 3  934.9465492  595161404612437 3    612338 3      C-13-H3C(O)CH3
  306756.5694  0.0240 -5.3624 3  934.9465492  595161404612537 3    612438 3      C-13-H3C(O)CH3
  306756.6978  0.0242 -5.3637 3  934.9465492  595161404612537 4    612338 4      C-13-H3C(O)CH3
  306756.6978  0.0242 -5.3627 3  934.9465492  595161404612437 4    612438 4      C-13-H3C(O)CH3
  306757.5121  0.0178 -6.4459 3  630.9172792  595161404492326 1    482623 1      C-13-H3C(O)CH3
  306759.6827  0.0019 -3.7665 3  149.6790440  59516140427 622 0    26 521 0      C-13-H3C(O)CH3
  306759.6827  0.0019 -3.7929 3  149.6790440  59516140427 522 0    26 621 0      C-13-H3C(O)CH3
  306759.7203  0.0019 -3.8648 3  149.6790440 -59516140427 622 0    26 621 0      C-13-H3C(O)CH3
  306759.7203  0.0019 -3.8982 3  149.6790440 -59516140427 522 0    26 521 0      C-13-H3C(O)CH3
  306761.4743  0.0146 -6.4461 3  630.9294792  595161404492326 0    482623 0      C-13-H3C(O)CH3
  306763.6622  0.0818 -5.8050 3 1218.0188A16  595161404635310 1    635211 1      C-13-H3C(O)CH3
  306774.1391  0.0782 -5.8049 3 1217.9812A16  595161404635311 2    635212 2      C-13-H3C(O)CH3
  306785.8781  0.0225 -6.7453 3  630.9026396  595161404492326 3    482623 3      C-13-H3C(O)CH3
  306785.9846  0.0226 -6.7453 3  630.9026396  595161404492326 4    482623 4      C-13-H3C(O)CH3
  306789.5351  0.0242 -5.7954 3  218.7430228  5951614042819 9 4    2720 8 4      C-13-H3C(O)CH3
  306790.0935  0.0210 -6.4444 3  630.9148792  595161404492326 2    482623 2      C-13-H3C(O)CH3
  306791.3411  0.0994 -6.1060 3 1217.9742508  595161404635311 4    635212 4      C-13-H3C(O)CH3
  306795.2711  0.2335 -6.7394 3 1644.0785604  595161404755619 3    755520 3      C-13-H3C(O)CH3
  306795.8403  0.0051 -6.1555 3   22.7998100  59516140412 210 3    11 111 3      C-13-H3C(O)CH3
  306795.8607  0.0051 -6.1555 3   22.7998100  59516140412 310 3    11 011 3      C-13-H3C(O)CH3
  306795.9566  0.0449 -5.7943 3  408.8299616  595161404382612 2    382315 2      C-13-H3C(O)CH3
  306796.1246  0.0062 -6.1555 3   22.7998100  59516140412 210 4    11 111 4      C-13-H3C(O)CH3
  306796.1446  0.0062 -6.1555 3   22.7998100  59516140412 310 4    11 011 4      C-13-H3C(O)CH3
  306797.2697  0.0449 -5.6301 3  544.2700712  595161404442915 1    442618 1      C-13-H3C(O)CH3
  306798.4466  0.1526 -6.4129 3  873.9418412  5951614045151 1 4    5150 2 4      C-13-H3C(O)CH3
  306804.2318  0.2869 -6.7395 3 1644.1232604  595161404755619 4    755520 4      C-13-H3C(O)CH3
  306823.7414  0.0077 -6.0940 3  212.6110228  595161404281712 4    281415 4      C-13-H3C(O)CH3
  306826.5092  0.0735 -5.8048 3 1217.9964A16  595161404635311 0    635211 0      C-13-H3C(O)CH3
  306826.5092  0.0735 -5.8048 3 1217.9964A16  595161404635310 0    635212 0      C-13-H3C(O)CH3
  306830.5954  0.0068 -6.0940 3  212.6110228  595161404281712 3    281415 3      C-13-H3C(O)CH3
  306843.8641  0.0751 -5.8049 3 1217.9894A16  595161404635311 1    635212 1      C-13-H3C(O)CH3
  306849.2071  0.0070 -5.7913 3  212.6214456  595161404281712 2    281415 2      C-13-H3C(O)CH3
  306861.1649  0.0030 -3.9112 3   73.5307132  5951614041614 2 3    1513 2 3      C-13-H3C(O)CH3
  306866.9593  0.0553 -5.9766 3  451.8143324  595161404402713 3    402416 3      C-13-H3C(O)CH3
  306870.3241  0.0027 -3.9109 3   73.6053132  5951614041614 2 4    1513 2 4      C-13-H3C(O)CH3
  306871.9425  0.1907 -6.7391 3 1644.0251604  595161404755620 4    755521 4      C-13-H3C(O)CH3
  306871.9936  0.0098 -6.5263 3   30.9344184  5951614041110 1 1    10 7 4 1      C-13-H3C(O)CH3
  306878.8790  0.0069 -5.7917 3  212.6250456  595161404281712 1    281415 1      C-13-H3C(O)CH3
  306879.3199  0.0033 -3.9110 3   73.4501132  5951614041614 3 4    1513 3 4      C-13-H3C(O)CH3
  306880.8822  0.2502 -6.7392 3 1644.0697604  595161404755620 3    755521 3      C-13-H3C(O)CH3
  306887.8688  0.0032 -3.9110 3   73.5246132  5951614041614 3 3    1513 3 3      C-13-H3C(O)CH3
  306899.6774  0.0069 -5.7898 3  212.6354456  595161404281712 0    281415 0      C-13-H3C(O)CH3
  306910.0716  0.1269 -6.4129 3  873.9831412  5951614045151 0 3    5150 1 3      C-13-H3C(O)CH3
  306911.8107  0.0147 -6.4456 3  630.9244792  595161404492426 0    482523 0      C-13-H3C(O)CH3
  306914.2120  0.0176 -6.4454 3  630.9120792  595161404492426 1    482523 1      C-13-H3C(O)CH3
  306920.5878  0.0566 -5.7389 3  451.8354648  595161404402713 2    402416 2      C-13-H3C(O)CH3
  306926.3955  0.0525 -6.1299 3  408.8108308  595161404382612 4    382315 4      C-13-H3C(O)CH3
  306930.6956  0.0097 -6.5136 3   30.9352184  5951614041110 1 2    10 7 4 2      C-13-H3C(O)CH3
  306932.9260  0.0173 -6.8821 3  134.8450344  5951614042119 2 1    2116 5 1      C-13-H3C(O)CH3
  306948.0355  0.0069 -5.8980 3  198.9358440  595161404271711 2    2618 9 2      C-13-H3C(O)CH3
  306949.3298  0.0217 -6.4439 3  630.9095792  595161404492426 2    482523 2      C-13-H3C(O)CH3
  306951.6195  0.0233 -6.7448 3  630.8971396  595161404492426 4    482523 4      C-13-H3C(O)CH3
  306951.9059  0.0232 -6.7448 3  630.8971396  595161404492426 3    482523 3      C-13-H3C(O)CH3
  306966.7378  0.2440 -6.4381 3 1644.1056C08  595161404755619 1    755520 1      C-13-H3C(O)CH3
  307018.8135  0.0710 -5.6894 3  496.9812680  595161404422814 2    422517 2      C-13-H3C(O)CH3
  307031.4429  0.0084 -5.2315 3   42.7566216  5951614041310 4 0    12 7 5 0      C-13-H3C(O)CH3
  307035.0798  0.0173 -6.8802 3  134.7938344  5951614042119 3 2    2116 6 2      C-13-H3C(O)CH3
  307043.5430  0.2080 -6.4378 3 1644.0522C08  595161404755620 1    755521 1      C-13-H3C(O)CH3
  307047.7686  0.0173 -6.8778 3  134.7811344  5951614042119 3 1    2116 6 1      C-13-H3C(O)CH3
  307049.6481  0.0139 -6.2625 3  225.8147456  5951614042821 7 1    281811 1      C-13-H3C(O)CH3
  307065.7343  0.0621 -5.8803 3 1236.8711556  595161404693138 3    693039 3      C-13-H3C(O)CH3
  307065.7344  0.0621 -5.8803 3 1236.8711556  595161404693238 3    693139 3      C-13-H3C(O)CH3
  307065.7536  0.0621 -5.8803 3 1236.8711556  595161404693138 4    693039 4      C-13-H3C(O)CH3
  307065.7537  0.0621 -5.8803 3 1236.8711556  595161404693238 4    693139 4      C-13-H3C(O)CH3
  307067.5416  0.1971 -6.4377 3 1644.0595C08  595161404755620 2    755521 2      C-13-H3C(O)CH3
  307073.3651  0.0583 -5.5793 3 1236.8512B12  595161404693138 1    693039 1      C-13-H3C(O)CH3
  307073.3652  0.0583 -5.5793 3 1236.8512B12  595161404693238 1    693139 1      C-13-H3C(O)CH3
  307076.3939  0.2517 -6.4378 3 1644.1042C08  595161404755619 2    755520 2      C-13-H3C(O)CH3
  307076.4342  0.0058 -4.4715 3  516.4878776 -595161404481336 0    481237 0      C-13-H3C(O)CH3
  307076.4342  0.0058 -4.4715 3  516.4878776 -595161404481236 0    481137 0      C-13-H3C(O)CH3
  307076.4516  0.0058 -6.7876 3  516.4878776  595161404481336 0    481137 0      C-13-H3C(O)CH3
  307076.4516  0.0058 -6.7876 3  516.4878776  595161404481236 0    481237 0      C-13-H3C(O)CH3
  307078.0741  0.0615 -5.5794 3 1236.8532B12  595161404693138 2    693039 2      C-13-H3C(O)CH3
  307078.0742  0.0615 -5.5794 3 1236.8532B12  595161404693238 2    693139 2      C-13-H3C(O)CH3
  307085.6821  0.0076 -4.5885 3  516.4576776  595161404481336 2    481137 2      C-13-H3C(O)CH3
  307085.6821  0.0076 -5.0888 3  516.4576776  595161404481336 2    481237 2      C-13-H3C(O)CH3
  307085.6821  0.0076 -5.0888 3  516.4576776  595161404481236 2    481137 2      C-13-H3C(O)CH3
  307085.6821  0.0076 -4.5885 3  516.4576776  595161404481236 2    481237 2      C-13-H3C(O)CH3
  307085.7326  0.0580 -5.5792 3 1236.8334B12  595161404693138 0    693039 0      C-13-H3C(O)CH3
  307085.7327  0.0580 -5.5792 3 1236.8334B12  595161404693238 0    693139 0      C-13-H3C(O)CH3
  307087.0379  0.0077 -4.5622 3  516.4582776  595161404481336 1    481137 1      C-13-H3C(O)CH3
  307087.0379  0.0077 -5.1845 3  516.4582776  595161404481336 1    481237 1      C-13-H3C(O)CH3
  307087.0379  0.0077 -5.1845 3  516.4582776  595161404481236 1    481137 1      C-13-H3C(O)CH3
  307087.0379  0.0077 -4.5622 3  516.4582776  595161404481236 1    481237 1      C-13-H3C(O)CH3
  307087.6175  0.0026 -3.6091 3   73.5561264 -5951614041614 2 1    1513 2 1      C-13-H3C(O)CH3
  307090.8183  0.0119 -5.6858 3  288.6380520  595161404322211 1    321914 1      C-13-H3C(O)CH3
  307096.1546  0.0080 -4.9364 3  516.4279388  595161404481336 4    481137 4      C-13-H3C(O)CH3
  307096.1546  0.0080 -4.9364 3  516.4279388  595161404481236 4    481237 4      C-13-H3C(O)CH3
  307096.2629  0.0080 -5.2677 3  516.4279388 -595161404481336 4    481237 4      C-13-H3C(O)CH3
  307096.2629  0.0080 -4.9829 3  516.4280388 -595161404481336 3    481137 3      C-13-H3C(O)CH3
  307096.2629  0.0080 -4.9829 3  516.4280388 -595161404481236 3    481237 3      C-13-H3C(O)CH3
  307096.2629  0.0080 -5.2677 3  516.4279388 -595161404481236 4    481137 4      C-13-H3C(O)CH3
  307096.2910  0.0080 -5.1823 3  516.4280388  595161404481336 3    481237 3      C-13-H3C(O)CH3
  307096.2910  0.0080 -5.1823 3  516.4280388  595161404481236 3    481137 3      C-13-H3C(O)CH3
  307104.8038  0.0029 -3.6091 3   73.4756264 -5951614041614 3 1    1513 3 1      C-13-H3C(O)CH3
  307111.6746  0.0074 -6.5999 3  198.9200220  595161404271711 3    2618 9 3      C-13-H3C(O)CH3
  307127.5705  0.0028 -3.6090 3   73.4869264 -5951614041614 3 2    1513 3 2      C-13-H3C(O)CH3
  307137.0230  0.0028 -3.6088 3   73.5614264 -5951614041614 2 2    1513 2 2      C-13-H3C(O)CH3
  307142.0169  0.0067 -5.8528 3   22.7263200  59516140412 210 2    11 111 2      C-13-H3C(O)CH3
  307142.0382  0.0067 -5.8528 3   22.7263200  59516140412 310 2    11 011 2      C-13-H3C(O)CH3
  307143.9233  0.0108 -5.9211 3  225.8294456  5951614042821 8 0    281811 0      C-13-H3C(O)CH3
  307144.3948  0.0668 -5.9391 3  496.9586340  595161404422814 3    422517 3      C-13-H3C(O)CH3
  307144.5058  0.0066 -5.8531 3   22.7268200  59516140412 210 1    11 111 1      C-13-H3C(O)CH3
  307144.5264  0.0066 -5.8531 3   22.7268200  59516140412 310 1    11 011 1      C-13-H3C(O)CH3
  307182.4539  0.0148 -5.9969 3  288.6142260  595161404322211 3    321914 3      C-13-H3C(O)CH3
  307192.8958  0.0209 -6.5740 3  225.7982228  5951614042821 7 4    281811 4      C-13-H3C(O)CH3
  307220.3782  0.0157 -5.9809 3  288.6141260  595161404322211 4    321914 4      C-13-H3C(O)CH3
  307238.9463  0.2335 -6.4375 3 1644.0867C08  595161404755619 0    755520 0      C-13-H3C(O)CH3
  307238.9467  0.2335 -6.4375 3 1644.0867C08  595161404755620 0    755521 0      C-13-H3C(O)CH3
  307285.4880  0.0153 -6.2515 3  225.8135456  5951614042821 7 2    281811 2      C-13-H3C(O)CH3
  307290.8933  0.0075 -5.6055 3  198.9272440  595161404271711 1    2618 9 1      C-13-H3C(O)CH3
  307298.3500  0.0160 -6.8848 3  134.8477344  5951614042119 2 2    2116 5 2      C-13-H3C(O)CH3
  307308.7894  0.2236 -6.8303 3 1752.3056652  595161404814140 4    814041 4      C-13-H3C(O)CH3
  307308.8639  0.2236 -6.8303 3 1752.3055652  595161404814140 3    814041 3      C-13-H3C(O)CH3
  307309.0496  0.2236 -6.8303 3 1752.3056652  595161404814240 4    814141 4      C-13-H3C(O)CH3
  307309.1242  0.2236 -6.8303 3 1752.3055652  595161404814240 3    814141 3      C-13-H3C(O)CH3
  307332.9845  0.0645 -6.0835 3  451.8144324  595161404402713 4    402416 4      C-13-H3C(O)CH3
  307336.5149  0.2391 -6.5292 3 1752.3010D04  595161404814140 1    814041 1      C-13-H3C(O)CH3
  307336.7882  0.2391 -6.5292 3 1752.3010D04  595161404814240 1    814141 1      C-13-H3C(O)CH3
  307339.0844  0.2305 -6.5292 3 1752.3040D04  595161404814140 2    814041 2      C-13-H3C(O)CH3
  307339.3084  0.2304 -6.5292 3 1752.3040D04  595161404814240 2    814141 2      C-13-H3C(O)CH3
  307350.0904  0.0027 -3.6080 3   73.5123264 -5951614041614 3 0    1513 2 0      C-13-H3C(O)CH3
  307356.4795  0.0027 -3.6080 3   73.5122264 -5951614041614 2 0    1513 3 0      C-13-H3C(O)CH3
  307366.6638  0.2410 -6.5291 3 1752.2995D04  595161404814140 0    814041 0      C-13-H3C(O)CH3
  307366.8993  0.2410 -6.5291 3 1752.2995D04  595161404814240 0    814141 0      C-13-H3C(O)CH3
  307382.1809  0.0755 -5.6821 3 1037.0623920  5951614045752 5 2    5751 6 2      C-13-H3C(O)CH3
  307388.1818  0.0098 -5.6631 3  288.6561520  595161404322211 0    321914 0      C-13-H3C(O)CH3
  307391.5723  0.0658 -5.6821 3 1037.0467920  5951614045752 5 0    5751 6 0      C-13-H3C(O)CH3
  307391.5723  0.0658 -5.6821 3 1037.0467920  5951614045752 6 0    5751 7 0      C-13-H3C(O)CH3
  307485.1586  0.0805 -5.9832 3 1037.0876460  5951614045752 6 3    5751 6 3      C-13-H3C(O)CH3
  307489.9336  0.0070 -5.8514 3   22.6535200  59516140412 210 0    11 111 0      C-13-H3C(O)CH3
  307489.9553  0.0070 -5.8514 3   22.6535200  59516140412 310 0    11 011 0      C-13-H3C(O)CH3
  307493.9778  0.0634 -5.6821 3 1037.0721920  5951614045752 6 1    5751 7 1      C-13-H3C(O)CH3
  307494.3999  0.0240 -5.8854 3  374.0122600  595161404372116 2    362413 2      C-13-H3C(O)CH3
  307504.5278  0.0103 -5.6657 3  288.6323520  595161404322211 2    321914 2      C-13-H3C(O)CH3
  307512.2598  0.0966 -5.9830 3 1037.0924460  5951614045752 5 4    5751 6 4      C-13-H3C(O)CH3
  307519.0624  0.1448 -6.2810 3 1352.0231540  595161404675413 4    675314 4      C-13-H3C(O)CH3
  307522.0092  0.0707 -5.6820 3 1037.0770920  5951614045752 5 1    5751 6 1      C-13-H3C(O)CH3
  307526.0821  0.0290 -6.1844 3  373.9902300  595161404372116 3    362413 3      C-13-H3C(O)CH3
  307532.2773  0.0878 -5.6536 3  544.2554712  595161404442915 2    442618 2      C-13-H3C(O)CH3
  307546.9489  0.0652 -5.6820 3 1037.0557920  5951614045752 6 2    5751 7 2      C-13-H3C(O)CH3
  307570.7076  0.0257 -6.1901 3  373.9889300  595161404372116 4    362413 4      C-13-H3C(O)CH3
  307580.6103  0.0066 -4.2485 3   65.1763264 -5951614041610 6 2    15 9 7 2      C-13-H3C(O)CH3
  307588.5903  0.0077 -6.3413 3  487.5179380  595161404471136 4    471037 4      C-13-H3C(O)CH3
  307588.5903  0.0077 -4.7551 3  487.5179380  595161404471136 4    471137 4      C-13-H3C(O)CH3
  307588.5903  0.0077 -4.7551 3  487.5179380  595161404471236 4    471037 4      C-13-H3C(O)CH3
  307588.5903  0.0077 -6.3413 3  487.5179380  595161404471236 4    471137 4      C-13-H3C(O)CH3
  307588.7841  0.0076 -4.8228 3  487.5180380  595161404471136 3    471137 3      C-13-H3C(O)CH3
  307588.7841  0.0076 -5.5237 3  487.5180380  595161404471136 3    471037 3      C-13-H3C(O)CH3
  307588.7841  0.0076 -4.8228 3  487.5180380  595161404471236 3    471037 3      C-13-H3C(O)CH3
  307588.7841  0.0076 -5.5237 3  487.5180380  595161404471236 3    471137 3      C-13-H3C(O)CH3
  307591.3460  0.1151 -6.2807 3 1351.9740540  595161404675414 3    675315 3      C-13-H3C(O)CH3
  307596.0298  0.0583 -5.6110 3  593.6817744  595161404463016 0    462719 0      C-13-H3C(O)CH3
  307601.7632  0.0075 -4.5537 3  487.5470760  595161404471236 2    471037 2      C-13-H3C(O)CH3
  307601.7632  0.0075 -5.0904 3  487.5470760  595161404471236 2    471137 2      C-13-H3C(O)CH3
  307601.7632  0.0075 -4.5537 3  487.5470760  595161404471136 2    471137 2      C-13-H3C(O)CH3
  307601.7632  0.0075 -5.0904 3  487.5470760  595161404471136 2    471037 2      C-13-H3C(O)CH3
  307603.2661  0.0076 -4.4611 3  487.5476760  595161404471236 1    471137 1      C-13-H3C(O)CH3
  307603.2661  0.0076 -5.8303 3  487.5476760  595161404471136 1    471137 1      C-13-H3C(O)CH3
  307603.2661  0.0076 -4.4611 3  487.5476760  595161404471136 1    471037 1      C-13-H3C(O)CH3
  307603.2661  0.0076 -5.8303 3  487.5476760  595161404471236 1    471037 1      C-13-H3C(O)CH3
  307607.1517  0.0132 -5.6738 3  198.9028220  595161404271711 4    2618 9 4      C-13-H3C(O)CH3
  307616.0889  0.0058 -6.4812 3  487.5766760 -595161404471136 0    471037 0      C-13-H3C(O)CH3
  307616.0889  0.0058 -6.4812 3  487.5766760 -595161404471236 0    471137 0      C-13-H3C(O)CH3
  307616.2342  0.0058 -4.4469 3  487.5766760  595161404471236 0    471037 0      C-13-H3C(O)CH3
  307616.2342  0.0058 -4.4469 3  487.5766760  595161404471136 0    471137 0      C-13-H3C(O)CH3
  307626.8030  0.0058 -4.2458 3   65.1421264 -5951614041610 6 0    15 9 7 0      C-13-H3C(O)CH3
  307628.1689  0.1309 -6.2807 3 1351.9809540  595161404675413 3    675314 3      C-13-H3C(O)CH3
  307635.6117  0.0114 -6.9470 3   30.9791 92  5951614041110 1 4    10 7 4 4      C-13-H3C(O)CH3
  307636.4198  0.0072 -4.5528 3   65.2128132  5951614041610 6 3    15 9 7 3      C-13-H3C(O)CH3
  307638.0186  0.2081 -6.4940 3 1494.0361572  595161404715516 4    715417 4      C-13-H3C(O)CH3
  307640.8441  0.0161 -5.7882 3  898.4712968  595161404602337 0    602338 0      C-13-H3C(O)CH3
  307640.8441  0.0161 -5.0750 3  898.4712968  595161404602337 0    602238 0      C-13-H3C(O)CH3
  307640.8441  0.0161 -5.0750 3  898.4712968  595161404602437 0    602338 0      C-13-H3C(O)CH3
  307640.8441  0.0161 -5.7882 3  898.4712968  595161404602437 0    602238 0      C-13-H3C(O)CH3
  307650.3548  0.0793 -5.9830 3 1037.0810460  5951614045752 6 4    5751 7 4      C-13-H3C(O)CH3
  307662.9130  0.1575 -6.4939 3 1493.9857572  595161404715517 3    715417 3      C-13-H3C(O)CH3
  307670.5115  0.0795 -6.0367 3  496.9588340  595161404422814 4    422517 4      C-13-H3C(O)CH3
  307677.9367  0.0812 -5.9828 3 1037.0859460  5951614045752 5 3    5751 7 3      C-13-H3C(O)CH3
  307680.0595  0.1224 -5.9796 3 1352.0031A80  595161404675413 2    675314 2      C-13-H3C(O)CH3
  307692.0503  0.0186 -4.9980 3  898.4744968  595161404602437 1    602238 1      C-13-H3C(O)CH3
  307692.0503  0.0186 -4.9980 3  898.4744968  595161404602337 1    602338 1      C-13-H3C(O)CH3
  307695.1666  0.0226 -4.9983 3  898.4746968  595161404602337 2    602338 2      C-13-H3C(O)CH3
  307695.1666  0.0226 -4.9983 3  898.4746968  595161404602437 2    602238 2      C-13-H3C(O)CH3
  307700.1619  0.1228 -6.2805 3 1351.9318540  595161404675414 4    675315 4      C-13-H3C(O)CH3
  307714.3340  0.0020 -3.9563 3  153.5883228  59516140428 524 3    27 423 3      C-13-H3C(O)CH3
  307714.3340  0.0020 -3.7986 3  153.5883228  59516140428 424 3    27 523 3      C-13-H3C(O)CH3
  307714.3494  0.0020 -4.8382 3  153.5883228  59516140428 424 4    27 523 4      C-13-H3C(O)CH3
  307714.3494  0.0020 -4.8382 3  153.5883228  59516140428 524 4    27 423 4      C-13-H3C(O)CH3
  307714.3748  0.0020 -3.8290 3  153.5883228 -59516140428 424 4    27 423 4      C-13-H3C(O)CH3
  307714.3748  0.0020 -4.2826 3  153.5883228 -59516140428 424 3    27 423 3      C-13-H3C(O)CH3
  307714.3748  0.0020 -5.4253 3  153.5883228 -59516140428 524 3    27 523 3      C-13-H3C(O)CH3
  307714.3748  0.0020 -3.8290 3  153.5883228 -59516140428 524 4    27 523 4      C-13-H3C(O)CH3
  307723.8934  0.1096 -5.9795 3 1351.9969A80  595161404675413 1    675314 1      C-13-H3C(O)CH3
  307725.5196  0.0064 -4.2506 3   65.1781264  5951614041610 6 1    15 9 7 1      C-13-H3C(O)CH3
  307726.9849  0.0082 -4.5559 3   65.2119132  5951614041610 6 4    15 9 7 4      C-13-H3C(O)CH3
  307742.3523  0.0083 -5.6811 3   42.8110216  5951614041310 3 1    12 7 5 1      C-13-H3C(O)CH3
  307745.8333  0.1845 -6.4937 3 1493.9854572  595161404715516 3    715418 3      C-13-H3C(O)CH3
  307746.4593  0.0212 -6.9728 3  898.4778484  595161404602337 3    602338 3      C-13-H3C(O)CH3
  307746.4593  0.0212 -6.9728 3  898.4778484  595161404602437 3    602238 3      C-13-H3C(O)CH3
  307746.4593  0.0212 -5.3081 3  898.4778484  595161404602437 3    602338 3      C-13-H3C(O)CH3
  307746.4593  0.0212 -5.3081 3  898.4778484  595161404602337 3    602238 3      C-13-H3C(O)CH3
  307746.5973  0.0213 -5.3073 3  898.4778484  595161404602437 4    602338 4      C-13-H3C(O)CH3
  307746.5973  0.0213 -5.3022 3  898.4778484  595161404602337 4    602238 4      C-13-H3C(O)CH3
  307752.2412  0.0941 -5.9794 3 1351.9540A80  595161404675414 2    675315 2      C-13-H3C(O)CH3
  307762.7470  0.0023 -4.6636 3  153.5631456  59516140428 524 1    27 523 1      C-13-H3C(O)CH3
  307762.7470  0.0023 -3.5172 3  153.5631456  59516140428 424 1    27 523 1      C-13-H3C(O)CH3
  307762.7778  0.0023 -3.5172 3  153.5631456 -59516140428 524 1    27 423 1      C-13-H3C(O)CH3
  307762.7778  0.0023 -4.6636 3  153.5631456 -59516140428 424 1    27 423 1      C-13-H3C(O)CH3
  307763.1158  0.0023 -4.5935 3  153.5625456  59516140428 424 2    27 523 2      C-13-H3C(O)CH3
  307763.1158  0.0023 -4.5935 3  153.5625456  59516140428 524 2    27 423 2      C-13-H3C(O)CH3
  307763.1893  0.0023 -3.5227 3  153.5625456 -59516140428 524 2    27 523 2      C-13-H3C(O)CH3
  307763.1893  0.0023 -3.5227 3  153.5625456 -59516140428 424 2    27 423 2      C-13-H3C(O)CH3
  307770.5377  0.1482 -6.4936 3 1493.9351572  595161404715517 4    715418 4      C-13-H3C(O)CH3
  307774.2846  0.0142 -5.3532 3  301.5185520  5951614043225 8 0    3126 5 0      C-13-H3C(O)CH3
  307774.7625  0.0142 -5.3532 3  301.5185520  5951614043225 7 0    3126 6 0      C-13-H3C(O)CH3
  307789.4013  0.3122 -6.9463 3 1764.4953628  595161404785721 3    785622 3      C-13-H3C(O)CH3
  307800.0242  0.3619 -6.9463 3 1764.5329628  595161404785721 4    785622 4      C-13-H3C(O)CH3
  307811.4111  0.0020 -3.4872 3  153.5373456 -59516140428 524 0    27 523 0      C-13-H3C(O)CH3
  307811.4111  0.0020 -3.4872 3  153.5373456 -59516140428 424 0    27 423 0      C-13-H3C(O)CH3
  307812.8805  0.0183 -6.8818 3  134.8283344  5951614042119 2 0    2116 5 0      C-13-H3C(O)CH3
  307816.0101  0.0060 -6.7978 3   99.1311164  59516140420 911 3    20 614 3      C-13-H3C(O)CH3
  307817.2678  0.0082 -6.7978 3   99.1311164  59516140420 911 4    20 614 4      C-13-H3C(O)CH3
  307832.6178  0.0993 -5.9792 3 1351.9547A80  595161404675414 1    675315 1      C-13-H3C(O)CH3
  307835.3614  0.1575 -6.1926 3 1494.0120B44  595161404715516 1    715417 1      C-13-H3C(O)CH3
  307841.6093  0.0802 -5.9209 3  544.2319356  595161404442915 3    442618 3      C-13-H3C(O)CH3
  307843.3660  0.2426 -6.9460 3 1764.4438628  595161404785722 4    785623 4      C-13-H3C(O)CH3
  307852.4646  0.0082 -5.7049 3   42.8063216  5951614041310 3 2    12 7 5 2      C-13-H3C(O)CH3
  307853.7666  0.3112 -6.9461 3 1764.4813628  595161404785722 3    785623 3      C-13-H3C(O)CH3
  307871.2156  0.1754 -6.1925 3 1494.0170B44  595161404715516 2    715417 2      C-13-H3C(O)CH3
  307884.3086  0.0870 -5.9791 3 1351.9769A80  595161404675413 0    675315 0      C-13-H3C(O)CH3
  307884.3086  0.0870 -5.9791 3 1351.9769A80  595161404675414 0    675314 0      C-13-H3C(O)CH3
  307894.9278  0.0183 -6.8816 3  134.8255344  5951614042119 3 0    2116 6 0      C-13-H3C(O)CH3
  307896.1266  0.1271 -6.1923 3 1493.9666B44  595161404715517 2    715418 2      C-13-H3C(O)CH3
  307927.9754  0.0188 -5.8708 3  374.0315600  595161404372116 0    362413 0      C-13-H3C(O)CH3
  307934.2353  0.3426 -6.6450 3 1764.5238C56  595161404785721 1    785622 1      C-13-H3C(O)CH3
  307943.0715  0.1398 -6.1923 3 1493.9614B44  595161404715517 1    715418 1      C-13-H3C(O)CH3
  307964.3669  0.0060 -6.7975 3   99.1311164  595161404201011 3    20 714 3      C-13-H3C(O)CH3
  307964.5720  0.0081 -6.7975 3   99.1311164  595161404201011 4    20 714 4      C-13-H3C(O)CH3
  307974.8311  0.0206 -5.8721 3  374.0090600  595161404372116 1    362413 1      C-13-H3C(O)CH3
  307985.6597  0.0141 -5.3532 3  301.4669520  5951614043225 8 1    3126 6 1      C-13-H3C(O)CH3
  307988.3248  0.2852 -6.6448 3 1764.4723C56  595161404785722 1    785623 1      C-13-H3C(O)CH3
  307995.1041  0.0134 -5.3517 3  301.4874520  5951614043225 7 2    3126 5 2      C-13-H3C(O)CH3
  308032.0874  0.0102 -6.9519 3  288.6380520  595161404322210 1    321914 1      C-13-H3C(O)CH3
  308047.9481  0.0074 -5.7314 3  459.1956372  595161404461036 4    46 937 4      C-13-H3C(O)CH3
  308047.9481  0.0074 -4.7673 3  459.1956372  595161404461036 4    461037 4      C-13-H3C(O)CH3
  308047.9481  0.0074 -4.7673 3  459.1956372  595161404461136 4    46 937 4      C-13-H3C(O)CH3
  308047.9481  0.0074 -5.7314 3  459.1956372  595161404461136 4    461037 4      C-13-H3C(O)CH3
  308048.1969  0.0073 -5.3325 3  459.1956372  595161404461036 3    46 937 3      C-13-H3C(O)CH3
  308048.1969  0.0073 -4.8448 3  459.1956372  595161404461036 3    461037 3      C-13-H3C(O)CH3
  308048.1969  0.0073 -4.8448 3  459.1956372  595161404461136 3    46 937 3      C-13-H3C(O)CH3
  308048.1969  0.0073 -5.3325 3  459.1956372  595161404461136 3    461037 3      C-13-H3C(O)CH3
  308055.3775  0.0386 -5.8790 3  536.7074356  595161404442717 3    442420 3      C-13-H3C(O)CH3
  308068.3188  0.1323 -6.1921 3 1493.9930B44  595161404715517 0    715418 0      C-13-H3C(O)CH3
  308068.3188  0.1323 -6.1921 3 1493.9930B44  595161404715516 0    715417 0      C-13-H3C(O)CH3
  308069.8761  0.2755 -6.6446 3 1764.4784C56  595161404785722 2    785623 2      C-13-H3C(O)CH3
  308075.3890  0.0342 -5.5795 3  536.7266712  595161404442717 2    442420 2      C-13-H3C(O)CH3
  308075.3954  0.0060 -6.4931 3   99.1034328  59516140420 911 2    20 614 2      C-13-H3C(O)CH3
  308077.3693  0.0354 -5.8792 3  536.7075356  595161404442717 4    442420 4      C-13-H3C(O)CH3
  308078.3141  0.0044 -4.9533 3   45.8799116  59516140414 7 7 3    13 6 8 3      C-13-H3C(O)CH3
  308080.2968  0.3328 -6.6447 3 1764.5160C56  595161404785721 2    785622 2      C-13-H3C(O)CH3
  308080.5152  0.1197 -6.3284 3 1484.5087604  595161404753639 4    753540 4      C-13-H3C(O)CH3
  308080.5220  0.1197 -6.3284 3 1484.5087604  595161404753739 4    753640 4      C-13-H3C(O)CH3
  308080.5620  0.1197 -6.3284 3 1484.5086604  595161404753639 3    753540 3      C-13-H3C(O)CH3
  308080.5688  0.1197 -6.3284 3 1484.5086604  595161404753739 3    753640 3      C-13-H3C(O)CH3
  308089.5936  0.0074 -4.6445 3  459.2228744 -595161404461036 2    46 937 2      C-13-H3C(O)CH3
  308089.5936  0.0074 -4.6445 3  459.2228744 -595161404461136 2    461037 2      C-13-H3C(O)CH3
  308089.5967  0.0074 -4.8174 3  459.2228744  595161404461136 2    46 937 2      C-13-H3C(O)CH3
  308089.5967  0.0074 -4.8174 3  459.2228744  595161404461036 2    461037 2      C-13-H3C(O)CH3
  308091.1865  0.0076 -4.9115 3  459.2234744  595161404461136 1    46 937 1      C-13-H3C(O)CH3
  308091.1865  0.0076 -4.9115 3  459.2234744  595161404461036 1    461037 1      C-13-H3C(O)CH3
  308091.2178  0.0076 -4.5911 3  459.2234744 -595161404461136 1    461037 1      C-13-H3C(O)CH3
  308091.2178  0.0076 -4.5911 3  459.2234744 -595161404461036 1    46 937 1      C-13-H3C(O)CH3
  308096.1627  0.0063 -4.9533 3   45.8799116  59516140414 7 7 4    13 6 8 4      C-13-H3C(O)CH3
  308110.1748  0.1269 -6.0273 3 1484.4929C08  595161404753639 1    753540 1      C-13-H3C(O)CH3
  308110.1817  0.1269 -6.0273 3 1484.4929C08  595161404753739 1    753640 1      C-13-H3C(O)CH3
  308113.6350  0.1231 -6.0274 3 1484.4959C08  595161404753639 2    753540 2      C-13-H3C(O)CH3
  308113.6403  0.1231 -6.0274 3 1484.4959C08  595161404753739 2    753640 2      C-13-H3C(O)CH3
  308115.9178  0.0141 -5.3520 3  301.4692520  5951614043225 7 1    3126 5 1      C-13-H3C(O)CH3
  308124.1705  0.0060 -6.4937 3   99.1045328  59516140420 911 1    20 614 1      C-13-H3C(O)CH3
  308130.4814  0.0042 -4.4831 3   76.6675140  5951614041712 6 4    1611 6 4      C-13-H3C(O)CH3
  308131.8432  0.0966 -6.0803 3 1188.3289500  5951614046253 9 4    625210 4      C-13-H3C(O)CH3
  308132.5321  0.0060 -4.4523 3  459.2506744  595161404461036 0    46 937 0      C-13-H3C(O)CH3
  308132.5321  0.0060 -4.4523 3  459.2506744  595161404461136 0    461037 0      C-13-H3C(O)CH3
  308132.5321  0.0060 -5.5818 3  459.2506744  595161404461036 0    461037 0      C-13-H3C(O)CH3
  308132.5321  0.0060 -5.5818 3  459.2506744  595161404461136 0    46 937 0      C-13-H3C(O)CH3
  308136.2154  0.0099 -5.9026 3   42.8616108  5951614041310 3 4    12 7 5 4      C-13-H3C(O)CH3
  308143.2228  0.1281 -6.0271 3 1484.4802C08  595161404753639 0    753540 0      C-13-H3C(O)CH3
  308143.2282  0.1281 -6.0271 3 1484.4802C08  595161404753739 0    753640 0      C-13-H3C(O)CH3
  308149.8349  0.0141 -5.3521 3  301.4778520  5951614043225 8 2    3126 6 2      C-13-H3C(O)CH3
  308158.0753  0.0840 -5.7792 3 1188.3061A00  5951614046253 9 2    625210 2      C-13-H3C(O)CH3
  308166.5446  0.0772 -6.8997 3  486.7019680  595161404422517 2    412813 2      C-13-H3C(O)CH3
  308183.3851  0.0166 -5.6752 3  316.8037552  595161404342014 2    341717 2      C-13-H3C(O)CH3
  308198.3781  0.0862 -6.0802 3 1188.3038500  5951614046253 9 3    625210 3      C-13-H3C(O)CH3
  308203.0545  0.0150 -5.6527 3  301.4358260  5951614043225 8 3    3126 5 3      C-13-H3C(O)CH3
  308212.8691  0.0051 -4.6513 3   45.8310232  59516140414 7 7 2    13 6 8 2      C-13-H3C(O)CH3
  308214.7174  0.3436 -6.6444 3 1764.5070C56  595161404785721 0    785622 0      C-13-H3C(O)CH3
  308214.7205  0.3436 -6.6444 3 1764.5070C56  595161404785722 0    785623 0      C-13-H3C(O)CH3
  308228.9059  0.0060 -6.4928 3   99.1034328  595161404201011 2    20 714 2      C-13-H3C(O)CH3
  308260.3391  0.0231 -5.5810 3  536.7323712  595161404442717 1    442420 1      C-13-H3C(O)CH3
  308269.1452  0.0875 -6.0801 3 1188.2942500  595161404625310 3    625211 3      C-13-H3C(O)CH3
  308273.3519  0.0059 -6.4934 3   99.1045328  595161404201011 1    20 714 1      C-13-H3C(O)CH3
  308274.0772  0.0213 -5.5824 3  536.7514712  595161404442717 0    442420 0      C-13-H3C(O)CH3
  308281.3339  0.0049 -4.6514 3   45.8322232  59516140414 7 7 1    13 6 8 1      C-13-H3C(O)CH3
  308282.2384  0.0791 -5.7790 3 1188.3070A00  5951614046253 9 1    625210 1      C-13-H3C(O)CH3
  308294.9110  0.0776 -5.7790 3 1188.2714A00  595161404625310 2    625211 2      C-13-H3C(O)CH3
  308307.5816  0.0756 -5.7789 3 1188.2842A00  5951614046253 9 0    625211 0      C-13-H3C(O)CH3
  308307.5816  0.0756 -5.7789 3 1188.2842A00  595161404625310 0    625210 0      C-13-H3C(O)CH3
  308316.0263  0.0545 -5.6238 3  593.6586744  595161404463016 1    462719 1      C-13-H3C(O)CH3
  308326.7441  0.0134 -5.6757 3  316.8307552  595161404342014 0    341717 0      C-13-H3C(O)CH3
  308335.0932  0.0170 -5.6516 3  301.4380260  5951614043225 7 4    3126 5 4      C-13-H3C(O)CH3
  308335.2990  0.0960 -6.0800 3 1188.2691500  595161404625310 4    625211 4      C-13-H3C(O)CH3
  308347.9514  0.0730 -5.7789 3 1188.2820A00  595161404625310 1    625211 1      C-13-H3C(O)CH3
  308356.9188  0.0161 -5.6531 3  301.4262260  5951614043225 8 4    3126 6 4      C-13-H3C(O)CH3
  308358.4301  0.0970 -5.9962 3  544.2323356  595161404442915 4    442618 4      C-13-H3C(O)CH3
  308382.5533  0.0058 -6.4898 3   99.0769328  59516140420 911 0    20 614 0      C-13-H3C(O)CH3
  308407.0280  0.0049 -4.6504 3   45.7833232  59516140414 7 7 0    13 6 8 0      C-13-H3C(O)CH3
  308411.1187  0.0196 -5.9771 3  316.7814276  595161404342014 3    341717 3      C-13-H3C(O)CH3
  308414.5886  0.0197 -5.9770 3  316.7814276  595161404342014 4    341717 4      C-13-H3C(O)CH3
  308424.2609  0.4781 -6.8661 3 1889.5171D04  595161404815823 1    815724 1      C-13-H3C(O)CH3
  308448.5340  0.3965 -6.8659 3 1889.4701D04  595161404815824 1    815725 1      C-13-H3C(O)CH3
  308464.0854  0.0547 -5.8049 3 1195.8339548  595161404683038 3    682939 3      C-13-H3C(O)CH3
  308464.0854  0.0547 -5.8049 3 1195.8339548  595161404683138 3    683039 3      C-13-H3C(O)CH3
  308464.1200  0.0548 -5.8049 3 1195.8340548  595161404683038 4    682939 4      C-13-H3C(O)CH3
  308464.1201  0.0548 -5.8049 3 1195.8340548  595161404683138 4    683039 4      C-13-H3C(O)CH3
  308465.1769  0.0499 -5.5039 3 1195.8144A96  595161404683038 1    682939 1      C-13-H3C(O)CH3
  308465.1769  0.0499 -5.5039 3 1195.8144A96  595161404683138 1    683039 1      C-13-H3C(O)CH3
  308469.9217  0.0541 -5.5040 3 1195.8162A96  595161404683038 2    682939 2      C-13-H3C(O)CH3
  308469.9217  0.0541 -5.5040 3 1195.8162A96  595161404683138 2    683039 2      C-13-H3C(O)CH3
  308470.1980  0.0674 -5.7007 3 1010.3149904  5951614045652 5 0    5651 6 0      C-13-H3C(O)CH3
  308470.1980  0.0674 -5.7007 3 1010.3149904  5951614045652 4 0    5651 5 0      C-13-H3C(O)CH3
  308471.0496  0.0493 -5.5038 3 1195.7968A96  595161404683038 0    682939 0      C-13-H3C(O)CH3
  308471.0497  0.0493 -5.5038 3 1195.7968A96  595161404683138 0    683039 0      C-13-H3C(O)CH3
  308475.4686  0.0074 -4.9573 3  431.4620364  59516140445 936 4    45 937 4      C-13-H3C(O)CH3
  308475.4686  0.0074 -5.0643 3  431.4620364  59516140445 936 4    45 837 4      C-13-H3C(O)CH3
  308475.4686  0.0074 -5.0643 3  431.4620364  595161404451036 4    45 937 4      C-13-H3C(O)CH3
  308475.4686  0.0074 -4.9573 3  431.4620364  595161404451036 4    45 837 4      C-13-H3C(O)CH3
  308475.7648  0.0072 -5.4110 3  431.4620364  595161404451036 3    45 837 3      C-13-H3C(O)CH3
  308475.7648  0.0072 -5.4110 3  431.4620364  59516140445 936 3    45 937 3      C-13-H3C(O)CH3
  308475.7648  0.0072 -4.8021 3  431.4620364  595161404451036 3    45 937 3      C-13-H3C(O)CH3
  308475.7648  0.0072 -4.8021 3  431.4620364  59516140445 936 3    45 837 3      C-13-H3C(O)CH3
  308487.8208  0.0144 -5.6520 3  301.4285260  5951614043225 7 3    3126 6 3      C-13-H3C(O)CH3
  308513.0988  0.0815 -5.7006 3 1010.3294904  5951614045652 5 2    5651 6 2      C-13-H3C(O)CH3
  308537.3426  0.0057 -6.4895 3   99.0769328  595161404201011 0    20 714 0      C-13-H3C(O)CH3
  308543.5778  0.0021 -6.2474 3   76.6841140  5951614041712 6 3    1611 6 3      C-13-H3C(O)CH3
  308550.7139  0.0073 -4.4483 3  431.4861728 -59516140445 936 2    45 937 2      C-13-H3C(O)CH3
  308550.7139  0.0073 -5.4299 3  431.4861728 -595161404451036 2    45 937 2      C-13-H3C(O)CH3
  308550.7316  0.0073 -4.4483 3  431.4861728  595161404451036 2    45 837 2      C-13-H3C(O)CH3
  308550.7316  0.0073 -5.4299 3  431.4861728  59516140445 936 2    45 837 2      C-13-H3C(O)CH3
  308551.5683  0.0159 -5.6765 3  316.8085552  595161404342014 1    341717 1      C-13-H3C(O)CH3
  308552.3488  0.0074 -4.5090 3  431.4867728  595161404451036 1    45 837 1      C-13-H3C(O)CH3
  308552.3488  0.0074 -4.5090 3  431.4867728  59516140445 936 1    45 937 1      C-13-H3C(O)CH3
  308552.4410  0.0074 -5.0781 3  431.4867728 -59516140445 936 1    45 837 1      C-13-H3C(O)CH3
  308552.4410  0.0074 -5.0781 3  431.4867728 -595161404451036 1    45 937 1      C-13-H3C(O)CH3
  308564.2464  0.0146 -4.9696 3  862.5819952  595161404592337 0    592138 0      C-13-H3C(O)CH3
  308564.2464  0.0146 -6.1084 3  862.5819952  595161404592337 0    592238 0      C-13-H3C(O)CH3
  308564.2464  0.0146 -4.9696 3  862.5819952  595161404592237 0    592238 0      C-13-H3C(O)CH3
  308564.2464  0.0146 -6.1084 3  862.5819952  595161404592237 0    592138 0      C-13-H3C(O)CH3
  308568.6816  0.0031 -4.4989 3   76.6540280 -5951614041712 6 1    1611 6 1      C-13-H3C(O)CH3
  308579.1668  0.0674 -5.7007 3 1010.3472904  5951614045652 5 1    5651 6 1      C-13-H3C(O)CH3
  308591.5121  0.3866 -6.8657 3 1889.4728D04  595161404815824 2    815725 2      C-13-H3C(O)CH3
  308591.7279  0.4423 -6.8658 3 1889.5018D04  595161404815823 2    815724 2      C-13-H3C(O)CH3
  308622.4038  0.0169 -6.1028 3  862.5817952  595161404592337 1    592238 1      C-13-H3C(O)CH3
  308622.4038  0.0169 -6.0806 3  862.5817952  595161404592237 1    592138 1      C-13-H3C(O)CH3
  308622.4038  0.0169 -4.9714 3  862.5817952  595161404592237 1    592238 1      C-13-H3C(O)CH3
  308622.4038  0.0169 -4.9697 3  862.5817952  595161404592337 1    592138 1      C-13-H3C(O)CH3
  308622.9049  0.0885 -6.0016 3 1010.3616452  5951614045652 5 3    5651 6 3      C-13-H3C(O)CH3
  308625.0982  0.0204 -5.8012 3  862.5818952  595161404592237 2    592138 2      C-13-H3C(O)CH3
  308625.0982  0.0204 -5.0031 3  862.5818952  595161404592237 2    592238 2      C-13-H3C(O)CH3
  308625.0982  0.0204 -5.8012 3  862.5818952  595161404592337 2    592238 2      C-13-H3C(O)CH3
  308625.0982  0.0204 -5.0031 3  862.5818952  595161404592337 2    592138 2      C-13-H3C(O)CH3
  308627.1593  0.0063 -4.5058 3  431.5107728 -595161404451036 0    45 937 0      C-13-H3C(O)CH3
  308627.2065  0.0063 -5.0890 3  431.5107728  59516140445 936 0    45 937 0      C-13-H3C(O)CH3
  308627.2065  0.0063 -4.5058 3  431.5107728  59516140445 936 0    45 837 0      C-13-H3C(O)CH3
  308627.2065  0.0063 -5.0890 3  431.5107728  595161404451036 0    45 837 0      C-13-H3C(O)CH3
  308640.1138  0.0754 -5.7005 3 1010.3482904  5951614045652 4 1    5651 5 1      C-13-H3C(O)CH3
  308648.1022  0.0030 -4.6068 3   76.6560280 -5951614041712 6 2    1611 6 2      C-13-H3C(O)CH3
  308673.5580  0.0689 -5.7005 3 1010.3310904  5951614045652 4 2    5651 5 2      C-13-H3C(O)CH3
  308683.0624  0.1068 -6.0014 3 1010.3625452  5951614045652 5 4    5651 6 4      C-13-H3C(O)CH3
  308683.3472  0.0188 -6.4851 3  862.5816476  595161404592337 3    592138 3      C-13-H3C(O)CH3
  308683.3472  0.0188 -6.4851 3  862.5816476  595161404592237 3    592238 3      C-13-H3C(O)CH3
  308683.3472  0.0188 -5.2651 3  862.5816476  595161404592237 3    592138 3      C-13-H3C(O)CH3
  308683.3472  0.0188 -5.2651 3  862.5816476  595161404592337 3    592238 3      C-13-H3C(O)CH3
  308683.4917  0.0189 -5.4857 3  862.5816476  595161404592337 4    592138 4      C-13-H3C(O)CH3
  308683.4917  0.0189 -5.6038 3  862.5816476  595161404592337 4    592238 4      C-13-H3C(O)CH3
  308683.4917  0.0189 -5.4857 3  862.5816476  595161404592237 4    592238 4      C-13-H3C(O)CH3
  308683.4917  0.0189 -5.6038 3  862.5816476  595161404592237 4    592138 4      C-13-H3C(O)CH3
  308697.8223  0.4950 -6.8655 3 1889.5024D04  595161404815823 0    815724 0      C-13-H3C(O)CH3
  308697.8467  0.4950 -6.8655 3 1889.5024D04  595161404815824 0    815725 0      C-13-H3C(O)CH3
  308718.8051  0.0068 -6.4347 3   34.7065100  59516140412 9 4 4    11 6 6 4      C-13-H3C(O)CH3
  308783.8048  0.0839 -6.0015 3 1010.3632452  5951614045652 4 4    5651 5 4      C-13-H3C(O)CH3
  308786.0953  0.0724 -6.8353 3  486.6586340  595161404422517 3    412814 3      C-13-H3C(O)CH3
  308794.7621  0.0022 -4.1989 3  156.9131236  59516140429 326 3    28 425 3      C-13-H3C(O)CH3
  308794.7621  0.0022 -4.1989 3  156.9131236  59516140429 426 3    28 325 3      C-13-H3C(O)CH3
  308794.7850  0.0021 -5.1593 3  156.9131236  59516140429 326 4    28 325 4      C-13-H3C(O)CH3
  308794.7850  0.0021 -3.7695 3  156.9131236  59516140429 426 4    28 325 4      C-13-H3C(O)CH3
  308794.7869  0.0022 -3.9442 3  156.9131236 -59516140429 326 3    28 325 3      C-13-H3C(O)CH3
  308794.7869  0.0021 -3.7695 3  156.9131236 -59516140429 326 4    28 425 4      C-13-H3C(O)CH3
  308794.7869  0.0021 -5.1593 3  156.9131236 -59516140429 426 4    28 425 4      C-13-H3C(O)CH3
  308794.7869  0.0022 -3.9442 3  156.9131236 -59516140429 426 3    28 425 3      C-13-H3C(O)CH3
  308835.5695  0.0024 -4.8874 3  156.8805472  59516140429 326 1    28 425 1      C-13-H3C(O)CH3
  308835.5695  0.0024 -4.8874 3  156.8805472  59516140429 426 1    28 325 1      C-13-H3C(O)CH3
  308835.6940  0.0023 -4.9965 3  156.8800472 -59516140429 326 2    28 425 2      C-13-H3C(O)CH3
  308835.6940  0.0024 -3.4672 3  156.8805472 -59516140429 426 1    28 425 1      C-13-H3C(O)CH3
  308835.6940  0.0023 -4.9965 3  156.8800472 -59516140429 426 2    28 325 2      C-13-H3C(O)CH3
  308835.6940  0.0024 -3.4672 3  156.8805472 -59516140429 326 1    28 325 1      C-13-H3C(O)CH3
  308835.7935  0.0023 -3.4635 3  156.8800472  59516140429 426 2    28 425 2      C-13-H3C(O)CH3
  308835.7935  0.0023 -3.4635 3  156.8800472  59516140429 326 2    28 325 2      C-13-H3C(O)CH3
  308844.4780  0.0885 -6.0013 3 1010.3641452  5951614045652 4 3    5651 5 3      C-13-H3C(O)CH3
  308872.3405  0.0077 -5.8706 3  404.3183356  59516140444 836 4    44 737 4      C-13-H3C(O)CH3
  308872.3405  0.0077 -4.7272 3  404.3183356  59516140444 836 4    44 837 4      C-13-H3C(O)CH3
  308872.3405  0.0077 -4.7272 3  404.3183356  59516140444 936 4    44 737 4      C-13-H3C(O)CH3
  308872.3405  0.0077 -5.8706 3  404.3183356  59516140444 936 4    44 837 4      C-13-H3C(O)CH3
  308872.6699  0.0074 -5.3917 3  404.3183356  59516140444 936 3    44 737 3      C-13-H3C(O)CH3
  308872.6699  0.0074 -5.3917 3  404.3183356  59516140444 836 3    44 837 3      C-13-H3C(O)CH3
  308872.6699  0.0074 -4.7951 3  404.3183356  59516140444 936 3    44 837 3      C-13-H3C(O)CH3
  308872.6699  0.0074 -4.7951 3  404.3183356  59516140444 836 3    44 737 3      C-13-H3C(O)CH3
  308876.4962  0.0020 -4.2634 3  156.8475472 -59516140429 326 0    28 425 0      C-13-H3C(O)CH3
  308876.4962  0.0020 -3.5235 3  156.8475472 -59516140429 426 0    28 425 0      C-13-H3C(O)CH3
  308876.4981  0.0020 -3.5235 3  156.8475472  59516140429 326 0    28 325 0      C-13-H3C(O)CH3
  308876.4981  0.0020 -4.2634 3  156.8475472  59516140429 426 0    28 325 0      C-13-H3C(O)CH3
  308897.1319  0.0197 -6.6193 3  707.6641840  595161404522428 0    512725 0      C-13-H3C(O)CH3
  308901.3030  0.0233 -6.6187 3  707.6577840  595161404522428 1    512725 1      C-13-H3C(O)CH3
  308918.3033  0.1064 -5.6370 3  593.6459744  595161404463016 2    462719 2      C-13-H3C(O)CH3
  308920.2670  0.0274 -6.6175 3  707.6564840  595161404522428 2    512725 2      C-13-H3C(O)CH3
  308924.3388  0.0295 -6.9182 3  707.6499420  595161404522428 4    512725 4      C-13-H3C(O)CH3
  308924.3549  0.0294 -6.9182 3  707.6499420  595161404522428 3    512725 3      C-13-H3C(O)CH3
  308928.0085  0.0197 -6.6192 3  707.6631840  595161404522528 0    512625 0      C-13-H3C(O)CH3
  308934.1123  0.0232 -6.6186 3  707.6566840  595161404522528 1    512625 1      C-13-H3C(O)CH3
  308953.3875  0.0277 -6.6174 3  707.6553840  595161404522528 2    512625 2      C-13-H3C(O)CH3
  308959.4360  0.0297 -6.9180 3  707.6487420  595161404522528 4    512625 4      C-13-H3C(O)CH3
  308959.5576  0.0296 -6.9181 3  707.6487420  595161404522528 3    512625 3      C-13-H3C(O)CH3
  308976.3946  0.0068 -4.2743 3   85.3914148 -5951614041812 7 4    1711 6 4      C-13-H3C(O)CH3
  308986.6166  0.0071 -4.7504 3  404.3377712 -59516140444 936 2    44 837 2      C-13-H3C(O)CH3
  308986.6166  0.0071 -4.7504 3  404.3377712 -59516140444 836 2    44 737 2      C-13-H3C(O)CH3
  308986.6385  0.0071 -4.6489 3  404.3377712  59516140444 836 2    44 837 2      C-13-H3C(O)CH3
  308986.6385  0.0071 -4.6489 3  404.3377712  59516140444 936 2    44 737 2      C-13-H3C(O)CH3
  308988.2267  0.0073 -5.4941 3  404.3382712  59516140444 836 1    44 737 1      C-13-H3C(O)CH3
  308988.2267  0.0073 -5.4941 3  404.3382712  59516140444 936 1    44 837 1      C-13-H3C(O)CH3
  308988.3487  0.0073 -4.4318 3  404.3382712 -59516140444 836 1    44 837 1      C-13-H3C(O)CH3
  308988.3487  0.0073 -4.4318 3  404.3382712 -59516140444 936 1    44 737 1      C-13-H3C(O)CH3
  309054.3710  0.0266 -6.1182 3  236.0450236  595161404292010 4    2821 7 4      C-13-H3C(O)CH3
  309101.8206  0.0064 -5.7982 3  404.3575712 -59516140444 936 0    44 837 0      C-13-H3C(O)CH3
  309101.8206  0.0064 -4.4128 3  404.3575712 -59516140444 836 0    44 837 0      C-13-H3C(O)CH3
  309102.0174  0.0064 -4.4128 3  404.3575712  59516140444 936 0    44 737 0      C-13-H3C(O)CH3
  309102.0174  0.0064 -5.7982 3  404.3575712  59516140444 836 0    44 737 0      C-13-H3C(O)CH3
  309239.7095  0.0083 -6.9647 3  377.7656348  59516140443 736 4    43 637 4      C-13-H3C(O)CH3
  309239.7095  0.0083 -4.6980 3  377.7656348  59516140443 736 4    43 737 4      C-13-H3C(O)CH3
  309239.7095  0.0083 -4.6980 3  377.7656348  59516140443 836 4    43 637 4      C-13-H3C(O)CH3
  309239.7095  0.0083 -6.9647 3  377.7656348  59516140443 836 4    43 737 4      C-13-H3C(O)CH3
  309240.0497  0.0078 -4.7284 3  377.7655348  59516140443 736 3    43 737 3      C-13-H3C(O)CH3
  309240.0497  0.0078 -5.8348 3  377.7655348  59516140443 836 3    43 737 3      C-13-H3C(O)CH3
  309240.0497  0.0078 -4.7284 3  377.7655348  59516140443 836 3    43 637 3      C-13-H3C(O)CH3
  309240.0497  0.0078 -5.8348 3  377.7655348  59516140443 736 3    43 637 3      C-13-H3C(O)CH3
  309309.3743  0.2692 -6.6800 3 1608.3753596  595161404745618 4    745519 4      C-13-H3C(O)CH3
  309311.4780  0.0257 -6.8496 3  212.2501220  5951614042721 7 4    2718 9 4      C-13-H3C(O)CH3
  309317.4926  0.2094 -6.6799 3 1608.3285596  595161404745618 3    745519 3      C-13-H3C(O)CH3
  309326.3568  0.1316 -6.2412 3 1320.3149532  595161404665412 4    665313 4      C-13-H3C(O)CH3
  309366.6830  0.0062 -4.2416 3   85.3875148 -5951614041812 7 3    1711 6 3      C-13-H3C(O)CH3
  309386.4357  0.0946 -5.9191 3  593.6226372  595161404463016 3    462719 3      C-13-H3C(O)CH3
  309387.3094  0.0637 -6.6259 3  486.6612680  595161404422517 2    412814 2      C-13-H3C(O)CH3
  309398.6477  0.0069 -4.8091 3  377.7785696 -59516140443 836 2    43 737 2      C-13-H3C(O)CH3
  309398.6477  0.0069 -4.8091 3  377.7785696 -59516140443 736 2    43 637 2      C-13-H3C(O)CH3
  309398.7141  0.0069 -4.6048 3  377.7785696  59516140443 736 2    43 737 2      C-13-H3C(O)CH3
  309398.7141  0.0069 -4.6048 3  377.7785696  59516140443 836 2    43 637 2      C-13-H3C(O)CH3
  309400.0721  0.0162 -5.6304 3  236.0568472  595161404292010 1    2821 7 1      C-13-H3C(O)CH3
  309400.2213  0.0072 -4.6584 3  377.7790696  59516140443 736 1    43 737 1      C-13-H3C(O)CH3
  309400.2213  0.0072 -4.6584 3  377.7790696  59516140443 836 1    43 637 1      C-13-H3C(O)CH3
  309400.3724  0.0072 -4.7353 3  377.7790696 -59516140443 836 1    43 737 1      C-13-H3C(O)CH3
  309400.3724  0.0072 -4.7353 3  377.7790696 -59516140443 736 1    43 637 1      C-13-H3C(O)CH3
  309409.9122  0.2364 -6.6797 3 1608.3225596  595161404745619 3    745520 3      C-13-H3C(O)CH3
  309417.9852  0.1791 -6.6796 3 1608.2758596  595161404745619 4    745520 4      C-13-H3C(O)CH3
  309421.1606  0.1099 -6.2409 3 1320.2680532  595161404665413 3    665314 3      C-13-H3C(O)CH3
  309433.5794  0.1205 -6.2409 3 1320.2763532  595161404665412 3    665313 3      C-13-H3C(O)CH3
  309439.2212  0.0134 -5.1423 3  827.2668936  595161404582237 0    582138 0      C-13-H3C(O)CH3
  309439.2212  0.0134 -5.2099 3  827.2668936  595161404582237 0    582038 0      C-13-H3C(O)CH3
  309439.2212  0.0134 -5.2284 3  827.2668936  595161404582137 0    582138 0      C-13-H3C(O)CH3
  309439.2212  0.0134 -5.1581 3  827.2668936  595161404582137 0    582038 0      C-13-H3C(O)CH3
  309445.8162  0.0676 -6.9687 3  486.6368340  595161404422517 4    412814 4      C-13-H3C(O)CH3
  309456.4197  0.1133 -5.9398 3 1320.2956A64  595161404665412 2    665313 2      C-13-H3C(O)CH3
  309477.5103  0.0164 -5.3788 3  236.0634472  595161404292010 2    2821 7 2      C-13-H3C(O)CH3
  309479.2996  0.0712 -5.7381 3  984.0815888  5951614045552 3 0    5551 4 0      C-13-H3C(O)CH3
  309479.2996  0.0712 -5.7381 3  984.0815888  5951614045552 4 0    5551 5 0      C-13-H3C(O)CH3
  309487.4734  0.2148 -6.3786 3 1608.3571B92  595161404745618 1    745519 1      C-13-H3C(O)CH3
  309503.3401  0.0156 -6.6994 3  827.2629936  595161404582237 1    582138 1      C-13-H3C(O)CH3
  309503.3401  0.0156 -4.8886 3  827.2629936  595161404582237 1    582038 1      C-13-H3C(O)CH3
  309503.3401  0.0156 -4.8886 3  827.2629936  595161404582137 1    582138 1      C-13-H3C(O)CH3
  309503.3401  0.0156 -6.6994 3  827.2629936  595161404582137 1    582038 1      C-13-H3C(O)CH3
  309505.5883  0.0183 -4.8944 3  827.2629936  595161404582237 2    582038 2      C-13-H3C(O)CH3
  309505.5883  0.0183 -6.4308 3  827.2629936  595161404582237 2    582138 2      C-13-H3C(O)CH3
  309505.5883  0.0183 -6.4308 3  827.2629936  595161404582137 2    582038 2      C-13-H3C(O)CH3
  309505.5883  0.0183 -4.8944 3  827.2629936  595161404582137 2    582138 2      C-13-H3C(O)CH3
  309521.9719  0.0055 -3.9491 3   85.3622296 -5951614041812 7 1    1711 6 1      C-13-H3C(O)CH3
  309525.1896  0.1025 -5.9397 3 1320.2905A64  595161404665412 1    665313 1      C-13-H3C(O)CH3
  309528.0593  0.1208 -6.2407 3 1320.2294532  595161404665413 4    665314 4      C-13-H3C(O)CH3
  309541.0452  0.1989 -6.7358 3 1704.5341644  595161404804040 4    803941 4      C-13-H3C(O)CH3
  309541.1180  0.1989 -6.7358 3 1704.5341644  595161404804040 3    803941 3      C-13-H3C(O)CH3
  309541.1449  0.1989 -6.7358 3 1704.5341644  595161404804140 4    804041 4      C-13-H3C(O)CH3
  309541.2177  0.1989 -6.7358 3 1704.5341644  595161404804140 3    804041 3      C-13-H3C(O)CH3
  309551.0458  0.0925 -5.9396 3 1320.2487A64  595161404665413 2    665314 2      C-13-H3C(O)CH3
  309558.6218  0.0065 -4.8261 3  377.7920696  59516140443 836 0    43 737 0      C-13-H3C(O)CH3
  309558.6218  0.0065 -4.6350 3  377.7920696  59516140443 736 0    43 637 0      C-13-H3C(O)CH3
  309558.6593  0.0065 -4.5937 3  377.7920696 -59516140443 836 0    43 637 0      C-13-H3C(O)CH3
  309558.6593  0.0065 -4.7636 3  377.7920696 -59516140443 736 0    43 737 0      C-13-H3C(O)CH3
  309569.8030  0.0168 -5.1875 3  827.2591468  595161404582137 3    582138 3      C-13-H3C(O)CH3
  309569.8030  0.0168 -5.1875 3  827.2591468  595161404582237 3    582038 3      C-13-H3C(O)CH3
  309569.9498  0.0169 -5.2194 3  827.2590468  595161404582237 4    582038 4      C-13-H3C(O)CH3
  309569.9498  0.0169 -6.2743 3  827.2590468  595161404582137 4    582038 4      C-13-H3C(O)CH3
  309569.9498  0.0169 -5.2194 3  827.2590468  595161404582137 4    582138 4      C-13-H3C(O)CH3
  309569.9498  0.0169 -6.2743 3  827.2590468  595161404582237 4    582138 4      C-13-H3C(O)CH3
  309571.0848  0.2148 -6.4347 3 1704.5273C88  595161404804040 1    803941 1      C-13-H3C(O)CH3
  309571.1895  0.2148 -6.4347 3 1704.5273C88  595161404804140 1    804041 1      C-13-H3C(O)CH3
  309573.2673  0.2059 -6.4348 3 1704.5305C88  595161404804040 2    803941 2      C-13-H3C(O)CH3
  309573.3514  0.2059 -6.4348 3 1704.5305C88  595161404804140 2    804041 2      C-13-H3C(O)CH3
  309574.0243  0.2306 -6.3784 3 1608.3586B92  595161404745618 2    745519 2      C-13-H3C(O)CH3
  309574.0923  0.0823 -5.7588 3 1159.0998984  5951614046153 8 2    6152 9 2      C-13-H3C(O)CH3
  309578.6865  0.0093 -5.6788 3  351.8047340  59516140442 736 4    42 637 4      C-13-H3C(O)CH3
  309578.6865  0.0093 -4.7529 3  351.8047340  59516140442 636 4    42 637 4      C-13-H3C(O)CH3
  309578.6865  0.0093 -4.7529 3  351.8047340  59516140442 736 4    42 537 4      C-13-H3C(O)CH3
  309578.6865  0.0093 -5.6788 3  351.8047340  59516140442 636 4    42 537 4      C-13-H3C(O)CH3
  309579.0047  0.0088 -5.9220 3  351.8047340  59516140442 636 3    42 637 3      C-13-H3C(O)CH3
  309579.0047  0.0088 -4.9535 3  351.8047340  59516140442 636 3    42 537 3      C-13-H3C(O)CH3
  309579.0047  0.0088 -4.7314 3  351.8047340  59516140442 736 3    42 637 3      C-13-H3C(O)CH3
  309579.0047  0.0088 -5.0641 3  351.8047340  59516140442 736 3    42 537 3      C-13-H3C(O)CH3
  309580.2016  0.0901 -5.7379 3  984.0957888  5951614045552 4 2    5551 5 2      C-13-H3C(O)CH3
  309582.2135  0.1717 -6.3783 3 1608.3118B92  595161404745619 2    745520 2      C-13-H3C(O)CH3
  309586.7437  0.0947 -6.0599 3 1159.1236492  5951614046153 8 4    6152 9 4      C-13-H3C(O)CH3
  309588.0795  0.1864 -6.3783 3 1608.3043B92  595161404745619 1    745520 1      C-13-H3C(O)CH3
  309590.3600  0.0734 -5.7381 3  984.1208888  5951614045552 4 1    5551 4 1      C-13-H3C(O)CH3
  309599.4125  0.0225 -6.2240 3  272.9891252  595161404312210 4    311913 4      C-13-H3C(O)CH3
  309603.1687  0.2167 -6.4346 3 1704.5237C88  595161404804040 0    803941 0      C-13-H3C(O)CH3
  309603.2572  0.2167 -6.4346 3 1704.5237C88  595161404804140 0    804041 0      C-13-H3C(O)CH3
  309630.5930  0.0140 -5.9026 3  273.0109504  595161404312210 1    311913 1      C-13-H3C(O)CH3
  309631.9129  0.0939 -5.9395 3 1320.2520A64  595161404665413 1    665314 1      C-13-H3C(O)CH3
  309633.9133  0.0831 -6.0598 3 1159.1028492  5951614046153 8 3    6152 9 3      C-13-H3C(O)CH3
  309654.5656  0.0856 -5.9394 3 1320.2713A64  595161404665413 0    665313 0      C-13-H3C(O)CH3
  309654.5656  0.0856 -5.9394 3 1320.2713A64  595161404665412 0    665314 0      C-13-H3C(O)CH3
  309687.5227  0.0825 -5.7378 3  984.1184888  5951614045552 3 1    5551 5 1      C-13-H3C(O)CH3
  309692.3646  0.0986 -6.0389 3  984.1349444  5951614045552 4 3    5551 5 3      C-13-H3C(O)CH3
  309694.3316  0.0774 -5.7586 3 1159.0801984  5951614046153 9 0    615210 0      C-13-H3C(O)CH3
  309694.3316  0.0774 -5.7586 3 1159.0801984  5951614046153 8 0    6152 9 0      C-13-H3C(O)CH3
  309707.8285  0.0779 -5.7586 3 1159.1039984  5951614046153 8 1    6152 9 1      C-13-H3C(O)CH3
  309710.2736  0.0082 -4.9294 3  236.0754472  595161404292010 0    2821 7 0      C-13-H3C(O)CH3
  309712.9292  0.0057 -3.9443 3   85.3565296 -5951614041812 7 2    1711 6 2      C-13-H3C(O)CH3
  309713.1524  0.0189 -6.1794 3  272.9892252  595161404312210 3    311913 3      C-13-H3C(O)CH3
  309723.9184  0.0766 -5.7586 3 1159.0706984  5951614046153 9 2    615210 2      C-13-H3C(O)CH3
  309729.8496  0.0758 -5.7378 3  984.1057888  5951614045552 3 2    5551 4 2      C-13-H3C(O)CH3
  309737.1623  0.0857 -6.0596 3 1159.0944492  5951614046153 9 3    615210 3      C-13-H3C(O)CH3
  309752.0782  0.1950 -6.3780 3 1608.3404B92  595161404745618 0    745519 0      C-13-H3C(O)CH3
  309752.0782  0.1950 -6.3780 3 1608.3404B92  595161404745619 0    745520 0      C-13-H3C(O)CH3
  309754.0766  0.0717 -5.7586 3 1159.0832984  5951614046153 9 1    615210 1      C-13-H3C(O)CH3
  309761.0651  0.1913 -6.4436 3 1460.3174564  595161404705515 4    705416 4      C-13-H3C(O)CH3
  309781.5407  0.0418 -5.4302 3 1155.3227A80  595161404672938 0    672839 0      C-13-H3C(O)CH3
  309781.5407  0.0418 -5.4302 3 1155.3227A80  595161404673038 0    672939 0      C-13-H3C(O)CH3
  309782.8385  0.0428 -5.4303 3 1155.3397A80  595161404672938 1    672839 1      C-13-H3C(O)CH3
  309782.8385  0.0428 -5.4303 3 1155.3397A80  595161404673038 1    672939 1      C-13-H3C(O)CH3
  309783.8839  0.0927 -6.0596 3 1159.0736492  5951614046153 9 4    615210 4      C-13-H3C(O)CH3
  309787.5670  0.0477 -5.4303 3 1155.3413A80  595161404673038 2    672939 2      C-13-H3C(O)CH3
  309787.5670  0.0477 -5.4303 3 1155.3413A80  595161404672938 2    672839 2      C-13-H3C(O)CH3
  309788.2750  0.0071 -5.3773 3  351.8095680 -59516140442 736 2    42 637 2      C-13-H3C(O)CH3
  309788.2750  0.0071 -4.4511 3  351.8095680 -59516140442 636 2    42 637 2      C-13-H3C(O)CH3
  309788.2834  0.0071 -5.3773 3  351.8095680  59516140442 636 2    42 537 2      C-13-H3C(O)CH3
  309788.2834  0.0071 -4.4511 3  351.8095680  59516140442 736 2    42 537 2      C-13-H3C(O)CH3
  309788.9098  0.0483 -5.7312 3 1155.3584540  595161404672938 3    672839 3      C-13-H3C(O)CH3
  309788.9098  0.0483 -5.7312 3 1155.3584540  595161404673038 3    672939 3      C-13-H3C(O)CH3
  309788.9604  0.0483 -5.7312 3 1155.3585540  595161404672938 4    672839 4      C-13-H3C(O)CH3
  309788.9604  0.0483 -5.7312 3 1155.3585540  595161404673038 4    672939 4      C-13-H3C(O)CH3
  309789.0004  0.1195 -6.0386 3  984.1324444  5951614045552 4 4    5551 5 4      C-13-H3C(O)CH3
  309789.6642  0.0077 -5.9083 3  351.8100680  59516140442 736 1    42 537 1      C-13-H3C(O)CH3
  309789.6642  0.0077 -5.9083 3  351.8100680  59516140442 636 1    42 637 1      C-13-H3C(O)CH3
  309789.7957  0.0077 -4.4163 3  351.8100680 -59516140442 736 1    42 637 1      C-13-H3C(O)CH3
  309789.7957  0.0077 -4.4163 3  351.8100680 -59516140442 636 1    42 537 1      C-13-H3C(O)CH3
  309792.1223  0.3356 -6.8779 3 1938.4383D68  595161404854441 1    854342 1      C-13-H3C(O)CH3
  309793.4253  0.3358 -6.8779 3 1938.4383D68  595161404854541 1    854442 1      C-13-H3C(O)CH3
  309795.2510  0.3294 -6.8780 3 1938.4405D68  595161404854441 2    854342 2      C-13-H3C(O)CH3
  309796.3375  0.3291 -6.8780 3 1938.4405D68  595161404854541 2    854442 2      C-13-H3C(O)CH3
  309808.4202  0.1453 -6.4434 3 1460.2668564  595161404705516 3    705417 3      C-13-H3C(O)CH3
  309811.7805  0.3374 -6.8779 3 1938.4438D68  595161404854441 0    854342 0      C-13-H3C(O)CH3
  309812.9417  0.3377 -6.8779 3 1938.4438D68  595161404854541 0    854442 0      C-13-H3C(O)CH3
  309842.1892  0.1156 -5.9697 3  593.6230372  595161404463016 4    462719 4      C-13-H3C(O)CH3
  309842.4505  0.0910 -6.0388 3  984.1450444  5951614045552 3 4    5551 4 4      C-13-H3C(O)CH3
  309843.0356  0.1061 -6.2433 3 1440.0824596  595161404743539 4    743440 4      C-13-H3C(O)CH3
  309843.0379  0.1061 -6.2433 3 1440.0824596  595161404743639 4    743540 4      C-13-H3C(O)CH3
  309843.0728  0.1060 -6.2433 3 1440.0824596  595161404743539 3    743440 3      C-13-H3C(O)CH3
  309843.0752  0.1060 -6.2433 3 1440.0824596  595161404743639 3    743540 3      C-13-H3C(O)CH3
  309845.8600  0.0064 -6.3504 3   34.6539200  59516140412 9 4 1    11 6 6 1      C-13-H3C(O)CH3
  309848.7459  0.0099 -6.7785 3  124.4928344  5951614042116 5 0    211110 0      C-13-H3C(O)CH3
  309870.4753  0.1111 -5.9422 3 1440.0651B92  595161404743539 1    743440 1      C-13-H3C(O)CH3
  309870.4777  0.1111 -5.9422 3 1440.0651B92  595161404743639 1    743540 1      C-13-H3C(O)CH3
  309874.1269  0.1085 -5.9424 3 1440.0680B92  595161404743539 2    743440 2      C-13-H3C(O)CH3
  309874.1287  0.1085 -5.9424 3 1440.0680B92  595161404743639 2    743540 2      C-13-H3C(O)CH3
  309875.4309  0.0057 -4.3034 3  104.2533164 -5951614042012 9 4    1911 8 4      C-13-H3C(O)CH3
  309880.2350  0.1717 -6.4433 3 1460.2692564  595161404705515 3    705416 3      C-13-H3C(O)CH3
  309885.4146  0.0024 -3.9393 3  159.6959244  59516140430 228 3    29 327 3      C-13-H3C(O)CH3
  309885.4146  0.0024 -4.1167 3  159.6959244  59516140430 328 3    29 327 3      C-13-H3C(O)CH3
  309885.4405  0.0024 -3.7180 3  159.6959244  59516140430 328 4    29 227 4      C-13-H3C(O)CH3
  309885.4517  0.0024 -4.1167 3  159.6959244 -59516140430 228 3    29 227 3      C-13-H3C(O)CH3
  309885.4517  0.0024 -3.7180 3  159.6959244 -59516140430 228 4    29 327 4      C-13-H3C(O)CH3
  309885.4517  0.0024 -3.9393 3  159.6959244 -59516140430 328 3    29 227 3      C-13-H3C(O)CH3
  309890.3552  0.0110 -4.7274 3  326.4368332  59516140441 636 4    41 437 4      C-13-H3C(O)CH3
  309890.3552  0.0110 -4.7274 3  326.4368332  59516140441 536 4    41 537 4      C-13-H3C(O)CH3
  309890.6064  0.0102 -5.1577 3  326.4368332  59516140441 636 3    41 437 3      C-13-H3C(O)CH3
  309890.6064  0.0102 -4.9271 3  326.4368332  59516140441 636 3    41 537 3      C-13-H3C(O)CH3
  309890.6064  0.0102 -5.1577 3  326.4368332  59516140441 536 3    41 537 3      C-13-H3C(O)CH3
  309890.6064  0.0102 -4.9271 3  326.4368332  59516140441 536 3    41 437 3      C-13-H3C(O)CH3
  309901.5148  0.1120 -5.9421 3 1440.0508B92  595161404743539 0    743440 0      C-13-H3C(O)CH3
  309901.5166  0.1120 -5.9421 3 1440.0508B92  595161404743639 0    743540 0      C-13-H3C(O)CH3
  309917.0326  0.0025 -4.4630 3  159.6539488  59516140430 228 1    29 227 1      C-13-H3C(O)CH3
  309917.0326  0.0025 -3.4577 3  159.6539488  59516140430 328 1    29 227 1      C-13-H3C(O)CH3
  309917.1309  0.0025 -3.4577 3  159.6539488 -59516140430 228 1    29 327 1      C-13-H3C(O)CH3
  309917.1309  0.0025 -3.4522 3  159.6535488 -59516140430 328 2    29 227 2      C-13-H3C(O)CH3
  309917.1309  0.0025 -4.5232 3  159.6535488 -59516140430 228 2    29 227 2      C-13-H3C(O)CH3
  309917.1309  0.0025 -4.4630 3  159.6539488 -59516140430 328 1    29 327 1      C-13-H3C(O)CH3
  309917.1718  0.0025 -3.4522 3  159.6535488  59516140430 228 2    29 327 2      C-13-H3C(O)CH3
  309917.1718  0.0025 -4.5232 3  159.6535488  59516140430 328 2    29 327 2      C-13-H3C(O)CH3
  309927.3580  0.1453 -6.4431 3 1460.2186564  595161404705516 4    705417 4      C-13-H3C(O)CH3
  309929.6227  0.0050 -4.3028 3  104.2522164 -5951614042012 9 3    1911 8 3      C-13-H3C(O)CH3
  309939.5913  0.0984 -6.0386 3  984.1425444  5951614045552 3 3    5551 4 3      C-13-H3C(O)CH3
  309948.7052  0.0022 -5.1347 3  159.6116488 -59516140430 228 0    29 327 0      C-13-H3C(O)CH3
  309948.7052  0.0022 -5.1347 3  159.6116488 -59516140430 328 0    29 227 0      C-13-H3C(O)CH3
  309948.7052  0.0022 -3.4250 3  159.6116488 -59516140430 228 0    29 227 0      C-13-H3C(O)CH3
  309948.7052  0.0022 -3.4250 3  159.6116488 -59516140430 328 0    29 327 0      C-13-H3C(O)CH3
  309951.3783  0.0362 -6.5672 3  486.6584680  595161404422517 1    412814 1      C-13-H3C(O)CH3
  309954.8146  0.0213 -5.7109 3  236.0225236  595161404292010 3    2821 7 3      C-13-H3C(O)CH3
  309965.8023  0.1432 -6.1422 3 1460.2940B28  595161404705515 1    705416 1      C-13-H3C(O)CH3
  309973.5043  0.1615 -6.1421 3 1460.3001B28  595161404705515 2    705416 2      C-13-H3C(O)CH3
  309998.5724  0.0068 -4.8862 3  351.8147680  59516140442 636 0    42 637 0      C-13-H3C(O)CH3
  309998.5724  0.0068 -4.8862 3  351.8147680  59516140442 736 0    42 537 0      C-13-H3C(O)CH3
  309998.6257  0.0068 -4.5743 3  351.8147680 -59516140442 636 0    42 537 0      C-13-H3C(O)CH3
  309998.6257  0.0068 -4.5743 3  351.8147680 -59516140442 736 0    42 637 0      C-13-H3C(O)CH3
  310020.8409  0.1169 -6.1420 3 1460.2495B28  595161404705516 2    705417 2      C-13-H3C(O)CH3
  310020.9993  0.0073 -6.4048 3   34.6528200  59516140412 9 4 2    11 6 6 2      C-13-H3C(O)CH3
  310034.4659  0.0370 -6.4304 3  486.6782680  595161404422517 0    412814 0      C-13-H3C(O)CH3
  310064.0121  0.0039 -3.9355 3   85.3294296 -5951614041812 7 0    1711 6 0      C-13-H3C(O)CH3
  310084.7779  0.1285 -6.1419 3 1460.2458B28  595161404705516 1    705417 1      C-13-H3C(O)CH3
  310138.5115  0.0049 -4.0017 3  104.2325328 -5951614042012 9 1    1911 8 1      C-13-H3C(O)CH3
  310150.6021  0.0113 -5.1183 3  236.0409472  595161404292010 2    2821 8 2      C-13-H3C(O)CH3
  310156.6031  0.0084 -4.4313 3  326.4314664  59516140441 636 2    41 437 2      C-13-H3C(O)CH3
  310156.6031  0.0084 -4.4313 3  326.4314664  59516140441 536 2    41 537 2      C-13-H3C(O)CH3
  310156.8260  0.0084 -6.2150 3  326.4314664 -59516140441 536 2    41 437 2      C-13-H3C(O)CH3
  310156.8260  0.0084 -6.2150 3  326.4314664 -59516140441 636 2    41 537 2      C-13-H3C(O)CH3
  310157.8205  0.0093 -5.9408 3  326.4318664  59516140441 536 1    41 537 1      C-13-H3C(O)CH3
  310157.8205  0.0093 -5.9408 3  326.4318664  59516140441 636 1    41 437 1      C-13-H3C(O)CH3
  310157.8815  0.0093 -4.4377 3  326.4318664 -59516140441 536 1    41 437 1      C-13-H3C(O)CH3
  310157.8815  0.0093 -4.4377 3  326.4318664 -59516140441 636 1    41 537 1      C-13-H3C(O)CH3
  310167.6259  0.0071 -6.9441 3   21.9863168  59516140410 8 3 0     9 3 6 0      C-13-H3C(O)CH3
  310171.4684  0.0163 -6.4838 3  212.2616440  5951614042721 7 1    2718 9 1      C-13-H3C(O)CH3
  310175.7784  0.0132 -6.1318 3  301.6628324  59516140440 536 4    40 437 4      C-13-H3C(O)CH3
  310175.7784  0.0132 -4.7862 3  301.6628324  59516140440 536 4    40 337 4      C-13-H3C(O)CH3
  310175.7784  0.0132 -4.7862 3  301.6628324  59516140440 436 4    40 437 4      C-13-H3C(O)CH3
  310175.7784  0.0132 -6.1318 3  301.6628324  59516140440 436 4    40 337 4      C-13-H3C(O)CH3
  310175.9033  0.0124 -5.5421 3  301.6628324  59516140440 536 3    40 437 3      C-13-H3C(O)CH3
  310175.9033  0.0124 -4.8469 3  301.6628324  59516140440 436 3    40 437 3      C-13-H3C(O)CH3
  310175.9033  0.0124 -5.5421 3  301.6628324  59516140440 436 3    40 337 3      C-13-H3C(O)CH3
  310175.9033  0.0124 -4.8469 3  301.6628324  59516140440 536 3    40 337 3      C-13-H3C(O)CH3
  310176.7541  0.0364 -6.5450 3  436.4862600  5951614043734 3 1    3635 1 1      C-13-H3C(O)CH3
  310177.8956  0.1154 -6.1417 3 1460.2767B28  595161404705515 0    705416 0      C-13-H3C(O)CH3
  310177.8956  0.1154 -6.1417 3 1460.2767B28  595161404705516 0    705417 0      C-13-H3C(O)CH3
  310195.6093  0.0189 -6.6032 3  272.9892252  5951614043122 9 3    311913 3      C-13-H3C(O)CH3
  310199.5150  0.0100 -5.7389 3  273.0279504  595161404312210 0    311913 0      C-13-H3C(O)CH3
  310216.3993  0.0128 -5.7704 3  273.0063504  595161404312210 2    311913 2      C-13-H3C(O)CH3
  310222.0015  0.0201 -5.9815 3   78.8476140  5951614041713 5 4    1612 4 4      C-13-H3C(O)CH3
  310223.5359  0.0128 -6.2398 3  273.0109504  5951614043122 9 1    311913 1      C-13-H3C(O)CH3
  310250.5110  0.0413 -6.8471 3  436.4628300  5951614043734 3 4    3635 1 4      C-13-H3C(O)CH3
  310250.6083  0.0124 -5.4022 3  236.0126236  595161404292010 3    2821 8 3      C-13-H3C(O)CH3
  310268.7423  0.0123 -6.1723 3  792.5271920  595161404572137 0    572038 0      C-13-H3C(O)CH3
  310268.7423  0.0123 -4.8475 3  792.5271920  595161404572137 0    571938 0      C-13-H3C(O)CH3
  310268.7423  0.0123 -6.1723 3  792.5271920  595161404572037 0    571938 0      C-13-H3C(O)CH3
  310268.7423  0.0123 -4.8475 3  792.5271920  595161404572037 0    572038 0      C-13-H3C(O)CH3
  310295.3789  0.0100 -6.1243 3  407.0760316  595161404392019 3    382316 3      C-13-H3C(O)CH3
  310301.4132  0.0101 -6.1243 3  407.0758316  595161404392019 4    382316 4      C-13-H3C(O)CH3
  310308.2134  0.0217 -6.7342 3  212.2462220  5951614042721 7 3    2718 9 3      C-13-H3C(O)CH3
  310313.5844  0.0187 -6.5028 3  272.9891252  5951614043122 9 4    311913 4      C-13-H3C(O)CH3
  310327.8376  0.0049 -4.0013 3  104.2231328 -5951614042012 9 2    1911 8 2      C-13-H3C(O)CH3
  310337.5223  0.0143 -6.0005 3  792.5195920  595161404572137 1    571938 1      C-13-H3C(O)CH3
  310337.5223  0.0143 -4.8573 3  792.5195920  595161404572137 1    572038 1      C-13-H3C(O)CH3
  310337.5223  0.0143 -6.0005 3  792.5195920  595161404572037 1    572038 1      C-13-H3C(O)CH3
  310337.5223  0.0143 -4.8573 3  792.5195920  595161404572037 1    571938 1      C-13-H3C(O)CH3
  310339.3106  0.0164 -5.7105 3  792.5193920  595161404572037 2    571938 2      C-13-H3C(O)CH3
  310339.3106  0.0164 -4.8881 3  792.5193920  595161404572037 2    572038 2      C-13-H3C(O)CH3
  310339.3106  0.0164 -4.8881 3  792.5193920  595161404572137 2    571938 2      C-13-H3C(O)CH3
  310339.3106  0.0164 -5.7105 3  792.5193920  595161404572137 2    572038 2      C-13-H3C(O)CH3
  310367.6091  0.0088 -5.0244 3  236.0245472  595161404292010 1    2821 8 1      C-13-H3C(O)CH3
  310386.0519  0.0107 -5.8237 3  407.1014632  595161404392019 1    382316 1      C-13-H3C(O)CH3
  310389.8925  0.0110 -5.8216 3  407.0966632  595161404392019 2    382316 2      C-13-H3C(O)CH3
  310389.9691  0.0754 -5.6267 3  645.1737776  595161404483117 0    482820 0      C-13-H3C(O)CH3
  310408.1896  0.0152 -5.1289 3  792.5117460  595161404572137 3    571938 3      C-13-H3C(O)CH3
  310408.1896  0.0152 -5.1289 3  792.5117460  595161404572037 3    572038 3      C-13-H3C(O)CH3
  310408.3338  0.0153 -5.1289 3  792.5117460  595161404572037 4    571938 4      C-13-H3C(O)CH3
  310408.3338  0.0153 -5.1289 3  792.5117460  595161404572137 4    572038 4      C-13-H3C(O)CH3
  310408.3935  0.0022 -4.2030 3  124.6376180 -595161404221111 3    211210 3      C-13-H3C(O)CH3
  310416.1969  0.0343 -6.5433 3  436.4846600  5951614043734 3 0    3635 2 0      C-13-H3C(O)CH3
  310416.1969  0.0343 -6.5433 3  436.4846600  5951614043734 4 0    3635 1 0      C-13-H3C(O)CH3
  310418.3957  0.0023 -4.2029 3  124.6374180 -595161404221111 4    211210 4      C-13-H3C(O)CH3
  310423.3153  0.0080 -4.4390 3  326.4264664  59516140441 636 0    41 537 0      C-13-H3C(O)CH3
  310423.3153  0.0080 -4.4390 3  326.4264664  59516140441 536 0    41 437 0      C-13-H3C(O)CH3
  310423.3153  0.0080 -5.8744 3  326.4264664  59516140441 536 0    41 537 0      C-13-H3C(O)CH3
  310423.3153  0.0080 -5.8744 3  326.4264664  59516140441 636 0    41 437 0      C-13-H3C(O)CH3
  310423.3986  0.0780 -5.8046 3  958.3447872  5951614045452 2 0    5451 3 0      C-13-H3C(O)CH3
  310423.3986  0.0780 -5.8046 3  958.3447872  5951614045452 3 0    5451 4 0      C-13-H3C(O)CH3
  310435.9275  0.0152 -5.3939 3  277.4836316  59516140439 436 3    39 237 3      C-13-H3C(O)CH3
  310435.9275  0.0152 -4.9781 3  277.4836316  59516140439 336 3    39 237 3      C-13-H3C(O)CH3
  310435.9275  0.0152 -5.3939 3  277.4836316  59516140439 336 3    39 337 3      C-13-H3C(O)CH3
  310435.9275  0.0152 -4.9781 3  277.4836316  59516140439 436 3    39 337 3      C-13-H3C(O)CH3
  310436.0047  0.0161 -4.8396 3  277.4836316  59516140439 336 4    39 337 4      C-13-H3C(O)CH3
  310436.0047  0.0161 -6.8957 3  277.4836316  59516140439 336 4    39 237 4      C-13-H3C(O)CH3
  310436.0047  0.0161 -4.8408 3  277.4836316  59516140439 436 4    39 237 4      C-13-H3C(O)CH3
  310457.5216  0.0116 -6.9132 3  273.0063504  5951614043122 9 2    311913 2      C-13-H3C(O)CH3
  310475.6317  0.0022 -3.9030 3  124.6246360 -595161404221111 2    211210 2      C-13-H3C(O)CH3
  310478.4635  0.0103 -5.8221 3  407.1221632  595161404392019 0    382316 0      C-13-H3C(O)CH3
  310489.7996  0.0357 -6.5444 3  436.4613600  5951614043734 3 2    3635 1 2      C-13-H3C(O)CH3
  310504.8640  0.0115 -5.7563 3  301.6451648  59516140440 436 2    40 337 2      C-13-H3C(O)CH3
  310504.8640  0.0115 -4.4875 3  301.6451648  59516140440 436 2    40 437 2      C-13-H3C(O)CH3
  310504.8640  0.0115 -5.7563 3  301.6451648  59516140440 536 2    40 437 2      C-13-H3C(O)CH3
  310504.8640  0.0115 -4.4875 3  301.6451648  59516140440 536 2    40 337 2      C-13-H3C(O)CH3
  310504.8726  0.0022 -3.9022 3  124.6283360 -595161404221111 1    211210 1      C-13-H3C(O)CH3
  310505.5589  0.0197 -6.6212 3  212.2462220  5951614042721 6 3    2718 9 3      C-13-H3C(O)CH3
  310505.8908  0.0126 -5.9722 3  301.6455648  59516140440 436 1    40 437 1      C-13-H3C(O)CH3
  310505.8908  0.0126 -4.4786 3  301.6455648  59516140440 436 1    40 337 1      C-13-H3C(O)CH3
  310505.8908  0.0126 -4.4786 3  301.6455648  59516140440 536 1    40 437 1      C-13-H3C(O)CH3
  310505.8908  0.0126 -5.9722 3  301.6455648  59516140440 536 1    40 337 1      C-13-H3C(O)CH3
  310532.0492  0.0816 -5.8046 3  958.3912872  5951614045452 2 1    5451 3 1      C-13-H3C(O)CH3
  310552.3018  0.0063 -4.3049 3   94.5674156 -5951614041912 8 4    1811 7 4      C-13-H3C(O)CH3
  310560.2450  0.0047 -4.0009 3  104.2030328 -5951614042012 9 0    1911 8 0      C-13-H3C(O)CH3
  310567.5835  0.0020 -3.9032 3  124.6154360 -595161404221111 0    211210 0      C-13-H3C(O)CH3
  310580.9551  0.3429 -6.8812 3 1727.2734620  595161404775720 4    775621 4      C-13-H3C(O)CH3
  310581.4152  0.2806 -6.8810 3 1727.2330620  595161404775720 3    775621 3      C-13-H3C(O)CH3
  310584.7103  0.0105 -5.6228 3  304.6328536  595161404332212 1    331915 1      C-13-H3C(O)CH3
  310587.5380  0.1017 -5.8043 3  958.3593872  5951614045452 3 2    5451 4 2      C-13-H3C(O)CH3
  310590.1453  0.0398 -6.5436 3  436.4211600  5951614043734 4 1    3635 2 1      C-13-H3C(O)CH3
  310599.3503  0.0113 -5.1164 3  236.0634472  5951614042920 9 2    2821 7 2      C-13-H3C(O)CH3
  310663.5166  0.0054 -4.3010 3   94.5661156 -5951614041912 8 3    1811 7 3      C-13-H3C(O)CH3
  310663.9564  0.0412 -6.8457 3  436.3978300  5951614043734 4 3    3635 2 3      C-13-H3C(O)CH3
  310664.7514  0.2971 -6.8809 3 1727.2213620  595161404775721 3    775622 3      C-13-H3C(O)CH3
  310665.3628  0.2219 -6.8807 3 1727.1809620  595161404775721 4    775622 4      C-13-H3C(O)CH3
  310668.2944  0.0922 -5.8043 3  958.3858872  5951614045452 3 1    5451 4 1      C-13-H3C(O)CH3
  310671.6998  0.0190 -6.0949 3  253.9001308  59516140438 236 3    38 137 3      C-13-H3C(O)CH3
  310671.6998  0.0190 -6.0949 3  253.9001308  59516140438 336 3    38 237 3      C-13-H3C(O)CH3
  310671.6998  0.0190 -4.9921 3  253.9001308  59516140438 236 3    38 237 3      C-13-H3C(O)CH3
  310671.6998  0.0190 -4.9921 3  253.9001308  59516140438 336 3    38 137 3      C-13-H3C(O)CH3
  310672.0741  0.0199 -4.9615 3  253.9002308  59516140438 236 4    38 137 4      C-13-H3C(O)CH3
  310672.0741  0.0199 -4.9615 3  253.9002308  59516140438 336 4    38 237 4      C-13-H3C(O)CH3
  310678.2729  0.0413 -6.8447 3  436.4201300  5951614043734 3 3    3635 1 3      C-13-H3C(O)CH3
  310689.3293  0.0040 -4.2519 3  114.2739172 -595161404211210 4    2011 9 4      C-13-H3C(O)CH3
  310690.7093  0.0131 -5.2865 3  236.0450236  5951614042920 9 4    2821 7 4      C-13-H3C(O)CH3
  310697.5359  0.1105 -6.1054 3  958.4058436  5951614045452 3 3    5451 4 3      C-13-H3C(O)CH3
  310698.8949  0.0115 -5.2878 3  235.9902236  595161404292010 4    2821 8 4      C-13-H3C(O)CH3
  310709.9246  0.0101 -5.6218 3  304.6524536  595161404332212 0    331915 0      C-13-H3C(O)CH3
  310719.5281  0.0858 -5.8043 3  958.3781872  5951614045452 2 2    5451 3 2      C-13-H3C(O)CH3
  310720.1901  0.0048 -4.2518 3  114.2731172 -595161404211210 3    2011 9 3      C-13-H3C(O)CH3
  310723.9324  0.0117 -5.9279 3  304.6071268  595161404332212 3    331915 3      C-13-H3C(O)CH3
  310729.5188  0.0278 -6.1652 3  405.8432584  5951614043632 4 1    3533 2 1      C-13-H3C(O)CH3
  310732.3281  0.2982 -6.5798 3 1727.2628C40  595161404775720 1    775621 1      C-13-H3C(O)CH3
  310733.7607  0.0173 -6.4322 3  212.2590440  5951614042721 7 2    2718 9 2      C-13-H3C(O)CH3
  310749.5655  0.0113 -5.9240 3  304.6071268  595161404332212 4    331915 4      C-13-H3C(O)CH3
  310776.4380  0.0093 -5.0221 3  236.0568472  5951614042920 9 1    2821 7 1      C-13-H3C(O)CH3
  310792.1288  0.0086 -4.9258 3  236.0746472  5951614042920 9 0    2821 8 0      C-13-H3C(O)CH3
  310816.3745  0.2516 -6.5795 3 1727.2108C40  595161404775721 1    775622 1      C-13-H3C(O)CH3
  310829.9573  0.0999 -6.1053 3  958.4246436  5951614045452 2 4    5451 3 4      C-13-H3C(O)CH3
  310833.6612  0.1348 -6.1050 3  958.4002436  5951614045452 3 4    5451 4 4      C-13-H3C(O)CH3
  310834.1928  0.0165 -4.6413 3  277.4514632  59516140439 436 2    39 237 2      C-13-H3C(O)CH3
  310834.1928  0.0165 -4.6413 3  277.4514632  59516140439 336 2    39 337 2      C-13-H3C(O)CH3
  310834.1973  0.0107 -4.4637 3  301.6279648 -59516140440 436 0    40 337 0      C-13-H3C(O)CH3
  310834.1973  0.0107 -4.4637 3  301.6279648 -59516140440 536 0    40 437 0      C-13-H3C(O)CH3
  310834.1973  0.0165 -5.1958 3  277.4514632 -59516140439 436 2    39 337 2      C-13-H3C(O)CH3
  310834.1973  0.0165 -5.1958 3  277.4514632 -59516140439 336 2    39 237 2      C-13-H3C(O)CH3
  310835.0134  0.0177 -5.1283 3  277.4518632  59516140439 336 1    39 237 1      C-13-H3C(O)CH3
  310835.0134  0.0177 -4.6623 3  277.4518632  59516140439 436 1    39 237 1      C-13-H3C(O)CH3
  310835.0134  0.0177 -5.1283 3  277.4518632  59516140439 436 1    39 337 1      C-13-H3C(O)CH3
  310835.0134  0.0177 -4.6623 3  277.4518632  59516140439 336 1    39 337 1      C-13-H3C(O)CH3
  310852.0929  0.0278 -6.1639 3  405.8588584  5951614043632 5 0    3533 3 0      C-13-H3C(O)CH3
  310852.0929  0.0278 -6.1639 3  405.8588584  5951614043632 4 0    3533 2 0      C-13-H3C(O)CH3
  310862.4344  0.3023 -6.5795 3 1727.2589C40  595161404775720 2    775621 2      C-13-H3C(O)CH3
  310863.0393  0.2368 -6.5794 3 1727.2185C40  595161404775721 2    775622 2      C-13-H3C(O)CH3
  310867.0132  0.0102 -5.6240 3  304.6269536  595161404332212 2    331915 2      C-13-H3C(O)CH3
  310879.3645  0.0041 -3.9509 3  114.2585344 -595161404211210 1    2011 9 1      C-13-H3C(O)CH3
  310879.4362  0.0065 -6.6634 3   87.0518312  59516140419 811 2    19 514 2      C-13-H3C(O)CH3
  310881.7210  0.0055 -4.0789 3  127.0603360 -595161404221210 2    2113 9 2      C-13-H3C(O)CH3
  310884.2346  0.0237 -5.2146 3  230.9133300  59516140437 236 3    37 037 3      C-13-H3C(O)CH3
  310884.2346  0.0237 -5.2146 3  230.9133300  59516140437 136 3    37 137 3      C-13-H3C(O)CH3
  310885.0222  0.0246 -5.7280 3  230.9133300  59516140437 136 4    37 137 4      C-13-H3C(O)CH3
  310885.0222  0.0246 -5.7280 3  230.9133300  59516140437 236 4    37 037 4      C-13-H3C(O)CH3
  310885.0222  0.0246 -5.3631 3  230.9133300  59516140437 236 4    37 137 4      C-13-H3C(O)CH3
  310885.0222  0.0246 -5.3631 3  230.9133300  59516140437 136 4    37 037 4      C-13-H3C(O)CH3
  310899.4118  0.0053 -4.0001 3   94.5422312 -5951614041912 8 1    1811 7 1      C-13-H3C(O)CH3
  310908.7412  0.0826 -5.7450 3 1130.3995968  5951614046053 7 2    6052 8 2      C-13-H3C(O)CH3
  310916.4060  0.0369 -6.5420 3  436.4185600  5951614043734 4 2    3635 2 2      C-13-H3C(O)CH3
  310916.4429  0.0047 -4.0798 3  127.0531360 -595161404221210 0    2113 9 0      C-13-H3C(O)CH3
  310916.8793  0.0064 -6.6641 3   87.0528312  59516140419 811 1    19 514 1      C-13-H3C(O)CH3
  310928.2539  0.0065 -6.6633 3   87.0518312  59516140419 911 2    19 614 2      C-13-H3C(O)CH3
  310938.6981  0.0303 -6.4667 3  405.8111292  5951614043632 4 4    3533 2 4      C-13-H3C(O)CH3
  310961.0392  0.0967 -6.0460 3 1130.4250484  5951614046053 7 4    6052 8 4      C-13-H3C(O)CH3
  310964.2299  0.0064 -6.6640 3   87.0528312  59516140419 911 1    19 614 1      C-13-H3C(O)CH3
  310966.5072  0.1104 -6.1050 3  958.4190436  5951614045452 2 3    5451 3 3      C-13-H3C(O)CH3
  310983.8348  0.0029 -3.6854 3  161.9387252  59516140431 130 3    30 129 3      C-13-H3C(O)CH3
  310983.8546  0.0029 -3.7270 3  161.9387252  59516140431 130 4    30 129 4      C-13-H3C(O)CH3
  310983.8546  0.0029 -3.7270 3  161.9387252  59516140431 230 4    30 229 4      C-13-H3C(O)CH3
  310983.8767  0.0029 -3.6854 3  161.9387252 -59516140431 230 3    30 229 3      C-13-H3C(O)CH3
  310983.8767  0.0029 -4.7237 3  161.9387252 -59516140431 130 4    30 229 4      C-13-H3C(O)CH3
  310983.8767  0.0029 -4.7237 3  161.9387252 -59516140431 230 4    30 129 4      C-13-H3C(O)CH3
  310984.1374  0.0830 -6.0460 3 1130.4084484  5951614046053 7 3    6052 8 3      C-13-H3C(O)CH3
  310989.0564  0.0063 -4.3767 3  127.0710180  595161404221210 3    2113 9 3      C-13-H3C(O)CH3
  310993.0684  0.0783 -5.7448 3 1130.3817968  5951614046053 7 0    6052 8 0      C-13-H3C(O)CH3
  310993.0684  0.0783 -5.7448 3 1130.3817968  5951614046053 8 0    6052 9 0      C-13-H3C(O)CH3
  311003.9466  0.0030 -3.4087 3  161.8849504  59516140431 230 1    30 229 1      C-13-H3C(O)CH3
  311003.9466  0.0030 -3.4087 3  161.8849504  59516140431 130 1    30 129 1      C-13-H3C(O)CH3
  311004.0123  0.0030 -5.1338 3  161.8844504 -59516140431 230 2    30 129 2      C-13-H3C(O)CH3
  311004.0123  0.0030 -4.6431 3  161.8849504 -59516140431 230 1    30 129 1      C-13-H3C(O)CH3
  311004.0123  0.0030 -3.3920 3  161.8844504 -59516140431 130 2    30 129 2      C-13-H3C(O)CH3
  311004.0123  0.0030 -4.6431 3  161.8849504 -59516140431 130 1    30 229 1      C-13-H3C(O)CH3
  311004.0527  0.0030 -3.3920 3  161.8844504  59516140431 230 2    30 229 2      C-13-H3C(O)CH3
  311004.0527  0.0030 -5.1338 3  161.8844504  59516140431 130 2    30 229 2      C-13-H3C(O)CH3
  311013.7264  0.0043 -3.9512 3  114.2503344 -595161404211210 2    2011 9 2      C-13-H3C(O)CH3
  311013.9229  0.2876 -6.5792 3 1727.2484C40  595161404775720 0    775621 0      C-13-H3C(O)CH3
  311013.9235  0.2876 -6.5792 3 1727.2484C40  595161404775721 0    775622 0      C-13-H3C(O)CH3
  311021.7760  0.0355 -5.3585 3 1115.4128A64  595161404662938 0    662839 0      C-13-H3C(O)CH3
  311021.7760  0.0355 -5.3585 3 1115.4128A64  595161404662838 0    662739 0      C-13-H3C(O)CH3
  311024.1077  0.0026 -4.6855 3  161.8307504  59516140431 230 0    30 129 0      C-13-H3C(O)CH3
  311024.1077  0.0026 -4.6855 3  161.8307504  59516140431 130 0    30 229 0      C-13-H3C(O)CH3
  311024.1352  0.0026 -3.4063 3  161.8307504 -59516140431 230 0    30 229 0      C-13-H3C(O)CH3
  311024.1352  0.0026 -3.4063 3  161.8307504 -59516140431 130 0    30 129 0      C-13-H3C(O)CH3
  311030.4664  0.1201 -6.2052 3 1289.1215524  595161404655411 4    655312 4      C-13-H3C(O)CH3
  311030.8163  0.0369 -5.3584 3 1115.4289A64  595161404662838 1    662739 1      C-13-H3C(O)CH3
  311030.8163  0.0369 -5.3584 3 1115.4289A64  595161404662938 1    662839 1      C-13-H3C(O)CH3
  311035.4688  0.0422 -5.3587 3 1115.4302A64  595161404662938 2    662839 2      C-13-H3C(O)CH3
  311035.4688  0.0422 -5.3586 3 1115.4302A64  595161404662838 2    662739 2      C-13-H3C(O)CH3
  311044.5620  0.0425 -5.6594 3 1115.4463532  595161404662838 3    662739 3      C-13-H3C(O)CH3
  311044.5620  0.0425 -5.6594 3 1115.4463532  595161404662938 3    662839 3      C-13-H3C(O)CH3
  311044.6289  0.0426 -5.6594 3 1115.4463532  595161404662938 4    662839 4      C-13-H3C(O)CH3
  311044.6289  0.0426 -5.6594 3 1115.4463532  595161404662838 4    662739 4      C-13-H3C(O)CH3
  311046.0887  0.0781 -5.7448 3 1130.4073968  5951614046053 7 1    6052 8 1      C-13-H3C(O)CH3
  311047.5194  0.0063 -4.3768 3  127.0697180 -595161404221210 4    2113 9 4      C-13-H3C(O)CH3
  311050.8023  0.0054 -4.0766 3  127.0631360  595161404221210 1    2113 9 1      C-13-H3C(O)CH3
  311055.6386  0.0114 -6.2854 3  758.3640904  595161404562037 0    561838 0      C-13-H3C(O)CH3
  311055.6386  0.0114 -6.2854 3  758.3640904  595161404561937 0    561938 0      C-13-H3C(O)CH3
  311055.6386  0.0114 -4.7886 3  758.3640904  595161404561937 0    561838 0      C-13-H3C(O)CH3
  311055.6386  0.0114 -4.7886 3  758.3640904  595161404562037 0    561938 0      C-13-H3C(O)CH3
  311060.8374  0.0275 -6.1643 3  405.8267584  5951614043632 4 2    3533 2 2      C-13-H3C(O)CH3
  311066.7688  0.0756 -5.7447 3 1130.3766968  5951614046053 8 2    6052 9 2      C-13-H3C(O)CH3
  311068.2055  0.0714 -5.7448 3 1130.3906968  5951614046053 8 1    6052 9 1      C-13-H3C(O)CH3
  311087.6446  0.0462 -6.8433 3  436.3551300  5951614043734 4 4    3635 2 4      C-13-H3C(O)CH3
  311102.0394  0.0052 -3.9986 3   94.5337312 -5951614041912 8 2    1811 7 2      C-13-H3C(O)CH3
  311108.7538  0.0031 -4.1596 3   76.6841140  5951614041712 5 3    1611 6 3      C-13-H3C(O)CH3
  311112.0838  0.0311 -6.1637 3  405.7921584  5951614043632 5 1    3533 3 1      C-13-H3C(O)CH3
  311119.7755  0.0856 -6.0457 3 1130.4020484  5951614046053 8 3    6052 9 3      C-13-H3C(O)CH3
  311122.9471  0.0078 -6.1666 3  195.8989220  595161404271612 4    271315 4      C-13-H3C(O)CH3
  311126.2584  0.0073 -5.9529 3  179.7602424  595161404261412 2    261115 2      C-13-H3C(O)CH3
  311126.6543  0.1059 -5.9039 3 1289.1025A48  595161404655411 2    655312 2      C-13-H3C(O)CH3
  311127.4480  0.0132 -4.7780 3  758.3526904  595161404562037 1    561938 1      C-13-H3C(O)CH3
  311127.4480  0.0132 -6.8977 3  758.3526904  595161404562037 1    561838 1      C-13-H3C(O)CH3
  311127.4480  0.0132 -4.7780 3  758.3526904  595161404561937 1    561838 1      C-13-H3C(O)CH3
  311127.4480  0.0132 -6.8977 3  758.3526904  595161404561937 1    561938 1      C-13-H3C(O)CH3
  311127.7981  0.0066 -6.1666 3  195.8988220  595161404271612 3    271315 3      C-13-H3C(O)CH3
  311128.7735  0.0147 -4.8172 3  758.3523904  595161404561937 2    561938 2      C-13-H3C(O)CH3
  311128.7735  0.0147 -5.8060 3  758.3523904  595161404562037 2    561938 2      C-13-H3C(O)CH3
  311128.7735  0.0147 -5.8060 3  758.3523904  595161404561937 2    561838 2      C-13-H3C(O)CH3
  311128.7735  0.0147 -4.8172 3  758.3523904  595161404562037 2    561838 2      C-13-H3C(O)CH3
  311130.2775  0.1110 -6.2050 3 1289.0868524  595161404655411 3    655312 3      C-13-H3C(O)CH3
  311142.3514  0.0904 -6.0458 3 1130.3854484  5951614046053 8 4    6052 9 4      C-13-H3C(O)CH3
  311145.2261  0.0127 -5.3987 3  236.0225236  5951614042920 9 3    2821 7 3      C-13-H3C(O)CH3
  311145.6547  0.0234 -5.3935 3  253.8512616  59516140438 236 2    38 237 2      C-13-H3C(O)CH3
  311145.6547  0.0234 -5.3935 3  253.8512616  59516140438 336 2    38 137 2      C-13-H3C(O)CH3
  311145.6547  0.0234 -4.7441 3  253.8512616  59516140438 236 2    38 137 2      C-13-H3C(O)CH3
  311145.6547  0.0234 -4.7441 3  253.8512616  59516140438 336 2    38 237 2      C-13-H3C(O)CH3
  311145.6738  0.1055 -6.2050 3 1289.0776524  595161404655412 3    655313 3      C-13-H3C(O)CH3
  311146.2660  0.0247 -4.7008 3  253.8516616  59516140438 236 1    38 137 1      C-13-H3C(O)CH3
  311146.2660  0.0247 -4.7008 3  253.8516616  59516140438 336 1    38 237 1      C-13-H3C(O)CH3
  311146.2660  0.0247 -5.6699 3  253.8516616  59516140438 336 1    38 137 1      C-13-H3C(O)CH3
  311146.2660  0.0247 -5.6699 3  253.8516616  59516140438 236 1    38 237 1      C-13-H3C(O)CH3
  311155.6474  0.0066 -5.8636 3  195.9058440  595161404271612 2    271315 2      C-13-H3C(O)CH3
  311159.2447  0.0681 -5.6345 3  645.1519776  595161404483117 1    482820 1      C-13-H3C(O)CH3
  311170.5441  0.0084 -6.2560 3  179.7572212  595161404261412 3    261115 3      C-13-H3C(O)CH3
  311179.6714  0.0100 -6.2560 3  179.7572212  595161404261412 4    261115 4      C-13-H3C(O)CH3
  311186.2605  0.0035 -3.9512 3  114.2354344 -595161404211210 0    2011 9 0      C-13-H3C(O)CH3
  311200.6838  0.0138 -5.0808 3  758.3409452  595161404561937 3    561938 3      C-13-H3C(O)CH3
  311200.6838  0.0138 -5.0808 3  758.3409452  595161404562037 3    561838 3      C-13-H3C(O)CH3
  311200.8196  0.0139 -5.4113 3  758.3409452  595161404561937 4    561938 4      C-13-H3C(O)CH3
  311200.8196  0.0139 -5.3443 3  758.3409452  595161404561937 4    561838 4      C-13-H3C(O)CH3
  311200.8196  0.0139 -5.3443 3  758.3409452  595161404562037 4    561938 4      C-13-H3C(O)CH3
  311200.8196  0.0139 -5.4113 3  758.3409452  595161404562037 4    561838 4      C-13-H3C(O)CH3
  311211.0713  0.0066 -5.8641 3  195.9090440  595161404271612 1    271315 1      C-13-H3C(O)CH3
  311217.2015  0.0971 -5.9038 3 1289.0992A48  595161404655411 1    655312 1      C-13-H3C(O)CH3
  311219.4256  0.0313 -6.4646 3  405.7839292  5951614043632 4 3    3533 2 3      C-13-H3C(O)CH3
  311231.1806  0.0061 -6.6599 3   87.0183312  59516140419 811 0    19 514 0      C-13-H3C(O)CH3
  311232.4180  0.0155 -4.5563 3  277.4197632  59516140439 436 0    39 337 0      C-13-H3C(O)CH3
  311232.4180  0.0155 -4.5563 3  277.4197632  59516140439 336 0    39 237 0      C-13-H3C(O)CH3
  311232.4180  0.0155 -5.8156 3  277.4197632  59516140439 336 0    39 337 0      C-13-H3C(O)CH3
  311232.4180  0.0155 -5.8156 3  277.4197632  59516140439 436 0    39 237 0      C-13-H3C(O)CH3
  311240.6821  0.0065 -5.8619 3  195.9160440  595161404271612 0    271315 0      C-13-H3C(O)CH3
  311241.5902  0.0920 -5.9037 3 1289.0587A48  595161404655412 2    655313 2      C-13-H3C(O)CH3
  311245.1157  0.1180 -6.2048 3 1289.0430524  595161404655412 4    655313 4      C-13-H3C(O)CH3
  311245.4286  0.0067 -5.9511 3  179.7659424  595161404261412 0    261115 0      C-13-H3C(O)CH3
  311247.0444  0.0150 -6.2838 3  212.2616440  5951614042721 6 1    2718 9 1      C-13-H3C(O)CH3
  311266.2121  0.0117 -5.1510 3  277.0701504  5951614043123 9 0    3024 6 0      C-13-H3C(O)CH3
  311267.5400  0.0220 -6.5503 3  212.2501220  5951614042721 6 4    2718 9 4      C-13-H3C(O)CH3
  311272.4421  0.0167 -5.3732 3  236.0409472  5951614042920 9 2    2821 8 2      C-13-H3C(O)CH3
  311280.4597  0.0061 -6.6598 3   87.0183312  59516140419 911 0    19 614 0      C-13-H3C(O)CH3
  311284.9135  0.0117 -5.1509 3  277.0701504  5951614043123 8 0    3024 7 0      C-13-H3C(O)CH3
  311292.5617  0.0074 -5.9534 3  179.7629424  595161404261412 1    261115 1      C-13-H3C(O)CH3
  311306.7114  0.0884 -5.9233 3  933.1026856  5951614045352 1 0    5351 2 0      C-13-H3C(O)CH3
  311306.7114  0.0884 -5.9233 3  933.1026856  5951614045352 2 0    5351 3 0      C-13-H3C(O)CH3
  311312.6179  0.0872 -5.9036 3 1289.0802A48  595161404655412 0    655312 0      C-13-H3C(O)CH3
  311312.6179  0.0872 -5.9036 3 1289.0802A48  595161404655411 0    655313 0      C-13-H3C(O)CH3
  311316.3872  0.0899 -5.9036 3 1289.0645A48  595161404655412 1    655313 1      C-13-H3C(O)CH3
  311319.9496  0.0314 -6.4651 3  405.7602292  5951614043632 5 3    3533 3 3      C-13-H3C(O)CH3
  311342.1120  0.0288 -6.1622 3  405.7994584  5951614043632 5 2    3533 3 2      C-13-H3C(O)CH3
  311379.3215  0.0109 -5.1507 3  277.0475504  5951614043123 8 2    3024 6 2      C-13-H3C(O)CH3
  311389.2866  0.0049 -3.9968 3   94.5094312 -5951614041912 8 0    1811 7 0      C-13-H3C(O)CH3
  311408.4836  0.0919 -5.9234 3  933.1564856  5951614045352 1 1    5351 2 1      C-13-H3C(O)CH3
  311418.2791  0.0024 -3.8510 3   76.6350280 -5951614041712 5 0    1611 6 0      C-13-H3C(O)CH3
  311420.5480  0.0173 -6.8201 3  171.1178196  5951614042420 4 3    2417 7 3      C-13-H3C(O)CH3
  311421.9361  0.0278 -6.7959 3  788.6357888  595161404552530 0    542827 0      C-13-H3C(O)CH3
  311424.1265  0.0047 -4.9521 3   45.8767116  59516140414 8 7 4    13 5 8 4      C-13-H3C(O)CH3
  311427.9796  0.0278 -6.7959 3  788.6355888  595161404552630 0    542727 0      C-13-H3C(O)CH3
  311431.4741  0.0317 -6.7951 3  788.6352888  595161404552530 1    542827 1      C-13-H3C(O)CH3
  311438.0459  0.0316 -6.7951 3  788.6350888  595161404552630 1    542727 1      C-13-H3C(O)CH3
  311438.1394  0.0036 -4.9521 3   45.8766116  59516140414 8 7 3    13 5 8 3      C-13-H3C(O)CH3
  311440.0847  0.0361 -6.7942 3  788.6349888  595161404552530 2    542827 2      C-13-H3C(O)CH3
  311440.2552  0.0324 -4.9511 3  230.8451600  59516140437 136 2    37 037 2      C-13-H3C(O)CH3
  311440.2552  0.0324 -5.8932 3  230.8451600  59516140437 136 2    37 137 2      C-13-H3C(O)CH3
  311440.2552  0.0324 -4.9511 3  230.8451600  59516140437 236 2    37 137 2      C-13-H3C(O)CH3
  311440.2552  0.0324 -5.8932 3  230.8451600  59516140437 236 2    37 037 2      C-13-H3C(O)CH3
  311440.6676  0.0338 -4.9084 3  230.8455600  59516140437 236 1    37 037 1      C-13-H3C(O)CH3
  311440.6676  0.0338 -6.9376 3  230.8455600  59516140437 136 1    37 037 1      C-13-H3C(O)CH3
  311440.6676  0.0338 -4.9084 3  230.8455600  59516140437 136 1    37 137 1      C-13-H3C(O)CH3
  311440.6676  0.0338 -6.9376 3  230.8455600  59516140437 236 1    37 137 1      C-13-H3C(O)CH3
  311441.0198  0.0214 -5.7063 3  236.0126236  5951614042920 9 3    2821 8 3      C-13-H3C(O)CH3
  311446.6419  0.0362 -6.7942 3  788.6347888  595161404552630 2    542727 2      C-13-H3C(O)CH3
  311491.8862  0.0043 -5.9743 3   34.7068100  59516140412 9 3 3    11 6 6 3      C-13-H3C(O)CH3
  311510.7131  0.0939 -6.1600 3 1396.2092588  595161404733439 4    733340 4      C-13-H3C(O)CH3
  311510.7139  0.0939 -6.1600 3 1396.2092588  595161404733539 4    733440 4      C-13-H3C(O)CH3
  311510.7395  0.0939 -6.1600 3 1396.2092588  595161404733439 3    733340 3      C-13-H3C(O)CH3
  311510.7403  0.0939 -6.1600 3 1396.2092588  595161404733539 3    733440 3      C-13-H3C(O)CH3
  311533.3092  0.0135 -6.0724 3  212.2724440  5951614042721 6 0    2718 9 0      C-13-H3C(O)CH3
  311533.9599  0.4156 -6.7954 3 1850.7358C88  595161404805822 1    805723 1      C-13-H3C(O)CH3
  311535.0206  0.0967 -5.8589 3 1396.1907B76  595161404733439 1    733340 1      C-13-H3C(O)CH3
  311535.0214  0.0967 -5.8589 3 1396.1907B76  595161404733539 1    733440 1      C-13-H3C(O)CH3
  311538.7835  0.1166 -5.9229 3  933.1187856  5951614045352 2 2    5351 3 2      C-13-H3C(O)CH3
  311538.9011  0.0955 -5.8590 3 1396.1934B76  595161404733439 2    733340 2      C-13-H3C(O)CH3
  311538.9017  0.0955 -5.8590 3 1396.1934B76  595161404733539 2    733440 2      C-13-H3C(O)CH3
  311556.4365  0.0113 -5.1508 3  277.0172504  5951614043123 9 1    3024 7 1      C-13-H3C(O)CH3
  311563.1780  0.0974 -5.8587 3 1396.1750B76  595161404733439 0    733340 0      C-13-H3C(O)CH3
  311563.1786  0.0974 -5.8587 3 1396.1750B76  595161404733539 0    733440 0      C-13-H3C(O)CH3
  311586.2342  0.1050 -5.9230 3  933.1485856  5951614045352 2 1    5351 3 1      C-13-H3C(O)CH3
  311587.5447  0.0112 -5.1499 3  277.0327504  5951614043123 8 1    3024 6 1      C-13-H3C(O)CH3
  311593.0471  0.3441 -6.7951 3 1850.6871C88  595161404805823 1    805724 1      C-13-H3C(O)CH3
  311598.3997  0.0364 -6.4631 3  405.7328292  5951614043632 5 4    3533 3 4      C-13-H3C(O)CH3
  311611.1456  0.0054 -3.9373 3   76.6560280  5951614041712 5 2    1611 6 2      C-13-H3C(O)CH3
  311612.4126  0.0160 -6.3235 3  212.2590440  5951614042721 6 2    2718 9 2      C-13-H3C(O)CH3
  311619.1198  0.0223 -4.7340 3  253.8027616  59516140438 336 0    38 237 0      C-13-H3C(O)CH3
  311619.1198  0.0223 -4.7340 3  253.8027616  59516140438 236 0    38 137 0      C-13-H3C(O)CH3
  311619.1198  0.0223 -5.4316 3  253.8027616  59516140438 236 0    38 237 0      C-13-H3C(O)CH3
  311619.1198  0.0223 -5.4316 3  253.8027616  59516140438 336 0    38 137 0      C-13-H3C(O)CH3
  311619.4712  0.0113 -5.1506 3  277.0326504  5951614043123 9 2    3024 7 2      C-13-H3C(O)CH3
  311620.1821  0.1249 -5.6413 3  645.1416776  595161404483117 2    482820 2      C-13-H3C(O)CH3
  311642.1037  0.1241 -6.2240 3  933.1724428  5951614045352 2 3    5351 3 3      C-13-H3C(O)CH3
  311645.8352  0.1769 -6.6430 3 1657.3058636  595161404793940 4    793841 4      C-13-H3C(O)CH3
  311645.8726  0.1769 -6.6430 3 1657.3058636  595161404794040 4    793941 4      C-13-H3C(O)CH3
  311645.9047  0.1769 -6.6430 3 1657.3058636  595161404793940 3    793841 3      C-13-H3C(O)CH3
  311645.9421  0.1769 -6.6430 3 1657.3058636  595161404794040 3    793941 3      C-13-H3C(O)CH3
  311645.9980  0.0985 -5.9230 3  933.1463856  5951614045352 1 2    5351 2 2      C-13-H3C(O)CH3
  311657.7314  0.0120 -5.4511 3  276.9943252  5951614043123 9 3    3024 7 3      C-13-H3C(O)CH3
  311658.5678  0.0040 -4.6502 3   45.8275232  59516140414 8 7 2    13 5 8 2      C-13-H3C(O)CH3
  311658.9265  0.2502 -6.6233 3 1573.1574588  595161404735617 4    735518 4      C-13-H3C(O)CH3
  311660.5114  0.0150 -5.9028 3  425.8529648  595161404402120 1    392217 1      C-13-H3C(O)CH3
  311672.4964  0.0038 -4.6502 3   45.8288232  59516140414 8 7 1    13 5 8 1      C-13-H3C(O)CH3
  311677.3935  0.1923 -6.3419 3 1657.2967C72  595161404793940 1    793841 1      C-13-H3C(O)CH3
  311677.4327  0.1923 -6.3419 3 1657.2967C72  595161404794040 1    793941 1      C-13-H3C(O)CH3
  311679.4438  0.1837 -6.3420 3 1657.2999C72  595161404793940 2    793841 2      C-13-H3C(O)CH3
  311679.4747  0.1837 -6.3420 3 1657.2999C72  595161404794040 2    793941 2      C-13-H3C(O)CH3
  311686.2015  0.1895 -6.6231 3 1573.1091588  595161404735617 3    735518 3      C-13-H3C(O)CH3
  311691.6316  0.0142 -5.4497 3  277.0098252  5951614043123 8 4    3024 6 4      C-13-H3C(O)CH3
  311695.4580  0.3974 -6.7950 3 1850.7249C88  595161404805822 2    805723 2      C-13-H3C(O)CH3
  311699.2939  0.3295 -6.7949 3 1850.6928C88  595161404805823 2    805724 2      C-13-H3C(O)CH3
  311707.5088  0.0126 -5.9018 3  425.8750648  595161404402120 0    392217 0      C-13-H3C(O)CH3
  311708.1296  0.0221 -5.8655 3  376.5118568  5951614043530 5 1    3431 3 1      C-13-H3C(O)CH3
  311710.8751  0.1941 -6.3418 3 1657.2909C72  595161404793940 0    793841 0      C-13-H3C(O)CH3
  311710.9076  0.1941 -6.3418 3 1657.2909C72  595161404794040 0    793941 0      C-13-H3C(O)CH3
  311717.2525  0.0228 -5.8646 3  376.5414568  5951614043530 6 0    3431 3 0      C-13-H3C(O)CH3
  311717.2525  0.0228 -5.8646 3  376.5414568  5951614043530 5 0    3431 4 0      C-13-H3C(O)CH3
  311740.6571  0.0057 -3.9659 3   76.6540280  5951614041712 5 1    1611 6 1      C-13-H3C(O)CH3
  311743.9750  0.0160 -5.6233 3  236.0245472  5951614042920 9 1    2821 8 1      C-13-H3C(O)CH3
  311749.7555  0.1101 -6.2241 3  933.2001428  5951614045352 1 4    5351 2 4      C-13-H3C(O)CH3
  311758.6063  0.1741 -6.3963 3 1427.1205556  595161404695514 4    695415 4      C-13-H3C(O)CH3
  311778.2468  0.2220 -6.6229 3 1573.1060588  595161404735618 3    735519 3      C-13-H3C(O)CH3
  311790.3356  0.0170 -6.6912 3  171.0570196  5951614042420 5 4    2417 8 4      C-13-H3C(O)CH3
  311802.6092  0.0105 -5.1619 3  724.7787888  595161404551937 0    551838 0      C-13-H3C(O)CH3
  311802.6092  0.0105 -4.9227 3  724.7787888  595161404551937 0    551738 0      C-13-H3C(O)CH3
  311802.6092  0.0105 -4.7356 3  724.7787888  595161404551837 0    551838 0      C-13-H3C(O)CH3
  311802.6092  0.0105 -6.3408 3  724.7787888  595161404551837 0    551738 0      C-13-H3C(O)CH3
  311805.4130  0.1725 -6.6228 3 1573.0577588  595161404735618 4    735519 4      C-13-H3C(O)CH3
  311807.0709  0.0076 -5.2244 3   49.3686116  5951614041410 5 4    13 7 6 4      C-13-H3C(O)CH3
  311817.4499  0.4177 -6.7948 3 1850.7234C88  595161404805822 0    805723 0      C-13-H3C(O)CH3
  311817.4555  0.4177 -6.7948 3 1850.7234C88  595161404805823 0    805724 0      C-13-H3C(O)CH3
  311820.3056  0.1526 -6.2236 3  933.1644428  5951614045352 2 4    5351 3 4      C-13-H3C(O)CH3
  311828.4892  0.1361 -6.3961 3 1427.0704556  595161404695515 3    695416 3      C-13-H3C(O)CH3
  311831.0689  0.0189 -6.2017 3  425.8195324  595161404402120 4    392217 4      C-13-H3C(O)CH3
  311837.4908  0.0200 -6.2016 3  425.8193324  595161404402120 3    392217 3      C-13-H3C(O)CH3
  311850.0188  0.1915 -6.3218 3 1573.1390B76  595161404735617 1    735518 1      C-13-H3C(O)CH3
  311875.4661  0.0122 -5.5153 3  724.7635888  595161404551937 1    551738 1      C-13-H3C(O)CH3
  311875.4661  0.0122 -4.8014 3  724.7635888  595161404551937 1    551838 1      C-13-H3C(O)CH3
  311875.4661  0.0122 -5.5153 3  724.7635888  595161404551837 1    551838 1      C-13-H3C(O)CH3
  311875.4661  0.0122 -4.8014 3  724.7635888  595161404551837 1    551738 1      C-13-H3C(O)CH3
  311876.3369  0.0132 -6.5322 3  724.7632888  595161404551837 2    551838 2      C-13-H3C(O)CH3
  311876.3369  0.0132 -6.5322 3  724.7632888  595161404551937 2    551738 2      C-13-H3C(O)CH3
  311876.3369  0.0132 -4.7315 3  724.7632888  595161404551937 2    551838 2      C-13-H3C(O)CH3
  311876.3369  0.0132 -4.7315 3  724.7632888  595161404551837 2    551738 2      C-13-H3C(O)CH3
  311883.5181  0.1588 -6.3960 3 1427.0752556  595161404695514 3    695415 3      C-13-H3C(O)CH3
  311883.7741  0.0178 -5.8996 3  425.8416648  595161404402120 2    392217 2      C-13-H3C(O)CH3
  311886.6439  0.0118 -5.4590 3  240.9681244  595161404301714 3    291811 3      C-13-H3C(O)CH3
  311893.0484  0.0204 -6.6993 3  171.1489196  5951614042420 4 4    2417 7 4      C-13-H3C(O)CH3
  311895.6497  0.0128 -5.4505 3  276.9796252  5951614043123 9 4    3024 7 4      C-13-H3C(O)CH3
  311899.6434  0.0040 -4.6493 3   45.7798232  59516140414 8 7 0    13 5 8 0      C-13-H3C(O)CH3
  311902.6332  0.0096 -5.4586 3  240.9676244  595161404301714 4    291811 4      C-13-H3C(O)CH3
  311910.3826  0.2121 -6.3217 3 1573.1427B76  595161404735617 2    735518 2      C-13-H3C(O)CH3
  311928.2058  0.1240 -6.2236 3  933.1921428  5951614045352 1 3    5351 2 3      C-13-H3C(O)CH3
  311929.9841  0.0115 -5.4502 3  276.9950252  5951614043123 8 3    3024 6 3      C-13-H3C(O)CH3
  311937.6961  0.1526 -6.3215 3 1573.0944B76  595161404735618 2    735519 2      C-13-H3C(O)CH3
  311945.8452  0.1488 -6.0949 3 1427.1045B12  595161404695514 2    695415 2      C-13-H3C(O)CH3
  311949.2949  0.0127 -5.1965 3  724.7479444  595161404551837 3    551738 3      C-13-H3C(O)CH3
  311949.2949  0.0127 -5.5128 3  724.7479444  595161404551837 3    551838 3      C-13-H3C(O)CH3
  311949.2949  0.0127 -5.5128 3  724.7479444  595161404551937 3    551738 3      C-13-H3C(O)CH3
  311949.2949  0.0127 -5.1965 3  724.7479444  595161404551937 3    551838 3      C-13-H3C(O)CH3
  311949.4157  0.0128 -5.1395 3  724.7479444  595161404551837 4    551738 4      C-13-H3C(O)CH3
  311949.4157  0.0128 -5.6619 3  724.7479444  595161404551837 4    551838 4      C-13-H3C(O)CH3
  311949.4157  0.0128 -5.6619 3  724.7479444  595161404551937 4    551738 4      C-13-H3C(O)CH3
  311949.4157  0.0128 -5.1395 3  724.7479444  595161404551937 4    551838 4      C-13-H3C(O)CH3
  311953.1272  0.1436 -6.3958 3 1427.0252556  595161404695515 4    695416 4      C-13-H3C(O)CH3
  311966.0795  0.1317 -6.0948 3 1427.0982B12  595161404695514 1    695415 1      C-13-H3C(O)CH3
  311969.3223  0.1691 -6.3215 3 1573.0876B76  595161404735618 1    735519 1      C-13-H3C(O)CH3
  311970.9875  0.0084 -5.1581 3  240.9859488  595161404301714 1    291811 1      C-13-H3C(O)CH3
  311976.3148  0.0016 -4.0765 3  132.0260188 -595161404231013 3    221112 3      C-13-H3C(O)CH3
  311976.3148  0.0016 -4.0765 3  132.0260188 -595161404231013 4    221112 4      C-13-H3C(O)CH3
  311995.2951  0.0314 -5.3820 3  230.7775600  59516140437 236 0    37 037 0      C-13-H3C(O)CH3
  311995.2951  0.0314 -5.0769 3  230.7775600  59516140437 236 0    37 137 0      C-13-H3C(O)CH3
  311995.2951  0.0314 -5.0769 3  230.7775600  59516140437 136 0    37 037 0      C-13-H3C(O)CH3
  311995.2951  0.0314 -5.3820 3  230.7775600  59516140437 136 0    37 137 0      C-13-H3C(O)CH3
  312012.2853  0.0243 -6.1664 3  376.4750284  5951614043530 5 4    3431 3 4      C-13-H3C(O)CH3
  312015.6635  0.1111 -6.0946 3 1427.0545B12  595161404695515 2    695416 2      C-13-H3C(O)CH3
  312021.7241  0.0224 -5.8644 3  376.5046568  5951614043530 5 2    3431 3 2      C-13-H3C(O)CH3
  312032.6220  0.0245 -5.8640 3  376.4761568  5951614043530 6 1    3431 4 1      C-13-H3C(O)CH3
  312066.2078  0.0018 -3.7755 3  132.0183376 -595161404231013 1    221112 1      C-13-H3C(O)CH3
  312072.4368  0.0018 -3.7758 3  132.0153376 -595161404231013 2    221112 2      C-13-H3C(O)CH3
  312088.9964  0.0037 -5.6004 3  163.6432260  59516140432 032 4    31 131 4      C-13-H3C(O)CH3
  312088.9964  0.0037 -5.6004 3  163.6432260  59516140432 132 4    31 031 4      C-13-H3C(O)CH3
  312088.9996  0.0037 -6.0997 3  163.6432260  59516140432 132 3    31 131 3      C-13-H3C(O)CH3
  312088.9996  0.0037 -6.0997 3  163.6432260  59516140432 032 3    31 031 3      C-13-H3C(O)CH3
  312089.0270  0.0037 -3.6555 3  163.6432260 -59516140432 132 3    31 031 3      C-13-H3C(O)CH3
  312089.0270  0.0037 -3.6555 3  163.6432260 -59516140432 032 3    31 131 3      C-13-H3C(O)CH3
  312089.0270  0.0037 -3.6589 3  163.6432260 -59516140432 132 4    31 131 4      C-13-H3C(O)CH3
  312089.0270  0.0037 -3.6589 3  163.6432260 -59516140432 032 4    31 031 4      C-13-H3C(O)CH3
  312090.6970  0.1196 -6.0945 3 1427.0529B12  595161404695515 1    695416 1      C-13-H3C(O)CH3
  312094.3878  0.0043 -3.5489 3  163.5744520  59516140432 032 1    31 031 1      C-13-H3C(O)CH3
  312094.3878  0.0043 -3.5489 3  163.5744520  59516140432 132 1    31 131 1      C-13-H3C(O)CH3
  312094.4659  0.0043 -3.7924 3  163.5744520 -59516140432 132 1    31 031 1      C-13-H3C(O)CH3
  312094.4659  0.0041 -3.3528 3  163.5740520 -59516140432 132 2    31 031 2      C-13-H3C(O)CH3
  312094.4659  0.0041 -3.3528 3  163.5740520 -59516140432 032 2    31 131 2      C-13-H3C(O)CH3
  312094.4659  0.0043 -3.7924 3  163.5744520 -59516140432 032 1    31 131 1      C-13-H3C(O)CH3
  312099.8876  0.0037 -3.5959 3  163.5053520  59516140432 132 0    31 131 0      C-13-H3C(O)CH3
  312099.8876  0.0037 -3.5959 3  163.5053520  59516140432 032 0    31 031 0      C-13-H3C(O)CH3
  312099.9606  0.0037 -3.7203 3  163.5053520 -59516140432 132 0    31 031 0      C-13-H3C(O)CH3
  312099.9606  0.0037 -3.7203 3  163.5053520 -59516140432 032 0    31 131 0      C-13-H3C(O)CH3
  312101.3382  0.1645 -6.3213 3 1573.1244B76  595161404735618 0    735519 0      C-13-H3C(O)CH3
  312101.3382  0.1645 -6.3213 3 1573.1244B76  595161404735617 0    735518 0      C-13-H3C(O)CH3
  312112.9769  0.0016 -4.0761 3  132.0224188 -595161404231113 4    221012 4      C-13-H3C(O)CH3
  312113.7092  0.0016 -4.0761 3  132.0223188 -595161404231113 3    221012 3      C-13-H3C(O)CH3
  312133.1747  0.1021 -6.1681 3  908.3538840  5951614045252 1 0    5251 2 0      C-13-H3C(O)CH3
  312133.1747  0.1021 -6.1681 3  908.3538840  5951614045252 0 0    5251 1 0      C-13-H3C(O)CH3
  312143.7627  0.0246 -6.1648 3  376.4609284  5951614043530 5 3    3431 3 3      C-13-H3C(O)CH3
  312152.8633  0.1059 -6.0944 3 1427.0823B12  595161404695515 0    695416 0      C-13-H3C(O)CH3
  312152.8633  0.1059 -6.0944 3 1427.0823B12  595161404695514 0    695415 0      C-13-H3C(O)CH3
  312154.5881  0.0228 -5.8628 3  376.4904568  5951614043530 6 2    3431 4 2      C-13-H3C(O)CH3
  312162.1447  0.0017 -3.7758 3  132.0076376 -595161404231013 0    221112 0      C-13-H3C(O)CH3
  312167.7078  0.0850 -5.7391 3 1102.2033952  5951614045953 6 2    5952 7 2      C-13-H3C(O)CH3
  312195.9736  0.0302 -5.2885 3 1076.0688A48  595161404652838 0    652739 0      C-13-H3C(O)CH3
  312195.9736  0.0302 -5.2885 3 1076.0688A48  595161404652738 0    652639 0      C-13-H3C(O)CH3
  312197.9330  0.1080 -5.9331 3  645.1196388  595161404483117 3    482820 3      C-13-H3C(O)CH3
  312198.7517  0.0081 -5.1520 3  240.9727488  595161404301714 2    291811 2      C-13-H3C(O)CH3
  312203.9202  0.0018 -3.7750 3  132.0146376 -595161404231113 1    221012 1      C-13-H3C(O)CH3
  312209.6096  0.0788 -5.7391 3 1102.1869952  5951614045953 7 0    5952 8 0      C-13-H3C(O)CH3
  312209.6096  0.0788 -5.7391 3 1102.1869952  5951614045953 6 0    5952 7 0      C-13-H3C(O)CH3
  312213.1975  0.0320 -5.2884 3 1076.0834A48  595161404652838 1    652739 1      C-13-H3C(O)CH3
  312213.1975  0.0320 -5.2885 3 1076.0834A48  595161404652738 1    652639 1      C-13-H3C(O)CH3
  312214.5345  0.0018 -3.7753 3  132.0115376 -595161404231113 2    221012 2      C-13-H3C(O)CH3
  312216.4692  0.0031 -6.7434 3   84.1530148  5951614041811 7 4    1710 7 4      C-13-H3C(O)CH3
  312217.7100  0.0376 -5.2908 3 1076.0846A48  595161404652838 2    652739 2      C-13-H3C(O)CH3
  312217.7100  0.0376 -5.2907 3 1076.0846A48  595161404652738 2    652639 2      C-13-H3C(O)CH3
  312223.6895  0.1041 -6.1682 3  908.4147840  5951614045252 0 1    5251 1 1      C-13-H3C(O)CH3
  312234.9945  0.0375 -5.5894 3 1076.0992524  595161404652738 3    652639 3      C-13-H3C(O)CH3
  312234.9945  0.0375 -5.5895 3 1076.0992524  595161404652838 3    652739 3      C-13-H3C(O)CH3
  312235.0776  0.0376 -5.5894 3 1076.0992524  595161404652738 4    652639 4      C-13-H3C(O)CH3
  312235.0776  0.0376 -5.5894 3 1076.0992524  595161404652838 4    652739 4      C-13-H3C(O)CH3
  312247.2449  0.0147 -6.4111 3  171.1416392  5951614042420 4 1    2417 7 1      C-13-H3C(O)CH3
  312254.4592  0.0862 -6.0402 3 1102.2185476  5951614045953 7 3    5952 7 3      C-13-H3C(O)CH3
  312254.4856  0.0175 -6.8192 3  171.0882196  5951614042420 5 3    2417 8 3      C-13-H3C(O)CH3
  312259.8062  0.1023 -6.0401 3 1102.2311476  5951614045953 6 4    5952 7 4      C-13-H3C(O)CH3
  312272.3051  0.0065 -5.1523 3  240.9909488  595161404301714 0    291811 0      C-13-H3C(O)CH3
  312275.5843  0.0141 -5.1591 3   78.7981280  5951614041713 5 1    1612 4 1      C-13-H3C(O)CH3
  312290.0277  0.0050 -5.6672 3   34.6002200  59516140412 9 3 0    11 6 6 0      C-13-H3C(O)CH3
  312295.8863  0.0723 -5.7391 3 1102.2022952  5951614045953 7 1    5952 8 1      C-13-H3C(O)CH3
  312302.2128  0.0797 -5.7390 3 1102.2149952  5951614045953 6 1    5952 7 1      C-13-H3C(O)CH3
  312304.7174  0.0017 -3.7753 3  132.0038376 -595161404231113 0    221012 0      C-13-H3C(O)CH3
  312313.5465  0.0054 -5.7568 3   34.6528200  59516140412 9 3 2    11 6 6 2      C-13-H3C(O)CH3
  312322.4967  0.3044 -6.7775 3 1888.4356D52  595161404844341 1    844242 1      C-13-H3C(O)CH3
  312323.0183  0.3045 -6.7775 3 1888.4357D52  595161404844441 1    844342 1      C-13-H3C(O)CH3
  312324.3360  0.0053 -5.7701 3   34.6539200  59516140412 9 3 1    11 6 6 1      C-13-H3C(O)CH3
  312324.4141  0.2953 -6.7776 3 1888.4381D52  595161404844341 2    844242 2      C-13-H3C(O)CH3
  312324.8405  0.2952 -6.7776 3 1888.4381D52  595161404844441 2    844342 2      C-13-H3C(O)CH3
  312328.5268  0.0754 -5.7389 3 1102.1872952  5951614045953 7 2    5952 8 2      C-13-H3C(O)CH3
  312334.8603  0.0248 -6.1649 3  376.4394284  5951614043530 6 3    3431 4 3      C-13-H3C(O)CH3
  312335.2332  0.0280 -6.1084 3  235.9902236  5951614042920 9 4    2821 8 4      C-13-H3C(O)CH3
  312345.4024  0.3064 -6.7774 3 1888.4393D52  595161404844341 0    844242 0      C-13-H3C(O)CH3
  312345.8597  0.3066 -6.7774 3 1888.4393D52  595161404844441 0    844342 0      C-13-H3C(O)CH3
  312355.5683  0.0033 -6.9490 3   84.1232296  5951614041811 7 1    1710 7 1      C-13-H3C(O)CH3
  312415.4861  0.0899 -6.0400 3 1102.2023476  5951614045953 7 4    5952 8 4      C-13-H3C(O)CH3
  312421.4260  0.0878 -6.0399 3 1102.2150476  5951614045953 6 3    5952 8 3      C-13-H3C(O)CH3
  312437.2783  0.1350 -6.1675 3  908.3723840  5951614045252 1 2    5251 2 2      C-13-H3C(O)CH3
  312441.8017  0.0108 -6.9516 3  134.9917180  5951614042216 6 3    221111 3      C-13-H3C(O)CH3
  312444.9194  0.1208 -6.1676 3  908.4049840  5951614045252 1 1    5251 2 1      C-13-H3C(O)CH3
  312465.9258  0.0285 -6.1633 3  376.4251284  5951614043530 6 4    3431 4 4      C-13-H3C(O)CH3
  312475.5951  0.0016 -3.9986 3  138.7773196 -59516140424 915 3    231014 3      C-13-H3C(O)CH3
  312475.5951  0.0017 -3.9986 3  138.7774196 -59516140424 915 4    231014 4      C-13-H3C(O)CH3
  312477.6384  0.0016 -3.9986 3  138.7773196 -595161404241015 3    23 914 3      C-13-H3C(O)CH3
  312477.6384  0.0017 -3.9986 3  138.7773196 -595161404241015 4    23 914 4      C-13-H3C(O)CH3
  312499.7215  0.0140 -6.4069 3  171.0847392  5951614042420 5 1    2417 8 1      C-13-H3C(O)CH3
  312507.9136  0.0115 -4.4371 3   76.6675140  5951614041712 5 4    1611 6 4      C-13-H3C(O)CH3
  312512.2352  0.0095 -4.9911 3  691.7722872  595161404541837 0    541638 0      C-13-H3C(O)CH3
  312512.2352  0.0095 -4.6785 3  691.7722872  595161404541737 0    541738 0      C-13-H3C(O)CH3
  312512.2352  0.0095 -4.9663 3  691.7722872  595161404541837 0    541738 0      C-13-H3C(O)CH3
  312512.4010  0.1130 -6.1677 3  908.4086840  5951614045252 0 2    5251 1 2      C-13-H3C(O)CH3
  312529.4740  0.1395 -6.4687 3  908.4332420  5951614045252 1 3    5251 2 3      C-13-H3C(O)CH3
  312554.9525  0.0019 -3.6975 3  138.7699392 -59516140424 915 1    231014 1      C-13-H3C(O)CH3
  312557.0109  0.0019 -3.6975 3  138.7699392 -595161404241015 1    23 914 1      C-13-H3C(O)CH3
  312559.1924  0.0019 -3.6977 3  138.7678392 -59516140424 915 2    231014 2      C-13-H3C(O)CH3
  312561.3031  0.0019 -3.6977 3  138.7678392 -595161404241015 2    23 914 2      C-13-H3C(O)CH3
  312567.0267  0.1325 -5.9635 3  645.1199388  595161404483117 4    482820 4      C-13-H3C(O)CH3
  312583.7914  0.0112 -4.7472 3  691.7534872  595161404541837 1    541738 1      C-13-H3C(O)CH3
  312583.7914  0.0112 -4.7472 3  691.7534872  595161404541737 1    541638 1      C-13-H3C(O)CH3
  312583.7914  0.0112 -5.5041 3  691.7534872  595161404541737 1    541738 1      C-13-H3C(O)CH3
  312583.7914  0.0112 -5.5041 3  691.7534872  595161404541837 1    541638 1      C-13-H3C(O)CH3
  312584.2265  0.0118 -5.0189 3  691.7530872  595161404541837 2    541638 2      C-13-H3C(O)CH3
  312584.2265  0.0118 -4.9411 3  691.7530872  595161404541737 2    541638 2      C-13-H3C(O)CH3
  312584.2265  0.0118 -4.9411 3  691.7530872  595161404541837 2    541738 2      C-13-H3C(O)CH3
  312584.2265  0.0118 -5.0189 3  691.7530872  595161404541737 2    541738 2      C-13-H3C(O)CH3
  312599.5499  0.0139 -5.0524 3   78.7971280  5951614041713 5 2    1612 4 2      C-13-H3C(O)CH3
  312605.0746  0.1209 -6.4688 3  908.4697420  5951614045252 0 4    5251 1 4      C-13-H3C(O)CH3
  312611.4554  0.0144 -6.4251 3  171.0954392  5951614042420 5 2    2417 8 2      C-13-H3C(O)CH3
  312638.3641  0.0017 -3.6976 3  138.7605392 -59516140424 915 0    231014 0      C-13-H3C(O)CH3
  312638.8045  0.1114 -6.1735 3 1258.4406516  595161404645410 4    645311 4      C-13-H3C(O)CH3
  312640.4450  0.0017 -3.6976 3  138.7604392 -595161404241015 0    23 914 0      C-13-H3C(O)CH3
  312655.8817  0.0118 -5.0365 3  691.7342436  595161404541737 3    541638 3      C-13-H3C(O)CH3
  312655.8817  0.0118 -5.0365 3  691.7342436  595161404541837 3    541738 3      C-13-H3C(O)CH3
  312655.8817  0.0118 -5.8768 3  691.7342436  595161404541837 3    541638 3      C-13-H3C(O)CH3
  312655.8817  0.0118 -5.8768 3  691.7342436  595161404541737 3    541738 3      C-13-H3C(O)CH3
  312655.9801  0.0118 -4.9805 3  691.7341436  595161404541837 4    541638 4      C-13-H3C(O)CH3
  312655.9801  0.0118 -4.9805 3  691.7341436  595161404541737 4    541738 4      C-13-H3C(O)CH3
  312668.6837  0.0139 -6.4295 3  171.1403392  5951614042420 4 2    2417 7 2      C-13-H3C(O)CH3
  312677.1069  0.0059 -5.1458 3   49.3674116  5951614041410 5 3    13 7 6 3      C-13-H3C(O)CH3
  312698.8495  0.1004 -5.8723 3 1258.4213A32  595161404645410 2    645311 2      C-13-H3C(O)CH3
  312707.0623  0.0061 -6.1534 3   34.7065100  59516140412 9 3 4    11 6 6 4      C-13-H3C(O)CH3
  312719.7751  0.0071 -6.8283 3   26.3260 92  59516140411 7 4 3    10 4 7 3      C-13-H3C(O)CH3
  312725.8344  0.1029 -6.1734 3 1258.4099516  595161404645410 3    645311 3      C-13-H3C(O)CH3
  312751.9070  0.1732 -6.4681 3  908.4234420  5951614045252 1 4    5251 2 4      C-13-H3C(O)CH3
  312771.4745  0.1018 -6.1733 3 1258.4006516  595161404645411 3    645312 3      C-13-H3C(O)CH3
  312777.0865  0.0068 -4.8800 3   49.3223232  5951614041410 5 1    13 7 6 1      C-13-H3C(O)CH3
  312795.2448  0.0153 -6.3871 3  171.1405392  5951614042420 4 0    2417 7 0      C-13-H3C(O)CH3
  312801.1595  0.0086 -6.8308 3   26.3260 92  59516140411 7 4 4    10 4 7 4      C-13-H3C(O)CH3
  312807.0320  0.0932 -5.8722 3 1258.4202A32  595161404645410 1    645311 1      C-13-H3C(O)CH3
  312827.4561  0.1388 -6.4683 3  908.4598420  5951614045252 0 3    5251 1 3      C-13-H3C(O)CH3
  312831.1406  0.0916 -5.8721 3 1258.3812A32  595161404645411 2    645312 2      C-13-H3C(O)CH3
  312858.0757  0.1144 -6.1731 3 1258.3699516  595161404645411 4    645312 4      C-13-H3C(O)CH3
  312866.2560  0.0899 -5.8720 3 1258.4009A32  595161404645410 0    645311 0      C-13-H3C(O)CH3
  312866.2560  0.0899 -5.8720 3 1258.4009A32  595161404645411 0    645312 0      C-13-H3C(O)CH3
  312893.3102  0.0870 -5.8720 3 1258.3895A32  595161404645411 1    645312 1      C-13-H3C(O)CH3
  312899.6959  0.0071 -6.5189 3   26.2649184  59516140411 7 4 2    10 4 7 2      C-13-H3C(O)CH3
  312983.0212  0.0070 -6.5225 3   26.2657184  59516140411 7 4 1    10 4 7 1      C-13-H3C(O)CH3
  313016.7064  0.0077 -4.8760 3   49.3178232  5951614041410 5 2    13 7 6 2      C-13-H3C(O)CH3
  313036.7749  0.0032 -3.8387 3   76.2995132  5951614041615 1 4    1514 1 4      C-13-H3C(O)CH3
  313054.3492  0.0034 -3.8386 3   76.2195132 -5951614041615 1 3    1514 1 3      C-13-H3C(O)CH3
  313089.9958  0.0831 -6.0783 3 1352.8911580  595161404723339 4    723240 4      C-13-H3C(O)CH3
  313089.9961  0.0831 -6.0783 3 1352.8911580  595161404723439 4    723340 4      C-13-H3C(O)CH3
  313090.0101  0.0831 -6.0783 3 1352.8910580  595161404723339 3    723240 3      C-13-H3C(O)CH3
  313090.0104  0.0831 -6.0783 3 1352.8910580  595161404723439 3    723340 3      C-13-H3C(O)CH3
  313094.8886  0.0036 -3.8384 3   76.2164132  5951614041615 2 3    1514 2 3      C-13-H3C(O)CH3
  313110.2708  0.0837 -5.7772 3 1352.8716B60  595161404723339 1    723240 1      C-13-H3C(O)CH3
  313110.2711  0.0837 -5.7772 3 1352.8716B60  595161404723439 1    723340 1      C-13-H3C(O)CH3
  313112.6018  0.0036 -3.8384 3   76.1366132  5951614041615 2 4    1514 2 4      C-13-H3C(O)CH3
  313114.3871  0.0838 -5.7774 3 1352.8742B60  595161404723339 2    723240 2      C-13-H3C(O)CH3
  313114.3873  0.0838 -5.7774 3 1352.8742B60  595161404723439 2    723340 2      C-13-H3C(O)CH3
  313123.2243  0.0068 -6.5128 3   26.2047184  59516140411 7 4 0    10 4 7 0      C-13-H3C(O)CH3
  313134.2226  0.0186 -5.6116 3  348.5417552  5951614043428 7 0    3329 4 0      C-13-H3C(O)CH3
  313134.2255  0.0186 -5.6116 3  348.5417552  5951614043428 6 0    3329 5 0      C-13-H3C(O)CH3
  313134.6538  0.0842 -5.7771 3 1352.8548B60  595161404723339 0    723240 0      C-13-H3C(O)CH3
  313134.6540  0.0842 -5.7771 3 1352.8548B60  595161404723439 0    723340 0      C-13-H3C(O)CH3
  313183.5769  0.3223 -6.8185 3 1690.5494612  595161404765719 4    765620 4      C-13-H3C(O)CH3
  313186.9893  0.0086 -4.6327 3  659.3456856  595161404531637 0    531538 0      C-13-H3C(O)CH3
  313186.9893  0.0086 -4.8810 3  659.3456856  595161404531737 0    531538 0      C-13-H3C(O)CH3
  313186.9893  0.0086 -4.9937 3  659.3456856  595161404531737 0    531638 0      C-13-H3C(O)CH3
  313193.9152  0.0072 -6.8631 3   75.5894296  59516140418 711 2    18 414 2      C-13-H3C(O)CH3
  313198.1549  0.2520 -6.8183 3 1690.5065612  595161404765719 3    765620 3      C-13-H3C(O)CH3
  313207.9591  0.0072 -6.8631 3   75.5894296  59516140418 811 2    18 514 2      C-13-H3C(O)CH3
  313222.5712  0.0071 -6.8638 3   75.5901296  59516140418 711 1    18 414 1      C-13-H3C(O)CH3
  313227.9275  0.0183 -5.6121 3  348.5015552  5951614043428 6 1    3329 4 1      C-13-H3C(O)CH3
  313236.1679  0.0071 -6.8637 3   75.5901296  59516140418 811 1    18 514 1      C-13-H3C(O)CH3
  313254.5171  0.0103 -5.3699 3  659.3235856  595161404531637 1    531638 1      C-13-H3C(O)CH3
  313254.5171  0.0103 -4.7202 3  659.3235856  595161404531637 1    531538 1      C-13-H3C(O)CH3
  313254.5171  0.0103 -5.3699 3  659.3235856  595161404531737 1    531538 1      C-13-H3C(O)CH3
  313254.5171  0.0103 -4.7202 3  659.3235856  595161404531737 1    531638 1      C-13-H3C(O)CH3
  313254.5455  0.0106 -5.2122 3  659.3230856  595161404531637 2    531638 2      C-13-H3C(O)CH3
  313254.5455  0.0106 -4.7650 3  659.3230856  595161404531737 2    531638 2      C-13-H3C(O)CH3
  313254.5455  0.0106 -4.7650 3  659.3230856  595161404531637 2    531538 2      C-13-H3C(O)CH3
  313254.5455  0.0106 -5.2122 3  659.3230856  595161404531737 2    531538 2      C-13-H3C(O)CH3
  313263.2452  0.0018 -3.9378 3  144.9218204 -59516140425 817 4    24 916 4      C-13-H3C(O)CH3
  313263.2452  0.0017 -3.9378 3  144.9218204 -59516140425 917 3    24 816 3      C-13-H3C(O)CH3
  313263.2452  0.0018 -3.9378 3  144.9218204 -59516140425 917 4    24 816 4      C-13-H3C(O)CH3
  313263.2452  0.0017 -3.9378 3  144.9218204 -59516140425 817 3    24 916 3      C-13-H3C(O)CH3
  313275.5135  0.0030 -3.5369 3   76.2558264 -5951614041615 1 1    1514 1 1      C-13-H3C(O)CH3
  313292.9572  0.2820 -6.8182 3 1690.4976612  595161404765720 3    765621 3      C-13-H3C(O)CH3
  313307.6083  0.2084 -6.8180 3 1690.4547612  595161404765720 4    765621 4      C-13-H3C(O)CH3
  313308.0471  0.0260 -5.4242 3 1037.2923A32  595161404642738 0    642639 0      C-13-H3C(O)CH3
  313308.0471  0.0260 -5.4165 3 1037.2923A32  595161404642638 0    642539 0      C-13-H3C(O)CH3
  313308.0471  0.0260 -5.6600 3 1037.2923A32  595161404642638 0    642639 0      C-13-H3C(O)CH3
  313308.0471  0.0260 -5.6468 3 1037.2923A32  595161404642738 0    642539 0      C-13-H3C(O)CH3
  313322.1674  0.0111 -4.9472 3  659.3008428  595161404531737 3    531638 3      C-13-H3C(O)CH3
  313322.1674  0.0111 -4.9472 3  659.3008428  595161404531637 3    531538 3      C-13-H3C(O)CH3
  313322.1674  0.0111 -6.4288 3  659.3008428  595161404531637 3    531638 3      C-13-H3C(O)CH3
  313322.1674  0.0111 -6.4288 3  659.3008428  595161404531737 3    531538 3      C-13-H3C(O)CH3
  313322.2356  0.0111 -5.3697 3  659.3008428  595161404531637 4    531538 4      C-13-H3C(O)CH3
  313322.2356  0.0111 -5.1310 3  659.3008428  595161404531637 4    531638 4      C-13-H3C(O)CH3
  313322.2356  0.0111 -5.3697 3  659.3008428  595161404531737 4    531638 4      C-13-H3C(O)CH3
  313322.2356  0.0111 -5.1310 3  659.3008428  595161404531737 4    531538 4      C-13-H3C(O)CH3
  313324.5705  0.0031 -3.5367 3   76.2648264 -5951614041615 1 2    1514 1 2      C-13-H3C(O)CH3
  313332.9822  0.0033 -3.5366 3   76.1729264 -5951614041615 2 1    1514 2 1      C-13-H3C(O)CH3
  313333.7380  0.0281 -5.6559 3 1037.3051A32  595161404642738 1    642639 1      C-13-H3C(O)CH3
  313333.7380  0.0281 -5.2317 3 1037.3051A32  595161404642638 1    642539 1      C-13-H3C(O)CH3
  313333.7380  0.0281 -5.4186 3 1037.3051A32  595161404642638 1    642639 1      C-13-H3C(O)CH3
  313333.7380  0.0281 -6.8051 3 1037.3051A32  595161404642738 1    642539 1      C-13-H3C(O)CH3
  313334.8990  0.0020 -3.6367 3  144.9135408 -59516140425 917 1    24 816 1      C-13-H3C(O)CH3
  313334.8990  0.0020 -3.6367 3  144.9135408 -59516140425 817 1    24 916 1      C-13-H3C(O)CH3
  313337.3765  0.0020 -3.6368 3  144.9120408 -59516140425 817 2    24 916 2      C-13-H3C(O)CH3
  313337.3765  0.0020 -3.6368 3  144.9120408 -59516140425 917 2    24 816 2      C-13-H3C(O)CH3
  313338.0460  0.0337 -5.2571 3 1037.3060A32  595161404642638 2    642539 2      C-13-H3C(O)CH3
  313338.0460  0.0337 -5.2524 3 1037.3060A32  595161404642638 2    642639 2      C-13-H3C(O)CH3
  313338.0460  0.0337 -6.3685 3 1037.3060A32  595161404642738 2    642639 2      C-13-H3C(O)CH3
  313338.0460  0.0337 -6.3111 3 1037.3060A32  595161404642738 2    642539 2      C-13-H3C(O)CH3
  313341.4476  0.0033 -3.5366 3   76.1849264 -5951614041615 2 2    1514 2 2      C-13-H3C(O)CH3
  313349.3399  0.0794 -5.7434 3 1074.4937936  5951614045853 5 0    5852 6 0      C-13-H3C(O)CH3
  313349.3399  0.0794 -5.7434 3 1074.4937936  5951614045853 6 0    5852 7 0      C-13-H3C(O)CH3
  313351.0326  0.2616 -6.5171 3 1690.5378C24  595161404765719 1    765620 1      C-13-H3C(O)CH3
  313356.1362  0.0896 -5.7434 3 1074.5092936  5951614045853 5 2    5852 6 2      C-13-H3C(O)CH3
  313363.8046  0.0331 -5.9624 3 1037.3187516  595161404642738 3    642639 3      C-13-H3C(O)CH3
  313363.8046  0.0331 -5.7165 3 1037.3187516  595161404642738 3    642539 3      C-13-H3C(O)CH3
  313363.8046  0.0331 -5.9626 3 1037.3187516  595161404642638 3    642539 3      C-13-H3C(O)CH3
  313363.8046  0.0331 -5.7164 3 1037.3187516  595161404642638 3    642639 3      C-13-H3C(O)CH3
  313363.9035  0.0332 -5.5267 3 1037.3187516  595161404642638 4    642539 4      C-13-H3C(O)CH3
  313363.9035  0.0332 -5.5267 3 1037.3187516  595161404642738 4    642639 4      C-13-H3C(O)CH3
  313368.6640  0.0078 -6.5905 3  134.9748360  5951614042216 6 0    221111 0      C-13-H3C(O)CH3
  313408.7780  0.0018 -3.6367 3  144.9038408 -59516140425 817 0    24 916 0      C-13-H3C(O)CH3
  313408.7780  0.0018 -3.6367 3  144.9038408 -59516140425 917 0    24 816 0      C-13-H3C(O)CH3
  313418.5646  0.0113 -6.8088 3  134.9856360  5951614042216 6 1    221111 1      C-13-H3C(O)CH3
  313442.3076  0.0749 -5.7434 3 1074.5156936  5951614045853 6 1    5852 7 1      C-13-H3C(O)CH3
  313449.8151  0.0923 -6.0444 3 1074.5310468  5951614045853 6 3    5852 7 3      C-13-H3C(O)CH3
  313460.1310  0.2767 -6.5169 3 1690.5373C24  595161404765719 2    765620 2      C-13-H3C(O)CH3
  313460.5711  0.2251 -6.5168 3 1690.4860C24  595161404765720 1    765621 1      C-13-H3C(O)CH3
  313474.4959  0.0193 -5.6107 3  348.4815552  5951614043428 7 1    3329 5 1      C-13-H3C(O)CH3
  313474.8063  0.2060 -6.5168 3 1690.4944C24  595161404765720 2    765621 2      C-13-H3C(O)CH3
  313480.9988  0.0832 -5.7433 3 1074.5247936  5951614045853 5 1    5852 6 1      C-13-H3C(O)CH3
  313486.2895  0.0181 -5.6099 3  348.4997552  5951614043428 7 2    3329 5 2      C-13-H3C(O)CH3
  313487.6139  0.1111 -6.0443 3 1074.5400468  5951614045853 5 4    5852 6 4      C-13-H3C(O)CH3
  313492.8890  0.0186 -5.6109 3  348.5032552  5951614043428 6 2    3329 4 2      C-13-H3C(O)CH3
  313513.7836  0.0768 -5.7432 3 1074.5004936  5951614045853 6 2    5852 7 2      C-13-H3C(O)CH3
  313545.7079  0.0114 -6.7912 3  134.9809360  5951614042216 6 2    221111 2      C-13-H3C(O)CH3
  313552.0221  0.0151 -6.3854 3  171.1153392  5951614042420 5 0    2417 8 0      C-13-H3C(O)CH3
  313562.4271  0.0032 -3.5359 3   76.2212264 -5951614041615 2 0    1514 1 0      C-13-H3C(O)CH3
  313562.4271  0.0032 -3.5359 3   76.2212264 -5951614041615 1 0    1514 2 0      C-13-H3C(O)CH3
  313577.0812  0.0200 -5.9114 3  348.4595276  5951614043428 6 3    3329 4 3      C-13-H3C(O)CH3
  313584.8129  0.0208 -5.9125 3  348.4631276  5951614043428 6 4    3329 4 4      C-13-H3C(O)CH3
  313589.5653  0.0068 -6.8593 3   75.5484296  59516140418 711 0    18 414 0      C-13-H3C(O)CH3
  313603.7572  0.0068 -6.8593 3   75.5484296  59516140418 811 0    18 514 0      C-13-H3C(O)CH3
  313607.6713  0.0920 -6.0443 3 1074.5222468  5951614045853 6 4    5852 7 4      C-13-H3C(O)CH3
  313627.6175  0.2404 -6.5165 3 1690.5258C24  595161404765719 0    765620 0      C-13-H3C(O)CH3
  313627.6177  0.2404 -6.5165 3 1690.5258C24  595161404765720 0    765621 0      C-13-H3C(O)CH3
  313630.0556  0.0060 -4.8498 3   49.2722232  5951614041410 5 0    13 7 6 0      C-13-H3C(O)CH3
  313633.3228  0.1573 -6.5520 3 1610.6228628  595161404783840 4    783741 4      C-13-H3C(O)CH3
  313633.3365  0.1573 -6.5520 3 1610.6228628  595161404783940 4    783841 4      C-13-H3C(O)CH3
  313633.3876  0.1573 -6.5520 3 1610.6228628  595161404783840 3    783741 3      C-13-H3C(O)CH3
  313633.4013  0.1573 -6.5520 3 1610.6228628  595161404783940 3    783841 3      C-13-H3C(O)CH3
  313640.5310  0.1573 -6.3522 3 1394.4426548  595161404685513 4    685414 4      C-13-H3C(O)CH3
  313646.1142  0.0928 -6.0441 3 1074.5312468  5951614045853 5 3    5852 6 3      C-13-H3C(O)CH3
  313665.5681  0.1714 -6.2508 3 1610.6116C56  595161404783840 1    783741 1      C-13-H3C(O)CH3
  313665.5825  0.1714 -6.2508 3 1610.6116C56  595161404783940 1    783841 1      C-13-H3C(O)CH3
  313667.6785  0.1635 -6.2510 3 1610.6148C56  595161404783840 2    783741 2      C-13-H3C(O)CH3
  313667.6896  0.1635 -6.2510 3 1610.6148C56  595161404783940 2    783841 2      C-13-H3C(O)CH3
  313699.8104  0.1731 -6.2507 3 1610.6037C56  595161404783840 0    783741 0      C-13-H3C(O)CH3
  313699.8221  0.1731 -6.2507 3 1610.6037C56  595161404783940 0    783841 0      C-13-H3C(O)CH3
  313732.1637  0.1291 -6.3520 3 1394.3938548  595161404685514 3    685415 3      C-13-H3C(O)CH3
  313738.5525  0.0115 -4.2168 3   78.7917140  5951614041713 5 3    1612 4 3      C-13-H3C(O)CH3
  313765.5361  0.1462 -6.3519 3 1394.4005548  595161404685513 3    685414 3      C-13-H3C(O)CH3
  313798.7616  0.1374 -6.0508 3 1394.4275A96  595161404685513 2    685414 2      C-13-H3C(O)CH3
  313823.1195  0.0223 -5.9101 3  348.4394276  5951614043428 7 4    3329 5 4      C-13-H3C(O)CH3
  313829.2431  0.0078 -4.7437 3  627.4998840  595161404521637 0    521438 0      C-13-H3C(O)CH3
  313829.2431  0.0078 -5.3939 3  627.4998840  595161404521537 0    521438 0      C-13-H3C(O)CH3
  313829.2431  0.0078 -5.1180 3  627.4998840  595161404521637 0    521538 0      C-13-H3C(O)CH3
  313829.2431  0.0078 -4.6651 3  627.4998840  595161404521537 0    521538 0      C-13-H3C(O)CH3
  313829.8814  0.0197 -5.9111 3  348.4431276  5951614043428 7 3    3329 5 3      C-13-H3C(O)CH3
  313845.4973  0.1224 -6.0508 3 1394.4216A96  595161404685513 1    685414 1      C-13-H3C(O)CH3
  313856.8496  0.1418 -6.3517 3 1394.3517548  595161404685514 4    685415 4      C-13-H3C(O)CH3
  313866.4092  0.2300 -6.5693 3 1538.4659580  595161404725616 4    725517 4      C-13-H3C(O)CH3
  313889.2855  0.0096 -4.7925 3  627.4743840  595161404521637 2    521438 2      C-13-H3C(O)CH3
  313889.2855  0.0096 -4.7925 3  627.4743840  595161404521537 2    521538 2      C-13-H3C(O)CH3
  313889.3683  0.0096 -5.0199 3  627.4743840 -595161404521537 2    521438 2      C-13-H3C(O)CH3
  313889.3683  0.0096 -5.0199 3  627.4743840 -595161404521637 2    521538 2      C-13-H3C(O)CH3
  313889.6255  0.0096 -4.5910 3  627.4748840  595161404521537 1    521538 1      C-13-H3C(O)CH3
  313889.6255  0.0096 -4.5910 3  627.4748840  595161404521637 1    521438 1      C-13-H3C(O)CH3
  313890.2689  0.1086 -6.0506 3 1394.3787A96  595161404685514 2    685415 2      C-13-H3C(O)CH3
  313914.1861  0.1736 -6.5691 3 1538.4167580  595161404725617 3    725517 3      C-13-H3C(O)CH3
  313949.7536  0.0104 -5.0617 3  627.4492420  595161404521537 3    521438 3      C-13-H3C(O)CH3
  313949.7536  0.0104 -5.0617 3  627.4492420  595161404521637 3    521538 3      C-13-H3C(O)CH3
  313949.7536  0.0104 -5.3798 3  627.4492420  595161404521537 3    521538 3      C-13-H3C(O)CH3
  313949.7536  0.0104 -5.3798 3  627.4492420  595161404521637 3    521438 3      C-13-H3C(O)CH3
  313949.7836  0.0104 -4.8944 3  627.4492420  595161404521537 4    521538 4      C-13-H3C(O)CH3
  313949.7836  0.0104 -4.8944 3  627.4492420  595161404521637 4    521438 4      C-13-H3C(O)CH3
  313970.0959  0.1127 -6.0505 3 1394.3796A96  595161404685514 1    685415 1      C-13-H3C(O)CH3
  313999.1260  0.2072 -6.5689 3 1538.4165580  595161404725616 3    725518 3      C-13-H3C(O)CH3
  314003.1658  0.1026 -6.0504 3 1394.4066A96  595161404685514 0    685415 0      C-13-H3C(O)CH3
  314003.1658  0.1026 -6.0504 3 1394.4066A96  595161404685513 0    685414 0      C-13-H3C(O)CH3
  314046.7346  0.1691 -6.5687 3 1538.3673580  595161404725617 4    725518 4      C-13-H3C(O)CH3
  314067.1216  0.1729 -6.2678 3 1538.4478B60  595161404725616 1    725517 1      C-13-H3C(O)CH3
  314099.5015  0.1953 -6.2677 3 1538.4531B60  595161404725616 2    725517 2      C-13-H3C(O)CH3
  314116.8713  0.0043 -4.4549 3   78.7917140  5951614041713 4 3    1612 4 3      C-13-H3C(O)CH3
  314147.2851  0.1394 -6.2676 3 1538.4039B60  595161404725617 2    725518 2      C-13-H3C(O)CH3
  314157.9841  0.1064 -6.1467 3 1228.2698508  5951614046354 9 4    635310 4      C-13-H3C(O)CH3
  314180.2870  0.0970 -5.8455 3 1228.2496A16  5951614046354 9 2    635310 2      C-13-H3C(O)CH3
  314198.5728  0.0018 -3.8867 3  150.4892212 -59516140426 719 4    25 818 4      C-13-H3C(O)CH3
  314198.5728  0.0018 -3.8867 3  150.4892212 -59516140426 819 3    25 718 3      C-13-H3C(O)CH3
  314198.5728  0.0018 -3.8867 3  150.4892212 -59516140426 819 4    25 718 4      C-13-H3C(O)CH3
  314198.5728  0.0018 -3.8867 3  150.4892212 -59516140426 719 3    25 818 3      C-13-H3C(O)CH3
  314199.7339  0.1551 -6.2675 3 1538.3984B60  595161404725617 1    725518 1      C-13-H3C(O)CH3
  314227.0839  0.0970 -6.1466 3 1228.2431508  5951614046354 9 3    635310 3      C-13-H3C(O)CH3
  314228.1405  0.0111 -5.7877 3  243.7235488  595161404301713 2    301416 2      C-13-H3C(O)CH3
  314241.3598  0.0029 -4.0236 3   78.7135140  5951614041713 5 4    1612 5 4      C-13-H3C(O)CH3
  314263.8089  0.0021 -3.5856 3  150.4789424 -59516140426 819 1    25 718 1      C-13-H3C(O)CH3
  314263.8089  0.0021 -3.5856 3  150.4789424 -59516140426 719 1    25 818 1      C-13-H3C(O)CH3
  314265.3625  0.0021 -3.5857 3  150.4778424 -59516140426 719 2    25 818 2      C-13-H3C(O)CH3
  314265.3625  0.0021 -3.5857 3  150.4778424 -59516140426 819 2    25 718 2      C-13-H3C(O)CH3
  314269.0173  0.0190 -6.5381 3  212.0847220  5951614042721 7 4    271810 4      C-13-H3C(O)CH3
  314280.7971  0.0024 -4.0218 3   78.8476140  5951614041713 4 4    1612 4 4      C-13-H3C(O)CH3
  314299.9819  0.1423 -6.2673 3 1538.4351B60  595161404725616 0    725517 0      C-13-H3C(O)CH3
  314299.9819  0.1423 -6.2673 3 1538.4351B60  595161404725617 0    725518 0      C-13-H3C(O)CH3
  314301.0978  0.0909 -5.8454 3 1228.2514A16  5951614046354 9 1    635310 1      C-13-H3C(O)CH3
  314304.3517  0.0142 -5.5941 3  327.1007568  595161404351917 1    342014 1      C-13-H3C(O)CH3
  314304.3845  0.0988 -6.1464 3 1228.2344508  595161404635410 3    635311 3      C-13-H3C(O)CH3
  314310.6656  0.0022 -3.7150 3   78.7552280 -5951614041713 5 0    1612 4 0      C-13-H3C(O)CH3
  314314.3251  0.0094 -5.7868 3  243.7430488  595161404301713 0    301416 0      C-13-H3C(O)CH3
  314322.5812  0.0925 -5.8453 3 1228.2310A16  595161404635410 0    635310 0      C-13-H3C(O)CH3
  314322.5812  0.0925 -5.8453 3 1228.2310A16  5951614046354 9 0    635311 0      C-13-H3C(O)CH3
  314326.1951  0.0909 -5.8453 3 1228.2141A16  595161404635410 2    635311 2      C-13-H3C(O)CH3
  314330.4406  0.0019 -3.5855 3  150.4676424 -59516140426 719 0    25 818 0      C-13-H3C(O)CH3
  314330.4406  0.0019 -3.5855 3  150.4676424 -59516140426 819 0    25 718 0      C-13-H3C(O)CH3
  314361.6482  0.0226 -6.0964 3  999.0848A16  595161404632538 0    632539 0      C-13-H3C(O)CH3
  314361.6482  0.0226 -5.2069 3  999.0848A16  595161404632538 0    632439 0      C-13-H3C(O)CH3
  314361.6482  0.0226 -6.0964 3  999.0848A16  595161404632638 0    632439 0      C-13-H3C(O)CH3
  314361.6482  0.0226 -5.2069 3  999.0848A16  595161404632638 0    632539 0      C-13-H3C(O)CH3
  314369.3319  0.0850 -5.8453 3 1228.2246A16  595161404635410 1    635311 1      C-13-H3C(O)CH3
  314372.9823  0.1103 -6.1463 3 1228.2077508  595161404635410 4    635311 4      C-13-H3C(O)CH3
  314395.9031  0.0250 -5.5275 3  999.0952A16  595161404632638 1    632439 1      C-13-H3C(O)CH3
  314395.9031  0.0250 -5.5138 3  999.0952A16  595161404632538 1    632539 1      C-13-H3C(O)CH3
  314395.9031  0.0250 -5.4033 3  999.0952A16  595161404632538 1    632439 1      C-13-H3C(O)CH3
  314395.9031  0.0250 -5.3931 3  999.0952A16  595161404632638 1    632539 1      C-13-H3C(O)CH3
  314399.9448  0.0303 -5.1683 3  999.0959A16  595161404632638 2    632539 2      C-13-H3C(O)CH3
  314399.9448  0.0303 -6.6463 3  999.0959A16  595161404632638 2    632439 2      C-13-H3C(O)CH3
  314399.9448  0.0303 -5.1735 3  999.0959A16  595161404632538 2    632439 2      C-13-H3C(O)CH3
  314399.9448  0.0303 -6.5124 3  999.0959A16  595161404632538 2    632539 2      C-13-H3C(O)CH3
  314403.5495  0.0043 -4.4541 3   78.7695140  5951614041713 5 3    1612 5 3      C-13-H3C(O)CH3
  314405.3174  0.0154 -5.2897 3  215.3107228  595161404281811 4    2719 8 4      C-13-H3C(O)CH3
  314417.2590  0.0813 -5.7611 3 1047.3002920  5951614045753 5 0    5752 5 0      C-13-H3C(O)CH3
  314417.2590  0.0813 -5.7611 3 1047.3002920  5951614045753 4 0    5752 6 0      C-13-H3C(O)CH3
  314417.8993  0.0171 -5.8928 3  327.0690284  595161404351917 4    342014 4      C-13-H3C(O)CH3
  314421.9666  0.0172 -5.8928 3  327.0689284  595161404351917 3    342014 3      C-13-H3C(O)CH3
  314422.8040  0.0142 -6.0900 3  243.7079244  595161404301713 3    301416 3      C-13-H3C(O)CH3
  314434.1622  0.0140 -6.0900 3  243.7079244  595161404301713 4    301416 4      C-13-H3C(O)CH3
  314434.2743  0.0292 -5.4550 3  999.1064508  595161404632538 3    632439 3      C-13-H3C(O)CH3
  314434.2743  0.0292 -5.4550 3  999.1064508  595161404632638 3    632539 3      C-13-H3C(O)CH3
  314434.3880  0.0293 -6.5925 3  999.1064508  595161404632538 4    632539 4      C-13-H3C(O)CH3
  314434.3880  0.0293 -5.4867 3  999.1064508  595161404632638 4    632539 4      C-13-H3C(O)CH3
  314434.3880  0.0293 -5.4878 3  999.1064508  595161404632538 4    632439 4      C-13-H3C(O)CH3
  314434.3880  0.0293 -6.6074 3  999.1064508  595161404632638 4    632439 4      C-13-H3C(O)CH3
  314436.5280  0.0423 -5.9120 3  613.0917380  595161404472918 3    472621 3      C-13-H3C(O)CH3
  314438.0638  0.3619 -6.7271 3 1812.4967C72  595161404795821 1    795722 1      C-13-H3C(O)CH3
  314441.2722  0.0070 -5.6544 3  596.2358824  595161404511437 0    511438 0      C-13-H3C(O)CH3
  314441.2722  0.0070 -5.3272 3  596.2358824  595161404511537 0    511338 0      C-13-H3C(O)CH3
  314441.2722  0.0070 -4.6316 3  596.2358824  595161404511437 0    511338 0      C-13-H3C(O)CH3
  314441.2722  0.0070 -4.5876 3  596.2358824  595161404511537 0    511438 0      C-13-H3C(O)CH3
  314452.1836  0.0024 -3.7315 3   78.7981280 -5951614041713 4 1    1612 4 1      C-13-H3C(O)CH3
  314467.1857  0.0384 -5.6130 3  613.1074760  595161404472918 2    472621 2      C-13-H3C(O)CH3
  314478.6849  0.0965 -5.7610 3 1047.3155920  5951614045753 5 2    5752 5 2      C-13-H3C(O)CH3
  314479.4696  0.0386 -5.9126 3  613.0917380  595161404472918 4    472621 4      C-13-H3C(O)CH3
  314481.3410  0.0025 -3.7322 3   78.7245280 -5951614041713 5 1    1612 5 1      C-13-H3C(O)CH3
  314490.3350  0.0089 -4.7628 3  596.2079824  595161404511537 2    511438 2      C-13-H3C(O)CH3
  314490.3350  0.0089 -4.9662 3  596.2079824  595161404511537 2    511338 2      C-13-H3C(O)CH3
  314490.3350  0.0089 -4.9662 3  596.2079824  595161404511437 2    511438 2      C-13-H3C(O)CH3
  314490.3350  0.0089 -4.7628 3  596.2079824  595161404511437 2    511338 2      C-13-H3C(O)CH3
  314490.9974  0.0090 -4.7504 3  596.2085824  595161404511537 1    511338 1      C-13-H3C(O)CH3
  314490.9974  0.0090 -4.7504 3  596.2085824  595161404511437 1    511438 1      C-13-H3C(O)CH3
  314490.9974  0.0090 -4.9866 3  596.2085824  595161404511437 1    511338 1      C-13-H3C(O)CH3
  314490.9974  0.0090 -4.9866 3  596.2085824  595161404511537 1    511438 1      C-13-H3C(O)CH3
  314493.8972  0.0026 -3.7354 3   78.7971280 -5951614041713 4 2    1612 4 2      C-13-H3C(O)CH3
  314510.7594  0.0115 -5.7882 3  243.7273488  595161404301713 1    301416 1      C-13-H3C(O)CH3
  314512.3454  0.0793 -5.7611 3 1047.3290920  5951614045753 5 1    5752 6 1      C-13-H3C(O)CH3
  314528.3736  0.3030 -6.7268 3 1812.4472C72  595161404795822 1    795723 1      C-13-H3C(O)CH3
  314529.4843  0.0024 -3.7364 3   78.7327280 -5951614041713 5 2    1612 5 2      C-13-H3C(O)CH3
  314540.1173  0.0098 -5.2343 3  596.1805412  595161404511537 4    511438 4      C-13-H3C(O)CH3
  314540.1173  0.0098 -5.0854 3  596.1805412  595161404511437 4    511438 4      C-13-H3C(O)CH3
  314540.1173  0.0098 -5.0854 3  596.1805412  595161404511537 4    511338 4      C-13-H3C(O)CH3
  314540.1173  0.0098 -5.2343 3  596.1805412  595161404511437 4    511338 4      C-13-H3C(O)CH3
  314540.1331  0.0098 -5.5300 3  596.1805412  595161404511537 3    511438 3      C-13-H3C(O)CH3
  314540.1331  0.0098 -4.9549 3  596.1805412  595161404511537 3    511338 3      C-13-H3C(O)CH3
  314540.1331  0.0098 -4.9549 3  596.1805412  595161404511437 3    511438 3      C-13-H3C(O)CH3
  314540.1331  0.0098 -5.5300 3  596.1805412  595161404511437 3    511338 3      C-13-H3C(O)CH3
  314545.4567  0.0118 -5.5911 3  327.1154568  595161404351917 0    342014 0      C-13-H3C(O)CH3
  314562.5924  0.0123 -6.2807 3  469.7586340  595161404422121 3    412418 3      C-13-H3C(O)CH3
  314565.9575  0.0125 -6.2807 3  469.7585340  595161404422121 4    412418 4      C-13-H3C(O)CH3
  314567.2751  0.0316 -5.6140 3  613.1125760  595161404472918 1    472621 1      C-13-H3C(O)CH3
  314574.7229  0.1011 -6.0621 3 1047.3442460  5951614045753 5 3    5752 6 3      C-13-H3C(O)CH3
  314576.6778  0.0123 -5.9809 3  469.7839680  595161404422121 1    412418 1      C-13-H3C(O)CH3
  314583.8639  0.0296 -5.6157 3  613.1281760  595161404472918 0    472621 0      C-13-H3C(O)CH3
  314586.6620  0.0735 -5.9983 3 1310.1298572  595161404713239 4    713140 4      C-13-H3C(O)CH3
  314586.6621  0.0735 -5.9983 3 1310.1298572  595161404713339 4    713240 4      C-13-H3C(O)CH3
  314586.6630  0.0735 -5.9983 3 1310.1298572  595161404713239 3    713140 3      C-13-H3C(O)CH3
  314586.6631  0.0735 -5.9983 3 1310.1298572  595161404713339 3    713240 3      C-13-H3C(O)CH3
  314586.7726  0.3606 -6.7268 3 1812.4900C72  595161404795821 2    795722 2      C-13-H3C(O)CH3
  314586.9033  0.0887 -5.7609 3 1047.3348920  5951614045753 4 1    5752 5 1      C-13-H3C(O)CH3
  314598.3348  0.2830 -6.7267 3 1812.4549C72  595161404795822 2    795723 2      C-13-H3C(O)CH3
  314602.0309  0.0721 -5.6973 3 1310.1098B44  595161404713239 1    713140 1      C-13-H3C(O)CH3
  314602.0310  0.0721 -5.6973 3 1310.1098B44  595161404713339 1    713240 1      C-13-H3C(O)CH3
  314606.3649  0.0736 -5.6975 3 1310.1121B44  595161404713239 2    713140 2      C-13-H3C(O)CH3
  314606.3650  0.0736 -5.6975 3 1310.1121B44  595161404713339 2    713240 2      C-13-H3C(O)CH3
  314621.7488  0.0724 -5.6971 3 1310.0922B44  595161404713239 0    713140 0      C-13-H3C(O)CH3
  314621.7489  0.0724 -5.6971 3 1310.0922B44  595161404713339 0    713240 0      C-13-H3C(O)CH3
  314626.7156  0.0809 -5.7609 3 1047.3144920  5951614045753 4 2    5752 6 2      C-13-H3C(O)CH3
  314627.8068  0.0126 -5.9787 3  469.7787680  595161404422121 2    412418 2      C-13-H3C(O)CH3
  314639.8978  0.0109 -5.9799 3  469.8039680  595161404422121 0    412418 0      C-13-H3C(O)CH3
  314648.5849  0.1226 -6.0618 3 1047.3499460  5951614045753 4 4    5752 5 4      C-13-H3C(O)CH3
  314665.8928  0.0146 -5.5888 3  327.0836568  595161404351917 2    342014 2      C-13-H3C(O)CH3
  314674.2418  0.0144 -5.9963 3  370.1767300  595161404372017 3    362314 3      C-13-H3C(O)CH3
  314685.7011  0.0132 -5.9963 3  370.1764300  595161404372017 4    362314 4      C-13-H3C(O)CH3
  314689.6629  0.0095 -4.8627 3  215.3165456  595161404281811 2    2719 8 2      C-13-H3C(O)CH3
  314703.0555  0.2758 -6.6788 3 1838.9696D36  595161404834241 1    834142 1      C-13-H3C(O)CH3
  314703.2599  0.2759 -6.6788 3 1838.9696D36  595161404834341 1    834242 1      C-13-H3C(O)CH3
  314704.2054  0.2650 -6.6789 3 1838.9723D36  595161404834241 2    834142 2      C-13-H3C(O)CH3
  314704.3690  0.2649 -6.6789 3 1838.9723D36  595161404834341 2    834242 2      C-13-H3C(O)CH3
  314715.1889  0.0099 -4.9263 3  215.3169456  595161404281811 1    2719 8 1      C-13-H3C(O)CH3
  314722.9484  0.0968 -6.0619 3 1047.3431460  5951614045753 5 4    5752 6 4      C-13-H3C(O)CH3
  314725.1398  0.3503 -6.7265 3 1812.4868C72  595161404795821 0    795722 0      C-13-H3C(O)CH3
  314725.1410  0.3503 -6.7265 3 1812.4868C72  595161404795822 0    795723 0      C-13-H3C(O)CH3
  314725.4935  0.0139 -5.6937 3  370.1976600  595161404372017 2    362314 2      C-13-H3C(O)CH3
  314729.0293  0.2780 -6.6787 3 1838.9713D36  595161404834241 0    834142 0      C-13-H3C(O)CH3
  314729.2053  0.2780 -6.6787 3 1838.9713D36  595161404834341 0    834242 0      C-13-H3C(O)CH3
  314781.8683  0.0115 -4.2147 3   78.7695140  5951614041713 4 3    1612 5 3      C-13-H3C(O)CH3
  314797.4662  0.1006 -6.0617 3 1047.3489460  5951614045753 4 3    5752 5 3      C-13-H3C(O)CH3
  314822.1729  0.0053 -4.7763 3  215.3281456  595161404281811 0    2719 8 0      C-13-H3C(O)CH3
  314837.2064  0.0043 -5.4112 3   33.0334108  59516140413 4 9 3    12 310 3      C-13-H3C(O)CH3
  314837.5793  0.0056 -5.4112 3   33.0334108  59516140413 4 9 4    12 310 4      C-13-H3C(O)CH3
  314842.0806  0.0043 -5.4112 3   33.0334108  59516140413 5 9 3    12 210 3      C-13-H3C(O)CH3
  314842.3889  0.0056 -5.4112 3   33.0334108  59516140413 5 9 4    12 210 4      C-13-H3C(O)CH3
  314926.1926  0.0124 -5.6934 3  370.1985600  595161404372017 1    362314 1      C-13-H3C(O)CH3
  314952.2563  0.0136 -6.2739 3  212.1021440  5951614042721 7 1    271810 1      C-13-H3C(O)CH3
  314956.1561  0.0943 -5.6584 3  698.7602808  595161404503218 0    502921 0      C-13-H3C(O)CH3
  314976.0534  0.0123 -5.6917 3  370.2194600  595161404372017 0    362314 0      C-13-H3C(O)CH3
  315015.6451  0.0186 -6.6134 3  212.0891220  5951614042721 7 3    271810 3      C-13-H3C(O)CH3
  315022.1647  0.0104 -5.1251 3  215.2911228  595161404281811 3    2719 8 3      C-13-H3C(O)CH3
  315025.2267  0.0064 -4.5763 3  565.5545808 -595161404501337 0    501338 0      C-13-H3C(O)CH3
  315025.2267  0.0064 -4.5763 3  565.5545808 -595161404501437 0    501238 0      C-13-H3C(O)CH3
  315025.2603  0.0064 -5.4060 3  565.5545808  595161404501437 0    501338 0      C-13-H3C(O)CH3
  315025.2603  0.0064 -5.4060 3  565.5545808  595161404501337 0    501238 0      C-13-H3C(O)CH3
  315059.4876  0.0084 -4.8490 3  565.5249808  595161404501437 2    501238 2      C-13-H3C(O)CH3
  315059.4876  0.0084 -4.8490 3  565.5249808  595161404501337 2    501338 2      C-13-H3C(O)CH3
  315059.5053  0.0084 -4.7877 3  565.5249808 -595161404501337 2    501238 2      C-13-H3C(O)CH3
  315059.5053  0.0084 -4.7877 3  565.5249808 -595161404501437 2    501338 2      C-13-H3C(O)CH3
  315060.2661  0.0086 -5.1111 3  565.5255808 -595161404501337 1    501238 1      C-13-H3C(O)CH3
  315060.2661  0.0086 -5.1111 3  565.5255808 -595161404501437 1    501338 1      C-13-H3C(O)CH3
  315060.4197  0.0086 -4.6436 3  565.5255808  595161404501437 1    501238 1      C-13-H3C(O)CH3
  315060.4197  0.0086 -4.6436 3  565.5255808  595161404501337 1    501338 1      C-13-H3C(O)CH3
  315072.4750  0.0022 -4.1845 3  124.5195180  595161404221211 4    211110 4      C-13-H3C(O)CH3
  315073.2146  0.5003 -6.9511 3 1939.0220D20  595161404825923 1    825824 1      C-13-H3C(O)CH3
  315085.5919  0.0028 -4.1845 3  124.5190180 -595161404221211 3    211110 3      C-13-H3C(O)CH3
  315094.6334  0.0092 -5.1273 3  565.4959404  595161404501337 4    501238 4      C-13-H3C(O)CH3
  315094.6334  0.0092 -5.1091 3  565.4959404  595161404501337 4    501338 4      C-13-H3C(O)CH3
  315094.6334  0.0092 -5.1091 3  565.4959404  595161404501437 4    501238 4      C-13-H3C(O)CH3
  315094.6334  0.0092 -5.1273 3  565.4959404  595161404501437 4    501338 4      C-13-H3C(O)CH3
  315094.7019  0.0093 -5.3967 3  565.4960404  595161404501337 3    501338 3      C-13-H3C(O)CH3
  315094.7019  0.0093 -5.6035 3  565.4960404  595161404501337 3    501238 3      C-13-H3C(O)CH3
  315094.7019  0.0093 -4.9497 3  565.4960404  595161404501437 3    501338 3      C-13-H3C(O)CH3
  315094.7019  0.0093 -4.8946 3  565.4960404  595161404501437 3    501238 3      C-13-H3C(O)CH3
  315122.6775  0.0022 -3.7133 3   78.7361280 -5951614041713 4 0    1612 5 0      C-13-H3C(O)CH3
  315135.4527  0.0054 -5.1088 3   32.9715216  59516140413 4 9 2    12 310 2      C-13-H3C(O)CH3
  315136.2439  0.4130 -6.9509 3 1938.9771D20  595161404825924 1    825825 1      C-13-H3C(O)CH3
  315140.5230  0.0054 -5.1088 3   32.9715216  59516140413 5 9 2    12 210 2      C-13-H3C(O)CH3
  315145.3348  0.0052 -5.1090 3   32.9721216  59516140413 4 9 1    12 310 1      C-13-H3C(O)CH3
  315150.2655  0.0052 -5.1090 3   32.9721216  59516140413 5 9 1    12 210 1      C-13-H3C(O)CH3
  315205.9765  0.0019 -3.8420 3  155.4949220 -59516140427 721 3    26 620 3      C-13-H3C(O)CH3
  315205.9765  0.0019 -3.8420 3  155.4949220 -59516140427 621 4    26 720 4      C-13-H3C(O)CH3
  315205.9765  0.0019 -3.8420 3  155.4949220 -59516140427 621 3    26 720 3      C-13-H3C(O)CH3
  315205.9765  0.0019 -3.8420 3  155.4949220 -59516140427 721 4    26 620 4      C-13-H3C(O)CH3
  315207.1287  0.0026 -3.8836 3  124.5091360 -595161404221211 1    211110 1      C-13-H3C(O)CH3
  315212.9906  0.0199 -6.7246 3  212.0891220  5951614042721 6 3    271810 3      C-13-H3C(O)CH3
  315247.6106  0.4716 -6.9508 3 1939.0079D20  595161404825923 2    825824 2      C-13-H3C(O)CH3
  315248.2546  0.0221 -5.6457 3  376.4526600  595161404372215 2    371918 2      C-13-H3C(O)CH3
  315265.4676  0.0022 -3.5408 3  155.4815440 -59516140427 621 1    26 720 1      C-13-H3C(O)CH3
  315265.4676  0.0022 -3.5408 3  155.4815440 -59516140427 721 1    26 620 1      C-13-H3C(O)CH3
  315266.4514  0.0022 -3.5409 3  155.4806440  59516140427 621 2    26 720 2      C-13-H3C(O)CH3
  315266.5148  0.0022 -3.5409 3  155.4806440 -59516140427 721 2    26 620 2      C-13-H3C(O)CH3
  315266.8914  0.3926 -6.9506 3 1938.9819D20  595161404825924 2    825825 2      C-13-H3C(O)CH3
  315279.0575  0.0026 -3.8840 3  124.5029360 -595161404221211 2    211110 2      C-13-H3C(O)CH3
  315294.8893  0.0151 -5.3886 3  321.8712536  5951614043326 8 0    3227 5 0      C-13-H3C(O)CH3
  315295.0638  0.0151 -5.3886 3  321.8712536  5951614043326 7 0    3227 6 0      C-13-H3C(O)CH3
  315325.8504  0.0019 -3.5408 3  155.4673440 -59516140427 621 0    26 720 0      C-13-H3C(O)CH3
  315325.8504  0.0019 -3.5408 3  155.4673440 -59516140427 721 0    26 620 0      C-13-H3C(O)CH3
  315355.9867  0.5031 -6.9505 3 1939.0138D20  595161404825923 0    825824 0      C-13-H3C(O)CH3
  315355.9966  0.5031 -6.9505 3 1939.0138D20  595161404825924 0    825825 0      C-13-H3C(O)CH3
  315358.4398  0.0153 -6.3131 3  212.1048440  5951614042721 7 2    271810 2      C-13-H3C(O)CH3
  315360.2006  0.0199 -5.0905 3  961.4477A00  595161404622438 0    622439 0      C-13-H3C(O)CH3
  315360.2006  0.0199 -5.0918 3  961.4477A00  595161404622538 0    622339 0      C-13-H3C(O)CH3
  315402.9028  0.0226 -5.1173 3  961.4554A00  595161404622438 1    622339 1      C-13-H3C(O)CH3
  315402.9028  0.0226 -6.3021 3  961.4554A00  595161404622438 1    622439 1      C-13-H3C(O)CH3
  315402.9028  0.0226 -5.1007 3  961.4554A00  595161404622538 1    622439 1      C-13-H3C(O)CH3
  315402.9028  0.0226 -6.6929 3  961.4554A00  595161404622538 1    622339 1      C-13-H3C(O)CH3
  315405.2297  0.0246 -5.9469 3  376.4287300  595161404372215 3    371918 3      C-13-H3C(O)CH3
  315405.8613  0.0023 -3.8841 3  124.4928360 -595161404221211 0    211110 0      C-13-H3C(O)CH3
  315406.3554  0.0248 -5.9469 3  376.4287300  595161404372215 4    371918 4      C-13-H3C(O)CH3
  315406.6214  0.0274 -5.0971 3  961.4560A00  595161404622438 2    622339 2      C-13-H3C(O)CH3
  315406.6214  0.0274 -5.0971 3  961.4560A00  595161404622538 2    622439 2      C-13-H3C(O)CH3
  315406.6214  0.0274 -6.8648 3  961.4560A00  595161404622538 2    622339 2      C-13-H3C(O)CH3
  315406.6214  0.0274 -6.8648 3  961.4560A00  595161404622438 2    622439 2      C-13-H3C(O)CH3
  315415.5865  0.1420 -6.3116 3 1362.2809540  595161404675512 4    675413 4      C-13-H3C(O)CH3
  315418.0213  0.0855 -5.7977 3 1020.6044904  5951614045653 3 0    5652 4 0      C-13-H3C(O)CH3
  315418.0213  0.0855 -5.7977 3 1020.6044904  5951614045653 4 0    5652 5 0      C-13-H3C(O)CH3
  315442.8789  0.0055 -5.1075 3   32.9103216  59516140413 4 9 0    12 310 0      C-13-H3C(O)CH3
  315448.0373  0.0055 -5.1075 3   32.9103216  59516140413 5 9 0    12 210 0      C-13-H3C(O)CH3
  315449.4045  0.0258 -6.5807 3  961.4637500  595161404622538 3    622439 3      C-13-H3C(O)CH3
  315449.4045  0.0258 -5.4331 3  961.4637500  595161404622438 3    622439 3      C-13-H3C(O)CH3
  315449.4045  0.0258 -6.4211 3  961.4637500  595161404622438 3    622339 3      C-13-H3C(O)CH3
  315449.4045  0.0258 -5.4196 3  961.4637500  595161404622538 3    622339 3      C-13-H3C(O)CH3
  315449.5316  0.0259 -5.3976 3  961.4637500  595161404622438 4    622339 4      C-13-H3C(O)CH3
  315449.5316  0.0259 -5.3991 3  961.4637500  595161404622538 4    622439 4      C-13-H3C(O)CH3
  315465.0379  0.0160 -5.6470 3  376.4815600  595161404372215 0    371918 0      C-13-H3C(O)CH3
  315476.4682  0.0151 -5.3888 3  321.8241536  5951614043326 8 1    3227 5 1      C-13-H3C(O)CH3
  315510.5994  0.0860 -5.7977 3 1020.6403904  5951614045653 4 1    5652 5 1      C-13-H3C(O)CH3
  315512.4230  0.1398 -6.4626 3 1564.4876620  595161404773740 4    773641 4      C-13-H3C(O)CH3
  315512.4279  0.1398 -6.4626 3 1564.4876620  595161404773840 4    773741 4      C-13-H3C(O)CH3
  315512.4816  0.1398 -6.4625 3 1564.4876620  595161404773740 3    773641 3      C-13-H3C(O)CH3
  315512.4865  0.1398 -6.4625 3 1564.4876620  595161404773840 3    773741 3      C-13-H3C(O)CH3
  315527.3381  0.1234 -6.3114 3 1362.2342540  595161404675513 3    675414 3      C-13-H3C(O)CH3
  315535.0866  0.1342 -6.3114 3 1362.2422540  595161404675512 3    675413 3      C-13-H3C(O)CH3
  315539.5752  0.1063 -5.7974 3 1020.6203904  5951614045653 4 2    5652 5 2      C-13-H3C(O)CH3
  315540.1356  0.0144 -5.3872 3  321.8378536  5951614043326 7 2    3227 5 2      C-13-H3C(O)CH3
  315541.6605  0.1277 -6.0103 3 1362.2662A80  595161404675512 2    675413 2      C-13-H3C(O)CH3
  315544.4891  0.1521 -6.1614 3 1564.4744C40  595161404773740 1    773641 1      C-13-H3C(O)CH3
  315544.4942  0.1521 -6.1614 3 1564.4744C40  595161404773840 1    773741 1      C-13-H3C(O)CH3
  315546.7991  0.1453 -6.1616 3 1564.4775C40  595161404773740 2    773641 2      C-13-H3C(O)CH3
  315546.8030  0.1453 -6.1616 3 1564.4775C40  595161404773840 2    773741 2      C-13-H3C(O)CH3
  315577.5373  0.0959 -5.8243 3 1198.5852A00  5951614046254 8 2    6253 9 2      C-13-H3C(O)CH3
  315578.7678  0.1536 -6.1613 3 1564.4643C40  595161404773740 0    773641 0      C-13-H3C(O)CH3
  315578.7718  0.1536 -6.1613 3 1564.4643C40  595161404773840 0    773741 0      C-13-H3C(O)CH3
  315580.0739  0.0109 -6.0326 3  388.3919308  595161404382018 3    372315 3      C-13-H3C(O)CH3
  315583.2819  0.0062 -5.1904 3  535.4567792 -595161404491237 0    491138 0      C-13-H3C(O)CH3
  315583.2819  0.0062 -5.1904 3  535.4567792 -595161404491337 0    491238 0      C-13-H3C(O)CH3
  315583.3008  0.0062 -4.5799 3  535.4567792  595161404491237 0    491238 0      C-13-H3C(O)CH3
  315583.3008  0.0062 -4.5799 3  535.4567792  595161404491337 0    491138 0      C-13-H3C(O)CH3
  315589.4147  0.0105 -6.0326 3  388.3916308  595161404382018 4    372315 4      C-13-H3C(O)CH3
  315593.9218  0.1056 -6.1254 3 1198.6071500  5951614046254 8 4    6253 9 4      C-13-H3C(O)CH3
  315598.4478  0.0082 -6.3200 3  535.4264792  595161404491237 2    491238 2      C-13-H3C(O)CH3
  315598.4478  0.0082 -6.3200 3  535.4264792  595161404491337 2    491138 2      C-13-H3C(O)CH3
  315598.4478  0.0082 -4.4909 3  535.4264792  595161404491237 2    491138 2      C-13-H3C(O)CH3
  315598.4478  0.0082 -4.4909 3  535.4264792  595161404491337 2    491238 2      C-13-H3C(O)CH3
  315599.5927  0.0084 -4.4957 3  535.4270792  595161404491237 1    491238 1      C-13-H3C(O)CH3
  315599.5927  0.0084 -5.0839 3  535.4270792  595161404491237 1    491138 1      C-13-H3C(O)CH3
  315599.5927  0.0084 -4.6104 3  535.4270792  595161404491337 1    491138 1      C-13-H3C(O)CH3
  315599.5927  0.0084 -6.0805 3  535.4270792  595161404491337 1    491238 1      C-13-H3C(O)CH3
  315612.3099  0.1151 -6.0102 3 1362.2615A80  595161404675512 1    675413 1      C-13-H3C(O)CH3
  315613.0016  0.0092 -5.5170 3  215.2857456  595161404281811 2    2719 9 2      C-13-H3C(O)CH3
  315614.6438  0.0087 -4.7855 3  535.3967396  595161404491337 4    491138 4      C-13-H3C(O)CH3
  315614.6438  0.0087 -4.7855 3  535.3967396  595161404491237 4    491238 4      C-13-H3C(O)CH3
  315614.7700  0.0087 -4.7903 3  535.3967396  595161404491237 3    491238 3      C-13-H3C(O)CH3
  315614.7700  0.0087 -4.7903 3  535.3967396  595161404491337 3    491138 3      C-13-H3C(O)CH3
  315614.7700  0.0087 -6.7411 3  535.3967396  595161404491337 3    491238 3      C-13-H3C(O)CH3
  315614.7700  0.0087 -6.7411 3  535.3967396  595161404491237 3    491138 3      C-13-H3C(O)CH3
  315618.3019  0.0181 -5.6472 3  376.4577600  595161404372215 1    371918 1      C-13-H3C(O)CH3
  315624.0850  0.0967 -5.7974 3 1020.6433904  5951614045653 3 1    5652 4 1      C-13-H3C(O)CH3
  315624.3456  0.2999 -6.7584 3 1654.3571604  595161404755718 4    755619 4      C-13-H3C(O)CH3
  315632.7296  0.0152 -5.3876 3  321.8191536  5951614043326 7 1    3227 6 1      C-13-H3C(O)CH3
  315633.3298  0.1119 -6.0985 3 1020.6561452  5951614045653 4 3    5652 5 3      C-13-H3C(O)CH3
  315640.2177  0.0941 -6.1253 3 1198.5842500  5951614046254 8 3    6253 9 3      C-13-H3C(O)CH3
  315646.4647  0.1390 -6.3111 3 1362.1956540  595161404675513 4    675414 4      C-13-H3C(O)CH3
  315653.2096  0.1078 -6.0101 3 1362.2195A80  595161404675513 2    675414 2      C-13-H3C(O)CH3
  315655.4858  0.2276 -6.7582 3 1654.3121604  595161404755718 3    755619 3      C-13-H3C(O)CH3
  315667.1332  0.0152 -5.3877 3  321.8334536  5951614043326 8 2    3227 6 2      C-13-H3C(O)CH3
  315670.3945  0.0117 -5.7298 3  388.4124616  595161404382018 2    372315 2      C-13-H3C(O)CH3
  315671.1361  0.0882 -5.7974 3 1020.6272904  5951614045653 3 2    5652 4 2      C-13-H3C(O)CH3
  315688.1022  0.0943 -5.8241 3 1198.5682A00  5951614046254 9 0    625310 0      C-13-H3C(O)CH3
  315688.1022  0.0943 -5.8241 3 1198.5682A00  5951614046254 8 0    6253 9 0      C-13-H3C(O)CH3
  315705.2373  0.0901 -5.8242 3 1198.5902A00  5951614046254 8 1    6253 9 1      C-13-H3C(O)CH3
  315717.3526  0.0847 -5.6632 3  698.7407808  595161404503218 1    502921 1      C-13-H3C(O)CH3
  315718.3560  0.0162 -5.6895 3  321.7907268  5951614043326 8 3    3227 5 3      C-13-H3C(O)CH3
  315731.2807  0.1075 -6.0100 3 1362.2229A80  595161404675513 1    675414 1      C-13-H3C(O)CH3
  315732.5880  0.0898 -5.8241 3 1198.5551A00  5951614046254 9 2    625310 2      C-13-H3C(O)CH3
  315737.7267  0.1036 -6.0099 3 1362.2468A80  595161404675513 0    675414 0      C-13-H3C(O)CH3
  315737.7267  0.1036 -6.0099 3 1362.2468A80  595161404675512 0    675413 0      C-13-H3C(O)CH3
  315746.4483  0.1367 -6.0982 3 1020.6591452  5951614045653 4 4    5652 5 4      C-13-H3C(O)CH3
  315746.9880  0.0109 -5.7311 3  388.4156616  595161404382018 1    372315 1      C-13-H3C(O)CH3
  315749.5733  0.0971 -6.1251 3 1198.5770500  5951614046254 9 3    625310 3      C-13-H3C(O)CH3
  315750.5829  0.0839 -5.8241 3 1198.5673A00  5951614046254 9 1    625310 1      C-13-H3C(O)CH3
  315754.3996  0.2658 -6.7580 3 1654.3061604  595161404755719 3    755620 3      C-13-H3C(O)CH3
  315754.7203  0.0078 -6.2483 3  179.7574212  595161404261512 4    261215 4      C-13-H3C(O)CH3
  315757.5971  0.0064 -6.2483 3  179.7573212  595161404261512 3    261215 3      C-13-H3C(O)CH3
  315765.0666  0.1041 -6.0984 3 1020.6631452  5951614045653 3 4    5652 4 4      C-13-H3C(O)CH3
  315785.5345  0.2005 -6.7579 3 1654.2612604  595161404755719 4    755620 4      C-13-H3C(O)CH3
  315789.0486  0.0101 -6.0510 3  215.2655228  595161404281811 3    2719 9 3      C-13-H3C(O)CH3
  315795.2849  0.1066 -6.1251 3 1198.5541500  5951614046254 9 4    625310 4      C-13-H3C(O)CH3
  315805.9701  0.2320 -6.4570 3 1654.3449C08  595161404755718 1    755619 1      C-13-H3C(O)CH3
  315809.8700  0.0063 -5.9451 3  179.7603424  595161404261512 2    261215 2      C-13-H3C(O)CH3
  315835.0135  0.0110 -5.7293 3  388.4361616  595161404382018 0    372315 0      C-13-H3C(O)CH3
  315845.1558  0.0174 -5.6889 3  321.7864268  5951614043326 8 4    3227 5 4      C-13-H3C(O)CH3
  315873.5821  0.0078 -6.5464 3  154.2349196  595161404241410 4    2315 8 4      C-13-H3C(O)CH3
  315875.9371  0.0179 -5.6872 3  321.7856268  5951614043326 7 4    3227 6 4      C-13-H3C(O)CH3
  315877.1989  0.0063 -5.9455 3  179.7631424  595161404261512 1    261215 1      C-13-H3C(O)CH3
  315878.7897  0.1108 -6.0981 3 1020.6661452  5951614045653 3 3    5652 4 3      C-13-H3C(O)CH3
  315890.2405  0.2545 -6.4568 3 1654.3471C08  595161404755718 2    755619 2      C-13-H3C(O)CH3
  315921.4402  0.1825 -6.4567 3 1654.3022C08  595161404755719 2    755620 2      C-13-H3C(O)CH3
  315930.5780  0.0061 -5.9432 3  179.7661424  595161404261512 0    261215 0      C-13-H3C(O)CH3
  315936.0951  0.2037 -6.4566 3 1654.2940C08  595161404755719 1    755620 1      C-13-H3C(O)CH3
  315943.6334  0.2091 -6.5181 3 1504.2978572  595161404715615 4    715516 4      C-13-H3C(O)CH3
  315971.6887  0.0078 -6.6881 3  154.2325392  595161404241410 1    2315 8 1      C-13-H3C(O)CH3
  316001.3790  0.0156 -5.6889 3  321.7814268  5951614043326 7 3    3227 6 3      C-13-H3C(O)CH3
  316005.8987  0.0650 -5.9201 3 1267.9273564  595161404703139 3    703040 3      C-13-H3C(O)CH3
  316005.8988  0.0650 -5.9201 3 1267.9273564  595161404703239 3    703140 3      C-13-H3C(O)CH3
  316005.9122  0.0650 -5.9201 3 1267.9274564  595161404703139 4    703040 4      C-13-H3C(O)CH3
  316005.9123  0.0650 -5.9201 3 1267.9274564  595161404703239 4    703140 4      C-13-H3C(O)CH3
  316011.2683  0.0302 -6.5202 3  253.9557244  595161404302110 4    2922 7 4      C-13-H3C(O)CH3
  316012.4709  0.1615 -6.5179 3 1504.2482572  595161404715616 3    715517 3      C-13-H3C(O)CH3
  316012.8861  0.0090 -5.3092 3  215.2736456  595161404281811 1    2719 9 1      C-13-H3C(O)CH3
  316015.5451  0.0619 -5.6191 3 1267.9071B28  595161404703139 1    703040 1      C-13-H3C(O)CH3
  316015.5451  0.0619 -5.6191 3 1267.9071B28  595161404703239 1    703140 1      C-13-H3C(O)CH3
  316020.0587  0.0646 -5.6194 3 1267.9092B28  595161404703239 2    703140 2      C-13-H3C(O)CH3
  316020.0587  0.0646 -5.6194 3 1267.9092B28  595161404703139 2    703040 2      C-13-H3C(O)CH3
  316027.8323  0.0158 -6.4760 3  212.1021440  5951614042721 6 1    271810 1      C-13-H3C(O)CH3
  316029.7305  0.0619 -5.6190 3 1267.8891B28  595161404703239 0    703140 0      C-13-H3C(O)CH3
  316029.7305  0.0619 -5.6190 3 1267.8891B28  595161404703139 0    703040 0      C-13-H3C(O)CH3
  316039.9222  0.1404 -5.6664 3  698.7329808  595161404503218 2    502921 2      C-13-H3C(O)CH3
  316071.8150  0.2023 -6.4565 3 1654.3351C08  595161404755719 0    755620 0      C-13-H3C(O)CH3
  316071.8150  0.2023 -6.4565 3 1654.3351C08  595161404755718 0    755619 0      C-13-H3C(O)CH3
  316084.1836  0.1920 -6.5178 3 1504.2507572  595161404715615 3    715516 3      C-13-H3C(O)CH3
  316101.3857  0.0083 -5.6499 3  505.8839388  595161404481137 4    481038 4      C-13-H3C(O)CH3
  316101.3857  0.0083 -4.8176 3  505.8839388  595161404481137 4    481138 4      C-13-H3C(O)CH3
  316101.3857  0.0083 -4.8176 3  505.8839388  595161404481237 4    481038 4      C-13-H3C(O)CH3
  316101.3857  0.0083 -5.6499 3  505.8839388  595161404481237 4    481138 4      C-13-H3C(O)CH3
  316101.5720  0.0083 -5.4581 3  505.8840388  595161404481137 3    481038 3      C-13-H3C(O)CH3
  316101.5720  0.0083 -4.8546 3  505.8840388  595161404481237 3    481038 3      C-13-H3C(O)CH3
  316101.5720  0.0083 -4.8546 3  505.8840388  595161404481137 3    481138 3      C-13-H3C(O)CH3
  316101.5720  0.0083 -5.4581 3  505.8840388  595161404481237 3    481138 3      C-13-H3C(O)CH3
  316102.7808  0.0124 -6.0639 3  212.1198440  5951614042721 7 0    271810 0      C-13-H3C(O)CH3
  316108.8375  0.0081 -4.4572 3  505.9133776  595161404481237 2    481038 2      C-13-H3C(O)CH3
  316108.8375  0.0081 -4.4572 3  505.9133776  595161404481137 2    481138 2      C-13-H3C(O)CH3
  316110.1353  0.0082 -5.6355 3  505.9139776  595161404481237 1    481038 1      C-13-H3C(O)CH3
  316110.1353  0.0082 -4.4868 3  505.9139776  595161404481137 1    481038 1      C-13-H3C(O)CH3
  316110.1353  0.0082 -5.6355 3  505.9139776  595161404481137 1    481138 1      C-13-H3C(O)CH3
  316110.1353  0.0082 -4.4868 3  505.9139776  595161404481237 1    481138 1      C-13-H3C(O)CH3
  316117.2799  0.0062 -4.4874 3  505.9432776 -595161404481137 0    481038 0      C-13-H3C(O)CH3
  316117.2799  0.0062 -4.4874 3  505.9432776 -595161404481237 0    481138 0      C-13-H3C(O)CH3
  316117.3983  0.0062 -5.6270 3  505.9432776  595161404481237 0    481038 0      C-13-H3C(O)CH3
  316117.3983  0.0062 -5.6270 3  505.9432776  595161404481137 0    481138 0      C-13-H3C(O)CH3
  316149.8776  0.1579 -6.2167 3 1504.2802B44  595161404715615 1    715516 1      C-13-H3C(O)CH3
  316152.7961  0.1672 -6.5176 3 1504.2013572  595161404715616 4    715517 4      C-13-H3C(O)CH3
  316153.7602  0.1799 -6.2167 3 1504.2865B44  595161404715615 2    715516 2      C-13-H3C(O)CH3
  316177.5924  0.0225 -6.4072 3  257.7889244  5951614043022 9 4    301912 4      C-13-H3C(O)CH3
  316222.5671  0.1314 -6.2165 3 1504.2369B44  595161404715616 2    715517 2      C-13-H3C(O)CH3
  316225.0794  0.0242 -6.8437 3  212.0847220  5951614042721 6 4    271810 4      C-13-H3C(O)CH3
  316237.0917  0.0165 -6.4257 3  212.1048440  5951614042721 6 2    271810 2      C-13-H3C(O)CH3
  316237.3070  0.0141 -6.1527 3  536.8035728  595161404452223 1    442520 1      C-13-H3C(O)CH3
  316251.9634  0.0020 -3.8025 3  159.9476228 -59516140428 523 4    27 522 4      C-13-H3C(O)CH3
  316251.9634  0.0020 -3.8025 3  159.9476228 -59516140428 623 4    27 622 4      C-13-H3C(O)CH3
  316251.9634  0.0020 -4.1959 3  159.9475228 -59516140428 623 3    27 522 3      C-13-H3C(O)CH3
  316251.9634  0.0020 -4.0260 3  159.9475228 -59516140428 523 3    27 522 3      C-13-H3C(O)CH3
  316251.9822  0.0020 -4.0260 3  159.9475228  59516140428 623 3    27 622 3      C-13-H3C(O)CH3
  316251.9822  0.0020 -4.1959 3  159.9475228  59516140428 523 3    27 622 3      C-13-H3C(O)CH3
  316251.9838  0.0020 -6.5092 3  159.9476228  59516140428 523 4    27 622 4      C-13-H3C(O)CH3
  316251.9838  0.0020 -6.5092 3  159.9476228  59516140428 623 4    27 522 4      C-13-H3C(O)CH3
  316255.6679  0.0184 -6.0054 3  253.9714488  595161404302110 1    2922 7 1      C-13-H3C(O)CH3
  316263.9415  0.0118 -6.1523 3  536.8213728  595161404452223 0    442520 0      C-13-H3C(O)CH3
  316264.1283  0.0162 -6.4521 3  536.7814364  595161404452223 3    442520 3      C-13-H3C(O)CH3
  316265.4560  0.0163 -6.4521 3  536.7813364  595161404452223 4    442520 4      C-13-H3C(O)CH3
  316270.0105  0.0054 -5.9580 3   49.3223232  5951614041410 4 1    13 7 6 1      C-13-H3C(O)CH3
  316290.2288  0.1439 -6.2163 3 1504.2332B44  595161404715616 1    715517 1      C-13-H3C(O)CH3
  316291.9478  0.0155 -6.1507 3  536.7992728  595161404452223 2    442520 2      C-13-H3C(O)CH3
  316305.7817  0.0023 -4.1969 3  159.9298456 -59516140428 623 1    27 522 1      C-13-H3C(O)CH3
  316305.7817  0.0023 -3.5981 3  159.9298456 -59516140428 523 1    27 522 1      C-13-H3C(O)CH3
  316305.7994  0.0023 -3.5981 3  159.9298456  59516140428 623 1    27 622 1      C-13-H3C(O)CH3
  316305.7994  0.0023 -4.1969 3  159.9298456  59516140428 523 1    27 622 1      C-13-H3C(O)CH3
  316306.3712  0.0023 -5.4289 3  159.9291456  59516140428 623 2    27 522 2      C-13-H3C(O)CH3
  316306.3712  0.0023 -5.4289 3  159.9291456  59516140428 523 2    27 622 2      C-13-H3C(O)CH3
  316306.4050  0.0023 -3.5057 3  159.9291456 -59516140428 623 2    27 622 2      C-13-H3C(O)CH3
  316306.4050  0.0023 -3.5057 3  159.9291456 -59516140428 523 2    27 522 2      C-13-H3C(O)CH3
  316306.9303  0.0179 -5.0277 3  924.3825984  595161404612338 0    612339 0      C-13-H3C(O)CH3
  316306.9303  0.0179 -5.0277 3  924.3825984  595161404612438 0    612239 0      C-13-H3C(O)CH3
  316346.3296  0.0062 -6.0533 3   49.3178232  5951614041410 4 2    13 7 6 2      C-13-H3C(O)CH3
  316354.1217  0.0150 -5.4870 3  215.2457228  595161404281811 4    2719 9 4      C-13-H3C(O)CH3
  316355.9672  0.0930 -5.8633 3  994.4047888  5951614045553 3 0    5552 3 0      C-13-H3C(O)CH3
  316355.9672  0.0930 -5.8633 3  994.4047888  5951614045553 2 0    5552 4 0      C-13-H3C(O)CH3
  316357.7211  0.0206 -5.0627 3  924.3871984  595161404612338 1    612239 1      C-13-H3C(O)CH3
  316357.7211  0.0206 -6.1360 3  924.3871984  595161404612438 1    612239 1      C-13-H3C(O)CH3
  316357.7211  0.0206 -5.9483 3  924.3871984  595161404612438 1    612339 1      C-13-H3C(O)CH3
  316357.7211  0.0206 -5.0830 3  924.3871984  595161404612338 1    612339 1      C-13-H3C(O)CH3
  316359.6720  0.1287 -6.2163 3 1504.2690B44  595161404715616 0    715517 0      C-13-H3C(O)CH3
  316359.6720  0.1287 -6.2163 3 1504.2690B44  595161404715615 0    715516 0      C-13-H3C(O)CH3
  316360.0497  0.0020 -3.5173 3  159.9114456 -59516140428 623 0    27 522 0      C-13-H3C(O)CH3
  316360.0497  0.0020 -4.9207 3  159.9114456 -59516140428 523 0    27 522 0      C-13-H3C(O)CH3
  316360.0601  0.0020 -3.5173 3  159.9114456  59516140428 523 0    27 622 0      C-13-H3C(O)CH3
  316360.0601  0.0020 -4.9207 3  159.9114456  59516140428 623 0    27 622 0      C-13-H3C(O)CH3
  316361.0669  0.0248 -5.7831 3  924.3874984  595161404612438 2    612339 2      C-13-H3C(O)CH3
  316361.0669  0.0248 -5.7910 3  924.3874984  595161404612338 2    612339 2      C-13-H3C(O)CH3
  316361.0669  0.0248 -5.0744 3  924.3874984  595161404612438 2    612239 2      C-13-H3C(O)CH3
  316361.0669  0.0248 -5.0732 3  924.3874984  595161404612338 2    612239 2      C-13-H3C(O)CH3
  316370.7020  0.0191 -5.5132 3  253.9801488  595161404302110 2    2922 7 2      C-13-H3C(O)CH3
  316411.9446  0.0229 -5.3287 3  924.3921492  595161404612338 3    612239 3      C-13-H3C(O)CH3
  316411.9446  0.0229 -5.3287 3  924.3921492  595161404612438 3    612339 3      C-13-H3C(O)CH3
  316412.0827  0.0230 -5.3353 3  924.3921492  595161404612338 4    612239 4      C-13-H3C(O)CH3
  316412.0827  0.0230 -5.3353 3  924.3921492  595161404612438 4    612339 4      C-13-H3C(O)CH3
  316423.7702  0.0133 -5.0444 3   78.7327280  5951614041713 4 2    1612 5 2      C-13-H3C(O)CH3
  316424.9221  0.0141 -6.0989 3  257.8086488  5951614043022 9 1    301912 1      C-13-H3C(O)CH3
  316433.2887  0.0089 -6.2934 3   36.2271100  5951614041210 3 4    11 7 5 4      C-13-H3C(O)CH3
  316439.3101  0.0064 -5.9145 3   49.3686116  5951614041410 4 4    13 7 6 4      C-13-H3C(O)CH3
  316441.4217  0.0949 -5.8634 3  994.4477888  5951614045553 3 1    5552 4 1      C-13-H3C(O)CH3
  316504.2756  0.0199 -6.3777 3  257.7891244  5951614043022 9 3    301912 3      C-13-H3C(O)CH3
  316528.7362  0.0092 -4.9627 3  253.9958488  595161404302110 0    2922 7 0      C-13-H3C(O)CH3
  316542.6349  0.1193 -5.8630 3  994.4222888  5951614045553 3 2    5552 4 2      C-13-H3C(O)CH3
  316556.0321  0.0080 -4.9522 3  476.9588380  595161404471137 4    471038 4      C-13-H3C(O)CH3
  316556.0321  0.0080 -5.1408 3  476.9588380  595161404471137 4    47 938 4      C-13-H3C(O)CH3
  316556.0321  0.0080 -4.9522 3  476.9588380  595161404471037 4    47 938 4      C-13-H3C(O)CH3
  316556.0321  0.0080 -5.1408 3  476.9588380  595161404471037 4    471038 4      C-13-H3C(O)CH3
  316556.2771  0.0079 -4.7633 3  476.9588380  595161404471037 3    47 938 3      C-13-H3C(O)CH3
  316556.2771  0.0079 -5.9404 3  476.9588380  595161404471037 3    471038 3      C-13-H3C(O)CH3
  316556.2771  0.0079 -4.7633 3  476.9588380  595161404471137 3    471038 3      C-13-H3C(O)CH3
  316556.2771  0.0079 -5.9404 3  476.9588380  595161404471137 3    47 938 3      C-13-H3C(O)CH3
  316592.1997  0.0080 -4.4347 3  476.9866760  595161404471037 2    47 938 2      C-13-H3C(O)CH3
  316592.2138  0.0080 -4.4347 3  476.9866760 -595161404471137 2    471038 2      C-13-H3C(O)CH3
  316593.5841  0.0081 -4.7311 3  476.9872760 -595161404471037 1    471038 1      C-13-H3C(O)CH3
  316593.5841  0.0081 -4.7396 3  476.9872760 -595161404471137 1    471038 1      C-13-H3C(O)CH3
  316593.5901  0.0081 -4.7396 3  476.9872760  595161404471037 1    47 938 1      C-13-H3C(O)CH3
  316593.5901  0.0081 -4.7311 3  476.9872760  595161404471137 1    47 938 1      C-13-H3C(O)CH3
  316596.4399  0.1075 -5.8630 3  994.4485888  5951614045553 2 1    5552 3 1      C-13-H3C(O)CH3
  316629.3382  0.0064 -5.0631 3  477.0149760 -595161404471037 0    47 938 0      C-13-H3C(O)CH3
  316629.4524  0.1246 -6.1641 3  994.4651444  5951614045553 3 3    5552 4 3      C-13-H3C(O)CH3
  316629.4678  0.0064 -4.5505 3  477.0149760  595161404471137 0    47 938 0      C-13-H3C(O)CH3
  316629.4678  0.0064 -5.0631 3  477.0149760  595161404471137 0    471038 0      C-13-H3C(O)CH3
  316629.4678  0.0064 -4.5505 3  477.0149760  595161404471037 0    471038 0      C-13-H3C(O)CH3
  316650.5400  0.0985 -5.8630 3  994.4372888  5951614045553 2 2    5552 3 2      C-13-H3C(O)CH3
  316657.8936  0.0132 -5.1500 3   78.7245280  5951614041713 4 1    1612 5 1      C-13-H3C(O)CH3
  316664.3798  0.1175 -5.9634 3  698.7132404  595161404503218 3    502921 3      C-13-H3C(O)CH3
  316693.1661  0.0690 -5.6661 3  724.2396824  595161404513219 0    512922 0      C-13-H3C(O)CH3
  316737.5257  0.1131 -6.1641 3  994.4802444  5951614045553 2 4    5552 3 4      C-13-H3C(O)CH3
  316755.6335  0.0265 -6.0381 3  253.9377244  595161404302110 3    2922 7 3      C-13-H3C(O)CH3
  316784.5856  0.1533 -6.1637 3  994.4658444  5951614045553 3 4    5552 4 4      C-13-H3C(O)CH3
  316850.7708  0.0202 -6.5217 3  257.7891244  5951614043022 8 3    301912 3      C-13-H3C(O)CH3
  316893.1231  0.1231 -6.1637 3  994.4809444  5951614045553 2 3    5552 3 3      C-13-H3C(O)CH3
  316896.5387  0.0969 -5.8096 3 1169.4261984  5951614046154 7 2    6153 8 2      C-13-H3C(O)CH3
  316907.4376  0.0112 -5.1042 3  253.9801488  5951614043021 9 2    2922 7 2      C-13-H3C(O)CH3
  316910.3568  0.0115 -5.1047 3  253.9621488  595161404302110 2    2922 8 2      C-13-H3C(O)CH3
  316918.5788  0.2294 -6.8829 3 1790.0462660  595161404824141 4    824042 4      C-13-H3C(O)CH3
  316918.6517  0.2294 -6.8829 3 1790.0462660  595161404824241 4    824142 4      C-13-H3C(O)CH3
  316918.6548  0.2294 -6.8829 3 1790.0462660  595161404824141 3    824042 3      C-13-H3C(O)CH3
  316918.7277  0.2294 -6.8829 3 1790.0462660  595161404824241 3    824142 3      C-13-H3C(O)CH3
  316944.7746  0.1446 -5.9802 3  698.7135404  595161404503218 4    502921 4      C-13-H3C(O)CH3
  316946.7298  0.2494 -6.5818 3 1790.0429D20  595161404824141 1    824042 1      C-13-H3C(O)CH3
  316946.8082  0.2495 -6.5818 3 1790.0429D20  595161404824241 1    824142 1      C-13-H3C(O)CH3
  316947.4649  0.2378 -6.5819 3 1790.0458D20  595161404824141 2    824042 2      C-13-H3C(O)CH3
  316947.5263  0.2378 -6.5819 3 1790.0458D20  595161404824241 2    824142 2      C-13-H3C(O)CH3
  316951.9247  0.1091 -6.1107 3 1169.4503492  5951614046154 7 4    6153 8 4      C-13-H3C(O)CH3
  316968.8136  0.0951 -5.8095 3 1169.4104984  5951614046154 8 0    6153 8 0      C-13-H3C(O)CH3
  316968.8136  0.0951 -5.8095 3 1169.4104984  5951614046154 7 0    6153 9 0      C-13-H3C(O)CH3
  316970.8651  0.0945 -6.1107 3 1169.4311492  5951614046154 7 3    6153 8 3      C-13-H3C(O)CH3
  316975.4648  0.2516 -6.5817 3 1790.0425D20  595161404824141 0    824042 0      C-13-H3C(O)CH3
  316975.5310  0.2516 -6.5817 3 1790.0425D20  595161404824241 0    824142 0      C-13-H3C(O)CH3
  316979.7009  0.0079 -4.7335 3  448.6223372  59516140446 937 4    46 938 4      C-13-H3C(O)CH3
  316979.7009  0.0079 -4.7335 3  448.6223372  595161404461037 4    46 838 4      C-13-H3C(O)CH3
  316979.8018  0.0077 -5.2594 3  448.6223372 -595161404461037 3    46 838 3      C-13-H3C(O)CH3
  316979.8018  0.0079 -6.1795 3  448.6223372 -595161404461037 4    46 938 4      C-13-H3C(O)CH3
  316979.8018  0.0077 -5.2594 3  448.6223372 -59516140446 937 3    46 938 3      C-13-H3C(O)CH3
  316979.8018  0.0079 -6.1795 3  448.6223372 -59516140446 937 4    46 838 4      C-13-H3C(O)CH3
  316979.9979  0.0077 -4.8655 3  448.6223372  59516140446 937 3    46 838 3      C-13-H3C(O)CH3
  316979.9979  0.0077 -4.8655 3  448.6223372  595161404461037 3    46 938 3      C-13-H3C(O)CH3
  317001.2299  0.0113 -5.3416 3  253.9295244  595161404302110 3    2922 8 3      C-13-H3C(O)CH3
  317005.2420  0.0168 -6.0857 3  257.8062488  5951614043022 9 2    301912 2      C-13-H3C(O)CH3
  317015.1758  0.0093 -4.9612 3  253.9955488  5951614043021 9 0    2922 8 0      C-13-H3C(O)CH3
  317024.7990  0.0909 -5.8095 3 1169.4347984  5951614046154 7 1    6153 8 1      C-13-H3C(O)CH3
  317040.5653  0.0092 -5.0029 3  253.9452488  595161404302110 1    2922 8 1      C-13-H3C(O)CH3
  317041.4768  0.0633 -5.6661 3  724.2259824  595161404513219 1    512922 1      C-13-H3C(O)CH3
  317042.7539  0.0839 -5.8095 3 1169.4154984  5951614046154 8 1    6153 9 1      C-13-H3C(O)CH3
  317049.9896  0.0079 -4.8109 3  448.6472744 -595161404461037 2    46 938 2      C-13-H3C(O)CH3
  317049.9896  0.0079 -4.8109 3  448.6472744 -59516140446 937 2    46 838 2      C-13-H3C(O)CH3
  317050.0031  0.0079 -4.6415 3  448.6472744  59516140446 937 2    46 938 2      C-13-H3C(O)CH3
  317050.0031  0.0079 -4.6415 3  448.6472744  595161404461037 2    46 838 2      C-13-H3C(O)CH3
  317051.4274  0.0080 -5.2032 3  448.6477744  59516140446 937 1    46 938 1      C-13-H3C(O)CH3
  317051.4274  0.0080 -5.2032 3  448.6477744  595161404461037 1    46 838 1      C-13-H3C(O)CH3
  317051.5031  0.0080 -4.4946 3  448.6477744 -595161404461037 1    46 938 1      C-13-H3C(O)CH3
  317051.5031  0.0080 -4.4946 3  448.6477744 -59516140446 937 1    46 838 1      C-13-H3C(O)CH3
  317055.5778  0.0888 -5.8094 3 1169.4019984  5951614046154 8 2    6153 9 2      C-13-H3C(O)CH3
  317091.1151  0.0131 -5.2857 3  253.9557244  5951614043021 9 4    2922 7 4      C-13-H3C(O)CH3
  317091.5432  0.1294 -6.2749 3 1330.6329532  595161404665511 4    665412 4      C-13-H3C(O)CH3
  317102.0862  0.0139 -6.1889 3  257.8086488  5951614043022 8 1    301912 1      C-13-H3C(O)CH3
  317111.6548  0.0973 -6.1104 3 1169.4261492  5951614046154 8 3    6153 9 3      C-13-H3C(O)CH3
  317116.9366  0.0095 -5.0018 3  253.9714488  5951614043021 9 1    2922 7 1      C-13-H3C(O)CH3
  317121.3220  0.0067 -5.3255 3  448.6726744 -595161404461037 0    46 938 0      C-13-H3C(O)CH3
  317121.3220  0.0067 -5.3255 3  448.6726744 -59516140446 937 0    46 838 0      C-13-H3C(O)CH3
  317121.3334  0.0067 -4.4740 3  448.6726744  59516140446 937 0    46 938 0      C-13-H3C(O)CH3
  317121.3334  0.0067 -4.4740 3  448.6726744  595161404461037 0    46 838 0      C-13-H3C(O)CH3
  317129.9289  0.1042 -6.1104 3 1169.4069492  5951614046154 8 4    6153 9 4      C-13-H3C(O)CH3
  317134.2997  0.0680 -5.6663 3  724.2211824  595161404513219 2    512922 2      C-13-H3C(O)CH3
  317156.0414  0.3167 -6.6613 3 1774.7954C56  595161404785820 1    785721 1      C-13-H3C(O)CH3
  317182.9856  0.1200 -5.9736 3 1330.6180A64  595161404665511 2    665412 2      C-13-H3C(O)CH3
  317191.2397  0.0208 -6.4833 3  257.7889244  5951614043022 8 4    301912 4      C-13-H3C(O)CH3
  317200.0668  0.1234 -6.2747 3 1330.5979532  595161404665511 3    665412 3      C-13-H3C(O)CH3
  317204.8904  0.0163 -4.9675 3  887.8903968  595161404602238 0    602239 0      C-13-H3C(O)CH3
  317204.8904  0.0163 -4.9675 3  887.8903968  595161404602338 0    602139 0      C-13-H3C(O)CH3
  317220.9357  0.1186 -6.2746 3 1330.5892532  595161404665512 3    665413 3      C-13-H3C(O)CH3
  317228.9388  0.0108 -5.8416 3  257.8257488  5951614043022 9 0    301912 0      C-13-H3C(O)CH3
  317235.1499  0.1042 -5.9812 3  968.6993872  5951614045453 2 0    5452 2 0      C-13-H3C(O)CH3
  317235.1499  0.1042 -5.9812 3  968.6993872  5951614045453 1 0    5452 3 0      C-13-H3C(O)CH3
  317263.1413  0.0189 -5.0134 3  887.8916968  595161404602238 1    602139 1      C-13-H3C(O)CH3
  317263.1413  0.0189 -5.9633 3  887.8916968  595161404602338 1    602139 1      C-13-H3C(O)CH3
  317263.1413  0.0189 -5.9633 3  887.8916968  595161404602238 1    602239 1      C-13-H3C(O)CH3
  317263.1413  0.0189 -5.0134 3  887.8916968  595161404602338 1    602239 1      C-13-H3C(O)CH3
  317266.0741  0.0224 -5.3803 3  887.8918968  595161404602338 2    602139 2      C-13-H3C(O)CH3
  317266.0741  0.0224 -5.3803 3  887.8918968  595161404602238 2    602239 2      C-13-H3C(O)CH3
  317266.0741  0.0224 -5.1793 3  887.8918968  595161404602238 2    602139 2      C-13-H3C(O)CH3
  317266.0741  0.0224 -5.1793 3  887.8918968  595161404602338 2    602239 2      C-13-H3C(O)CH3
  317273.3947  0.2705 -6.6609 3 1774.7456C56  595161404785821 1    785722 1      C-13-H3C(O)CH3
  317273.8969  0.1097 -5.9735 3 1330.6152A64  595161404665511 1    665412 1      C-13-H3C(O)CH3
  317286.2569  0.3298 -6.6610 3 1774.7925C56  595161404785820 2    785721 2      C-13-H3C(O)CH3
  317291.0133  0.1241 -6.3748 3 1518.9022612  595161404763640 4    763541 4      C-13-H3C(O)CH3
  317291.0150  0.1241 -6.3748 3 1518.9022612  595161404763740 4    763641 4      C-13-H3C(O)CH3
  317291.0643  0.1241 -6.3748 3 1518.9022612  595161404763640 3    763541 3      C-13-H3C(O)CH3
  317291.0660  0.1241 -6.3748 3 1518.9022612  595161404763740 3    763641 3      C-13-H3C(O)CH3
  317308.8155  0.2458 -6.6609 3 1774.7545C56  595161404785821 2    785722 2      C-13-H3C(O)CH3
  317308.9386  0.1059 -5.9813 3  968.7494872  5951614045453 2 1    5452 2 1      C-13-H3C(O)CH3
  317312.0843  0.1077 -5.9734 3 1330.5742A64  595161404665512 2    665413 2      C-13-H3C(O)CH3
  317320.2964  0.0020 -3.7784 3  163.8525236  59516140429 425 3    28 424 3      C-13-H3C(O)CH3
  317320.2964  0.0020 -5.2710 3  163.8525236  59516140429 525 3    28 424 3      C-13-H3C(O)CH3
  317320.3086  0.0020 -3.8113 3  163.8526236  59516140429 525 4    28 424 4      C-13-H3C(O)CH3
  317320.3086  0.0020 -4.7570 3  163.8526236  59516140429 425 4    28 424 4      C-13-H3C(O)CH3
  317320.3240  0.0020 -5.2710 3  163.8525236 -59516140429 425 3    28 524 3      C-13-H3C(O)CH3
  317320.3240  0.0020 -3.8113 3  163.8526236 -59516140429 425 4    28 524 4      C-13-H3C(O)CH3
  317320.3240  0.0020 -3.7784 3  163.8525236 -59516140429 525 3    28 524 3      C-13-H3C(O)CH3
  317320.3240  0.0020 -4.7570 3  163.8526236 -59516140429 525 4    28 524 4      C-13-H3C(O)CH3
  317322.0049  0.1341 -6.0737 3 1518.8871C24  595161404763640 1    763541 1      C-13-H3C(O)CH3
  317322.0067  0.1341 -6.0737 3 1518.8871C24  595161404763740 1    763641 1      C-13-H3C(O)CH3
  317324.4173  0.0204 -5.3337 3  887.8930484  595161404602238 3    602239 3      C-13-H3C(O)CH3
  317324.4173  0.0204 -5.2709 3  887.8930484  595161404602338 3    602139 3      C-13-H3C(O)CH3
  317324.4173  0.0204 -6.1208 3  887.8930484  595161404602338 3    602239 3      C-13-H3C(O)CH3
  317324.5635  0.0205 -5.9316 3  887.8930484  595161404602338 4    602139 4      C-13-H3C(O)CH3
  317324.5635  0.0205 -5.3743 3  887.8930484  595161404602338 4    602239 4      C-13-H3C(O)CH3
  317324.5635  0.0205 -6.2186 3  887.8930484  595161404602238 4    602239 4      C-13-H3C(O)CH3
  317324.5635  0.0205 -5.3197 3  887.8930484  595161404602238 4    602139 4      C-13-H3C(O)CH3
  317324.6089  0.1286 -6.0739 3 1518.8902C24  595161404763640 2    763541 2      C-13-H3C(O)CH3
  317324.6102  0.1286 -6.0739 3 1518.8902C24  595161404763740 2    763641 2      C-13-H3C(O)CH3
  317329.0197  0.1352 -6.2744 3 1330.5542532  595161404665512 4    665413 4      C-13-H3C(O)CH3
  317337.7804  0.0113 -5.2861 3  253.9115244  595161404302110 4    2922 8 4      C-13-H3C(O)CH3
  317340.7901  0.0160 -6.2110 3  257.8062488  5951614043022 8 2    301912 2      C-13-H3C(O)CH3
  317352.4157  0.0574 -5.8436 3 1226.2853556  595161404693139 3    693040 3      C-13-H3C(O)CH3
  317352.4157  0.0574 -5.8436 3 1226.2853556  595161404693039 3    692940 3      C-13-H3C(O)CH3
  317352.4445  0.0575 -5.8436 3 1226.2854556  595161404693139 4    693040 4      C-13-H3C(O)CH3
  317352.4445  0.0575 -5.8436 3 1226.2854556  595161404693039 4    692940 4      C-13-H3C(O)CH3
  317355.5209  0.1355 -6.0735 3 1518.8751C24  595161404763640 0    763541 0      C-13-H3C(O)CH3
  317355.5223  0.1355 -6.0735 3 1518.8751C24  595161404763740 0    763641 0      C-13-H3C(O)CH3
  317355.5741  0.0531 -5.5426 3 1226.2653B12  595161404693039 1    692940 1      C-13-H3C(O)CH3
  317355.5741  0.0531 -5.5426 3 1226.2653B12  595161404693139 1    693040 1      C-13-H3C(O)CH3
  317360.2135  0.0569 -5.5428 3 1226.2672B12  595161404693039 2    692940 2      C-13-H3C(O)CH3
  317360.2135  0.0569 -5.5428 3 1226.2672B12  595161404693139 2    693040 2      C-13-H3C(O)CH3
  317363.4065  0.0527 -5.5425 3 1226.2473B12  595161404693039 0    692940 0      C-13-H3C(O)CH3
  317363.4065  0.0527 -5.5425 3 1226.2473B12  595161404693139 0    693040 0      C-13-H3C(O)CH3
  317364.6109  0.1068 -5.9733 3 1330.6002A64  595161404665512 0    665412 0      C-13-H3C(O)CH3
  317364.6109  0.1068 -5.9733 3 1330.6002A64  595161404665511 0    665413 0      C-13-H3C(O)CH3
  317367.8196  0.0023 -3.4782 3  163.8289472 -59516140429 525 1    28 424 1      C-13-H3C(O)CH3
  317367.8196  0.0023 -3.4782 3  163.8289472 -59516140429 425 1    28 524 1      C-13-H3C(O)CH3
  317367.8838  0.0023 -4.9434 3  163.8289472  59516140429 525 1    28 524 1      C-13-H3C(O)CH3
  317367.8838  0.0023 -4.9434 3  163.8289472  59516140429 425 1    28 424 1      C-13-H3C(O)CH3
  317368.2238  0.0023 -3.4639 3  163.8283472 -59516140429 425 2    28 424 2      C-13-H3C(O)CH3
  317368.2238  0.0023 -3.4639 3  163.8283472 -59516140429 525 2    28 524 2      C-13-H3C(O)CH3
  317368.2386  0.0023 -6.6182 3  163.8283472  59516140429 425 2    28 524 2      C-13-H3C(O)CH3
  317368.2386  0.0023 -6.6182 3  163.8283472  59516140429 525 2    28 424 2      C-13-H3C(O)CH3
  317373.4643  0.0081 -4.7295 3  420.8756364  59516140445 937 4    45 738 4      C-13-H3C(O)CH3
  317373.4643  0.0081 -6.0161 3  420.8756364  59516140445 937 4    45 838 4      C-13-H3C(O)CH3
  317373.4643  0.0081 -6.0161 3  420.8756364  59516140445 837 4    45 738 4      C-13-H3C(O)CH3
  317373.4643  0.0081 -4.7295 3  420.8756364  59516140445 837 4    45 838 4      C-13-H3C(O)CH3
  317373.7996  0.0078 -4.7211 3  420.8756364  59516140445 837 3    45 838 3      C-13-H3C(O)CH3
  317373.7996  0.0078 -6.2222 3  420.8756364  59516140445 837 3    45 738 3      C-13-H3C(O)CH3
  317373.7996  0.0078 -6.2222 3  420.8756364  59516140445 937 3    45 838 3      C-13-H3C(O)CH3
  317373.7996  0.0078 -4.7211 3  420.8756364  59516140445 937 3    45 738 3      C-13-H3C(O)CH3
  317381.7632  0.1036 -5.9733 3 1330.5802A64  595161404665512 1    665413 1      C-13-H3C(O)CH3
  317415.7105  0.0020 -3.5204 3  163.8048472  59516140429 425 0    28 424 0      C-13-H3C(O)CH3
  317415.7105  0.0020 -4.3736 3  163.8048472  59516140429 525 0    28 424 0      C-13-H3C(O)CH3
  317415.7198  0.0020 -4.3736 3  163.8048472 -59516140429 425 0    28 524 0      C-13-H3C(O)CH3
  317415.7198  0.0020 -3.5204 3  163.8048472 -59516140429 525 0    28 524 0      C-13-H3C(O)CH3
  317431.8937  0.0114 -5.3399 3  253.9377244  5951614043021 9 3    2922 7 3      C-13-H3C(O)CH3
  317436.0125  0.0451 -5.9660 3  724.2073412  595161404513219 3    512922 3      C-13-H3C(O)CH3
  317440.6274  0.2930 -6.6607 3 1774.7879C56  595161404785820 0    785721 0      C-13-H3C(O)CH3
  317440.6277  0.2930 -6.6607 3 1774.7879C56  595161404785821 0    785722 0      C-13-H3C(O)CH3
  317447.0924  0.0196 -5.5102 3  253.9621488  5951614043021 9 2    2922 8 2      C-13-H3C(O)CH3
  317483.6386  0.0076 -4.4360 3  420.8960728 -59516140445 837 2    45 738 2      C-13-H3C(O)CH3
  317483.6386  0.0076 -4.4360 3  420.8960728 -59516140445 937 2    45 838 2      C-13-H3C(O)CH3
  317483.6455  0.0076 -5.5843 3  420.8960728  59516140445 837 2    45 838 2      C-13-H3C(O)CH3
  317483.6455  0.0076 -5.5843 3  420.8960728  59516140445 937 2    45 738 2      C-13-H3C(O)CH3
  317485.0487  0.0078 -5.3833 3  420.8965728  59516140445 837 1    45 738 1      C-13-H3C(O)CH3
  317485.0487  0.0078 -4.4269 3  420.8965728  59516140445 937 1    45 838 1      C-13-H3C(O)CH3
  317485.0487  0.0078 -4.4546 3  420.8965728  59516140445 937 1    45 738 1      C-13-H3C(O)CH3
  317485.0487  0.0078 -5.7392 3  420.8965728  59516140445 837 1    45 838 1      C-13-H3C(O)CH3
  317491.3372  0.1358 -5.9807 3  968.7194872  5951614045453 2 2    5452 3 2      C-13-H3C(O)CH3
  317507.6292  0.1216 -5.9808 3  968.7485872  5951614045453 1 1    5452 3 1      C-13-H3C(O)CH3
  317543.9454  0.0169 -6.3274 3  608.0898776  595161404482325 1    472622 1      C-13-H3C(O)CH3
  317546.9712  0.0139 -6.3275 3  608.1035776  595161404482325 0    472622 0      C-13-H3C(O)CH3
  317552.3202  0.0618 -5.9690 3  724.2074412  595161404513219 4    512922 4      C-13-H3C(O)CH3
  317566.6134  0.1392 -6.2819 3  968.7695436  5951614045453 2 3    5452 3 3      C-13-H3C(O)CH3
  317568.1435  0.1113 -5.9808 3  968.7426872  5951614045453 1 2    5452 2 2      C-13-H3C(O)CH3
  317581.5848  0.0212 -6.6268 3  608.0730388  595161404482325 3    472622 3      C-13-H3C(O)CH3
  317582.0005  0.0213 -6.6268 3  608.0730388  595161404482325 4    472622 4      C-13-H3C(O)CH3
  317585.1409  0.0199 -6.3258 3  608.0867776  595161404482325 2    472622 2      C-13-H3C(O)CH3
  317594.6522  0.0068 -4.5030 3  420.9168728 -59516140445 937 0    45 838 0      C-13-H3C(O)CH3
  317594.6522  0.0068 -4.5030 3  420.9168728 -59516140445 837 0    45 738 0      C-13-H3C(O)CH3
  317594.7265  0.0068 -5.1039 3  420.9168728  59516140445 837 0    45 838 0      C-13-H3C(O)CH3
  317594.7265  0.0068 -5.1039 3  420.9168728  59516140445 937 0    45 738 0      C-13-H3C(O)CH3
  317636.2090  0.0261 -6.6481 3  243.3163236  5951614042922 8 4    291910 4      C-13-H3C(O)CH3
  317642.5828  0.0056 -5.0920 3  212.2501228  595161404281712 4    2718 9 4      C-13-H3C(O)CH3
  317643.6123  0.1234 -6.2819 3  968.7927436  5951614045453 1 4    5452 2 4      C-13-H3C(O)CH3
  317677.4901  0.0262 -6.0355 3  253.9295244  5951614043021 9 3    2922 8 3      C-13-H3C(O)CH3
  317712.2905  0.0041 -4.7763 3  212.2590456  595161404281712 2    2718 9 2      C-13-H3C(O)CH3
  317738.3568  0.0087 -4.7092 3  393.7197356  59516140444 737 4    44 738 4      C-13-H3C(O)CH3
  317738.3568  0.0087 -6.7157 3  393.7197356  59516140444 837 4    44 738 4      C-13-H3C(O)CH3
  317738.3568  0.0087 -4.7092 3  393.7197356  59516140444 837 4    44 638 4      C-13-H3C(O)CH3
  317738.3568  0.0087 -6.7157 3  393.7197356  59516140444 737 4    44 638 4      C-13-H3C(O)CH3
  317738.7080  0.0083 -4.7050 3  393.7197356  59516140444 737 3    44 738 3      C-13-H3C(O)CH3
  317738.7080  0.0083 -4.7050 3  393.7197356  59516140444 837 3    44 638 3      C-13-H3C(O)CH3
  317742.9652  0.0023 -5.3581 3   85.3914148  5951614041812 6 4    1711 6 4      C-13-H3C(O)CH3
  317766.0716  0.1727 -6.2814 3  968.7685436  5951614045453 2 4    5452 3 4      C-13-H3C(O)CH3
  317767.0191  0.0051 -5.0791 3  212.2462228  595161404281712 3    2718 9 3      C-13-H3C(O)CH3
  317774.4054  0.0044 -4.7828 3  212.2616456  595161404281712 1    2718 9 1      C-13-H3C(O)CH3
  317783.5871  0.0036 -4.7744 3  212.2724456  595161404281712 0    2718 9 0      C-13-H3C(O)CH3
  317843.2778  0.1369 -6.2815 3  968.7918436  5951614045453 1 3    5452 2 3      C-13-H3C(O)CH3
  317849.6116  0.0023 -5.5410 3   85.3622296  5951614041812 6 1    1711 6 1      C-13-H3C(O)CH3
  317882.8281  0.0089 -6.0352 3   36.1788200  5951614041210 3 1    11 7 5 1      C-13-H3C(O)CH3
  317892.5588  0.0024 -5.7091 3   85.3565296  5951614041812 6 2    1711 6 2      C-13-H3C(O)CH3
  317894.4220  0.0074 -4.5281 3  393.7339712 -59516140444 737 2    44 638 2      C-13-H3C(O)CH3
  317894.4220  0.0074 -4.5281 3  393.7339712 -59516140444 837 2    44 738 2      C-13-H3C(O)CH3
  317894.4562  0.0074 -5.0061 3  393.7339712  59516140444 737 2    44 738 2      C-13-H3C(O)CH3
  317894.4562  0.0074 -5.0061 3  393.7339712  59516140444 837 2    44 638 2      C-13-H3C(O)CH3
  317895.7893  0.0077 -5.6551 3  393.7344712  59516140444 737 1    44 738 1      C-13-H3C(O)CH3
  317895.7893  0.0077 -5.6551 3  393.7344712  59516140444 837 1    44 638 1      C-13-H3C(O)CH3
  317895.9830  0.0077 -4.4285 3  393.7344712 -59516140444 837 1    44 738 1      C-13-H3C(O)CH3
  317895.9830  0.0077 -4.4285 3  393.7344712 -59516140444 737 1    44 638 1      C-13-H3C(O)CH3
  317900.9812  0.1883 -6.4700 3 1470.6499564  595161404705614 4    705515 4      C-13-H3C(O)CH3
  317901.8340  0.0183 -6.0010 3  253.9452488  5951614043021 9 1    2922 8 1      C-13-H3C(O)CH3
  317917.4985  0.2760 -6.7010 3 1618.6928596  595161404745717 4    745618 4      C-13-H3C(O)CH3
  317966.9755  0.2077 -6.7008 3 1618.6463596  595161404745718 3    745618 3      C-13-H3C(O)CH3
  317990.6123  0.1521 -6.4698 3 1470.6009564  595161404705615 3    705516 3      C-13-H3C(O)CH3
  318043.7218  0.1769 -6.4697 3 1470.6057564  595161404705614 3    705515 3      C-13-H3C(O)CH3
  318044.4450  0.0142 -6.3260 3  608.0869776  595161404482425 0    472522 0      C-13-H3C(O)CH3
  318048.8300  0.0384 -6.5860 3  460.9977616  5951614043835 3 1    3736 1 1      C-13-H3C(O)CH3
  318051.2829  0.0069 -4.4147 3  393.7485712  59516140444 737 0    44 638 0      C-13-H3C(O)CH3
  318051.2829  0.0069 -5.9761 3  393.7485712  59516140444 837 0    44 638 0      C-13-H3C(O)CH3
  318051.3234  0.0069 -5.9761 3  393.7485712 -59516140444 737 0    44 738 0      C-13-H3C(O)CH3
  318051.3234  0.0069 -4.4147 3  393.7485712 -59516140444 837 0    44 738 0      C-13-H3C(O)CH3
  318056.9825  0.0150 -5.0381 3  851.9726952  595161404592138 0    592139 0      C-13-H3C(O)CH3
  318056.9825  0.0150 -5.0381 3  851.9726952  595161404592238 0    592039 0      C-13-H3C(O)CH3
  318056.9825  0.0150 -5.5001 3  851.9726952  595161404592238 0    592139 0      C-13-H3C(O)CH3
  318056.9825  0.0150 -5.5001 3  851.9726952  595161404592138 0    592039 0      C-13-H3C(O)CH3
  318057.8843  0.0166 -6.3259 3  608.0727776  595161404482425 1    472522 1      C-13-H3C(O)CH3
  318059.3570  0.1189 -6.2250 3  943.4867856  5951614045353 0 0    5352 2 0      C-13-H3C(O)CH3
  318059.3570  0.1189 -6.2250 3  943.4867856  5951614045353 1 0    5352 1 0      C-13-H3C(O)CH3
  318062.9843  0.2488 -6.7006 3 1618.6433596  595161404745717 3    745619 3      C-13-H3C(O)CH3
  318073.2055  0.0449 -6.8884 3  460.9815308  5951614043835 3 4    3736 1 4      C-13-H3C(O)CH3
  318075.3837  0.0098 -4.7124 3  367.1557348  59516140443 737 4    43 538 4      C-13-H3C(O)CH3
  318075.3837  0.0098 -4.7124 3  367.1557348  59516140443 637 4    43 638 4      C-13-H3C(O)CH3
  318075.7172  0.0092 -4.9590 3  367.1557348  59516140443 737 3    43 538 3      C-13-H3C(O)CH3
  318075.7172  0.0092 -5.0757 3  367.1557348  59516140443 637 3    43 538 3      C-13-H3C(O)CH3
  318075.7172  0.0092 -4.9590 3  367.1557348  59516140443 637 3    43 638 3      C-13-H3C(O)CH3
  318075.7172  0.0092 -5.0757 3  367.1557348  59516140443 737 3    43 638 3      C-13-H3C(O)CH3
  318084.1533  0.1659 -6.1686 3 1470.6397B28  595161404705614 2    705515 2      C-13-H3C(O)CH3
  318085.0385  0.4359 -6.8798 3 1899.8050D04  595161404815922 1    815823 1      C-13-H3C(O)CH3
  318107.6712  0.0216 -6.3242 3  608.0694776  595161404482425 2    472522 2      C-13-H3C(O)CH3
  318108.0238  0.1458 -6.1686 3 1470.6334B28  595161404705614 1    705515 1      C-13-H3C(O)CH3
  318110.5794  0.2081 -6.3995 3 1618.6805B92  595161404745717 1    745618 1      C-13-H3C(O)CH3
  318112.3813  0.1964 -6.7004 3 1618.5969596  595161404745718 4    745619 4      C-13-H3C(O)CH3
  318117.0672  0.1188 -6.2252 3  943.5439856  5951614045353 1 1    5352 1 1      C-13-H3C(O)CH3
  318120.9296  0.0231 -6.6251 3  608.0551388  595161404482425 4    472522 4      C-13-H3C(O)CH3
  318121.5682  0.0230 -6.6251 3  608.0551388  595161404482425 3    472522 3      C-13-H3C(O)CH3
  318121.7685  0.0174 -6.3010 3  851.9703952  595161404592238 1    592139 1      C-13-H3C(O)CH3
  318121.7685  0.0174 -6.3010 3  851.9703952  595161404592138 1    592039 1      C-13-H3C(O)CH3
  318121.7685  0.0174 -4.9271 3  851.9703952  595161404592238 1    592039 1      C-13-H3C(O)CH3
  318121.7685  0.0174 -4.9271 3  851.9703952  595161404592138 1    592139 1      C-13-H3C(O)CH3
  318124.2587  0.0203 -4.9091 3  851.9703952  595161404592238 2    592139 2      C-13-H3C(O)CH3
  318124.2587  0.0203 -4.9091 3  851.9703952  595161404592138 2    592039 2      C-13-H3C(O)CH3
  318128.4963  0.0165 -6.3316 3  243.3336472  5951614042922 8 1    291910 1      C-13-H3C(O)CH3
  318133.0707  0.1654 -6.4695 3 1470.5567564  595161404705615 4    705516 4      C-13-H3C(O)CH3
  318141.7735  0.0100 -6.0435 3   36.1783200  5951614041210 3 2    11 7 5 2      C-13-H3C(O)CH3
  318142.6629  0.1001 -5.8030 3 1140.7703968  5951614046054 6 2    6053 7 2      C-13-H3C(O)CH3
  318167.4696  0.2345 -6.3994 3 1618.6848B92  595161404745717 2    745618 2      C-13-H3C(O)CH3
  318170.2592  0.0955 -5.8029 3 1140.7553968  5951614046054 6 0    6053 7 0      C-13-H3C(O)CH3
  318170.2592  0.0955 -5.8029 3 1140.7553968  5951614046054 7 0    6053 8 0      C-13-H3C(O)CH3
  318173.7063  0.1276 -6.1684 3 1470.5906B28  595161404705615 2    705516 2      C-13-H3C(O)CH3
  318180.3401  0.3631 -6.8795 3 1899.7588D04  595161404815923 1    815824 1      C-13-H3C(O)CH3
  318189.1416  0.0183 -5.2099 3  851.9679476  595161404592238 3    592139 3      C-13-H3C(O)CH3
  318189.1416  0.0183 -5.2099 3  851.9679476  595161404592138 3    592039 3      C-13-H3C(O)CH3
  318189.2920  0.0184 -5.3110 3  851.9679476  595161404592238 4    592039 4      C-13-H3C(O)CH3
  318189.2920  0.0184 -5.8924 3  851.9679476  595161404592238 4    592139 4      C-13-H3C(O)CH3
  318189.2920  0.0184 -5.3110 3  851.9679476  595161404592138 4    592139 4      C-13-H3C(O)CH3
  318189.2920  0.0184 -5.8924 3  851.9679476  595161404592138 4    592039 4      C-13-H3C(O)CH3
  318193.2525  0.0232 -6.6302 3  243.3157236  5951614042922 8 3    291910 3      C-13-H3C(O)CH3
  318216.9745  0.1659 -6.3992 3 1618.6383B92  595161404745718 2    745619 2      C-13-H3C(O)CH3
  318224.1592  0.0984 -6.1040 3 1140.7817484  5951614046054 7 3    6053 7 3      C-13-H3C(O)CH3
  318236.7643  0.1162 -6.1039 3 1140.7975484  5951614046054 6 4    6053 7 4      C-13-H3C(O)CH3
  318250.1346  0.4273 -6.8795 3 1899.7953D04  595161404815922 2    815823 2      C-13-H3C(O)CH3
  318250.4606  0.1351 -6.1683 3 1470.5892B28  595161404705615 1    705516 1      C-13-H3C(O)CH3
  318251.1602  0.0852 -5.8029 3 1140.7668968  5951614046054 7 1    6053 8 1      C-13-H3C(O)CH3
  318256.0507  0.1865 -6.3992 3 1618.6311B92  595161404745718 1    745619 1      C-13-H3C(O)CH3
  318264.7139  0.0932 -5.8028 3 1140.7826968  5951614046054 6 1    6053 7 1      C-13-H3C(O)CH3
  318268.6836  0.0069 -6.3431 3  164.1901204  595161404251312 3    251015 3      C-13-H3C(O)CH3
  318273.8668  0.3367 -6.8794 3 1899.7663D04  595161404815923 2    815824 2      C-13-H3C(O)CH3
  318274.1590  0.0088 -6.3431 3  164.1901204  595161404251312 4    251015 4      C-13-H3C(O)CH3
  318283.6875  0.0075 -4.4832 3  367.1617696 -59516140443 637 2    43 538 2      C-13-H3C(O)CH3
  318283.6875  0.0075 -4.4832 3  367.1617696 -59516140443 737 2    43 638 2      C-13-H3C(O)CH3
  318283.6986  0.0075 -5.2238 3  367.1617696  59516140443 737 2    43 538 2      C-13-H3C(O)CH3
  318283.6986  0.0075 -5.2238 3  367.1617696  59516140443 637 2    43 638 2      C-13-H3C(O)CH3
  318284.8481  0.0081 -4.4667 3  367.1622696 -59516140443 637 1    43 538 1      C-13-H3C(O)CH3
  318284.8481  0.0081 -4.4667 3  367.1622696 -59516140443 737 1    43 638 1      C-13-H3C(O)CH3
  318284.9209  0.0081 -5.3286 3  367.1622696  59516140443 737 1    43 538 1      C-13-H3C(O)CH3
  318284.9209  0.0081 -5.3286 3  367.1622696  59516140443 637 1    43 638 1      C-13-H3C(O)CH3
  318290.7609  0.1230 -6.1682 3 1470.6232B28  595161404705615 0    705515 0      C-13-H3C(O)CH3
  318290.7609  0.1230 -6.1682 3 1470.6232B28  595161404705614 0    705516 0      C-13-H3C(O)CH3
  318299.9205  0.0887 -5.8028 3 1140.7526968  5951614046054 7 2    6053 8 2      C-13-H3C(O)CH3
  318300.1554  0.0191 -5.9647 3   78.7135140  5951614041713 4 4    1612 5 4      C-13-H3C(O)CH3
  318307.9018  0.0065 -6.0397 3  164.1885408  595161404251312 2    251015 2      C-13-H3C(O)CH3
  318321.4161  0.0355 -6.5843 3  460.9872616  5951614043835 4 0    3736 2 0      C-13-H3C(O)CH3
  318321.4161  0.0355 -6.5843 3  460.9872616  5951614043835 3 0    3736 1 0      C-13-H3C(O)CH3
  318345.8891  0.0379 -6.5856 3  460.9711616  5951614043835 3 2    3736 1 2      C-13-H3C(O)CH3
  318360.4181  0.1739 -6.3990 3 1618.6726B92  595161404745717 0    745618 0      C-13-H3C(O)CH3
  318360.4181  0.1739 -6.3990 3 1618.6726B92  595161404745718 0    745619 0      C-13-H3C(O)CH3
  318361.1017  0.1388 -6.2246 3  943.5419856  5951614045353 0 1    5352 2 1      C-13-H3C(O)CH3
  318369.1881  0.0126 -6.1457 3  536.7514728  595161404452323 0    442420 0      C-13-H3C(O)CH3
  318371.2781  0.0093 -6.6114 3   36.2296100  5951614041210 3 3    11 7 5 3      C-13-H3C(O)CH3
  318373.7075  0.4226 -6.8793 3 1899.7994D04  595161404815922 0    815823 0      C-13-H3C(O)CH3
  318373.7098  0.4226 -6.8793 3 1899.7994D04  595161404815923 0    815824 0      C-13-H3C(O)CH3
  318381.4308  0.1040 -6.1038 3 1140.7640484  5951614046054 7 4    6053 8 4      C-13-H3C(O)CH3
  318382.4771  0.0142 -6.1458 3  536.7323728  595161404452323 1    442420 1      C-13-H3C(O)CH3
  318385.5279  0.0114 -6.8631 3  341.1845340  59516140442 537 4    42 438 4      C-13-H3C(O)CH3
  318385.5279  0.0114 -4.7365 3  341.1845340  59516140442 537 4    42 538 4      C-13-H3C(O)CH3
  318385.5279  0.0114 -6.8631 3  341.1845340  59516140442 637 4    42 538 4      C-13-H3C(O)CH3
  318385.5279  0.0114 -4.7365 3  341.1845340  59516140442 637 4    42 438 4      C-13-H3C(O)CH3
  318385.7973  0.0107 -4.7900 3  341.1845340  59516140442 537 3    42 538 3      C-13-H3C(O)CH3
  318385.7973  0.0107 -5.6451 3  341.1845340  59516140442 537 3    42 438 3      C-13-H3C(O)CH3
  318385.7973  0.0107 -4.9965 3  341.1845340  59516140442 637 3    42 538 3      C-13-H3C(O)CH3
  318385.7973  0.0107 -5.0756 3  341.1845340  59516140442 637 3    42 438 3      C-13-H3C(O)CH3
  318388.8361  0.1560 -6.2245 3  943.5105856  5951614045353 1 2    5352 2 2      C-13-H3C(O)CH3
  318394.7701  0.1000 -6.1037 3 1140.7799484  5951614046054 6 3    6053 8 3      C-13-H3C(O)CH3
  318402.6684  0.0022 -5.0654 3  167.2133244  59516140430 327 3    29 326 3      C-13-H3C(O)CH3
  318402.6684  0.0022 -5.0654 3  167.2133244  59516140430 427 3    29 426 3      C-13-H3C(O)CH3
  318402.6891  0.0022 -5.7692 3  167.2134244  59516140430 427 4    29 426 4      C-13-H3C(O)CH3
  318402.6891  0.0022 -5.7692 3  167.2134244  59516140430 327 4    29 326 4      C-13-H3C(O)CH3
  318402.7003  0.0022 -3.7341 3  167.2134244 -59516140430 427 4    29 326 4      C-13-H3C(O)CH3
  318402.7003  0.0022 -3.7507 3  167.2133244 -59516140430 427 3    29 326 3      C-13-H3C(O)CH3
  318402.7003  0.0022 -3.7341 3  167.2134244 -59516140430 327 4    29 426 4      C-13-H3C(O)CH3
  318402.7003  0.0022 -3.7507 3  167.2133244 -59516140430 327 3    29 426 3      C-13-H3C(O)CH3
  318417.6271  0.0317 -6.5137 3  253.9115244  5951614043021 9 4    2922 8 4      C-13-H3C(O)CH3
  318426.5388  0.0064 -6.0401 3  164.1908408  595161404251312 1    251015 1      C-13-H3C(O)CH3
  318426.9195  0.1260 -6.2246 3  943.5417856  5951614045353 0 2    5352 1 2      C-13-H3C(O)CH3
  318438.8489  0.0218 -6.5317 3  243.3157236  5951614042922 7 3    291910 3      C-13-H3C(O)CH3
  318442.9813  0.0024 -3.4452 3  167.1822488  59516140430 327 1    29 426 1      C-13-H3C(O)CH3
  318442.9813  0.0024 -3.4452 3  167.1822488  59516140430 427 1    29 326 1      C-13-H3C(O)CH3
  318443.0974  0.0024 -4.8651 3  167.1822488 -59516140430 327 1    29 326 1      C-13-H3C(O)CH3
  318443.0974  0.0024 -4.8651 3  167.1822488 -59516140430 427 1    29 426 1      C-13-H3C(O)CH3
  318443.0974  0.0024 -3.4433 3  167.1816488 -59516140430 327 2    29 426 2      C-13-H3C(O)CH3
  318443.0974  0.0024 -3.4433 3  167.1816488 -59516140430 427 2    29 326 2      C-13-H3C(O)CH3
  318443.1971  0.0024 -4.9192 3  167.1816488  59516140430 427 2    29 426 2      C-13-H3C(O)CH3
  318443.1971  0.0024 -4.9192 3  167.1816488  59516140430 327 2    29 326 2      C-13-H3C(O)CH3
  318448.0724  0.1557 -6.5257 3  943.5677428  5951614045353 1 3    5352 2 3      C-13-H3C(O)CH3
  318456.9708  0.0416 -6.5848 3  460.9292616  5951614043835 4 1    3736 2 1      C-13-H3C(O)CH3
  318463.8593  0.0061 -6.0376 3  164.1893408  595161404251312 0    251015 0      C-13-H3C(O)CH3
  318476.2806  0.0194 -6.1437 3  536.7266728  595161404452323 2    442420 2      C-13-H3C(O)CH3
  318481.9138  0.0441 -6.8871 3  460.9131308  5951614043835 4 3    3736 2 3      C-13-H3C(O)CH3
  318483.4087  0.0021 -3.6961 3  167.1505488 -59516140430 327 0    29 426 0      C-13-H3C(O)CH3
  318483.4087  0.0021 -3.6961 3  167.1505488 -59516140430 427 0    29 326 0      C-13-H3C(O)CH3
  318483.4087  0.0021 -3.7666 3  167.1505488 -59516140430 427 0    29 426 0      C-13-H3C(O)CH3
  318483.4087  0.0021 -3.7666 3  167.1505488 -59516140430 327 0    29 326 0      C-13-H3C(O)CH3
  318486.4307  0.1342 -6.5258 3  943.5989428  5951614045353 0 4    5352 1 4      C-13-H3C(O)CH3
  318488.4761  0.0206 -6.4449 3  536.7075364  595161404452323 4    442420 4      C-13-H3C(O)CH3
  318490.4628  0.0206 -6.4449 3  536.7074364  595161404452323 3    442420 3      C-13-H3C(O)CH3
  318492.5397  0.0072 -4.6975 3  367.1682696  59516140443 737 0    43 538 0      C-13-H3C(O)CH3
  318492.5397  0.0072 -4.6975 3  367.1682696  59516140443 637 0    43 638 0      C-13-H3C(O)CH3
  318492.6445  0.0072 -4.7250 3  367.1682696 -59516140443 737 0    43 638 0      C-13-H3C(O)CH3
  318492.6445  0.0072 -4.7250 3  367.1682696 -59516140443 637 0    43 538 0      C-13-H3C(O)CH3
  318526.8187  0.0124 -5.1860 3  296.5456520  5951614043224 9 0    3125 6 0      C-13-H3C(O)CH3
  318534.1853  0.0124 -5.1860 3  296.5456520  5951614043224 8 0    3125 7 0      C-13-H3C(O)CH3
  318535.5811  0.0443 -6.8859 3  460.9338308  5951614043835 3 3    3736 1 3      C-13-H3C(O)CH3
  318549.2676  0.0291 -6.2050 3  429.4863600  5951614043733 4 1    3634 2 1      C-13-H3C(O)CH3
  318612.8219  0.0088 -6.1963 3   36.2296100  5951614041210 2 3    11 7 5 3      C-13-H3C(O)CH3
  318617.2188  0.0073 -4.3901 3   74.7595140  5951614041711 6 3    1610 7 3      C-13-H3C(O)CH3
  318618.7875  0.0062 -4.0869 3   74.7285280  5951614041711 6 2    1610 7 2      C-13-H3C(O)CH3
  318626.4598  0.0456 -5.4678 3 1185.1862A96  595161404682939 1    682840 1      C-13-H3C(O)CH3
  318626.4598  0.0456 -5.4678 3 1185.1862A96  595161404683039 1    682940 1      C-13-H3C(O)CH3
  318627.1906  0.0448 -5.4681 3 1185.1685A96  595161404682939 0    682840 0      C-13-H3C(O)CH3
  318627.1906  0.0448 -5.4683 3 1185.1685A96  595161404683039 0    682940 0      C-13-H3C(O)CH3
  318630.4725  0.0508 -5.7690 3 1185.2055548  595161404682939 3    682840 3      C-13-H3C(O)CH3
  318630.4725  0.0508 -5.7689 3 1185.2055548  595161404683039 3    682940 3      C-13-H3C(O)CH3
  318630.5175  0.0508 -5.7689 3 1185.2056548  595161404683039 4    682940 4      C-13-H3C(O)CH3
  318630.5175  0.0508 -5.7689 3 1185.2056548  595161404682939 4    682840 4      C-13-H3C(O)CH3
  318631.1601  0.0503 -5.4705 3 1185.1878A96  595161404683039 2    682940 2      C-13-H3C(O)CH3
  318631.1601  0.0503 -5.4682 3 1185.1878A96  595161404682939 2    682840 2      C-13-H3C(O)CH3
  318652.5691  0.0088 -6.8276 3  341.1803680 -59516140442 537 2    42 438 2      C-13-H3C(O)CH3
  318652.5691  0.0088 -6.8276 3  341.1803680 -59516140442 637 2    42 538 2      C-13-H3C(O)CH3
  318652.5728  0.0088 -4.4330 3  341.1803680  59516140442 537 2    42 538 2      C-13-H3C(O)CH3
  318652.5728  0.0088 -4.4330 3  341.1803680  59516140442 637 2    42 438 2      C-13-H3C(O)CH3
  318653.6535  0.0097 -4.4366 3  341.1808680  59516140442 537 1    42 438 1      C-13-H3C(O)CH3
  318653.6535  0.0097 -6.3474 3  341.1808680  59516140442 637 1    42 438 1      C-13-H3C(O)CH3
  318653.7436  0.0097 -4.4366 3  341.1808680 -59516140442 637 1    42 538 1      C-13-H3C(O)CH3
  318653.7436  0.0097 -6.3474 3  341.1808680 -59516140442 537 1    42 538 1      C-13-H3C(O)CH3
  318657.8333  0.0049 -4.0828 3   74.7001280  5951614041711 6 0    1610 7 0      C-13-H3C(O)CH3
  318658.3520  0.0117 -5.1858 3  296.5200520  5951614043224 8 2    3125 6 2      C-13-H3C(O)CH3
  318669.7578  0.0138 -4.7751 3  315.8071332  59516140441 537 4    41 338 4      C-13-H3C(O)CH3
  318669.7578  0.0138 -4.7751 3  315.8071332  59516140441 437 4    41 438 4      C-13-H3C(O)CH3
  318669.9004  0.0130 -4.7733 3  315.8071332  59516140441 537 3    41 438 3      C-13-H3C(O)CH3
  318669.9004  0.0130 -4.7733 3  315.8071332  59516140441 437 3    41 338 3      C-13-H3C(O)CH3
  318675.3278  0.1205 -6.2424 3 1299.4964524  595161404655510 4    655411 4      C-13-H3C(O)CH3
  318693.7110  0.1948 -6.5251 3  943.5656428  5951614045353 1 4    5352 2 4      C-13-H3C(O)CH3
  318707.2566  0.0287 -6.2036 3  429.4935600  5951614043733 4 0    3634 2 0      C-13-H3C(O)CH3
  318707.2566  0.0287 -6.2036 3  429.4935600  5951614043733 5 0    3634 3 0      C-13-H3C(O)CH3
  318719.6704  0.0323 -6.5067 3  429.4604300  5951614043733 4 4    3634 2 4      C-13-H3C(O)CH3
  318730.3388  0.1146 -5.9412 3 1299.4806A48  595161404655510 2    655411 2      C-13-H3C(O)CH3
  318731.8752  0.1517 -6.5253 3  943.5969428  5951614045353 0 3    5352 1 3      C-13-H3C(O)CH3
  318745.8982  0.0059 -4.0897 3   74.7300280  5951614041711 6 1    1610 7 1      C-13-H3C(O)CH3
  318752.6184  0.0183 -6.3005 3  243.3297472  5951614042922 8 2    291910 2      C-13-H3C(O)CH3
  318767.5984  0.1146 -6.2422 3 1299.4650524  595161404655510 3    655411 3      C-13-H3C(O)CH3
  318783.7744  0.0122 -5.1859 3  296.4955520  5951614043224 9 1    3125 7 1      C-13-H3C(O)CH3
  318799.7666  0.0073 -4.3995 3   74.7574140  5951614041711 6 4    1610 7 4      C-13-H3C(O)CH3
  318806.5387  0.0389 -6.5832 3  460.9234616  5951614043835 4 2    3736 2 2      C-13-H3C(O)CH3
  318819.0574  0.1144 -6.2421 3 1299.4563524  595161404655511 3    655412 3      C-13-H3C(O)CH3
  318836.9049  0.1062 -5.9411 3 1299.4802A48  595161404655510 1    655411 1      C-13-H3C(O)CH3
  318843.7162  0.0121 -5.1849 3  296.5040520  5951614043224 8 1    3125 6 1      C-13-H3C(O)CH3
  318865.9743  0.0138 -6.5762 3  816.6306936  595161404582038 0    581939 0      C-13-H3C(O)CH3
  318865.9743  0.0138 -4.8596 3  816.6306936  595161404582138 0    581939 0      C-13-H3C(O)CH3
  318865.9743  0.0138 -4.8618 3  816.6306936  595161404582038 0    582039 0      C-13-H3C(O)CH3
  318865.9743  0.0138 -6.7094 3  816.6306936  595161404582138 0    582039 0      C-13-H3C(O)CH3
  318873.6749  0.1073 -5.9410 3 1299.4406A48  595161404655511 2    655412 2      C-13-H3C(O)CH3
  318877.1217  0.0288 -6.2042 3  429.4675600  5951614043733 4 2    3634 2 2      C-13-H3C(O)CH3
  318878.6552  0.0122 -5.1858 3  296.5101520  5951614043224 9 2    3125 7 2      C-13-H3C(O)CH3
  318891.1554  0.1104 -5.9409 3 1299.4644A48  595161404655511 0    655411 0      C-13-H3C(O)CH3
  318891.1554  0.1104 -5.9409 3 1299.4644A48  595161404655510 0    655412 0      C-13-H3C(O)CH3
  318909.0081  0.0130 -5.4858 3  296.4698260  5951614043224 9 3    3125 6 3      C-13-H3C(O)CH3
  318910.8095  0.1306 -6.2420 3 1299.4250524  595161404655511 4    655412 4      C-13-H3C(O)CH3
  318913.3938  0.0158 -6.2273 3  243.3336472  5951614042922 7 1    291910 1      C-13-H3C(O)CH3
  318919.9320  0.0083 -4.7387 3  341.1767680  59516140442 537 0    42 538 0      C-13-H3C(O)CH3
  318919.9320  0.0083 -4.7387 3  341.1767680  59516140442 637 0    42 438 0      C-13-H3C(O)CH3
  318919.9845  0.0083 -4.7242 3  341.1767680 -59516140442 537 0    42 438 0      C-13-H3C(O)CH3
  318919.9845  0.0083 -4.7242 3  341.1767680 -59516140442 637 0    42 538 0      C-13-H3C(O)CH3
  318928.3953  0.1009 -5.9409 3 1299.4489A48  595161404655511 1    655412 1      C-13-H3C(O)CH3
  318928.9677  0.0160 -5.1548 3  291.0244324  59516140440 437 3    40 338 3      C-13-H3C(O)CH3
  318928.9677  0.0160 -5.1309 3  291.0244324  59516140440 437 3    40 238 3      C-13-H3C(O)CH3
  318928.9677  0.0160 -5.1309 3  291.0244324  59516140440 337 3    40 338 3      C-13-H3C(O)CH3
  318928.9677  0.0160 -5.1548 3  291.0244324  59516140440 337 3    40 238 3      C-13-H3C(O)CH3
  318929.0326  0.0169 -6.3553 3  291.0245324  59516140440 437 4    40 238 4      C-13-H3C(O)CH3
  318929.0326  0.0169 -4.8552 3  291.0245324  59516140440 437 4    40 338 4      C-13-H3C(O)CH3
  318929.0326  0.0169 -4.8552 3  291.0245324  59516140440 337 4    40 238 4      C-13-H3C(O)CH3
  318929.0326  0.0169 -6.3553 3  291.0245324  59516140440 337 4    40 338 4      C-13-H3C(O)CH3
  318936.0485  0.0161 -5.8183 3  816.6244936  595161404582138 1    582039 1      C-13-H3C(O)CH3
  318936.0485  0.0161 -4.9030 3  816.6244936  595161404582038 1    582039 1      C-13-H3C(O)CH3
  318936.0485  0.0161 -5.8183 3  816.6244936  595161404582038 1    581939 1      C-13-H3C(O)CH3
  318936.0485  0.0161 -4.9030 3  816.6244936  595161404582138 1    581939 1      C-13-H3C(O)CH3
  318937.0697  0.0327 -6.2036 3  429.4304600  5951614043733 5 1    3634 3 1      C-13-H3C(O)CH3
  318938.0777  0.0183 -5.4637 3  816.6243936  595161404582138 2    581939 2      C-13-H3C(O)CH3
  318938.0777  0.0183 -4.9754 3  816.6243936  595161404582138 2    582039 2      C-13-H3C(O)CH3
  318938.0777  0.0183 -5.4637 3  816.6243936  595161404582038 2    582039 2      C-13-H3C(O)CH3
  318938.0777  0.0183 -4.9754 3  816.6243936  595161404582038 2    581939 2      C-13-H3C(O)CH3
  318939.9169  0.0487 -6.8847 3  460.8655308  5951614043835 4 4    3736 2 4      C-13-H3C(O)CH3
  318962.7211  0.0237 -6.5182 3  243.3163236  5951614042922 7 4    291910 4      C-13-H3C(O)CH3
  318971.5438  0.0149 -5.4848 3  296.4782260  5951614043224 8 4    3125 6 4      C-13-H3C(O)CH3
  318976.0981  0.1101 -6.2887 3 1473.8688604  595161404753540 4    753441 4      C-13-H3C(O)CH3
  318976.0987  0.1101 -6.2887 3 1473.8688604  595161404753640 4    753541 4      C-13-H3C(O)CH3
  318976.1401  0.1101 -6.2887 3 1473.8688604  595161404753540 3    753441 3      C-13-H3C(O)CH3
  318976.1407  0.1101 -6.2887 3 1473.8688604  595161404753640 3    753541 3      C-13-H3C(O)CH3
  319002.2165  0.0119 -4.9160 3  315.7906664  59516140441 537 2    41 338 2      C-13-H3C(O)CH3
  319002.2165  0.0119 -4.6635 3  315.7906664  59516140441 437 2    41 338 2      C-13-H3C(O)CH3
  319002.2165  0.0119 -4.9160 3  315.7906664  59516140441 437 2    41 438 2      C-13-H3C(O)CH3
  319002.2165  0.0119 -4.6635 3  315.7906664  59516140441 537 2    41 438 2      C-13-H3C(O)CH3
  319003.1298  0.0131 -4.4860 3  315.7910664 -59516140441 437 1    41 338 1      C-13-H3C(O)CH3
  319003.1298  0.0131 -4.4860 3  315.7910664 -59516140441 537 1    41 438 1      C-13-H3C(O)CH3
  319003.1370  0.0131 -5.9341 3  315.7910664  59516140441 437 1    41 438 1      C-13-H3C(O)CH3
  319003.1370  0.0131 -5.9341 3  315.7910664  59516140441 537 1    41 338 1      C-13-H3C(O)CH3
  319005.0989  0.1176 -5.9877 3 1473.8520C08  595161404753540 1    753441 1      C-13-H3C(O)CH3
  319005.0996  0.1176 -5.9877 3 1473.8520C08  595161404753640 1    753541 1      C-13-H3C(O)CH3
  319008.0519  0.1136 -5.9879 3 1473.8550C08  595161404753540 2    753441 2      C-13-H3C(O)CH3
  319008.0523  0.1136 -5.9879 3 1473.8550C08  595161404753640 2    753541 2      C-13-H3C(O)CH3
  319008.2525  0.0166 -5.3174 3  816.6181468  595161404582138 3    582039 3      C-13-H3C(O)CH3
  319008.2525  0.0166 -5.6576 3  816.6181468  595161404582038 3    582039 3      C-13-H3C(O)CH3
  319008.2525  0.0166 -5.6576 3  816.6181468  595161404582138 3    581939 3      C-13-H3C(O)CH3
  319008.2525  0.0166 -5.3174 3  816.6181468  595161404582038 3    581939 3      C-13-H3C(O)CH3
  319008.4021  0.0167 -5.9789 3  816.6181468  595161404582138 4    581939 4      C-13-H3C(O)CH3
  319008.4021  0.0167 -5.2244 3  816.6181468  595161404582138 4    582039 4      C-13-H3C(O)CH3
  319008.4021  0.0167 -5.9789 3  816.6181468  595161404582038 4    582039 4      C-13-H3C(O)CH3
  319008.4021  0.0167 -5.2244 3  816.6181468  595161404582038 4    581939 4      C-13-H3C(O)CH3
  319034.0559  0.2046 -6.7876 3 1741.6637652  595161404814041 4    813942 4      C-13-H3C(O)CH3
  319034.0833  0.2046 -6.7876 3 1741.6637652  595161404814141 4    814042 4      C-13-H3C(O)CH3
  319034.1306  0.2046 -6.7875 3 1741.6637652  595161404814041 3    813942 3      C-13-H3C(O)CH3
  319034.1579  0.2046 -6.7875 3 1741.6637652  595161404814141 3    814042 3      C-13-H3C(O)CH3
  319036.9927  0.1188 -5.9875 3 1473.8383C08  595161404753540 0    753441 0      C-13-H3C(O)CH3
  319036.9931  0.1188 -5.9875 3 1473.8383C08  595161404753640 0    753541 0      C-13-H3C(O)CH3
  319039.2733  0.0333 -6.5045 3  429.4279300  5951614043733 4 3    3634 2 3      C-13-H3C(O)CH3
  319064.6708  0.2249 -6.4864 3 1741.6581D04  595161404814041 1    813942 1      C-13-H3C(O)CH3
  319064.7002  0.2249 -6.4864 3 1741.6581D04  595161404814141 1    814042 1      C-13-H3C(O)CH3
  319065.2715  0.2132 -6.4866 3 1741.6611D04  595161404814041 2    813942 2      C-13-H3C(O)CH3
  319065.2940  0.2132 -6.4866 3 1741.6611D04  595161404814141 2    814042 2      C-13-H3C(O)CH3
  319095.7426  0.2270 -6.4863 3 1741.6556D04  595161404814041 0    813942 0      C-13-H3C(O)CH3
  319095.7669  0.2270 -6.4863 3 1741.6556D04  595161404814141 0    814042 0      C-13-H3C(O)CH3
  319106.5381  0.0334 -6.5053 3  429.4045300  5951614043733 5 3    3634 3 3      C-13-H3C(O)CH3
  319122.9444  0.0182 -6.9165 3  159.4433188  5951614042320 4 4    2317 7 4      C-13-H3C(O)CH3
  319127.2801  0.0139 -5.4858 3  296.4599260  5951614043224 9 4    3125 7 4      C-13-H3C(O)CH3
  319162.3881  0.0038 -3.7758 3   79.2411132 -5951614041616 0 4    1515 0 4      C-13-H3C(O)CH3
  319163.9343  0.0201 -4.9867 3  266.8374316  59516140439 237 3    39 138 3      C-13-H3C(O)CH3
  319163.9343  0.0201 -4.9867 3  266.8374316  59516140439 337 3    39 238 3      C-13-H3C(O)CH3
  319163.9343  0.0201 -6.2322 3  266.8374316  59516140439 337 3    39 138 3      C-13-H3C(O)CH3
  319163.9343  0.0201 -6.2322 3  266.8374316  59516140439 237 3    39 238 3      C-13-H3C(O)CH3
  319164.3088  0.0210 -4.9883 3  266.8375316  59516140439 237 4    39 238 4      C-13-H3C(O)CH3
  319164.3088  0.0210 -6.2045 3  266.8375316  59516140439 237 4    39 138 4      C-13-H3C(O)CH3
  319164.3088  0.0210 -4.9648 3  266.8375316  59516140439 337 4    39 138 4      C-13-H3C(O)CH3
  319189.4909  0.0124 -5.4849 3  296.4684260  5951614043224 8 3    3125 7 3      C-13-H3C(O)CH3
  319196.8547  0.0303 -6.2021 3  429.4350600  5951614043733 5 2    3634 3 2      C-13-H3C(O)CH3
  319206.2785  0.0217 -6.9250 3  159.5442188  5951614042320 3 4    2317 6 4      C-13-H3C(O)CH3
  319207.6284  0.0039 -3.7755 3   79.1570132 -5951614041616 1 3    1515 1 3      C-13-H3C(O)CH3
  319211.0278  0.0183 -6.5041 3  683.6252824  595161404512427 0    502724 0      C-13-H3C(O)CH3
  319220.0573  0.0218 -6.5036 3  683.6169824  595161404512427 1    502724 1      C-13-H3C(O)CH3
  319235.7127  0.0136 -5.9763 3  243.3472472  5951614042922 7 0    291910 0      C-13-H3C(O)CH3
  319245.8590  0.0259 -6.5023 3  683.6152824  595161404512427 2    502724 2      C-13-H3C(O)CH3
  319254.7065  0.0278 -6.8030 3  683.6068412  595161404512427 3    502724 3      C-13-H3C(O)CH3
  319254.7975  0.0279 -6.8030 3  683.6068412  595161404512427 4    502724 4      C-13-H3C(O)CH3
  319260.0485  0.0041 -3.7754 3   79.1575132 -5951614041616 0 3    1515 0 3      C-13-H3C(O)CH3
  319292.2732  0.0176 -6.2572 3  243.3297472  5951614042922 7 2    291910 2      C-13-H3C(O)CH3
  319297.5840  0.0962 -5.8064 3 1112.6011952  5951614045954 5 0    5953 7 0      C-13-H3C(O)CH3
  319297.5840  0.0962 -5.8064 3 1112.6011952  5951614045954 6 0    5953 6 0      C-13-H3C(O)CH3
  319304.8716  0.0040 -3.7751 3   79.0737132 -5951614041616 1 4    1515 1 4      C-13-H3C(O)CH3
  319319.0869  0.0184 -6.5038 3  683.6216824  595161404512527 0    502624 0      C-13-H3C(O)CH3
  319320.7730  0.1055 -5.8064 3 1112.6161952  5951614045954 5 2    5953 6 2      C-13-H3C(O)CH3
  319333.5854  0.0216 -6.5033 3  683.6131824  595161404512527 1    502624 1      C-13-H3C(O)CH3
  319333.7075  0.0172 -4.5680 3  290.9933648  59516140440 337 2    40 338 2      C-13-H3C(O)CH3
  319333.7075  0.0172 -5.7312 3  290.9933648  59516140440 337 2    40 238 2      C-13-H3C(O)CH3
  319333.7075  0.0172 -4.5680 3  290.9933648  59516140440 437 2    40 238 2      C-13-H3C(O)CH3
  319333.7075  0.0172 -5.7312 3  290.9933648  59516140440 437 2    40 338 2      C-13-H3C(O)CH3
  319334.4627  0.0185 -6.0978 3  290.9937648  59516140440 437 1    40 338 1      C-13-H3C(O)CH3
  319334.4627  0.0185 -4.5515 3  290.9937648  59516140440 437 1    40 238 1      C-13-H3C(O)CH3
  319334.4627  0.0185 -6.0978 3  290.9937648  59516140440 337 1    40 238 1      C-13-H3C(O)CH3
  319334.4627  0.0185 -4.5515 3  290.9937648  59516140440 337 1    40 338 1      C-13-H3C(O)CH3
  319334.7897  0.0111 -4.6348 3  315.7746664  59516140441 437 0    41 338 0      C-13-H3C(O)CH3
  319334.7897  0.0111 -4.6348 3  315.7746664  59516140441 537 0    41 438 0      C-13-H3C(O)CH3
  319334.7897  0.0111 -4.9691 3  315.7746664  59516140441 537 0    41 338 0      C-13-H3C(O)CH3
  319334.7897  0.0111 -4.9691 3  315.7746664  59516140441 437 0    41 438 0      C-13-H3C(O)CH3
  319360.7563  0.0266 -6.5020 3  683.6113824  595161404512527 2    502624 2      C-13-H3C(O)CH3
  319375.2438  0.0286 -6.8026 3  683.6028412  595161404512527 4    502624 4      C-13-H3C(O)CH3
  319375.4522  0.0284 -6.8026 3  683.6028412  595161404512527 3    502624 3      C-13-H3C(O)CH3
  319375.7345  0.0252 -5.2170 3  243.2469308  59516140438 237 3    38 038 3      C-13-H3C(O)CH3
  319375.7345  0.0252 -5.2170 3  243.2469308  59516140438 137 3    38 138 3      C-13-H3C(O)CH3
  319376.5449  0.0261 -5.2153 3  243.2469308  59516140438 237 4    38 138 4      C-13-H3C(O)CH3
  319376.5449  0.0261 -5.2153 3  243.2469308  59516140438 137 4    38 038 4      C-13-H3C(O)CH3
  319380.7923  0.0883 -5.8064 3 1112.6192952  5951614045954 6 1    5953 7 1      C-13-H3C(O)CH3
  319404.7940  0.1054 -6.1074 3 1112.6342476  5951614045954 6 3    5953 7 3      C-13-H3C(O)CH3
  319422.5697  0.0035 -3.4740 3   79.2044264 -5951614041616 0 1    1515 0 1      C-13-H3C(O)CH3
  319423.3842  0.0386 -6.5032 3  429.3720300  5951614043733 5 4    3634 3 4      C-13-H3C(O)CH3
  319429.5540  0.0973 -5.8063 3 1112.6321952  5951614045954 5 1    5953 6 1      C-13-H3C(O)CH3
  319452.7397  0.1264 -6.1073 3 1112.6470476  5951614045954 5 4    5953 6 4      C-13-H3C(O)CH3
  319461.2488  0.0231 -5.9042 3  399.2848584  5951614043631 5 1    3532 3 1      C-13-H3C(O)CH3
  319467.5398  0.0035 -3.4739 3   79.2166264 -5951614041616 0 2    1515 0 2      C-13-H3C(O)CH3
  319469.9324  0.0905 -5.8062 3 1112.6053952  5951614045954 6 2    5953 7 2      C-13-H3C(O)CH3
  319494.8255  0.0024 -3.7095 3  170.0325252  59516140431 329 3    30 228 3      C-13-H3C(O)CH3
  319494.8255  0.0024 -3.7095 3  170.0325252  59516140431 229 3    30 328 3      C-13-H3C(O)CH3
  319494.8502  0.0024 -3.7069 3  170.0326252  59516140431 229 4    30 228 4      C-13-H3C(O)CH3
  319494.8502  0.0024 -3.7069 3  170.0326252  59516140431 329 4    30 328 4      C-13-H3C(O)CH3
  319494.8559  0.0024 -5.3633 3  170.0326252 -59516140431 329 4    30 228 4      C-13-H3C(O)CH3
  319494.8559  0.0024 -5.3633 3  170.0326252 -59516140431 229 4    30 328 4      C-13-H3C(O)CH3
  319494.8559  0.0024 -5.2612 3  170.0325252 -59516140431 329 3    30 328 3      C-13-H3C(O)CH3
  319494.8559  0.0024 -5.2612 3  170.0325252 -59516140431 229 3    30 228 3      C-13-H3C(O)CH3
  319505.3288  0.0236 -5.9031 3  399.3068584  5951614043631 5 0    3532 4 0      C-13-H3C(O)CH3
  319505.3288  0.0236 -5.9031 3  399.3068584  5951614043631 6 0    3532 3 0      C-13-H3C(O)CH3
  319512.0355  0.0039 -3.4736 3   79.1327264 -5951614041616 1 2    1515 1 2      C-13-H3C(O)CH3
  319519.4838  0.0038 -3.4735 3   79.1210264 -5951614041616 1 1    1515 1 1      C-13-H3C(O)CH3
  319526.1971  0.0026 -4.5141 3  169.9916504  59516140431 329 1    30 228 1      C-13-H3C(O)CH3
  319526.1971  0.0026 -3.4307 3  169.9916504  59516140431 229 1    30 228 1      C-13-H3C(O)CH3
  319526.2685  0.0026 -4.5141 3  169.9916504 -59516140431 229 1    30 328 1      C-13-H3C(O)CH3
  319526.2685  0.0025 -3.4013 3  169.9912504 -59516140431 229 2    30 328 2      C-13-H3C(O)CH3
  319526.2685  0.0026 -3.4307 3  169.9916504 -59516140431 329 1    30 328 1      C-13-H3C(O)CH3
  319526.2685  0.0025 -5.3368 3  169.9912504 -59516140431 329 2    30 328 2      C-13-H3C(O)CH3
  319526.3309  0.0025 -5.3368 3  169.9912504  59516140431 229 2    30 228 2      C-13-H3C(O)CH3
  319526.3309  0.0025 -3.4013 3  169.9912504  59516140431 329 2    30 228 2      C-13-H3C(O)CH3
  319535.2822  0.3582 -6.8993 3 1737.6332620  595161404775819 4    775720 4      C-13-H3C(O)CH3
  319553.9420  0.1066 -6.1073 3 1112.6234476  5951614045954 6 4    5953 7 4      C-13-H3C(O)CH3
  319557.6207  0.0022 -4.2034 3  169.9504504 -59516140431 229 0    30 228 0      C-13-H3C(O)CH3
  319557.6207  0.0022 -3.4698 3  169.9504504 -59516140431 229 0    30 328 0      C-13-H3C(O)CH3
  319557.6207  0.0022 -4.2034 3  169.9504504 -59516140431 329 0    30 328 0      C-13-H3C(O)CH3
  319557.6207  0.0022 -3.4698 3  169.9504504 -59516140431 329 0    30 228 0      C-13-H3C(O)CH3
  319571.5269  0.2728 -6.8991 3 1737.5929620  595161404775819 3    775720 3      C-13-H3C(O)CH3
  319602.6570  0.1056 -6.1071 3 1112.6362476  5951614045954 5 3    5953 6 3      C-13-H3C(O)CH3
  319634.5144  0.0127 -4.8013 3  781.8652920  595161404571938 0    571939 0      C-13-H3C(O)CH3
  319634.5144  0.0127 -4.8013 3  781.8652920  595161404572038 0    571839 0      C-13-H3C(O)CH3
  319648.0645  0.0247 -4.7159 3  266.7891632  59516140439 337 2    39 238 2      C-13-H3C(O)CH3
  319648.0645  0.0247 -5.5764 3  266.7891632  59516140439 237 2    39 238 2      C-13-H3C(O)CH3
  319648.0645  0.0247 -4.7159 3  266.7891632  59516140439 237 2    39 138 2      C-13-H3C(O)CH3
  319648.0645  0.0247 -5.5764 3  266.7891632  59516140439 337 2    39 138 2      C-13-H3C(O)CH3
  319648.6645  0.0261 -5.9996 3  266.7895632  59516140439 337 1    39 238 1      C-13-H3C(O)CH3
  319648.6645  0.0261 -4.6804 3  266.7895632  59516140439 337 1    39 138 1      C-13-H3C(O)CH3
  319648.6645  0.0261 -4.6804 3  266.7895632  59516140439 237 1    39 238 1      C-13-H3C(O)CH3
  319648.6645  0.0261 -5.9996 3  266.7895632  59516140439 237 1    39 138 1      C-13-H3C(O)CH3
  319664.2279  0.3467 -6.9347 3 1978.3119D84  595161404864442 1    864343 1      C-13-H3C(O)CH3
  319664.6191  0.3468 -6.9347 3 1978.3119D84  595161404864542 1    864443 1      C-13-H3C(O)CH3
  319664.8414  0.3366 -6.9348 3 1978.3137D84  595161404864442 2    864343 2      C-13-H3C(O)CH3
  319665.1544  0.3365 -6.9348 3 1978.3137D84  595161404864542 2    864443 2      C-13-H3C(O)CH3
  319674.8618  0.3166 -6.8989 3 1737.5839620  595161404775820 3    775721 3      C-13-H3C(O)CH3
  319677.7805  0.0072 -5.7560 3   36.1289200  5951614041210 2 0    11 7 5 0      C-13-H3C(O)CH3
  319681.6504  0.3489 -6.9347 3 1978.3185D84  595161404864442 0    864343 0      C-13-H3C(O)CH3
  319681.9934  0.3489 -6.9347 3 1978.3185D84  595161404864542 0    864443 0      C-13-H3C(O)CH3
  319699.3719  0.0163 -6.6221 3  159.5326376  5951614042320 3 1    2317 6 1      C-13-H3C(O)CH3
  319704.4305  0.2795 -6.5979 3 1737.6277C40  595161404775819 1    775720 1      C-13-H3C(O)CH3
  319708.2837  0.0148 -5.1823 3  781.8552920  595161404571938 1    571939 1      C-13-H3C(O)CH3
  319708.2837  0.0148 -5.0318 3  781.8552920  595161404571938 1    571839 1      C-13-H3C(O)CH3
  319708.2837  0.0148 -5.0318 3  781.8552920  595161404572038 1    571939 1      C-13-H3C(O)CH3
  319708.2837  0.0148 -5.1823 3  781.8552920  595161404572038 1    571839 1      C-13-H3C(O)CH3
  319709.8458  0.0164 -5.1402 3  781.8550920  595161404571938 2    571839 2      C-13-H3C(O)CH3
  319709.8458  0.0164 -5.1402 3  781.8550920  595161404572038 2    571939 2      C-13-H3C(O)CH3
  319709.8458  0.0164 -5.0643 3  781.8550920  595161404571938 2    571939 2      C-13-H3C(O)CH3
  319709.8458  0.0164 -5.0643 3  781.8550920  595161404572038 2    571839 2      C-13-H3C(O)CH3
  319711.2188  0.2329 -6.8988 3 1737.5436620  595161404775820 4    775721 4      C-13-H3C(O)CH3
  319727.1854  0.0038 -3.4731 3   79.1800264 -5951614041616 1 0    1515 0 0      C-13-H3C(O)CH3
  319727.1854  0.0038 -3.4731 3   79.1800264 -5951614041616 0 0    1515 1 0      C-13-H3C(O)CH3
  319738.3338  0.0161 -4.5379 3  290.9626648  59516140440 437 0    40 338 0      C-13-H3C(O)CH3
  319738.3338  0.0161 -4.5379 3  290.9626648  59516140440 337 0    40 238 0      C-13-H3C(O)CH3
  319738.4980  0.0255 -6.2052 3  399.2531292  5951614043631 5 4    3532 3 4      C-13-H3C(O)CH3
  319747.6267  0.1686 -6.4252 3 1437.5197556  595161404695613 4    695514 4      C-13-H3C(O)CH3
  319776.0365  0.0117 -5.6382 3  324.7103552  595161404342312 1    342015 1      C-13-H3C(O)CH3
  319782.4753  0.0233 -5.9031 3  399.2751584  5951614043631 5 2    3532 3 2      C-13-H3C(O)CH3
  319783.7181  0.0151 -5.1726 3  781.8449460  595161404571938 3    571939 3      C-13-H3C(O)CH3
  319783.7181  0.0151 -5.9145 3  781.8449460  595161404572038 3    571939 3      C-13-H3C(O)CH3
  319783.7181  0.0151 -5.9145 3  781.8449460  595161404571938 3    571839 3      C-13-H3C(O)CH3
  319783.7181  0.0151 -5.1726 3  781.8449460  595161404572038 3    571839 3      C-13-H3C(O)CH3
  319783.8612  0.0152 -5.4868 3  781.8448460  595161404571938 4    571939 4      C-13-H3C(O)CH3
  319783.8612  0.0152 -5.4868 3  781.8448460  595161404572038 4    571839 4      C-13-H3C(O)CH3
  319783.8612  0.0152 -5.3300 3  781.8448460  595161404571938 4    571839 4      C-13-H3C(O)CH3
  319783.8612  0.0152 -5.3300 3  781.8448460  595161404572038 4    571939 4      C-13-H3C(O)CH3
  319799.3655  0.0258 -5.9027 3  399.2432584  5951614043631 6 1    3532 4 1      C-13-H3C(O)CH3
  319811.6263  0.3033 -6.5978 3 1737.6281C40  595161404775819 2    775720 2      C-13-H3C(O)CH3
  319825.1585  0.0382 -5.3964 3 1144.6544A80  595161404672939 0    672840 0      C-13-H3C(O)CH3
  319825.1585  0.0382 -5.3969 3 1144.6544A80  595161404672839 0    672740 0      C-13-H3C(O)CH3
  319832.1792  0.0394 -5.3950 3 1144.6713A80  595161404672939 1    672840 1      C-13-H3C(O)CH3
  319832.1792  0.0394 -5.3959 3 1144.6713A80  595161404672839 1    672740 1      C-13-H3C(O)CH3
  319836.8685  0.0447 -6.1819 3 1144.6727A80  595161404672839 2    672740 2      C-13-H3C(O)CH3
  319836.8685  0.0447 -5.4724 3 1144.6727A80  595161404672939 2    672740 2      C-13-H3C(O)CH3
  319836.8685  0.0447 -5.4020 3 1144.6727A80  595161404672939 2    672840 2      C-13-H3C(O)CH3
  319843.9408  0.0449 -5.6960 3 1144.6896540  595161404672939 3    672840 3      C-13-H3C(O)CH3
  319843.9408  0.0449 -5.6960 3 1144.6896540  595161404672839 3    672740 3      C-13-H3C(O)CH3
  319844.0023  0.0450 -5.6989 3 1144.6896540  595161404672939 4    672840 4      C-13-H3C(O)CH3
  319844.0023  0.0450 -5.6989 3 1144.6896540  595161404672839 4    672740 4      C-13-H3C(O)CH3
  319844.1633  0.2445 -6.5976 3 1737.5785C40  595161404775820 1    775721 1      C-13-H3C(O)CH3
  319847.9483  0.2173 -6.5976 3 1737.5877C40  595161404775820 2    775721 2      C-13-H3C(O)CH3
  319854.2132  0.0160 -6.6181 3  159.4763376  5951614042320 4 1    2317 7 1      C-13-H3C(O)CH3
  319856.9351  0.1446 -6.4249 3 1437.4719556  595161404695614 3    695515 3      C-13-H3C(O)CH3
  319858.2416  0.0161 -6.6211 3  159.4893376  5951614042320 4 2    2317 7 2      C-13-H3C(O)CH3
  319886.9249  0.1622 -6.4249 3 1437.4785556  595161404695613 3    695514 3      C-13-H3C(O)CH3
  319889.2137  0.0096 -5.6366 3  300.8339536  595161404332113 0    331816 0      C-13-H3C(O)CH3
  319890.0805  0.0094 -5.6372 3  300.8133536  595161404332113 1    331816 1      C-13-H3C(O)CH3
  319900.5014  0.1535 -6.1238 3 1437.5099B12  595161404695613 2    695514 2      C-13-H3C(O)CH3
  319908.7291  0.0261 -6.2035 3  399.2337292  5951614043631 5 3    3532 3 3      C-13-H3C(O)CH3
  319910.2424  0.0108 -5.6374 3  324.7307552  595161404342312 0    342015 0      C-13-H3C(O)CH3
  319940.5437  0.0148 -5.9541 3  324.6841276  595161404342312 3    342015 3      C-13-H3C(O)CH3
  319946.2492  0.0344 -6.4665 3  243.1789616  59516140438 137 2    38 138 2      C-13-H3C(O)CH3
  319946.2492  0.0344 -4.9187 3  243.1789616  59516140438 237 2    38 138 2      C-13-H3C(O)CH3
  319946.2492  0.0344 -6.4665 3  243.1789616  59516140438 237 2    38 038 2      C-13-H3C(O)CH3
  319946.2492  0.0344 -4.9187 3  243.1789616  59516140438 137 2    38 038 2      C-13-H3C(O)CH3
  319946.7204  0.0359 -5.0434 3  243.1793616  59516140438 237 1    38 138 1      C-13-H3C(O)CH3
  319946.7204  0.0359 -5.0434 3  243.1793616  59516140438 137 1    38 038 1      C-13-H3C(O)CH3
  319946.7204  0.0359 -5.4754 3  243.1793616  59516140438 237 1    38 038 1      C-13-H3C(O)CH3
  319946.7204  0.0359 -5.4754 3  243.1793616  59516140438 137 1    38 138 1      C-13-H3C(O)CH3
  319950.1715  0.1362 -6.1238 3 1437.5043B12  595161404695613 1    695514 1      C-13-H3C(O)CH3
  319953.9734  0.0241 -5.9015 3  399.2557584  5951614043631 6 2    3532 4 2      C-13-H3C(O)CH3
  319980.1002  0.0130 -5.9430 3  324.6840276  595161404342312 4    342015 4      C-13-H3C(O)CH3
  319980.7918  0.2462 -6.5974 3 1737.6227C40  595161404775819 0    775720 0      C-13-H3C(O)CH3
  319980.7918  0.2462 -6.5974 3 1737.6227C40  595161404775820 0    775721 0      C-13-H3C(O)CH3
  319992.0335  0.0091 -5.9391 3  300.7875268  595161404332113 3    331816 3      C-13-H3C(O)CH3
  319993.3726  0.0089 -5.9390 3  300.7875268  595161404332113 4    331816 4      C-13-H3C(O)CH3
  319995.2445  0.0094 -5.6375 3  300.8081536  595161404332113 2    331816 2      C-13-H3C(O)CH3
  319995.8886  0.1627 -6.4246 3 1437.4308556  595161404695614 4    695515 4      C-13-H3C(O)CH3
  320009.6707  0.1263 -6.1236 3 1437.4622B12  595161404695614 2    695515 2      C-13-H3C(O)CH3
  320074.7940  0.0264 -6.2038 3  399.2115292  5951614043631 6 3    3532 4 3      C-13-H3C(O)CH3
  320075.4497  0.2509 -6.6462 3 1583.5532588  595161404735716 4    735617 4      C-13-H3C(O)CH3
  320089.0495  0.1284 -6.1235 3 1437.4632B12  595161404695614 1    695515 1      C-13-H3C(O)CH3
  320093.8106  0.0151 -6.6254 3  159.5341376  5951614042320 3 2    2317 6 2      C-13-H3C(O)CH3
  320098.7443  0.0116 -5.6474 3  324.7044552  595161404342312 2    342015 2      C-13-H3C(O)CH3
  320102.5123  0.1231 -6.1235 3 1437.4946B12  595161404695613 0    695514 0      C-13-H3C(O)CH3
  320102.5123  0.1231 -6.1235 3 1437.4946B12  595161404695614 0    695515 0      C-13-H3C(O)CH3
  320123.8923  0.0081 -6.0752 3   36.1788200  5951614041210 2 1    11 7 5 1      C-13-H3C(O)CH3
  320131.6738  0.0235 -5.2519 3  266.7413632  59516140439 237 0    39 238 0      C-13-H3C(O)CH3
  320131.6738  0.0235 -4.7860 3  266.7413632  59516140439 237 0    39 138 0      C-13-H3C(O)CH3
  320131.6738  0.0235 -5.2519 3  266.7413632  59516140439 337 0    39 138 0      C-13-H3C(O)CH3
  320131.6738  0.0235 -4.7860 3  266.7413632  59516140439 337 0    39 238 0      C-13-H3C(O)CH3
  320144.3013  0.1920 -6.6460 3 1583.5058588  595161404735717 3    735617 3      C-13-H3C(O)CH3
  320168.9811  0.0081 -6.0696 3   36.1783200  5951614041210 2 2    11 7 5 2      C-13-H3C(O)CH3
  320173.1330  0.1163 -6.2147 3 1268.8691516  5951614046455 9 4    645410 4      C-13-H3C(O)CH3
  320190.5802  0.1117 -5.9136 3 1268.8518A32  5951614046455 9 2    645410 2      C-13-H3C(O)CH3
  320230.8987  0.2312 -6.6459 3 1583.5058588  595161404735716 3    735618 3      C-13-H3C(O)CH3
  320244.1295  0.1085 -6.2146 3 1268.8413516  5951614046455 9 3    645410 3      C-13-H3C(O)CH3
  320244.1346  0.0304 -6.2021 3  399.1920292  5951614043631 6 4    3532 4 4      C-13-H3C(O)CH3
  320276.5219  0.1888 -6.3448 3 1583.5412B76  595161404735716 1    735617 1      C-13-H3C(O)CH3
  320299.6000  0.1942 -6.6456 3 1583.4584588  595161404735717 4    735618 4      C-13-H3C(O)CH3
  320304.7647  0.2161 -6.3448 3 1583.5470B76  595161404735716 2    735617 2      C-13-H3C(O)CH3
  320307.3648  0.1044 -5.9135 3 1268.8544A32  5951614046455 9 1    645410 1      C-13-H3C(O)CH3
  320310.2974  0.0078 -6.3393 3  164.1901204  595161404251412 4    251115 4      C-13-H3C(O)CH3
  320311.6699  0.0061 -6.3393 3  164.1901204  595161404251412 3    251115 3      C-13-H3C(O)CH3
  320324.0739  0.1132 -5.9134 3 1268.8370A32  5951614046455 9 0    645410 0      C-13-H3C(O)CH3
  320324.0739  0.1132 -5.9134 3 1268.8370A32  595161404645510 0    645411 0      C-13-H3C(O)CH3
  320327.1044  0.1112 -6.2145 3 1268.8335516  595161404645510 3    645411 3      C-13-H3C(O)CH3
  320344.0586  0.1064 -5.9133 3 1268.8162A32  595161404645510 2    645411 2      C-13-H3C(O)CH3
  320355.5762  0.0984 -5.8233 3 1084.9459936  5951614045854 5 0    5853 5 0      C-13-H3C(O)CH3
  320355.5762  0.0984 -5.8233 3 1084.9459936  5951614045854 4 0    5853 6 0      C-13-H3C(O)CH3
  320365.1447  0.0117 -5.3767 3  747.6778904  595161404561938 0    561739 0      C-13-H3C(O)CH3
  320365.1447  0.0117 -4.8653 3  747.6778904  595161404561838 0    561739 0      C-13-H3C(O)CH3
  320365.1447  0.0117 -5.3767 3  747.6778904  595161404561838 0    561839 0      C-13-H3C(O)CH3
  320365.1447  0.0117 -4.8653 3  747.6778904  595161404561938 0    561839 0      C-13-H3C(O)CH3
  320373.6133  0.1554 -6.3445 3 1583.4995B76  595161404735717 2    735618 2      C-13-H3C(O)CH3
  320377.4774  0.0991 -5.9134 3 1268.8265A32  595161404645510 1    645411 1      C-13-H3C(O)CH3
  320397.4933  0.1258 -6.2144 3 1268.8057516  595161404645510 4    645411 4      C-13-H3C(O)CH3
  320400.6522  0.0060 -6.0359 3  164.1885408  595161404251412 2    251115 2      C-13-H3C(O)CH3
  320431.8681  0.1726 -6.3444 3 1583.4938B76  595161404735717 1    735618 1      C-13-H3C(O)CH3
  320435.2731  0.1136 -5.8231 3 1084.9617936  5951614045854 5 2    5853 5 2      C-13-H3C(O)CH3
  320436.3569  0.0934 -5.8233 3 1084.9709936  5951614045854 5 1    5853 6 1      C-13-H3C(O)CH3
  320440.6480  0.0136 -5.6547 3  747.6639904  595161404561838 1    561839 1      C-13-H3C(O)CH3
  320440.6480  0.0136 -5.6547 3  747.6639904  595161404561938 1    561739 1      C-13-H3C(O)CH3
  320440.6480  0.0136 -4.8059 3  747.6639904  595161404561938 1    561839 1      C-13-H3C(O)CH3
  320440.6480  0.0136 -4.8059 3  747.6639904  595161404561838 1    561739 1      C-13-H3C(O)CH3
  320441.7488  0.0147 -5.0427 3  747.6636904  595161404561838 2    561839 2      C-13-H3C(O)CH3
  320441.7488  0.0147 -5.0562 3  747.6636904  595161404561838 2    561739 2      C-13-H3C(O)CH3
  320441.7488  0.0147 -5.0427 3  747.6636904  595161404561938 2    561739 2      C-13-H3C(O)CH3
  320441.7488  0.0147 -5.0562 3  747.6636904  595161404561938 2    561839 2      C-13-H3C(O)CH3
  320469.7101  0.0060 -6.0363 3  164.1909408  595161404251412 1    251115 1      C-13-H3C(O)CH3
  320505.5907  0.0174 -6.6210 3  159.5251376  5951614042320 3 0    2317 6 0      C-13-H3C(O)CH3
  320505.6167  0.1556 -6.3444 3 1583.5350B76  595161404735716 0    735617 0      C-13-H3C(O)CH3
  320505.6167  0.1556 -6.3444 3 1583.5350B76  595161404735717 0    735618 0      C-13-H3C(O)CH3
  320515.8053  0.0333 -6.2681 3  243.1114616  59516140438 237 0    38 038 0      C-13-H3C(O)CH3
  320515.8053  0.0333 -4.9238 3  243.1114616  59516140438 237 0    38 138 0      C-13-H3C(O)CH3
  320515.8053  0.0333 -4.9238 3  243.1114616  59516140438 137 0    38 038 0      C-13-H3C(O)CH3
  320515.8053  0.0333 -6.2681 3  243.1114616  59516140438 137 0    38 138 0      C-13-H3C(O)CH3
  320517.0738  0.1149 -6.1242 3 1084.9866468  5951614045854 5 3    5853 6 3      C-13-H3C(O)CH3
  320517.3557  0.0140 -5.0517 3  747.6496452  595161404561938 3    561839 3      C-13-H3C(O)CH3
  320517.3557  0.0140 -5.0510 3  747.6496452  595161404561838 3    561739 3      C-13-H3C(O)CH3
  320517.4856  0.0140 -6.9238 3  747.6495452  595161404561838 4    561739 4      C-13-H3C(O)CH3
  320517.4856  0.0140 -5.0549 3  747.6495452  595161404561838 4    561839 4      C-13-H3C(O)CH3
  320517.4856  0.0140 -5.0549 3  747.6495452  595161404561938 4    561739 4      C-13-H3C(O)CH3
  320517.4856  0.0140 -6.9238 3  747.6495452  595161404561938 4    561839 4      C-13-H3C(O)CH3
  320520.0876  0.0226 -5.7552 3   81.1327140  5951614041714 4 3    1613 3 3      C-13-H3C(O)CH3
  320523.5805  0.1037 -5.8231 3 1084.9813936  5951614045854 4 1    5853 5 1      C-13-H3C(O)CH3
  320545.0313  0.0066 -4.1798 3  140.1533376 -595161404231310 0    2214 9 0      C-13-H3C(O)CH3
  320548.6966  0.0074 -4.1788 3  140.1555376 -595161404231310 2    2214 9 2      C-13-H3C(O)CH3
  320559.1757  0.0059 -6.0337 3  164.1893408  595161404251412 0    251115 0      C-13-H3C(O)CH3
  320569.5447  0.0951 -5.8230 3 1084.9581936  5951614045854 4 2    5853 6 2      C-13-H3C(O)CH3
  320573.9391  0.0977 -6.2044 3 1429.3892596  595161404743440 4    743341 4      C-13-H3C(O)CH3
  320573.9393  0.0977 -6.2044 3 1429.3892596  595161404743540 4    743441 4      C-13-H3C(O)CH3
  320573.9707  0.0977 -6.2043 3 1429.3892596  595161404743440 3    743341 3      C-13-H3C(O)CH3
  320573.9709  0.0977 -6.2043 3 1429.3892596  595161404743540 3    743441 3      C-13-H3C(O)CH3
  320594.6594  0.0029 -4.0029 3  172.3120260  59516140432 231 3    31 130 3      C-13-H3C(O)CH3
  320594.6594  0.0029 -4.0029 3  172.3120260  59516140432 131 3    31 230 3      C-13-H3C(O)CH3
  320594.6787  0.0029 -3.7846 3  172.3120260  59516140432 231 4    31 230 4      C-13-H3C(O)CH3
  320594.6787  0.0029 -4.2886 3  172.3120260  59516140432 131 4    31 230 4      C-13-H3C(O)CH3
  320594.7019  0.0029 -3.9343 3  172.3120260 -59516140432 131 3    31 130 3      C-13-H3C(O)CH3
  320594.7019  0.0029 -3.9343 3  172.3120260 -59516140432 231 3    31 230 3      C-13-H3C(O)CH3
  320594.7019  0.0029 -3.7846 3  172.3120260 -59516140432 131 4    31 130 4      C-13-H3C(O)CH3
  320594.7019  0.0029 -4.2886 3  172.3120260 -59516140432 231 4    31 130 4      C-13-H3C(O)CH3
  320600.0223  0.1024 -5.9033 3 1429.3711B92  595161404743440 1    743341 1      C-13-H3C(O)CH3
  320600.0225  0.1024 -5.9033 3 1429.3711B92  595161404743540 1    743441 1      C-13-H3C(O)CH3
  320603.3456  0.1000 -5.9035 3 1429.3739B92  595161404743440 2    743341 2      C-13-H3C(O)CH3
  320603.3458  0.1000 -5.9035 3 1429.3739B92  595161404743540 2    743441 2      C-13-H3C(O)CH3
  320603.7328  0.1393 -6.1240 3 1084.9968468  5951614045854 4 4    5853 5 4      C-13-H3C(O)CH3
  320614.6742  0.0031 -3.3654 3  172.2588520  59516140432 231 1    31 130 1      C-13-H3C(O)CH3
  320614.6742  0.0031 -3.3654 3  172.2588520  59516140432 131 1    31 230 1      C-13-H3C(O)CH3
  320614.7371  0.0030 -4.9601 3  172.2584520 -59516140432 131 2    31 130 2      C-13-H3C(O)CH3
  320614.7371  0.0030 -4.9601 3  172.2584520 -59516140432 231 2    31 230 2      C-13-H3C(O)CH3
  320614.7371  0.0031 -6.4146 3  172.2588520 -59516140432 231 1    31 230 1      C-13-H3C(O)CH3
  320614.7371  0.0031 -6.4146 3  172.2588520 -59516140432 131 1    31 130 1      C-13-H3C(O)CH3
  320614.7773  0.0030 -3.3762 3  172.2584520  59516140432 231 2    31 130 2      C-13-H3C(O)CH3
  320614.7773  0.0030 -3.3762 3  172.2584520  59516140432 131 2    31 230 2      C-13-H3C(O)CH3
  320629.3897  0.1035 -5.9031 3 1429.3558B92  595161404743440 0    743341 0      C-13-H3C(O)CH3
  320629.3898  0.1035 -5.9031 3 1429.3558B92  595161404743540 0    743441 0      C-13-H3C(O)CH3
  320634.7355  0.0026 -5.4790 3  172.2053520  59516140432 231 0    31 230 0      C-13-H3C(O)CH3
  320634.7355  0.0026 -3.3682 3  172.2053520  59516140432 131 0    31 230 0      C-13-H3C(O)CH3
  320634.7492  0.0026 -3.3682 3  172.2053520 -59516140432 231 0    31 130 0      C-13-H3C(O)CH3
  320634.7492  0.0026 -5.4790 3  172.2053520 -59516140432 131 0    31 130 0      C-13-H3C(O)CH3
  320651.3024  0.1119 -6.1241 3 1084.9831468  5951614045854 5 4    5853 6 4      C-13-H3C(O)CH3
  320675.7682  0.0173 -6.6207 3  159.5194376  5951614042320 4 0    2317 7 0      C-13-H3C(O)CH3
  320705.0016  0.0093 -6.4243 3   36.2271100  5951614041210 2 4    11 7 5 4      C-13-H3C(O)CH3
  320708.5246  0.0046 -5.2049 3  226.2340236  595161404291713 4    281810 4      C-13-H3C(O)CH3
  320715.8936  0.0081 -5.2043 3  226.2339236  595161404291713 3    281810 3      C-13-H3C(O)CH3
  320736.7464  0.0028 -3.9262 3   81.1327140  5951614041714 3 3    1613 3 3      C-13-H3C(O)CH3
  320738.7109  0.1138 -6.1239 3 1084.9933468  5951614045854 4 3    5853 5 3      C-13-H3C(O)CH3
  320744.7505  0.0135 -5.7360 3  308.1214536  595161404332311 1    332014 1      C-13-H3C(O)CH3
  320745.3737  0.0026 -3.9194 3   81.2017140  5951614041714 3 4    1613 3 4      C-13-H3C(O)CH3
  320751.0238  0.0030 -3.9199 3   81.0558140  5951614041714 4 4    1613 4 4      C-13-H3C(O)CH3
  320758.6941  0.0031 -3.9259 3   81.1247140  5951614041714 4 3    1613 4 3      C-13-H3C(O)CH3
  320780.0839  0.0089 -4.4755 3  140.1607188  595161404231310 3    2214 9 3      C-13-H3C(O)CH3
  320803.6592  0.0054 -4.9032 3  226.2492472  595161404291713 1    281810 1      C-13-H3C(O)CH3
  320819.7144  0.0075 -4.1760 3  140.1574376 -595161404231310 1    2214 9 1      C-13-H3C(O)CH3
  320822.5997  0.0193 -6.0860 3  308.0969268  595161404332311 3    332014 3      C-13-H3C(O)CH3
  320828.1073  0.0196 -5.6491 3  370.4361568  5951614043529 7 0    3430 4 0      C-13-H3C(O)CH3
  320828.1083  0.0196 -5.6491 3  370.4361568  5951614043529 6 0    3430 5 0      C-13-H3C(O)CH3
  320854.8844  0.0017 -4.1275 3  135.0292188 -595161404231112 3    221211 3      C-13-H3C(O)CH3
  320857.6178  0.0018 -4.1274 3  135.0292188 -595161404231112 4    221211 4      C-13-H3C(O)CH3
  320864.7010  0.0053 -4.8986 3  226.2416472  595161404291713 2    281810 2      C-13-H3C(O)CH3
  320874.4167  0.0095 -4.4765 3  140.1584188 -595161404231310 4    2214 9 4      C-13-H3C(O)CH3
  320889.1415  0.0192 -5.6498 3  370.4024568  5951614043529 6 1    3430 4 1      C-13-H3C(O)CH3
  320903.6608  0.3810 -6.8110 3 1861.1275C88  595161404805921 1    805822 1      C-13-H3C(O)CH3
  320935.4697  0.0160 -6.0005 3  308.0968268  595161404332311 4    332014 4      C-13-H3C(O)CH3
  320948.4245  0.0018 -3.8270 3  135.0195376 -595161404231112 2    221211 2      C-13-H3C(O)CH3
  320951.3610  0.0018 -3.8265 3  135.0232376 -595161404231112 1    221211 1      C-13-H3C(O)CH3
  320953.6588  0.0025 -3.6177 3   81.1549280 -5951614041714 3 1    1613 3 1      C-13-H3C(O)CH3
  320955.3676  0.0040 -4.8984 3  226.2569472  595161404291713 0    281810 0      C-13-H3C(O)CH3
  320961.0944  0.0327 -5.3265 3 1104.7067A64  595161404662739 0    662640 0      C-13-H3C(O)CH3
  320961.0944  0.0327 -5.3252 3 1104.7067A64  595161404662839 0    662740 0      C-13-H3C(O)CH3
  320965.7063  0.0027 -3.6179 3   81.0781280 -5951614041714 4 1    1613 4 1      C-13-H3C(O)CH3
  320975.3529  0.0226 -5.7543 3   81.1247140  5951614041714 3 3    1613 4 3      C-13-H3C(O)CH3
  320976.3906  0.0344 -5.3590 3 1104.7223A64  595161404662839 1    662640 1      C-13-H3C(O)CH3
  320976.3906  0.0344 -6.4324 3 1104.7223A64  595161404662839 1    662740 1      C-13-H3C(O)CH3
  320976.3906  0.0344 -5.3591 3 1104.7223A64  595161404662739 1    662740 1      C-13-H3C(O)CH3
  320976.3906  0.0344 -6.4314 3 1104.7223A64  595161404662739 1    662640 1      C-13-H3C(O)CH3
  320980.9936  0.0400 -5.3842 3 1104.7234A64  595161404662739 2    662640 2      C-13-H3C(O)CH3
  320980.9936  0.0400 -5.3869 3 1104.7234A64  595161404662839 2    662740 2      C-13-H3C(O)CH3
  320980.9936  0.0400 -6.2108 3 1104.7234A64  595161404662739 2    662740 2      C-13-H3C(O)CH3
  320980.9936  0.0400 -6.1929 3 1104.7234A64  595161404662839 2    662640 2      C-13-H3C(O)CH3
  320986.3066  0.0053 -4.8404 3   54.2650124  59516140415 8 7 3    14 7 8 3      C-13-H3C(O)CH3
  320996.3491  0.0397 -5.6254 3 1104.7390532  595161404662739 3    662640 3      C-13-H3C(O)CH3
  320996.3491  0.0397 -5.6254 3 1104.7390532  595161404662839 3    662740 3      C-13-H3C(O)CH3
  320996.3904  0.0025 -3.6177 3   81.0890280 -5951614041714 4 2    1613 4 2      C-13-H3C(O)CH3
  320996.4274  0.0398 -5.6533 3 1104.7391532  595161404662739 4    662740 4      C-13-H3C(O)CH3
  320996.4274  0.0398 -6.8180 3 1104.7391532  595161404662839 4    662740 4      C-13-H3C(O)CH3
  320996.4274  0.0398 -5.6536 3 1104.7391532  595161404662839 4    662640 4      C-13-H3C(O)CH3
  320996.4274  0.0398 -6.8212 3 1104.7391532  595161404662739 4    662640 4      C-13-H3C(O)CH3
  321003.2348  0.0027 -3.6173 3   81.1579280 -5951614041714 3 2    1613 3 2      C-13-H3C(O)CH3
  321016.9392  0.0075 -4.8404 3   54.2650124  59516140415 8 7 4    14 7 8 4      C-13-H3C(O)CH3
  321027.3772  0.3236 -6.8106 3 1861.0808C88  595161404805922 1    805823 1      C-13-H3C(O)CH3
  321034.2776  0.1824 -6.6939 3 1693.8256644  595161404803941 4    803842 4      C-13-H3C(O)CH3
  321034.2876  0.1824 -6.6939 3 1693.8256644  595161404804041 4    803942 4      C-13-H3C(O)CH3
  321034.3495  0.1825 -6.6939 3 1693.8256644  595161404803941 3    803842 3      C-13-H3C(O)CH3
  321034.3596  0.1825 -6.6939 3 1693.8256644  595161404804041 3    803942 3      C-13-H3C(O)CH3
  321041.8819  0.0108 -5.6953 3  308.1407536  595161404332311 0    332014 0      C-13-H3C(O)CH3
  321043.3364  0.0017 -3.8271 3  135.0136376 -595161404231112 0    221211 0      C-13-H3C(O)CH3
  321046.6118  0.0059 -4.5384 3   54.2211248 -59516140415 8 7 2    14 7 8 2      C-13-H3C(O)CH3
  321053.1735  0.3905 -6.8107 3 1861.1220C88  595161404805921 2    805822 2      C-13-H3C(O)CH3
  321060.3100  0.0106 -6.2196 3  714.0693888  595161404551838 0    551739 0      C-13-H3C(O)CH3
  321060.3100  0.0106 -4.7133 3  714.0693888  595161404551738 0    551739 0      C-13-H3C(O)CH3
  321060.3100  0.0106 -4.7133 3  714.0693888  595161404551838 0    551639 0      C-13-H3C(O)CH3
  321060.3100  0.0106 -6.2196 3  714.0693888  595161404551738 0    551639 0      C-13-H3C(O)CH3
  321066.5999  0.2020 -6.3928 3 1693.8177C88  595161404803941 1    803842 1      C-13-H3C(O)CH3
  321066.6107  0.2020 -6.3928 3 1693.8177C88  595161404804041 1    803942 1      C-13-H3C(O)CH3
  321067.2859  0.1909 -6.3929 3 1693.8208C88  595161404803941 2    803842 2      C-13-H3C(O)CH3
  321067.2939  0.1909 -6.3929 3 1693.8208C88  595161404804041 2    803942 2      C-13-H3C(O)CH3
  321084.7696  0.2921 -6.8105 3 1861.0900C88  595161404805922 2    805823 2      C-13-H3C(O)CH3
  321085.8927  0.0089 -5.6705 3  281.2456520  595161404322013 0    321716 0      C-13-H3C(O)CH3
  321091.0054  0.0302 -5.6349 3  441.1250648  595161404402416 2    402119 2      C-13-H3C(O)CH3
  321099.4748  0.2040 -6.3926 3 1693.8129C88  595161404803941 0    803842 0      C-13-H3C(O)CH3
  321099.4835  0.2040 -6.3926 3 1693.8129C88  595161404804041 0    803942 0      C-13-H3C(O)CH3
  321100.1896  0.0087 -5.6714 3  281.2261520  595161404322013 1    321716 1      C-13-H3C(O)CH3
  321135.1985  0.0125 -6.5946 3  714.0516888  595161404551838 1    551739 1      C-13-H3C(O)CH3
  321135.1985  0.0125 -4.7052 3  714.0516888  595161404551738 1    551739 1      C-13-H3C(O)CH3
  321135.1985  0.0125 -4.7052 3  714.0516888  595161404551838 1    551639 1      C-13-H3C(O)CH3
  321135.1985  0.0125 -6.5946 3  714.0516888  595161404551738 1    551639 1      C-13-H3C(O)CH3
  321135.8556  0.0131 -5.0862 3  714.0512888  595161404551838 2    551639 2      C-13-H3C(O)CH3
  321135.8556  0.0131 -4.9293 3  714.0512888  595161404551838 2    551739 2      C-13-H3C(O)CH3
  321135.8556  0.0131 -4.9293 3  714.0512888  595161404551738 2    551639 2      C-13-H3C(O)CH3
  321135.8556  0.0131 -5.0862 3  714.0512888  595161404551738 2    551739 2      C-13-H3C(O)CH3
  321142.2357  0.0088 -5.6714 3  281.2214520  595161404322013 2    321716 2      C-13-H3C(O)CH3
  321146.6255  0.0329 -5.9354 3  441.1020324  595161404402416 3    402119 3      C-13-H3C(O)CH3
  321149.9890  0.0325 -5.9354 3  441.1020324  595161404402416 4    402119 4      C-13-H3C(O)CH3
  321153.1410  0.0085 -5.9732 3  281.2019260  595161404322013 4    321716 4      C-13-H3C(O)CH3
  321154.3619  0.0057 -4.5385 3   54.2227248 -59516140415 8 7 1    14 7 8 1      C-13-H3C(O)CH3
  321154.8142  0.0084 -5.9732 3  281.2019260  595161404322013 3    321716 3      C-13-H3C(O)CH3
  321155.4775  0.0206 -5.6484 3  370.3757568  5951614043529 7 1    3430 5 1      C-13-H3C(O)CH3
  321170.5561  0.0126 -5.7246 3  308.1163536  595161404332311 2    332014 2      C-13-H3C(O)CH3
  321171.0359  0.0195 -5.6487 3  370.4018568  5951614043529 6 2    3430 4 2      C-13-H3C(O)CH3
  321184.1484  0.0025 -3.6166 3   81.1118280 -5951614041714 4 0    1613 3 0      C-13-H3C(O)CH3
  321186.9133  0.0102 -5.6174 3  320.9551552  595161404342213 1    341916 1      C-13-H3C(O)CH3
  321192.2444  0.3535 -6.8104 3 1861.1245C88  595161404805921 0    805822 0      C-13-H3C(O)CH3
  321192.2449  0.3535 -6.8104 3 1861.1245C88  595161404805922 0    805823 0      C-13-H3C(O)CH3
  321199.6651  0.0193 -5.6475 3  370.3931568  5951614043529 7 2    3430 5 2      C-13-H3C(O)CH3
  321199.7462  0.0104 -5.6170 3  320.9765552  595161404342213 0    341916 0      C-13-H3C(O)CH3
  321200.2111  0.0056 -4.5375 3   54.1790248 -59516140415 8 7 0    14 7 8 0      C-13-H3C(O)CH3
  321208.3507  0.0118 -6.7386 3  308.1214536  595161404332310 1    332014 1      C-13-H3C(O)CH3
  321210.8464  0.0130 -5.0034 3  714.0335444  595161404551838 3    551739 3      C-13-H3C(O)CH3
  321210.8464  0.0130 -5.0034 3  714.0335444  595161404551738 3    551639 3      C-13-H3C(O)CH3
  321210.9556  0.0130 -5.0125 3  714.0335444  595161404551838 4    551639 4      C-13-H3C(O)CH3
  321210.9556  0.0130 -5.0125 3  714.0335444  595161404551738 4    551739 4      C-13-H3C(O)CH3
  321210.9556  0.0130 -6.5626 3  714.0335444  595161404551738 4    551639 4      C-13-H3C(O)CH3
  321210.9556  0.0130 -6.5626 3  714.0335444  595161404551838 4    551739 4      C-13-H3C(O)CH3
  321230.9013  0.0218 -5.9504 3  370.3682284  5951614043529 6 4    3430 4 4      C-13-H3C(O)CH3
  321237.3489  0.0025 -3.6165 3   81.1105280 -5951614041714 3 0    1613 4 0      C-13-H3C(O)CH3
  321258.1575  0.0212 -5.9492 3  370.3595284  5951614043529 6 3    3430 4 3      C-13-H3C(O)CH3
  321329.8029  0.0039 -5.0533 3   43.5354116  59516140414 6 8 3    13 5 9 3      C-13-H3C(O)CH3
  321332.6133  0.0054 -5.0533 3   43.5354116  59516140414 6 8 4    13 5 9 4      C-13-H3C(O)CH3
  321340.9718  0.0257 -6.6831 3  763.3812872  595161404542529 0    532826 0      C-13-H3C(O)CH3
  321341.3365  0.0103 -5.9197 3  320.9282276  595161404342213 3    341916 3      C-13-H3C(O)CH3
  321345.7569  0.0099 -5.9194 3  320.9282276  595161404342213 4    341916 4      C-13-H3C(O)CH3
  321348.7012  0.1032 -5.8589 3 1057.7880920  5951614045754 3 0    5753 4 0      C-13-H3C(O)CH3
  321348.7012  0.1032 -5.8589 3 1057.7880920  5951614045754 4 0    5753 5 0      C-13-H3C(O)CH3
  321356.2807  0.0294 -6.6823 3  763.3788872  595161404542529 1    532826 1      C-13-H3C(O)CH3
  321360.4412  0.0102 -5.6182 3  320.9495552  595161404342213 2    341916 2      C-13-H3C(O)CH3
  321363.0796  0.0257 -6.6831 3  763.3804872  595161404542629 0    532726 0      C-13-H3C(O)CH3
  321369.5479  0.0341 -6.6814 3  763.3781872  595161404542529 2    532826 2      C-13-H3C(O)CH3
  321379.9810  0.0293 -6.6823 3  763.3780872  595161404542629 1    532726 1      C-13-H3C(O)CH3
  321381.9907  0.0187 -5.6370 3  441.1530648  595161404402416 0    402119 0      C-13-H3C(O)CH3
  321393.3250  0.0343 -6.6813 3  763.3773872  595161404542629 2    532726 2      C-13-H3C(O)CH3
  321400.2562  0.0016 -4.0294 3  142.4333196 -595161404241014 3    231113 3      C-13-H3C(O)CH3
  321400.2562  0.0017 -4.0294 3  142.4333196 -595161404241014 4    231113 4      C-13-H3C(O)CH3
  321422.3075  0.1007 -5.8590 3 1057.8200920  5951614045754 4 1    5753 5 1      C-13-H3C(O)CH3
  321429.8315  0.0197 -6.7303 3  308.0969268  595161404332310 3    332014 3      C-13-H3C(O)CH3
  321432.7081  0.0017 -4.0293 3  142.4324196 -595161404241114 4    231013 4      C-13-H3C(O)CH3
  321433.1267  0.0016 -4.0293 3  142.4324196 -595161404241114 3    231013 3      C-13-H3C(O)CH3
  321435.2994  0.0200 -5.6365 3  441.1301648  595161404402416 1    402119 1      C-13-H3C(O)CH3
  321484.8044  0.0019 -3.7284 3  142.4286392 -595161404241014 1    231113 1      C-13-H3C(O)CH3
  321490.1533  0.1246 -5.8587 3 1057.8053920  5951614045754 4 2    5753 5 2      C-13-H3C(O)CH3
  321490.9826  0.0018 -3.7286 3  142.4258392 -595161404241014 2    231113 2      C-13-H3C(O)CH3
  321491.7128  0.1514 -6.3838 3 1404.9045548  595161404685612 4    685513 4      C-13-H3C(O)CH3
  321495.4814  0.0211 -5.9490 3  370.3415284  5951614043529 7 3    3430 5 3      C-13-H3C(O)CH3
  321517.4960  0.0019 -3.7283 3  142.4277392 -595161404241114 1    231013 1      C-13-H3C(O)CH3
  321523.4223  0.0238 -5.9478 3  370.3326284  5951614043529 7 4    3430 5 4      C-13-H3C(O)CH3
  321524.8998  0.0018 -3.7285 3  142.4249392 -595161404241114 2    231013 2      C-13-H3C(O)CH3
  321550.7820  0.1127 -5.8587 3 1057.8283920  5951614045754 3 1    5753 4 1      C-13-H3C(O)CH3
  321562.1468  0.0046 -4.7511 3   43.4834232  59516140414 6 8 2    13 5 9 2      C-13-H3C(O)CH3
  321564.9551  0.1266 -6.1598 3 1057.8373460  5951614045754 4 3    5753 5 3      C-13-H3C(O)CH3
  321569.9094  0.1112 -5.8915 3 1238.7295A16  5951614046355 8 2    6354 9 2      C-13-H3C(O)CH3
  321575.3362  0.0017 -3.7286 3  142.4212392 -595161404241014 0    231113 0      C-13-H3C(O)CH3
  321589.6775  0.0045 -4.7512 3   43.4843232  59516140414 6 8 1    13 5 9 1      C-13-H3C(O)CH3
  321590.5095  0.1170 -6.1926 3 1238.7490508  5951614046355 8 4    6354 9 4      C-13-H3C(O)CH3
  321596.7930  0.0147 -6.9032 3  308.1163536  595161404332310 2    332014 2      C-13-H3C(O)CH3
  321602.3506  0.1028 -5.8586 3 1057.8092920  5951614045754 3 2    5753 4 2      C-13-H3C(O)CH3
  321609.2296  0.0017 -3.7285 3  142.4202392 -595161404241114 0    231013 0      C-13-H3C(O)CH3
  321611.6147  0.1433 -6.0825 3 1404.8947A96  595161404685612 2    685513 2      C-13-H3C(O)CH3
  321618.7252  0.1383 -6.3836 3 1404.8588548  595161404685613 3    685514 3      C-13-H3C(O)CH3
  321622.0274  0.1484 -6.3836 3 1404.8666548  595161404685612 3    685513 3      C-13-H3C(O)CH3
  321625.1225  0.1128 -5.7073 3  754.4341840  595161404523319 0    523022 0      C-13-H3C(O)CH3
  321635.5183  0.1059 -6.1926 3 1238.7246508  5951614046355 8 3    6354 9 3      C-13-H3C(O)CH3
  321669.3218  0.0052 -5.0528 3   43.5353116  59516140414 7 8 4    13 4 9 4      C-13-H3C(O)CH3
  321669.5414  0.1148 -5.8914 3 1238.7157A16  5951614046355 9 0    6354 9 0      C-13-H3C(O)CH3
  321669.5414  0.1148 -5.8914 3 1238.7157A16  5951614046355 8 0    635410 0      C-13-H3C(O)CH3
  321670.1301  0.0039 -5.0528 3   43.5353116  59516140414 7 8 3    13 4 9 3      C-13-H3C(O)CH3
  321677.0862  0.1195 -6.1598 3 1057.8412460  5951614045754 4 4    5753 5 4      C-13-H3C(O)CH3
  321683.9949  0.1290 -6.0824 3 1404.8904A96  595161404685612 1    685513 1      C-13-H3C(O)CH3
  321690.7873  0.1042 -5.8914 3 1238.7353A16  5951614046355 8 1    6354 9 1      C-13-H3C(O)CH3
  321693.2567  0.1547 -6.1595 3 1057.8455460  5951614045754 3 4    5753 4 4      C-13-H3C(O)CH3
  321701.2703  0.0038 -3.6772 3  174.0534268 -59516140433 033 4    32 132 4      C-13-H3C(O)CH3
  321701.2703  0.0038 -4.7573 3  174.0534268 -59516140433 033 3    32 132 3      C-13-H3C(O)CH3
  321701.2703  0.0038 -4.7573 3  174.0534268 -59516140433 133 3    32 032 3      C-13-H3C(O)CH3
  321701.2703  0.0038 -3.6772 3  174.0534268 -59516140433 133 4    32 032 4      C-13-H3C(O)CH3
  321701.3262  0.0038 -4.6785 3  174.0534268  59516140433 033 4    32 032 4      C-13-H3C(O)CH3
  321701.3262  0.0038 -4.6785 3  174.0534268  59516140433 133 4    32 132 4      C-13-H3C(O)CH3
  321701.3299  0.0038 -3.6701 3  174.0534268  59516140433 033 3    32 032 3      C-13-H3C(O)CH3
  321701.3299  0.0038 -3.6701 3  174.0534268  59516140433 133 3    32 132 3      C-13-H3C(O)CH3
  321706.6437  0.0044 -4.0493 3  173.9847536  59516140433 133 1    32 132 1      C-13-H3C(O)CH3
  321706.6437  0.0044 -4.0493 3  173.9847536  59516140433 033 1    32 032 1      C-13-H3C(O)CH3
  321706.7764  0.0042 -3.8053 3  173.9843536  59516140433 133 2    32 032 2      C-13-H3C(O)CH3
  321706.7764  0.0042 -3.5142 3  173.9843536  59516140433 033 2    32 032 2      C-13-H3C(O)CH3
  321706.7928  0.0042 -3.5142 3  173.9843536 -59516140433 133 2    32 132 2      C-13-H3C(O)CH3
  321706.7928  0.0044 -3.4279 3  173.9847536 -59516140433 133 1    32 032 1      C-13-H3C(O)CH3
  321706.7928  0.0042 -3.8053 3  173.9843536 -59516140433 033 2    32 132 2      C-13-H3C(O)CH3
  321706.7928  0.0044 -3.4279 3  173.9847536 -59516140433 033 1    32 132 1      C-13-H3C(O)CH3
  321712.0713  0.0038 -3.4247 3  173.9158536  59516140433 133 0    32 132 0      C-13-H3C(O)CH3
  321712.0713  0.0038 -3.4247 3  173.9158536  59516140433 033 0    32 032 0      C-13-H3C(O)CH3
  321712.1342  0.0038 -4.0623 3  173.9158536 -59516140433 133 0    32 032 0      C-13-H3C(O)CH3
  321712.1342  0.0038 -4.0623 3  173.9158536 -59516140433 033 0    32 132 0      C-13-H3C(O)CH3
  321722.3653  0.0096 -4.8945 3  681.0407872  595161404541638 0    541539 0      C-13-H3C(O)CH3
  321722.3653  0.0096 -4.8945 3  681.0407872  595161404541738 0    541639 0      C-13-H3C(O)CH3
  321722.3653  0.0096 -5.0254 3  681.0407872  595161404541638 0    541639 0      C-13-H3C(O)CH3
  321722.3653  0.0096 -5.0254 3  681.0407872  595161404541738 0    541539 0      C-13-H3C(O)CH3
  321728.7015  0.1052 -5.8913 3 1238.6989A16  5951614046355 9 2    635410 2      C-13-H3C(O)CH3
  321734.8458  0.0982 -5.8914 3 1238.7108A16  5951614046355 9 1    635410 1      C-13-H3C(O)CH3
  321738.4131  0.1262 -6.0823 3 1404.8490A96  595161404685613 2    685514 2      C-13-H3C(O)CH3
  321748.6232  0.1587 -6.3833 3 1404.8209548  595161404685613 4    685514 4      C-13-H3C(O)CH3
  321749.8818  0.1096 -6.1924 3 1238.7185508  5951614046355 9 3    635410 3      C-13-H3C(O)CH3
  321793.8863  0.0115 -6.4421 3  681.0195872  595161404541638 1    541639 1      C-13-H3C(O)CH3
  321793.8863  0.0115 -4.6608 3  681.0195872  595161404541638 1    541539 1      C-13-H3C(O)CH3
  321793.8863  0.0115 -4.6608 3  681.0195872  595161404541738 1    541639 1      C-13-H3C(O)CH3
  321793.8863  0.0115 -6.4421 3  681.0195872  595161404541738 1    541539 1      C-13-H3C(O)CH3
  321794.1286  0.0118 -5.0137 3  681.0191872  595161404541638 2    541539 2      C-13-H3C(O)CH3
  321794.1286  0.0118 -4.9028 3  681.0191872  595161404541738 2    541539 2      C-13-H3C(O)CH3
  321794.1286  0.0118 -5.0137 3  681.0191872  595161404541738 2    541639 2      C-13-H3C(O)CH3
  321794.1286  0.0118 -4.9028 3  681.0191872  595161404541638 2    541639 2      C-13-H3C(O)CH3
  321794.1907  0.1218 -6.1923 3 1238.6940508  5951614046355 9 4    635410 4      C-13-H3C(O)CH3
  321801.3333  0.0625 -6.8722 3  462.0732664  595161404412417 2    402713 2      C-13-H3C(O)CH3
  321803.2782  0.1266 -6.0822 3 1404.8806A96  595161404685613 0    685513 0      C-13-H3C(O)CH3
  321803.2782  0.1266 -6.0822 3 1404.8806A96  595161404685612 0    685514 0      C-13-H3C(O)CH3
  321806.0371  0.1245 -6.1595 3 1057.8494460  5951614045754 3 3    5753 4 3      C-13-H3C(O)CH3
  321813.7643  0.1234 -6.0822 3 1404.8525A96  595161404685613 1    685514 1      C-13-H3C(O)CH3
  321820.2679  0.0046 -4.7500 3   43.4325232  59516140414 6 8 0    13 5 9 0      C-13-H3C(O)CH3
  321865.7476  0.0122 -5.6620 3  680.9979436  595161404541638 3    541639 3      C-13-H3C(O)CH3
  321865.7476  0.0122 -5.6620 3  680.9979436  595161404541738 3    541539 3      C-13-H3C(O)CH3
  321865.7476  0.0122 -5.0492 3  680.9979436  595161404541638 3    541539 3      C-13-H3C(O)CH3
  321865.7476  0.0122 -5.0492 3  680.9979436  595161404541738 3    541639 3      C-13-H3C(O)CH3
  321865.8279  0.0122 -5.0879 3  680.9978436  595161404541738 4    541639 4      C-13-H3C(O)CH3
  321865.8279  0.0122 -5.0879 3  680.9978436  595161404541638 4    541539 4      C-13-H3C(O)CH3
  321865.8279  0.0122 -5.5318 3  680.9978436  595161404541738 4    541539 4      C-13-H3C(O)CH3
  321865.8279  0.0122 -5.5318 3  680.9978436  595161404541638 4    541639 4      C-13-H3C(O)CH3
  321913.6231  0.0045 -4.7506 3   43.4833232  59516140414 7 8 2    13 4 9 2      C-13-H3C(O)CH3
  321915.4246  0.3301 -6.8386 3 1700.9961612  595161404765818 4    765719 4      C-13-H3C(O)CH3
  321933.7268  0.0044 -4.7507 3   43.4842232  59516140414 7 8 1    13 4 9 1      C-13-H3C(O)CH3
  321960.9878  0.0458 -5.6716 3  694.4771808  595161404503119 0    502822 0      C-13-H3C(O)CH3
  321967.6395  0.2482 -6.8383 3 1700.9537612  595161404765818 3    765719 3      C-13-H3C(O)CH3
  321988.4716  0.0408 -5.6695 3  694.4607808  595161404503119 2    502822 2      C-13-H3C(O)CH3
  321991.0954  0.0018 -3.9607 3  149.2004204 -59516140425 916 4    241015 4      C-13-H3C(O)CH3
  321991.0954  0.0017 -3.9607 3  149.2004204 -59516140425 916 3    241015 3      C-13-H3C(O)CH3
  321991.5171  0.0017 -3.9607 3  149.2004204 -595161404251016 3    24 915 3      C-13-H3C(O)CH3
  321991.5171  0.0018 -3.9607 3  149.2004204 -595161404251016 4    24 915 4      C-13-H3C(O)CH3
  322014.7890  0.0465 -5.6701 3  694.4649808  595161404503119 1    502822 1      C-13-H3C(O)CH3
  322020.4068  0.0394 -5.9685 3  694.4483404  595161404503119 3    502822 3      C-13-H3C(O)CH3
  322038.5315  0.0283 -5.2866 3 1065.3268A48  595161404652639 0    652640 0      C-13-H3C(O)CH3
  322038.5315  0.0283 -6.4031 3 1065.3268A48  595161404652639 0    652540 0      C-13-H3C(O)CH3
  322038.5315  0.0283 -6.3354 3 1065.3268A48  595161404652739 0    652640 0      C-13-H3C(O)CH3
  322038.5315  0.0283 -5.2923 3 1065.3268A48  595161404652739 0    652540 0      C-13-H3C(O)CH3
  322051.0080  0.3031 -6.8336 3 1927.6980D68  595161404854342 2    854243 2      C-13-H3C(O)CH3
  322051.1278  0.3031 -6.8336 3 1927.6980D68  595161404854442 2    854343 2      C-13-H3C(O)CH3
  322051.2652  0.3157 -6.8335 3 1927.6959D68  595161404854342 1    854243 1      C-13-H3C(O)CH3
  322051.4185  0.3158 -6.8335 3 1927.6959D68  595161404854442 1    854343 1      C-13-H3C(O)CH3
  322062.4719  0.0304 -6.2250 3 1065.3406A48  595161404652739 1    652640 1      C-13-H3C(O)CH3
  322062.4719  0.0304 -5.3103 3 1065.3406A48  595161404652639 1    652640 1      C-13-H3C(O)CH3
  322062.4719  0.0304 -5.3037 3 1065.3406A48  595161404652739 1    652540 1      C-13-H3C(O)CH3
  322062.4719  0.0304 -6.1741 3 1065.3406A48  595161404652639 1    652540 1      C-13-H3C(O)CH3
  322066.5393  0.0020 -3.6596 3  149.1957408 -59516140425 916 1    241015 1      C-13-H3C(O)CH3
  322066.9136  0.0361 -5.2745 3 1065.3416A48  595161404652639 2    652640 2      C-13-H3C(O)CH3
  322066.9136  0.0361 -6.6021 3 1065.3416A48  595161404652739 2    652640 2      C-13-H3C(O)CH3
  322066.9136  0.0361 -5.2745 3 1065.3416A48  595161404652739 2    652540 2      C-13-H3C(O)CH3
  322066.9136  0.0361 -6.6021 3 1065.3416A48  595161404652639 2    652540 2      C-13-H3C(O)CH3
  322066.9442  0.0020 -3.6596 3  149.1957408 -595161404251016 1    24 915 1      C-13-H3C(O)CH3
  322070.2417  0.0019 -3.6598 3  149.1937408 -59516140425 916 2    241015 2      C-13-H3C(O)CH3
  322070.7204  0.0019 -3.6598 3  149.1937408 -595161404251016 2    24 915 2      C-13-H3C(O)CH3
  322072.2594  0.3181 -6.8334 3 1927.7006D68  595161404854342 0    854243 0      C-13-H3C(O)CH3
  322072.3915  0.3181 -6.8334 3 1927.7006D68  595161404854442 0    854343 0      C-13-H3C(O)CH3
  322072.4202  0.2974 -6.8382 3 1700.9479612  595161404765819 3    765720 3      C-13-H3C(O)CH3
  322085.9141  0.0377 -5.9695 3  694.4484404  595161404503119 4    502822 4      C-13-H3C(O)CH3
  322090.1602  0.0866 -6.1216 3 1385.4655588  595161404733340 4    733241 4      C-13-H3C(O)CH3
  322090.1603  0.0866 -6.1216 3 1385.4655588  595161404733440 4    733341 4      C-13-H3C(O)CH3
  322090.1801  0.0866 -6.1216 3 1385.4654588  595161404733340 3    733241 3      C-13-H3C(O)CH3
  322090.1801  0.0866 -6.1216 3 1385.4654588  595161404733440 3    733341 3      C-13-H3C(O)CH3
  322090.9209  0.0352 -5.5575 3 1065.3554524  595161404652639 3    652540 3      C-13-H3C(O)CH3
  322090.9209  0.0352 -5.5571 3 1065.3554524  595161404652739 3    652640 3      C-13-H3C(O)CH3
  322091.0157  0.0353 -5.5555 3 1065.3554524  595161404652739 4    652540 4      C-13-H3C(O)CH3
  322091.0157  0.0353 -5.5556 3 1065.3554524  595161404652639 4    652640 4      C-13-H3C(O)CH3
  322097.4141  0.2493 -6.5372 3 1700.9901C24  595161404765818 1    765719 1      C-13-H3C(O)CH3
  322109.0954  0.2256 -6.5944 3 1548.9354580  595161404725715 4    725616 4      C-13-H3C(O)CH3
  322112.4011  0.0888 -5.8206 3 1385.4462B76  595161404733340 1    733241 1      C-13-H3C(O)CH3
  322112.4012  0.0888 -5.8206 3 1385.4462B76  595161404733440 1    733341 1      C-13-H3C(O)CH3
  322116.0875  0.0879 -5.8209 3 1385.4488B76  595161404733340 2    733241 2      C-13-H3C(O)CH3
  322116.0876  0.0879 -5.8209 3 1385.4488B76  595161404733440 2    733341 2      C-13-H3C(O)CH3
  322124.6604  0.2281 -6.8379 3 1700.9055612  595161404765819 4    765720 4      C-13-H3C(O)CH3
  322138.3114  0.0896 -5.8204 3 1385.4296B76  595161404733340 0    733241 0      C-13-H3C(O)CH3
  322138.3115  0.0896 -5.8204 3 1385.4296B76  595161404733440 0    733341 0      C-13-H3C(O)CH3
  322145.3459  0.0018 -3.6597 3  149.1890408 -59516140425 916 0    241015 0      C-13-H3C(O)CH3
  322145.7904  0.0018 -3.6597 3  149.1890408 -595161404251016 0    24 915 0      C-13-H3C(O)CH3
  322177.2446  0.0045 -4.7495 3   43.4323232  59516140414 7 8 0    13 4 9 0      C-13-H3C(O)CH3
  322178.2928  0.2796 -6.5370 3 1700.9932C24  595161404765818 2    765719 2      C-13-H3C(O)CH3
  322197.5685  0.1796 -6.5941 3 1548.8877580  595161404725716 3    725617 3      C-13-H3C(O)CH3
  322230.5510  0.1968 -6.5368 3 1700.9507C24  595161404765819 2    765720 2      C-13-H3C(O)CH3
  322254.4795  0.2235 -6.5368 3 1700.9420C24  595161404765819 1    765720 1      C-13-H3C(O)CH3
  322268.9124  0.2133 -6.5940 3 1548.8903580  595161404725715 3    725616 3      C-13-H3C(O)CH3
  322281.1299  0.1115 -5.9237 3 1031.1256904  5951614045654 2 0    5653 4 0      C-13-H3C(O)CH3
  322281.1299  0.1115 -5.9237 3 1031.1256904  5951614045654 3 0    5653 3 0      C-13-H3C(O)CH3
  322291.1466  0.0016 -4.1224 3  134.9919188 -595161404231212 4    221111 4      C-13-H3C(O)CH3
  322295.5667  0.0018 -4.1225 3  134.9917188 -595161404231212 3    221111 3      C-13-H3C(O)CH3
  322313.6070  0.1991 -6.2930 3 1548.9304B60  595161404725715 2    725616 2      C-13-H3C(O)CH3
  322313.9987  0.1733 -6.2929 3 1548.9239B60  595161404725715 1    725616 1      C-13-H3C(O)CH3
  322321.8427  0.1018 -5.7101 3  754.4178840  595161404523319 1    523022 1      C-13-H3C(O)CH3
  322342.8686  0.1104 -5.9238 3 1031.1646904  5951614045654 3 1    5653 4 1      C-13-H3C(O)CH3
  322353.5821  0.0086 -5.0016 3  648.5930856  595161404531538 0    531439 0      C-13-H3C(O)CH3
  322353.5821  0.0086 -4.8376 3  648.5930856  595161404531538 0    531539 0      C-13-H3C(O)CH3
  322353.5821  0.0086 -4.8376 3  648.5930856  595161404531638 0    531439 0      C-13-H3C(O)CH3
  322353.5821  0.0086 -5.0016 3  648.5930856  595161404531638 0    531539 0      C-13-H3C(O)CH3
  322357.1672  0.1923 -6.5938 3 1548.8427580  595161404725716 4    725617 4      C-13-H3C(O)CH3
  322360.2309  0.2105 -6.5367 3 1700.9873C24  595161404765818 0    765719 0      C-13-H3C(O)CH3
  322360.2309  0.2105 -6.5367 3 1700.9873C24  595161404765819 0    765720 0      C-13-H3C(O)CH3
  322387.1781  0.0173 -5.3884 3  232.3194236  595161404291911 4    2820 8 4      C-13-H3C(O)CH3
  322397.1687  0.0019 -3.8215 3  134.9856376 -595161404231212 1    221111 1      C-13-H3C(O)CH3
  322402.0410  0.1499 -6.2927 3 1548.8827B60  595161404725716 2    725617 2      C-13-H3C(O)CH3
  322406.8310  0.0180 -6.7108 3  198.9685212  5951614042621 5 3    2618 8 3      C-13-H3C(O)CH3
  322418.4317  0.0106 -4.6109 3  648.5683856  595161404531538 2    531539 2      C-13-H3C(O)CH3
  322418.4317  0.0106 -4.6109 3  648.5683856  595161404531638 2    531439 2      C-13-H3C(O)CH3
  322418.5658  0.0106 -6.2840 3  648.5687856  595161404531538 1    531539 1      C-13-H3C(O)CH3
  322418.5658  0.0106 -4.6199 3  648.5687856  595161404531638 1    531539 1      C-13-H3C(O)CH3
  322418.5658  0.0106 -6.2840 3  648.5687856  595161404531638 1    531439 1      C-13-H3C(O)CH3
  322418.5658  0.0106 -4.6199 3  648.5687856  595161404531538 1    531439 1      C-13-H3C(O)CH3
  322431.3818  0.0019 -3.8218 3  134.9809376 -595161404231212 2    221111 2      C-13-H3C(O)CH3
  322456.9980  0.0151 -5.9536 3  469.5226680  595161404422221 1    412318 1      C-13-H3C(O)CH3
  322458.0961  0.0133 -5.9531 3  469.5447680  595161404422221 0    412318 0      C-13-H3C(O)CH3
  322473.6166  0.1617 -6.2926 3 1548.8789B60  595161404725716 1    725617 1      C-13-H3C(O)CH3
  322483.5058  0.0114 -5.5074 3  648.5439428  595161404531638 3    531439 3      C-13-H3C(O)CH3
  322483.5058  0.0114 -5.0383 3  648.5439428  595161404531638 3    531539 3      C-13-H3C(O)CH3
  322483.5058  0.0114 -5.0383 3  648.5439428  595161404531538 3    531439 3      C-13-H3C(O)CH3
  322483.5058  0.0114 -5.5074 3  648.5439428  595161404531538 3    531539 3      C-13-H3C(O)CH3
  322483.5488  0.0114 -4.9208 3  648.5439428  595161404531538 4    531539 4      C-13-H3C(O)CH3
  322483.5488  0.0114 -6.5781 3  648.5439428  595161404531538 4    531439 4      C-13-H3C(O)CH3
  322483.5488  0.0114 -6.5781 3  648.5439428  595161404531638 4    531539 4      C-13-H3C(O)CH3
  322483.5488  0.0114 -4.9208 3  648.5439428  595161404531638 4    531439 4      C-13-H3C(O)CH3
  322489.0301  0.1391 -5.9234 3 1031.1456904  5951614045654 3 2    5653 4 2      C-13-H3C(O)CH3
  322505.4053  0.0202 -6.8416 3  198.9879424  5951614042621 6 2    2618 8 2      C-13-H3C(O)CH3
  322514.9044  0.1247 -5.9234 3 1031.1714904  5951614045654 2 1    5653 3 1      C-13-H3C(O)CH3
  322518.1964  0.1468 -6.2926 3 1548.9190B60  595161404725715 0    725616 0      C-13-H3C(O)CH3
  322518.1964  0.1468 -6.2926 3 1548.9190B60  595161404725716 0    725617 0      C-13-H3C(O)CH3
  322518.5827  0.1492 -5.7115 3  754.4125840  595161404523319 2    523022 2      C-13-H3C(O)CH3
  322534.3900  0.0018 -3.8219 3  134.9748376 -595161404231212 0    221111 0      C-13-H3C(O)CH3
  322552.0846  0.1402 -6.2245 3 1031.1845452  5951614045654 3 3    5653 4 3      C-13-H3C(O)CH3
  322555.1933  0.0054 -6.6012 3  212.1021456  595161404281712 1    271810 1      C-13-H3C(O)CH3
  322571.6477  0.1134 -5.9234 3 1031.1569904  5951614045654 2 2    5653 3 2      C-13-H3C(O)CH3
  322600.1221  0.0081 -6.5559 3  212.0847228  595161404281712 4    271810 4      C-13-H3C(O)CH3
  322634.6416  0.1289 -6.2245 3 1031.1959452  5951614045654 2 4    5653 3 4      C-13-H3C(O)CH3
  322638.6867  0.0212 -6.2524 3  469.4908340  595161404422221 4    412318 4      C-13-H3C(O)CH3
  322639.7880  0.0117 -4.9555 3  232.3304472  595161404291911 2    2820 8 2      C-13-H3C(O)CH3
  322643.9204  0.0200 -5.9508 3  469.5129680  595161404422221 2    412318 2      C-13-H3C(O)CH3
  322643.9967  0.0217 -6.2524 3  469.4907340  595161404422221 3    412318 3      C-13-H3C(O)CH3
  322650.5712  0.0112 -5.0349 3  232.3292472  595161404291911 1    2820 8 1      C-13-H3C(O)CH3
  322724.4982  0.1727 -6.2241 3 1031.1912452  5951614045654 3 4    5653 4 4      C-13-H3C(O)CH3
  322770.7737  0.0578 -6.5207 3  462.0182332  595161404412417 3    402714 3      C-13-H3C(O)CH3
  322787.0274  0.0062 -4.7953 3  232.3434472  595161404291911 0    2820 8 0      C-13-H3C(O)CH3
  322806.3609  0.0082 -6.6085 3  168.4302408  595161404251510 2    2416 8 2      C-13-H3C(O)CH3
  322807.4963  0.1370 -6.2242 3 1031.2026452  5951614045654 2 3    5653 3 3      C-13-H3C(O)CH3
  322829.2674  0.0018 -3.9053 3  155.3711212 -59516140426 918 3    25 817 3      C-13-H3C(O)CH3
  322829.2674  0.0018 -3.9053 3  155.3712212 -59516140426 818 4    25 917 4      C-13-H3C(O)CH3
  322829.2674  0.0018 -3.9053 3  155.3711212 -59516140426 818 3    25 917 3      C-13-H3C(O)CH3
  322829.2674  0.0018 -3.9053 3  155.3712212 -59516140426 918 4    25 817 4      C-13-H3C(O)CH3
  322847.1765  0.0161 -5.4253 3  342.8924552  5951614043427 8 0    3328 5 0      C-13-H3C(O)CH3
  322847.2394  0.0161 -5.4253 3  342.8924552  5951614043427 7 0    3328 6 0      C-13-H3C(O)CH3
  322873.9355  0.1130 -5.8760 3 1209.1117A00  5951614046255 7 2    6254 8 2      C-13-H3C(O)CH3
  322880.3674  0.0069 -6.6783 3  132.0146360  5951614042215 7 1    221012 1      C-13-H3C(O)CH3
  322888.3522  0.0068 -6.6693 3  132.0115360  5951614042215 7 2    221012 2      C-13-H3C(O)CH3
  322897.9310  0.0021 -3.6042 3  155.3653424 -59516140426 918 1    25 817 1      C-13-H3C(O)CH3
  322897.9310  0.0021 -3.6042 3  155.3653424 -59516140426 818 1    25 917 1      C-13-H3C(O)CH3
  322900.1353  0.0021 -3.6043 3  155.3638424 -59516140426 818 2    25 917 2      C-13-H3C(O)CH3
  322900.1353  0.0021 -3.6043 3  155.3638424 -59516140426 918 2    25 817 2      C-13-H3C(O)CH3
  322927.8411  0.1626 -6.6018 3 1646.5341636  595161404793841 4    793742 4      C-13-H3C(O)CH3
  322927.8447  0.1626 -6.6018 3 1646.5341636  595161404793941 4    793842 4      C-13-H3C(O)CH3
  322927.9090  0.1626 -6.6018 3 1646.5340636  595161404793841 3    793742 3      C-13-H3C(O)CH3
  322927.9126  0.1626 -6.6018 3 1646.5340636  595161404793941 3    793842 3      C-13-H3C(O)CH3
  322932.4432  0.1220 -6.1771 3 1209.1342500  5951614046255 7 4    6254 8 4      C-13-H3C(O)CH3
  322933.2632  0.1155 -5.8759 3 1209.0985A00  5951614046255 7 0    6254 8 0      C-13-H3C(O)CH3
  322933.2632  0.1155 -5.8759 3 1209.0985A00  5951614046255 8 0    6254 9 0      C-13-H3C(O)CH3
  322947.1032  0.1070 -6.1771 3 1209.1128500  5951614046255 8 3    6254 8 3      C-13-H3C(O)CH3
  322956.1518  0.0077 -4.5724 3  616.7271840  595161404521538 0    521439 0      C-13-H3C(O)CH3
  322956.1518  0.0077 -4.5724 3  616.7271840  595161404521438 0    521339 0      C-13-H3C(O)CH3
  322961.0664  0.1806 -6.3007 3 1646.5239C72  595161404793841 1    793742 1      C-13-H3C(O)CH3
  322961.0703  0.1806 -6.3007 3 1646.5239C72  595161404793941 1    793842 1      C-13-H3C(O)CH3
  322962.0047  0.1705 -6.3009 3 1646.5270C72  595161404793841 2    793742 2      C-13-H3C(O)CH3
  322962.0075  0.1705 -6.3009 3 1646.5270C72  595161404793941 2    793842 2      C-13-H3C(O)CH3
  322968.6325  0.0018 -3.6042 3  155.3579424 -59516140426 818 0    25 917 0      C-13-H3C(O)CH3
  322968.6325  0.0018 -3.6042 3  155.3579424 -59516140426 918 0    25 817 0      C-13-H3C(O)CH3
  322971.7122  0.0205 -6.5727 3  198.9855212  5951614042621 5 4    2618 8 4      C-13-H3C(O)CH3
  322976.5948  0.0144 -5.2269 3  232.3008236  595161404291911 3    2820 8 3      C-13-H3C(O)CH3
  322986.4069  0.0120 -6.1585 3  168.4333204  595161404251510 4    2416 8 4      C-13-H3C(O)CH3
  322992.2415  0.1055 -5.8759 3 1209.1210A00  5951614046255 7 1    6254 8 1      C-13-H3C(O)CH3
  322995.1096  0.1825 -6.3006 3 1646.5169C72  595161404793841 0    793742 0      C-13-H3C(O)CH3
  322995.1127  0.1825 -6.3006 3 1646.5169C72  595161404793941 0    793842 0      C-13-H3C(O)CH3
  322999.0609  0.0161 -5.4256 3  342.8505552  5951614043427 7 1    3328 5 1      C-13-H3C(O)CH3
  323005.9433  0.0984 -5.8759 3 1209.0996A00  5951614046255 8 1    6254 9 1      C-13-H3C(O)CH3
  323010.5387  0.0098 -5.6915 3  616.6998840  595161404521538 2    521439 2      C-13-H3C(O)CH3
  323010.5387  0.0098 -4.6048 3  616.6998840  595161404521438 2    521439 2      C-13-H3C(O)CH3
  323010.5387  0.0098 -5.6915 3  616.6998840  595161404521438 2    521339 2      C-13-H3C(O)CH3
  323010.5387  0.0098 -4.6048 3  616.6998840  595161404521538 2    521339 2      C-13-H3C(O)CH3
  323011.0021  0.0099 -5.5302 3  616.7003840  595161404521538 1    521439 1      C-13-H3C(O)CH3
  323011.0021  0.0099 -5.5302 3  616.7003840  595161404521438 1    521339 1      C-13-H3C(O)CH3
  323011.0021  0.0099 -4.6211 3  616.7003840  595161404521438 1    521439 1      C-13-H3C(O)CH3
  323011.0021  0.0099 -4.6211 3  616.7003840  595161404521538 1    521339 1      C-13-H3C(O)CH3
  323011.5723  0.0065 -6.6523 3  132.0038360  5951614042215 7 0    221012 0      C-13-H3C(O)CH3
  323032.5367  0.1042 -5.8758 3 1209.0868A00  5951614046255 8 2    6254 9 2      C-13-H3C(O)CH3
  323060.7858  0.0248 -5.1929 3 1026.5162A32  595161404642539 0    642540 0      C-13-H3C(O)CH3
  323060.7858  0.0248 -5.1929 3 1026.5162A32  595161404642639 0    642440 0      C-13-H3C(O)CH3
  323065.4650  0.0107 -4.8714 3  616.6729420  595161404521538 4    521339 4      C-13-H3C(O)CH3
  323065.4650  0.0107 -4.8714 3  616.6729420  595161404521438 4    521439 4      C-13-H3C(O)CH3
  323065.4677  0.0108 -5.2126 3  616.6729420  595161404521538 3    521439 3      C-13-H3C(O)CH3
  323065.4677  0.0108 -5.1356 3  616.6729420  595161404521438 3    521439 3      C-13-H3C(O)CH3
  323065.4677  0.0108 -5.2126 3  616.6729420  595161404521438 3    521339 3      C-13-H3C(O)CH3
  323065.4677  0.0108 -5.1356 3  616.6729420  595161404521538 3    521339 3      C-13-H3C(O)CH3
  323082.0628  0.0974 -6.8112 3  559.3288728  595161404452718 2    443015 2      C-13-H3C(O)CH3
  323091.6860  0.1102 -6.1768 3 1209.1092500  5951614046255 7 3    6254 9 3      C-13-H3C(O)CH3
  323093.5547  0.0273 -5.2042 3 1026.5278A32  595161404642539 1    642440 1      C-13-H3C(O)CH3
  323093.5547  0.0273 -6.6036 3 1026.5278A32  595161404642539 1    642540 1      C-13-H3C(O)CH3
  323093.5547  0.0273 -5.5842 3 1026.5278A32  595161404642639 1    642540 1      C-13-H3C(O)CH3
  323093.5547  0.0273 -5.4097 3 1026.5278A32  595161404642639 1    642440 1      C-13-H3C(O)CH3
  323097.7632  0.0327 -5.1927 3 1026.5286A32  595161404642539 2    642540 2      C-13-H3C(O)CH3
  323097.7632  0.0327 -5.1947 3 1026.5286A32  595161404642639 2    642540 2      C-13-H3C(O)CH3
  323105.5626  0.1195 -6.1768 3 1209.0879500  5951614046255 8 4    6254 9 4      C-13-H3C(O)CH3
  323106.7976  0.0087 -6.2712 3  168.4340408  595161404251510 1    2416 8 1      C-13-H3C(O)CH3
  323116.2564  0.0155 -5.4238 3  342.8574552  5951614043427 8 2    3328 6 2      C-13-H3C(O)CH3
  323123.3448  0.1195 -6.0109 3  754.3959420  595161404523319 3    523022 3      C-13-H3C(O)CH3
  323130.6061  0.0312 -5.7900 3 1026.5402516  595161404642639 3    642440 3      C-13-H3C(O)CH3
  323130.6061  0.0312 -5.7883 3 1026.5402516  595161404642639 3    642540 3      C-13-H3C(O)CH3
  323130.6061  0.0312 -5.7883 3 1026.5402516  595161404642539 3    642440 3      C-13-H3C(O)CH3
  323130.6061  0.0312 -5.7900 3 1026.5402516  595161404642539 3    642540 3      C-13-H3C(O)CH3
  323130.7167  0.0313 -5.9434 3 1026.5403516  595161404642539 4    642440 4      C-13-H3C(O)CH3
  323130.7167  0.0313 -5.6755 3 1026.5403516  595161404642539 4    642540 4      C-13-H3C(O)CH3
  323130.7167  0.0313 -5.6755 3 1026.5403516  595161404642639 4    642440 4      C-13-H3C(O)CH3
  323130.7167  0.0313 -5.9434 3 1026.5403516  595161404642639 4    642540 4      C-13-H3C(O)CH3
  323140.4935  0.1379 -6.3463 3 1372.8020540  595161404675611 4    675512 4      C-13-H3C(O)CH3
  323156.7617  0.1237 -6.0407 3 1004.9572888  5951614045554 1 0    5553 2 0      C-13-H3C(O)CH3
  323156.7617  0.1237 -6.0407 3 1004.9572888  5951614045554 2 0    5553 3 0      C-13-H3C(O)CH3
  323179.2366  0.0163 -5.4244 3  342.8385552  5951614043427 8 1    3328 6 1      C-13-H3C(O)CH3
  323179.8537  0.0144 -6.3079 3  198.9891424  5951614042621 5 1    2618 8 1      C-13-H3C(O)CH3
  323183.9880  0.0508 -6.2808 3  462.0271664  595161404412417 2    402714 2      C-13-H3C(O)CH3
  323196.4421  0.0203 -6.4644 3  272.5584504  595161404312210 1    3023 7 1      C-13-H3C(O)CH3
  323202.0537  0.1222 -6.0408 3 1005.0030888  5951614045554 2 1    5553 3 1      C-13-H3C(O)CH3
  323207.7538  0.0172 -6.5648 3  198.9028212  5951614042621 6 4    2618 9 4      C-13-H3C(O)CH3
  323214.0815  0.0162 -5.4245 3  342.8580552  5951614043427 7 2    3328 5 2      C-13-H3C(O)CH3
  323225.4243  0.1355 -6.0451 3 1372.7915A80  595161404675611 2    675512 2      C-13-H3C(O)CH3
  323249.3533  0.0536 -6.6300 3  462.0025332  595161404412417 4    402714 4      C-13-H3C(O)CH3
  323256.4486  0.1363 -6.3461 3 1372.7674540  595161404675611 3    675512 3      C-13-H3C(O)CH3
  323264.8945  0.0173 -5.7252 3  342.8155276  5951614043427 7 3    3328 5 3      C-13-H3C(O)CH3
  323271.7576  0.0031 -5.4020 3   84.9146148  5951614041812 7 4    1711 7 4      C-13-H3C(O)CH3
  323278.6578  0.0113 -5.3040 3  232.3091472  595161404291911 2    2820 9 2      C-13-H3C(O)CH3
  323282.3867  0.1327 -6.3460 3 1372.7590540  595161404675612 3    675513 3      C-13-H3C(O)CH3
  323316.3853  0.1240 -6.0449 3 1372.7892A80  595161404675611 1    675512 1      C-13-H3C(O)CH3
  323324.9383  0.0214 -5.5929 3  272.5691504  595161404312210 2    3023 7 2      C-13-H3C(O)CH3
  323326.8426  0.1481 -6.0198 3  754.3961420  595161404523319 4    523022 4      C-13-H3C(O)CH3
  323363.0915  0.0186 -5.7258 3  342.8161276  5951614043427 7 4    3328 5 4      C-13-H3C(O)CH3
  323367.0181  0.1261 -6.0448 3 1372.7485A80  595161404675612 2    675513 2      C-13-H3C(O)CH3
  323390.0485  0.0101 -4.9975 3  272.5880504  595161404312210 0    3023 7 0      C-13-H3C(O)CH3
  323397.8417  0.1535 -6.3458 3 1372.7244540  595161404675612 4    675513 4      C-13-H3C(O)CH3
  323400.6400  0.1310 -6.0447 3 1372.7787A80  595161404675611 0    675512 0      C-13-H3C(O)CH3
  323400.6400  0.1310 -6.0447 3 1372.7787A80  595161404675612 0    675513 0      C-13-H3C(O)CH3
  323419.4757  0.1401 -6.0404 3 1005.0090888  5951614045554 1 1    5553 2 1      C-13-H3C(O)CH3
  323431.6687  0.1197 -6.0447 3 1372.7546A80  595161404675612 1    675513 1      C-13-H3C(O)CH3
  323435.1821  0.1573 -6.0402 3 1004.9809888  5951614045554 2 2    5553 3 2      C-13-H3C(O)CH3
  323445.8704  0.0189 -5.7240 3  342.8033276  5951614043427 8 4    3328 6 4      C-13-H3C(O)CH3
  323477.9112  0.0130 -5.6771 3  232.2841236  595161404291911 3    2820 9 3      C-13-H3C(O)CH3
  323480.4753  0.1265 -6.0404 3 1004.9995888  5951614045554 1 2    5553 2 2      C-13-H3C(O)CH3
  323481.8317  0.1558 -6.3414 3 1005.0268444  5951614045554 2 3    5553 3 3      C-13-H3C(O)CH3
  323527.1234  0.1394 -6.3415 3 1005.0454444  5951614045554 1 4    5553 2 4      C-13-H3C(O)CH3
  323529.8337  0.0767 -6.0406 3 1342.0993580  595161404723240 4    723141 4      C-13-H3C(O)CH3
  323529.8337  0.0767 -6.0406 3 1342.0993580  595161404723340 4    723241 4      C-13-H3C(O)CH3
  323529.8405  0.0767 -6.0406 3 1342.0992580  595161404723340 3    723241 3      C-13-H3C(O)CH3
  323529.8405  0.0767 -6.0406 3 1342.0992580  595161404723240 3    723141 3      C-13-H3C(O)CH3
  323532.1423  0.0070 -5.4443 3  585.4439824 -595161404511338 0    511239 0      C-13-H3C(O)CH3
  323532.1423  0.0070 -5.1800 3  585.4439824 -595161404511438 0    511339 0      C-13-H3C(O)CH3
  323532.1880  0.0070 -4.6455 3  585.4439824  595161404511438 0    511239 0      C-13-H3C(O)CH3
  323532.1880  0.0070 -4.5912 3  585.4439824  595161404511338 0    511339 0      C-13-H3C(O)CH3
  323542.6327  0.0168 -5.7246 3  342.8041276  5951614043427 8 3    3328 6 3      C-13-H3C(O)CH3
  323543.3590  0.0023 -5.5818 3   84.8945296  5951614041812 7 1    1711 7 1      C-13-H3C(O)CH3
  323546.6079  0.3351 -6.7445 3 1822.9852C72  595161404795920 1    795821 1      C-13-H3C(O)CH3
  323547.3251  0.0765 -5.7396 3 1342.0792B60  595161404723240 1    723141 1      C-13-H3C(O)CH3
  323547.3252  0.0765 -5.7396 3 1342.0792B60  595161404723340 1    723241 1      C-13-H3C(O)CH3
  323551.3431  0.0772 -5.7401 3 1342.0816B60  595161404723240 2    723141 2      C-13-H3C(O)CH3
  323551.3432  0.0772 -5.7401 3 1342.0816B60  595161404723340 2    723241 2      C-13-H3C(O)CH3
  323559.0302  0.0176 -4.7599 3   87.0916148  5951614041813 6 4    1712 5 4      C-13-H3C(O)CH3
  323566.0606  0.0117 -5.1232 3  272.5691504  5951614043122 9 2    3023 7 2      C-13-H3C(O)CH3
  323568.8408  0.0771 -5.7394 3 1342.0617B60  595161404723340 0    723241 0      C-13-H3C(O)CH3
  323568.8408  0.0771 -5.7394 3 1342.0617B60  595161404723240 0    723141 0      C-13-H3C(O)CH3
  323572.1391  0.0092 -4.7876 3  585.4147824  595161404511338 2    511239 2      C-13-H3C(O)CH3
  323572.1391  0.0092 -4.7876 3  585.4147824  595161404511438 2    511339 2      C-13-H3C(O)CH3
  323572.4350  0.0094 -5.2120 3  585.4152824 -595161404511338 1    511339 1      C-13-H3C(O)CH3
  323572.4350  0.0092 -4.8883 3  585.4147824 -595161404511338 2    511339 2      C-13-H3C(O)CH3
  323572.4350  0.0092 -4.8883 3  585.4147824 -595161404511438 2    511239 2      C-13-H3C(O)CH3
  323572.4350  0.0094 -5.2120 3  585.4152824 -595161404511438 1    511239 1      C-13-H3C(O)CH3
  323572.8781  0.0094 -4.6363 3  585.4152824  595161404511438 1    511339 1      C-13-H3C(O)CH3
  323572.8781  0.0094 -4.6363 3  585.4152824  595161404511338 1    511239 1      C-13-H3C(O)CH3
  323579.1623  0.0146 -6.3564 3  198.9879424  5951614042621 5 2    2618 8 2      C-13-H3C(O)CH3
  323584.8004  0.0023 -5.7524 3   84.8937296  5951614041812 7 2    1711 7 2      C-13-H3C(O)CH3
  323590.1885  0.0147 -6.2320 3  198.9980424  5951614042621 5 0    2618 8 0      C-13-H3C(O)CH3
  323601.8093  0.0101 -4.9969 3  272.5878504  5951614043122 9 0    3023 8 0      C-13-H3C(O)CH3
  323604.4405  0.0315 -6.5544 3  272.5258252  595161404312210 3    3023 7 3      C-13-H3C(O)CH3
  323612.8348  0.0101 -4.8357 3  585.3859412  595161404511438 4    511339 4      C-13-H3C(O)CH3
  323612.8348  0.0101 -4.8357 3  585.3859412  595161404511338 4    511239 4      C-13-H3C(O)CH3
  323612.8907  0.0101 -4.8516 3  585.3860412  595161404511438 3    511239 3      C-13-H3C(O)CH3
  323612.8907  0.0101 -6.2550 3  585.3860412  595161404511338 3    511239 3      C-13-H3C(O)CH3
  323612.8907  0.0101 -4.8516 3  585.3860412  595161404511338 3    511339 3      C-13-H3C(O)CH3
  323612.8907  0.0101 -6.2550 3  585.3860412  595161404511438 3    511339 3      C-13-H3C(O)CH3
  323617.2957  0.0512 -6.7746 3  559.3250728  595161404452718 1    443015 1      C-13-H3C(O)CH3
  323675.3539  0.3590 -6.7443 3 1822.9835C72  595161404795920 2    795821 2      C-13-H3C(O)CH3
  323688.3431  0.0097 -5.1661 3  232.2946472  595161404291911 1    2820 9 1      C-13-H3C(O)CH3
  323694.3563  0.2922 -6.7441 3 1822.9387C72  595161404795921 1    795822 1      C-13-H3C(O)CH3
  323697.6814  0.0062 -6.4423 3  149.2004196  595161404241212 3    24 915 3      C-13-H3C(O)CH3
  323700.3556  0.1934 -6.3410 3 1005.0326444  5951614045554 2 4    5553 3 4      C-13-H3C(O)CH3
  323700.7206  0.0082 -6.4423 3  149.2004196  595161404241212 4    24 915 4      C-13-H3C(O)CH3
  323709.1001  0.0307 -6.2202 3  462.0250664  595161404412417 1    402714 1      C-13-H3C(O)CH3
  323717.8220  0.2578 -6.7441 3 1822.9488C72  595161404795921 2    795822 2      C-13-H3C(O)CH3
  323728.3308  0.0122 -5.1232 3  272.5556504  595161404312210 2    3023 8 2      C-13-H3C(O)CH3
  323745.7445  0.1509 -6.3411 3 1005.0514444  5951614045554 1 3    5553 2 3      C-13-H3C(O)CH3
  323763.1891  0.0179 -6.7089 3  198.9200212  5951614042621 6 3    2618 9 3      C-13-H3C(O)CH3
  323786.0743  0.0018 -3.8580 3  160.9697220 -59516140427 720 3    26 819 3      C-13-H3C(O)CH3
  323786.0743  0.0018 -3.8580 3  160.9697220 -59516140427 820 3    26 719 3      C-13-H3C(O)CH3
  323786.0743  0.0019 -3.8580 3  160.9697220 -59516140427 720 4    26 819 4      C-13-H3C(O)CH3
  323786.0743  0.0019 -3.8580 3  160.9697220 -59516140427 820 4    26 719 4      C-13-H3C(O)CH3
  323786.8358  0.0072 -6.8465 3  118.8632344  5951614042114 7 2    21 912 2      C-13-H3C(O)CH3
  323789.3850  0.0100 -5.0111 3  272.5584504  5951614043122 9 1    3023 7 1      C-13-H3C(O)CH3
  323790.0399  0.0100 -5.0119 3  272.5386504  595161404312210 1    3023 8 1      C-13-H3C(O)CH3
  323794.7118  0.0113 -5.3218 3  272.5195252  595161404312210 3    3023 8 3      C-13-H3C(O)CH3
  323798.1575  0.0134 -5.3064 3  272.5393252  5951614043122 9 4    3023 7 4      C-13-H3C(O)CH3
  323808.9281  0.0060 -6.1387 3  149.1937392  595161404241212 2    24 915 2      C-13-H3C(O)CH3
  323816.1908  0.0316 -6.1729 3  462.0440664  595161404412417 0    402714 0      C-13-H3C(O)CH3
  323829.4109  0.2964 -6.7440 3 1822.9849C72  595161404795920 0    795821 0      C-13-H3C(O)CH3
  323829.4110  0.2964 -6.7440 3 1822.9849C72  595161404795921 0    795822 0      C-13-H3C(O)CH3
  323842.3190  0.0070 -6.8508 3  118.8656344  5951614042114 7 1    21 912 1      C-13-H3C(O)CH3
  323849.1252  0.0022 -3.5569 3  160.9617440 -59516140427 820 1    26 719 1      C-13-H3C(O)CH3
  323849.1252  0.0022 -3.5569 3  160.9617440 -59516140427 720 1    26 819 1      C-13-H3C(O)CH3
  323850.5512  0.0022 -3.5570 3  160.9605440 -59516140427 820 2    26 719 2      C-13-H3C(O)CH3
  323850.5512  0.0022 -3.5570 3  160.9605440 -59516140427 720 2    26 819 2      C-13-H3C(O)CH3
  323855.5830  0.0368 -6.8659 3  847.3705920  595161404572631 0    562928 0      C-13-H3C(O)CH3
  323859.9094  0.0368 -6.8659 3  847.3703920  595161404572731 0    562828 0      C-13-H3C(O)CH3
  323864.0294  0.0544 -6.5791 3  559.3396728  595161404452718 0    443015 0      C-13-H3C(O)CH3
  323866.2400  0.0137 -6.3033 3  198.9272424  5951614042621 6 1    2618 9 1      C-13-H3C(O)CH3
  323875.1918  0.0403 -6.8649 3  847.3739920  595161404572631 1    562928 1      C-13-H3C(O)CH3
  323879.3325  0.0449 -6.8642 3  847.3741920  595161404572631 2    562928 2      C-13-H3C(O)CH3
  323879.9425  0.0403 -6.8649 3  847.3737920  595161404572731 1    562828 1      C-13-H3C(O)CH3
  323884.0303  0.0450 -6.8642 3  847.3739920  595161404572731 2    562828 2      C-13-H3C(O)CH3
  323895.8338  0.0060 -6.1391 3  149.1957392  595161404241212 1    24 915 1      C-13-H3C(O)CH3
  323913.4205  0.0019 -3.5568 3  160.9525440 -59516140427 820 0    26 719 0      C-13-H3C(O)CH3
  323913.4205  0.0019 -3.5568 3  160.9525440 -59516140427 720 0    26 819 0      C-13-H3C(O)CH3
  323941.1253  0.0067 -6.8376 3  118.8501344  5951614042114 7 0    21 912 0      C-13-H3C(O)CH3
  323969.4531  0.0221 -5.5914 3  272.5556504  5951614043122 9 2    3023 8 2      C-13-H3C(O)CH3
  323979.2427  0.1394 -6.2836 3  979.2811872  5951614045454 0 0    5453 2 0      C-13-H3C(O)CH3
  323979.2427  0.1394 -6.2836 3  979.2811872  5951614045454 1 0    5453 1 0      C-13-H3C(O)CH3
  324002.9741  0.0157 -5.4035 3  232.2655236  595161404291911 4    2820 9 4      C-13-H3C(O)CH3
  324003.6780  0.1360 -6.2838 3  979.3337872  5951614045454 1 1    5453 2 1      C-13-H3C(O)CH3
  324005.8260  0.0058 -6.1362 3  149.1890392  595161404241212 0    24 915 0      C-13-H3C(O)CH3
  324028.0540  0.2010 -6.5455 3 1514.8365572  595161404715714 4    715615 4      C-13-H3C(O)CH3
  324030.9850  0.0220 -5.1725 3  988.2763A16  595161404632439 0    632340 0      C-13-H3C(O)CH3
  324030.9850  0.0220 -6.0807 3  988.2763A16  595161404632539 0    632340 0      C-13-H3C(O)CH3
  324030.9850  0.0220 -5.1725 3  988.2763A16  595161404632539 0    632440 0      C-13-H3C(O)CH3
  324030.9850  0.0220 -6.0807 3  988.2763A16  595161404632439 0    632440 0      C-13-H3C(O)CH3
  324031.8323  0.0162 -5.6590 3  365.6598600  595161404372018 1    362115 1      C-13-H3C(O)CH3
  324068.0415  0.0148 -6.3514 3  198.9358424  5951614042621 6 2    2618 9 2      C-13-H3C(O)CH3
  324072.5520  0.0248 -5.6151 3  988.2853A16  595161404632439 1    632340 1      C-13-H3C(O)CH3
  324072.5520  0.0248 -5.2900 3  988.2853A16  595161404632539 1    632340 1      C-13-H3C(O)CH3
  324072.5520  0.0248 -5.2900 3  988.2853A16  595161404632439 1    632440 1      C-13-H3C(O)CH3
  324072.5520  0.0248 -5.6151 3  988.2853A16  595161404632539 1    632440 1      C-13-H3C(O)CH3
  324076.4615  0.0298 -5.1886 3  988.2859A16  595161404632439 2    632340 2      C-13-H3C(O)CH3
  324076.4615  0.0298 -5.9673 3  988.2859A16  595161404632539 2    632340 2      C-13-H3C(O)CH3
  324076.4615  0.0298 -5.9673 3  988.2859A16  595161404632439 2    632440 2      C-13-H3C(O)CH3
  324076.4615  0.0298 -5.1886 3  988.2859A16  595161404632539 2    632440 2      C-13-H3C(O)CH3
  324080.8034  0.0116 -5.3069 3  272.5061252  595161404312210 4    3023 8 4      C-13-H3C(O)CH3
  324083.6306  0.0066 -5.1544 3  554.7442808 -595161404501338 0    501239 0      C-13-H3C(O)CH3
  324083.6306  0.0066 -5.1544 3  554.7442808 -595161404501238 0    501139 0      C-13-H3C(O)CH3
  324083.7275  0.0066 -4.6104 3  554.7442808  595161404501338 0    501139 0      C-13-H3C(O)CH3
  324083.7275  0.0066 -4.6104 3  554.7442808  595161404501238 0    501239 0      C-13-H3C(O)CH3
  324086.8974  0.0110 -5.3206 3  272.5258252  5951614043122 9 3    3023 7 3      C-13-H3C(O)CH3
  324104.8434  0.0088 -4.5820 3  554.7140808  595161404501338 2    501139 2      C-13-H3C(O)CH3
  324104.8434  0.0088 -4.5030 3  554.7140808  595161404501338 2    501239 2      C-13-H3C(O)CH3
  324104.8434  0.0088 -5.2706 3  554.7140808  595161404501238 2    501139 2      C-13-H3C(O)CH3
  324104.8434  0.0088 -6.8612 3  554.7140808  595161404501238 2    501239 2      C-13-H3C(O)CH3
  324105.7997  0.0091 -5.3607 3  554.7145808  595161404501338 1    501239 1      C-13-H3C(O)CH3
  324105.7997  0.0091 -4.5049 3  554.7145808  595161404501338 1    501139 1      C-13-H3C(O)CH3
  324105.7997  0.0091 -6.5661 3  554.7145808  595161404501238 1    501139 1      C-13-H3C(O)CH3
  324105.7997  0.0091 -4.5657 3  554.7145808  595161404501238 1    501239 1      C-13-H3C(O)CH3
  324107.7356  0.1171 -5.8685 3 1179.9966984  5951614046155 6 2    6154 7 2      C-13-H3C(O)CH3
  324118.1092  0.0277 -6.1289 3  988.2950508  595161404632539 3    632440 3      C-13-H3C(O)CH3
  324118.1092  0.0277 -5.5178 3  988.2950508  595161404632539 3    632340 3      C-13-H3C(O)CH3
  324118.1092  0.0277 -5.5178 3  988.2950508  595161404632439 3    632440 3      C-13-H3C(O)CH3
  324118.1092  0.0277 -6.1289 3  988.2950508  595161404632439 3    632340 3      C-13-H3C(O)CH3
  324118.2343  0.0278 -5.5941 3  988.2950508  595161404632439 4    632340 4      C-13-H3C(O)CH3
  324118.2343  0.0278 -5.9093 3  988.2950508  595161404632539 4    632340 4      C-13-H3C(O)CH3
  324118.2343  0.0278 -5.5941 3  988.2950508  595161404632539 4    632440 4      C-13-H3C(O)CH3
  324118.2343  0.0278 -5.9093 3  988.2950508  595161404632439 4    632440 4      C-13-H3C(O)CH3
  324120.5308  0.1158 -5.8685 3 1179.9833984  5951614046155 7 0    6154 8 0      C-13-H3C(O)CH3
  324120.5308  0.1158 -5.8685 3 1179.9833984  5951614046155 6 0    6154 7 0      C-13-H3C(O)CH3
  324126.8380  0.0095 -4.8268 3  554.6842404  595161404501238 4    501139 4      C-13-H3C(O)CH3
  324126.8380  0.0095 -6.0582 3  554.6842404  595161404501238 4    501239 4      C-13-H3C(O)CH3
  324126.8380  0.0095 -4.8268 3  554.6842404  595161404501338 4    501239 4      C-13-H3C(O)CH3
  324126.8380  0.0095 -6.0582 3  554.6842404  595161404501338 4    501139 4      C-13-H3C(O)CH3
  324126.9533  0.0095 -6.9216 3  554.6843404  595161404501338 3    501239 3      C-13-H3C(O)CH3
  324126.9533  0.0095 -4.8053 3  554.6843404  595161404501338 3    501139 3      C-13-H3C(O)CH3
  324126.9533  0.0095 -4.9294 3  554.6843404  595161404501238 3    501239 3      C-13-H3C(O)CH3
  324126.9533  0.0095 -5.3967 3  554.6843404  595161404501238 3    501139 3      C-13-H3C(O)CH3
  324135.5654  0.1698 -6.5453 3 1514.7893572  595161404715715 3    715616 3      C-13-H3C(O)CH3
  324155.2299  0.3005 -6.7804 3 1664.8852604  595161404755817 4    755718 4      C-13-H3C(O)CH3
  324181.7927  0.0082 -5.7163 3  262.2144504  595161404311913 0    311616 0      C-13-H3C(O)CH3
  324183.7625  0.1118 -6.1695 3 1180.0041492  5951614046155 7 3    6154 7 3      C-13-H3C(O)CH3
  324186.6105  0.1956 -6.5452 3 1514.7942572  595161404715714 3    715615 3      C-13-H3C(O)CH3
  324194.8297  0.0083 -5.7173 3  262.1923504  595161404311913 2    311616 2      C-13-H3C(O)CH3
  324194.8911  0.0132 -5.6571 3  365.6781600  595161404372018 0    362115 0      C-13-H3C(O)CH3
  324195.8748  0.1002 -5.8685 3 1179.9908984  5951614046155 7 1    6154 8 1      C-13-H3C(O)CH3
  324203.4217  0.1307 -6.1695 3 1180.0227492  5951614046155 6 4    6154 7 4      C-13-H3C(O)CH3
  324203.6157  0.0082 -5.7175 3  262.1966504  595161404311913 1    311616 1      C-13-H3C(O)CH3
  324204.2409  0.1838 -6.2442 3 1514.8322B44  595161404715714 2    715615 2      C-13-H3C(O)CH3
  324211.0482  0.0194 -5.9573 3  365.6252300  595161404372018 4    362115 4      C-13-H3C(O)CH3
  324213.4247  0.0085 -6.0193 3  262.1745252  595161404311913 4    311616 4      C-13-H3C(O)CH3
  324216.4188  0.1085 -5.8684 3 1180.0095984  5951614046155 6 1    6154 7 1      C-13-H3C(O)CH3
  324216.4789  0.0080 -6.0194 3  262.1745252  595161404311913 3    311616 3      C-13-H3C(O)CH3
  324218.0106  0.0204 -5.9573 3  365.6250300  595161404372018 3    362115 3      C-13-H3C(O)CH3
  324224.9048  0.2283 -6.7802 3 1664.8412604  595161404755818 3    755718 3      C-13-H3C(O)CH3
  324232.0028  0.1609 -6.2441 3 1514.8259B44  595161404715714 1    715615 1      C-13-H3C(O)CH3
  324260.0314  0.1043 -5.8683 3 1179.9777984  5951614046155 7 2    6154 8 2      C-13-H3C(O)CH3
  324267.8245  0.1586 -6.2833 3  979.3394872  5951614045454 0 1    5453 1 1      C-13-H3C(O)CH3
  324277.1686  0.0310 -6.5525 3  272.5195252  5951614043122 9 3    3023 8 3      C-13-H3C(O)CH3
  324293.8334  0.1894 -6.5449 3 1514.7470572  595161404715715 4    715616 4      C-13-H3C(O)CH3
  324303.5262  0.2731 -6.7341 3 1877.6205D52  595161404844242 2    844143 2      C-13-H3C(O)CH3
  324303.5710  0.2731 -6.7341 3 1877.6205D52  595161404844342 2    844243 2      C-13-H3C(O)CH3
  324304.2785  0.2872 -6.7339 3 1877.6180D52  595161404844242 1    844143 1      C-13-H3C(O)CH3
  324304.3373  0.2872 -6.7339 3 1877.6180D52  595161404844342 1    844243 1      C-13-H3C(O)CH3
  324304.6067  0.0049 -5.6804 3   30.0608108  59516140413 310 3    12 211 3      C-13-H3C(O)CH3
  324304.7586  0.0049 -5.6804 3   30.0608108  59516140413 410 3    12 111 3      C-13-H3C(O)CH3
  324304.8998  0.0061 -5.6804 3   30.0608108  59516140413 310 4    12 211 4      C-13-H3C(O)CH3
  324305.0494  0.0061 -5.6804 3   30.0608108  59516140413 410 4    12 111 4      C-13-H3C(O)CH3
  324311.6671  0.1478 -6.2439 3 1514.7850B44  595161404715715 2    715616 2      C-13-H3C(O)CH3
  324324.3128  0.2771 -6.7800 3 1664.8386604  595161404755817 3    755719 3      C-13-H3C(O)CH3
  324328.6714  0.2896 -6.7339 3 1877.6209D52  595161404844242 0    844143 0      C-13-H3C(O)CH3
  324328.7210  0.2896 -6.7339 3 1877.6209D52  595161404844342 0    844243 0      C-13-H3C(O)CH3
  324331.5838  0.1793 -6.2831 3  979.3098872  5951614045454 1 2    5453 2 2      C-13-H3C(O)CH3
  324331.6479  0.1413 -6.2833 3  979.3355872  5951614045454 0 2    5453 1 2      C-13-H3C(O)CH3
  324335.8796  0.1198 -6.1694 3 1179.9852492  5951614046155 7 4    6154 8 4      C-13-H3C(O)CH3
  324345.2598  0.0111 -6.1605 3  449.7142332  595161404412120 3    402417 3      C-13-H3C(O)CH3
  324347.2608  0.2249 -6.4790 3 1664.8791C08  595161404755817 1    755718 1      C-13-H3C(O)CH3
  324352.1518  0.0113 -6.1604 3  449.7140332  595161404412120 4    402417 4      C-13-H3C(O)CH3
  324356.3803  0.1135 -6.1693 3 1180.0038492  5951614046155 6 3    6154 8 3      C-13-H3C(O)CH3
  324357.3171  0.1735 -6.5843 3  979.3624436  5951614045454 1 3    5453 2 3      C-13-H3C(O)CH3
  324357.5226  0.1505 -6.5845 3  979.3882436  5951614045454 0 4    5453 1 4      C-13-H3C(O)CH3
  324382.2504  0.0175 -5.6543 3  365.6433600  595161404372018 2    362115 2      C-13-H3C(O)CH3
  324382.9828  0.0203 -6.4615 3  272.5386504  5951614043122 9 1    3023 8 1      C-13-H3C(O)CH3
  324390.2532  0.1532 -6.2438 3 1514.7836B44  595161404715715 1    715616 1      C-13-H3C(O)CH3
  324393.9309  0.2254 -6.7798 3 1664.7947604  595161404755818 4    755719 4      C-13-H3C(O)CH3
  324399.7918  0.2578 -6.4789 3 1664.8841C08  595161404755817 2    755718 2      C-13-H3C(O)CH3
  324407.7801  0.1456 -6.2438 3 1514.8216B44  595161404715715 0    715616 0      C-13-H3C(O)CH3
  324407.7801  0.1456 -6.2438 3 1514.8216B44  595161404715714 0    715615 0      C-13-H3C(O)CH3
  324412.7910  0.0121 -5.8603 3  449.7389664  595161404412120 1    402417 1      C-13-H3C(O)CH3
  324432.8750  0.0122 -5.8582 3  449.7340664  595161404412120 2    402417 2      C-13-H3C(O)CH3
  324469.4825  0.1835 -6.4787 3 1664.8402C08  595161404755818 2    755719 2      C-13-H3C(O)CH3
  324497.2437  0.0113 -5.8590 3  449.7587664  595161404412120 0    402417 0      C-13-H3C(O)CH3
  324516.3312  0.2065 -6.4786 3 1664.8325C08  595161404755818 1    755719 1      C-13-H3C(O)CH3
  324534.3825  0.0078 -6.4407 3  149.2004196  595161404241312 4    241015 4      C-13-H3C(O)CH3
  324534.8209  0.0060 -6.4406 3  149.2004196  595161404241312 3    241015 3      C-13-H3C(O)CH3
  324587.9269  0.0281 -6.5346 3  276.5562252  5951614043123 9 4    312011 4      C-13-H3C(O)CH3
  324591.6983  0.1865 -6.4785 3 1664.8781C08  595161404755818 0    755719 0      C-13-H3C(O)CH3
  324591.6983  0.1865 -6.4785 3 1664.8781C08  595161404755817 0    755718 0      C-13-H3C(O)CH3
  324608.5865  0.0090 -5.9204 3  524.5689396  595161404491238 4    491039 4      C-13-H3C(O)CH3
  324608.5865  0.0090 -4.8055 3  524.5689396  595161404491238 4    491139 4      C-13-H3C(O)CH3
  324608.5865  0.0090 -5.9204 3  524.5689396  595161404491138 4    491139 4      C-13-H3C(O)CH3
  324608.5865  0.0090 -4.8055 3  524.5689396  595161404491138 4    491039 4      C-13-H3C(O)CH3
  324608.7644  0.0090 -5.1874 3  524.5689396  595161404491238 3    491039 3      C-13-H3C(O)CH3
  324608.7644  0.0090 -5.1874 3  524.5689396  595161404491138 3    491139 3      C-13-H3C(O)CH3
  324608.7644  0.0090 -4.9848 3  524.5689396  595161404491138 3    491039 3      C-13-H3C(O)CH3
  324608.7644  0.0090 -4.9848 3  524.5689396  595161404491238 3    491139 3      C-13-H3C(O)CH3
  324610.1880  0.0087 -5.0922 3  524.5986792  595161404491238 2    491039 2      C-13-H3C(O)CH3
  324610.1880  0.0087 -4.5916 3  524.5986792  595161404491238 2    491139 2      C-13-H3C(O)CH3
  324610.1880  0.0087 -5.0922 3  524.5986792  595161404491138 2    491139 2      C-13-H3C(O)CH3
  324610.1880  0.0087 -4.5916 3  524.5986792  595161404491138 2    491039 2      C-13-H3C(O)CH3
  324611.3006  0.0089 -4.8832 3  524.5991792  595161404491138 1    491139 1      C-13-H3C(O)CH3
  324611.3006  0.0089 -4.6859 3  524.5991792  595161404491138 1    491039 1      C-13-H3C(O)CH3
  324611.3006  0.0089 -4.4922 3  524.5991792  595161404491238 1    491039 1      C-13-H3C(O)CH3
  324611.3006  0.0089 -5.8234 3  524.5991792  595161404491238 1    491139 1      C-13-H3C(O)CH3
  324612.6990  0.0066 -4.7038 3  524.6287792 -595161404491238 0    491139 0      C-13-H3C(O)CH3
  324612.6990  0.0066 -5.1009 3  524.6287792 -595161404491138 0    491039 0      C-13-H3C(O)CH3
  324612.7302  0.0066 -4.5889 3  524.6287792  595161404491238 0    491039 0      C-13-H3C(O)CH3
  324612.7302  0.0066 -4.8565 3  524.6287792  595161404491138 0    491139 0      C-13-H3C(O)CH3
  324623.2680  0.1659 -6.5840 3  979.3939436  5951614045454 0 3    5453 1 3      C-13-H3C(O)CH3
  324623.4727  0.2171 -6.5838 3  979.3680436  5951614045454 1 4    5453 2 4      C-13-H3C(O)CH3
  324641.7646  0.0062 -5.3778 3   29.9937216  59516140413 310 2    12 211 2      C-13-H3C(O)CH3
  324641.9233  0.0062 -5.3778 3   29.9937216  59516140413 410 2    12 111 2      C-13-H3C(O)CH3
  324647.2062  0.0061 -5.3781 3   29.9942216  59516140413 310 1    12 211 1      C-13-H3C(O)CH3
  324647.3597  0.0061 -5.3781 3   29.9942216  59516140413 410 1    12 111 1      C-13-H3C(O)CH3
  324669.0731  0.0059 -6.1370 3  149.1937392  595161404241312 2    241015 2      C-13-H3C(O)CH3
  324700.4508  0.1294 -6.3130 3 1341.2099532  595161404665610 4    665511 4      C-13-H3C(O)CH3
  324722.3655  0.1448 -6.5115 3 1599.7913628  595161404783741 4    783642 4      C-13-H3C(O)CH3
  324722.3667  0.1448 -6.5115 3 1599.7913628  595161404783841 4    783742 4      C-13-H3C(O)CH3
  324722.4278  0.1448 -6.5114 3 1599.7912628  595161404783741 3    783642 3      C-13-H3C(O)CH3
  324722.4290  0.1448 -6.5114 3 1599.7912628  595161404783841 3    783742 3      C-13-H3C(O)CH3
  324733.5878  0.0058 -6.1374 3  149.1957392  595161404241312 1    241015 1      C-13-H3C(O)CH3
  324736.7413  0.0179 -6.2406 3  276.5775504  5951614043123 9 1    312011 1      C-13-H3C(O)CH3
  324749.0873  0.1305 -6.0118 3 1341.1981A64  595161404665610 2    665511 2      C-13-H3C(O)CH3
  324755.6443  0.1605 -6.2103 3 1599.7789C56  595161404783741 1    783642 1      C-13-H3C(O)CH3
  324755.6457  0.1605 -6.2103 3 1599.7789C56  595161404783841 1    783742 1      C-13-H3C(O)CH3
  324756.9553  0.1518 -6.2106 3 1599.7821C56  595161404783741 2    783642 2      C-13-H3C(O)CH3
  324756.9563  0.1518 -6.2106 3 1599.7821C56  595161404783841 2    783742 2      C-13-H3C(O)CH3
  324777.0836  0.0257 -6.5588 3  276.5567252  5951614043123 9 3    312011 3      C-13-H3C(O)CH3
  324790.1289  0.1623 -6.2102 3 1599.7698C56  595161404783741 0    783642 0      C-13-H3C(O)CH3
  324790.1300  0.1623 -6.2102 3 1599.7698C56  595161404783841 0    783742 0      C-13-H3C(O)CH3
  324796.9013  0.1268 -6.3128 3 1341.1786532  595161404665610 3    665511 3      C-13-H3C(O)CH3
  324803.4702  0.0020 -3.8175 3  166.0091228  59516140428 722 4    27 621 4      C-13-H3C(O)CH3
  324803.4702  0.0020 -3.8175 3  166.0091228  59516140428 622 4    27 721 4      C-13-H3C(O)CH3
  324803.4847  0.0019 -3.8192 3  166.0090228  59516140428 622 3    27 721 3      C-13-H3C(O)CH3
  324803.4847  0.0019 -5.9729 3  166.0090228  59516140428 722 3    27 721 3      C-13-H3C(O)CH3
  324803.5184  0.0019 -5.9759 3  166.0090228 -59516140428 622 3    27 621 3      C-13-H3C(O)CH3
  324803.5184  0.0019 -3.8192 3  166.0090228 -59516140428 722 3    27 621 3      C-13-H3C(O)CH3
  324803.5184  0.0020 -6.3353 3  166.0091228 -59516140428 722 4    27 721 4      C-13-H3C(O)CH3
  324803.5184  0.0020 -6.3128 3  166.0091228 -59516140428 622 4    27 621 4      C-13-H3C(O)CH3
  324853.5743  0.1281 -6.3127 3 1341.1705532  595161404665611 3    665512 3      C-13-H3C(O)CH3
  324853.5772  0.1210 -6.0117 3 1341.1983A64  595161404665610 1    665511 1      C-13-H3C(O)CH3
  324861.2894  0.0023 -3.5164 3  165.9977456 -59516140428 722 1    27 621 1      C-13-H3C(O)CH3
  324861.2894  0.0023 -3.5175 3  165.9977456 -59516140428 622 1    27 721 1      C-13-H3C(O)CH3
  324861.3457  0.0023 -6.0215 3  165.9977456  59516140428 722 1    27 721 1      C-13-H3C(O)CH3
  324861.3457  0.0023 -5.7466 3  165.9977456  59516140428 622 1    27 621 1      C-13-H3C(O)CH3
  324862.2081  0.0023 -3.5157 3  165.9968456  59516140428 722 2    27 621 2      C-13-H3C(O)CH3
  324862.2081  0.0023 -6.3906 3  165.9968456  59516140428 622 2    27 621 2      C-13-H3C(O)CH3
  324862.2454  0.0023 -6.3840 3  165.9968456 -59516140428 722 2    27 721 2      C-13-H3C(O)CH3
  324862.2454  0.0023 -3.5157 3  165.9968456 -59516140428 622 2    27 721 2      C-13-H3C(O)CH3
  324867.8474  0.0057 -6.1345 3  149.1890392  595161404241312 0    241015 0      C-13-H3C(O)CH3
  324897.5432  0.0680 -5.9613 3 1299.2924572  595161404713140 3    713041 3      C-13-H3C(O)CH3
  324897.5433  0.0680 -5.9613 3 1299.2924572  595161404713240 3    713141 3      C-13-H3C(O)CH3
  324897.5507  0.0680 -5.9614 3 1299.2924572  595161404713240 4    713141 4      C-13-H3C(O)CH3
  324897.5507  0.0680 -5.9613 3 1299.2924572  595161404713140 4    713041 4      C-13-H3C(O)CH3
  324901.5220  0.1351 -6.0116 3 1341.1864A64  595161404665611 0    665511 0      C-13-H3C(O)CH3
  324901.5220  0.1351 -6.0116 3 1341.1864A64  595161404665610 0    665512 0      C-13-H3C(O)CH3
  324901.8225  0.1255 -6.0115 3 1341.1586A64  595161404665611 2    665512 2      C-13-H3C(O)CH3
  324909.4202  0.0658 -5.6602 3 1299.2720B44  595161404713140 1    713041 1      C-13-H3C(O)CH3
  324909.4202  0.0658 -5.6602 3 1299.2720B44  595161404713240 1    713141 1      C-13-H3C(O)CH3
  324913.7190  0.0679 -5.6609 3 1299.2742B44  595161404713140 2    713041 2      C-13-H3C(O)CH3
  324913.7190  0.0679 -5.6609 3 1299.2742B44  595161404713240 2    713141 2      C-13-H3C(O)CH3
  324919.9342  0.0020 -3.5150 3  165.9854456  59516140428 622 0    27 721 0      C-13-H3C(O)CH3
  324919.9374  0.0020 -3.5150 3  165.9854456 -59516140428 722 0    27 621 0      C-13-H3C(O)CH3
  324925.6187  0.0660 -5.6603 3 1299.2538B44  595161404713140 0    713041 0      C-13-H3C(O)CH3
  324925.6187  0.0660 -5.6603 3 1299.2538B44  595161404713240 0    713141 0      C-13-H3C(O)CH3
  324927.0855  0.0143 -6.2292 3  198.9533424  5951614042621 6 0    2618 9 0      C-13-H3C(O)CH3
  324928.2845  0.0213 -6.5026 3  243.0730236  5951614042922 8 4    291911 4      C-13-H3C(O)CH3
  324949.2395  0.1171 -6.0115 3 1341.1669A64  595161404665611 1    665512 1      C-13-H3C(O)CH3
  324949.4303  0.1477 -6.3125 3 1341.1391532  595161404665611 4    665512 4      C-13-H3C(O)CH3
  324952.0937  0.0199 -5.0592 3  950.6085A00  595161404622439 0    622240 0      C-13-H3C(O)CH3
  324952.0937  0.0199 -5.0592 3  950.6085A00  595161404622339 0    622340 0      C-13-H3C(O)CH3
  324975.1795  0.0147 -5.7305 3  296.5940536  595161404331914 2    331617 2      C-13-H3C(O)CH3
  324983.6223  0.0064 -5.3765 3   29.9272216  59516140413 310 0    12 211 0      C-13-H3C(O)CH3
  324983.7837  0.0064 -5.3765 3   29.9272216  59516140413 410 0    12 111 0      C-13-H3C(O)CH3
  325002.1834  0.0228 -5.5936 3  950.6145A00  595161404622339 1    622340 1      C-13-H3C(O)CH3
  325002.1834  0.0228 -5.2080 3  950.6145A00  595161404622339 1    622240 1      C-13-H3C(O)CH3
  325002.1834  0.0228 -5.2080 3  950.6145A00  595161404622439 1    622340 1      C-13-H3C(O)CH3
  325002.1834  0.0228 -5.5936 3  950.6145A00  595161404622439 1    622240 1      C-13-H3C(O)CH3
  325005.7363  0.0271 -6.1490 3  950.6149A00  595161404622339 2    622240 2      C-13-H3C(O)CH3
  325005.7363  0.0271 -5.0951 3  950.6149A00  595161404622439 2    622240 2      C-13-H3C(O)CH3
  325005.7363  0.0271 -5.0951 3  950.6149A00  595161404622339 2    622340 2      C-13-H3C(O)CH3
  325005.7363  0.0271 -6.1490 3  950.6149A00  595161404622439 2    622340 2      C-13-H3C(O)CH3
  325055.9131  0.0247 -5.4405 3  950.6210500  595161404622439 3    622240 3      C-13-H3C(O)CH3
  325055.9131  0.0247 -6.1268 3  950.6210500  595161404622339 3    622240 3      C-13-H3C(O)CH3
  325055.9131  0.0247 -5.4405 3  950.6210500  595161404622339 3    622340 3      C-13-H3C(O)CH3
  325055.9131  0.0247 -6.1268 3  950.6210500  595161404622439 3    622340 3      C-13-H3C(O)CH3
  325056.0507  0.0248 -5.3609 3  950.6210500  595161404622439 4    622340 4      C-13-H3C(O)CH3
  325056.0507  0.0248 -5.3609 3  950.6210500  595161404622339 4    622240 4      C-13-H3C(O)CH3
  325059.1327  0.0086 -5.5903 3  495.0411388  595161404481038 4    48 939 4      C-13-H3C(O)CH3
  325059.1327  0.0086 -5.5903 3  495.0411388  595161404481138 4    481039 4      C-13-H3C(O)CH3
  325059.1327  0.0086 -4.8172 3  495.0411388  595161404481038 4    481039 4      C-13-H3C(O)CH3
  325059.1327  0.0086 -4.8172 3  495.0411388  595161404481138 4    48 939 4      C-13-H3C(O)CH3
  325059.3729  0.0086 -6.1532 3  495.0411388  595161404481038 3    48 939 3      C-13-H3C(O)CH3
  325059.3729  0.0086 -4.7670 3  495.0411388  595161404481038 3    481039 3      C-13-H3C(O)CH3
  325059.3729  0.0086 -4.7670 3  495.0411388  595161404481138 3    48 939 3      C-13-H3C(O)CH3
  325059.3729  0.0086 -6.1532 3  495.0411388  595161404481138 3    481039 3      C-13-H3C(O)CH3
  325070.7944  0.0248 -6.4557 3  276.5567252  5951614043123 8 3    312011 3      C-13-H3C(O)CH3
  325089.6385  0.0086 -6.0730 3  495.0695776  595161404481138 2    48 939 2      C-13-H3C(O)CH3
  325089.6385  0.0086 -6.0730 3  495.0695776  595161404481038 2    481039 2      C-13-H3C(O)CH3
  325089.6474  0.0086 -4.4589 3  495.0695776 -595161404481038 2    48 939 2      C-13-H3C(O)CH3
  325089.6474  0.0086 -4.4589 3  495.0695776 -595161404481138 2    481039 2      C-13-H3C(O)CH3
  325090.8364  0.0088 -4.9337 3  495.0700776 -595161404481038 1    48 939 1      C-13-H3C(O)CH3
  325090.8364  0.0088 -4.9337 3  495.0700776 -595161404481138 1    481039 1      C-13-H3C(O)CH3
  325090.8467  0.0088 -4.6206 3  495.0700776  595161404481138 1    48 939 1      C-13-H3C(O)CH3
  325090.8467  0.0088 -4.6206 3  495.0700776  595161404481038 1    481039 1      C-13-H3C(O)CH3
  325095.6796  0.0119 -5.7303 3  296.6195536  595161404331914 0    331617 0      C-13-H3C(O)CH3
  325121.0767  0.0068 -5.4521 3  495.0983776  595161404481038 0    481039 0      C-13-H3C(O)CH3
  325121.0767  0.0068 -6.7358 3  495.0983776  595161404481138 0    48 939 0      C-13-H3C(O)CH3
  325121.0767  0.0068 -4.4938 3  495.0983776  595161404481138 0    481039 0      C-13-H3C(O)CH3
  325121.0775  0.0068 -4.4507 3  495.0983776 -595161404481038 0    48 939 0      C-13-H3C(O)CH3
  325136.2458  0.0106 -4.1186 3   87.0526296  5951614041813 6 1    1712 5 1      C-13-H3C(O)CH3
  325141.7985  0.0200 -6.8403 3  198.9358424  5951614042621 5 2    2618 9 2      C-13-H3C(O)CH3
  325182.2229  0.0183 -6.0323 3  296.5727268  595161404331914 3    331617 3      C-13-H3C(O)CH3
  325191.0099  0.0173 -6.0323 3  296.5727268  595161404331914 4    331617 4      C-13-H3C(O)CH3
  325234.3868  0.0172 -6.1671 3  276.5775504  5951614043123 8 1    312011 1      C-13-H3C(O)CH3
  325236.2672  0.1167 -5.8711 3 1151.3683968  5951614046055 6 0    6054 7 0      C-13-H3C(O)CH3
  325236.2672  0.1167 -5.8711 3 1151.3683968  5951614046055 5 0    6054 6 0      C-13-H3C(O)CH3
  325275.9066  0.1235 -5.8711 3 1151.3824968  5951614046055 5 2    6054 6 2      C-13-H3C(O)CH3
  325291.7891  0.0256 -6.4757 3  276.5562252  5951614043123 8 4    312011 4      C-13-H3C(O)CH3
  325302.5919  0.0148 -5.7311 3  296.5983536  595161404331914 1    331617 1      C-13-H3C(O)CH3
  325309.4520  0.1039 -5.8711 3 1151.3825968  5951614046055 6 1    6054 7 1      C-13-H3C(O)CH3
  325349.9653  0.1196 -6.1721 3 1151.3965484  5951614046055 6 3    6054 7 3      C-13-H3C(O)CH3
  325365.3404  0.0073 -6.3820 3   32.9362100  59516140412 8 4 3    11 5 7 3      C-13-H3C(O)CH3
  325367.6854  0.1134 -5.8710 3 1151.3988968  5951614046055 5 1    6054 6 1      C-13-H3C(O)CH3
  325382.0472  0.0142 -6.2141 3  243.0917472  5951614042922 8 1    291911 1      C-13-H3C(O)CH3
  325407.4915  0.1424 -6.1720 3 1151.4128484  5951614046055 5 4    6054 6 4      C-13-H3C(O)CH3
  325415.2442  0.1066 -5.8709 3 1151.3700968  5951614046055 6 2    6054 7 2      C-13-H3C(O)CH3
  325433.3722  0.0100 -4.0478 3   87.0503296 -5951614041813 6 2    1712 5 2      C-13-H3C(O)CH3
  325434.9340  0.0197 -6.5207 3  243.0742236  5951614042922 8 3    291911 3      C-13-H3C(O)CH3
  325436.6278  0.0205 -6.2421 3  276.5717504  5951614043123 9 2    312011 2      C-13-H3C(O)CH3
  325466.3526  0.0112 -5.6137 3  341.6506568  595161404352313 1    352016 1      C-13-H3C(O)CH3
  325479.4794  0.0084 -6.4141 3  466.1019380  595161404471038 4    47 939 4      C-13-H3C(O)CH3
  325479.4794  0.0084 -6.4141 3  466.1019380  59516140447 938 4    47 839 4      C-13-H3C(O)CH3
  325479.4794  0.0084 -4.7403 3  466.1019380  59516140447 938 4    47 939 4      C-13-H3C(O)CH3
  325479.4794  0.0084 -4.7403 3  466.1019380  595161404471038 4    47 839 4      C-13-H3C(O)CH3
  325479.7761  0.0083 -4.9916 3  466.1019380  59516140447 938 3    47 839 3      C-13-H3C(O)CH3
  325479.7761  0.0083 -4.9916 3  466.1019380  595161404471038 3    47 939 3      C-13-H3C(O)CH3
  325479.7761  0.0083 -5.0771 3  466.1019380  59516140447 938 3    47 939 3      C-13-H3C(O)CH3
  325479.7761  0.0083 -5.0771 3  466.1019380  595161404471038 3    47 839 3      C-13-H3C(O)CH3
  325487.9791  0.0111 -5.6135 3  341.6722568  595161404352313 0    352016 0      C-13-H3C(O)CH3
  325489.0796  0.1230 -6.1720 3 1151.3841484  5951614046055 6 4    6054 7 4      C-13-H3C(O)CH3
  325537.7511  0.0112 -6.6490 3   32.3544184  5951614041111 1 1    10 8 3 1      C-13-H3C(O)CH3
  325541.1144  0.0076 -6.3913 3   32.9362100  59516140412 8 4 4    11 5 7 4      C-13-H3C(O)CH3
  325544.5887  0.0085 -5.0485 3  466.1276760 -595161404471038 2    47 939 2      C-13-H3C(O)CH3
  325544.5887  0.0085 -5.0485 3  466.1276760 -59516140447 938 2    47 839 2      C-13-H3C(O)CH3
  325544.5934  0.0085 -4.5496 3  466.1276760  59516140447 938 2    47 939 2      C-13-H3C(O)CH3
  325544.5934  0.0085 -4.5496 3  466.1276760  595161404471038 2    47 839 2      C-13-H3C(O)CH3
  325545.9354  0.0086 -4.4301 3  466.1281760 -59516140447 938 1    47 839 1      C-13-H3C(O)CH3
  325545.9354  0.0086 -4.4301 3  466.1281760 -595161404471038 1    47 939 1      C-13-H3C(O)CH3
  325547.4592  0.1196 -6.1718 3 1151.4004484  5951614046055 5 3    6054 6 3      C-13-H3C(O)CH3
  325597.3498  0.0144 -5.9022 3  276.5927504  5951614043123 8 0    312011 0      C-13-H3C(O)CH3
  325602.3823  0.0068 -6.0750 3   32.8799200  59516140412 8 4 2    11 5 7 2      C-13-H3C(O)CH3
  325610.5006  0.0071 -6.0629 3  466.1537760 -59516140447 938 0    47 839 0      C-13-H3C(O)CH3
  325610.5006  0.0071 -6.0629 3  466.1537760 -595161404471038 0    47 939 0      C-13-H3C(O)CH3
  325610.5667  0.0071 -4.4401 3  466.1537760  595161404471038 0    47 839 0      C-13-H3C(O)CH3
  325610.5667  0.0071 -4.4401 3  466.1537760  59516140447 938 0    47 939 0      C-13-H3C(O)CH3
  325641.5949  0.0197 -6.1693 3  276.5717504  5951614043123 8 2    312011 2      C-13-H3C(O)CH3
  325667.0401  0.0064 -6.0787 3   32.8809200  59516140412 8 4 1    11 5 7 1      C-13-H3C(O)CH3
  325674.4727  0.0101 -6.1912 3  183.3547424  595161404261610 2    2517 8 2      C-13-H3C(O)CH3
  325675.4984  0.0124 -5.9174 3  341.6230284  595161404352313 3    352016 3      C-13-H3C(O)CH3
  325675.5916  0.0115 -5.9173 3  341.6230284  595161404352313 4    352016 4      C-13-H3C(O)CH3
  325680.5304  0.0206 -6.6173 3  243.0742236  5951614042922 7 3    291911 3      C-13-H3C(O)CH3
  325684.7493  0.0105 -6.6537 3   32.3597184  5951614041111 1 2    10 8 3 2      C-13-H3C(O)CH3
  325701.4527  0.0113 -5.6163 3  341.6447568  595161404352313 2    352016 2      C-13-H3C(O)CH3
  325709.4647  0.0128 -5.5341 3  274.2269260  595161404321815 3    311912 3      C-13-H3C(O)CH3
  325726.0386  0.0120 -5.5338 3  274.2264260  595161404321815 4    311912 4      C-13-H3C(O)CH3
  325740.0941  0.0097 -5.2342 3  274.2503520  595161404321815 1    311912 1      C-13-H3C(O)CH3
  325776.5812  0.0185 -6.9145 3  148.4855360  5951614042220 2 1    2217 5 1      C-13-H3C(O)CH3
  325783.3105  0.0047 -4.0751 3   87.0616148  5951614041813 6 3    1712 5 3      C-13-H3C(O)CH3
  325797.3150  0.0071 -6.8508 3  145.7317188  5951614042316 7 3    231112 3      C-13-H3C(O)CH3
  325806.0593  0.0210 -6.0221 3  392.1399308  595161404382117 3    372414 3      C-13-H3C(O)CH3
  325815.7561  0.0059 -6.0679 3   32.8247200  59516140412 8 4 0    11 5 7 0      C-13-H3C(O)CH3
  325818.0578  0.0152 -5.8094 3  183.3544212  595161404261610 4    2517 8 4      C-13-H3C(O)CH3
  325826.9340  0.0182 -5.1275 3  913.5140984  595161404612339 0    612240 0      C-13-H3C(O)CH3
  325826.9340  0.0182 -5.5832 3  913.5140984  595161404612239 0    612240 0      C-13-H3C(O)CH3
  325826.9340  0.0182 -5.5832 3  913.5140984  595161404612339 0    612140 0      C-13-H3C(O)CH3
  325826.9340  0.0182 -5.1275 3  913.5140984  595161404612239 0    612140 0      C-13-H3C(O)CH3
  325840.8556  0.1785 -6.4999 3 1481.2540564  595161404705713 4    705614 4      C-13-H3C(O)CH3
  325841.4943  0.0190 -6.0235 3  392.1388308  595161404382117 4    372414 4      C-13-H3C(O)CH3
  325847.7995  0.0132 -5.2223 3  316.6903536  5951614043325 9 0    3226 6 0      C-13-H3C(O)CH3
  325850.6485  0.0132 -5.2223 3  316.6903536  5951614043325 8 0    3226 7 0      C-13-H3C(O)CH3
  325854.4793  0.0020 -5.4975 3  170.4966236  59516140429 524 4    28 623 4      C-13-H3C(O)CH3
  325854.4793  0.0020 -3.7866 3  170.4966236  59516140429 624 4    28 623 4      C-13-H3C(O)CH3
  325854.4815  0.0020 -5.0744 3  170.4966236  59516140429 624 3    28 523 3      C-13-H3C(O)CH3
  325854.4815  0.0020 -5.0744 3  170.4966236  59516140429 524 3    28 623 3      C-13-H3C(O)CH3
  325854.5190  0.0020 -5.4975 3  170.4966236 -59516140429 624 4    28 523 4      C-13-H3C(O)CH3
  325854.5190  0.0020 -3.8008 3  170.4966236 -59516140429 624 3    28 623 3      C-13-H3C(O)CH3
  325854.5190  0.0020 -3.7866 3  170.4966236 -59516140429 524 4    28 523 4      C-13-H3C(O)CH3
  325854.5190  0.0020 -3.8008 3  170.4966236 -59516140429 524 3    28 523 3      C-13-H3C(O)CH3
  325864.0398  0.0167 -6.2435 3  243.0925472  5951614042922 8 2    291911 2      C-13-H3C(O)CH3
  325869.6747  0.0192 -5.7201 3  392.1602616  595161404382117 2    372414 2      C-13-H3C(O)CH3
  325870.5880  0.0085 -6.4618 3  437.7524372  59516140446 838 4    46 839 4      C-13-H3C(O)CH3
  325870.5880  0.0085 -4.7274 3  437.7524372  59516140446 838 4    46 739 4      C-13-H3C(O)CH3
  325870.5880  0.0085 -6.4618 3  437.7524372  59516140446 938 4    46 739 4      C-13-H3C(O)CH3
  325870.5880  0.0085 -4.7274 3  437.7524372  59516140446 938 4    46 839 4      C-13-H3C(O)CH3
  325870.9282  0.0083 -5.9722 3  437.7524372  59516140446 838 3    46 739 3      C-13-H3C(O)CH3
  325870.9282  0.0083 -4.7444 3  437.7524372  59516140446 838 3    46 839 3      C-13-H3C(O)CH3
  325870.9282  0.0083 -4.7444 3  437.7524372  59516140446 938 3    46 739 3      C-13-H3C(O)CH3
  325870.9282  0.0083 -5.9722 3  437.7524372  59516140446 938 3    46 839 3      C-13-H3C(O)CH3
  325884.9961  0.0211 -5.0312 3  913.5168984  595161404612339 1    612140 1      C-13-H3C(O)CH3
  325884.9961  0.0211 -5.0159 3  913.5168984  595161404612239 1    612140 1      C-13-H3C(O)CH3
  325884.9961  0.0211 -6.1168 3  913.5168984  595161404612339 1    612240 1      C-13-H3C(O)CH3
  325884.9961  0.0211 -6.3663 3  913.5168984  595161404612239 1    612240 1      C-13-H3C(O)CH3
  325888.1453  0.0247 -5.0016 3  913.5170984  595161404612339 2    612240 2      C-13-H3C(O)CH3
  325888.1453  0.0247 -4.9969 3  913.5170984  595161404612239 2    612140 2      C-13-H3C(O)CH3
  325907.0568  0.0023 -3.8119 3  170.4806472 -59516140429 624 1    28 523 1      C-13-H3C(O)CH3
  325907.0568  0.0023 -3.8119 3  170.4806472 -59516140429 524 1    28 623 1      C-13-H3C(O)CH3
  325907.0892  0.0023 -3.7467 3  170.4806472  59516140429 624 1    28 623 1      C-13-H3C(O)CH3
  325907.0892  0.0023 -3.7467 3  170.4806472  59516140429 524 1    28 523 1      C-13-H3C(O)CH3
  325907.6369  0.0023 -3.5168 3  170.4799472  59516140429 624 2    28 523 2      C-13-H3C(O)CH3
  325907.6369  0.0023 -3.5168 3  170.4799472  59516140429 524 2    28 623 2      C-13-H3C(O)CH3
  325907.6619  0.0023 -4.5361 3  170.4799472 -59516140429 524 2    28 523 2      C-13-H3C(O)CH3
  325907.6619  0.0023 -4.5361 3  170.4799472 -59516140429 624 2    28 623 2      C-13-H3C(O)CH3
  325928.0747  0.0186 -6.9127 3  148.4386360  5951614042220 3 2    2217 6 2      C-13-H3C(O)CH3
  325930.0871  0.0406 -6.6286 3  486.1752632  5951614043936 3 1    3837 1 1      C-13-H3C(O)CH3
  325946.3002  0.0222 -5.7700 3  913.5197492  595161404612239 3    612140 3      C-13-H3C(O)CH3
  325946.3002  0.0222 -5.4763 3  913.5197492  595161404612339 3    612140 3      C-13-H3C(O)CH3
  325946.3002  0.0222 -5.4763 3  913.5197492  595161404612239 3    612240 3      C-13-H3C(O)CH3
  325946.3002  0.0222 -5.7700 3  913.5197492  595161404612339 3    612240 3      C-13-H3C(O)CH3
  325946.4474  0.0223 -6.8807 3  913.5197492  595161404612239 4    612140 4      C-13-H3C(O)CH3
  325946.4474  0.0223 -5.3092 3  913.5197492  595161404612339 4    612140 4      C-13-H3C(O)CH3
  325946.4474  0.0223 -5.3035 3  913.5197492  595161404612239 4    612240 4      C-13-H3C(O)CH3
  325960.1208  0.0020 -4.6884 3  170.4640472  59516140429 624 0    28 523 0      C-13-H3C(O)CH3
  325960.1208  0.0020 -3.5045 3  170.4640472  59516140429 524 0    28 523 0      C-13-H3C(O)CH3
  325960.1304  0.0020 -4.6884 3  170.4640472 -59516140429 524 0    28 623 0      C-13-H3C(O)CH3
  325960.1304  0.0020 -3.5045 3  170.4640472 -59516140429 624 0    28 623 0      C-13-H3C(O)CH3
  325965.9683  0.1615 -6.4996 3 1481.2079564  595161404705714 3    705615 3      C-13-H3C(O)CH3
  325973.6528  0.0092 -5.8476 3  225.8218472  595161404291613 2    291316 2      C-13-H3C(O)CH3
  325976.3861  0.0082 -4.4187 3  437.7738744  59516140446 838 2    46 839 2      C-13-H3C(O)CH3
  325976.3861  0.0082 -4.4187 3  437.7738744  59516140446 938 2    46 739 2      C-13-H3C(O)CH3
  325977.6150  0.0084 -4.6682 3  437.7743744  59516140446 838 1    46 739 1      C-13-H3C(O)CH3
  325977.6150  0.0084 -4.7769 3  437.7743744  59516140446 838 1    46 839 1      C-13-H3C(O)CH3
  325977.6150  0.0084 -4.7769 3  437.7743744  59516140446 938 1    46 739 1      C-13-H3C(O)CH3
  325977.6150  0.0084 -4.6682 3  437.7743744  59516140446 938 1    46 839 1      C-13-H3C(O)CH3
  325985.8522  0.1707 -6.1986 3 1481.2498B28  595161404705713 2    705614 2      C-13-H3C(O)CH3
  325992.5759  0.1785 -6.4996 3 1481.2145564  595161404705713 3    705614 3      C-13-H3C(O)CH3
  325995.9410  0.0185 -6.9104 3  148.4248360  5951614042220 3 1    2217 6 1      C-13-H3C(O)CH3
  326000.6840  0.0105 -6.6570 3   32.4229184  5951614041111 0 1    10 8 2 1      C-13-H3C(O)CH3
  326001.4992  0.0126 -5.2215 3  316.6626536  5951614043325 9 2    3226 6 2      C-13-H3C(O)CH3
  326006.0761  0.0107 -5.8552 3  183.3567424  595161404261610 1    2517 8 1      C-13-H3C(O)CH3
  326024.5231  0.0096 -5.2280 3  274.2351520  595161404321815 2    311912 2      C-13-H3C(O)CH3
  326028.8628  0.2973 -6.6805 3 1785.3746C56  595161404785919 1    785820 1      C-13-H3C(O)CH3
  326038.5239  0.1515 -6.1985 3 1481.2443B28  595161404705713 1    705614 1      C-13-H3C(O)CH3
  326043.6560  0.0081 -5.2294 3  274.2589520  595161404321815 0    311912 0      C-13-H3C(O)CH3
  326044.0765  0.0451 -5.9411 3  510.7891348  595161404432617 3    432320 3      C-13-H3C(O)CH3
  326054.9259  0.0434 -5.9411 3  510.7891348  595161404432617 4    432320 4      C-13-H3C(O)CH3
  326064.8672  0.0080 -5.8464 3  225.8381472  595161404291613 0    291316 0      C-13-H3C(O)CH3
  326075.2943  0.0133 -5.2223 3  316.6439536  5951614043325 9 1    3226 7 1      C-13-H3C(O)CH3
  326082.8971  0.0073 -5.1766 3  437.7956744 -59516140446 938 0    46 839 0      C-13-H3C(O)CH3
  326082.8971  0.0073 -5.1766 3  437.7956744 -59516140446 838 0    46 739 0      C-13-H3C(O)CH3
  326082.9149  0.0073 -4.5009 3  437.7956744  59516140446 838 0    46 839 0      C-13-H3C(O)CH3
  326082.9149  0.0073 -4.5009 3  437.7956744  59516140446 938 0    46 739 0      C-13-H3C(O)CH3
  326093.1133  0.0113 -6.1500 3  225.8089236  595161404291613 3    291316 3      C-13-H3C(O)CH3
  326095.1996  0.0413 -5.6414 3  510.8093696  595161404432617 2    432320 2      C-13-H3C(O)CH3
  326102.4586  0.0116 -6.1500 3  225.8089236  595161404291613 4    291316 4      C-13-H3C(O)CH3
  326110.8212  0.1475 -6.1983 3 1481.2038B28  595161404705714 2    705615 2      C-13-H3C(O)CH3
  326113.1091  0.0040 -4.9026 3   56.1569124  5951614041510 6 4    14 7 7 4      C-13-H3C(O)CH3
  326117.3235  0.1851 -6.4993 3 1481.1685564  595161404705714 4    705615 4      C-13-H3C(O)CH3
  326121.4759  0.0171 -6.9174 3  148.4901360  5951614042220 2 2    2217 5 2      C-13-H3C(O)CH3
  326132.8278  0.3311 -6.6804 3 1785.3760C56  595161404785919 2    785820 2      C-13-H3C(O)CH3
  326162.0450  0.0130 -5.2213 3  316.6454536  5951614043325 8 1    3226 6 1      C-13-H3C(O)CH3
  326166.9446  0.0151 -6.3208 3  243.0917472  5951614042922 7 1    291911 1      C-13-H3C(O)CH3
  326171.4488  0.0158 -5.7174 3  392.1593616  595161404382117 1    372414 1      C-13-H3C(O)CH3
  326177.3913  0.1264 -6.2845 3 1310.1263524  5951614046556 9 4    655510 4      C-13-H3C(O)CH3
  326183.0203  0.1492 -6.1982 3 1481.2402B28  595161404705714 0    705614 0      C-13-H3C(O)CH3
  326183.0203  0.1492 -6.1982 3 1481.2402B28  595161404705713 0    705615 0      C-13-H3C(O)CH3
  326186.2433  0.0094 -5.8479 3  225.8252472  595161404291613 1    291316 1      C-13-H3C(O)CH3
  326188.6738  0.2329 -6.6802 3 1785.3388C56  595161404785920 2    785821 2      C-13-H3C(O)CH3
  326189.0737  0.1283 -5.9834 3 1310.1123A48  5951614046556 9 2    655510 2      C-13-H3C(O)CH3
  326189.8203  0.1468 -6.1982 3 1481.2048B28  595161404705714 1    705615 1      C-13-H3C(O)CH3
  326195.8332  0.2668 -6.6801 3 1785.3287C56  595161404785920 1    785821 1      C-13-H3C(O)CH3
  326197.4576  0.0602 -5.8841 3 1257.0465564  595161404703040 3    702941 3      C-13-H3C(O)CH3
  326197.4577  0.0602 -5.8840 3 1257.0465564  595161404703140 3    703041 3      C-13-H3C(O)CH3
  326197.4804  0.0603 -5.8837 3 1257.0466564  595161404703040 4    702941 4      C-13-H3C(O)CH3
  326197.4804  0.0603 -5.8838 3 1257.0466564  595161404703140 4    703041 4      C-13-H3C(O)CH3
  326200.5578  0.0132 -5.2217 3  316.6574536  5951614043325 8 2    3226 7 2      C-13-H3C(O)CH3
  326202.9096  0.0564 -5.5826 3 1257.0262B28  595161404703040 1    702941 1      C-13-H3C(O)CH3
  326202.9096  0.0564 -5.5826 3 1257.0262B28  595161404703140 1    703041 1      C-13-H3C(O)CH3
  326205.6549  0.0106 -6.6613 3   32.4219184  5951614041111 0 2    10 8 2 2      C-13-H3C(O)CH3
  326206.9255  0.0403 -6.6284 3  486.1473632  5951614043936 3 2    3837 1 2      C-13-H3C(O)CH3
  326207.4233  0.0599 -5.5838 3 1257.0281B28  595161404703040 2    702941 2      C-13-H3C(O)CH3
  326207.4233  0.0599 -5.5831 3 1257.0281B28  595161404703140 2    703041 2      C-13-H3C(O)CH3
  326212.9073  0.0564 -5.5826 3 1257.0078B28  595161404703140 0    703041 0      C-13-H3C(O)CH3
  326212.9073  0.0564 -5.5827 3 1257.0078B28  595161404703040 0    702941 0      C-13-H3C(O)CH3
  326215.5760  0.0084 -4.3079 3  153.8792392 -595161404241410 0    2315 9 0      C-13-H3C(O)CH3
  326216.6433  0.0103 -6.6427 3   32.3552184  5951614041111 1 0    10 8 2 0      C-13-H3C(O)CH3
  326222.5381  0.0156 -5.7157 3  392.1799616  595161404382117 0    372414 0      C-13-H3C(O)CH3
  326224.8254  0.0140 -5.5221 3  316.6161268  5951614043325 9 3    3226 6 3      C-13-H3C(O)CH3
  326233.3659  0.0367 -6.6269 3  486.1562632  5951614043936 3 0    3837 2 0      C-13-H3C(O)CH3
  326233.3659  0.0367 -6.6269 3  486.1562632  5951614043936 4 0    3837 1 0      C-13-H3C(O)CH3
  326233.3873  0.0091 -4.7156 3  409.9936364  59516140445 738 4    45 739 4      C-13-H3C(O)CH3
  326233.3873  0.0091 -4.7156 3  409.9936364  59516140445 838 4    45 639 4      C-13-H3C(O)CH3
  326233.7486  0.0087 -5.2640 3  409.9936364  59516140445 838 3    45 639 3      C-13-H3C(O)CH3
  326233.7486  0.0087 -5.2640 3  409.9936364  59516140445 738 3    45 739 3      C-13-H3C(O)CH3
  326233.7486  0.0087 -4.8600 3  409.9936364  59516140445 738 3    45 639 3      C-13-H3C(O)CH3
  326233.7486  0.0087 -4.8600 3  409.9936364  59516140445 838 3    45 739 3      C-13-H3C(O)CH3
  326249.4808  0.1206 -6.2844 3 1310.0980524  5951614046556 9 3    655510 3      C-13-H3C(O)CH3
  326254.7966  0.0227 -6.6399 3  243.0730236  5951614042922 7 4    291911 4      C-13-H3C(O)CH3
  326258.7732  0.0088 -4.3074 3  153.8764392 -595161404241410 2    2315 9 2      C-13-H3C(O)CH3
  326266.1303  0.2701 -6.7250 3 1629.2974596  595161404745816 4    745717 4      C-13-H3C(O)CH3
  326285.0634  0.1194 -5.8871 3 1123.2517952  5951614045955 5 0    5954 6 0      C-13-H3C(O)CH3
  326285.0634  0.1194 -5.8871 3 1123.2517952  5951614045955 4 0    5954 5 0      C-13-H3C(O)CH3
  326300.5532  0.2521 -6.6801 3 1785.3766C56  595161404785919 0    785820 0      C-13-H3C(O)CH3
  326300.5532  0.2521 -6.6801 3 1785.3766C56  595161404785920 0    785821 0      C-13-H3C(O)CH3
  326301.2518  0.1198 -5.9833 3 1310.1155A48  5951614046556 9 1    655510 1      C-13-H3C(O)CH3
  326312.2840  0.1379 -5.9832 3 1310.1015A48  5951614046556 9 0    655511 0      C-13-H3C(O)CH3
  326312.2840  0.1379 -5.9832 3 1310.1015A48  595161404655610 0    655510 0      C-13-H3C(O)CH3
  326313.9026  0.0157 -5.5212 3  316.6175268  5951614043325 8 4    3226 6 4      C-13-H3C(O)CH3
  326319.4635  0.0086 -6.6056 3  145.7290376  5951614042316 7 1    231112 1      C-13-H3C(O)CH3
  326327.5247  0.0122 -5.9646 3  243.1104472  5951614042922 8 0    291911 0      C-13-H3C(O)CH3
  326329.0250  0.0435 -6.6275 3  486.1044632  5951614043936 4 1    3837 2 1      C-13-H3C(O)CH3
  326334.4299  0.0024 -3.7534 3   87.0228296 -5951614041813 6 0    1712 5 0      C-13-H3C(O)CH3
  326337.3029  0.1248 -6.2842 3 1310.0910524  595161404655610 3    655511 3      C-13-H3C(O)CH3
  326348.5146  0.1242 -5.9831 3 1310.0770A48  595161404655610 2    655511 2      C-13-H3C(O)CH3
  326351.2278  0.1097 -5.8871 3 1123.2726952  5951614045955 5 1    5954 6 1      C-13-H3C(O)CH3
  326354.0148  0.2125 -6.7247 3 1629.2525596  595161404745817 3    745718 3      C-13-H3C(O)CH3
  326368.8749  0.0043 -4.8950 3   56.1563124  5951614041510 6 3    14 7 7 3      C-13-H3C(O)CH3
  326371.6683  0.0083 -6.5835 3  145.7252376  5951614042316 7 2    231112 2      C-13-H3C(O)CH3
  326372.4625  0.1153 -5.9831 3 1310.0872A48  595161404655610 1    655511 1      C-13-H3C(O)CH3
  326378.9413  0.0306 -6.2464 3  453.7962616  5951614043834 4 1    3735 2 1      C-13-H3C(O)CH3
  326382.6113  0.1327 -5.8869 3 1123.2675952  5951614045955 4 2    5954 5 2      C-13-H3C(O)CH3
  326386.2874  0.0079 -4.6862 3  410.0089728  59516140445 838 2    45 639 2      C-13-H3C(O)CH3
  326386.2874  0.0079 -4.6862 3  410.0089728  59516140445 738 2    45 739 2      C-13-H3C(O)CH3
  326386.2928  0.0079 -4.7461 3  410.0089728 -59516140445 738 2    45 639 2      C-13-H3C(O)CH3
  326386.2928  0.0079 -4.7461 3  410.0089728 -59516140445 838 2    45 739 2      C-13-H3C(O)CH3
  326387.4417  0.0236 -5.6429 3  510.8143696  595161404432617 1    432320 1      C-13-H3C(O)CH3
  326387.4539  0.0082 -5.2062 3  410.0094728  59516140445 838 1    45 639 1      C-13-H3C(O)CH3
  326387.4539  0.0082 -4.8987 3  410.0094728  59516140445 738 1    45 739 1      C-13-H3C(O)CH3
  326387.6049  0.0082 -4.5866 3  410.0094728 -59516140445 738 1    45 639 1      C-13-H3C(O)CH3
  326387.6049  0.0082 -4.4906 3  410.0094728 -59516140445 838 1    45 739 1      C-13-H3C(O)CH3
  326403.6946  0.0167 -6.2910 3  243.0925472  5951614042922 7 2    291911 2      C-13-H3C(O)CH3
  326408.6975  0.1421 -6.2841 3 1310.0627524  595161404655610 4    655511 4      C-13-H3C(O)CH3
  326422.1968  0.0151 -5.5223 3  316.6110268  5951614043325 9 4    3226 7 4      C-13-H3C(O)CH3
  326424.0521  0.0072 -6.5377 3  145.7225376  5951614042316 7 0    231112 0      C-13-H3C(O)CH3
  326424.6422  0.1288 -6.4227 3 1553.5992620  595161404773641 4    773542 4      C-13-H3C(O)CH3
  326424.6427  0.1288 -6.4227 3 1553.5992620  595161404773741 4    773642 4      C-13-H3C(O)CH3
  326424.6975  0.1288 -6.4227 3 1553.5992620  595161404773641 3    773542 3      C-13-H3C(O)CH3
  326424.6980  0.1288 -6.4227 3 1553.5992620  595161404773741 3    773642 3      C-13-H3C(O)CH3
  326433.0149  0.2460 -6.6362 3 1828.0836D36  595161404834142 2    834043 2      C-13-H3C(O)CH3
  326433.0312  0.2460 -6.6362 3 1828.0836D36  595161404834242 2    834143 2      C-13-H3C(O)CH3
  326433.9532  0.2606 -6.6360 3 1828.0809D36  595161404834142 1    834043 1      C-13-H3C(O)CH3
  326433.9753  0.2607 -6.6360 3 1828.0809D36  595161404834242 1    834143 1      C-13-H3C(O)CH3
  326437.5782  0.0227 -5.6442 3  510.8345696  595161404432617 0    432320 0      C-13-H3C(O)CH3
  326441.7966  0.2562 -6.7246 3 1629.2528596  595161404745816 3    745717 3      C-13-H3C(O)CH3
  326449.8161  0.1300 -6.1880 3 1123.2884476  5951614045955 5 3    5954 6 3      C-13-H3C(O)CH3
  326450.1234  0.1206 -5.8869 3 1123.2872952  5951614045955 4 1    5954 5 1      C-13-H3C(O)CH3
  326457.0860  0.1419 -6.1216 3 1553.5849C40  595161404773641 1    773542 1      C-13-H3C(O)CH3
  326457.0865  0.1419 -6.1216 3 1553.5849C40  595161404773741 1    773642 1      C-13-H3C(O)CH3
  326458.8487  0.1347 -6.1219 3 1553.5880C40  595161404773641 2    773542 2      C-13-H3C(O)CH3
  326458.8490  0.1347 -6.1219 3 1553.5880C40  595161404773741 2    773642 2      C-13-H3C(O)CH3
  326461.4525  0.2631 -6.6359 3 1828.0817D36  595161404834142 0    834043 0      C-13-H3C(O)CH3
  326461.4707  0.2631 -6.6359 3 1828.0817D36  595161404834242 0    834143 0      C-13-H3C(O)CH3
  326464.6695  0.2052 -6.4236 3 1629.2915B92  595161404745816 1    745717 1      C-13-H3C(O)CH3
  326488.1060  0.2376 -6.4235 3 1629.2978B92  595161404745816 2    745717 2      C-13-H3C(O)CH3
  326491.2045  0.1435 -6.1215 3 1553.5737C40  595161404773641 0    773542 0      C-13-H3C(O)CH3
  326491.2048  0.1435 -6.1215 3 1553.5737C40  595161404773741 0    773642 0      C-13-H3C(O)CH3
  326501.8752  0.1117 -5.8869 3 1123.2617952  5951614045955 5 2    5954 6 2      C-13-H3C(O)CH3
  326507.8227  0.0346 -6.5482 3  453.7765308  5951614043834 4 4    3735 2 4      C-13-H3C(O)CH3
  326510.3741  0.0134 -5.5213 3  316.6124268  5951614043325 8 3    3226 7 3      C-13-H3C(O)CH3
  326529.5466  0.2231 -6.7243 3 1629.2080596  595161404745817 4    745718 4      C-13-H3C(O)CH3
  326539.7478  0.0074 -4.6237 3  410.0246728  59516140445 838 0    45 639 0      C-13-H3C(O)CH3
  326539.7478  0.0074 -4.6237 3  410.0246728  59516140445 738 0    45 739 0      C-13-H3C(O)CH3
  326539.7780  0.0074 -4.8299 3  410.0246728 -59516140445 738 0    45 639 0      C-13-H3C(O)CH3
  326539.7780  0.0074 -4.8299 3  410.0246728 -59516140445 838 0    45 739 0      C-13-H3C(O)CH3
  326548.3081  0.1565 -6.1878 3 1123.3028476  5951614045955 4 4    5954 5 4      C-13-H3C(O)CH3
  326568.7809  0.0102 -4.7413 3  382.8266356  59516140444 638 4    44 539 4      C-13-H3C(O)CH3
  326568.7809  0.0102 -4.7413 3  382.8266356  59516140444 738 4    44 639 4      C-13-H3C(O)CH3
  326568.7809  0.0102 -6.0822 3  382.8266356  59516140444 738 4    44 539 4      C-13-H3C(O)CH3
  326568.7809  0.0102 -6.0822 3  382.8266356  59516140444 638 4    44 639 4      C-13-H3C(O)CH3
  326568.8174  0.1290 -6.1879 3 1123.2826476  5951614045955 5 4    5954 6 4      C-13-H3C(O)CH3
  326569.1294  0.0096 -5.0893 3  382.8265356  59516140444 638 3    44 639 3      C-13-H3C(O)CH3
  326569.1294  0.0096 -4.9654 3  382.8265356  59516140444 738 3    44 639 3      C-13-H3C(O)CH3
  326569.1294  0.0096 -4.9654 3  382.8265356  59516140444 638 3    44 539 3      C-13-H3C(O)CH3
  326569.1294  0.0096 -5.0893 3  382.8265356  59516140444 738 3    44 539 3      C-13-H3C(O)CH3
  326570.9031  0.0296 -6.2449 3  453.7949616  5951614043834 5 0    3735 3 0      C-13-H3C(O)CH3
  326570.9031  0.0296 -6.2449 3  453.7949616  5951614043834 4 0    3735 2 0      C-13-H3C(O)CH3
  326573.4740  0.0114 -5.7849 3  198.9879440  595161404271710 2    2618 8 2      C-13-H3C(O)CH3
  326575.9794  0.1760 -6.4233 3 1629.2529B92  595161404745817 2    745718 2      C-13-H3C(O)CH3
  326595.1201  0.0040 -4.5968 3   56.1153248  5951614041510 6 1    14 7 7 1      C-13-H3C(O)CH3
  326606.4611  0.0170 -5.5614 3  198.9855220  595161404271710 4    2618 8 4      C-13-H3C(O)CH3
  326611.7388  0.0103 -4.6033 3  153.8761196  595161404241410 3    2315 9 3      C-13-H3C(O)CH3
  326635.8843  0.0092 -4.3050 3  153.8768392  595161404241410 1    2315 9 1      C-13-H3C(O)CH3
  326640.2368  0.1930 -6.4231 3 1629.2470B92  595161404745817 1    745718 1      C-13-H3C(O)CH3
  326658.2039  0.0167 -6.0600 3  876.9942968  595161404602239 0    602140 0      C-13-H3C(O)CH3
  326658.2039  0.0167 -4.9720 3  876.9942968  595161404602239 0    602040 0      C-13-H3C(O)CH3
  326658.2039  0.0167 -4.9720 3  876.9942968  595161404602139 0    602140 0      C-13-H3C(O)CH3
  326658.2039  0.0167 -6.0600 3  876.9942968  595161404602139 0    602040 0      C-13-H3C(O)CH3
  326663.5040  0.0152 -5.9876 3  291.9369520  595161404322310 1    322013 1      C-13-H3C(O)CH3
  326668.1044  0.1284 -6.1877 3 1123.2970476  5951614045955 4 3    5954 5 3      C-13-H3C(O)CH3
  326686.4406  0.1740 -6.4231 3 1629.2920B92  595161404745817 0    745718 0      C-13-H3C(O)CH3
  326686.4406  0.1740 -6.4231 3 1629.2920B92  595161404745816 0    745717 0      C-13-H3C(O)CH3
  326697.1019  0.0197 -6.9146 3  148.4764360  5951614042220 2 0    2217 5 0      C-13-H3C(O)CH3
  326698.5266  0.0409 -6.6260 3  486.0953632  5951614043936 4 2    3837 2 2      C-13-H3C(O)CH3
  326699.2562  0.0302 -6.2457 3  453.7753616  5951614043834 4 2    3735 2 2      C-13-H3C(O)CH3
  326708.2878  0.0046 -4.5977 3   56.1118248  5951614041510 6 2    14 7 7 2      C-13-H3C(O)CH3
  326713.1202  0.0214 -6.2880 3  291.9145260  595161404322310 3    322013 3      C-13-H3C(O)CH3
  326713.3694  0.0246 -6.2919 3  291.9144260  595161404322310 4    322013 4      C-13-H3C(O)CH3
  326723.3836  0.0196 -5.8646 3  876.9933968  595161404602239 1    602040 1      C-13-H3C(O)CH3
  326723.3836  0.0196 -4.9923 3  876.9933968  595161404602239 1    602140 1      C-13-H3C(O)CH3
  326723.3836  0.0196 -5.8646 3  876.9933968  595161404602139 1    602140 1      C-13-H3C(O)CH3
  326723.3836  0.0196 -4.9923 3  876.9933968  595161404602139 1    602040 1      C-13-H3C(O)CH3
  326726.0933  0.0225 -5.1688 3  876.9934968  595161404602139 2    602040 2      C-13-H3C(O)CH3
  326726.0933  0.0225 -5.3220 3  876.9934968  595161404602239 2    602040 2      C-13-H3C(O)CH3
  326726.0933  0.0225 -5.1688 3  876.9934968  595161404602239 2    602140 2      C-13-H3C(O)CH3
  326726.0933  0.0225 -5.3220 3  876.9934968  595161404602139 2    602140 2      C-13-H3C(O)CH3
  326729.1615  0.0197 -6.9145 3  148.4754360  5951614042220 3 0    2217 6 0      C-13-H3C(O)CH3
  326756.9328  0.0128 -4.6077 3  153.8719196  595161404241410 4    2315 9 4      C-13-H3C(O)CH3
  326768.4388  0.0342 -6.2451 3  453.7362616  5951614043834 5 1    3735 3 1      C-13-H3C(O)CH3
  326775.4846  0.0080 -5.3275 3  382.8338712 -59516140444 638 2    44 639 2      C-13-H3C(O)CH3
  326775.4846  0.0080 -4.4775 3  382.8338712 -59516140444 738 2    44 639 2      C-13-H3C(O)CH3
  326775.5072  0.0080 -4.4775 3  382.8338712  59516140444 638 2    44 539 2      C-13-H3C(O)CH3
  326775.5072  0.0080 -5.3275 3  382.8338712  59516140444 738 2    44 539 2      C-13-H3C(O)CH3
  326776.5752  0.0085 -5.3695 3  382.8343712  59516140444 638 1    44 539 1      C-13-H3C(O)CH3
  326776.5752  0.0085 -5.3695 3  382.8343712  59516140444 738 1    44 639 1      C-13-H3C(O)CH3
  326776.7487  0.0085 -4.4720 3  382.8343712 -59516140444 738 1    44 539 1      C-13-H3C(O)CH3
  326776.7487  0.0085 -4.4720 3  382.8343712 -59516140444 638 1    44 639 1      C-13-H3C(O)CH3
  326791.3708  0.0200 -5.2441 3  876.9925484  595161404602239 3    602040 3      C-13-H3C(O)CH3
  326791.3708  0.0200 -6.6938 3  876.9925484  595161404602139 3    602040 3      C-13-H3C(O)CH3
  326791.3708  0.0200 -5.2539 3  876.9925484  595161404602139 3    602140 3      C-13-H3C(O)CH3
  326791.5239  0.0201 -5.6406 3  876.9924484  595161404602239 4    602040 4      C-13-H3C(O)CH3
  326791.5239  0.0201 -5.4575 3  876.9924484  595161404602139 4    602040 4      C-13-H3C(O)CH3
  326791.5239  0.0201 -5.4575 3  876.9924484  595161404602239 4    602140 4      C-13-H3C(O)CH3
  326791.5239  0.0201 -5.6406 3  876.9924484  595161404602139 4    602140 4      C-13-H3C(O)CH3
  326863.6599  0.0121 -5.4910 3  198.9891440  595161404271710 1    2618 8 1      C-13-H3C(O)CH3
  326864.7330  0.0354 -6.5461 3  453.7394308  5951614043834 4 3    3735 2 3      C-13-H3C(O)CH3
  326877.6551  0.0119 -4.7684 3  356.2523348  59516140443 538 4    43 439 4      C-13-H3C(O)CH3
  326877.6551  0.0119 -5.9644 3  356.2523348  59516140443 538 4    43 539 4      C-13-H3C(O)CH3
  326877.6551  0.0119 -4.7684 3  356.2523348  59516140443 638 4    43 539 4      C-13-H3C(O)CH3
  326877.6551  0.0119 -5.9644 3  356.2523348  59516140443 638 4    43 439 4      C-13-H3C(O)CH3
  326877.9426  0.0112 -4.7426 3  356.2522348  59516140443 538 3    43 539 3      C-13-H3C(O)CH3
  326877.9426  0.0112 -4.7426 3  356.2522348  59516140443 638 3    43 439 3      C-13-H3C(O)CH3
  326896.8198  0.0355 -6.5469 3  453.7167308  5951614043834 5 3    3735 3 3      C-13-H3C(O)CH3
  326902.8071  0.0101 -6.6422 3   32.3324184  5951614041111 0 0    10 8 3 0      C-13-H3C(O)CH3
  326925.6135  0.0021 -4.3765 3  174.4372244  59516140430 526 3    29 425 3      C-13-H3C(O)CH3
  326925.6135  0.0021 -3.8582 3  174.4372244  59516140430 426 3    29 425 3      C-13-H3C(O)CH3
  326925.6227  0.0021 -3.7986 3  174.4372244  59516140430 426 4    29 525 4      C-13-H3C(O)CH3
  326925.6227  0.0021 -4.6644 3  174.4372244  59516140430 526 4    29 525 4      C-13-H3C(O)CH3
  326925.6564  0.0021 -4.6644 3  174.4372244 -59516140430 426 4    29 425 4      C-13-H3C(O)CH3
  326925.6564  0.0021 -4.3765 3  174.4372244 -59516140430 426 3    29 525 3      C-13-H3C(O)CH3
  326925.6564  0.0021 -3.8582 3  174.4372244 -59516140430 526 3    29 525 3      C-13-H3C(O)CH3
  326925.6564  0.0021 -3.7986 3  174.4372244 -59516140430 526 4    29 425 4      C-13-H3C(O)CH3
  326968.2829  0.0036 -4.2257 3  137.6980188 -595161404231211 3    221310 3      C-13-H3C(O)CH3
  326972.3593  0.0024 -3.6408 3  174.4152488 -59516140430 426 1    29 525 1      C-13-H3C(O)CH3
  326972.3593  0.0024 -3.6408 3  174.4152488 -59516140430 526 1    29 425 1      C-13-H3C(O)CH3
  326972.3899  0.0024 -3.8769 3  174.4152488  59516140430 426 1    29 425 1      C-13-H3C(O)CH3
  326972.3899  0.0024 -3.8769 3  174.4152488  59516140430 526 1    29 525 1      C-13-H3C(O)CH3
  326972.7319  0.0024 -5.4442 3  174.4146488  59516140430 426 2    29 525 2      C-13-H3C(O)CH3
  326972.7319  0.0024 -3.4464 3  174.4146488  59516140430 526 2    29 525 2      C-13-H3C(O)CH3
  326972.7624  0.0024 -5.4442 3  174.4146488 -59516140430 526 2    29 425 2      C-13-H3C(O)CH3
  326972.7624  0.0024 -3.4464 3  174.4146488 -59516140430 426 2    29 425 2      C-13-H3C(O)CH3
  326982.5988  0.0076 -4.6233 3  382.8415712  59516140444 638 0    44 639 0      C-13-H3C(O)CH3
  326982.5988  0.0076 -4.6233 3  382.8415712  59516140444 738 0    44 539 0      C-13-H3C(O)CH3
  326982.6788  0.0076 -4.8461 3  382.8415712 -59516140444 738 0    44 639 0      C-13-H3C(O)CH3
  326982.6788  0.0076 -4.8461 3  382.8415712 -59516140444 638 0    44 539 0      C-13-H3C(O)CH3
  326986.8701  0.0029 -3.8417 3   83.8414140  5951614041715 2 4    1614 2 4      C-13-H3C(O)CH3
  326986.8831  0.0031 -3.9263 3  137.6895376 -595161404231211 2    221310 2      C-13-H3C(O)CH3
  326987.6841  0.0034 -4.2256 3  137.6977188 -595161404231211 4    221310 4      C-13-H3C(O)CH3
  327001.4853  0.0028 -5.4685 3   87.0616148  5951614041813 5 3    1712 5 3      C-13-H3C(O)CH3
  327006.8940  0.0030 -3.8418 3   83.7665140 -5951614041715 2 3    1614 2 3      C-13-H3C(O)CH3
  327019.3960  0.0021 -3.8725 3  174.3927488  59516140430 526 0    29 525 0      C-13-H3C(O)CH3
  327019.3960  0.0021 -3.6433 3  174.3927488  59516140430 426 0    29 525 0      C-13-H3C(O)CH3
  327019.4190  0.0021 -3.8725 3  174.3927488 -59516140430 426 0    29 425 0      C-13-H3C(O)CH3
  327019.4190  0.0021 -3.6433 3  174.3927488 -59516140430 526 0    29 425 0      C-13-H3C(O)CH3
  327040.8528  0.0033 -3.8416 3   83.7613140  5951614041715 3 3    1614 3 3      C-13-H3C(O)CH3
  327055.8250  0.0318 -6.2436 3  453.7381616  5951614043834 5 2    3735 3 2      C-13-H3C(O)CH3
  327058.3930  0.0031 -3.9250 3  137.6934376 -595161404231211 1    221310 1      C-13-H3C(O)CH3
  327061.2662  0.0033 -3.8416 3   83.6865140  5951614041715 3 4    1614 3 4      C-13-H3C(O)CH3
  327062.0529  0.0142 -6.2008 3  291.9369520  5951614043223 9 1    322013 1      C-13-H3C(O)CH3
  327064.3105  0.0038 -4.5963 3   56.0707248  5951614041510 6 0    14 7 7 0      C-13-H3C(O)CH3
  327068.3774  0.0027 -3.9266 3  137.6851376 -595161404231211 0    221310 0      C-13-H3C(O)CH3
  327112.8236  0.0219 -6.5061 3  291.9145260  5951614043223 9 3    322013 3      C-13-H3C(O)CH3
  327115.3887  0.0210 -6.4994 3  291.9144260  5951614043223 9 4    322013 4      C-13-H3C(O)CH3
  327120.2337  0.0141 -6.4825 3  198.9685220  595161404271710 3    2618 8 3      C-13-H3C(O)CH3
  327145.1677  0.0092 -4.5343 3  356.2493696 -59516140443 638 2    43 539 2      C-13-H3C(O)CH3
  327145.1677  0.0092 -4.5343 3  356.2493696 -59516140443 538 2    43 439 2      C-13-H3C(O)CH3
  327145.1958  0.0092 -5.1476 3  356.2493696  59516140443 638 2    43 439 2      C-13-H3C(O)CH3
  327145.1958  0.0092 -5.1476 3  356.2493696  59516140443 538 2    43 539 2      C-13-H3C(O)CH3
  327146.1416  0.0101 -6.1765 3  356.2498696  59516140443 538 1    43 539 1      C-13-H3C(O)CH3
  327146.1416  0.0101 -6.1765 3  356.2498696  59516140443 638 1    43 439 1      C-13-H3C(O)CH3
  327146.2149  0.0101 -4.4477 3  356.2498696 -59516140443 538 1    43 439 1      C-13-H3C(O)CH3
  327146.2149  0.0101 -4.4477 3  356.2498696 -59516140443 638 1    43 539 1      C-13-H3C(O)CH3
  327160.8862  0.0144 -4.8250 3  330.2716340  59516140442 438 4    42 339 4      C-13-H3C(O)CH3
  327160.8862  0.0144 -5.7878 3  330.2716340  59516140442 538 4    42 339 4      C-13-H3C(O)CH3
  327160.8862  0.0144 -4.8250 3  330.2716340  59516140442 538 4    42 439 4      C-13-H3C(O)CH3
  327160.8862  0.0144 -5.7878 3  330.2716340  59516140442 438 4    42 439 4      C-13-H3C(O)CH3
  327161.0470  0.0136 -4.9844 3  330.2716340  59516140442 538 3    42 439 3      C-13-H3C(O)CH3
  327161.0470  0.0136 -4.9844 3  330.2716340  59516140442 438 3    42 339 3      C-13-H3C(O)CH3
  327161.0470  0.0136 -5.2056 3  330.2716340  59516140442 438 3    42 439 3      C-13-H3C(O)CH3
  327161.0470  0.0136 -5.2056 3  330.2716340  59516140442 538 3    42 339 3      C-13-H3C(O)CH3
  327189.6088  0.0113 -5.7811 3  291.9559520  595161404322310 0    322013 0      C-13-H3C(O)CH3
  327215.5456  0.0027 -3.5399 3   83.7994280 -5951614041715 2 1    1614 2 1      C-13-H3C(O)CH3
  327226.3473  0.0240 -5.9444 3  422.7252600  5951614043732 5 1    3633 3 1      C-13-H3C(O)CH3
  327244.5480  0.0116 -5.7824 3  291.9336520  595161404322310 2    322013 2      C-13-H3C(O)CH3
  327250.5528  0.0407 -6.5448 3  453.6795308  5951614043834 5 4    3735 3 4      C-13-H3C(O)CH3
  327265.9397  0.0029 -3.5397 3   83.8063280 -5951614041715 2 2    1614 2 2      C-13-H3C(O)CH3
  327269.0023  0.0030 -3.5398 3   83.7195280 -5951614041715 3 1    1614 3 1      C-13-H3C(O)CH3
  327271.2084  0.1251 -5.9219 3 1095.6319936  5951614045855 4 0    5854 5 0      C-13-H3C(O)CH3
  327271.2084  0.1251 -5.9219 3 1095.6319936  5951614045855 3 0    5854 4 0      C-13-H3C(O)CH3
  327285.4483  0.0029 -3.5397 3   83.7316280 -5951614041715 3 2    1614 3 2      C-13-H3C(O)CH3
  327304.7230  0.0244 -5.9432 3  422.7394600  5951614043732 5 0    3633 4 0      C-13-H3C(O)CH3
  327304.7230  0.0244 -5.9432 3  422.7394600  5951614043732 6 0    3633 3 0      C-13-H3C(O)CH3
  327325.5228  0.1179 -5.9220 3 1095.6595936  5951614045855 4 1    5854 5 1      C-13-H3C(O)CH3
  327333.6923  0.3994 -6.8966 3 1910.4152D04  595161404816021 1    815922 1      C-13-H3C(O)CH3
  327412.9034  0.0087 -4.4673 3  356.2469696  59516140443 638 0    43 439 0      C-13-H3C(O)CH3
  327412.9034  0.0087 -4.4673 3  356.2469696  59516140443 538 0    43 539 0      C-13-H3C(O)CH3
  327412.9940  0.0087 -5.6355 3  356.2469696 -59516140443 638 0    43 539 0      C-13-H3C(O)CH3
  327412.9940  0.0087 -5.6355 3  356.2469696 -59516140443 538 0    43 439 0      C-13-H3C(O)CH3
  327416.2916  0.0029 -4.1506 3   87.0916148  5951614041813 5 4    1712 5 4      C-13-H3C(O)CH3
  327419.2947  0.0169 -5.0850 3  304.8856332  59516140441 338 3    41 339 3      C-13-H3C(O)CH3
  327419.2947  0.0169 -5.2234 3  304.8856332  59516140441 438 3    41 339 3      C-13-H3C(O)CH3
  327419.2947  0.0169 -5.0850 3  304.8856332  59516140441 438 3    41 239 3      C-13-H3C(O)CH3
  327419.2947  0.0169 -5.2234 3  304.8856332  59516140441 338 3    41 239 3      C-13-H3C(O)CH3
  327419.3466  0.0178 -4.9710 3  304.8856332  59516140441 338 4    41 339 4      C-13-H3C(O)CH3
  327419.3466  0.0178 -5.4547 3  304.8856332  59516140441 438 4    41 339 4      C-13-H3C(O)CH3
  327419.3466  0.0178 -4.9710 3  304.8856332  59516140441 438 4    41 239 4      C-13-H3C(O)CH3
  327419.3466  0.0178 -5.4547 3  304.8856332  59516140441 338 4    41 239 4      C-13-H3C(O)CH3
  327431.6191  0.1451 -5.9216 3 1095.6502936  5951614045855 4 2    5854 5 2      C-13-H3C(O)CH3
  327431.6653  0.0486 -5.5129 3 1215.3434B12  595161404692940 1    692841 1      C-13-H3C(O)CH3
  327431.6653  0.0486 -5.5190 3 1215.3434B12  595161404693040 1    692941 1      C-13-H3C(O)CH3
  327433.3803  0.0534 -5.8080 3 1215.3633556  595161404692940 3    692841 3      C-13-H3C(O)CH3
  327433.3803  0.0534 -5.8085 3 1215.3633556  595161404693040 3    692941 3      C-13-H3C(O)CH3
  327433.4193  0.0534 -5.8087 3 1215.3634556  595161404692940 4    692841 4      C-13-H3C(O)CH3
  327433.4193  0.0534 -5.8103 3 1215.3634556  595161404693040 4    692941 4      C-13-H3C(O)CH3
  327434.6432  0.0481 -5.5230 3 1215.3252B12  595161404692940 0    692941 0      C-13-H3C(O)CH3
  327434.6432  0.0481 -5.5221 3 1215.3252B12  595161404693040 0    692841 0      C-13-H3C(O)CH3
  327436.3172  0.0531 -5.5081 3 1215.3451B12  595161404692940 2    692841 2      C-13-H3C(O)CH3
  327436.3172  0.0531 -5.5081 3 1215.3451B12  595161404693040 2    692941 2      C-13-H3C(O)CH3
  327442.8570  0.0030 -4.0004 3   87.0526296 -5951614041813 5 1    1712 5 1      C-13-H3C(O)CH3
  327448.4923  0.0155 -4.8876 3  841.0501952  595161404592039 0    592040 0      C-13-H3C(O)CH3
  327448.4923  0.0155 -6.6882 3  841.0501952  595161404592139 0    592040 0      C-13-H3C(O)CH3
  327448.4923  0.0155 -4.8876 3  841.0501952  595161404592139 0    591940 0      C-13-H3C(O)CH3
  327448.4923  0.0155 -6.6882 3  841.0501952  595161404592039 0    591940 0      C-13-H3C(O)CH3
  327454.9937  0.0033 -4.0618 3   87.0503296 -5951614041813 5 2    1712 5 2      C-13-H3C(O)CH3
  327467.5650  0.1307 -5.9217 3 1095.6728936  5951614045855 3 1    5854 4 1      C-13-H3C(O)CH3
  327472.5252  0.0174 -5.4339 3  215.3107228  595161404281810 4    2719 8 4      C-13-H3C(O)CH3
  327473.5991  0.0267 -6.2456 3  422.6988300  5951614043732 5 4    3633 3 4      C-13-H3C(O)CH3
  327482.2141  0.4221 -6.8964 3 1910.4110D04  595161404816021 2    815922 2      C-13-H3C(O)CH3
  327487.0932  0.1425 -6.2228 3 1095.6779468  5951614045855 4 3    5854 5 3      C-13-H3C(O)CH3
  327487.5592  0.3477 -6.8962 3 1910.3722D04  595161404816022 1    815923 1      C-13-H3C(O)CH3
  327492.4675  0.0029 -3.5389 3   83.7645280 -5951614041715 3 0    1614 2 0      C-13-H3C(O)CH3
  327494.6841  0.0029 -3.5389 3   83.7644280 -5951614041715 2 0    1614 3 0      C-13-H3C(O)CH3
  327496.4453  0.0124 -6.4187 3  330.2562680  59516140442 538 2    42 339 2      C-13-H3C(O)CH3
  327496.4453  0.0124 -4.4828 3  330.2562680  59516140442 538 2    42 439 2      C-13-H3C(O)CH3
  327496.4453  0.0124 -6.4187 3  330.2562680  59516140442 438 2    42 439 2      C-13-H3C(O)CH3
  327496.4453  0.0124 -4.4828 3  330.2562680  59516140442 438 2    42 339 2      C-13-H3C(O)CH3
  327497.2596  0.0136 -4.4780 3  330.2567680  59516140442 438 1    42 439 1      C-13-H3C(O)CH3
  327497.2596  0.0136 -4.4780 3  330.2567680  59516140442 538 1    42 339 1      C-13-H3C(O)CH3
  327518.2544  0.0139 -6.0280 3  515.4890712  595161404442222 1    432519 1      C-13-H3C(O)CH3
  327519.6012  0.0181 -6.1725 3  841.0454952  595161404592139 1    592040 1      C-13-H3C(O)CH3
  327519.6012  0.0181 -4.9033 3  841.0454952  595161404592139 1    591940 1      C-13-H3C(O)CH3
  327519.6012  0.0181 -4.9033 3  841.0454952  595161404592039 1    592040 1      C-13-H3C(O)CH3
  327519.6012  0.0181 -6.1725 3  841.0454952  595161404592039 1    591940 1      C-13-H3C(O)CH3
  327521.8487  0.0203 -5.5999 3  841.0453952  595161404592139 2    592040 2      C-13-H3C(O)CH3
  327521.8487  0.0203 -4.9725 3  841.0453952  595161404592039 2    592040 2      C-13-H3C(O)CH3
  327521.8487  0.0203 -5.5999 3  841.0453952  595161404592039 2    591940 2      C-13-H3C(O)CH3
  327521.8487  0.0203 -4.9725 3  841.0453952  595161404592139 2    591940 2      C-13-H3C(O)CH3
  327523.3110  0.1199 -5.9216 3 1095.6512936  5951614045855 3 2    5854 4 2      C-13-H3C(O)CH3
  327525.6420  0.0145 -6.3276 3  515.4660356  595161404442222 3    432519 3      C-13-H3C(O)CH3
  327526.3281  0.0121 -5.4621 3  215.3165456  595161404281810 2    2719 8 2      C-13-H3C(O)CH3
  327528.8507  0.0147 -6.3275 3  515.4658356  595161404442222 4    432519 4      C-13-H3C(O)CH3
  327531.6767  0.3048 -6.8962 3 1910.3828D04  595161404816022 2    815923 2      C-13-H3C(O)CH3
  327551.2379  0.1285 -5.9605 3 1279.5322A32  5951614046456 8 2    6455 9 2      C-13-H3C(O)CH3
  327551.5472  0.0241 -5.9434 3  422.7130600  5951614043732 5 2    3633 3 2      C-13-H3C(O)CH3
  327555.0950  0.1596 -6.4578 3 1448.1853556  595161404695712 4    695613 4      C-13-H3C(O)CH3
  327561.2183  0.0119 -6.0275 3  515.5073712  595161404442222 0    432519 0      C-13-H3C(O)CH3
  327570.7577  0.0144 -6.0260 3  515.4842712  595161404442222 2    432519 2      C-13-H3C(O)CH3
  327575.0810  0.0272 -5.9430 3  422.6783600  5951614043732 6 1    3633 4 1      C-13-H3C(O)CH3
  327576.5273  0.1288 -6.2616 3 1279.5489516  5951614046456 8 4    6455 9 4      C-13-H3C(O)CH3
  327578.5071  0.1373 -6.2228 3 1095.6788468  5951614045855 4 4    5854 5 4      C-13-H3C(O)CH3
  327593.0596  0.0181 -5.6870 3  841.0406476  595161404592139 3    592040 3      C-13-H3C(O)CH3
  327593.0596  0.0181 -5.3438 3  841.0406476  595161404592139 3    591940 3      C-13-H3C(O)CH3
  327593.0596  0.0181 -5.3438 3  841.0406476  595161404592039 3    592040 3      C-13-H3C(O)CH3
  327593.0596  0.0181 -5.6870 3  841.0406476  595161404592039 3    591940 3      C-13-H3C(O)CH3
  327593.2139  0.0182 -6.0200 3  841.0406476  595161404592039 4    592040 4      C-13-H3C(O)CH3
  327593.2139  0.0182 -6.0200 3  841.0406476  595161404592139 4    591940 4      C-13-H3C(O)CH3
  327593.2139  0.0182 -5.2493 3  841.0406476  595161404592139 4    592040 4      C-13-H3C(O)CH3
  327593.2139  0.0182 -5.2493 3  841.0406476  595161404592039 4    591940 4      C-13-H3C(O)CH3
  327618.9016  0.3534 -6.8961 3 1910.4192D04  595161404816021 0    815922 0      C-13-H3C(O)CH3
  327618.9018  0.3534 -6.8961 3 1910.4192D04  595161404816022 0    815923 0      C-13-H3C(O)CH3
  327619.7385  0.1184 -6.2615 3 1279.5235516  5951614046456 8 3    6455 9 3      C-13-H3C(O)CH3
  327629.1807  0.1732 -6.2225 3 1095.6910468  5951614045855 3 4    5854 4 4      C-13-H3C(O)CH3
  327638.7951  0.1393 -5.9603 3 1279.5218A32  5951614046456 8 0    6455 9 0      C-13-H3C(O)CH3
  327638.7951  0.1393 -5.9603 3 1279.5218A32  5951614046456 9 0    645510 0      C-13-H3C(O)CH3
  327653.5370  0.0212 -5.0221 3  280.0951324  59516140440 338 3    40 139 3      C-13-H3C(O)CH3
  327653.5370  0.0212 -5.8960 3  280.0951324  59516140440 338 3    40 239 3      C-13-H3C(O)CH3
  327653.5370  0.0212 -5.8960 3  280.0951324  59516140440 238 3    40 139 3      C-13-H3C(O)CH3
  327653.5370  0.0212 -5.0221 3  280.0951324  59516140440 238 3    40 239 3      C-13-H3C(O)CH3
  327653.9112  0.0221 -5.1317 3  280.0951324  59516140440 238 4    40 139 4      C-13-H3C(O)CH3
  327653.9112  0.0221 -5.4697 3  280.0951324  59516140440 238 4    40 239 4      C-13-H3C(O)CH3
  327653.9112  0.0221 -5.1317 3  280.0951324  59516140440 338 4    40 239 4      C-13-H3C(O)CH3
  327653.9112  0.0221 -5.4697 3  280.0951324  59516140440 338 4    40 139 4      C-13-H3C(O)CH3
  327664.6223  0.1203 -5.9604 3 1279.5387A32  5951614046456 8 1    6455 9 1      C-13-H3C(O)CH3
  327665.3353  0.0133 -6.8741 3  148.6029376  5951614042317 6 1    231211 1      C-13-H3C(O)CH3
  327666.7083  0.1602 -6.1565 3 1448.1807B12  595161404695712 2    695613 2      C-13-H3C(O)CH3
  327678.3184  0.0096 -6.6103 3  148.5949376  5951614042317 6 0    231211 0      C-13-H3C(O)CH3
  327682.3754  0.0277 -6.2438 3  422.6746300  5951614043732 5 3    3633 3 3      C-13-H3C(O)CH3
  327694.5346  0.1628 -6.4575 3 1448.1488556  595161404695712 3    695613 3      C-13-H3C(O)CH3
  327695.5109  0.1543 -6.4575 3 1448.1412556  595161404695713 3    695614 3      C-13-H3C(O)CH3
  327706.9090  0.1146 -5.9603 3 1279.5131A32  5951614046456 9 1    645510 1      C-13-H3C(O)CH3
  327712.2177  0.1228 -5.9602 3 1279.5017A32  5951614046456 9 2    645510 2      C-13-H3C(O)CH3
  327721.2338  0.1394 -6.2225 3 1095.6920468  5951614045855 3 3    5854 4 3      C-13-H3C(O)CH3
  327738.0414  0.1234 -6.2613 3 1279.5184516  5951614046456 9 3    645510 3      C-13-H3C(O)CH3
  327740.5702  0.0121 -5.2542 3  215.3169456  595161404281810 1    2719 8 1      C-13-H3C(O)CH3
  327740.7137  0.1447 -6.1564 3 1448.1767B12  595161404695712 1    695613 1      C-13-H3C(O)CH3
  327761.3694  0.0253 -5.9417 3  422.6888600  5951614043732 6 2    3633 4 2      C-13-H3C(O)CH3
  327780.4608  0.1379 -6.2612 3 1279.4930516  5951614046456 9 4    645510 4      C-13-H3C(O)CH3
  327806.9107  0.1476 -6.1562 3 1448.1365B12  595161404695713 2    695614 2      C-13-H3C(O)CH3
  327820.7113  0.0280 -6.2442 3  422.6520300  5951614043732 6 3    3633 4 3      C-13-H3C(O)CH3
  327830.2908  0.0180 -4.5705 3  304.8554664  59516140441 338 2    41 239 2      C-13-H3C(O)CH3
  327830.2908  0.0180 -4.5705 3  304.8554664  59516140441 438 2    41 339 2      C-13-H3C(O)CH3
  327830.2908  0.0180 -5.7918 3  304.8554664  59516140441 338 2    41 339 2      C-13-H3C(O)CH3
  327830.2908  0.0180 -5.7918 3  304.8554664  59516140441 438 2    41 239 2      C-13-H3C(O)CH3
  327830.9806  0.0194 -6.8881 3  304.8558664  59516140441 338 1    41 239 1      C-13-H3C(O)CH3
  327830.9806  0.0194 -4.5473 3  304.8558664  59516140441 338 1    41 339 1      C-13-H3C(O)CH3
  327830.9806  0.0194 -6.8881 3  304.8558664  59516140441 438 1    41 339 1      C-13-H3C(O)CH3
  327830.9806  0.0194 -4.5473 3  304.8558664  59516140441 438 1    41 239 1      C-13-H3C(O)CH3
  327831.9953  0.0116 -4.6153 3  330.2414680  59516140442 438 0    42 339 0      C-13-H3C(O)CH3
  327831.9953  0.0116 -5.0404 3  330.2414680  59516140442 438 0    42 439 0      C-13-H3C(O)CH3
  327831.9953  0.0116 -5.0404 3  330.2414680  59516140442 538 0    42 339 0      C-13-H3C(O)CH3
  327831.9953  0.0116 -4.6153 3  330.2414680  59516140442 538 0    42 439 0      C-13-H3C(O)CH3
  327834.4991  0.1792 -6.4572 3 1448.1047556  595161404695713 4    695614 4      C-13-H3C(O)CH3
  327851.7526  0.1547 -6.1562 3 1448.1721B12  595161404695713 0    695614 0      C-13-H3C(O)CH3
  327851.7526  0.1547 -6.1562 3 1448.1721B12  595161404695712 0    695613 0      C-13-H3C(O)CH3
  327864.6294  0.0268 -5.2620 3  255.9010316  59516140439 138 3    39 039 3      C-13-H3C(O)CH3
  327864.6294  0.0268 -5.2620 3  255.9010316  59516140439 238 3    39 139 3      C-13-H3C(O)CH3
  327864.6294  0.0268 -6.1890 3  255.9010316  59516140439 138 3    39 139 3      C-13-H3C(O)CH3
  327864.6294  0.0268 -6.1890 3  255.9010316  59516140439 238 3    39 039 3      C-13-H3C(O)CH3
  327865.4628  0.0277 -5.3127 3  255.9010316  59516140439 138 4    39 039 4      C-13-H3C(O)CH3
  327865.4628  0.0277 -5.3127 3  255.9010316  59516140439 238 4    39 139 4      C-13-H3C(O)CH3
  327865.4628  0.0277 -5.9033 3  255.9010316  59516140439 138 4    39 139 4      C-13-H3C(O)CH3
  327865.4628  0.0277 -5.9033 3  255.9010316  59516140439 238 4    39 039 4      C-13-H3C(O)CH3
  327879.6051  0.1420 -6.1561 3 1448.1402B12  595161404695713 1    695614 1      C-13-H3C(O)CH3
  327896.2407  0.0133 -6.8662 3  148.5966376  5951614042317 6 2    231211 2      C-13-H3C(O)CH3
  327936.4623  0.0036 -4.1536 3   86.9456148  5951614041813 6 4    1712 6 4      C-13-H3C(O)CH3
  327975.4452  0.0095 -4.6501 3  198.9533440 -595161404271710 0    2618 9 0      C-13-H3C(O)CH3
  327987.0330  0.0060 -6.5547 3  134.7913188  595161404231112 3    23 815 3      C-13-H3C(O)CH3
  327988.6672  0.0080 -6.5547 3  134.7913188  595161404231112 4    23 815 4      C-13-H3C(O)CH3
  328009.8521  0.0022 -4.3823 3  177.8341252  59516140431 328 3    30 427 3      C-13-H3C(O)CH3
  328009.8521  0.0022 -4.3823 3  177.8341252  59516140431 428 3    30 327 3      C-13-H3C(O)CH3
  328009.8707  0.0022 -3.7531 3  177.8342252  59516140431 328 4    30 427 4      C-13-H3C(O)CH3
  328009.8707  0.0022 -3.7531 3  177.8342252  59516140431 428 4    30 327 4      C-13-H3C(O)CH3
  328009.9008  0.0022 -3.8142 3  177.8341252 -59516140431 428 3    30 427 3      C-13-H3C(O)CH3
  328009.9008  0.0022 -4.7373 3  177.8342252 -59516140431 428 4    30 427 4      C-13-H3C(O)CH3
  328009.9008  0.0022 -3.8142 3  177.8341252 -59516140431 328 3    30 327 3      C-13-H3C(O)CH3
  328009.9008  0.0022 -4.7373 3  177.8342252 -59516140431 328 4    30 327 4      C-13-H3C(O)CH3
  328028.1111  0.0323 -6.2425 3  422.6277300  5951614043732 6 4    3633 4 4      C-13-H3C(O)CH3
  328040.7573  0.1145 -6.3356 3 1507.9600612  595161404763541 4    763442 4      C-13-H3C(O)CH3
  328040.7574  0.1145 -6.3356 3 1507.9600612  595161404763641 4    763542 4      C-13-H3C(O)CH3
  328040.8041  0.1145 -6.3356 3 1507.9599612  595161404763541 3    763442 3      C-13-H3C(O)CH3
  328040.8042  0.1145 -6.3356 3 1507.9599612  595161404763641 3    763542 3      C-13-H3C(O)CH3
  328049.6794  0.0024 -4.5805 3  177.8043504  59516140431 428 1    30 427 1      C-13-H3C(O)CH3
  328049.6794  0.0024 -3.4394 3  177.8043504  59516140431 328 1    30 427 1      C-13-H3C(O)CH3
  328049.8147  0.0024 -3.4102 3  177.8038504 -59516140431 328 2    30 327 2      C-13-H3C(O)CH3
  328049.8147  0.0024 -3.4394 3  177.8043504 -59516140431 428 1    30 327 1      C-13-H3C(O)CH3
  328049.8147  0.0024 -4.5805 3  177.8043504 -59516140431 328 1    30 327 1      C-13-H3C(O)CH3
  328049.8147  0.0024 -3.4102 3  177.8038504 -59516140431 428 2    30 427 2      C-13-H3C(O)CH3
  328049.8874  0.0024 -6.0294 3  177.8038504  59516140431 428 2    30 327 2      C-13-H3C(O)CH3
  328049.8874  0.0024 -6.0294 3  177.8038504  59516140431 328 2    30 427 2      C-13-H3C(O)CH3
  328055.8066  0.0145 -5.9937 3  215.2911228  595161404281810 3    2719 8 3      C-13-H3C(O)CH3
  328071.4465  0.1246 -6.0345 3 1507.9438C24  595161404763541 1    763442 1      C-13-H3C(O)CH3
  328071.4467  0.1246 -6.0345 3 1507.9438C24  595161404763641 1    763542 1      C-13-H3C(O)CH3
  328073.7029  0.1191 -6.0349 3 1507.9468C24  595161404763541 2    763442 2      C-13-H3C(O)CH3
  328073.7030  0.1191 -6.0349 3 1507.9468C24  595161404763641 2    763542 2      C-13-H3C(O)CH3
  328089.6484  0.0021 -3.4096 3  177.7740504 -59516140431 328 0    30 327 0      C-13-H3C(O)CH3
  328089.6484  0.0021 -3.4096 3  177.7740504 -59516140431 428 0    30 427 0      C-13-H3C(O)CH3
  328089.6484  0.0021 -6.2859 3  177.7740504 -59516140431 328 0    30 427 0      C-13-H3C(O)CH3
  328089.6484  0.0021 -6.2859 3  177.7740504 -59516140431 428 0    30 327 0      C-13-H3C(O)CH3
  328104.3232  0.1261 -6.0344 3 1507.9308C24  595161404763541 0    763442 0      C-13-H3C(O)CH3
  328104.3233  0.1261 -6.0344 3 1507.9308C24  595161404763641 0    763542 0      C-13-H3C(O)CH3
  328136.0561  0.0117 -4.6822 3  198.9358440 -595161404271710 2    2618 9 2      C-13-H3C(O)CH3
  328147.7111  0.0259 -6.0809 3  280.0474648  59516140440 238 2    40 239 2      C-13-H3C(O)CH3
  328147.7111  0.0259 -4.6817 3  280.0474648  59516140440 338 2    40 239 2      C-13-H3C(O)CH3
  328147.7111  0.0259 -6.0809 3  280.0474648  59516140440 338 2    40 139 2      C-13-H3C(O)CH3
  328147.7111  0.0259 -4.6817 3  280.0474648  59516140440 238 2    40 139 2      C-13-H3C(O)CH3
  328148.3014  0.0275 -4.7447 3  280.0478648  59516140440 238 1    40 239 1      C-13-H3C(O)CH3
  328148.3014  0.0275 -5.4398 3  280.0478648  59516140440 238 1    40 139 1      C-13-H3C(O)CH3
  328148.3014  0.0275 -5.4398 3  280.0478648  59516140440 338 1    40 239 1      C-13-H3C(O)CH3
  328148.3014  0.0275 -4.7447 3  280.0478648  59516140440 338 1    40 139 1      C-13-H3C(O)CH3
  328162.0147  0.0059 -6.2509 3  134.7789376  595161404231112 2    23 815 2      C-13-H3C(O)CH3
  328198.7138  0.1344 -5.9858 3 1068.5070920  5951614045755 2 0    5754 4 0      C-13-H3C(O)CH3
  328198.7138  0.1344 -5.9858 3 1068.5070920  5951614045755 3 0    5754 3 0      C-13-H3C(O)CH3
  328200.2909  0.0143 -4.8316 3  805.6830936  595161404582039 0    581840 0      C-13-H3C(O)CH3
  328200.2909  0.0143 -6.7210 3  805.6830936  595161404582039 0    581940 0      C-13-H3C(O)CH3
  328200.2909  0.0143 -4.8316 3  805.6830936  595161404581939 0    581940 0      C-13-H3C(O)CH3
  328200.2909  0.0143 -6.7210 3  805.6830936  595161404581939 0    581840 0      C-13-H3C(O)CH3
  328228.1443  0.0058 -6.2513 3  134.7805376  595161404231112 1    23 815 1      C-13-H3C(O)CH3
  328236.4447  0.1285 -5.9859 3 1068.5415920  5951614045755 3 1    5754 4 1      C-13-H3C(O)CH3
  328241.1010  0.0168 -6.2128 3  304.8256664  59516140441 338 0    41 339 0      C-13-H3C(O)CH3
  328241.1010  0.0168 -6.2128 3  304.8256664  59516140441 438 0    41 239 0      C-13-H3C(O)CH3
  328241.1010  0.0168 -4.5532 3  304.8256664  59516140441 438 0    41 339 0      C-13-H3C(O)CH3
  328241.1010  0.0168 -4.5532 3  304.8256664  59516140441 338 0    41 239 0      C-13-H3C(O)CH3
  328242.2537  0.0087 -4.7166 3  215.3079456  595161404281810 0    2719 9 0      C-13-H3C(O)CH3
  328258.2053  0.2401 -6.6724 3 1594.2298588  595161404735815 4    735716 4      C-13-H3C(O)CH3
  328275.7806  0.0167 -5.3177 3  805.6743936  595161404582039 1    581940 1      C-13-H3C(O)CH3
  328275.7806  0.0167 -4.9946 3  805.6743936  595161404582039 1    581840 1      C-13-H3C(O)CH3
  328275.7806  0.0167 -4.9946 3  805.6743936  595161404581939 1    581940 1      C-13-H3C(O)CH3
  328275.7806  0.0167 -5.3177 3  805.6743936  595161404581939 1    581840 1      C-13-H3C(O)CH3
  328277.5562  0.0183 -4.9023 3  805.6741936  595161404581939 2    581840 2      C-13-H3C(O)CH3
  328277.5562  0.0183 -5.6173 3  805.6741936  595161404581939 2    581940 2      C-13-H3C(O)CH3
  328277.5562  0.0183 -4.9023 3  805.6741936  595161404582039 2    581940 2      C-13-H3C(O)CH3
  328277.5562  0.0183 -5.6173 3  805.6741936  595161404582039 2    581840 2      C-13-H3C(O)CH3
  328303.8973  0.0059 -6.5541 3  134.7913188  595161404231212 3    23 915 3      C-13-H3C(O)CH3
  328303.9310  0.0079 -6.5541 3  134.7913188  595161404231212 4    23 915 4      C-13-H3C(O)CH3
  328308.2938  0.0033 -4.0012 3   86.9468296 -5951614041813 6 1    1712 6 1      C-13-H3C(O)CH3
  328348.4865  0.0026 -5.4659 3   86.9760148  5951614041813 6 3    1712 6 3      C-13-H3C(O)CH3
  328353.1508  0.0166 -5.4278 3  805.6654468  595161404582039 3    581840 3      C-13-H3C(O)CH3
  328353.1508  0.0166 -5.4272 3  805.6654468  595161404582039 3    581940 3      C-13-H3C(O)CH3
  328353.1508  0.0166 -5.4278 3  805.6654468  595161404581939 3    581940 3      C-13-H3C(O)CH3
  328353.1508  0.0166 -5.4272 3  805.6654468  595161404581939 3    581840 3      C-13-H3C(O)CH3
  328353.3005  0.0167 -5.3353 3  805.6654468  595161404582039 4    581940 4      C-13-H3C(O)CH3
  328353.3005  0.0167 -5.3353 3  805.6654468  595161404581939 4    581840 4      C-13-H3C(O)CH3
  328353.3005  0.0167 -5.5449 3  805.6654468  595161404582039 4    581840 4      C-13-H3C(O)CH3
  328353.3005  0.0167 -5.5449 3  805.6654468  595161404581939 4    581940 4      C-13-H3C(O)CH3
  328363.3465  0.2667 -6.6191 3 1748.2919C40  595161404775918 1    775819 1      C-13-H3C(O)CH3
  328364.2544  0.1997 -6.6721 3 1594.1846588  595161404735816 3    735717 3      C-13-H3C(O)CH3
  328396.3164  0.0033 -4.0628 3   86.9514296 -5951614041813 6 2    1712 6 2      C-13-H3C(O)CH3
  328402.2107  0.0057 -6.2482 3  134.7682376  595161404231112 0    23 815 0      C-13-H3C(O)CH3
  328418.4156  0.2109 -6.8409 3 1779.0913660  595161404824042 4    823943 4      C-13-H3C(O)CH3
  328418.4229  0.2109 -6.8409 3 1779.0913660  595161404824142 4    824043 4      C-13-H3C(O)CH3
  328418.4920  0.2109 -6.8409 3 1779.0913660  595161404824042 3    823943 3      C-13-H3C(O)CH3
  328418.4993  0.2109 -6.8409 3 1779.0913660  595161404824142 3    824043 3      C-13-H3C(O)CH3
  328423.6178  0.1440 -5.9855 3 1068.5541920  5951614045755 2 1    5754 3 1      C-13-H3C(O)CH3
  328426.3431  0.1611 -5.9854 3 1068.5291920  5951614045755 3 2    5754 4 2      C-13-H3C(O)CH3
  328434.8719  0.2351 -6.6720 3 1594.1875588  595161404735815 3    735716 3      C-13-H3C(O)CH3
  328439.7432  0.3055 -6.6190 3 1748.2959C40  595161404775918 2    775819 2      C-13-H3C(O)CH3
  328448.7625  0.2214 -6.5400 3 1779.0899D20  595161404824042 2    823943 2      C-13-H3C(O)CH3
  328448.7684  0.2214 -6.5400 3 1779.0899D20  595161404824142 2    824043 2      C-13-H3C(O)CH3
  328449.6300  0.0365 -5.0754 3  255.8332632  59516140439 138 2    39 139 2      C-13-H3C(O)CH3
  328449.6300  0.0365 -5.4101 3  255.8332632  59516140439 138 2    39 039 2      C-13-H3C(O)CH3
  328449.6300  0.0365 -5.4101 3  255.8332632  59516140439 238 2    39 139 2      C-13-H3C(O)CH3
  328449.6300  0.0365 -5.0754 3  255.8332632  59516140439 238 2    39 039 2      C-13-H3C(O)CH3
  328449.6359  0.2358 -6.5397 3 1779.0870D20  595161404824042 1    823943 1      C-13-H3C(O)CH3
  328449.6440  0.2358 -6.5397 3 1779.0870D20  595161404824142 1    824043 1      C-13-H3C(O)CH3
  328449.6667  0.0123 -4.8016 3  215.2857456  595161404281810 2    2719 9 2      C-13-H3C(O)CH3
  328450.1652  0.0380 -4.9394 3  255.8336632  59516140439 138 1    39 139 1      C-13-H3C(O)CH3
  328450.1652  0.0380 -4.9394 3  255.8336632  59516140439 238 1    39 039 1      C-13-H3C(O)CH3
  328450.1652  0.0380 -6.1015 3  255.8336632  59516140439 138 1    39 039 1      C-13-H3C(O)CH3
  328450.1652  0.0380 -6.1015 3  255.8336632  59516140439 238 1    39 139 1      C-13-H3C(O)CH3
  328453.9147  0.2191 -6.3710 3 1594.2312B76  595161404735815 2    735716 2      C-13-H3C(O)CH3
  328459.0429  0.1896 -6.3709 3 1594.2244B76  595161404735815 1    735716 1      C-13-H3C(O)CH3
  328465.2674  0.0096 -4.4415 3  168.2465408 -595161404251510 0    2416 9 0      C-13-H3C(O)CH3
  328465.2827  0.1571 -6.2866 3 1068.5635460  5951614045755 3 3    5754 4 3      C-13-H3C(O)CH3
  328479.8338  0.2381 -6.5397 3 1779.0856D20  595161404824042 0    823943 0      C-13-H3C(O)CH3
  328479.8404  0.2382 -6.5397 3 1779.0856D20  595161404824142 0    824043 0      C-13-H3C(O)CH3
  328482.6633  0.1309 -5.9855 3 1068.5367920  5951614045755 2 2    5754 3 2      C-13-H3C(O)CH3
  328488.5320  0.0058 -6.2502 3  134.7789376  595161404231212 2    23 915 2      C-13-H3C(O)CH3
  328497.7342  0.0078 -5.7729 3  243.7246488  595161404301813 2    301516 2      C-13-H3C(O)CH3
  328510.4465  0.0044 -4.8461 3   54.2539124  59516140415 9 7 4    14 6 8 4      C-13-H3C(O)CH3
  328510.8781  0.2163 -6.6187 3 1748.2567C40  595161404775919 2    775820 2      C-13-H3C(O)CH3
  328514.3563  0.0085 -6.0752 3  243.7090244  595161404301813 4    301516 4      C-13-H3C(O)CH3
  328517.3816  0.0078 -6.0752 3  243.7090244  595161404301813 3    301516 3      C-13-H3C(O)CH3
  328521.3576  0.1472 -6.2867 3 1068.5711460  5951614045755 3 4    5754 4 4      C-13-H3C(O)CH3
  328522.9445  0.0076 -5.7717 3  243.7440488  595161404301813 0    301516 0      C-13-H3C(O)CH3
  328531.2592  0.0099 -4.5591 3  183.2681424 -595161404261610 0    2517 9 0      C-13-H3C(O)CH3
  328538.7399  0.0206 -5.6882 3  392.9982584  5951614043630 7 0    3531 4 0      C-13-H3C(O)CH3
  328538.7402  0.0206 -5.6882 3  392.9982584  5951614043630 6 0    3531 5 0      C-13-H3C(O)CH3
  328540.7098  0.2199 -6.6717 3 1594.1425588  595161404735816 4    735717 4      C-13-H3C(O)CH3
  328542.0662  0.0077 -5.7732 3  243.7284488  595161404301813 1    301516 1      C-13-H3C(O)CH3
  328543.2274  0.0035 -4.8460 3   54.2538124  59516140415 9 7 3    14 6 8 3      C-13-H3C(O)CH3
  328544.4005  0.2463 -6.6187 3 1748.2474C40  595161404775919 1    775820 1      C-13-H3C(O)CH3
  328545.4407  0.0058 -6.2506 3  134.7805376  595161404231212 1    23 915 1      C-13-H3C(O)CH3
  328545.6409  0.0098 -4.4433 3  168.2388408 -595161404251510 2    2416 9 2      C-13-H3C(O)CH3
  328559.9200  0.1728 -6.3707 3 1594.1860B76  595161404735816 2    735717 2      C-13-H3C(O)CH3
  328567.2838  0.0201 -5.6889 3  392.9714584  5951614043630 6 1    3531 4 1      C-13-H3C(O)CH3
  328573.3043  0.0153 -4.9608 3  198.9200220  595161404271710 3    2618 9 3      C-13-H3C(O)CH3
  328594.4826  0.0411 -6.0674 3 1174.2078A96  595161404682940 0    682841 0      C-13-H3C(O)CH3
  328594.4826  0.0411 -5.5474 3 1174.2078A96  595161404682940 0    682741 0      C-13-H3C(O)CH3
  328594.4826  0.0411 -6.0787 3 1174.2078A96  595161404682840 0    682741 0      C-13-H3C(O)CH3
  328594.4826  0.0411 -5.5441 3 1174.2078A96  595161404682840 0    682841 0      C-13-H3C(O)CH3
  328599.2517  0.0421 -5.4340 3 1174.2253A96  595161404682840 1    682841 1      C-13-H3C(O)CH3
  328599.2517  0.0421 -5.4340 3 1174.2253A96  595161404682940 1    682741 1      C-13-H3C(O)CH3
  328603.9583  0.0474 -5.4657 3 1174.2268A96  595161404682940 2    682741 2      C-13-H3C(O)CH3
  328603.9583  0.0474 -6.5693 3 1174.2268A96  595161404682940 2    682841 2      C-13-H3C(O)CH3
  328603.9583  0.0474 -6.4299 3 1174.2268A96  595161404682840 2    682741 2      C-13-H3C(O)CH3
  328603.9583  0.0474 -5.4789 3 1174.2268A96  595161404682840 2    682841 2      C-13-H3C(O)CH3
  328608.7770  0.0474 -5.7370 3 1174.2443548  595161404682940 3    682741 3      C-13-H3C(O)CH3
  328608.7770  0.0474 -5.7388 3 1174.2443548  595161404682840 3    682841 3      C-13-H3C(O)CH3
  328608.8329  0.0474 -5.7709 3 1174.2444548  595161404682940 4    682841 4      C-13-H3C(O)CH3
  328608.8329  0.0474 -6.8213 3 1174.2444548  595161404682940 4    682741 4      C-13-H3C(O)CH3
  328608.8329  0.0474 -6.8208 3 1174.2444548  595161404682840 4    682841 4      C-13-H3C(O)CH3
  328608.8329  0.0474 -5.7709 3 1174.2444548  595161404682840 4    682741 4      C-13-H3C(O)CH3
  328619.0291  0.2214 -6.6186 3 1748.2961C40  595161404775918 0    775819 0      C-13-H3C(O)CH3
  328619.0291  0.2214 -6.6186 3 1748.2961C40  595161404775919 0    775820 0      C-13-H3C(O)CH3
  328635.5150  0.1825 -6.3706 3 1594.1822B76  595161404735816 1    735717 1      C-13-H3C(O)CH3
  328641.3356  0.0246 -5.9985 3  280.0003648  59516140440 238 0    40 139 0      C-13-H3C(O)CH3
  328641.3356  0.0246 -4.6836 3  280.0003648  59516140440 238 0    40 239 0      C-13-H3C(O)CH3
  328641.3356  0.0246 -5.9985 3  280.0003648  59516140440 338 0    40 239 0      C-13-H3C(O)CH3
  328641.3356  0.0246 -4.6836 3  280.0003648  59516140440 338 0    40 139 0      C-13-H3C(O)CH3
  328649.2826  0.0110 -4.5683 3  183.2555424  595161404261610 2    2517 9 2      C-13-H3C(O)CH3
  328653.1114  0.1925 -6.2862 3 1068.5760460  5951614045755 2 4    5754 3 4      C-13-H3C(O)CH3
  328654.4606  0.1711 -6.3706 3 1594.2259B76  595161404735816 0    735717 0      C-13-H3C(O)CH3
  328654.4606  0.1711 -6.3706 3 1594.2259B76  595161404735815 0    735716 0      C-13-H3C(O)CH3
  328709.5446  0.1521 -6.2863 3 1068.5837460  5951614045755 2 3    5754 3 3      C-13-H3C(O)CH3
  328720.0899  0.0126 -4.7151 3  198.9272440 -595161404271710 1    2618 9 1      C-13-H3C(O)CH3
  328729.7618  0.0056 -6.2475 3  134.7682376  595161404231212 0    23 915 0      C-13-H3C(O)CH3
  328772.9072  0.0035 -4.5444 3   54.2114248  59516140415 9 7 1    14 6 8 1      C-13-H3C(O)CH3
  328773.2714  0.0037 -4.5445 3   54.2096248  59516140415 9 7 2    14 6 8 2      C-13-H3C(O)CH3
  328798.2499  0.0163 -6.2059 3  585.5506760  595161404472324 1    462621 1      C-13-H3C(O)CH3
  328805.5695  0.0135 -6.2059 3  585.5656760  595161404472324 0    462621 0      C-13-H3C(O)CH3
  328822.6905  0.0157 -5.0634 3  215.2655228  595161404281810 3    2719 9 3      C-13-H3C(O)CH3
  328838.7442  0.0197 -6.5052 3  585.5320380  595161404472324 3    462621 3      C-13-H3C(O)CH3
  328839.9116  0.0198 -6.5052 3  585.5319380  595161404472324 4    462621 4      C-13-H3C(O)CH3
  328840.8802  0.1312 -5.9441 3 1249.4559A16  5951614046356 7 2    6355 8 2      C-13-H3C(O)CH3
  328847.1529  0.0185 -6.2041 3  585.5470760  595161404472324 2    462621 2      C-13-H3C(O)CH3
  328850.9164  0.0219 -5.6876 3  392.9385584  5951614043630 7 1    3531 5 1      C-13-H3C(O)CH3
  328863.0361  0.0203 -5.6879 3  392.9684584  5951614043630 6 2    3531 4 2      C-13-H3C(O)CH3
  328886.4944  0.1398 -5.9440 3 1249.4454A16  5951614046356 8 0    6355 9 0      C-13-H3C(O)CH3
  328886.4944  0.1398 -5.9440 3 1249.4454A16  5951614046356 7 0    6355 8 0      C-13-H3C(O)CH3
  328890.9768  0.0227 -5.9897 3  392.9416292  5951614043630 6 4    3531 4 4      C-13-H3C(O)CH3
  328902.5466  0.1356 -6.2452 3 1249.4761508  5951614046356 7 4    6355 8 4      C-13-H3C(O)CH3
  328912.7444  0.1204 -6.2452 3 1249.4532508  5951614046356 8 3    6355 8 3      C-13-H3C(O)CH3
  328916.0053  0.0131 -6.4208 3  770.8938920  595161404571839 0    571840 0      C-13-H3C(O)CH3
  328916.0053  0.0131 -4.7836 3  770.8938920  595161404571839 0    571740 0      C-13-H3C(O)CH3
  328916.0053  0.0131 -6.4208 3  770.8938920  595161404571939 0    571740 0      C-13-H3C(O)CH3
  328916.0053  0.0131 -4.7836 3  770.8938920  595161404571939 0    571840 0      C-13-H3C(O)CH3
  328927.6216  0.0205 -5.6866 3  392.9548584  5951614043630 7 2    3531 5 2      C-13-H3C(O)CH3
  328948.5039  0.1222 -5.9440 3 1249.4658A16  5951614046356 7 1    6355 8 1      C-13-H3C(O)CH3
  328954.0659  0.0225 -5.9884 3  392.9281292  5951614043630 6 3    3531 4 3      C-13-H3C(O)CH3
  328957.7980  0.1153 -5.9440 3 1249.4427A16  5951614046356 8 1    6355 9 1      C-13-H3C(O)CH3
  328986.1570  0.0114 -4.7379 3  168.2329204  595161404251510 3    2416 9 3      C-13-H3C(O)CH3
  328993.9414  0.0153 -5.0202 3  770.8811920  595161404571939 1    571740 1      C-13-H3C(O)CH3
  328993.9414  0.0153 -5.1363 3  770.8811920  595161404571839 1    571740 1      C-13-H3C(O)CH3
  328993.9414  0.0153 -5.0202 3  770.8811920  595161404571839 1    571840 1      C-13-H3C(O)CH3
  328993.9414  0.0153 -5.1363 3  770.8811920  595161404571939 1    571840 1      C-13-H3C(O)CH3
  328995.2487  0.0164 -4.8007 3  770.8809920  595161404571939 2    571840 2      C-13-H3C(O)CH3
  328995.2487  0.0164 -4.8007 3  770.8809920  595161404571839 2    571740 2      C-13-H3C(O)CH3
  328995.2487  0.0164 -5.9883 3  770.8809920  595161404571839 2    571840 2      C-13-H3C(O)CH3
  328995.2487  0.0164 -5.9883 3  770.8809920  595161404571939 2    571740 2      C-13-H3C(O)CH3
  328997.5614  0.1218 -5.9439 3 1249.4306A16  5951614046356 8 2    6355 9 2      C-13-H3C(O)CH3
  329014.7093  0.0105 -4.4437 3  168.2369408  595161404251510 1    2416 9 1      C-13-H3C(O)CH3
  329019.0102  0.0037 -4.5438 3   54.1673248  59516140415 9 7 0    14 6 8 0      C-13-H3C(O)CH3
  329033.6994  0.0352 -5.9961 3  255.7659632  59516140439 138 0    39 039 0      C-13-H3C(O)CH3
  329033.6994  0.0352 -4.9453 3  255.7659632  59516140439 238 0    39 039 0      C-13-H3C(O)CH3
  329033.6994  0.0352 -5.9961 3  255.7659632  59516140439 238 0    39 139 0      C-13-H3C(O)CH3
  329033.6994  0.0352 -4.9453 3  255.7659632  59516140439 138 0    39 139 0      C-13-H3C(O)CH3
  329038.2674  0.0127 -4.8630 3  215.2736456  595161404281810 1    2719 9 1      C-13-H3C(O)CH3
  329059.7929  0.1245 -6.2449 3 1249.4509508  5951614046356 7 3    6355 9 3      C-13-H3C(O)CH3
  329069.1200  0.1360 -6.2449 3 1249.4279508  5951614046356 8 4    6355 9 4      C-13-H3C(O)CH3
  329071.3332  0.1477 -6.1019 3 1041.8758904  5951614045655 1 0    5654 2 0      C-13-H3C(O)CH3
  329071.3332  0.1477 -6.1019 3 1041.8758904  5951614045655 2 0    5654 3 0      C-13-H3C(O)CH3
  329073.2910  0.0153 -5.8566 3  770.8682460  595161404571939 3    571840 3      C-13-H3C(O)CH3
  329073.2910  0.0153 -5.1524 3  770.8682460  595161404571839 3    571840 3      C-13-H3C(O)CH3
  329073.2910  0.0153 -5.8566 3  770.8682460  595161404571839 3    571740 3      C-13-H3C(O)CH3
  329073.2910  0.0153 -5.1524 3  770.8682460  595161404571939 3    571740 3      C-13-H3C(O)CH3
  329073.4294  0.0154 -5.0743 3  770.8681460  595161404571839 4    571840 4      C-13-H3C(O)CH3
  329073.4294  0.0154 -5.0743 3  770.8681460  595161404571939 4    571740 4      C-13-H3C(O)CH3
  329085.8772  0.0202 -5.0692 3  198.9028220  595161404271710 4    2618 9 4      C-13-H3C(O)CH3
  329087.9027  0.1413 -6.1021 3 1041.9168904  5951614045655 2 1    5654 3 1      C-13-H3C(O)CH3
  329103.5178  0.0024 -4.1421 3  180.6897260  59516140432 330 3    31 229 3      C-13-H3C(O)CH3
  329103.5178  0.0024 -3.7018 3  180.6897260  59516140432 230 3    31 329 3      C-13-H3C(O)CH3
  329103.5413  0.0024 -6.1287 3  180.6898260  59516140432 230 4    31 329 4      C-13-H3C(O)CH3
  329103.5413  0.0024 -5.3134 3  180.6898260  59516140432 330 4    31 229 4      C-13-H3C(O)CH3
  329103.5964  0.0024 -4.9707 3  180.6897260 -59516140432 230 3    31 229 3      C-13-H3C(O)CH3
  329103.5964  0.0024 -3.6805 3  180.6898260 -59516140432 230 4    31 229 4      C-13-H3C(O)CH3
  329103.5964  0.0024 -3.8623 3  180.6897260 -59516140432 330 3    31 329 3      C-13-H3C(O)CH3
  329103.5964  0.0024 -3.6892 3  180.6898260 -59516140432 330 4    31 329 4      C-13-H3C(O)CH3
  329119.3241  0.0138 -4.8589 3  183.2444212  595161404261610 3    2517 9 3      C-13-H3C(O)CH3
  329134.6490  0.0026 -5.1874 3  180.6499520  59516140432 330 1    31 229 1      C-13-H3C(O)CH3
  329134.6490  0.0026 -3.3846 3  180.6499520  59516140432 230 1    31 229 1      C-13-H3C(O)CH3
  329134.7772  0.0026 -4.8852 3  180.6494520  59516140432 330 2    31 229 2      C-13-H3C(O)CH3
  329134.7772  0.0026 -4.8852 3  180.6494520  59516140432 230 2    31 329 2      C-13-H3C(O)CH3
  329134.7883  0.0026 -3.3916 3  180.6494520 -59516140432 230 2    31 229 2      C-13-H3C(O)CH3
  329134.7883  0.0026 -5.1874 3  180.6499520 -59516140432 230 1    31 329 1      C-13-H3C(O)CH3
  329134.7883  0.0026 -3.3846 3  180.6499520 -59516140432 330 1    31 329 1      C-13-H3C(O)CH3
  329134.7883  0.0026 -3.3916 3  180.6494520 -59516140432 330 2    31 329 2      C-13-H3C(O)CH3
  329165.8271  0.0022 -4.3846 3  180.6097520  59516140432 330 0    31 329 0      C-13-H3C(O)CH3
  329165.8271  0.0022 -4.3846 3  180.6097520  59516140432 230 0    31 229 0      C-13-H3C(O)CH3
  329165.8699  0.0022 -3.4227 3  180.6097520 -59516140432 230 0    31 329 0      C-13-H3C(O)CH3
  329165.8699  0.0022 -3.4227 3  180.6097520 -59516140432 330 0    31 229 0      C-13-H3C(O)CH3
  329172.7180  0.0226 -5.9883 3  392.9088292  5951614043630 7 3    3531 5 3      C-13-H3C(O)CH3
  329177.5555  0.1458 -6.4194 3 1415.6283548  595161404685711 4    685612 4      C-13-H3C(O)CH3
  329188.4285  0.0118 -4.5782 3  183.2506424 -595161404261610 1    2517 9 1      C-13-H3C(O)CH3
  329213.0229  0.0158 -4.7537 3  168.2256204  595161404251510 4    2416 9 4      C-13-H3C(O)CH3
  329236.1321  0.0254 -5.9871 3  392.8951292  5951614043630 7 4    3531 5 4      C-13-H3C(O)CH3
  329254.2709  0.1527 -6.1182 3 1415.6225A96  595161404685711 2    685612 2      C-13-H3C(O)CH3
  329299.4723  0.1494 -6.4192 3 1415.5947548  595161404685711 3    685612 3      C-13-H3C(O)CH3
  329321.6859  0.1606 -6.1016 3 1041.9293904  5951614045655 1 1    5654 2 1      C-13-H3C(O)CH3
  329330.1238  0.1480 -6.4191 3 1415.5868548  595161404685712 3    685613 3      C-13-H3C(O)CH3
  329345.0227  0.1404 -6.1181 3 1415.6206A96  595161404685711 1    685612 1      C-13-H3C(O)CH3
  329369.8745  0.1810 -6.1014 3 1041.9027904  5951614045655 2 2    5654 3 2      C-13-H3C(O)CH3
  329382.8058  0.1443 -6.1016 3 1041.9167904  5951614045655 1 2    5654 2 2      C-13-H3C(O)CH3
  329387.6086  0.1737 -6.4027 3 1041.9437452  5951614045655 2 3    5654 3 3      C-13-H3C(O)CH3
  329400.4045  0.1582 -6.4028 3 1041.9578452  5951614045655 2 4    5654 2 4      C-13-H3C(O)CH3
  329406.5491  0.1472 -6.1179 3 1415.5810A96  595161404685712 2    685613 2      C-13-H3C(O)CH3
  329421.1192  0.1601 -6.1179 3 1415.6148A96  595161404685711 0    685612 0      C-13-H3C(O)CH3
  329421.1192  0.1601 -6.1179 3 1415.6148A96  595161404685712 0    685613 0      C-13-H3C(O)CH3
  329421.3294  0.0209 -5.2238 3  215.2457228  595161404281810 4    2719 9 4      C-13-H3C(O)CH3
  329451.4917  0.1723 -6.4189 3 1415.5532548  595161404685712 4    685613 4      C-13-H3C(O)CH3
  329466.2688  0.1383 -6.1178 3 1415.5870A96  595161404685712 1    685613 1      C-13-H3C(O)CH3
  329478.1565  0.0183 -4.9070 3  183.2323212  595161404261610 4    2517 9 4      C-13-H3C(O)CH3
  329566.6612  0.0043 -4.0691 3   86.9760148  5951614041813 5 3    1712 6 3      C-13-H3C(O)CH3
  329576.1887  0.1017 -6.2502 3 1462.8753604  595161404753541 4    753442 4      C-13-H3C(O)CH3
  329576.1887  0.1017 -6.2502 3 1462.8753604  595161404753441 4    753342 4      C-13-H3C(O)CH3
  329576.2255  0.1017 -6.2502 3 1462.8753604  595161404753441 3    753342 3      C-13-H3C(O)CH3
  329576.2256  0.1017 -6.2502 3 1462.8753604  595161404753541 3    753442 3      C-13-H3C(O)CH3
  329597.9622  0.0119 -6.0409 3  736.6836904  595161404561739 0    561640 0      C-13-H3C(O)CH3
  329597.9622  0.0119 -4.7452 3  736.6836904  595161404561839 0    561640 0      C-13-H3C(O)CH3
  329597.9622  0.0119 -4.7253 3  736.6836904  595161404561839 0    561740 0      C-13-H3C(O)CH3
  329604.1837  0.1087 -5.9491 3 1462.8576C08  595161404753541 1    753442 1      C-13-H3C(O)CH3
  329604.1837  0.1087 -5.9491 3 1462.8576C08  595161404753441 1    753342 1      C-13-H3C(O)CH3
  329606.9433  0.1050 -5.9496 3 1462.8605C08  595161404753441 2    753342 2      C-13-H3C(O)CH3
  329606.9434  0.1050 -5.9496 3 1462.8605C08  595161404753541 2    753442 2      C-13-H3C(O)CH3
  329622.8302  0.2145 -6.4022 3 1041.9562452  5951614045655 1 4    5654 3 4      C-13-H3C(O)CH3
  329634.8900  0.1101 -5.9490 3 1462.8428C08  595161404753441 0    753342 0      C-13-H3C(O)CH3
  329634.8901  0.1101 -5.9490 3 1462.8428C08  595161404753541 0    753442 0      C-13-H3C(O)CH3
  329635.5503  0.1662 -6.4024 3 1041.9703452  5951614045655 1 3    5654 2 3      C-13-H3C(O)CH3
  329650.4684  0.0194 -5.4903 3  250.0063244  595161404302011 4    2921 8 4      C-13-H3C(O)CH3
  329676.0018  0.0140 -4.7235 3  736.6670904  595161404561739 1    561640 1      C-13-H3C(O)CH3
  329676.0018  0.0140 -4.7235 3  736.6670904  595161404561839 1    561740 1      C-13-H3C(O)CH3
  329676.8573  0.0146 -4.7699 3  736.6667904  595161404561739 2    561740 2      C-13-H3C(O)CH3
  329676.8573  0.0146 -5.7177 3  736.6667904  595161404561739 2    561640 2      C-13-H3C(O)CH3
  329676.8573  0.0146 -5.7177 3  736.6667904  595161404561839 2    561740 2      C-13-H3C(O)CH3
  329676.8573  0.0146 -4.7699 3  736.6667904  595161404561839 2    561640 2      C-13-H3C(O)CH3
  329679.2536  0.0169 -5.3800 3  232.3194236  595161404291910 4    2820 8 4      C-13-H3C(O)CH3
  329695.8401  0.0354 -5.6506 3 1133.6570A80  595161404672740 0    672741 0      C-13-H3C(O)CH3
  329695.8401  0.0354 -5.6436 3 1133.6570A80  595161404672840 0    672641 0      C-13-H3C(O)CH3
  329695.8401  0.0354 -5.6805 3 1133.6570A80  595161404672840 0    672741 0      C-13-H3C(O)CH3
  329695.8401  0.0354 -5.6730 3 1133.6570A80  595161404672740 0    672641 0      C-13-H3C(O)CH3
  329708.9626  0.0369 -5.4088 3 1133.6734A80  595161404672740 1    672741 1      C-13-H3C(O)CH3
  329708.9626  0.0369 -5.3693 3 1133.6734A80  595161404672740 1    672641 1      C-13-H3C(O)CH3
  329708.9626  0.0369 -6.5114 3 1133.6734A80  595161404672840 1    672741 1      C-13-H3C(O)CH3
  329713.6376  0.0426 -6.1743 3 1133.6747A80  595161404672740 2    672741 2      C-13-H3C(O)CH3
  329713.6376  0.0426 -5.3662 3 1133.6747A80  595161404672840 2    672641 2      C-13-H3C(O)CH3
  329713.6376  0.0426 -5.4330 3 1133.6747A80  595161404672740 2    672641 2      C-13-H3C(O)CH3
  329726.8179  0.0421 -5.6694 3 1133.6911540  595161404672840 3    672741 3      C-13-H3C(O)CH3
  329726.8179  0.0421 -5.6694 3 1133.6911540  595161404672740 3    672641 3      C-13-H3C(O)CH3
  329726.8910  0.0421 -5.6627 3 1133.6911540  595161404672840 4    672741 4      C-13-H3C(O)CH3
  329726.8910  0.0421 -5.6627 3 1133.6911540  595161404672740 4    672641 4      C-13-H3C(O)CH3
  329751.2094  0.0126 -5.2786 3  232.3304472  595161404291910 2    2820 8 2      C-13-H3C(O)CH3
  329755.0022  0.0143 -6.5643 3  736.6501452  595161404561739 3    561740 3      C-13-H3C(O)CH3
  329755.0022  0.0143 -5.0388 3  736.6501452  595161404561839 3    561740 3      C-13-H3C(O)CH3
  329755.0022  0.0143 -6.5052 3  736.6501452  595161404561839 3    561640 3      C-13-H3C(O)CH3
  329755.0022  0.0143 -5.0369 3  736.6501452  595161404561739 3    561640 3      C-13-H3C(O)CH3
  329755.1218  0.0143 -5.5641 3  736.6501452  595161404561739 4    561740 4      C-13-H3C(O)CH3
  329755.1218  0.0143 -5.5641 3  736.6501452  595161404561839 4    561640 4      C-13-H3C(O)CH3
  329755.1218  0.0143 -5.1720 3  736.6501452  595161404561839 4    561740 4      C-13-H3C(O)CH3
  329755.1218  0.0143 -5.1720 3  736.6501452  595161404561739 4    561640 4      C-13-H3C(O)CH3
  329841.8528  0.0133 -5.0457 3  250.0231488  595161404302011 2    2921 8 2      C-13-H3C(O)CH3
  329843.2823  0.0124 -5.1470 3  250.0198488  595161404302011 1    2921 8 1      C-13-H3C(O)CH3
  329883.6174  0.1561 -6.3442 3 1015.7839888  5951614045555 1 1    5554 2 1      C-13-H3C(O)CH3
  329892.5784  0.1647 -6.3440 3 1015.7365888  5951614045555 1 0    5554 2 0      C-13-H3C(O)CH3
  329892.5784  0.1647 -6.3440 3 1015.7365888  5951614045555 0 0    5554 1 0      C-13-H3C(O)CH3
  329904.1221  0.0115 -5.1411 3  232.3292472  595161404291910 1    2820 8 1      C-13-H3C(O)CH3
  329906.1507  0.3529 -6.8296 3 1871.8317C88  595161404806020 1    805921 1      C-13-H3C(O)CH3
  329913.7352  0.0023 -3.7477 3   86.9410296 -5951614041813 5 0    1712 6 0      C-13-H3C(O)CH3
  329926.7166  0.0202 -6.2333 3  311.9972536  595161404332410 1    332112 1      C-13-H3C(O)CH3
  329968.1677  0.0072 -4.8235 3  250.0381488  595161404302011 0    2921 8 0      C-13-H3C(O)CH3
  329982.5599  0.0293 -6.5175 3  311.9733268  595161404332410 3    332112 3      C-13-H3C(O)CH3
  330002.9953  0.0172 -6.3864 3  659.8760808  595161404502426 0    492723 0      C-13-H3C(O)CH3
  330015.3269  0.0205 -6.3860 3  659.8659808  595161404502426 1    492723 1      C-13-H3C(O)CH3
  330031.9029  0.3894 -6.8294 3 1871.8311C88  595161404806020 2    805921 2      C-13-H3C(O)CH3
  330049.2083  0.0244 -6.3846 3  659.8636808  595161404502426 2    492723 2      C-13-H3C(O)CH3
  330060.4402  0.1402 -5.9357 3 1219.8704A00  5951614046256 6 0    6255 7 0      C-13-H3C(O)CH3
  330060.4402  0.1402 -5.9357 3 1219.8704A00  5951614046256 7 0    6255 8 0      C-13-H3C(O)CH3
  330061.1174  0.0262 -6.6852 3  659.8535404  595161404502426 3    492723 3      C-13-H3C(O)CH3
  330061.4701  0.0263 -6.6852 3  659.8535404  595161404502426 4    492723 4      C-13-H3C(O)CH3
  330062.8001  0.1362 -5.9358 3 1219.8816A00  5951614046256 6 2    6255 7 2      C-13-H3C(O)CH3
  330080.9877  0.3172 -6.8291 3 1871.7891C88  595161404806021 1    805922 1      C-13-H3C(O)CH3
  330092.0223  0.2748 -6.8291 3 1871.8002C88  595161404806021 2    805922 2      C-13-H3C(O)CH3
  330119.0566  0.0310 -6.6255 3  311.9726268  595161404332410 4    332112 4      C-13-H3C(O)CH3
  330130.0448  0.1176 -5.9358 3 1219.8740A00  5951614046256 7 1    6255 8 1      C-13-H3C(O)CH3
  330133.1405  0.1261 -6.2368 3 1219.8852500  5951614046256 7 3    6255 8 3      C-13-H3C(O)CH3
  330138.9627  0.0175 -5.3667 3  249.9911244  595161404302011 3    2921 8 3      C-13-H3C(O)CH3
  330140.3866  0.2117 -6.6227 3 1559.6798580  595161404725814 4    725715 4      C-13-H3C(O)CH3
  330148.9932  0.0192 -6.0736 3  311.9972536  5951614043324 9 1    332112 1      C-13-H3C(O)CH3
  330151.5961  0.0082 -4.7674 3  232.3346472  595161404291910 0    2820 9 0      C-13-H3C(O)CH3
  330157.3699  0.1259 -5.9357 3 1219.8949A00  5951614046256 6 1    6255 7 1      C-13-H3C(O)CH3
  330159.6714  0.1459 -6.2367 3 1219.9060500  5951614046256 6 4    6255 7 4      C-13-H3C(O)CH3
  330164.9856  0.1806 -6.3437 3 1015.7971888  5951614045555 0 1    5554 1 1      C-13-H3C(O)CH3
  330182.6121  0.2989 -6.8291 3 1871.8383C88  595161404806021 0    805922 0      C-13-H3C(O)CH3
  330182.6121  0.2989 -6.8291 3 1871.8383C88  595161404806020 0    805921 0      C-13-H3C(O)CH3
  330204.8021  0.0029 -4.0654 3  183.0059268  59516140433 232 3    32 231 3      C-13-H3C(O)CH3
  330204.8021  0.0029 -3.8589 3  183.0059268  59516140433 132 3    32 231 3      C-13-H3C(O)CH3
  330204.8209  0.0029 -4.9301 3  183.0059268  59516140433 232 4    32 131 4      C-13-H3C(O)CH3
  330204.8209  0.0029 -4.9301 3  183.0059268  59516140433 132 4    32 231 4      C-13-H3C(O)CH3
  330204.8516  0.0029 -3.6723 3  183.0059268 -59516140433 232 4    32 231 4      C-13-H3C(O)CH3
  330204.8516  0.0029 -3.8589 3  183.0059268 -59516140433 232 3    32 131 3      C-13-H3C(O)CH3
  330204.8516  0.0029 -3.6723 3  183.0059268 -59516140433 132 4    32 131 4      C-13-H3C(O)CH3
  330204.8516  0.0029 -4.0654 3  183.0059268 -59516140433 132 3    32 131 3      C-13-H3C(O)CH3
  330208.7420  0.1223 -5.9356 3 1219.8620A00  5951614046256 7 2    6255 8 2      C-13-H3C(O)CH3
  330218.2763  0.0151 -5.6504 3  232.3008236  595161404291910 3    2820 8 3      C-13-H3C(O)CH3
  330218.5359  0.1698 -6.6449 3 1015.8371444  5951614045555 1 4    5554 1 4      C-13-H3C(O)CH3
  330224.7235  0.0031 -5.1337 3  182.9534536  59516140433 232 1    32 131 1      C-13-H3C(O)CH3
  330224.7235  0.0031 -3.3550 3  182.9534536  59516140433 132 1    32 131 1      C-13-H3C(O)CH3
  330224.8235  0.0030 -5.3205 3  182.9530536  59516140433 232 2    32 231 2      C-13-H3C(O)CH3
  330224.8235  0.0030 -5.3205 3  182.9530536  59516140433 132 2    32 131 2      C-13-H3C(O)CH3
  330224.8287  0.0030 -3.3525 3  182.9530536 -59516140433 132 2    32 231 2      C-13-H3C(O)CH3
  330224.8287  0.0031 -3.3550 3  182.9534536 -59516140433 232 1    32 231 1      C-13-H3C(O)CH3
  330224.8287  0.0030 -3.3525 3  182.9530536 -59516140433 232 2    32 131 2      C-13-H3C(O)CH3
  330224.8287  0.0031 -5.1337 3  182.9534536 -59516140433 132 1    32 231 1      C-13-H3C(O)CH3
  330226.4053  0.1595 -6.3437 3 1015.7897888  5951614045555 0 2    5554 1 2      C-13-H3C(O)CH3
  330227.3908  0.0275 -6.3222 3  311.9726268  5951614043324 9 4    332112 4      C-13-H3C(O)CH3
  330244.6886  0.0026 -4.2306 3  182.9006536  59516140433 132 0    32 131 0      C-13-H3C(O)CH3
  330244.6886  0.0026 -4.2306 3  182.9006536  59516140433 232 0    32 231 0      C-13-H3C(O)CH3
  330244.7142  0.0026 -3.4086 3  182.9006536 -59516140433 132 0    32 231 0      C-13-H3C(O)CH3
  330244.7142  0.0026 -3.4086 3  182.9006536 -59516140433 232 0    32 131 0      C-13-H3C(O)CH3
  330248.4162  0.0107 -6.3561 3  703.0534888  595161404551639 0    551640 0      C-13-H3C(O)CH3
  330248.4162  0.0107 -4.6858 3  703.0534888  595161404551639 0    551540 0      C-13-H3C(O)CH3
  330248.4162  0.0107 -4.6858 3  703.0534888  595161404551739 0    551640 0      C-13-H3C(O)CH3
  330248.4162  0.0107 -6.3561 3  703.0534888  595161404551739 0    551540 0      C-13-H3C(O)CH3
  330257.0590  0.1928 -6.6447 3 1015.8169444  5951614045555 1 3    5554 2 3      C-13-H3C(O)CH3
  330257.8174  0.0218 -6.9109 3  291.8170520  595161404322310 1    3124 7 1      C-13-H3C(O)CH3
  330263.7204  0.1890 -6.6224 3 1559.6351580  595161404725815 3    725716 3      C-13-H3C(O)CH3
  330265.0136  0.2049 -6.3434 3 1015.7695888  5951614045555 1 2    5554 2 2      C-13-H3C(O)CH3
  330278.7195  0.1370 -6.2366 3 1219.8655500  5951614046256 7 4    6255 8 4      C-13-H3C(O)CH3
  330306.1635  0.1284 -6.2365 3 1219.8864500  5951614046256 6 3    6255 7 3      C-13-H3C(O)CH3
  330306.7868  0.2028 -6.3214 3 1559.6816B60  595161404725814 2    725715 2      C-13-H3C(O)CH3
  330312.4811  0.2144 -6.6224 3 1559.6401580  595161404725814 3    725715 3      C-13-H3C(O)CH3
  330314.5513  0.0130 -5.2192 3  250.0074488  595161404302011 2    2921 9 2      C-13-H3C(O)CH3
  330323.1452  0.0289 -6.3883 3  311.9733268  5951614043324 9 3    332112 3      C-13-H3C(O)CH3
  330323.7875  0.0128 -5.0413 3  703.0332888  595161404551639 1    551540 1      C-13-H3C(O)CH3
  330323.7875  0.0128 -5.0413 3  703.0332888  595161404551739 1    551640 1      C-13-H3C(O)CH3
  330323.7875  0.0128 -4.9217 3  703.0332888  595161404551739 1    551540 1      C-13-H3C(O)CH3
  330323.7875  0.0128 -4.9217 3  703.0332888  595161404551639 1    551640 1      C-13-H3C(O)CH3
  330324.2197  0.0131 -5.2079 3  703.0328888  595161404551639 2    551640 2      C-13-H3C(O)CH3
  330324.2197  0.0131 -4.8276 3  703.0328888  595161404551639 2    551540 2      C-13-H3C(O)CH3
  330324.2197  0.0131 -5.2079 3  703.0328888  595161404551739 2    551540 2      C-13-H3C(O)CH3
  330324.2197  0.0131 -4.8276 3  703.0328888  595161404551739 2    551640 2      C-13-H3C(O)CH3
  330326.4413  0.1885 -6.7462 3 1730.6452652  595161404813942 4    813843 4      C-13-H3C(O)CH3
  330326.4439  0.1885 -6.7462 3 1730.6452652  595161404814042 4    813943 4      C-13-H3C(O)CH3
  330326.5155  0.1885 -6.7462 3 1730.6452652  595161404813942 3    813843 3      C-13-H3C(O)CH3
  330326.5182  0.1885 -6.7462 3 1730.6452652  595161404814042 3    813943 3      C-13-H3C(O)CH3
  330329.7799  0.0109 -5.0336 3  291.8511520  595161404322310 0    3124 7 0      C-13-H3C(O)CH3
  330338.7077  0.1775 -6.3213 3 1559.6752B60  595161404725814 1    725715 1      C-13-H3C(O)CH3
  330354.3640  0.0143 -6.2013 3  585.5142760  595161404472424 0    462521 0      C-13-H3C(O)CH3
  330358.9590  0.1988 -6.4454 3 1730.6416D04  595161404813942 2    813843 2      C-13-H3C(O)CH3
  330358.9610  0.1988 -6.4454 3 1730.6416D04  595161404814042 2    813943 2      C-13-H3C(O)CH3
  330359.5679  0.2124 -6.4451 3 1730.6385D04  595161404813942 1    813843 1      C-13-H3C(O)CH3
  330359.5708  0.2124 -6.4451 3 1730.6385D04  595161404814042 1    813943 1      C-13-H3C(O)CH3
  330363.1821  0.0172 -5.3253 3  291.8295520  595161404322310 2    3124 7 2      C-13-H3C(O)CH3
  330363.3282  0.0174 -6.3854 3  659.8640808  595161404502526 0    492623 0      C-13-H3C(O)CH3
  330373.2036  0.3229 -6.8616 3 1711.7340612  595161404765917 4    765818 4      C-13-H3C(O)CH3
  330386.1842  0.0161 -6.2011 3  585.4979760  595161404472424 1    462521 1      C-13-H3C(O)CH3
  330390.0791  0.0132 -4.9263 3  232.3091472  595161404291910 2    2820 9 2      C-13-H3C(O)CH3
  330390.2292  0.0202 -6.3849 3  659.8535808  595161404502526 1    492623 1      C-13-H3C(O)CH3
  330391.9460  0.2147 -6.4450 3 1730.6349D04  595161404813942 0    813843 0      C-13-H3C(O)CH3
  330391.9483  0.2147 -6.4450 3 1730.6349D04  595161404814042 0    813943 0      C-13-H3C(O)CH3
  330399.6929  0.0134 -5.3718 3  703.0126444  595161404551739 3    551540 3      C-13-H3C(O)CH3
  330399.6929  0.0134 -5.2010 3  703.0126444  595161404551739 3    551640 3      C-13-H3C(O)CH3
  330399.6929  0.0134 -5.2010 3  703.0126444  595161404551639 3    551540 3      C-13-H3C(O)CH3
  330399.6929  0.0134 -5.3718 3  703.0126444  595161404551639 3    551640 3      C-13-H3C(O)CH3
  330399.7851  0.0134 -5.3284 3  703.0125444  595161404551639 4    551540 4      C-13-H3C(O)CH3
  330399.7851  0.0134 -5.2330 3  703.0125444  595161404551739 4    551540 4      C-13-H3C(O)CH3
  330399.7851  0.0134 -5.1665 3  703.0125444  595161404551739 4    551640 4      C-13-H3C(O)CH3
  330399.7851  0.0134 -5.4287 3  703.0125444  595161404551639 4    551640 4      C-13-H3C(O)CH3
  330417.9110  0.0094 -4.0394 3   86.9514296  5951614041813 5 2    1712 6 2      C-13-H3C(O)CH3
  330419.4514  0.0109 -5.0333 3  291.8511520  5951614043223 9 0    3124 8 0      C-13-H3C(O)CH3
  330427.5344  0.0171 -5.4635 3  364.5818568  5951614043528 8 0    3429 5 0      C-13-H3C(O)CH3
  330427.5568  0.0171 -5.4635 3  364.5818568  5951614043528 7 0    3429 6 0      C-13-H3C(O)CH3
  330429.1888  0.0263 -6.3834 3  659.8510808  595161404502526 2    492623 2      C-13-H3C(O)CH3
  330430.0343  0.1720 -6.3211 3 1559.6369B60  595161404725815 2    725716 2      C-13-H3C(O)CH3
  330435.5236  0.2150 -6.6221 3 1559.5954580  595161404725815 4    725716 4      C-13-H3C(O)CH3
  330442.8468  0.0227 -6.6824 3   89.3309148  5951614041814 5 4    1713 4 4      C-13-H3C(O)CH3
  330451.7208  0.0175 -5.3420 3  291.8295520  5951614043223 9 2    3124 7 2      C-13-H3C(O)CH3
  330456.1106  0.0281 -6.6840 3  659.8404404  595161404502526 4    492623 4      C-13-H3C(O)CH3
  330456.5715  0.0280 -6.6840 3  659.8404404  595161404502526 3    492623 3      C-13-H3C(O)CH3
  330460.8561  0.2514 -6.8613 3 1711.6934612  595161404765918 3    765818 3      C-13-H3C(O)CH3
  330461.2811  0.0228 -6.1992 3  585.4933760  595161404472424 2    462521 2      C-13-H3C(O)CH3
  330475.6118  0.0016 -4.0701 3  145.7423196 -595161404241113 3    231212 3      C-13-H3C(O)CH3
  330476.1225  0.0017 -4.0701 3  145.7423196 -595161404241113 4    231212 4      C-13-H3C(O)CH3
  330492.6146  0.0242 -6.5001 3  585.4770380  595161404472424 4    462521 4      C-13-H3C(O)CH3
  330494.1159  0.0241 -6.5001 3  585.4770380  595161404472424 3    462521 3      C-13-H3C(O)CH3
  330501.6144  0.1813 -6.6444 3 1015.8503444  5951614045555 0 3    5554 1 3      C-13-H3C(O)CH3
  330504.7271  0.1746 -6.3210 3 1559.6770B60  595161404725814 0    725715 0      C-13-H3C(O)CH3
  330504.7271  0.1746 -6.3210 3 1559.6770B60  595161404725815 0    725716 0      C-13-H3C(O)CH3
  330510.5008  0.1743 -6.3210 3 1559.6355B60  595161404725815 1    725716 1      C-13-H3C(O)CH3
  330537.2982  0.0161 -5.8459 3  312.0134536  5951614043324 9 0    332112 0      C-13-H3C(O)CH3
  330540.8270  0.2395 -6.6442 3 1015.8301444  5951614045555 0 4    5554 2 4      C-13-H3C(O)CH3
  330542.0489  0.0144 -5.4904 3  249.9776244  595161404302011 3    2921 9 3      C-13-H3C(O)CH3
  330549.8119  0.0171 -5.4639 3  364.5457568  5951614043528 7 1    3429 5 1      C-13-H3C(O)CH3
  330561.2926  0.2420 -6.5602 3 1711.7341C24  595161404765917 1    765818 1      C-13-H3C(O)CH3
  330562.9832  0.3064 -6.8612 3 1711.6911612  595161404765917 3    765819 3      C-13-H3C(O)CH3
  330565.4693  0.0023 -6.2801 3   94.5674156  5951614041912 7 4    1811 7 4      C-13-H3C(O)CH3
  330566.4079  0.0018 -3.7691 3  145.7396392 -595161404241113 1    231212 1      C-13-H3C(O)CH3
  330572.1065  0.0018 -3.7695 3  145.7361392 -595161404241113 2    231212 2      C-13-H3C(O)CH3
  330586.7908  0.0221 -6.3126 3  311.9892536  595161404332410 2    332112 2      C-13-H3C(O)CH3
  330587.7856  0.0596 -5.9639 3  585.4770372  595161404462818 3    462521 3      C-13-H3C(O)CH3
  330589.4281  0.0433 -6.2762 3  438.0537324  595161404402317 3    392614 3      C-13-H3C(O)CH3
  330608.6003  0.2817 -6.5601 3 1711.7399C24  595161404765917 2    765818 2      C-13-H3C(O)CH3
  330610.5638  0.0565 -5.9641 3  585.4770372  595161404462818 4    462521 4      C-13-H3C(O)CH3
  330614.8391  0.0097 -4.1093 3   86.9468296  5951614041813 5 1    1712 6 1      C-13-H3C(O)CH3
  330630.2665  0.0185 -5.3421 3  291.8206520  595161404322310 2    3124 8 2      C-13-H3C(O)CH3
  330650.5973  0.2590 -6.8609 3 1711.6505612  595161404765918 4    765819 4      C-13-H3C(O)CH3
  330651.9046  0.1286 -5.7739 3  812.1906872  595161404543420 0    543123 0      C-13-H3C(O)CH3
  330655.4185  0.0108 -5.0390 3  291.8037520  595161404322310 1    3124 8 1      C-13-H3C(O)CH3
  330656.3664  0.0108 -5.0382 3  291.8170520  5951614043223 9 1    3124 7 1      C-13-H3C(O)CH3
  330662.3958  0.0017 -3.7695 3  145.7334392 -595161404241113 0    231212 0      C-13-H3C(O)CH3
  330686.5953  0.0119 -5.3395 3  291.7820260  595161404322310 3    3124 8 3      C-13-H3C(O)CH3
  330690.2784  0.0138 -5.3382 3  291.7952260  5951614043223 9 4    3124 7 4      C-13-H3C(O)CH3
  330696.2564  0.2066 -6.5599 3 1711.6992C24  595161404765918 2    765819 2      C-13-H3C(O)CH3
  330696.2899  0.0101 -5.1016 3  249.9914488  595161404302011 1    2921 9 1      C-13-H3C(O)CH3
  330711.9685  0.0238 -6.0288 3  311.9892536  5951614043324 9 2    332112 2      C-13-H3C(O)CH3
  330713.6524  0.0026 -6.4762 3   94.5422312  5951614041912 7 1    1811 7 1      C-13-H3C(O)CH3
  330714.3112  0.1382 -6.3853 3 1383.5808540  595161404675710 4    675611 4      C-13-H3C(O)CH3
  330718.8052  0.0182 -5.3249 3  291.8206520  5951614043223 9 2    3124 8 2      C-13-H3C(O)CH3
  330719.5016  0.0166 -5.4620 3  364.5458568  5951614043528 8 2    3429 6 2      C-13-H3C(O)CH3
  330719.5927  0.0168 -5.1976 3  232.2841236  595161404291910 3    2820 9 3      C-13-H3C(O)CH3
  330721.0799  0.0548 -5.6649 3  585.4933744  595161404462818 2    462521 2      C-13-H3C(O)CH3
  330733.5968  0.0028 -6.6796 3   94.5337312  5951614041912 7 2    1811 7 2      C-13-H3C(O)CH3
  330741.9219  0.0308 -5.3417 3 1093.6743A64  595161404662740 0    662541 0      C-13-H3C(O)CH3
  330741.9219  0.0308 -6.2421 3 1093.6743A64  595161404662740 0    662641 0      C-13-H3C(O)CH3
  330741.9219  0.0308 -5.3417 3 1093.6743A64  595161404662640 0    662641 0      C-13-H3C(O)CH3
  330741.9219  0.0308 -6.2421 3 1093.6743A64  595161404662640 0    662541 0      C-13-H3C(O)CH3
  330751.0620  0.2299 -6.5598 3 1711.6912C24  595161404765918 1    765819 1      C-13-H3C(O)CH3
  330751.8239  0.0175 -5.4627 3  364.5270568  5951614043528 8 1    3429 6 1      C-13-H3C(O)CH3
  330755.2870  0.1483 -6.0841 3 1383.5731A80  595161404675710 2    675611 2      C-13-H3C(O)CH3
  330763.8532  0.0329 -5.3668 3 1093.6892A64  595161404662740 1    662541 1      C-13-H3C(O)CH3
  330763.8532  0.0329 -5.3668 3 1093.6892A64  595161404662640 1    662641 1      C-13-H3C(O)CH3
  330763.8532  0.0329 -6.0813 3 1093.6892A64  595161404662740 1    662641 1      C-13-H3C(O)CH3
  330763.8532  0.0329 -6.0813 3 1093.6892A64  595161404662640 1    662541 1      C-13-H3C(O)CH3
  330768.4108  0.0386 -5.3069 3 1093.6902A64  595161404662740 2    662641 2      C-13-H3C(O)CH3
  330768.4108  0.0386 -6.7127 3 1093.6902A64  595161404662640 2    662641 2      C-13-H3C(O)CH3
  330768.4108  0.0386 -5.3069 3 1093.6902A64  595161404662640 2    662541 2      C-13-H3C(O)CH3
  330768.4108  0.0386 -6.7127 3 1093.6902A64  595161404662740 2    662541 2      C-13-H3C(O)CH3
  330786.7770  0.0172 -5.4628 3  364.5511568  5951614043528 7 2    3429 5 2      C-13-H3C(O)CH3
  330790.4078  0.0374 -5.6106 3 1093.7051532  595161404662740 3    662641 3      C-13-H3C(O)CH3
  330790.4078  0.0374 -5.6106 3 1093.7051532  595161404662640 3    662541 3      C-13-H3C(O)CH3
  330790.4980  0.0375 -5.5911 3 1093.7051532  595161404662740 4    662541 4      C-13-H3C(O)CH3
  330790.4980  0.0375 -5.5911 3 1093.7051532  595161404662640 4    662641 4      C-13-H3C(O)CH3
  330793.5768  0.0089 -5.0716 3  228.9764236  595161404291812 4    2819 9 4      C-13-H3C(O)CH3
  330796.5770  0.2044 -6.5598 3 1711.7400C24  595161404765917 0    765818 0      C-13-H3C(O)CH3
  330796.5770  0.2044 -6.5598 3 1711.7400C24  595161404765918 0    765819 0      C-13-H3C(O)CH3
  330813.7283  0.1392 -6.3851 3 1383.5500540  595161404675710 3    675611 3      C-13-H3C(O)CH3
  330820.2691  0.0378 -5.9944 3  438.0684648  595161404402317 2    392614 2      C-13-H3C(O)CH3
  330838.7245  0.0185 -5.7634 3  364.5096284  5951614043528 7 3    3429 5 3      C-13-H3C(O)CH3
  330844.7632  0.0051 -4.7355 3  228.9890472  595161404291812 2    2819 9 2      C-13-H3C(O)CH3
  330845.3297  0.0017 -3.9883 3  153.1542204 -595161404251015 3    241114 3      C-13-H3C(O)CH3
  330845.3297  0.0017 -3.9883 3  153.1543204 -595161404251015 4    241114 4      C-13-H3C(O)CH3
  330848.1751  0.0392 -6.3226 3  438.0453324  595161404402317 4    392614 4      C-13-H3C(O)CH3
  330852.7384  0.0017 -3.9883 3  153.1541204 -595161404251115 4    241014 4      C-13-H3C(O)CH3
  330852.7384  0.0017 -3.9883 3  153.1540204 -595161404251115 3    241014 3      C-13-H3C(O)CH3
  330857.3119  0.1381 -6.0840 3 1383.5739A80  595161404675710 1    675611 1      C-13-H3C(O)CH3
  330869.5537  0.0095 -4.6339 3  670.0041872  595161404541639 0    541440 0      C-13-H3C(O)CH3
  330869.5537  0.0095 -4.6339 3  670.0041872  595161404541539 0    541540 0      C-13-H3C(O)CH3
  330873.1768  0.0016 -4.0688 3  145.7318196 -595161404241213 4    231112 4      C-13-H3C(O)CH3
  330874.7705  0.0016 -4.0688 3  145.7317196 -595161404241213 3    231112 3      C-13-H3C(O)CH3
  330875.0522  0.1430 -6.3850 3 1383.5426540  595161404675711 3    675612 3      C-13-H3C(O)CH3
  330897.6686  0.1643 -6.0839 3 1383.5662A80  595161404675711 0    675612 0      C-13-H3C(O)CH3
  330897.6686  0.1643 -6.0839 3 1383.5662A80  595161404675710 0    675611 0      C-13-H3C(O)CH3
  330906.2530  0.0044 -4.7309 3  229.0049472  595161404291812 0    2819 9 0      C-13-H3C(O)CH3
  330906.8473  0.0198 -5.7643 3  364.5150284  5951614043528 7 4    3429 5 4      C-13-H3C(O)CH3
  330915.6626  0.1461 -6.0839 3 1383.5349A80  595161404675711 2    675612 2      C-13-H3C(O)CH3
  330924.8233  0.0019 -3.6873 3  153.1524408 -595161404251015 1    241114 1      C-13-H3C(O)CH3
  330930.4221  0.0019 -3.6874 3  153.1498408 -595161404251015 2    241114 2      C-13-H3C(O)CH3
  330932.1392  0.0019 -3.6872 3  153.1522408 -595161404251115 1    241014 1      C-13-H3C(O)CH3
  330938.0358  0.0019 -3.6874 3  153.1496408 -595161404251115 2    241014 2      C-13-H3C(O)CH3
  330939.0397  0.0117 -5.5964 3  669.9806872  595161404541539 1    541540 1      C-13-H3C(O)CH3
  330939.0397  0.0117 -4.6819 3  669.9806872  595161404541539 1    541440 1      C-13-H3C(O)CH3
  330939.0397  0.0117 -4.6819 3  669.9806872  595161404541639 1    541540 1      C-13-H3C(O)CH3
  330939.0397  0.0117 -5.5964 3  669.9806872  595161404541639 1    541440 1      C-13-H3C(O)CH3
  330939.0878  0.0117 -4.6892 3  669.9802872  595161404541639 2    541440 2      C-13-H3C(O)CH3
  330939.0878  0.0117 -5.5412 3  669.9802872  595161404541639 2    541540 2      C-13-H3C(O)CH3
  330939.0878  0.0117 -5.5412 3  669.9802872  595161404541539 2    541440 2      C-13-H3C(O)CH3
  330939.0878  0.0117 -4.6892 3  669.9802872  595161404541539 2    541540 2      C-13-H3C(O)CH3
  330941.5434  0.0321 -5.6662 3  585.4979744  595161404462818 1    462521 1      C-13-H3C(O)CH3
  330941.8940  0.0127 -5.0043 3  232.2946472  595161404291910 1    2820 9 1      C-13-H3C(O)CH3
  330942.2986  0.0058 -4.7514 3  228.9895472  595161404291812 1    2819 9 1      C-13-H3C(O)CH3
  330950.8070  0.0123 -5.3388 3  291.7731260  595161404322310 4    3124 8 4      C-13-H3C(O)CH3
  330955.8673  0.0115 -5.3385 3  291.7863260  5951614043223 9 3    3124 7 3      C-13-H3C(O)CH3
  330955.9511  0.1357 -6.0838 3 1383.5431A80  595161404675711 1    675612 1      C-13-H3C(O)CH3
  330965.6880  0.0018 -3.7679 3  145.7290392 -595161404241213 1    231112 1      C-13-H3C(O)CH3
  330967.1937  0.0159 -5.3665 3  249.9624244  595161404302011 4    2921 9 4      C-13-H3C(O)CH3
  330973.8147  0.1652 -6.3848 3 1383.5118540  595161404675711 4    675612 4      C-13-H3C(O)CH3
  330979.8832  0.0065 -5.0384 3  228.9704236  595161404291812 3    2819 9 3      C-13-H3C(O)CH3
  330983.0660  0.0780 -5.7519 3  780.7826856  595161404533320 0    533023 0      C-13-H3C(O)CH3
  330983.4896  0.0018 -3.7681 3  145.7252392 -595161404241213 2    231112 2      C-13-H3C(O)CH3
  331008.6688  0.0126 -4.9654 3  669.9566436  595161404541639 3    541540 3      C-13-H3C(O)CH3
  331008.6688  0.0126 -6.0733 3  669.9566436  595161404541539 3    541540 3      C-13-H3C(O)CH3
  331008.6688  0.0126 -4.9654 3  669.9566436  595161404541539 3    541440 3      C-13-H3C(O)CH3
  331008.6688  0.0126 -6.0733 3  669.9566436  595161404541639 3    541440 3      C-13-H3C(O)CH3
  331008.7246  0.0126 -4.9334 3  669.9566436  595161404541539 4    541540 4      C-13-H3C(O)CH3
  331008.7246  0.0126 -4.9334 3  669.9566436  595161404541639 4    541440 4      C-13-H3C(O)CH3
  331009.6049  0.0018 -3.6874 3  153.1480408 -595161404251015 0    241114 0      C-13-H3C(O)CH3
  331017.2248  0.0018 -3.6874 3  153.1478408 -595161404251115 0    241014 0      C-13-H3C(O)CH3
  331035.8873  0.0903 -6.1664 3 1418.3471596  595161404743341 4    743242 4      C-13-H3C(O)CH3
  331035.8873  0.0903 -6.1664 3 1418.3471596  595161404743441 4    743342 4      C-13-H3C(O)CH3
  331035.9128  0.0903 -6.1664 3 1418.3470596  595161404743441 3    743342 3      C-13-H3C(O)CH3
  331035.9128  0.0903 -6.1664 3 1418.3470596  595161404743341 3    743242 3      C-13-H3C(O)CH3
  331040.9973  0.0201 -5.7623 3  364.4908284  5951614043528 8 4    3429 6 4      C-13-H3C(O)CH3
  331053.9674  0.0222 -6.9093 3  291.8037520  5951614043223 9 1    3124 8 1      C-13-H3C(O)CH3
  331060.2411  0.0942 -5.8653 3 1418.3281B92  595161404743441 1    743342 1      C-13-H3C(O)CH3
  331060.2411  0.0942 -5.8653 3 1418.3281B92  595161404743341 1    743242 1      C-13-H3C(O)CH3
  331063.4856  0.0924 -5.8660 3 1418.3308B92  595161404743341 2    743242 2      C-13-H3C(O)CH3
  331063.4856  0.0924 -5.8660 3 1418.3308B92  595161404743441 2    743342 2      C-13-H3C(O)CH3
  331069.5288  0.0307 -5.6682 3  585.5142744  595161404462818 0    462521 0      C-13-H3C(O)CH3
  331074.6742  0.0017 -3.7682 3  145.7225392 -595161404241213 0    231112 0      C-13-H3C(O)CH3
  331087.8130  0.0954 -5.8652 3 1418.3119B92  595161404743441 0    743342 0      C-13-H3C(O)CH3
  331087.8130  0.0954 -5.8652 3 1418.3119B92  595161404743341 0    743242 0      C-13-H3C(O)CH3
  331107.7385  0.0182 -5.7631 3  364.4963284  5951614043528 8 3    3429 6 3      C-13-H3C(O)CH3
  331147.3210  0.0168 -6.7817 3  186.3254204  5951614042521 5 3    2518 7 3      C-13-H3C(O)CH3
  331165.3492  0.1414 -5.9375 3 1190.7948984  5951614046156 5 0    6155 6 0      C-13-H3C(O)CH3
  331165.3492  0.1414 -5.9375 3 1190.7948984  5951614046156 6 0    6155 7 0      C-13-H3C(O)CH3
  331186.2111  0.0746 -5.7510 3  780.7728856  595161404533320 1    533023 1      C-13-H3C(O)CH3
  331200.4029  0.0114 -6.0581 3  430.0544324  595161404402119 3    392416 3      C-13-H3C(O)CH3
  331203.5394  0.0610 -5.7508 3  780.7699856  595161404533320 2    533023 2      C-13-H3C(O)CH3
  331213.1753  0.0114 -6.0581 3  430.0539324  595161404402119 4    392416 4      C-13-H3C(O)CH3
  331221.3422  0.1437 -5.9374 3 1190.8077984  5951614046156 5 2    6155 6 2      C-13-H3C(O)CH3
  331228.2993  0.1220 -5.9375 3 1190.8049984  5951614046156 6 1    6155 7 1      C-13-H3C(O)CH3
  331232.6783  0.1175 -5.7752 3  812.1780872  595161404543420 1    543123 1      C-13-H3C(O)CH3
  331285.1861  0.1349 -6.2385 3 1190.8177492  5951614046156 6 3    6155 7 3      C-13-H3C(O)CH3
  331295.0496  0.0213 -5.3557 3  232.2655236  595161404291910 4    2820 9 4      C-13-H3C(O)CH3
  331295.3980  0.1315 -5.9374 3 1190.8242984  5951614046156 5 1    6155 6 1      C-13-H3C(O)CH3
  331302.0932  0.0256 -5.9659 3  438.0659648  595161404402317 1    392614 1      C-13-H3C(O)CH3
  331305.1942  0.0129 -5.7556 3  430.0738648  595161404402119 2    392416 2      C-13-H3C(O)CH3
  331313.0233  0.0038 -4.1813 3  184.7842276  59516140434 134 4    33 133 4      C-13-H3C(O)CH3
  331313.0233  0.0038 -4.1813 3  184.7842276  59516140434 034 4    33 033 4      C-13-H3C(O)CH3
  331313.0275  0.0039 -3.6749 3  184.7842276  59516140434 134 3    33 133 3      C-13-H3C(O)CH3
  331313.0275  0.0039 -3.6749 3  184.7842276  59516140434 034 3    33 033 3      C-13-H3C(O)CH3
  331313.0389  0.0038 -3.7593 3  184.7842276 -59516140434 034 4    33 133 4      C-13-H3C(O)CH3
  331313.0389  0.0038 -3.7593 3  184.7842276 -59516140434 134 4    33 033 4      C-13-H3C(O)CH3
  331313.0389  0.0039 -4.5441 3  184.7842276 -59516140434 134 3    33 033 3      C-13-H3C(O)CH3
  331313.0389  0.0039 -4.5441 3  184.7842276 -59516140434 034 3    33 133 3      C-13-H3C(O)CH3
  331318.2680  0.0044 -3.4714 3  184.7157552  59516140434 134 1    33 033 1      C-13-H3C(O)CH3
  331318.2680  0.0044 -3.4714 3  184.7157552  59516140434 034 1    33 133 1      C-13-H3C(O)CH3
  331318.3697  0.0043 -3.5132 3  184.7153552 -59516140434 034 2    33 033 2      C-13-H3C(O)CH3
  331318.3697  0.0044 -3.8468 3  184.7157552 -59516140434 034 1    33 033 1      C-13-H3C(O)CH3
  331318.3697  0.0044 -3.8468 3  184.7157552 -59516140434 134 1    33 133 1      C-13-H3C(O)CH3
  331318.3697  0.0043 -3.5132 3  184.7153552 -59516140434 134 2    33 133 2      C-13-H3C(O)CH3
  331318.4026  0.0043 -3.7611 3  184.7153552  59516140434 034 2    33 133 2      C-13-H3C(O)CH3
  331318.4026  0.0043 -3.7611 3  184.7153552  59516140434 134 2    33 033 2      C-13-H3C(O)CH3
  331323.6242  0.0038 -3.4248 3  184.6470552  59516140434 034 0    33 133 0      C-13-H3C(O)CH3
  331323.6242  0.0038 -3.9819 3  184.6470552  59516140434 134 0    33 133 0      C-13-H3C(O)CH3
  331323.6910  0.0038 -3.4248 3  184.6470552 -59516140434 134 0    33 033 0      C-13-H3C(O)CH3
  331323.6910  0.0038 -3.9819 3  184.6470552 -59516140434 034 0    33 033 0      C-13-H3C(O)CH3
  331324.1433  0.1476 -5.7757 3  812.1750872  595161404543420 2    543123 2      C-13-H3C(O)CH3
  331338.4234  0.0124 -6.8841 3  137.4242360  5951614042217 5 0    221210 0      C-13-H3C(O)CH3
  331349.5758  0.1251 -5.9373 3 1190.7939984  5951614046156 6 2    6155 7 2      C-13-H3C(O)CH3
  331350.6619  0.0121 -5.7571 3  430.0775648  595161404402119 1    392416 1      C-13-H3C(O)CH3
  331351.7111  0.1589 -6.2384 3 1190.8369492  5951614046156 5 4    6155 6 4      C-13-H3C(O)CH3
  331378.0741  0.0400 -6.0501 3  780.7600428  595161404533320 3    533023 3      C-13-H3C(O)CH3
  331397.5091  0.0256 -5.9553 3  438.0850648  595161404402317 0    392614 0      C-13-H3C(O)CH3
  331399.3513  0.0176 -6.7212 3  186.2754204  5951614042521 5 4    2518 8 4      C-13-H3C(O)CH3
  331413.0014  0.1412 -6.2384 3 1190.8039492  5951614046156 6 4    6155 7 4      C-13-H3C(O)CH3
  331430.4168  0.0211 -6.7291 3  186.3578204  5951614042521 4 4    2518 7 4      C-13-H3C(O)CH3
  331450.5096  0.0121 -5.7556 3  430.0970648  595161404402119 0    392416 0      C-13-H3C(O)CH3
  331463.4960  0.0085 -4.6667 3  637.5366856  595161404531439 0    531440 0      C-13-H3C(O)CH3
  331463.4960  0.0085 -5.3877 3  637.5366856  595161404531539 0    531440 0      C-13-H3C(O)CH3
  331463.4960  0.0085 -5.3877 3  637.5366856  595161404531439 0    531340 0      C-13-H3C(O)CH3
  331463.4960  0.0085 -4.6667 3  637.5366856  595161404531539 0    531340 0      C-13-H3C(O)CH3
  331463.6123  0.0510 -6.0518 3  780.7601428  595161404533320 4    533023 4      C-13-H3C(O)CH3
  331471.6682  0.0307 -6.1116 3  414.7626316  595161404392217 3    382514 3      C-13-H3C(O)CH3
  331477.4149  0.0060 -6.6823 3  120.9654180  595161404221012 3    22 715 3      C-13-H3C(O)CH3
  331478.3032  0.0081 -6.6823 3  120.9654180  595161404221012 4    22 715 4      C-13-H3C(O)CH3
  331480.4220  0.1351 -6.2382 3 1190.8232492  5951614046156 5 3    6155 6 3      C-13-H3C(O)CH3
  331523.1336  0.0107 -5.1225 3  637.5099856  595161404531539 2    531440 2      C-13-H3C(O)CH3
  331523.1336  0.0107 -4.7420 3  637.5099856  595161404531439 2    531440 2      C-13-H3C(O)CH3
  331523.1336  0.0107 -5.1225 3  637.5099856  595161404531439 2    531340 2      C-13-H3C(O)CH3
  331523.1336  0.0107 -4.7420 3  637.5099856  595161404531539 2    531340 2      C-13-H3C(O)CH3
  331523.4213  0.0108 -6.3801 3  637.5103856  595161404531539 1    531340 1      C-13-H3C(O)CH3
  331523.4213  0.0108 -6.3801 3  637.5103856  595161404531439 1    531440 1      C-13-H3C(O)CH3
  331523.4213  0.0108 -4.5980 3  637.5103856  595161404531539 1    531440 1      C-13-H3C(O)CH3
  331523.4213  0.0108 -4.5980 3  637.5103856  595161404531439 1    531340 1      C-13-H3C(O)CH3
  331523.9326  0.0018 -3.9268 3  159.9409212 -59516140426 917 4    251016 4      C-13-H3C(O)CH3
  331523.9326  0.0017 -3.9268 3  159.9409212 -595161404261017 3    25 916 3      C-13-H3C(O)CH3
  331523.9326  0.0018 -3.9268 3  159.9409212 -595161404261017 4    25 916 4      C-13-H3C(O)CH3
  331523.9326  0.0017 -3.9268 3  159.9409212 -59516140426 917 3    251016 3      C-13-H3C(O)CH3
  331575.6211  0.0274 -6.1216 3  414.7594316  595161404392217 4    382514 4      C-13-H3C(O)CH3
  331583.1429  0.0118 -6.6324 3  637.4835428  595161404531439 3    531340 3      C-13-H3C(O)CH3
  331583.1429  0.0118 -4.8996 3  637.4835428  595161404531439 3    531440 3      C-13-H3C(O)CH3
  331583.1429  0.0118 -6.6324 3  637.4835428  595161404531539 3    531440 3      C-13-H3C(O)CH3
  331583.1429  0.0118 -4.8996 3  637.4835428  595161404531539 3    531340 3      C-13-H3C(O)CH3
  331583.1535  0.0118 -5.6289 3  637.4835428  595161404531539 4    531440 4      C-13-H3C(O)CH3
  331583.1535  0.0118 -5.7945 3  637.4835428  595161404531439 4    531340 4      C-13-H3C(O)CH3
  331583.1535  0.0118 -4.9497 3  637.4835428  595161404531539 4    531340 4      C-13-H3C(O)CH3
  331583.1535  0.0118 -4.9795 3  637.4835428  595161404531439 4    531440 4      C-13-H3C(O)CH3
  331586.8126  0.0271 -5.8130 3  414.7810632  595161404392217 2    382514 2      C-13-H3C(O)CH3
  331588.1716  0.0060 -6.6820 3  120.9654180  595161404221112 3    22 815 3      C-13-H3C(O)CH3
  331588.3891  0.0080 -6.6821 3  120.9654180  595161404221112 4    22 815 4      C-13-H3C(O)CH3
  331595.6913  0.0020 -3.6257 3  159.9387424 -59516140426 917 1    251016 1      C-13-H3C(O)CH3
  331595.6913  0.0020 -3.6257 3  159.9387424 -595161404261017 1    25 916 1      C-13-H3C(O)CH3
  331598.9873  0.0020 -3.6258 3  159.9368424 -59516140426 917 2    251016 2      C-13-H3C(O)CH3
  331598.9873  0.0020 -3.6258 3  159.9368424 -595161404261017 2    25 916 2      C-13-H3C(O)CH3
  331641.1996  0.3120 -6.8913 3 1967.2513D84  595161404864343 2    864244 2      C-13-H3C(O)CH3
  331641.2323  0.3120 -6.8913 3 1967.2513D84  595161404864443 2    864344 2      C-13-H3C(O)CH3
  331643.3871  0.3280 -6.8911 3 1967.2495D84  595161404864343 1    864244 1      C-13-H3C(O)CH3
  331643.4315  0.3280 -6.8911 3 1967.2495D84  595161404864443 1    864344 1      C-13-H3C(O)CH3
  331649.7467  0.0056 -4.2401 3   84.9190148  5951614041812 6 3    1711 7 3      C-13-H3C(O)CH3
  331657.8556  0.0238 -6.5685 3  738.4202856  595161404532528 0    522825 0      C-13-H3C(O)CH3
  331662.6389  0.3306 -6.8911 3 1967.2554D84  595161404864343 0    864244 0      C-13-H3C(O)CH3
  331662.6764  0.3306 -6.8911 3 1967.2554D84  595161404864443 0    864344 0      C-13-H3C(O)CH3
  331670.4563  0.0018 -3.6258 3  159.9346424 -59516140426 917 0    251016 0      C-13-H3C(O)CH3
  331670.4563  0.0018 -3.6258 3  159.9346424 -595161404261017 0    25 916 0      C-13-H3C(O)CH3
  331676.7489  0.0170 -6.7819 3  186.3079204  5951614042521 4 3    2518 8 3      C-13-H3C(O)CH3
  331679.2150  0.0274 -6.5677 3  738.4159856  595161404532528 1    522825 1      C-13-H3C(O)CH3
  331698.4144  0.0322 -6.5666 3  738.4148856  595161404532528 2    522825 2      C-13-H3C(O)CH3
  331711.2783  0.0059 -6.3782 3  120.9468360  595161404221012 2    22 715 2      C-13-H3C(O)CH3
  331719.6558  0.0345 -6.8670 3  738.4105428  595161404532528 3    522825 3      C-13-H3C(O)CH3
  331719.7311  0.0346 -6.8670 3  738.4104428  595161404532528 4    522825 4      C-13-H3C(O)CH3
  331735.5318  0.0239 -6.5683 3  738.4176856  595161404532628 0    522725 0      C-13-H3C(O)CH3
  331735.7544  0.0272 -5.6718 3 1054.2613A48  595161404652540 0    652541 0      C-13-H3C(O)CH3
  331735.7544  0.0272 -5.4121 3 1054.2613A48  595161404652540 0    652441 0      C-13-H3C(O)CH3
  331735.7544  0.0272 -5.4121 3 1054.2613A48  595161404652640 0    652541 0      C-13-H3C(O)CH3
  331735.7544  0.0272 -5.6718 3 1054.2613A48  595161404652640 0    652441 0      C-13-H3C(O)CH3
  331761.4722  0.0272 -6.5675 3  738.4131856  595161404532628 1    522725 1      C-13-H3C(O)CH3
  331763.1240  0.0059 -6.3786 3  120.9481360  595161404221012 1    22 715 1      C-13-H3C(O)CH3
  331764.6157  0.0047 -3.9420 3   84.8937296  5951614041812 6 2    1711 7 2      C-13-H3C(O)CH3
  331766.7676  0.0298 -5.2581 3 1054.2741A48  595161404652540 1    652441 1      C-13-H3C(O)CH3
  331766.7676  0.0298 -6.3161 3 1054.2741A48  595161404652540 1    652541 1      C-13-H3C(O)CH3
  331766.7676  0.0298 -5.2581 3 1054.2741A48  595161404652640 1    652541 1      C-13-H3C(O)CH3
  331766.7676  0.0298 -6.3161 3 1054.2741A48  595161404652640 1    652441 1      C-13-H3C(O)CH3
  331771.1260  0.0353 -5.2230 3 1054.2749A48  595161404652540 2    652541 2      C-13-H3C(O)CH3
  331771.1260  0.0353 -5.2230 3 1054.2749A48  595161404652640 2    652441 2      C-13-H3C(O)CH3
  331781.2546  0.0329 -6.5664 3  738.4120856  595161404532628 2    522725 2      C-13-H3C(O)CH3
  331788.7680  0.0037 -3.9333 3   84.8715296 -5951614041812 6 0    1711 7 0      C-13-H3C(O)CH3
  331793.7238  0.0167 -4.7456 3   86.9456148  5951614041813 5 4    1712 6 4      C-13-H3C(O)CH3
  331802.2123  0.0333 -5.5296 3 1054.2877524  595161404652640 3    652541 3      C-13-H3C(O)CH3
  331802.2123  0.0333 -5.5296 3 1054.2877524  595161404652540 3    652441 3      C-13-H3C(O)CH3
  331802.3192  0.0334 -6.8813 3 1054.2877524  595161404652640 4    652441 4      C-13-H3C(O)CH3
  331802.3192  0.0334 -5.5420 3 1054.2877524  595161404652540 4    652441 4      C-13-H3C(O)CH3
  331802.3192  0.0334 -5.5232 3 1054.2877524  595161404652640 4    652541 4      C-13-H3C(O)CH3
  331807.2514  0.0353 -6.8667 3  738.4075428  595161404532628 4    522725 4      C-13-H3C(O)CH3
  331807.4004  0.0351 -6.8667 3  738.4075428  595161404532628 3    522725 3      C-13-H3C(O)CH3
  331825.7277  0.0059 -6.3780 3  120.9468360  595161404221112 2    22 815 2      C-13-H3C(O)CH3
  331836.2888  0.0154 -6.4294 3  186.3552408  5951614042521 4 1    2518 7 1      C-13-H3C(O)CH3
  331847.1653  0.1106 -6.0758 3  812.1621436  595161404543420 3    543123 3      C-13-H3C(O)CH3
  331866.1210  0.0066 -4.4341 3   63.1899264 -59516140416 9 7 2    15 8 8 2      C-13-H3C(O)CH3
  331871.1508  0.0046 -3.9471 3   84.8945296  5951614041812 6 1    1711 7 1      C-13-H3C(O)CH3
  331874.0976  0.0059 -6.3783 3  120.9481360  595161404221112 1    22 815 1      C-13-H3C(O)CH3
  331886.6264  0.0061 -4.7366 3   63.2287132  59516140416 9 7 3    15 8 8 3      C-13-H3C(O)CH3
  331887.2693  0.0042 -5.1934 3   40.8785116  59516140414 5 9 3    13 410 3      C-13-H3C(O)CH3
  331887.8473  0.0055 -5.1934 3   40.8785116  59516140414 5 9 4    13 410 4      C-13-H3C(O)CH3
  331908.5750  0.0042 -5.1934 3   40.8785116  59516140414 6 9 3    13 310 3      C-13-H3C(O)CH3
  331908.8987  0.0055 -5.1934 3   40.8785116  59516140414 6 9 4    13 310 4      C-13-H3C(O)CH3
  331920.6223  0.1868 -6.5763 3 1525.6449572  595161404715813 4    715714 4      C-13-H3C(O)CH3
  331928.0228  0.0087 -4.7367 3   63.2286132  59516140416 9 7 4    15 8 8 4      C-13-H3C(O)CH3
  331974.8500  0.0064 -4.4330 3   63.1531264 -59516140416 9 7 0    15 8 8 0      C-13-H3C(O)CH3
  331990.1842  0.1394 -6.0804 3  812.1623436  595161404543420 4    543123 4      C-13-H3C(O)CH3
  331990.5044  0.0204 -5.8039 3  414.7789632  595161404392217 1    382514 1      C-13-H3C(O)CH3
  331996.2057  0.0057 -6.3752 3  120.9296360  595161404221012 0    22 715 0      C-13-H3C(O)CH3
  332014.5347  0.0064 -4.4346 3   63.1918264 -59516140416 9 7 1    15 8 8 1      C-13-H3C(O)CH3
  332032.2273  0.0077 -4.6680 3  605.6517840 -595161404521439 0    521240 0      C-13-H3C(O)CH3
  332032.2273  0.0077 -5.1876 3  605.6517840 -595161404521339 0    521240 0      C-13-H3C(O)CH3
  332032.3001  0.0077 -5.1876 3  605.6517840  595161404521439 0    521340 0      C-13-H3C(O)CH3
  332032.3001  0.0077 -4.6680 3  605.6517840  595161404521339 0    521340 0      C-13-H3C(O)CH3
  332038.3840  0.0067 -4.2718 3   84.9146148  5951614041812 6 4    1711 7 4      C-13-H3C(O)CH3
  332043.4095  0.0150 -6.4257 3  186.3066408  5951614042521 5 1    2518 8 1      C-13-H3C(O)CH3
  332055.3328  0.1892 -6.2750 3 1525.6465B44  595161404715813 2    715714 2      C-13-H3C(O)CH3
  332058.5740  0.0201 -5.8010 3  414.7988632  595161404392217 0    382514 0      C-13-H3C(O)CH3
  332059.5025  0.1797 -6.5760 3 1525.6013572  595161404715814 3    715715 3      C-13-H3C(O)CH3
  332068.1517  0.0126 -5.6672 3  345.3570568  595161404352412 1    352115 1      C-13-H3C(O)CH3
  332074.4545  0.0153 -6.4329 3  186.3196408  5951614042521 5 2    2518 8 2      C-13-H3C(O)CH3
  332077.9547  0.0100 -5.5097 3  605.6229840  595161404521439 2    521340 2      C-13-H3C(O)CH3
  332077.9547  0.0100 -5.5097 3  605.6229840  595161404521339 2    521240 2      C-13-H3C(O)CH3
  332077.9547  0.0100 -4.6039 3  605.6229840  595161404521339 2    521340 2      C-13-H3C(O)CH3
  332077.9547  0.0100 -4.6039 3  605.6229840  595161404521439 2    521240 2      C-13-H3C(O)CH3
  332078.5230  0.0102 -5.3852 3  605.6234840  595161404521339 1    521240 1      C-13-H3C(O)CH3
  332078.5230  0.0102 -4.5535 3  605.6234840  595161404521339 1    521340 1      C-13-H3C(O)CH3
  332078.5230  0.0102 -4.6222 3  605.6234840  595161404521439 1    521240 1      C-13-H3C(O)CH3
  332082.6656  0.1947 -6.5760 3 1525.6079572  595161404715813 3    715714 3      C-13-H3C(O)CH3
  332111.0939  0.1687 -6.2750 3 1525.6411B44  595161404715813 1    715714 1      C-13-H3C(O)CH3
  332111.1318  0.0057 -6.3750 3  120.9296360  595161404221112 0    22 815 0      C-13-H3C(O)CH3
  332124.2024  0.0111 -4.8573 3  605.5944420  595161404521439 4    521340 4      C-13-H3C(O)CH3
  332124.2024  0.0111 -4.8573 3  605.5944420  595161404521339 4    521240 4      C-13-H3C(O)CH3
  332124.2454  0.0111 -4.8873 3  605.5944420  595161404521439 3    521240 3      C-13-H3C(O)CH3
  332124.2454  0.0111 -4.8873 3  605.5944420  595161404521339 3    521340 3      C-13-H3C(O)CH3
  332124.2454  0.0111 -5.9848 3  605.5944420  595161404521439 3    521340 3      C-13-H3C(O)CH3
  332124.2454  0.0111 -5.9848 3  605.5944420  595161404521339 3    521240 3      C-13-H3C(O)CH3
  332136.8124  0.1683 -6.6532 3 1682.7467644  595161404803842 4    803743 4      C-13-H3C(O)CH3
  332136.8133  0.1683 -6.6532 3 1682.7467644  595161404803942 4    803843 4      C-13-H3C(O)CH3
  332136.8832  0.1683 -6.6532 3 1682.7467644  595161404803842 3    803743 3      C-13-H3C(O)CH3
  332136.8841  0.1683 -6.6532 3 1682.7467644  595161404803942 3    803843 3      C-13-H3C(O)CH3
  332170.6851  0.0051 -4.8910 3   40.8226232  59516140414 5 9 2    13 410 2      C-13-H3C(O)CH3
  332170.8126  0.1370 -6.3560 3 1352.0408532  5951614046657 9 4    665610 4      C-13-H3C(O)CH3
  332170.8745  0.1780 -6.3524 3 1682.7408C88  595161404803842 2    803743 2      C-13-H3C(O)CH3
  332170.8752  0.1780 -6.3524 3 1682.7408C88  595161404803942 2    803843 2      C-13-H3C(O)CH3
  332171.0667  0.1904 -6.3521 3 1682.7377C88  595161404803842 1    803743 1      C-13-H3C(O)CH3
  332171.0677  0.1904 -6.3521 3 1682.7377C88  595161404803942 1    803843 1      C-13-H3C(O)CH3
  332175.8642  0.1468 -6.0549 3 1352.0305A64  5951614046657 9 2    665610 2      C-13-H3C(O)CH3
  332185.5390  0.0049 -4.8912 3   40.8233232  59516140414 5 9 1    13 410 1      C-13-H3C(O)CH3
  332192.8113  0.0050 -4.8910 3   40.8226232  59516140414 6 9 2    13 310 2      C-13-H3C(O)CH3
  332194.0730  0.1721 -6.2747 3 1525.6029B44  595161404715814 2    715715 2      C-13-H3C(O)CH3
  332198.3547  0.0119 -5.6675 3  345.3778568  595161404352412 0    352115 0      C-13-H3C(O)CH3
  332205.0013  0.1926 -6.3520 3 1682.7318C88  595161404803842 0    803743 0      C-13-H3C(O)CH3
  332205.0021  0.1926 -6.3520 3 1682.7318C88  595161404803942 0    803843 0      C-13-H3C(O)CH3
  332205.6287  0.1449 -5.9526 3 1162.2170968  5951614046056 5 0    6055 6 0      C-13-H3C(O)CH3
  332205.6287  0.1449 -5.9526 3 1162.2170968  5951614046056 4 0    6055 5 0      C-13-H3C(O)CH3
  332207.0829  0.0049 -4.8912 3   40.8233232  59516140414 6 9 1    13 310 1      C-13-H3C(O)CH3
  332221.1669  0.2082 -6.5757 3 1525.5643572  595161404715814 4    715715 4      C-13-H3C(O)CH3
  332242.0404  0.0194 -6.0178 3  345.3309284  595161404352412 3    352115 3      C-13-H3C(O)CH3
  332242.6161  0.0168 -6.0188 3  345.3308284  595161404352412 4    352115 4      C-13-H3C(O)CH3
  332243.0741  0.1332 -6.3558 3 1352.0126532  5951614046657 9 3    665610 3      C-13-H3C(O)CH3
  332245.3411  0.1811 -6.2747 3 1525.6427B44  595161404715813 0    715715 0      C-13-H3C(O)CH3
  332245.3411  0.1811 -6.2747 3 1525.6427B44  595161404715814 0    715714 0      C-13-H3C(O)CH3
  332256.8070  0.0145 -6.4370 3  186.3554408  5951614042521 4 2    2518 7 2      C-13-H3C(O)CH3
  332256.9749  0.1287 -5.9527 3 1162.2336968  5951614046056 5 1    6055 6 1      C-13-H3C(O)CH3
  332269.6940  0.0178 -6.6260 3  228.9895456  5951614042822 7 1    2819 9 1      C-13-H3C(O)CH3
  332272.7189  0.1681 -6.2746 3 1525.6040B44  595161404715814 1    715715 1      C-13-H3C(O)CH3
  332282.9458  0.1377 -6.0548 3 1352.0342A64  5951614046657 9 1    665610 1      C-13-H3C(O)CH3
  332287.4364  0.1669 -6.0547 3 1352.0239A64  5951614046657 9 0    665611 0      C-13-H3C(O)CH3
  332287.4364  0.1669 -6.0547 3 1352.0239A64  595161404665710 0    665610 0      C-13-H3C(O)CH3
  332320.4390  0.1541 -5.9525 3 1162.2325968  5951614046056 4 2    6055 5 2      C-13-H3C(O)CH3
  332326.0249  0.3149 -6.7649 3 1833.7776C72  595161404796019 1    795920 1      C-13-H3C(O)CH3
  332334.9555  0.1396 -6.3557 3 1352.0065532  595161404665710 3    665611 3      C-13-H3C(O)CH3
  332339.5786  0.1444 -6.0546 3 1351.9962A64  595161404665710 2    665611 2      C-13-H3C(O)CH3
  332354.3540  0.1340 -6.0546 3 1352.0060A64  595161404665710 1    665611 1      C-13-H3C(O)CH3
  332366.5068  0.1397 -5.9525 3 1162.2519968  5951614046056 4 1    6055 5 1      C-13-H3C(O)CH3
  332372.7989  0.1462 -6.2536 3 1162.2490484  5951614046056 5 3    6055 6 3      C-13-H3C(O)CH3
  332375.7624  0.0149 -5.7190 3  345.3516568  595161404352412 2    352115 2      C-13-H3C(O)CH3
  332380.8607  0.0229 -6.8231 3  228.9704228  5951614042822 7 3    2819 9 3      C-13-H3C(O)CH3
  332401.1004  0.0019 -3.8760 3  166.1396220 -59516140427 919 4    26 818 4      C-13-H3C(O)CH3
  332401.1004  0.0018 -3.8760 3  166.1396220 -59516140427 919 3    26 818 3      C-13-H3C(O)CH3
  332401.1004  0.0018 -3.8760 3  166.1396220 -59516140427 819 3    26 918 3      C-13-H3C(O)CH3
  332401.1004  0.0019 -3.8760 3  166.1396220 -59516140427 819 4    26 918 4      C-13-H3C(O)CH3
  332406.4554  0.1589 -6.3556 3 1351.9783532  595161404665710 4    665611 4      C-13-H3C(O)CH3
  332423.5459  0.1309 -5.9524 3 1162.2247968  5951614046056 5 2    6055 6 2      C-13-H3C(O)CH3
  332424.3434  0.0801 -6.0844 3 1374.3770588  595161404733241 4    733142 4      C-13-H3C(O)CH3
  332424.3434  0.0801 -6.0844 3 1374.3770588  595161404733341 4    733242 4      C-13-H3C(O)CH3
  332424.3562  0.0801 -6.0843 3 1374.3769588  595161404733241 3    733142 3      C-13-H3C(O)CH3
  332424.3562  0.0801 -6.0843 3 1374.3769588  595161404733341 3    733242 3      C-13-H3C(O)CH3
  332425.4877  0.3596 -6.7648 3 1833.7801C72  595161404796019 2    795920 2      C-13-H3C(O)CH3
  332439.2775  0.2869 -6.8054 3 1675.6978604  595161404755916 4    755817 4      C-13-H3C(O)CH3
  332444.1171  0.0813 -5.7832 3 1374.3571B76  595161404733241 1    733142 1      C-13-H3C(O)CH3
  332444.1171  0.0813 -5.7832 3 1374.3571B76  595161404733341 1    733242 1      C-13-H3C(O)CH3
  332447.8040  0.0812 -5.7838 3 1374.3595B76  595161404733241 2    733142 2      C-13-H3C(O)CH3
  332447.8040  0.0812 -5.7839 3 1374.3595B76  595161404733341 2    733242 2      C-13-H3C(O)CH3
  332466.9265  0.0022 -3.5749 3  166.1360440 -59516140427 819 1    26 918 1      C-13-H3C(O)CH3
  332466.9265  0.0022 -3.5749 3  166.1360440 -59516140427 919 1    26 818 1      C-13-H3C(O)CH3
  332467.5744  0.0822 -5.7831 3 1374.3397B76  595161404733341 0    733242 0      C-13-H3C(O)CH3
  332467.5744  0.0822 -5.7832 3 1374.3397B76  595161404733241 0    733142 0      C-13-H3C(O)CH3
  332468.1814  0.0051 -4.8899 3   40.7675232  59516140414 5 9 0    13 410 0      C-13-H3C(O)CH3
  332468.9592  0.0021 -3.5750 3  166.1346440 -59516140427 919 2    26 818 2      C-13-H3C(O)CH3
  332468.9592  0.0021 -3.5750 3  166.1346440 -59516140427 819 2    26 918 2      C-13-H3C(O)CH3
  332475.4505  0.1482 -6.2535 3 1162.2412484  5951614046056 5 4    6055 6 4      C-13-H3C(O)CH3
  332482.1080  0.1743 -6.2534 3 1162.2672484  5951614046056 4 4    6055 5 4      C-13-H3C(O)CH3
  332490.6696  0.0051 -4.8898 3   40.7675232  59516140414 6 9 0    13 310 0      C-13-H3C(O)CH3
  332498.5295  0.2545 -6.7645 3 1833.7468C72  595161404796020 2    795921 2      C-13-H3C(O)CH3
  332516.9262  0.2926 -6.7645 3 1833.7360C72  595161404796020 1    795921 1      C-13-H3C(O)CH3
  332523.7716  0.0195 -6.6234 3  228.9704228  5951614042822 6 3    2819 9 3      C-13-H3C(O)CH3
  332528.0905  0.0165 -6.4238 3  186.3572408  5951614042521 4 0    2518 7 0      C-13-H3C(O)CH3
  332533.0467  0.0159 -5.8469 3   89.2871296  5951614041814 5 1    1713 4 1      C-13-H3C(O)CH3
  332534.5879  0.0019 -3.5749 3  166.1310440 -59516140427 819 0    26 918 0      C-13-H3C(O)CH3
  332534.5879  0.0019 -3.5749 3  166.1310440 -59516140427 919 0    26 818 0      C-13-H3C(O)CH3
  332543.9555  0.2351 -6.8051 3 1675.6562604  595161404755917 3    755818 3      C-13-H3C(O)CH3
  332556.2264  0.0132 -6.6614 3   37.7604200  5951614041211 2 1    11 8 3 1      C-13-H3C(O)CH3
  332577.9188  0.0071 -6.4252 3  574.3503824 -595161404511239 0    511140 0      C-13-H3C(O)CH3
  332577.9188  0.0071 -6.4252 3  574.3503824 -595161404511339 0    511240 0      C-13-H3C(O)CH3
  332577.9585  0.0071 -4.5246 3  574.3503824  595161404511339 0    511140 0      C-13-H3C(O)CH3
  332577.9585  0.0071 -4.5246 3  574.3503824  595161404511239 0    511240 0      C-13-H3C(O)CH3
  332585.5526  0.1443 -6.2533 3 1162.2595484  5951614046056 4 3    6055 5 3      C-13-H3C(O)CH3
  332588.8214  0.2602 -6.7645 3 1833.7867C72  595161404796019 0    795920 0      C-13-H3C(O)CH3
  332588.8214  0.2602 -6.7645 3 1833.7867C72  595161404796020 0    795921 0      C-13-H3C(O)CH3
  332605.0789  0.0096 -4.7736 3  574.3202824  595161404511239 2    511140 2      C-13-H3C(O)CH3
  332605.0789  0.0096 -4.8721 3  574.3202824  595161404511239 2    511240 2      C-13-H3C(O)CH3
  332605.0789  0.0096 -4.8721 3  574.3202824  595161404511339 2    511140 2      C-13-H3C(O)CH3
  332605.0789  0.0096 -4.7736 3  574.3202824  595161404511339 2    511240 2      C-13-H3C(O)CH3
  332605.8674  0.0098 -4.5550 3  574.3207824  595161404511239 1    511240 1      C-13-H3C(O)CH3
  332605.8674  0.0098 -4.5550 3  574.3207824  595161404511339 1    511140 1      C-13-H3C(O)CH3
  332605.8674  0.0098 -5.6188 3  574.3207824  595161404511339 1    511240 1      C-13-H3C(O)CH3
  332605.8674  0.0098 -5.6188 3  574.3207824  595161404511239 1    511140 1      C-13-H3C(O)CH3
  332632.3539  0.2817 -6.8050 3 1675.6569604  595161404755916 3    755817 3      C-13-H3C(O)CH3
  332632.5430  0.2225 -6.5040 3 1675.6981C08  595161404755916 1    755817 1      C-13-H3C(O)CH3
  332632.9291  0.0104 -4.8409 3  574.2905412  595161404511239 4    511240 4      C-13-H3C(O)CH3
  332632.9291  0.0104 -6.1459 3  574.2905412  595161404511239 4    511140 4      C-13-H3C(O)CH3
  332632.9291  0.0104 -4.8409 3  574.2905412  595161404511339 4    511140 4      C-13-H3C(O)CH3
  332632.9291  0.0104 -6.1459 3  574.2905412  595161404511339 4    511240 4      C-13-H3C(O)CH3
  332633.0327  0.0104 -4.9203 3  574.2905412  595161404511339 3    511140 3      C-13-H3C(O)CH3
  332633.0327  0.0104 -4.9203 3  574.2905412  595161404511239 3    511240 3      C-13-H3C(O)CH3
  332633.0327  0.0104 -5.5052 3  574.2905412  595161404511339 3    511240 3      C-13-H3C(O)CH3
  332633.0327  0.0104 -5.5052 3  574.2905412  595161404511239 3    511140 3      C-13-H3C(O)CH3
  332650.5235  0.2597 -6.5040 3 1675.7049C08  595161404755916 2    755817 2      C-13-H3C(O)CH3
  332669.8950  0.0148 -5.9986 3  410.8425316  595161404392118 3    382415 3      C-13-H3C(O)CH3
  332680.2087  0.0243 -5.4779 3 1015.4192A32  595161404642440 0    642441 0      C-13-H3C(O)CH3
  332680.2087  0.0243 -5.4357 3 1015.4192A32  595161404642440 0    642341 0      C-13-H3C(O)CH3
  332680.2087  0.0243 -5.4357 3 1015.4192A32  595161404642540 0    642441 0      C-13-H3C(O)CH3
  332680.2087  0.0243 -5.4779 3 1015.4192A32  595161404642540 0    642341 0      C-13-H3C(O)CH3
  332691.9864  0.0139 -5.9988 3  410.8418316  595161404392118 4    382415 4      C-13-H3C(O)CH3
  332720.3625  0.0273 -5.1879 3 1015.4295A32  595161404642540 1    642441 1      C-13-H3C(O)CH3
  332720.3625  0.0273 -5.1879 3 1015.4295A32  595161404642440 1    642341 1      C-13-H3C(O)CH3
  332720.3625  0.0273 -6.2932 3 1015.4295A32  595161404642440 1    642441 1      C-13-H3C(O)CH3
  332720.3625  0.0273 -6.2932 3 1015.4295A32  595161404642540 1    642341 1      C-13-H3C(O)CH3
  332724.4466  0.0324 -5.1591 3 1015.4301A32  595161404642540 2    642341 2      C-13-H3C(O)CH3
  332724.4466  0.0324 -5.1591 3 1015.4301A32  595161404642440 2    642441 2      C-13-H3C(O)CH3
  332736.9115  0.2551 -6.8047 3 1675.6153604  595161404755917 4    755818 4      C-13-H3C(O)CH3
  332755.1841  0.2020 -6.5037 3 1675.6633C08  595161404755917 2    755818 2      C-13-H3C(O)CH3
  332764.6806  0.0298 -5.9409 3 1015.4404516  595161404642440 3    642341 3      C-13-H3C(O)CH3
  332764.6806  0.0298 -5.6282 3 1015.4404516  595161404642540 3    642341 3      C-13-H3C(O)CH3
  332764.6806  0.0298 -5.9409 3 1015.4404516  595161404642540 3    642441 3      C-13-H3C(O)CH3
  332764.6806  0.0298 -5.6282 3 1015.4404516  595161404642440 3    642441 3      C-13-H3C(O)CH3
  332764.8031  0.0299 -5.8365 3 1015.4404516  595161404642440 4    642441 4      C-13-H3C(O)CH3
  332764.8031  0.0299 -5.8365 3 1015.4404516  595161404642540 4    642341 4      C-13-H3C(O)CH3
  332764.8031  0.0299 -5.6899 3 1015.4404516  595161404642540 4    642441 4      C-13-H3C(O)CH3
  332764.8031  0.0299 -5.6899 3 1015.4404516  595161404642440 4    642341 4      C-13-H3C(O)CH3
  332771.9638  0.0190 -6.5112 3  228.9890456  5951614042822 7 2    2819 9 2      C-13-H3C(O)CH3
  332772.2413  0.0152 -5.6959 3  410.8620632  595161404392118 2    382415 2      C-13-H3C(O)CH3
  332824.3718  0.1473 -6.8284 3  673.3382792  595161404493218 2    492920 2      C-13-H3C(O)CH3
  332825.5269  0.2168 -6.5036 3 1675.6572C08  595161404755917 1    755818 1      C-13-H3C(O)CH3
  332843.6034  0.1993 -6.5037 3 1675.7053C08  595161404755916 0    755818 0      C-13-H3C(O)CH3
  332843.6034  0.1993 -6.5037 3 1675.7053C08  595161404755917 0    755817 0      C-13-H3C(O)CH3
  332855.6139  0.0156 -5.7393 3   89.2875296  5951614041814 5 2    1713 4 2      C-13-H3C(O)CH3
  332857.9170  0.0163 -6.4231 3  186.3462408  5951614042521 5 0    2518 8 0      C-13-H3C(O)CH3
  332899.1789  0.0142 -6.6305 3   37.7588200  5951614041211 2 2    11 8 3 2      C-13-H3C(O)CH3
  332924.6563  0.0130 -5.6962 3  410.8636632  595161404392118 1    382415 1      C-13-H3C(O)CH3
  332990.4583  0.0122 -5.6267 3  362.9017584  595161404362413 1    362116 1      C-13-H3C(O)CH3
  333014.2712  0.0120 -5.6263 3  362.9233584  595161404362413 0    362116 0      C-13-H3C(O)CH3
  333019.0931  0.0133 -5.6945 3  410.8833632  595161404392118 0    382415 0      C-13-H3C(O)CH3
  333083.6958  0.0215 -6.5277 3  228.9764228  5951614042822 6 4    2819 9 4      C-13-H3C(O)CH3
  333102.0262  0.0070 -4.6804 3  543.6331808 -595161404501139 0    501140 0      C-13-H3C(O)CH3
  333102.0262  0.0070 -4.6804 3  543.6331808 -595161404501239 0    501040 0      C-13-H3C(O)CH3
  333102.3982  0.0070 -4.9375 3  543.6331808  595161404501139 0    501040 0      C-13-H3C(O)CH3
  333102.3982  0.0070 -4.9375 3  543.6331808  595161404501239 0    501140 0      C-13-H3C(O)CH3
  333105.9671  0.0094 -4.6126 3  543.6028808  595161404501239 2    501040 2      C-13-H3C(O)CH3
  333105.9671  0.0094 -4.5005 3  543.6028808  595161404501139 2    501040 2      C-13-H3C(O)CH3
  333105.9671  0.0094 -5.0956 3  543.6028808  595161404501239 2    501140 2      C-13-H3C(O)CH3
  333105.9671  0.0094 -6.0755 3  543.6028808  595161404501139 2    501140 2      C-13-H3C(O)CH3
  333106.9135  0.0096 -4.5194 3  543.6033808  595161404501139 1    501140 1      C-13-H3C(O)CH3
  333106.9135  0.0096 -5.0522 3  543.6033808  595161404501239 1    501140 1      C-13-H3C(O)CH3
  333106.9135  0.0096 -5.6612 3  543.6033808  595161404501139 1    501040 1      C-13-H3C(O)CH3
  333106.9135  0.0096 -4.6279 3  543.6033808  595161404501239 1    501040 1      C-13-H3C(O)CH3
  333110.3278  0.0098 -4.8848 3  543.5729404  595161404501139 4    501140 4      C-13-H3C(O)CH3
  333110.3278  0.0098 -4.8848 3  543.5729404  595161404501239 4    501040 4      C-13-H3C(O)CH3
  333110.3278  0.0098 -5.4980 3  543.5729404  595161404501139 4    501040 4      C-13-H3C(O)CH3
  333110.3278  0.0098 -5.4980 3  543.5729404  595161404501239 4    501140 4      C-13-H3C(O)CH3
  333110.4965  0.0098 -6.7170 3  543.5729404  595161404501139 3    501140 3      C-13-H3C(O)CH3
  333110.4965  0.0098 -4.7952 3  543.5729404  595161404501139 3    501040 3      C-13-H3C(O)CH3
  333110.4965  0.0098 -4.7952 3  543.5729404  595161404501239 3    501140 3      C-13-H3C(O)CH3
  333110.4965  0.0098 -6.7170 3  543.5729404  595161404501239 3    501040 3      C-13-H3C(O)CH3
  333144.8259  0.0034 -3.7758 3   86.7413140 -5951614041716 1 4    1615 1 4      C-13-H3C(O)CH3
  333150.4395  0.0150 -6.2672 3  228.9895456  5951614042822 6 1    2819 9 1      C-13-H3C(O)CH3
  333157.6343  0.0060 -6.6838 3  228.9119472  595161404291812 2    281910 2      C-13-H3C(O)CH3
  333185.4024  0.1516 -5.9865 3 1134.1354952  5951614045956 4 0    5955 4 0      C-13-H3C(O)CH3
  333185.4024  0.1516 -5.9865 3 1134.1354952  5951614045956 3 0    5955 5 0      C-13-H3C(O)CH3
  333191.5816  0.0034 -3.7756 3   86.6619140 -5951614041716 1 3    1615 1 3      C-13-H3C(O)CH3
  333198.5529  0.0190 -6.6315 3  345.3516568  595161404352411 2    352115 2      C-13-H3C(O)CH3
  333216.2077  0.0137 -5.9413 3  362.8740292  595161404362413 4    362116 4      C-13-H3C(O)CH3
  333220.2709  0.1379 -5.9866 3 1134.1585952  5951614045956 4 1    5955 5 1      C-13-H3C(O)CH3
  333221.2216  0.0141 -5.2598 3  337.5042552  5951614043426 9 0    3327 6 0      C-13-H3C(O)CH3
  333222.3053  0.0141 -5.2598 3  337.5042552  5951614043426 8 0    3327 7 0      C-13-H3C(O)CH3
  333238.4687  0.0037 -3.7754 3   86.6601140 -5951614041716 2 3    1615 2 3      C-13-H3C(O)CH3
  333252.1547  0.0155 -5.9349 3  362.8741292  595161404362413 3    362116 3      C-13-H3C(O)CH3
  333261.6220  0.0130 -5.6373 3  362.8958584  595161404362413 2    362116 2      C-13-H3C(O)CH3
  333284.4534  0.0142 -6.7073 3   37.8004100  5951614041211 2 3    11 8 3 3      C-13-H3C(O)CH3
  333285.2315  0.0036 -3.7752 3   86.5809140 -5951614041716 2 4    1615 2 4      C-13-H3C(O)CH3
  333344.8611  0.0071 -6.8956 3  228.8915236  595161404291812 3    281910 3      C-13-H3C(O)CH3
  333355.3031  0.1283 -6.8136 3  673.3157396  595161404493218 4    492920 4      C-13-H3C(O)CH3
  333363.6479  0.1679 -5.9863 3 1134.1544952  5951614045956 4 2    5955 4 2      C-13-H3C(O)CH3
  333370.4638  0.0096 -6.8142 3  159.9978196  5951614042417 7 3    241212 3      C-13-H3C(O)CH3
  333374.3841  0.1509 -5.9864 3 1134.1764952  5951614045956 3 1    5955 4 1      C-13-H3C(O)CH3
  333375.3158  0.0019 -3.8321 3  171.7700228 -59516140428 821 3    27 720 3      C-13-H3C(O)CH3
  333375.3158  0.0020 -3.8321 3  171.7701228 -59516140428 721 4    27 820 4      C-13-H3C(O)CH3
  333375.3158  0.0020 -3.8321 3  171.7701228 -59516140428 821 4    27 720 4      C-13-H3C(O)CH3
  333375.3158  0.0019 -3.8321 3  171.7700228 -59516140428 721 3    27 820 3      C-13-H3C(O)CH3
  333393.2926  0.0031 -3.4740 3   86.7056280 -5951614041716 1 1    1615 1 1      C-13-H3C(O)CH3
  333398.8187  0.0136 -5.2585 3  337.4748552  5951614043426 9 2    3327 6 2      C-13-H3C(O)CH3
  333399.5889  0.1597 -6.2874 3 1134.1776476  5951614045956 4 3    5955 5 3      C-13-H3C(O)CH3
  333402.7263  0.0620 -6.7810 3  620.6730760  595161404473117 1    472819 1      C-13-H3C(O)CH3
  333421.0149  0.0143 -5.2600 3  337.4621552  5951614043426 8 1    3327 6 1      C-13-H3C(O)CH3
  333433.8442  0.1398 -5.9863 3 1134.1526952  5951614045956 3 2    5955 5 2      C-13-H3C(O)CH3
  333436.1314  0.0023 -3.5310 3  171.7641456 -59516140428 721 1    27 820 1      C-13-H3C(O)CH3
  333436.1314  0.0023 -3.5310 3  171.7641456 -59516140428 821 1    27 720 1      C-13-H3C(O)CH3
  333437.4948  0.0022 -3.5310 3  171.7630456 -59516140428 721 2    27 820 2      C-13-H3C(O)CH3
  333437.4948  0.0022 -3.5310 3  171.7630456 -59516140428 821 2    27 720 2      C-13-H3C(O)CH3
  333439.3353  0.0073 -5.8367 3  225.8222472  595161404291713 2    291416 2      C-13-H3C(O)CH3
  333441.0662  0.0032 -3.4738 3   86.7162280 -5951614041716 1 2    1615 1 2      C-13-H3C(O)CH3
  333441.6487  0.0066 -6.0799 3  228.9062472  595161404291812 1    281910 1      C-13-H3C(O)CH3
  333441.8495  0.0084 -6.1392 3  225.8093236  595161404291713 4    291416 4      C-13-H3C(O)CH3
  333442.1035  0.0082 -6.1756 3   41.8833108  5951614041310 4 4    12 7 6 4      C-13-H3C(O)CH3
  333444.0929  0.0074 -6.1392 3  225.8093236  595161404291713 3    291416 3      C-13-H3C(O)CH3
  333455.9445  0.0125 -6.6730 3   37.8004100  5951614041211 1 3    11 8 3 3      C-13-H3C(O)CH3
  333462.2527  0.0163 -5.3565 3  250.0063244  595161404302010 4    2921 8 4      C-13-H3C(O)CH3
  333469.3340  0.1573 -6.2874 3 1134.1757476  5951614045956 4 4    5955 5 4      C-13-H3C(O)CH3
  333486.2499  0.0034 -3.4736 3   86.6246280 -5951614041716 2 1    1615 2 1      C-13-H3C(O)CH3
  333487.1408  0.0034 -3.4736 3   86.6369280 -5951614041716 2 2    1615 2 2      C-13-H3C(O)CH3
  333490.9636  0.0143 -6.1105 3  229.0049456  5951614042822 6 0    2819 9 0      C-13-H3C(O)CH3
  333496.8723  0.0142 -6.0085 3  515.3104712  595161404442322 0    432419 0      C-13-H3C(O)CH3
  333498.1727  0.0020 -3.5309 3  171.7571456 -59516140428 721 0    27 820 0      C-13-H3C(O)CH3
  333498.1727  0.0020 -3.5309 3  171.7571456 -59516140428 821 0    27 720 0      C-13-H3C(O)CH3
  333500.1100  0.0070 -5.8353 3  225.8384472  595161404291713 0    291416 0      C-13-H3C(O)CH3
  333502.4875  0.0056 -6.1270 3   26.7938108  59516140413 211 3    12 112 3      C-13-H3C(O)CH3
  333502.4905  0.0056 -6.1270 3   26.7938108  59516140413 311 3    12 012 3      C-13-H3C(O)CH3
  333502.8273  0.0068 -6.1270 3   26.7938108  59516140413 211 4    12 112 4      C-13-H3C(O)CH3
  333502.8302  0.0068 -6.1270 3   26.7938108  59516140413 311 4    12 012 4      C-13-H3C(O)CH3
  333502.9068  0.0133 -5.2078 3  250.0231488  595161404302010 2    2921 8 2      C-13-H3C(O)CH3
  333504.2325  0.0073 -5.8370 3  225.8255472  595161404291713 1    291416 1      C-13-H3C(O)CH3
  333510.0635  0.0164 -6.3325 3  228.9890456  5951614042822 6 2    2819 9 2      C-13-H3C(O)CH3
  333521.5342  0.1479 -6.0311 3 1320.9928A48  5951614046557 8 2    6556 9 2      C-13-H3C(O)CH3
  333524.9750  0.0111 -6.0951 3  228.8853236  595161404291812 4    281910 4      C-13-H3C(O)CH3
  333531.7030  0.0155 -6.0086 3  515.2896712  595161404442322 1    432419 1      C-13-H3C(O)CH3
  333532.5333  0.0140 -5.2590 3  337.4569552  5951614043426 9 1    3327 7 1      C-13-H3C(O)CH3
  333551.9585  0.1414 -6.3322 3 1321.0064524  5951614046557 8 4    6556 9 4      C-13-H3C(O)CH3
  333553.9780  0.1921 -6.2872 3 1134.1952476  5951614045956 3 4    5955 4 4      C-13-H3C(O)CH3
  333557.3381  0.0093 -4.7676 3  513.4426396  595161404491139 4    49 940 4      C-13-H3C(O)CH3
  333557.3381  0.0093 -4.7676 3  513.4426396  595161404491039 4    491040 4      C-13-H3C(O)CH3
  333557.5726  0.0092 -4.8612 3  513.4427396  595161404491039 3    491040 3      C-13-H3C(O)CH3
  333557.5726  0.0092 -5.4669 3  513.4427396  595161404491039 3    49 940 3      C-13-H3C(O)CH3
  333557.5726  0.0092 -4.8612 3  513.4427396  595161404491139 3    49 940 3      C-13-H3C(O)CH3
  333557.5726  0.0092 -5.4669 3  513.4427396  595161404491139 3    491040 3      C-13-H3C(O)CH3
  333574.6094  0.0142 -5.2589 3  337.4743552  5951614043426 8 2    3327 7 2      C-13-H3C(O)CH3
  333578.0214  0.0221 -5.2065 3  977.1493A16  595161404632440 0    632341 0      C-13-H3C(O)CH3
  333578.0214  0.0221 -5.2065 3  977.1493A16  595161404632340 0    632241 0      C-13-H3C(O)CH3
  333578.0214  0.0221 -5.7212 3  977.1493A16  595161404632340 0    632341 0      C-13-H3C(O)CH3
  333578.0214  0.0221 -5.7212 3  977.1493A16  595161404632440 0    632241 0      C-13-H3C(O)CH3
  333582.0171  0.0093 -4.6324 3  513.4715792  595161404491039 2    49 940 2      C-13-H3C(O)CH3
  333582.0171  0.0093 -4.6324 3  513.4715792  595161404491139 2    491040 2      C-13-H3C(O)CH3
  333582.0171  0.0093 -4.9569 3  513.4715792  595161404491039 2    491040 2      C-13-H3C(O)CH3
  333582.0171  0.0093 -4.9569 3  513.4715792  595161404491139 2    49 940 2      C-13-H3C(O)CH3
  333583.0595  0.0095 -4.7159 3  513.4720792  595161404491039 1    49 940 1      C-13-H3C(O)CH3
  333583.0595  0.0095 -4.7159 3  513.4720792  595161404491139 1    491040 1      C-13-H3C(O)CH3
  333583.0595  0.0095 -4.8205 3  513.4720792  595161404491139 1    49 940 1      C-13-H3C(O)CH3
  333583.0595  0.0095 -4.8205 3  513.4720792  595161404491039 1    491040 1      C-13-H3C(O)CH3
  333592.7787  0.1317 -6.3321 3 1320.9805524  5951614046557 9 3    6556 9 3      C-13-H3C(O)CH3
  333595.0520  0.0151 -5.5597 3  337.4327276  5951614043426 9 3    3327 6 3      C-13-H3C(O)CH3
  333596.0107  0.1681 -6.0310 3 1320.9861A48  5951614046557 9 0    6556 9 0      C-13-H3C(O)CH3
  333596.0107  0.1681 -6.0310 3 1320.9861A48  5951614046557 8 0    655610 0      C-13-H3C(O)CH3
  333599.9640  0.0175 -5.7231 3  406.3348632  595161404392119 1    382216 1      C-13-H3C(O)CH3
  333606.0084  0.1669 -6.5334 3 1492.1228564  595161404705812 4    705713 4      C-13-H3C(O)CH3
  333607.4533  0.0072 -6.2857 3  513.5008792 -595161404491039 0    49 940 0      C-13-H3C(O)CH3
  333607.4775  0.0072 -5.1193 3  513.5008792  595161404491139 0    491040 0      C-13-H3C(O)CH3
  333607.4775  0.0072 -4.5725 3  513.5008792  595161404491139 0    49 940 0      C-13-H3C(O)CH3
  333607.4775  0.0072 -4.4706 3  513.5008792  595161404491039 0    491040 0      C-13-H3C(O)CH3
  333622.0879  0.0110 -5.0907 3  250.0198488  595161404302010 1    2921 8 1      C-13-H3C(O)CH3
  333624.3005  0.1557 -6.2872 3 1134.1935476  5951614045956 3 3    5955 4 3      C-13-H3C(O)CH3
  333626.8672  0.1387 -6.0310 3 1320.9997A48  5951614046557 8 1    6556 9 1      C-13-H3C(O)CH3
  333627.1277  0.0253 -5.6968 3  977.1567A16  595161404632340 1    632241 1      C-13-H3C(O)CH3
  333627.1277  0.0253 -5.2140 3  977.1567A16  595161404632340 1    632341 1      C-13-H3C(O)CH3
  333627.1277  0.0253 -5.6968 3  977.1567A16  595161404632440 1    632341 1      C-13-H3C(O)CH3
  333627.1277  0.0253 -5.2140 3  977.1567A16  595161404632440 1    632241 1      C-13-H3C(O)CH3
  333630.8716  0.0297 -5.0965 3  977.1572A16  595161404632340 2    632341 2      C-13-H3C(O)CH3
  333630.8716  0.0297 -5.0965 3  977.1572A16  595161404632440 2    632241 2      C-13-H3C(O)CH3
  333666.8105  0.1335 -6.0310 3 1320.9738A48  5951614046557 9 1    655610 1      C-13-H3C(O)CH3
  333671.2569  0.0102 -4.2363 3   95.9902156  5951614041913 7 4    1812 6 4      C-13-H3C(O)CH3
  333680.0648  0.0267 -5.4900 3  977.1646508  595161404632440 3    632241 3      C-13-H3C(O)CH3
  333680.0648  0.0267 -5.4626 3  977.1646508  595161404632440 3    632341 3      C-13-H3C(O)CH3
  333680.0648  0.0267 -6.0836 3  977.1646508  595161404632340 3    632241 3      C-13-H3C(O)CH3
  333680.0648  0.0267 -6.2117 3  977.1646508  595161404632340 3    632341 3      C-13-H3C(O)CH3
  333680.2010  0.0268 -5.3975 3  977.1646508  595161404632440 4    632341 4      C-13-H3C(O)CH3
  333680.2010  0.0268 -5.3975 3  977.1646508  595161404632340 4    632241 4      C-13-H3C(O)CH3
  333682.7434  0.0145 -5.7220 3  406.3557632  595161404392119 0    382216 0      C-13-H3C(O)CH3
  333683.1011  0.1427 -6.0309 3 1320.9629A48  5951614046557 9 2    655610 2      C-13-H3C(O)CH3
  333684.4016  0.0228 -6.0061 3  515.2815712  595161404442322 2    432419 2      C-13-H3C(O)CH3
  333688.7973  0.0034 -3.4730 3   86.6805280 -5951614041716 1 0    1615 2 0      C-13-H3C(O)CH3
  333688.7973  0.0034 -3.4730 3   86.6805280 -5951614041716 2 0    1615 1 0      C-13-H3C(O)CH3
  333705.2632  0.0214 -5.8378 3  349.5946568  595161404352510 1    352213 1      C-13-H3C(O)CH3
  333707.3246  0.1788 -6.2321 3 1492.1235B28  595161404705812 2    705713 2      C-13-H3C(O)CH3
  333708.5348  0.0165 -5.5587 3  337.4273276  5951614043426 9 4    3327 7 4      C-13-H3C(O)CH3
  333713.9922  0.1384 -6.3319 3 1320.9764524  5951614046557 8 3    655610 3      C-13-H3C(O)CH3
  333716.5463  0.0241 -6.3072 3  515.2606356  595161404442322 4    432419 4      C-13-H3C(O)CH3
  333720.8332  0.0242 -6.3072 3  515.2605356  595161404442322 3    432419 3      C-13-H3C(O)CH3
  333736.8687  0.0082 -4.8107 3  250.0344488  595161404302010 0    2921 9 0      C-13-H3C(O)CH3
  333745.6408  0.0711 -6.0039 3 1330.9667580  595161404723141 3    723042 3      C-13-H3C(O)CH3
  333745.6408  0.0711 -6.0039 3 1330.9667580  595161404723241 3    723142 3      C-13-H3C(O)CH3
  333745.6421  0.0711 -6.0040 3 1330.9667580  595161404723241 4    723142 4      C-13-H3C(O)CH3
  333745.6421  0.0711 -6.0039 3 1330.9667580  595161404723141 4    723042 4      C-13-H3C(O)CH3
  333752.6910  0.1770 -6.5331 3 1492.0884564  595161404705812 3    705713 3      C-13-H3C(O)CH3
  333753.9543  0.1547 -6.3319 3 1320.9505524  5951614046557 9 4    655610 4      C-13-H3C(O)CH3
  333757.8313  0.1715 -6.5331 3 1492.0810564  595161404705813 3    705714 3      C-13-H3C(O)CH3
  333759.6787  0.0315 -6.4914 3  349.5670284  595161404352511 4    352213 4      C-13-H3C(O)CH3
  333759.9222  0.0699 -5.7029 3 1330.9462B60  595161404723241 1    723142 1      C-13-H3C(O)CH3
  333759.9222  0.0699 -5.7028 3 1330.9462B60  595161404723141 1    723042 1      C-13-H3C(O)CH3
  333763.9899  0.0714 -5.7061 3 1330.9485B60  595161404723141 2    723042 2      C-13-H3C(O)CH3
  333763.9899  0.0714 -5.7039 3 1330.9485B60  595161404723241 2    723142 2      C-13-H3C(O)CH3
  333770.0153  0.0165 -5.5600 3  337.4322276  5951614043426 8 4    3327 6 4      C-13-H3C(O)CH3
  333778.2908  0.0705 -5.7037 3 1330.9280B60  595161404723241 0    723142 0      C-13-H3C(O)CH3
  333778.2908  0.0705 -5.7052 3 1330.9280B60  595161404723141 0    723042 0      C-13-H3C(O)CH3
  333782.4139  0.2822 -6.7909 3 1916.5642D68  595161404854243 2    854144 2      C-13-H3C(O)CH3
  333782.4259  0.2822 -6.7909 3 1916.5642D68  595161404854343 2    854244 2      C-13-H3C(O)CH3
  333782.8816  0.1628 -6.2320 3 1492.1198B28  595161404705812 1    705713 1      C-13-H3C(O)CH3
  333784.8977  0.2994 -6.7906 3 1916.5620D68  595161404854243 1    854144 1      C-13-H3C(O)CH3
  333784.9144  0.2994 -6.7906 3 1916.5620D68  595161404854343 1    854244 1      C-13-H3C(O)CH3
  333785.1991  0.0340 -6.7533 3  821.1948904  595161404562630 0    552927 0      C-13-H3C(O)CH3
  333787.0900  0.0339 -6.5080 3  349.5675284  595161404352511 3    352213 3      C-13-H3C(O)CH3
  333801.0468  0.0340 -6.7533 3  821.1943904  595161404562730 0    552827 0      C-13-H3C(O)CH3
  333807.8303  0.3021 -6.7906 3 1916.5660D68  595161404854243 0    854144 0      C-13-H3C(O)CH3
  333807.8442  0.3021 -6.7906 3 1916.5660D68  595161404854343 0    854244 0      C-13-H3C(O)CH3
  333811.0082  0.0375 -6.7523 3  821.1964904  595161404562630 1    552927 1      C-13-H3C(O)CH3
  333818.9658  0.0424 -6.7516 3  821.1963904  595161404562630 2    552927 2      C-13-H3C(O)CH3
  333820.4669  0.0429 -6.6728 3  512.0185648  5951614044037 3 1    3938 1 1      C-13-H3C(O)CH3
  333828.1469  0.0374 -6.7523 3  821.1958904  595161404562730 1    552827 1      C-13-H3C(O)CH3
  333833.6282  0.0222 -6.0212 3  406.2988316  595161404392119 4    382216 4      C-13-H3C(O)CH3
  333836.0354  0.0426 -6.7515 3  821.1957904  595161404562730 2    552827 2      C-13-H3C(O)CH3
  333839.8435  0.1133 -6.5771 3  620.6604760  595161404473117 2    472819 2      C-13-H3C(O)CH3
  333841.9156  0.0235 -6.0211 3  406.2986316  595161404392119 3    382216 3      C-13-H3C(O)CH3
  333856.1196  0.1501 -6.5618 3 1635.3978636  595161404793742 4    793643 4      C-13-H3C(O)CH3
  333856.1199  0.1501 -6.5618 3 1635.3978636  595161404793842 4    793743 4      C-13-H3C(O)CH3
  333856.1854  0.1501 -6.5618 3 1635.3978636  595161404793742 3    793643 3      C-13-H3C(O)CH3
  333856.1858  0.1501 -6.5618 3 1635.3978636  595161404793842 3    793743 3      C-13-H3C(O)CH3
  333858.9449  0.1720 -6.2318 3 1492.0817B28  595161404705813 2    705714 2      C-13-H3C(O)CH3
  333878.7020  0.0074 -5.8244 3   26.7206216  59516140413 211 2    12 112 2      C-13-H3C(O)CH3
  333878.7051  0.0074 -5.8244 3   26.7206216  59516140413 311 2    12 012 2      C-13-H3C(O)CH3
  333878.7591  0.0199 -5.6988 3  354.5063584  595161404362115 2    361818 2      C-13-H3C(O)CH3
  333880.9793  0.0072 -5.8246 3   26.7211216  59516140413 211 1    12 112 1      C-13-H3C(O)CH3
  333880.9822  0.0072 -5.8246 3   26.7211216  59516140413 311 1    12 012 1      C-13-H3C(O)CH3
  333882.1959  0.0145 -5.5590 3  337.4269276  5951614043426 8 3    3327 7 3      C-13-H3C(O)CH3
  333883.6701  0.1882 -6.2318 3 1492.1205B28  595161404705813 0    705714 0      C-13-H3C(O)CH3
  333883.6701  0.1882 -6.2318 3 1492.1205B28  595161404705812 0    705713 0      C-13-H3C(O)CH3
  333890.6687  0.1696 -6.2607 3 1635.3865C72  595161404793742 1    793643 1      C-13-H3C(O)CH3
  333890.6691  0.1696 -6.2607 3 1635.3865C72  595161404793842 1    793743 1      C-13-H3C(O)CH3
  333891.0023  0.1589 -6.2611 3 1635.3896C72  595161404793742 2    793643 2      C-13-H3C(O)CH3
  333891.0025  0.1589 -6.2611 3 1635.3896C72  595161404793842 2    793743 2      C-13-H3C(O)CH3
  333897.2074  0.0154 -5.4784 3  249.9911244  595161404302010 3    2921 8 3      C-13-H3C(O)CH3
  333904.0371  0.1999 -6.5328 3 1492.0466564  595161404705813 4    705714 4      C-13-H3C(O)CH3
  333924.6115  0.0205 -5.7190 3  406.3195632  595161404392119 2    382216 2      C-13-H3C(O)CH3
  333925.4383  0.1717 -6.2606 3 1635.3784C72  595161404793742 0    793643 0      C-13-H3C(O)CH3
  333925.4386  0.1717 -6.2606 3 1635.3784C72  595161404793842 0    793743 0      C-13-H3C(O)CH3
  333929.0243  0.1633 -6.2317 3 1492.0854B28  595161404705813 1    705714 1      C-13-H3C(O)CH3
  333974.8534  0.0090 -4.9960 3  483.9009388  595161404481039 4    48 940 4      C-13-H3C(O)CH3
  333974.8534  0.0090 -5.1038 3  483.9009388  595161404481039 4    48 840 4      C-13-H3C(O)CH3
  333974.8534  0.0090 -5.1038 3  483.9009388  59516140448 939 4    48 940 4      C-13-H3C(O)CH3
  333974.8534  0.0090 -4.9960 3  483.9009388  59516140448 939 4    48 840 4      C-13-H3C(O)CH3
  333975.1488  0.0089 -5.8051 3  483.9009388  595161404481039 3    48 840 3      C-13-H3C(O)CH3
  333975.1488  0.0089 -4.7851 3  483.9009388  595161404481039 3    48 940 3      C-13-H3C(O)CH3
  333975.1488  0.0089 -5.8051 3  483.9009388  59516140448 939 3    48 940 3      C-13-H3C(O)CH3
  333975.1488  0.0089 -4.7851 3  483.9009388  59516140448 939 3    48 840 3      C-13-H3C(O)CH3
  333975.6054  0.0143 -5.0319 3  250.0074488  595161404302010 2    2921 9 2      C-13-H3C(O)CH3
  334027.9096  0.0109 -6.6267 3  159.9997392  5951614042417 7 1    241212 1      C-13-H3C(O)CH3
  334034.5655  0.0091 -4.5190 3  483.9273776  59516140448 939 2    48 940 2      C-13-H3C(O)CH3
  334034.5655  0.0091 -4.5190 3  483.9273776  595161404481039 2    48 840 2      C-13-H3C(O)CH3
  334034.6061  0.0091 -5.2455 3  483.9273776 -59516140448 939 2    48 840 2      C-13-H3C(O)CH3
  334034.6061  0.0091 -5.2455 3  483.9273776 -595161404481039 2    48 940 2      C-13-H3C(O)CH3
  334035.4348  0.0187 -5.8041 3  349.6116568  595161404352510 0    352213 0      C-13-H3C(O)CH3
  334035.6454  0.0093 -5.6008 3  483.9278776  595161404481039 1    48 840 1      C-13-H3C(O)CH3
  334035.6454  0.0093 -5.6008 3  483.9278776  59516140448 939 1    48 940 1      C-13-H3C(O)CH3
  334035.7382  0.0093 -4.4758 3  483.9278776 -59516140448 939 1    48 840 1      C-13-H3C(O)CH3
  334035.7382  0.0093 -4.4758 3  483.9278776 -595161404481039 1    48 940 1      C-13-H3C(O)CH3
  334046.4825  0.0232 -6.0000 3  354.4824292  595161404362115 3    361818 3      C-13-H3C(O)CH3
  334052.9864  0.0224 -6.0000 3  354.4824292  595161404362115 4    361818 4      C-13-H3C(O)CH3
  334068.9313  0.0149 -5.6993 3  354.5348584  595161404362115 0    361818 0      C-13-H3C(O)CH3
  334072.9859  0.0429 -6.6727 3  511.9895648  5951614044037 3 2    3938 1 2      C-13-H3C(O)CH3
  334084.7706  0.0083 -6.4833 3  159.9967392  5951614042417 7 0    241212 0      C-13-H3C(O)CH3
  334085.5464  0.0988 -5.7377 3  673.3717792  595161404493217 0    492920 0      C-13-H3C(O)CH3
  334094.8178  0.0075 -4.4442 3  483.9541776 -595161404481039 0    48 940 0      C-13-H3C(O)CH3
  334094.8178  0.0075 -4.4707 3  483.9541776 -59516140448 939 0    48 840 0      C-13-H3C(O)CH3
  334094.9826  0.0075 -5.6716 3  483.9541776  59516140448 939 0    48 940 0      C-13-H3C(O)CH3
  334108.5315  0.1623 -6.0495 3 1106.5485936  5951614045856 2 0    5855 3 0      C-13-H3C(O)CH3
  334108.5315  0.1623 -6.0495 3 1106.5485936  5951614045856 3 0    5855 4 0      C-13-H3C(O)CH3
  334115.6562  0.0262 -6.1974 3  349.5843568  595161404352511 2    352213 2      C-13-H3C(O)CH3
  334122.1876  0.1496 -6.0497 3 1106.5779936  5951614045856 3 1    5855 4 1      C-13-H3C(O)CH3
  334132.7807  0.0108 -6.5944 3  159.9948392  5951614042417 7 2    241212 2      C-13-H3C(O)CH3
  334151.6758  0.0380 -6.6710 3  511.9913648  5951614044037 3 0    3938 2 0      C-13-H3C(O)CH3
  334151.6758  0.0380 -6.6710 3  511.9913648  5951614044037 4 0    3938 1 0      C-13-H3C(O)CH3
  334164.3437  0.0181 -4.5284 3   89.2695148  5951614041814 5 3    1713 4 3      C-13-H3C(O)CH3
  334173.4186  0.0345 -6.3243 3  349.5675284  595161404352510 3    352213 3      C-13-H3C(O)CH3
  334189.3398  0.1046 -6.6512 3  620.6375380  595161404473117 4    472819 4      C-13-H3C(O)CH3
  334196.4933  0.0187 -6.5190 3  228.8853228  5951614042822 7 4    281910 4      C-13-H3C(O)CH3
  334206.2964  0.0453 -6.6719 3  511.9465648  5951614044037 4 1    3938 2 1      C-13-H3C(O)CH3
  334218.4515  0.0321 -6.2892 3  478.7724632  5951614043935 4 1    3836 2 1      C-13-H3C(O)CH3
  334230.9451  0.0370 -6.3351 3  349.5670284  595161404352510 4    352213 4      C-13-H3C(O)CH3
  334235.3304  0.0179 -5.6996 3  354.5109584  595161404362115 1    361818 1      C-13-H3C(O)CH3
  334256.3597  0.0076 -5.8229 3   26.6480216  59516140413 211 0    12 112 0      C-13-H3C(O)CH3
  334256.3628  0.0076 -5.8229 3   26.6480216  59516140413 311 0    12 012 0      C-13-H3C(O)CH3
  334300.2936  0.0185 -5.3528 3  249.9776244  595161404302010 3    2921 9 3      C-13-H3C(O)CH3
  334303.3591  0.0373 -6.5913 3  478.7590316  5951614043935 4 4    3836 2 4      C-13-H3C(O)CH3
  334322.5099  0.1655 -6.0494 3 1106.5959936  5951614045856 2 1    5855 3 1      C-13-H3C(O)CH3
  334354.1865  0.1854 -6.0492 3 1106.5722936  5951614045856 3 2    5855 4 2      C-13-H3C(O)CH3
  334359.4674  0.0722 -5.7263 3  620.6962760  595161404473116 0    472819 0      C-13-H3C(O)CH3
  334363.7297  0.0090 -6.5080 3  454.9488380  59516140447 939 4    47 840 4      C-13-H3C(O)CH3
  334363.7297  0.0090 -6.5080 3  454.9488380  59516140447 839 4    47 740 4      C-13-H3C(O)CH3
  334363.7297  0.0090 -4.7399 3  454.9488380  59516140447 939 4    47 740 4      C-13-H3C(O)CH3
  334363.7297  0.0090 -4.7399 3  454.9488380  59516140447 839 4    47 840 4      C-13-H3C(O)CH3
  334364.0738  0.0088 -4.9210 3  454.9488380  59516140447 939 3    47 840 3      C-13-H3C(O)CH3
  334364.0738  0.0088 -5.1860 3  454.9488380  59516140447 839 3    47 840 3      C-13-H3C(O)CH3
  334364.0738  0.0088 -4.9210 3  454.9488380  59516140447 839 3    47 740 3      C-13-H3C(O)CH3
  334364.0738  0.0088 -5.1860 3  454.9488380  59516140447 939 3    47 740 3      C-13-H3C(O)CH3
  334368.8902  0.1752 -6.3504 3 1106.6017468  5951614045856 3 3    5855 4 3      C-13-H3C(O)CH3
  334373.7285  0.0063 -6.8278 3  107.7253172  59516140421 912 3    21 615 3      C-13-H3C(O)CH3
  334374.2456  0.0083 -6.8279 3  107.7253172  59516140421 912 4    21 615 4      C-13-H3C(O)CH3
  334383.4086  0.1514 -6.0493 3 1106.5762936  5951614045856 2 2    5855 3 2      C-13-H3C(O)CH3
  334391.5812  0.2523 -6.7520 3 1640.1804596  595161404745915 4    745816 4      C-13-H3C(O)CH3
  334397.7344  0.1680 -6.3505 3 1106.6057468  5951614045856 3 4    5855 4 4      C-13-H3C(O)CH3
  334401.0778  0.0020 -5.5947 3  176.8433236 -59516140429 623 4    28 722 4      C-13-H3C(O)CH3
  334401.0778  0.0020 -5.6221 3  176.8433236 -59516140429 623 3    28 722 3      C-13-H3C(O)CH3
  334401.0778  0.0020 -3.7993 3  176.8433236 -59516140429 723 3    28 722 3      C-13-H3C(O)CH3
  334401.0778  0.0020 -3.7998 3  176.8433236 -59516140429 723 4    28 722 4      C-13-H3C(O)CH3
  334401.0859  0.0020 -3.7998 3  176.8433236  59516140429 623 4    28 622 4      C-13-H3C(O)CH3
  334401.0859  0.0020 -5.5947 3  176.8433236  59516140429 723 4    28 622 4      C-13-H3C(O)CH3
  334401.1044  0.0020 -5.6221 3  176.8433236  59516140429 723 3    28 622 3      C-13-H3C(O)CH3
  334401.1044  0.0020 -3.7993 3  176.8433236  59516140429 623 3    28 622 3      C-13-H3C(O)CH3
  334409.3533  0.0063 -6.8278 3  107.7253172  595161404211012 3    21 715 3      C-13-H3C(O)CH3
  334409.6146  0.0083 -6.8278 3  107.7253172  595161404211012 4    21 715 4      C-13-H3C(O)CH3
  334431.8133  0.0203 -5.7432 3  939.4530A00  595161404622240 0    622141 0      C-13-H3C(O)CH3
  334431.8133  0.0203 -5.1211 3  939.4530A00  595161404622340 0    622141 0      C-13-H3C(O)CH3
  334431.8133  0.0203 -5.7432 3  939.4530A00  595161404622340 0    622241 0      C-13-H3C(O)CH3
  334431.8133  0.0203 -5.1211 3  939.4530A00  595161404622240 0    622241 0      C-13-H3C(O)CH3
  334442.6582  0.0305 -6.2877 3  478.7629632  5951614043935 5 0    3836 2 0      C-13-H3C(O)CH3
  334442.6582  0.0305 -6.2877 3  478.7629632  5951614043935 4 0    3836 3 0      C-13-H3C(O)CH3
  334453.8211  0.0053 -4.1257 3   95.9817156  5951614041913 7 3    1812 6 3      C-13-H3C(O)CH3
  334456.4781  0.0058 -3.8608 3   95.9645312  5951614041913 7 1    1812 6 1      C-13-H3C(O)CH3
  334456.6748  0.0037 -4.0661 3   89.2695148  5951614041814 4 3    1713 4 3      C-13-H3C(O)CH3
  334457.2136  0.0024 -3.4929 3  176.8339472 -59516140429 623 1    28 622 1      C-13-H3C(O)CH3
  334457.2136  0.0024 -3.4939 3  176.8339472 -59516140429 723 1    28 722 1      C-13-H3C(O)CH3
  334457.3188  0.0024 -5.7862 3  176.8339472  59516140429 623 1    28 722 1      C-13-H3C(O)CH3
  334457.3188  0.0024 -6.0727 3  176.8339472  59516140429 723 1    28 622 1      C-13-H3C(O)CH3
  334458.1389  0.0023 -5.2418 3  176.8330472  59516140429 723 2    28 722 2      C-13-H3C(O)CH3
  334458.1389  0.0023 -3.4996 3  176.8330472  59516140429 623 2    28 722 2      C-13-H3C(O)CH3
  334458.1728  0.0023 -3.4996 3  176.8330472 -59516140429 723 2    28 622 2      C-13-H3C(O)CH3
  334458.1728  0.0023 -5.2418 3  176.8330472 -59516140429 623 2    28 622 2      C-13-H3C(O)CH3
  334464.8532  0.0089 -6.1548 3  454.9710760 -59516140447 839 2    47 740 2      C-13-H3C(O)CH3
  334464.8899  0.0089 -4.4395 3  454.9710760  59516140447 939 2    47 740 2      C-13-H3C(O)CH3
  334464.8899  0.0089 -6.1548 3  454.9710760  59516140447 939 2    47 840 2      C-13-H3C(O)CH3
  334464.8899  0.0089 -4.4395 3  454.9710760  59516140447 839 2    47 840 2      C-13-H3C(O)CH3
  334465.9549  0.0090 -6.2889 3  454.9715760  59516140447 939 1    47 740 1      C-13-H3C(O)CH3
  334465.9549  0.0090 -4.4373 3  454.9715760  59516140447 839 1    47 740 1      C-13-H3C(O)CH3
  334466.0782  0.0090 -4.4373 3  454.9715760 -59516140447 939 1    47 840 1      C-13-H3C(O)CH3
  334466.0782  0.0090 -6.2889 3  454.9715760 -59516140447 839 1    47 840 1      C-13-H3C(O)CH3
  334475.0956  0.0131 -5.1320 3  249.9914488  595161404302010 1    2921 9 1      C-13-H3C(O)CH3
  334489.4043  0.0235 -5.1736 3  939.4572A00  595161404622340 1    622241 1      C-13-H3C(O)CH3
  334489.4043  0.0235 -5.5731 3  939.4572A00  595161404622240 1    622241 1      C-13-H3C(O)CH3
  334489.4043  0.0235 -5.5731 3  939.4572A00  595161404622340 1    622141 1      C-13-H3C(O)CH3
  334489.4043  0.0235 -5.1736 3  939.4572A00  595161404622240 1    622141 1      C-13-H3C(O)CH3
  334492.7535  0.0273 -5.0969 3  939.4575A00  595161404622340 2    622241 2      C-13-H3C(O)CH3
  334492.7535  0.0273 -5.0969 3  939.4575A00  595161404622240 2    622141 2      C-13-H3C(O)CH3
  334492.7535  0.0273 -5.8609 3  939.4575A00  595161404622240 2    622241 2      C-13-H3C(O)CH3
  334492.7535  0.0273 -5.8609 3  939.4575A00  595161404622340 2    622141 2      C-13-H3C(O)CH3
  334499.1569  0.0025 -3.9373 3   89.3309148  5951614041814 4 4    1713 4 4      C-13-H3C(O)CH3
  334501.6425  0.0029 -3.9384 3   89.1955148  5951614041814 5 4    1713 5 4      C-13-H3C(O)CH3
  334512.9693  0.2214 -6.7517 3 1640.1385596  595161404745916 3    745817 3      C-13-H3C(O)CH3
  334514.2128  0.0020 -3.6284 3  176.8236472 -59516140429 723 0    28 622 0      C-13-H3C(O)CH3
  334514.2128  0.0020 -3.6284 3  176.8236472 -59516140429 623 0    28 722 0      C-13-H3C(O)CH3
  334514.2242  0.0020 -4.0601 3  176.8236472  59516140429 723 0    28 722 0      C-13-H3C(O)CH3
  334514.2242  0.0020 -4.0601 3  176.8236472  59516140429 623 0    28 622 0      C-13-H3C(O)CH3
  334527.1549  0.0318 -6.2887 3  478.7496632  5951614043935 4 2    3836 2 2      C-13-H3C(O)CH3
  334542.6626  0.0039 -4.0656 3   89.2569148  5951614041814 5 3    1713 5 3      C-13-H3C(O)CH3
  334545.6777  0.0296 -6.0308 3  349.5843568  595161404352510 2    352213 2      C-13-H3C(O)CH3
  334550.4375  0.0240 -5.4138 3  939.4616500  595161404622340 3    622141 3      C-13-H3C(O)CH3
  334550.4375  0.0240 -6.0787 3  939.4616500  595161404622240 3    622141 3      C-13-H3C(O)CH3
  334550.4375  0.0240 -6.0787 3  939.4616500  595161404622340 3    622241 3      C-13-H3C(O)CH3
  334550.4375  0.0240 -5.4138 3  939.4616500  595161404622240 3    622241 3      C-13-H3C(O)CH3
  334550.5849  0.0241 -5.3321 3  939.4616500  595161404622240 4    622241 4      C-13-H3C(O)CH3
  334550.5849  0.0241 -5.3321 3  939.4616500  595161404622340 4    622141 4      C-13-H3C(O)CH3
  334566.6233  0.0077 -4.4313 3  454.9938760  59516140447 839 0    47 840 0      C-13-H3C(O)CH3
  334566.6233  0.0077 -4.4313 3  454.9938760  59516140447 939 0    47 740 0      C-13-H3C(O)CH3
  334570.1472  0.2125 -6.3501 3 1106.6196468  5951614045856 2 4    5855 3 4      C-13-H3C(O)CH3
  334575.4726  0.2399 -6.4507 3 1640.1882B92  595161404745915 2    745816 2      C-13-H3C(O)CH3
  334582.4252  0.2569 -6.7516 3 1640.1417596  595161404745915 3    745816 3      C-13-H3C(O)CH3
  334585.7859  0.2074 -6.4507 3 1640.1812B92  595161404745915 1    745816 1      C-13-H3C(O)CH3
  334592.0074  0.0429 -6.6704 3  511.9341648  5951614044037 4 2    3938 2 2      C-13-H3C(O)CH3
  334599.2125  0.1687 -6.3501 3 1106.6236468  5951614045856 2 3    5855 3 3      C-13-H3C(O)CH3
  334605.1225  0.2842 -6.7027 3 1796.2497C56  595161404786018 1    785919 1      C-13-H3C(O)CH3
  334606.0764  0.0357 -6.2881 3  478.7094632  5951614043935 5 1    3836 3 1      C-13-H3C(O)CH3
  334645.6587  0.0464 -6.5699 3  570.1198728  595161404453016 1    452718 1      C-13-H3C(O)CH3
  334663.8158  0.0062 -6.5235 3  107.7000344  59516140421 912 2    21 615 2      C-13-H3C(O)CH3
  334671.6985  0.0055 -3.8467 3   95.9602312 -5951614041913 7 2    1812 6 2      C-13-H3C(O)CH3
  334676.0025  0.3319 -6.7026 3 1796.2546C56  595161404786018 2    785919 2      C-13-H3C(O)CH3
  334690.9504  0.0376 -6.5902 3  478.6962316  5951614043935 5 3    3836 3 3      C-13-H3C(O)CH3
  334695.3191  0.0024 -3.6376 3   89.2871296 -5951614041814 4 1    1713 4 1      C-13-H3C(O)CH3
  334695.5538  0.0376 -6.5891 3  478.7178316  5951614043935 4 3    3836 2 3      C-13-H3C(O)CH3
  334696.8158  0.2005 -6.4504 3 1640.1463B92  595161404745916 2    745817 2      C-13-H3C(O)CH3
  334700.7273  0.0062 -6.5235 3  107.7000344  595161404211012 2    21 715 2      C-13-H3C(O)CH3
  334703.6108  0.2492 -6.7513 3 1640.0998596  595161404745916 4    745817 4      C-13-H3C(O)CH3
  334705.0584  0.0062 -6.5239 3  107.7011344  59516140421 912 1    21 615 1      C-13-H3C(O)CH3
  334709.6498  0.0025 -3.6380 3   89.2145296 -5951614041814 5 1    1713 5 1      C-13-H3C(O)CH3
  334724.7939  0.0095 -5.3475 3  426.5872372  59516140446 839 4    46 740 4      C-13-H3C(O)CH3
  334724.7939  0.0095 -4.8467 3  426.5872372  59516140446 839 4    46 640 4      C-13-H3C(O)CH3
  334724.7939  0.0095 -4.8467 3  426.5872372  59516140446 739 4    46 740 4      C-13-H3C(O)CH3
  334724.7939  0.0095 -5.3475 3  426.5872372  59516140446 739 4    46 640 4      C-13-H3C(O)CH3
  334725.1647  0.0091 -4.9300 3  426.5872372  59516140446 839 3    46 640 3      C-13-H3C(O)CH3
  334725.1647  0.0091 -5.1563 3  426.5872372  59516140446 839 3    46 740 3      C-13-H3C(O)CH3
  334725.1647  0.0091 -5.1563 3  426.5872372  59516140446 739 3    46 640 3      C-13-H3C(O)CH3
  334725.1647  0.0091 -4.9300 3  426.5872372  59516140446 739 3    46 740 3      C-13-H3C(O)CH3
  334740.7724  0.0062 -6.5238 3  107.7011344  595161404211012 1    21 715 1      C-13-H3C(O)CH3
  334744.2049  0.0026 -3.6378 3   89.2875296 -5951614041814 4 2    1713 4 2      C-13-H3C(O)CH3
  334745.8386  0.0189 -6.6200 3  228.8915228  5951614042822 7 3    281910 3      C-13-H3C(O)CH3
  334749.8836  0.0024 -3.6384 3   89.2243296 -5951614041814 5 2    1713 5 2      C-13-H3C(O)CH3
  334763.6387  0.2422 -6.7024 3 1796.2193C56  595161404786019 2    785920 2      C-13-H3C(O)CH3
  334768.2999  0.0076 -5.9691 3   41.8360216  5951614041310 4 1    12 7 6 1      C-13-H3C(O)CH3
  334769.0440  0.0142 -6.2613 3  228.9062456  5951614042822 7 1    281910 1      C-13-H3C(O)CH3
  334769.4104  0.2025 -6.4503 3 1640.1891B92  595161404745916 0    745817 0      C-13-H3C(O)CH3
  334769.4104  0.2025 -6.4503 3 1640.1891B92  595161404745915 0    745816 0      C-13-H3C(O)CH3
  334776.4445  0.2067 -6.4503 3 1640.1425B92  595161404745916 1    745817 1      C-13-H3C(O)CH3
  334778.9781  0.0223 -5.4739 3  249.9624244  595161404302010 4    2921 9 4      C-13-H3C(O)CH3
  334782.6836  0.0023 -3.6340 3   89.2474296 -5951614041814 5 0    1713 4 0      C-13-H3C(O)CH3
  334797.3073  0.1515 -6.0139 3 1290.4582A32  5951614046457 7 2    6456 8 2      C-13-H3C(O)CH3
  334806.9047  0.2728 -6.7023 3 1796.2095C56  595161404786019 1    785920 1      C-13-H3C(O)CH3
  334816.4244  0.0100 -6.0913 3   37.7060200  5951614041211 2 0    11 8 3 0      C-13-H3C(O)CH3
  334828.5853  0.1684 -6.0139 3 1290.4507A32  5951614046457 8 0    6456 9 0      C-13-H3C(O)CH3
  334828.5853  0.1684 -6.0139 3 1290.4507A32  5951614046457 7 0    6456 8 0      C-13-H3C(O)CH3
  334834.9936  0.0180 -4.5271 3   89.2569148  5951614041814 4 3    1713 5 3      C-13-H3C(O)CH3
  334849.7941  0.2377 -6.7023 3 1796.2608C56  595161404786019 0    785920 0      C-13-H3C(O)CH3
  334849.7941  0.2377 -6.7023 3 1796.2608C56  595161404786018 0    785919 0      C-13-H3C(O)CH3
  334853.3352  0.1310 -5.7596 3  728.1565824  595161404513318 0    513021 0      C-13-H3C(O)CH3
  334862.1586  0.1500 -6.3149 3 1290.4757516  5951614046457 7 4    6456 8 4      C-13-H3C(O)CH3
  334867.6636  0.1347 -6.3149 3 1290.4517516  5951614046457 8 3    6456 8 3      C-13-H3C(O)CH3
  334874.1211  0.0085 -4.4295 3  426.6036744 -59516140446 839 2    46 740 2      C-13-H3C(O)CH3
  334874.1211  0.0085 -4.4295 3  426.6036744 -59516140446 739 2    46 640 2      C-13-H3C(O)CH3
  334874.2100  0.0085 -6.5228 3  426.6036744  59516140446 839 2    46 640 2      C-13-H3C(O)CH3
  334874.2100  0.0085 -6.5228 3  426.6036744  59516140446 739 2    46 740 2      C-13-H3C(O)CH3
  334875.2170  0.0088 -4.5904 3  426.6041744  59516140446 739 1    46 740 1      C-13-H3C(O)CH3
  334875.2170  0.0088 -4.5904 3  426.6041744  59516140446 839 1    46 640 1      C-13-H3C(O)CH3
  334875.3748  0.0088 -4.9278 3  426.6041744 -59516140446 839 1    46 740 1      C-13-H3C(O)CH3
  334875.3748  0.0088 -4.9278 3  426.6041744 -59516140446 739 1    46 640 1      C-13-H3C(O)CH3
  334888.7494  0.0221 -6.8173 3  228.8915228  5951614042822 6 3    281910 3      C-13-H3C(O)CH3
  334893.6601  0.1413 -6.0138 3 1290.4684A32  5951614046457 7 1    6456 8 1      C-13-H3C(O)CH3
  334898.3377  0.1346 -6.0138 3 1290.4443A32  5951614046457 8 1    6456 9 1      C-13-H3C(O)CH3
  334918.5045  0.0334 -6.2866 3  478.7083632  5951614043935 5 2    3836 3 2      C-13-H3C(O)CH3
  334950.5753  0.1419 -6.0137 3 1290.4330A32  5951614046457 8 2    6456 9 2      C-13-H3C(O)CH3
  334965.6803  0.0077 -5.9141 3  208.4887456  595161404281513 2    281216 2      C-13-H3C(O)CH3
  334966.5378  0.1635 -6.1650 3 1079.4903920  5951614045756 2 1    5755 3 1      C-13-H3C(O)CH3
  334978.6315  0.1770 -6.1648 3 1079.4546920  5951614045756 1 0    5755 3 0      C-13-H3C(O)CH3
  334978.6315  0.1770 -6.1648 3 1079.4546920  5951614045756 2 0    5755 2 0      C-13-H3C(O)CH3
  334991.8397  0.0106 -6.2262 3   37.7604200  5951614041211 1 1    11 8 3 1      C-13-H3C(O)CH3
  334994.3787  0.0059 -6.5203 3  107.6759344  59516140421 912 0    21 615 0      C-13-H3C(O)CH3
  334999.3735  0.0107 -6.4510 3   37.6676100  5951614041211 2 4    11 8 4 4      C-13-H3C(O)CH3
  335003.0763  0.0250 -5.9860 3  446.8326616  5951614043833 5 1    3734 3 1      C-13-H3C(O)CH3
  335003.4934  0.0631 -5.9339 3 1288.1179572  595161404713141 3    713042 3      C-13-H3C(O)CH3
  335003.4934  0.0631 -5.9253 3 1288.1179572  595161404713041 3    712942 3      C-13-H3C(O)CH3
  335003.5100  0.0632 -5.9286 3 1288.1179572  595161404713041 4    712942 4      C-13-H3C(O)CH3
  335003.5100  0.0632 -5.9259 3 1288.1179572  595161404713141 4    713042 4      C-13-H3C(O)CH3
  335007.7199  0.0086 -5.9931 3   41.8347216  5951614041310 4 2    12 7 6 2      C-13-H3C(O)CH3
  335008.8297  0.0088 -6.2167 3  208.4791228  595161404281513 3    281216 3      C-13-H3C(O)CH3
  335011.4284  0.0601 -6.5759 3 1288.0972B44  595161404713041 1    712942 1      C-13-H3C(O)CH3
  335011.4284  0.0601 -5.6241 3 1288.0972B44  595161404713141 1    713042 1      C-13-H3C(O)CH3
  335011.4284  0.0601 -5.6758 3 1288.0972B44  595161404713141 1    712942 1      C-13-H3C(O)CH3
  335014.9978  0.0099 -6.2167 3  208.4792228  595161404281513 4    281216 4      C-13-H3C(O)CH3
  335015.8000  0.0630 -5.6277 3 1288.0993B44  595161404713041 2    712942 2      C-13-H3C(O)CH3
  335015.8000  0.0630 -5.6362 3 1288.0993B44  595161404713141 2    713042 2      C-13-H3C(O)CH3
  335015.8937  0.1401 -6.3147 3 1290.4506516  5951614046457 7 3    6456 9 3      C-13-H3C(O)CH3
  335020.4714  0.1534 -6.3147 3 1290.4266516  5951614046457 8 4    6456 9 4      C-13-H3C(O)CH3
  335023.7641  0.0603 -5.7186 3 1288.0786B44  595161404713141 0    712942 0      C-13-H3C(O)CH3
  335023.7641  0.0603 -6.3300 3 1288.0786B44  595161404713041 0    712942 0      C-13-H3C(O)CH3
  335023.7641  0.0603 -5.6448 3 1288.0786B44  595161404713141 0    713042 0      C-13-H3C(O)CH3
  335024.0275  0.0078 -4.5935 3  426.6204744  59516140446 739 0    46 740 0      C-13-H3C(O)CH3
  335024.0275  0.0078 -4.5935 3  426.6204744  59516140446 839 0    46 640 0      C-13-H3C(O)CH3
  335024.2781  0.0078 -4.9197 3  426.6204744 -59516140446 739 0    46 640 0      C-13-H3C(O)CH3
  335024.2781  0.0078 -4.9197 3  426.6204744 -59516140446 839 0    46 740 0      C-13-H3C(O)CH3
  335031.4811  0.0059 -6.5202 3  107.6759344  595161404211012 0    21 715 0      C-13-H3C(O)CH3
  335051.3358  0.0118 -6.4656 3   37.8229100  5951614041211 1 4    11 8 3 4      C-13-H3C(O)CH3
  335058.8517  0.0106 -4.8257 3  398.8173364  59516140445 639 4    45 640 4      C-13-H3C(O)CH3
  335058.8517  0.0106 -4.8257 3  398.8173364  59516140445 739 4    45 540 4      C-13-H3C(O)CH3
  335058.8517  0.0106 -5.4476 3  398.8173364  59516140445 639 4    45 540 4      C-13-H3C(O)CH3
  335058.8517  0.0106 -5.4476 3  398.8173364  59516140445 739 4    45 640 4      C-13-H3C(O)CH3
  335059.2148  0.0101 -4.9579 3  398.8172364  59516140445 639 3    45 640 3      C-13-H3C(O)CH3
  335059.2148  0.0101 -4.9579 3  398.8172364  59516140445 739 3    45 540 3      C-13-H3C(O)CH3
  335059.2148  0.0101 -5.1256 3  398.8172364  59516140445 639 3    45 540 3      C-13-H3C(O)CH3
  335059.2148  0.0101 -5.1256 3  398.8172364  59516140445 739 3    45 640 3      C-13-H3C(O)CH3
  335074.6569  0.0070 -5.9126 3  208.5012456  595161404281513 0    281216 0      C-13-H3C(O)CH3
  335079.6242  0.0429 -6.5880 3  478.6550316  5951614043935 5 4    3836 3 4      C-13-H3C(O)CH3
  335084.8349  0.0163 -6.3258 3  228.9119456  5951614042822 7 2    281910 2      C-13-H3C(O)CH3
  335090.0932  0.0033 -3.8187 3   95.9388312 -5951614041913 7 0    1812 6 0      C-13-H3C(O)CH3
  335114.3400  0.0023 -3.6334 3   89.2395296 -5951614041814 4 0    1713 5 0      C-13-H3C(O)CH3
  335114.8571  0.0252 -5.9848 3  446.8390616  5951614043833 6 0    3734 3 0      C-13-H3C(O)CH3
  335114.8571  0.0252 -5.9848 3  446.8390616  5951614043833 5 0    3734 4 0      C-13-H3C(O)CH3
  335119.2367  0.0078 -5.9144 3  208.4916456  595161404281513 1    281216 1      C-13-H3C(O)CH3
  335124.0467  0.0862 -6.3956 3  570.1057728  595161404453016 2    452718 2      C-13-H3C(O)CH3
  335129.2311  0.0938 -5.7617 3  673.3488792  595161404493217 1    492920 1      C-13-H3C(O)CH3
  335164.2040  0.0107 -6.2405 3   37.7588200  5951614041211 1 2    11 8 3 2      C-13-H3C(O)CH3
  335202.8977  0.1537 -6.4942 3 1459.1114556  595161404695811 4    695712 4      C-13-H3C(O)CH3
  335214.1728  0.1835 -6.1646 3 1079.5091920  5951614045756 1 1    5755 2 1      C-13-H3C(O)CH3
  335217.3539  0.0281 -6.2875 3  446.8116308  5951614043833 5 4    3734 3 4      C-13-H3C(O)CH3
  335225.6191  0.0523 -5.7233 3  570.1425728  595161404453015 0    452718 0      C-13-H3C(O)CH3
  335244.1043  0.0188 -5.5841 3  902.3315984  595161404612240 0    612141 0      C-13-H3C(O)CH3
  335244.1043  0.0188 -5.0879 3  902.3315984  595161404612240 0    612041 0      C-13-H3C(O)CH3
  335244.1043  0.0188 -5.5841 3  902.3315984  595161404612140 0    612041 0      C-13-H3C(O)CH3
  335244.1043  0.0188 -5.0879 3  902.3315984  595161404612140 0    612141 0      C-13-H3C(O)CH3
  335263.5789  0.1797 -6.4658 3 1079.5294460  5951614045756 2 4    5755 3 4      C-13-H3C(O)CH3
  335263.6782  0.0084 -4.4716 3  398.8257728 -59516140445 639 2    45 540 2      C-13-H3C(O)CH3
  335263.6782  0.0084 -4.4716 3  398.8257728 -59516140445 739 2    45 640 2      C-13-H3C(O)CH3
  335263.6891  0.0084 -5.4803 3  398.8257728  59516140445 639 2    45 640 2      C-13-H3C(O)CH3
  335263.6891  0.0084 -5.4803 3  398.8257728  59516140445 739 2    45 540 2      C-13-H3C(O)CH3
  335264.6071  0.0090 -5.8539 3  398.8262728  59516140445 639 1    45 540 1      C-13-H3C(O)CH3
  335264.6071  0.0090 -5.8539 3  398.8262728  59516140445 739 1    45 640 1      C-13-H3C(O)CH3
  335264.6071  0.0090 -4.4478 3  398.8262728  59516140445 739 1    45 540 1      C-13-H3C(O)CH3
  335264.6071  0.0090 -4.4478 3  398.8262728  59516140445 639 1    45 640 1      C-13-H3C(O)CH3
  335269.7922  0.1718 -6.1930 3 1459.1105B12  595161404695811 2    695712 2      C-13-H3C(O)CH3
  335274.9576  0.1654 -6.1645 3 1079.4937920  5951614045756 1 2    5755 2 2      C-13-H3C(O)CH3
  335283.7881  0.1930 -6.4656 3 1079.5200460  5951614045756 2 3    5755 3 3      C-13-H3C(O)CH3
  335294.9641  0.2071 -6.1643 3 1079.4842920  5951614045756 2 2    5755 3 2      C-13-H3C(O)CH3
  335299.4231  0.0842 -6.5466 3  570.0832364  595161404453016 4    452718 4      C-13-H3C(O)CH3
  335308.5629  0.0238 -6.4566 3  276.1986252  5951614043123 9 4    312012 4      C-13-H3C(O)CH3
  335309.4001  0.0219 -5.2871 3  902.3320984  595161404612240 1    612041 1      C-13-H3C(O)CH3
  335309.4001  0.0219 -5.2507 3  902.3320984  595161404612140 1    612041 1      C-13-H3C(O)CH3
  335309.4001  0.0219 -5.2871 3  902.3320984  595161404612140 1    612141 1      C-13-H3C(O)CH3
  335309.4001  0.0219 -5.2507 3  902.3320984  595161404612240 1    612141 1      C-13-H3C(O)CH3
  335312.3129  0.0249 -5.0066 3  902.3322984  595161404612140 2    612141 2      C-13-H3C(O)CH3
  335312.3129  0.0249 -6.0316 3  902.3322984  595161404612140 2    612041 2      C-13-H3C(O)CH3
  335312.3129  0.0249 -6.0316 3  902.3322984  595161404612240 2    612141 2      C-13-H3C(O)CH3
  335312.3129  0.0249 -5.0066 3  902.3322984  595161404612240 2    612041 2      C-13-H3C(O)CH3
  335321.8414  0.0714 -5.7682 3  620.6730760  595161404473116 1    472819 1      C-13-H3C(O)CH3
  335328.4852  0.0251 -5.9852 3  446.8181616  5951614043833 5 2    3734 3 2      C-13-H3C(O)CH3
  335329.1475  0.1624 -6.4940 3 1459.0795556  595161404695811 3    695712 3      C-13-H3C(O)CH3
  335333.6230  0.0727 -6.0050 3  665.1514396  595161404493019 3    492722 3      C-13-H3C(O)CH3
  335359.3563  0.0285 -5.9848 3  446.7813616  5951614043833 6 1    3734 4 1      C-13-H3C(O)CH3
  335360.1224  0.1594 -6.1929 3 1459.1089B12  595161404695811 1    695712 1      C-13-H3C(O)CH3
  335364.2039  0.1644 -6.4939 3 1459.0719556  595161404695812 3    695713 3      C-13-H3C(O)CH3
  335366.6953  0.0124 -5.6803 3  371.6399356  59516140444 539 4    44 540 4      C-13-H3C(O)CH3
  335366.6953  0.0124 -5.6803 3  371.6399356  59516140444 639 4    44 440 4      C-13-H3C(O)CH3
  335366.6953  0.0124 -4.8055 3  371.6399356  59516140444 639 4    44 540 4      C-13-H3C(O)CH3
  335366.6953  0.0124 -4.8055 3  371.6399356  59516140444 539 4    44 440 4      C-13-H3C(O)CH3
  335367.0007  0.0117 -6.6312 3  371.6399356  59516140444 539 3    44 440 3      C-13-H3C(O)CH3
  335367.0007  0.0117 -4.7569 3  371.6399356  59516140444 639 3    44 440 3      C-13-H3C(O)CH3
  335367.0007  0.0117 -4.7569 3  371.6399356  59516140444 539 3    44 540 3      C-13-H3C(O)CH3
  335367.0007  0.0117 -6.6312 3  371.6399356  59516140444 639 3    44 540 3      C-13-H3C(O)CH3
  335370.7468  0.0684 -6.0054 3  665.1515396  595161404493019 4    492722 4      C-13-H3C(O)CH3
  335377.7072  0.0218 -5.2689 3  902.3327492  595161404612140 3    612141 3      C-13-H3C(O)CH3
  335377.7072  0.0218 -5.2689 3  902.3327492  595161404612240 3    612041 3      C-13-H3C(O)CH3
  335377.8622  0.0219 -5.2743 3  902.3327492  595161404612240 4    612041 4      C-13-H3C(O)CH3
  335377.8622  0.0219 -5.2794 3  902.3327492  595161404612140 4    612141 4      C-13-H3C(O)CH3
  335377.8622  0.0219 -6.8651 3  902.3327492  595161404612140 4    612041 4      C-13-H3C(O)CH3
  335426.4566  0.1941 -6.1928 3 1459.1080B12  595161404695811 0    695713 0      C-13-H3C(O)CH3
  335426.4566  0.1941 -6.1928 3 1459.1080B12  595161404695812 0    695712 0      C-13-H3C(O)CH3
  335430.8302  0.1710 -6.1927 3 1459.0710B12  595161404695812 2    695713 2      C-13-H3C(O)CH3
  335456.4819  0.0020 -5.8091 3  181.3659244 -59516140430 625 3    29 624 3      C-13-H3C(O)CH3
  335456.4819  0.0021 -5.5372 3  181.3660244 -59516140430 525 4    29 624 4      C-13-H3C(O)CH3
  335456.4819  0.0021 -3.7643 3  181.3660244 -59516140430 625 4    29 624 4      C-13-H3C(O)CH3
  335456.4819  0.0020 -5.8091 3  181.3659244 -59516140430 525 3    29 524 3      C-13-H3C(O)CH3
  335456.4985  0.0021 -5.5372 3  181.3660244  59516140430 625 4    29 524 4      C-13-H3C(O)CH3
  335456.4985  0.0021 -3.7643 3  181.3660244  59516140430 525 4    29 524 4      C-13-H3C(O)CH3
  335456.5043  0.0020 -3.7609 3  181.3659244  59516140430 625 3    29 524 3      C-13-H3C(O)CH3
  335456.5043  0.0020 -3.7609 3  181.3659244  59516140430 525 3    29 624 3      C-13-H3C(O)CH3
  335464.0760  0.0293 -6.2857 3  446.7832308  5951614043833 5 3    3734 3 3      C-13-H3C(O)CH3
  335468.7362  0.0080 -4.4538 3  398.8346728  59516140445 639 0    45 540 0      C-13-H3C(O)CH3
  335468.7362  0.0080 -4.4538 3  398.8346728  59516140445 739 0    45 640 0      C-13-H3C(O)CH3
  335468.7362  0.0080 -5.7089 3  398.8346728  59516140445 739 0    45 540 0      C-13-H3C(O)CH3
  335468.7362  0.0080 -5.7089 3  398.8346728  59516140445 639 0    45 640 0      C-13-H3C(O)CH3
  335479.7780  0.0151 -6.1504 3  276.2192504  5951614043123 9 1    312012 1      C-13-H3C(O)CH3
  335485.7161  0.1596 -6.1927 3 1459.0771B12  595161404695812 1    695713 1      C-13-H3C(O)CH3
  335489.8691  0.1910 -6.4937 3 1459.0401556  595161404695812 4    695713 4      C-13-H3C(O)CH3
  335490.2820  0.1337 -6.4720 3 1588.6005628  595161404783642 4    783543 4      C-13-H3C(O)CH3
  335490.2821  0.1337 -6.4720 3 1588.6005628  595161404783742 4    783643 4      C-13-H3C(O)CH3
  335490.3414  0.1338 -6.4720 3 1588.6005628  595161404783642 3    783543 3      C-13-H3C(O)CH3
  335490.3415  0.1338 -6.4720 3 1588.6005628  595161404783742 3    783643 3      C-13-H3C(O)CH3
  335495.7647  0.0675 -5.7064 3  665.1636792  595161404493019 2    492722 2      C-13-H3C(O)CH3
  335507.8770  0.0024 -3.4727 3  181.3517488 -59516140430 625 1    29 524 1      C-13-H3C(O)CH3
  335507.8770  0.0024 -3.4727 3  181.3517488 -59516140430 525 1    29 624 1      C-13-H3C(O)CH3
  335507.9252  0.0024 -4.8756 3  181.3517488  59516140430 625 1    29 624 1      C-13-H3C(O)CH3
  335507.9252  0.0024 -4.8756 3  181.3517488  59516140430 525 1    29 524 1      C-13-H3C(O)CH3
  335508.3966  0.0024 -3.6250 3  181.3510488 -59516140430 625 2    29 524 2      C-13-H3C(O)CH3
  335508.3966  0.0024 -3.6250 3  181.3510488 -59516140430 525 2    29 624 2      C-13-H3C(O)CH3
  335508.4516  0.0024 -3.9475 3  181.3510488  59516140430 625 2    29 624 2      C-13-H3C(O)CH3
  335508.4516  0.0024 -3.9475 3  181.3510488  59516140430 525 2    29 524 2      C-13-H3C(O)CH3
  335510.8805  0.0213 -6.4413 3  276.1987252  5951614043123 9 3    312012 3      C-13-H3C(O)CH3
  335512.6727  0.1829 -6.4653 3 1079.5483460  5951614045756 1 3    5755 2 3      C-13-H3C(O)CH3
  335524.2447  0.1502 -6.1709 3 1588.5871C56  595161404783642 1    783543 1      C-13-H3C(O)CH3
  335524.2449  0.1502 -6.1709 3 1588.5871C56  595161404783742 1    783643 1      C-13-H3C(O)CH3
  335525.1734  0.1413 -6.1715 3 1588.5902C56  595161404783742 2    783643 2      C-13-H3C(O)CH3
  335525.1734  0.1413 -6.1715 3 1588.5902C56  595161404783642 2    783543 2      C-13-H3C(O)CH3
  335533.1846  0.2356 -6.4652 3 1079.5387460  5951614045756 1 4    5755 2 4      C-13-H3C(O)CH3
  335559.0396  0.1522 -6.1708 3 1588.5768C56  595161404783642 0    783543 0      C-13-H3C(O)CH3
  335559.0397  0.1522 -6.1708 3 1588.5768C56  595161404783742 0    783643 0      C-13-H3C(O)CH3
  335559.7501  0.0021 -3.5162 3  181.3369488 -59516140430 625 0    29 624 0      C-13-H3C(O)CH3
  335559.7501  0.0021 -4.3425 3  181.3369488 -59516140430 525 0    29 624 0      C-13-H3C(O)CH3
  335559.7531  0.0021 -3.5162 3  181.3369488  59516140430 525 0    29 524 0      C-13-H3C(O)CH3
  335559.7531  0.0021 -4.3425 3  181.3369488  59516140430 625 0    29 524 0      C-13-H3C(O)CH3
  335572.2994  0.0297 -6.2862 3  446.7604308  5951614043833 6 3    3734 4 3      C-13-H3C(O)CH3
  335575.9451  0.0266 -5.9834 3  446.7895616  5951614043833 6 2    3734 4 2      C-13-H3C(O)CH3
  335634.3850  0.0096 -4.8328 3  371.6382712 -59516140444 639 2    44 540 2      C-13-H3C(O)CH3
  335634.3850  0.0096 -4.8328 3  371.6382712 -59516140444 539 2    44 440 2      C-13-H3C(O)CH3
  335634.4349  0.0096 -4.6809 3  371.6382712  59516140444 539 2    44 540 2      C-13-H3C(O)CH3
  335634.4349  0.0096 -4.6809 3  371.6382712  59516140444 639 2    44 440 2      C-13-H3C(O)CH3
  335635.2475  0.0106 -4.5102 3  371.6387712  59516140444 539 1    44 440 1      C-13-H3C(O)CH3
  335635.2475  0.0106 -5.3327 3  371.6387712  59516140444 639 1    44 440 1      C-13-H3C(O)CH3
  335635.3432  0.0106 -5.3327 3  371.6387712 -59516140444 539 1    44 540 1      C-13-H3C(O)CH3
  335635.3432  0.0106 -4.5102 3  371.6387712 -59516140444 639 1    44 540 1      C-13-H3C(O)CH3
  335636.7904  0.0464 -5.7074 3  665.1674792  595161404493019 1    492722 1      C-13-H3C(O)CH3
  335649.1109  0.0150 -4.7893 3  345.0562348  59516140443 539 4    43 440 4      C-13-H3C(O)CH3
  335649.1109  0.0150 -4.7893 3  345.0562348  59516140443 439 4    43 340 4      C-13-H3C(O)CH3
  335649.2901  0.0142 -4.7886 3  345.0562348  59516140443 439 3    43 340 3      C-13-H3C(O)CH3
  335649.2901  0.0142 -4.7886 3  345.0562348  59516140443 539 3    43 440 3      C-13-H3C(O)CH3
  335649.7896  0.0176 -6.6222 3  228.9062456  5951614042822 6 1    281910 1      C-13-H3C(O)CH3
  335702.1880  0.1787 -5.7781 3  673.3382792  595161404493217 2    492920 2      C-13-H3C(O)CH3
  335746.5296  0.0138 -6.1062 3  228.9296456  5951614042822 7 0    281910 0      C-13-H3C(O)CH3
  335756.9534  0.1794 -6.4062 3 1052.8940904  5951614045656 1 1    5655 2 1      C-13-H3C(O)CH3
  335768.0063  0.0247 -6.3044 3  389.3688600  595161404372612 1    372314 1      C-13-H3C(O)CH3
  335789.3008  0.0442 -5.7097 3  665.1795792  595161404493019 0    492722 0      C-13-H3C(O)CH3
  335793.4575  0.0050 -5.8580 3   41.8840108  5951614041310 3 3    12 7 6 3      C-13-H3C(O)CH3
  335799.0865  0.1956 -6.4060 3 1052.8524904  5951614045656 1 0    5655 1 0      C-13-H3C(O)CH3
  335799.0865  0.1956 -6.4060 3 1052.8524904  5951614045656 0 0    5655 2 0      C-13-H3C(O)CH3
  335804.5913  0.0222 -6.5426 3  276.1987252  5951614043123 8 3    312012 3      C-13-H3C(O)CH3
  335811.8446  0.2551 -6.6921 3 1866.4190D52  595161404844143 2    844044 2      C-13-H3C(O)CH3
  335811.8489  0.2551 -6.6921 3 1866.4190D52  595161404844243 2    844144 2      C-13-H3C(O)CH3
  335814.3391  0.2726 -6.6918 3 1866.4165D52  595161404844143 1    844044 1      C-13-H3C(O)CH3
  335814.3453  0.2726 -6.6918 3 1866.4165D52  595161404844243 1    844144 1      C-13-H3C(O)CH3
  335817.1752  0.0343 -6.2844 3  446.7318308  5951614043833 6 4    3734 4 4      C-13-H3C(O)CH3
  335822.9346  0.0183 -6.5090 3  228.9119456  5951614042822 6 2    281910 2      C-13-H3C(O)CH3
  335830.0375  0.0370 -6.4191 3  521.7014696  595161404432915 1    432617 1      C-13-H3C(O)CH3
  335840.6876  0.2753 -6.6918 3 1866.4184D52  595161404844143 0    844044 0      C-13-H3C(O)CH3
  335840.6926  0.2753 -6.6918 3 1866.4184D52  595161404844243 0    844144 0      C-13-H3C(O)CH3
  335846.1874  0.0132 -6.4102 3   43.7951108  5951614041311 3 4    12 8 4 4      C-13-H3C(O)CH3
  335902.1967  0.0091 -4.6350 3  371.6370712  59516140444 539 0    44 440 0      C-13-H3C(O)CH3
  335902.1967  0.0091 -4.9051 3  371.6370712  59516140444 639 0    44 440 0      C-13-H3C(O)CH3
  335902.1967  0.0091 -4.9051 3  371.6370712  59516140444 539 0    44 540 0      C-13-H3C(O)CH3
  335902.1967  0.0091 -4.6350 3  371.6370712  59516140444 639 0    44 540 0      C-13-H3C(O)CH3
  335906.8475  0.0177 -4.8591 3  319.0669340  59516140442 439 3    42 240 3      C-13-H3C(O)CH3
  335906.8475  0.0177 -6.8758 3  319.0669340  59516140442 339 3    42 240 3      C-13-H3C(O)CH3
  335906.8475  0.0177 -6.8758 3  319.0669340  59516140442 439 3    42 340 3      C-13-H3C(O)CH3
  335906.8475  0.0177 -4.8591 3  319.0669340  59516140442 339 3    42 340 3      C-13-H3C(O)CH3
  335906.8858  0.0186 -4.9822 3  319.0670340  59516140442 439 4    42 240 4      C-13-H3C(O)CH3
  335906.8858  0.0186 -5.4503 3  319.0670340  59516140442 439 4    42 340 4      C-13-H3C(O)CH3
  335906.8858  0.0186 -4.9822 3  319.0670340  59516140442 339 4    42 340 4      C-13-H3C(O)CH3
  335906.8858  0.0186 -5.4503 3  319.0670340  59516140442 339 4    42 240 4      C-13-H3C(O)CH3
  335920.8366  0.0861 -6.7408 3  637.0293776  595161404482919 0    473216 0      C-13-H3C(O)CH3
  335927.7698  0.1220 -5.7731 3  728.1349824  595161404513318 1    513021 1      C-13-H3C(O)CH3
  335929.5086  0.0058 -4.2375 3  126.4923180  595161404221310 4    2112 9 4      C-13-H3C(O)CH3
  335944.1618  0.0050 -6.6133 3   56.1569124  5951614041510 5 4    14 7 7 4      C-13-H3C(O)CH3
  335967.0352  0.0364 -6.4538 3  389.3384300  595161404372612 4    372314 4      C-13-H3C(O)CH3
  335969.2259  0.0058 -4.2373 3  126.4913180 -595161404221310 3    2112 9 3      C-13-H3C(O)CH3
  335977.4235  0.0152 -6.2267 3  276.2192504  5951614043123 8 1    312012 1      C-13-H3C(O)CH3
  335987.5002  0.0129 -4.9367 3  345.0420696  59516140443 439 2    43 440 2      C-13-H3C(O)CH3
  335987.5002  0.0129 -4.6763 3  345.0420696  59516140443 539 2    43 440 2      C-13-H3C(O)CH3
  335987.5080  0.0129 -4.6763 3  345.0420696 -59516140443 439 2    43 340 2      C-13-H3C(O)CH3
  335987.5080  0.0129 -4.9367 3  345.0420696 -59516140443 539 2    43 340 2      C-13-H3C(O)CH3
  335988.1798  0.0142 -4.6375 3  345.0424696 -59516140443 439 1    43 440 1      C-13-H3C(O)CH3
  335988.1798  0.0142 -4.6375 3  345.0424696 -59516140443 539 1    43 340 1      C-13-H3C(O)CH3
  335988.2083  0.0142 -5.0183 3  345.0424696  59516140443 539 1    43 440 1      C-13-H3C(O)CH3
  335988.2083  0.0142 -5.0183 3  345.0424696  59516140443 439 1    43 340 1      C-13-H3C(O)CH3
  335990.0022  0.1690 -6.0047 3 1260.4159A16  5951614046357 6 0    6356 8 0      C-13-H3C(O)CH3
  335990.0022  0.1690 -6.0047 3 1260.4159A16  5951614046357 7 0    6356 7 0      C-13-H3C(O)CH3
  336007.7197  0.1574 -6.0047 3 1260.4249A16  5951614046357 6 2    6356 7 2      C-13-H3C(O)CH3
  336012.4250  0.0225 -6.5235 3  276.1986252  5951614043123 8 4    312012 4      C-13-H3C(O)CH3
  336017.3265  0.0174 -4.9358 3  865.7859968  595161404602040 0    602041 0      C-13-H3C(O)CH3
  336017.3265  0.0174 -6.1394 3  865.7859968  595161404602040 0    601941 0      C-13-H3C(O)CH3
  336017.3265  0.0174 -6.1394 3  865.7859968  595161404602140 0    602041 0      C-13-H3C(O)CH3
  336017.3265  0.0174 -4.9358 3  865.7859968  595161404602140 0    601941 0      C-13-H3C(O)CH3
  336022.1083  0.0053 -6.8128 3   56.1153248  5951614041510 5 1    14 7 7 1      C-13-H3C(O)CH3
  336022.9314  0.0187 -6.1522 3  276.2186504  5951614043123 9 2    312012 2      C-13-H3C(O)CH3
  336038.0483  0.1431 -5.7960 3  620.6604760  595161404473116 2    472819 2      C-13-H3C(O)CH3
  336052.4840  0.2049 -6.4057 3 1052.9143904  5951614045656 0 1    5655 1 1      C-13-H3C(O)CH3
  336053.6797  0.1375 -6.0047 3 1260.4156A16  5951614046357 7 1    6356 8 1      C-13-H3C(O)CH3
  336058.1555  0.0556 -5.7912 3  570.1198728  595161404453015 1    452718 1      C-13-H3C(O)CH3
  336069.6634  0.1921 -6.7070 3 1052.9454452  5951614045656 1 4    5655 2 4      C-13-H3C(O)CH3
  336072.1505  0.1414 -6.3057 3 1260.4246508  5951614046357 7 3    6356 8 3      C-13-H3C(O)CH3
  336081.9706  0.0273 -5.9242 3  389.3688600  595161404372611 1    372314 1      C-13-H3C(O)CH3
  336087.5992  0.1456 -6.0046 3 1260.4383A16  5951614046357 6 1    6356 7 1      C-13-H3C(O)CH3
  336089.2035  0.0203 -5.2623 3  865.7826968  595161404602040 1    601941 1      C-13-H3C(O)CH3
  336089.2035  0.0203 -5.1637 3  865.7826968  595161404602040 1    602041 1      C-13-H3C(O)CH3
  336089.2035  0.0203 -5.1637 3  865.7826968  595161404602140 1    601941 1      C-13-H3C(O)CH3
  336089.2035  0.0203 -5.2623 3  865.7826968  595161404602140 1    602041 1      C-13-H3C(O)CH3
  336091.6521  0.0226 -6.1737 3  865.7826968  595161404602140 2    602041 2      C-13-H3C(O)CH3
  336091.6521  0.0226 -6.1737 3  865.7826968  595161404602040 2    601941 2      C-13-H3C(O)CH3
  336091.6521  0.0226 -4.9335 3  865.7826968  595161404602040 2    602041 2      C-13-H3C(O)CH3
  336091.6521  0.0226 -4.9335 3  865.7826968  595161404602140 2    601941 2      C-13-H3C(O)CH3
  336105.3869  0.1618 -6.3057 3 1260.4471508  5951614046357 6 4    6356 7 4      C-13-H3C(O)CH3
  336111.0213  0.1810 -6.4057 3 1052.9038904  5951614045656 0 2    5655 1 2      C-13-H3C(O)CH3
  336140.4411  0.0224 -4.9744 3  293.6731332  59516140441 239 3    41 140 3      C-13-H3C(O)CH3
  336140.4411  0.0224 -4.9744 3  293.6731332  59516140441 339 3    41 240 3      C-13-H3C(O)CH3
  336140.8144  0.0233 -6.3831 3  293.6732332  59516140441 239 4    41 140 4      C-13-H3C(O)CH3
  336140.8144  0.0233 -4.9909 3  293.6732332  59516140441 239 4    41 240 4      C-13-H3C(O)CH3
  336140.8144  0.0233 -4.9909 3  293.6732332  59516140441 339 4    41 140 4      C-13-H3C(O)CH3
  336140.8144  0.0233 -6.3831 3  293.6732332  59516140441 339 4    41 240 4      C-13-H3C(O)CH3
  336145.9433  0.1428 -6.0045 3 1260.4048A16  5951614046357 7 2    6356 8 2      C-13-H3C(O)CH3
  336147.1425  0.2134 -6.7068 3 1052.9309452  5951614045656 1 3    5655 2 3      C-13-H3C(O)CH3
  336151.7426  0.0053 -3.9363 3  126.4806360 -595161404221310 1    2112 9 1      C-13-H3C(O)CH3
  336155.1151  0.0219 -5.7735 3  389.3868600  595161404372611 0    372314 0      C-13-H3C(O)CH3
  336163.6323  0.0198 -6.4815 3  865.7792484  595161404602040 3    601941 3      C-13-H3C(O)CH3
  336163.6323  0.0198 -5.2339 3  865.7792484  595161404602040 3    602041 3      C-13-H3C(O)CH3
  336163.6323  0.0198 -5.2339 3  865.7792484  595161404602140 3    601941 3      C-13-H3C(O)CH3
  336163.6323  0.0198 -6.4815 3  865.7792484  595161404602140 3    602041 3      C-13-H3C(O)CH3
  336163.7904  0.0199 -5.2812 3  865.7792484  595161404602140 4    602041 4      C-13-H3C(O)CH3
  336163.7904  0.0199 -6.0301 3  865.7792484  595161404602140 4    601941 4      C-13-H3C(O)CH3
  336163.7904  0.0199 -6.0301 3  865.7792484  595161404602040 4    602041 4      C-13-H3C(O)CH3
  336163.7904  0.0199 -5.2812 3  865.7792484  595161404602040 4    601941 4      C-13-H3C(O)CH3
  336183.1859  0.0123 -5.8870 3  276.2390504  5951614043123 9 0    312012 0      C-13-H3C(O)CH3
  336188.6111  0.2328 -6.4054 3 1052.8893904  5951614045656 1 2    5655 2 2      C-13-H3C(O)CH3
  336201.3214  0.0561 -5.8503 3 1245.8321564  595161404703041 3    702842 3      C-13-H3C(O)CH3
  336201.3214  0.0561 -5.8500 3 1245.8321564  595161404702941 3    702942 3      C-13-H3C(O)CH3
  336201.3542  0.0562 -5.8540 3 1245.8321564  595161404702941 4    702842 4      C-13-H3C(O)CH3
  336201.3542  0.0562 -5.8554 3 1245.8321564  595161404703041 4    702942 4      C-13-H3C(O)CH3
  336202.1102  0.0518 -5.5488 3 1245.8117B28  595161404702941 1    702842 1      C-13-H3C(O)CH3
  336202.1102  0.0518 -5.5474 3 1245.8117B28  595161404703041 1    702942 1      C-13-H3C(O)CH3
  336206.6979  0.0560 -5.8184 3 1245.8135B28  595161404703041 2    702842 2      C-13-H3C(O)CH3
  336206.6979  0.0560 -5.8802 3 1245.8135B28  595161404703041 2    702942 2      C-13-H3C(O)CH3
  336206.6979  0.0560 -5.8626 3 1245.8135B28  595161404702941 2    702842 2      C-13-H3C(O)CH3
  336206.6979  0.0560 -5.8343 3 1245.8135B28  595161404702941 2    702942 2      C-13-H3C(O)CH3
  336207.5251  0.0516 -5.5546 3 1245.7931B28  595161404703041 0    702842 0      C-13-H3C(O)CH3
  336207.5251  0.0516 -5.5524 3 1245.7931B28  595161404702941 0    702942 0      C-13-H3C(O)CH3
  336209.8431  0.1555 -6.3055 3 1260.4045508  5951614046357 7 4    6356 8 4      C-13-H3C(O)CH3
  336227.8985  0.0175 -6.2296 3  276.2186504  5951614043123 8 2    312012 2      C-13-H3C(O)CH3
  336237.6421  0.0391 -5.7270 3  521.7233696  595161404432914 0    432617 0      C-13-H3C(O)CH3
  336238.4275  0.2207 -6.7016 3 1605.1793588  595161404735914 4    735815 4      C-13-H3C(O)CH3
  336240.7891  0.0401 -6.5373 3  389.3387300  595161404372612 3    372314 3      C-13-H3C(O)CH3
  336244.0278  0.1446 -6.3055 3 1260.4271508  5951614046357 6 3    6356 7 3      C-13-H3C(O)CH3
  336254.3828  0.0104 -6.2195 3   37.6370200  5951614041211 2 1    11 8 4 1      C-13-H3C(O)CH3
  336261.2726  0.0209 -5.7295 3  416.2080600  5951614043731 6 1    3632 4 1      C-13-H3C(O)CH3
  336264.8854  0.0215 -5.7286 3  416.2277600  5951614043731 7 0    3632 4 0      C-13-H3C(O)CH3
  336264.8855  0.0215 -5.7286 3  416.2277600  5951614043731 6 0    3632 5 0      C-13-H3C(O)CH3
  336278.4049  0.0316 -6.1747 3  389.3566600  595161404372612 2    372314 2      C-13-H3C(O)CH3
  336323.8833  0.0187 -4.5579 3  319.0377680  59516140442 439 2    42 240 2      C-13-H3C(O)CH3
  336323.8833  0.0187 -4.5579 3  319.0377680  59516140442 339 2    42 340 2      C-13-H3C(O)CH3
  336324.0603  0.0187 -6.4589 3  319.0377680 -59516140442 339 2    42 240 2      C-13-H3C(O)CH3
  336324.0603  0.0187 -6.4589 3  319.0377680 -59516140442 439 2    42 340 2      C-13-H3C(O)CH3
  336324.5074  0.0203 -6.0738 3  319.0381680  59516140442 439 1    42 340 1      C-13-H3C(O)CH3
  336324.5074  0.0203 -6.0738 3  319.0381680  59516140442 339 1    42 240 1      C-13-H3C(O)CH3
  336324.5074  0.0203 -4.5659 3  319.0381680  59516140442 339 1    42 340 1      C-13-H3C(O)CH3
  336324.5074  0.0203 -4.5659 3  319.0381680  59516140442 439 1    42 240 1      C-13-H3C(O)CH3
  336325.7575  0.0120 -5.4831 3  345.0283696  59516140443 439 0    43 340 0      C-13-H3C(O)CH3
  336325.7575  0.0120 -4.5286 3  345.0283696  59516140443 439 0    43 440 0      C-13-H3C(O)CH3
  336325.7575  0.0120 -4.5312 3  345.0283696  59516140443 539 0    43 340 0      C-13-H3C(O)CH3
  336325.7575  0.0120 -5.5071 3  345.0283696  59516140443 539 0    43 440 0      C-13-H3C(O)CH3
  336337.4640  0.0656 -6.2784 3  521.6867696  595161404432915 2    432617 2      C-13-H3C(O)CH3
  336347.5611  0.0053 -3.9362 3  126.4702360 -595161404221310 2    2112 9 2      C-13-H3C(O)CH3
  336348.2137  0.2151 -5.7813 3  728.1268824  595161404513318 2    513021 2      C-13-H3C(O)CH3
  336350.8482  0.0284 -6.3066 3  268.8756324  59516140440 239 3    40 040 3      C-13-H3C(O)CH3
  336350.8482  0.0284 -6.3066 3  268.8756324  59516140440 139 3    40 140 3      C-13-H3C(O)CH3
  336350.8482  0.0284 -5.2554 3  268.8756324  59516140440 239 3    40 140 3      C-13-H3C(O)CH3
  336350.8482  0.0284 -5.2554 3  268.8756324  59516140440 139 3    40 040 3      C-13-H3C(O)CH3
  336351.7047  0.0293 -5.4872 3  268.8756324  59516140440 139 4    40 040 4      C-13-H3C(O)CH3
  336351.7047  0.0293 -5.4872 3  268.8756324  59516140440 239 4    40 140 4      C-13-H3C(O)CH3
  336351.7047  0.0293 -5.5544 3  268.8756324  59516140440 239 4    40 040 4      C-13-H3C(O)CH3
  336351.7047  0.0293 -5.5544 3  268.8756324  59516140440 139 4    40 140 4      C-13-H3C(O)CH3
  336355.1446  0.0671 -6.4852 3  521.6652348  595161404432915 4    432617 4      C-13-H3C(O)CH3
  336366.9340  0.1982 -6.7065 3 1052.9658452  5951614045656 0 3    5655 1 3      C-13-H3C(O)CH3
  336375.3706  0.2095 -6.7013 3 1605.1377588  595161404735915 3    735816 3      C-13-H3C(O)CH3
  336391.7521  0.1571 -6.0473 3  673.3152396  595161404493217 3    492920 3      C-13-H3C(O)CH3
  336392.4063  0.2228 -6.4003 3 1605.1872B76  595161404735914 2    735815 2      C-13-H3C(O)CH3
  336421.5622  0.2329 -6.7013 3 1605.1429588  595161404735914 3    735815 3      C-13-H3C(O)CH3
  336428.7485  0.1962 -6.4003 3 1605.1807B76  595161404735914 1    735815 1      C-13-H3C(O)CH3
  336445.4321  0.2617 -6.7063 3 1052.9512452  5951614045656 0 4    5655 1 4      C-13-H3C(O)CH3
  336478.3691  0.0106 -6.2342 3   37.6394200  5951614041211 2 2    11 8 4 2      C-13-H3C(O)CH3
  336529.2672  0.2003 -6.4000 3 1605.1456B76  595161404735915 2    735816 2      C-13-H3C(O)CH3
  336530.2364  0.0021 -5.0304 3  185.3423252  59516140431 527 3    30 526 3      C-13-H3C(O)CH3
  336530.2364  0.0021 -4.0644 3  185.3423252  59516140431 427 3    30 526 3      C-13-H3C(O)CH3
  336530.2427  0.0021 -5.5036 3  185.3423252  59516140431 527 4    30 526 4      C-13-H3C(O)CH3
  336530.2427  0.0021 -5.5036 3  185.3423252  59516140431 427 4    30 426 4      C-13-H3C(O)CH3
  336530.2433  0.0021 -3.9885 3  185.3423252 -59516140431 427 3    30 426 3      C-13-H3C(O)CH3
  336530.2433  0.0021 -3.7457 3  185.3423252 -59516140431 527 3    30 426 3      C-13-H3C(O)CH3
  336530.2433  0.0021 -3.7310 3  185.3423252 -59516140431 427 4    30 526 4      C-13-H3C(O)CH3
  336530.2433  0.0021 -3.7310 3  185.3423252 -59516140431 527 4    30 426 4      C-13-H3C(O)CH3
  336540.3153  0.1292 -6.0406 3  620.6370380  595161404473116 3    472819 3      C-13-H3C(O)CH3
  336546.2876  0.0048 -3.9361 3  126.4591360 -595161404221310 0    2112 9 0      C-13-H3C(O)CH3
  336558.2157  0.2412 -6.7010 3 1605.1014588  595161404735915 4    735816 4      C-13-H3C(O)CH3
  336559.6699  0.0232 -5.7282 3  416.1697600  5951614043731 7 1    3632 5 1      C-13-H3C(O)CH3
  336563.9017  0.0236 -6.0305 3  416.1829300  5951614043731 6 4    3632 4 4      C-13-H3C(O)CH3
  336567.6176  0.0211 -5.7285 3  416.2026600  5951614043731 6 2    3632 4 2      C-13-H3C(O)CH3
  336576.1390  0.0024 -4.6574 3  185.3218504 -59516140431 527 1    30 426 1      C-13-H3C(O)CH3
  336576.1390  0.0024 -4.6574 3  185.3218504 -59516140431 427 1    30 526 1      C-13-H3C(O)CH3
  336576.2155  0.0024 -3.4487 3  185.3218504  59516140431 427 1    30 426 1      C-13-H3C(O)CH3
  336576.2155  0.0024 -3.4487 3  185.3218504  59516140431 527 1    30 526 1      C-13-H3C(O)CH3
  336576.5423  0.0024 -3.4244 3  185.3212504 -59516140431 427 2    30 526 2      C-13-H3C(O)CH3
  336576.5423  0.0024 -5.8103 3  185.3212504 -59516140431 527 2    30 526 2      C-13-H3C(O)CH3
  336576.5458  0.0024 -5.8103 3  185.3212504  59516140431 427 2    30 426 2      C-13-H3C(O)CH3
  336576.5458  0.0024 -3.4244 3  185.3212504  59516140431 527 2    30 426 2      C-13-H3C(O)CH3
  336579.5415  0.0219 -5.5976 3  268.3692252  595161404312111 4    3022 8 4      C-13-H3C(O)CH3
  336582.3773  0.2102 -6.4000 3 1605.1886B76  595161404735914 0    735815 0      C-13-H3C(O)CH3
  336582.3773  0.2102 -6.4000 3 1605.1886B76  595161404735915 0    735816 0      C-13-H3C(O)CH3
  336585.5399  0.0128 -6.6742 3   37.6903100  5951614041211 2 3    11 8 4 3      C-13-H3C(O)CH3
  336611.5928  0.1988 -6.3999 3 1605.1443B76  595161404735915 1    735816 1      C-13-H3C(O)CH3
  336617.5882  0.0316 -6.3252 3  475.4300664  595161404412814 1    412516 1      C-13-H3C(O)CH3
  336622.3990  0.0021 -4.1809 3  185.3008504 -59516140431 427 0    30 526 0      C-13-H3C(O)CH3
  336622.3990  0.0021 -4.1809 3  185.3008504 -59516140431 527 0    30 426 0      C-13-H3C(O)CH3
  336622.4158  0.0021 -3.5058 3  185.3008504  59516140431 427 0    30 426 0      C-13-H3C(O)CH3
  336622.4158  0.0021 -3.5058 3  185.3008504  59516140431 527 0    30 526 0      C-13-H3C(O)CH3
  336638.4604  0.0151 -5.7315 3   89.2243296  5951614041814 4 2    1713 5 2      C-13-H3C(O)CH3
  336644.5290  0.0273 -4.6821 3  293.6261664  59516140441 239 2    41 140 2      C-13-H3C(O)CH3
  336644.5290  0.0273 -6.2647 3  293.6261664  59516140441 339 2    41 140 2      C-13-H3C(O)CH3
  336644.5290  0.0273 -6.2647 3  293.6261664  59516140441 239 2    41 240 2      C-13-H3C(O)CH3
  336644.5290  0.0273 -4.6821 3  293.6261664  59516140441 339 2    41 240 2      C-13-H3C(O)CH3
  336645.1110  0.0289 -4.8121 3  293.6265664  59516140441 239 1    41 240 1      C-13-H3C(O)CH3
  336645.1110  0.0289 -5.2281 3  293.6265664  59516140441 339 1    41 240 1      C-13-H3C(O)CH3
  336645.1110  0.0289 -5.2281 3  293.6265664  59516140441 239 1    41 140 1      C-13-H3C(O)CH3
  336645.1110  0.0289 -4.8121 3  293.6265664  59516140441 339 1    41 140 1      C-13-H3C(O)CH3
  336663.3923  0.0238 -6.0290 3  416.1650300  5951614043731 6 3    3632 4 3      C-13-H3C(O)CH3
  336668.6130  0.0217 -5.7271 3  416.1846600  5951614043731 7 2    3632 5 2      C-13-H3C(O)CH3
  336675.0399  0.0422 -6.2591 3  389.3387300  595161404372611 3    372314 3      C-13-H3C(O)CH3
  336685.5605  0.0139 -5.2720 3  268.3860504  595161404312111 1    3022 8 1      C-13-H3C(O)CH3
  336690.1176  0.0279 -6.2827 3  431.3162632  595161404392713 1    392415 1      C-13-H3C(O)CH3
  336693.9460  0.0145 -5.1077 3  268.3915504  595161404312111 2    3022 8 2      C-13-H3C(O)CH3
  336716.9893  0.1478 -6.4593 3 1426.6085548  595161404685810 4    685711 4      C-13-H3C(O)CH3
  336740.6615  0.0175 -6.1651 3  319.0089680  59516140442 339 0    42 240 0      C-13-H3C(O)CH3
  336740.6615  0.0175 -4.5618 3  319.0089680  59516140442 339 0    42 340 0      C-13-H3C(O)CH3
  336740.6615  0.0175 -6.1651 3  319.0089680  59516140442 439 0    42 340 0      C-13-H3C(O)CH3
  336740.6615  0.0175 -4.5618 3  319.0089680  59516140442 439 0    42 240 0      C-13-H3C(O)CH3
  336740.7792  0.0055 -5.5428 3   41.7872216  5951614041310 3 0    12 7 6 0      C-13-H3C(O)CH3
  336749.1030  0.1681 -6.1581 3 1426.6052A96  595161404685810 2    685711 2      C-13-H3C(O)CH3
  336753.7569  0.2600 -6.6431 3 1759.2449C40  595161404776017 1    775918 1      C-13-H3C(O)CH3
  336753.8346  0.0160 -4.8545 3  829.8172952  595161404591940 0    591941 0      C-13-H3C(O)CH3
  336753.8346  0.0160 -4.8545 3  829.8172952  595161404592040 0    591841 0      C-13-H3C(O)CH3
  336757.0310  0.0122 -6.7093 3   37.6903100  5951614041211 1 3    11 8 4 3      C-13-H3C(O)CH3
  336769.3805  0.0083 -4.8567 3  268.4088504  595161404312111 0    3022 8 0      C-13-H3C(O)CH3
  336795.0282  0.3061 -6.6431 3 1759.2515C40  595161404776017 2    775918 2      C-13-H3C(O)CH3
  336818.0331  0.1519 -6.4591 3 1426.5790548  595161404685810 3    685711 3      C-13-H3C(O)CH3
  336830.7952  0.0188 -5.6075 3  829.8099952  595161404592040 1    591941 1      C-13-H3C(O)CH3
  336830.7952  0.0188 -4.8850 3  829.8099952  595161404592040 1    591841 1      C-13-H3C(O)CH3
  336830.7952  0.0188 -6.0048 3  829.8099952  595161404591940 1    591841 1      C-13-H3C(O)CH3
  336830.7952  0.0188 -4.9373 3  829.8099952  595161404591940 1    591941 1      C-13-H3C(O)CH3
  336832.7663  0.0204 -4.8533 3  829.8098952  595161404591940 2    591941 2      C-13-H3C(O)CH3
  336832.7663  0.0204 -4.8533 3  829.8098952  595161404592040 2    591841 2      C-13-H3C(O)CH3
  336848.3390  0.1580 -6.1580 3 1426.6064A96  595161404685810 1    685711 1      C-13-H3C(O)CH3
  336860.3891  0.0241 -6.0292 3  416.1447300  5951614043731 7 3    3632 5 3      C-13-H3C(O)CH3
  336871.9046  0.0151 -5.8381 3   89.2145296  5951614041814 4 1    1713 5 1      C-13-H3C(O)CH3
  336879.9055  0.1982 -6.1579 3 1426.6031A96  595161404685810 0    685711 0      C-13-H3C(O)CH3
  336879.9055  0.1982 -6.1579 3 1426.6031A96  595161404685811 0    685712 0      C-13-H3C(O)CH3
  336883.4892  0.1589 -6.4590 3 1426.5721548  595161404685811 3    685712 3      C-13-H3C(O)CH3
  336887.4000  0.0146 -5.7750 3  328.1971552  595161404342411 1    342114 1      C-13-H3C(O)CH3
  336891.9312  0.1112 -5.8307 3  570.1057728  595161404453015 2    452718 2      C-13-H3C(O)CH3
  336893.8243  0.0452 -5.8262 3  521.7014696  595161404432914 1    432617 1      C-13-H3C(O)CH3
  336898.2510  0.2359 -6.6428 3 1759.2147C40  595161404776018 2    775919 2      C-13-H3C(O)CH3
  336909.8334  0.0182 -6.4185 3  829.8025476  595161404591940 3    591841 3      C-13-H3C(O)CH3
  336909.8334  0.0182 -5.1783 3  829.8025476  595161404591940 3    591941 3      C-13-H3C(O)CH3
  336909.8334  0.0182 -5.1783 3  829.8025476  595161404592040 3    591841 3      C-13-H3C(O)CH3
  336909.8334  0.0182 -6.4185 3  829.8025476  595161404592040 3    591941 3      C-13-H3C(O)CH3
  336909.9890  0.0183 -5.4141 3  829.8025476  595161404592040 4    591841 4      C-13-H3C(O)CH3
  336909.9890  0.0183 -5.5002 3  829.8025476  595161404592040 4    591941 4      C-13-H3C(O)CH3
  336909.9890  0.0183 -5.4141 3  829.8025476  595161404591940 4    591941 4      C-13-H3C(O)CH3
  336909.9890  0.0183 -5.5002 3  829.8025476  595161404591940 4    591841 4      C-13-H3C(O)CH3
  336915.2748  0.1692 -6.1578 3 1426.5688A96  595161404685811 2    685712 2      C-13-H3C(O)CH3
  336926.8044  0.0210 -5.5285 3  268.3581252  595161404312111 3    3022 8 3      C-13-H3C(O)CH3
  336938.3518  0.0230 -6.2029 3  328.1728276  595161404342411 3    342114 3      C-13-H3C(O)CH3
  336948.6303  0.1569 -6.1578 3 1426.5769A96  595161404685811 1    685712 1      C-13-H3C(O)CH3
  336950.3287  0.0386 -5.9362 3  268.8080648  59516140440 239 2    40 040 2      C-13-H3C(O)CH3
  336950.3287  0.0386 -4.9587 3  268.8080648  59516140440 139 2    40 040 2      C-13-H3C(O)CH3
  336950.3287  0.0386 -4.9587 3  268.8080648  59516140440 239 2    40 140 2      C-13-H3C(O)CH3
  336950.3287  0.0386 -5.9362 3  268.8080648  59516140440 139 2    40 140 2      C-13-H3C(O)CH3
  336950.9336  0.0403 -6.0841 3  268.8084648  59516140440 139 1    40 040 1      C-13-H3C(O)CH3
  336950.9336  0.0403 -4.9460 3  268.8084648  59516140440 139 1    40 140 1      C-13-H3C(O)CH3
  336950.9336  0.0403 -4.9460 3  268.8084648  59516140440 239 1    40 040 1      C-13-H3C(O)CH3
  336950.9336  0.0403 -6.0841 3  268.8084648  59516140440 239 1    40 140 1      C-13-H3C(O)CH3
  336959.7931  0.0271 -6.0278 3  416.1266300  5951614043731 7 4    3632 5 4      C-13-H3C(O)CH3
  336961.0547  0.2570 -6.6427 3 1759.2064C40  595161404776018 1    775919 1      C-13-H3C(O)CH3
  336963.3592  0.0448 -6.3100 3  389.3384300  595161404372611 4    372314 4      C-13-H3C(O)CH3
  336971.2541  0.0064 -5.7460 3   41.8360216  5951614041310 3 1    12 7 6 1      C-13-H3C(O)CH3
  336973.3133  0.0310 -5.7364 3  475.4505664  595161404412813 0    412516 0      C-13-H3C(O)CH3
  336976.3664  0.2297 -6.6428 3 1759.2577C40  595161404776017 0    775918 0      C-13-H3C(O)CH3
  336976.3664  0.2297 -6.6428 3 1759.2577C40  595161404776018 0    775919 0      C-13-H3C(O)CH3
  336978.6110  0.0065 -5.7335 3   41.8347216  5951614041310 3 2    12 7 6 2      C-13-H3C(O)CH3
  336983.2631  0.0435 -6.4446 3  431.2832316  595161404392713 4    392415 4      C-13-H3C(O)CH3
  336983.8352  0.1824 -6.4588 3 1426.5426548  595161404685811 4    685712 4      C-13-H3C(O)CH3
  336992.9250  0.0375 -5.9952 3  389.3566600  595161404372611 2    372314 2      C-13-H3C(O)CH3
  336999.6736  0.1913 -6.1250 3  673.3157396  595161404493217 4    492920 4      C-13-H3C(O)CH3
  337000.6082  0.0078 -6.7773 3   27.9841184  59516140411 9 3 0    10 4 6 0      C-13-H3C(O)CH3
  337021.5147  0.0536 -6.4540 3  475.3950332  595161404412814 4    412516 4      C-13-H3C(O)CH3
  337029.4942  0.0148 -5.2127 3  268.3803504  595161404312111 2    3022 9 2      C-13-H3C(O)CH3
  337040.2344  0.0196 -6.1272 3  328.1727276  595161404342411 4    342114 4      C-13-H3C(O)CH3
  337044.6390  0.1191 -6.3839 3 1542.3566620  595161404773542 4    773443 4      C-13-H3C(O)CH3
  337044.6390  0.1191 -6.3839 3 1542.3566620  595161404773642 4    773543 4      C-13-H3C(O)CH3
  337044.6904  0.1191 -6.3839 3 1542.3566620  595161404773542 3    773443 3      C-13-H3C(O)CH3
  337044.6905  0.1191 -6.3839 3 1542.3566620  595161404773642 3    773543 3      C-13-H3C(O)CH3
  337052.7044  0.0258 -5.7516 3  431.3354632  595161404392712 0    392415 0      C-13-H3C(O)CH3
  337077.0941  0.1321 -6.0828 3 1542.3412C40  595161404773642 1    773543 1      C-13-H3C(O)CH3
  337077.0941  0.1321 -6.0828 3 1542.3412C40  595161404773542 1    773443 1      C-13-H3C(O)CH3
  337078.6512  0.1251 -6.0835 3 1542.3443C40  595161404773542 2    773443 2      C-13-H3C(O)CH3
  337078.6513  0.1251 -6.0835 3 1542.3443C40  595161404773642 2    773543 2      C-13-H3C(O)CH3
  337084.7865  0.1709 -6.0056 3 1230.8800A00  5951614046257 5 0    6256 6 0      C-13-H3C(O)CH3
  337084.7865  0.1709 -6.0056 3 1230.8800A00  5951614046257 6 0    6256 7 0      C-13-H3C(O)CH3
  337086.4549  0.0132 -6.8096 3  328.1971552  595161404342410 1    342114 1      C-13-H3C(O)CH3
  337091.6643  0.1662 -5.7941 3  785.0392856  595161404533419 0    533122 0      C-13-H3C(O)CH3
  337111.0284  0.1340 -6.0827 3 1542.3289C40  595161404773542 0    773443 0      C-13-H3C(O)CH3
  337111.0284  0.1340 -6.0827 3 1542.3289C40  595161404773642 0    773543 0      C-13-H3C(O)CH3
  337137.3399  0.1428 -6.0056 3 1230.8859A00  5951614046257 6 1    6256 7 1      C-13-H3C(O)CH3
  337141.0896  0.0503 -6.2108 3  475.4154664  595161404412814 2    412516 2      C-13-H3C(O)CH3
  337146.2673  0.0067 -6.6914 3   95.0408328  59516140420 812 2    20 515 2      C-13-H3C(O)CH3
  337147.2290  0.0040 -4.9163 3   51.9498124  59516140415 7 8 3    14 6 9 3      C-13-H3C(O)CH3
  337148.0408  0.0258 -4.6863 3  293.5796664  59516140441 239 0    41 140 0      C-13-H3C(O)CH3
  337148.0408  0.0258 -6.0831 3  293.5796664  59516140441 239 0    41 240 0      C-13-H3C(O)CH3
  337148.0408  0.0258 -6.0831 3  293.5796664  59516140441 339 0    41 140 0      C-13-H3C(O)CH3
  337148.0408  0.0258 -4.6863 3  293.5796664  59516140441 339 0    41 240 0      C-13-H3C(O)CH3
  337150.2079  0.0122 -5.7373 3  328.2174552  595161404342411 0    342114 0      C-13-H3C(O)CH3
  337153.5752  0.0058 -4.9162 3   51.9498124  59516140415 7 8 4    14 6 9 4      C-13-H3C(O)CH3
  337156.8762  0.1660 -6.0055 3 1230.8913A00  5951614046257 5 2    6256 6 2      C-13-H3C(O)CH3
  337157.1514  0.0067 -6.6913 3   95.0408328  59516140420 912 2    20 615 2      C-13-H3C(O)CH3
  337170.2780  0.1851 -6.0672 3  728.1050412  595161404513318 3    513021 3      C-13-H3C(O)CH3
  337179.0548  0.0067 -6.6917 3   95.0417328  59516140420 812 1    20 515 1      C-13-H3C(O)CH3
  337181.7698  0.1039 -6.0492 3  570.0828364  595161404453015 3    452718 3      C-13-H3C(O)CH3
  337189.5636  0.0067 -6.6917 3   95.0417328  59516140420 912 1    20 615 1      C-13-H3C(O)CH3
  337210.3031  0.1513 -6.3066 3 1230.8973500  5951614046257 6 3    6256 7 3      C-13-H3C(O)CH3
  337212.6900  0.1521 -6.0055 3 1230.9078A00  5951614046257 5 1    6256 6 1      C-13-H3C(O)CH3
  337214.5402  0.0393 -6.1791 3  431.3024632  595161404392713 2    392415 2      C-13-H3C(O)CH3
  337239.7798  0.0176 -5.8748 3  328.1931552  595161404342411 2    342114 2      C-13-H3C(O)CH3
  337243.2559  0.0323 -5.9026 3  431.3162632  595161404392712 1    392415 1      C-13-H3C(O)CH3
  337256.9907  0.1543 -6.1514 3  620.6375380  595161404473116 4    472819 4      C-13-H3C(O)CH3
  337258.3016  0.0037 -4.1825 3  137.4451188  595161404231311 4    221210 4      C-13-H3C(O)CH3
  337272.7937  0.1464 -6.0054 3 1230.8765A00  5951614046257 6 2    6256 7 2      C-13-H3C(O)CH3
  337273.2995  0.0144 -5.3963 3  268.3465252  595161404312111 3    3022 9 3      C-13-H3C(O)CH3
  337280.0310  0.0046 -4.1825 3  137.4444188 -595161404231311 3    221210 3      C-13-H3C(O)CH3
  337285.2295  0.1760 -6.3064 3 1230.9190500  5951614046257 5 4    6256 6 4      C-13-H3C(O)CH3
  337302.0764  0.0247 -6.7741 3  328.1727276  595161404342410 4    342114 4      C-13-H3C(O)CH3
  337303.3339  0.0069 -4.2527 3  115.8185172  5951614042113 9 4    2012 8 4      C-13-H3C(O)CH3
  337325.6314  0.1609 -6.3065 3 1230.8824500  5951614046257 6 4    6256 7 4      C-13-H3C(O)CH3
  337332.8710  0.0442 -5.4827 3 1204.0730B12  595161404692841 0    692842 0      C-13-H3C(O)CH3
  337332.8710  0.0442 -5.4827 3 1204.0730B12  595161404692941 0    692742 0      C-13-H3C(O)CH3
  337335.1804  0.0450 -6.1252 3 1204.0911B12  595161404692941 1    692842 1      C-13-H3C(O)CH3
  337335.1804  0.0450 -5.6053 3 1204.0911B12  595161404692841 1    692842 1      C-13-H3C(O)CH3
  337335.1804  0.0450 -6.0500 3 1204.0911B12  595161404692841 1    692742 1      C-13-H3C(O)CH3
  337335.1804  0.0450 -5.5812 3 1204.0911B12  595161404692941 1    692742 1      C-13-H3C(O)CH3
  337339.8897  0.0501 -5.5307 3 1204.0927B12  595161404692841 2    692842 2      C-13-H3C(O)CH3
  337339.8897  0.0501 -6.3706 3 1204.0927B12  595161404692841 2    692742 2      C-13-H3C(O)CH3
  337339.8897  0.0501 -6.3706 3 1204.0927B12  595161404692941 2    692842 2      C-13-H3C(O)CH3
  337339.8897  0.0501 -5.5307 3 1204.0927B12  595161404692941 2    692742 2      C-13-H3C(O)CH3
  337342.2465  0.0499 -5.7752 3 1204.1108556  595161404692841 3    692842 3      C-13-H3C(O)CH3
  337342.2465  0.0499 -5.7769 3 1204.1108556  595161404692941 3    692742 3      C-13-H3C(O)CH3
  337342.2963  0.0500 -5.7770 3 1204.1108556  595161404692941 4    692742 4      C-13-H3C(O)CH3
  337342.2963  0.0500 -5.7731 3 1204.1108556  595161404692941 4    692842 4      C-13-H3C(O)CH3
  337344.6286  0.0046 -4.6142 3   51.9033248  59516140415 7 8 2    14 6 9 2      C-13-H3C(O)CH3
  337356.1423  0.0117 -5.0709 3  311.7847536  595161404332410 0    3225 7 0      C-13-H3C(O)CH3
  337362.7246  0.0103 -5.0662 3  268.3634504  595161404312111 1    3022 9 1      C-13-H3C(O)CH3
  337369.3022  0.0053 -4.2512 3  115.8175172  5951614042113 9 3    2012 8 3      C-13-H3C(O)CH3
  337388.2576  0.0045 -4.6143 3   51.9045248  59516140415 7 8 1    14 6 9 1      C-13-H3C(O)CH3
  337393.2075  0.0118 -5.0708 3  311.7847536  5951614043324 9 0    3225 8 0      C-13-H3C(O)CH3
  337400.0966  0.0241 -6.5415 3  328.1728276  595161404342410 3    342114 3      C-13-H3C(O)CH3
  337401.4546  0.1520 -6.3063 3 1230.9042500  5951614046257 5 3    6256 6 3      C-13-H3C(O)CH3
  337411.8965  0.0379 -5.8659 3  475.4300664  595161404412813 1    412516 1      C-13-H3C(O)CH3
  337414.8791  0.0039 -3.8816 3  137.4386376 -595161404231311 1    221210 1      C-13-H3C(O)CH3
  337427.2908  0.0116 -5.0793 3  311.7610536  595161404332410 2    3225 7 2      C-13-H3C(O)CH3
  337455.9153  0.0147 -4.9235 3  794.4267936  595161404581940 0    581841 0      C-13-H3C(O)CH3
  337455.9153  0.0147 -5.4062 3  794.4267936  595161404581940 0    581741 0      C-13-H3C(O)CH3
  337455.9153  0.0147 -4.9235 3  794.4267936  595161404581840 0    581741 0      C-13-H3C(O)CH3
  337455.9153  0.0147 -5.4062 3  794.4267936  595161404581840 0    581841 0      C-13-H3C(O)CH3
  337465.2842  0.0077 -6.1146 3   41.8833108  5951614041310 3 4    12 7 6 4      C-13-H3C(O)CH3
  337471.9539  0.0485 -6.6203 3  431.2832316  595161404392713 3    392415 3      C-13-H3C(O)CH3
  337522.9716  0.0064 -6.6878 3   95.0093328  59516140420 812 0    20 515 0      C-13-H3C(O)CH3
  337533.9229  0.0064 -6.6878 3   95.0093328  59516140420 912 0    20 615 0      C-13-H3C(O)CH3
  337536.0584  0.0172 -4.8805 3  794.4153936  595161404581940 1    581741 1      C-13-H3C(O)CH3
  337536.0584  0.0172 -5.5694 3  794.4153936  595161404581940 1    581841 1      C-13-H3C(O)CH3
  337536.0584  0.0172 -5.5694 3  794.4153936  595161404581840 1    581741 1      C-13-H3C(O)CH3
  337536.0584  0.0172 -4.8805 3  794.4153936  595161404581840 1    581841 1      C-13-H3C(O)CH3
  337537.5534  0.0183 -4.8073 3  794.4151936  595161404581840 2    581741 2      C-13-H3C(O)CH3
  337537.5534  0.0183 -6.5604 3  794.4151936  595161404581940 2    581741 2      C-13-H3C(O)CH3
  337537.5534  0.0183 -4.8073 3  794.4151936  595161404581940 2    581841 2      C-13-H3C(O)CH3
  337537.5534  0.0183 -6.5604 3  794.4151936  595161404581840 2    581841 2      C-13-H3C(O)CH3
  337540.7710  0.0040 -3.8820 3  137.4302376 -595161404231311 2    221210 2      C-13-H3C(O)CH3
  337548.9113  0.0372 -6.4538 3  268.7408648  59516140440 239 0    40 140 0      C-13-H3C(O)CH3
  337548.9113  0.0372 -4.9260 3  268.7408648  59516140440 239 0    40 040 0      C-13-H3C(O)CH3
  337548.9113  0.0372 -6.4538 3  268.7408648  59516140440 139 0    40 040 0      C-13-H3C(O)CH3
  337548.9113  0.0372 -4.9260 3  268.7408648  59516140440 139 0    40 140 0      C-13-H3C(O)CH3
  337552.4685  0.0317 -6.7397 3  311.7610536  5951614043324 9 2    3225 7 2      C-13-H3C(O)CH3
  337560.7659  0.0331 -6.7404 3  311.7566536  595161404332410 2    3225 8 2      C-13-H3C(O)CH3
  337582.2587  0.0046 -4.6133 3   51.8582248  59516140415 7 8 0    14 6 9 0      C-13-H3C(O)CH3
  337593.1888  0.0158 -5.3512 3  268.3354252  595161404312111 4    3022 9 4      C-13-H3C(O)CH3
  337596.9028  0.0056 -3.9500 3  115.8021344 -5951614042113 9 1    2012 8 1      C-13-H3C(O)CH3
  337598.8201  0.0211 -6.3089 3  328.1931552  595161404342410 2    342114 2      C-13-H3C(O)CH3
  337604.2532  0.0381 -6.8832 3  311.7229268  595161404332410 4    3225 7 4      C-13-H3C(O)CH3
  337616.2851  0.0022 -3.6970 3  188.7753260  59516140432 329 3    31 428 3      C-13-H3C(O)CH3
  337616.2851  0.0022 -3.6970 3  188.7753260  59516140432 429 3    31 328 3      C-13-H3C(O)CH3
  337616.3018  0.0022 -4.7065 3  188.7754260  59516140432 329 4    31 428 4      C-13-H3C(O)CH3
  337616.3018  0.0022 -3.7366 3  188.7754260  59516140432 429 4    31 428 4      C-13-H3C(O)CH3
  337616.3023  0.0022 -5.6662 3  188.7753260 -59516140432 329 3    31 328 3      C-13-H3C(O)CH3
  337616.3023  0.0022 -4.7065 3  188.7754260 -59516140432 429 4    31 328 4      C-13-H3C(O)CH3
  337616.3023  0.0022 -3.7366 3  188.7754260 -59516140432 329 4    31 328 4      C-13-H3C(O)CH3
  337616.3023  0.0022 -5.6662 3  188.7753260 -59516140432 429 3    31 428 3      C-13-H3C(O)CH3
  337617.8049  0.0168 -5.1004 3  794.4037468  595161404581940 3    581741 3      C-13-H3C(O)CH3
  337617.8049  0.0168 -5.1004 3  794.4037468  595161404581840 3    581841 3      C-13-H3C(O)CH3
  337617.9513  0.0169 -5.2679 3  794.4037468  595161404581940 4    581741 4      C-13-H3C(O)CH3
  337617.9513  0.0169 -5.5952 3  794.4037468  595161404581940 4    581841 4      C-13-H3C(O)CH3
  337617.9513  0.0169 -5.5952 3  794.4037468  595161404581840 4    581741 4      C-13-H3C(O)CH3
  337617.9513  0.0169 -5.2679 3  794.4037468  595161404581840 4    581841 4      C-13-H3C(O)CH3
  337632.9251  0.0117 -5.0738 3  311.7402536  595161404332410 1    3225 8 1      C-13-H3C(O)CH3
  337642.0656  0.2271 -6.1144 3  728.1054412  595161404513318 4    513021 4      C-13-H3C(O)CH3
  337647.6593  0.0122 -6.0504 3   43.7439216  5951614041311 3 1    12 8 4 1      C-13-H3C(O)CH3
  337654.3625  0.0116 -5.0730 3  311.7469536  5951614043324 9 1    3225 7 1      C-13-H3C(O)CH3
  337655.6356  0.0025 -4.3459 3  188.7468520  59516140432 429 1    31 428 1      C-13-H3C(O)CH3
  337655.6356  0.0025 -3.4423 3  188.7468520  59516140432 329 1    31 428 1      C-13-H3C(O)CH3
  337655.7276  0.0025 -3.4423 3  188.7468520 -59516140432 429 1    31 328 1      C-13-H3C(O)CH3
  337655.7276  0.0025 -3.4651 3  188.7463520 -59516140432 329 2    31 428 2      C-13-H3C(O)CH3
  337655.7276  0.0025 -4.3459 3  188.7468520 -59516140432 329 1    31 328 1      C-13-H3C(O)CH3
  337655.7276  0.0025 -4.1106 3  188.7463520 -59516140432 429 2    31 428 2      C-13-H3C(O)CH3
  337655.8360  0.0025 -4.1972 3  188.7463520  59516140432 329 2    31 328 2      C-13-H3C(O)CH3
  337655.8360  0.0025 -3.4832 3  188.7463520  59516140432 429 2    31 328 2      C-13-H3C(O)CH3
  337679.6711  0.0598 -6.7781 3  475.3948332  595161404412814 3    412516 3      C-13-H3C(O)CH3
  337684.2177  0.0034 -3.8821 3  137.4242376 -595161404231311 0    221210 0      C-13-H3C(O)CH3
  337685.9436  0.0119 -5.0792 3  311.7566536  5951614043324 9 2    3225 8 2      C-13-H3C(O)CH3
  337687.1389  0.0127 -5.3722 3  311.7163268  595161404332410 3    3225 8 3      C-13-H3C(O)CH3
  337695.0988  0.0021 -3.6275 3  188.7179520 -59516140432 429 0    31 428 0      C-13-H3C(O)CH3
  337695.0988  0.0021 -3.7682 3  188.7179520 -59516140432 429 0    31 328 0      C-13-H3C(O)CH3
  337695.0988  0.0021 -3.7682 3  188.7179520 -59516140432 329 0    31 428 0      C-13-H3C(O)CH3
  337695.0988  0.0021 -3.6275 3  188.7179520 -59516140432 329 0    31 328 0      C-13-H3C(O)CH3
  337712.5874  0.0144 -5.3835 3  311.7229268  5951614043324 9 4    3225 7 4      C-13-H3C(O)CH3
  337737.3970  0.2303 -6.5949 3 1816.8179D36  595161404834043 2    833944 2      C-13-H3C(O)CH3
  337737.3984  0.2303 -6.5949 3 1816.8179D36  595161404834143 2    834044 2      C-13-H3C(O)CH3
  337739.6663  0.2474 -6.5945 3 1816.8152D36  595161404834043 1    833944 1      C-13-H3C(O)CH3
  337739.6685  0.2474 -6.5945 3 1816.8152D36  595161404834143 1    834044 1      C-13-H3C(O)CH3
  337769.0493  0.2500 -6.5945 3 1816.8150D36  595161404834043 0    833944 0      C-13-H3C(O)CH3
  337769.0511  0.2500 -6.5945 3 1816.8150D36  595161404834143 0    834044 0      C-13-H3C(O)CH3
  337785.3937  0.0069 -4.2160 3  105.5939164  5951614042013 8 4    1912 7 4      C-13-H3C(O)CH3
  337806.8747  0.0847 -5.8734 3  521.6867696  595161404432914 2    432617 2      C-13-H3C(O)CH3
  337824.3135  0.0053 -3.9490 3  115.7917344 -5951614042113 9 2    2012 8 2      C-13-H3C(O)CH3
  337892.0880  0.0827 -6.0772 3  521.6648348  595161404432914 3    432617 3      C-13-H3C(O)CH3
  337934.7587  0.0134 -5.3842 3  311.7119268  595161404332410 4    3225 8 4      C-13-H3C(O)CH3
  337948.7364  0.1207 -6.1848 3  570.0832364  595161404453015 4    452718 4      C-13-H3C(O)CH3
  337960.5648  0.0122 -5.3714 3  311.7185268  5951614043324 9 3    3225 7 3      C-13-H3C(O)CH3
  337967.0132  0.0524 -6.1913 3  431.2832316  595161404392712 3    392415 3      C-13-H3C(O)CH3
  337984.5026  0.0070 -4.2044 3  105.5919164  5951614042013 8 3    1912 7 3      C-13-H3C(O)CH3
  337987.2362  0.1940 -6.6544 3 1570.6921580  595161404725913 4    725814 4      C-13-H3C(O)CH3
  338019.4194  0.0090 -6.0929 3   37.5992200  5951614041211 1 0    11 8 4 0      C-13-H3C(O)CH3
  338020.2635  0.0132 -6.0436 3   43.7408216  5951614041311 3 2    12 8 4 2      C-13-H3C(O)CH3
  338033.0083  0.0182 -5.5030 3  386.9392584  5951614043629 8 0    3530 5 0      C-13-H3C(O)CH3
  338033.0161  0.0182 -5.5030 3  386.9392584  5951614043629 7 0    3530 6 0      C-13-H3C(O)CH3
  338035.3848  0.0128 -6.2051 3  494.4722348  595161404432221 3    422518 3      C-13-H3C(O)CH3
  338042.3881  0.0131 -6.2051 3  494.4719348  595161404432221 4    422518 4      C-13-H3C(O)CH3
  338043.0930  0.0407 -6.8833 3  311.7119268  5951614043324 9 4    3225 8 4      C-13-H3C(O)CH3
  338076.0677  0.0138 -5.9053 3  494.4952696  595161404432221 1    422518 1      C-13-H3C(O)CH3
  338080.4087  0.0054 -3.9480 3  115.7760344 -5951614042113 9 0    2012 8 0      C-13-H3C(O)CH3
  338080.5869  0.0116 -5.3174 3  309.6780552  595161404341916 1    332013 1      C-13-H3C(O)CH3
  338107.6434  0.0137 -5.9033 3  494.4905696  595161404432221 2    422518 2      C-13-H3C(O)CH3
  338109.4116  0.2091 -6.3532 3 1570.6994B60  595161404725913 2    725814 2      C-13-H3C(O)CH3
  338117.1736  0.1754 -6.0198 3 1201.8413984  5951614046157 4 0    6156 5 0      C-13-H3C(O)CH3
  338117.1736  0.1754 -6.0198 3 1201.8413984  5951614046157 5 0    6156 6 0      C-13-H3C(O)CH3
  338125.7932  0.0133 -5.2569 3  759.6151920  595161404571740 0    571741 0      C-13-H3C(O)CH3
  338125.7932  0.0133 -4.9103 3  759.6151920  595161404571740 0    571641 0      C-13-H3C(O)CH3
  338125.7932  0.0133 -4.9103 3  759.6151920  595161404571840 0    571741 0      C-13-H3C(O)CH3
  338125.7932  0.0133 -5.2569 3  759.6151920  595161404571840 0    571641 0      C-13-H3C(O)CH3
  338125.8077  0.0181 -5.5036 3  386.9092584  5951614043629 7 1    3530 5 1      C-13-H3C(O)CH3
  338126.3868  0.0143 -5.6162 3  309.6495276  595161404341916 3    332013 3      C-13-H3C(O)CH3
  338137.7154  0.1990 -6.6541 3 1570.6515580  595161404725914 3    725815 3      C-13-H3C(O)CH3
  338137.7898  0.0147 -5.6160 3  309.6491276  595161404341916 4    332013 4      C-13-H3C(O)CH3
  338144.0955  0.1538 -5.8019 3  785.0199856  595161404533419 1    533122 1      C-13-H3C(O)CH3
  338144.5676  0.0125 -5.9045 3  494.5135696  595161404432221 0    422518 0      C-13-H3C(O)CH3
  338146.3535  0.0137 -6.2295 3   43.7892108  5951614041311 3 3    12 8 4 3      C-13-H3C(O)CH3
  338151.0271  0.1675 -6.1280 3 1394.6059A80  5951614046758 9 2    675710 2      C-13-H3C(O)CH3
  338152.0291  0.0052 -4.9151 3   51.9491124  59516140415 8 8 4    14 5 9 4      C-13-H3C(O)CH3
  338153.4043  0.1489 -6.4291 3 1394.6122540  5951614046758 9 4    675710 4      C-13-H3C(O)CH3
  338153.6051  0.1506 -6.0199 3 1201.8534984  5951614046157 5 1    6156 6 1      C-13-H3C(O)CH3
  338155.2220  0.0038 -4.9151 3   51.9490124  59516140415 8 8 3    14 5 9 3      C-13-H3C(O)CH3
  338157.3169  0.2105 -6.6541 3 1570.6581580  595161404725913 3    725814 3      C-13-H3C(O)CH3
  338168.3561  0.1886 -6.3531 3 1570.6941B60  595161404725913 1    725814 1      C-13-H3C(O)CH3
  338190.5555  0.0487 -5.9571 3  431.3024632  595161404392712 2    392415 2      C-13-H3C(O)CH3
  338193.9221  0.0060 -3.9056 3  105.5737328 -5951614042013 8 1    1912 7 1      C-13-H3C(O)CH3
  338195.4726  0.0124 -5.9214 3   50.3998116  5951614041411 4 4    13 8 5 4      C-13-H3C(O)CH3
  338206.7884  0.0157 -6.0445 3  759.5997920  595161404571840 1    571741 1      C-13-H3C(O)CH3
  338206.7884  0.0157 -4.7711 3  759.5997920  595161404571840 1    571641 1      C-13-H3C(O)CH3
  338206.7884  0.0157 -6.0445 3  759.5997920  595161404571740 1    571641 1      C-13-H3C(O)CH3
  338206.7884  0.0157 -4.7711 3  759.5997920  595161404571740 1    571741 1      C-13-H3C(O)CH3
  338207.8224  0.0163 -5.5134 3  759.5995920  595161404571840 2    571641 2      C-13-H3C(O)CH3
  338207.8224  0.0163 -4.8305 3  759.5995920  595161404571840 2    571741 2      C-13-H3C(O)CH3
  338207.8224  0.0163 -4.8305 3  759.5995920  595161404571740 2    571641 2      C-13-H3C(O)CH3
  338207.8224  0.0163 -5.5134 3  759.5995920  595161404571740 2    571741 2      C-13-H3C(O)CH3
  338224.8216  0.1462 -6.4290 3 1394.5848540  5951614046758 9 3    675710 3      C-13-H3C(O)CH3
  338248.4884  0.1777 -6.0196 3 1201.8560984  5951614046157 4 2    6156 5 2      C-13-H3C(O)CH3
  338249.7553  0.2004 -6.1279 3 1394.6037A80  5951614046758 9 0    675710 0      C-13-H3C(O)CH3
  338249.7553  0.2004 -6.1279 3 1394.6037A80  595161404675810 0    675711 0      C-13-H3C(O)CH3
  338252.6079  0.1583 -6.1279 3 1394.6101A80  5951614046758 9 1    675710 1      C-13-H3C(O)CH3
  338259.7614  0.2002 -6.3529 3 1570.6588B60  595161404725914 2    725815 2      C-13-H3C(O)CH3
  338272.7008  0.1613 -6.0197 3 1201.8750984  5951614046157 4 1    6156 5 1      C-13-H3C(O)CH3
  338273.0451  0.0657 -6.1269 3  475.3948332  595161404412813 3    412516 3      C-13-H3C(O)CH3
  338285.8626  0.1635 -6.3208 3 1201.8682492  5951614046157 5 3    6156 6 3      C-13-H3C(O)CH3
  338288.9258  0.0157 -5.1730 3  759.5841460  595161404571840 3    571641 3      C-13-H3C(O)CH3
  338288.9258  0.0157 -5.6552 3  759.5841460  595161404571840 3    571741 3      C-13-H3C(O)CH3
  338288.9258  0.0157 -5.1730 3  759.5841460  595161404571740 3    571741 3      C-13-H3C(O)CH3
  338288.9258  0.0157 -5.6552 3  759.5841460  595161404571740 3    571641 3      C-13-H3C(O)CH3
  338289.0552  0.0157 -5.0531 3  759.5840460  595161404571840 4    571741 4      C-13-H3C(O)CH3
  338289.0552  0.0157 -5.0531 3  759.5840460  595161404571740 4    571641 4      C-13-H3C(O)CH3
  338290.1060  0.2190 -6.3529 3 1570.7015B60  595161404725914 0    725815 0      C-13-H3C(O)CH3
  338290.1060  0.2190 -6.3529 3 1570.7015B60  595161404725913 0    725814 0      C-13-H3C(O)CH3
  338307.4107  0.2312 -6.6538 3 1570.6175580  595161404725914 4    725815 4      C-13-H3C(O)CH3
  338317.2707  0.1670 -6.1278 3 1394.5731A80  595161404675810 2    675711 2      C-13-H3C(O)CH3
  338320.0183  0.1555 -6.4289 3 1394.5794540  595161404675810 3    675711 3      C-13-H3C(O)CH3
  338323.2140  0.1553 -6.1278 3 1394.5826A80  595161404675810 1    675711 1      C-13-H3C(O)CH3
  338334.4055  0.1530 -6.0196 3 1201.8465984  5951614046157 5 2    6156 6 2      C-13-H3C(O)CH3
  338338.0319  0.1926 -6.3528 3 1570.6601B60  595161404725914 1    725815 1      C-13-H3C(O)CH3
  338346.5819  0.0177 -5.5016 3  386.9028584  5951614043629 8 2    3530 6 2      C-13-H3C(O)CH3
  338347.5671  0.0188 -5.5024 3  386.8844584  5951614043629 8 1    3530 6 1      C-13-H3C(O)CH3
  338355.0218  0.0101 -5.3137 3  309.6902552  595161404341916 0    332013 0      C-13-H3C(O)CH3
  338361.7425  0.0124 -6.3787 3   43.7892108  5951614041311 2 3    12 8 4 3      C-13-H3C(O)CH3
  338361.8544  0.0641 -5.9166 3  475.4154664  595161404412813 2    412516 2      C-13-H3C(O)CH3
  338371.1656  0.1690 -6.3207 3 1201.8587492  5951614046157 5 4    6156 6 4      C-13-H3C(O)CH3
  338382.0588  0.0181 -5.5025 3  386.9125584  5951614043629 7 2    3530 5 2      C-13-H3C(O)CH3
  338383.4023  0.0043 -4.6131 3   51.9026248  59516140415 8 8 2    14 5 9 2      C-13-H3C(O)CH3
  338390.6286  0.1756 -6.4287 3 1394.5519540  595161404675810 4    675711 4      C-13-H3C(O)CH3
  338402.8980  0.0383 -5.4526 3 1162.9199A96  595161404682841 0    682642 0      C-13-H3C(O)CH3
  338402.8980  0.0383 -6.3312 3 1162.9199A96  595161404682741 0    682642 0      C-13-H3C(O)CH3
  338402.8980  0.0383 -5.4526 3 1162.9199A96  595161404682741 0    682742 0      C-13-H3C(O)CH3
  338402.8980  0.0383 -6.3312 3 1162.9199A96  595161404682841 0    682742 0      C-13-H3C(O)CH3
  338404.9266  0.1924 -6.3206 3 1201.8896492  5951614046157 4 4    6156 5 4      C-13-H3C(O)CH3
  338406.5167  0.0041 -4.6132 3   51.9038248  59516140415 8 8 1    14 5 9 1      C-13-H3C(O)CH3
  338410.2436  0.0120 -5.3113 3  309.6614552  595161404341916 2    332013 2      C-13-H3C(O)CH3
  338410.2438  0.0060 -3.9027 3  105.5658328 -5951614042013 8 2    1912 7 2      C-13-H3C(O)CH3
  338413.6208  0.0397 -6.5556 3 1162.9370A96  595161404682741 1    682742 1      C-13-H3C(O)CH3
  338413.6208  0.0397 -5.4300 3 1162.9370A96  595161404682841 1    682742 1      C-13-H3C(O)CH3
  338413.6208  0.0397 -6.5556 3 1162.9370A96  595161404682841 1    682642 1      C-13-H3C(O)CH3
  338413.6208  0.0397 -5.4300 3 1162.9370A96  595161404682741 1    682642 1      C-13-H3C(O)CH3
  338413.7746  0.0115 -5.6234 3  358.9312584  595161404362314 0    362017 0      C-13-H3C(O)CH3
  338416.7452  0.2484 -5.8056 3  785.0144856  595161404533419 2    533122 2      C-13-H3C(O)CH3
  338418.3543  0.0453 -5.4136 3 1162.9384A96  595161404682741 2    682742 2      C-13-H3C(O)CH3
  338418.3543  0.0453 -5.4136 3 1162.9384A96  595161404682841 2    682642 2      C-13-H3C(O)CH3
  338418.3543  0.0453 -6.8704 3 1162.9384A96  595161404682841 2    682742 2      C-13-H3C(O)CH3
  338418.3543  0.0453 -6.8704 3 1162.9384A96  595161404682741 2    682642 2      C-13-H3C(O)CH3
  338429.1330  0.0445 -5.9917 3 1162.9556548  595161404682841 3    682642 3      C-13-H3C(O)CH3
  338429.1330  0.0445 -6.0099 3 1162.9556548  595161404682841 3    682742 3      C-13-H3C(O)CH3
  338429.1330  0.0445 -6.0099 3 1162.9556548  595161404682741 3    682642 3      C-13-H3C(O)CH3
  338429.1330  0.0445 -5.9917 3 1162.9556548  595161404682741 3    682742 3      C-13-H3C(O)CH3
  338429.2005  0.0446 -5.8245 3 1162.9556548  595161404682841 4    682742 4      C-13-H3C(O)CH3
  338429.2005  0.0446 -5.8245 3 1162.9556548  595161404682741 4    682642 4      C-13-H3C(O)CH3
  338429.2005  0.0446 -6.3020 3 1162.9556548  595161404682741 4    682742 4      C-13-H3C(O)CH3
  338429.2005  0.0446 -6.3020 3 1162.9556548  595161404682841 4    682642 4      C-13-H3C(O)CH3
  338436.6103  0.0197 -5.8031 3  386.8729292  5951614043629 7 3    3530 5 3      C-13-H3C(O)CH3
  338455.1593  0.0559 -6.2801 3  431.2832316  595161404392712 4    392415 4      C-13-H3C(O)CH3
  338470.1429  0.0112 -5.6237 3  358.9083584  595161404362314 1    362017 1      C-13-H3C(O)CH3
  338473.2996  0.0209 -5.8041 3  386.8826292  5951614043629 7 4    3530 5 4      C-13-H3C(O)CH3
  338473.8131  0.0145 -5.2076 3  268.3915504  595161404312110 2    3022 8 2      C-13-H3C(O)CH3
  338486.0399  0.0159 -5.3472 3  268.3692252  595161404312110 4    3022 8 4      C-13-H3C(O)CH3
  338490.9759  0.1617 -6.3205 3 1201.8802492  5951614046157 4 3    6156 5 3      C-13-H3C(O)CH3
  338499.0996  0.0083 -6.2108 3  208.4793228  595161404281613 4    281316 4      C-13-H3C(O)CH3
  338500.4043  0.0071 -6.2108 3  208.4793228  595161404281613 3    281316 3      C-13-H3C(O)CH3
  338522.8547  0.0069 -5.9081 3  208.4888456  595161404281613 2    281316 2      C-13-H3C(O)CH3
  338524.0260  0.1059 -6.2974 3 1496.6680612  595161404763442 4    763343 4      C-13-H3C(O)CH3
  338524.0260  0.1059 -6.2974 3 1496.6680612  595161404763542 4    763443 4      C-13-H3C(O)CH3
  338524.0681  0.1059 -6.2974 3 1496.6680612  595161404763442 3    763343 3      C-13-H3C(O)CH3
  338524.0681  0.1059 -6.2974 3 1496.6680612  595161404763542 3    763443 3      C-13-H3C(O)CH3
  338554.0227  0.1154 -5.9963 3 1496.6509C24  595161404763542 1    763443 1      C-13-H3C(O)CH3
  338554.0227  0.1154 -5.9963 3 1496.6509C24  595161404763442 1    763343 1      C-13-H3C(O)CH3
  338556.2096  0.1104 -5.9979 3 1496.6538C24  595161404763542 2    763443 2      C-13-H3C(O)CH3
  338556.2096  0.1104 -5.9973 3 1496.6538C24  595161404763442 2    763343 2      C-13-H3C(O)CH3
  338557.9525  0.0216 -6.6658 3   89.1955148  5951614041814 4 4    1713 5 4      C-13-H3C(O)CH3
  338579.7460  0.0109 -5.0615 3  268.3860504  595161404312110 1    3022 8 1      C-13-H3C(O)CH3
  338586.1485  0.1171 -5.9962 3 1496.6367C24  595161404763442 0    763343 0      C-13-H3C(O)CH3
  338586.1486  0.1171 -5.9962 3 1496.6367C24  595161404763542 0    763443 0      C-13-H3C(O)CH3
  338595.5679  0.3010 -6.8875 3 1722.7541612  595161404766016 4    765917 4      C-13-H3C(O)CH3
  338595.6036  0.0088 -4.8510 3  268.4073504  595161404312110 0    3022 9 0      C-13-H3C(O)CH3
  338595.9638  0.0069 -5.9084 3  208.4917456  595161404281613 1    281316 1      C-13-H3C(O)CH3
  338597.4027  0.3322 -6.8510 3 1882.8361C88  595161404806119 1    806020 1      C-13-H3C(O)CH3
  338607.8253  0.0114 -5.6244 3  358.9029584  595161404362314 2    362017 2      C-13-H3C(O)CH3
  338618.8583  0.0066 -5.9065 3  208.5013456  595161404281613 0    281316 0      C-13-H3C(O)CH3
  338634.6087  0.0929 -6.2186 3  521.6652348  595161404432914 4    432617 4      C-13-H3C(O)CH3
  338635.9508  0.0043 -4.6121 3   51.8575248  59516140415 8 8 0    14 5 9 0      C-13-H3C(O)CH3
  338656.4114  0.0106 -5.9257 3  358.8800292  595161404362314 4    362017 4      C-13-H3C(O)CH3
  338658.0933  0.0214 -5.8020 3  386.8479292  5951614043629 8 4    3530 6 4      C-13-H3C(O)CH3
  338665.0392  0.0106 -5.6426 3  337.6075568  595161404352214 0    351917 0      C-13-H3C(O)CH3
  338665.3141  0.0111 -5.9255 3  358.8800292  595161404362314 3    362017 3      C-13-H3C(O)CH3
  338689.9961  0.0115 -6.6718 3   37.6370200  5951614041211 1 1    11 8 4 1      C-13-H3C(O)CH3
  338691.1861  0.3885 -6.8509 3 1882.8398C88  595161404806119 2    806020 2      C-13-H3C(O)CH3
  338693.5670  0.0196 -5.8029 3  386.8577292  5951614043629 8 3    3530 6 3      C-13-H3C(O)CH3
  338711.4704  0.0025 -3.7962 3  191.6674268  59516140433 331 3    32 230 3      C-13-H3C(O)CH3
  338711.4704  0.0025 -5.3621 3  191.6674268  59516140433 231 3    32 330 3      C-13-H3C(O)CH3
  338711.4748  0.0025 -3.6712 3  191.6674268 -59516140433 331 3    32 330 3      C-13-H3C(O)CH3
  338711.4748  0.0024 -3.6656 3  191.6675268 -59516140433 331 4    32 330 4      C-13-H3C(O)CH3
  338711.4748  0.0024 -3.6696 3  191.6675268 -59516140433 231 4    32 230 4      C-13-H3C(O)CH3
  338711.4748  0.0025 -4.2391 3  191.6674268 -59516140433 231 3    32 230 3      C-13-H3C(O)CH3
  338711.4928  0.0024 -5.8117 3  191.6675268  59516140433 231 4    32 330 4      C-13-H3C(O)CH3
  338711.4928  0.0024 -5.4488 3  191.6675268  59516140433 331 4    32 230 4      C-13-H3C(O)CH3
  338714.6388  0.2596 -6.8873 3 1722.7163612  595161404766017 3    765918 3      C-13-H3C(O)CH3
  338714.9959  0.0047 -3.8990 3  105.5467328 -5951614042013 8 0    1912 7 0      C-13-H3C(O)CH3
  338723.0477  0.0104 -5.6430 3  337.5847568  595161404352214 1    351917 1      C-13-H3C(O)CH3
  338742.3670  0.0026 -5.7640 3  191.6286536  59516140433 331 1    32 330 1      C-13-H3C(O)CH3
  338742.3670  0.0026 -3.3630 3  191.6286536  59516140433 231 1    32 330 1      C-13-H3C(O)CH3
  338742.4313  0.0026 -3.5171 3  191.6282536 -59516140433 331 2    32 330 2      C-13-H3C(O)CH3
  338742.4313  0.0026 -3.8820 3  191.6282536 -59516140433 231 2    32 330 2      C-13-H3C(O)CH3
  338742.4313  0.0026 -3.3630 3  191.6286536 -59516140433 331 1    32 230 1      C-13-H3C(O)CH3
  338742.4313  0.0026 -5.7640 3  191.6286536 -59516140433 231 1    32 230 1      C-13-H3C(O)CH3
  338742.4897  0.0026 -3.8820 3  191.6282536  59516140433 331 2    32 230 2      C-13-H3C(O)CH3
  338742.4897  0.0026 -3.5171 3  191.6282536  59516140433 231 2    32 230 2      C-13-H3C(O)CH3
  338743.3941  0.0112 -6.6403 3   37.6394200  5951614041211 1 2    11 8 4 2      C-13-H3C(O)CH3
  338764.8643  0.0174 -6.6565 3  174.3005392  5951614042421 3 1    2418 6 1      C-13-H3C(O)CH3
  338765.6366  0.0119 -6.4959 3  725.3836904  595161404561640 0    561641 0      C-13-H3C(O)CH3
  338765.6366  0.0119 -6.3389 3  725.3836904  595161404561740 0    561641 0      C-13-H3C(O)CH3
  338765.6366  0.0119 -4.7107 3  725.3836904  595161404561740 0    561541 0      C-13-H3C(O)CH3
  338765.6366  0.0119 -4.7076 3  725.3836904  595161404561640 0    561541 0      C-13-H3C(O)CH3
  338773.3059  0.0022 -3.3992 3  191.5895536  59516140433 231 0    32 230 0      C-13-H3C(O)CH3
  338773.3059  0.0022 -3.3992 3  191.5895536  59516140433 331 0    32 330 0      C-13-H3C(O)CH3
  338773.3288  0.0022 -4.4375 3  191.5895536 -59516140433 331 0    32 230 0      C-13-H3C(O)CH3
  338773.3288  0.0022 -4.4375 3  191.5895536 -59516140433 231 0    32 330 0      C-13-H3C(O)CH3
  338778.9246  0.2836 -6.8506 3 1882.8109C88  595161404806120 2    806021 2      C-13-H3C(O)CH3
  338781.0038  0.2413 -6.5862 3 1722.7604C24  595161404766016 1    765917 1      C-13-H3C(O)CH3
  338785.3125  0.0991 -6.8633 3  532.9547712  595161404442618 2    432914 2      C-13-H3C(O)CH3
  338792.9220  0.2825 -6.5862 3 1722.7678C24  595161404766016 2    765917 2      C-13-H3C(O)CH3
  338797.5788  0.0105 -5.6433 3  337.5797568  595161404352214 2    351917 2      C-13-H3C(O)CH3
  338803.0114  0.3068 -6.8871 3 1722.7175612  595161404766016 3    765917 3      C-13-H3C(O)CH3
  338808.6490  0.3227 -6.8505 3 1882.7994C88  595161404806120 1    806021 1      C-13-H3C(O)CH3
  338809.3613  0.0154 -5.1014 3  268.3803504  595161404312110 2    3022 9 2      C-13-H3C(O)CH3
  338812.6353  0.0149 -5.3910 3  268.3581252  595161404312110 3    3022 8 3      C-13-H3C(O)CH3
  338823.6564  0.0028 -6.5566 3   95.9817156  5951614041913 6 3    1812 6 3      C-13-H3C(O)CH3
  338844.6996  0.0142 -6.1181 3  725.3644904  595161404561740 1    561641 1      C-13-H3C(O)CH3
  338844.6996  0.0142 -4.7172 3  725.3644904  595161404561740 1    561541 1      C-13-H3C(O)CH3
  338844.6996  0.0142 -4.7172 3  725.3644904  595161404561640 1    561641 1      C-13-H3C(O)CH3
  338844.6996  0.0142 -6.1181 3  725.3644904  595161404561640 1    561541 1      C-13-H3C(O)CH3
  338845.3011  0.0145 -5.2530 3  725.3641904  595161404561740 2    561541 2      C-13-H3C(O)CH3
  338845.3011  0.0145 -4.8430 3  725.3641904  595161404561640 2    561541 2      C-13-H3C(O)CH3
  338845.3011  0.0145 -4.8430 3  725.3641904  595161404561740 2    561641 2      C-13-H3C(O)CH3
  338845.3011  0.0145 -5.2530 3  725.3641904  595161404561640 2    561641 2      C-13-H3C(O)CH3
  338847.3719  0.2738 -6.8506 3 1882.8520C88  595161404806120 0    806021 0      C-13-H3C(O)CH3
  338847.3719  0.2738 -6.8506 3 1882.8520C88  595161404806119 0    806020 0      C-13-H3C(O)CH3
  338851.3017  0.0098 -5.9446 3  337.5569284  595161404352214 4    351917 4      C-13-H3C(O)CH3
  338852.0956  0.0021 -4.1338 3  148.6949196 -595161404241212 3    231311 3      C-13-H3C(O)CH3
  338854.3919  0.0099 -5.9446 3  337.5569284  595161404352214 3    351917 3      C-13-H3C(O)CH3
  338857.8740  0.0021 -4.1337 3  148.6948196 -595161404241212 4    231311 4      C-13-H3C(O)CH3
  338911.9712  0.2334 -6.5859 3 1722.7300C24  595161404766017 2    765918 2      C-13-H3C(O)CH3
  338918.0069  0.0716 -6.2501 3  475.3950332  595161404412813 4    412516 4      C-13-H3C(O)CH3
  338921.9755  0.2891 -6.8868 3 1722.6798612  595161404766017 4    765918 4      C-13-H3C(O)CH3
  338924.4695  0.0147 -5.0033 3  725.3448452  595161404561740 3    561541 3      C-13-H3C(O)CH3
  338924.4695  0.0147 -5.0033 3  725.3448452  595161404561640 3    561641 3      C-13-H3C(O)CH3
  338924.5732  0.0147 -5.3573 3  725.3448452  595161404561640 4    561641 4      C-13-H3C(O)CH3
  338924.5732  0.0147 -5.2530 3  725.3448452  595161404561640 4    561541 4      C-13-H3C(O)CH3
  338924.5732  0.0147 -5.3573 3  725.3448452  595161404561740 4    561541 4      C-13-H3C(O)CH3
  338924.5732  0.0147 -5.2530 3  725.3448452  595161404561740 4    561641 4      C-13-H3C(O)CH3
  338928.3090  0.0021 -3.8336 3  148.6894392 -595161404241212 2    231311 2      C-13-H3C(O)CH3
  338947.8067  0.0021 -3.8329 3  148.6936392 -595161404241212 1    231311 1      C-13-H3C(O)CH3
  338955.8965  0.0172 -6.6552 3  174.2626392  5951614042421 4 2    2418 7 2      C-13-H3C(O)CH3
  338976.1293  0.0102 -5.2538 3  258.4023252  595161404311814 3    301911 3      C-13-H3C(O)CH3
  338978.1939  0.2326 -6.5859 3 1722.7742C24  595161404766017 0    765918 0      C-13-H3C(O)CH3
  338978.1939  0.2326 -6.5859 3 1722.7742C24  595161404766016 0    765917 0      C-13-H3C(O)CH3
  338988.3644  0.2445 -6.5858 3 1722.7239C24  595161404766017 1    765918 1      C-13-H3C(O)CH3
  338992.1083  0.0067 -5.2534 3  258.4017252  595161404311814 4    301911 4      C-13-H3C(O)CH3
  339010.7530  0.0171 -6.6528 3  174.2483392  5951614042421 4 1    2418 7 1      C-13-H3C(O)CH3
  339021.4038  0.0019 -3.8337 3  148.6881392 -595161404241212 0    231311 0      C-13-H3C(O)CH3
  339059.2279  0.0069 -4.9531 3  258.4220504  595161404311814 1    301911 1      C-13-H3C(O)CH3
  339081.9655  0.0121 -5.7785 3  276.9424520  595161404321814 2    321517 2      C-13-H3C(O)CH3
  339082.2767  0.0033 -4.7594 3   95.9902156  5951614041913 6 4    1812 6 4      C-13-H3C(O)CH3
  339091.1320  0.1835 -6.0528 3 1173.2982968  5951614046057 4 0    6056 4 0      C-13-H3C(O)CH3
  339091.1320  0.1835 -6.0528 3 1173.2982968  5951614046057 3 0    6056 5 0      C-13-H3C(O)CH3
  339106.5636  0.1610 -6.0530 3 1173.3165968  5951614046057 4 1    6056 5 1      C-13-H3C(O)CH3
  339118.6385  0.0028 -4.8789 3   95.9645312 -5951614041913 6 1    1812 6 1      C-13-H3C(O)CH3
  339136.7625  0.0161 -6.6596 3  174.3040392  5951614042421 3 2    2418 6 2      C-13-H3C(O)CH3
  339157.5116  0.0029 -5.0407 3   95.9602312  5951614041913 6 2    1812 6 2      C-13-H3C(O)CH3
  339159.1304  0.0210 -5.5217 3  268.3465252  595161404312110 3    3022 9 3      C-13-H3C(O)CH3
  339178.8343  0.0101 -5.7779 3  276.9660520  595161404321814 0    321517 0      C-13-H3C(O)CH3
  339181.9461  0.0066 -4.9481 3  258.4121504  595161404311814 2    301911 2      C-13-H3C(O)CH3
  339241.7022  0.0075 -6.8884 3   82.9713312  59516140419 712 2    19 415 2      C-13-H3C(O)CH3
  339243.7466  0.0152 -6.0803 3  276.9226260  595161404321814 3    321517 3      C-13-H3C(O)CH3
  339244.6091  0.0075 -6.8884 3   82.9713312  59516140419 812 2    19 515 2      C-13-H3C(O)CH3
  339252.6851  0.0143 -6.0803 3  276.9226260  595161404321814 4    321517 4      C-13-H3C(O)CH3
  339256.1090  0.0051 -4.9487 3  258.4321504  595161404311814 0    301911 0      C-13-H3C(O)CH3
  339256.9101  0.0143 -5.2646 3  268.3634504  595161404312110 1    3022 9 1      C-13-H3C(O)CH3
  339267.3963  0.0075 -6.8888 3   82.9720312  59516140419 712 1    19 415 1      C-13-H3C(O)CH3
  339267.5794  0.0041 -3.7178 3   89.8872140  5951614041717 0 4    1616 0 4      C-13-H3C(O)CH3
  339270.1972  0.0075 -6.8888 3   82.9720312  59516140419 812 1    19 515 1      C-13-H3C(O)CH3
  339271.1868  0.1737 -6.0527 3 1173.3385968  5951614046057 3 1    6056 4 1      C-13-H3C(O)CH3
  339279.5949  0.0027 -6.4798 3   93.6091156  5951614041912 8 4    1811 8 4      C-13-H3C(O)CH3
  339285.9099  0.1929 -6.0526 3 1173.3175968  5951614046057 3 2    6056 4 2      C-13-H3C(O)CH3
  339300.1504  0.2094 -6.1006 3  784.9948428  595161404533419 3    533122 3      C-13-H3C(O)CH3
  339302.2802  0.1779 -6.3538 3 1173.3358484  5951614046057 4 3    6056 5 3      C-13-H3C(O)CH3
  339333.7877  0.1627 -6.0526 3 1173.3131968  5951614046057 4 2    6056 5 2      C-13-H3C(O)CH3
  339341.4198  0.0124 -5.7788 3  276.9463520  595161404321814 1    321517 1      C-13-H3C(O)CH3
  339342.7298  0.0039 -3.7174 3   89.8046140  5951614041717 1 3    1616 1 3      C-13-H3C(O)CH3
  339349.5788  0.1793 -6.3538 3 1173.3314484  5951614046057 4 4    6056 5 4      C-13-H3C(O)CH3
  339377.5603  0.0106 -6.0024 3  691.7330888  595161404551540 0    551541 0      C-13-H3C(O)CH3
  339377.5603  0.0106 -4.6750 3  691.7330888  595161404551540 0    551441 0      C-13-H3C(O)CH3
  339377.5603  0.0106 -6.0024 3  691.7330888  595161404551640 0    551441 0      C-13-H3C(O)CH3
  339377.5603  0.0106 -4.6750 3  691.7330888  595161404551640 0    551541 0      C-13-H3C(O)CH3
  339400.0941  0.0042 -3.7173 3   89.8069140  5951614041717 0 3    1616 0 3      C-13-H3C(O)CH3
  339420.5290  0.0335 -5.5265 3 1122.3351A80  595161404672741 0    672642 0      C-13-H3C(O)CH3
  339420.5290  0.0335 -5.7612 3 1122.3351A80  595161404672741 0    672542 0      C-13-H3C(O)CH3
  339420.5290  0.0335 -5.5265 3 1122.3351A80  595161404672641 0    672542 0      C-13-H3C(O)CH3
  339420.5290  0.0335 -5.7612 3 1122.3351A80  595161404672641 0    672642 0      C-13-H3C(O)CH3
  339425.6858  0.0887 -6.6784 3  532.9099356  595161404442618 3    432915 3      C-13-H3C(O)CH3
  339440.2082  0.0356 -6.1764 3 1122.3509A80  595161404672741 1    672642 1      C-13-H3C(O)CH3
  339440.2082  0.0356 -5.4791 3 1122.3509A80  595161404672641 1    672542 1      C-13-H3C(O)CH3
  339440.2082  0.0356 -5.8569 3 1122.3509A80  595161404672641 1    672642 1      C-13-H3C(O)CH3
  339440.2082  0.0356 -5.3934 3 1122.3509A80  595161404672741 1    672542 1      C-13-H3C(O)CH3
  339444.8695  0.0414 -5.3272 3 1122.3520A80  595161404672741 2    672642 2      C-13-H3C(O)CH3
  339444.8695  0.0414 -5.3272 3 1122.3520A80  595161404672641 2    672542 2      C-13-H3C(O)CH3
  339451.4326  0.0130 -4.7119 3  691.7103888  595161404551640 1    551441 1      C-13-H3C(O)CH3
  339451.4326  0.0130 -5.5637 3  691.7103888  595161404551540 1    551441 1      C-13-H3C(O)CH3
  339451.4326  0.0130 -5.5637 3  691.7103888  595161404551640 1    551541 1      C-13-H3C(O)CH3
  339451.4326  0.0130 -4.7119 3  691.7103888  595161404551540 1    551541 1      C-13-H3C(O)CH3
  339451.6418  0.0130 -4.7092 3  691.7099888  595161404551540 2    551441 2      C-13-H3C(O)CH3
  339451.6418  0.0130 -5.5834 3  691.7099888  595161404551540 2    551541 2      C-13-H3C(O)CH3
  339451.6418  0.0130 -4.7092 3  691.7099888  595161404551640 2    551541 2      C-13-H3C(O)CH3
  339451.6418  0.0130 -5.5834 3  691.7099888  595161404551640 2    551441 2      C-13-H3C(O)CH3
  339464.6128  0.0398 -5.6284 3 1122.3678540  595161404672641 3    672542 3      C-13-H3C(O)CH3
  339464.6128  0.0398 -5.6284 3 1122.3678540  595161404672741 3    672642 3      C-13-H3C(O)CH3
  339464.6980  0.0398 -6.0678 3 1122.3678540  595161404672741 4    672642 4      C-13-H3C(O)CH3
  339464.6980  0.0398 -6.0678 3 1122.3678540  595161404672641 4    672542 4      C-13-H3C(O)CH3
  339464.6980  0.0398 -5.8242 3 1122.3678540  595161404672641 4    672642 4      C-13-H3C(O)CH3
  339464.6980  0.0398 -5.8242 3 1122.3678540  595161404672741 4    672542 4      C-13-H3C(O)CH3
  339467.2012  0.0022 -6.6697 3   93.5893312  5951614041912 8 1    1811 8 1      C-13-H3C(O)CH3
  339467.4104  0.2112 -6.3535 3 1173.3576484  5951614046057 3 4    6056 4 4      C-13-H3C(O)CH3
  339474.7893  0.0040 -3.7169 3   89.7246140 -5951614041717 1 4    1616 1 4      C-13-H3C(O)CH3
  339480.7934  0.1696 -6.1034 3 1363.1107A64  5951614046658 8 2    6657 9 2      C-13-H3C(O)CH3
  339483.6944  0.0023 -6.8807 3   93.5870312  5951614041912 8 2    1811 8 2      C-13-H3C(O)CH3
  339499.6872  0.0243 -5.5895 3  268.3354252  595161404312110 4    3022 9 4      C-13-H3C(O)CH3
  339515.1779  0.1735 -6.3535 3 1173.3533484  5951614046057 3 3    6056 4 3      C-13-H3C(O)CH3
  339516.7502  0.1554 -6.4045 3 1363.1208532  5951614046658 8 4    6657 9 4      C-13-H3C(O)CH3
  339525.6134  0.0138 -4.9564 3  691.6872444  595161404551640 3    551441 3      C-13-H3C(O)CH3
  339525.6134  0.0138 -4.9564 3  691.6872444  595161404551540 3    551541 3      C-13-H3C(O)CH3
  339525.6821  0.0138 -5.0034 3  691.6872444  595161404551540 4    551541 4      C-13-H3C(O)CH3
  339525.6821  0.0138 -5.9366 3  691.6872444  595161404551540 4    551441 4      C-13-H3C(O)CH3
  339525.6821  0.0138 -6.2206 3  691.6872444  595161404551640 4    551441 4      C-13-H3C(O)CH3
  339525.6821  0.0138 -4.9798 3  691.6872444  595161404551640 4    551541 4      C-13-H3C(O)CH3
  339534.0346  0.1950 -6.8000 3 1767.7657660  595161404823943 4    823844 4      C-13-H3C(O)CH3
  339534.0352  0.1950 -6.8000 3 1767.7657660  595161404824043 4    823944 4      C-13-H3C(O)CH3
  339534.1109  0.1950 -6.8000 3 1767.7657660  595161404823943 3    823844 3      C-13-H3C(O)CH3
  339534.1115  0.1950 -6.8000 3 1767.7657660  595161404824043 3    823944 3      C-13-H3C(O)CH3
  339535.9655  0.0037 -3.4160 3   89.8592280 -5951614041717 0 1    1616 0 1      C-13-H3C(O)CH3
  339541.3354  0.2012 -6.1033 3 1363.1079A64  5951614046658 9 0    6657 9 0      C-13-H3C(O)CH3
  339541.3354  0.2012 -6.1033 3 1363.1079A64  5951614046658 8 0    665710 0      C-13-H3C(O)CH3
  339554.5207  0.1457 -6.4044 3 1363.0950532  5951614046658 9 3    6657 9 3      C-13-H3C(O)CH3
  339566.1021  0.2075 -6.4994 3 1767.7632D20  595161404823943 2    823844 2      C-13-H3C(O)CH3
  339566.1026  0.2075 -6.4994 3 1767.7632D20  595161404824043 2    823944 2      C-13-H3C(O)CH3
  339567.9570  0.2235 -6.4989 3 1767.7602D20  595161404823943 1    823844 1      C-13-H3C(O)CH3
  339567.9578  0.2235 -6.4989 3 1767.7602D20  595161404824043 1    823944 1      C-13-H3C(O)CH3
  339577.3631  0.0037 -3.4159 3   89.8729280 -5951614041717 0 2    1616 0 2      C-13-H3C(O)CH3
  339577.6267  0.1600 -6.1034 3 1363.1180A64  5951614046658 8 1    6657 9 1      C-13-H3C(O)CH3
  339599.8790  0.2261 -6.4989 3 1767.7578D20  595161404823943 0    823844 0      C-13-H3C(O)CH3
  339599.8796  0.2261 -6.4989 3 1767.7578D20  595161404824043 0    823944 0      C-13-H3C(O)CH3
  339614.5848  0.1551 -6.1033 3 1363.0922A64  5951614046658 9 1    665710 1      C-13-H3C(O)CH3
  339622.6698  0.0186 -6.6566 3  174.2995392  5951614042421 3 0    2418 6 0      C-13-H3C(O)CH3
  339640.6019  0.2559 -6.1262 3  784.9951428  595161404533419 4    533122 4      C-13-H3C(O)CH3
  339641.3232  0.1651 -6.1032 3 1363.0818A64  5951614046658 9 2    665710 2      C-13-H3C(O)CH3
  339644.6486  0.1742 -6.6107 3 1536.7166572  595161404715912 4    715813 4      C-13-H3C(O)CH3
  339651.7138  0.0040 -3.4156 3   89.7904280 -5951614041717 1 2    1616 1 2      C-13-H3C(O)CH3
  339664.6901  0.0071 -6.8846 3   82.9322312  59516140419 712 0    19 415 0      C-13-H3C(O)CH3
  339667.6178  0.0071 -6.8846 3   82.9322312  59516140419 812 0    19 515 0      C-13-H3C(O)CH3
  339667.6765  0.0039 -3.4155 3   89.7790280 -5951614041717 1 1    1616 1 1      C-13-H3C(O)CH3
  339677.6627  0.1548 -6.4042 3 1363.0920532  5951614046658 8 3    665710 3      C-13-H3C(O)CH3
  339691.8059  0.0185 -6.6565 3  174.2972392  5951614042421 4 0    2418 7 0      C-13-H3C(O)CH3
  339708.5674  0.0100 -5.7001 3   43.6927216  5951614041311 3 0    12 8 4 0      C-13-H3C(O)CH3
  339714.5350  0.1716 -6.4042 3 1363.0662532  5951614046658 9 4    665710 4      C-13-H3C(O)CH3
  339733.8063  0.1992 -6.3095 3 1536.7227B44  595161404715912 2    715813 2      C-13-H3C(O)CH3
  339780.3463  0.0111 -5.5888 3   50.3532232  5951614041411 4 1    13 8 5 1      C-13-H3C(O)CH3
  339796.5365  0.1909 -6.6104 3 1536.6849572  595161404715912 3    715813 3      C-13-H3C(O)CH3
  339805.7751  0.1897 -6.6104 3 1536.6776572  595161404715913 3    715814 3      C-13-H3C(O)CH3
  339810.8620  0.1839 -6.3094 3 1536.7191B44  595161404715912 1    715813 1      C-13-H3C(O)CH3
  339814.2439  0.0030 -3.6797 3  194.0203276  59516140434 133 3    33 132 3      C-13-H3C(O)CH3
  339814.2439  0.0030 -3.6797 3  194.0203276  59516140434 233 3    33 232 3      C-13-H3C(O)CH3
  339814.2623  0.0029 -5.1101 3  194.0204276  59516140434 233 4    33 132 4      C-13-H3C(O)CH3
  339814.2623  0.0029 -5.1101 3  194.0204276  59516140434 133 4    33 232 4      C-13-H3C(O)CH3
  339814.2753  0.0030 -4.6303 3  194.0203276 -59516140434 233 3    33 132 3      C-13-H3C(O)CH3
  339814.2753  0.0029 -3.6484 3  194.0204276 -59516140434 233 4    33 232 4      C-13-H3C(O)CH3
  339814.2753  0.0029 -3.6484 3  194.0204276 -59516140434 133 4    33 132 4      C-13-H3C(O)CH3
  339814.2753  0.0030 -4.6303 3  194.0203276 -59516140434 133 3    33 232 3      C-13-H3C(O)CH3
  339834.0756  0.0031 -4.9157 3  193.9685552  59516140434 133 1    33 232 1      C-13-H3C(O)CH3
  339834.0756  0.0031 -3.3439 3  193.9685552  59516140434 233 1    33 232 1      C-13-H3C(O)CH3
  339834.1070  0.0031 -4.7193 3  193.9681552 -59516140434 233 2    33 232 2      C-13-H3C(O)CH3
  339834.1070  0.0031 -4.9157 3  193.9685552 -59516140434 233 1    33 132 1      C-13-H3C(O)CH3
  339834.1070  0.0031 -3.3439 3  193.9685552 -59516140434 133 1    33 132 1      C-13-H3C(O)CH3
  339834.1070  0.0031 -3.3506 3  193.9681552 -59516140434 133 2    33 232 2      C-13-H3C(O)CH3
  339834.1725  0.0031 -4.7193 3  193.9681552  59516140434 133 2    33 132 2      C-13-H3C(O)CH3
  339834.1725  0.0031 -3.3506 3  193.9681552  59516140434 233 2    33 132 2      C-13-H3C(O)CH3
  339845.3047  0.0040 -3.4151 3   89.8450280 -5951614041717 1 0    1616 0 0      C-13-H3C(O)CH3
  339845.3047  0.0040 -3.4151 3   89.8450280 -5951614041717 0 0    1616 1 0      C-13-H3C(O)CH3
  339853.8790  0.0026 -3.4475 3  193.9163552 -59516140434 233 0    33 232 0      C-13-H3C(O)CH3
  339853.8790  0.0026 -3.9649 3  193.9163552 -59516140434 133 0    33 232 0      C-13-H3C(O)CH3
  339853.9480  0.0026 -3.9649 3  193.9163552  59516140434 233 0    33 132 0      C-13-H3C(O)CH3
  339853.9480  0.0026 -3.4475 3  193.9163552  59516140434 133 0    33 132 0      C-13-H3C(O)CH3
  339884.2571  0.0017 -4.0230 3  156.7686204 -595161404251114 4    241213 4      C-13-H3C(O)CH3
  339884.2571  0.0016 -4.0230 3  156.7685204 -595161404251114 3    241213 3      C-13-H3C(O)CH3
  339894.7496  0.1993 -6.3092 3 1536.6837B44  595161404715913 2    715814 2      C-13-H3C(O)CH3
  339899.5385  0.2270 -6.3092 3 1536.7252B44  595161404715913 0    715813 0      C-13-H3C(O)CH3
  339899.5385  0.2270 -6.3092 3 1536.7252B44  595161404715912 0    715814 0      C-13-H3C(O)CH3
  339932.8374  0.0941 -6.2128 3 1451.5364604  595161404753442 4    753343 4      C-13-H3C(O)CH3
  339932.8374  0.0941 -6.2128 3 1451.5364604  595161404753342 4    753243 4      C-13-H3C(O)CH3
  339932.8686  0.0941 -6.2125 3 1451.5363604  595161404753442 3    753343 3      C-13-H3C(O)CH3
  339932.8686  0.0941 -6.2125 3 1451.5363604  595161404753342 3    753243 3      C-13-H3C(O)CH3
  339957.1713  0.2200 -6.6101 3 1536.6460572  595161404715913 4    715814 4      C-13-H3C(O)CH3
  339959.4082  0.1002 -5.9115 3 1451.5178C08  595161404753342 1    753243 1      C-13-H3C(O)CH3
  339959.4082  0.1002 -5.9114 3 1451.5178C08  595161404753442 1    753343 1      C-13-H3C(O)CH3
  339962.1978  0.0972 -5.9121 3 1451.5205C08  595161404753342 2    753243 2      C-13-H3C(O)CH3
  339962.1978  0.0972 -5.9124 3 1451.5205C08  595161404753442 2    753343 2      C-13-H3C(O)CH3
  339962.2278  0.1877 -6.3091 3 1536.6875B44  595161404715913 1    715814 1      C-13-H3C(O)CH3
  339963.6275  0.0094 -4.9769 3  658.6641872  595161404541540 0    541341 0      C-13-H3C(O)CH3
  339963.6275  0.0094 -4.9769 3  658.6641872  595161404541440 0    541441 0      C-13-H3C(O)CH3
  339963.6275  0.0094 -4.8586 3  658.6641872  595161404541540 0    541441 0      C-13-H3C(O)CH3
  339963.6275  0.0094 -4.8586 3  658.6641872  595161404541440 0    541341 0      C-13-H3C(O)CH3
  339968.5827  0.0019 -3.7220 3  156.7689408 -595161404251114 1    241213 1      C-13-H3C(O)CH3
  339976.1367  0.0019 -3.7222 3  156.7656408 -595161404251114 2    241213 2      C-13-H3C(O)CH3
  339982.6913  0.0111 -5.9519 3   43.7439216  5951614041311 2 1    12 8 4 1      C-13-H3C(O)CH3
  339985.9811  0.0017 -4.0227 3  156.7658204 -595161404251214 4    241113 4      C-13-H3C(O)CH3
  339986.4532  0.0016 -4.0227 3  156.7658204 -595161404251214 3    241113 3      C-13-H3C(O)CH3
  339988.7325  0.1017 -5.9116 3 1451.5020C08  595161404753342 0    753243 0      C-13-H3C(O)CH3
  339988.7325  0.1017 -5.9119 3 1451.5020C08  595161404753442 0    753343 0      C-13-H3C(O)CH3
  340000.1169  0.1739 -6.1152 3 1145.2736952  5951614045957 3 1    5956 4 1      C-13-H3C(O)CH3
  340010.3810  0.1957 -6.1150 3 1145.2493952  5951614045957 2 0    5956 4 0      C-13-H3C(O)CH3
  340010.3810  0.1957 -6.1150 3 1145.2493952  5951614045957 3 0    5956 3 0      C-13-H3C(O)CH3
  340028.4266  0.0118 -5.3349 3  658.6380872  595161404541540 2    541341 2      C-13-H3C(O)CH3
  340028.4266  0.0118 -5.3349 3  658.6380872  595161404541440 2    541441 2      C-13-H3C(O)CH3
  340028.4266  0.0118 -4.7036 3  658.6380872  595161404541540 2    541441 2      C-13-H3C(O)CH3
  340028.4266  0.0118 -4.7036 3  658.6380872  595161404541440 2    541341 2      C-13-H3C(O)CH3
  340028.5597  0.0119 -5.1736 3  658.6385872  595161404541440 1    541441 1      C-13-H3C(O)CH3
  340028.5597  0.0119 -4.7518 3  658.6385872  595161404541440 1    541341 1      C-13-H3C(O)CH3
  340028.5597  0.0119 -4.7518 3  658.6385872  595161404541540 1    541441 1      C-13-H3C(O)CH3
  340028.5597  0.0119 -5.1736 3  658.6385872  595161404541540 1    541341 1      C-13-H3C(O)CH3
  340060.1486  0.0018 -3.7222 3  156.7659408 -595161404251114 0    241213 0      C-13-H3C(O)CH3
  340070.2851  0.0019 -3.7217 3  156.7661408 -595161404251214 1    241113 1      C-13-H3C(O)CH3
  340081.3697  0.0019 -3.7219 3  156.7628408 -595161404251214 2    241113 2      C-13-H3C(O)CH3
  340093.4480  0.0130 -5.3006 3  658.6123436  595161404541440 3    541341 3      C-13-H3C(O)CH3
  340093.4480  0.0130 -5.3006 3  658.6123436  595161404541540 3    541441 3      C-13-H3C(O)CH3
  340093.4480  0.0130 -5.1422 3  658.6123436  595161404541440 3    541441 3      C-13-H3C(O)CH3
  340093.4480  0.0130 -5.1422 3  658.6123436  595161404541540 3    541341 3      C-13-H3C(O)CH3
  340093.4720  0.0129 -4.9704 3  658.6123436  595161404541540 4    541441 4      C-13-H3C(O)CH3
  340093.4720  0.0129 -5.8215 3  658.6123436  595161404541540 4    541341 4      C-13-H3C(O)CH3
  340093.4720  0.0129 -5.8215 3  658.6123436  595161404541440 4    541441 4      C-13-H3C(O)CH3
  340093.4720  0.0129 -4.9704 3  658.6123436  595161404541440 4    541341 4      C-13-H3C(O)CH3
  340144.7621  0.0113 -5.9612 3   43.7408216  5951614041311 2 2    12 8 4 2      C-13-H3C(O)CH3
  340161.0926  0.0102 -5.6854 3   50.3978116  5951614041411 4 3    13 8 5 3      C-13-H3C(O)CH3
  340165.0935  0.0018 -3.7219 3  156.7631408 -595161404251214 0    241113 0      C-13-H3C(O)CH3
  340180.7078  0.0120 -5.5845 3   50.3481232  5951614041411 4 2    13 8 5 2      C-13-H3C(O)CH3
  340189.9939  0.0824 -6.8270 3  532.8848356  595161404442618 4    432915 4      C-13-H3C(O)CH3
  340211.5092  0.1896 -6.1148 3 1145.2965952  5951614045957 2 1    5956 3 1      C-13-H3C(O)CH3
  340254.7232  0.0806 -6.4730 3  532.9057712  595161404442618 2    432915 2      C-13-H3C(O)CH3
  340262.7448  0.1944 -6.4159 3 1145.2986476  5951614045957 3 3    5956 4 3      C-13-H3C(O)CH3
  340263.8388  0.1909 -6.4160 3 1145.2991476  5951614045957 3 4    5956 4 4      C-13-H3C(O)CH3
  340272.1687  0.2121 -6.1146 3 1145.2743952  5951614045957 3 2    5956 4 2      C-13-H3C(O)CH3
  340273.7159  0.1752 -6.1148 3 1145.2748952  5951614045957 2 2    5956 3 2      C-13-H3C(O)CH3
  340287.1389  0.0040 -5.0807 3  243.3163244  595161404301813 4    291910 4      C-13-H3C(O)CH3
  340306.9819  0.0059 -5.0790 3  243.3157244  595161404301813 3    291910 3      C-13-H3C(O)CH3
  340309.3010  0.0159 -6.0818 3  563.3040744  595161404462323 1    452620 1      C-13-H3C(O)CH3
  340312.4437  0.0128 -6.2113 3   43.7951108  5951614041311 2 4    12 8 4 4      C-13-H3C(O)CH3
  340320.5084  0.0018 -3.9521 3  164.1901212 -595161404261016 4    251115 4      C-13-H3C(O)CH3
  340320.5084  0.0017 -3.9521 3  164.1901212 -595161404261016 3    251115 3      C-13-H3C(O)CH3
  340322.1104  0.0017 -3.9521 3  164.1901212 -595161404261116 3    251015 3      C-13-H3C(O)CH3
  340322.1104  0.0018 -3.9521 3  164.1901212 -595161404261116 4    251015 4      C-13-H3C(O)CH3
  340330.1915  0.0134 -6.0817 3  563.3198744  595161404462323 0    452620 0      C-13-H3C(O)CH3
  340337.2223  0.0177 -6.3811 3  563.2839372  595161404462323 3    452620 3      C-13-H3C(O)CH3
  340337.3421  0.0044 -4.7747 3  243.3297488  595161404301813 2    291910 2      C-13-H3C(O)CH3
  340340.1074  0.0179 -6.3811 3  563.2838372  595161404462323 4    452620 4      C-13-H3C(O)CH3
  340360.2369  0.0170 -6.0800 3  563.2998744  595161404462323 2    452620 2      C-13-H3C(O)CH3
  340377.7946  0.0045 -4.7787 3  243.3336488  595161404301813 1    291910 1      C-13-H3C(O)CH3
  340388.5382  0.0298 -5.2697 3 1082.3202A64  595161404662641 0    662542 0      C-13-H3C(O)CH3
  340388.5382  0.0298 -6.8166 3 1082.3202A64  595161404662641 0    662442 0      C-13-H3C(O)CH3
  340388.5382  0.0298 -5.2697 3 1082.3202A64  595161404662541 0    662442 0      C-13-H3C(O)CH3
  340388.5382  0.0298 -6.8166 3 1082.3202A64  595161404662541 0    662542 0      C-13-H3C(O)CH3
  340395.2127  0.0020 -3.6510 3  164.1909424 -595161404261016 1    251115 1      C-13-H3C(O)CH3
  340396.7729  0.0020 -3.6510 3  164.1908424 -595161404261116 1    251015 1      C-13-H3C(O)CH3
  340400.1497  0.0020 -3.6512 3  164.1885424 -595161404261016 2    251115 2      C-13-H3C(O)CH3
  340401.8225  0.0020 -3.6512 3  164.1885424 -595161404261116 2    251015 2      C-13-H3C(O)CH3
  340417.5378  0.0324 -5.4276 3 1082.3340A64  595161404662641 1    662442 1      C-13-H3C(O)CH3
  340417.5378  0.0324 -5.7466 3 1082.3340A64  595161404662541 1    662442 1      C-13-H3C(O)CH3
  340417.5378  0.0324 -5.7466 3 1082.3340A64  595161404662641 1    662542 1      C-13-H3C(O)CH3
  340417.5378  0.0324 -5.4276 3 1082.3340A64  595161404662541 1    662542 1      C-13-H3C(O)CH3
  340418.7898  0.0039 -4.7747 3  243.3472488  595161404301813 0    291910 0      C-13-H3C(O)CH3
  340422.0348  0.0380 -5.2632 3 1082.3349A64  595161404662541 2    662542 2      C-13-H3C(O)CH3
  340422.0348  0.0380 -5.2632 3 1082.3349A64  595161404662641 2    662442 2      C-13-H3C(O)CH3
  340451.1063  0.0356 -5.8793 3 1082.3488532  595161404662641 3    662542 3      C-13-H3C(O)CH3
  340451.1063  0.0356 -5.8404 3 1082.3488532  595161404662641 3    662442 3      C-13-H3C(O)CH3
  340451.1063  0.0356 -5.8793 3 1082.3488532  595161404662541 3    662442 3      C-13-H3C(O)CH3
  340451.1063  0.0356 -5.8404 3 1082.3488532  595161404662541 3    662542 3      C-13-H3C(O)CH3
  340451.2090  0.0357 -6.2091 3 1082.3488532  595161404662641 4    662442 4      C-13-H3C(O)CH3
  340451.2090  0.0357 -6.2091 3 1082.3488532  595161404662541 4    662542 4      C-13-H3C(O)CH3
  340451.2090  0.0357 -5.6682 3 1082.3488532  595161404662541 4    662442 4      C-13-H3C(O)CH3
  340451.2090  0.0357 -5.6682 3 1082.3488532  595161404662641 4    662542 4      C-13-H3C(O)CH3
  340474.6413  0.0018 -3.6511 3  164.1893424 -595161404261016 0    251115 0      C-13-H3C(O)CH3
  340475.3388  0.2325 -6.4155 3 1145.3214476  5951614045957 2 4    5956 3 4      C-13-H3C(O)CH3
  340476.2366  0.0018 -3.6511 3  164.1893424 -595161404261116 0    251015 0      C-13-H3C(O)CH3
  340476.4707  0.1867 -6.4156 3 1145.3220476  5951614045957 2 3    5956 3 3      C-13-H3C(O)CH3
  340509.7159  0.2622 -6.8334 3 1686.7868604  595161404756015 4    755916 4      C-13-H3C(O)CH3
  340525.8501  0.0084 -5.3807 3  626.1779856  595161404531440 0    531241 0      C-13-H3C(O)CH3
  340525.8501  0.0084 -5.3807 3  626.1779856  595161404531340 0    531341 0      C-13-H3C(O)CH3
  340525.8501  0.0084 -4.6473 3  626.1779856  595161404531440 0    531341 0      C-13-H3C(O)CH3
  340525.8501  0.0084 -4.6473 3  626.1779856  595161404531340 0    531241 0      C-13-H3C(O)CH3
  340533.1308  0.0095 -6.5111 3   50.3978116  5951614041411 3 3    13 8 5 3      C-13-H3C(O)CH3
  340577.1719  0.0109 -5.7915 3  626.1494856  595161404531440 2    531341 2      C-13-H3C(O)CH3
  340577.1719  0.0109 -4.6005 3  626.1494856  595161404531440 2    531241 2      C-13-H3C(O)CH3
  340577.1719  0.0109 -5.7915 3  626.1494856  595161404531340 2    531241 2      C-13-H3C(O)CH3
  340577.1719  0.0109 -4.6005 3  626.1494856  595161404531340 2    531341 2      C-13-H3C(O)CH3
  340577.5899  0.0111 -5.3616 3  626.1499856  595161404531340 1    531341 1      C-13-H3C(O)CH3
  340577.5899  0.0111 -4.6506 3  626.1499856  595161404531340 1    531241 1      C-13-H3C(O)CH3
  340577.5899  0.0111 -4.6506 3  626.1499856  595161404531440 1    531341 1      C-13-H3C(O)CH3
  340577.5899  0.0111 -5.3616 3  626.1499856  595161404531440 1    531241 1      C-13-H3C(O)CH3
  340628.9558  0.0121 -4.8938 3  626.1213428  595161404531440 4    531341 4      C-13-H3C(O)CH3
  340628.9558  0.0121 -6.2300 3  626.1213428  595161404531440 4    531241 4      C-13-H3C(O)CH3
  340628.9558  0.0121 -5.4298 3  626.1213428  595161404531340 4    531241 4      C-13-H3C(O)CH3
  340628.9558  0.0121 -5.0158 3  626.1213428  595161404531340 4    531341 4      C-13-H3C(O)CH3
  340628.9855  0.0122 -5.3481 3  626.1214428  595161404531340 3    531341 3      C-13-H3C(O)CH3
  340628.9855  0.0122 -5.0519 3  626.1214428  595161404531440 3    531341 3      C-13-H3C(O)CH3
  340628.9855  0.0122 -5.3481 3  626.1214428  595161404531440 3    531241 3      C-13-H3C(O)CH3
  340628.9855  0.0122 -5.0519 3  626.1214428  595161404531340 3    531241 3      C-13-H3C(O)CH3
  340640.1902  0.0151 -5.2986 3  358.9867568  5951614043527 9 0    3428 6 0      C-13-H3C(O)CH3
  340640.5962  0.0151 -5.2986 3  358.9867568  5951614043527 8 0    3428 7 0      C-13-H3C(O)CH3
  340644.0650  0.2446 -6.8331 3 1686.7487604  595161404756016 3    755917 3      C-13-H3C(O)CH3
  340678.9957  0.2617 -6.5321 3 1686.8010C08  595161404756015 2    755916 2      C-13-H3C(O)CH3
  340690.6392  0.0061 -6.0336 3   40.1302108  59516140413 9 4 3    12 6 7 3      C-13-H3C(O)CH3
  340694.9091  0.2275 -6.5321 3 1686.7936C08  595161404756015 1    755916 1      C-13-H3C(O)CH3
  340711.8627  0.2780 -6.8330 3 1686.7523604  595161404756015 3    755916 3      C-13-H3C(O)CH3
  340712.2040  0.0255 -6.4702 3   91.8313148  5951614041815 4 3    1714 3 3      C-13-H3C(O)CH3
  340743.1381  0.1741 -6.0854 3 1332.1179A48  5951614046558 7 2    6557 8 2      C-13-H3C(O)CH3
  340758.3405  0.0423 -6.4205 3  532.9035712  595161404442618 1    432915 1      C-13-H3C(O)CH3
  340759.6128  0.2016 -6.0853 3 1332.1137A48  5951614046558 8 0    6557 8 0      C-13-H3C(O)CH3
  340759.6128  0.2016 -6.0853 3 1332.1137A48  5951614046558 7 0    6557 9 0      C-13-H3C(O)CH3
  340811.1764  0.1658 -6.3864 3 1332.1325524  5951614046558 7 4    6557 8 4      C-13-H3C(O)CH3
  340811.7211  0.1498 -6.3864 3 1332.1079524  5951614046558 8 3    6557 9 3      C-13-H3C(O)CH3
  340813.1154  0.0154 -5.2988 3  358.9496568  5951614043527 8 1    3428 6 1      C-13-H3C(O)CH3
  340813.3020  0.2328 -6.5318 3 1686.7628C08  595161404756016 2    755917 2      C-13-H3C(O)CH3
  340823.9310  0.3024 -6.7881 3 1844.8628C72  595161404796118 1    796019 1      C-13-H3C(O)CH3
  340827.5783  0.1566 -6.0853 3 1332.1037A48  5951614046558 8 1    6557 9 1      C-13-H3C(O)CH3
  340827.7687  0.1631 -6.0853 3 1332.1283A48  5951614046558 7 1    6557 8 1      C-13-H3C(O)CH3
  340837.9876  0.1891 -6.2296 3 1117.7231936  5951614045857 2 1    5856 3 1      C-13-H3C(O)CH3
  340842.0309  0.0145 -5.2974 3  358.9565568  5951614043527 9 2    3428 7 2      C-13-H3C(O)CH3
  340846.0203  0.2793 -6.8327 3 1686.7142604  595161404756016 4    755917 4      C-13-H3C(O)CH3
  340863.9482  0.2414 -6.5318 3 1686.8078C08  595161404756015 0    755916 0      C-13-H3C(O)CH3
  340863.9482  0.2414 -6.5318 3 1686.8078C08  595161404756016 0    755917 0      C-13-H3C(O)CH3
  340878.4049  0.2123 -6.2293 3 1117.6931936  5951614045857 1 0    5856 2 0      C-13-H3C(O)CH3
  340878.4049  0.2123 -6.2293 3 1117.6931936  5951614045857 2 0    5856 3 0      C-13-H3C(O)CH3
  340880.0791  0.0786 -6.0660 3  749.7969420  595161404523220 3    522923 3      C-13-H3C(O)CH3
  340880.3360  0.0028 -3.8505 3   91.9006148  5951614041815 3 4    1714 3 4      C-13-H3C(O)CH3
  340888.3459  0.3587 -6.7880 3 1844.8687C72  595161404796118 2    796019 2      C-13-H3C(O)CH3
  340891.5107  0.1645 -6.0852 3 1332.0933A48  5951614046558 8 2    6557 9 2      C-13-H3C(O)CH3
  340896.8838  0.2347 -6.5317 3 1686.7591C08  595161404756016 1    755917 1      C-13-H3C(O)CH3
  340901.7110  0.0028 -3.8517 3   91.8313148 -5951614041815 3 3    1714 3 3      C-13-H3C(O)CH3
  340924.0636  0.0039 -4.1451 3  195.8356284 -59516140435 135 3    34 134 3      C-13-H3C(O)CH3
  340924.0636  0.0039 -4.1895 3  195.8356284 -59516140435 035 4    34 034 4      C-13-H3C(O)CH3
  340924.0636  0.0039 -3.7535 3  195.8356284 -59516140435 035 3    34 134 3      C-13-H3C(O)CH3
  340924.0636  0.0039 -3.7367 3  195.8356284 -59516140435 135 4    34 034 4      C-13-H3C(O)CH3
  340924.0696  0.0039 -3.7367 3  195.8356284  59516140435 035 4    34 134 4      C-13-H3C(O)CH3
  340924.0696  0.0039 -4.1895 3  195.8356284  59516140435 135 4    34 134 4      C-13-H3C(O)CH3
  340924.0742  0.0039 -3.7535 3  195.8356284  59516140435 135 3    34 034 3      C-13-H3C(O)CH3
  340924.0742  0.0039 -4.1451 3  195.8356284  59516140435 035 3    34 034 3      C-13-H3C(O)CH3
  340928.8627  0.0031 -3.8515 3   91.8241148  5951614041815 4 3    1714 4 3      C-13-H3C(O)CH3
  340929.2422  0.0045 -3.3044 3  195.7673568  59516140435 035 1    34 034 1      C-13-H3C(O)CH3
  340929.3468  0.0043 -3.3047 3  195.7669568 -59516140435 135 2    34 034 2      C-13-H3C(O)CH3
  340929.3468  0.0043 -3.3047 3  195.7669568 -59516140435 035 2    34 134 2      C-13-H3C(O)CH3
  340929.3468  0.0045 -3.3044 3  195.7673568 -59516140435 135 1    34 134 1      C-13-H3C(O)CH3
  340929.3787  0.0043 -6.5126 3  195.7669568  59516140435 035 2    34 034 2      C-13-H3C(O)CH3
  340929.3787  0.0043 -6.5126 3  195.7669568  59516140435 135 2    34 134 2      C-13-H3C(O)CH3
  340931.2135  0.0734 -6.0667 3  749.7970420  595161404523220 4    522923 4      C-13-H3C(O)CH3
  340934.5279  0.0039 -5.7601 3  195.6988568  59516140435 135 0    34 034 0      C-13-H3C(O)CH3
  340934.5279  0.0039 -3.3058 3  195.6988568  59516140435 035 0    34 034 0      C-13-H3C(O)CH3
  340934.5380  0.0039 -3.3058 3  195.6988568 -59516140435 135 0    34 134 0      C-13-H3C(O)CH3
  340934.5380  0.0039 -5.7601 3  195.6988568 -59516140435 035 0    34 134 0      C-13-H3C(O)CH3
  340947.5312  0.0151 -5.2978 3  358.9379568  5951614043527 9 1    3428 7 1      C-13-H3C(O)CH3
  340950.9609  0.0030 -3.8506 3   91.7549148  5951614041815 4 4    1714 4 4      C-13-H3C(O)CH3
  340959.4937  0.1712 -6.3862 3 1332.0834524  5951614046558 8 4    6557 9 4      C-13-H3C(O)CH3
  340959.9021  0.1571 -6.3862 3 1332.1079524  5951614046558 7 3    6557 8 3      C-13-H3C(O)CH3
  340989.9503  0.2754 -6.7878 3 1844.8378C72  595161404796119 2    796020 2      C-13-H3C(O)CH3
  340993.0579  0.0153 -5.2978 3  358.9602568  5951614043527 8 2    3428 6 2      C-13-H3C(O)CH3
  340994.1177  0.0125 -5.6185 3  380.8056600  595161404372414 0    372117 0      C-13-H3C(O)CH3
  340996.5661  0.0744 -5.7676 3  749.8054840  595161404523220 2    522923 2      C-13-H3C(O)CH3
  341011.6642  0.0163 -5.5986 3  358.9193284  5951614043527 9 3    3428 6 3      C-13-H3C(O)CH3
  341020.1192  0.0467 -6.3142 3  532.9181712  595161404442618 0    432915 0      C-13-H3C(O)CH3
  341042.9388  0.3037 -6.7877 3 1844.8275C72  595161404796119 1    796020 1      C-13-H3C(O)CH3
  341052.7181  0.0122 -5.6187 3  380.7830600  595161404372414 1    372117 1      C-13-H3C(O)CH3
  341054.0038  0.2622 -6.7878 3 1844.8807C72  595161404796118 0    796019 0      C-13-H3C(O)CH3
  341054.0038  0.2622 -6.7878 3 1844.8807C72  595161404796119 0    796020 0      C-13-H3C(O)CH3
  341063.2352  0.0272 -6.7276 3  261.1294244  5951614043023 8 4    302010 4      C-13-H3C(O)CH3
  341066.0008  0.0280 -5.6879 3  417.4501632  595161404392316 2    392019 2      C-13-H3C(O)CH3
  341066.0426  0.0056 -5.7350 3   40.0786216  59516140413 9 4 2    12 6 7 2      C-13-H3C(O)CH3
  341066.1879  0.0077 -6.2270 3  594.2750840  595161404521240 0    521141 0      C-13-H3C(O)CH3
  341066.1879  0.0077 -4.5473 3  594.2750840  595161404521240 0    521241 0      C-13-H3C(O)CH3
  341066.1879  0.0077 -4.5473 3  594.2750840  595161404521340 0    521141 0      C-13-H3C(O)CH3
  341066.1879  0.0077 -6.2270 3  594.2750840  595161404521340 0    521241 0      C-13-H3C(O)CH3
  341067.2151  0.0659 -5.7681 3  749.8081840  595161404523220 1    522923 1      C-13-H3C(O)CH3
  341069.4072  0.0018 -3.8965 3  170.9993220 -59516140427 918 3    261017 3      C-13-H3C(O)CH3
  341069.4072  0.0019 -3.8965 3  170.9994220 -595161404271018 4    26 917 4      C-13-H3C(O)CH3
  341069.4072  0.0018 -3.8965 3  170.9993220 -595161404271018 3    26 917 3      C-13-H3C(O)CH3
  341069.4072  0.0019 -3.8965 3  170.9994220 -59516140427 918 4    261017 4      C-13-H3C(O)CH3
  341095.8318  0.0061 -6.0671 3   40.1301108  59516140413 9 4 4    12 6 7 4      C-13-H3C(O)CH3
  341096.8495  0.2090 -6.2292 3 1117.7477936  5951614045857 1 1    5856 2 1      C-13-H3C(O)CH3
  341098.5057  0.0026 -3.5488 3   91.8607296 -5951614041815 3 1    1714 3 1      C-13-H3C(O)CH3
  341099.3321  0.0104 -5.3436 3  594.2450840  595161404521240 2    521141 2      C-13-H3C(O)CH3
  341099.3321  0.0104 -5.3436 3  594.2450840  595161404521340 2    521241 2      C-13-H3C(O)CH3
  341099.3321  0.0104 -4.6121 3  594.2450840  595161404521340 2    521141 2      C-13-H3C(O)CH3
  341099.3321  0.0104 -4.6121 3  594.2450840  595161404521240 2    521241 2      C-13-H3C(O)CH3
  341099.9725  0.0106 -4.9827 3  594.2455840  595161404521340 1    521241 1      C-13-H3C(O)CH3
  341099.9725  0.0106 -4.7315 3  594.2455840  595161404521340 1    521141 1      C-13-H3C(O)CH3
  341099.9725  0.0106 -5.8763 3  594.2455840  595161404521240 1    521141 1      C-13-H3C(O)CH3
  341099.9725  0.0106 -4.5586 3  594.2455840  595161404521240 1    521241 1      C-13-H3C(O)CH3
  341101.7544  0.0066 -4.3218 3   72.7371280 -5951614041710 7 2    16 9 8 2      C-13-H3C(O)CH3
  341101.8468  0.0051 -5.7396 3   40.0799216  59516140413 9 4 1    12 6 7 1      C-13-H3C(O)CH3
  341116.7752  0.2034 -6.5304 3 1117.7600468  5951614045857 2 4    5856 3 4      C-13-H3C(O)CH3
  341118.3433  0.0254 -6.4694 3   91.8241148  5951614041815 3 3    1714 4 3      C-13-H3C(O)CH3
  341133.0773  0.0114 -6.5691 3  594.2154420  595161404521240 4    521241 4      C-13-H3C(O)CH3
  341133.0773  0.0114 -4.8390 3  594.2154420  595161404521240 4    521141 4      C-13-H3C(O)CH3
  341133.0773  0.0114 -4.8472 3  594.2154420  595161404521340 4    521241 4      C-13-H3C(O)CH3
  341133.1687  0.0114 -5.0170 3  594.2155420  595161404521340 3    521141 3      C-13-H3C(O)CH3
  341133.1687  0.0114 -5.0170 3  594.2155420  595161404521240 3    521241 3      C-13-H3C(O)CH3
  341133.1687  0.0114 -5.3123 3  594.2155420  595161404521240 3    521141 3      C-13-H3C(O)CH3
  341133.1687  0.0114 -5.3123 3  594.2155420  595161404521340 3    521241 3      C-13-H3C(O)CH3
  341137.6009  0.0021 -3.5954 3  170.9995440 -595161404271018 1    26 917 1      C-13-H3C(O)CH3
  341137.6009  0.0021 -3.5954 3  170.9995440 -59516140427 918 1    261017 1      C-13-H3C(O)CH3
  341140.5664  0.0021 -3.5955 3  170.9978440 -59516140427 918 2    261017 2      C-13-H3C(O)CH3
  341140.5664  0.0021 -3.5955 3  170.9978440 -595161404271018 2    26 917 2      C-13-H3C(O)CH3
  341146.5301  0.0027 -3.5487 3   91.7844296 -5951614041815 4 1    1714 4 1      C-13-H3C(O)CH3
  341147.1435  0.0308 -5.9886 3  417.4263316  595161404392316 3    392019 3      C-13-H3C(O)CH3
  341147.5841  0.0174 -5.5976 3  358.9074284  5951614043527 9 4    3428 7 4      C-13-H3C(O)CH3
  341150.0740  0.0027 -3.5484 3   91.8654296 -5951614041815 3 2    1714 3 2      C-13-H3C(O)CH3
  341153.0673  0.0305 -5.9886 3  417.4263316  595161404392316 4    392019 4      C-13-H3C(O)CH3
  341156.7644  0.1898 -6.2291 3 1117.7300936  5951614045857 1 2    5856 2 2      C-13-H3C(O)CH3
  341162.5425  0.0179 -5.5991 3  358.9231284  5951614043527 8 4    3428 6 4      C-13-H3C(O)CH3
  341170.2081  0.2134 -6.5302 3 1117.7550468  5951614045857 2 3    5856 3 3      C-13-H3C(O)CH3
  341170.5386  0.0638 -5.7704 3  749.8165840  595161404523220 0    522923 0      C-13-H3C(O)CH3
  341171.4426  0.0026 -3.5486 3   91.7962296 -5951614041815 4 2    1714 4 2      C-13-H3C(O)CH3
  341172.3038  0.0068 -4.3203 3   72.7058280 -5951614041710 7 0    16 9 8 0      C-13-H3C(O)CH3
  341173.4412  0.0125 -5.1134 3  246.4085244  595161404301912 4    2920 9 4      C-13-H3C(O)CH3
  341185.1567  0.2010 -5.8432 3  844.0105888  595161404553520 0    553223 0      C-13-H3C(O)CH3
  341186.7420  0.0063 -4.6250 3   72.7709140  5951614041710 7 3    16 9 8 3      C-13-H3C(O)CH3
  341188.4551  0.0098 -5.6739 3  316.8365552  595161404342114 0    341817 0      C-13-H3C(O)CH3
  341208.5116  0.0019 -3.5954 3  170.9979440 -59516140427 918 0    261017 0      C-13-H3C(O)CH3
  341208.5116  0.0019 -3.5954 3  170.9979440 -595161404271018 0    26 917 0      C-13-H3C(O)CH3
  341209.9970  0.2355 -6.2289 3 1117.7250936  5951614045857 2 2    5856 3 2      C-13-H3C(O)CH3
  341216.6226  0.1626 -6.5707 3 1503.2507564  595161404705911 4    705812 4      C-13-H3C(O)CH3
  341233.0348  0.0095 -4.6256 3   72.7706140  5951614041710 7 4    16 9 8 4      C-13-H3C(O)CH3
  341233.1348  0.0065 -4.7359 3  246.4239488  595161404301912 2    2920 9 2      C-13-H3C(O)CH3
  341248.7552  0.0097 -5.6745 3  316.8143552  595161404342114 1    341817 1      C-13-H3C(O)CH3
  341249.5256  0.0127 -5.6209 3  380.7773600  595161404372414 2    372117 2      C-13-H3C(O)CH3
  341263.0695  0.0050 -5.7229 3   40.0285216  59516140413 9 4 0    12 6 7 0      C-13-H3C(O)CH3
  341266.7137  0.0098 -5.6745 3  316.8097552  595161404342114 2    341817 2      C-13-H3C(O)CH3
  341270.2601  0.1744 -6.7060 3 1719.2617652  595161404813843 4    813744 4      C-13-H3C(O)CH3
  341270.2603  0.1744 -6.7060 3 1719.2617652  595161404813943 4    813844 4      C-13-H3C(O)CH3
  341270.3336  0.1744 -6.7060 3 1719.2617652  595161404813843 3    813744 3      C-13-H3C(O)CH3
  341270.3338  0.1744 -6.7060 3 1719.2617652  595161404813943 3    813844 3      C-13-H3C(O)CH3
  341272.2224  0.1930 -6.2695 3 1503.2548B28  595161404705911 2    705812 2      C-13-H3C(O)CH3
  341275.0785  0.0837 -6.1312 3 1406.9634596  595161404743242 4    743143 4      C-13-H3C(O)CH3
  341275.0785  0.0837 -6.1349 3 1406.9634596  595161404743342 4    743243 4      C-13-H3C(O)CH3
  341275.0972  0.0837 -6.1308 3 1406.9633596  595161404743242 3    743143 3      C-13-H3C(O)CH3
  341275.0972  0.0837 -6.1308 3 1406.9633596  595161404743342 3    743243 3      C-13-H3C(O)CH3
  341278.0118  0.0067 -4.3229 3   72.7394280  5951614041710 7 1    16 9 8 1      C-13-H3C(O)CH3
  341288.0255  0.0053 -4.7242 3  246.4415488  595161404301912 0    2920 9 0      C-13-H3C(O)CH3
  341289.1681  0.0121 -5.9229 3  380.7547300  595161404372414 4    372117 4      C-13-H3C(O)CH3
  341296.9182  0.0158 -5.5981 3  358.9113284  5951614043527 8 3    3428 7 3      C-13-H3C(O)CH3
  341297.2543  0.0865 -5.8285 3 1406.9436B92  595161404743242 1    743143 1      C-13-H3C(O)CH3
  341297.2543  0.0865 -5.8289 3 1406.9436B92  595161404743342 1    743243 1      C-13-H3C(O)CH3
  341300.5956  0.0854 -6.2945 3 1406.9462B92  595161404743242 2    743243 2      C-13-H3C(O)CH3
  341300.5956  0.0854 -6.0097 3 1406.9462B92  595161404743342 2    743243 2      C-13-H3C(O)CH3
  341300.5956  0.0854 -5.8290 3 1406.9462B92  595161404743242 2    743143 2      C-13-H3C(O)CH3
  341301.2332  0.0162 -6.2658 3  636.4134792  595161404492425 0    482722 0      C-13-H3C(O)CH3
  341304.2496  0.1863 -6.4054 3 1719.2569D04  595161404813843 2    813744 2      C-13-H3C(O)CH3
  341304.2498  0.1863 -6.4054 3 1719.2569D04  595161404813943 2    813844 2      C-13-H3C(O)CH3
  341305.5452  0.2009 -6.4049 3 1719.2538D04  595161404813843 1    813744 1      C-13-H3C(O)CH3
  341305.5455  0.2009 -6.4049 3 1719.2538D04  595161404813943 1    813844 1      C-13-H3C(O)CH3
  341309.5721  0.0269 -5.2571 3 1042.8764A48  595161404652441 0    652342 0      C-13-H3C(O)CH3
  341309.5721  0.0269 -6.0328 3 1042.8764A48  595161404652441 0    652442 0      C-13-H3C(O)CH3
  341309.5721  0.0269 -5.2571 3 1042.8764A48  595161404652541 0    652442 0      C-13-H3C(O)CH3
  341309.5721  0.0269 -6.0328 3 1042.8764A48  595161404652541 0    652342 0      C-13-H3C(O)CH3
  341312.5701  0.0195 -6.2654 3  636.4018792  595161404492425 1    482722 1      C-13-H3C(O)CH3
  341319.9446  0.0132 -5.9211 3  380.7547300  595161404372414 3    372117 3      C-13-H3C(O)CH3
  341322.7583  0.0878 -5.8353 3 1406.9266B92  595161404743242 0    743143 0      C-13-H3C(O)CH3
  341322.7583  0.0878 -5.8320 3 1406.9266B92  595161404743342 0    743243 0      C-13-H3C(O)CH3
  341323.9671  0.0096 -5.9760 3  316.7874276  595161404342114 4    341817 4      C-13-H3C(O)CH3
  341326.0526  0.0094 -5.9761 3  316.7874276  595161404342114 3    341817 3      C-13-H3C(O)CH3
  341326.5901  0.0079 -4.7791 3  246.4232488  595161404301912 1    2920 9 1      C-13-H3C(O)CH3
  341339.4003  0.2034 -6.4048 3 1719.2490D04  595161404813843 0    813744 0      C-13-H3C(O)CH3
  341339.4005  0.2034 -6.4048 3 1719.2490D04  595161404813943 0    813844 0      C-13-H3C(O)CH3
  341345.4507  0.1752 -6.5705 3 1503.2212564  595161404705911 3    705812 3      C-13-H3C(O)CH3
  341348.0429  0.0300 -5.2211 3 1042.8879A48  595161404652441 1    652342 1      C-13-H3C(O)CH3
  341348.0429  0.0300 -6.3456 3 1042.8879A48  595161404652541 1    652342 1      C-13-H3C(O)CH3
  341348.0429  0.0300 -6.3456 3 1042.8879A48  595161404652441 1    652442 1      C-13-H3C(O)CH3
  341348.0429  0.0300 -5.2211 3 1042.8879A48  595161404652541 1    652442 1      C-13-H3C(O)CH3
  341349.3522  0.0182 -5.6892 3  417.4785632  595161404392316 0    392019 0      C-13-H3C(O)CH3
  341352.2909  0.0351 -6.7868 3 1042.8886A48  595161404652441 2    652342 2      C-13-H3C(O)CH3
  341352.2909  0.0351 -5.2008 3 1042.8886A48  595161404652441 2    652442 2      C-13-H3C(O)CH3
  341352.2909  0.0351 -6.7868 3 1042.8886A48  595161404652541 2    652442 2      C-13-H3C(O)CH3
  341352.2909  0.0351 -5.2008 3 1042.8886A48  595161404652541 2    652342 2      C-13-H3C(O)CH3
  341354.6512  0.0227 -6.2638 3  636.3988792  595161404492425 2    482722 2      C-13-H3C(O)CH3
  341357.4342  0.0026 -3.5477 3   91.8258296 -5951614041815 4 0    1714 3 0      C-13-H3C(O)CH3
  341361.9564  0.1816 -6.2694 3 1503.2536B28  595161404705911 1    705812 1      C-13-H3C(O)CH3
  341363.4123  0.0049 -3.9773 3  151.3405392 -595161404241311 2    231410 2      C-13-H3C(O)CH3
  341365.0464  0.0244 -6.5645 3  636.3872396  595161404492425 3    482722 3      C-13-H3C(O)CH3
  341366.0354  0.0245 -6.5645 3  636.3871396  595161404492425 4    482722 4      C-13-H3C(O)CH3
  341376.9561  0.0026 -3.5477 3   91.8253296 -5951614041815 3 0    1714 4 0      C-13-H3C(O)CH3
  341377.1214  0.2012 -6.5300 3 1117.7847468  5951614045857 1 3    5856 2 3      C-13-H3C(O)CH3
  341384.6486  0.1819 -6.5704 3 1503.2139564  595161404705912 3    705813 3      C-13-H3C(O)CH3
  341390.8410  0.0320 -5.5028 3 1042.9001524  595161404652441 3    652342 3      C-13-H3C(O)CH3
  341390.8410  0.0320 -5.5028 3 1042.9001524  595161404652541 3    652442 3      C-13-H3C(O)CH3
  341390.9603  0.0321 -6.6407 3 1042.9001524  595161404652441 4    652342 4      C-13-H3C(O)CH3
  341390.9603  0.0321 -5.4945 3 1042.9001524  595161404652541 4    652342 4      C-13-H3C(O)CH3
  341390.9603  0.0321 -5.5225 3 1042.9001524  595161404652441 4    652442 4      C-13-H3C(O)CH3
  341400.5462  0.0093 -5.0479 3  246.4012244  595161404301912 3    2920 9 3      C-13-H3C(O)CH3
  341417.0527  0.2329 -6.2693 3 1503.2576B28  595161404705911 0    705812 0      C-13-H3C(O)CH3
  341417.0527  0.2329 -6.2693 3 1503.2576B28  595161404705912 0    705813 0      C-13-H3C(O)CH3
  341426.7383  0.0061 -4.2759 3  151.3444196  595161404241311 3    231410 3      C-13-H3C(O)CH3
  341428.8917  0.0042 -3.9778 3  151.3405392 -595161404241311 0    231410 0      C-13-H3C(O)CH3
  341429.1883  0.0203 -5.6889 3  417.4548632  595161404392316 1    392019 1      C-13-H3C(O)CH3
  341431.1264  0.2566 -6.5298 3 1117.7796468  5951614045857 1 4    5856 2 4      C-13-H3C(O)CH3
  341440.0120  0.1973 -6.2692 3 1503.2180B28  595161404705912 2    705813 2      C-13-H3C(O)CH3
  341460.4520  0.0055 -4.2758 3  151.3437196 -595161404241311 4    231410 4      C-13-H3C(O)CH3
  341472.7821  0.0173 -6.4061 3  261.1482488  5951614043023 8 1    302010 1      C-13-H3C(O)CH3
  341487.4322  0.0237 -6.6958 3  261.1287244  5951614043023 8 3    302010 3      C-13-H3C(O)CH3
  341490.1539  0.1838 -6.2692 3 1503.2240B28  595161404705912 1    705813 1      C-13-H3C(O)CH3
  341506.6764  0.0049 -3.9754 3  151.3441392 -595161404241311 1    231410 1      C-13-H3C(O)CH3
  341512.8701  0.2087 -6.5701 3 1503.1844564  595161404705912 4    705813 4      C-13-H3C(O)CH3
  341586.5454  0.0075 -4.6810 3  562.9562824  595161404511240 0    511041 0      C-13-H3C(O)CH3
  341586.5454  0.0075 -4.9889 3  562.9562824  595161404511140 0    511041 0      C-13-H3C(O)CH3
  341586.5454  0.0075 -4.6810 3  562.9562824  595161404511140 0    511141 0      C-13-H3C(O)CH3
  341586.5454  0.0075 -4.9889 3  562.9562824  595161404511240 0    511141 0      C-13-H3C(O)CH3
  341596.3021  0.0101 -4.5076 3  562.9258824  595161404511240 2    511041 2      C-13-H3C(O)CH3
  341596.3021  0.0101 -4.5076 3  562.9258824  595161404511140 2    511141 2      C-13-H3C(O)CH3
  341597.1003  0.0104 -4.8409 3  562.9262824  595161404511140 1    511141 1      C-13-H3C(O)CH3
  341597.1003  0.0104 -4.8409 3  562.9262824  595161404511240 1    511041 1      C-13-H3C(O)CH3
  341597.1003  0.0104 -4.7777 3  562.9262824  595161404511240 1    511141 1      C-13-H3C(O)CH3
  341597.1003  0.0104 -4.7777 3  562.9262824  595161404511140 1    511041 1      C-13-H3C(O)CH3
  341606.7205  0.0106 -5.3220 3  562.8957412  595161404511140 4    511141 4      C-13-H3C(O)CH3
  341606.7205  0.0106 -4.9668 3  562.8957412  595161404511240 4    511141 4      C-13-H3C(O)CH3
  341606.7205  0.0106 -4.9668 3  562.8957412  595161404511140 4    511041 4      C-13-H3C(O)CH3
  341606.7205  0.0106 -5.3220 3  562.8957412  595161404511240 4    511041 4      C-13-H3C(O)CH3
  341606.8792  0.0106 -6.5688 3  562.8957412  595161404511240 3    511141 3      C-13-H3C(O)CH3
  341606.8792  0.0106 -4.8156 3  562.8957412  595161404511240 3    511041 3      C-13-H3C(O)CH3
  341606.8792  0.0106 -4.8156 3  562.8957412  595161404511140 3    511141 3      C-13-H3C(O)CH3
  341606.8792  0.0106 -6.5688 3  562.8957412  595161404511140 3    511041 3      C-13-H3C(O)CH3
  341607.8153  0.0094 -5.3304 3   50.3027232  5951614041411 4 0    13 8 5 0      C-13-H3C(O)CH3
  341623.7243  0.2064 -6.4699 3 1090.6635920  5951614045757 1 1    5756 2 1      C-13-H3C(O)CH3
  341629.1927  0.0066 -6.8742 3   26.2037184  59516140411 8 4 0    10 3 7 0      C-13-H3C(O)CH3
  341648.9660  0.0047 -5.3833 3   37.9183116  59516140414 410 3    13 311 3      C-13-H3C(O)CH3
  341649.0469  0.0108 -5.4153 3   57.5106124  5951614041511 5 4    14 8 6 4      C-13-H3C(O)CH3
  341649.2860  0.0060 -5.3833 3   37.9183116  59516140414 410 4    13 311 4      C-13-H3C(O)CH3
  341649.8452  0.0047 -5.3833 3   37.9183116  59516140414 510 3    13 211 3      C-13-H3C(O)CH3
  341650.1534  0.0060 -5.3833 3   37.9183116  59516140414 510 4    13 211 4      C-13-H3C(O)CH3
  341677.7035  0.0216 -6.5514 3  261.1287244  5951614043023 7 3    302010 3      C-13-H3C(O)CH3
  341698.4656  0.2328 -6.4696 3 1090.6283920  5951614045757 1 0    5756 1 0      C-13-H3C(O)CH3
  341698.4656  0.2328 -6.4696 3 1090.6283920  5951614045757 0 0    5756 2 0      C-13-H3C(O)CH3
  341719.8686  0.0452 -6.7185 3  538.5272664  5951614044138 3 1    4039 1 1      C-13-H3C(O)CH3
  341814.7648  0.0074 -6.2931 3  191.7224220  595161404271413 3    271116 3      C-13-H3C(O)CH3
  341818.4067  0.0088 -6.2931 3  191.7224220  595161404271413 4    271116 4      C-13-H3C(O)CH3
  341841.1105  0.0068 -5.9903 3  191.7280440  595161404271413 2    271116 2      C-13-H3C(O)CH3
  341909.2291  0.2025 -6.0753 3 1301.6194A32  5951614046458 6 0    6457 7 0      C-13-H3C(O)CH3
  341909.2291  0.2025 -6.0753 3 1301.6194A32  5951614046458 7 0    6457 8 0      C-13-H3C(O)CH3
  341911.1019  0.2168 -6.7708 3 1090.7126460  5951614045757 1 4    5756 2 4      C-13-H3C(O)CH3
  341930.2200  0.2319 -6.4695 3 1090.6906920  5951614045757 0 1    5756 1 1      C-13-H3C(O)CH3
  341942.3476  0.1810 -6.0753 3 1301.6258A32  5951614046458 6 2    6457 7 2      C-13-H3C(O)CH3
  341944.1623  0.0459 -6.7187 3  538.4976664  5951614044138 3 2    4039 1 2      C-13-H3C(O)CH3
  341953.1388  0.0069 -5.9905 3  191.7305440  595161404271413 1    271116 1      C-13-H3C(O)CH3
  341966.7838  0.1604 -6.0753 3 1301.6153A32  5951614046458 7 1    6457 8 1      C-13-H3C(O)CH3
  341973.6316  0.0058 -5.0809 3   37.8576232  59516140414 410 2    13 311 2      C-13-H3C(O)CH3
  341974.5492  0.0058 -5.0809 3   37.8576232  59516140414 510 2    13 211 2      C-13-H3C(O)CH3
  341977.2569  0.0020 -3.8497 3  177.2273228 -59516140428 920 4    27 819 4      C-13-H3C(O)CH3
  341977.2569  0.0019 -3.8497 3  177.2273228 -59516140428 920 3    27 819 3      C-13-H3C(O)CH3
  341977.2569  0.0020 -3.8497 3  177.2273228 -59516140428 820 4    27 919 4      C-13-H3C(O)CH3
  341977.2569  0.0019 -3.8497 3  177.2273228 -59516140428 820 3    27 919 3      C-13-H3C(O)CH3
  341978.5002  0.0064 -5.9885 3  191.7362440  595161404271413 0    271116 0      C-13-H3C(O)CH3
  341982.5888  0.0056 -5.0811 3   37.8582232  59516140414 410 1    13 311 1      C-13-H3C(O)CH3
  341983.4771  0.0056 -5.0811 3   37.8582232  59516140414 510 1    13 211 1      C-13-H3C(O)CH3
  341985.3371  0.2061 -6.4694 3 1090.6773920  5951614045757 0 2    5756 1 2      C-13-H3C(O)CH3
  342000.6392  0.1577 -6.3763 3 1301.6217516  5951614046458 7 3    6457 8 3      C-13-H3C(O)CH3
  342003.9925  0.0195 -6.3383 3  261.1476488  5951614043023 8 2    302010 2      C-13-H3C(O)CH3
  342004.5379  0.0102 -5.6684 3   50.3532232  5951614041411 3 1    13 8 5 1      C-13-H3C(O)CH3
  342007.1274  0.1681 -6.0753 3 1301.6392A32  5951614046458 6 1    6457 7 1      C-13-H3C(O)CH3
  342027.4061  0.2351 -6.7705 3 1090.7038460  5951614045757 1 3    5756 2 3      C-13-H3C(O)CH3
  342040.2867  0.0022 -3.5486 3  177.2259456 -59516140428 920 1    27 819 1      C-13-H3C(O)CH3
  342040.2867  0.0022 -3.5486 3  177.2259456 -59516140428 820 1    27 919 1      C-13-H3C(O)CH3
  342040.4237  0.1789 -6.3763 3 1301.6455516  5951614046458 6 4    6457 7 4      C-13-H3C(O)CH3
  342042.2019  0.0022 -3.5487 3  177.2246456 -59516140428 820 2    27 919 2      C-13-H3C(O)CH3
  342042.2019  0.0022 -3.5487 3  177.2246456 -59516140428 920 2    27 819 2      C-13-H3C(O)CH3
  342050.7178  0.0100 -5.1131 3  532.1633404  595161404501040 4    501041 4      C-13-H3C(O)CH3
  342050.7178  0.0100 -5.0545 3  532.1633404  595161404501040 4    50 941 4      C-13-H3C(O)CH3
  342050.7178  0.0100 -5.0545 3  532.1633404  595161404501140 4    501041 4      C-13-H3C(O)CH3
  342050.7178  0.0100 -5.1131 3  532.1633404  595161404501140 4    50 941 4      C-13-H3C(O)CH3
  342050.9455  0.0100 -4.8073 3  532.1633404  595161404501140 3    501041 3      C-13-H3C(O)CH3
  342050.9455  0.0100 -6.0259 3  532.1633404  595161404501140 3    50 941 3      C-13-H3C(O)CH3
  342050.9455  0.0100 -4.8073 3  532.1633404  595161404501040 3    50 941 3      C-13-H3C(O)CH3
  342050.9455  0.0100 -6.0259 3  532.1633404  595161404501040 3    501041 3      C-13-H3C(O)CH3
  342060.0529  0.0234 -6.5307 3  261.1294244  5951614043023 7 4    302010 4      C-13-H3C(O)CH3
  342066.3800  0.0161 -6.2414 3  261.1482488  5951614043023 7 1    302010 1      C-13-H3C(O)CH3
  342067.6956  0.0338 -6.3336 3  504.4146648  5951614044036 4 1    3937 2 1      C-13-H3C(O)CH3
  342069.4199  0.0100 -4.5673 3  532.1925808  595161404501140 2    50 941 2      C-13-H3C(O)CH3
  342069.4199  0.0100 -4.5673 3  532.1925808  595161404501040 2    501041 2      C-13-H3C(O)CH3
  342069.5520  0.0100 -5.2239 3  532.1925808 -595161404501140 2    501041 2      C-13-H3C(O)CH3
  342069.5520  0.0100 -5.2239 3  532.1925808 -595161404501040 2    50 941 2      C-13-H3C(O)CH3
  342070.3124  0.0102 -5.9937 3  532.1930808  595161404501140 1    501041 1      C-13-H3C(O)CH3
  342070.3124  0.0102 -4.4943 3  532.1930808  595161404501140 1    50 941 1      C-13-H3C(O)CH3
  342070.3124  0.0102 -5.9937 3  532.1930808  595161404501040 1    50 941 1      C-13-H3C(O)CH3
  342070.3124  0.0102 -4.4943 3  532.1930808  595161404501040 1    501041 1      C-13-H3C(O)CH3
  342071.5364  0.1660 -6.0751 3 1301.6057A32  5951614046458 7 2    6457 8 2      C-13-H3C(O)CH3
  342075.9499  0.0393 -6.7168 3  538.4923664  5951614044138 3 0    4039 1 0      C-13-H3C(O)CH3
  342075.9499  0.0393 -6.7168 3  538.4923664  5951614044138 4 0    4039 2 0      C-13-H3C(O)CH3
  342088.6630  0.0076 -4.8065 3  532.2222808 -595161404501040 0    50 941 0      C-13-H3C(O)CH3
  342088.7641  0.0473 -6.7178 3  538.4550664  5951614044138 4 1    4039 2 1      C-13-H3C(O)CH3
  342088.7692  0.0076 -4.7584 3  532.2222808  595161404501140 0    50 941 0      C-13-H3C(O)CH3
  342088.7692  0.0076 -4.7584 3  532.2222808  595161404501040 0    501041 0      C-13-H3C(O)CH3
  342088.7692  0.0076 -4.8065 3  532.2222808  595161404501140 0    501041 0      C-13-H3C(O)CH3
  342101.8591  0.2630 -6.4691 3 1090.6685920  5951614045757 1 2    5756 2 2      C-13-H3C(O)CH3
  342105.0717  0.0020 -3.5486 3  177.2232456 -59516140428 820 0    27 919 0      C-13-H3C(O)CH3
  342105.0717  0.0020 -3.5486 3  177.2232456 -59516140428 920 0    27 819 0      C-13-H3C(O)CH3
  342106.5220  0.0403 -6.6359 3  504.4075324  5951614044036 4 4    3937 2 4      C-13-H3C(O)CH3
  342129.1504  0.1747 -6.3762 3 1301.6016516  5951614046458 7 4    6457 8 4      C-13-H3C(O)CH3
  342158.9989  0.0101 -5.6803 3   50.3481232  5951614041411 3 2    13 8 5 2      C-13-H3C(O)CH3
  342162.7068  0.1859 -5.8479 3  843.9941888  595161404553520 1    553223 1      C-13-H3C(O)CH3
  342169.8836  0.1623 -6.3761 3 1301.6255516  5951614046458 6 3    6457 7 3      C-13-H3C(O)CH3
  342186.1678  0.0246 -5.1244 3 1004.0051A32  595161404642341 0    642342 0      C-13-H3C(O)CH3
  342186.1678  0.0246 -5.1244 3 1004.0051A32  595161404642441 0    642242 0      C-13-H3C(O)CH3
  342208.8449  0.1413 -5.8578 3  872.0269904  595161404563521 0    563224 0      C-13-H3C(O)CH3
  342219.2851  0.2166 -6.7703 3 1090.7398460  5951614045757 0 3    5756 1 3      C-13-H3C(O)CH3
  342234.0125  0.0280 -5.4650 3 1004.0138A32  595161404642441 1    642342 1      C-13-H3C(O)CH3
  342234.0125  0.0280 -5.3883 3 1004.0138A32  595161404642341 1    642342 1      C-13-H3C(O)CH3
  342234.0125  0.0280 -5.4650 3 1004.0138A32  595161404642341 1    642242 1      C-13-H3C(O)CH3
  342234.0125  0.0280 -5.3883 3 1004.0138A32  595161404642441 1    642242 1      C-13-H3C(O)CH3
  342237.9369  0.0325 -5.2911 3 1004.0143A32  595161404642341 2    642242 2      C-13-H3C(O)CH3
  342237.9369  0.0325 -6.4942 3 1004.0143A32  595161404642341 2    642342 2      C-13-H3C(O)CH3
  342237.9369  0.0325 -5.6195 3 1004.0143A32  595161404642441 2    642242 2      C-13-H3C(O)CH3
  342237.9369  0.0325 -5.1429 3 1004.0143A32  595161404642441 2    642342 2      C-13-H3C(O)CH3
  342285.8680  0.0288 -6.0831 3 1004.0230516  595161404642341 3    642242 3      C-13-H3C(O)CH3
  342285.8680  0.0288 -6.0831 3 1004.0230516  595161404642441 3    642342 3      C-13-H3C(O)CH3
  342285.8680  0.0288 -5.5325 3 1004.0230516  595161404642441 3    642242 3      C-13-H3C(O)CH3
  342285.8680  0.0288 -5.5325 3 1004.0230516  595161404642341 3    642342 3      C-13-H3C(O)CH3
  342286.0023  0.0289 -5.4367 3 1004.0230516  595161404642341 4    642342 4      C-13-H3C(O)CH3
  342286.0023  0.0289 -5.4367 3 1004.0230516  595161404642441 4    642242 4      C-13-H3C(O)CH3
  342302.5069  0.2738 -5.8493 3  843.9912888  595161404553520 2    553223 2      C-13-H3C(O)CH3
  342306.5176  0.0058 -5.0796 3   37.7976232  59516140414 410 0    13 311 0      C-13-H3C(O)CH3
  342307.4499  0.0058 -5.0796 3   37.7976232  59516140414 510 0    13 211 0      C-13-H3C(O)CH3
  342322.1385  0.0315 -6.3321 3  504.3972648  5951614044036 5 0    3937 2 0      C-13-H3C(O)CH3
  342322.1385  0.0315 -6.3321 3  504.3972648  5951614044036 4 0    3937 3 0      C-13-H3C(O)CH3
  342322.5194  0.2283 -6.7822 3 1651.3345596  595161404746014 4    745915 4      C-13-H3C(O)CH3
  342336.9719  0.2836 -6.7700 3 1090.7309460  5951614045757 0 4    5756 1 4      C-13-H3C(O)CH3
  342354.9748  0.0073 -6.2884 3  246.3865488  595161404301912 2    292010 2      C-13-H3C(O)CH3
  342360.7703  0.0335 -6.3333 3  504.3902648  5951614044036 4 2    3937 2 2      C-13-H3C(O)CH3
  342380.4620  0.0123 -5.9305 3   50.3998116  5951614041411 3 4    13 8 5 4      C-13-H3C(O)CH3
  342391.2852  0.0021 -4.1214 3  148.6048196  595161404241312 4    231211 4      C-13-H3C(O)CH3
  342400.0107  0.0026 -4.1214 3  148.6045196 -595161404241312 3    231211 3      C-13-H3C(O)CH3
  342402.3529  0.0145 -6.0160 3  261.1666488  5951614043023 7 0    302010 0      C-13-H3C(O)CH3
  342407.3850  0.0184 -6.2987 3  261.1476488  5951614043023 7 2    302010 2      C-13-H3C(O)CH3
  342436.6413  0.0171 -6.2625 3  636.3757792  595161404492525 0    482622 0      C-13-H3C(O)CH3
  342437.8834  0.0040 -4.7711 3   95.6978156  5951614041913 7 4    1812 7 4      C-13-H3C(O)CH3
  342448.7496  0.0221 -6.4514 3  713.7486840  595161404522527 0    512824 0      C-13-H3C(O)CH3
  342449.8793  0.0372 -6.3326 3  504.3497648  5951614044036 5 1    3937 3 1      C-13-H3C(O)CH3
  342461.6549  0.2443 -6.4810 3 1651.3485B92  595161404746014 2    745915 2      C-13-H3C(O)CH3
  342465.8584  0.0096 -4.7655 3  502.0192396  59516140449 940 4    49 941 4      C-13-H3C(O)CH3
  342465.8584  0.0096 -4.7655 3  502.0192396  595161404491040 4    49 841 4      C-13-H3C(O)CH3
  342465.8584  0.0096 -6.7601 3  502.0192396  595161404491040 4    49 941 4      C-13-H3C(O)CH3
  342465.8584  0.0096 -6.7601 3  502.0192396  59516140449 940 4    49 841 4      C-13-H3C(O)CH3
  342466.1515  0.0095 -4.8579 3  502.0192396  595161404491040 3    49 941 3      C-13-H3C(O)CH3
  342466.1515  0.0095 -5.4605 3  502.0192396  595161404491040 3    49 841 3      C-13-H3C(O)CH3
  342466.1515  0.0095 -5.4605 3  502.0192396  59516140449 940 3    49 941 3      C-13-H3C(O)CH3
  342466.1515  0.0095 -4.8579 3  502.0192396  59516140449 940 3    49 841 3      C-13-H3C(O)CH3
  342470.7391  0.2313 -6.7819 3 1651.2966596  595161404746015 3    745916 3      C-13-H3C(O)CH3
  342475.3832  0.0256 -6.4507 3  713.7424840  595161404522527 1    512824 1      C-13-H3C(O)CH3
  342484.0396  0.0192 -6.2620 3  636.3628792  595161404492525 1    482622 1      C-13-H3C(O)CH3
  342486.6533  0.0452 -6.7164 3  538.4394664  5951614044138 4 2    4039 2 2      C-13-H3C(O)CH3
  342489.1482  0.0399 -6.6349 3  504.3427324  5951614044036 5 3    3937 3 3      C-13-H3C(O)CH3
  342501.8813  0.0304 -6.4495 3  713.7408840  595161404522527 2    512824 2      C-13-H3C(O)CH3
  342502.6596  0.2179 -6.4809 3 1651.3418B92  595161404746014 1    745915 1      C-13-H3C(O)CH3
  342505.3429  0.0025 -3.8205 3  148.6029392 -595161404241312 1    231211 1      C-13-H3C(O)CH3
  342514.0253  0.2505 -6.7819 3 1651.3022596  595161404746014 3    745915 3      C-13-H3C(O)CH3
  342519.9572  0.0098 -5.8148 3  502.0463792 -59516140449 940 2    49 841 2      C-13-H3C(O)CH3
  342519.9572  0.0098 -5.8148 3  502.0463792 -595161404491040 2    49 941 2      C-13-H3C(O)CH3
  342519.9682  0.0098 -4.4795 3  502.0463792  595161404491040 2    49 841 2      C-13-H3C(O)CH3
  342519.9682  0.0098 -4.4795 3  502.0463792  59516140449 940 2    49 941 2      C-13-H3C(O)CH3
  342520.8959  0.0100 -4.8124 3  502.0467792  59516140449 940 1    49 941 1      C-13-H3C(O)CH3
  342520.8959  0.0100 -4.8124 3  502.0467792  595161404491040 1    49 841 1      C-13-H3C(O)CH3
  342521.0036  0.0100 -4.7150 3  502.0467792 -595161404491040 1    49 941 1      C-13-H3C(O)CH3
  342521.0036  0.0100 -4.7150 3  502.0467792 -59516140449 940 1    49 841 1      C-13-H3C(O)CH3
  342528.2001  0.0325 -6.7499 3  713.7345420  595161404522527 3    512824 3      C-13-H3C(O)CH3
  342528.4915  0.0327 -6.7499 3  713.7345420  595161404522527 4    512824 4      C-13-H3C(O)CH3
  342531.5236  0.0400 -6.6338 3  504.3629324  5951614044036 4 3    3937 2 3      C-13-H3C(O)CH3
  342542.6855  0.0273 -6.2604 3  636.3593792  595161404492525 2    482622 2      C-13-H3C(O)CH3
  342554.4097  0.0744 -6.0499 3 1362.9506588  595161404733242 4    733143 4      C-13-H3C(O)CH3
  342554.4097  0.0744 -6.0561 3 1362.9506588  595161404733142 4    733043 4      C-13-H3C(O)CH3
  342554.4146  0.0744 -6.0544 3 1362.9506588  595161404733142 3    733043 3      C-13-H3C(O)CH3
  342554.4146  0.0744 -6.0514 3 1362.9506588  595161404733242 3    733143 3      C-13-H3C(O)CH3
  342569.3927  0.0025 -3.8209 3  148.5966392 -595161404241312 2    231211 2      C-13-H3C(O)CH3
  342571.2379  0.0744 -5.7471 3 1362.9301B76  595161404733242 1    733143 1      C-13-H3C(O)CH3
  342571.2379  0.0744 -5.7471 3 1362.9301B76  595161404733142 1    733043 1      C-13-H3C(O)CH3
  342574.6429  0.0079 -4.7191 3  502.0737792  595161404491040 0    49 941 0      C-13-H3C(O)CH3
  342574.6429  0.0079 -4.8071 3  502.0737792  595161404491040 0    49 841 0      C-13-H3C(O)CH3
  342574.6429  0.0079 -4.8071 3  502.0737792  59516140449 940 0    49 941 0      C-13-H3C(O)CH3
  342574.6429  0.0079 -4.7191 3  502.0737792  59516140449 940 0    49 841 0      C-13-H3C(O)CH3
  342575.0595  0.0752 -6.5187 3 1362.9325B76  595161404733142 2    733143 2      C-13-H3C(O)CH3
  342575.0595  0.0752 -6.5092 3 1362.9325B76  595161404733242 2    733043 2      C-13-H3C(O)CH3
  342575.0595  0.0752 -5.8290 3 1362.9325B76  595161404733242 2    733143 2      C-13-H3C(O)CH3
  342575.0595  0.0752 -5.8271 3 1362.9325B76  595161404733142 2    733043 2      C-13-H3C(O)CH3
  342590.0348  0.0290 -6.5609 3  636.3464396  595161404492525 4    482622 4      C-13-H3C(O)CH3
  342590.9577  0.0093 -6.3130 3  246.3615244  595161404301912 3    292010 3      C-13-H3C(O)CH3
  342591.1441  0.0288 -6.5609 3  636.3464396  595161404492525 3    482622 3      C-13-H3C(O)CH3
  342591.8988  0.0754 -6.6506 3 1362.9120B76  595161404733142 0    733143 0      C-13-H3C(O)CH3
  342591.8988  0.0754 -5.8045 3 1362.9120B76  595161404733142 0    733043 0      C-13-H3C(O)CH3
  342591.8988  0.0754 -6.6697 3 1362.9120B76  595161404733242 0    733043 0      C-13-H3C(O)CH3
  342591.8988  0.0754 -5.8018 3 1362.9120B76  595161404733242 0    733143 0      C-13-H3C(O)CH3
  342609.8006  0.2325 -6.4806 3 1651.3106B92  595161404746015 2    745916 2      C-13-H3C(O)CH3
  342631.0036  0.1315 -5.8579 3  872.0182904  595161404563521 1    563224 1      C-13-H3C(O)CH3
  342641.4759  0.2524 -6.4807 3 1651.3558B92  595161404746015 0    745915 0      C-13-H3C(O)CH3
  342641.4759  0.2524 -6.4807 3 1651.3558B92  595161404746014 0    745916 0      C-13-H3C(O)CH3
  342644.3289  0.1342 -5.8579 3  872.0173904  595161404563521 2    563224 2      C-13-H3C(O)CH3
  342661.9619  0.2671 -6.7815 3 1651.2643596  595161404746015 4    745916 4      C-13-H3C(O)CH3
  342677.7733  0.0023 -3.8210 3  148.5949392 -595161404241312 0    231211 0      C-13-H3C(O)CH3
  342683.7189  0.0174 -6.6705 3  215.2911220  5951614042722 5 3    2719 8 3      C-13-H3C(O)CH3
  342693.3504  0.0021 -6.5579 3   95.7068156  5951614041913 7 3    1812 7 3      C-13-H3C(O)CH3
  342693.8912  0.2268 -6.4805 3 1651.3095B92  595161404746015 1    745916 1      C-13-H3C(O)CH3
  342702.9560  0.0082 -5.6492 3  246.3772488  595161404301912 1    292010 1      C-13-H3C(O)CH3
  342708.5114  0.1593 -6.5349 3 1470.2925556  595161404695910 4    695811 4      C-13-H3C(O)CH3
  342709.4951  0.0223 -6.4507 3  713.7399840  595161404522627 0    512724 0      C-13-H3C(O)CH3
  342730.6745  0.1903 -6.2338 3 1470.2939B12  595161404695910 2    695811 2      C-13-H3C(O)CH3
  342748.6067  0.0253 -6.4499 3  713.7333840  595161404522627 1    512724 1      C-13-H3C(O)CH3
  342777.7404  0.0322 -6.4487 3  713.7316840  595161404522627 2    512724 2      C-13-H3C(O)CH3
  342784.4150  0.0350 -6.3312 3  504.3456648  5951614044036 5 2    3937 3 2      C-13-H3C(O)CH3
  342784.5207  0.0027 -4.8881 3   95.6868312 -5951614041913 7 1    1812 7 1      C-13-H3C(O)CH3
  342791.1337  0.0260 -6.0292 3  471.6067632  5951614043934 5 1    3835 3 1      C-13-H3C(O)CH3
  342809.7438  0.1647 -6.5347 3 1470.2649556  595161404695910 3    695811 3      C-13-H3C(O)CH3
  342809.7795  0.0144 -5.7588 3  246.3540244  595161404301912 4    292010 4      C-13-H3C(O)CH3
  342817.0052  0.0344 -6.7490 3  713.7249420  595161404522627 4    512724 4      C-13-H3C(O)CH3
  342817.3291  0.0342 -6.7490 3  713.7249420  595161404522627 3    512724 3      C-13-H3C(O)CH3
  342826.8550  0.1811 -6.2337 3 1470.2953B12  595161404695910 1    695811 1      C-13-H3C(O)CH3
  342848.5388  0.2366 -6.2336 3 1470.2966B12  595161404695910 0    695812 0      C-13-H3C(O)CH3
  342848.5388  0.2366 -6.2336 3 1470.2966B12  595161404695911 0    695811 0      C-13-H3C(O)CH3
  342851.4295  0.0026 -5.0513 3   95.6874312  5951614041913 7 2    1812 7 2      C-13-H3C(O)CH3
  342852.8971  0.0096 -5.0112 3  472.4646388  59516140448 940 4    48 741 4      C-13-H3C(O)CH3
  342852.8971  0.0096 -5.0881 3  472.4646388  59516140448 940 4    48 841 4      C-13-H3C(O)CH3
  342852.8971  0.0096 -5.0881 3  472.4646388  59516140448 840 4    48 741 4      C-13-H3C(O)CH3
  342852.8971  0.0096 -5.0112 3  472.4646388  59516140448 840 4    48 841 4      C-13-H3C(O)CH3
  342853.2442  0.0093 -4.7495 3  472.4646388  59516140448 940 3    48 841 3      C-13-H3C(O)CH3
  342853.2442  0.0093 -4.7495 3  472.4646388  59516140448 840 3    48 741 3      C-13-H3C(O)CH3
  342878.8578  0.1761 -6.5346 3 1470.2585556  595161404695911 3    695812 3      C-13-H3C(O)CH3
  342900.7417  0.1946 -6.2335 3 1470.2598B12  595161404695911 2    695812 2      C-13-H3C(O)CH3
  342910.3763  0.0450 -6.6328 3  504.2981324  5951614044036 5 4    3937 3 4      C-13-H3C(O)CH3
  342922.2969  0.1558 -6.6136 3 1671.3080644  595161404803743 4    803644 4      C-13-H3C(O)CH3
  342922.2970  0.1558 -6.6136 3 1671.3080644  595161404803843 4    803744 4      C-13-H3C(O)CH3
  342922.3661  0.1558 -6.6135 3 1671.3080644  595161404803743 3    803644 3      C-13-H3C(O)CH3
  342922.3662  0.1558 -6.6135 3 1671.3080644  595161404803843 3    803744 3      C-13-H3C(O)CH3
  342925.6028  0.2795 -6.7278 3 1807.4109C56  595161404786117 1    786018 1      C-13-H3C(O)CH3
  342927.3727  0.1809 -6.2335 3 1470.2677B12  595161404695911 1    695812 1      C-13-H3C(O)CH3
  342935.1976  0.0259 -6.0279 3  471.6053632  5951614043934 6 0    3835 4 0      C-13-H3C(O)CH3
  342935.1976  0.0259 -6.0279 3  471.6053632  5951614043934 5 0    3835 3 0      C-13-H3C(O)CH3
  342944.7937  0.0092 -5.0540 3   57.4680248  5951614041511 5 1    14 8 6 1      C-13-H3C(O)CH3
  342949.1757  0.0096 -4.4474 3  472.4877776  59516140448 840 2    48 841 2      C-13-H3C(O)CH3
  342949.1757  0.0096 -4.4474 3  472.4877776  59516140448 940 2    48 741 2      C-13-H3C(O)CH3
  342949.1986  0.0096 -6.8345 3  472.4877776 -59516140448 840 2    48 741 2      C-13-H3C(O)CH3
  342949.1986  0.0096 -6.8345 3  472.4877776 -59516140448 940 2    48 841 2      C-13-H3C(O)CH3
  342950.0872  0.0097 -4.4756 3  472.4882776  59516140448 940 1    48 741 1      C-13-H3C(O)CH3
  342950.0872  0.0097 -4.4756 3  472.4882776  59516140448 840 1    48 841 1      C-13-H3C(O)CH3
  342950.1904  0.0097 -5.6219 3  472.4882776 -59516140448 840 1    48 741 1      C-13-H3C(O)CH3
  342950.1904  0.0097 -5.6219 3  472.4882776 -59516140448 940 1    48 841 1      C-13-H3C(O)CH3
  342957.4958  0.1666 -6.3131 3 1671.3009C88  595161404803743 2    803644 2      C-13-H3C(O)CH3
  342957.4959  0.1666 -6.3131 3 1671.3009C88  595161404803843 2    803744 2      C-13-H3C(O)CH3
  342958.1286  0.1795 -6.3124 3 1671.2978C88  595161404803743 1    803644 1      C-13-H3C(O)CH3
  342958.1287  0.1795 -6.3124 3 1671.2978C88  595161404803843 1    803744 1      C-13-H3C(O)CH3
  342960.1009  0.3310 -6.7277 3 1807.4182C56  595161404786117 2    786018 2      C-13-H3C(O)CH3
  342965.6694  0.0020 -3.8087 3  182.8902236 -59516140429 822 3    28 721 3      C-13-H3C(O)CH3
  342965.6694  0.0020 -3.8087 3  182.8903236 -59516140429 722 4    28 821 4      C-13-H3C(O)CH3
  342965.6694  0.0020 -3.8087 3  182.8903236 -59516140429 822 4    28 721 4      C-13-H3C(O)CH3
  342965.7188  0.0020 -3.8087 3  182.8902236  59516140429 722 3    28 821 3      C-13-H3C(O)CH3
  342969.6299  0.0297 -6.3309 3  471.5913316  5951614043934 5 4    3835 3 4      C-13-H3C(O)CH3
  342979.3669  0.1988 -6.5344 3 1470.2308556  595161404695911 4    695812 4      C-13-H3C(O)CH3
  342993.2066  0.1818 -6.3124 3 1671.2907C88  595161404803743 0    803644 0      C-13-H3C(O)CH3
  342993.2067  0.1818 -6.3124 3 1671.2907C88  595161404803843 0    803744 0      C-13-H3C(O)CH3
  342994.5306  0.2053 -6.0753 3 1271.6233A16  5951614046358 5 0    6357 7 0      C-13-H3C(O)CH3
  342994.5306  0.2053 -6.0753 3 1271.6233A16  5951614046358 6 0    6357 6 0      C-13-H3C(O)CH3
  343019.5303  0.0209 -6.5852 3  215.3107220  5951614042722 5 4    2719 8 4      C-13-H3C(O)CH3
  343020.7686  0.0227 -5.1567 3  965.7074A16  595161404632241 0    632142 0      C-13-H3C(O)CH3
  343020.7686  0.0227 -5.7618 3  965.7074A16  595161404632241 0    632242 0      C-13-H3C(O)CH3
  343020.7686  0.0227 -5.7618 3  965.7074A16  595161404632341 0    632142 0      C-13-H3C(O)CH3
  343020.7686  0.0227 -5.1567 3  965.7074A16  595161404632341 0    632242 0      C-13-H3C(O)CH3
  343021.2404  0.0070 -5.2489 3   57.5092124  5951614041511 5 3    14 8 6 3      C-13-H3C(O)CH3
  343024.3505  0.0023 -3.5076 3  182.8863472 -59516140429 822 1    28 721 1      C-13-H3C(O)CH3
  343024.3505  0.0023 -3.5076 3  182.8863472 -59516140429 722 1    28 821 1      C-13-H3C(O)CH3
  343025.6684  0.0023 -3.5077 3  182.8853472 -59516140429 722 2    28 821 2      C-13-H3C(O)CH3
  343025.6684  0.0023 -3.5077 3  182.8853472 -59516140429 822 2    28 721 2      C-13-H3C(O)CH3
  343033.4832  0.0905 -6.1580 3  872.0083452  595161404563521 3    563224 3      C-13-H3C(O)CH3
  343036.5721  0.1667 -6.0754 3 1271.6251A16  5951614046358 6 1    6357 7 1      C-13-H3C(O)CH3
  343045.8329  0.0081 -4.4455 3  472.5114776 -59516140448 840 0    48 741 0      C-13-H3C(O)CH3
  343045.8329  0.0081 -4.4455 3  472.5114776 -59516140448 940 0    48 841 0      C-13-H3C(O)CH3
  343076.3496  0.2717 -6.7274 3 1807.3858C56  595161404786118 2    786019 2      C-13-H3C(O)CH3
  343077.6065  0.0263 -5.2293 3  965.7129A16  595161404632341 1    632142 1      C-13-H3C(O)CH3
  343077.6065  0.0263 -5.5516 3  965.7129A16  595161404632341 1    632242 1      C-13-H3C(O)CH3
  343077.6065  0.0263 -5.2293 3  965.7129A16  595161404632241 1    632242 1      C-13-H3C(O)CH3
  343077.6065  0.0263 -5.5516 3  965.7129A16  595161404632241 1    632142 1      C-13-H3C(O)CH3
  343081.1451  0.0300 -5.1069 3  965.7132A16  595161404632241 2    632242 2      C-13-H3C(O)CH3
  343081.1451  0.0300 -6.0514 3  965.7132A16  595161404632241 2    632142 2      C-13-H3C(O)CH3
  343081.1451  0.0300 -5.1069 3  965.7132A16  595161404632341 2    632142 2      C-13-H3C(O)CH3
  343081.1451  0.0300 -6.0514 3  965.7132A16  595161404632341 2    632242 2      C-13-H3C(O)CH3
  343082.2972  0.1908 -6.0752 3 1271.6329A16  5951614046358 5 2    6357 6 2      C-13-H3C(O)CH3
  343082.6606  0.0176 -6.5779 3  215.2457220  5951614042722 6 4    2719 9 4      C-13-H3C(O)CH3
  343084.1778  0.0020 -3.5078 3  182.8814472 -59516140429 722 0    28 821 0      C-13-H3C(O)CH3
  343084.1778  0.0020 -3.5077 3  182.8814472 -59516140429 822 0    28 721 0      C-13-H3C(O)CH3
  343112.9292  0.0261 -6.0286 3  471.5899632  5951614043934 5 2    3835 3 2      C-13-H3C(O)CH3
  343119.5510  0.1754 -6.0753 3 1271.6490A16  5951614046358 5 1    6357 6 1      C-13-H3C(O)CH3
  343125.1542  0.1686 -6.3763 3 1271.6347508  5951614046358 6 3    6357 7 3      C-13-H3C(O)CH3
  343131.6973  0.1175 -6.1603 3  872.0085452  595161404563521 4    563224 4      C-13-H3C(O)CH3
  343132.3008  0.2642 -6.7274 3 1807.4302C56  595161404786117 0    786019 0      C-13-H3C(O)CH3
  343132.3008  0.2642 -6.7274 3 1807.4302C56  595161404786118 0    786018 0      C-13-H3C(O)CH3
  343138.0760  0.0261 -5.9730 3  965.7187508  595161404632341 3    632242 3      C-13-H3C(O)CH3
  343138.0760  0.0261 -5.3763 3  965.7187508  595161404632241 3    632242 3      C-13-H3C(O)CH3
  343138.0760  0.0261 -6.8234 3  965.7187508  595161404632241 3    632142 3      C-13-H3C(O)CH3
  343138.0760  0.0261 -5.4827 3  965.7187508  595161404632341 3    632142 3      C-13-H3C(O)CH3
  343138.2230  0.0262 -5.9679 3  965.7187508  595161404632241 4    632142 4      C-13-H3C(O)CH3
  343138.2230  0.0262 -6.5724 3  965.7187508  595161404632241 4    632242 4      C-13-H3C(O)CH3
  343138.2230  0.0262 -5.3886 3  965.7187508  595161404632341 4    632242 4      C-13-H3C(O)CH3
  343138.2230  0.0262 -5.4844 3  965.7187508  595161404632341 4    632142 4      C-13-H3C(O)CH3
  343147.0502  0.2886 -6.7273 3 1807.3774C56  595161404786118 1    786019 1      C-13-H3C(O)CH3
  343151.8419  0.0298 -6.0280 3  471.5518632  5951614043934 6 1    3835 4 1      C-13-H3C(O)CH3
  343156.2945  0.2921 -6.8492 3 1955.8049D84  595161404864244 2    864145 2      C-13-H3C(O)CH3
  343156.2976  0.2921 -6.8492 3 1955.8049D84  595161404864344 2    864245 2      C-13-H3C(O)CH3
  343160.3828  0.3124 -6.8488 3 1955.8029D84  595161404864244 1    864145 1      C-13-H3C(O)CH3
  343160.3875  0.3124 -6.8488 3 1955.8029D84  595161404864344 1    864245 1      C-13-H3C(O)CH3
  343173.2592  0.2250 -6.1485 3  843.9746444  595161404553520 3    553223 3      C-13-H3C(O)CH3
  343181.8981  0.3153 -6.8489 3 1955.8081D84  595161404864244 0    864145 0      C-13-H3C(O)CH3
  343181.9019  0.3153 -6.8489 3 1955.8081D84  595161404864344 0    864245 0      C-13-H3C(O)CH3
  343184.7748  0.1705 -6.0751 3 1271.6174A16  5951614046358 6 2    6357 7 2      C-13-H3C(O)CH3
  343207.8673  0.1940 -6.3762 3 1271.6584508  5951614046358 5 4    6357 6 4      C-13-H3C(O)CH3
  343212.5623  0.0100 -4.7408 3  443.5004380  59516140447 840 4    47 641 4      C-13-H3C(O)CH3
  343212.5623  0.0100 -4.7408 3  443.5004380  59516140447 740 4    47 741 4      C-13-H3C(O)CH3
  343212.9418  0.0096 -5.1678 3  443.5004380  59516140447 740 3    47 741 3      C-13-H3C(O)CH3
  343212.9418  0.0096 -5.1678 3  443.5004380  59516140447 840 3    47 641 3      C-13-H3C(O)CH3
  343212.9418  0.0096 -4.9443 3  443.5004380  59516140447 840 3    47 741 3      C-13-H3C(O)CH3
  343212.9418  0.0096 -4.9443 3  443.5004380  59516140447 740 3    47 641 3      C-13-H3C(O)CH3
  343223.2168  0.0181 -5.7872 3  449.1170664  595161404412220 1    402317 1      C-13-H3C(O)CH3
  343226.9016  0.1816 -6.3762 3 1271.6192508  5951614046358 6 4    6357 7 4      C-13-H3C(O)CH3
  343231.8523  0.0156 -5.7868 3  449.1393664  595161404412220 0    402317 0      C-13-H3C(O)CH3
  343253.2876  0.0309 -6.3290 3  471.5590316  5951614043934 5 3    3835 3 3      C-13-H3C(O)CH3
  343303.4327  0.0099 -5.0434 3   57.4621248  5951614041511 5 2    14 8 6 2      C-13-H3C(O)CH3
  343307.6009  0.0150 -6.2973 3  215.3169440  5951614042722 5 1    2719 8 1      C-13-H3C(O)CH3
  343310.4744  0.1703 -6.3761 3 1271.6430508  5951614046358 5 3    6357 6 3      C-13-H3C(O)CH3
  343329.3603  0.0314 -6.3297 3  471.5365316  5951614043934 6 3    3835 4 3      C-13-H3C(O)CH3
  343341.5862  0.0081 -6.2904 3  191.7224220  595161404271513 4    271216 4      C-13-H3C(O)CH3
  343342.1441  0.0067 -6.2903 3  191.7224220  595161404271513 3    271216 3      C-13-H3C(O)CH3
  343358.1630  0.0091 -5.7100 3  443.5178760 -59516140447 840 2    47 741 2      C-13-H3C(O)CH3
  343358.1630  0.0091 -5.7100 3  443.5178760 -59516140447 740 2    47 641 2      C-13-H3C(O)CH3
  343358.2183  0.0091 -4.4632 3  443.5178760  59516140447 840 2    47 641 2      C-13-H3C(O)CH3
  343358.2183  0.0091 -4.4632 3  443.5178760  59516140447 740 2    47 741 2      C-13-H3C(O)CH3
  343359.0730  0.0095 -5.5330 3  443.5183760  59516140447 840 1    47 641 1      C-13-H3C(O)CH3
  343359.0730  0.0095 -5.5330 3  443.5183760  59516140447 740 1    47 741 1      C-13-H3C(O)CH3
  343359.1671  0.0095 -4.4758 3  443.5183760 -59516140447 840 1    47 741 1      C-13-H3C(O)CH3
  343359.1671  0.0095 -4.4758 3  443.5183760 -59516140447 740 1    47 641 1      C-13-H3C(O)CH3
  343396.9478  0.0278 -6.0267 3  471.5576632  5951614043934 6 2    3835 4 2      C-13-H3C(O)CH3
  343401.9218  0.0065 -5.9875 3  191.7281440  595161404271513 2    271216 2      C-13-H3C(O)CH3
  343406.3161  0.2727 -6.1614 3  843.9748444  595161404553520 4    553223 4      C-13-H3C(O)CH3
  343412.1680  0.0174 -6.6703 3  215.2655220  5951614042722 6 3    2719 9 3      C-13-H3C(O)CH3
  343415.5553  0.0242 -5.6821 3  287.4068260  595161404322211 4    3123 8 4      C-13-H3C(O)CH3
  343418.9632  0.0158 -5.4251 3  287.4262520  595161404322211 1    3123 8 1      C-13-H3C(O)CH3
  343429.6570  0.0147 -5.1150 3  287.4340520  595161404322211 2    3123 8 2      C-13-H3C(O)CH3
  343440.9652  0.0093 -4.8928 3  287.4535520  595161404322211 0    3123 8 0      C-13-H3C(O)CH3
  343474.5969  0.0065 -5.9877 3  191.7306440  595161404271513 1    271216 1      C-13-H3C(O)CH3
  343495.5214  0.0255 -6.0852 3  449.0812332  595161404412220 4    402317 4      C-13-H3C(O)CH3
  343503.9049  0.0265 -6.0852 3  449.0810332  595161404412220 3    402317 3      C-13-H3C(O)CH3
  343504.1251  0.0083 -4.4398 3  443.5357760  59516140447 740 0    47 741 0      C-13-H3C(O)CH3
  343504.1251  0.0083 -4.4398 3  443.5357760  59516140447 840 0    47 641 0      C-13-H3C(O)CH3
  343511.4141  0.0239 -5.7837 3  449.1033664  595161404412220 2    402317 2      C-13-H3C(O)CH3
  343534.5403  0.0062 -5.9856 3  191.7362440  595161404271513 0    271216 0      C-13-H3C(O)CH3
  343545.5644  0.0110 -5.4976 3  415.1278372  59516140446 640 4    46 641 4      C-13-H3C(O)CH3
  343545.5644  0.0110 -4.8291 3  415.1278372  59516140446 640 4    46 541 4      C-13-H3C(O)CH3
  343545.5644  0.0110 -4.8291 3  415.1278372  59516140446 740 4    46 641 4      C-13-H3C(O)CH3
  343545.5644  0.0110 -5.4976 3  415.1278372  59516140446 740 4    46 541 4      C-13-H3C(O)CH3
  343545.9415  0.0105 -4.8268 3  415.1277372  59516140446 640 3    46 641 3      C-13-H3C(O)CH3
  343545.9415  0.0105 -4.8268 3  415.1277372  59516140446 740 3    46 541 3      C-13-H3C(O)CH3
  343545.9415  0.0105 -5.5084 3  415.1277372  59516140446 640 3    46 541 3      C-13-H3C(O)CH3
  343545.9415  0.0105 -5.5084 3  415.1277372  59516140446 740 3    46 641 3      C-13-H3C(O)CH3
  343584.6472  0.0261 -5.7635 3  287.3999260  595161404322211 3    3123 8 3      C-13-H3C(O)CH3
  343610.7401  0.0362 -6.3278 3  471.5042316  5951614043934 6 4    3835 4 4      C-13-H3C(O)CH3
  343634.6241  0.0178 -5.2884 3  287.4271520  595161404322211 2    3123 9 2      C-13-H3C(O)CH3
  343642.3460  0.0145 -6.2938 3  215.2736440  5951614042722 6 1    2719 9 1      C-13-H3C(O)CH3
  343729.8335  0.0153 -6.3264 3  215.2857440  5951614042722 6 2    2719 9 2      C-13-H3C(O)CH3
  343731.3847  0.0148 -6.3305 3  215.3165440  5951614042722 5 2    2719 8 2      C-13-H3C(O)CH3
  343748.2191  0.0090 -4.4430 3  415.1374744  59516140446 740 2    46 541 2      C-13-H3C(O)CH3
  343748.2191  0.0090 -4.4430 3  415.1374744  59516140446 640 2    46 641 2      C-13-H3C(O)CH3
  343748.9912  0.0096 -4.4530 3  415.1378744  59516140446 740 1    46 541 1      C-13-H3C(O)CH3
  343748.9912  0.0096 -4.4530 3  415.1378744  59516140446 640 1    46 641 1      C-13-H3C(O)CH3
  343749.1987  0.0096 -6.0885 3  415.1378744 -59516140446 740 1    46 641 1      C-13-H3C(O)CH3
  343749.1987  0.0096 -6.0885 3  415.1378744 -59516140446 640 1    46 541 1      C-13-H3C(O)CH3
  343762.9116  0.0133 -5.6600 3  384.7148600  595161404372513 1    372216 1      C-13-H3C(O)CH3
  343774.1736  0.0662 -6.0538 3 1319.4996580  595161404723042 3    723043 3      C-13-H3C(O)CH3
  343774.1736  0.0662 -6.0553 3 1319.4996580  595161404723142 3    722943 3      C-13-H3C(O)CH3
  343774.1736  0.0662 -6.7142 3 1319.4996580  595161404723042 3    722943 3      C-13-H3C(O)CH3
  343774.1736  0.0662 -6.7075 3 1319.4996580  595161404723142 3    723043 3      C-13-H3C(O)CH3
  343774.1837  0.0662 -5.9699 3 1319.4996580  595161404723042 4    723043 4      C-13-H3C(O)CH3
  343774.1837  0.0662 -5.9710 3 1319.4996580  595161404723142 4    722943 4      C-13-H3C(O)CH3
  343784.7478  0.0639 -5.6669 3 1319.4788B60  595161404723042 1    722943 1      C-13-H3C(O)CH3
  343784.7478  0.0639 -5.6671 3 1319.4788B60  595161404723142 1    723043 1      C-13-H3C(O)CH3
  343788.9631  0.0664 -6.8763 3 1319.4809B60  595161404723042 2    722943 2      C-13-H3C(O)CH3
  343788.9631  0.0664 -5.6946 3 1319.4809B60  595161404723042 2    723043 2      C-13-H3C(O)CH3
  343788.9631  0.0664 -5.6872 3 1319.4809B60  595161404723142 2    722943 2      C-13-H3C(O)CH3
  343790.2875  0.0132 -5.6541 3  384.7361600  595161404372513 0    372216 0      C-13-H3C(O)CH3
  343799.5633  0.0646 -5.6710 3 1319.4601B60  595161404723042 0    722943 0      C-13-H3C(O)CH3
  343799.5633  0.0646 -5.6739 3 1319.4601B60  595161404723142 0    723043 0      C-13-H3C(O)CH3
  343815.7374  0.0210 -4.9990 3  927.9846A00  595161404622141 0    622142 0      C-13-H3C(O)CH3
  343815.7374  0.0210 -4.9990 3  927.9846A00  595161404622241 0    622042 0      C-13-H3C(O)CH3
  343852.6034  0.0129 -4.7622 3  387.3476364  59516140445 540 4    45 541 4      C-13-H3C(O)CH3
  343852.6034  0.0129 -4.7622 3  387.3476364  59516140445 640 4    45 441 4      C-13-H3C(O)CH3
  343852.9267  0.0122 -5.2064 3  387.3475364  59516140445 640 3    45 541 3      C-13-H3C(O)CH3
  343852.9267  0.0122 -5.2064 3  387.3475364  59516140445 540 3    45 441 3      C-13-H3C(O)CH3
  343852.9267  0.0122 -4.9555 3  387.3475364  59516140445 540 3    45 541 3      C-13-H3C(O)CH3
  343852.9267  0.0122 -4.9555 3  387.3475364  59516140445 640 3    45 441 3      C-13-H3C(O)CH3
  343854.3770  0.0158 -6.2708 3  215.3281440  5951614042722 5 0    2719 8 0      C-13-H3C(O)CH3
  343878.3580  0.0134 -5.3283 3  287.3901260  595161404322211 3    3123 9 3      C-13-H3C(O)CH3
  343880.8693  0.0246 -5.0653 3  927.9865A00  595161404622141 1    622142 1      C-13-H3C(O)CH3
  343880.8693  0.0246 -5.8447 3  927.9865A00  595161404622141 1    622042 1      C-13-H3C(O)CH3
  343880.8693  0.0246 -5.8447 3  927.9865A00  595161404622241 1    622142 1      C-13-H3C(O)CH3
  343880.8693  0.0246 -5.0653 3  927.9865A00  595161404622241 1    622042 1      C-13-H3C(O)CH3
  343883.9738  0.0276 -5.2167 3  927.9867A00  595161404622141 2    622142 2      C-13-H3C(O)CH3
  343883.9738  0.0276 -5.4022 3  927.9867A00  595161404622141 2    622042 2      C-13-H3C(O)CH3
  343883.9738  0.0276 -5.4022 3  927.9867A00  595161404622241 2    622142 2      C-13-H3C(O)CH3
  343883.9738  0.0276 -5.2167 3  927.9867A00  595161404622241 2    622042 2      C-13-H3C(O)CH3
  343916.6088  0.0106 -5.0428 3  287.4096520  595161404322211 1    3123 9 1      C-13-H3C(O)CH3
  343925.5213  0.0186 -6.0220 3  384.6878300  595161404372513 4    372216 4      C-13-H3C(O)CH3
  343949.2046  0.0237 -5.3086 3  927.9887500  595161404622141 3    622042 3      C-13-H3C(O)CH3
  343949.2046  0.0237 -5.3086 3  927.9887500  595161404622241 3    622142 3      C-13-H3C(O)CH3
  343949.3609  0.0238 -5.3104 3  927.9887500  595161404622241 4    622042 4      C-13-H3C(O)CH3
  343949.3609  0.0238 -5.3104 3  927.9887500  595161404622141 4    622142 4      C-13-H3C(O)CH3
  343950.9330  0.0085 -5.3125 3  415.1474744  59516140446 740 0    46 541 0      C-13-H3C(O)CH3
  343950.9330  0.0085 -5.3125 3  415.1474744  59516140446 640 0    46 641 0      C-13-H3C(O)CH3
  343950.9759  0.0085 -4.5053 3  415.1474744 -59516140446 740 0    46 641 0      C-13-H3C(O)CH3
  343950.9759  0.0085 -4.5053 3  415.1474744 -59516140446 640 0    46 541 0      C-13-H3C(O)CH3
  343970.2124  0.0216 -5.7716 3  440.1120616  5951614043832 6 1    3733 4 1      C-13-H3C(O)CH3
  343998.5872  0.0021 -3.7877 3  187.9977244 -59516140430 624 4    29 723 4      C-13-H3C(O)CH3
  343998.5872  0.0020 -3.7744 3  187.9977244 -59516140430 624 3    29 723 3      C-13-H3C(O)CH3
  343998.5872  0.0021 -4.8141 3  187.9977244 -59516140430 724 4    29 723 4      C-13-H3C(O)CH3
  343998.5872  0.0020 -6.0051 3  187.9977244 -59516140430 724 3    29 723 3      C-13-H3C(O)CH3
  343998.6147  0.0021 -5.2186 3  187.9977244  59516140430 624 4    29 623 4      C-13-H3C(O)CH3
  343998.6147  0.0021 -3.8132 3  187.9977244  59516140430 724 4    29 623 4      C-13-H3C(O)CH3
  343998.6370  0.0020 -3.7744 3  187.9977244  59516140430 724 3    29 623 3      C-13-H3C(O)CH3
  343998.6370  0.0020 -6.0051 3  187.9977244  59516140430 624 3    29 623 3      C-13-H3C(O)CH3
  344005.4884  0.0222 -5.7706 3  440.1244616  5951614043832 7 0    3733 4 0      C-13-H3C(O)CH3
  344005.4884  0.0222 -5.7706 3  440.1244616  5951614043832 6 0    3733 5 0      C-13-H3C(O)CH3
  344019.5921  0.2112 -6.0887 3 1242.1239A00  5951614046258 5 0    6257 6 0      C-13-H3C(O)CH3
  344019.5921  0.2112 -6.0887 3 1242.1239A00  5951614046258 4 0    6257 5 0      C-13-H3C(O)CH3
  344023.4140  0.0163 -5.7003 3  384.7092600  595161404372513 2    372216 2      C-13-H3C(O)CH3
  344040.9179  0.2012 -6.7342 3 1616.3950588  595161404736013 4    735914 4      C-13-H3C(O)CH3
  344041.1147  0.1757 -6.0888 3 1242.1316A00  5951614046258 5 1    6257 6 1      C-13-H3C(O)CH3
  344053.1658  0.0024 -5.2073 3  187.9902488 -59516140430 724 1    29 723 1      C-13-H3C(O)CH3
  344053.1658  0.0024 -5.2073 3  187.9902488 -59516140430 624 1    29 623 1      C-13-H3C(O)CH3
  344053.2403  0.0024 -3.4788 3  187.9902488  59516140430 624 1    29 723 1      C-13-H3C(O)CH3
  344053.2403  0.0024 -3.4788 3  187.9902488  59516140430 724 1    29 623 1      C-13-H3C(O)CH3
  344054.0234  0.0024 -4.6285 3  187.9893488  59516140430 624 2    29 723 2      C-13-H3C(O)CH3
  344054.0234  0.0024 -4.6285 3  187.9893488  59516140430 724 2    29 623 2      C-13-H3C(O)CH3
  344054.0273  0.0024 -3.5021 3  187.9893488 -59516140430 624 2    29 623 2      C-13-H3C(O)CH3
  344054.0273  0.0024 -3.5021 3  187.9893488 -59516140430 724 2    29 723 2      C-13-H3C(O)CH3
  344075.2091  0.0198 -5.9794 3  384.6879300  595161404372513 3    372216 3      C-13-H3C(O)CH3
  344103.3817  0.0314 -6.6390 3  795.3125888  595161404552629 0    542926 0      C-13-H3C(O)CH3
  344108.4555  0.0021 -3.8926 3  187.9818488 -59516140430 624 0    29 723 0      C-13-H3C(O)CH3
  344108.4555  0.0021 -3.8926 3  187.9818488 -59516140430 724 0    29 623 0      C-13-H3C(O)CH3
  344108.5032  0.0021 -3.6773 3  187.9818488  59516140430 624 0    29 623 0      C-13-H3C(O)CH3
  344108.5032  0.0021 -3.6773 3  187.9818488  59516140430 724 0    29 723 0      C-13-H3C(O)CH3
  344114.6171  0.1906 -6.2029 3 1437.8380A96  5951614046859 9 2    685810 2      C-13-H3C(O)CH3
  344119.4175  0.0161 -5.3623 3  287.3833260  595161404322211 4    3123 9 4      C-13-H3C(O)CH3
  344120.2495  0.0100 -4.6939 3  387.3471728  59516140445 540 2    45 441 2      C-13-H3C(O)CH3
  344120.2495  0.0100 -4.8406 3  387.3471728  59516140445 540 2    45 541 2      C-13-H3C(O)CH3
  344120.2495  0.0100 -4.8406 3  387.3471728  59516140445 640 2    45 441 2      C-13-H3C(O)CH3
  344120.2495  0.0100 -4.6939 3  387.3471728  59516140445 640 2    45 541 2      C-13-H3C(O)CH3
  344120.9304  0.0110 -4.5115 3  387.3475728  59516140445 540 1    45 541 1      C-13-H3C(O)CH3
  344120.9304  0.0110 -4.5115 3  387.3475728  59516140445 640 1    45 441 1      C-13-H3C(O)CH3
  344121.0446  0.0110 -5.4127 3  387.3475728 -59516140445 640 1    45 541 1      C-13-H3C(O)CH3
  344121.0446  0.0110 -5.4127 3  387.3475728 -59516140445 540 1    45 441 1      C-13-H3C(O)CH3
  344125.1304  0.1630 -6.5040 3 1437.8401548  5951614046859 9 4    685810 4      C-13-H3C(O)CH3
  344134.3769  0.0157 -5.1083 3  360.1609356  59516140444 440 4    44 341 4      C-13-H3C(O)CH3
  344134.3769  0.0157 -5.1083 3  360.1609356  59516140444 540 4    44 441 4      C-13-H3C(O)CH3
  344134.3769  0.0157 -5.0902 3  360.1609356  59516140444 540 4    44 341 4      C-13-H3C(O)CH3
  344134.3769  0.0157 -5.0902 3  360.1609356  59516140444 440 4    44 441 4      C-13-H3C(O)CH3
  344134.5748  0.0149 -5.1236 3  360.1608356  59516140444 540 3    44 341 3      C-13-H3C(O)CH3
  344134.5748  0.0149 -5.0761 3  360.1608356  59516140444 540 3    44 441 3      C-13-H3C(O)CH3
  344134.5748  0.0149 -5.1236 3  360.1608356  59516140444 440 3    44 441 3      C-13-H3C(O)CH3
  344134.5748  0.0149 -5.0761 3  360.1608356  59516140444 440 3    44 341 3      C-13-H3C(O)CH3
  344136.1018  0.0348 -6.6380 3  795.3121888  595161404552629 1    542926 1      C-13-H3C(O)CH3
  344148.5085  0.2309 -6.4330 3 1616.4081B76  595161404736013 2    735914 2      C-13-H3C(O)CH3
  344149.0358  0.0401 -6.6371 3  795.3117888  595161404552629 2    542926 2      C-13-H3C(O)CH3
  344159.2455  0.0314 -6.6388 3  795.3106888  595161404552729 0    542826 0      C-13-H3C(O)CH3
  344166.4863  0.2038 -6.0885 3 1242.1377A00  5951614046258 4 2    6257 5 2      C-13-H3C(O)CH3
  344168.6695  0.1856 -6.0886 3 1242.1560A00  5951614046258 4 1    6257 5 1      C-13-H3C(O)CH3
  344188.8412  0.1818 -6.3896 3 1242.1454500  5951614046258 5 3    6257 6 3      C-13-H3C(O)CH3
  344194.6155  0.1598 -6.5038 3 1437.8140548  5951614046859 9 3    685810 3      C-13-H3C(O)CH3
  344195.7273  0.0347 -6.6378 3  795.3102888  595161404552729 1    542826 1      C-13-H3C(O)CH3
  344199.4623  0.2383 -6.2027 3 1437.8402A96  595161404685910 0    685811 0      C-13-H3C(O)CH3
  344199.4623  0.2383 -6.2027 3 1437.8402A96  5951614046859 9 0    685810 0      C-13-H3C(O)CH3
  344200.7306  0.2193 -6.7339 3 1616.3580588  595161404736014 3    735915 3      C-13-H3C(O)CH3
  344208.7347  0.0408 -6.6370 3  795.3097888  595161404552729 2    542826 2      C-13-H3C(O)CH3
  344210.3730  0.1820 -6.2028 3 1437.8424A96  5951614046859 9 1    685810 1      C-13-H3C(O)CH3
  344210.7237  0.2119 -6.4329 3 1616.4027B76  595161404736013 1    735914 1      C-13-H3C(O)CH3
  344216.6080  0.2255 -6.7339 3 1616.3647588  595161404736013 3    735914 3      C-13-H3C(O)CH3
  344216.9009  0.0077 -4.9507 3   57.4204248  5951614041511 5 0    14 8 6 0      C-13-H3C(O)CH3
  344234.3132  0.1782 -6.0885 3 1242.1268A00  5951614046258 5 2    6257 6 2      C-13-H3C(O)CH3
  344245.1007  0.0213 -5.2844 3   98.0131156  5951614041914 6 4    1813 5 4      C-13-H3C(O)CH3
  344248.7766  0.0246 -6.0727 3  440.0917308  5951614043832 6 4    3733 4 4      C-13-H3C(O)CH3
  344255.9345  0.1912 -6.3896 3 1242.1344500  5951614046258 5 4    6257 6 4      C-13-H3C(O)CH3
  344263.0386  0.0170 -5.2860 3  287.4340520  595161404322210 2    3123 8 2      C-13-H3C(O)CH3
  344279.1014  0.1794 -6.2026 3 1437.8163A96  595161404685910 1    685811 1      C-13-H3C(O)CH3
  344280.7868  0.0245 -5.7704 3  440.0690616  5951614043832 7 1    3733 5 1      C-13-H3C(O)CH3
  344281.6169  0.1918 -6.2026 3 1437.8071A96  595161404685910 2    685811 2      C-13-H3C(O)CH3
  344283.7365  0.0218 -5.7707 3  440.1041616  5951614043832 6 2    3733 4 2      C-13-H3C(O)CH3
  344288.8458  0.0096 -4.8903 3  287.4529520  595161404322210 0    3123 9 0      C-13-H3C(O)CH3
  344292.4305  0.1729 -6.5037 3 1437.8093548  595161404685910 3    685811 3      C-13-H3C(O)CH3
  344308.2074  0.2314 -6.4327 3 1616.3710B76  595161404736014 2    735915 2      C-13-H3C(O)CH3
  344316.5554  0.2112 -6.3894 3 1242.1696500  5951614046258 4 4    6257 5 4      C-13-H3C(O)CH3
  344317.9256  0.2627 -6.4327 3 1616.4158B76  595161404736014 0    735914 0      C-13-H3C(O)CH3
  344317.9256  0.2627 -6.4327 3 1616.4158B76  595161404736013 0    735915 0      C-13-H3C(O)CH3
  344323.3100  0.0160 -5.3605 3  287.4068260  595161404322210 4    3123 8 4      C-13-H3C(O)CH3
  344360.2324  0.0110 -5.0407 3  287.4262520  595161404322210 1    3123 8 1      C-13-H3C(O)CH3
  344361.0845  0.1916 -6.5035 3 1437.7831548  595161404685910 4    685811 4      C-13-H3C(O)CH3
  344376.0361  0.2531 -6.7336 3 1616.3278588  595161404736014 4    735915 4      C-13-H3C(O)CH3
  344384.3082  0.1807 -6.3894 3 1242.1587500  5951614046258 4 3    6257 5 3      C-13-H3C(O)CH3
  344384.9226  0.0252 -6.0712 3  440.0699308  5951614043832 6 3    3733 4 3      C-13-H3C(O)CH3
  344386.0284  0.2204 -6.4326 3 1616.3725B76  595161404736014 1    735915 1      C-13-H3C(O)CH3
  344387.7753  0.0095 -4.4593 3  387.3471728  59516140445 640 0    45 441 0      C-13-H3C(O)CH3
  344387.7753  0.0095 -4.4593 3  387.3471728  59516140445 540 0    45 541 0      C-13-H3C(O)CH3
  344391.5637  0.0186 -4.8635 3  333.5685348  59516140443 340 3    43 241 3      C-13-H3C(O)CH3
  344391.5637  0.0186 -4.8680 3  333.5685348  59516140443 440 3    43 341 3      C-13-H3C(O)CH3
  344391.5637  0.0186 -6.8493 3  333.5685348  59516140443 340 3    43 341 3      C-13-H3C(O)CH3
  344391.5878  0.0195 -5.1399 3  333.5685348  59516140443 440 4    43 341 4      C-13-H3C(O)CH3
  344391.5878  0.0195 -5.1906 3  333.5685348  59516140443 440 4    43 241 4      C-13-H3C(O)CH3
  344391.5878  0.0195 -5.1399 3  333.5685348  59516140443 340 4    43 241 4      C-13-H3C(O)CH3
  344391.5878  0.0195 -5.1906 3  333.5685348  59516140443 340 4    43 341 4      C-13-H3C(O)CH3
  344421.2886  0.0228 -5.7692 3  440.0823616  5951614043832 7 2    3733 5 2      C-13-H3C(O)CH3
  344459.2203  0.0156 -6.2696 3  215.3079440  5951614042722 6 0    2719 9 0      C-13-H3C(O)CH3
  344464.9977  0.0126 -5.1093 3  332.3883552  595161404342510 0    3326 7 0      C-13-H3C(O)CH3
  344468.0057  0.0156 -5.1123 3  287.4271520  595161404322210 2    3123 9 2      C-13-H3C(O)CH3
  344475.3286  0.0134 -6.0690 3  360.1478712  59516140444 540 2    44 341 2      C-13-H3C(O)CH3
  344475.3286  0.0134 -6.0690 3  360.1478712  59516140444 440 2    44 441 2      C-13-H3C(O)CH3
  344475.3367  0.0134 -4.5077 3  360.1478712 -59516140444 540 2    44 441 2      C-13-H3C(O)CH3
  344475.3367  0.0134 -4.5077 3  360.1478712 -59516140444 440 2    44 341 2      C-13-H3C(O)CH3
  344475.9305  0.0148 -4.8852 3  360.1482712  59516140444 440 1    44 441 1      C-13-H3C(O)CH3
  344475.9305  0.0148 -4.8852 3  360.1482712  59516140444 540 1    44 341 1      C-13-H3C(O)CH3
  344475.9318  0.0148 -4.7240 3  360.1482712 -59516140444 440 1    44 341 1      C-13-H3C(O)CH3
  344475.9318  0.0148 -4.7240 3  360.1482712 -59516140444 540 1    44 441 1      C-13-H3C(O)CH3
  344479.9931  0.0126 -5.1093 3  332.3883552  5951614043425 9 0    3326 8 0      C-13-H3C(O)CH3
  344495.3520  0.1390 -6.5227 3 1623.9067636  595161404793643 4    793544 4      C-13-H3C(O)CH3
  344495.3520  0.1390 -6.5227 3 1623.9067636  595161404793743 4    793644 4      C-13-H3C(O)CH3
  344495.4154  0.1390 -6.5227 3 1623.9067636  595161404793643 3    793544 3      C-13-H3C(O)CH3
  344495.4154  0.1390 -6.5227 3 1623.9067636  595161404793743 3    793644 3      C-13-H3C(O)CH3
  344530.8574  0.1593 -6.2216 3 1623.8942C72  595161404793643 1    793544 1      C-13-H3C(O)CH3
  344530.8574  0.1593 -6.2216 3 1623.8942C72  595161404793743 1    793644 1      C-13-H3C(O)CH3
  344530.9519  0.1485 -6.2224 3 1623.8973C72  595161404793643 2    793544 2      C-13-H3C(O)CH3
  344530.9519  0.1485 -6.2224 3 1623.8973C72  595161404793743 2    793644 2      C-13-H3C(O)CH3
  344551.5570  0.0124 -5.1084 3  332.3631552  595161404342510 2    3326 7 2      C-13-H3C(O)CH3
  344557.5317  0.0256 -6.0715 3  440.0488308  5951614043832 7 3    3733 5 3      C-13-H3C(O)CH3
  344566.3522  0.1615 -6.2216 3 1623.8849C72  595161404793743 0    793644 0      C-13-H3C(O)CH3
  344566.3522  0.1615 -6.2216 3 1623.8849C72  595161404793643 0    793544 0      C-13-H3C(O)CH3
  344568.7984  0.0137 -5.3260 3  287.3999260  595161404322210 3    3123 8 3      C-13-H3C(O)CH3
  344573.3684  0.0195 -4.9414 3  890.8378984  595161404612041 0    612042 0      C-13-H3C(O)CH3
  344573.3684  0.0195 -4.9414 3  890.8378984  595161404612141 0    611942 0      C-13-H3C(O)CH3
  344624.5788  0.0236 -5.7867 3  307.5715340  59516140442 240 3    42 141 3      C-13-H3C(O)CH3
  344624.5788  0.0236 -5.0549 3  307.5715340  59516140442 240 3    42 241 3      C-13-H3C(O)CH3
  344624.5788  0.0236 -5.7867 3  307.5715340  59516140442 340 3    42 241 3      C-13-H3C(O)CH3
  344624.5788  0.0236 -5.0549 3  307.5715340  59516140442 340 3    42 141 3      C-13-H3C(O)CH3
  344624.9508  0.0245 -5.7902 3  307.5715340  59516140442 240 4    42 141 4      C-13-H3C(O)CH3
  344624.9508  0.0245 -5.0543 3  307.5715340  59516140442 240 4    42 241 4      C-13-H3C(O)CH3
  344624.9508  0.0245 -5.7902 3  307.5715340  59516140442 340 4    42 241 4      C-13-H3C(O)CH3
  344624.9508  0.0245 -5.0543 3  307.5715340  59516140442 340 4    42 141 4      C-13-H3C(O)CH3
  344645.7413  0.0229 -6.8095 3  890.8359984  595161404612041 1    611942 1      C-13-H3C(O)CH3
  344645.7413  0.0229 -4.9450 3  890.8359984  595161404612041 1    612042 1      C-13-H3C(O)CH3
  344645.7413  0.0229 -6.8095 3  890.8359984  595161404612141 1    612042 1      C-13-H3C(O)CH3
  344645.7413  0.0229 -4.9450 3  890.8359984  595161404612141 1    611942 1      C-13-H3C(O)CH3
  344648.3787  0.0252 -4.9620 3  890.8359984  595161404612141 2    611942 2      C-13-H3C(O)CH3
  344648.3787  0.0252 -6.2295 3  890.8359984  595161404612041 2    611942 2      C-13-H3C(O)CH3
  344648.3787  0.0252 -6.2295 3  890.8359984  595161404612141 2    612042 2      C-13-H3C(O)CH3
  344648.3787  0.0252 -4.9620 3  890.8359984  595161404612041 2    612042 2      C-13-H3C(O)CH3
  344693.1514  0.0288 -6.0700 3  440.0268308  5951614043832 7 4    3733 5 4      C-13-H3C(O)CH3
  344699.2369  0.0248 -6.7207 3  332.3475552  595161404342510 1    3326 7 1      C-13-H3C(O)CH3
  344706.3216  0.0128 -5.1200 3  332.3473552  595161404342510 1    3326 8 1      C-13-H3C(O)CH3
  344720.8557  0.0217 -5.3928 3  890.8340492  595161404612041 3    611942 3      C-13-H3C(O)CH3
  344720.8557  0.0217 -5.7675 3  890.8340492  595161404612041 3    612042 3      C-13-H3C(O)CH3
  344720.8557  0.0217 -5.7675 3  890.8340492  595161404612141 3    611942 3      C-13-H3C(O)CH3
  344720.8557  0.0217 -5.3928 3  890.8340492  595161404612141 3    612042 3      C-13-H3C(O)CH3
  344721.0170  0.0218 -6.8666 3  890.8340492  595161404612141 4    612042 4      C-13-H3C(O)CH3
  344721.0170  0.0218 -5.2503 3  890.8340492  595161404612141 4    611942 4      C-13-H3C(O)CH3
  344721.0170  0.0218 -5.2503 3  890.8340492  595161404612041 4    612042 4      C-13-H3C(O)CH3
  344721.0170  0.0218 -6.8666 3  890.8340492  595161404612041 4    611942 4      C-13-H3C(O)CH3
  344752.0249  0.0125 -5.1192 3  332.3475552  5951614043425 9 1    3326 7 1      C-13-H3C(O)CH3
  344759.1097  0.0263 -6.7211 3  332.3473552  5951614043425 9 1    3326 8 1      C-13-H3C(O)CH3
  344784.3098  0.0136 -5.4121 3  332.3220276  595161404342510 3    3326 8 3      C-13-H3C(O)CH3
  344788.7206  0.0127 -5.1084 3  332.3630552  5951614043425 9 2    3326 8 2      C-13-H3C(O)CH3
  344796.4534  0.0158 -6.0682 3  563.1716744  595161404462423 0    452520 0      C-13-H3C(O)CH3
  344814.4242  0.0195 -4.7905 3  333.5402696  59516140443 440 2    43 341 2      C-13-H3C(O)CH3
  344814.4242  0.0195 -4.7905 3  333.5402696  59516140443 340 2    43 241 2      C-13-H3C(O)CH3
  344814.4242  0.0195 -4.9477 3  333.5402696  59516140443 340 2    43 341 2      C-13-H3C(O)CH3
  344814.4242  0.0195 -4.9477 3  333.5402696  59516140443 440 2    43 241 2      C-13-H3C(O)CH3
  344814.9822  0.0212 -4.5896 3  333.5406696  59516140443 440 1    43 341 1      C-13-H3C(O)CH3
  344814.9822  0.0212 -5.7579 3  333.5406696  59516140443 440 1    43 241 1      C-13-H3C(O)CH3
  344814.9822  0.0212 -5.7579 3  333.5406696  59516140443 340 1    43 341 1      C-13-H3C(O)CH3
  344814.9822  0.0212 -4.5896 3  333.5406696  59516140443 340 1    43 241 1      C-13-H3C(O)CH3
  344816.0260  0.0124 -4.6221 3  360.1352712  59516140444 540 0    44 341 0      C-13-H3C(O)CH3
  344816.0260  0.0124 -4.6221 3  360.1352712  59516140444 440 0    44 441 0      C-13-H3C(O)CH3
  344816.0260  0.0124 -5.0904 3  360.1352712  59516140444 540 0    44 441 0      C-13-H3C(O)CH3
  344816.0260  0.0124 -5.0904 3  360.1352712  59516140444 440 0    44 341 0      C-13-H3C(O)CH3
  344830.4220  0.0150 -5.4088 3  332.3221276  595161404342510 4    3326 7 4      C-13-H3C(O)CH3
  344834.3191  0.0301 -5.3727 3  282.1707332  59516140441 140 3    41 141 3      C-13-H3C(O)CH3
  344834.3191  0.0301 -5.7639 3  282.1707332  59516140441 240 3    41 141 3      C-13-H3C(O)CH3
  344834.3191  0.0301 -5.3727 3  282.1707332  59516140441 240 3    41 041 3      C-13-H3C(O)CH3
  344834.3191  0.0301 -5.7639 3  282.1707332  59516140441 140 3    41 041 3      C-13-H3C(O)CH3
  344835.1989  0.0309 -5.9831 3  282.1707332  59516140441 140 4    41 041 4      C-13-H3C(O)CH3
  344835.1989  0.0309 -5.9831 3  282.1707332  59516140441 240 4    41 141 4      C-13-H3C(O)CH3
  344835.1989  0.0309 -5.3079 3  282.1707332  59516140441 140 4    41 141 4      C-13-H3C(O)CH3
  344835.1989  0.0309 -5.3079 3  282.1707332  59516140441 240 4    41 041 4      C-13-H3C(O)CH3
  344857.8779  0.0162 -5.4215 3  287.4096520  595161404322210 1    3123 9 1      C-13-H3C(O)CH3
  344858.6191  0.0167 -6.0679 3  563.1530744  595161404462423 1    452520 1      C-13-H3C(O)CH3
  344862.5092  0.0256 -5.7599 3  287.3901260  595161404322210 3    3123 9 3      C-13-H3C(O)CH3
  344875.0196  0.0219 -6.5199 3  261.0023244  5951614043023 8 4    302011 4      C-13-H3C(O)CH3
  344910.8057  0.2626 -6.6701 3 1770.4778C40  595161404776116 1    776017 1      C-13-H3C(O)CH3
  344916.1199  0.3062 -6.6701 3 1770.4857C40  595161404776116 2    776017 2      C-13-H3C(O)CH3
  344937.4509  0.0590 -6.4814 3 1276.6120572  595161404713042 3    712843 3      C-13-H3C(O)CH3
  344937.4509  0.0590 -6.7015 3 1276.6120572  595161404712942 3    712943 3      C-13-H3C(O)CH3
  344937.4509  0.0590 -6.0184 3 1276.6120572  595161404713042 3    712943 3      C-13-H3C(O)CH3
  344937.4509  0.0590 -5.9627 3 1276.6120572  595161404712942 3    712843 3      C-13-H3C(O)CH3
  344937.4773  0.0590 -5.9494 3 1276.6120572  595161404713042 4    712843 4      C-13-H3C(O)CH3
  344937.4773  0.0590 -6.7828 3 1276.6120572  595161404713042 4    712943 4      C-13-H3C(O)CH3
  344937.4773  0.0590 -5.9157 3 1276.6120572  595161404712942 4    712943 4      C-13-H3C(O)CH3
  344940.9195  0.0552 -5.9166 3 1276.5912B44  595161404713042 1    712843 1      C-13-H3C(O)CH3
  344940.9195  0.0552 -5.6660 3 1276.5912B44  595161404712942 1    712943 1      C-13-H3C(O)CH3
  344940.9195  0.0552 -6.3774 3 1276.5912B44  595161404712942 1    712843 1      C-13-H3C(O)CH3
  344940.9195  0.0552 -5.8647 3 1276.5912B44  595161404713042 1    712943 1      C-13-H3C(O)CH3
  344945.4301  0.0591 -5.7658 3 1276.5931B44  595161404713042 2    712943 2      C-13-H3C(O)CH3
  344945.4301  0.0591 -5.9786 3 1276.5931B44  595161404712942 2    712943 2      C-13-H3C(O)CH3
  344945.4301  0.0591 -5.8162 3 1276.5931B44  595161404712942 2    712843 2      C-13-H3C(O)CH3
  344945.4301  0.0591 -6.0642 3 1276.5931B44  595161404713042 2    712843 2      C-13-H3C(O)CH3
  344948.9343  0.0553 -5.8661 3 1276.5724B44  595161404713042 0    712843 0      C-13-H3C(O)CH3
  344948.9343  0.0553 -5.9149 3 1276.5724B44  595161404713042 0    712943 0      C-13-H3C(O)CH3
  344948.9343  0.0553 -5.5970 3 1276.5724B44  595161404712942 0    712943 0      C-13-H3C(O)CH3
  344980.4357  0.0264 -6.0658 3  563.1465744  595161404462423 2    452520 2      C-13-H3C(O)CH3
  344984.3982  0.1875 -6.1210 3 1213.1330984  5951614046158 4 1    6157 5 1      C-13-H3C(O)CH3
  344988.2357  0.2211 -6.1208 3 1213.1197984  5951614046158 4 0    6157 5 0      C-13-H3C(O)CH3
  344988.2357  0.2211 -6.1208 3 1213.1197984  5951614046158 3 0    6157 4 0      C-13-H3C(O)CH3
  345019.1239  0.0144 -5.4097 3  332.3219276  5951614043425 9 4    3326 8 4      C-13-H3C(O)CH3
  345027.1721  0.0265 -5.6784 3  287.3833260  595161404322210 4    3123 9 4      C-13-H3C(O)CH3
  345041.1368  0.0278 -6.3665 3  563.1279372  595161404462423 4    452520 4      C-13-H3C(O)CH3
  345044.5152  0.0276 -6.3665 3  563.1278372  595161404462423 3    452520 3      C-13-H3C(O)CH3
  345047.0352  0.2703 -6.6698 3 1770.4524C40  595161404776117 2    776018 2      C-13-H3C(O)CH3
  345057.9428  0.0021 -3.7454 3  192.5556252 -59516140431 626 4    30 525 4      C-13-H3C(O)CH3
  345057.9428  0.0021 -5.1656 3  192.5555252 -59516140431 526 3    30 525 3      C-13-H3C(O)CH3
  345057.9428  0.0021 -3.7454 3  192.5556252 -59516140431 526 4    30 625 4      C-13-H3C(O)CH3
  345057.9428  0.0021 -3.7546 3  192.5555252 -59516140431 626 3    30 525 3      C-13-H3C(O)CH3
  345057.9513  0.0021 -5.5101 3  192.5556252  59516140431 626 4    30 625 4      C-13-H3C(O)CH3
  345057.9513  0.0021 -5.5101 3  192.5556252  59516140431 526 4    30 525 4      C-13-H3C(O)CH3
  345057.9605  0.0021 -5.1656 3  192.5555252  59516140431 626 3    30 625 3      C-13-H3C(O)CH3
  345057.9605  0.0021 -3.7546 3  192.5555252  59516140431 526 3    30 625 3      C-13-H3C(O)CH3
  345064.7929  0.0130 -5.4113 3  332.3220276  5951614043425 9 3    3326 7 3      C-13-H3C(O)CH3
  345091.2437  0.2744 -6.6698 3 1770.4980C40  595161404776116 0    776017 0      C-13-H3C(O)CH3
  345091.2437  0.2744 -6.6698 3 1770.4980C40  595161404776117 0    776018 0      C-13-H3C(O)CH3
  345097.0812  0.2650 -6.7494 3 1905.0530D68  595161404854144 2    854045 2      C-13-H3C(O)CH3
  345097.0823  0.2650 -6.7494 3 1905.0530D68  595161404854244 2    854145 2      C-13-H3C(O)CH3
  345101.0450  0.2854 -6.7490 3 1905.0507D68  595161404854144 1    854045 1      C-13-H3C(O)CH3
  345101.0467  0.2854 -6.7490 3 1905.0507D68  595161404854244 1    854145 1      C-13-H3C(O)CH3
  345108.1462  0.0025 -4.2979 3  192.5431504 -59516140431 626 1    30 525 1      C-13-H3C(O)CH3
  345108.1462  0.0025 -3.5012 3  192.5431504 -59516140431 526 1    30 525 1      C-13-H3C(O)CH3
  345108.2163  0.0025 -3.5012 3  192.5431504  59516140431 626 1    30 625 1      C-13-H3C(O)CH3
  345108.2163  0.0025 -4.2979 3  192.5431504  59516140431 526 1    30 625 1      C-13-H3C(O)CH3
  345108.7101  0.0025 -3.4408 3  192.5424504 -59516140431 526 2    30 525 2      C-13-H3C(O)CH3
  345108.7101  0.0025 -5.4950 3  192.5424504 -59516140431 626 2    30 525 2      C-13-H3C(O)CH3
  345108.7236  0.0025 -3.4408 3  192.5424504  59516140431 626 2    30 625 2      C-13-H3C(O)CH3
  345108.7236  0.0025 -5.4950 3  192.5424504  59516140431 526 2    30 625 2      C-13-H3C(O)CH3
  345126.2607  0.2883 -6.7490 3 1905.0538D68  595161404854144 0    854045 0      C-13-H3C(O)CH3
  345126.2620  0.2883 -6.7490 3 1905.0538D68  595161404854244 0    854145 0      C-13-H3C(O)CH3
  345129.3263  0.2765 -6.6696 3 1770.4462C40  595161404776117 1    776018 1      C-13-H3C(O)CH3
  345138.4520  0.0286 -4.7071 3  307.5251680  59516140442 340 2    42 241 2      C-13-H3C(O)CH3
  345138.4520  0.0286 -5.8703 3  307.5251680  59516140442 340 2    42 141 2      C-13-H3C(O)CH3
  345138.4520  0.0286 -4.7071 3  307.5251680  59516140442 240 2    42 141 2      C-13-H3C(O)CH3
  345138.4520  0.0286 -5.8703 3  307.5251680  59516140442 240 2    42 241 2      C-13-H3C(O)CH3
  345139.0269  0.0304 -5.5968 3  307.5255680  59516140442 240 1    42 141 1      C-13-H3C(O)CH3
  345139.0269  0.0304 -4.7342 3  307.5255680  59516140442 340 1    42 141 1      C-13-H3C(O)CH3
  345139.0269  0.0304 -5.5968 3  307.5255680  59516140442 340 1    42 241 1      C-13-H3C(O)CH3
  345139.0269  0.0304 -4.7342 3  307.5255680  59516140442 240 1    42 241 1      C-13-H3C(O)CH3
  345157.9160  0.1993 -6.1207 3 1213.1586984  5951614046158 3 1    6157 4 1      C-13-H3C(O)CH3
  345158.8206  0.0021 -4.6231 3  192.5300504 -59516140431 526 0    30 625 0      C-13-H3C(O)CH3
  345158.8206  0.0021 -3.4661 3  192.5300504 -59516140431 626 0    30 625 0      C-13-H3C(O)CH3
  345158.8642  0.0021 -4.6231 3  192.5300504  59516140431 626 0    30 525 0      C-13-H3C(O)CH3
  345158.8642  0.0021 -3.4661 3  192.5300504  59516140431 526 0    30 525 0      C-13-H3C(O)CH3
  345194.9996  0.1972 -6.4218 3 1213.1522492  5951614046158 4 3    6157 5 3      C-13-H3C(O)CH3
  345198.0714  0.2205 -6.1206 3 1213.1388984  5951614046158 3 2    6157 4 2      C-13-H3C(O)CH3
  345219.2603  0.2027 -6.4218 3 1213.1455492  5951614046158 4 4    6157 5 4      C-13-H3C(O)CH3
  345222.9899  0.1889 -6.1206 3 1213.1321984  5951614046158 4 2    6157 5 2      C-13-H3C(O)CH3
  345236.9556  0.0182 -4.6792 3  333.5124696  59516140443 340 0    43 341 0      C-13-H3C(O)CH3
  345236.9556  0.0182 -4.6837 3  333.5124696  59516140443 440 0    43 241 0      C-13-H3C(O)CH3
  345236.9556  0.0182 -5.1643 3  333.5124696  59516140443 440 0    43 341 0      C-13-H3C(O)CH3
  345236.9556  0.0182 -5.1782 3  333.5124696  59516140443 340 0    43 241 0      C-13-H3C(O)CH3
  345245.6769  0.0205 -6.5458 3  261.0033244  5951614043023 8 3    302011 3      C-13-H3C(O)CH3
  345251.5878  0.0151 -6.2332 3  261.0222488  5951614043023 8 1    302011 1      C-13-H3C(O)CH3
  345295.8960  0.0180 -4.8832 3  854.2680968  595161404601941 0    601942 0      C-13-H3C(O)CH3
  345295.8960  0.0180 -4.8832 3  854.2680968  595161404602041 0    601842 0      C-13-H3C(O)CH3
  345321.9068  0.0165 -6.0543 3  311.4837536  595161404332410 1    332113 1      C-13-H3C(O)CH3
  345329.8138  0.0090 -5.7149 3  296.6217536  595161404332014 0    331717 0      C-13-H3C(O)CH3
  345332.4000  0.0137 -6.8699 3  174.8064204  5951614042518 7 3    251312 3      C-13-H3C(O)CH3
  345333.1655  0.0232 -6.3712 3  311.4613268  595161404332410 3    332113 3      C-13-H3C(O)CH3
  345355.4531  0.0221 -6.6638 3  384.7092600  595161404372512 2    372216 2      C-13-H3C(O)CH3
  345362.6112  0.0093 -5.7156 3  296.5962536  595161404332014 2    331717 2      C-13-H3C(O)CH3
  345369.2449  0.2306 -6.4215 3 1213.1776492  5951614046158 3 4    6157 4 4      C-13-H3C(O)CH3
  345374.0695  0.0211 -5.1975 3  854.2621968  595161404602041 1    601842 1      C-13-H3C(O)CH3
  345374.0695  0.0211 -5.1689 3  854.2621968  595161404602041 1    601942 1      C-13-H3C(O)CH3
  345374.0695  0.0211 -5.1689 3  854.2621968  595161404601941 1    601842 1      C-13-H3C(O)CH3
  345374.0695  0.0211 -5.1975 3  854.2621968  595161404601941 1    601942 1      C-13-H3C(O)CH3
  345376.2226  0.0228 -5.0439 3  854.2621968  595161404601941 2    601842 2      C-13-H3C(O)CH3
  345376.2226  0.0228 -5.0439 3  854.2621968  595161404602041 2    601942 2      C-13-H3C(O)CH3
  345376.2226  0.0228 -5.3889 3  854.2621968  595161404602041 2    601842 2      C-13-H3C(O)CH3
  345376.2226  0.0228 -5.3889 3  854.2621968  595161404601941 2    601942 2      C-13-H3C(O)CH3
  345388.6727  0.0092 -5.7157 3  296.6004536  595161404332014 1    331717 1      C-13-H3C(O)CH3
  345393.8264  0.1928 -6.4216 3 1213.1710492  5951614046158 3 3    6157 4 3      C-13-H3C(O)CH3
  345398.1170  0.0077 -5.5996 3   57.4680248  5951614041511 4 1    14 8 6 1      C-13-H3C(O)CH3
  345419.2142  0.0095 -6.0173 3  296.5749268  595161404332014 4    331717 4      C-13-H3C(O)CH3
  345421.1688  0.0091 -6.0173 3  296.5749268  595161404332014 3    331717 3      C-13-H3C(O)CH3
  345428.4404  0.0276 -6.8079 3  384.6878300  595161404372512 4    372216 4      C-13-H3C(O)CH3
  345428.9939  0.1936 -6.1774 3 1405.8854A80  5951614046759 8 2    6758 9 2      C-13-H3C(O)CH3
  345435.9482  0.0228 -6.6878 3  261.0033244  5951614043023 7 3    302011 3      C-13-H3C(O)CH3
  345448.1732  0.0259 -6.3017 3  311.4613268  595161404332410 4    332113 4      C-13-H3C(O)CH3
  345448.2764  0.0408 -5.5886 3  282.1032664  59516140441 140 2    41 041 2      C-13-H3C(O)CH3
  345448.2764  0.0408 -5.0267 3  282.1032664  59516140441 140 2    41 141 2      C-13-H3C(O)CH3
  345448.2764  0.0408 -5.0267 3  282.1032664  59516140441 240 2    41 041 2      C-13-H3C(O)CH3
  345448.2764  0.0408 -5.5886 3  282.1032664  59516140441 240 2    41 141 2      C-13-H3C(O)CH3
  345448.9563  0.0426 -5.2924 3  282.1036664  59516140441 140 1    41 041 1      C-13-H3C(O)CH3
  345448.9563  0.0426 -5.1626 3  282.1036664  59516140441 140 1    41 141 1      C-13-H3C(O)CH3
  345448.9563  0.0426 -5.1626 3  282.1036664  59516140441 240 1    41 041 1      C-13-H3C(O)CH3
  345448.9563  0.0426 -5.2924 3  282.1036664  59516140441 240 1    41 141 1      C-13-H3C(O)CH3
  345454.5041  0.0200 -5.2884 3  854.2561484  595161404601941 3    601942 3      C-13-H3C(O)CH3
  345454.5041  0.0200 -5.2884 3  854.2561484  595161404602041 3    601842 3      C-13-H3C(O)CH3
  345454.5041  0.0200 -5.8483 3  854.2561484  595161404602041 3    601942 3      C-13-H3C(O)CH3
  345454.5041  0.0200 -5.8483 3  854.2561484  595161404601941 3    601842 3      C-13-H3C(O)CH3
  345454.6650  0.0200 -5.1853 3  854.2561484  595161404602041 4    601942 4      C-13-H3C(O)CH3
  345454.6650  0.0200 -5.1853 3  854.2561484  595161404601941 4    601842 4      C-13-H3C(O)CH3
  345470.8153  0.1717 -6.4785 3 1405.8918540  5951614046759 8 4    6758 9 4      C-13-H3C(O)CH3
  345474.9141  0.2389 -6.1773 3 1405.8865A80  5951614046759 8 0    6758 9 0      C-13-H3C(O)CH3
  345474.9141  0.2389 -6.1773 3 1405.8865A80  5951614046759 9 0    675810 0      C-13-H3C(O)CH3
  345504.8310  0.1605 -6.4784 3 1405.8668540  5951614046759 9 3    6758 9 3      C-13-H3C(O)CH3
  345516.9845  0.1843 -6.1774 3 1405.8930A80  5951614046759 8 1    6758 9 1      C-13-H3C(O)CH3
  345520.6349  0.0078 -5.6562 3   57.4621248  5951614041511 4 2    14 8 6 2      C-13-H3C(O)CH3
  345544.1834  0.0158 -6.2170 3  311.4837536  5951614043324 9 1    332113 1      C-13-H3C(O)CH3
  345550.2642  0.1794 -6.1773 3 1405.8678A80  5951614046759 9 1    675810 1      C-13-H3C(O)CH3
  345556.5075  0.0224 -6.6136 3  311.4613268  5951614043324 9 4    332113 4      C-13-H3C(O)CH3
  345586.8633  0.1898 -6.1772 3 1405.8581A80  5951614046759 9 2    675810 2      C-13-H3C(O)CH3
  345628.9721  0.1727 -6.4782 3 1405.8645540  5951614046759 8 3    675810 3      C-13-H3C(O)CH3
  345651.7243  0.0271 -5.8474 3  307.4792680  59516140442 240 0    42 141 0      C-13-H3C(O)CH3
  345651.7243  0.0271 -4.7069 3  307.4792680  59516140442 240 0    42 241 0      C-13-H3C(O)CH3
  345651.7243  0.0271 -4.7069 3  307.4792680  59516140442 340 0    42 141 0      C-13-H3C(O)CH3
  345651.7243  0.0271 -5.8474 3  307.4792680  59516140442 340 0    42 241 0      C-13-H3C(O)CH3
  345661.1653  0.0192 -5.5440 3  409.9644600  5951614043730 8 0    3631 5 0      C-13-H3C(O)CH3
  345661.1681  0.0192 -5.5440 3  409.9644600  5951614043730 7 0    3631 6 0      C-13-H3C(O)CH3
  345662.0745  0.1882 -6.4781 3 1405.8394540  5951614046759 9 4    675810 4      C-13-H3C(O)CH3
  345665.0466  0.0184 -6.2896 3  261.0255488  5951614043023 8 2    302011 2      C-13-H3C(O)CH3
  345671.1368  0.1829 -6.6897 3 1581.9661580  595161404726012 4    725913 4      C-13-H3C(O)CH3
  345673.7508  0.0244 -6.4988 3  311.4613268  5951614043324 9 3    332113 3      C-13-H3C(O)CH3
  345706.1641  0.0100 -5.7293 3   57.5106124  5951614041511 4 4    14 8 6 4      C-13-H3C(O)CH3
  345724.6805  0.0190 -5.5446 3  409.9409600  5951614043730 7 1    3631 5 1      C-13-H3C(O)CH3
  345746.4571  0.2217 -6.3885 3 1581.9776B60  595161404726012 2    725913 2      C-13-H3C(O)CH3
  345764.1232  0.0131 -5.8280 3  311.5043536  595161404332410 0    332113 0      C-13-H3C(O)CH3
  345792.7728  0.0185 -6.0128 3  311.4820536  595161404332410 2    332113 2      C-13-H3C(O)CH3
  345824.9686  0.2086 -6.3884 3 1581.9742B60  595161404726012 1    725913 1      C-13-H3C(O)CH3
  345826.0769  0.2042 -6.6894 3 1581.9378580  595161404726012 3    725913 3      C-13-H3C(O)CH3
  345839.3898  0.2089 -6.6893 3 1581.9305580  595161404726013 3    725914 3      C-13-H3C(O)CH3
  345845.1856  0.0165 -6.4005 3  261.0222488  5951614043023 7 1    302011 1      C-13-H3C(O)CH3
  345870.2323  0.2018 -6.1823 3 1184.6279968  5951614046058 3 1    6057 4 1      C-13-H3C(O)CH3
  345871.8373  0.0248 -6.7248 3  261.0023244  5951614043023 7 4    302011 4      C-13-H3C(O)CH3
  345899.8518  0.2709 -6.3882 3 1581.9856B60  595161404726012 0    725914 0      C-13-H3C(O)CH3
  345899.8518  0.2709 -6.3882 3 1581.9856B60  595161404726013 0    725913 0      C-13-H3C(O)CH3
  345904.0463  0.2353 -6.1821 3 1184.6091968  5951614046058 3 0    6057 3 0      C-13-H3C(O)CH3
  345904.0463  0.2353 -6.1821 3 1184.6091968  5951614046058 2 0    6057 4 0      C-13-H3C(O)CH3
  345914.5525  0.2292 -6.3882 3 1581.9420B60  595161404726013 2    725914 2      C-13-H3C(O)CH3
  345917.9506  0.0209 -6.2919 3  311.4820536  5951614043324 9 2    332113 2      C-13-H3C(O)CH3
  345964.0803  0.0201 -5.5435 3  409.9105600  5951614043730 8 1    3631 6 1      C-13-H3C(O)CH3
  345979.4114  0.2151 -6.3881 3 1581.9459B60  595161404726013 1    725914 1      C-13-H3C(O)CH3
  345985.5025  0.0164 -4.8276 3  818.2764952  595161404591841 0    591842 0      C-13-H3C(O)CH3
  345985.5025  0.0164 -4.8276 3  818.2764952  595161404591941 0    591742 0      C-13-H3C(O)CH3
  345988.4695  0.0219 -6.0064 3  433.9310324  595161404402218 3    392515 3      C-13-H3C(O)CH3
  345993.8334  0.2385 -6.6890 3 1581.9023580  595161404726013 4    725914 4      C-13-H3C(O)CH3
  345994.1503  0.1239 -6.4335 3 1577.0594628  595161404783543 4    783444 4      C-13-H3C(O)CH3
  345994.1504  0.1239 -6.4335 3 1577.0594628  595161404783643 4    783544 4      C-13-H3C(O)CH3
  345994.2064  0.1239 -6.4335 3 1577.0594628  595161404783643 3    783544 3      C-13-H3C(O)CH3
  345994.2064  0.1239 -6.4335 3 1577.0594628  595161404783543 3    783444 3      C-13-H3C(O)CH3
  345994.7389  0.0189 -5.5426 3  409.9282600  5951614043730 8 2    3631 6 2      C-13-H3C(O)CH3
  345997.3442  0.0190 -5.5436 3  409.9419600  5951614043730 7 2    3631 5 2      C-13-H3C(O)CH3
  346028.4077  0.1403 -6.1324 3 1577.0448C56  595161404783543 1    783444 1      C-13-H3C(O)CH3
  346028.4078  0.1403 -6.1324 3 1577.0448C56  595161404783643 1    783544 1      C-13-H3C(O)CH3
  346029.2580  0.1317 -6.1333 3 1577.0479C56  595161404783643 2    783544 2      C-13-H3C(O)CH3
  346029.2580  0.1317 -6.1334 3 1577.0479C56  595161404783543 2    783444 2      C-13-H3C(O)CH3
  346042.6639  0.0481 -5.5526 3 1234.2689B28  595161404702942 1    702843 1      C-13-H3C(O)CH3
  346042.6639  0.0481 -6.5675 3 1234.2689B28  595161404702942 1    702743 1      C-13-H3C(O)CH3
  346042.6639  0.0481 -6.8434 3 1234.2689B28  595161404702842 1    702843 1      C-13-H3C(O)CH3
  346042.6639  0.0481 -5.5333 3 1234.2689B28  595161404702842 1    702743 1      C-13-H3C(O)CH3
  346042.9989  0.0476 -5.5215 3 1234.2504B28  595161404702842 0    702843 0      C-13-H3C(O)CH3
  346042.9989  0.0476 -5.5215 3 1234.2504B28  595161404702942 0    702743 0      C-13-H3C(O)CH3
  346043.2072  0.0202 -6.0079 3  433.9293324  595161404402218 4    392515 4      C-13-H3C(O)CH3
  346045.8716  0.0129 -6.6980 3  174.8124408  5951614042518 7 1    251312 1      C-13-H3C(O)CH3
  346046.4983  0.0141 -4.5175 3   97.9749312 -5951614041914 6 1    1813 5 1      C-13-H3C(O)CH3
  346047.0744  0.0526 -5.8137 3 1234.2892564  595161404702842 3    702743 3      C-13-H3C(O)CH3
  346047.0744  0.0526 -5.8137 3 1234.2892564  595161404702942 3    702843 3      C-13-H3C(O)CH3
  346047.1180  0.0527 -6.7760 3 1234.2892564  595161404702942 4    702743 4      C-13-H3C(O)CH3
  346047.1180  0.0527 -5.8637 3 1234.2892564  595161404702842 4    702743 4      C-13-H3C(O)CH3
  346047.1180  0.0527 -6.0001 3 1234.2892564  595161404702942 4    702843 4      C-13-H3C(O)CH3
  346047.1180  0.0527 -6.2705 3 1234.2892564  595161404702842 4    702843 4      C-13-H3C(O)CH3
  346047.3645  0.0531 -5.7661 3 1234.2706B28  595161404702842 2    702743 2      C-13-H3C(O)CH3
  346047.3645  0.0531 -5.8669 3 1234.2706B28  595161404702942 2    702743 2      C-13-H3C(O)CH3
  346047.3645  0.0531 -5.7661 3 1234.2706B28  595161404702942 2    702843 2      C-13-H3C(O)CH3
  346047.3645  0.0531 -5.8669 3 1234.2706B28  595161404702842 2    702843 2      C-13-H3C(O)CH3
  346055.8483  0.0210 -5.8442 3  409.9047300  5951614043730 7 3    3631 5 3      C-13-H3C(O)CH3
  346056.0438  0.0137 -6.0094 3  261.0446488  5951614043023 8 0    302011 0      C-13-H3C(O)CH3
  346059.9159  0.0219 -5.8453 3  409.9184300  5951614043730 7 4    3631 5 4      C-13-H3C(O)CH3
  346061.3745  0.0393 -4.9799 3  282.0362664  59516140441 140 0    41 041 0      C-13-H3C(O)CH3
  346061.3745  0.0393 -5.8063 3  282.0362664  59516140441 240 0    41 041 0      C-13-H3C(O)CH3
  346061.3745  0.0393 -5.8063 3  282.0362664  59516140441 140 0    41 141 0      C-13-H3C(O)CH3
  346061.3745  0.0393 -4.9799 3  282.0362664  59516140441 240 0    41 141 0      C-13-H3C(O)CH3
  346063.4282  0.1425 -6.1323 3 1577.0333C56  595161404783543 0    783444 0      C-13-H3C(O)CH3
  346063.4282  0.1425 -6.1323 3 1577.0333C56  595161404783643 0    783544 0      C-13-H3C(O)CH3
  346067.6160  0.0193 -6.0286 3  818.2664952  595161404591841 1    591742 1      C-13-H3C(O)CH3
  346067.6160  0.0193 -4.8307 3  818.2664952  595161404591941 1    591742 1      C-13-H3C(O)CH3
  346067.6160  0.0193 -4.8554 3  818.2664952  595161404591841 1    591842 1      C-13-H3C(O)CH3
  346068.4390  0.0182 -6.3343 3  261.0255488  5951614043023 7 2    302011 2      C-13-H3C(O)CH3
  346069.2837  0.0205 -5.3486 3  818.2662952  595161404591941 2    591842 2      C-13-H3C(O)CH3
  346069.2837  0.0205 -4.9828 3  818.2662952  595161404591941 2    591742 2      C-13-H3C(O)CH3
  346069.2837  0.0205 -4.9828 3  818.2662952  595161404591841 2    591842 2      C-13-H3C(O)CH3
  346069.2837  0.0205 -5.3486 3  818.2662952  595161404591841 2    591742 2      C-13-H3C(O)CH3
  346090.5416  0.2166 -6.1820 3 1184.6553968  5951614046058 2 1    6057 3 1      C-13-H3C(O)CH3
  346113.2513  0.0097 -6.4832 3  174.8121408  5951614042518 7 0    251312 0      C-13-H3C(O)CH3
  346119.7432  0.2154 -6.4831 3 1184.6509484  5951614046058 3 4    6057 4 4      C-13-H3C(O)CH3
  346127.5374  0.0214 -5.7041 3  433.9488648  595161404402218 2    392515 2      C-13-H3C(O)CH3
  346134.1158  0.0021 -3.7319 3  196.5677260 -59516140432 528 3    31 427 3      C-13-H3C(O)CH3
  346134.1158  0.0021 -4.1484 3  196.5677260 -59516140432 528 4    31 527 4      C-13-H3C(O)CH3
  346134.1158  0.0021 -4.9497 3  196.5677260 -59516140432 428 3    31 427 3      C-13-H3C(O)CH3
  346134.1158  0.0021 -4.1484 3  196.5677260 -59516140432 428 4    31 427 4      C-13-H3C(O)CH3
  346134.1217  0.0021 -4.6041 3  196.5677260  59516140432 528 3    31 527 3      C-13-H3C(O)CH3
  346134.1217  0.0021 -3.7652 3  196.5677260  59516140432 428 3    31 527 3      C-13-H3C(O)CH3
  346134.1253  0.0021 -3.9012 3  196.5677260  59516140432 528 4    31 427 4      C-13-H3C(O)CH3
  346134.1253  0.0021 -3.9012 3  196.5677260  59516140432 428 4    31 527 4      C-13-H3C(O)CH3
  346146.6791  0.2147 -6.4830 3 1184.6537484  5951614046058 3 3    6057 4 3      C-13-H3C(O)CH3
  346151.5076  0.0185 -5.2590 3  818.2561476  595161404591841 3    591842 3      C-13-H3C(O)CH3
  346151.5076  0.0185 -5.7122 3  818.2561476  595161404591841 3    591742 3      C-13-H3C(O)CH3
  346151.5076  0.0185 -5.7122 3  818.2561476  595161404591941 3    591842 3      C-13-H3C(O)CH3
  346151.5076  0.0185 -5.2590 3  818.2561476  595161404591941 3    591742 3      C-13-H3C(O)CH3
  346151.6613  0.0186 -5.3268 3  818.2561476  595161404591841 4    591842 4      C-13-H3C(O)CH3
  346151.6613  0.0186 -5.5627 3  818.2561476  595161404591841 4    591742 4      C-13-H3C(O)CH3
  346151.6613  0.0186 -5.5627 3  818.2561476  595161404591941 4    591842 4      C-13-H3C(O)CH3
  346151.6613  0.0186 -5.3268 3  818.2561476  595161404591941 4    591742 4      C-13-H3C(O)CH3
  346153.4287  0.2024 -6.1819 3 1184.6321968  5951614046058 3 2    6057 4 2      C-13-H3C(O)CH3
  346179.2958  0.0025 -3.5898 3  196.5488520 -59516140432 528 1    31 427 1      C-13-H3C(O)CH3
  346179.2958  0.0025 -3.8660 3  196.5488520 -59516140432 428 1    31 427 1      C-13-H3C(O)CH3
  346179.3168  0.0025 -3.5898 3  196.5488520  59516140432 428 1    31 527 1      C-13-H3C(O)CH3
  346179.3168  0.0025 -3.8660 3  196.5488520  59516140432 528 1    31 527 1      C-13-H3C(O)CH3
  346179.6364  0.0025 -3.4371 3  196.5482520  59516140432 528 2    31 427 2      C-13-H3C(O)CH3
  346179.6364  0.0025 -4.5568 3  196.5482520  59516140432 428 2    31 427 2      C-13-H3C(O)CH3
  346179.6999  0.0025 -4.5568 3  196.5482520 -59516140432 528 2    31 527 2      C-13-H3C(O)CH3
  346179.6999  0.0025 -3.4371 3  196.5482520 -59516140432 428 2    31 527 2      C-13-H3C(O)CH3
  346179.8959  0.2413 -6.1817 3 1184.6348968  5951614046058 2 2    6057 3 2      C-13-H3C(O)CH3
  346224.7253  0.0021 -3.5599 3  196.5294520  59516140432 528 0    31 427 0      C-13-H3C(O)CH3
  346224.7253  0.0021 -3.9285 3  196.5294520  59516140432 428 0    31 427 0      C-13-H3C(O)CH3
  346224.7285  0.0021 -3.5599 3  196.5294520 -59516140432 428 0    31 527 0      C-13-H3C(O)CH3
  346224.7285  0.0021 -3.9285 3  196.5294520 -59516140432 528 0    31 527 0      C-13-H3C(O)CH3
  346230.2341  0.0447 -6.8297 3  881.1031936  595161404582731 0    573028 0      C-13-H3C(O)CH3
  346240.3343  0.0123 -6.0950 3  473.8438340  595161404422220 3    412517 3      C-13-H3C(O)CH3
  346240.3905  0.0131 -6.6728 3  174.8061408  5951614042518 7 2    251312 2      C-13-H3C(O)CH3
  346241.6113  0.0447 -6.8297 3  881.1028936  595161404582831 0    572928 0      C-13-H3C(O)CH3
  346254.5669  0.0125 -6.0950 3  473.8433340  595161404422220 4    412517 4      C-13-H3C(O)CH3
  346265.5966  0.0477 -6.8285 3  881.1083936  595161404582731 1    573028 1      C-13-H3C(O)CH3
  346268.7370  0.0527 -6.8279 3  881.1088936  595161404582731 2    573028 2      C-13-H3C(O)CH3
  346278.0070  0.0476 -6.8285 3  881.1079936  595161404582831 1    572928 1      C-13-H3C(O)CH3
  346280.9940  0.0529 -6.8279 3  881.1084936  595161404582831 2    572928 2      C-13-H3C(O)CH3
  346294.4607  0.0228 -5.8431 3  409.8742300  5951614043730 8 4    3631 6 4      C-13-H3C(O)CH3
  346297.5714  0.0210 -5.8441 3  409.8881300  5951614043730 8 3    3631 6 3      C-13-H3C(O)CH3
  346341.3149  0.2064 -6.4828 3 1184.6783484  5951614046058 2 3    6057 3 3      C-13-H3C(O)CH3
  346344.7962  0.0142 -5.7928 3  473.8618680  595161404422220 2    412517 2      C-13-H3C(O)CH3
  346364.5200  0.0138 -5.7945 3  473.8656680  595161404422220 1    412517 1      C-13-H3C(O)CH3
  346368.4324  0.2526 -6.4827 3 1184.6810484  5951614046058 2 4    6057 3 4      C-13-H3C(O)CH3
  346368.7326  0.0163 -5.7027 3  433.9487648  595161404402218 1    392515 1      C-13-H3C(O)CH3
  346397.7343  0.0137 -4.4026 3   97.9730312 -5951614041914 6 2    1813 5 2      C-13-H3C(O)CH3
  346406.1951  0.0103 -6.2209 3   43.4429108  5951614041311 3 4    12 8 5 4      C-13-H3C(O)CH3
  346462.4188  0.0135 -5.7933 3  473.8838680  595161404422220 0    412517 0      C-13-H3C(O)CH3
  346484.1487  0.0170 -5.7006 3  433.9672648  595161404402218 0    392515 0      C-13-H3C(O)CH3
  346602.2132  0.0038 -4.7722 3   63.1960132  5951614041610 7 4    15 7 8 4      C-13-H3C(O)CH3
  346644.3242  0.0149 -5.0733 3  782.8638936  595161404581841 0    581742 0      C-13-H3C(O)CH3
  346644.3242  0.0149 -5.0733 3  782.8638936  595161404581741 0    581642 0      C-13-H3C(O)CH3
  346644.3242  0.0149 -5.0793 3  782.8638936  595161404581841 0    581642 0      C-13-H3C(O)CH3
  346644.3242  0.0149 -5.0793 3  782.8638936  595161404581741 0    581742 0      C-13-H3C(O)CH3
  346673.1371  0.0036 -4.7718 3   63.1958132  5951614041610 7 3    15 7 8 3      C-13-H3C(O)CH3
  346678.2814  0.1991 -6.1585 3 1374.4346A64  5951614046659 7 2    6658 8 2      C-13-H3C(O)CH3
  346679.6513  0.2393 -6.1585 3 1374.4337A64  5951614046659 8 0    6658 8 0      C-13-H3C(O)CH3
  346679.6513  0.2393 -6.1585 3 1374.4337A64  5951614046659 7 0    6658 9 0      C-13-H3C(O)CH3
  346702.2556  0.2185 -6.2958 3 1156.6148952  5951614045958 2 1    5957 3 1      C-13-H3C(O)CH3
  346722.8167  0.0437 -5.9947 3  485.3932340  595161404422517 3    422220 3      C-13-H3C(O)CH3
  346728.0664  0.0176 -4.8644 3  782.8497936  595161404581841 1    581642 1      C-13-H3C(O)CH3
  346728.0664  0.0176 -5.5053 3  782.8497936  595161404581841 1    581742 1      C-13-H3C(O)CH3
  346728.0664  0.0176 -4.8644 3  782.8497936  595161404581741 1    581742 1      C-13-H3C(O)CH3
  346728.0664  0.0176 -5.5053 3  782.8497936  595161404581741 1    581642 1      C-13-H3C(O)CH3
  346729.2628  0.0183 -5.9262 3  782.8494936  595161404581741 2    581642 2      C-13-H3C(O)CH3
  346729.2628  0.0183 -4.8068 3  782.8494936  595161404581741 2    581742 2      C-13-H3C(O)CH3
  346729.2628  0.0183 -4.8068 3  782.8494936  595161404581841 2    581642 2      C-13-H3C(O)CH3
  346729.2628  0.0183 -5.9262 3  782.8494936  595161404581841 2    581742 2      C-13-H3C(O)CH3
  346731.0538  0.0433 -5.9948 3  485.3931340  595161404422517 4    422220 4      C-13-H3C(O)CH3
  346744.7661  0.1659 -6.4595 3 1374.4214532  5951614046659 8 3    6658 9 3      C-13-H3C(O)CH3
  346745.5328  0.1816 -6.1584 3 1374.4205A64  5951614046659 8 1    6658 9 1      C-13-H3C(O)CH3
  346749.4719  0.1837 -6.4595 3 1374.4459532  5951614046659 7 4    6658 8 4      C-13-H3C(O)CH3
  346750.8716  0.1880 -6.1585 3 1374.4451A64  5951614046659 7 1    6658 8 1      C-13-H3C(O)CH3
  346759.6162  0.0409 -5.6947 3  485.4146680  595161404422517 2    422220 2      C-13-H3C(O)CH3
  346765.1293  0.2848 -6.6152 3 1734.0687C24  595161404766115 2    766016 2      C-13-H3C(O)CH3
  346770.3834  0.2540 -6.2955 3 1156.5908952  5951614045958 2 0    5957 2 0      C-13-H3C(O)CH3
  346770.3834  0.2540 -6.2955 3 1156.5908952  5951614045958 1 0    5957 3 0      C-13-H3C(O)CH3
  346785.1554  0.0135 -5.6288 3  403.2313616  595161404382514 0    382217 0      C-13-H3C(O)CH3
  346787.0067  0.2509 -6.6152 3 1734.0610C24  595161404766115 1    766016 1      C-13-H3C(O)CH3
  346813.1159  0.0172 -6.0371 3  782.8352468  595161404581741 3    581642 3      C-13-H3C(O)CH3
  346813.1159  0.0172 -5.1259 3  782.8352468  595161404581841 3    581642 3      C-13-H3C(O)CH3
  346813.1159  0.0172 -5.1259 3  782.8352468  595161404581741 3    581742 3      C-13-H3C(O)CH3
  346813.1159  0.0172 -6.0371 3  782.8352468  595161404581841 3    581742 3      C-13-H3C(O)CH3
  346813.2546  0.0173 -5.4275 3  782.8352468  595161404581841 4    581742 4      C-13-H3C(O)CH3
  346813.2546  0.0173 -5.4275 3  782.8352468  595161404581741 4    581642 4      C-13-H3C(O)CH3
  346813.2546  0.0173 -5.3313 3  782.8352468  595161404581841 4    581642 4      C-13-H3C(O)CH3
  346813.2546  0.0173 -5.3313 3  782.8352468  595161404581741 4    581742 4      C-13-H3C(O)CH3
  346820.3090  0.1895 -6.1583 3 1374.4111A64  5951614046659 8 2    6658 9 2      C-13-H3C(O)CH3
  346848.8101  0.0133 -5.6300 3  403.2092616  595161404382514 1    382217 1      C-13-H3C(O)CH3
  346864.3637  0.0118 -6.6887 3  162.7294392  5951614042418 6 0    241311 0      C-13-H3C(O)CH3
  346886.0734  0.1891 -6.4593 3 1374.3978532  5951614046659 8 4    6658 9 4      C-13-H3C(O)CH3
  346891.7290  0.1757 -6.4593 3 1374.4224532  5951614046659 7 3    6658 8 3      C-13-H3C(O)CH3
  346902.8826  0.0033 -4.4706 3   63.1586264  5951614041610 7 1    15 7 8 1      C-13-H3C(O)CH3
  346909.9188  0.2695 -6.6149 3 1734.0349C24  595161404766116 2    766017 2      C-13-H3C(O)CH3
  346935.6996  0.0036 -4.4711 3   63.1559264  5951614041610 7 2    15 7 8 2      C-13-H3C(O)CH3
  346938.9349  0.2877 -6.6149 3 1734.0813C24  595161404766115 0    766016 0      C-13-H3C(O)CH3
  346938.9349  0.2877 -6.6149 3 1734.0813C24  595161404766116 0    766017 0      C-13-H3C(O)CH3
  346942.4015  0.2400 -6.6513 3 1854.8462D52  595161404844044 2    843945 2      C-13-H3C(O)CH3
  346942.4018  0.2400 -6.6513 3 1854.8462D52  595161404844144 2    844045 2      C-13-H3C(O)CH3
  346946.0108  0.2598 -6.6508 3 1854.8436D52  595161404844044 1    843945 1      C-13-H3C(O)CH3
  346946.0114  0.2598 -6.6508 3 1854.8436D52  595161404844144 1    844045 1      C-13-H3C(O)CH3
  346960.1254  0.2290 -6.5967 3 1156.6490476  5951614045958 2 4    5957 3 4      C-13-H3C(O)CH3
  346969.6277  0.2375 -6.2954 3 1156.6448952  5951614045958 1 1    5957 2 1      C-13-H3C(O)CH3
  346974.5783  0.2627 -6.6508 3 1854.8446D52  595161404844044 0    843945 0      C-13-H3C(O)CH3
  346974.5788  0.2627 -6.6508 3 1854.8446D52  595161404844144 0    844045 0      C-13-H3C(O)CH3
  346997.2790  0.2666 -6.6147 3 1734.0313C24  595161404766116 1    766017 1      C-13-H3C(O)CH3
  347028.0712  0.2179 -6.2953 3 1156.6251952  5951614045958 2 2    5957 2 2      C-13-H3C(O)CH3
  347046.7017  0.2348 -6.5964 3 1156.6485476  5951614045958 2 3    5957 3 3      C-13-H3C(O)CH3
  347063.1857  0.0037 -4.1152 3   95.7068156  5951614041913 6 3    1812 7 3      C-13-H3C(O)CH3
  347084.5762  0.0414 -6.6493 3 1192.4955B12  595161404692742 0    692643 0      C-13-H3C(O)CH3
  347084.5762  0.0414 -5.4656 3 1192.4955B12  595161404692742 0    692743 0      C-13-H3C(O)CH3
  347084.5762  0.0414 -6.6493 3 1192.4955B12  595161404692842 0    692743 0      C-13-H3C(O)CH3
  347084.5762  0.0414 -5.4656 3 1192.4955B12  595161404692842 0    692643 0      C-13-H3C(O)CH3
  347084.6258  0.0146 -5.6374 3  403.2035616  595161404382514 2    382217 2      C-13-H3C(O)CH3
  347092.6930  0.0426 -5.6811 3 1192.5133B12  595161404692842 1    692743 1      C-13-H3C(O)CH3
  347092.6930  0.0426 -5.8059 3 1192.5133B12  595161404692842 1    692643 1      C-13-H3C(O)CH3
  347092.6930  0.0426 -5.6811 3 1192.5133B12  595161404692742 1    692643 1      C-13-H3C(O)CH3
  347092.6930  0.0426 -5.8059 3 1192.5133B12  595161404692742 1    692743 1      C-13-H3C(O)CH3
  347097.4754  0.0482 -5.4401 3 1192.5148B12  595161404692842 2    692643 2      C-13-H3C(O)CH3
  347097.4754  0.0482 -5.4401 3 1192.5148B12  595161404692742 2    692743 2      C-13-H3C(O)CH3
  347097.6374  0.0146 -5.9445 3  403.1814308  595161404382514 4    382217 4      C-13-H3C(O)CH3
  347100.7850  0.0031 -3.7801 3   94.7485148 -5951614041816 2 4    1715 2 4      C-13-H3C(O)CH3
  347102.8474  0.0233 -5.6958 3  485.4191680  595161404422517 1    422220 1      C-13-H3C(O)CH3
  347103.5194  0.0140 -5.7327 3  366.5864584  595161404362512 1    362215 1      C-13-H3C(O)CH3
  347105.6459  0.0471 -5.7495 3 1192.5326556  595161404692842 3    692743 3      C-13-H3C(O)CH3
  347105.6459  0.0471 -5.7495 3 1192.5326556  595161404692742 3    692643 3      C-13-H3C(O)CH3
  347105.7074  0.0471 -5.7596 3 1192.5326556  595161404692742 4    692643 4      C-13-H3C(O)CH3
  347105.7074  0.0471 -5.7442 3 1192.5326556  595161404692842 4    692643 4      C-13-H3C(O)CH3
  347114.5191  0.2664 -6.2951 3 1156.6245952  5951614045958 1 2    5957 3 2      C-13-H3C(O)CH3
  347127.1797  0.0088 -4.0479 3   97.9692156  5951614041914 6 3    1813 5 3      C-13-H3C(O)CH3
  347139.6423  0.0227 -5.6968 3  485.4405680  595161404422517 0    422220 0      C-13-H3C(O)CH3
  347148.6798  0.0031 -3.7800 3   94.6742148 -5951614041816 2 3    1715 2 3      C-13-H3C(O)CH3
  347153.2485  0.0066 -6.3800 3  175.5420212  595161404261313 3    261016 3      C-13-H3C(O)CH3
  347155.2769  0.0083 -6.3800 3  175.5420212  595161404261313 4    261016 4      C-13-H3C(O)CH3
  347169.5174  0.0227 -6.1757 3  366.5609292  595161404362512 4    362215 4      C-13-H3C(O)CH3
  347189.5572  0.0033 -3.7798 3   94.6702148 -5951614041816 3 3    1715 3 3      C-13-H3C(O)CH3
  347193.8695  0.0165 -5.9337 3  403.1815308  595161404382514 3    382217 3      C-13-H3C(O)CH3
  347200.4511  0.0034 -4.4707 3   63.1187264  5951614041610 7 0    15 7 8 0      C-13-H3C(O)CH3
  347218.7706  0.1743 -6.6489 3 1548.0459572  595161404716011 4    715912 4      C-13-H3C(O)CH3
  347221.9411  0.0022 -3.7008 3  200.0370268  59516140433 430 3    32 329 3      C-13-H3C(O)CH3
  347221.9411  0.0022 -3.7008 3  200.0370268  59516140433 330 3    32 429 3      C-13-H3C(O)CH3
  347221.9558  0.0022 -3.8624 3  200.0371268  59516140433 430 4    32 429 4      C-13-H3C(O)CH3
  347221.9558  0.0022 -4.1345 3  200.0371268  59516140433 330 4    32 429 4      C-13-H3C(O)CH3
  347221.9899  0.0022 -4.9398 3  200.0370268 -59516140433 330 3    32 329 3      C-13-H3C(O)CH3
  347221.9899  0.0022 -3.8624 3  200.0371268 -59516140433 330 4    32 329 4      C-13-H3C(O)CH3
  347221.9899  0.0022 -4.9398 3  200.0370268 -59516140433 430 3    32 429 3      C-13-H3C(O)CH3
  347221.9899  0.0022 -4.1345 3  200.0371268 -59516140433 430 4    32 329 4      C-13-H3C(O)CH3
  347228.9369  0.2211 -6.5963 3 1156.6791476  5951614045958 1 3    5957 2 3      C-13-H3C(O)CH3
  347237.8098  0.0032 -3.7797 3   94.5961148 -5951614041816 3 4    1715 3 4      C-13-H3C(O)CH3
  347238.5681  0.0135 -5.7086 3  366.6072584  595161404362512 0    362215 0      C-13-H3C(O)CH3
  347242.2357  0.0063 -6.0769 3  175.5431424  595161404261313 2    261016 2      C-13-H3C(O)CH3
  347260.8230  0.0025 -3.3781 3  200.0098536  59516140433 430 1    32 429 1      C-13-H3C(O)CH3
  347260.8230  0.0025 -3.3781 3  200.0098536  59516140433 330 1    32 329 1      C-13-H3C(O)CH3
  347260.9277  0.0025 -5.5742 3  200.0098536 -59516140433 330 1    32 429 1      C-13-H3C(O)CH3
  347260.9277  0.0025 -5.5742 3  200.0098536 -59516140433 430 1    32 329 1      C-13-H3C(O)CH3
  347260.9277  0.0025 -3.3766 3  200.0093536 -59516140433 430 2    32 329 2      C-13-H3C(O)CH3
  347260.9277  0.0025 -5.9196 3  200.0093536 -59516140433 330 2    32 329 2      C-13-H3C(O)CH3
  347261.0163  0.0025 -3.3754 3  200.0093536  59516140433 330 2    32 429 2      C-13-H3C(O)CH3
  347261.7642  0.2166 -6.3477 3 1548.0550B44  595161404716011 2    715912 2      C-13-H3C(O)CH3
  347274.4552  0.0133 -4.8703 3  748.0313920  595161404571641 0    571542 0      C-13-H3C(O)CH3
  347274.4552  0.0133 -5.2737 3  748.0313920  595161404571641 0    571642 0      C-13-H3C(O)CH3
  347274.4552  0.0133 -4.8703 3  748.0313920  595161404571741 0    571642 0      C-13-H3C(O)CH3
  347274.4552  0.0133 -5.2737 3  748.0313920  595161404571741 0    571542 0      C-13-H3C(O)CH3
  347297.8231  0.0244 -6.1250 3  366.5610292  595161404362512 3    362215 3      C-13-H3C(O)CH3
  347299.8032  0.0021 -3.4068 3  199.9822536  59516140433 330 0    32 329 0      C-13-H3C(O)CH3
  347299.8032  0.0021 -4.5289 3  199.9822536  59516140433 430 0    32 329 0      C-13-H3C(O)CH3
  347299.8460  0.0021 -4.5289 3  199.9822536 -59516140433 330 0    32 429 0      C-13-H3C(O)CH3
  347299.8460  0.0021 -3.4068 3  199.9822536 -59516140433 430 0    32 429 0      C-13-H3C(O)CH3
  347300.0637  0.0029 -3.8083 3   95.6720312 -5951614041913 6 0    1812 7 0      C-13-H3C(O)CH3
  347316.3834  0.2774 -6.5960 3 1156.6784476  5951614045958 1 4    5957 2 4      C-13-H3C(O)CH3
  347327.0131  0.0063 -6.0771 3  175.5452424  595161404261313 1    261016 1      C-13-H3C(O)CH3
  347337.2755  0.0029 -3.4783 3   94.7141296 -5951614041816 2 1    1715 2 1      C-13-H3C(O)CH3
  347337.3269  0.0042 -3.8358 3   95.6874312  5951614041913 6 2    1812 7 2      C-13-H3C(O)CH3
  347348.3316  0.1880 -6.6486 3 1548.0193572  595161404716011 3    715912 3      C-13-H3C(O)CH3
  347350.7562  0.2075 -6.3476 3 1548.0540B44  595161404716011 1    715912 1      C-13-H3C(O)CH3
  347354.9097  0.0195 -5.8548 3  366.5818584  595161404362512 2    362215 2      C-13-H3C(O)CH3
  347357.0362  0.0159 -4.7571 3  748.0132920  595161404571741 1    571542 1      C-13-H3C(O)CH3
  347357.0362  0.0159 -5.8782 3  748.0132920  595161404571641 1    571542 1      C-13-H3C(O)CH3
  347357.0362  0.0159 -5.8782 3  748.0132920  595161404571741 1    571642 1      C-13-H3C(O)CH3
  347357.0362  0.0159 -4.7571 3  748.0132920  595161404571641 1    571642 1      C-13-H3C(O)CH3
  347357.7898  0.0162 -5.1194 3  748.0129920  595161404571641 2    571642 2      C-13-H3C(O)CH3
  347357.7898  0.0162 -4.9499 3  748.0129920  595161404571641 2    571542 2      C-13-H3C(O)CH3
  347357.7898  0.0162 -5.1194 3  748.0129920  595161404571741 2    571542 2      C-13-H3C(O)CH3
  347357.7898  0.0162 -4.9499 3  748.0129920  595161404571741 2    571642 2      C-13-H3C(O)CH3
  347387.5378  0.0029 -3.4781 3   94.7228296 -5951614041816 2 2    1715 2 2      C-13-H3C(O)CH3
  347391.4489  0.2004 -6.6485 3 1548.0123572  595161404716012 3    715913 3      C-13-H3C(O)CH3
  347393.2987  0.2764 -6.3475 3 1548.0630B44  595161404716011 0    715913 0      C-13-H3C(O)CH3
  347393.2987  0.2764 -6.3475 3 1548.0630B44  595161404716012 0    715912 0      C-13-H3C(O)CH3
  347415.2830  0.0060 -6.0748 3  175.5463424  595161404261313 0    261016 0      C-13-H3C(O)CH3
  347422.9941  0.1103 -6.3459 3 1530.7679620  595161404773543 4    773444 4      C-13-H3C(O)CH3
  347422.9941  0.1103 -6.3459 3 1530.7679620  595161404773443 4    773344 4      C-13-H3C(O)CH3
  347423.0412  0.1103 -6.3461 3 1530.7678620  595161404773543 3    773444 3      C-13-H3C(O)CH3
  347423.0412  0.1103 -6.3460 3 1530.7678620  595161404773443 3    773344 3      C-13-H3C(O)CH3
  347425.7952  0.0030 -3.4780 3   94.6360296 -5951614041816 3 1    1715 3 1      C-13-H3C(O)CH3
  347434.2449  0.2259 -6.3474 3 1548.0213B44  595161404716012 2    715913 2      C-13-H3C(O)CH3
  347434.9759  0.0030 -3.4780 3   94.6486296 -5951614041816 3 2    1715 3 2      C-13-H3C(O)CH3
  347440.4796  0.0161 -6.6840 3  747.9947460  595161404571641 3    571542 3      C-13-H3C(O)CH3
  347440.4796  0.0161 -6.6840 3  747.9947460  595161404571741 3    571642 3      C-13-H3C(O)CH3
  347440.4796  0.0161 -5.0358 3  747.9947460  595161404571641 3    571642 3      C-13-H3C(O)CH3
  347440.4796  0.0161 -5.0358 3  747.9947460  595161404571741 3    571542 3      C-13-H3C(O)CH3
  347440.5944  0.0162 -5.5093 3  747.9947460  595161404571641 4    571542 4      C-13-H3C(O)CH3
  347440.5944  0.0162 -5.1992 3  747.9947460  595161404571641 4    571642 4      C-13-H3C(O)CH3
  347440.5944  0.0162 -5.1992 3  747.9947460  595161404571741 4    571542 4      C-13-H3C(O)CH3
  347440.5944  0.0162 -5.5093 3  747.9947460  595161404571741 4    571642 4      C-13-H3C(O)CH3
  347446.3759  0.0045 -3.8496 3   95.6868312  5951614041913 6 1    1812 7 1      C-13-H3C(O)CH3
  347455.0432  0.1227 -6.0447 3 1530.7514C40  595161404773543 1    773444 1      C-13-H3C(O)CH3
  347455.0432  0.1227 -6.0448 3 1530.7514C40  595161404773443 1    773344 1      C-13-H3C(O)CH3
  347455.1752  0.2317 -5.9083 3  905.0629920  595161404573621 0    573324 0      C-13-H3C(O)CH3
  347456.6450  0.1163 -6.0450 3 1530.7544C40  595161404773543 2    773444 2      C-13-H3C(O)CH3
  347456.6450  0.1163 -6.0453 3 1530.7544C40  595161404773443 2    773344 2      C-13-H3C(O)CH3
  347479.7201  0.2109 -6.3474 3 1548.0274B44  595161404716012 1    715913 1      C-13-H3C(O)CH3
  347483.9375  0.2374 -6.5353 3 1129.0922936  5951614045858 1 1    5857 2 1      C-13-H3C(O)CH3
  347488.6268  0.1248 -6.0447 3 1530.7380C40  595161404773543 0    773444 0      C-13-H3C(O)CH3
  347488.6268  0.1248 -6.0447 3 1530.7380C40  595161404773443 0    773344 0      C-13-H3C(O)CH3
  347520.3946  0.2248 -6.6483 3 1547.9857572  595161404716012 4    715913 4      C-13-H3C(O)CH3
  347590.3917  0.2768 -6.5349 3 1129.0636936  5951614045858 1 0    5857 1 0      C-13-H3C(O)CH3
  347590.3917  0.2768 -6.5349 3 1129.0636936  5951614045858 0 0    5857 2 0      C-13-H3C(O)CH3
  347622.9622  0.0031 -3.4774 3   94.6885296 -5951614041816 3 0    1715 2 0      C-13-H3C(O)CH3
  347623.6817  0.0031 -3.4774 3   94.6884296 -5951614041816 2 0    1715 3 0      C-13-H3C(O)CH3
  347669.9114  0.0024 -3.6644 3   97.9457312 -5951614041914 6 0    1813 5 0      C-13-H3C(O)CH3
  347734.8430  0.0038 -4.7439 3   97.9692156  5951614041914 5 3    1813 5 3      C-13-H3C(O)CH3
  347743.0486  0.2433 -6.8362 3 1129.1384468  5951614045858 1 4    5857 2 4      C-13-H3C(O)CH3
  347772.9808  0.0079 -6.3788 3  175.5420212  595161404261413 4    261116 4      C-13-H3C(O)CH3
  347773.0846  0.0064 -6.3788 3  175.5420212  595161404261413 3    261116 3      C-13-H3C(O)CH3
  347798.0940  0.2619 -6.5348 3 1129.1255936  5951614045858 0 1    5857 1 1      C-13-H3C(O)CH3
  347818.1293  0.2409 -6.1476 3 1343.4802A48  5951614046559 6 0    6558 7 0      C-13-H3C(O)CH3
  347818.1293  0.2409 -6.1476 3 1343.4802A48  5951614046559 7 0    6558 8 0      C-13-H3C(O)CH3
  347826.0674  0.0782 -5.8503 3  839.4026888  595161404553421 2    553124 2      C-13-H3C(O)CH3
  347827.0287  0.0952 -5.8524 3  839.4097888  595161404553421 0    553124 0      C-13-H3C(O)CH3
  347838.1705  0.0728 -6.1492 3  839.3966444  595161404553421 3    553124 3      C-13-H3C(O)CH3
  347847.5642  0.0263 -6.6458 3  366.5610292  595161404362511 3    362215 3      C-13-H3C(O)CH3
  347848.9032  0.0093 -4.2234 3   95.6978156  5951614041913 6 4    1812 7 4      C-13-H3C(O)CH3
  347849.2054  0.2352 -6.5348 3 1129.1098936  5951614045858 1 2    5857 1 2      C-13-H3C(O)CH3
  347854.5631  0.0946 -5.8506 3  839.4038888  595161404553421 1    553124 1      C-13-H3C(O)CH3
  347866.5276  0.2071 -6.1475 3 1343.4839A48  5951614046559 6 2    6558 7 2      C-13-H3C(O)CH3
  347869.3569  0.1864 -6.1476 3 1343.4725A48  5951614046559 7 1    6558 8 1      C-13-H3C(O)CH3
  347877.5154  0.0062 -6.0758 3  175.5431424  595161404261413 2    261116 2      C-13-H3C(O)CH3
  347877.9499  0.0118 -5.7553 3  713.7796904  595161404561641 0    561542 0      C-13-H3C(O)CH3
  347877.9499  0.0118 -4.7171 3  713.7796904  595161404561641 0    561442 0      C-13-H3C(O)CH3
  347877.9499  0.0118 -4.7171 3  713.7796904  595161404561541 0    561542 0      C-13-H3C(O)CH3
  347877.9499  0.0118 -5.7553 3  713.7796904  595161404561541 0    561442 0      C-13-H3C(O)CH3
  347883.1420  0.0097 -5.9715 3   43.4025216  5951614041311 3 1    12 8 5 1      C-13-H3C(O)CH3
  347897.6819  0.2577 -6.8358 3 1129.1352468  5951614045858 1 3    5857 2 3      C-13-H3C(O)CH3
  347899.9631  0.0706 -6.1501 3  839.3967444  595161404553421 4    553124 4      C-13-H3C(O)CH3
  347915.9622  0.1937 -6.1475 3 1343.4971A48  5951614046559 6 1    6558 7 1      C-13-H3C(O)CH3
  347918.4444  0.1751 -6.4486 3 1343.4762524  5951614046559 7 3    6558 8 3      C-13-H3C(O)CH3
  347944.7191  0.0062 -6.0759 3  175.5452424  595161404261413 1    261116 1      C-13-H3C(O)CH3
  347956.0765  0.0144 -4.7101 3  713.7578904  595161404561641 1    561442 1      C-13-H3C(O)CH3
  347956.0765  0.0144 -5.8357 3  713.7578904  595161404561641 1    561542 1      C-13-H3C(O)CH3
  347956.0765  0.0144 -5.8357 3  713.7578904  595161404561541 1    561442 1      C-13-H3C(O)CH3
  347956.0765  0.0144 -4.7101 3  713.7578904  595161404561541 1    561542 1      C-13-H3C(O)CH3
  347956.4286  0.0144 -5.0193 3  713.7575904  595161404561541 2    561542 2      C-13-H3C(O)CH3
  347956.4286  0.0144 -4.9436 3  713.7575904  595161404561541 2    561442 2      C-13-H3C(O)CH3
  347956.4286  0.0144 -4.9436 3  713.7575904  595161404561641 2    561542 2      C-13-H3C(O)CH3
  347956.4286  0.0144 -5.0193 3  713.7575904  595161404561641 2    561442 2      C-13-H3C(O)CH3
  347964.6205  0.1977 -6.4485 3 1343.5007524  5951614046559 6 4    6558 7 4      C-13-H3C(O)CH3
  347980.1568  0.0026 -3.9876 3   98.0131156  5951614041914 5 4    1813 5 4      C-13-H3C(O)CH3
  347983.8681  0.0308 -6.5104 3  366.5609292  595161404362511 4    362215 4      C-13-H3C(O)CH3
  347985.4324  0.1919 -6.1474 3 1343.4642A48  5951614046559 7 2    6558 8 2      C-13-H3C(O)CH3
  348004.2417  0.2957 -6.5345 3 1129.1066936  5951614045858 0 2    5857 2 2      C-13-H3C(O)CH3
  348034.6586  0.0151 -6.1281 3  713.7357452  595161404561541 3    561442 3      C-13-H3C(O)CH3
  348034.6586  0.0151 -5.0115 3  713.7357452  595161404561541 3    561542 3      C-13-H3C(O)CH3
  348034.6586  0.0151 -6.1281 3  713.7357452  595161404561641 3    561542 3      C-13-H3C(O)CH3
  348034.6586  0.0151 -5.0115 3  713.7357452  595161404561641 3    561442 3      C-13-H3C(O)CH3
  348034.7398  0.0151 -4.9825 3  713.7356452  595161404561541 4    561542 4      C-13-H3C(O)CH3
  348034.7398  0.0151 -4.9825 3  713.7356452  595161404561641 4    561442 4      C-13-H3C(O)CH3
  348035.3466  0.0251 -6.2576 3  366.5818584  595161404362511 2    362215 2      C-13-H3C(O)CH3
  348036.5511  0.1943 -6.4484 3 1343.4565524  5951614046559 7 4    6558 8 4      C-13-H3C(O)CH3
  348049.0591  0.0060 -6.0736 3  175.5463424  595161404261413 0    261116 0      C-13-H3C(O)CH3
  348058.7619  0.2368 -6.8357 3 1129.1718468  5951614045858 0 3    5857 1 3      C-13-H3C(O)CH3
  348076.3418  0.0365 -5.3790 3 1151.3093A96  595161404682642 0    682643 0      C-13-H3C(O)CH3
  348076.3418  0.0365 -5.3790 3 1151.3093A96  595161404682742 0    682543 0      C-13-H3C(O)CH3
  348083.6443  0.1817 -6.4484 3 1343.4811524  5951614046559 6 3    6558 7 3      C-13-H3C(O)CH3
  348093.5421  0.0384 -5.5926 3 1151.3259A96  595161404682642 1    682643 1      C-13-H3C(O)CH3
  348093.5421  0.0384 -5.7552 3 1151.3259A96  595161404682642 1    682543 1      C-13-H3C(O)CH3
  348093.5421  0.0384 -5.5926 3 1151.3259A96  595161404682742 1    682543 1      C-13-H3C(O)CH3
  348093.5421  0.0384 -5.7552 3 1151.3259A96  595161404682742 1    682643 1      C-13-H3C(O)CH3
  348098.2989  0.0442 -5.5073 3 1151.3271A96  595161404682642 2    682643 2      C-13-H3C(O)CH3
  348098.2989  0.0442 -5.9199 3 1151.3271A96  595161404682642 2    682543 2      C-13-H3C(O)CH3
  348098.2989  0.0442 -5.5073 3 1151.3271A96  595161404682742 2    682543 2      C-13-H3C(O)CH3
  348098.2989  0.0442 -5.9199 3 1151.3271A96  595161404682742 2    682643 2      C-13-H3C(O)CH3
  348098.9466  0.0161 -5.3388 3  381.1378584  5951614043628 9 0    3529 6 0      C-13-H3C(O)CH3
  348099.0966  0.0161 -5.3388 3  381.1378584  5951614043628 8 0    3529 7 0      C-13-H3C(O)CH3
  348102.3621  0.0030 -3.9894 3   97.8844156  5951614041914 6 4    1813 6 4      C-13-H3C(O)CH3
  348115.5615  0.0422 -6.4101 3 1151.3437548  595161404682742 3    682643 3      C-13-H3C(O)CH3
  348115.5615  0.0422 -6.4101 3 1151.3437548  595161404682642 3    682543 3      C-13-H3C(O)CH3
  348115.5615  0.0422 -5.7527 3 1151.3437548  595161404682642 3    682643 3      C-13-H3C(O)CH3
  348115.5615  0.0422 -5.7527 3 1151.3437548  595161404682742 3    682543 3      C-13-H3C(O)CH3
  348115.6412  0.0423 -5.6893 3 1151.3437548  595161404682742 4    682643 4      C-13-H3C(O)CH3
  348115.6412  0.0423 -5.6893 3 1151.3437548  595161404682642 4    682543 4      C-13-H3C(O)CH3
  348116.8686  0.0026 -3.7307 3   97.9749312 -5951614041914 5 1    1813 5 1      C-13-H3C(O)CH3
  348150.6552  0.0029 -3.7520 3   97.9730312 -5951614041914 5 2    1813 5 2      C-13-H3C(O)CH3
  348159.3200  0.0103 -5.9813 3   43.4026216  5951614041311 3 2    12 8 5 2      C-13-H3C(O)CH3
  348215.1585  0.3051 -6.8354 3 1129.1685468  5951614045858 0 4    5857 1 4      C-13-H3C(O)CH3
  348245.4964  0.0165 -5.3391 3  381.1061584  5951614043628 8 1    3529 6 1      C-13-H3C(O)CH3
  348308.6440  0.2146 -5.9111 3  905.0499920  595161404573621 1    573324 1      C-13-H3C(O)CH3
  348318.6629  0.0024 -3.9091 3  202.9657276 -59516140434 332 4    33 231 4      C-13-H3C(O)CH3
  348318.6629  0.0025 -4.9241 3  202.9656276  59516140434 332 3    33 331 3      C-13-H3C(O)CH3
  348318.6629  0.0024 -3.9091 3  202.9657276 -59516140434 232 4    33 331 4      C-13-H3C(O)CH3
  348318.6629  0.0025 -3.6714 3  202.9656276  59516140434 232 3    33 331 3      C-13-H3C(O)CH3
  348318.6629  0.0025 -3.6714 3  202.9656276 -59516140434 332 3    33 231 3      C-13-H3C(O)CH3
  348318.6629  0.0025 -4.9241 3  202.9656276 -59516140434 232 3    33 231 3      C-13-H3C(O)CH3
  348318.6842  0.0024 -3.9925 3  202.9657276  59516140434 332 4    33 331 4      C-13-H3C(O)CH3
  348318.6842  0.0024 -3.9925 3  202.9657276  59516140434 232 4    33 231 4      C-13-H3C(O)CH3
  348324.8049  0.0156 -5.3375 3  381.1072584  5951614043628 9 2    3529 7 2      C-13-H3C(O)CH3
  348338.4468  0.2857 -5.9114 3  905.0496920  595161404573621 2    573324 2      C-13-H3C(O)CH3
  348345.3545  0.0039 -4.7423 3   97.9285156  5951614041914 6 3    1813 6 3      C-13-H3C(O)CH3
  348349.1791  0.0112 -6.4094 3   43.4489108  5951614041311 3 3    12 8 5 3      C-13-H3C(O)CH3
  348349.3303  0.0026 -3.5276 3  202.9279552  59516140434 332 1    33 231 1      C-13-H3C(O)CH3
  348349.3303  0.0026 -3.8142 3  202.9279552  59516140434 232 1    33 231 1      C-13-H3C(O)CH3
  348349.3780  0.0026 -3.5276 3  202.9279552 -59516140434 232 1    33 331 1      C-13-H3C(O)CH3
  348349.3780  0.0026 -3.4656 3  202.9274552 -59516140434 232 2    33 231 2      C-13-H3C(O)CH3
  348349.3780  0.0026 -3.8142 3  202.9279552 -59516140434 332 1    33 331 1      C-13-H3C(O)CH3
  348349.3780  0.0026 -3.4656 3  202.9274552 -59516140434 332 2    33 331 2      C-13-H3C(O)CH3
  348349.4476  0.0026 -3.9672 3  202.9274552  59516140434 232 2    33 331 2      C-13-H3C(O)CH3
  348349.4476  0.0026 -3.9672 3  202.9274552  59516140434 332 2    33 231 2      C-13-H3C(O)CH3
  348353.0574  0.0028 -3.7313 3   97.8980312 -5951614041914 6 1    1813 6 1      C-13-H3C(O)CH3
  348380.0442  0.0022 -3.3770 3  202.8897552 -59516140434 232 0    33 231 0      C-13-H3C(O)CH3
  348380.0442  0.0022 -4.5151 3  202.8897552 -59516140434 232 0    33 331 0      C-13-H3C(O)CH3
  348380.0442  0.0022 -4.5151 3  202.8897552 -59516140434 332 0    33 231 0      C-13-H3C(O)CH3
  348380.0442  0.0022 -3.3770 3  202.8897552 -59516140434 332 0    33 331 0      C-13-H3C(O)CH3
  348392.9079  0.2357 -6.8645 3 1698.1450604  595161404756114 4    756015 4      C-13-H3C(O)CH3
  348400.9572  0.0163 -5.3381 3  381.0883584  5951614043628 9 1    3529 7 1      C-13-H3C(O)CH3
  348419.5053  0.0028 -3.7527 3   97.9055312 -5951614041914 6 2    1813 6 2      C-13-H3C(O)CH3
  348449.4851  0.0163 -5.3381 3  381.1149584  5951614043628 8 2    3529 6 2      C-13-H3C(O)CH3
  348456.8245  0.0104 -4.8581 3  680.1097888  595161404551541 0    551442 0      C-13-H3C(O)CH3
  348456.8245  0.0104 -5.0322 3  680.1097888  595161404551441 0    551442 0      C-13-H3C(O)CH3
  348456.8245  0.0104 -4.8581 3  680.1097888  595161404551441 0    551342 0      C-13-H3C(O)CH3
  348456.8245  0.0104 -5.0322 3  680.1097888  595161404551541 0    551342 0      C-13-H3C(O)CH3
  348468.2452  0.0176 -5.6389 3  381.0755292  5951614043628 8 3    3529 6 3      C-13-H3C(O)CH3
  348515.0314  0.2676 -6.5633 3 1698.1648C08  595161404756114 2    756015 2      C-13-H3C(O)CH3
  348526.6790  0.0131 -4.9981 3  680.0847888  595161404551541 1    551442 1      C-13-H3C(O)CH3
  348526.6790  0.0131 -4.8821 3  680.0847888  595161404551541 1    551342 1      C-13-H3C(O)CH3
  348526.6790  0.0131 -4.8821 3  680.0847888  595161404551441 1    551442 1      C-13-H3C(O)CH3
  348526.6790  0.0131 -4.9981 3  680.0847888  595161404551441 1    551342 1      C-13-H3C(O)CH3
  348526.6817  0.0130 -5.6160 3  680.0843888  595161404551441 2    551342 2      C-13-H3C(O)CH3
  348526.6817  0.0130 -5.6160 3  680.0843888  595161404551541 2    551442 2      C-13-H3C(O)CH3
  348526.6817  0.0130 -4.6831 3  680.0843888  595161404551541 2    551342 2      C-13-H3C(O)CH3
  348526.6817  0.0130 -4.6831 3  680.0843888  595161404551441 2    551442 2      C-13-H3C(O)CH3
  348549.9876  0.2540 -6.8642 3 1698.1113604  595161404756115 3    756016 3      C-13-H3C(O)CH3
  348560.9037  0.2435 -6.5632 3 1698.1579C08  595161404756114 1    756015 1      C-13-H3C(O)CH3
  348564.5681  0.0106 -6.2623 3   43.4489108  5951614041311 2 3    12 8 5 3      C-13-H3C(O)CH3
  348589.9952  0.2671 -6.8641 3 1698.1172604  595161404756114 3    756015 3      C-13-H3C(O)CH3
  348593.3614  0.0192 -5.6395 3  381.0833292  5951614043628 8 4    3529 6 4      C-13-H3C(O)CH3
  348596.6301  0.0142 -4.9370 3  680.0593444  595161404551441 3    551342 3      C-13-H3C(O)CH3
  348596.6301  0.0142 -4.9370 3  680.0593444  595161404551541 3    551442 3      C-13-H3C(O)CH3
  348596.6676  0.0142 -6.1993 3  680.0592444  595161404551441 4    551342 4      C-13-H3C(O)CH3
  348596.6676  0.0142 -4.9603 3  680.0592444  595161404551541 4    551342 4      C-13-H3C(O)CH3
  348596.6676  0.0142 -4.9603 3  680.0592444  595161404551441 4    551442 4      C-13-H3C(O)CH3
  348596.6676  0.0142 -6.1993 3  680.0592444  595161404551541 4    551442 4      C-13-H3C(O)CH3
  348624.7140  0.0184 -5.6379 3  381.0575292  5951614043628 9 4    3529 7 4      C-13-H3C(O)CH3
  348646.1481  0.0041 -5.0239 3   49.3145124  59516140415 6 9 3    14 510 3      C-13-H3C(O)CH3
  348647.2000  0.0055 -5.0239 3   49.3145124  59516140415 6 9 4    14 510 4      C-13-H3C(O)CH3
  348666.7518  0.2019 -6.8552 3 1805.1879668  595161404833944 4    833845 4      C-13-H3C(O)CH3
  348666.7520  0.2019 -6.8552 3 1805.1879668  595161404834044 4    833945 4      C-13-H3C(O)CH3
  348666.8298  0.2019 -6.8552 3 1805.1879668  595161404833944 3    833845 3      C-13-H3C(O)CH3
  348666.8300  0.2019 -6.8552 3 1805.1879668  595161404834044 3    833945 3      C-13-H3C(O)CH3
  348672.0484  0.2681 -6.5629 3 1698.1311C08  595161404756115 2    756016 2      C-13-H3C(O)CH3
  348682.7378  0.3008 -6.5630 3 1698.1778C08  595161404756115 0    756016 0      C-13-H3C(O)CH3
  348682.7378  0.3008 -6.5630 3 1698.1778C08  595161404756114 0    756015 0      C-13-H3C(O)CH3
  348688.8525  0.1743 -6.6123 3 1514.6325564  595161404706010 4    705911 4      C-13-H3C(O)CH3
  348698.3555  0.2168 -6.5548 3 1805.1866D36  595161404833944 2    833845 2      C-13-H3C(O)CH3
  348698.3556  0.2168 -6.5548 3 1805.1866D36  595161404834044 2    833945 2      C-13-H3C(O)CH3
  348700.1154  0.2149 -6.3112 3 1514.6384B28  595161404706010 2    705911 2      C-13-H3C(O)CH3
  348701.4240  0.2355 -6.5541 3 1805.1837D36  595161404833944 1    833845 1      C-13-H3C(O)CH3
  348701.4242  0.2355 -6.5541 3 1805.1837D36  595161404834044 1    833945 1      C-13-H3C(O)CH3
  348726.0547  0.0041 -5.0238 3   49.3145124  59516140415 7 9 3    14 410 3      C-13-H3C(O)CH3
  348726.2540  0.0055 -5.0238 3   49.3145124  59516140415 7 9 4    14 410 4      C-13-H3C(O)CH3
  348732.8767  0.2382 -6.5541 3 1805.1825D36  595161404833944 0    833845 0      C-13-H3C(O)CH3
  348732.8769  0.2382 -6.5541 3 1805.1825D36  595161404834044 0    833945 0      C-13-H3C(O)CH3
  348746.8034  0.2916 -6.8638 3 1698.0836604  595161404756115 4    756016 4      C-13-H3C(O)CH3
  348748.1903  0.0171 -5.6385 3  381.0654292  5951614043628 9 3    3529 7 3      C-13-H3C(O)CH3
  348757.7368  0.2585 -6.5628 3 1698.1302C08  595161404756115 1    756016 1      C-13-H3C(O)CH3
  348785.8121  0.0982 -6.2599 3 1485.0338612  595161404763443 4    763344 4      C-13-H3C(O)CH3
  348785.8121  0.0982 -6.2599 3 1485.0338612  595161404763343 4    763244 4      C-13-H3C(O)CH3
  348785.8488  0.0982 -6.2707 3 1485.0337612  595161404763443 3    763344 3      C-13-H3C(O)CH3
  348785.8488  0.0982 -6.2831 3 1485.0337612  595161404763343 3    763244 3      C-13-H3C(O)CH3
  348788.7683  0.1779 -6.6121 3 1514.6073564  595161404706010 3    705911 3      C-13-H3C(O)CH3
  348793.0239  0.2078 -6.3111 3 1514.6402B28  595161404706010 1    705911 1      C-13-H3C(O)CH3
  348803.8679  0.2794 -6.3110 3 1514.6461B28  595161404706010 0    705911 0      C-13-H3C(O)CH3
  348803.8679  0.2794 -6.3110 3 1514.6461B28  595161404706011 0    705912 0      C-13-H3C(O)CH3
  348814.6668  0.1066 -5.9589 3 1485.0157C24  595161404763443 1    763344 1      C-13-H3C(O)CH3
  348814.6668  0.1066 -5.9613 3 1485.0157C24  595161404763343 1    763244 1      C-13-H3C(O)CH3
  348816.9870  0.1024 -5.9596 3 1485.0185C24  595161404763443 2    763344 2      C-13-H3C(O)CH3
  348816.9870  0.1024 -5.9602 3 1485.0185C24  595161404763343 2    763244 2      C-13-H3C(O)CH3
  348845.7957  0.1085 -5.9596 3 1485.0005C24  595161404763443 0    763244 0      C-13-H3C(O)CH3
  348845.7957  0.1085 -5.9596 3 1485.0005C24  595161404763343 0    763344 0      C-13-H3C(O)CH3
  348861.1091  0.1945 -6.6120 3 1514.6013564  595161404706011 3    705912 3      C-13-H3C(O)CH3
  348872.1488  0.2221 -6.3109 3 1514.6072B28  595161404706011 2    705912 2      C-13-H3C(O)CH3
  348892.2709  0.2078 -6.3109 3 1514.6149B28  595161404706011 1    705912 1      C-13-H3C(O)CH3
  348894.5275  0.2449 -6.1467 3 1313.0242A32  5951614046459 5 0    6458 7 0      C-13-H3C(O)CH3
  348894.5275  0.2449 -6.1467 3 1313.0242A32  5951614046459 6 0    6458 6 0      C-13-H3C(O)CH3
  348909.8513  0.0048 -4.7217 3   49.2646248  59516140415 6 9 2    14 510 2      C-13-H3C(O)CH3
  348925.9867  0.1939 -6.1468 3 1313.0221A32  5951614046459 6 1    6458 7 1      C-13-H3C(O)CH3
  348931.2741  0.0046 -4.7218 3   49.2655248  59516140415 6 9 1    14 510 1      C-13-H3C(O)CH3
  348935.3238  0.0017 -4.0707 3  160.0257204 -595161404251213 3    241312 3      C-13-H3C(O)CH3
  348936.7228  0.0018 -4.0707 3  160.0257204 -595161404251213 4    241312 4      C-13-H3C(O)CH3
  348953.0178  0.0086 -4.0447 3   97.9285156  5951614041914 5 3    1813 6 3      C-13-H3C(O)CH3
  348960.2923  0.2136 -6.6118 3 1514.5761564  595161404706011 4    705912 4      C-13-H3C(O)CH3
  348992.6817  0.0047 -4.7215 3   49.2646248  59516140415 7 9 2    14 410 2      C-13-H3C(O)CH3
  348997.3875  0.2180 -6.1466 3 1313.0318A32  5951614046459 5 2    6458 6 2      C-13-H3C(O)CH3
  349012.0325  0.0046 -4.7217 3   49.2655248  59516140415 7 9 1    14 410 1      C-13-H3C(O)CH3
  349013.0562  0.0092 -5.1726 3  647.0223872  595161404541441 0    541242 0      C-13-H3C(O)CH3
  349013.0562  0.0092 -5.1726 3  647.0223872  595161404541341 0    541342 0      C-13-H3C(O)CH3
  349013.2326  0.0092 -4.7287 3  647.0223872 -595161404541441 0    541342 0      C-13-H3C(O)CH3
  349013.2326  0.0092 -4.7287 3  647.0223872 -595161404541341 0    541242 0      C-13-H3C(O)CH3
  349015.9604  0.2018 -6.1467 3 1313.0474A32  5951614046459 5 1    6458 6 1      C-13-H3C(O)CH3
  349020.8485  0.0326 -5.9942 3 1110.6930A80  595161404672642 0    672443 0      C-13-H3C(O)CH3
  349020.8485  0.0326 -5.3913 3 1110.6930A80  595161404672642 0    672543 0      C-13-H3C(O)CH3
  349020.8485  0.0326 -5.3913 3 1110.6930A80  595161404672542 0    672443 0      C-13-H3C(O)CH3
  349020.8485  0.0326 -5.9942 3 1110.6930A80  595161404672542 0    672543 0      C-13-H3C(O)CH3
  349025.9809  0.0019 -3.7697 3  160.0276408 -595161404251213 1    241312 1      C-13-H3C(O)CH3
  349027.5132  0.0019 -3.7702 3  160.0235408 -595161404251213 2    241312 2      C-13-H3C(O)CH3
  349029.5713  0.1870 -6.4477 3 1313.0296516  5951614046459 6 3    6458 7 3      C-13-H3C(O)CH3
  349047.5892  0.0353 -5.7073 3 1110.7079A80  595161404672642 1    672443 1      C-13-H3C(O)CH3
  349047.5892  0.0353 -5.5067 3 1110.7079A80  595161404672542 1    672443 1      C-13-H3C(O)CH3
  349047.5892  0.0353 -5.7073 3 1110.7079A80  595161404672542 1    672543 1      C-13-H3C(O)CH3
  349047.5892  0.0353 -5.5067 3 1110.7079A80  595161404672642 1    672543 1      C-13-H3C(O)CH3
  349052.2177  0.0410 -5.3181 3 1110.7089A80  595161404672542 2    672543 2      C-13-H3C(O)CH3
  349052.2177  0.0410 -5.3181 3 1110.7089A80  595161404672642 2    672443 2      C-13-H3C(O)CH3
  349052.2177  0.0410 -6.5707 3 1110.7089A80  595161404672542 2    672443 2      C-13-H3C(O)CH3
  349052.2177  0.0410 -6.5707 3 1110.7089A80  595161404672642 2    672543 2      C-13-H3C(O)CH3
  349069.9935  0.0119 -4.7341 3  646.9943872  595161404541441 2    541342 2      C-13-H3C(O)CH3
  349069.9935  0.0119 -4.7341 3  646.9943872  595161404541341 2    541242 2      C-13-H3C(O)CH3
  349069.9935  0.0119 -5.1571 3  646.9943872  595161404541341 2    541342 2      C-13-H3C(O)CH3
  349069.9935  0.0119 -5.1571 3  646.9943872  595161404541441 2    541242 2      C-13-H3C(O)CH3
  349070.2801  0.0121 -5.2121 3  646.9947872  595161404541341 1    541242 1      C-13-H3C(O)CH3
  349070.2801  0.0121 -4.7150 3  646.9947872  595161404541441 1    541242 1      C-13-H3C(O)CH3
  349070.2801  0.0121 -5.2121 3  646.9947872  595161404541441 1    541342 1      C-13-H3C(O)CH3
  349070.2801  0.0121 -4.7150 3  646.9947872  595161404541341 1    541342 1      C-13-H3C(O)CH3
  349077.6580  0.3017 -6.8141 3 1856.2315C72  595161404796217 1    796118 1      C-13-H3C(O)CH3
  349079.0288  0.0380 -6.3252 3 1110.7237540  595161404672542 3    672443 3      C-13-H3C(O)CH3
  349079.0288  0.0380 -5.6850 3 1110.7237540  595161404672642 3    672443 3      C-13-H3C(O)CH3
  349079.0288  0.0380 -5.6850 3 1110.7237540  595161404672542 3    672543 3      C-13-H3C(O)CH3
  349079.0288  0.0380 -6.3252 3 1110.7237540  595161404672642 3    672543 3      C-13-H3C(O)CH3
  349079.1268  0.0381 -5.6538 3 1110.7238540  595161404672542 4    672543 4      C-13-H3C(O)CH3
  349079.1268  0.0381 -6.4956 3 1110.7238540  595161404672542 4    672443 4      C-13-H3C(O)CH3
  349079.1268  0.0381 -5.6538 3 1110.7238540  595161404672642 4    672443 4      C-13-H3C(O)CH3
  349079.1268  0.0381 -6.4956 3 1110.7238540  595161404672642 4    672543 4      C-13-H3C(O)CH3
  349085.4067  0.1975 -6.1465 3 1313.0160A32  5951614046459 6 2    6458 7 2      C-13-H3C(O)CH3
  349104.7456  0.3566 -6.8141 3 1856.2395C72  595161404796217 2    796118 2      C-13-H3C(O)CH3
  349116.7532  0.2030 -6.4476 3 1313.0138516  5951614046459 6 4    6458 7 4      C-13-H3C(O)CH3
  349117.4872  0.0018 -3.7702 3  160.0254408 -595161404251213 0    241312 0      C-13-H3C(O)CH3
  349119.4364  0.2135 -6.4476 3 1313.0548516  5951614046459 5 4    6458 6 4      C-13-H3C(O)CH3
  349127.2808  0.0133 -4.9014 3  646.9666436  595161404541341 4    541242 4      C-13-H3C(O)CH3
  349127.2808  0.0133 -6.0301 3  646.9666436  595161404541341 4    541342 4      C-13-H3C(O)CH3
  349127.2808  0.0133 -4.9289 3  646.9666436  595161404541441 4    541342 4      C-13-H3C(O)CH3
  349127.2808  0.0133 -6.7847 3  646.9666436  595161404541441 4    541242 4      C-13-H3C(O)CH3
  349127.2969  0.0133 -4.9086 3  646.9667436  595161404541441 3    541242 3      C-13-H3C(O)CH3
  349127.2969  0.0133 -6.4327 3  646.9667436  595161404541441 3    541342 3      C-13-H3C(O)CH3
  349127.2969  0.0133 -4.9086 3  646.9667436  595161404541341 3    541342 3      C-13-H3C(O)CH3
  349127.2969  0.0133 -6.4327 3  646.9667436  595161404541341 3    541242 3      C-13-H3C(O)CH3
  349128.9249  0.2261 -6.2122 3  905.0363460  595161404573621 3    573324 3      C-13-H3C(O)CH3
  349194.0145  0.0048 -4.7206 3   49.2158248  59516140415 6 9 0    14 510 0      C-13-H3C(O)CH3
  349207.4072  0.1904 -6.4475 3 1313.0391516  5951614046459 5 3    6458 6 3      C-13-H3C(O)CH3
  349210.0821  0.0139 -5.4036 3  347.2599584  595161404362017 1    352114 1      C-13-H3C(O)CH3
  349231.3734  0.3137 -6.8138 3 1856.2120C72  595161404796218 2    796119 2      C-13-H3C(O)CH3
  349265.5420  0.3087 -6.8138 3 1856.2570C72  595161404796217 0    796118 0      C-13-H3C(O)CH3
  349265.5420  0.3087 -6.8138 3 1856.2570C72  595161404796218 0    796119 0      C-13-H3C(O)CH3
  349278.1094  0.0047 -4.7205 3   49.2157248  59516140415 7 9 0    14 410 0      C-13-H3C(O)CH3
  349278.1710  0.0017 -3.9828 3  168.1065212 -595161404261115 3    251214 3      C-13-H3C(O)CH3
  349278.1710  0.0018 -3.9828 3  168.1065212 -595161404261115 4    251214 4      C-13-H3C(O)CH3
  349282.8072  0.2726 -6.2184 3  905.0365460  595161404573621 4    573324 4      C-13-H3C(O)CH3
  349286.0713  0.0023 -3.6616 3   97.9081312 -5951614041914 5 0    1813 6 0      C-13-H3C(O)CH3
  349302.3746  0.0018 -3.9827 3  168.1059212 -595161404261215 4    251114 4      C-13-H3C(O)CH3
  349302.7229  0.0017 -3.9827 3  168.1058212 -595161404261215 3    251114 3      C-13-H3C(O)CH3
  349309.7333  0.3249 -6.8136 3 1856.2035C72  595161404796218 1    796119 1      C-13-H3C(O)CH3
  349345.8303  0.0172 -5.7015 3  347.2271292  595161404362017 3    352114 3      C-13-H3C(O)CH3
  349350.2344  0.0178 -5.7014 3  347.2269292  595161404362017 4    352114 4      C-13-H3C(O)CH3
  349356.4142  0.0020 -3.6817 3  168.1096424 -595161404261115 1    251214 1      C-13-H3C(O)CH3
  349363.6732  0.0019 -3.6819 3  168.1067424 -595161404261115 2    251214 2      C-13-H3C(O)CH3
  349380.6843  0.0020 -3.6817 3  168.1090424 -595161404261215 1    251114 1      C-13-H3C(O)CH3
  349388.8286  0.0019 -3.6819 3  168.1060424 -595161404261215 2    251114 2      C-13-H3C(O)CH3
  349422.9660  0.0030 -5.3536 3  205.3553284  59516140435 234 3    34 233 3      C-13-H3C(O)CH3
  349422.9660  0.0030 -5.3536 3  205.3553284  59516140435 134 3    34 133 3      C-13-H3C(O)CH3
  349422.9678  0.0029 -3.9978 3  205.3554284 -59516140435 234 4    34 133 4      C-13-H3C(O)CH3
  349422.9678  0.0030 -3.6281 3  205.3553284 -59516140435 234 3    34 133 3      C-13-H3C(O)CH3
  349422.9678  0.0030 -3.6281 3  205.3553284 -59516140435 134 3    34 233 3      C-13-H3C(O)CH3
  349422.9678  0.0029 -3.9978 3  205.3554284 -59516140435 134 4    34 233 4      C-13-H3C(O)CH3
  349422.9840  0.0029 -3.8559 3  205.3554284  59516140435 234 4    34 233 4      C-13-H3C(O)CH3
  349422.9840  0.0029 -3.8559 3  205.3554284  59516140435 134 4    34 133 4      C-13-H3C(O)CH3
  349427.0677  0.0122 -5.4010 3  347.2755584  595161404362017 0    352114 0      C-13-H3C(O)CH3
  349441.5660  0.0018 -3.6819 3  168.1098424 -595161404261115 0    251214 0      C-13-H3C(O)CH3
  349442.7116  0.0032 -3.3190 3  205.3041568  59516140435 234 1    34 233 1      C-13-H3C(O)CH3
  349442.7873  0.0031 -3.3508 3  205.3037568 -59516140435 134 2    34 233 2      C-13-H3C(O)CH3
  349442.7873  0.0032 -3.3190 3  205.3041568 -59516140435 134 1    34 133 1      C-13-H3C(O)CH3
  349442.7873  0.0031 -4.4691 3  205.3037568 -59516140435 234 2    34 233 2      C-13-H3C(O)CH3
  349442.8052  0.0031 -4.4691 3  205.3037568  59516140435 134 2    34 133 2      C-13-H3C(O)CH3
  349442.8052  0.0031 -3.3508 3  205.3037568  59516140435 234 2    34 133 2      C-13-H3C(O)CH3
  349462.4269  0.0281 -6.5719 3  295.4481260  5951614043224 9 4    322111 4      C-13-H3C(O)CH3
  349462.4664  0.0027 -3.5799 3  205.2527568 -59516140435 234 0    34 133 0      C-13-H3C(O)CH3
  349462.4664  0.0027 -3.5799 3  205.2527568 -59516140435 134 0    34 233 0      C-13-H3C(O)CH3
  349462.4949  0.0027 -3.6637 3  205.2527568  59516140435 134 0    34 133 0      C-13-H3C(O)CH3
  349462.4949  0.0027 -3.6637 3  205.2527568  59516140435 234 0    34 233 0      C-13-H3C(O)CH3
  349466.5656  0.0018 -3.6818 3  168.1091424 -595161404261215 0    251114 0      C-13-H3C(O)CH3
  349519.9788  0.0257 -6.6072 3  295.4487260  5951614043224 9 3    322111 3      C-13-H3C(O)CH3
  349538.1639  0.0182 -6.2860 3  295.4696520  5951614043224 9 1    322111 1      C-13-H3C(O)CH3
  349548.5813  0.0084 -4.5664 3  614.5182856  595161404531341 0    531142 0      C-13-H3C(O)CH3
  349548.5813  0.0084 -4.5664 3  614.5182856  595161404531241 0    531242 0      C-13-H3C(O)CH3
  349548.5813  0.0084 -6.3161 3  614.5182856  595161404531241 0    531142 0      C-13-H3C(O)CH3
  349548.5813  0.0084 -6.3161 3  614.5182856  595161404531341 0    531242 0      C-13-H3C(O)CH3
  349569.2091  0.0153 -5.3978 3  347.2425584  595161404362017 2    352114 2      C-13-H3C(O)CH3
  349587.7537  0.0112 -5.4565 3  614.4884856  595161404531341 2    531142 2      C-13-H3C(O)CH3
  349587.7537  0.0112 -4.6173 3  614.4884856  595161404531341 2    531242 2      C-13-H3C(O)CH3
  349587.7537  0.0112 -5.4565 3  614.4884856  595161404531241 2    531242 2      C-13-H3C(O)CH3
  349587.7537  0.0112 -4.6173 3  614.4884856  595161404531241 2    531142 2      C-13-H3C(O)CH3
  349588.2641  0.0115 -4.8939 3  614.4889856  595161404531341 1    531142 1      C-13-H3C(O)CH3
  349588.2641  0.0115 -4.8278 3  614.4889856  595161404531341 1    531242 1      C-13-H3C(O)CH3
  349588.2641  0.0115 -4.8278 3  614.4889856  595161404531241 1    531142 1      C-13-H3C(O)CH3
  349588.2641  0.0115 -4.8939 3  614.4889856  595161404531241 1    531242 1      C-13-H3C(O)CH3
  349627.4165  0.0124 -4.9270 3  614.4590428  595161404531341 4    531242 4      C-13-H3C(O)CH3
  349627.4165  0.0124 -5.7006 3  614.4590428  595161404531341 4    531142 4      C-13-H3C(O)CH3
  349627.4165  0.0124 -4.9270 3  614.4590428  595161404531241 4    531142 4      C-13-H3C(O)CH3
  349627.4165  0.0124 -5.7006 3  614.4590428  595161404531241 4    531242 4      C-13-H3C(O)CH3
  349627.4951  0.0124 -4.8701 3  614.4590428  595161404531341 3    531242 3      C-13-H3C(O)CH3
  349627.4951  0.0124 -6.4735 3  614.4590428  595161404531341 3    531142 3      C-13-H3C(O)CH3
  349627.4951  0.0124 -4.8701 3  614.4590428  595161404531241 3    531142 3      C-13-H3C(O)CH3
  349627.4951  0.0124 -6.4735 3  614.4590428  595161404531241 3    531242 3      C-13-H3C(O)CH3
  349628.1477  0.0477 -6.7658 3  565.7009680  5951614044239 3 1    4140 1 1      C-13-H3C(O)CH3
  349732.8369  0.0154 -5.1921 3  264.5328252  595161404312012 4    3021 9 4      C-13-H3C(O)CH3
  349738.5806  0.0077 -5.7306 3   43.3594216  5951614041311 2 0    12 8 5 0      C-13-H3C(O)CH3
  349757.1756  0.0245 -6.4917 3  295.4487260  5951614043224 8 3    322111 3      C-13-H3C(O)CH3
  349770.1948  0.0069 -4.1924 3   82.8666296  5951614041811 7 2    1710 8 2      C-13-H3C(O)CH3
  349780.6101  0.0076 -6.6204 3  156.7628392  5951614042416 8 2    241113 2      C-13-H3C(O)CH3
  349784.9220  0.0081 -4.7629 3  264.5510504  595161404312012 2    3021 9 2      C-13-H3C(O)CH3
  349793.6360  0.0076 -6.6247 3  156.7661392  5951614042416 8 1    241113 1      C-13-H3C(O)CH3
  349816.7032  0.0065 -4.1905 3   82.8407296  5951614041811 7 0    1710 8 0      C-13-H3C(O)CH3
  349820.5572  0.0492 -6.7662 3  565.6711680  5951614044239 3 2    4140 1 2      C-13-H3C(O)CH3
  349820.6366  0.0018 -3.9200 3  175.5420220 -595161404271017 3    261116 3      C-13-H3C(O)CH3
  349820.6366  0.0019 -3.9200 3  175.5420220 -595161404271017 4    261116 4      C-13-H3C(O)CH3
  349820.9844  0.0019 -3.9200 3  175.5420220 -595161404271117 4    261016 4      C-13-H3C(O)CH3
  349820.9844  0.0018 -3.9200 3  175.5420220 -595161404271117 3    261016 3      C-13-H3C(O)CH3
  349828.3467  0.0063 -4.7397 3  264.5700504  595161404312012 0    3021 9 0      C-13-H3C(O)CH3
  349847.7430  0.0154 -6.0174 3  453.6419332  595161404412219 3    402516 3      C-13-H3C(O)CH3
  349853.1907  0.0175 -6.2054 3  295.4696520  5951614043224 8 1    322111 1      C-13-H3C(O)CH3
  349854.3524  0.0099 -4.8576 3  264.5493504  595161404312012 1    3021 9 1      C-13-H3C(O)CH3
  349855.0032  0.0257 -6.5209 3  295.4481260  5951614043224 8 4    322111 4      C-13-H3C(O)CH3
  349875.7192  0.0149 -6.0176 3  453.6409332  595161404412219 4    402516 4      C-13-H3C(O)CH3
  349881.1909  0.0073 -4.4965 3   82.8953148  5951614041811 7 3    1710 8 3      C-13-H3C(O)CH3
  349890.7961  0.0077 -6.6131 3  156.7631392  5951614042416 8 0    241113 0      C-13-H3C(O)CH3
  349891.1270  0.0021 -3.6190 3  175.5452440 -595161404271017 1    261116 1      C-13-H3C(O)CH3
  349891.1270  0.0021 -3.6190 3  175.5452440 -595161404271117 1    261016 1      C-13-H3C(O)CH3
  349895.2029  0.0021 -3.6191 3  175.5431440 -595161404271017 2    261116 2      C-13-H3C(O)CH3
  349895.6393  0.0021 -3.6191 3  175.5431440 -595161404271117 2    261016 2      C-13-H3C(O)CH3
  349912.7698  0.2526 -6.1592 3 1283.0644A16  5951614046359 5 0    6358 5 0      C-13-H3C(O)CH3
  349912.7698  0.2526 -6.1592 3 1283.0644A16  5951614046359 4 0    6358 6 0      C-13-H3C(O)CH3
  349917.5828  0.0437 -6.6821 3  530.7217332  5951614044137 4 4    4038 2 4      C-13-H3C(O)CH3
  349919.4889  0.2044 -6.1593 3 1283.0676A16  5951614046359 5 1    6358 6 1      C-13-H3C(O)CH3
  349920.5449  0.0297 -6.6817 3 1070.6481A64  595161404662442 0    662343 0      C-13-H3C(O)CH3
  349920.5449  0.0297 -5.2411 3 1070.6481A64  595161404662442 0    662443 0      C-13-H3C(O)CH3
  349920.5449  0.0297 -5.2411 3 1070.6481A64  595161404662542 0    662343 0      C-13-H3C(O)CH3
  349920.5449  0.0297 -6.6817 3 1070.6481A64  595161404662542 0    662443 0      C-13-H3C(O)CH3
  349926.5508  0.0356 -6.3796 3  530.7226664  5951614044137 4 1    4038 2 1      C-13-H3C(O)CH3
  349935.6016  0.0135 -5.1148 3  264.5261252  595161404312012 3    3021 9 3      C-13-H3C(O)CH3
  349936.8763  0.0095 -4.4978 3   82.8947148  5951614041811 7 4    1710 8 4      C-13-H3C(O)CH3
  349952.6174  0.0069 -4.1942 3   82.8691296  5951614041811 7 1    1710 8 1      C-13-H3C(O)CH3
  349957.0717  0.0329 -5.2476 3 1070.6607A64  595161404662442 1    662443 1      C-13-H3C(O)CH3
  349957.0717  0.0329 -5.2476 3 1070.6607A64  595161404662542 1    662343 1      C-13-H3C(O)CH3
  349957.0717  0.0329 -6.5311 3 1070.6607A64  595161404662542 1    662443 1      C-13-H3C(O)CH3
  349957.0717  0.0329 -6.5311 3 1070.6607A64  595161404662442 1    662343 1      C-13-H3C(O)CH3
  349961.4773  0.0381 -5.2303 3 1070.6615A64  595161404662442 2    662443 2      C-13-H3C(O)CH3
  349961.4773  0.0381 -5.2303 3 1070.6615A64  595161404662542 2    662343 2      C-13-H3C(O)CH3
  349965.3230  0.0019 -3.6191 3  175.5463440 -595161404271017 0    261116 0      C-13-H3C(O)CH3
  349965.6731  0.0019 -3.6191 3  175.5463440 -595161404271117 0    261016 0      C-13-H3C(O)CH3
  349976.3963  0.0493 -6.7653 3  565.6296680  5951614044239 4 1    4140 2 1      C-13-H3C(O)CH3
  349978.8141  0.0168 -5.7149 3  453.6595664  595161404412219 2    402516 2      C-13-H3C(O)CH3
  349998.0824  0.0343 -5.6100 3 1070.6741532  595161404662442 3    662443 3      C-13-H3C(O)CH3
  349998.0824  0.0343 -5.6100 3 1070.6741532  595161404662542 3    662343 3      C-13-H3C(O)CH3
  349998.0824  0.0343 -6.2837 3 1070.6741532  595161404662442 3    662343 3      C-13-H3C(O)CH3
  349998.0824  0.0343 -6.2837 3 1070.6741532  595161404662542 3    662443 3      C-13-H3C(O)CH3
  349998.1978  0.0344 -5.5664 3 1070.6742532  595161404662442 4    662343 4      C-13-H3C(O)CH3
  349998.1978  0.0344 -5.5664 3 1070.6742532  595161404662542 4    662443 4      C-13-H3C(O)CH3
  349998.1978  0.0344 -6.5829 3 1070.6742532  595161404662442 4    662443 4      C-13-H3C(O)CH3
  349998.1978  0.0344 -6.5829 3 1070.6742532  595161404662542 4    662343 4      C-13-H3C(O)CH3
  350003.8564  0.0017 -4.0674 3  159.9979204  595161404251313 4    241212 4      C-13-H3C(O)CH3
  350005.7695  0.0407 -6.7641 3  565.6590680  5951614044239 4 0    4140 2 0      C-13-H3C(O)CH3
  350005.7695  0.0407 -6.7641 3  565.6590680  5951614044239 3 0    4140 1 0      C-13-H3C(O)CH3
  350006.8086  0.0018 -4.0674 3  159.9978204 -595161404251313 3    241212 3      C-13-H3C(O)CH3
  350054.3695  0.2132 -6.1591 3 1283.0942A16  5951614046359 4 1    6358 5 1      C-13-H3C(O)CH3
  350065.2923  0.0080 -4.5277 3  582.5981840  595161404521241 0    521042 0      C-13-H3C(O)CH3
  350065.2923  0.0080 -4.5277 3  582.5981840  595161404521141 0    521142 0      C-13-H3C(O)CH3
  350066.6687  0.2163 -6.2794 3 1481.7261B12  5951614046960 9 2    695910 2      C-13-H3C(O)CH3
  350074.1558  0.2324 -6.1590 3 1283.0769A16  5951614046359 4 2    6358 5 2      C-13-H3C(O)CH3
  350081.2989  0.0109 -4.5376 3  582.5676840  595161404521141 2    521042 2      C-13-H3C(O)CH3
  350081.2989  0.0109 -6.1169 3  582.5676840  595161404521241 2    521042 2      C-13-H3C(O)CH3
  350081.2989  0.0109 -4.5376 3  582.5676840  595161404521241 2    521142 2      C-13-H3C(O)CH3
  350081.2989  0.0109 -6.1169 3  582.5676840  595161404521141 2    521142 2      C-13-H3C(O)CH3
  350081.5636  0.2012 -6.4602 3 1283.0801508  5951614046359 5 3    6358 6 3      C-13-H3C(O)CH3
  350081.8059  0.2101 -6.8157 3 1662.7532596  595161404746113 4    746014 4      C-13-H3C(O)CH3
  350081.9658  0.0112 -4.5264 3  582.5680840  595161404521141 1    521042 1      C-13-H3C(O)CH3
  350081.9658  0.0112 -4.5264 3  582.5680840  595161404521241 1    521142 1      C-13-H3C(O)CH3
  350085.9137  0.1809 -6.5804 3 1481.7241556  5951614046960 9 4    695910 4      C-13-H3C(O)CH3
  350086.2018  0.0874 -6.2081 3 1439.8587604  595161404753243 4    753244 4      C-13-H3C(O)CH3
  350086.2018  0.0874 -6.2081 3 1439.8587604  595161404753343 4    753144 4      C-13-H3C(O)CH3
  350086.2265  0.0874 -6.1916 3 1439.8587604  595161404753243 3    753144 3      C-13-H3C(O)CH3
  350086.2265  0.0874 -6.1915 3 1439.8587604  595161404753343 3    753244 3      C-13-H3C(O)CH3
  350088.4405  0.0076 -6.7903 3  171.6650204  5951614042517 8 3    251213 3      C-13-H3C(O)CH3
  350088.6967  0.0143 -5.7156 3  453.6617664  595161404412219 1    402516 1      C-13-H3C(O)CH3
  350097.4779  0.0020 -3.7664 3  159.9997408 -595161404251313 1    241212 1      C-13-H3C(O)CH3
  350097.8543  0.0116 -5.0676 3  582.5374420  595161404521141 4    521142 4      C-13-H3C(O)CH3
  350097.8543  0.0116 -5.3607 3  582.5374420  595161404521241 4    521142 4      C-13-H3C(O)CH3
  350097.8543  0.0116 -4.9777 3  582.5374420  595161404521241 4    521042 4      C-13-H3C(O)CH3
  350097.8543  0.0116 -5.1988 3  582.5374420  595161404521141 4    521042 4      C-13-H3C(O)CH3
  350098.0022  0.0116 -4.8533 3  582.5374420  595161404521241 3    521042 3      C-13-H3C(O)CH3
  350098.0022  0.0116 -6.0609 3  582.5374420  595161404521241 3    521142 3      C-13-H3C(O)CH3
  350098.0022  0.0116 -4.8533 3  582.5374420  595161404521141 3    521142 3      C-13-H3C(O)CH3
  350098.0022  0.0116 -6.0609 3  582.5374420  595161404521141 3    521042 3      C-13-H3C(O)CH3
  350110.8650  0.0921 -5.8752 3 1439.8393C08  595161404753343 1    753244 1      C-13-H3C(O)CH3
  350110.8650  0.0921 -5.8745 3 1439.8393C08  595161404753243 1    753144 1      C-13-H3C(O)CH3
  350113.8452  0.0900 -5.8981 3 1439.8420C08  595161404753243 2    753244 2      C-13-H3C(O)CH3
  350113.8452  0.0900 -5.8998 3 1439.8420C08  595161404753343 2    753144 2      C-13-H3C(O)CH3
  350120.1866  0.0103 -4.9308 3  307.1707536  595161404332311 0    3224 8 0      C-13-H3C(O)CH3
  350122.7866  0.0214 -6.2734 3  295.4679520  5951614043224 9 2    322111 2      C-13-H3C(O)CH3
  350123.1399  0.2064 -6.1590 3 1283.0648A16  5951614046359 5 2    6358 6 2      C-13-H3C(O)CH3
  350128.6394  0.0020 -3.7667 3  159.9948408 -595161404251313 2    241212 2      C-13-H3C(O)CH3
  350129.7371  0.2142 -6.4601 3 1283.0681508  5951614046359 5 4    6358 6 4      C-13-H3C(O)CH3
  350136.7738  0.2805 -6.2793 3 1481.7328B12  595161404696010 0    695911 0      C-13-H3C(O)CH3
  350136.7738  0.2805 -6.2793 3 1481.7328B12  5951614046960 9 0    695910 0      C-13-H3C(O)CH3
  350138.4852  0.0938 -6.2488 3 1439.8227C08  595161404753243 0    753244 0      C-13-H3C(O)CH3
  350138.4852  0.0938 -6.1126 3 1439.8227C08  595161404753243 0    753144 0      C-13-H3C(O)CH3
  350138.4852  0.0938 -6.1028 3 1439.8227C08  595161404753343 0    753244 0      C-13-H3C(O)CH3
  350138.4852  0.0938 -6.2626 3 1439.8227C08  595161404753343 0    753144 0      C-13-H3C(O)CH3
  350152.3326  0.1741 -6.5803 3 1481.6998556  5951614046960 9 3    695910 3      C-13-H3C(O)CH3
  350152.5881  0.0098 -5.8290 3  257.8544504  595161404311714 2    311417 2      C-13-H3C(O)CH3
  350156.3491  0.2093 -6.2793 3 1481.7308B12  5951614046960 9 1    695910 1      C-13-H3C(O)CH3
  350158.1795  0.0127 -5.0359 3  307.1493536  595161404332311 2    3224 8 2      C-13-H3C(O)CH3
  350172.2575  0.0133 -4.3956 3   97.9055312  5951614041914 5 2    1813 6 2      C-13-H3C(O)CH3
  350172.9975  0.2550 -6.5145 3 1662.7718B92  595161404746113 2    746014 2      C-13-H3C(O)CH3
  350181.2010  0.0178 -5.5870 3  307.1395536  595161404332311 1    3224 8 1      C-13-H3C(O)CH3
  350200.0877  0.0354 -6.3795 3  530.6969664  5951614044137 4 2    4038 2 2      C-13-H3C(O)CH3
  350200.7890  0.0206 -6.2198 3  295.4679520  5951614043224 8 2    322111 2      C-13-H3C(O)CH3
  350207.7148  0.0149 -5.7141 3  453.6797664  595161404412219 0    402516 0      C-13-H3C(O)CH3
  350208.9489  0.0325 -6.3780 3  530.6977664  5951614044137 4 0    4038 3 0      C-13-H3C(O)CH3
  350208.9489  0.0325 -6.3780 3  530.6977664  5951614044137 5 0    4038 2 0      C-13-H3C(O)CH3
  350210.0172  0.0153 -5.9438 3  295.4890520  5951614043224 8 0    322111 0      C-13-H3C(O)CH3
  350216.7851  0.2311 -6.4600 3 1283.1066508  5951614046359 4 4    6358 5 4      C-13-H3C(O)CH3
  350218.1739  0.0093 -6.0942 3   43.4025216  5951614041311 2 1    12 8 5 1      C-13-H3C(O)CH3
  350219.8814  0.0019 -3.7668 3  159.9967408 -595161404251313 0    241212 0      C-13-H3C(O)CH3
  350222.0741  0.2063 -6.2791 3 1481.7065B12  595161404696010 1    695911 1      C-13-H3C(O)CH3
  350232.6492  0.2187 -6.2791 3 1481.6977B12  595161404696010 2    695911 2      C-13-H3C(O)CH3
  350236.1819  0.0243 -5.5946 3  307.1467536  595161404332311 2    3224 9 2      C-13-H3C(O)CH3
  350238.5517  0.2394 -6.5144 3 1662.7664B92  595161404746113 1    746014 1      C-13-H3C(O)CH3
  350239.4172  0.0085 -5.8280 3  257.8756504  595161404311714 0    311417 0      C-13-H3C(O)CH3
  350248.4639  0.0324 -6.1573 3  307.1154268  595161404332311 3    3224 8 3      C-13-H3C(O)CH3
  350248.6240  0.2407 -6.8154 3 1662.7202596  595161404746114 3    746015 3      C-13-H3C(O)CH3
  350252.1172  0.1917 -6.5802 3 1481.6957556  595161404696010 3    695911 3      C-13-H3C(O)CH3
  350256.8823  0.0118 -6.1309 3  257.8366252  595161404311714 3    311417 3      C-13-H3C(O)CH3
  350260.5809  0.2396 -6.8153 3 1662.7272596  595161404746113 3    746014 3      C-13-H3C(O)CH3
  350263.4791  0.0118 -6.1309 3  257.8366252  595161404311714 4    311417 4      C-13-H3C(O)CH3
  350265.4976  0.2013 -6.4600 3 1283.0946508  5951614046359 4 3    6358 5 3      C-13-H3C(O)CH3
  350281.2098  0.0231 -5.6067 3  307.1180268  595161404332311 4    3224 8 4      C-13-H3C(O)CH3
  350283.8186  0.0092 -6.0858 3   43.4026216  5951614041311 2 2    12 8 5 2      C-13-H3C(O)CH3
  350291.6860  0.0424 -6.6812 3  530.6558332  5951614044137 5 3    4038 3 3      C-13-H3C(O)CH3
  350299.7497  0.0387 -6.3787 3  530.6566664  5951614044137 5 1    4038 3 1      C-13-H3C(O)CH3
  350317.7009  0.2063 -6.5800 3 1481.6714556  595161404696010 4    695911 4      C-13-H3C(O)CH3
  350321.6576  0.0090 -6.0142 3  264.5331504  595161404312012 2    302110 2      C-13-H3C(O)CH3
  350329.3886  0.3117 -6.5143 3 1662.7851B92  595161404746114 0    746014 0      C-13-H3C(O)CH3
  350329.3886  0.3117 -6.5143 3 1662.7851B92  595161404746113 0    746015 0      C-13-H3C(O)CH3
  350336.5394  0.1809 -6.7602 3 1756.0797660  595161404823944 4    823845 4      C-13-H3C(O)CH3
  350336.5394  0.1809 -6.7602 3 1756.0797660  595161404823844 4    823745 4      C-13-H3C(O)CH3
  350336.6152  0.1809 -6.7601 3 1756.0797660  595161404823844 3    823745 3      C-13-H3C(O)CH3
  350336.6153  0.1809 -6.7601 3 1756.0797660  595161404823944 3    823845 3      C-13-H3C(O)CH3
  350339.7208  0.2653 -6.5142 3 1662.7388B92  595161404746114 2    746015 2      C-13-H3C(O)CH3
  350344.4809  0.0101 -5.8291 3  257.8578504  595161404311714 1    311417 1      C-13-H3C(O)CH3
  350353.5981  0.0165 -5.7393 3  333.1118568  595161404352015 2    351718 2      C-13-H3C(O)CH3
  350363.2986  0.0082 -6.5051 3  171.6699408  5951614042517 8 1    251213 1      C-13-H3C(O)CH3
  350370.4358  0.1952 -6.4601 3 1756.0761D20  595161404823844 2    823745 2      C-13-H3C(O)CH3
  350370.4358  0.1952 -6.4601 3 1756.0761D20  595161404823944 2    823845 2      C-13-H3C(O)CH3
  350372.4674  0.0425 -6.6800 3  530.6743332  5951614044137 4 3    4038 2 3      C-13-H3C(O)CH3
  350372.8198  0.2122 -6.4590 3 1756.0731D20  595161404823844 1    823745 1      C-13-H3C(O)CH3
  350372.8199  0.2122 -6.4590 3 1756.0731D20  595161404823944 1    823845 1      C-13-H3C(O)CH3
  350382.1744  0.0475 -6.7640 3  565.6110680  5951614044239 4 2    4140 2 2      C-13-H3C(O)CH3
  350406.5752  0.2149 -6.4591 3 1756.0695D20  595161404823844 0    823745 0      C-13-H3C(O)CH3
  350406.5753  0.2149 -6.4591 3 1756.0695D20  595161404823944 0    823845 0      C-13-H3C(O)CH3
  350416.9650  0.2516 -6.5141 3 1662.7405B92  595161404746114 1    746015 1      C-13-H3C(O)CH3
  350423.4004  0.0133 -4.5095 3   97.8980312  5951614041914 5 1    1813 6 1      C-13-H3C(O)CH3
  350423.7945  0.0080 -6.4941 3  171.6658408  5951614042517 8 2    251213 2      C-13-H3C(O)CH3
  350427.0226  0.2730 -6.8150 3 1662.6943596  595161404746114 4    746015 4      C-13-H3C(O)CH3
  350429.6074  0.0088 -5.7646 3  276.9432520  595161404321914 2    321617 2      C-13-H3C(O)CH3
  350435.0345  0.0083 -5.7637 3  276.9668520  595161404321914 0    321617 0      C-13-H3C(O)CH3
  350438.1649  0.0094 -6.8382 3  171.6650204  5951614042517 8 4    251213 4      C-13-H3C(O)CH3
  350478.1316  0.0094 -6.0664 3  276.9234260  595161404321914 4    321617 4      C-13-H3C(O)CH3
  350479.7695  0.0088 -6.0664 3  276.9234260  595161404321914 3    321617 3      C-13-H3C(O)CH3
  350480.3664  0.0021 -5.7421 3  105.5939164  5951614042013 7 4    1912 7 4      C-13-H3C(O)CH3
  350485.0597  0.0087 -5.7647 3  276.9470520  595161404321914 1    321617 1      C-13-H3C(O)CH3
  350485.6607  0.0128 -5.2853 3  307.1075268  595161404332311 3    3224 9 3      C-13-H3C(O)CH3
  350495.9805  0.0129 -5.7392 3  333.1395568  595161404352015 0    351718 0      C-13-H3C(O)CH3
  350496.2278  0.0112 -5.0384 3  307.1290536  595161404332311 1    3224 9 1      C-13-H3C(O)CH3
  350500.3653  0.0105 -4.9297 3  307.1705536  595161404332310 0    3224 9 0      C-13-H3C(O)CH3
  350505.5804  0.0081 -6.4803 3  171.6707408  5951614042517 8 0    251213 0      C-13-H3C(O)CH3
  350512.2026  0.0201 -6.0406 3  333.0882284  595161404352015 3    351718 3      C-13-H3C(O)CH3
  350520.4820  0.0186 -6.0406 3  333.0882284  595161404352015 4    351718 4      C-13-H3C(O)CH3
  350534.4467  0.0039 -3.7569 3  207.2076292  59516140436 136 4    35 035 4      C-13-H3C(O)CH3
  350534.4467  0.0039 -3.7569 3  207.2076292  59516140436 036 4    35 135 4      C-13-H3C(O)CH3
  350534.4518  0.0040 -4.4617 3  207.2076292  59516140436 036 3    35 035 3      C-13-H3C(O)CH3
  350534.4518  0.0040 -4.4617 3  207.2076292  59516140436 136 3    35 135 3      C-13-H3C(O)CH3
  350534.4877  0.0040 -3.6561 3  207.2076292 -59516140436 136 3    35 035 3      C-13-H3C(O)CH3
  350534.4877  0.0039 -4.0955 3  207.2076292 -59516140436 036 4    35 035 4      C-13-H3C(O)CH3
  350534.4877  0.0039 -4.0955 3  207.2076292 -59516140436 136 4    35 135 4      C-13-H3C(O)CH3
  350534.4877  0.0040 -3.6561 3  207.2076292 -59516140436 036 3    35 135 3      C-13-H3C(O)CH3
  350539.3248  0.0108 -4.8971 3  551.2030412  595161404511041 4    511042 4      C-13-H3C(O)CH3
  350539.3248  0.0108 -5.4971 3  551.2030412  595161404511041 4    51 942 4      C-13-H3C(O)CH3
  350539.3248  0.0108 -5.4971 3  551.2030412  595161404511141 4    511042 4      C-13-H3C(O)CH3
  350539.3248  0.0108 -4.8971 3  551.2030412  595161404511141 4    51 942 4      C-13-H3C(O)CH3
  350539.5449  0.0108 -4.8130 3  551.2030412  595161404511141 3    51 942 3      C-13-H3C(O)CH3
  350539.5449  0.0108 -6.3220 3  551.2030412  595161404511141 3    511042 3      C-13-H3C(O)CH3
  350539.5449  0.0108 -4.8130 3  551.2030412  595161404511041 3    511042 3      C-13-H3C(O)CH3
  350539.5449  0.0108 -6.3220 3  551.2030412  595161404511041 3    51 942 3      C-13-H3C(O)CH3
  350539.5482  0.0046 -5.9299 3  207.1395584  59516140436 036 1    35 035 1      C-13-H3C(O)CH3
  350539.5482  0.0046 -3.2928 3  207.1395584  59516140436 136 1    35 035 1      C-13-H3C(O)CH3
  350539.6322  0.0046 -5.9299 3  207.1395584 -59516140436 136 1    35 135 1      C-13-H3C(O)CH3
  350539.6322  0.0044 -3.2946 3  207.1391584 -59516140436 136 2    35 135 2      C-13-H3C(O)CH3
  350539.6322  0.0044 -6.2905 3  207.1391584 -59516140436 036 2    35 135 2      C-13-H3C(O)CH3
  350539.6322  0.0046 -3.2928 3  207.1395584 -59516140436 036 1    35 135 1      C-13-H3C(O)CH3
  350539.6866  0.0044 -5.4917 3  207.1391584  59516140436 136 2    35 035 2      C-13-H3C(O)CH3
  350539.6866  0.0044 -3.2922 3  207.1391584  59516140436 036 2    35 035 2      C-13-H3C(O)CH3
  350544.7641  0.0039 -3.2931 3  207.0711584  59516140436 036 0    35 035 0      C-13-H3C(O)CH3
  350544.7641  0.0039 -3.2931 3  207.0711584  59516140436 136 0    35 135 0      C-13-H3C(O)CH3
  350544.7793  0.0039 -5.7571 3  207.0711584 -59516140436 036 0    35 135 0      C-13-H3C(O)CH3
  350544.7793  0.0039 -5.7571 3  207.0711584 -59516140436 136 0    35 035 0      C-13-H3C(O)CH3
  350551.9148  0.0108 -5.1781 3  551.2326824  595161404511141 2    51 942 2      C-13-H3C(O)CH3
  350551.9148  0.0108 -5.1781 3  551.2326824  595161404511041 2    511042 2      C-13-H3C(O)CH3
  350551.9148  0.0108 -4.6007 3  551.2326824  595161404511141 2    511042 2      C-13-H3C(O)CH3
  350551.9148  0.0108 -4.6007 3  551.2326824  595161404511041 2    51 942 2      C-13-H3C(O)CH3
  350552.6726  0.0110 -5.7727 3  551.2331824  595161404511141 1    511042 1      C-13-H3C(O)CH3
  350552.6726  0.0110 -5.7727 3  551.2331824  595161404511041 1    51 942 1      C-13-H3C(O)CH3
  350552.6726  0.0110 -4.5225 3  551.2331824  595161404511141 1    51 942 1      C-13-H3C(O)CH3
  350552.6726  0.0110 -4.5225 3  551.2331824  595161404511041 1    511042 1      C-13-H3C(O)CH3
  350563.7758  0.0173 -6.7758 3  202.2147212  5951614042622 5 3    2619 7 3      C-13-H3C(O)CH3
  350564.9910  0.0080 -5.5321 3  551.2626824 -595161404511041 0    51 942 0      C-13-H3C(O)CH3
  350565.0337  0.0080 -4.5410 3  551.2626824  595161404511141 0    51 942 0      C-13-H3C(O)CH3
  350565.0337  0.0080 -4.5410 3  551.2626824  595161404511041 0    511042 0      C-13-H3C(O)CH3
  350565.0337  0.0080 -5.5321 3  551.2626824  595161404511141 0    511042 0      C-13-H3C(O)CH3
  350584.4164  0.0230 -5.5930 3  307.1493536  595161404332310 2    3224 8 2      C-13-H3C(O)CH3
  350590.2486  0.0272 -6.0739 3  497.0471648  5951614044035 5 1    3936 3 1      C-13-H3C(O)CH3
  350593.0379  0.0068 -4.9588 3   64.9730132  5951614041611 6 4    15 8 7 4      C-13-H3C(O)CH3
  350611.8619  0.0125 -5.8401 3  264.5035252  595161404312012 3    302110 3      C-13-H3C(O)CH3
  350620.6817  0.0022 -5.9253 3  105.5737328  5951614042013 7 1    1912 7 1      C-13-H3C(O)CH3
  350624.1340  0.0019 -3.8694 3  182.3762228 -59516140428 919 3    271018 3      C-13-H3C(O)CH3
  350624.1340  0.0019 -3.8694 3  182.3762228 -595161404281019 3    27 918 3      C-13-H3C(O)CH3
  350624.1340  0.0020 -3.8694 3  182.3762228 -59516140428 919 4    271018 4      C-13-H3C(O)CH3
  350624.1340  0.0020 -3.8694 3  182.3762228 -595161404281019 4    27 918 4      C-13-H3C(O)CH3
  350644.8012  0.0114 -5.0372 3  307.1395536  595161404332310 1    3224 8 1      C-13-H3C(O)CH3
  350653.1187  0.0366 -6.3774 3  530.6495664  5951614044137 5 2    4038 3 2      C-13-H3C(O)CH3
  350654.5809  0.0159 -5.7396 3  333.1160568  595161404352015 1    351718 1      C-13-H3C(O)CH3
  350662.4188  0.0134 -5.0349 3  307.1467536  595161404332310 2    3224 9 2      C-13-H3C(O)CH3
  350664.8763  0.0187 -5.4662 3  307.1180268  595161404332310 4    3224 8 4      C-13-H3C(O)CH3
  350668.5102  0.0023 -6.1391 3  105.5658328  5951614042013 7 2    1912 7 2      C-13-H3C(O)CH3
  350673.7861  0.0198 -5.4674 3  307.1049268  595161404332311 4    3224 9 4      C-13-H3C(O)CH3
  350688.9303  0.0022 -3.5683 3  182.3786456 -59516140428 919 1    271018 1      C-13-H3C(O)CH3
  350688.9303  0.0022 -3.5683 3  182.3786456 -595161404281019 1    27 918 1      C-13-H3C(O)CH3
  350691.6127  0.0022 -3.5684 3  182.3770456 -59516140428 919 2    271018 2      C-13-H3C(O)CH3
  350691.6127  0.0022 -3.5684 3  182.3770456 -595161404281019 2    27 918 2      C-13-H3C(O)CH3
  350715.6211  0.0099 -5.3618 3  264.5206504  595161404312012 1    302110 1      C-13-H3C(O)CH3
  350730.3800  0.0316 -6.3758 3  497.0372324  5951614044035 5 4    3936 3 4      C-13-H3C(O)CH3
  350742.6455  0.0472 -6.6791 3  530.6085332  5951614044137 5 4    4038 3 4      C-13-H3C(O)CH3
  350751.4540  0.0220 -6.7655 3  202.2450212  5951614042622 4 4    2619 7 4      C-13-H3C(O)CH3
  350756.1729  0.0019 -3.5683 3  182.3794456 -595161404281019 0    27 918 0      C-13-H3C(O)CH3
  350756.1729  0.0019 -3.5683 3  182.3794456 -59516140428 919 0    271018 0      C-13-H3C(O)CH3
  350765.2413  0.0266 -6.0726 3  497.0382648  5951614044035 5 0    3936 4 0      C-13-H3C(O)CH3
  350765.2413  0.0266 -6.0726 3  497.0382648  5951614044035 6 0    3936 3 0      C-13-H3C(O)CH3
  350777.7914  0.0273 -5.8301 3 1031.1757A48  595161404652442 0    652343 0      C-13-H3C(O)CH3
  350777.7914  0.0273 -5.2629 3 1031.1757A48  595161404652342 0    652343 0      C-13-H3C(O)CH3
  350777.7914  0.0273 -5.2629 3 1031.1757A48  595161404652442 0    652243 0      C-13-H3C(O)CH3
  350777.7914  0.0273 -5.8301 3 1031.1757A48  595161404652342 0    652243 0      C-13-H3C(O)CH3
  350812.6836  0.0170 -5.5690 3  264.4967252  595161404312012 4    302110 4      C-13-H3C(O)CH3
  350824.1018  0.0310 -5.4646 3 1031.1857A48  595161404652442 1    652343 1      C-13-H3C(O)CH3
  350824.1018  0.0310 -5.4646 3 1031.1857A48  595161404652342 1    652243 1      C-13-H3C(O)CH3
  350824.1018  0.0310 -5.4548 3 1031.1857A48  595161404652442 1    652243 1      C-13-H3C(O)CH3
  350824.1018  0.0310 -5.4548 3 1031.1857A48  595161404652342 1    652343 1      C-13-H3C(O)CH3
  350828.2007  0.0356 -6.2590 3 1031.1862A48  595161404652442 2    652243 2      C-13-H3C(O)CH3
  350828.2007  0.0356 -5.1945 3 1031.1862A48  595161404652442 2    652343 2      C-13-H3C(O)CH3
  350828.2007  0.0356 -6.2590 3 1031.1862A48  595161404652342 2    652343 2      C-13-H3C(O)CH3
  350828.2007  0.0356 -5.1945 3 1031.1862A48  595161404652342 2    652243 2      C-13-H3C(O)CH3
  350844.4291  0.0185 -6.7578 3  202.1710212  5951614042622 5 4    2619 8 4      C-13-H3C(O)CH3
  350853.7561  0.2176 -6.1906 3 1253.6076A00  5951614046259 4 1    6258 5 1      C-13-H3C(O)CH3
  350855.6956  0.0126 -5.2840 3  307.1154268  595161404332310 3    3224 8 3      C-13-H3C(O)CH3
  350872.4514  0.0116 -6.4674 3   43.4429108  5951614041311 2 4    12 8 5 4      C-13-H3C(O)CH3
  350874.5969  0.0310 -6.4264 3 1031.1962524  595161404652342 3    652343 3      C-13-H3C(O)CH3
  350874.5969  0.0310 -5.5091 3 1031.1962524  595161404652342 3    652243 3      C-13-H3C(O)CH3
  350874.5969  0.0310 -5.5091 3 1031.1962524  595161404652442 3    652343 3      C-13-H3C(O)CH3
  350874.5969  0.0310 -6.4264 3 1031.1962524  595161404652442 3    652243 3      C-13-H3C(O)CH3
  350874.7285  0.0312 -5.4595 3 1031.1962524  595161404652342 4    652243 4      C-13-H3C(O)CH3
  350874.7285  0.0312 -5.4595 3 1031.1962524  595161404652442 4    652343 4      C-13-H3C(O)CH3
  350876.5406  0.2645 -6.1905 3 1253.5992A00  5951614046259 3 0    6258 5 0      C-13-H3C(O)CH3
  350876.5406  0.2645 -6.1905 3 1253.5992A00  5951614046259 4 0    6258 4 0      C-13-H3C(O)CH3
  350904.5988  0.0272 -6.0734 3  497.0284648  5951614044035 5 2    3936 3 2      C-13-H3C(O)CH3
  350952.2360  0.0310 -6.0729 3  496.9896648  5951614044035 6 1    3936 4 1      C-13-H3C(O)CH3
  350952.5173  0.0103 -6.8470 3  520.4568404  59516140450 941 4    50 942 4      C-13-H3C(O)CH3
  350952.5173  0.0103 -4.7816 3  520.4568404  59516140450 941 4    50 842 4      C-13-H3C(O)CH3
  350952.5173  0.0103 -4.7816 3  520.4568404  595161404501041 4    50 942 4      C-13-H3C(O)CH3
  350952.5173  0.0103 -6.8470 3  520.4568404  595161404501041 4    50 842 4      C-13-H3C(O)CH3
  350952.8071  0.0102 -4.7805 3  520.4568404  595161404501041 3    50 942 3      C-13-H3C(O)CH3
  350952.8071  0.0102 -4.7805 3  520.4568404  59516140450 941 3    50 842 3      C-13-H3C(O)CH3
  350959.8281  0.0183 -5.5855 3  307.1290536  595161404332310 1    3224 9 1      C-13-H3C(O)CH3
  351000.8373  0.0106 -4.5123 3  520.4844808  59516140450 941 2    50 942 2      C-13-H3C(O)CH3
  351000.8373  0.0106 -4.5123 3  520.4844808  595161404501041 2    50 842 2      C-13-H3C(O)CH3
  351000.8373  0.0106 -5.5807 3  520.4844808  595161404501041 2    50 942 2      C-13-H3C(O)CH3
  351000.8373  0.0106 -5.5807 3  520.4844808  59516140450 941 2    50 842 2      C-13-H3C(O)CH3
  351001.6257  0.0108 -4.9739 3  520.4849808  59516140450 941 1    50 842 1      C-13-H3C(O)CH3
  351001.6257  0.0108 -4.6432 3  520.4849808  59516140450 941 1    50 942 1      C-13-H3C(O)CH3
  351001.6257  0.0108 -4.6432 3  520.4849808  595161404501041 1    50 842 1      C-13-H3C(O)CH3
  351001.6257  0.0108 -4.9739 3  520.4849808  595161404501041 1    50 942 1      C-13-H3C(O)CH3
  351020.8556  0.3310 -6.7556 3 1818.8581C56  595161404786216 2    786117 2      C-13-H3C(O)CH3
  351022.6038  0.2877 -6.7556 3 1818.8497C56  595161404786216 1    786117 1      C-13-H3C(O)CH3
  351028.6437  0.0176 -6.7765 3  202.2013212  5951614042622 4 3    2619 8 3      C-13-H3C(O)CH3
  351034.5095  0.2282 -6.1904 3 1253.6362A00  5951614046259 3 1    6258 4 1      C-13-H3C(O)CH3
  351038.8624  0.0053 -5.6543 3   34.6605116  59516140414 311 3    13 212 3      C-13-H3C(O)CH3
  351038.8864  0.0053 -5.6543 3   34.6605116  59516140414 411 3    13 112 3      C-13-H3C(O)CH3
  351039.1809  0.0066 -5.6542 3   34.6605116  59516140414 311 4    13 212 4      C-13-H3C(O)CH3
  351039.2046  0.0066 -5.6542 3   34.6605116  59516140414 411 4    13 112 4      C-13-H3C(O)CH3
  351049.5070  0.0083 -4.4780 3  520.5125808 -59516140450 941 0    50 842 0      C-13-H3C(O)CH3
  351049.5070  0.0083 -4.4780 3  520.5125808 -595161404501041 0    50 942 0      C-13-H3C(O)CH3
  351049.5395  0.0326 -6.3739 3  497.0018324  5951614044035 5 3    3936 3 3      C-13-H3C(O)CH3
  351057.4526  0.0252 -5.6057 3  307.1049268  595161404332310 4    3224 9 4      C-13-H3C(O)CH3
  351077.5755  0.2174 -6.4914 3 1253.6263500  5951614046259 4 3    6258 5 3      C-13-H3C(O)CH3
  351078.4034  0.2271 -6.4915 3 1253.6176500  5951614046259 4 4    6258 5 4      C-13-H3C(O)CH3
  351091.7958  0.0330 -6.3747 3  496.9798324  5951614044035 6 3    3936 4 3      C-13-H3C(O)CH3
  351092.8925  0.0316 -6.1551 3  307.1075268  595161404332310 3    3224 9 3      C-13-H3C(O)CH3
  351099.7972  0.2506 -6.1902 3 1253.6178A00  5951614046259 3 2    6258 4 2      C-13-H3C(O)CH3
  351101.3106  0.2184 -6.1903 3 1253.6092A00  5951614046259 4 2    6258 5 2      C-13-H3C(O)CH3
  351116.2157  0.0632 -6.0165 3  558.3708364  595161404452718 3    452421 3      C-13-H3C(O)CH3
  351120.8901  0.0058 -4.9269 3   64.9720132  5951614041611 6 3    15 8 7 3      C-13-H3C(O)CH3
  351130.0655  0.0618 -6.0165 3  558.3708364  595161404452718 4    452421 4      C-13-H3C(O)CH3
  351161.0265  0.3122 -6.7553 3 1818.8296C56  595161404786217 2    786118 2      C-13-H3C(O)CH3
  351183.0113  0.0164 -6.4628 3  202.2474424  5951614042622 4 1    2619 7 1      C-13-H3C(O)CH3
  351183.7297  0.3247 -6.7554 3 1818.8759C56  595161404786217 0    786118 0      C-13-H3C(O)CH3
  351183.7297  0.3247 -6.7554 3 1818.8759C56  595161404786216 0    786117 0      C-13-H3C(O)CH3
  351223.6938  0.0290 -6.0715 3  496.9928648  5951614044035 6 2    3936 4 2      C-13-H3C(O)CH3
  351248.9514  0.3128 -6.7552 3 1818.8236C56  595161404786217 1    786118 1      C-13-H3C(O)CH3
  351259.2552  0.2509 -6.4912 3 1253.6548500  5951614046259 3 4    6258 4 4      C-13-H3C(O)CH3
  351260.2251  0.2138 -6.4912 3 1253.6462500  5951614046259 3 3    6258 4 3      C-13-H3C(O)CH3
  351277.1978  0.0597 -5.7171 3  558.3883728  595161404452718 2    452421 2      C-13-H3C(O)CH3
  351319.3230  0.0059 -4.6382 3   64.9353264  5951614041611 6 1    15 8 7 1      C-13-H3C(O)CH3
  351321.7645  0.0679 -6.4027 3  507.1569348  595161404432518 3    422815 3      C-13-H3C(O)CH3
  351327.4641  0.0778 -6.0963 3 1395.2443596  595161404743243 4    743144 4      C-13-H3C(O)CH3
  351327.4641  0.0778 -6.0951 3 1395.2443596  595161404743143 4    743044 4      C-13-H3C(O)CH3
  351327.4752  0.0778 -6.0930 3 1395.2443596  595161404743143 3    743044 3      C-13-H3C(O)CH3
  351327.4752  0.0778 -6.0930 3 1395.2443596  595161404743243 3    743144 3      C-13-H3C(O)CH3
  351338.0886  0.0101 -4.7646 3  490.2998396  59516140449 941 4    49 742 4      C-13-H3C(O)CH3
  351338.0886  0.0101 -4.7646 3  490.2998396  59516140449 841 4    49 842 4      C-13-H3C(O)CH3
  351338.4378  0.0099 -4.7626 3  490.2998396  59516140449 841 3    49 842 3      C-13-H3C(O)CH3
  351338.4378  0.0099 -4.7626 3  490.2998396  59516140449 941 3    49 742 3      C-13-H3C(O)CH3
  351346.9454  0.0792 -5.7928 3 1395.2240B92  595161404743143 1    743044 1      C-13-H3C(O)CH3
  351346.9454  0.0792 -5.8119 3 1395.2240B92  595161404743243 1    743144 1      C-13-H3C(O)CH3
  351350.5063  0.0792 -6.2241 3 1395.2264B92  595161404743243 2    743044 2      C-13-H3C(O)CH3
  351350.5063  0.0792 -6.4160 3 1395.2264B92  595161404743143 2    743144 2      C-13-H3C(O)CH3
  351350.5063  0.0792 -6.6262 3 1395.2264B92  595161404743243 2    743144 2      C-13-H3C(O)CH3
  351366.0985  0.2203 -6.2531 3 1449.3164A96  5951614046860 8 2    6859 9 2      C-13-H3C(O)CH3
  351369.9886  0.0807 -5.7926 3 1395.2061B92  595161404743143 0    743144 0      C-13-H3C(O)CH3
  351369.9886  0.0807 -5.7944 3 1395.2061B92  595161404743243 0    743044 0      C-13-H3C(O)CH3
  351396.8871  0.2807 -6.2530 3 1449.3215A96  5951614046860 8 0    6859 9 0      C-13-H3C(O)CH3
  351396.8871  0.2807 -6.2530 3 1449.3215A96  5951614046860 9 0    685910 0      C-13-H3C(O)CH3
  351403.5708  0.0068 -5.3517 3   34.5942232  59516140414 311 2    13 212 2      C-13-H3C(O)CH3
  351403.5960  0.0068 -5.3517 3   34.5942232  59516140414 411 2    13 112 2      C-13-H3C(O)CH3
  351408.3034  0.0380 -6.3728 3  496.9443324  5951614044035 6 4    3936 4 4      C-13-H3C(O)CH3
  351408.6131  0.0066 -5.3519 3   34.5947232  59516140414 311 1    13 212 1      C-13-H3C(O)CH3
  351408.6373  0.0066 -5.3519 3   34.5947232  59516140414 411 1    13 112 1      C-13-H3C(O)CH3
  351412.1145  0.0163 -6.4628 3  202.2188424  5951614042622 5 2    2619 8 2      C-13-H3C(O)CH3
  351414.0354  0.1916 -6.5541 3 1449.3189548  5951614046860 8 4    6859 9 4      C-13-H3C(O)CH3
  351422.5078  0.0153 -6.2575 3  541.3464364  595161404452322 3    442619 3      C-13-H3C(O)CH3
  351429.0654  0.0156 -6.2574 3  541.3461364  595161404452322 4    442619 4      C-13-H3C(O)CH3
  351429.1149  0.0103 -4.5729 3  490.3238792 -59516140449 941 2    49 842 2      C-13-H3C(O)CH3
  351429.1149  0.0103 -4.5729 3  490.3238792 -59516140449 841 2    49 742 2      C-13-H3C(O)CH3
  351429.2530  0.0103 -5.1060 3  490.3238792  59516140449 941 2    49 742 2      C-13-H3C(O)CH3
  351429.2530  0.0103 -5.1060 3  490.3238792  59516140449 841 2    49 842 2      C-13-H3C(O)CH3
  351430.0209  0.0105 -4.5710 3  490.3243792  59516140449 941 1    49 742 1      C-13-H3C(O)CH3
  351430.0209  0.0105 -4.5710 3  490.3243792  59516140449 841 1    49 842 1      C-13-H3C(O)CH3
  351430.0509  0.0105 -5.1125 3  490.3243792 -59516140449 841 1    49 742 1      C-13-H3C(O)CH3
  351430.0509  0.0105 -5.1125 3  490.3243792 -59516140449 941 1    49 842 1      C-13-H3C(O)CH3
  351434.9935  0.0159 -5.9579 3  541.3669728  595161404452322 1    442619 1      C-13-H3C(O)CH3
  351443.5649  0.1763 -6.5540 3 1449.2951548  5951614046860 9 3    6859 9 3      C-13-H3C(O)CH3
  351445.0032  0.2120 -6.2530 3 1449.3241A96  5951614046860 8 1    6859 9 1      C-13-H3C(O)CH3
  351447.6122  0.0161 -6.4594 3  202.2042424  5951614042622 5 1    2619 8 1      C-13-H3C(O)CH3
  351473.5928  0.0156 -5.9561 3  541.3625728  595161404452322 2    442619 2      C-13-H3C(O)CH3
  351473.8797  0.2068 -6.2529 3 1449.3002A96  5951614046860 9 1    685910 1      C-13-H3C(O)CH3
  351478.9995  0.0062 -6.4780 3  159.9409204  595161404251213 3    25 916 3      C-13-H3C(O)CH3
  351480.0959  0.0080 -6.4780 3  159.9409204  595161404251213 4    25 916 4      C-13-H3C(O)CH3
  351482.1267  0.0139 -5.9576 3  541.3832728  595161404452322 0    442619 0      C-13-H3C(O)CH3
  351519.7093  0.2167 -6.2528 3 1449.2911A96  5951614046860 9 2    685910 2      C-13-H3C(O)CH3
  351520.6814  0.0086 -4.7421 3  490.3483792 -59516140449 941 0    49 842 0      C-13-H3C(O)CH3
  351520.6814  0.0086 -4.7421 3  490.3483792 -59516140449 841 0    49 742 0      C-13-H3C(O)CH3
  351520.7091  0.0086 -4.7830 3  490.3483792  59516140449 941 0    49 742 0      C-13-H3C(O)CH3
  351520.7091  0.0086 -4.7830 3  490.3483792  59516140449 841 0    49 842 0      C-13-H3C(O)CH3
  351533.8947  0.0065 -4.6378 3   64.9301264  5951614041611 6 2    15 8 7 2      C-13-H3C(O)CH3
  351556.4520  0.0020 -3.8261 3  188.6344236 -59516140429 821 4    28 920 4      C-13-H3C(O)CH3
  351556.4520  0.0020 -3.8261 3  188.6344236 -59516140429 921 3    28 820 3      C-13-H3C(O)CH3
  351556.4520  0.0020 -3.8261 3  188.6344236 -59516140429 921 4    28 820 4      C-13-H3C(O)CH3
  351556.4520  0.0020 -3.8261 3  188.6344236 -59516140429 821 3    28 920 3      C-13-H3C(O)CH3
  351567.8319  0.1921 -6.5539 3 1449.2937548  5951614046860 8 3    685910 3      C-13-H3C(O)CH3
  351574.2437  0.0310 -5.7182 3  558.3925728  595161404452718 1    452421 1      C-13-H3C(O)CH3
  351582.5808  0.0155 -6.4669 3  202.2497424  5951614042622 4 2    2619 7 2      C-13-H3C(O)CH3
  351594.8741  0.0254 -5.0996 3  992.2771A32  595161404642242 0    642243 0      C-13-H3C(O)CH3
  351594.8741  0.0254 -5.0996 3  992.2771A32  595161404642342 0    642143 0      C-13-H3C(O)CH3
  351596.4564  0.2039 -6.5538 3 1449.2698548  5951614046860 9 4    685910 4      C-13-H3C(O)CH3
  351616.8456  0.0023 -3.5250 3  188.6351472 -59516140429 821 1    28 920 1      C-13-H3C(O)CH3
  351616.8456  0.0023 -3.5250 3  188.6351472 -59516140429 921 1    28 820 1      C-13-H3C(O)CH3
  351618.6192  0.0023 -3.5251 3  188.6339472 -59516140429 821 2    28 920 2      C-13-H3C(O)CH3
  351618.6192  0.0023 -3.5251 3  188.6339472 -59516140429 921 2    28 820 2      C-13-H3C(O)CH3
  351626.3407  0.0061 -6.1748 3  159.9368408  595161404251213 2    25 916 2      C-13-H3C(O)CH3
  351647.8140  0.0135 -5.1490 3  353.6614568  595161404352610 0    3427 7 0      C-13-H3C(O)CH3
  351650.6794  0.0292 -5.5264 3  992.2840A32  595161404642242 1    642143 1      C-13-H3C(O)CH3
  351650.6794  0.0292 -5.5264 3  992.2840A32  595161404642342 1    642243 1      C-13-H3C(O)CH3
  351650.6794  0.0292 -5.2938 3  992.2840A32  595161404642342 1    642143 1      C-13-H3C(O)CH3
  351650.6794  0.0292 -5.2938 3  992.2840A32  595161404642242 1    642243 1      C-13-H3C(O)CH3
  351653.7648  0.0135 -5.1489 3  353.6614568  5951614043526 9 0    3427 8 0      C-13-H3C(O)CH3
  351654.4011  0.0331 -5.1296 3  992.2843A32  595161404642342 2    642143 2      C-13-H3C(O)CH3
  351654.4011  0.0331 -5.0987 3  992.2843A32  595161404642242 2    642243 2      C-13-H3C(O)CH3
  351654.4011  0.0331 -6.1942 3  992.2843A32  595161404642342 2    642243 2      C-13-H3C(O)CH3
  351678.8498  0.0020 -3.5250 3  188.6346472 -59516140429 921 0    28 820 0      C-13-H3C(O)CH3
  351678.8498  0.0020 -3.5250 3  188.6346472 -59516140429 821 0    28 920 0      C-13-H3C(O)CH3
  351685.5251  0.1953 -6.7703 3 1627.8710588  595161404736112 4    736013 4      C-13-H3C(O)CH3
  351693.0225  0.0061 -6.1749 3  159.9387408  595161404251213 1    25 916 1      C-13-H3C(O)CH3
  351693.3525  0.0224 -5.8151 3  464.6830632  5951614043933 6 1    3834 4 1      C-13-H3C(O)CH3
  351696.6715  0.0105 -4.9939 3  460.7332388  59516140448 741 4    48 642 4      C-13-H3C(O)CH3
  351696.6715  0.0105 -4.9939 3  460.7332388  59516140448 841 4    48 742 4      C-13-H3C(O)CH3
  351696.6715  0.0105 -5.1289 3  460.7332388  59516140448 741 4    48 742 4      C-13-H3C(O)CH3
  351696.6715  0.0105 -5.1289 3  460.7332388  59516140448 841 4    48 642 4      C-13-H3C(O)CH3
  351697.0589  0.0101 -4.7573 3  460.7332388  59516140448 841 3    48 642 3      C-13-H3C(O)CH3
  351697.0589  0.0101 -4.7573 3  460.7332388  59516140448 741 3    48 742 3      C-13-H3C(O)CH3
  351710.2992  0.0282 -5.6748 3  992.2912516  595161404642242 3    642143 3      C-13-H3C(O)CH3
  351710.2992  0.0282 -5.7174 3  992.2912516  595161404642342 3    642143 3      C-13-H3C(O)CH3
  351710.2992  0.0282 -5.7174 3  992.2912516  595161404642242 3    642243 3      C-13-H3C(O)CH3
  351710.2992  0.0282 -5.6748 3  992.2912516  595161404642342 3    642243 3      C-13-H3C(O)CH3
  351710.4450  0.0283 -6.2301 3  992.2912516  595161404642342 4    642143 4      C-13-H3C(O)CH3
  351710.4450  0.0283 -5.4631 3  992.2912516  595161404642242 4    642143 4      C-13-H3C(O)CH3
  351710.4450  0.0283 -6.2301 3  992.2912516  595161404642242 4    642243 4      C-13-H3C(O)CH3
  351710.4450  0.0283 -5.4631 3  992.2912516  595161404642342 4    642243 4      C-13-H3C(O)CH3
  351713.0047  0.0062 -6.4776 3  159.9409204  595161404251313 3    251016 3      C-13-H3C(O)CH3
  351713.1104  0.0079 -6.4776 3  159.9409204  595161404251313 4    251016 4      C-13-H3C(O)CH3
  351732.5131  0.2336 -6.2511 3 1224.6405984  5951614046159 3 1    6158 4 1      C-13-H3C(O)CH3
  351733.0159  0.0314 -5.7198 3  558.4100728  595161404452718 0    452421 0      C-13-H3C(O)CH3
  351745.5433  0.2469 -6.4692 3 1627.8876B76  595161404736112 2    736013 2      C-13-H3C(O)CH3
  351754.6101  0.0133 -5.1480 3  353.6354568  595161404352610 2    3427 8 2      C-13-H3C(O)CH3
  351759.6325  0.0229 -5.8141 3  464.6882632  5951614043933 6 0    3834 5 0      C-13-H3C(O)CH3
  351759.6325  0.0229 -5.8141 3  464.6882632  5951614043933 7 0    3834 4 0      C-13-H3C(O)CH3
  351772.5093  0.0069 -5.3503 3   34.5284232  59516140414 311 0    13 212 0      C-13-H3C(O)CH3
  351772.5349  0.0069 -5.3503 3   34.5284232  59516140414 411 0    13 112 0      C-13-H3C(O)CH3
  351789.2969  0.2812 -6.2508 3 1224.6272984  5951614046159 3 0    6158 4 0      C-13-H3C(O)CH3
  351789.2969  0.2812 -6.2508 3 1224.6272984  5951614046159 2 0    6158 3 0      C-13-H3C(O)CH3
  351825.4670  0.2376 -6.4691 3 1627.8843B76  595161404736112 1    736013 1      C-13-H3C(O)CH3
  351837.4182  0.0203 -5.2704 3   97.8844156  5951614041914 5 4    1813 6 4      C-13-H3C(O)CH3
  351838.2532  0.0099 -4.7708 3  460.7517776 -59516140448 741 2    48 642 2      C-13-H3C(O)CH3
  351838.2532  0.0099 -4.7708 3  460.7517776 -59516140448 841 2    48 742 2      C-13-H3C(O)CH3
  351838.2999  0.0099 -4.7393 3  460.7517776  59516140448 741 2    48 742 2      C-13-H3C(O)CH3
  351838.2999  0.0099 -4.7393 3  460.7517776  59516140448 841 2    48 642 2      C-13-H3C(O)CH3
  351839.0094  0.0102 -4.4819 3  460.7521776  59516140448 841 1    48 642 1      C-13-H3C(O)CH3
  351839.0094  0.0102 -4.4819 3  460.7521776  59516140448 741 1    48 742 1      C-13-H3C(O)CH3
  351839.1908  0.0102 -5.6567 3  460.7521776 -59516140448 741 1    48 642 1      C-13-H3C(O)CH3
  351839.1908  0.0102 -5.6567 3  460.7521776 -59516140448 841 1    48 742 1      C-13-H3C(O)CH3
  351839.7614  0.0059 -6.1724 3  159.9346408  595161404251213 0    25 916 0      C-13-H3C(O)CH3
  351841.2899  0.2171 -6.7700 3 1627.8466588  595161404736112 3    736013 3      C-13-H3C(O)CH3
  351858.6867  0.2292 -6.7700 3 1627.8393588  595161404736113 3    736014 3      C-13-H3C(O)CH3
  351861.8244  0.0138 -5.1493 3  353.6246568  5951614043526 9 1    3427 7 1      C-13-H3C(O)CH3
  351865.7145  0.0621 -6.5010 3  507.1391348  595161404432518 4    422815 4      C-13-H3C(O)CH3
  351866.8731  0.0061 -6.1743 3  159.9368408  595161404251313 2    251016 2      C-13-H3C(O)CH3
  351885.0877  0.3194 -6.4689 3 1627.9010B76  595161404736113 0    736014 0      C-13-H3C(O)CH3
  351885.0877  0.3194 -6.4689 3 1627.9010B76  595161404736112 0    736013 0      C-13-H3C(O)CH3
  351907.4724  0.0617 -6.1494 3  507.1604696  595161404432518 2    422815 2      C-13-H3C(O)CH3
  351918.5764  0.2613 -6.4688 3 1627.8559B76  595161404736113 2    736014 2      C-13-H3C(O)CH3
  351923.4238  0.0044 -4.8049 3   60.9467132  59516140416 8 8 3    15 7 9 3      C-13-H3C(O)CH3
  351926.3309  0.0060 -6.1745 3  159.9387408  595161404251313 1    251016 1      C-13-H3C(O)CH3
  351928.1183  0.1618 -6.6667 3 1707.5226652  595161404813744 4    813645 4      C-13-H3C(O)CH3
  351928.1184  0.1618 -6.6667 3 1707.5226652  595161404813844 4    813745 4      C-13-H3C(O)CH3
  351928.1906  0.1618 -6.6666 3 1707.5226652  595161404813744 3    813645 3      C-13-H3C(O)CH3
  351928.1906  0.1618 -6.6666 3 1707.5226652  595161404813844 3    813745 3      C-13-H3C(O)CH3
  351928.3317  0.0134 -5.1485 3  353.6186568  595161404352610 1    3427 8 1      C-13-H3C(O)CH3
  351936.5979  0.0065 -4.8049 3   60.9467132  59516140416 8 8 4    15 7 9 4      C-13-H3C(O)CH3
  351944.9002  0.0256 -6.1164 3  464.6676316  5951614043933 6 4    3834 4 4      C-13-H3C(O)CH3
  351948.2622  0.0176 -6.4619 3  202.2542424  5951614042622 4 0    2619 7 0      C-13-H3C(O)CH3
  351959.5297  0.2470 -6.2508 3 1224.6718984  5951614046159 2 1    6158 3 1      C-13-H3C(O)CH3
  351962.9781  0.0147 -5.4491 3  353.5984284  595161404352610 3    3427 7 3      C-13-H3C(O)CH3
  351963.6112  0.1751 -6.3667 3 1707.5166D04  595161404813844 2    813745 2      C-13-H3C(O)CH3
  351963.6112  0.1751 -6.3668 3 1707.5166D04  595161404813744 2    813645 2      C-13-H3C(O)CH3
  351965.2082  0.1900 -6.3655 3 1707.5135D04  595161404813844 1    813745 1      C-13-H3C(O)CH3
  351965.2082  0.1900 -6.3655 3 1707.5135D04  595161404813744 1    813645 1      C-13-H3C(O)CH3
  351965.5234  0.2410 -6.5519 3 1224.6608492  5951614046159 3 4    6158 4 4      C-13-H3C(O)CH3
  351973.3097  0.0137 -5.1481 3  353.6392568  5951614043526 9 2    3427 7 2      C-13-H3C(O)CH3
  351979.9901  0.0088 -4.4539 3  460.7706776 -59516140448 841 0    48 742 0      C-13-H3C(O)CH3
  351979.9901  0.0088 -4.4539 3  460.7706776 -59516140448 741 0    48 642 0      C-13-H3C(O)CH3
  351980.7641  0.2457 -6.4688 3 1627.8600B76  595161404736113 1    736014 1      C-13-H3C(O)CH3
  352000.5726  0.1927 -6.3656 3 1707.5076D04  595161404813744 0    813645 0      C-13-H3C(O)CH3
  352000.5726  0.1927 -6.3656 3 1707.5076D04  595161404813844 0    813745 0      C-13-H3C(O)CH3
  352010.5373  0.0226 -5.8143 3  464.6728632  5951614043933 6 2    3834 4 2      C-13-H3C(O)CH3
  352013.3429  0.0051 -4.6305 3   64.8931264  5951614041611 6 0    15 8 7 0      C-13-H3C(O)CH3
  352013.4674  0.0257 -5.8140 3  464.6361632  5951614043933 7 1    3834 5 1      C-13-H3C(O)CH3
  352013.9599  0.2547 -6.7697 3 1627.8149588  595161404736113 4    736014 4      C-13-H3C(O)CH3
  352020.5215  0.2359 -6.5518 3 1224.6667492  5951614046159 3 3    6158 4 3      C-13-H3C(O)CH3
  352022.4025  0.2330 -6.2507 3 1224.6475984  5951614046159 3 2    6158 4 2      C-13-H3C(O)CH3
  352028.8826  0.0115 -6.2896 3  431.7580380  59516140447 641 4    47 642 4      C-13-H3C(O)CH3
  352028.8826  0.0115 -4.7709 3  431.7580380  59516140447 741 4    47 642 4      C-13-H3C(O)CH3
  352028.8826  0.0115 -6.2896 3  431.7580380  59516140447 741 4    47 542 4      C-13-H3C(O)CH3
  352028.8826  0.0115 -4.7709 3  431.7580380  59516140447 641 4    47 542 4      C-13-H3C(O)CH3
  352029.2733  0.0110 -4.7606 3  431.7580380  59516140447 741 3    47 542 3      C-13-H3C(O)CH3
  352029.2733  0.0110 -4.7606 3  431.7580380  59516140447 641 3    47 642 3      C-13-H3C(O)CH3
  352032.1250  0.0158 -5.4482 3  353.5923284  595161404352610 4    3427 8 4      C-13-H3C(O)CH3
  352067.4166  0.0050 -4.5030 3   60.9057264 -59516140416 8 8 2    15 7 9 2      C-13-H3C(O)CH3
  352076.9754  0.2731 -6.2505 3 1224.6534984  5951614046159 2 2    6158 3 2      C-13-H3C(O)CH3
  352079.9059  0.0058 -6.1719 3  159.9346408  595161404251313 0    251016 0      C-13-H3C(O)CH3
  352087.2267  0.0175 -6.4617 3  202.2496424  5951614042622 5 0    2619 8 0      C-13-H3C(O)CH3
  352117.6090  0.0265 -6.1148 3  464.6424316  5951614043933 6 3    3834 4 3      C-13-H3C(O)CH3
  352137.8880  0.0048 -4.5031 3   60.9073264 -59516140416 8 8 1    15 7 9 1      C-13-H3C(O)CH3
  352180.1441  0.0158 -5.4492 3  353.6024284  5951614043526 9 4    3427 7 4      C-13-H3C(O)CH3
  352184.4577  0.0239 -5.8128 3  464.6475632  5951614043933 7 2    3834 5 2      C-13-H3C(O)CH3
  352193.7649  0.2277 -6.5516 3 1224.6921492  5951614046159 2 3    6158 3 3      C-13-H3C(O)CH3
  352229.0607  0.0096 -4.4851 3  431.7688760 -59516140447 641 2    47 542 2      C-13-H3C(O)CH3
  352229.0607  0.0096 -5.6481 3  431.7688760 -59516140447 741 2    47 542 2      C-13-H3C(O)CH3
  352229.0672  0.0096 -5.6481 3  431.7688760  59516140447 641 2    47 642 2      C-13-H3C(O)CH3
  352229.0672  0.0096 -4.4851 3  431.7688760  59516140447 741 2    47 642 2      C-13-H3C(O)CH3
  352229.6975  0.0102 -6.0980 3  431.7692760  59516140447 641 1    47 642 1      C-13-H3C(O)CH3
  352229.6975  0.0102 -6.0980 3  431.7692760  59516140447 741 1    47 542 1      C-13-H3C(O)CH3
  352229.9507  0.0102 -4.4664 3  431.7692760 -59516140447 641 1    47 542 1      C-13-H3C(O)CH3
  352229.9507  0.0102 -4.4664 3  431.7692760 -59516140447 741 1    47 642 1      C-13-H3C(O)CH3
  352248.2451  0.0140 -5.4484 3  353.5963284  5951614043526 9 3    3427 8 3      C-13-H3C(O)CH3
  352249.1882  0.2733 -6.5515 3 1224.6979492  5951614046159 2 4    6158 3 4      C-13-H3C(O)CH3
  352263.3836  0.0272 -6.1153 3  464.6208316  5951614043933 7 3    3834 5 3      C-13-H3C(O)CH3
  352275.3793  0.0049 -4.5022 3   60.8664264 -59516140416 8 8 0    15 7 9 0      C-13-H3C(O)CH3
  352335.3313  0.0134 -4.8480 3  403.3751372  59516140446 541 4    46 542 4      C-13-H3C(O)CH3
  352335.3313  0.0134 -5.5793 3  403.3751372  59516140446 641 4    46 542 4      C-13-H3C(O)CH3
  352335.3313  0.0134 -4.8480 3  403.3751372  59516140446 641 4    46 442 4      C-13-H3C(O)CH3
  352335.3313  0.0134 -5.5793 3  403.3751372  59516140446 541 4    46 442 4      C-13-H3C(O)CH3
  352335.6724  0.0127 -6.4862 3  403.3751372  59516140446 641 3    46 542 3      C-13-H3C(O)CH3
  352335.6724  0.0127 -4.7826 3  403.3751372  59516140446 641 3    46 442 3      C-13-H3C(O)CH3
  352335.6724  0.0127 -4.7826 3  403.3751372  59516140446 541 3    46 542 3      C-13-H3C(O)CH3
  352335.6724  0.0127 -6.4862 3  403.3751372  59516140446 541 3    46 442 3      C-13-H3C(O)CH3
  352372.4105  0.0339 -6.1087 3  507.1586696  595161404432518 1    422815 1      C-13-H3C(O)CH3
  352374.0170  0.0236 -5.3552 3  953.9535A16  595161404632242 0    632043 0      C-13-H3C(O)CH3
  352374.0170  0.0236 -5.3102 3  953.9535A16  595161404632242 0    632143 0      C-13-H3C(O)CH3
  352374.0170  0.0236 -5.3102 3  953.9535A16  595161404632142 0    632043 0      C-13-H3C(O)CH3
  352374.0170  0.0236 -5.3552 3  953.9535A16  595161404632142 0    632143 0      C-13-H3C(O)CH3
  352429.1654  0.0089 -4.4600 3  431.7800760  59516140447 641 0    47 642 0      C-13-H3C(O)CH3
  352429.1654  0.0089 -4.4600 3  431.7800760  59516140447 741 0    47 542 0      C-13-H3C(O)CH3
  352429.1778  0.0089 -6.4676 3  431.7800760 -59516140447 641 0    47 542 0      C-13-H3C(O)CH3
  352429.1778  0.0089 -6.4676 3  431.7800760 -59516140447 741 0    47 642 0      C-13-H3C(O)CH3
  352435.1217  0.0307 -6.1137 3  464.5954316  5951614043933 7 4    3834 5 4      C-13-H3C(O)CH3
  352438.7039  0.0275 -5.0853 3  953.9568A16  595161404632142 1    632043 1      C-13-H3C(O)CH3
  352438.7039  0.0275 -5.9596 3  953.9568A16  595161404632142 1    632143 1      C-13-H3C(O)CH3
  352438.7039  0.0275 -5.9596 3  953.9568A16  595161404632242 1    632043 1      C-13-H3C(O)CH3
  352438.7039  0.0275 -5.0853 3  953.9568A16  595161404632242 1    632143 1      C-13-H3C(O)CH3
  352441.9932  0.0306 -5.0332 3  953.9570A16  595161404632242 2    632043 2      C-13-H3C(O)CH3
  352441.9932  0.0306 -5.0332 3  953.9570A16  595161404632142 2    632143 2      C-13-H3C(O)CH3
  352475.2697  0.0071 -4.0638 3  165.5911408 -595161404251411 2    241510 2      C-13-H3C(O)CH3
  352506.7793  0.0258 -5.3927 3  953.9604508  595161404632242 3    632143 3      C-13-H3C(O)CH3
  352506.7793  0.0258 -6.2143 3  953.9604508  595161404632142 3    632143 3      C-13-H3C(O)CH3
  352506.7793  0.0258 -6.2143 3  953.9604508  595161404632242 3    632043 3      C-13-H3C(O)CH3
  352506.7793  0.0258 -5.3927 3  953.9604508  595161404632142 3    632043 3      C-13-H3C(O)CH3
  352506.9361  0.0259 -5.5679 3  953.9604508  595161404632242 4    632143 4      C-13-H3C(O)CH3
  352506.9361  0.0259 -5.7091 3  953.9604508  595161404632242 4    632043 4      C-13-H3C(O)CH3
  352506.9361  0.0259 -5.3336 3  953.9604508  595161404632142 4    632143 4      C-13-H3C(O)CH3
  352512.6297  0.0693 -6.0322 3 1351.1920588  595161404733143 3    732944 3      C-13-H3C(O)CH3
  352512.6297  0.0693 -6.0120 3 1351.1920588  595161404733043 3    733044 3      C-13-H3C(O)CH3
  352512.6335  0.0694 -6.0625 3 1351.1920588  595161404733143 4    733044 4      C-13-H3C(O)CH3
  352512.6335  0.0694 -6.0851 3 1351.1920588  595161404733043 4    732944 4      C-13-H3C(O)CH3
  352512.6335  0.0694 -6.8222 3 1351.1920588  595161404733043 4    733044 4      C-13-H3C(O)CH3
  352521.6268  0.0062 -4.0644 3  165.5954408 -595161404251411 0    241510 0      C-13-H3C(O)CH3
  352525.9696  0.0681 -6.2380 3 1351.1711B76  595161404733143 1    733044 1      C-13-H3C(O)CH3
  352525.9696  0.0681 -5.8641 3 1351.1711B76  595161404733143 1    732944 1      C-13-H3C(O)CH3
  352525.9696  0.0681 -5.8641 3 1351.1711B76  595161404733043 1    733044 1      C-13-H3C(O)CH3
  352525.9696  0.0681 -6.2380 3 1351.1711B76  595161404733043 1    732944 1      C-13-H3C(O)CH3
  352530.0152  0.0700 -5.7128 3 1351.1733B76  595161404733143 2    732944 2      C-13-H3C(O)CH3
  352530.0152  0.0700 -5.7128 3 1351.1733B76  595161404733043 2    733044 2      C-13-H3C(O)CH3
  352543.3774  0.0692 -5.7863 3 1351.1525B76  595161404733043 0    732944 0      C-13-H3C(O)CH3
  352543.3774  0.0692 -6.5083 3 1351.1525B76  595161404733143 0    732944 0      C-13-H3C(O)CH3
  352543.3774  0.0692 -5.7863 3 1351.1525B76  595161404733143 0    733044 0      C-13-H3C(O)CH3
  352543.3774  0.0692 -6.5083 3 1351.1525B76  595161404733043 0    733044 0      C-13-H3C(O)CH3
  352556.7547  0.0021 -6.3622 3  194.3304244  59516140430 823 4    29 822 4      C-13-H3C(O)CH3
  352556.7568  0.0021 -3.7890 3  194.3304244 -59516140430 823 4    29 722 4      C-13-H3C(O)CH3
  352556.7568  0.0021 -3.7879 3  194.3304244 -59516140430 723 4    29 822 4      C-13-H3C(O)CH3
  352556.7568  0.0020 -3.7882 3  194.3304244 -59516140430 723 3    29 822 3      C-13-H3C(O)CH3
  352556.7942  0.0020 -3.7879 3  194.3304244  59516140430 823 3    29 722 3      C-13-H3C(O)CH3
  352559.3189  0.2520 -6.3637 3 1196.1649968  5951614046059 2 1    6058 3 1      C-13-H3C(O)CH3
  352588.7702  0.2815 -6.2333 3 1417.4103A80  5951614046760 8 0    6759 9 0      C-13-H3C(O)CH3
  352588.7702  0.2815 -6.2333 3 1417.4103A80  5951614046760 7 0    6759 8 0      C-13-H3C(O)CH3
  352602.5955  0.0105 -4.4729 3  403.3758744  59516140446 541 2    46 542 2      C-13-H3C(O)CH3
  352602.5955  0.0105 -4.4729 3  403.3758744  59516140446 641 2    46 442 2      C-13-H3C(O)CH3
  352602.6341  0.2267 -6.2333 3 1417.4077A80  5951614046760 7 2    6759 8 2      C-13-H3C(O)CH3
  352603.1463  0.0116 -4.5010 3  403.3762744  59516140446 541 1    46 542 1      C-13-H3C(O)CH3
  352603.1463  0.0116 -4.5010 3  403.3762744  59516140446 641 1    46 442 1      C-13-H3C(O)CH3
  352603.3410  0.0116 -5.6656 3  403.3762744 -59516140446 541 1    46 442 1      C-13-H3C(O)CH3
  352603.3410  0.0116 -5.6656 3  403.3762744 -59516140446 641 1    46 542 1      C-13-H3C(O)CH3
  352613.3461  0.0024 -3.4889 3  194.3284488 -59516140430 823 1    29 722 1      C-13-H3C(O)CH3
  352613.3461  0.0024 -3.4868 3  194.3284488 -59516140430 723 1    29 822 1      C-13-H3C(O)CH3
  352613.4286  0.0024 -5.7842 3  194.3284488  59516140430 823 1    29 822 1      C-13-H3C(O)CH3
  352614.5620  0.0024 -6.1239 3  194.3274488  59516140430 723 2    29 722 2      C-13-H3C(O)CH3
  352614.5620  0.0024 -5.6059 3  194.3274488  59516140430 823 2    29 822 2      C-13-H3C(O)CH3
  352614.6083  0.0024 -3.4901 3  194.3274488 -59516140430 823 2    29 722 2      C-13-H3C(O)CH3
  352614.6083  0.0024 -3.4878 3  194.3274488 -59516140430 723 2    29 822 2      C-13-H3C(O)CH3
  352616.6274  0.0163 -5.6901 3  375.5856364  59516140445 441 4    45 342 4      C-13-H3C(O)CH3
  352616.6274  0.0163 -5.6901 3  375.5856364  59516140445 541 4    45 442 4      C-13-H3C(O)CH3
  352616.6274  0.0163 -4.8703 3  375.5856364  59516140445 541 4    45 342 4      C-13-H3C(O)CH3
  352616.6274  0.0163 -4.8703 3  375.5856364  59516140445 441 4    45 442 4      C-13-H3C(O)CH3
  352616.8442  0.0155 -4.8091 3  375.5855364  59516140445 441 3    45 442 3      C-13-H3C(O)CH3
  352616.8442  0.0155 -4.8091 3  375.5855364  59516140445 541 3    45 342 3      C-13-H3C(O)CH3
  352627.0645  0.0379 -6.0729 3  507.1730696  595161404432518 0    422815 0      C-13-H3C(O)CH3
  352650.2876  0.0092 -4.3615 3  165.5902204  595161404251411 3    241510 3      C-13-H3C(O)CH3
  352652.2117  0.2098 -6.2332 3 1417.3941A80  5951614046760 8 1    6759 9 1      C-13-H3C(O)CH3
  352654.2793  0.3024 -6.3634 3 1196.1472968  5951614046059 2 0    6058 3 0      C-13-H3C(O)CH3
  352654.2793  0.3024 -6.3634 3 1196.1472968  5951614046059 1 0    6058 2 0      C-13-H3C(O)CH3
  352662.9937  0.2163 -6.2333 3 1417.4182A80  5951614046760 7 1    6759 8 1      C-13-H3C(O)CH3
  352666.6393  0.1832 -6.5343 3 1417.3916540  5951614046760 8 3    6759 9 3      C-13-H3C(O)CH3
  352671.0538  0.0021 -3.4901 3  194.3254488 -59516140430 823 0    29 722 0      C-13-H3C(O)CH3
  352671.0538  0.0021 -5.5904 3  194.3254488 -59516140430 723 0    29 722 0      C-13-H3C(O)CH3
  352671.0710  0.0021 -5.5674 3  194.3254488  59516140430 823 0    29 822 0      C-13-H3C(O)CH3
  352671.0710  0.0021 -3.4903 3  194.3254488  59516140430 723 0    29 822 0      C-13-H3C(O)CH3
  352676.8937  0.2047 -6.5343 3 1417.4155540  5951614046760 7 4    6759 8 4      C-13-H3C(O)CH3
  352702.2902  0.0086 -4.3616 3  165.5891204  595161404251411 4    241510 4      C-13-H3C(O)CH3
  352718.6160  0.0074 -4.0612 3  165.5940408 -595161404251411 1    241510 1      C-13-H3C(O)CH3
  352736.9213  0.2170 -6.2331 3 1417.3857A80  5951614046760 8 2    6759 9 2      C-13-H3C(O)CH3
  352764.7199  0.0176 -6.5763 3  100.4513312  5951614041915 5 1    1814 4 1      C-13-H3C(O)CH3
  352793.7623  0.2556 -6.6646 3 1196.1962484  5951614046059 2 4    6058 3 4      C-13-H3C(O)CH3
  352800.1087  0.2066 -6.5341 3 1417.3695540  5951614046760 8 4    6759 9 4      C-13-H3C(O)CH3
  352811.2837  0.1960 -6.5341 3 1417.3935540  5951614046760 7 3    6759 8 3      C-13-H3C(O)CH3
  352832.4176  0.2696 -6.3633 3 1196.1997968  5951614046059 1 1    6058 2 1      C-13-H3C(O)CH3
  352834.4529  0.3096 -6.7000 3 1781.9909C40  595161404776215 2    776116 2      C-13-H3C(O)CH3
  352862.5918  0.2788 -6.6999 3 1781.9828C40  595161404776215 1    776116 1      C-13-H3C(O)CH3
  352869.5992  0.0099 -5.1414 3  403.3770744  59516140446 541 0    46 542 0      C-13-H3C(O)CH3
  352869.5992  0.0099 -5.1414 3  403.3770744  59516140446 641 0    46 442 0      C-13-H3C(O)CH3
  352869.5992  0.0099 -4.5758 3  403.3770744  59516140446 641 0    46 542 0      C-13-H3C(O)CH3
  352869.5992  0.0099 -4.5758 3  403.3770744  59516140446 541 0    46 442 0      C-13-H3C(O)CH3
  352873.3799  0.0195 -4.8734 3  348.3902356  59516140444 341 3    44 242 3      C-13-H3C(O)CH3
  352873.3799  0.0195 -4.8734 3  348.3902356  59516140444 441 3    44 342 3      C-13-H3C(O)CH3
  352873.3894  0.0204 -5.3630 3  348.3903356  59516140444 341 4    44 342 4      C-13-H3C(O)CH3
  352873.3894  0.0204 -5.0431 3  348.3903356  59516140444 441 4    44 342 4      C-13-H3C(O)CH3
  352873.3894  0.0204 -5.3630 3  348.3903356  59516140444 441 4    44 242 4      C-13-H3C(O)CH3
  352873.3894  0.0204 -5.0431 3  348.3903356  59516140444 341 4    44 242 4      C-13-H3C(O)CH3
  352888.7348  0.2498 -6.3632 3 1196.1785968  5951614046059 2 2    6058 3 2      C-13-H3C(O)CH3
  352913.0972  0.2570 -6.6643 3 1196.1999484  5951614046059 2 3    6058 3 3      C-13-H3C(O)CH3
  352960.0983  0.0139 -4.5073 3  375.5736728 -59516140445 541 2    45 442 2      C-13-H3C(O)CH3
  352960.0983  0.0139 -4.5073 3  375.5736728 -59516140445 441 2    45 342 2      C-13-H3C(O)CH3
  352960.3715  0.0154 -5.1353 3  375.5740728  59516140445 441 1    45 442 1      C-13-H3C(O)CH3
  352960.3715  0.0154 -5.1353 3  375.5740728  59516140445 541 1    45 342 1      C-13-H3C(O)CH3
  352960.3715  0.0154 -4.6235 3  375.5740728  59516140445 541 1    45 442 1      C-13-H3C(O)CH3
  352960.3715  0.0154 -4.6235 3  375.5740728  59516140445 441 1    45 342 1      C-13-H3C(O)CH3
  352981.9651  0.0157 -6.1423 3  613.2389776  595161404482424 0    472721 0      C-13-H3C(O)CH3
  352983.4255  0.0188 -6.1420 3  613.2259776  595161404482424 1    472721 1      C-13-H3C(O)CH3
  352987.1769  0.3101 -6.6997 3 1781.9619C40  595161404776216 2    776117 2      C-13-H3C(O)CH3
  352995.1900  0.3410 -6.6997 3 1782.0090C40  595161404776216 0    776117 0      C-13-H3C(O)CH3
  352995.1900  0.3410 -6.6997 3 1782.0090C40  595161404776215 0    776116 0      C-13-H3C(O)CH3
  353001.6281  0.0170 -5.8526 3  494.0219696  595161404432321 0    422418 0      C-13-H3C(O)CH3
  353008.0792  0.2999 -6.3630 3 1196.1821968  5951614046059 1 2    6058 2 2      C-13-H3C(O)CH3
  353029.9242  0.0220 -6.4411 3  613.2095388  595161404482424 3    472721 3      C-13-H3C(O)CH3
  353030.4244  0.0207 -6.1403 3  613.2224776  595161404482424 2    472721 2      C-13-H3C(O)CH3
  353032.4004  0.0222 -6.4411 3  613.2094388  595161404482424 4    472721 4      C-13-H3C(O)CH3
  353055.3797  0.0185 -5.8525 3  493.9996696  595161404432321 1    422418 1      C-13-H3C(O)CH3
  353068.1887  0.2428 -6.6642 3 1196.2310484  5951614046059 1 3    6058 2 3      C-13-H3C(O)CH3
  353072.5796  0.0171 -6.4734 3  100.4533312  5951614041915 5 2    1814 4 2      C-13-H3C(O)CH3
  353078.0511  0.3027 -6.6995 3 1781.9585C40  595161404776216 1    776117 1      C-13-H3C(O)CH3
  353105.8819  0.0249 -5.4398 3  321.7901348  59516140443 241 3    43 242 3      C-13-H3C(O)CH3
  353105.8819  0.0249 -5.1263 3  321.7901348  59516140443 341 3    43 242 3      C-13-H3C(O)CH3
  353105.8819  0.0249 -5.5582 3  321.7901348  59516140443 341 3    43 142 3      C-13-H3C(O)CH3
  353105.8819  0.0249 -5.1798 3  321.7901348  59516140443 241 3    43 142 3      C-13-H3C(O)CH3
  353106.2519  0.0258 -5.4424 3  321.7902348  59516140443 341 4    43 242 4      C-13-H3C(O)CH3
  353106.2519  0.0258 -5.1784 3  321.7902348  59516140443 341 4    43 142 4      C-13-H3C(O)CH3
  353106.2519  0.0258 -5.1784 3  321.7902348  59516140443 241 4    43 242 4      C-13-H3C(O)CH3
  353106.2519  0.0258 -5.4424 3  321.7902348  59516140443 241 4    43 142 4      C-13-H3C(O)CH3
  353117.3919  0.0219 -5.1806 3  916.2059A00  595161404622042 0    621943 0      C-13-H3C(O)CH3
  353117.3919  0.0219 -5.3867 3  916.2059A00  595161404622142 0    621943 0      C-13-H3C(O)CH3
  353117.3919  0.0219 -5.1806 3  916.2059A00  595161404622142 0    622043 0      C-13-H3C(O)CH3
  353117.3919  0.0219 -5.3867 3  916.2059A00  595161404622042 0    622043 0      C-13-H3C(O)CH3
  353188.7057  0.2985 -6.6639 3 1196.2346484  5951614046059 1 4    6058 2 4      C-13-H3C(O)CH3
  353189.9842  0.0257 -5.9168 3  916.2054A00  595161404622042 1    622043 1      C-13-H3C(O)CH3
  353189.9842  0.0257 -5.9168 3  916.2054A00  595161404622142 1    621943 1      C-13-H3C(O)CH3
  353189.9842  0.0257 -5.0224 3  916.2054A00  595161404622042 1    621943 1      C-13-H3C(O)CH3
  353189.9842  0.0257 -5.0224 3  916.2054A00  595161404622142 1    622043 1      C-13-H3C(O)CH3
  353192.8025  0.0281 -5.7169 3  916.2055A00  595161404622042 2    621943 2      C-13-H3C(O)CH3
  353192.8025  0.0281 -5.0560 3  916.2055A00  595161404622042 2    622043 2      C-13-H3C(O)CH3
  353192.8025  0.0281 -5.7169 3  916.2055A00  595161404622142 2    622043 2      C-13-H3C(O)CH3
  353192.8025  0.0281 -5.0560 3  916.2055A00  595161404622142 2    621943 2      C-13-H3C(O)CH3
  353209.3246  0.1910 -6.7287 3 1593.4965580  595161404726111 4    726012 4      C-13-H3C(O)CH3
  353238.5896  0.2429 -6.4276 3 1593.5104B60  595161404726111 2    726012 2      C-13-H3C(O)CH3
  353251.6737  0.0037 -3.7195 3   97.8538148  5951614041817 1 4    1716 1 4      C-13-H3C(O)CH3
  353265.4997  0.0237 -5.2989 3  916.2050500  595161404622142 3    622043 3      C-13-H3C(O)CH3
  353265.4997  0.0237 -6.4776 3  916.2050500  595161404622042 3    622043 3      C-13-H3C(O)CH3
  353265.4997  0.0237 -5.2989 3  916.2050500  595161404622042 3    621943 3      C-13-H3C(O)CH3
  353265.4997  0.0237 -6.4776 3  916.2050500  595161404622142 3    621943 3      C-13-H3C(O)CH3
  353265.6634  0.0238 -5.7942 3  916.2050500  595161404622042 4    622043 4      C-13-H3C(O)CH3
  353265.6634  0.0238 -5.7942 3  916.2050500  595161404622142 4    621943 4      C-13-H3C(O)CH3
  353265.6634  0.0238 -5.4259 3  916.2050500  595161404622042 4    621943 4      C-13-H3C(O)CH3
  353265.6634  0.0238 -5.4259 3  916.2050500  595161404622142 4    622043 4      C-13-H3C(O)CH3
  353301.1788  0.0279 -5.8494 3  493.9878696  595161404432321 2    422418 2      C-13-H3C(O)CH3
  353301.8512  0.0203 -5.4493 3  348.3629712  59516140444 341 2    44 242 2      C-13-H3C(O)CH3
  353301.8512  0.0203 -4.6323 3  348.3629712  59516140444 341 2    44 342 2      C-13-H3C(O)CH3
  353301.8512  0.0203 -5.4493 3  348.3629712  59516140444 441 2    44 342 2      C-13-H3C(O)CH3
  353301.8512  0.0203 -4.6323 3  348.3629712  59516140444 441 2    44 242 2      C-13-H3C(O)CH3
  353302.3426  0.0221 -4.5809 3  348.3633712  59516140444 341 1    44 342 1      C-13-H3C(O)CH3
  353302.3426  0.0221 -4.5809 3  348.3633712  59516140444 441 1    44 242 1      C-13-H3C(O)CH3
  353302.3426  0.0221 -6.2124 3  348.3633712  59516140444 441 1    44 342 1      C-13-H3C(O)CH3
  353302.3426  0.0221 -6.2124 3  348.3633712  59516140444 341 1    44 242 1      C-13-H3C(O)CH3
  353302.7485  0.0129 -4.7247 3  375.5622728  59516140445 541 0    45 342 0      C-13-H3C(O)CH3
  353302.7485  0.0129 -4.9083 3  375.5622728  59516140445 541 0    45 442 0      C-13-H3C(O)CH3
  353302.7485  0.0129 -4.9083 3  375.5622728  59516140445 441 0    45 342 0      C-13-H3C(O)CH3
  353302.7485  0.0129 -4.7247 3  375.5622728  59516140445 441 0    45 442 0      C-13-H3C(O)CH3
  353309.9844  0.0202 -5.5864 3  433.6571616  5951614043831 8 0    3732 5 0      C-13-H3C(O)CH3
  353309.9854  0.0202 -5.5864 3  433.6571616  5951614043831 7 0    3732 6 0      C-13-H3C(O)CH3
  353314.9700  0.0318 -6.1567 3  295.7862340  59516140442 241 3    42 142 3      C-13-H3C(O)CH3
  353314.9700  0.0318 -6.1567 3  295.7862340  59516140442 141 3    42 042 3      C-13-H3C(O)CH3
  353314.9700  0.0318 -5.2871 3  295.7862340  59516140442 141 3    42 142 3      C-13-H3C(O)CH3
  353314.9700  0.0318 -5.2871 3  295.7862340  59516140442 241 3    42 042 3      C-13-H3C(O)CH3
  353315.8733  0.0327 -5.2358 3  295.7862340  59516140442 141 4    42 142 4      C-13-H3C(O)CH3
  353315.8733  0.0327 -5.2358 3  295.7862340  59516140442 241 4    42 042 4      C-13-H3C(O)CH3
  353326.7094  0.0035 -3.7193 3   97.7760148  5951614041817 2 3    1716 1 3      C-13-H3C(O)CH3
  353326.7141  0.2375 -6.4275 3 1593.5096B60  595161404726111 1    726012 1      C-13-H3C(O)CH3
  353337.5671  0.2727 -6.6023 3 1168.1795952  5951614045959 1 1    5958 2 1      C-13-H3C(O)CH3
  353337.7191  0.2009 -6.7284 3 1593.4734580  595161404726111 3    726012 3      C-13-H3C(O)CH3
  353344.4887  0.0199 -5.5871 3  433.6403616  5951614043831 7 1    3732 5 1      C-13-H3C(O)CH3
  353349.2612  0.0295 -6.1504 3  493.9656348  595161404432321 4    422418 4      C-13-H3C(O)CH3
  353355.5736  0.3240 -6.4274 3 1593.5236B60  595161404726112 0    726012 0      C-13-H3C(O)CH3
  353355.5736  0.3240 -6.4274 3 1593.5236B60  595161404726111 0    726013 0      C-13-H3C(O)CH3
  353356.9688  0.0299 -6.1503 3  493.9654348  595161404432321 3    422418 3      C-13-H3C(O)CH3
  353379.2309  0.0037 -3.7191 3   97.7758148  5951614041817 1 3    1716 2 3      C-13-H3C(O)CH3
  353384.5690  0.2203 -6.7284 3 1593.4665580  595161404726112 3    726013 3      C-13-H3C(O)CH3
  353413.6793  0.2565 -6.4273 3 1593.4804B60  595161404726112 2    726013 2      C-13-H3C(O)CH3
  353446.1071  0.1446 -6.5749 3 1659.5184644  595161404803744 4    803645 4      C-13-H3C(O)CH3
  353446.1071  0.1446 -6.5749 3 1659.5184644  595161404803644 4    803545 4      C-13-H3C(O)CH3
  353446.1742  0.1446 -6.5747 3 1659.5183644  595161404803744 3    803645 3      C-13-H3C(O)CH3
  353446.1742  0.1446 -6.5747 3 1659.5183644  595161404803644 3    803545 3      C-13-H3C(O)CH3
  353454.0052  0.0035 -3.7188 3   97.6981148 -5951614041817 2 4    1716 2 4      C-13-H3C(O)CH3
  353454.5498  0.2409 -6.4272 3 1593.4865B60  595161404726112 1    726013 1      C-13-H3C(O)CH3
  353474.5195  0.3278 -6.6019 3 1168.1579952  5951614045959 0 0    5958 1 0      C-13-H3C(O)CH3
  353474.5195  0.3278 -6.6019 3 1168.1579952  5951614045959 1 0    5958 2 0      C-13-H3C(O)CH3
  353482.3963  0.1563 -6.2751 3 1659.5100C88  595161404803744 2    803645 2      C-13-H3C(O)CH3
  353482.3963  0.1563 -6.2757 3 1659.5100C88  595161404803644 2    803545 2      C-13-H3C(O)CH3
  353483.1430  0.1690 -6.2736 3 1659.5069C88  595161404803644 1    803545 1      C-13-H3C(O)CH3
  353483.1430  0.1690 -6.2736 3 1659.5069C88  595161404803744 1    803645 1      C-13-H3C(O)CH3
  353505.1407  0.0192 -6.5995 3  246.4012236  5951614042923 6 3    2920 9 3      C-13-H3C(O)CH3
  353506.7080  0.0033 -3.4178 3   97.8264296 -5951614041817 1 1    1716 1 1      C-13-H3C(O)CH3
  353512.3517  0.2384 -6.7281 3 1593.4434580  595161404726112 4    726013 4      C-13-H3C(O)CH3
  353519.3188  0.1715 -6.2736 3 1659.4986C88  595161404803744 0    803645 0      C-13-H3C(O)CH3
  353519.3188  0.1715 -6.2736 3 1659.4986C88  595161404803644 0    803545 0      C-13-H3C(O)CH3
  353551.9141  0.0033 -3.4176 3   97.8386296 -5951614041817 1 2    1716 1 2      C-13-H3C(O)CH3
  353595.8827  0.0021 -4.9707 3  199.4723252  59516140431 725 4    30 624 4      C-13-H3C(O)CH3
  353595.8827  0.0021 -3.7803 3  199.4723252  59516140431 625 4    30 624 4      C-13-H3C(O)CH3
  353595.8853  0.0021 -4.8824 3  199.4723252 -59516140431 625 3    30 624 3      C-13-H3C(O)CH3
  353595.8853  0.0021 -3.7609 3  199.4723252 -59516140431 725 4    30 724 4      C-13-H3C(O)CH3
  353595.8853  0.0021 -5.5084 3  199.4723252 -59516140431 625 4    30 724 4      C-13-H3C(O)CH3
  353595.8853  0.0021 -3.7867 3  199.4723252 -59516140431 725 3    30 624 3      C-13-H3C(O)CH3
  353595.9086  0.0021 -4.8824 3  199.4723252  59516140431 725 3    30 724 3      C-13-H3C(O)CH3
  353595.9086  0.0021 -3.7867 3  199.4723252  59516140431 625 3    30 724 3      C-13-H3C(O)CH3
  353599.3975  0.0214 -5.5860 3  433.6050616  5951614043831 8 1    3732 6 1      C-13-H3C(O)CH3
  353626.1268  0.0035 -3.4174 3   97.7608296 -5951614041817 2 2    1716 2 2      C-13-H3C(O)CH3
  353629.4129  0.0300 -4.9715 3  321.7444696  59516140443 341 2    43 142 2      C-13-H3C(O)CH3
  353629.4129  0.0300 -5.0047 3  321.7444696  59516140443 341 2    43 242 2      C-13-H3C(O)CH3
  353629.4129  0.0300 -5.0047 3  321.7444696  59516140443 241 2    43 142 2      C-13-H3C(O)CH3
  353629.4129  0.0300 -4.9715 3  321.7444696  59516140443 241 2    43 242 2      C-13-H3C(O)CH3
  353629.9818  0.0319 -4.6875 3  321.7448696  59516140443 341 1    43 142 1      C-13-H3C(O)CH3
  353629.9818  0.0319 -4.6875 3  321.7448696  59516140443 241 1    43 242 1      C-13-H3C(O)CH3
  353630.5128  0.0199 -5.5862 3  433.6390616  5951614043831 7 2    3732 5 2      C-13-H3C(O)CH3
  353633.4348  0.0034 -3.4173 3   97.7485296 -5951614041817 2 1    1716 2 1      C-13-H3C(O)CH3
  353644.4838  0.0619 -6.4041 3 1307.7033580  595161404723043 3    722944 3      C-13-H3C(O)CH3
  353644.4838  0.0619 -6.4041 3 1307.7033580  595161404722943 3    722844 3      C-13-H3C(O)CH3
  353644.4838  0.0619 -6.1118 3 1307.7033580  595161404723043 3    722844 3      C-13-H3C(O)CH3
  353644.4838  0.0619 -6.1118 3 1307.7033580  595161404722943 3    722944 3      C-13-H3C(O)CH3
  353644.5037  0.0620 -5.9482 3 1307.7033580  595161404722943 4    722844 4      C-13-H3C(O)CH3
  353644.5037  0.0620 -5.9482 3 1307.7033580  595161404723043 4    722944 4      C-13-H3C(O)CH3
  353648.8980  0.0025 -5.4485 3  199.4665504 -59516140431 625 1    30 624 1      C-13-H3C(O)CH3
  353648.8980  0.0025 -3.4564 3  199.4665504 -59516140431 725 1    30 624 1      C-13-H3C(O)CH3
  353648.9342  0.0025 -3.4564 3  199.4665504  59516140431 625 1    30 724 1      C-13-H3C(O)CH3
  353648.9342  0.0025 -5.4485 3  199.4665504  59516140431 725 1    30 724 1      C-13-H3C(O)CH3
  353649.6846  0.0025 -3.5529 3  199.4657504  59516140431 725 2    30 724 2      C-13-H3C(O)CH3
  353649.6846  0.0025 -4.1358 3  199.4657504  59516140431 625 2    30 724 2      C-13-H3C(O)CH3
  353649.6980  0.0025 -3.5529 3  199.4657504 -59516140431 625 2    30 624 2      C-13-H3C(O)CH3
  353649.6980  0.0025 -4.1358 3  199.4657504 -59516140431 725 2    30 624 2      C-13-H3C(O)CH3
  353650.7808  0.0588 -5.6696 3 1307.6823B60  595161404723043 1    722844 1      C-13-H3C(O)CH3
  353650.7808  0.0588 -5.6696 3 1307.6823B60  595161404722943 1    722944 1      C-13-H3C(O)CH3
  353650.7808  0.0588 -6.7104 3 1307.6823B60  595161404722943 1    722844 1      C-13-H3C(O)CH3
  353650.7808  0.0588 -6.7104 3 1307.6823B60  595161404723043 1    722944 1      C-13-H3C(O)CH3
  353655.2030  0.0623 -5.6470 3 1307.6842B60  595161404723043 2    722844 2      C-13-H3C(O)CH3
  353655.2030  0.0623 -5.6470 3 1307.6842B60  595161404722943 2    722944 2      C-13-H3C(O)CH3
  353656.0063  0.2956 -6.6018 3 1168.2184952  5951614045959 0 1    5958 1 1      C-13-H3C(O)CH3
  353661.5323  0.0594 -6.2219 3 1307.6632B60  595161404722943 0    722944 0      C-13-H3C(O)CH3
  353661.5323  0.0594 -5.7606 3 1307.6632B60  595161404722943 0    722844 0      C-13-H3C(O)CH3
  353661.5323  0.0594 -5.7606 3 1307.6632B60  595161404723043 0    722944 0      C-13-H3C(O)CH3
  353661.5323  0.0594 -6.2219 3 1307.6632B60  595161404723043 0    722844 0      C-13-H3C(O)CH3
  353661.6323  0.0200 -5.5850 3  433.6217616  5951614043831 8 2    3732 6 2      C-13-H3C(O)CH3
  353664.6375  0.0229 -5.8879 3  433.6221308  5951614043831 7 4    3732 5 4      C-13-H3C(O)CH3
  353694.1600  0.0223 -5.8868 3  433.6049308  5951614043831 7 3    3732 5 3      C-13-H3C(O)CH3
  353702.4911  0.2682 -6.6018 3 1168.2007952  5951614045959 1 2    5958 2 2      C-13-H3C(O)CH3
  353702.5922  0.0021 -3.5101 3  199.4600504  59516140431 625 0    30 724 0      C-13-H3C(O)CH3
  353702.5922  0.0021 -3.5101 3  199.4600504  59516140431 725 0    30 624 0      C-13-H3C(O)CH3
  353702.5943  0.0021 -4.3543 3  199.4600504 -59516140431 625 0    30 624 0      C-13-H3C(O)CH3
  353702.5943  0.0021 -4.3543 3  199.4600504 -59516140431 725 0    30 724 0      C-13-H3C(O)CH3
  353716.7053  0.2840 -6.2215 3 1385.9977A64  5951614046660 6 0    6659 7 0      C-13-H3C(O)CH3
  353716.7053  0.2840 -6.2215 3 1385.9977A64  5951614046660 7 0    6659 8 0      C-13-H3C(O)CH3
  353729.9225  0.0189 -6.0562 3  348.3361712  59516140444 341 0    44 242 0      C-13-H3C(O)CH3
  353729.9225  0.0189 -4.5838 3  348.3361712  59516140444 441 0    44 242 0      C-13-H3C(O)CH3
  353729.9225  0.0189 -4.5838 3  348.3361712  59516140444 341 0    44 342 0      C-13-H3C(O)CH3
  353729.9225  0.0189 -6.0562 3  348.3361712  59516140444 441 0    44 342 0      C-13-H3C(O)CH3
  353761.3937  0.2157 -6.2215 3 1385.9867A64  5951614046660 7 1    6659 8 1      C-13-H3C(O)CH3
  353764.4505  0.0206 -6.3316 3  689.3627824  595161404512526 0    502823 0      C-13-H3C(O)CH3
  353780.0951  0.2358 -6.2214 3 1385.9985A64  5951614046660 6 2    6659 7 2      C-13-H3C(O)CH3
  353793.1306  0.0241 -6.3309 3  689.3547824  595161404512526 1    502823 1      C-13-H3C(O)CH3
  353796.1834  0.0086 -6.8215 3  142.4249376  5951614042315 8 2    231013 2      C-13-H3C(O)CH3
  353802.7207  0.0215 -6.6211 3  246.4239472  5951614042923 7 2    2920 9 2      C-13-H3C(O)CH3
  353806.2863  0.0036 -3.4169 3   97.8112296 -5951614041817 2 0    1716 1 0      C-13-H3C(O)CH3
  353806.2863  0.0036 -3.4169 3   97.8112296 -5951614041817 1 0    1716 2 0      C-13-H3C(O)CH3
  353814.0975  0.2226 -6.2215 3 1386.0115A64  5951614046660 6 1    6659 7 1      C-13-H3C(O)CH3
  353825.3980  0.1936 -6.5225 3 1385.9875532  5951614046660 7 3    6659 8 3      C-13-H3C(O)CH3
  353827.1266  0.0202 -5.1573 3  879.0354984  595161404612042 0    611943 0      C-13-H3C(O)CH3
  353827.1266  0.0202 -5.1573 3  879.0354984  595161404611942 0    611843 0      C-13-H3C(O)CH3
  353827.1266  0.0202 -5.2774 3  879.0354984  595161404612042 0    611843 0      C-13-H3C(O)CH3
  353827.1266  0.0202 -5.2774 3  879.0354984  595161404611942 0    611943 0      C-13-H3C(O)CH3
  353827.7355  0.0283 -6.3296 3  689.3525824  595161404512526 2    502823 2      C-13-H3C(O)CH3
  353855.6454  0.0304 -6.6299 3  689.3444412  595161404512526 3    502823 3      C-13-H3C(O)CH3
  353856.4587  0.0306 -6.6299 3  689.3444412  595161404512526 4    502823 4      C-13-H3C(O)CH3
  353877.1096  0.0214 -6.5119 3  246.4085236  5951614042923 6 4    2920 9 4      C-13-H3C(O)CH3
  353877.8009  0.2194 -6.5224 3 1386.0122532  5951614046660 6 4    6659 7 4      C-13-H3C(O)CH3
  353887.5529  0.2204 -6.2213 3 1385.9797A64  5951614046660 7 2    6659 8 2      C-13-H3C(O)CH3
  353895.2482  0.3308 -6.6014 3 1168.2030952  5951614045959 0 2    5958 1 2      C-13-H3C(O)CH3
  353899.4084  0.0085 -6.8246 3  142.4277376  5951614042315 8 1    231013 1      C-13-H3C(O)CH3
  353906.2482  0.0237 -4.9860 3  879.0309984  595161404612042 1    611943 1      C-13-H3C(O)CH3
  353906.2482  0.0237 -5.7165 3  879.0309984  595161404612042 1    611843 1      C-13-H3C(O)CH3
  353906.2482  0.0237 -4.9860 3  879.0309984  595161404611942 1    611843 1      C-13-H3C(O)CH3
  353906.2482  0.0237 -5.7165 3  879.0309984  595161404611942 1    611943 1      C-13-H3C(O)CH3
  353908.5739  0.0255 -6.0097 3  879.0308984  595161404611942 2    611943 2      C-13-H3C(O)CH3
  353908.5739  0.0255 -4.9481 3  879.0308984  595161404611942 2    611843 2      C-13-H3C(O)CH3
  353908.5739  0.0255 -4.9481 3  879.0308984  595161404612042 2    611943 2      C-13-H3C(O)CH3
  353908.5739  0.0255 -6.0097 3  879.0308984  595161404612042 2    611843 2      C-13-H3C(O)CH3
  353917.6683  0.0225 -5.8868 3  433.5869308  5951614043831 8 3    3732 6 3      C-13-H3C(O)CH3
  353917.8285  0.0080 -6.8154 3  142.4202376  5951614042315 8 0    231013 0      C-13-H3C(O)CH3
  353931.9667  0.2138 -6.5223 3 1385.9687532  5951614046660 7 4    6659 8 4      C-13-H3C(O)CH3
  353943.4033  0.0431 -6.5180 3  295.7188680  59516140442 141 2    42 042 2      C-13-H3C(O)CH3
  353943.4033  0.0431 -4.9402 3  295.7188680  59516140442 141 2    42 142 2      C-13-H3C(O)CH3
  353943.4033  0.0431 -6.5180 3  295.7188680  59516140442 241 2    42 142 2      C-13-H3C(O)CH3
  353943.4033  0.0431 -4.9402 3  295.7188680  59516140442 241 2    42 042 2      C-13-H3C(O)CH3
  353944.1639  0.0450 -4.9641 3  295.7192680  59516140442 141 1    42 142 1      C-13-H3C(O)CH3
  353944.1639  0.0450 -6.0399 3  295.7192680  59516140442 241 1    42 142 1      C-13-H3C(O)CH3
  353944.1639  0.0450 -4.9641 3  295.7192680  59516140442 241 1    42 042 1      C-13-H3C(O)CH3
  353944.1639  0.0450 -6.0399 3  295.7192680  59516140442 141 1    42 042 1      C-13-H3C(O)CH3
  353947.8179  0.0243 -5.8857 3  433.5695308  5951614043831 8 4    3732 6 4      C-13-H3C(O)CH3
  353985.2270  0.2028 -6.5223 3 1385.9935532  5951614046660 6 3    6659 7 3      C-13-H3C(O)CH3
  353987.8047  0.0219 -5.3724 3  879.0263492  595161404611942 3    611843 3      C-13-H3C(O)CH3
  353987.8047  0.0219 -5.7245 3  879.0263492  595161404611942 3    611943 3      C-13-H3C(O)CH3
  353987.8047  0.0219 -5.7245 3  879.0263492  595161404612042 3    611843 3      C-13-H3C(O)CH3
  353987.8047  0.0219 -5.3724 3  879.0263492  595161404612042 3    611943 3      C-13-H3C(O)CH3
  353987.9700  0.0219 -5.5930 3  879.0263492  595161404612042 4    611843 4      C-13-H3C(O)CH3
  353987.9700  0.0219 -5.5930 3  879.0263492  595161404611942 4    611943 4      C-13-H3C(O)CH3
  353987.9700  0.0219 -5.4467 3  879.0263492  595161404611942 4    611843 4      C-13-H3C(O)CH3
  353987.9700  0.0219 -5.4467 3  879.0263492  595161404612042 4    611943 4      C-13-H3C(O)CH3
  354021.7199  0.0155 -6.2419 3  246.4232472  5951614042923 6 1    2920 9 1      C-13-H3C(O)CH3
  354125.9200  0.0104 -6.6170 3  196.2451220  595161404271611 4    2617 9 4      C-13-H3C(O)CH3
  354152.3202  0.0283 -5.0992 3  321.6992696  59516140443 341 0    43 142 0      C-13-H3C(O)CH3
  354152.3202  0.0283 -5.0992 3  321.6992696  59516140443 241 0    43 242 0      C-13-H3C(O)CH3
  354152.3202  0.0283 -4.8966 3  321.6992696  59516140443 341 0    43 242 0      C-13-H3C(O)CH3
  354152.3202  0.0283 -4.8966 3  321.6992696  59516140443 241 0    43 142 0      C-13-H3C(O)CH3
  354225.9035  0.0090 -6.6967 3  196.2540440  595161404271611 1    2617 9 1      C-13-H3C(O)CH3
  354246.5613  0.0187 -6.5047 3  246.3540236  5951614042923 7 4    292010 4      C-13-H3C(O)CH3
  354292.3333  0.0331 -6.0689 3  457.6728332  595161404412318 3    402615 3      C-13-H3C(O)CH3
  354299.5633  0.2755 -6.8083 3 1943.9867D84  595161404864145 2    864046 2      C-13-H3C(O)CH3
  354299.5635  0.2755 -6.8083 3 1943.9867D84  595161404864245 2    864146 2      C-13-H3C(O)CH3
  354304.9325  0.2989 -6.8076 3 1943.9846D84  595161404864145 1    864046 1      C-13-H3C(O)CH3
  354304.9330  0.2989 -6.8076 3 1943.9846D84  595161404864245 1    864146 1      C-13-H3C(O)CH3
  354328.9833  0.3020 -6.8077 3 1943.9889D84  595161404864145 0    864046 0      C-13-H3C(O)CH3
  354328.9837  0.3020 -6.8077 3 1943.9889D84  595161404864245 0    864146 0      C-13-H3C(O)CH3
  354395.3509  0.0169 -6.3331 3  246.4239472  5951614042923 6 2    2920 9 2      C-13-H3C(O)CH3
  354425.6923  0.0298 -6.0775 3  457.6685332  595161404412318 4    402615 4      C-13-H3C(O)CH3
  354433.5122  0.0226 -5.0921 3  100.4258156  5951614041915 5 3    1814 4 3      C-13-H3C(O)CH3
  354442.7020  0.0155 -6.1514 3  246.4415472  5951614042923 6 0    2920 9 0      C-13-H3C(O)CH3
  354505.3122  0.0184 -4.9484 3  842.4430968  595161404601942 0    601843 0      C-13-H3C(O)CH3
  354505.3122  0.0184 -4.9484 3  842.4430968  595161404601842 0    601743 0      C-13-H3C(O)CH3
  354505.3122  0.0184 -5.5749 3  842.4430968  595161404601842 0    601843 0      C-13-H3C(O)CH3
  354505.3122  0.0184 -5.5749 3  842.4430968  595161404601942 0    601743 0      C-13-H3C(O)CH3
  354511.0707  0.0311 -5.7689 3  457.6877664  595161404412318 2    402615 2      C-13-H3C(O)CH3
  354550.1185  0.0051 -4.8032 3   60.9441132  59516140416 9 8 4    15 6 9 4      C-13-H3C(O)CH3
  354552.9805  0.2932 -6.6472 3 1745.6355C24  595161404766214 2    766115 2      C-13-H3C(O)CH3
  354558.8420  0.0037 -4.8032 3   60.9441132  59516140416 9 8 3    15 6 9 3      C-13-H3C(O)CH3
  354571.0219  0.0414 -6.2584 3  295.6520680  59516140442 141 0    42 142 0      C-13-H3C(O)CH3
  354571.0219  0.0414 -4.9477 3  295.6520680  59516140442 241 0    42 142 0      C-13-H3C(O)CH3
  354571.0219  0.0414 -4.9477 3  295.6520680  59516140442 141 0    42 042 0      C-13-H3C(O)CH3
  354571.0219  0.0414 -6.2584 3  295.6520680  59516140442 241 0    42 042 0      C-13-H3C(O)CH3
  354589.1498  0.0217 -4.8648 3  842.4343968  595161404601842 1    601843 1      C-13-H3C(O)CH3
  354589.1498  0.0217 -6.5538 3  842.4343968  595161404601942 1    601843 1      C-13-H3C(O)CH3
  354589.1498  0.0217 -4.8648 3  842.4343968  595161404601942 1    601743 1      C-13-H3C(O)CH3
  354589.1498  0.0217 -6.5538 3  842.4343968  595161404601842 1    601743 1      C-13-H3C(O)CH3
  354590.9792  0.0229 -5.5709 3  842.4342968  595161404601842 2    601843 2      C-13-H3C(O)CH3
  354590.9792  0.0229 -4.9490 3  842.4342968  595161404601842 2    601743 2      C-13-H3C(O)CH3
  354590.9792  0.0229 -4.9490 3  842.4342968  595161404601942 2    601843 2      C-13-H3C(O)CH3
  354590.9792  0.0229 -5.5709 3  842.4342968  595161404601942 2    601743 2      C-13-H3C(O)CH3
  354594.6509  0.0215 -6.3293 3  689.3351824  595161404512626 0    502723 0      C-13-H3C(O)CH3
  354603.8772  0.2739 -6.6472 3 1745.6285C24  595161404766214 1    766115 1      C-13-H3C(O)CH3
  354611.6381  0.0188 -6.5986 3  246.3615236  5951614042923 7 3    292010 3      C-13-H3C(O)CH3
  354655.1707  0.0238 -6.3285 3  689.3260824  595161404512626 1    502723 1      C-13-H3C(O)CH3
  354657.5145  0.2423 -6.3902 3 1559.6384B44  595161404716110 2    716011 2      C-13-H3C(O)CH3
  354657.9408  0.1949 -6.6912 3 1559.6279572  595161404716110 4    716011 4      C-13-H3C(O)CH3
  354658.7358  0.0021 -3.7533 3  204.0655260 -59516140432 627 4    31 526 4      C-13-H3C(O)CH3
  354658.7358  0.0021 -3.9963 3  204.0654260 -59516140432 527 3    31 626 3      C-13-H3C(O)CH3
  354658.7358  0.0021 -3.7533 3  204.0655260 -59516140432 527 4    31 626 4      C-13-H3C(O)CH3
  354658.7358  0.0021 -4.0496 3  204.0654260 -59516140432 627 3    31 626 3      C-13-H3C(O)CH3
  354658.7620  0.0021 -4.8674 3  204.0655260  59516140432 627 4    31 626 4      C-13-H3C(O)CH3
  354658.7620  0.0021 -4.8674 3  204.0655260  59516140432 527 4    31 526 4      C-13-H3C(O)CH3
  354658.7744  0.0021 -4.0496 3  204.0654260  59516140432 527 3    31 526 3      C-13-H3C(O)CH3
  354658.7744  0.0021 -3.9963 3  204.0654260  59516140432 627 3    31 526 3      C-13-H3C(O)CH3
  354674.9289  0.0203 -5.8531 3  842.4254484  595161404601942 3    601843 3      C-13-H3C(O)CH3
  354674.9289  0.0203 -5.2543 3  842.4254484  595161404601942 3    601743 3      C-13-H3C(O)CH3
  354674.9289  0.0203 -5.2543 3  842.4254484  595161404601842 3    601843 3      C-13-H3C(O)CH3
  354674.9289  0.0203 -5.8531 3  842.4254484  595161404601842 3    601743 3      C-13-H3C(O)CH3
  354675.0892  0.0204 -5.1568 3  842.4254484  595161404601942 4    601743 4      C-13-H3C(O)CH3
  354675.0892  0.0204 -5.1568 3  842.4254484  595161404601842 4    601843 4      C-13-H3C(O)CH3
  354677.9081  0.0027 -3.8664 3  100.4885156  5951614041915 4 4    1814 4 4      C-13-H3C(O)CH3
  354692.8856  0.0029 -3.8934 3  100.4258156 -5951614041915 4 3    1814 4 3      C-13-H3C(O)CH3
  354699.3892  0.0330 -6.3271 3  689.3235824  595161404512626 2    502723 2      C-13-H3C(O)CH3
  354706.8467  0.3550 -6.6470 3 1745.6540C24  595161404766214 0    766116 0      C-13-H3C(O)CH3
  354706.8467  0.3550 -6.6470 3 1745.6540C24  595161404766215 0    766115 0      C-13-H3C(O)CH3
  354707.8688  0.0025 -3.5592 3  204.0546520 -59516140432 627 1    31 526 1      C-13-H3C(O)CH3
  354707.8688  0.0025 -3.5592 3  204.0546520 -59516140432 527 1    31 626 1      C-13-H3C(O)CH3
  354707.8855  0.0025 -3.9818 3  204.0546520  59516140432 627 1    31 626 1      C-13-H3C(O)CH3
  354707.8855  0.0025 -3.9818 3  204.0546520  59516140432 527 1    31 526 1      C-13-H3C(O)CH3
  354708.3756  0.0025 -3.4325 3  204.0540520  59516140432 627 2    31 526 2      C-13-H3C(O)CH3
  354708.3756  0.0025 -3.4325 3  204.0540520  59516140432 527 2    31 626 2      C-13-H3C(O)CH3
  354708.3839  0.0025 -4.9686 3  204.0540520 -59516140432 627 2    31 626 2      C-13-H3C(O)CH3
  354708.3839  0.0025 -4.9686 3  204.0540520 -59516140432 527 2    31 526 2      C-13-H3C(O)CH3
  354716.4059  0.3066 -6.6469 3 1745.6066C24  595161404766215 2    766116 2      C-13-H3C(O)CH3
  354721.6870  0.0149 -6.2380 3  246.3772472  5951614042923 7 1    292010 1      C-13-H3C(O)CH3
  354724.0288  0.0514 -5.5933 3 1264.7589B44  595161404712943 1    712744 1      C-13-H3C(O)CH3
  354724.0288  0.0514 -6.6201 3 1264.7589B44  595161404712943 1    712844 1      C-13-H3C(O)CH3
  354724.0288  0.0514 -6.6201 3 1264.7589B44  595161404712843 1    712744 1      C-13-H3C(O)CH3
  354724.0288  0.0514 -5.5933 3 1264.7589B44  595161404712843 1    712844 1      C-13-H3C(O)CH3
  354725.6125  0.0554 -6.2900 3 1264.7796572  595161404712843 3    712744 3      C-13-H3C(O)CH3
  354725.6125  0.0554 -6.0543 3 1264.7796572  595161404712943 3    712744 3      C-13-H3C(O)CH3
  354725.6125  0.0554 -6.2900 3 1264.7796572  595161404712943 3    712844 3      C-13-H3C(O)CH3
  354725.6125  0.0554 -6.0543 3 1264.7796572  595161404712843 3    712844 3      C-13-H3C(O)CH3
  354725.6496  0.0555 -5.9019 3 1264.7797572  595161404712843 4    712744 4      C-13-H3C(O)CH3
  354725.6496  0.0555 -6.8480 3 1264.7797572  595161404712943 4    712744 4      C-13-H3C(O)CH3
  354725.6496  0.0555 -5.9019 3 1264.7797572  595161404712943 4    712844 4      C-13-H3C(O)CH3
  354725.6496  0.0555 -6.8480 3 1264.7797572  595161404712843 4    712844 4      C-13-H3C(O)CH3
  354725.8432  0.0031 -3.8931 3  100.4160156  5951614041915 5 3    1814 5 3      C-13-H3C(O)CH3
  354727.1700  0.0513 -5.6660 3 1264.7400B44  595161404712943 0    712744 0      C-13-H3C(O)CH3
  354727.1700  0.0513 -5.6660 3 1264.7400B44  595161404712843 0    712844 0      C-13-H3C(O)CH3
  354727.1700  0.0513 -6.1983 3 1264.7400B44  595161404712843 0    712744 0      C-13-H3C(O)CH3
  354727.1700  0.0513 -6.1983 3 1264.7400B44  595161404712943 0    712844 0      C-13-H3C(O)CH3
  354728.7117  0.0561 -5.9619 3 1264.7606B44  595161404712943 2    712744 2      C-13-H3C(O)CH3
  354728.7117  0.0561 -5.7698 3 1264.7606B44  595161404712943 2    712844 2      C-13-H3C(O)CH3
  354728.7117  0.0561 -5.7698 3 1264.7606B44  595161404712843 2    712744 2      C-13-H3C(O)CH3
  354728.7117  0.0561 -5.9619 3 1264.7606B44  595161404712843 2    712844 2      C-13-H3C(O)CH3
  354741.9631  0.0029 -3.8670 3  100.3532156  5951614041915 5 4    1814 5 4      C-13-H3C(O)CH3
  354746.1831  0.3260 -6.3900 3 1559.6508B44  595161404716110 0    716012 0      C-13-H3C(O)CH3
  354746.1831  0.3260 -6.3900 3 1559.6508B44  595161404716111 0    716011 0      C-13-H3C(O)CH3
  354746.9770  0.2385 -6.3901 3 1559.6404B44  595161404716110 1    716011 1      C-13-H3C(O)CH3
  354754.9987  0.1918 -6.6910 3 1559.6056572  595161404716110 3    716011 3      C-13-H3C(O)CH3
  354757.3612  0.0022 -4.0550 3  204.0432520 -59516140432 527 0    31 626 0      C-13-H3C(O)CH3
  354757.3612  0.0022 -4.0550 3  204.0432520 -59516140432 627 0    31 526 0      C-13-H3C(O)CH3
  354757.3758  0.0022 -3.5344 3  204.0432520  59516140432 627 0    31 626 0      C-13-H3C(O)CH3
  354757.3758  0.0022 -3.5344 3  204.0432520  59516140432 527 0    31 526 0      C-13-H3C(O)CH3
  354760.1530  0.0349 -6.6274 3  689.3144412  595161404512626 4    502723 4      C-13-H3C(O)CH3
  354760.9508  0.0347 -6.6274 3  689.3143412  595161404512626 3    502723 3      C-13-H3C(O)CH3
  354765.4590  0.0882 -6.0530 3  636.3464388  595161404482919 3    482622 3      C-13-H3C(O)CH3
  354776.2602  0.0041 -4.5014 3   60.9030264  59516140416 9 8 2    15 6 9 2      C-13-H3C(O)CH3
  354784.7157  0.2897 -6.2198 3 1355.0821A48  5951614046560 5 0    6559 6 0      C-13-H3C(O)CH3
  354784.7157  0.2897 -6.2198 3 1355.0821A48  5951614046560 6 0    6559 7 0      C-13-H3C(O)CH3
  354787.5266  0.0853 -6.0532 3  636.3464388  595161404482919 4    482622 4      C-13-H3C(O)CH3
  354797.6157  0.0039 -4.5014 3   60.9046264  59516140416 9 8 1    15 6 9 1      C-13-H3C(O)CH3
  354803.4554  0.2938 -6.6468 3 1745.6059C24  595161404766215 1    766116 1      C-13-H3C(O)CH3
  354805.5667  0.2247 -6.2198 3 1355.0762A48  5951614046560 6 1    6559 7 1      C-13-H3C(O)CH3
  354829.5860  0.2515 -6.3899 3 1559.6105B44  595161404716111 2    716012 2      C-13-H3C(O)CH3
  354830.1754  0.2145 -6.6909 3 1559.6000572  595161404716111 3    716012 3      C-13-H3C(O)CH3
  354843.4169  0.2376 -6.3899 3 1559.6181B44  595161404716111 1    716012 1      C-13-H3C(O)CH3
  354845.4197  0.0209 -5.7635 3  457.6862664  595161404412318 1    402615 1      C-13-H3C(O)CH3
  354884.9449  0.0025 -3.5651 3  100.4513312 -5951614041915 4 1    1814 4 1      C-13-H3C(O)CH3
  354888.1751  0.0291 -6.5225 3  769.7194872  595161404542628 0    532925 0      C-13-H3C(O)CH3
  354894.7189  0.1290 -6.4844 3 1612.0687636  595161404793644 4    793545 4      C-13-H3C(O)CH3
  354894.7189  0.1290 -6.4844 3 1612.0687636  595161404793544 4    793445 4      C-13-H3C(O)CH3
  354894.7793  0.1290 -6.4846 3 1612.0687636  595161404793644 3    793545 3      C-13-H3C(O)CH3
  354894.7793  0.1290 -6.4849 3 1612.0687636  595161404793544 3    793445 3      C-13-H3C(O)CH3
  354901.8870  0.2318 -6.2197 3 1355.1023A48  5951614046560 5 1    6559 6 1      C-13-H3C(O)CH3
  354901.9243  0.2479 -6.2197 3 1355.0874A48  5951614046560 5 2    6559 6 2      C-13-H3C(O)CH3
  354923.3816  0.2066 -6.5207 3 1355.0815524  5951614046560 6 3    6559 7 3      C-13-H3C(O)CH3
  354924.5607  0.0172 -6.3284 3  246.3865472  5951614042923 7 2    292010 2      C-13-H3C(O)CH3
  354926.5065  0.2261 -6.6907 3 1559.5777572  595161404716111 4    716012 4      C-13-H3C(O)CH3
  354926.9520  0.0025 -3.5652 3  100.3792312 -5951614041915 5 1    1814 5 1      C-13-H3C(O)CH3
  354927.7246  0.0325 -6.5215 3  769.7171872  595161404542628 1    532925 1      C-13-H3C(O)CH3
  354930.7802  0.1492 -6.1832 3 1612.0550C72  595161404793544 1    793445 1      C-13-H3C(O)CH3
  354930.7802  0.1492 -6.1832 3 1612.0550C72  595161404793644 1    793545 1      C-13-H3C(O)CH3
  354930.9107  0.1388 -6.2615 3 1612.0581C72  595161404793544 2    793445 2      C-13-H3C(O)CH3
  354930.9107  0.1388 -6.2615 3 1612.0581C72  595161404793644 2    793545 2      C-13-H3C(O)CH3
  354937.4088  0.0026 -3.5647 3  100.4533312 -5951614041915 4 2    1814 4 2      C-13-H3C(O)CH3
  354945.4355  0.0148 -5.8194 3  348.8833568  595161404352511 1    352214 1      C-13-H3C(O)CH3
  354947.0094  0.0379 -6.5205 3  769.7162872  595161404542628 2    532925 2      C-13-H3C(O)CH3
  354961.1502  0.0025 -3.5651 3  100.3903312 -5951614041915 5 2    1814 5 2      C-13-H3C(O)CH3
  354962.5032  0.0242 -6.3200 3  348.8598284  595161404352511 4    352214 4      C-13-H3C(O)CH3
  354966.8758  0.1516 -6.1835 3 1612.0445C72  595161404793544 0    793445 0      C-13-H3C(O)CH3
  354966.8758  0.1516 -6.1837 3 1612.0445C72  595161404793644 0    793545 0      C-13-H3C(O)CH3
  354974.5883  0.2273 -6.2196 3 1355.0718A48  5951614046560 6 2    6559 7 2      C-13-H3C(O)CH3
  354985.1628  0.0225 -5.0911 3  100.4160156  5951614041915 4 3    1814 5 3      C-13-H3C(O)CH3
  354986.3419  0.0404 -6.8206 3  769.7138436  595161404542628 3    532925 3      C-13-H3C(O)CH3
  354986.5778  0.0406 -6.8206 3  769.7138436  595161404542628 4    532925 4      C-13-H3C(O)CH3
  354995.1376  0.2245 -6.5207 3 1355.0658524  5951614046560 6 4    6559 7 4      C-13-H3C(O)CH3
  355000.7303  0.0222 -5.7599 3  457.7031664  595161404412318 0    402615 0      C-13-H3C(O)CH3
  355001.5440  0.0255 -6.3063 3  348.8599284  595161404352511 3    352214 3      C-13-H3C(O)CH3
  355019.0564  0.0041 -4.5006 3   60.8636264  59516140416 9 8 0    15 6 9 0      C-13-H3C(O)CH3
  355019.7417  0.2354 -6.5206 3 1355.1075524  5951614046560 5 4    6559 6 4      C-13-H3C(O)CH3
  355026.9193  0.0839 -5.7543 3  636.3593776  595161404482919 2    482622 2      C-13-H3C(O)CH3
  355074.1033  0.0061 -6.5887 3  144.9218196  595161404241113 3    24 816 3      C-13-H3C(O)CH3
  355074.6924  0.0080 -6.5887 3  144.9218196  595161404241113 4    24 816 4      C-13-H3C(O)CH3
  355076.7770  0.0293 -6.5220 3  769.7132872  595161404542728 0    532825 0      C-13-H3C(O)CH3
  355077.1228  0.1273 -6.6724 3  608.8163760  595161404472819 2    463116 2      C-13-H3C(O)CH3
  355079.4009  0.0025 -3.5636 3  100.4177312 -5951614041915 5 0    1814 4 0      C-13-H3C(O)CH3
  355092.1877  0.2122 -6.5206 3 1355.0920524  5951614046560 5 3    6559 6 3      C-13-H3C(O)CH3
  355126.7535  0.0322 -6.5209 3  769.7105872  595161404542728 1    532825 1      C-13-H3C(O)CH3
  355147.0294  0.0398 -6.5200 3  769.7095872  595161404542728 2    532825 2      C-13-H3C(O)CH3
  355154.0077  0.0167 -5.6073 3  806.4297952  595161404591742 0    591743 0      C-13-H3C(O)CH3
  355154.0077  0.0167 -5.6073 3  806.4297952  595161404591842 0    591643 0      C-13-H3C(O)CH3
  355154.0077  0.0167 -4.8769 3  806.4297952  595161404591842 0    591743 0      C-13-H3C(O)CH3
  355154.0077  0.0167 -4.8769 3  806.4297952  595161404591742 0    591643 0      C-13-H3C(O)CH3
  355156.0002  0.0092 -6.7253 3  187.1218212  5951614042618 8 3    261313 3      C-13-H3C(O)CH3
  355156.2434  0.0061 -6.5885 3  144.9218196  595161404241213 3    24 916 3      C-13-H3C(O)CH3
  355156.4100  0.0080 -6.5885 3  144.9218196  595161404241213 4    24 916 4      C-13-H3C(O)CH3
  355175.7628  0.0142 -5.7853 3  348.9041568  595161404352511 0    352214 0      C-13-H3C(O)CH3
  355197.2366  0.0422 -6.8200 3  769.7068436  595161404542728 4    532825 4      C-13-H3C(O)CH3
  355197.4571  0.0420 -6.8200 3  769.7068436  595161404542728 3    532825 3      C-13-H3C(O)CH3
  355208.5549  0.0206 -6.0141 3  348.8808568  595161404352511 2    352214 2      C-13-H3C(O)CH3
  355209.9911  0.0025 -3.5634 3  100.4146312 -5951614041915 4 0    1814 5 0      C-13-H3C(O)CH3
  355230.4839  0.0253 -6.5071 3  295.2557260  5951614043224 9 4    322112 4      C-13-H3C(O)CH3
  355240.2766  0.0197 -4.8716 3  806.4168952  595161404591742 1    591743 1      C-13-H3C(O)CH3
  355240.2766  0.0197 -5.6349 3  806.4168952  595161404591742 1    591643 1      C-13-H3C(O)CH3
  355240.2766  0.0197 -5.6349 3  806.4168952  595161404591842 1    591743 1      C-13-H3C(O)CH3
  355240.2766  0.0197 -4.8716 3  806.4168952  595161404591842 1    591643 1      C-13-H3C(O)CH3
  355241.6226  0.0204 -5.1477 3  806.4166952  595161404591742 2    591743 2      C-13-H3C(O)CH3
  355241.6226  0.0204 -4.8029 3  806.4166952  595161404591842 2    591643 2      C-13-H3C(O)CH3
  355241.6226  0.0204 -5.0636 3  806.4166952  595161404591842 2    591743 2      C-13-H3C(O)CH3
  355257.2234  0.0469 -5.7553 3  636.3628776  595161404482919 1    482622 1      C-13-H3C(O)CH3
  355277.7723  0.0060 -6.2852 3  144.9120392  595161404241113 2    24 816 2      C-13-H3C(O)CH3
  355315.6334  0.0224 -6.4833 3  295.2554260  5951614043224 9 3    322112 3      C-13-H3C(O)CH3
  355328.0048  0.0189 -6.6733 3  806.4037476  595161404591842 3    591743 3      C-13-H3C(O)CH3
  355328.0048  0.0189 -6.6733 3  806.4037476  595161404591742 3    591643 3      C-13-H3C(O)CH3
  355328.0048  0.0189 -5.1151 3  806.4037476  595161404591842 3    591643 3      C-13-H3C(O)CH3
  355328.0048  0.0189 -5.1151 3  806.4037476  595161404591742 3    591743 3      C-13-H3C(O)CH3
  355328.1523  0.0190 -5.1504 3  806.4036476  595161404591842 4    591743 4      C-13-H3C(O)CH3
  355328.1523  0.0190 -6.0912 3  806.4036476  595161404591742 4    591743 4      C-13-H3C(O)CH3
  355328.1523  0.0190 -5.1504 3  806.4036476  595161404591742 4    591643 4      C-13-H3C(O)CH3
  355328.1523  0.0190 -6.0912 3  806.4036476  595161404591842 4    591643 4      C-13-H3C(O)CH3
  355331.3801  0.0164 -6.1942 3  295.2764520  5951614043224 9 1    322112 1      C-13-H3C(O)CH3
  355331.6739  0.0060 -6.2853 3  144.9135392  595161404241113 1    24 816 1      C-13-H3C(O)CH3
  355362.4450  0.0060 -6.2850 3  144.9120392  595161404241213 2    24 916 2      C-13-H3C(O)CH3
  355387.8726  0.0273 -6.4886 3  348.8599284  595161404352510 3    352214 3      C-13-H3C(O)CH3
  355413.6066  0.0060 -6.2852 3  144.9135392  595161404241213 1    24 916 1      C-13-H3C(O)CH3
  355433.7695  0.0301 -6.4684 3  348.8598284  595161404352510 4    352214 4      C-13-H3C(O)CH3
  355501.2885  0.0152 -6.1493 3  246.4062472  5951614042923 7 0    292010 0      C-13-H3C(O)CH3
  355502.5288  0.0100 -6.4734 3  187.1308424  5951614042618 8 1    261313 1      C-13-H3C(O)CH3
  355514.1185  0.0469 -5.7575 3  636.3757776  595161404482919 0    482622 0      C-13-H3C(O)CH3
  355515.9240  0.0051 -4.7116 3  261.1476504  595161404311913 2    302010 2      C-13-H3C(O)CH3
  355517.1909  0.0207 -6.6215 3  246.3865472  5951614042923 6 2    292010 2      C-13-H3C(O)CH3
  355519.8503  0.0123 -5.3232 3  292.7483268  595161404331915 3    322012 3      C-13-H3C(O)CH3
  355534.7547  0.0058 -6.2825 3  144.9038392  595161404241113 0    24 816 0      C-13-H3C(O)CH3
  355540.4811  0.0093 -5.3228 3  292.7476268  595161404331915 4    322012 4      C-13-H3C(O)CH3
  355544.3175  0.0675 -6.6335 3  608.8134760  595161404472819 1    463116 1      C-13-H3C(O)CH3
  355544.6260  0.0059 -5.0196 3  261.1294252  595161404311913 4    302010 4      C-13-H3C(O)CH3
  355552.8303  0.0245 -6.5963 3  295.2554260  5951614043224 8 3    322112 3      C-13-H3C(O)CH3
  355563.0464  0.0086 -5.0235 3  292.7725536  595161404331915 1    322012 1      C-13-H3C(O)CH3
  355568.9916  0.0064 -5.0164 3  261.1287252  595161404311913 3    302010 3      C-13-H3C(O)CH3
  355592.7508  0.0173 -5.3803 3  403.9570600  5951614043729 9 0    3630 6 0      C-13-H3C(O)CH3
  355592.8056  0.0173 -5.3803 3  403.9570600  5951614043729 8 0    3630 7 0      C-13-H3C(O)CH3
  355592.8865  0.0046 -4.7117 3  261.1666504  595161404311913 0    302010 0      C-13-H3C(O)CH3
  355616.5906  0.0096 -6.4438 3  187.1258424  5951614042618 8 2    261313 2      C-13-H3C(O)CH3
  355619.3584  0.0058 -6.2824 3  144.9038392  595161404241213 0    24 916 0      C-13-H3C(O)CH3
  355623.0601  0.0241 -6.5669 3  295.2557260  5951614043224 8 4    322112 4      C-13-H3C(O)CH3
  355632.2290  0.0051 -4.7170 3  261.1482504  595161404311913 1    302010 1      C-13-H3C(O)CH3
  355638.5763  0.0247 -6.1764 3  348.8808568  595161404352510 2    352214 2      C-13-H3C(O)CH3
  355646.4069  0.0167 -6.2778 3  295.2764520  5951614043224 8 1    322112 1      C-13-H3C(O)CH3
  355646.9686  0.0090 -6.4086 3  187.1348424  5951614042618 8 0    261313 0      C-13-H3C(O)CH3
  355659.8706  0.0069 -6.4769 3   47.9059116  5951614041410 5 4    13 7 7 4      C-13-H3C(O)CH3
  355662.7496  0.0124 -6.8281 3  187.1219212  5951614042618 8 4    261313 4      C-13-H3C(O)CH3
  355713.2601  0.0176 -5.3807 3  403.9312600  5951614043729 8 1    3630 6 1      C-13-H3C(O)CH3
  355737.2189  0.0022 -3.9131 3  208.1135268 -59516140433 529 3    32 428 3      C-13-H3C(O)CH3
  355737.2189  0.0022 -3.7798 3  208.1135268 -59516140433 429 4    32 428 4      C-13-H3C(O)CH3
  355737.2189  0.0022 -4.4238 3  208.1135268 -59516140433 529 4    32 428 4      C-13-H3C(O)CH3
  355737.2189  0.0022 -3.9131 3  208.1135268 -59516140433 429 3    32 528 3      C-13-H3C(O)CH3
  355737.2305  0.0022 -4.0886 3  208.1135268  59516140433 429 3    32 428 3      C-13-H3C(O)CH3
  355737.2305  0.0022 -4.0886 3  208.1135268  59516140433 529 3    32 528 3      C-13-H3C(O)CH3
  355737.2315  0.0022 -4.4238 3  208.1135268  59516140433 429 4    32 528 4      C-13-H3C(O)CH3
  355737.2315  0.0022 -3.7798 3  208.1135268  59516140433 529 4    32 528 4      C-13-H3C(O)CH3
  355742.8669  0.0448 -6.7471 3 1222.3840B28  595161404702743 0    702644 0      C-13-H3C(O)CH3
  355742.8669  0.0448 -5.5026 3 1222.3840B28  595161404702843 0    702644 0      C-13-H3C(O)CH3
  355742.8669  0.0448 -6.7471 3 1222.3840B28  595161404702843 0    702744 0      C-13-H3C(O)CH3
  355742.8669  0.0448 -5.5026 3 1222.3840B28  595161404702743 0    702744 0      C-13-H3C(O)CH3
  355748.1910  0.0457 -6.2804 3 1222.4024B28  595161404702743 1    702744 1      C-13-H3C(O)CH3
  355748.1910  0.0457 -5.5532 3 1222.4024B28  595161404702743 1    702644 1      C-13-H3C(O)CH3
  355748.1910  0.0457 -5.5532 3 1222.4024B28  595161404702843 1    702744 1      C-13-H3C(O)CH3
  355748.1910  0.0457 -6.2804 3 1222.4024B28  595161404702843 1    702644 1      C-13-H3C(O)CH3
  355751.5160  0.0084 -5.0180 3  292.7603536  595161404331915 2    322012 2      C-13-H3C(O)CH3
  355753.0153  0.0512 -5.7838 3 1222.4039B28  595161404702843 2    702744 2      C-13-H3C(O)CH3
  355753.0153  0.0512 -5.7755 3 1222.4039B28  595161404702743 2    702744 2      C-13-H3C(O)CH3
  355753.0153  0.0512 -6.5975 3 1222.4039B28  595161404702743 2    702644 2      C-13-H3C(O)CH3
  355753.0153  0.0512 -5.5129 3 1222.4039B28  595161404702843 2    702644 2      C-13-H3C(O)CH3
  355758.3906  0.0498 -6.1508 3 1222.4224564  595161404702743 3    702744 3      C-13-H3C(O)CH3
  355758.3906  0.0498 -6.0203 3 1222.4224564  595161404702843 3    702744 3      C-13-H3C(O)CH3
  355758.3906  0.0498 -6.1508 3 1222.4224564  595161404702843 3    702644 3      C-13-H3C(O)CH3
  355758.3906  0.0498 -6.0203 3 1222.4224564  595161404702743 3    702644 3      C-13-H3C(O)CH3
  355758.4460  0.0498 -5.8671 3 1222.4224564  595161404702843 4    702744 4      C-13-H3C(O)CH3
  355758.4460  0.0498 -6.5184 3 1222.4224564  595161404702843 4    702644 4      C-13-H3C(O)CH3
  355758.4460  0.0498 -5.7909 3 1222.4224564  595161404702743 4    702744 4      C-13-H3C(O)CH3
  355775.2437  0.0149 -5.2944 3  770.9965936  595161404581642 0    581643 0      C-13-H3C(O)CH3
  355775.2437  0.0149 -4.8989 3  770.9965936  595161404581642 0    581543 0      C-13-H3C(O)CH3
  355775.2437  0.0149 -5.2944 3  770.9965936  595161404581742 0    581543 0      C-13-H3C(O)CH3
  355775.2437  0.0149 -4.8989 3  770.9965936  595161404581742 0    581643 0      C-13-H3C(O)CH3
  355781.5885  0.0026 -3.3933 3  208.0961536 -59516140433 529 1    32 428 1      C-13-H3C(O)CH3
  355781.5885  0.0026 -3.3933 3  208.0961536 -59516140433 429 1    32 528 1      C-13-H3C(O)CH3
  355781.6542  0.0026 -5.4883 3  208.0961536  59516140433 429 1    32 428 1      C-13-H3C(O)CH3
  355781.6542  0.0026 -5.4883 3  208.0961536  59516140433 529 1    32 528 1      C-13-H3C(O)CH3
  355781.9639  0.0026 -3.4129 3  208.0955536  59516140433 429 2    32 528 2      C-13-H3C(O)CH3
  355781.9639  0.0026 -4.6767 3  208.0955536  59516140433 529 2    32 528 2      C-13-H3C(O)CH3
  355781.9903  0.0026 -4.6767 3  208.0955536 -59516140433 429 2    32 428 2      C-13-H3C(O)CH3
  355781.9903  0.0026 -3.4129 3  208.0955536 -59516140433 529 2    32 428 2      C-13-H3C(O)CH3
  355783.0568  0.0067 -5.0196 3  292.7848536  595161404331915 0    322012 0      C-13-H3C(O)CH3
  355788.7010  0.2367 -6.2315 3 1324.6610A32  5951614046460 5 1    6459 6 1      C-13-H3C(O)CH3
  355796.5836  0.2995 -6.2314 3 1324.6621A32  5951614046460 5 0    6459 6 0      C-13-H3C(O)CH3
  355796.5836  0.2995 -6.2314 3 1324.6621A32  5951614046460 4 0    6459 5 0      C-13-H3C(O)CH3
  355819.5301  0.0208 -6.2079 3  295.2779520  5951614043224 9 2    322112 2      C-13-H3C(O)CH3
  355826.2669  0.0022 -3.3906 3  208.0782536 -59516140433 529 0    32 428 0      C-13-H3C(O)CH3
  355826.2669  0.0022 -6.1369 3  208.0782536 -59516140433 429 0    32 428 0      C-13-H3C(O)CH3
  355826.2845  0.0022 -3.3906 3  208.0782536  59516140433 429 0    32 528 0      C-13-H3C(O)CH3
  355826.2845  0.0022 -6.1369 3  208.0782536  59516140433 529 0    32 528 0      C-13-H3C(O)CH3
  355841.9701  0.0167 -5.3790 3  403.9267600  5951614043729 9 2    3630 7 2      C-13-H3C(O)CH3
  355861.1557  0.0177 -4.7700 3  770.9794936  595161404581742 1    581543 1      C-13-H3C(O)CH3
  355861.1557  0.0177 -4.7700 3  770.9794936  595161404581642 1    581643 1      C-13-H3C(O)CH3
  355861.1557  0.0177 -6.1384 3  770.9794936  595161404581642 1    581543 1      C-13-H3C(O)CH3
  355861.1557  0.0177 -6.1384 3  770.9794936  595161404581742 1    581643 1      C-13-H3C(O)CH3
  355862.0469  0.0181 -4.7518 3  770.9792936  595161404581642 2    581543 2      C-13-H3C(O)CH3
  355862.0469  0.0181 -4.7518 3  770.9792936  595161404581742 2    581643 2      C-13-H3C(O)CH3
  355887.9830  0.0176 -5.3797 3  403.9078600  5951614043729 9 1    3630 7 1      C-13-H3C(O)CH3
  355894.3373  0.0082 -5.8203 3  257.8547504  595161404311814 2    311517 2      C-13-H3C(O)CH3
  355897.5325  0.0191 -6.2670 3  295.2779520  5951614043224 8 2    322112 2      C-13-H3C(O)CH3
  355912.0405  0.0141 -5.9343 3  295.2985520  5951614043224 9 0    322112 0      C-13-H3C(O)CH3
  355925.3588  0.0091 -6.1223 3  257.8369252  595161404311814 4    311517 4      C-13-H3C(O)CH3
  355926.4635  0.0084 -6.1223 3  257.8369252  595161404311814 3    311517 3      C-13-H3C(O)CH3
  355927.4889  0.0148 -5.6541 3  426.2126632  595161404392614 0    392317 0      C-13-H3C(O)CH3
  355929.7489  0.2444 -6.2313 3 1324.6893A32  5951614046460 4 1    6459 5 1      C-13-H3C(O)CH3
  355933.6942  0.0077 -5.8192 3  257.8758504  595161404311814 0    311517 0      C-13-H3C(O)CH3
  355938.7756  0.0174 -5.3797 3  403.9381600  5951614043729 8 2    3630 6 2      C-13-H3C(O)CH3
  355948.0708  0.0177 -5.5572 3  770.9621468  595161404581642 3    581543 3      C-13-H3C(O)CH3
  355948.0708  0.0177 -5.2155 3  770.9621468  595161404581742 3    581543 3      C-13-H3C(O)CH3
  355948.0708  0.0177 -5.0751 3  770.9621468  595161404581742 3    581643 3      C-13-H3C(O)CH3
  355948.0708  0.0177 -6.3473 3  770.9621468  595161404581642 3    581643 3      C-13-H3C(O)CH3
  355948.1963  0.0177 -6.2881 3  770.9621468  595161404581742 4    581643 4      C-13-H3C(O)CH3
  355948.1963  0.0177 -6.2881 3  770.9621468  595161404581642 4    581543 4      C-13-H3C(O)CH3
  355948.1963  0.0177 -5.0785 3  770.9621468  595161404581642 4    581643 4      C-13-H3C(O)CH3
  355948.1963  0.0177 -5.0785 3  770.9621468  595161404581742 4    581543 4      C-13-H3C(O)CH3
  355959.5868  0.0188 -5.6805 3  403.9008300  5951614043729 8 3    3630 6 3      C-13-H3C(O)CH3
  355963.8553  0.2216 -6.5323 3 1324.6720516  5951614046460 5 3    6459 6 3      C-13-H3C(O)CH3
  355965.5432  0.0082 -5.8204 3  257.8581504  595161404311814 1    311517 1      C-13-H3C(O)CH3
  355971.2176  0.2637 -6.2312 3 1324.6731A32  5951614046460 4 2    6459 5 2      C-13-H3C(O)CH3
  355988.3411  0.0144 -5.6622 3  426.1915632  595161404392614 1    392317 1      C-13-H3C(O)CH3
  355990.5794  0.0034 -4.1548 3  162.9318204 -595161404251312 3    241411 3      C-13-H3C(O)CH3
  355992.5611  0.2375 -6.5323 3 1324.6591516  5951614046460 5 4    6459 6 4      C-13-H3C(O)CH3
  355994.7743  0.0751 -6.4759 3  608.8215760  595161404472819 0    463116 0      C-13-H3C(O)CH3
  356000.7677  0.2377 -6.2312 3 1324.6603A32  5951614046460 5 2    6459 6 2      C-13-H3C(O)CH3
  356001.6958  0.0030 -4.1547 3  162.9316204 -595161404251312 4    241411 4      C-13-H3C(O)CH3
  356007.1968  0.2447 -6.3575 3 1526.2698B28  5951614047061 9 2    706010 2      C-13-H3C(O)CH3
  356030.1090  0.0029 -3.8550 3  162.9302408 -595161404251312 2    241411 2      C-13-H3C(O)CH3
  356035.6394  0.2043 -6.6586 3 1526.2635564  5951614047061 9 4    706010 4      C-13-H3C(O)CH3
  356057.3100  0.0205 -5.6812 3  403.9122300  5951614043729 8 4    3630 6 4      C-13-H3C(O)CH3
  356061.8988  0.3265 -6.3574 3 1526.2809B28  595161404706110 0    706011 0      C-13-H3C(O)CH3
  356061.8988  0.3265 -6.3574 3 1526.2809B28  5951614047061 9 0    706010 0      C-13-H3C(O)CH3
  356073.1122  0.2504 -6.7092 3 1893.1757D68  595161404854045 2    853946 2      C-13-H3C(O)CH3
  356073.1123  0.2504 -6.7092 3 1893.1757D68  595161404854145 2    854046 2      C-13-H3C(O)CH3
  356078.0228  0.2730 -6.7083 3 1893.1732D68  595161404854045 1    853946 1      C-13-H3C(O)CH3
  356078.0230  0.2730 -6.7083 3 1893.1732D68  595161404854145 1    854046 1      C-13-H3C(O)CH3
  356084.1729  0.0029 -3.8540 3  162.9347408 -595161404251312 1    241411 1      C-13-H3C(O)CH3
  356090.6178  0.2405 -6.3574 3 1526.2747B28  5951614047061 9 1    706010 1      C-13-H3C(O)CH3
  356097.8387  0.1897 -6.6584 3 1526.2416564  5951614047061 9 3    706010 3      C-13-H3C(O)CH3
  356105.4068  0.2530 -6.5322 3 1324.7001516  5951614046460 4 4    6459 5 4      C-13-H3C(O)CH3
  356105.7285  0.2761 -6.7084 3 1893.1754D68  595161404854045 0    853946 0      C-13-H3C(O)CH3
  356105.7286  0.2761 -6.7084 3 1893.1754D68  595161404854145 0    854046 0      C-13-H3C(O)CH3
  356119.3569  0.0025 -3.8552 3  162.9332408 -595161404251312 0    241411 0      C-13-H3C(O)CH3
  356134.5053  0.2237 -6.5322 3 1324.6874516  5951614046460 4 3    6459 5 3      C-13-H3C(O)CH3
  356134.8035  0.0195 -5.6795 3  403.8773300  5951614043729 9 4    3630 7 4      C-13-H3C(O)CH3
  356147.7142  0.2553 -5.9899 3  968.1915952  595161404593722 0    593425 0      C-13-H3C(O)CH3
  356152.1897  0.2362 -6.3573 3 1526.2527B28  595161404706110 1    706011 1      C-13-H3C(O)CH3
  356170.4066  0.2475 -6.3572 3 1526.2443B28  595161404706110 2    706011 2      C-13-H3C(O)CH3
  356171.0439  0.0196 -6.0135 3  426.1647316  595161404392614 4    392317 4      C-13-H3C(O)CH3
  356183.2077  0.2817 -6.5977 3 1709.7900C08  595161404756213 2    756114 2      C-13-H3C(O)CH3
  356198.9916  0.2121 -6.6583 3 1526.2381564  595161404706110 3    706011 3      C-13-H3C(O)CH3
  356224.6210  0.0178 -5.6875 3  426.1860632  595161404392614 2    392317 2      C-13-H3C(O)CH3
  356230.9206  0.0184 -5.6802 3  403.8888300  5951614043729 9 3    3630 7 3      C-13-H3C(O)CH3
  356252.1397  0.2717 -6.5976 3 1709.7847C08  595161404756213 1    756114 1      C-13-H3C(O)CH3
  356260.3697  0.2193 -6.6581 3 1526.2161564  595161404706110 4    706011 4      C-13-H3C(O)CH3
  356277.8088  0.1150 -6.4061 3 1565.1752628  595161404783544 4    783445 4      C-13-H3C(O)CH3
  356277.8088  0.1150 -6.4062 3 1565.1752628  595161404783444 4    783345 4      C-13-H3C(O)CH3
  356277.8608  0.1150 -6.3958 3 1565.1752628  595161404783544 3    783445 3      C-13-H3C(O)CH3
  356277.8608  0.1150 -6.3957 3 1565.1752628  595161404783444 3    783345 3      C-13-H3C(O)CH3
  356311.9277  0.1306 -6.0945 3 1565.1595C56  595161404783444 1    783345 1      C-13-H3C(O)CH3
  356311.9277  0.1306 -6.0945 3 1565.1595C56  595161404783544 1    783445 1      C-13-H3C(O)CH3
  356312.9282  0.1227 -6.0951 3 1565.1626C56  595161404783544 2    783445 2      C-13-H3C(O)CH3
  356312.9282  0.1227 -6.0952 3 1565.1626C56  595161404783444 2    783345 2      C-13-H3C(O)CH3
  356319.0988  0.0184 -6.1327 3  613.1281776  595161404482524 0    472621 0      C-13-H3C(O)CH3
  356325.0596  0.3654 -6.5975 3 1709.8086C08  595161404756213 0    756114 0      C-13-H3C(O)CH3
  356325.0596  0.3654 -6.5975 3 1709.8086C08  595161404756214 0    756115 0      C-13-H3C(O)CH3
  356342.1137  0.0487 -6.1987 3  482.0791340  595161404422418 3    412715 3      C-13-H3C(O)CH3
  356346.9701  0.1331 -6.0968 3 1565.1469C56  595161404783544 0    783445 0      C-13-H3C(O)CH3
  356346.9701  0.1331 -6.0968 3 1565.1469C56  595161404783444 0    783345 0      C-13-H3C(O)CH3
  356349.0576  0.0129 -5.6409 3  398.9968616  595161404382415 0    382118 0      C-13-H3C(O)CH3
  356354.6008  0.3016 -6.5973 3 1709.7616C08  595161404756214 2    756115 2      C-13-H3C(O)CH3
  356360.4583  0.0288 -6.5498 3  331.9358276  595161404342510 3    342212 3      C-13-H3C(O)CH3
  356366.0303  0.0200 -6.3445 3  331.9584552  595161404342510 1    342212 1      C-13-H3C(O)CH3
  356371.0242  0.0131 -4.7072 3  736.1440920  595161404571542 0    571543 0      C-13-H3C(O)CH3
  356371.0242  0.0131 -4.7072 3  736.1440920  595161404571642 0    571443 0      C-13-H3C(O)CH3
  356381.0662  0.1557 -5.9576 3  933.9416936  595161404583622 0    583325 0      C-13-H3C(O)CH3
  356401.6967  0.0193 -6.1320 3  613.1125776  595161404482524 1    472621 1      C-13-H3C(O)CH3
  356418.3821  0.0210 -5.9666 3  426.1649316  595161404392614 3    392317 3      C-13-H3C(O)CH3
  356418.8184  0.0193 -6.0772 3  331.9584552  5951614043425 9 1    342212 1      C-13-H3C(O)CH3
  356427.8674  0.0282 -6.5496 3  331.9353276  595161404342510 4    342212 4      C-13-H3C(O)CH3
  356431.0901  0.2861 -6.5972 3 1709.7635C08  595161404756214 1    756115 1      C-13-H3C(O)CH3
  356453.2581  0.0159 -5.0918 3  736.1232920  595161404571642 1    571443 1      C-13-H3C(O)CH3
  356453.2581  0.0159 -4.9326 3  736.1232920  595161404571542 1    571443 1      C-13-H3C(O)CH3
  356453.2581  0.0159 -4.9326 3  736.1232920  595161404571642 1    571543 1      C-13-H3C(O)CH3
  356453.2581  0.0159 -5.0918 3  736.1232920  595161404571542 1    571543 1      C-13-H3C(O)CH3
  356453.7374  0.0160 -4.8512 3  736.1228920  595161404571642 2    571543 2      C-13-H3C(O)CH3
  356453.7374  0.0160 -4.8512 3  736.1228920  595161404571542 2    571443 2      C-13-H3C(O)CH3
  356453.7374  0.0160 -5.2451 3  736.1228920  595161404571542 2    571543 2      C-13-H3C(O)CH3
  356453.7374  0.0160 -5.2451 3  736.1228920  595161404571642 2    571443 2      C-13-H3C(O)CH3
  356455.9814  0.0126 -5.6410 3  398.9735616  595161404382415 1    382118 1      C-13-H3C(O)CH3
  356496.4128  0.0310 -6.1302 3  613.1074776  595161404482524 2    472621 2      C-13-H3C(O)CH3
  356536.0785  0.0166 -5.0717 3  736.1019460  595161404571542 3    571443 3      C-13-H3C(O)CH3
  356536.0785  0.0166 -5.8493 3  736.1019460  595161404571542 3    571543 3      C-13-H3C(O)CH3
  356536.0785  0.0166 -5.0717 3  736.1019460  595161404571642 3    571543 3      C-13-H3C(O)CH3
  356536.0785  0.0166 -5.8493 3  736.1019460  595161404571642 3    571443 3      C-13-H3C(O)CH3
  356536.1721  0.0166 -5.0394 3  736.1019460  595161404571642 4    571543 4      C-13-H3C(O)CH3
  356536.1721  0.0166 -6.1190 3  736.1019460  595161404571542 4    571543 4      C-13-H3C(O)CH3
  356536.1721  0.0166 -5.0394 3  736.1019460  595161404571542 4    571443 4      C-13-H3C(O)CH3
  356536.1721  0.0166 -6.1190 3  736.1019460  595161404571642 4    571443 4      C-13-H3C(O)CH3
  356548.6375  0.0415 -6.7155 3  854.3003920  595161404572730 0    563027 0      C-13-H3C(O)CH3
  356561.2244  0.0127 -5.6416 3  398.9684616  595161404382415 2    382118 2      C-13-H3C(O)CH3
  356576.2671  0.0159 -4.3526 3  107.3008164  5951614042014 7 4    1913 6 4      C-13-H3C(O)CH3
  356578.4953  0.0324 -6.4306 3  613.0917388  595161404482524 4    472621 4      C-13-H3C(O)CH3
  356581.0892  0.0322 -6.4306 3  613.0917388  595161404482524 3    472621 3      C-13-H3C(O)CH3
  356581.2396  0.1194 -5.9566 3  933.9375936  595161404583622 2    583325 2      C-13-H3C(O)CH3
  356588.8499  0.0414 -6.7154 3  854.2990920  595161404572830 0    562927 0      C-13-H3C(O)CH3
  356589.9316  0.0054 -6.5296 3   47.8609232  5951614041410 5 1    13 7 7 1      C-13-H3C(O)CH3
  356591.4730  0.0444 -6.7143 3  854.3037920  595161404572730 1    563027 1      C-13-H3C(O)CH3
  356598.6151  0.0499 -6.7137 3  854.3038920  595161404572730 2    563027 2      C-13-H3C(O)CH3
  356609.4825  0.0309 -6.4418 3  331.9353276  5951614043425 9 4    342212 4      C-13-H3C(O)CH3
  356614.0761  0.1486 -5.9567 3  933.9366936  595161404583622 1    583325 1      C-13-H3C(O)CH3
  356634.7264  0.0443 -6.7142 3  854.3022920  595161404572830 1    562927 1      C-13-H3C(O)CH3
  356640.0958  0.0437 -6.2354 3  482.0694340  595161404422418 4    412715 4      C-13-H3C(O)CH3
  356641.6285  0.0506 -6.7136 3  854.3024920  595161404572830 2    562927 2      C-13-H3C(O)CH3
  356642.5978  0.0285 -6.4420 3  331.9358276  5951614043425 9 3    342212 3      C-13-H3C(O)CH3
  356655.5617  0.0115 -5.9428 3  398.9450308  595161404382415 4    382118 4      C-13-H3C(O)CH3
  356675.6564  0.0119 -5.9425 3  398.9451308  595161404382415 3    382118 3      C-13-H3C(O)CH3
  356706.0040  0.0051 -6.1999 3   64.9353264  5951614041611 5 1    15 8 7 1      C-13-H3C(O)CH3
  356706.6511  0.0447 -5.9099 3  482.0893680  595161404422418 2    412715 2      C-13-H3C(O)CH3
  356711.0805  0.0397 -6.2435 3 1180.5969B12  595161404692743 0    692644 0      C-13-H3C(O)CH3
  356711.0805  0.0397 -5.4728 3 1180.5969B12  595161404692743 0    692544 0      C-13-H3C(O)CH3
  356711.0805  0.0397 -6.2435 3 1180.5969B12  595161404692643 0    692544 0      C-13-H3C(O)CH3
  356711.0805  0.0397 -5.4728 3 1180.5969B12  595161404692643 0    692644 0      C-13-H3C(O)CH3
  356711.1246  0.0051 -6.0584 3   64.9730132  5951614041611 5 4    15 8 7 4      C-13-H3C(O)CH3
  356714.6028  0.2518 -6.2619 3 1294.7397A16  5951614046360 4 1    6359 5 1      C-13-H3C(O)CH3
  356725.5915  0.0415 -6.3069 3 1180.6143B12  595161404692643 1    692544 1      C-13-H3C(O)CH3
  356725.5915  0.0415 -5.4629 3 1180.6143B12  595161404692643 1    692644 1      C-13-H3C(O)CH3
  356725.5915  0.0415 -5.4629 3 1180.6143B12  595161404692743 1    692544 1      C-13-H3C(O)CH3
  356725.5915  0.0415 -6.3069 3 1180.6143B12  595161404692743 1    692644 1      C-13-H3C(O)CH3
  356730.4388  0.0473 -6.0780 3 1180.6155B12  595161404692643 2    692544 2      C-13-H3C(O)CH3
  356730.4388  0.0473 -5.5083 3 1180.6155B12  595161404692643 2    692644 2      C-13-H3C(O)CH3
  356730.4388  0.0473 -5.5083 3 1180.6155B12  595161404692743 2    692544 2      C-13-H3C(O)CH3
  356730.4388  0.0473 -6.0780 3 1180.6155B12  595161404692743 2    692644 2      C-13-H3C(O)CH3
  356739.3924  0.0059 -6.6243 3   47.8593232  5951614041410 5 2    13 7 7 2      C-13-H3C(O)CH3
  356745.0098  0.0448 -5.7104 3 1180.6329556  595161404692743 3    692544 3      C-13-H3C(O)CH3
  356745.0098  0.0448 -5.7104 3 1180.6329556  595161404692643 3    692644 3      C-13-H3C(O)CH3
  356745.0838  0.0449 -5.7377 3 1180.6329556  595161404692643 4    692544 4      C-13-H3C(O)CH3
  356745.0838  0.0449 -5.7377 3 1180.6329556  595161404692743 4    692644 4      C-13-H3C(O)CH3
  356755.8627  0.3140 -6.2617 3 1294.7362A16  5951614046360 3 0    6359 5 0      C-13-H3C(O)CH3
  356755.8627  0.3140 -6.2617 3 1294.7362A16  5951614046360 4 0    6359 4 0      C-13-H3C(O)CH3
  356774.6715  0.0061 -6.3344 3   64.9301264  5951614041611 5 2    15 8 7 2      C-13-H3C(O)CH3
  356784.7347  0.2788 -5.9912 3  968.1840952  595161404593722 2    593425 2      C-13-H3C(O)CH3
  356787.9894  0.0232 -6.2482 3  331.9550552  595161404342510 2    342212 2      C-13-H3C(O)CH3
  356790.9872  0.0169 -5.8905 3  331.9776552  5951614043425 9 0    342212 0      C-13-H3C(O)CH3
  356798.1748  0.0792 -6.2562 3  933.9323468  595161404583622 3    583325 3      C-13-H3C(O)CH3
  356825.9206  0.0167 -6.4659 3  100.3903312  5951614041915 4 2    1814 5 2      C-13-H3C(O)CH3
  356826.7729  0.0022 -3.6861 3  211.6191276 -59516140434 431 4    33 330 4      C-13-H3C(O)CH3
  356826.7729  0.0023 -4.5744 3  211.6191276 -59516140434 431 3    33 330 3      C-13-H3C(O)CH3
  356826.7729  0.0022 -4.9374 3  211.6191276 -59516140434 331 4    33 330 4      C-13-H3C(O)CH3
  356826.7729  0.0023 -3.7191 3  211.6191276 -59516140434 331 3    33 330 3      C-13-H3C(O)CH3
  356826.7949  0.0023 -4.5744 3  211.6191276  59516140434 331 3    33 430 3      C-13-H3C(O)CH3
  356826.7949  0.0023 -3.7191 3  211.6191276  59516140434 431 3    33 430 3      C-13-H3C(O)CH3
  356826.8078  0.0022 -4.9374 3  211.6191276  59516140434 431 4    33 430 4      C-13-H3C(O)CH3
  356826.8078  0.0022 -3.6861 3  211.6191276  59516140434 331 4    33 430 4      C-13-H3C(O)CH3
  356835.6295  0.2373 -5.9913 3  968.1821952  595161404593722 1    593425 1      C-13-H3C(O)CH3
  356864.4094  0.0957 -6.2574 3  933.9324468  595161404583622 4    583325 4      C-13-H3C(O)CH3
  356865.2162  0.0026 -4.0071 3  211.5932552  59516140434 331 1    33 430 1      C-13-H3C(O)CH3
  356865.2162  0.0026 -3.4725 3  211.5932552  59516140434 431 1    33 430 1      C-13-H3C(O)CH3
  356865.2863  0.0026 -4.0071 3  211.5932552 -59516140434 431 1    33 330 1      C-13-H3C(O)CH3
  356865.2863  0.0026 -3.9511 3  211.5927552 -59516140434 331 2    33 430 2      C-13-H3C(O)CH3
  356865.2863  0.0026 -3.4725 3  211.5932552 -59516140434 331 1    33 330 1      C-13-H3C(O)CH3
  356865.2863  0.0026 -3.9511 3  211.5927552 -59516140434 431 2    33 330 2      C-13-H3C(O)CH3
  356865.4027  0.0026 -3.4904 3  211.5927552  59516140434 431 2    33 430 2      C-13-H3C(O)CH3
  356865.4027  0.0026 -3.4904 3  211.5927552  59516140434 331 2    33 330 2      C-13-H3C(O)CH3
  356869.2763  0.0325 -6.1282 3  327.5383552  595161404342411 2    3325 8 2      C-13-H3C(O)CH3
  356871.0992  0.0113 -4.9701 3  327.5595552  595161404342411 0    3325 8 0      C-13-H3C(O)CH3
  356900.8990  0.2609 -6.2617 3 1294.7708A16  5951614046360 3 1    6359 4 1      C-13-H3C(O)CH3
  356903.7159  0.0022 -3.3615 3  211.5669552 -59516140434 331 0    33 430 0      C-13-H3C(O)CH3
  356903.7159  0.0022 -6.4131 3  211.5669552 -59516140434 431 0    33 430 0      C-13-H3C(O)CH3
  356903.7310  0.0022 -3.3615 3  211.5669552  59516140434 431 0    33 330 0      C-13-H3C(O)CH3
  356903.7310  0.0022 -6.4131 3  211.5669552  59516140434 331 0    33 330 0      C-13-H3C(O)CH3
  356913.5494  0.0119 -5.0005 3  327.5368552  595161404342411 2    3325 9 2      C-13-H3C(O)CH3
  356927.0384  0.2518 -6.5628 3 1294.7471508  5951614046360 4 4    6359 5 4      C-13-H3C(O)CH3
  356943.3278  0.0115 -5.2833 3  701.8733904  595161404561442 0    561443 0      C-13-H3C(O)CH3
  356943.3278  0.0115 -4.7774 3  701.8733904  595161404561442 0    561343 0      C-13-H3C(O)CH3
  356943.3278  0.0115 -5.2833 3  701.8733904  595161404561542 0    561343 0      C-13-H3C(O)CH3
  356943.3278  0.0115 -4.7774 3  701.8733904  595161404561542 0    561443 0      C-13-H3C(O)CH3
  356949.8328  0.2387 -6.5627 3 1294.7576508  5951614046360 4 3    6359 5 3      C-13-H3C(O)CH3
  356968.6215  0.2511 -6.2616 3 1294.7437A16  5951614046360 4 2    6359 5 2      C-13-H3C(O)CH3
  356990.7531  0.2835 -6.2615 3 1294.7541A16  5951614046360 3 2    6359 4 2      C-13-H3C(O)CH3
  356999.3438  0.0379 -6.7166 3  327.5036276  595161404342411 3    3325 8 3      C-13-H3C(O)CH3
  357018.0038  0.0144 -6.3238 3  701.8490904  595161404561442 1    561443 1      C-13-H3C(O)CH3
  357018.0038  0.0144 -4.6687 3  701.8490904  595161404561442 1    561343 1      C-13-H3C(O)CH3
  357018.0038  0.0144 -6.3238 3  701.8490904  595161404561542 1    561343 1      C-13-H3C(O)CH3
  357018.0038  0.0144 -4.6687 3  701.8490904  595161404561542 1    561443 1      C-13-H3C(O)CH3
  357018.1256  0.0143 -6.4348 3  701.8486904  595161404561442 2    561443 2      C-13-H3C(O)CH3
  357018.1256  0.0143 -6.4348 3  701.8486904  595161404561542 2    561343 2      C-13-H3C(O)CH3
  357018.1256  0.0143 -4.6665 3  701.8486904  595161404561542 2    561443 2      C-13-H3C(O)CH3
  357018.1256  0.0143 -4.6665 3  701.8486904  595161404561442 2    561343 2      C-13-H3C(O)CH3
  357020.0276  0.0247 -6.1430 3  331.9550552  5951614043425 9 2    342212 2      C-13-H3C(O)CH3
  357036.2883  0.0189 -5.6101 3  327.5250552  595161404342411 1    3325 8 1      C-13-H3C(O)CH3
  357036.6246  0.0114 -4.9696 3  327.5594552  595161404342410 0    3325 9 0      C-13-H3C(O)CH3
  357047.1551  0.0168 -6.5678 3  100.3792312  5951614041915 4 1    1814 5 1      C-13-H3C(O)CH3
  357092.9003  0.0156 -6.1679 3  701.8243452  595161404561442 3    561443 3      C-13-H3C(O)CH3
  357092.9003  0.0156 -4.9877 3  701.8243452  595161404561542 3    561443 3      C-13-H3C(O)CH3
  357092.9003  0.0156 -4.9607 3  701.8243452  595161404561542 3    561343 3      C-13-H3C(O)CH3
  357092.9512  0.0156 -6.7436 3  701.8243452  595161404561542 4    561443 4      C-13-H3C(O)CH3
  357092.9512  0.0156 -4.9671 3  701.8243452  595161404561542 4    561343 4      C-13-H3C(O)CH3
  357092.9512  0.0156 -4.9671 3  701.8243452  595161404561442 4    561443 4      C-13-H3C(O)CH3
  357092.9512  0.0156 -6.7436 3  701.8243452  595161404561442 4    561343 4      C-13-H3C(O)CH3
  357107.7916  0.3575 -6.8429 3 1867.8844C72  595161404796316 2    796217 2      C-13-H3C(O)CH3
  357114.3714  0.2367 -6.5626 3 1294.7782508  5951614046360 3 3    6359 4 3      C-13-H3C(O)CH3
  357116.9625  0.3178 -6.8428 3 1867.8754C72  595161404796316 1    796217 1      C-13-H3C(O)CH3
  357120.9851  0.0269 -5.8932 3  482.0873680  595161404422418 1    412715 1      C-13-H3C(O)CH3
  357137.2232  0.2729 -6.5625 3 1294.7886508  5951614046360 3 4    6359 4 4      C-13-H3C(O)CH3
  357143.6894  0.0146 -5.3156 3  327.5021276  595161404342411 4    3325 8 4      C-13-H3C(O)CH3
  357168.8780  0.0124 -5.0826 3  327.5206552  595161404342411 1    3325 9 1      C-13-H3C(O)CH3
  357175.7828  0.0132 -5.2859 3  327.4978276  595161404342411 3    3325 9 3      C-13-H3C(O)CH3
  357221.0590  0.0174 -5.2704 3  283.3401260  595161404322112 4    3122 9 4      C-13-H3C(O)CH3
  357226.9171  0.0092 -4.7938 3  283.3621520  595161404322112 2    3122 9 2      C-13-H3C(O)CH3
  357228.3166  0.0119 -5.0002 3  327.5383552  595161404342410 2    3325 8 2      C-13-H3C(O)CH3
  357230.0059  0.0376 -6.2676 3  327.4993276  595161404342411 4    3325 9 4      C-13-H3C(O)CH3
  357235.3431  0.0122 -5.0817 3  327.5250552  595161404342410 1    3325 8 1      C-13-H3C(O)CH3
  357247.2507  0.0074 -4.7675 3  283.3820520  595161404322112 0    3122 9 0      C-13-H3C(O)CH3
  357254.5559  0.3584 -6.8426 3 1867.8611C72  595161404796317 2    796218 2      C-13-H3C(O)CH3
  357256.5753  0.3830 -6.8427 3 1867.9072C72  595161404796316 0    796218 0      C-13-H3C(O)CH3
  357256.5753  0.3830 -6.8427 3 1867.9072C72  595161404796317 0    796217 0      C-13-H3C(O)CH3
  357259.0894  0.0142 -5.6353 3  422.0503632  595161404392515 0    392218 0      C-13-H3C(O)CH3
  357272.5897  0.0308 -6.1266 3  327.5368552  595161404342410 2    3325 9 2      C-13-H3C(O)CH3
  357279.7956  0.0114 -4.9575 3  283.3588520  595161404322112 1    3122 9 1      C-13-H3C(O)CH3
  357292.0548  0.2497 -6.3304 3 1493.4031B12  5951614046961 8 2    6960 9 2      C-13-H3C(O)CH3
  357307.3878  0.3266 -6.3303 3 1493.4121B12  5951614046961 8 0    6960 9 0      C-13-H3C(O)CH3
  357307.3878  0.3266 -6.3303 3 1493.4121B12  5951614046961 9 0    696010 0      C-13-H3C(O)CH3
  357328.4382  0.0177 -5.2389 3  283.3362260  595161404322112 3    3122 9 3      C-13-H3C(O)CH3
  357330.6280  0.0293 -5.8833 3  482.1026680  595161404422418 0    412715 0      C-13-H3C(O)CH3
  357346.2625  0.2166 -6.6314 3 1493.4017556  5951614046961 8 4    6960 9 4      C-13-H3C(O)CH3
  357347.7487  0.3537 -6.8424 3 1867.8552C72  595161404796317 1    796218 1      C-13-H3C(O)CH3
  357361.7231  0.2435 -6.3303 3 1493.4108B12  5951614046961 8 1    6960 9 1      C-13-H3C(O)CH3
  357367.9328  0.0197 -5.6099 3  327.5206552  595161404342410 1    3325 9 1      C-13-H3C(O)CH3
  357370.5695  0.1937 -6.6313 3 1493.3796556  5951614046961 9 3    6960 9 3      C-13-H3C(O)CH3
  357379.2235  0.0137 -5.6355 3  422.0278632  595161404392515 1    392218 1      C-13-H3C(O)CH3
  357385.4614  0.2373 -6.3302 3 1493.3886B12  5951614046961 9 1    696010 1      C-13-H3C(O)CH3
  357405.5313  0.0346 -6.2658 3  327.5021276  595161404342410 4    3325 8 4      C-13-H3C(O)CH3
  357439.1057  0.2080 -6.2922 3  968.1743476  595161404593722 3    593425 3      C-13-H3C(O)CH3
  357439.8571  0.2456 -6.3301 3 1493.3802B12  5951614046961 9 2    696010 2      C-13-H3C(O)CH3
  357461.0886  0.0127 -5.2850 3  327.5036276  595161404342410 3    3325 8 3      C-13-H3C(O)CH3
  357468.0395  0.0106 -5.9896 3  283.3540520  595161404322112 2    312210 2      C-13-H3C(O)CH3
  357491.8478  0.0140 -5.3158 3  327.4993276  595161404342410 4    3325 9 4      C-13-H3C(O)CH3
  357494.1057  0.0101 -4.6210 3  668.1850888  595161404551342 0    551343 0      C-13-H3C(O)CH3
  357494.1057  0.0101 -4.6210 3  668.1850888  595161404551442 0    551243 0      C-13-H3C(O)CH3
  357494.1480  0.2135 -6.6311 3 1493.3788556  5951614046961 8 3    696010 3      C-13-H3C(O)CH3
  357494.1699  0.0101 -6.7928 3  668.1850888 -595161404551342 0    551243 0      C-13-H3C(O)CH3
  357494.1699  0.0101 -6.7928 3  668.1850888 -595161404551442 0    551343 0      C-13-H3C(O)CH3
  357517.5787  0.2184 -6.6311 3 1493.3567556  5951614046961 9 4    696010 4      C-13-H3C(O)CH3
  357523.3220  0.0155 -5.7420 3  407.1014616  595161404382613 1    382316 1      C-13-H3C(O)CH3
  357538.1227  0.2511 -6.2951 3  968.1745476  595161404593722 4    593425 4      C-13-H3C(O)CH3
  357541.4577  0.0143 -5.6371 3  422.0225632  595161404392515 2    392218 2      C-13-H3C(O)CH3
  357545.1155  0.0504 -6.8147 3  593.5394696  5951614044340 3 1    4241 1 1      C-13-H3C(O)CH3
  357556.5924  0.0130 -4.6556 3  668.1575888  595161404551442 2    551343 2      C-13-H3C(O)CH3
  357556.5924  0.0130 -5.6970 3  668.1575888  595161404551342 2    551343 2      C-13-H3C(O)CH3
  357556.5924  0.0130 -4.6556 3  668.1575888  595161404551342 2    551243 2      C-13-H3C(O)CH3
  357556.5924  0.0130 -5.6970 3  668.1575888  595161404551442 2    551243 2      C-13-H3C(O)CH3
  357556.7646  0.0133 -4.6304 3  668.1579888  595161404551342 1    551343 1      C-13-H3C(O)CH3
  357556.7646  0.0133 -6.1613 3  668.1579888  595161404551342 1    551243 1      C-13-H3C(O)CH3
  357556.7646  0.0133 -6.1613 3  668.1579888  595161404551442 1    551343 1      C-13-H3C(O)CH3
  357556.7646  0.0133 -4.6304 3  668.1579888  595161404551442 1    551243 1      C-13-H3C(O)CH3
  357578.8524  0.0243 -6.1582 3  407.0758308  595161404382613 4    382316 4      C-13-H3C(O)CH3
  357582.2784  0.0149 -5.6939 3  407.1221616  595161404382613 0    382316 0      C-13-H3C(O)CH3
  357586.9169  0.2695 -6.3215 3 1265.3108A00  5951614046260 3 1    6259 4 1      C-13-H3C(O)CH3
  357598.9129  0.1024 -6.5555 3 1518.8396620  595161404773344 4    773245 4      C-13-H3C(O)CH3
  357598.9129  0.1024 -6.6886 3 1518.8396620  595161404773444 4    773245 4      C-13-H3C(O)CH3
  357598.9129  0.1024 -6.5429 3 1518.8396620  595161404773444 4    773345 4      C-13-H3C(O)CH3
  357598.9129  0.1024 -6.6715 3 1518.8396620  595161404773344 4    773345 4      C-13-H3C(O)CH3
  357598.9550  0.1024 -6.4496 3 1518.8396620  595161404773444 3    773345 3      C-13-H3C(O)CH3
  357598.9550  0.1024 -6.4524 3 1518.8396620  595161404773344 3    773245 3      C-13-H3C(O)CH3
  357619.3340  0.0145 -6.0766 3  668.1303444  595161404551442 4    551343 4      C-13-H3C(O)CH3
  357619.3340  0.0145 -6.0766 3  668.1303444  595161404551342 4    551243 4      C-13-H3C(O)CH3
  357619.3340  0.0145 -4.9499 3  668.1303444  595161404551342 4    551343 4      C-13-H3C(O)CH3
  357619.3340  0.0145 -4.9499 3  668.1303444  595161404551442 4    551243 4      C-13-H3C(O)CH3
  357619.3363  0.0146 -6.0844 3  668.1304444  595161404551442 3    551243 3      C-13-H3C(O)CH3
  357619.3363  0.0146 -4.9493 3  668.1304444  595161404551442 3    551343 3      C-13-H3C(O)CH3
  357619.3363  0.0146 -4.9493 3  668.1304444  595161404551342 3    551243 3      C-13-H3C(O)CH3
  357619.3363  0.0146 -6.0844 3  668.1304444  595161404551342 3    551343 3      C-13-H3C(O)CH3
  357630.0864  0.1136 -6.0096 3 1518.8221C40  595161404773344 1    773245 1      C-13-H3C(O)CH3
  357630.0864  0.1136 -6.0089 3 1518.8221C40  595161404773444 1    773345 1      C-13-H3C(O)CH3
  357631.9196  0.1081 -6.0353 3 1518.8250C40  595161404773444 2    773245 2      C-13-H3C(O)CH3
  357631.9196  0.1081 -6.0331 3 1518.8250C40  595161404773344 2    773345 2      C-13-H3C(O)CH3
  357633.2945  0.0129 -5.9392 3  421.9999316  595161404392515 4    392218 4      C-13-H3C(O)CH3
  357634.1678  0.0358 -5.3586 3 1139.3799A96  595161404682643 0    682544 0      C-13-H3C(O)CH3
  357634.1678  0.0358 -6.5712 3 1139.3799A96  595161404682643 0    682444 0      C-13-H3C(O)CH3
  357634.1678  0.0358 -5.3586 3 1139.3799A96  595161404682543 0    682444 0      C-13-H3C(O)CH3
  357634.1678  0.0358 -6.5712 3 1139.3799A96  595161404682543 0    682544 0      C-13-H3C(O)CH3
  357637.5275  0.0368 -6.7149 3  327.4978276  595161404342410 3    3325 9 3      C-13-H3C(O)CH3
  357658.4172  0.0384 -5.3913 3 1139.3957A96  595161404682543 1    682544 1      C-13-H3C(O)CH3
  357658.4172  0.0384 -6.2318 3 1139.3957A96  595161404682543 1    682444 1      C-13-H3C(O)CH3
  357658.4172  0.0384 -5.3913 3 1139.3957A96  595161404682643 1    682444 1      C-13-H3C(O)CH3
  357658.4172  0.0384 -6.2318 3 1139.3957A96  595161404682643 1    682544 1      C-13-H3C(O)CH3
  357663.0371  0.1159 -6.0079 3 1518.8076C40  595161404773344 0    773245 0      C-13-H3C(O)CH3
  357663.0371  0.1159 -6.0080 3 1518.8076C40  595161404773444 0    773345 0      C-13-H3C(O)CH3
  357663.1739  0.0441 -5.4629 3 1139.3967A96  595161404682643 2    682444 2      C-13-H3C(O)CH3
  357663.1739  0.0441 -5.4629 3 1139.3967A96  595161404682543 2    682544 2      C-13-H3C(O)CH3
  357663.1739  0.0441 -5.9196 3 1139.3967A96  595161404682543 2    682444 2      C-13-H3C(O)CH3
  357663.1739  0.0441 -5.9196 3 1139.3967A96  595161404682643 2    682544 2      C-13-H3C(O)CH3
  357665.8887  0.3333 -6.3212 3 1265.3032A00  5951614046260 3 0    6259 4 0      C-13-H3C(O)CH3
  357665.8887  0.3333 -6.3212 3 1265.3032A00  5951614046260 2 0    6259 3 0      C-13-H3C(O)CH3
  357684.2302  0.0141 -5.9373 3  421.9999316  595161404392515 3    392218 3      C-13-H3C(O)CH3
  357687.4920  0.0405 -5.6910 3 1139.4125548  595161404682543 3    682544 3      C-13-H3C(O)CH3
  357687.4920  0.0405 -6.5414 3 1139.4125548  595161404682643 3    682544 3      C-13-H3C(O)CH3
  357687.4920  0.0405 -6.5414 3 1139.4125548  595161404682543 3    682444 3      C-13-H3C(O)CH3
  357687.4920  0.0405 -5.6910 3 1139.4125548  595161404682643 3    682444 3      C-13-H3C(O)CH3
  357687.5848  0.0406 -5.8548 3 1139.4125548  595161404682543 4    682444 4      C-13-H3C(O)CH3
  357687.5848  0.0406 -6.0328 3 1139.4125548  595161404682543 4    682544 4      C-13-H3C(O)CH3
  357687.5848  0.0406 -6.0328 3 1139.4125548  595161404682643 4    682444 4      C-13-H3C(O)CH3
  357687.5848  0.0406 -5.8548 3 1139.4125548  595161404682643 4    682544 4      C-13-H3C(O)CH3
  357702.2814  0.0529 -6.8152 3  593.5099696  5951614044340 3 2    4241 1 2      C-13-H3C(O)CH3
  357704.0458  0.0084 -3.8594 3  107.2763328 -5951614042014 7 1    1913 6 1      C-13-H3C(O)CH3
  357724.8212  0.0186 -6.6929 3  189.7422408  5951614042522 3 1    2519 6 1      C-13-H3C(O)CH3
  357731.2937  0.2749 -6.5515 3 1674.4523B92  595161404746212 2    746113 2      C-13-H3C(O)CH3
  357736.8323  0.0476 -6.7297 3  557.7010340  5951614044238 4 4    4139 2 4      C-13-H3C(O)CH3
  357746.0949  0.0212 -5.8216 3  407.0966616  595161404382613 2    382316 2      C-13-H3C(O)CH3
  357763.7867  0.2269 -6.6117 3 1842.9125D52  595161404843945 2    843846 2      C-13-H3C(O)CH3
  357763.7867  0.2269 -6.6117 3 1842.9125D52  595161404844045 2    843946 2      C-13-H3C(O)CH3
  357768.0496  0.2481 -6.6106 3 1842.9097D52  595161404843945 1    843846 1      C-13-H3C(O)CH3
  357768.0497  0.2481 -6.6106 3 1842.9097D52  595161404844045 1    843946 1      C-13-H3C(O)CH3
  357794.8701  0.0375 -6.4271 3  557.6959680  5951614044238 4 1    4139 2 1      C-13-H3C(O)CH3
  357798.4954  0.0028 -5.8215 3  104.9263164  5951614042013 8 4    1912 8 4      C-13-H3C(O)CH3
  357798.9773  0.2511 -6.6107 3 1842.9097D52  595161404844045 0    843946 0      C-13-H3C(O)CH3
  357798.9773  0.2511 -6.6107 3 1842.9097D52  595161404843945 0    843846 0      C-13-H3C(O)CH3
  357801.2581  0.2669 -6.6223 3 1265.3283500  5951614046260 3 4    6259 4 4      C-13-H3C(O)CH3
  357810.8951  0.0152 -5.5544 3  283.3201260  595161404322112 3    312210 3      C-13-H3C(O)CH3
  357812.5772  0.2714 -6.5514 3 1674.4491B92  595161404746212 1    746113 1      C-13-H3C(O)CH3
  357818.3915  0.2813 -6.3212 3 1265.3454A00  5951614046260 2 1    6259 3 1      C-13-H3C(O)CH3
  357855.7052  0.3720 -6.5513 3 1674.4708B92  595161404746213 0    746113 0      C-13-H3C(O)CH3
  357855.7052  0.3720 -6.5513 3 1674.4708B92  595161404746212 0    746114 0      C-13-H3C(O)CH3
  357869.1509  0.0515 -6.8143 3  593.4700696  5951614044340 4 1    4241 2 1      C-13-H3C(O)CH3
  357872.7385  0.0111 -5.2167 3  283.3390520  595161404322112 1    312210 1      C-13-H3C(O)CH3
  357880.5044  0.2671 -6.3211 3 1265.3207A00  5951614046260 3 2    6259 4 2      C-13-H3C(O)CH3
  357884.0971  0.2580 -6.6222 3 1265.3370500  5951614046260 3 3    6259 4 3      C-13-H3C(O)CH3
  357904.5733  0.0256 -6.0638 3  407.0760308  595161404382613 3    382316 3      C-13-H3C(O)CH3
  357907.0402  0.2953 -6.5512 3 1674.4249B92  595161404746213 2    746114 2      C-13-H3C(O)CH3
  357925.0747  0.0025 -4.7117 3  214.5843284  59516140435 233 3    34 232 3      C-13-H3C(O)CH3
  357925.0747  0.0025 -5.4018 3  214.5843284  59516140435 333 3    34 332 3      C-13-H3C(O)CH3
  357925.0950  0.0024 -3.9477 3  214.5843284  59516140435 233 4    34 232 4      C-13-H3C(O)CH3
  357925.0950  0.0024 -3.9477 3  214.5843284  59516140435 333 4    34 332 4      C-13-H3C(O)CH3
  357925.1285  0.0024 -3.9244 3  214.5843284 -59516140435 333 4    34 232 4      C-13-H3C(O)CH3
  357925.1285  0.0025 -3.6729 3  214.5843284 -59516140435 233 3    34 332 3      C-13-H3C(O)CH3
  357925.1285  0.0024 -3.9244 3  214.5843284 -59516140435 233 4    34 332 4      C-13-H3C(O)CH3
  357925.1285  0.0025 -3.6424 3  214.5843284 -59516140435 333 3    34 232 3      C-13-H3C(O)CH3
  357935.2309  0.0189 -5.4956 3  283.3162260  595161404322112 4    312210 4      C-13-H3C(O)CH3
  357940.6959  0.0423 -6.8130 3  593.4912696  5951614044340 4 0    4241 1 0      C-13-H3C(O)CH3
  357940.6959  0.0423 -6.8130 3  593.4912696  5951614044340 3 0    4241 2 0      C-13-H3C(O)CH3
  357944.8789  0.0185 -6.6915 3  189.7100408  5951614042522 4 2    2519 7 2      C-13-H3C(O)CH3
  357955.5184  0.0027 -3.4242 3  214.5475568  59516140435 233 1    34 232 1      C-13-H3C(O)CH3
  357955.5184  0.0027 -4.0596 3  214.5475568  59516140435 333 1    34 232 1      C-13-H3C(O)CH3
  357955.5549  0.0027 -3.4242 3  214.5475568 -59516140435 333 1    34 332 1      C-13-H3C(O)CH3
  357955.5549  0.0027 -4.1186 3  214.5471568 -59516140435 233 2    34 332 2      C-13-H3C(O)CH3
  357955.5549  0.0027 -4.0596 3  214.5475568 -59516140435 233 1    34 332 1      C-13-H3C(O)CH3
  357955.5549  0.0027 -3.4128 3  214.5471568 -59516140435 333 2    34 232 2      C-13-H3C(O)CH3
  357955.6304  0.0027 -4.1125 3  214.5471568  59516140435 333 2    34 332 2      C-13-H3C(O)CH3
  357955.6304  0.0027 -3.4116 3  214.5471568  59516140435 233 2    34 232 2      C-13-H3C(O)CH3
  357963.0176  0.3076 -6.3209 3 1265.3293A00  5951614046260 2 2    6259 3 2      C-13-H3C(O)CH3
  357966.4715  0.2793 -6.5511 3 1674.4291B92  595161404746213 1    746114 1      C-13-H3C(O)CH3
  357974.6420  0.0075 -3.8165 3  107.2733328 -5951614042014 7 2    1913 6 2      C-13-H3C(O)CH3
  357974.6420  0.0047 -4.0274 3  107.2836164 -5951614042014 7 3    1913 6 3      C-13-H3C(O)CH3
  357985.9037  0.0022 -5.5368 3  214.5104568 -59516140435 333 0    34 332 0      C-13-H3C(O)CH3
  357985.9037  0.0022 -3.3363 3  214.5104568 -59516140435 233 0    34 332 0      C-13-H3C(O)CH3
  357985.9955  0.0022 -5.5368 3  214.5104568  59516140435 233 0    34 232 0      C-13-H3C(O)CH3
  357985.9955  0.0022 -3.3363 3  214.5104568  59516140435 333 0    34 232 0      C-13-H3C(O)CH3
  358008.1944  0.0023 -6.0006 3  104.9127328  5951614042013 8 1    1912 8 1      C-13-H3C(O)CH3
  358025.2802  0.0091 -4.8015 3  635.0799872  595161404541242 0    541243 0      C-13-H3C(O)CH3
  358025.2802  0.0091 -4.8015 3  635.0799872  595161404541342 0    541143 0      C-13-H3C(O)CH3
  358025.3153  0.0091 -4.9793 3  635.0799872 -595161404541242 0    541143 0      C-13-H3C(O)CH3
  358025.3153  0.0091 -4.9793 3  635.0799872 -595161404541342 0    541243 0      C-13-H3C(O)CH3
  358033.8629  0.2510 -6.6221 3 1265.3629500  5951614046260 2 3    6259 3 3      C-13-H3C(O)CH3
  358041.5300  0.0023 -6.2197 3  104.9109328  5951614042013 8 2    1912 8 2      C-13-H3C(O)CH3
  358045.1183  0.0375 -6.4271 3  557.6693680  5951614044238 4 2    4139 2 2      C-13-H3C(O)CH3
  358058.2770  0.0183 -6.6893 3  189.6948408  5951614042522 4 1    2519 7 1      C-13-H3C(O)CH3
  358067.2304  0.0173 -6.6960 3  189.7478408  5951614042522 3 2    2519 6 2      C-13-H3C(O)CH3
  358070.4700  0.0122 -4.5817 3  635.0504872  595161404541342 2    541243 2      C-13-H3C(O)CH3
  358070.4700  0.0122 -4.5817 3  635.0504872  595161404541242 2    541143 2      C-13-H3C(O)CH3
  358070.8675  0.0125 -4.5948 3  635.0508872  595161404541342 1    541143 1      C-13-H3C(O)CH3
  358070.8675  0.0125 -4.5948 3  635.0508872  595161404541242 1    541243 1      C-13-H3C(O)CH3
  358070.8675  0.0125 -6.0597 3  635.0508872  595161404541342 1    541243 1      C-13-H3C(O)CH3
  358070.8675  0.0125 -6.0597 3  635.0508872  595161404541242 1    541143 1      C-13-H3C(O)CH3
  358071.2523  0.0118 -5.6588 3  376.4921600  595161404372315 0    372018 0      C-13-H3C(O)CH3
  358098.8837  0.0453 -6.7290 3  557.6351340  5951614044238 5 3    4139 3 3      C-13-H3C(O)CH3
  358102.6798  0.0337 -6.4255 3  557.6640680  5951614044238 4 0    4139 2 0      C-13-H3C(O)CH3
  358102.6798  0.0337 -6.4255 3  557.6640680  5951614044238 5 0    4139 3 0      C-13-H3C(O)CH3
  358109.0990  0.0063 -6.7140 3  130.4871188  595161404231013 3    23 716 3      C-13-H3C(O)CH3
  358109.4269  0.0082 -6.7140 3  130.4872188  595161404231013 4    23 716 4      C-13-H3C(O)CH3
  358116.0570  0.0135 -4.8829 3  635.0212436  595161404541242 4    541243 4      C-13-H3C(O)CH3
  358116.0570  0.0135 -5.5952 3  635.0212436  595161404541342 4    541243 4      C-13-H3C(O)CH3
  358116.0570  0.0135 -4.9742 3  635.0212436  595161404541342 4    541143 4      C-13-H3C(O)CH3
  358116.1224  0.0136 -4.9722 3  635.0212436  595161404541242 3    541243 3      C-13-H3C(O)CH3
  358116.1224  0.0136 -4.8884 3  635.0212436  595161404541342 3    541143 3      C-13-H3C(O)CH3
  358116.1224  0.0136 -5.6033 3  635.0212436  595161404541342 3    541243 3      C-13-H3C(O)CH3
  358116.1224  0.0136 -6.6510 3  635.0212436  595161404541242 3    541143 3      C-13-H3C(O)CH3
  358117.3827  0.2953 -6.6219 3 1265.3715500  5951614046260 2 4    6259 3 4      C-13-H3C(O)CH3
  358135.8263  0.0063 -6.7140 3  130.4871188  595161404231113 3    23 816 3      C-13-H3C(O)CH3
  358135.9891  0.0082 -6.7140 3  130.4872188  595161404231113 4    23 816 4      C-13-H3C(O)CH3
  358154.1580  0.0192 -6.6716 3  407.1014616  595161404382612 1    382316 1      C-13-H3C(O)CH3
  358155.5913  0.0403 -6.4264 3  557.6299680  5951614044238 5 1    4139 3 1      C-13-H3C(O)CH3
  358169.4507  0.0117 -5.6590 3  376.4683600  595161404372315 1    372018 1      C-13-H3C(O)CH3
  358191.5062  0.1146 -6.1048 3  719.3061412  595161404513120 3    512823 3      C-13-H3C(O)CH3
  358216.9463  0.0117 -5.6593 3  376.4635600  595161404372315 2    372018 2      C-13-H3C(O)CH3
  358218.2449  0.0454 -6.7277 3  557.6516340  5951614044238 4 3    4139 2 3      C-13-H3C(O)CH3
  358222.7383  0.1102 -6.1051 3  719.3062412  595161404513120 4    512823 4      C-13-H3C(O)CH3
  358236.5301  0.0120 -6.6213 3   39.2317200  5951614041212 1 1    11 9 3 1      C-13-H3C(O)CH3
  358239.3698  0.0248 -6.8017 3  426.1860632  595161404392613 2    392317 2      C-13-H3C(O)CH3
  358278.3219  0.0502 -6.8132 3  593.4485696  5951614044340 4 2    4241 2 2      C-13-H3C(O)CH3
  358308.9521  0.0109 -5.9604 3  376.4397300  595161404372315 4    372018 4      C-13-H3C(O)CH3
  358317.3196  0.0109 -5.9603 3  376.4397300  595161404372315 3    372018 3      C-13-H3C(O)CH3
  358360.0516  0.0111 -6.6237 3   39.2385200  5951614041212 1 2    11 9 3 2      C-13-H3C(O)CH3
  358368.3937  0.0061 -6.4103 3  130.4710376  595161404231013 2    23 716 2      C-13-H3C(O)CH3
  358396.0226  0.0061 -6.4103 3  130.4710376  595161404231113 2    23 816 2      C-13-H3C(O)CH3
  358400.1683  0.0284 -6.1201 3  523.1536664  5951614044136 5 1    4037 3 1      C-13-H3C(O)CH3
  358409.1268  0.2898 -6.4332 3 1236.3730984  5951614046160 2 1    6159 3 1      C-13-H3C(O)CH3
  358412.5404  0.0061 -6.4104 3  130.4723376  595161404231013 1    23 716 1      C-13-H3C(O)CH3
  358423.0520  0.0018 -4.0221 3  171.6728212 -595161404261214 4    251313 4      C-13-H3C(O)CH3
  358423.0520  0.0017 -4.0221 3  171.6728212 -595161404261214 3    251313 3      C-13-H3C(O)CH3
  358439.2117  0.0061 -6.4104 3  130.4723376  595161404231113 1    23 816 1      C-13-H3C(O)CH3
  358465.4166  0.0139 -6.2652 3  212.2501228  595161404281711 4    2718 9 4      C-13-H3C(O)CH3
  358487.0321  0.3279 -6.3097 3 1461.0428A96  5951614046861 7 0    6860 9 0      C-13-H3C(O)CH3
  358487.0321  0.3279 -6.3097 3 1461.0428A96  5951614046861 8 0    6860 8 0      C-13-H3C(O)CH3
  358499.6274  0.0337 -6.4222 3  523.1491332  5951614044136 5 4    4037 3 4      C-13-H3C(O)CH3
  358500.6676  0.1099 -5.8065 3  719.3145824  595161404513120 2    512823 2      C-13-H3C(O)CH3
  358506.0601  0.0020 -3.7211 3  171.6777424 -595161404261214 1    251313 1      C-13-H3C(O)CH3
  358513.9253  0.0019 -3.7214 3  171.6738424 -595161404261214 2    251313 2      C-13-H3C(O)CH3
  358514.4015  0.0327 -5.9216 3 1098.7343A80  595161404672543 0    672444 0      C-13-H3C(O)CH3
  358514.4015  0.0327 -5.3703 3 1098.7343A80  595161404672543 0    672344 0      C-13-H3C(O)CH3
  358514.4015  0.0327 -5.3703 3 1098.7343A80  595161404672443 0    672444 0      C-13-H3C(O)CH3
  358514.4015  0.0327 -5.9216 3 1098.7343A80  595161404672443 0    672344 0      C-13-H3C(O)CH3
  358516.0819  0.2571 -6.3097 3 1461.0367A96  5951614046861 7 2    6860 8 2      C-13-H3C(O)CH3
  358524.2185  0.0384 -6.4251 3  557.6198680  5951614044238 5 2    4139 3 2      C-13-H3C(O)CH3
  358529.7878  0.3574 -6.4329 3 1236.3617984  5951614046160 1 0    6159 3 0      C-13-H3C(O)CH3
  358529.7878  0.3574 -6.4329 3 1236.3617984  5951614046160 2 0    6159 2 0      C-13-H3C(O)CH3
  358538.7405  0.0086 -5.3053 3  602.5586856  595161404531242 0    531043 0      C-13-H3C(O)CH3
  358538.7405  0.0086 -4.6301 3  602.5586856  595161404531242 0    531143 0      C-13-H3C(O)CH3
  358538.7405  0.0086 -4.6301 3  602.5586856  595161404531142 0    531043 0      C-13-H3C(O)CH3
  358538.7405  0.0086 -5.3053 3  602.5586856  595161404531142 0    531143 0      C-13-H3C(O)CH3
  358539.1152  0.0028 -3.7157 3  107.2567328 -5951614042014 7 0    1913 6 0      C-13-H3C(O)CH3
  358547.6232  0.2413 -6.3097 3 1461.0241A96  5951614046861 8 1    6860 9 1      C-13-H3C(O)CH3
  358548.7332  0.0361 -5.9691 3 1098.7480A80  595161404672543 1    672444 1      C-13-H3C(O)CH3
  358548.7332  0.0361 -5.3577 3 1098.7480A80  595161404672543 1    672344 1      C-13-H3C(O)CH3
  358548.7332  0.0361 -5.9691 3 1098.7480A80  595161404672443 1    672344 1      C-13-H3C(O)CH3
  358548.7332  0.0361 -5.3577 3 1098.7480A80  595161404672443 1    672444 1      C-13-H3C(O)CH3
  358553.2940  0.0414 -6.1226 3 1098.7488A80  595161404672543 2    672344 2      C-13-H3C(O)CH3
  358553.2940  0.0414 -6.1226 3 1098.7488A80  595161404672443 2    672444 2      C-13-H3C(O)CH3
  358553.2940  0.0414 -5.3272 3 1098.7488A80  595161404672443 2    672344 2      C-13-H3C(O)CH3
  358553.2940  0.0414 -5.3272 3 1098.7488A80  595161404672543 2    672444 2      C-13-H3C(O)CH3
  358561.0443  0.0118 -4.8809 3  602.5281856  595161404531142 2    531143 2      C-13-H3C(O)CH3
  358561.0443  0.0118 -4.8169 3  602.5281856  595161404531242 2    531143 2      C-13-H3C(O)CH3
  358561.0443  0.0118 -4.8809 3  602.5281856  595161404531242 2    531043 2      C-13-H3C(O)CH3
  358561.0443  0.0118 -4.8169 3  602.5281856  595161404531142 2    531043 2      C-13-H3C(O)CH3
  358561.5962  0.0121 -5.2341 3  602.5285856  595161404531142 1    531043 1      C-13-H3C(O)CH3
  358561.5962  0.0121 -4.6466 3  602.5285856  595161404531242 1    531043 1      C-13-H3C(O)CH3
  358561.5962  0.0121 -4.5476 3  602.5285856  595161404531242 1    531143 1      C-13-H3C(O)CH3
  358564.1416  0.2483 -6.3097 3 1461.0470A96  5951614046861 7 1    6860 8 1      C-13-H3C(O)CH3
  358576.3258  0.0494 -6.7270 3  557.5857340  5951614044238 5 4    4139 3 4      C-13-H3C(O)CH3
  358577.1759  0.2021 -6.6107 3 1461.0180548  5951614046861 8 3    6860 9 3      C-13-H3C(O)CH3
  358583.8008  0.0126 -4.9494 3  602.4979428  595161404531242 4    531043 4      C-13-H3C(O)CH3
  358583.8008  0.0126 -4.8514 3  602.4979428  595161404531142 4    531143 4      C-13-H3C(O)CH3
  358583.8008  0.0126 -5.5275 3  602.4979428  595161404531142 4    531043 4      C-13-H3C(O)CH3
  358583.9372  0.0126 -4.9326 3  602.4980428  595161404531142 3    531143 3      C-13-H3C(O)CH3
  358583.9372  0.0126 -4.8512 3  602.4980428  595161404531242 3    531043 3      C-13-H3C(O)CH3
  358583.9372  0.0126 -5.5977 3  602.4980428  595161404531242 3    531143 3      C-13-H3C(O)CH3
  358586.9341  0.0104 -6.3105 3  212.2616456  595161404281711 1    2718 9 1      C-13-H3C(O)CH3
  358587.7027  0.0368 -5.6791 3 1098.7625540  595161404672543 3    672444 3      C-13-H3C(O)CH3
  358587.7027  0.0368 -5.6791 3 1098.7625540  595161404672443 3    672344 3      C-13-H3C(O)CH3
  358587.7027  0.0368 -6.1953 3 1098.7625540  595161404672543 3    672344 3      C-13-H3C(O)CH3
  358587.7027  0.0368 -6.1953 3 1098.7625540  595161404672443 3    672444 3      C-13-H3C(O)CH3
  358587.8138  0.0368 -5.5713 3 1098.7626540  595161404672543 4    672444 4      C-13-H3C(O)CH3
  358587.8138  0.0368 -5.5713 3 1098.7626540  595161404672443 4    672344 4      C-13-H3C(O)CH3
  358593.2698  0.2304 -6.6107 3 1461.0408548  5951614046861 7 4    6860 8 4      C-13-H3C(O)CH3
  358596.7571  0.0018 -3.7214 3  171.6787424 -595161404261214 0    251313 0      C-13-H3C(O)CH3
  358597.4537  0.0197 -6.6934 3  189.7484408  5951614042522 3 0    2519 6 0      C-13-H3C(O)CH3
  358603.0350  0.0282 -6.8371 3  407.0760308  595161404382612 3    382316 3      C-13-H3C(O)CH3
  358604.5035  0.0274 -6.1187 3  523.1374664  5951614044136 5 0    4037 3 0      C-13-H3C(O)CH3
  358604.5035  0.0274 -6.1187 3  523.1374664  5951614044136 6 0    4037 4 0      C-13-H3C(O)CH3
  358617.8175  0.2826 -6.7341 3 1236.4011492  5951614046160 2 4    6159 3 4      C-13-H3C(O)CH3
  358624.7980  0.0197 -6.6933 3  189.7475408  5951614042522 4 0    2519 7 0      C-13-H3C(O)CH3
  358641.3086  0.2467 -6.3095 3 1461.0165A96  5951614046861 8 2    6860 9 2      C-13-H3C(O)CH3
  358649.3031  0.0083 -5.8869 3  239.3341488  595161404301614 2    301317 2      C-13-H3C(O)CH3
  358654.9550  0.0706 -5.8073 3  719.3171824  595161404513120 1    512823 1      C-13-H3C(O)CH3
  358671.2006  0.0059 -6.4074 3  130.4563376  595161404231013 0    23 716 0      C-13-H3C(O)CH3
  358683.3636  0.0111 -6.6285 3   39.3025200  5951614041212 0 1    11 9 2 1      C-13-H3C(O)CH3
  358685.1268  0.3056 -6.4328 3 1236.4119984  5951614046160 1 1    6159 2 1      C-13-H3C(O)CH3
  358694.7586  0.0094 -6.1890 3  239.3189244  595161404301614 3    301317 3      C-13-H3C(O)CH3
  358698.8298  0.0059 -6.4073 3  130.4563376  595161404231113 0    23 816 0      C-13-H3C(O)CH3
  358698.9236  0.0101 -6.1890 3  239.3189244  595161404301614 4    301317 4      C-13-H3C(O)CH3
  358701.5119  0.2234 -6.6105 3 1460.9978548  5951614046861 8 4    6860 9 4      C-13-H3C(O)CH3
  358703.0005  0.0018 -3.9479 3  179.7573220 -595161404271116 3    261215 3      C-13-H3C(O)CH3
  358703.0005  0.0018 -3.9479 3  179.7574220 -595161404271116 4    261215 4      C-13-H3C(O)CH3
  358703.2800  0.0284 -6.1198 3  523.1330664  5951614044136 5 2    4037 3 2      C-13-H3C(O)CH3
  358708.5416  0.0018 -3.9479 3  179.7572220 -595161404271216 4    261115 4      C-13-H3C(O)CH3
  358708.5416  0.0018 -3.9479 3  179.7572220 -595161404271216 3    261115 3      C-13-H3C(O)CH3
  358716.5960  0.0017 -4.0212 3  171.6650212  595161404261314 4    251213 4      C-13-H3C(O)CH3
  358717.7305  0.0017 -4.0212 3  171.6650212 -595161404261314 3    251213 3      C-13-H3C(O)CH3
  358718.4749  0.2182 -6.6105 3 1461.0207548  5951614046861 7 3    6860 8 3      C-13-H3C(O)CH3
  358738.6243  0.2852 -6.4328 3 1236.3897984  5951614046160 2 2    6159 3 2      C-13-H3C(O)CH3
  358743.2340  0.0074 -5.8857 3  239.3523488  595161404301614 0    301317 0      C-13-H3C(O)CH3
  358757.8121  0.0294 -6.2938 3  407.0966616  595161404382612 2    382316 2      C-13-H3C(O)CH3
  358760.2733  0.0322 -6.1192 3  523.0944664  5951614044136 6 1    4037 4 1      C-13-H3C(O)CH3
  358769.2190  0.2801 -6.7338 3 1236.4088492  5951614046160 2 3    6159 3 3      C-13-H3C(O)CH3
  358775.6983  0.0021 -3.6468 3  179.7631440 -595161404271116 1    261215 1      C-13-H3C(O)CH3
  358781.1559  0.0021 -3.6468 3  179.7629440 -595161404271216 1    261115 1      C-13-H3C(O)CH3
  358782.1006  0.0020 -3.6470 3  179.7603440 -595161404271116 2    261215 2      C-13-H3C(O)CH3
  358787.8275  0.0020 -3.6470 3  179.7602440 -595161404271216 2    261115 2      C-13-H3C(O)CH3
  358789.2445  0.0085 -5.8870 3  239.3371488  595161404301614 1    301317 1      C-13-H3C(O)CH3
  358799.6069  0.0020 -3.7202 3  171.6699424 -595161404261314 1    251213 1      C-13-H3C(O)CH3
  358800.9093  0.0045 -5.1675 3   46.3699124  59516140415 510 3    14 411 3      C-13-H3C(O)CH3
  358801.2920  0.0058 -5.1675 3   46.3700124  59516140415 510 4    14 411 4      C-13-H3C(O)CH3
  358805.1154  0.0045 -5.1675 3   46.3699124  59516140415 610 3    14 311 3      C-13-H3C(O)CH3
  358805.4470  0.0058 -5.1675 3   46.3700124  59516140415 610 4    14 311 4      C-13-H3C(O)CH3
  358816.8040  0.0019 -3.7205 3  171.6658424 -595161404261314 2    251213 2      C-13-H3C(O)CH3
  358852.4254  0.0343 -6.4203 3  523.1111332  5951614044136 5 3    4037 3 3      C-13-H3C(O)CH3
  358854.6239  0.0019 -3.6470 3  179.7661440 -595161404271116 0    261215 0      C-13-H3C(O)CH3
  358859.5950  0.0347 -6.4212 3  523.0900332  5951614044136 6 3    4037 4 3      C-13-H3C(O)CH3
  358860.1416  0.0019 -3.6469 3  179.7659440 -595161404271216 0    261115 0      C-13-H3C(O)CH3
  358861.2823  0.0913 -6.2235 3 1473.0635612  595161404763344 4    763145 4      C-13-H3C(O)CH3
  358861.2823  0.0913 -6.2235 3 1473.0635612  595161404763244 4    763245 4      C-13-H3C(O)CH3
  358861.3128  0.0913 -6.3235 3 1473.0634612  595161404763244 3    763245 3      C-13-H3C(O)CH3
  358861.3128  0.0913 -6.2936 3 1473.0634612  595161404763344 3    763145 3      C-13-H3C(O)CH3
  358887.4832  0.3368 -6.7864 3 1830.5669C56  595161404786315 2    786216 2      C-13-H3C(O)CH3
  358888.4872  0.0981 -5.9281 3 1473.0445C24  595161404763244 1    763145 1      C-13-H3C(O)CH3
  358888.4872  0.0981 -5.9224 3 1473.0445C24  595161404763344 1    763245 1      C-13-H3C(O)CH3
  358890.2324  0.3360 -6.4325 3 1236.3974984  5951614046160 1 2    6159 2 2      C-13-H3C(O)CH3
  358891.0892  0.0951 -6.0584 3 1473.0472C24  595161404763344 2    763245 2      C-13-H3C(O)CH3
  358891.0892  0.0951 -6.0728 3 1473.0472C24  595161404763244 2    763145 2      C-13-H3C(O)CH3
  358891.0892  0.0951 -6.4547 3 1473.0472C24  595161404763244 2    763245 2      C-13-H3C(O)CH3
  358891.0892  0.0951 -6.4915 3 1473.0472C24  595161404763344 2    763145 2      C-13-H3C(O)CH3
  358894.9731  0.2665 -6.7338 3 1236.4400492  5951614046160 1 3    6159 2 3      C-13-H3C(O)CH3
  358895.3747  0.0144 -5.1898 3  375.6037584  595161404362710 0    3528 7 0      C-13-H3C(O)CH3
  358897.6954  0.0144 -5.1898 3  375.6037584  5951614043627 9 0    3528 8 0      C-13-H3C(O)CH3
  358898.7967  0.0018 -3.7205 3  171.6707424 -595161404261314 0    251213 0      C-13-H3C(O)CH3
  358910.9866  0.0111 -6.6308 3   39.3023200  5951614041212 0 2    11 9 2 2      C-13-H3C(O)CH3
  358918.2607  0.1003 -5.9314 3 1473.0283C24  595161404763244 0    763145 0      C-13-H3C(O)CH3
  358918.2607  0.1003 -5.9314 3 1473.0283C24  595161404763344 0    763245 0      C-13-H3C(O)CH3
  358922.1028  0.3122 -6.7863 3 1830.5586C56  595161404786315 1    786216 1      C-13-H3C(O)CH3
  358940.3965  0.0357 -6.5027 3  407.0758308  595161404382612 4    382316 4      C-13-H3C(O)CH3
  358957.8141  0.0695 -5.8100 3  719.3253824  595161404513120 0    512823 0      C-13-H3C(O)CH3
  359023.1983  0.0117 -4.8210 3  570.5617420  595161404521042 4    52 943 4      C-13-H3C(O)CH3
  359023.1983  0.0117 -4.8210 3  570.5617420  595161404521142 4    521043 4      C-13-H3C(O)CH3
  359023.4099  0.0117 -4.8226 3  570.5617420  595161404521042 3    521043 3      C-13-H3C(O)CH3
  359023.4099  0.0117 -4.8226 3  570.5617420  595161404521142 3    52 943 3      C-13-H3C(O)CH3
  359025.3039  0.0142 -5.1888 3  375.5774584  595161404362710 2    3528 8 2      C-13-H3C(O)CH3
  359029.5551  0.0116 -4.5368 3  570.5916840  595161404521042 2    52 943 2      C-13-H3C(O)CH3
  359029.5551  0.0116 -5.8898 3  570.5916840  595161404521142 2    52 943 2      C-13-H3C(O)CH3
  359029.5551  0.0116 -4.5368 3  570.5916840  595161404521142 2    521043 2      C-13-H3C(O)CH3
  359029.5551  0.0116 -5.8898 3  570.5916840  595161404521042 2    521043 2      C-13-H3C(O)CH3
  359030.1929  0.0119 -5.2502 3  570.5921840  595161404521142 1    52 943 1      C-13-H3C(O)CH3
  359030.1929  0.0119 -5.2502 3  570.5921840  595161404521042 1    521043 1      C-13-H3C(O)CH3
  359030.1929  0.0119 -4.6070 3  570.5921840  595161404521042 1    52 943 1      C-13-H3C(O)CH3
  359030.1929  0.0119 -4.6070 3  570.5921840  595161404521142 1    521043 1      C-13-H3C(O)CH3
  359030.9497  0.0030 -3.8745 3  217.0108292  59516140436 235 3    35 234 3      C-13-H3C(O)CH3
  359030.9497  0.0030 -3.8745 3  217.0108292  59516140436 135 3    35 134 3      C-13-H3C(O)CH3
  359030.9672  0.0030 -3.8811 3  217.0108292  59516140436 135 4    35 134 4      C-13-H3C(O)CH3
  359030.9672  0.0030 -3.9393 3  217.0108292  59516140436 235 4    35 134 4      C-13-H3C(O)CH3
  359031.0016  0.0030 -3.8811 3  217.0108292 -59516140436 235 4    35 234 4      C-13-H3C(O)CH3
  359031.0016  0.0030 -3.9393 3  217.0108292 -59516140436 135 4    35 234 4      C-13-H3C(O)CH3
  359031.0016  0.0030 -3.9470 3  217.0108292 -59516140436 235 3    35 134 3      C-13-H3C(O)CH3
  359031.0016  0.0030 -3.9470 3  217.0108292 -59516140436 135 3    35 234 3      C-13-H3C(O)CH3
  359033.4910  0.4006 -6.7862 3 1830.5901C56  595161404786315 0    786217 0      C-13-H3C(O)CH3
  359033.4910  0.4006 -6.7862 3 1830.5901C56  595161404786316 0    786216 0      C-13-H3C(O)CH3
  359036.3377  0.0085 -4.5181 3  570.6219840  595161404521042 0    52 943 0      C-13-H3C(O)CH3
  359036.3377  0.0085 -4.5181 3  570.6219840  595161404521142 0    521043 0      C-13-H3C(O)CH3
  359045.5601  0.3538 -6.7861 3 1830.5431C56  595161404786316 2    786217 2      C-13-H3C(O)CH3
  359047.8672  0.3207 -6.7335 3 1236.4476492  5951614046160 1 4    6159 2 4      C-13-H3C(O)CH3
  359050.6607  0.0032 -3.3071 3  216.9603584 -59516140436 135 1    35 234 1      C-13-H3C(O)CH3
  359050.6607  0.0032 -3.3071 3  216.9603584 -59516140436 235 1    35 134 1      C-13-H3C(O)CH3
  359050.6607  0.0031 -3.3071 3  216.9599584 -59516140436 235 2    35 234 2      C-13-H3C(O)CH3
  359050.6607  0.0031 -3.3071 3  216.9599584 -59516140436 135 2    35 134 2      C-13-H3C(O)CH3
  359055.5612  0.0303 -6.1179 3  523.0949664  5951614044136 6 2    4037 4 2      C-13-H3C(O)CH3
  359070.3103  0.0027 -5.4531 3  216.9095584  59516140436 135 0    35 134 0      C-13-H3C(O)CH3
  359070.3103  0.0027 -5.4531 3  216.9095584  59516140436 235 0    35 234 0      C-13-H3C(O)CH3
  359070.3172  0.0027 -3.3100 3  216.9095584 -59516140436 135 0    35 234 0      C-13-H3C(O)CH3
  359070.3172  0.0027 -3.3100 3  216.9095584 -59516140436 235 0    35 134 0      C-13-H3C(O)CH3
  359084.2612  0.0150 -5.1900 3  375.5716584  5951614043627 9 1    3528 7 1      C-13-H3C(O)CH3
  359109.5533  0.0053 -4.8652 3   46.3157248  59516140415 510 2    14 411 2      C-13-H3C(O)CH3
  359113.9351  0.0053 -4.8651 3   46.3157248  59516140415 610 2    14 311 2      C-13-H3C(O)CH3
  359115.4614  0.0070 -4.0505 3   93.5870312  5951614041912 7 2    1811 8 2      C-13-H3C(O)CH3
  359122.6955  0.0052 -4.8653 3   46.3164248  59516140415 510 1    14 411 1      C-13-H3C(O)CH3
  359126.9432  0.0052 -4.8653 3   46.3164248  59516140415 610 1    14 311 1      C-13-H3C(O)CH3
  359139.6024  0.3427 -6.7859 3 1830.5400C56  595161404786316 1    786217 1      C-13-H3C(O)CH3
  359151.8147  0.0108 -6.6260 3   39.2345200  5951614041212 1 0    11 9 2 0      C-13-H3C(O)CH3
  359154.5397  0.0057 -4.0480 3   93.5666312 -5951614041912 7 0    1811 8 0      C-13-H3C(O)CH3
  359172.2527  0.0144 -5.1891 3  375.5597584  595161404362710 1    3528 8 1      C-13-H3C(O)CH3
  359184.5534  0.3126 -6.6709 3 1207.9250968  5951614046060 1 1    6059 2 1      C-13-H3C(O)CH3
  359188.2150  0.2151 -6.8101 3 1639.6019588  595161404736211 4    736112 4      C-13-H3C(O)CH3
  359197.9990  0.0083 -4.3547 3   93.6104156  5951614041912 7 3    1811 8 3      C-13-H3C(O)CH3
  359202.8404  0.2721 -6.5090 3 1639.6206B76  595161404736211 2    736112 2      C-13-H3C(O)CH3
  359209.4408  0.0399 -6.4193 3  523.0520332  5951614044136 6 4    4037 4 4      C-13-H3C(O)CH3
  359210.2293  0.0158 -5.4900 3  375.5452292  595161404362710 3    3528 7 3      C-13-H3C(O)CH3
  359224.1971  0.0148 -5.1891 3  375.5849584  5951614043627 9 2    3528 7 2      C-13-H3C(O)CH3
  359263.4347  0.0114 -6.5249 3  228.9890472  595161404291811 2    2819 9 2      C-13-H3C(O)CH3
  359281.5128  0.0068 -4.0530 3   93.5893312  5951614041912 7 1    1811 8 1      C-13-H3C(O)CH3
  359289.9840  0.2721 -6.5089 3 1639.6200B76  595161404736211 1    736112 1      C-13-H3C(O)CH3
  359292.6966  0.0086 -4.3584 3   93.6091156  5951614041912 7 4    1811 8 4      C-13-H3C(O)CH3
  359300.3456  0.0165 -5.4891 3  375.5332292  595161404362710 4    3528 8 4      C-13-H3C(O)CH3
  359304.2418  0.3752 -6.5089 3 1639.6386B76  595161404736212 0    736112 0      C-13-H3C(O)CH3
  359304.2418  0.3752 -6.5089 3 1639.6386B76  595161404736211 0    736113 0      C-13-H3C(O)CH3
  359313.5263  0.2145 -6.8099 3 1639.5827588  595161404736211 3    736112 3      C-13-H3C(O)CH3
  359339.5194  0.0019 -3.8917 3  187.2107228 -595161404281118 3    271017 3      C-13-H3C(O)CH3
  359339.5194  0.0019 -3.8917 3  187.2108228 -595161404281118 4    271017 4      C-13-H3C(O)CH3
  359339.5194  0.0019 -3.8917 3  187.2107228 -595161404281018 3    271117 3      C-13-H3C(O)CH3
  359339.5194  0.0019 -3.8917 3  187.2108228 -595161404281018 4    271117 4      C-13-H3C(O)CH3
  359342.6799  0.1878 -6.8157 3 1793.2015668  595161404833845 4    833746 4      C-13-H3C(O)CH3
  359342.6800  0.1878 -6.8157 3 1793.2015668  595161404833945 4    833846 4      C-13-H3C(O)CH3
  359342.7579  0.1878 -6.8156 3 1793.2015668  595161404833845 3    833746 3      C-13-H3C(O)CH3
  359342.7579  0.1878 -6.8156 3 1793.2015668  595161404833945 3    833846 3      C-13-H3C(O)CH3
  359350.4835  0.3858 -6.6705 3 1207.9105968  5951614046060 0 0    6059 2 0      C-13-H3C(O)CH3
  359350.4835  0.3858 -6.6705 3 1207.9105968  5951614046060 1 0    6059 1 0      C-13-H3C(O)CH3
  359353.9849  0.0303 -5.1959 3 1058.6613A64  595161404662443 0    662244 0      C-13-H3C(O)CH3
  359353.9849  0.0303 -5.1959 3 1058.6613A64  595161404662343 0    662344 0      C-13-H3C(O)CH3
  359363.9514  0.2416 -6.8098 3 1639.5760588  595161404736212 3    736113 3      C-13-H3C(O)CH3
  359372.1646  0.0043 -3.6659 3  101.2039148 -5951614041818 0 4    1717 0 4      C-13-H3C(O)CH3
  359376.4225  0.2049 -6.5162 3 1793.1991D36  595161404833845 2    833746 2      C-13-H3C(O)CH3
  359376.4225  0.2049 -6.5163 3 1793.1991D36  595161404833945 2    833846 2      C-13-H3C(O)CH3
  359378.4660  0.2885 -6.5087 3 1639.5947B76  595161404736212 2    736113 2      C-13-H3C(O)CH3
  359379.8906  0.2243 -6.5145 3 1793.1961D36  595161404833845 1    833746 1      C-13-H3C(O)CH3
  359379.8906  0.2243 -6.5145 3 1793.1961D36  595161404833945 1    833846 1      C-13-H3C(O)CH3
  359389.0149  0.0165 -5.4901 3  386.9856616  595161404382118 1    372215 1      C-13-H3C(O)CH3
  359398.2999  0.0115 -6.2073 3  246.4239488  595161404301911 2    2920 9 2      C-13-H3C(O)CH3
  359398.4949  0.0343 -5.8510 3 1058.6725A64  595161404662443 1    662344 1      C-13-H3C(O)CH3
  359398.4949  0.0343 -5.3027 3 1058.6725A64  595161404662443 1    662244 1      C-13-H3C(O)CH3
  359398.4949  0.0343 -5.8510 3 1058.6725A64  595161404662343 1    662244 1      C-13-H3C(O)CH3
  359398.4949  0.0343 -5.3027 3 1058.6725A64  595161404662343 1    662344 1      C-13-H3C(O)CH3
  359402.7663  0.0389 -5.1962 3 1058.6731A64  595161404662343 2    662344 2      C-13-H3C(O)CH3
  359402.7663  0.0389 -5.1962 3 1058.6731A64  595161404662443 2    662244 2      C-13-H3C(O)CH3
  359405.7273  0.0022 -3.5906 3  187.2163456 -595161404281118 1    271017 1      C-13-H3C(O)CH3
  359405.7273  0.0022 -3.5906 3  187.2163456 -595161404281018 1    271117 1      C-13-H3C(O)CH3
  359408.3550  0.0173 -5.4903 3  375.5529292  5951614043627 9 4    3528 7 4      C-13-H3C(O)CH3
  359409.5780  0.0021 -3.5907 3  187.2143456 -595161404281018 2    271117 2      C-13-H3C(O)CH3
  359409.5780  0.0021 -3.5907 3  187.2143456 -595161404281118 2    271017 2      C-13-H3C(O)CH3
  359411.0346  0.0065 -6.7285 3  261.0222504  595161404311913 1    302011 1      C-13-H3C(O)CH3
  359413.4859  0.2272 -6.5145 3 1793.1937D36  595161404833845 0    833746 0      C-13-H3C(O)CH3
  359413.4859  0.2272 -6.5145 3 1793.1937D36  595161404833945 0    833846 0      C-13-H3C(O)CH3
  359414.7772  0.2739 -6.5087 3 1639.6008B76  595161404736212 1    736113 1      C-13-H3C(O)CH3
  359427.3560  0.0107 -6.6257 3   39.2253200  5951614041212 0 0    11 9 3 0      C-13-H3C(O)CH3
  359430.0545  0.0232 -5.8601 3  489.9207648  5951614044034 6 1    3935 4 1      C-13-H3C(O)CH3
  359430.5985  0.0053 -4.8640 3   46.2623248  59516140415 510 0    14 411 0      C-13-H3C(O)CH3
  359434.8425  0.0111 -5.5630 3  539.2135412  59516140451 942 4    51 843 4      C-13-H3C(O)CH3
  359434.8425  0.0111 -4.8773 3  539.2135412  59516140451 942 4    51 943 4      C-13-H3C(O)CH3
  359434.8425  0.0111 -4.8773 3  539.2135412  595161404511042 4    51 843 4      C-13-H3C(O)CH3
  359434.8425  0.0111 -5.5630 3  539.2135412  595161404511042 4    51 943 4      C-13-H3C(O)CH3
  359435.0460  0.0053 -4.8640 3   46.2623248  59516140415 610 0    14 311 0      C-13-H3C(O)CH3
  359435.1280  0.0110 -6.5138 3  539.2135412  595161404511042 3    51 843 3      C-13-H3C(O)CH3
  359435.1280  0.0110 -4.8043 3  539.2135412  59516140451 942 3    51 843 3      C-13-H3C(O)CH3
  359435.1280  0.0110 -6.5138 3  539.2135412  59516140451 942 3    51 943 3      C-13-H3C(O)CH3
  359435.1280  0.0110 -4.8043 3  539.2135412  595161404511042 3    51 943 3      C-13-H3C(O)CH3
  359447.3612  0.0335 -6.6853 3 1058.6843532  595161404662343 3    662244 3      C-13-H3C(O)CH3
  359447.3612  0.0335 -5.5244 3 1058.6843532  595161404662443 3    662244 3      C-13-H3C(O)CH3
  359447.3612  0.0335 -6.6853 3 1058.6843532  595161404662443 3    662344 3      C-13-H3C(O)CH3
  359447.3612  0.0335 -5.5244 3 1058.6843532  595161404662343 3    662344 3      C-13-H3C(O)CH3
  359447.4897  0.0336 -5.4972 3 1058.6843532  595161404662343 4    662344 4      C-13-H3C(O)CH3
  359447.4897  0.0336 -5.4972 3 1058.6843532  595161404662443 4    662244 4      C-13-H3C(O)CH3
  359461.2337  0.0047 -5.7952 3   47.9060116  5951614041410 4 3    13 7 7 3      C-13-H3C(O)CH3
  359475.6519  0.0019 -3.5907 3  187.2199456 -595161404281018 0    271117 0      C-13-H3C(O)CH3
  359475.6519  0.0019 -3.5907 3  187.2199456 -595161404281118 0    271017 0      C-13-H3C(O)CH3
  359475.8979  0.0040 -3.6655 3  101.1239148 -5951614041818 1 3    1717 1 3      C-13-H3C(O)CH3
  359477.1978  0.0115 -4.5003 3  539.2417824  595161404511042 2    51 943 2      C-13-H3C(O)CH3
  359477.1978  0.0115 -6.3951 3  539.2417824  595161404511042 2    51 843 2      C-13-H3C(O)CH3
  359477.1978  0.0115 -6.3951 3  539.2417824  59516140451 942 2    51 943 2      C-13-H3C(O)CH3
  359477.1978  0.0115 -4.5003 3  539.2417824  59516140451 942 2    51 843 2      C-13-H3C(O)CH3
  359477.8594  0.0117 -4.6259 3  539.2422824  595161404511042 1    51 843 1      C-13-H3C(O)CH3
  359477.8594  0.0117 -5.0788 3  539.2422824  59516140451 942 1    51 843 1      C-13-H3C(O)CH3
  359477.8594  0.0117 -4.6259 3  539.2422824  59516140451 942 1    51 943 1      C-13-H3C(O)CH3
  359477.8594  0.0117 -5.0788 3  539.2422824  595161404511042 1    51 943 1      C-13-H3C(O)CH3
  359487.7006  0.0160 -5.9351 3  228.9764236  595161404291811 4    2819 9 4      C-13-H3C(O)CH3
  359488.6651  0.2489 -6.8096 3 1639.5568588  595161404736212 4    736113 4      C-13-H3C(O)CH3
  359497.0032  0.0152 -5.4894 3  375.5409292  5951614043627 9 3    3528 8 3      C-13-H3C(O)CH3
  359503.8565  0.3334 -6.6705 3 1207.9689968  5951614046060 0 1    6059 1 1      C-13-H3C(O)CH3
  359519.7676  0.0088 -4.9198 3  539.2703824 -595161404511042 0    51 943 0      C-13-H3C(O)CH3
  359519.8785  0.0088 -4.4959 3  539.2703824  595161404511042 0    51 843 0      C-13-H3C(O)CH3
  359519.8785  0.0088 -4.6994 3  539.2703824  59516140451 942 0    51 943 0      C-13-H3C(O)CH3
  359526.5081  0.0236 -5.8590 3  489.9187648  5951614044034 6 0    3935 5 0      C-13-H3C(O)CH3
  359526.5081  0.0236 -5.8590 3  489.9187648  5951614044034 7 0    3935 4 0      C-13-H3C(O)CH3
  359527.3681  0.0143 -5.4887 3  387.0042616  595161404382118 0    372215 0      C-13-H3C(O)CH3
  359537.2593  0.0043 -3.6653 3  101.1281148 -5951614041818 0 3    1717 0 3      C-13-H3C(O)CH3
  359545.0709  0.3051 -6.6704 3 1207.9496968  5951614046060 1 2    6059 2 2      C-13-H3C(O)CH3
  359545.6765  0.0091 -4.1836 3  180.4577424 -595161404261511 2    251610 2      C-13-H3C(O)CH3
  359545.7718  0.0170 -5.6779 3  246.4085244  595161404301911 4    2920 9 4      C-13-H3C(O)CH3
  359575.8739  0.0083 -4.1841 3  180.4660424 -595161404261511 0    251610 0      C-13-H3C(O)CH3
  359604.9522  0.3317 -6.2971 3 1429.1714A80  5951614046761 6 0    6760 7 0      C-13-H3C(O)CH3
  359604.9522  0.3317 -6.2971 3 1429.1714A80  5951614046761 7 0    6760 8 0      C-13-H3C(O)CH3
  359615.5489  0.0217 -5.7874 3  386.9496308  595161404382118 4    372215 4      C-13-H3C(O)CH3
  359617.5577  0.0215 -5.7874 3  386.9495308  595161404382118 3    372215 3      C-13-H3C(O)CH3
  359640.4400  0.0041 -3.6649 3  101.0482148 -5951614041818 1 4    1717 1 4      C-13-H3C(O)CH3
  359642.4994  0.0119 -5.9195 3  228.9895472  595161404291811 1    2819 9 1      C-13-H3C(O)CH3
  359642.8845  0.2486 -6.2971 3 1429.1574A80  5951614046761 7 1    6760 8 1      C-13-H3C(O)CH3
  359645.3697  0.0039 -3.3641 3  101.1849296 -5951614041818 0 1    1717 0 1      C-13-H3C(O)CH3
  359651.7375  0.0267 -6.1616 3  489.9101324  5951614044034 6 4    3935 4 4      C-13-H3C(O)CH3
  359681.7989  0.0039 -3.3641 3  101.2000296 -5951614041818 0 2    1717 0 2      C-13-H3C(O)CH3
  359682.7942  0.0150 -6.7346 3  228.9704236  595161404291811 3    2819 9 3      C-13-H3C(O)CH3
  359682.8781  0.2673 -6.2970 3 1429.1693A80  5951614046761 6 2    6760 7 2      C-13-H3C(O)CH3
  359701.5126  0.2554 -6.2970 3 1429.1817A80  5951614046761 6 1    6760 7 1      C-13-H3C(O)CH3
  359716.2272  0.0122 -5.5678 3  246.4232488  595161404301911 1    2920 9 1      C-13-H3C(O)CH3
  359721.3284  0.2138 -6.5980 3 1429.1552540  5951614046761 7 3    6760 8 3      C-13-H3C(O)CH3
  359743.9419  0.0236 -5.7249 3  394.3198616  595161404382216 2    381919 2      C-13-H3C(O)CH3
  359747.3207  0.0234 -5.8594 3  489.9082648  5951614044034 6 2    3935 4 2      C-13-H3C(O)CH3
  359757.0325  0.0268 -5.8590 3  489.8707648  5951614044034 7 1    3935 5 1      C-13-H3C(O)CH3
  359759.3370  0.0195 -5.4849 3  386.9681616  595161404382118 2    372215 2      C-13-H3C(O)CH3
  359774.3770  0.3686 -6.6701 3 1207.9572968  5951614046060 0 2    6059 1 2      C-13-H3C(O)CH3
  359777.8301  0.2513 -6.2969 3 1429.1517A80  5951614046761 7 2    6760 8 2      C-13-H3C(O)CH3
  359779.7755  0.2451 -6.5980 3 1429.1795540  5951614046761 6 4    6760 7 4      C-13-H3C(O)CH3
  359783.0013  0.0160 -6.2311 3  246.4012244  595161404301911 3    2920 9 3      C-13-H3C(O)CH3
  359784.8299  0.0041 -3.3637 3  101.1200296 -5951614041818 1 2    1717 1 2      C-13-H3C(O)CH3
  359809.6999  0.0040 -3.3636 3  101.1091296 -5951614041818 1 1    1717 1 1      C-13-H3C(O)CH3
  359815.3309  0.2330 -6.5979 3 1429.1376540  5951614046761 7 4    6760 8 4      C-13-H3C(O)CH3
  359819.2950  0.0107 -4.7903 3  508.4545404  59516140450 942 4    50 743 4      C-13-H3C(O)CH3
  359819.2950  0.0107 -6.3822 3  508.4545404  59516140450 942 4    50 843 4      C-13-H3C(O)CH3
  359819.2950  0.0107 -6.3822 3  508.4545404  59516140450 842 4    50 743 4      C-13-H3C(O)CH3
  359819.2950  0.0107 -4.7903 3  508.4545404  59516140450 842 4    50 843 4      C-13-H3C(O)CH3
  359819.6452  0.0106 -4.7794 3  508.4545404  59516140450 942 3    50 743 3      C-13-H3C(O)CH3
  359819.6452  0.0106 -4.7794 3  508.4545404  59516140450 842 3    50 843 3      C-13-H3C(O)CH3
  359841.4048  0.0116 -4.4806 3  180.4520212  595161404261511 3    251610 3      C-13-H3C(O)CH3
  359847.9270  0.0269 -6.0257 3  394.2954308  595161404382216 3    381919 3      C-13-H3C(O)CH3
  359855.8670  0.0258 -6.0257 3  394.2953308  595161404382216 4    381919 4      C-13-H3C(O)CH3
  359860.5439  0.0279 -6.1600 3  489.8821324  5951614044034 6 3    3935 4 3      C-13-H3C(O)CH3
  359874.5531  0.2260 -6.5979 3 1429.1620540  5951614046761 6 3    6760 7 3      C-13-H3C(O)CH3
  359901.1854  0.0096 -4.1807 3  180.4594424  595161404261511 1    251610 1      C-13-H3C(O)CH3
  359905.1229  0.0112 -5.3267 3  508.4793808  59516140450 842 2    50 843 2      C-13-H3C(O)CH3
  359905.1229  0.0112 -5.3267 3  508.4793808  59516140450 942 2    50 743 2      C-13-H3C(O)CH3
  359905.1429  0.0112 -4.5445 3  508.4793808 -59516140450 842 2    50 743 2      C-13-H3C(O)CH3
  359905.1429  0.0112 -4.5445 3  508.4793808 -59516140450 942 2    50 843 2      C-13-H3C(O)CH3
  359905.7572  0.0114 -5.5803 3  508.4797808  59516140450 842 1    50 743 1      C-13-H3C(O)CH3
  359905.7572  0.0114 -5.5803 3  508.4797808  59516140450 942 1    50 843 1      C-13-H3C(O)CH3
  359905.9483  0.0114 -4.5139 3  508.4797808 -59516140450 942 1    50 743 1      C-13-H3C(O)CH3
  359905.9483  0.0114 -4.5139 3  508.4797808 -59516140450 842 1    50 843 1      C-13-H3C(O)CH3
  359913.0225  0.0121 -4.4816 3  180.4502212  595161404261511 4    251610 4      C-13-H3C(O)CH3
  359954.6798  0.0042 -3.3634 3  101.1810296 -5951614041818 0 0    1717 1 0      C-13-H3C(O)CH3
  359954.6798  0.0042 -3.3634 3  101.1810296 -5951614041818 1 0    1717 0 0      C-13-H3C(O)CH3
  359957.0638  0.0250 -5.8578 3  489.8800648  5951614044034 7 2    3935 5 2      C-13-H3C(O)CH3
  359969.8047  0.0162 -5.7254 3  394.3484616  595161404382216 0    381919 0      C-13-H3C(O)CH3
  359977.3537  0.0287 -6.1605 3  489.8603324  5951614044034 7 3    3935 5 3      C-13-H3C(O)CH3
  359991.0585  0.0091 -4.4962 3  508.5045808 -59516140450 842 0    50 743 0      C-13-H3C(O)CH3
  359991.0585  0.0091 -4.4962 3  508.5045808 -59516140450 942 0    50 843 0      C-13-H3C(O)CH3
  359991.1182  0.0091 -5.8620 3  508.5045808  59516140450 842 0    50 843 0      C-13-H3C(O)CH3
  359991.1182  0.0091 -5.8620 3  508.5045808  59516140450 942 0    50 743 0      C-13-H3C(O)CH3
  360020.3449  0.0082 -6.7961 3   30.7973200  59516140412 7 5 2    11 4 8 2      C-13-H3C(O)CH3
  360067.9112  0.0814 -6.5852 3 1427.8482604  595161404753244 4    753145 4      C-13-H3C(O)CH3
  360067.9112  0.0814 -6.5852 3 1427.8482604  595161404753144 4    753045 4      C-13-H3C(O)CH3
  360067.9112  0.0814 -6.3321 3 1427.8482604  595161404753244 4    753045 4      C-13-H3C(O)CH3
  360067.9112  0.0814 -6.3321 3 1427.8482604  595161404753144 4    753145 4      C-13-H3C(O)CH3
  360067.9285  0.0814 -6.5247 3 1427.8481604  595161404753144 3    753145 3      C-13-H3C(O)CH3
  360067.9285  0.0814 -6.3699 3 1427.8481604  595161404753244 3    753145 3      C-13-H3C(O)CH3
  360067.9285  0.0814 -6.5247 3 1427.8481604  595161404753244 3    753045 3      C-13-H3C(O)CH3
  360067.9285  0.0814 -6.3699 3 1427.8481604  595161404753144 3    753045 3      C-13-H3C(O)CH3
  360069.0156  0.0048 -5.5231 3   47.8593232  5951614041410 4 2    13 7 7 2      C-13-H3C(O)CH3
  360073.6809  0.0191 -5.7253 3  394.3241616  595161404382216 1    381919 1      C-13-H3C(O)CH3
  360082.8556  0.0045 -5.5323 3   47.8609232  5951614041410 4 1    13 7 7 1      C-13-H3C(O)CH3
  360090.1215  0.0844 -5.8431 3 1427.8280C08  595161404753144 1    753145 1      C-13-H3C(O)CH3
  360090.1215  0.0844 -5.8509 3 1427.8280C08  595161404753244 1    753045 1      C-13-H3C(O)CH3
  360093.4059  0.0836 -5.8856 3 1427.8306C08  595161404753244 2    753045 2      C-13-H3C(O)CH3
  360093.4059  0.0836 -6.8247 3 1427.8306C08  595161404753244 2    753145 2      C-13-H3C(O)CH3
  360093.4059  0.0836 -6.8247 3 1427.8306C08  595161404753144 2    753045 2      C-13-H3C(O)CH3
  360093.4059  0.0836 -5.8856 3 1427.8306C08  595161404753144 2    753145 2      C-13-H3C(O)CH3
  360115.6067  0.0864 -5.8722 3 1427.8105C08  595161404753244 0    753145 0      C-13-H3C(O)CH3
  360115.6067  0.0864 -5.8722 3 1427.8105C08  595161404753144 0    753045 0      C-13-H3C(O)CH3
  360127.5614  0.0028 -5.8119 3  107.2836164  5951614042014 6 3    1913 6 3      C-13-H3C(O)CH3
  360138.8998  0.0083 -6.7990 3   30.7980200  59516140412 7 5 1    11 4 8 1      C-13-H3C(O)CH3
  360144.1129  0.0040 -3.7078 3  218.9002300 -59516140437 137 4    36 136 4      C-13-H3C(O)CH3
  360144.1129  0.0040 -3.6171 3  218.9002300 -59516140437 137 3    36 036 3      C-13-H3C(O)CH3
  360144.1129  0.0040 -4.1819 3  218.9002300 -59516140437 037 4    36 136 4      C-13-H3C(O)CH3
  360144.1129  0.0040 -3.6171 3  218.9002300 -59516140437 037 3    36 136 3      C-13-H3C(O)CH3
  360144.1365  0.0040 -3.7078 3  218.9002300  59516140437 037 4    36 036 4      C-13-H3C(O)CH3
  360144.1365  0.0040 -4.1819 3  218.9002300  59516140437 137 4    36 036 4      C-13-H3C(O)CH3
  360144.1420  0.0040 -4.6927 3  218.9002300  59516140437 137 3    36 136 3      C-13-H3C(O)CH3
  360144.1420  0.0040 -4.6927 3  218.9002300  59516140437 037 3    36 036 3      C-13-H3C(O)CH3
  360149.1677  0.0048 -4.9760 3  218.8322600  59516140437 137 1    36 136 1      C-13-H3C(O)CH3
  360149.1677  0.0048 -4.9760 3  218.8322600  59516140437 037 1    36 036 1      C-13-H3C(O)CH3
  360149.2727  0.0048 -3.2897 3  218.8322600 -59516140437 137 1    36 036 1      C-13-H3C(O)CH3
  360149.2727  0.0045 -4.0274 3  218.8318600 -59516140437 137 2    36 136 2      C-13-H3C(O)CH3
  360149.2727  0.0045 -3.3667 3  218.8318600 -59516140437 037 2    36 136 2      C-13-H3C(O)CH3
  360149.2727  0.0048 -3.2897 3  218.8322600 -59516140437 037 1    36 136 1      C-13-H3C(O)CH3
  360149.3078  0.0045 -3.4186 3  218.8318600  59516140437 137 2    36 036 2      C-13-H3C(O)CH3
  360149.3078  0.0045 -3.8467 3  218.8318600  59516140437 037 2    36 036 2      C-13-H3C(O)CH3
  360154.3147  0.0040 -4.6336 3  218.7640600  59516140437 137 0    36 036 0      C-13-H3C(O)CH3
  360154.3147  0.0040 -3.3005 3  218.7640600  59516140437 037 0    36 036 0      C-13-H3C(O)CH3
  360154.3676  0.0040 -3.3005 3  218.7640600 -59516140437 137 0    36 136 0      C-13-H3C(O)CH3
  360154.3676  0.0040 -4.6336 3  218.7640600 -59516140437 037 0    36 136 0      C-13-H3C(O)CH3
  360155.0638  0.0283 -5.1325 3 1019.1622A48  595161404652343 0    652144 0      C-13-H3C(O)CH3
  360155.0638  0.0283 -5.1325 3 1019.1622A48  595161404652243 0    652244 0      C-13-H3C(O)CH3
  360177.0946  0.0110 -4.8175 3  478.2856396  59516140449 842 4    49 743 4      C-13-H3C(O)CH3
  360177.0946  0.0110 -5.7625 3  478.2856396  59516140449 842 4    49 643 4      C-13-H3C(O)CH3
  360177.0946  0.0110 -4.8175 3  478.2856396  59516140449 742 4    49 643 4      C-13-H3C(O)CH3
  360177.0946  0.0110 -5.7625 3  478.2856396  59516140449 742 4    49 743 4      C-13-H3C(O)CH3
  360177.4891  0.0106 -4.7725 3  478.2856396  59516140449 842 3    49 743 3      C-13-H3C(O)CH3
  360177.4891  0.0106 -4.7725 3  478.2856396  59516140449 742 3    49 643 3      C-13-H3C(O)CH3
  360184.7626  0.0325 -6.1589 3  489.8320324  5951614044034 7 4    3935 5 4      C-13-H3C(O)CH3
  360185.7169  0.0020 -3.8452 3  194.0718236 -595161404291020 3    28 919 3      C-13-H3C(O)CH3
  360185.7169  0.0020 -3.8452 3  194.0718236 -59516140429 920 3    281019 3      C-13-H3C(O)CH3
  360185.7169  0.0020 -3.8452 3  194.0718236 -595161404291020 4    28 919 4      C-13-H3C(O)CH3
  360185.7169  0.0020 -3.8452 3  194.0718236 -59516140429 920 4    281019 4      C-13-H3C(O)CH3
  360194.2717  0.0044 -5.4879 3   47.8144232  5951614041410 4 0    13 7 7 0      C-13-H3C(O)CH3
  360203.7670  0.0061 -6.1022 3   31.1088116  59516140414 212 3    13 113 3      C-13-H3C(O)CH3
  360203.7674  0.0061 -6.1022 3   31.1088116  59516140414 312 3    13 013 3      C-13-H3C(O)CH3
  360204.1598  0.0074 -6.1022 3   31.1088116  59516140414 212 4    13 113 4      C-13-H3C(O)CH3
  360204.1602  0.0074 -6.1022 3   31.1088116  59516140414 312 4    13 013 4      C-13-H3C(O)CH3
  360209.5601  0.0325 -5.5700 3 1019.1704A48  595161404652343 1    652244 1      C-13-H3C(O)CH3
  360209.5601  0.0325 -5.3235 3 1019.1704A48  595161404652343 1    652144 1      C-13-H3C(O)CH3
  360209.5601  0.0325 -5.3235 3 1019.1704A48  595161404652243 1    652244 1      C-13-H3C(O)CH3
  360209.5601  0.0325 -5.5700 3 1019.1704A48  595161404652243 1    652144 1      C-13-H3C(O)CH3
  360213.4629  0.0364 -6.0055 3 1019.1708A48  595161404652243 2    652244 2      C-13-H3C(O)CH3
  360213.4629  0.0364 -5.1903 3 1019.1708A48  595161404652243 2    652144 2      C-13-H3C(O)CH3
  360213.4629  0.0364 -5.1903 3 1019.1708A48  595161404652343 2    652244 2      C-13-H3C(O)CH3
  360213.4629  0.0364 -6.0055 3 1019.1708A48  595161404652343 2    652144 2      C-13-H3C(O)CH3
  360247.1789  0.0023 -3.5442 3  194.0763472 -59516140429 920 1    281019 1      C-13-H3C(O)CH3
  360247.1789  0.0023 -3.5442 3  194.0763472 -595161404291020 1    28 919 1      C-13-H3C(O)CH3
  360249.6345  0.0023 -3.5442 3  194.0748472 -595161404291020 2    28 919 2      C-13-H3C(O)CH3
  360249.6345  0.0023 -3.5442 3  194.0748472 -59516140429 920 2    281019 2      C-13-H3C(O)CH3
  360268.0515  0.0306 -5.4513 3 1019.1790524  595161404652343 3    652144 3      C-13-H3C(O)CH3
  360268.0515  0.0306 -6.7362 3 1019.1790524  595161404652243 3    652144 3      C-13-H3C(O)CH3
  360268.0515  0.0306 -5.4513 3 1019.1790524  595161404652243 3    652244 3      C-13-H3C(O)CH3
  360268.0515  0.0306 -6.7362 3 1019.1790524  595161404652343 3    652244 3      C-13-H3C(O)CH3
  360268.1955  0.0307 -5.8042 3 1019.1790524  595161404652343 4    652244 4      C-13-H3C(O)CH3
  360268.1955  0.0307 -5.6672 3 1019.1790524  595161404652343 4    652144 4      C-13-H3C(O)CH3
  360268.1955  0.0307 -5.8042 3 1019.1790524  595161404652243 4    652144 4      C-13-H3C(O)CH3
  360268.1955  0.0307 -5.6672 3 1019.1790524  595161404652243 4    652244 4      C-13-H3C(O)CH3
  360283.8888  0.0083 -6.7912 3   30.7389200  59516140412 7 5 0    11 4 8 0      C-13-H3C(O)CH3
  360292.1098  0.0061 -5.8942 3   47.9059116  5951614041410 4 4    13 7 7 4      C-13-H3C(O)CH3
  360310.9838  0.0020 -3.5442 3  194.0794472 -59516140429 920 0    281019 0      C-13-H3C(O)CH3
  360310.9838  0.0020 -3.5442 3  194.0794472 -595161404291020 0    28 919 0      C-13-H3C(O)CH3
  360314.4364  0.0107 -5.2060 3  478.3050792  59516140449 742 2    49 643 2      C-13-H3C(O)CH3
  360314.4364  0.0107 -4.5574 3  478.3050792  59516140449 742 2    49 743 2      C-13-H3C(O)CH3
  360314.4364  0.0107 -4.5574 3  478.3050792  59516140449 842 2    49 643 2      C-13-H3C(O)CH3
  360314.4364  0.0107 -5.2060 3  478.3050792  59516140449 842 2    49 743 2      C-13-H3C(O)CH3
  360315.0077  0.0110 -5.0156 3  478.3055792  59516140449 742 1    49 743 1      C-13-H3C(O)CH3
  360315.0077  0.0110 -5.0156 3  478.3055792  59516140449 842 1    49 643 1      C-13-H3C(O)CH3
  360315.2895  0.0110 -4.6147 3  478.3055792 -59516140449 842 1    49 743 1      C-13-H3C(O)CH3
  360315.2895  0.0110 -4.6147 3  478.3055792 -59516140449 742 1    49 643 1      C-13-H3C(O)CH3
  360371.2256  0.0111 -5.9746 3  264.5510504  595161404312011 2    3021 9 2      C-13-H3C(O)CH3
  360451.7077  0.0093 -5.7215 3  478.3249792 -59516140449 742 0    49 643 0      C-13-H3C(O)CH3
  360451.7077  0.0093 -5.7215 3  478.3249792 -59516140449 842 0    49 743 0      C-13-H3C(O)CH3
  360451.7517  0.0093 -4.4940 3  478.3249792  59516140449 742 0    49 743 0      C-13-H3C(O)CH3
  360451.7517  0.0093 -4.4940 3  478.3249792  59516140449 842 0    49 643 0      C-13-H3C(O)CH3
  360453.4728  0.0176 -5.5303 3  264.5328252  595161404312011 4    3021 9 4      C-13-H3C(O)CH3
  360482.0138  0.0032 -4.2715 3  107.2763328 -5951614042014 6 1    1913 6 1      C-13-H3C(O)CH3
  360488.4301  0.0037 -4.2883 3  107.3008164  5951614042014 6 4    1913 6 4      C-13-H3C(O)CH3
  360498.5222  0.0096 -6.0526 3   49.6559116  5951614041411 4 4    13 8 6 4      C-13-H3C(O)CH3
  360500.8126  0.0033 -4.4025 3  107.2733328 -5951614042014 6 2    1913 6 2      C-13-H3C(O)CH3
  360508.7661  0.0120 -5.8484 3  448.7080388  59516140448 742 4    48 543 4      C-13-H3C(O)CH3
  360508.7661  0.0120 -4.8105 3  448.7080388  59516140448 742 4    48 643 4      C-13-H3C(O)CH3
  360508.7661  0.0120 -4.8105 3  448.7080388  59516140448 642 4    48 543 4      C-13-H3C(O)CH3
  360508.7661  0.0120 -5.8484 3  448.7080388  59516140448 642 4    48 643 4      C-13-H3C(O)CH3
  360509.1697  0.0115 -4.7750 3  448.7079388  59516140448 642 3    48 643 3      C-13-H3C(O)CH3
  360509.1697  0.0115 -4.7750 3  448.7079388  59516140448 742 3    48 543 3      C-13-H3C(O)CH3
  360520.1400  0.0122 -4.6487 3  246.3865488  595161404301911 2    292010 2      C-13-H3C(O)CH3
  360527.9709  0.0100 -4.6374 3  246.4062488  595161404301911 0    292010 0      C-13-H3C(O)CH3
  360575.8947  0.3215 -6.7329 3 1793.7602C40  595161404776314 2    776215 2      C-13-H3C(O)CH3
  360597.3891  0.0120 -5.3228 3  264.5493504  595161404312011 1    3021 9 1      C-13-H3C(O)CH3
  360602.9365  0.2727 -6.4708 3 1605.2932B60  595161404726210 2    726111 2      C-13-H3C(O)CH3
  360609.7005  0.0081 -5.7996 3   31.0358232  59516140414 212 2    13 113 2      C-13-H3C(O)CH3
  360609.7009  0.0081 -5.7996 3   31.0358232  59516140414 312 2    13 013 2      C-13-H3C(O)CH3
  360611.7913  0.0079 -5.7998 3   31.0363232  59516140414 212 1    13 113 1      C-13-H3C(O)CH3
  360611.7917  0.0079 -5.7998 3   31.0363232  59516140414 312 1    13 013 1      C-13-H3C(O)CH3
  360615.6613  0.2230 -6.7718 3 1605.2783580  595161404726210 4    726111 4      C-13-H3C(O)CH3
  360631.9144  0.3099 -6.7328 3 1793.7531C40  595161404776314 1    776215 1      C-13-H3C(O)CH3
  360665.0254  0.3394 -6.2945 3 1397.7964A64  5951614046661 5 0    6660 7 0      C-13-H3C(O)CH3
  360665.0254  0.3394 -6.2945 3 1397.7964A64  5951614046661 6 0    6660 6 0      C-13-H3C(O)CH3
  360669.3985  0.0164 -5.8007 3  264.5261252  595161404312011 3    3021 9 3      C-13-H3C(O)CH3
  360675.2870  0.2592 -6.2945 3 1397.7869A64  5951614046661 6 1    6660 7 1      C-13-H3C(O)CH3
  360675.7621  0.3760 -6.4707 3 1605.3103B60  595161404726211 0    726111 0      C-13-H3C(O)CH3
  360675.7621  0.3760 -6.4707 3 1605.3103B60  595161404726210 0    726112 0      C-13-H3C(O)CH3
  360688.8143  0.2735 -6.4707 3 1605.2953B60  595161404726210 1    726111 1      C-13-H3C(O)CH3
  360706.1337  0.0103 -5.4293 3  448.7198776 -59516140448 642 2    48 543 2      C-13-H3C(O)CH3
  360706.1337  0.0103 -4.5214 3  448.7198776 -59516140448 742 2    48 543 2      C-13-H3C(O)CH3
  360706.1991  0.0103 -4.5214 3  448.7198776  59516140448 642 2    48 643 2      C-13-H3C(O)CH3
  360706.1991  0.0103 -5.4293 3  448.7198776  59516140448 742 2    48 643 2      C-13-H3C(O)CH3
  360706.6915  0.0109 -4.5712 3  448.7203776  59516140448 642 1    48 643 1      C-13-H3C(O)CH3
  360706.6915  0.0109 -4.5712 3  448.7203776  59516140448 742 1    48 543 1      C-13-H3C(O)CH3
  360706.8845  0.0109 -5.1562 3  448.7203776 -59516140448 742 1    48 643 1      C-13-H3C(O)CH3
  360706.8845  0.0109 -5.1562 3  448.7203776 -59516140448 642 1    48 543 1      C-13-H3C(O)CH3
  360708.3159  0.2072 -6.7717 3 1605.2594580  595161404726210 3    726111 3      C-13-H3C(O)CH3
  360714.4528  0.4140 -6.7327 3 1793.7836C40  595161404776314 0    776216 0      C-13-H3C(O)CH3
  360714.4528  0.4140 -6.7327 3 1793.7836C40  595161404776315 0    776215 0      C-13-H3C(O)CH3
  360743.2510  0.3474 -6.7325 3 1793.7363C40  595161404776315 2    776216 2      C-13-H3C(O)CH3
  360765.8956  0.0138 -6.1418 3  519.7566356  595161404442321 3    432618 3      C-13-H3C(O)CH3
  360773.1467  0.2824 -6.4705 3 1605.2690B60  595161404726211 2    726112 2      C-13-H3C(O)CH3
  360777.2878  0.2656 -6.2944 3 1397.8134A64  5951614046661 5 1    6660 6 1      C-13-H3C(O)CH3
  360779.9687  0.0141 -6.1418 3  519.7561356  595161404442321 4    432618 4      C-13-H3C(O)CH3
  360780.9030  0.2704 -6.4705 3 1605.2765B60  595161404726211 1    726112 1      C-13-H3C(O)CH3
  360785.9741  0.2362 -6.7716 3 1605.2541580  595161404726211 3    726112 3      C-13-H3C(O)CH3
  360795.6807  0.2807 -6.2943 3 1397.7994A64  5951614046661 5 2    6660 6 2      C-13-H3C(O)CH3
  360806.4099  0.2277 -6.5954 3 1397.7899532  5951614046661 6 3    6660 7 3      C-13-H3C(O)CH3
  360814.8283  0.0139 -5.8752 3  419.7225380  59516140447 642 4    47 443 4      C-13-H3C(O)CH3
  360814.8283  0.0139 -4.8243 3  419.7225380  59516140447 642 4    47 543 4      C-13-H3C(O)CH3
  360814.8283  0.0139 -4.8243 3  419.7225380  59516140447 542 4    47 443 4      C-13-H3C(O)CH3
  360814.8283  0.0139 -5.8752 3  419.7225380  59516140447 542 4    47 543 4      C-13-H3C(O)CH3
  360815.1871  0.0133 -4.9423 3  419.7225380  59516140447 642 3    47 543 3      C-13-H3C(O)CH3
  360815.1871  0.0133 -5.3101 3  419.7225380  59516140447 542 3    47 543 3      C-13-H3C(O)CH3
  360815.1871  0.0133 -5.3101 3  419.7225380  59516140447 642 3    47 443 3      C-13-H3C(O)CH3
  360815.1871  0.0133 -4.9423 3  419.7225380  59516140447 542 3    47 443 3      C-13-H3C(O)CH3
  360831.3619  0.3328 -6.7324 3 1793.7359C40  595161404776315 1    776216 1      C-13-H3C(O)CH3
  360852.2294  0.2598 -6.2943 3 1397.7842A64  5951614046661 6 2    6660 7 2      C-13-H3C(O)CH3
  360857.6595  0.0160 -5.8417 3  519.7765712  595161404442321 1    432618 1      C-13-H3C(O)CH3
  360858.2183  0.0157 -5.8400 3  519.7726712  595161404442321 2    432618 2      C-13-H3C(O)CH3
  360862.0167  0.2458 -6.5954 3 1397.7746532  5951614046661 6 4    6660 7 4      C-13-H3C(O)CH3
  360877.9209  0.2360 -6.7714 3 1605.2353580  595161404726211 4    726112 4      C-13-H3C(O)CH3
  360879.6905  0.1682 -6.7210 3 1744.0421660  595161404823745 4    823646 4      C-13-H3C(O)CH3
  360879.6905  0.1682 -6.7211 3 1744.0421660  595161404823845 4    823746 4      C-13-H3C(O)CH3
  360879.7655  0.1682 -6.7210 3 1744.0420660  595161404823745 3    823646 3      C-13-H3C(O)CH3
  360879.7655  0.1682 -6.7211 3 1744.0420660  595161404823845 3    823746 3      C-13-H3C(O)CH3
  360903.4051  0.0094 -5.4228 3  448.7321776  59516140448 642 0    48 643 0      C-13-H3C(O)CH3
  360903.4051  0.0094 -5.4228 3  448.7321776  59516140448 742 0    48 543 0      C-13-H3C(O)CH3
  360903.4312  0.0094 -4.5216 3  448.7321776 -59516140448 742 0    48 643 0      C-13-H3C(O)CH3
  360903.4312  0.0094 -4.5216 3  448.7321776 -59516140448 642 0    48 543 0      C-13-H3C(O)CH3
  360907.9612  0.0119 -4.7213 3  264.5331504  595161404312011 2    302110 2      C-13-H3C(O)CH3
  360908.5826  0.2609 -6.5953 3 1397.8163532  5951614046661 5 4    6660 6 4      C-13-H3C(O)CH3
  360910.2485  0.0093 -4.6983 3  264.5541504  595161404312011 0    302110 0      C-13-H3C(O)CH3
  360915.4168  0.1842 -6.4233 3 1744.0373D20  595161404823845 2    823746 2      C-13-H3C(O)CH3
  360915.4168  0.1842 -6.4231 3 1744.0373D20  595161404823745 2    823646 2      C-13-H3C(O)CH3
  360917.9845  0.2014 -6.4199 3 1744.0341D20  595161404823745 1    823646 1      C-13-H3C(O)CH3
  360917.9845  0.2014 -6.4198 3 1744.0341D20  595161404823845 1    823746 1      C-13-H3C(O)CH3
  360919.7380  0.0264 -5.2399 3  980.2381A32  595161404642143 0    642144 0      C-13-H3C(O)CH3
  360919.7380  0.0264 -5.5435 3  980.2381A32  595161404642143 0    642044 0      C-13-H3C(O)CH3
  360919.7380  0.0264 -5.5435 3  980.2381A32  595161404642243 0    642144 0      C-13-H3C(O)CH3
  360919.7380  0.0264 -5.2399 3  980.2381A32  595161404642243 0    642044 0      C-13-H3C(O)CH3
  360942.7071  0.0152 -5.8410 3  519.7927712  595161404442321 0    432618 0      C-13-H3C(O)CH3
  360953.5751  0.2042 -6.4205 3 1744.0294D20  595161404823745 0    823646 0      C-13-H3C(O)CH3
  360953.5751  0.2042 -6.4210 3 1744.0294D20  595161404823845 0    823746 0      C-13-H3C(O)CH3
  360964.7591  0.2361 -6.5953 3 1397.8011532  5951614046661 5 3    6660 6 3      C-13-H3C(O)CH3
  360973.4128  0.0169 -4.9590 3  246.3615244  595161404301911 3    292010 3      C-13-H3C(O)CH3
  360977.7685  0.0211 -5.6302 3  458.0172632  5951614043932 8 0    3833 5 0      C-13-H3C(O)CH3
  360977.7688  0.0211 -5.6302 3  458.0172632  5951614043932 7 0    3833 6 0      C-13-H3C(O)CH3
  360983.6250  0.0206 -5.6310 3  458.0071632  5951614043932 7 1    3833 5 1      C-13-H3C(O)CH3
  360983.6989  0.0307 -5.0646 3  980.2428A32  595161404642243 1    642044 1      C-13-H3C(O)CH3
  360983.6989  0.0307 -5.0646 3  980.2428A32  595161404642143 1    642144 1      C-13-H3C(O)CH3
  360987.1702  0.0339 -5.0717 3  980.2431A32  595161404642243 2    642044 2      C-13-H3C(O)CH3
  360987.1702  0.0339 -5.0717 3  980.2431A32  595161404642143 2    642144 2      C-13-H3C(O)CH3
  361006.2423  0.0064 -6.5533 3  116.6163360  59516140422 913 2    22 616 2      C-13-H3C(O)CH3
  361008.2378  0.0030 -3.7894 3  103.2711156 -5951614041916 3 4    1815 3 4      C-13-H3C(O)CH3
  361014.5558  0.0064 -6.5533 3  116.6163360  595161404221013 2    22 716 2      C-13-H3C(O)CH3
  361016.8071  0.0082 -5.7981 3   30.9634232  59516140414 212 0    13 113 0      C-13-H3C(O)CH3
  361016.8075  0.0082 -5.7981 3   30.9634232  59516140414 312 0    13 013 0      C-13-H3C(O)CH3
  361042.4245  0.0064 -6.5534 3  116.6173360  59516140422 913 1    22 616 1      C-13-H3C(O)CH3
  361050.4309  0.0064 -6.5534 3  116.6173360  595161404221013 1    22 716 1      C-13-H3C(O)CH3
  361051.2303  0.0281 -5.9372 3  980.2478516  595161404642243 3    642044 3      C-13-H3C(O)CH3
  361051.2303  0.0281 -5.5007 3  980.2478516  595161404642243 3    642144 3      C-13-H3C(O)CH3
  361051.2303  0.0281 -5.9372 3  980.2478516  595161404642143 3    642144 3      C-13-H3C(O)CH3
  361051.2303  0.0281 -5.5007 3  980.2478516  595161404642143 3    642044 3      C-13-H3C(O)CH3
  361051.3869  0.0282 -5.3700 3  980.2478516  595161404642243 4    642044 4      C-13-H3C(O)CH3
  361051.3869  0.0282 -5.3700 3  980.2478516  595161404642143 4    642144 4      C-13-H3C(O)CH3
  361056.8596  0.0028 -3.7896 3  103.2026156 -5951614041916 3 3    1815 3 3      C-13-H3C(O)CH3
  361081.4261  0.0110 -4.4997 3  419.7244760  59516140447 542 2    47 443 2      C-13-H3C(O)CH3
  361081.4261  0.0110 -5.9758 3  419.7244760  59516140447 642 2    47 443 2      C-13-H3C(O)CH3
  361081.4261  0.0110 -5.9758 3  419.7244760  59516140447 542 2    47 543 2      C-13-H3C(O)CH3
  361081.4261  0.0110 -4.4997 3  419.7244760  59516140447 642 2    47 543 2      C-13-H3C(O)CH3
  361081.8482  0.0121 -4.9404 3  419.7248760  59516140447 642 1    47 443 1      C-13-H3C(O)CH3
  361081.8482  0.0121 -4.9404 3  419.7248760  59516140447 542 1    47 543 1      C-13-H3C(O)CH3
  361081.8482  0.0121 -4.6732 3  419.7248760  59516140447 542 1    47 443 1      C-13-H3C(O)CH3
  361081.8482  0.0121 -4.6732 3  419.7248760  59516140447 642 1    47 543 1      C-13-H3C(O)CH3
  361091.2961  0.0031 -3.7894 3  103.1963156 -5951614041916 4 3    1815 4 3      C-13-H3C(O)CH3
  361092.5931  0.0132 -4.6899 3  246.3772488  595161404301911 1    292010 1      C-13-H3C(O)CH3
  361095.8036  0.0170 -4.8260 3  391.3303372  59516140446 542 4    46 343 4      C-13-H3C(O)CH3
  361095.8036  0.0170 -6.7728 3  391.3303372  59516140446 542 4    46 443 4      C-13-H3C(O)CH3
  361095.8036  0.0170 -6.7728 3  391.3303372  59516140446 442 4    46 343 4      C-13-H3C(O)CH3
  361095.8036  0.0170 -4.8260 3  391.3303372  59516140446 442 4    46 443 4      C-13-H3C(O)CH3
  361096.0395  0.0162 -6.4399 3  391.3302372  59516140446 442 3    46 343 3      C-13-H3C(O)CH3
  361096.0395  0.0162 -6.4399 3  391.3302372  59516140446 542 3    46 443 3      C-13-H3C(O)CH3
  361096.0395  0.0162 -4.8317 3  391.3302372  59516140446 442 3    46 443 3      C-13-H3C(O)CH3
  361096.0395  0.0162 -4.8317 3  391.3302372  59516140446 542 3    46 343 3      C-13-H3C(O)CH3
  361137.8435  0.0021 -3.8051 3  200.3611244 -59516140430 822 3    29 921 3      C-13-H3C(O)CH3
  361137.8435  0.0021 -3.8051 3  200.3611244 -59516140430 822 4    29 921 4      C-13-H3C(O)CH3
  361137.8435  0.0021 -3.8051 3  200.3611244 -59516140430 922 3    29 821 3      C-13-H3C(O)CH3
  361137.8435  0.0021 -3.8051 3  200.3611244 -59516140430 922 4    29 821 4      C-13-H3C(O)CH3
  361140.3795  0.0030 -3.7893 3  103.1278156 -5951614041916 4 4    1815 4 4      C-13-H3C(O)CH3
  361182.1101  0.0212 -5.0232 3  246.3540244  595161404301911 4    292010 4      C-13-H3C(O)CH3
  361195.6711  0.0024 -3.5040 3  200.3638488 -59516140430 822 1    29 921 1      C-13-H3C(O)CH3
  361195.6711  0.0024 -3.5040 3  200.3638488 -59516140430 922 1    29 821 1      C-13-H3C(O)CH3
  361197.3615  0.0024 -3.5041 3  200.3626488 -59516140430 822 2    29 921 2      C-13-H3C(O)CH3
  361197.3615  0.0024 -3.5041 3  200.3626488 -59516140430 922 2    29 821 2      C-13-H3C(O)CH3
  361221.5612  0.0727 -6.0593 3 1383.1953596  595161404743144 4    743045 4      C-13-H3C(O)CH3
  361221.5612  0.0727 -6.0579 3 1383.1953596  595161404743044 4    742945 4      C-13-H3C(O)CH3
  361221.5640  0.0726 -6.0577 3 1383.1952596  595161404743144 3    743045 3      C-13-H3C(O)CH3
  361221.5640  0.0726 -6.0577 3 1383.1952596  595161404743044 3    742945 3      C-13-H3C(O)CH3
  361232.8831  0.0027 -3.4877 3  103.2385312 -5951614041916 3 1    1815 3 1      C-13-H3C(O)CH3
  361237.7681  0.0726 -5.8017 3 1383.1744B92  595161404743144 1    742945 1      C-13-H3C(O)CH3
  361237.7681  0.0726 -5.7630 3 1383.1744B92  595161404743044 1    743045 1      C-13-H3C(O)CH3
  361241.6307  0.0739 -5.9183 3 1383.1767B92  595161404743144 2    743045 2      C-13-H3C(O)CH3
  361241.6307  0.0739 -6.7318 3 1383.1767B92  595161404743044 2    742945 2      C-13-H3C(O)CH3
  361241.6307  0.0739 -5.8048 3 1383.1767B92  595161404743044 2    743045 2      C-13-H3C(O)CH3
  361241.6307  0.0739 -6.2629 3 1383.1767B92  595161404743144 2    742945 2      C-13-H3C(O)CH3
  361251.8835  0.0227 -5.6299 3  457.9676632  5951614043932 8 1    3833 6 1      C-13-H3C(O)CH3
  361254.9947  0.0021 -3.5040 3  200.3653488 -59516140430 922 0    29 821 0      C-13-H3C(O)CH3
  361254.9947  0.0021 -3.5040 3  200.3653488 -59516140430 822 0    29 921 0      C-13-H3C(O)CH3
  361257.8533  0.0742 -5.8732 3 1383.1559B92  595161404743144 0    743045 0      C-13-H3C(O)CH3
  361257.8533  0.0742 -6.3828 3 1383.1559B92  595161404743144 0    742945 0      C-13-H3C(O)CH3
  361257.8533  0.0742 -6.3828 3 1383.1559B92  595161404743044 0    743045 0      C-13-H3C(O)CH3
  361257.8533  0.0742 -5.8732 3 1383.1559B92  595161404743044 0    742945 0      C-13-H3C(O)CH3
  361279.8176  0.0206 -5.6301 3  458.0034632  5951614043932 7 2    3833 5 2      C-13-H3C(O)CH3
  361285.3367  0.0028 -3.4874 3  103.2449312 -5951614041916 3 2    1815 3 2      C-13-H3C(O)CH3
  361285.7910  0.0237 -5.9320 3  457.9933316  5951614043932 7 4    3833 5 4      C-13-H3C(O)CH3
  361287.9942  0.0155 -5.6437 3  445.6519648  595161404402615 0    402318 0      C-13-H3C(O)CH3
  361315.3423  0.0028 -3.4875 3  103.1638312 -5951614041916 4 1    1815 4 1      C-13-H3C(O)CH3
  361321.2941  0.0077 -5.8825 3  239.3342488  595161404301714 2    301417 2      C-13-H3C(O)CH3
  361325.1794  0.0088 -6.1846 3  239.3190244  595161404301714 4    301417 4      C-13-H3C(O)CH3
  361325.7479  0.0079 -6.1846 3  239.3190244  595161404301714 3    301417 3      C-13-H3C(O)CH3
  361333.6304  0.0028 -3.4874 3  103.1765312 -5951614041916 4 2    1815 4 2      C-13-H3C(O)CH3
  361345.2556  0.0211 -5.6289 3  457.9831632  5951614043932 8 2    3833 6 2      C-13-H3C(O)CH3
  361345.6588  0.0174 -5.0721 3  264.5035252  595161404312011 3    302110 3      C-13-H3C(O)CH3
  361347.6254  0.0104 -5.1933 3  419.7267760  59516140447 542 0    47 443 0      C-13-H3C(O)CH3
  361347.6254  0.0104 -4.5792 3  419.7267760  59516140447 542 0    47 543 0      C-13-H3C(O)CH3
  361347.6254  0.0104 -4.5792 3  419.7267760  59516140447 642 0    47 443 0      C-13-H3C(O)CH3
  361347.6254  0.0104 -5.1933 3  419.7267760  59516140447 642 0    47 543 0      C-13-H3C(O)CH3
  361349.6082  0.0236 -5.9307 3  457.9731316  5951614043932 7 3    3833 5 3      C-13-H3C(O)CH3
  361352.2258  0.0213 -5.5015 3  363.5321364  59516140445 442 4    45 343 4      C-13-H3C(O)CH3
  361352.2258  0.0213 -5.0041 3  363.5321364  59516140445 342 4    45 343 4      C-13-H3C(O)CH3
  361352.2258  0.0213 -5.0041 3  363.5321364  59516140445 442 4    45 243 4      C-13-H3C(O)CH3
  361352.2258  0.0213 -5.5015 3  363.5321364  59516140445 342 4    45 243 4      C-13-H3C(O)CH3
  361352.2316  0.0204 -6.2756 3  363.5321364  59516140445 342 3    45 243 3      C-13-H3C(O)CH3
  361352.2316  0.0204 -6.2756 3  363.5321364  59516140445 442 3    45 343 3      C-13-H3C(O)CH3
  361352.2316  0.0204 -4.9021 3  363.5321364  59516140445 442 3    45 243 3      C-13-H3C(O)CH3
  361352.2316  0.0204 -4.9021 3  363.5321364  59516140445 342 3    45 343 3      C-13-H3C(O)CH3
  361356.5030  0.0061 -6.5501 3  116.5944360  59516140422 913 0    22 616 0      C-13-H3C(O)CH3
  361364.8237  0.0061 -6.5501 3  116.5944360  595161404221013 0    22 716 0      C-13-H3C(O)CH3
  361393.3134  0.0071 -5.8812 3  239.3524488  595161404301714 0    301417 0      C-13-H3C(O)CH3
  361397.5457  0.0077 -5.8825 3  239.3372488  595161404301714 1    301417 1      C-13-H3C(O)CH3
  361423.5223  0.0149 -5.6450 3  445.6304648  595161404402615 1    402318 1      C-13-H3C(O)CH3
  361441.0863  0.0144 -4.7597 3  391.3194744  59516140446 442 2    46 443 2      C-13-H3C(O)CH3
  361441.0863  0.0144 -4.7597 3  391.3194744  59516140446 542 2    46 343 2      C-13-H3C(O)CH3
  361441.2301  0.0144 -4.8900 3  391.3194744 -59516140446 542 2    46 443 2      C-13-H3C(O)CH3
  361441.2301  0.0144 -4.8900 3  391.3194744 -59516140446 442 2    46 343 2      C-13-H3C(O)CH3
  361441.4749  0.0160 -6.1335 3  391.3199744  59516140446 442 1    46 343 1      C-13-H3C(O)CH3
  361441.4749  0.0160 -6.1335 3  391.3199744  59516140446 542 1    46 443 1      C-13-H3C(O)CH3
  361441.4749  0.0160 -4.5298 3  391.3199744  59516140446 442 1    46 443 1      C-13-H3C(O)CH3
  361441.4749  0.0160 -4.5298 3  391.3199744  59516140446 542 1    46 343 1      C-13-H3C(O)CH3
  361458.6579  0.0132 -4.8146 3  264.5206504  595161404312011 1    302110 1      C-13-H3C(O)CH3
  361472.9877  0.0073 -5.1051 3  276.5567260  595161404321914 3    312011 3      C-13-H3C(O)CH3
  361486.9662  0.0045 -5.1047 3  276.5562260  595161404321914 4    312011 4      C-13-H3C(O)CH3
  361505.4388  0.0028 -3.4867 3  103.2125312 -5951614041916 4 0    1815 3 0      C-13-H3C(O)CH3
  361512.3046  0.0028 -3.4867 3  103.2123312 -5951614041916 3 0    1815 4 0      C-13-H3C(O)CH3
  361533.3196  0.0219 -5.1485 3  264.4967252  595161404312011 4    302110 4      C-13-H3C(O)CH3
  361552.1510  0.0240 -5.9309 3  457.9539316  5951614043932 8 3    3833 6 3      C-13-H3C(O)CH3
  361562.5318  0.0054 -4.8045 3  276.5775520  595161404321914 1    312011 1      C-13-H3C(O)CH3
  361566.7241  0.0053 -4.8008 3  276.5717520  595161404321914 2    312011 2      C-13-H3C(O)CH3
  361576.3059  0.0124 -4.5608 3  228.9119472  595161404291811 2    281910 2      C-13-H3C(O)CH3
  361584.2814  0.0261 -5.1781 3  336.3291356  59516140444 342 3    44 243 3      C-13-H3C(O)CH3
  361584.2814  0.0261 -5.4714 3  336.3291356  59516140444 242 3    44 243 3      C-13-H3C(O)CH3
  361584.2814  0.0261 -5.4714 3  336.3291356  59516140444 342 3    44 143 3      C-13-H3C(O)CH3
  361584.2814  0.0261 -5.1781 3  336.3291356  59516140444 242 3    44 143 3      C-13-H3C(O)CH3
  361584.6490  0.0270 -5.1924 3  336.3291356  59516140444 342 4    44 243 4      C-13-H3C(O)CH3
  361584.6490  0.0270 -5.1924 3  336.3291356  59516140444 242 4    44 143 4      C-13-H3C(O)CH3
  361584.6490  0.0270 -5.4445 3  336.3291356  59516140444 342 4    44 143 4      C-13-H3C(O)CH3
  361584.6490  0.0270 -5.4445 3  336.3291356  59516140444 242 4    44 243 4      C-13-H3C(O)CH3
  361588.1763  0.0107 -4.5567 3  228.9296472  595161404291811 0    281910 0      C-13-H3C(O)CH3
  361616.2175  0.0260 -5.9297 3  457.9335316  5951614043932 8 4    3833 6 4      C-13-H3C(O)CH3
  361628.6790  0.0167 -5.6495 3  445.6250648  595161404402615 2    402318 2      C-13-H3C(O)CH3
  361648.7125  0.2731 -6.3053 3 1366.9112A48  5951614046561 5 1    6560 6 1      C-13-H3C(O)CH3
  361650.0702  0.0245 -5.2881 3  941.8901A16  595161404632143 0    632044 0      C-13-H3C(O)CH3
  361650.0702  0.0245 -5.3202 3  941.8901A16  595161404632143 0    631944 0      C-13-H3C(O)CH3
  361650.0702  0.0245 -5.2881 3  941.8901A16  595161404632043 0    631944 0      C-13-H3C(O)CH3
  361650.0702  0.0245 -5.3202 3  941.8901A16  595161404632043 0    632044 0      C-13-H3C(O)CH3
  361650.1332  0.0044 -4.8015 3  276.5927520  595161404321914 0    312011 0      C-13-H3C(O)CH3
  361662.8702  0.0220 -6.2285 3  370.6191584  595161404362611 1    362313 1      C-13-H3C(O)CH3
  361670.9001  0.3517 -6.3052 3 1366.9165A48  5951614046561 5 0    6560 5 0      C-13-H3C(O)CH3
  361670.9001  0.3517 -6.3052 3 1366.9165A48  5951614046561 4 0    6560 6 0      C-13-H3C(O)CH3
  361698.8668  0.0155 -5.9562 3  445.6035324  595161404402615 4    402318 4      C-13-H3C(O)CH3
  361709.3281  0.0315 -6.5065 3  370.5946292  595161404362611 4    362313 4      C-13-H3C(O)CH3
  361722.6028  0.0288 -5.0051 3  941.8910A16  595161404632043 1    632044 1      C-13-H3C(O)CH3
  361722.6028  0.0288 -5.0051 3  941.8910A16  595161404632143 1    631944 1      C-13-H3C(O)CH3
  361725.5978  0.0312 -5.0211 3  941.8912A16  595161404632143 2    632044 2      C-13-H3C(O)CH3
  361725.5978  0.0312 -5.0211 3  941.8912A16  595161404632043 2    631944 2      C-13-H3C(O)CH3
  361725.5978  0.0312 -6.3824 3  941.8912A16  595161404632043 2    632044 2      C-13-H3C(O)CH3
  361725.5978  0.0312 -6.3824 3  941.8912A16  595161404632143 2    631944 2      C-13-H3C(O)CH3
  361785.8708  0.0134 -5.1541 3  391.3091744  59516140446 542 0    46 443 0      C-13-H3C(O)CH3
  361785.8708  0.0134 -4.6321 3  391.3091744  59516140446 542 0    46 343 0      C-13-H3C(O)CH3
  361785.8708  0.0134 -4.6321 3  391.3091744  59516140446 442 0    46 443 0      C-13-H3C(O)CH3
  361785.8708  0.0134 -5.1541 3  391.3091744  59516140446 442 0    46 343 0      C-13-H3C(O)CH3
  361786.1010  0.0212 -4.5848 3  363.5057728  59516140445 342 2    45 343 2      C-13-H3C(O)CH3
  361786.1010  0.0212 -6.7290 3  363.5057728  59516140445 442 2    45 343 2      C-13-H3C(O)CH3
  361786.1010  0.0212 -4.5848 3  363.5057728  59516140445 442 2    45 243 2      C-13-H3C(O)CH3
  361786.1010  0.0212 -6.7290 3  363.5057728  59516140445 342 2    45 243 2      C-13-H3C(O)CH3
  361786.5251  0.0230 -6.0547 3  363.5061728  59516140445 342 1    45 243 1      C-13-H3C(O)CH3
  361786.5251  0.0230 -4.5967 3  363.5061728  59516140445 342 1    45 343 1      C-13-H3C(O)CH3
  361786.5251  0.0230 -6.0547 3  363.5061728  59516140445 442 1    45 343 1      C-13-H3C(O)CH3
  361786.5251  0.0230 -4.5967 3  363.5061728  59516140445 442 1    45 243 1      C-13-H3C(O)CH3
  361792.7284  0.0336 -5.2876 3  309.7220348  59516140443 242 3    43 143 3      C-13-H3C(O)CH3
  361792.7284  0.0336 -6.2308 3  309.7220348  59516140443 242 3    43 043 3      C-13-H3C(O)CH3
  361792.7284  0.0336 -6.2308 3  309.7220348  59516140443 142 3    43 143 3      C-13-H3C(O)CH3
  361792.7284  0.0336 -5.2876 3  309.7220348  59516140443 142 3    43 043 3      C-13-H3C(O)CH3
  361793.6553  0.0345 -5.2473 3  309.7220348  59516140443 242 4    43 143 4      C-13-H3C(O)CH3
  361793.6553  0.0345 -5.2473 3  309.7220348  59516140443 142 4    43 043 4      C-13-H3C(O)CH3
  361794.7468  0.2796 -6.3051 3 1366.9406A48  5951614046561 4 1    6560 5 1      C-13-H3C(O)CH3
  361796.4140  0.0108 -5.6868 3  354.5390584  595161404362215 0    361918 0      C-13-H3C(O)CH3
  361798.2357  0.0258 -5.5295 3  941.8921508  595161404632043 3    632044 3      C-13-H3C(O)CH3
  361798.2357  0.0258 -5.6951 3  941.8921508  595161404632043 3    631944 3      C-13-H3C(O)CH3
  361798.2357  0.0258 -5.6951 3  941.8921508  595161404632143 3    632044 3      C-13-H3C(O)CH3
  361798.2357  0.0258 -5.5295 3  941.8921508  595161404632143 3    631944 3      C-13-H3C(O)CH3
  361798.4011  0.0259 -5.3370 3  941.8921508  595161404632143 4    632044 4      C-13-H3C(O)CH3
  361798.4011  0.0259 -6.4319 3  941.8921508  595161404632143 4    631944 4      C-13-H3C(O)CH3
  361798.4011  0.0259 -6.4319 3  941.8921508  595161404632043 4    632044 4      C-13-H3C(O)CH3
  361798.4011  0.0259 -5.3370 3  941.8921508  595161404632043 4    631944 4      C-13-H3C(O)CH3
  361825.5033  0.0179 -5.9468 3  445.6036324  595161404402615 3    402318 3      C-13-H3C(O)CH3
  361835.5397  0.2434 -6.6061 3 1366.9205524  5951614046561 5 3    6560 6 3      C-13-H3C(O)CH3
  361844.4025  0.2606 -6.6061 3 1366.9072524  5951614046561 5 4    6560 6 4      C-13-H3C(O)CH3
  361850.4832  0.0057 -4.1806 3  150.8616196  595161404241411 4    231310 4      C-13-H3C(O)CH3
  361857.3921  0.2979 -6.3050 3 1366.9257A48  5951614046561 4 2    6560 5 2      C-13-H3C(O)CH3
  361859.4198  0.0233 -6.0896 3  370.6191584  595161404362610 1    362313 1      C-13-H3C(O)CH3
  361867.0901  0.2718 -6.3050 3 1366.9125A48  5951614046561 5 2    6560 6 2      C-13-H3C(O)CH3
  361879.5738  0.0064 -4.1806 3  150.8608196  595161404241411 3    231310 3      C-13-H3C(O)CH3
  361886.0595  0.0110 -5.6872 3  354.5106584  595161404362215 2    361918 2      C-13-H3C(O)CH3
  361888.3264  0.0109 -5.6871 3  354.5151584  595161404362215 1    361918 1      C-13-H3C(O)CH3
  361899.8132  0.0333 -6.5205 3  370.5948292  595161404362611 3    362313 3      C-13-H3C(O)CH3
  361926.4945  0.0086 -5.8030 3   49.6145232  5951614041411 4 1    13 8 6 1      C-13-H3C(O)CH3
  361936.1966  0.2761 -6.4373 3 1571.4685B44  5951614047162 9 2    716110 2      C-13-H3C(O)CH3
  361974.1584  0.2347 -6.7383 3 1571.4580572  5951614047162 9 4    716110 4      C-13-H3C(O)CH3
  361974.5638  0.0108 -5.9884 3  354.4867292  595161404362215 4    361918 4      C-13-H3C(O)CH3
  361975.0352  0.3757 -6.4372 3 1571.4839B44  5951614047162 9 0    716111 0      C-13-H3C(O)CH3
  361975.0352  0.3757 -6.4372 3 1571.4839B44  595161404716210 0    716110 0      C-13-H3C(O)CH3
  361978.5830  0.0106 -5.9884 3  354.4867292  595161404362215 3    361918 3      C-13-H3C(O)CH3
  361980.7446  0.1357 -6.1732 3  807.2349436  595161404543321 3    543024 3      C-13-H3C(O)CH3
  361982.2138  0.2782 -6.6060 3 1366.9497524  5951614046561 4 4    6560 5 4      C-13-H3C(O)CH3
  361987.2869  0.0044 -4.2916 3  107.1203164  5951614042014 7 4    1913 7 4      C-13-H3C(O)CH3
  361991.3059  0.2481 -6.6060 3 1366.9366524  5951614046561 4 3    6560 5 3      C-13-H3C(O)CH3
  362013.2341  0.2757 -6.4372 3 1571.4734B44  5951614047162 9 1    716110 1      C-13-H3C(O)CH3
  362019.9554  0.1296 -6.1736 3  807.2350436  595161404543321 4    543024 4      C-13-H3C(O)CH3
  362027.3605  0.0055 -3.8796 3  150.8588392 -595161404241411 1    231310 1      C-13-H3C(O)CH3
  362030.9918  0.2073 -6.7382 3 1571.4390572  595161404716210 3    716110 3      C-13-H3C(O)CH3
  362032.8348  0.0193 -5.8532 3  370.6379584  595161404362610 0    362313 0      C-13-H3C(O)CH3
  362041.7133  0.2183 -5.9100 3  816.0671872  595161404543519 0    543222 0      C-13-H3C(O)CH3
  362047.7720  0.0164 -4.8606 3  228.8915236  595161404291811 3    281910 3      C-13-H3C(O)CH3
  362065.3010  0.0267 -6.2088 3  370.6136584  595161404362611 2    362313 2      C-13-H3C(O)CH3
  362069.5062  0.2692 -6.4371 3 1571.4544B44  595161404716210 1    716111 1      C-13-H3C(O)CH3
  362094.9337  0.2779 -6.4370 3 1571.4463B44  595161404716210 2    716111 2      C-13-H3C(O)CH3
  362117.3439  0.0315 -4.8920 3  336.2840712  59516140444 342 2    44 143 2      C-13-H3C(O)CH3
  362117.3439  0.0315 -5.1373 3  336.2840712  59516140444 342 2    44 243 2      C-13-H3C(O)CH3
  362117.3439  0.0315 -4.8920 3  336.2840712  59516140444 242 2    44 243 2      C-13-H3C(O)CH3
  362117.3439  0.0315 -5.1373 3  336.2840712  59516140444 242 2    44 143 2      C-13-H3C(O)CH3
  362117.9079  0.0335 -4.8595 3  336.2844712  59516140444 342 1    44 143 1      C-13-H3C(O)CH3
  362117.9079  0.0335 -5.2018 3  336.2844712  59516140444 342 1    44 243 1      C-13-H3C(O)CH3
  362117.9079  0.0335 -5.2018 3  336.2844712  59516140444 242 1    44 143 1      C-13-H3C(O)CH3
  362117.9079  0.0335 -4.8595 3  336.2844712  59516140444 242 1    44 243 1      C-13-H3C(O)CH3
  362132.9585  0.2347 -6.7381 3 1571.4359572  5951614047162 9 3    716111 3      C-13-H3C(O)CH3
  362141.8495  0.0131 -4.5735 3  228.9062472  595161404291811 1    281910 1      C-13-H3C(O)CH3
  362148.1847  0.0022 -6.2646 3  206.0904252  59516140431 824 4    30 723 4      C-13-H3C(O)CH3
  362148.1847  0.0022 -3.7706 3  206.0904252  59516140431 724 4    30 723 4      C-13-H3C(O)CH3
  362148.2020  0.0021 -3.7817 3  206.0904252 -59516140431 824 3    30 823 3      C-13-H3C(O)CH3
  362148.2020  0.0022 -5.8234 3  206.0904252 -59516140431 724 4    30 823 4      C-13-H3C(O)CH3
  362148.2020  0.0021 -3.7798 3  206.0904252 -59516140431 724 3    30 723 3      C-13-H3C(O)CH3
  362148.2020  0.0022 -3.7731 3  206.0904252 -59516140431 824 4    30 823 4      C-13-H3C(O)CH3
  362148.2276  0.0021 -5.3170 3  206.0904252  59516140431 724 3    30 823 3      C-13-H3C(O)CH3
  362148.2276  0.0021 -5.3891 3  206.0904252  59516140431 824 3    30 723 3      C-13-H3C(O)CH3
  362179.4246  0.3114 -6.6824 3 1757.4622C24  595161404766313 2    766214 2      C-13-H3C(O)CH3
  362180.5357  0.2782 -5.9504 3  876.2359904  595161404563620 0    563323 0      C-13-H3C(O)CH3
  362188.9996  0.2302 -6.7379 3 1571.4168572  595161404716210 4    716111 4      C-13-H3C(O)CH3
  362202.7631  0.0025 -5.2810 3  206.0903504 -59516140431 724 1    30 823 1      C-13-H3C(O)CH3
  362202.7631  0.0025 -4.9262 3  206.0903504 -59516140431 824 1    30 723 1      C-13-H3C(O)CH3
  362202.8343  0.0025 -3.4749 3  206.0903504  59516140431 824 1    30 823 1      C-13-H3C(O)CH3
  362202.8343  0.0025 -3.4835 3  206.0903504  59516140431 724 1    30 723 1      C-13-H3C(O)CH3
  362203.9118  0.0025 -4.9616 3  206.0893504  59516140431 724 2    30 723 2      C-13-H3C(O)CH3
  362203.9118  0.0025 -4.7936 3  206.0893504  59516140431 824 2    30 823 2      C-13-H3C(O)CH3
  362203.9281  0.0025 -3.4892 3  206.0893504 -59516140431 724 2    30 823 2      C-13-H3C(O)CH3
  362203.9281  0.0025 -3.4824 3  206.0893504 -59516140431 824 2    30 723 2      C-13-H3C(O)CH3
  362209.7210  0.0093 -5.8152 3   49.6133232  5951614041411 4 2    13 8 6 2      C-13-H3C(O)CH3
  362219.0989  0.0199 -4.8925 3  228.8853236  595161404291811 4    281910 4      C-13-H3C(O)CH3
  362219.4998  0.0196 -4.9695 3  363.4798728  59516140445 342 0    45 343 0      C-13-H3C(O)CH3
  362219.4998  0.0196 -4.7959 3  363.4798728  59516140445 442 0    45 243 0      C-13-H3C(O)CH3
  362219.4998  0.0196 -4.8082 3  363.4798728  59516140445 442 0    45 343 0      C-13-H3C(O)CH3
  362219.4998  0.0196 -4.9880 3  363.4798728  59516140445 342 0    45 243 0      C-13-H3C(O)CH3
  362220.6717  0.0054 -3.8798 3  150.8478392 -595161404241411 2    231310 2      C-13-H3C(O)CH3
  362223.6281  0.0340 -6.3991 3  370.5948292  595161404362610 3    362313 3      C-13-H3C(O)CH3
  362251.7358  0.3095 -6.6823 3 1757.4568C24  595161404766313 1    766214 1      C-13-H3C(O)CH3
  362258.3998  0.0021 -4.3867 3  206.0893504  59516140431 724 0    30 723 0      C-13-H3C(O)CH3
  362258.3998  0.0021 -4.3867 3  206.0893504  59516140431 824 0    30 823 0      C-13-H3C(O)CH3
  362258.4126  0.0021 -3.5239 3  206.0893504 -59516140431 724 0    30 823 0      C-13-H3C(O)CH3
  362258.4126  0.0021 -3.5239 3  206.0893504 -59516140431 824 0    30 723 0      C-13-H3C(O)CH3
  362262.6755  0.1306 -5.8751 3  807.2395872  595161404543321 2    543024 2      C-13-H3C(O)CH3
  362305.4765  0.4229 -6.6823 3 1757.4857C24  595161404766313 0    766215 0      C-13-H3C(O)CH3
  362305.4765  0.4229 -6.6823 3 1757.4857C24  595161404766314 0    766214 0      C-13-H3C(O)CH3
  362324.7691  0.0650 -5.9846 3 1339.1061588  595161404733044 3    732845 3      C-13-H3C(O)CH3
  362324.7691  0.0650 -5.9846 3 1339.1061588  595161404732944 3    732945 3      C-13-H3C(O)CH3
  362324.7825  0.0650 -6.0537 3 1339.1062588  595161404733044 4    732945 4      C-13-H3C(O)CH3
  362324.7825  0.0650 -6.7674 3 1339.1062588  595161404733044 4    732845 4      C-13-H3C(O)CH3
  362324.7825  0.0650 -6.7674 3 1339.1062588  595161404732944 4    732945 4      C-13-H3C(O)CH3
  362324.7825  0.0650 -6.0537 3 1339.1062588  595161404732944 4    732845 4      C-13-H3C(O)CH3
  362334.0173  0.0627 -6.1757 3 1339.0849B76  595161404733044 1    732945 1      C-13-H3C(O)CH3
  362334.0173  0.0627 -6.1757 3 1339.0849B76  595161404732944 1    732845 1      C-13-H3C(O)CH3
  362334.0173  0.0627 -5.8410 3 1339.0849B76  595161404733044 1    732845 1      C-13-H3C(O)CH3
  362334.0173  0.0627 -5.8410 3 1339.0849B76  595161404732944 1    732945 1      C-13-H3C(O)CH3
  362338.3404  0.0658 -5.8432 3 1339.0870B76  595161404732944 2    732945 2      C-13-H3C(O)CH3
  362338.3404  0.0658 -6.1710 3 1339.0870B76  595161404732944 2    732845 2      C-13-H3C(O)CH3
  362338.3404  0.0658 -6.1710 3 1339.0870B76  595161404733044 2    732945 2      C-13-H3C(O)CH3
  362338.3404  0.0658 -5.8432 3 1339.0870B76  595161404733044 2    732845 2      C-13-H3C(O)CH3
  362344.4267  0.0024 -5.8087 3  107.1379164  5951614042014 7 3    1913 7 3      C-13-H3C(O)CH3
  362347.6174  0.0639 -5.6789 3 1339.0658B76  595161404732944 0    732945 0      C-13-H3C(O)CH3
  362347.6174  0.0639 -5.6789 3 1339.0658B76  595161404733044 0    732845 0      C-13-H3C(O)CH3
  362347.8615  0.1504 -6.6280 3 1695.4360652  595161404813745 4    813646 4      C-13-H3C(O)CH3
  362347.8615  0.1504 -6.6286 3 1695.4360652  595161404813645 4    813546 4      C-13-H3C(O)CH3
  362347.8800  0.0991 -5.8756 3  807.2409872  595161404543321 1    543024 1      C-13-H3C(O)CH3
  362347.9321  0.1505 -6.6281 3 1695.4360652  595161404813745 3    813646 3      C-13-H3C(O)CH3
  362347.9321  0.1505 -6.6282 3 1695.4360652  595161404813645 3    813546 3      C-13-H3C(O)CH3
  362348.0938  0.0227 -5.6509 3  904.1192A00  595161404621943 0    621844 0      C-13-H3C(O)CH3
  362348.0938  0.0227 -5.0381 3  904.1192A00  595161404622043 0    621844 0      C-13-H3C(O)CH3
  362348.0938  0.0227 -5.6509 3  904.1192A00  595161404622043 0    621944 0      C-13-H3C(O)CH3
  362348.0938  0.0227 -5.0381 3  904.1192A00  595161404621943 0    621944 0      C-13-H3C(O)CH3
  362353.1365  0.3394 -6.6821 3 1757.4387C24  595161404766314 2    766215 2      C-13-H3C(O)CH3
  362357.3101  0.0076 -6.6608 3   49.6575116  5951614041411 4 3    13 8 6 3      C-13-H3C(O)CH3
  362366.0356  0.0035 -4.2728 3  107.1208328 -5951614042014 7 1    1913 7 1      C-13-H3C(O)CH3
  362379.4182  0.0049 -3.8798 3  150.8455392 -595161404241411 0    231310 0      C-13-H3C(O)CH3
  362384.7847  0.1648 -6.3283 3 1695.4288D04  595161404813745 2    813646 2      C-13-H3C(O)CH3
  362384.7847  0.1648 -6.3282 3 1695.4288D04  595161404813645 2    813546 2      C-13-H3C(O)CH3
  362386.3861  0.1795 -6.3270 3 1695.4256D04  595161404813645 1    813546 1      C-13-H3C(O)CH3
  362386.3861  0.1795 -6.3270 3 1695.4256D04  595161404813745 1    813646 1      C-13-H3C(O)CH3
  362421.7750  0.0359 -6.4095 3  370.5946292  595161404362610 4    362313 4      C-13-H3C(O)CH3
  362423.1877  0.1823 -6.3297 3 1695.4184D04  595161404813745 0    813646 0      C-13-H3C(O)CH3
  362423.1877  0.1823 -6.3296 3 1695.4184D04  595161404813645 0    813546 0      C-13-H3C(O)CH3
  362427.8927  0.0267 -4.9439 3  904.1161A00  595161404622043 1    621844 1      C-13-H3C(O)CH3
  362427.8927  0.0267 -4.9439 3  904.1161A00  595161404621943 1    621944 1      C-13-H3C(O)CH3
  362428.6467  0.3238 -6.6820 3 1757.4409C24  595161404766314 1    766215 1      C-13-H3C(O)CH3
  362430.3855  0.0285 -5.5338 3  904.1161A00  595161404621943 2    621944 2      C-13-H3C(O)CH3
  362430.3855  0.0285 -5.5338 3  904.1161A00  595161404622043 2    621844 2      C-13-H3C(O)CH3
  362430.3855  0.0285 -5.0719 3  904.1161A00  595161404622043 2    621944 2      C-13-H3C(O)CH3
  362430.3855  0.0285 -5.0719 3  904.1161A00  595161404621943 2    621844 2      C-13-H3C(O)CH3
  362435.6395  0.0455 -5.6293 3  309.6549696  59516140443 242 2    43 043 2      C-13-H3C(O)CH3
  362435.6395  0.0455 -5.0362 3  309.6549696  59516140443 242 2    43 143 2      C-13-H3C(O)CH3
  362435.6395  0.0455 -5.6293 3  309.6549696  59516140443 142 2    43 143 2      C-13-H3C(O)CH3
  362435.6395  0.0455 -5.0362 3  309.6549696  59516140443 142 2    43 043 2      C-13-H3C(O)CH3
  362436.4863  0.0476 -4.9385 3  309.6552696  59516140443 242 1    43 143 1      C-13-H3C(O)CH3
  362436.4863  0.0476 -4.9385 3  309.6552696  59516140443 142 1    43 043 1      C-13-H3C(O)CH3
  362460.4306  0.0032 -4.4043 3  107.1237328 -5951614042014 7 2    1913 7 2      C-13-H3C(O)CH3
  362488.9856  0.0175 -6.6470 3  232.3008228  5951614042823 6 3    2820 8 3      C-13-H3C(O)CH3
  362491.7266  0.2293 -6.8316 3  757.9725840  595161404523419 2    523121 2      C-13-H3C(O)CH3
  362510.2947  0.0239 -5.4542 3  904.1130500  595161404621943 3    621944 3      C-13-H3C(O)CH3
  362510.2947  0.0239 -5.6596 3  904.1130500  595161404621943 3    621844 3      C-13-H3C(O)CH3
  362510.2947  0.0239 -5.6596 3  904.1130500  595161404622043 3    621944 3      C-13-H3C(O)CH3
  362510.2947  0.0239 -5.4542 3  904.1130500  595161404622043 3    621844 3      C-13-H3C(O)CH3
  362510.4638  0.0240 -5.3006 3  904.1129500  595161404621943 4    621944 4      C-13-H3C(O)CH3
  362510.4638  0.0240 -6.1558 3  904.1129500  595161404622043 4    621944 4      C-13-H3C(O)CH3
  362510.4638  0.0240 -5.3006 3  904.1129500  595161404622043 4    621844 4      C-13-H3C(O)CH3
  362510.4638  0.0240 -6.1558 3  904.1129500  595161404621943 4    621844 4      C-13-H3C(O)CH3
  362566.8866  0.2900 -6.3348 3 1336.5288A32  5951614046461 4 1    6460 5 1      C-13-H3C(O)CH3
  362583.6259  0.0298 -6.1076 3  370.6136584  595161404362610 2    362313 2      C-13-H3C(O)CH3
  362622.8427  0.0975 -5.8784 3  807.2453872  595161404543321 0    543024 0      C-13-H3C(O)CH3
  362626.0062  0.3691 -6.3347 3 1336.5302A32  5951614046461 4 0    6460 4 0      C-13-H3C(O)CH3
  362626.0062  0.3691 -6.3347 3 1336.5302A32  5951614046461 3 0    6460 5 0      C-13-H3C(O)CH3
  362649.7618  0.0296 -4.8992 3  336.2394712  59516140444 242 0    44 243 0      C-13-H3C(O)CH3
  362649.7618  0.0296 -5.1207 3  336.2394712  59516140444 342 0    44 243 0      C-13-H3C(O)CH3
  362649.7618  0.0296 -4.8992 3  336.2394712  59516140444 342 0    44 143 0      C-13-H3C(O)CH3
  362649.7618  0.0296 -5.1207 3  336.2394712  59516140444 242 0    44 143 0      C-13-H3C(O)CH3
  362671.3233  0.0105 -4.3200 3  195.9573440 -595161404271611 2    261710 2      C-13-H3C(O)CH3
  362690.8120  0.0100 -4.3201 3  195.9692440 -595161404271611 0    261710 0      C-13-H3C(O)CH3
  362700.7469  0.0216 -6.6174 3  232.3194228  5951614042823 5 4    2820 8 4      C-13-H3C(O)CH3
  362729.3483  0.0074 -5.8409 3   49.6575116  5951614041411 3 3    13 8 6 3      C-13-H3C(O)CH3
  362757.0089  0.2977 -6.3346 3 1336.5618A32  5951614046461 3 1    6460 4 1      C-13-H3C(O)CH3
  362765.2005  0.2764 -6.6357 3 1336.5338516  5951614046461 4 4    6460 5 4      C-13-H3C(O)CH3
  362776.2047  0.0149 -6.7960 3  190.1465424  5951614042619 7 1    261412 1      C-13-H3C(O)CH3
  362805.6008  0.0184 -6.6103 3  232.2655228  5951614042823 6 4    2820 9 4      C-13-H3C(O)CH3
  362811.5948  0.2612 -6.6356 3 1336.5457516  5951614046461 4 3    6460 5 3      C-13-H3C(O)CH3
  362824.8060  0.2869 -6.3345 3 1336.5352A32  5951614046461 4 2    6460 5 2      C-13-H3C(O)CH3
  362840.2630  0.0117 -4.4507 3  212.1048456 -595161404281711 2    271810 2      C-13-H3C(O)CH3
  362854.5905  0.0108 -4.4496 3  212.1198456 -595161404281711 0    271810 0      C-13-H3C(O)CH3
  362870.6074  0.3192 -6.3344 3 1336.5470A32  5951614046461 3 2    6460 4 2      C-13-H3C(O)CH3
  362923.6607  0.0111 -5.9702 3  283.3621520  595161404322111 2    3122 9 2      C-13-H3C(O)CH3
  362935.9458  0.0115 -6.5376 3  190.1480424  5951614042619 7 0    261412 0      C-13-H3C(O)CH3
  362956.2795  0.2617 -6.6355 3 1336.5668516  5951614046461 3 3    6460 4 3      C-13-H3C(O)CH3
  362989.1159  0.0182 -5.4773 3  283.3401260  595161404322111 4    3122 9 4      C-13-H3C(O)CH3
  363002.9407  0.2978 -6.6354 3 1336.5785516  5951614046461 3 4    6460 4 4      C-13-H3C(O)CH3
  363011.0565  0.1639 -5.8791 3  758.0021840  595161404523418 0    523121 0      C-13-H3C(O)CH3
  363013.6090  0.0176 -6.6476 3  232.2841228  5951614042823 5 3    2820 9 3      C-13-H3C(O)CH3
  363015.8189  0.0207 -4.9996 3  866.9265984  595161404611843 0    611844 0      C-13-H3C(O)CH3
  363015.8189  0.0207 -5.5250 3  866.9265984  595161404611843 0    611744 0      C-13-H3C(O)CH3
  363015.8189  0.0207 -5.5250 3  866.9265984  595161404611943 0    611844 0      C-13-H3C(O)CH3
  363015.8189  0.0207 -4.9996 3  866.9265984  595161404611943 0    611744 0      C-13-H3C(O)CH3
  363022.0853  0.0160 -6.3184 3  232.3292456  5951614042823 5 1    2820 8 1      C-13-H3C(O)CH3
  363068.6706  0.0127 -4.6169 3  195.9466220  595161404271611 3    261710 3      C-13-H3C(O)CH3
  363073.0118  0.0120 -5.1984 3  283.3588520  595161404322111 1    3122 9 1      C-13-H3C(O)CH3
  363077.7861  0.0435 -4.9876 3  309.5882696  59516140443 142 0    43 043 0      C-13-H3C(O)CH3
  363077.7861  0.0435 -5.8827 3  309.5882696  59516140443 142 0    43 143 0      C-13-H3C(O)CH3
  363077.7861  0.0435 -5.8827 3  309.5882696  59516140443 242 0    43 043 0      C-13-H3C(O)CH3
  363077.7861  0.0435 -4.9876 3  309.5882696  59516140443 242 0    43 143 0      C-13-H3C(O)CH3
  363083.5296  0.0190 -5.9204 3  540.9990728  595161404452422 0    442519 0      C-13-H3C(O)CH3
  363092.5477  0.0152 -6.7833 3  190.1382424  5951614042619 7 2    261412 2      C-13-H3C(O)CH3
  363101.1258  0.0244 -6.2565 3  866.9191984  595161404611943 1    611844 1      C-13-H3C(O)CH3
  363101.1258  0.0244 -4.9048 3  866.9191984  595161404611943 1    611744 1      C-13-H3C(O)CH3
  363101.1258  0.0244 -4.9048 3  866.9191984  595161404611843 1    611844 1      C-13-H3C(O)CH3
  363101.1258  0.0244 -6.2565 3  866.9191984  595161404611843 1    611744 1      C-13-H3C(O)CH3
  363103.1094  0.0257 -4.8950 3  866.9190984  595161404611943 2    611744 2      C-13-H3C(O)CH3
  363103.1094  0.0257 -6.5702 3  866.9190984  595161404611943 2    611844 2      C-13-H3C(O)CH3
  363103.1094  0.0257 -4.8950 3  866.9190984  595161404611843 2    611844 2      C-13-H3C(O)CH3
  363103.1094  0.0257 -6.5702 3  866.9190984  595161404611843 2    611744 2      C-13-H3C(O)CH3
  363117.7110  0.0184 -5.4231 3  427.4443616  5951614043830 9 0    3731 6 0      C-13-H3C(O)CH3
  363117.7307  0.0184 -5.4231 3  427.4443616  5951614043830 8 0    3731 7 0      C-13-H3C(O)CH3
  363124.0928  0.0172 -5.5362 3  283.3362260  595161404322111 3    3122 9 3      C-13-H3C(O)CH3
  363124.5936  0.0073 -6.7060 3   32.8767200  59516140412 9 4 1    11 4 7 1      C-13-H3C(O)CH3
  363127.0445  0.0111 -4.3180 3  195.9571440 -595161404271611 1    261710 1      C-13-H3C(O)CH3
  363144.6723  0.0294 -6.8255 3  279.6599252  5951614043124 8 4    312110 4      C-13-H3C(O)CH3
  363161.6303  0.0154 -4.6207 3  195.9437220  595161404271611 4    261710 4      C-13-H3C(O)CH3
  363164.7830  0.0117 -4.7744 3  283.3540520  595161404322111 2    312210 2      C-13-H3C(O)CH3
  363164.9291  0.0090 -4.7482 3  283.3751520  595161404322111 0    312210 0      C-13-H3C(O)CH3
  363185.5556  0.0193 -5.9198 3  540.9779728  595161404452422 1    442519 1      C-13-H3C(O)CH3
  363188.5303  0.0222 -5.2128 3  866.9116492  595161404611943 3    611744 3      C-13-H3C(O)CH3
  363188.5303  0.0222 -6.4205 3  866.9116492  595161404611843 3    611744 3      C-13-H3C(O)CH3
  363188.5303  0.0222 -5.2128 3  866.9116492  595161404611843 3    611844 3      C-13-H3C(O)CH3
  363188.5303  0.0222 -6.4205 3  866.9116492  595161404611943 3    611844 3      C-13-H3C(O)CH3
  363188.6965  0.0223 -5.7577 3  866.9116492  595161404611943 4    611744 4      C-13-H3C(O)CH3
  363188.6965  0.0223 -5.7577 3  866.9116492  595161404611843 4    611844 4      C-13-H3C(O)CH3
  363188.6965  0.0223 -5.3225 3  866.9116492  595161404611843 4    611744 4      C-13-H3C(O)CH3
  363188.6965  0.0223 -5.3225 3  866.9116492  595161404611943 4    611844 4      C-13-H3C(O)CH3
  363192.7328  0.0022 -3.8205 3  211.2670260 -59516140432 626 4    31 725 4      C-13-H3C(O)CH3
  363192.7328  0.0022 -5.3567 3  211.2670260 -59516140432 726 3    31 725 3      C-13-H3C(O)CH3
  363192.7328  0.0022 -5.3567 3  211.2670260 -59516140432 626 3    31 625 3      C-13-H3C(O)CH3
  363192.7328  0.0022 -3.8546 3  211.2670260 -59516140432 726 4    31 625 4      C-13-H3C(O)CH3
  363192.7482  0.0022 -4.4914 3  211.2670260  59516140432 626 4    31 625 4      C-13-H3C(O)CH3
  363192.7482  0.0022 -4.3598 3  211.2670260  59516140432 726 4    31 725 4      C-13-H3C(O)CH3
  363192.7775  0.0022 -3.7471 3  211.2670260  59516140432 726 3    31 625 3      C-13-H3C(O)CH3
  363192.7775  0.0022 -3.7471 3  211.2670260  59516140432 626 3    31 725 3      C-13-H3C(O)CH3
  363206.5398  0.3758 -6.4093 3 1538.1579B28  5951614047062 9 0    706110 0      C-13-H3C(O)CH3
  363206.5398  0.3758 -6.4093 3 1538.1579B28  5951614047062 8 0    7061 9 0      C-13-H3C(O)CH3
  363206.7956  0.2820 -6.4093 3 1538.1449B28  5951614047062 8 2    7061 9 2      C-13-H3C(O)CH3
  363212.4577  0.0187 -5.4237 3  427.4245616  5951614043830 8 1    3731 6 1      C-13-H3C(O)CH3
  363244.2124  0.0026 -3.4469 3  211.2630520 -59516140432 626 1    31 625 1      C-13-H3C(O)CH3
  363244.2124  0.0026 -3.4469 3  211.2630520 -59516140432 726 1    31 725 1      C-13-H3C(O)CH3
  363244.2570  0.0026 -5.0177 3  211.2630520  59516140432 626 1    31 725 1      C-13-H3C(O)CH3
  363244.2570  0.0026 -5.0177 3  211.2630520  59516140432 726 1    31 625 1      C-13-H3C(O)CH3
  363244.9761  0.0025 -4.8921 3  211.2622520 -59516140432 726 2    31 625 2      C-13-H3C(O)CH3
  363244.9761  0.0025 -4.8921 3  211.2622520 -59516140432 626 2    31 725 2      C-13-H3C(O)CH3
  363244.9783  0.0025 -3.4509 3  211.2622520  59516140432 626 2    31 625 2      C-13-H3C(O)CH3
  363244.9783  0.0025 -3.4509 3  211.2622520  59516140432 726 2    31 725 2      C-13-H3C(O)CH3
  363264.7185  0.0070 -6.7187 3  103.3498344  59516140421 813 2    21 516 2      C-13-H3C(O)CH3
  363267.0083  0.0070 -6.7187 3  103.3498344  59516140421 913 2    21 616 2      C-13-H3C(O)CH3
  363267.1627  0.2790 -6.4092 3 1538.1526B28  5951614047062 8 1    7061 9 1      C-13-H3C(O)CH3
  363267.3233  0.2480 -6.7103 3 1538.1396564  5951614047062 8 4    7061 9 4      C-13-H3C(O)CH3
  363285.0392  0.2710 -6.4092 3 1538.1327B28  5951614047062 9 1    706110 1      C-13-H3C(O)CH3
  363285.6872  0.2132 -6.7102 3 1538.1198564  5951614047062 9 3    7061 9 3      C-13-H3C(O)CH3
  363294.0868  0.0070 -6.7188 3  103.3507344  59516140421 813 1    21 516 1      C-13-H3C(O)CH3
  363296.2868  0.0070 -6.7188 3  103.3507344  59516140421 913 1    21 616 1      C-13-H3C(O)CH3
  363296.3224  0.0022 -4.6056 3  211.2583520 -59516140432 726 0    31 625 0      C-13-H3C(O)CH3
  363296.3224  0.0022 -3.4658 3  211.2583520 -59516140432 626 0    31 625 0      C-13-H3C(O)CH3
  363296.3452  0.0022 -3.4658 3  211.2583520  59516140432 726 0    31 725 0      C-13-H3C(O)CH3
  363296.3452  0.0022 -4.6056 3  211.2583520  59516140432 626 0    31 725 0      C-13-H3C(O)CH3
  363296.7520  0.0083 -6.6968 3   32.8757200  59516140412 9 4 2    11 4 7 2      C-13-H3C(O)CH3
  363298.4644  0.0144 -4.7483 3  212.0891228  595161404281711 3    271810 3      C-13-H3C(O)CH3
  363311.7028  0.0161 -6.3299 3  232.3091456  5951614042823 6 2    2820 9 2      C-13-H3C(O)CH3
  363314.3190  0.0157 -6.3152 3  232.2946456  5951614042823 6 1    2820 9 1      C-13-H3C(O)CH3
  363347.3108  0.2763 -6.4091 3 1538.1249B28  5951614047062 9 2    706110 2      C-13-H3C(O)CH3
  363367.5866  0.0123 -4.4524 3  212.1021456 -595161404281711 1    271810 1      C-13-H3C(O)CH3
  363379.9003  0.0584 -6.4794 3 1295.5822580  595161404722944 3    722745 3      C-13-H3C(O)CH3
  363379.9003  0.0584 -6.0305 3 1295.5822580  595161404722944 3    722845 3      C-13-H3C(O)CH3
  363379.9003  0.0584 -6.0305 3 1295.5822580  595161404722844 3    722745 3      C-13-H3C(O)CH3
  363379.9003  0.0584 -6.4794 3 1295.5822580  595161404722844 3    722845 3      C-13-H3C(O)CH3
  363379.9309  0.0584 -6.0116 3 1295.5823580  595161404722944 4    722745 4      C-13-H3C(O)CH3
  363379.9309  0.0584 -6.5372 3 1295.5823580  595161404722844 4    722745 4      C-13-H3C(O)CH3
  363379.9309  0.0584 -6.5372 3 1295.5823580  595161404722944 4    722845 4      C-13-H3C(O)CH3
  363379.9309  0.0584 -6.0116 3 1295.5823580  595161404722844 4    722845 4      C-13-H3C(O)CH3
  363381.2911  0.0549 -6.1155 3 1295.5612B60  595161404722844 1    722745 1      C-13-H3C(O)CH3
  363381.2911  0.0549 -5.7541 3 1295.5612B60  595161404722844 1    722845 1      C-13-H3C(O)CH3
  363381.2911  0.0549 -5.7541 3 1295.5612B60  595161404722944 1    722745 1      C-13-H3C(O)CH3
  363381.2911  0.0549 -6.1155 3 1295.5612B60  595161404722944 1    722845 1      C-13-H3C(O)CH3
  363381.8966  0.0074 -4.2079 3  139.2226188  595161404231410 4    2213 9 4      C-13-H3C(O)CH3
  363385.9483  0.0594 -5.9946 3 1295.5630B60  595161404722844 2    722845 2      C-13-H3C(O)CH3
  363385.9483  0.0594 -5.8194 3 1295.5630B60  595161404722944 2    722845 2      C-13-H3C(O)CH3
  363385.9483  0.0594 -5.8194 3 1295.5630B60  595161404722844 2    722745 2      C-13-H3C(O)CH3
  363385.9483  0.0594 -5.9946 3 1295.5630B60  595161404722944 2    722745 2      C-13-H3C(O)CH3
  363387.3779  0.0553 -5.6048 3 1295.5419B60  595161404722844 0    722745 0      C-13-H3C(O)CH3
  363387.3779  0.0553 -5.6048 3 1295.5419B60  595161404722944 0    722845 0      C-13-H3C(O)CH3
  363387.4553  0.0327 -5.9172 3  540.9681728  595161404452422 2    442519 2      C-13-H3C(O)CH3
  363389.2691  0.0178 -5.4219 3  427.4147616  5951614043830 9 2    3731 7 2      C-13-H3C(O)CH3
  363404.2229  0.2097 -5.9303 3  816.0460872  595161404543519 1    543222 1      C-13-H3C(O)CH3
  363404.6961  0.0189 -5.4227 3  427.3961616  5951614043830 9 1    3731 7 1      C-13-H3C(O)CH3
  363407.8228  0.2370 -6.7101 3 1538.1196564  5951614047062 8 3    706110 3      C-13-H3C(O)CH3
  363417.3455  0.0259 -6.8114 3  279.6597252  5951614043124 8 3    312110 3      C-13-H3C(O)CH3
  363422.9559  0.0180 -4.7601 3  212.0847228  595161404281711 4    271810 4      C-13-H3C(O)CH3
  363423.8760  0.0058 -4.2074 3  139.2218188  595161404231410 3    2213 9 3      C-13-H3C(O)CH3
  363425.3561  0.2316 -6.7100 3 1538.0997564  5951614047062 9 4    706110 4      C-13-H3C(O)CH3
  363433.3788  0.3098 -6.3935 3 1306.6384A16  5951614046361 3 1    6360 4 1      C-13-H3C(O)CH3
  363441.9579  0.0156 -6.3338 3  232.3304456  5951614042823 5 2    2820 8 2      C-13-H3C(O)CH3
  363456.7867  0.0184 -5.4227 3  427.4293616  5951614043830 8 2    3731 6 2      C-13-H3C(O)CH3
  363467.2443  0.0189 -6.5131 3  279.6798504  5951614043124 8 1    312110 1      C-13-H3C(O)CH3
  363481.4098  0.0201 -5.7235 3  427.3949308  5951614043830 8 3    3731 6 3      C-13-H3C(O)CH3
  363485.6415  0.0341 -6.2177 3  540.9470364  595161404452422 4    442519 4      C-13-H3C(O)CH3
  363492.2853  0.0341 -6.2177 3  540.9468364  595161404452422 3    442519 3      C-13-H3C(O)CH3
  363513.5900  0.2641 -5.9615 3  876.2163904  595161404563620 1    563323 1      C-13-H3C(O)CH3
  363533.5634  0.3915 -6.3932 3 1306.6363A16  5951614046361 3 0    6360 3 0      C-13-H3C(O)CH3
  363533.5634  0.3915 -6.3932 3 1306.6363A16  5951614046361 2 0    6360 4 0      C-13-H3C(O)CH3
  363547.7769  0.0216 -6.5476 3  279.6597252  5951614043124 7 3    312110 3      C-13-H3C(O)CH3
  363550.2153  0.0217 -5.7243 3  427.4095308  5951614043830 8 4    3731 6 4      C-13-H3C(O)CH3
  363606.5497  0.0192 -5.2184 3  283.3201260  595161404322111 3    312210 3      C-13-H3C(O)CH3
  363623.0702  0.0060 -3.9062 3  139.2149376 -595161404231410 1    2213 9 1      C-13-H3C(O)CH3
  363627.0264  0.2926 -6.6944 3 1306.6529508  5951614046361 3 4    6360 4 4      C-13-H3C(O)CH3
  363655.2372  0.0187 -5.6770 3  830.3128968  595161404601743 0    601744 0      C-13-H3C(O)CH3
  363655.2372  0.0187 -4.8985 3  830.3128968  595161404601843 0    601744 0      C-13-H3C(O)CH3
  363655.2372  0.0187 -5.6770 3  830.3128968  595161404601843 0    601644 0      C-13-H3C(O)CH3
  363655.2372  0.0187 -4.8985 3  830.3128968  595161404601743 0    601644 0      C-13-H3C(O)CH3
  363662.8548  0.0169 -6.3115 3  232.3434456  5951614042823 5 0    2820 8 0      C-13-H3C(O)CH3
  363663.5604  0.0066 -6.7152 3  103.3205344  59516140421 813 0    21 516 0      C-13-H3C(O)CH3
  363665.8541  0.0066 -6.7152 3  103.3205344  59516140421 913 0    21 616 0      C-13-H3C(O)CH3
  363665.9547  0.0134 -4.9371 3  283.3390520  595161404322111 1    312210 1      C-13-H3C(O)CH3
  363667.0403  0.3200 -6.3932 3 1306.6757A16  5951614046361 2 1    6360 3 1      C-13-H3C(O)CH3
  363672.2304  0.4098 -5.9648 3  876.2140904  595161404563620 2    563323 2      C-13-H3C(O)CH3
  363673.6333  0.0207 -5.7225 3  427.3664308  5951614043830 9 4    3731 7 4      C-13-H3C(O)CH3
  363703.2878  0.0221 -5.2499 3  283.3162260  595161404322111 4    312210 4      C-13-H3C(O)CH3
  363703.9014  0.3061 -6.6354 3 1721.6710C08  595161404756312 2    756213 2      C-13-H3C(O)CH3
  363716.0123  0.0122 -5.0106 3  348.6193568  595161404352511 0    3426 8 0      C-13-H3C(O)CH3
  363718.8387  0.3489 -5.9388 3  816.0409872  595161404543519 2    543222 2      C-13-H3C(O)CH3
  363727.6133  0.3045 -6.3931 3 1306.6509A16  5951614046361 3 2    6360 4 2      C-13-H3C(O)CH3
  363732.3943  0.0132 -5.7773 3  312.2753552  595161404341915 2    341618 2      C-13-H3C(O)CH3
  363737.2289  0.2813 -6.6942 3 1306.6642508  5951614046361 3 3    6360 4 3      C-13-H3C(O)CH3
  363740.9768  0.0199 -5.7233 3  427.3811308  5951614043830 9 3    3731 7 3      C-13-H3C(O)CH3
  363743.8019  0.0221 -5.9021 3  830.3011968  595161404601843 1    601744 1      C-13-H3C(O)CH3
  363743.8019  0.0221 -5.9021 3  830.3011968  595161404601743 1    601644 1      C-13-H3C(O)CH3
  363743.8019  0.0221 -4.8699 3  830.3011968  595161404601743 1    601744 1      C-13-H3C(O)CH3
  363743.8019  0.0221 -4.8699 3  830.3011968  595161404601843 1    601644 1      C-13-H3C(O)CH3
  363745.2879  0.0229 -4.9205 3  830.3009968  595161404601843 2    601644 2      C-13-H3C(O)CH3
  363745.2879  0.0229 -4.9205 3  830.3009968  595161404601743 2    601744 2      C-13-H3C(O)CH3
  363745.2879  0.0229 -5.5625 3  830.3009968  595161404601843 2    601744 2      C-13-H3C(O)CH3
  363745.2879  0.0229 -5.5625 3  830.3009968  595161404601743 2    601644 2      C-13-H3C(O)CH3
  363750.2727  0.0127 -5.0129 3  348.5958568  595161404352511 2    3426 9 2      C-13-H3C(O)CH3
  363750.9758  0.1344 -6.5366 3 1647.3849644  595161404803545 4    803546 4      C-13-H3C(O)CH3
  363750.9758  0.1344 -6.5366 3 1647.3849644  595161404803645 4    803446 4      C-13-H3C(O)CH3
  363751.0402  0.1344 -6.5827 3 1647.3849644  595161404803545 3    803446 3      C-13-H3C(O)CH3
  363751.0402  0.1344 -6.5830 3 1647.3849644  595161404803645 3    803546 3      C-13-H3C(O)CH3
  363786.2639  0.0123 -5.0104 3  348.6192568  595161404352510 0    3426 9 0      C-13-H3C(O)CH3
  363786.4759  0.3102 -6.6353 3 1721.6679C08  595161404756312 1    756213 1      C-13-H3C(O)CH3
  363788.2058  0.1466 -6.3133 3 1647.3754C88  595161404803645 2    803446 2      C-13-H3C(O)CH3
  363788.2058  0.1466 -6.3175 3 1647.3754C88  595161404803545 2    803546 2      C-13-H3C(O)CH3
  363788.8133  0.1587 -6.2359 3 1647.3722C88  595161404803545 1    803446 1      C-13-H3C(O)CH3
  363788.8133  0.1587 -6.2360 3 1647.3722C88  595161404803645 1    803546 1      C-13-H3C(O)CH3
  363799.8217  0.0061 -5.4801 3   49.5713232  5951614041411 3 0    13 8 6 0      C-13-H3C(O)CH3
  363807.2201  0.0235 -6.5414 3  279.6599252  5951614043124 7 4    312110 4      C-13-H3C(O)CH3
  363812.1416  0.4276 -6.6353 3 1721.6943C08  595161404756312 0    756214 0      C-13-H3C(O)CH3
  363812.1416  0.4276 -6.6353 3 1721.6943C08  595161404756313 0    756213 0      C-13-H3C(O)CH3
  363825.9381  0.1615 -6.2360 3 1647.3627C88  595161404803645 0    803546 0      C-13-H3C(O)CH3
  363825.9381  0.1615 -6.2400 3 1647.3627C88  595161404803545 0    803446 0      C-13-H3C(O)CH3
  363832.1023  0.0107 -5.7769 3  312.3019552  595161404341915 0    341618 0      C-13-H3C(O)CH3
  363833.9682  0.0207 -5.1321 3  830.2892484  595161404601843 3    601744 3      C-13-H3C(O)CH3
  363833.9682  0.0207 -5.1321 3  830.2892484  595161404601743 3    601644 3      C-13-H3C(O)CH3
  363834.1237  0.0208 -5.1321 3  830.2892484  595161404601743 4    601644 4      C-13-H3C(O)CH3
  363834.1237  0.0208 -5.1321 3  830.2892484  595161404601843 4    601744 4      C-13-H3C(O)CH3
  363837.6395  0.3450 -6.3929 3 1306.6620A16  5951614046361 2 2    6360 3 2      C-13-H3C(O)CH3
  363849.9349  0.3389 -6.0023 3  938.4967936  595161404583721 0    583424 0      C-13-H3C(O)CH3
  363861.6721  0.2765 -6.6941 3 1306.6903508  5951614046361 2 3    6360 3 3      C-13-H3C(O)CH3
  363863.5619  0.0160 -6.0787 3  312.2525276  595161404341915 3    341618 3      C-13-H3C(O)CH3
  363864.8453  0.0168 -6.2445 3  279.6798504  5951614043124 7 1    312110 1      C-13-H3C(O)CH3
  363869.4293  0.0056 -3.9055 3  139.2031376 -595161404231410 2    2213 9 2      C-13-H3C(O)CH3
  363870.4766  0.0149 -6.0787 3  312.2525276  595161404341915 4    341618 4      C-13-H3C(O)CH3
  363880.1581  0.3305 -6.6351 3 1721.6483C08  595161404756313 2    756214 2      C-13-H3C(O)CH3
  363912.5598  0.0210 -6.3685 3  279.6818504  5951614043124 8 2    312110 2      C-13-H3C(O)CH3
  363923.8867  0.0213 -5.6229 3  348.5838568  595161404352511 1    3426 8 1      C-13-H3C(O)CH3
  363926.6579  0.0168 -6.3109 3  232.3346456  5951614042823 6 0    2820 9 0      C-13-H3C(O)CH3
  363936.7171  0.3160 -6.6351 3 1721.6528C08  595161404756313 1    756214 1      C-13-H3C(O)CH3
  363963.5092  0.0131 -5.7774 3  312.2791552  595161404341915 1    341618 1      C-13-H3C(O)CH3
  363969.9478  0.0132 -5.1314 3  348.5823568  595161404352511 1    3426 9 1      C-13-H3C(O)CH3
  363972.8098  0.3201 -6.6939 3 1306.7014508  5951614046361 2 4    6360 3 4      C-13-H3C(O)CH3
  363975.5562  0.0034 -4.1258 3  162.7336204  595161404251412 4    241311 4      C-13-H3C(O)CH3
  363984.5408  0.0139 -5.3147 3  348.5602284  595161404352511 3    3426 9 3      C-13-H3C(O)CH3
  363990.0977  0.0151 -5.3127 3  348.5586284  595161404352511 4    3426 9 4      C-13-H3C(O)CH3
  363990.3941  0.0043 -4.1259 3  162.7331204  595161404251412 3    241311 3      C-13-H3C(O)CH3
  364006.5523  0.0138 -5.1320 3  348.5838568  595161404352510 1    3426 8 1      C-13-H3C(O)CH3
  364021.4655  0.0126 -5.0127 3  348.6011568  595161404352510 2    3426 8 2      C-13-H3C(O)CH3
  364052.6135  0.0201 -5.6220 3  348.5823568  595161404352510 1    3426 9 1      C-13-H3C(O)CH3
  364065.9432  0.0086 -4.8021 3  302.8727536  595161404332212 0    3223 9 0      C-13-H3C(O)CH3
  364069.1571  0.0086 -4.8030 3  302.8522536  595161404332212 2    3223 9 2      C-13-H3C(O)CH3
  364075.3274  0.0083 -4.1371 3  117.2846172  5951614042114 8 4    2013 7 4      C-13-H3C(O)CH3
  364084.7707  0.0058 -3.9052 3  139.1960376 -595161404231410 0    2213 9 0      C-13-H3C(O)CH3
  364099.0741  0.0037 -3.8250 3  162.7355408 -595161404251412 1    241311 1      C-13-H3C(O)CH3
  364126.6736  0.0215 -5.3890 3  302.8258268  595161404332212 3    3223 9 3      C-13-H3C(O)CH3
  364135.1725  0.0127 -5.0493 3  302.8465536  595161404332212 1    3223 9 1      C-13-H3C(O)CH3
  364149.5602  0.0065 -6.6211 3   32.8204200  59516140412 9 4 0    11 4 7 0      C-13-H3C(O)CH3
  364150.4680  0.0185 -5.3160 3  302.8258268  595161404332212 4    3223 9 4      C-13-H3C(O)CH3
  364150.6861  0.0077 -5.7569 3   49.6145232  5951614041411 3 1    13 8 6 1      C-13-H3C(O)CH3
  364179.6442  0.0198 -6.3525 3  279.6818504  5951614043124 7 2    312110 2      C-13-H3C(O)CH3
  364188.0122  0.0077 -5.7489 3   49.6133232  5951614041411 3 2    13 8 6 2      C-13-H3C(O)CH3
  364212.9036  0.0037 -3.8253 3  162.7271408 -595161404251412 2    241311 2      C-13-H3C(O)CH3
  364219.0294  0.0026 -6.6023 3  115.8185172  5951614042113 8 4    2012 8 4      C-13-H3C(O)CH3
  364232.4616  0.0157 -6.0585 3  279.7016504  5951614043124 7 0    312110 0      C-13-H3C(O)CH3
  364251.6005  0.3322 -6.5043 3 1277.2386A00  5951614046261 2 1    6260 3 1      C-13-H3C(O)CH3
  364252.7051  0.0139 -5.3132 3  348.5656284  595161404352510 4    3426 8 4      C-13-H3C(O)CH3
  364258.5247  0.0133 -5.3140 3  348.5640284  595161404352510 3    3426 8 3      C-13-H3C(O)CH3
  364258.7977  0.0022 -5.7393 3  215.8956268 -59516140433 528 3    32 527 3      C-13-H3C(O)CH3
  364258.7977  0.0022 -6.1537 3  215.8956268 -59516140433 528 4    32 627 4      C-13-H3C(O)CH3
  364258.7977  0.0022 -3.7077 3  215.8956268 -59516140433 628 4    32 627 4      C-13-H3C(O)CH3
  364258.7977  0.0022 -5.7393 3  215.8956268 -59516140433 628 3    32 627 3      C-13-H3C(O)CH3
  364258.8653  0.0022 -6.1537 3  215.8956268  59516140433 628 4    32 527 4      C-13-H3C(O)CH3
  364258.8653  0.0022 -3.7077 3  215.8956268  59516140433 528 4    32 527 4      C-13-H3C(O)CH3
  364258.8807  0.0022 -3.7102 3  215.8956268  59516140433 528 3    32 627 3      C-13-H3C(O)CH3
  364258.8807  0.0022 -3.7102 3  215.8956268  59516140433 628 3    32 527 3      C-13-H3C(O)CH3
  364268.3249  0.0167 -5.4995 3  794.2791952  595161404591643 0    591544 0      C-13-H3C(O)CH3
  364268.3249  0.0167 -4.8715 3  794.2791952  595161404591643 0    591644 0      C-13-H3C(O)CH3
  364268.3249  0.0167 -5.4995 3  794.2791952  595161404591743 0    591644 0      C-13-H3C(O)CH3
  364268.3249  0.0167 -4.8715 3  794.2791952  595161404591743 0    591544 0      C-13-H3C(O)CH3
  364285.8767  0.1033 -6.7176 3  702.0315808  595161404503318 1    503020 1      C-13-H3C(O)CH3
  364306.8174  0.0026 -3.8870 3  215.8864536 -59516140433 628 1    32 527 1      C-13-H3C(O)CH3
  364306.8174  0.0026 -3.5787 3  215.8864536 -59516140433 528 1    32 527 1      C-13-H3C(O)CH3
  364306.8667  0.0026 -3.8870 3  215.8864536  59516140433 528 1    32 627 1      C-13-H3C(O)CH3
  364306.8667  0.0026 -3.5787 3  215.8864536  59516140433 628 1    32 627 1      C-13-H3C(O)CH3
  364307.3413  0.0026 -5.4229 3  215.8858536  59516140433 628 2    32 527 2      C-13-H3C(O)CH3
  364307.3413  0.0026 -3.4092 3  215.8858536  59516140433 528 2    32 527 2      C-13-H3C(O)CH3
  364307.3496  0.0026 -5.4229 3  215.8858536 -59516140433 528 2    32 627 2      C-13-H3C(O)CH3
  364307.3496  0.0026 -3.4092 3  215.8858536 -59516140433 628 2    32 627 2      C-13-H3C(O)CH3
  364326.8202  0.0033 -3.8255 3  162.7294408 -595161404251412 0    241311 0      C-13-H3C(O)CH3
  364345.1510  0.0177 -5.9089 3  388.4156600  595161404372612 1    372315 1      C-13-H3C(O)CH3
  364351.5360  0.0260 -6.2971 3  388.3916300  595161404372612 4    372315 4      C-13-H3C(O)CH3
  364355.1913  0.0022 -4.6223 3  215.8766536 -59516140433 528 0    32 627 0      C-13-H3C(O)CH3
  364355.1913  0.0022 -4.6223 3  215.8766536 -59516140433 628 0    32 527 0      C-13-H3C(O)CH3
  364355.2206  0.0022 -3.4321 3  215.8766536  59516140433 528 0    32 527 0      C-13-H3C(O)CH3
  364355.2206  0.0022 -3.4321 3  215.8766536  59516140433 628 0    32 627 0      C-13-H3C(O)CH3
  364356.8888  0.1604 -5.9167 3  757.9801840  595161404523418 1    523121 1      C-13-H3C(O)CH3
  364357.3683  0.0198 -6.1500 3  794.2632952  595161404591743 1    591644 1      C-13-H3C(O)CH3
  364357.3683  0.0198 -4.7983 3  794.2632952  595161404591743 1    591544 1      C-13-H3C(O)CH3
  364357.3683  0.0198 -6.1500 3  794.2632952  595161404591643 1    591544 1      C-13-H3C(O)CH3
  364357.3683  0.0198 -4.7983 3  794.2632952  595161404591643 1    591644 1      C-13-H3C(O)CH3
  364358.3858  0.0202 -6.2972 3  794.2629952  595161404591743 2    591644 2      C-13-H3C(O)CH3
  364358.3858  0.0202 -4.7928 3  794.2629952  595161404591743 2    591544 2      C-13-H3C(O)CH3
  364358.3858  0.0202 -5.1757 3  794.2629952  595161404591643 2    591544 2      C-13-H3C(O)CH3
  364358.3858  0.0202 -5.0023 3  794.2629952  595161404591643 2    591644 2      C-13-H3C(O)CH3
  364362.6073  0.0033 -6.7808 3  115.8021344  5951614042113 8 1    2012 8 1      C-13-H3C(O)CH3
  364374.4901  0.3780 -6.3878 3 1505.3306B12  5951614046962 7 0    6961 9 0      C-13-H3C(O)CH3
  364374.4901  0.3780 -6.3878 3 1505.3306B12  5951614046962 8 0    6961 8 0      C-13-H3C(O)CH3
  364379.4969  0.0485 -5.7877 3 1252.5856B44  595161404712844 0    712645 0      C-13-H3C(O)CH3
  364379.4969  0.0485 -5.8579 3 1252.5856B44  595161404712844 0    712745 0      C-13-H3C(O)CH3
  364379.4969  0.0485 -5.8579 3 1252.5856B44  595161404712744 0    712645 0      C-13-H3C(O)CH3
  364379.4969  0.0485 -5.7877 3 1252.5856B44  595161404712744 0    712745 0      C-13-H3C(O)CH3
  364381.8614  0.0490 -5.6271 3 1252.6044B44  595161404712844 1    712745 1      C-13-H3C(O)CH3
  364381.8614  0.0490 -6.1822 3 1252.6044B44  595161404712744 1    712745 1      C-13-H3C(O)CH3
  364381.8614  0.0490 -6.1822 3 1252.6044B44  595161404712844 1    712645 1      C-13-H3C(O)CH3
  364381.8614  0.0490 -5.6271 3 1252.6044B44  595161404712744 1    712645 1      C-13-H3C(O)CH3
  364386.7225  0.0543 -5.5416 3 1252.6060B44  595161404712844 2    712745 2      C-13-H3C(O)CH3
  364386.7225  0.0543 -5.5416 3 1252.6060B44  595161404712744 2    712645 2      C-13-H3C(O)CH3
  364389.1353  0.0526 -5.8215 3 1252.6249572  595161404712844 3    712645 3      C-13-H3C(O)CH3
  364389.1353  0.0526 -5.8215 3 1252.6249572  595161404712744 3    712745 3      C-13-H3C(O)CH3
  364389.1842  0.0526 -5.8417 3 1252.6249572  595161404712744 4    712745 4      C-13-H3C(O)CH3
  364389.1842  0.0526 -5.8417 3 1252.6249572  595161404712844 4    712645 4      C-13-H3C(O)CH3
  364396.5883  0.4188 -6.5040 3 1277.2336A00  5951614046261 2 0    6260 3 0      C-13-H3C(O)CH3
  364396.5883  0.4188 -6.5040 3 1277.2336A00  5951614046261 1 0    6260 2 0      C-13-H3C(O)CH3
  364418.5001  0.2904 -6.3878 3 1505.3211B12  5951614046962 7 2    6961 8 2      C-13-H3C(O)CH3
  364431.7731  0.2763 -6.3877 3 1505.3097B12  5951614046962 8 1    6961 9 1      C-13-H3C(O)CH3
  364432.4189  0.3092 -6.8053 3 1277.2632500  5951614046261 2 4    6260 3 4      C-13-H3C(O)CH3
  364447.5439  0.0194 -6.7611 3  794.2470476  595161404591643 3    591544 3      C-13-H3C(O)CH3
  364447.5439  0.0194 -5.0893 3  794.2470476  595161404591743 3    591544 3      C-13-H3C(O)CH3
  364447.5439  0.0194 -6.7611 3  794.2470476  595161404591743 3    591644 3      C-13-H3C(O)CH3
  364447.5439  0.0194 -5.0893 3  794.2470476  595161404591643 3    591644 3      C-13-H3C(O)CH3
  364447.6796  0.0195 -6.3328 3  794.2470476  595161404591743 4    591644 4      C-13-H3C(O)CH3
  364447.6796  0.0195 -5.1051 3  794.2470476  595161404591743 4    591544 4      C-13-H3C(O)CH3
  364447.6796  0.0195 -6.3328 3  794.2470476  595161404591643 4    591544 4      C-13-H3C(O)CH3
  364447.6796  0.0195 -5.1051 3  794.2470476  595161404591643 4    591644 4      C-13-H3C(O)CH3
  364454.3040  0.2842 -6.3878 3 1505.3311B12  5951614046962 7 1    6961 8 1      C-13-H3C(O)CH3
  364464.6920  0.0067 -4.0992 3  117.2806172  5951614042114 8 3    2013 7 3      C-13-H3C(O)CH3
  364476.2084  0.2233 -6.6887 3 1505.3002556  5951614046962 8 3    6961 9 3      C-13-H3C(O)CH3
  364497.3967  0.0036 -4.0189 3  107.1379164  5951614042014 6 3    1913 7 3      C-13-H3C(O)CH3
  364498.4101  0.2620 -6.6888 3 1505.3215556  5951614046962 7 4    6961 8 4      C-13-H3C(O)CH3
  364526.3770  0.0163 -5.4179 3  302.8125268  595161404332212 3    322310 3      C-13-H3C(O)CH3
  364527.6601  0.3463 -6.5040 3 1277.2810A00  5951614046261 1 1    6260 2 1      C-13-H3C(O)CH3
  364532.5971  0.0156 -5.7572 3  388.4361600  595161404372612 0    372315 0      C-13-H3C(O)CH3
  364533.4407  0.2784 -6.3876 3 1505.3031B12  5951614046962 8 2    6961 9 2      C-13-H3C(O)CH3
  364533.7214  0.0120 -5.1636 3  302.8332536  595161404332212 1    322310 1      C-13-H3C(O)CH3
  364544.0382  0.0186 -6.0176 3  590.3506760  595161404472423 1    462720 1      C-13-H3C(O)CH3
  364552.4873  0.0210 -5.5124 3  302.8124268  595161404332212 4    322310 4      C-13-H3C(O)CH3
  364559.0449  0.0189 -6.3168 3  590.3332380  595161404472423 3    462720 3      C-13-H3C(O)CH3
  364564.8242  0.0192 -6.3168 3  590.3329380  595161404472423 4    462720 4      C-13-H3C(O)CH3
  364566.8015  0.0160 -6.0176 3  590.3643760  595161404472423 0    462720 0      C-13-H3C(O)CH3
  364577.6201  0.3242 -6.5039 3 1277.2583A00  5951614046261 2 2    6260 3 2      C-13-H3C(O)CH3
  364585.2456  0.0226 -5.9806 3  388.4124600  595161404372612 2    372315 2      C-13-H3C(O)CH3
  364585.6457  0.0186 -6.0158 3  590.3467760  595161404472423 2    462720 2      C-13-H3C(O)CH3
  364590.2111  0.2393 -6.6886 3 1505.2822556  5951614046962 8 4    6961 9 4      C-13-H3C(O)CH3
  364590.5487  0.0059 -3.8091 3  117.2691344 -5951614042114 8 1    2013 7 1      C-13-H3C(O)CH3
  364613.2126  0.2427 -6.6886 3 1505.3036556  5951614046962 7 3    6961 8 3      C-13-H3C(O)CH3
  364614.8886  0.3042 -6.8050 3 1277.2747500  5951614046261 2 3    6260 3 3      C-13-H3C(O)CH3
  364623.7320  0.0281 -6.2433 3  388.3919300  595161404372612 3    372315 3      C-13-H3C(O)CH3
  364641.0408  0.1741 -6.5823 3  702.0218808  595161404503318 2    503020 2      C-13-H3C(O)CH3
  364643.5553  0.1181 -5.8555 3  702.0535808  595161404503317 0    503020 0      C-13-H3C(O)CH3
  364645.8653  0.0237 -5.9197 3  109.6204164  5951614042015 6 4    1914 5 4      C-13-H3C(O)CH3
  364659.1152  0.0207 -6.2861 3  388.4156600  595161404372611 1    372315 1      C-13-H3C(O)CH3
  364683.5116  0.0096 -6.1075 3   49.6559116  5951614041411 3 4    13 8 6 4      C-13-H3C(O)CH3
  364709.4113  0.2926 -6.8050 3 1277.3057500  5951614046261 1 3    6260 2 3      C-13-H3C(O)CH3
  364757.2895  0.0128 -6.7372 3  203.1241220  5951614042719 8 3    271413 3      C-13-H3C(O)CH3
  364760.5435  0.3751 -6.5036 3 1277.2696A00  5951614046261 1 2    6260 2 2      C-13-H3C(O)CH3
  364793.4784  0.0025 -3.7076 3  107.1162328 -5951614042014 6 0    1913 7 0      C-13-H3C(O)CH3
  364794.7852  0.2983 -6.2182 3  816.0195436  595161404543519 3    543222 3      C-13-H3C(O)CH3
  364813.3289  0.0057 -3.8023 3  117.2628344 -5951614042114 8 2    2013 7 2      C-13-H3C(O)CH3
  364824.1244  0.3460 -6.2577 3  876.1942452  595161404563620 3    563323 3      C-13-H3C(O)CH3
  364832.8702  0.2855 -5.9342 3  757.9725840  595161404523418 2    523121 2      C-13-H3C(O)CH3
  364857.0445  0.0146 -5.7008 3  758.8261936  595161404581643 0    581444 0      C-13-H3C(O)CH3
  364857.0445  0.0146 -5.7008 3  758.8261936  595161404581543 0    581544 0      C-13-H3C(O)CH3
  364857.0445  0.0146 -4.7798 3  758.8261936  595161404581643 0    581544 0      C-13-H3C(O)CH3
  364857.0445  0.0146 -4.7798 3  758.8261936  595161404581543 0    581444 0      C-13-H3C(O)CH3
  364893.6675  0.3454 -6.8047 3 1277.3170500  5951614046261 1 4    6260 2 4      C-13-H3C(O)CH3
  364943.2247  0.0177 -4.9011 3  758.8062936  595161404581543 1    581444 1      C-13-H3C(O)CH3
  364943.2247  0.0177 -5.2183 3  758.8062936  595161404581543 1    581544 1      C-13-H3C(O)CH3
  364943.2247  0.0177 -4.9011 3  758.8062936  595161404581643 1    581544 1      C-13-H3C(O)CH3
  364943.2247  0.0177 -5.2183 3  758.8062936  595161404581643 1    581444 1      C-13-H3C(O)CH3
  364943.8180  0.0178 -4.7556 3  758.8059936  595161404581643 2    581444 2      C-13-H3C(O)CH3
  364943.8180  0.0178 -5.9778 3  758.8059936  595161404581643 2    581544 2      C-13-H3C(O)CH3
  364943.8180  0.0178 -5.9778 3  758.8059936  595161404581543 2    581444 2      C-13-H3C(O)CH3
  364943.8180  0.0178 -4.7556 3  758.8059936  595161404581543 2    581544 2      C-13-H3C(O)CH3
  364986.7212  0.0069 -3.8071 3  107.1237328  5951614042014 6 2    1913 7 2      C-13-H3C(O)CH3
  365013.4683  0.0040 -4.8873 3   58.3384132  59516140416 7 9 3    15 610 3      C-13-H3C(O)CH3
  365015.6230  0.0057 -4.8872 3   58.3384132  59516140416 7 9 4    15 610 4      C-13-H3C(O)CH3
  365019.6414  0.0246 -6.4302 3  331.6470276  595161404342510 3    342213 3      C-13-H3C(O)CH3
  365024.8018  0.3572 -6.7411 3 1248.3282984  5951614046161 1 1    6160 2 1      C-13-H3C(O)CH3
  365030.1090  0.0182 -5.1669 3  758.7860468  595161404581643 3    581444 3      C-13-H3C(O)CH3
  365030.1090  0.0182 -5.6020 3  758.7860468  595161404581643 3    581544 3      C-13-H3C(O)CH3
  365030.1090  0.0182 -5.4564 3  758.7860468  595161404581543 3    581444 3      C-13-H3C(O)CH3
  365030.1090  0.0182 -5.2355 3  758.7860468  595161404581543 3    581544 3      C-13-H3C(O)CH3
  365030.2146  0.0182 -5.6336 3  758.7860468  595161404581543 4    581544 4      C-13-H3C(O)CH3
  365030.2146  0.0182 -5.1558 3  758.7860468  595161404581643 4    581544 4      C-13-H3C(O)CH3
  365030.2146  0.0182 -5.6336 3  758.7860468  595161404581643 4    581444 4      C-13-H3C(O)CH3
  365030.2146  0.0182 -5.1558 3  758.7860468  595161404581543 4    581444 4      C-13-H3C(O)CH3
  365047.1941  0.0178 -6.0629 3  331.6688552  595161404342510 1    342213 1      C-13-H3C(O)CH3
  365051.1707  0.0224 -6.5334 3  279.5963252  5951614043124 8 4    312111 4      C-13-H3C(O)CH3
  365057.9828  0.0309 -6.5205 3  388.3919300  595161404372611 3    372315 3      C-13-H3C(O)CH3
  365066.1112  0.0248 -6.4332 3  331.6471276  595161404342510 4    342213 4      C-13-H3C(O)CH3
  365092.5097  0.1199 -6.4683 3 1599.8905636  595161404793445 4    793446 4      C-13-H3C(O)CH3
  365092.5097  0.1199 -6.4708 3 1599.8905636  595161404793545 4    793346 4      C-13-H3C(O)CH3
  365092.5664  0.1199 -6.4559 3 1599.8905636  595161404793545 3    793346 3      C-13-H3C(O)CH3
  365092.5664  0.1199 -6.4638 3 1599.8905636  595161404793445 3    793446 3      C-13-H3C(O)CH3
  365099.2316  0.0053 -4.7132 3   70.5226140  59516140417 9 8 3    16 8 9 3      C-13-H3C(O)CH3
  365099.9822  0.0173 -6.3336 3  331.6688552  5951614043425 9 1    342213 1      C-13-H3C(O)CH3
  365105.6214  0.3193 -6.0089 3  938.4793936  595161404583721 1    583424 1      C-13-H3C(O)CH3
  365122.7604  0.0076 -4.7132 3   70.5226140  59516140417 9 8 4    16 8 9 4      C-13-H3C(O)CH3
  365124.8316  0.4626 -6.0097 3  938.4799936  595161404583721 2    583424 2      C-13-H3C(O)CH3
  365128.6866  0.1392 -6.5354 3 1599.8756C72  595161404793445 1    793346 1      C-13-H3C(O)CH3
  365128.6866  0.1392 -6.5372 3 1599.8756C72  595161404793545 1    793446 1      C-13-H3C(O)CH3
  365128.6866  0.1392 -6.3729 3 1599.8756C72  595161404793445 1    793446 1      C-13-H3C(O)CH3
  365128.6866  0.1392 -6.3717 3 1599.8756C72  595161404793545 1    793346 1      C-13-H3C(O)CH3
  365129.0655  0.1298 -6.1662 3 1599.8787C72  595161404793445 2    793346 2      C-13-H3C(O)CH3
  365129.0655  0.1298 -6.1662 3 1599.8787C72  595161404793545 2    793446 2      C-13-H3C(O)CH3
  365134.0767  0.0041 -3.7932 3  117.2494344 -5951614042114 8 0    2013 7 0      C-13-H3C(O)CH3
  365137.3697  0.2615 -6.7690 3 1931.8070D84  595161404864046 2    863947 2      C-13-H3C(O)CH3
  365137.3697  0.2615 -6.7690 3 1931.8070D84  595161404864146 2    864047 2      C-13-H3C(O)CH3
  365143.5567  0.2869 -6.7672 3 1931.8047D84  595161404864046 1    863947 1      C-13-H3C(O)CH3
  365143.5568  0.2869 -6.7672 3 1931.8047D84  595161404864146 1    864047 1      C-13-H3C(O)CH3
  365144.0669  0.0074 -3.8494 3  107.1208328  5951614042014 6 1    1913 7 1      C-13-H3C(O)CH3
  365148.8095  0.0122 -6.5251 3  203.1369440  5951614042719 8 1    271413 1      C-13-H3C(O)CH3
  365154.6283  0.3046 -6.5922 3 1686.3849B92  595161404746311 2    746212 2      C-13-H3C(O)CH3
  365165.1559  0.1420 -6.3739 3 1599.8639C72  595161404793445 0    793446 0      C-13-H3C(O)CH3
  365165.1559  0.1420 -6.5337 3 1599.8639C72  595161404793445 0    793346 0      C-13-H3C(O)CH3
  365165.1559  0.1420 -6.5261 3 1599.8639C72  595161404793545 0    793446 0      C-13-H3C(O)CH3
  365165.1559  0.1420 -6.3792 3 1599.8639C72  595161404793545 0    793346 0      C-13-H3C(O)CH3
  365167.4522  0.0057 -4.4114 3   70.4869280 -59516140417 9 8 2    16 8 9 2      C-13-H3C(O)CH3
  365170.3189  0.2902 -6.7674 3 1931.8081D84  595161404864146 0    864047 0      C-13-H3C(O)CH3
  365170.3189  0.2902 -6.7674 3 1931.8081D84  595161404864046 0    863947 0      C-13-H3C(O)CH3
  365177.8452  0.0232 -6.0115 3  477.8578340  595161404422319 3    412616 3      C-13-H3C(O)CH3
  365180.2354  0.4207 -6.2917 3  876.1946452  595161404563620 4    563323 4      C-13-H3C(O)CH3
  365192.6218  0.1580 -6.7008 3  702.0003404  595161404503318 4    503020 4      C-13-H3C(O)CH3
  365217.8995  0.4505 -6.7407 3 1248.3209984  5951614046161 0 0    6160 2 0      C-13-H3C(O)CH3
  365217.8995  0.4505 -6.7407 3 1248.3209984  5951614046161 1 0    6160 1 0      C-13-H3C(O)CH3
  365239.6491  0.4289 -6.5921 3 1686.4076B92  595161404746311 0    746212 0      C-13-H3C(O)CH3
  365239.6491  0.4289 -6.5921 3 1686.4076B92  595161404746312 0    746213 0      C-13-H3C(O)CH3
  365240.2376  0.0217 -6.0126 3  477.8557340  595161404422319 4    412616 4      C-13-H3C(O)CH3
  365240.6837  0.3113 -6.5921 3 1686.3845B92  595161404746311 1    746212 1      C-13-H3C(O)CH3
  365247.7264  0.0288 -6.5317 3  331.6471276  5951614043425 9 4    342213 4      C-13-H3C(O)CH3
  365250.9055  0.0046 -4.5852 3   58.2945264  59516140416 7 9 2    15 610 2      C-13-H3C(O)CH3
  365263.8730  0.0080 -6.2559 3  221.3733236  595161404291514 3    291217 3      C-13-H3C(O)CH3
  365266.2984  0.0090 -6.2559 3  221.3733236  595161404291514 4    291217 4      C-13-H3C(O)CH3
  365274.4496  0.0074 -5.9536 3  221.3853472  595161404291514 2    291217 2      C-13-H3C(O)CH3
  365276.2722  0.0055 -4.8869 3   58.3383132  59516140416 8 9 4    15 510 4      C-13-H3C(O)CH3
  365276.6047  0.0040 -4.8869 3   58.3382132  59516140416 8 9 3    15 510 3      C-13-H3C(O)CH3
  365278.1174  0.0055 -4.4115 3   70.4888280 -59516140417 9 8 1    16 8 9 1      C-13-H3C(O)CH3
  365281.7778  0.0044 -4.5853 3   58.2956264  59516140416 7 9 1    15 610 1      C-13-H3C(O)CH3
  365288.7144  0.0101 -6.3905 3  203.1434440  5951614042719 8 0    271413 0      C-13-H3C(O)CH3
  365299.7657  0.0290 -6.1565 3  388.4124600  595161404372611 2    372315 2      C-13-H3C(O)CH3
  365301.7809  0.0268 -6.5356 3  331.6470276  5951614043425 9 3    342213 3      C-13-H3C(O)CH3
  365303.1764  0.0208 -6.5456 3  279.5968252  5951614043124 8 3    312111 3      C-13-H3C(O)CH3
  365310.3310  0.3657 -6.2816 3  816.0200436  595161404543519 4    543222 4      C-13-H3C(O)CH3
  365324.9898  0.0121 -6.4758 3  203.1306440  5951614042719 8 2    271413 2      C-13-H3C(O)CH3
  365326.2385  0.0432 -5.4465 3 1210.1981B28  595161404702644 0    702645 0      C-13-H3C(O)CH3
  365326.2385  0.0432 -5.4457 3 1210.1981B28  595161404702744 0    702545 0      C-13-H3C(O)CH3
  365328.7558  0.3217 -6.5919 3 1686.3634B92  595161404746312 2    746213 2      C-13-H3C(O)CH3
  365335.1805  0.0055 -4.4107 3   70.4532280 -59516140417 9 8 0    16 8 9 0      C-13-H3C(O)CH3
  365337.8663  0.0447 -5.4606 3 1210.2161B28  595161404702744 1    702645 1      C-13-H3C(O)CH3
  365337.8663  0.0447 -5.4606 3 1210.2161B28  595161404702644 1    702545 1      C-13-H3C(O)CH3
  365339.5201  0.0022 -3.7517 3  219.9796276 -59516140434 430 4    33 529 4      C-13-H3C(O)CH3
  365339.5201  0.0022 -3.7062 3  219.9796276 -59516140434 430 3    33 529 3      C-13-H3C(O)CH3
  365339.5201  0.0022 -4.4813 3  219.9796276 -59516140434 530 4    33 529 4      C-13-H3C(O)CH3
  365339.5201  0.0022 -4.8708 3  219.9796276 -59516140434 530 3    33 529 3      C-13-H3C(O)CH3
  365339.5260  0.0022 -3.7517 3  219.9796276  59516140434 530 4    33 429 4      C-13-H3C(O)CH3
  365339.5260  0.0022 -4.4813 3  219.9796276  59516140434 430 4    33 429 4      C-13-H3C(O)CH3
  365339.5275  0.0022 -3.7062 3  219.9796276  59516140434 530 3    33 429 3      C-13-H3C(O)CH3
  365339.5275  0.0022 -4.8708 3  219.9796276  59516140434 430 3    33 429 3      C-13-H3C(O)CH3
  365341.5432  0.3760 -6.7408 3 1248.3764984  5951614046161 0 1    6160 1 1      C-13-H3C(O)CH3
  365342.8015  0.0505 -5.4615 3 1210.2174B28  595161404702644 2    702645 2      C-13-H3C(O)CH3
  365342.8015  0.0505 -5.4876 3 1210.2174B28  595161404702744 2    702545 2      C-13-H3C(O)CH3
  365342.8015  0.0505 -6.4783 3 1210.2174B28  595161404702744 2    702645 2      C-13-H3C(O)CH3
  365347.8599  0.0347 -6.4340 3  388.3916300  595161404372611 4    372315 4      C-13-H3C(O)CH3
  365354.4870  0.0476 -5.7747 3 1210.2354564  595161404702644 3    702545 3      C-13-H3C(O)CH3
  365354.4870  0.0476 -5.7747 3 1210.2354564  595161404702744 3    702645 3      C-13-H3C(O)CH3
  365354.5550  0.0476 -5.7760 3 1210.2355564  595161404702744 4    702545 4      C-13-H3C(O)CH3
  365354.5550  0.0476 -5.7760 3 1210.2355564  595161404702644 4    702645 4      C-13-H3C(O)CH3
  365360.5369  0.3099 -6.5918 3 1686.3696B92  595161404746312 1    746213 1      C-13-H3C(O)CH3
  365361.4298  0.0162 -6.2396 3  279.6166504  5951614043124 8 1    312111 1      C-13-H3C(O)CH3
  365361.4808  0.0207 -6.1329 3  331.6690552  595161404342510 2    342213 2      C-13-H3C(O)CH3
  365363.0693  0.0242 -5.7090 3  477.8729680  595161404422319 2    412616 2      C-13-H3C(O)CH3
  365376.8328  0.3456 -6.7407 3 1248.3560984  5951614046161 1 2    6160 2 2      C-13-H3C(O)CH3
  365379.2263  0.0075 -5.9536 3  221.3879472  595161404291514 1    291217 1      C-13-H3C(O)CH3
  365382.8461  0.0151 -5.8775 3  331.6905552  595161404342510 0    342213 0      C-13-H3C(O)CH3
  365383.1488  0.0026 -3.4299 3  219.9637552 -59516140434 430 1    33 529 1      C-13-H3C(O)CH3
  365383.1488  0.0026 -3.4299 3  219.9637552 -59516140434 530 1    33 429 1      C-13-H3C(O)CH3
  365383.1919  0.0026 -4.3115 3  219.9637552  59516140434 530 1    33 529 1      C-13-H3C(O)CH3
  365383.1919  0.0026 -4.3115 3  219.9637552  59516140434 430 1    33 429 1      C-13-H3C(O)CH3
  365383.4924  0.0026 -3.3772 3  219.9631552  59516140434 430 2    33 529 2      C-13-H3C(O)CH3
  365383.4924  0.0026 -3.3853 3  219.9631552  59516140434 530 2    33 429 2      C-13-H3C(O)CH3
  365383.5406  0.0026 -5.0693 3  219.9631552 -59516140434 530 2    33 529 2      C-13-H3C(O)CH3
  365383.5406  0.0026 -6.0969 3  219.9631552 -59516140434 430 2    33 429 2      C-13-H3C(O)CH3
  365389.3934  0.0068 -5.9521 3  221.3998472  595161404291514 0    291217 0      C-13-H3C(O)CH3
  365423.3448  0.0128 -4.6947 3  723.9548920  595161404571543 0    571444 0      C-13-H3C(O)CH3
  365423.3448  0.0128 -6.3249 3  723.9548920  595161404571443 0    571444 0      C-13-H3C(O)CH3
  365423.3448  0.0128 -6.3249 3  723.9548920  595161404571543 0    571344 0      C-13-H3C(O)CH3
  365423.3448  0.0128 -4.6947 3  723.9548920  595161404571443 0    571344 0      C-13-H3C(O)CH3
  365427.0415  0.0022 -3.6915 3  219.9473552 -59516140434 430 0    33 529 0      C-13-H3C(O)CH3
  365427.0415  0.0022 -3.6915 3  219.9473552 -59516140434 530 0    33 429 0      C-13-H3C(O)CH3
  365427.0567  0.0022 -3.6635 3  219.9473552  59516140434 430 0    33 429 0      C-13-H3C(O)CH3
  365427.0567  0.0022 -3.6635 3  219.9473552  59516140434 530 0    33 529 0      C-13-H3C(O)CH3
  365433.6078  0.0260 -6.8064 3  279.5968252  5951614043124 7 3    312111 3      C-13-H3C(O)CH3
  365473.2674  0.0075 -4.1803 3  127.9675180  5951614042214 9 4    2113 8 4      C-13-H3C(O)CH3
  365482.8558  0.3835 -6.3743 3 1473.0007A96  5951614046862 7 0    6861 7 0      C-13-H3C(O)CH3
  365482.8558  0.3835 -6.3743 3 1473.0007A96  5951614046862 6 0    6861 8 0      C-13-H3C(O)CH3
  365502.7267  0.0159 -4.6968 3  723.9313920  595161404571543 1    571444 1      C-13-H3C(O)CH3
  365502.7267  0.0159 -6.2336 3  723.9313920  595161404571443 1    571444 1      C-13-H3C(O)CH3
  365502.7267  0.0159 -4.6968 3  723.9313920  595161404571443 1    571344 1      C-13-H3C(O)CH3
  365502.7267  0.0159 -6.2336 3  723.9313920  595161404571543 1    571344 1      C-13-H3C(O)CH3
  365502.9531  0.0157 -5.7723 3  723.9310920  595161404571543 2    571344 2      C-13-H3C(O)CH3
  365502.9531  0.0157 -4.7214 3  723.9310920  595161404571543 2    571444 2      C-13-H3C(O)CH3
  365502.9531  0.0157 -4.7214 3  723.9310920  595161404571443 2    571344 2      C-13-H3C(O)CH3
  365502.9531  0.0157 -5.7723 3  723.9310920  595161404571443 2    571444 2      C-13-H3C(O)CH3
  365513.8143  0.2852 -6.3743 3 1472.9839A96  5951614046862 7 1    6861 8 1      C-13-H3C(O)CH3
  365517.7780  0.0045 -4.5842 3   58.2518264  59516140416 7 9 0    15 610 0      C-13-H3C(O)CH3
  365521.8858  0.0251 -6.2003 3  411.4552616  595161404382712 1    382414 1      C-13-H3C(O)CH3
  365523.1078  0.0045 -4.5848 3   58.2943264  59516140416 8 9 2    15 510 2      C-13-H3C(O)CH3
  365545.6236  0.0196 -6.2088 3  665.2618808  595161404502525 0    492822 0      C-13-H3C(O)CH3
  365547.5522  0.0043 -4.5849 3   58.2954264  59516140416 8 9 1    15 510 1      C-13-H3C(O)CH3
  365549.7567  0.0178 -5.7086 3  477.8734680  595161404422319 1    412616 1      C-13-H3C(O)CH3
  365564.5715  0.0520 -6.7789 3  585.3452348  5951614044339 4 4    4240 2 4      C-13-H3C(O)CH3
  365568.4893  0.0230 -6.2082 3  665.2522808  595161404502525 1    492822 1      C-13-H3C(O)CH3
  365569.7509  0.0072 -4.1763 3  127.9666180  5951614042214 9 3    2113 8 3      C-13-H3C(O)CH3
  365574.6982  0.3017 -6.3742 3 1472.9955A96  5951614046862 6 2    6861 7 2      C-13-H3C(O)CH3
  365578.1720  0.2922 -6.3742 3 1473.0074A96  5951614046862 6 1    6861 7 1      C-13-H3C(O)CH3
  365582.4381  0.0170 -4.9972 3  723.9074460  595161404571443 3    571444 3      C-13-H3C(O)CH3
  365582.4381  0.0170 -6.5457 3  723.9074460  595161404571443 3    571344 3      C-13-H3C(O)CH3
  365582.4381  0.0170 -6.5457 3  723.9074460  595161404571543 3    571444 3      C-13-H3C(O)CH3
  365582.4381  0.0170 -4.9972 3  723.9074460  595161404571543 3    571344 3      C-13-H3C(O)CH3
  365582.5024  0.0170 -5.1349 3  723.9074460  595161404571543 4    571444 4      C-13-H3C(O)CH3
  365582.5024  0.0170 -5.5201 3  723.9074460  595161404571543 4    571344 4      C-13-H3C(O)CH3
  365582.5024  0.0170 -5.5201 3  723.9074460  595161404571443 4    571444 4      C-13-H3C(O)CH3
  365582.5024  0.0170 -5.1349 3  723.9074460  595161404571443 4    571344 4      C-13-H3C(O)CH3
  365593.5190  0.0239 -6.2325 3  331.6690552  5951614043425 9 2    342213 2      C-13-H3C(O)CH3
  365606.0622  0.2360 -6.6752 3 1472.9788548  5951614046862 7 3    6861 8 3      C-13-H3C(O)CH3
  365609.7689  0.0258 -6.2067 3  665.2494808  595161404502525 2    492822 2      C-13-H3C(O)CH3
  365630.9221  0.0277 -6.5072 3  665.2398404  595161404502525 3    492822 3      C-13-H3C(O)CH3
  365632.9698  0.0279 -6.5072 3  665.2397404  595161404502525 4    492822 4      C-13-H3C(O)CH3
  365638.1572  0.0365 -6.4883 3  411.4292308  595161404382712 4    382414 4      C-13-H3C(O)CH3
  365641.1398  0.4092 -6.7403 3 1248.3687984  5951614046161 0 2    6160 1 2      C-13-H3C(O)CH3
  365656.2063  0.2846 -6.3741 3 1472.9795A96  5951614046862 7 2    6861 8 2      C-13-H3C(O)CH3
  365670.3446  0.2763 -6.6752 3 1473.0022548  5951614046862 6 4    6861 7 4      C-13-H3C(O)CH3
  365672.4781  0.0395 -6.4761 3  585.3343696  5951614044339 4 1    4240 2 1      C-13-H3C(O)CH3
  365686.5912  0.2516 -6.6751 3 1472.9628548  5951614046862 7 4    6861 8 4      C-13-H3C(O)CH3
  365692.4269  0.0204 -6.3464 3  279.6224504  5951614043124 8 2    312111 2      C-13-H3C(O)CH3
  365706.0588  0.0192 -5.7065 3  477.8894680  595161404422319 0    412616 0      C-13-H3C(O)CH3
  365751.5494  0.2514 -6.6751 3 1472.9863548  5951614046862 6 3    6861 7 3      C-13-H3C(O)CH3
  365755.8109  0.2482 -6.1893 3  757.9504420  595161404523418 3    523121 3      C-13-H3C(O)CH3
  365759.0308  0.0184 -6.5110 3  279.6166504  5951614043124 7 1    312111 1      C-13-H3C(O)CH3
  365790.5090  0.0065 -3.8756 3  127.9559360 -5951614042214 9 1    2113 8 1      C-13-H3C(O)CH3
  365793.8134  0.0045 -4.5839 3   58.2516264  59516140416 8 9 0    15 510 0      C-13-H3C(O)CH3
  365860.1585  0.0224 -5.8296 3  411.4736616  595161404382711 0    382414 0      C-13-H3C(O)CH3
  365895.8949  0.0399 -6.4763 3  585.3071696  5951614044339 4 2    4240 2 2      C-13-H3C(O)CH3
  365899.4499  0.0149 -4.3395 3  107.1203164  5951614042014 6 4    1913 7 4      C-13-H3C(O)CH3
  365911.1008  0.0487 -6.7784 3  585.2802348  5951614044339 5 3    4240 3 3      C-13-H3C(O)CH3
  365928.0925  0.1189 -5.9219 3  702.0315808  595161404503317 1    503020 1      C-13-H3C(O)CH3
  365941.2457  0.0275 -6.0696 3  411.4552616  595161404382711 1    382414 1      C-13-H3C(O)CH3
  365956.2173  0.0319 -6.1896 3  411.4476616  595161404382712 2    382414 2      C-13-H3C(O)CH3
  365959.5113  0.0197 -6.3681 3  279.6224504  5951614043124 7 2    312111 2      C-13-H3C(O)CH3
  365969.1596  0.0111 -4.6784 3  689.6659904  595161404561443 0    561244 0      C-13-H3C(O)CH3
  365969.1596  0.0111 -4.6784 3  689.6659904  595161404561343 0    561344 0      C-13-H3C(O)CH3
  365969.2812  0.0111 -5.7373 3  689.6659904 -595161404561443 0    561344 0      C-13-H3C(O)CH3
  365969.2812  0.0111 -5.7373 3  689.6659904 -595161404561343 0    561244 0      C-13-H3C(O)CH3
  366002.9072  0.0349 -6.4746 3  585.2961696  5951614044339 4 0    4240 2 0      C-13-H3C(O)CH3
  366002.9072  0.0349 -6.4746 3  585.2961696  5951614044339 5 0    4240 3 0      C-13-H3C(O)CH3
  366011.4281  0.0153 -6.0552 3  279.6422504  5951614043124 8 0    312111 0      C-13-H3C(O)CH3
  366017.3068  0.0420 -6.4756 3  585.2693696  5951614044339 5 1    4240 3 1      C-13-H3C(O)CH3
  366036.0987  0.0062 -3.8736 3  127.9458360 -5951614042214 9 2    2113 8 2      C-13-H3C(O)CH3
  366037.1155  0.0142 -4.7416 3  689.6390904  595161404561343 2    561344 2      C-13-H3C(O)CH3
  366037.1155  0.0142 -5.3295 3  689.6390904  595161404561443 2    561344 2      C-13-H3C(O)CH3
  366037.1155  0.0142 -5.3295 3  689.6390904  595161404561343 2    561244 2      C-13-H3C(O)CH3
  366037.1155  0.0142 -4.7416 3  689.6390904  595161404561443 2    561244 2      C-13-H3C(O)CH3
  366037.1890  0.0145 -4.7654 3  689.6393904  595161404561443 1    561344 1      C-13-H3C(O)CH3
  366037.1890  0.0145 -5.2479 3  689.6393904  595161404561443 1    561244 1      C-13-H3C(O)CH3
  366037.1890  0.0145 -5.2479 3  689.6393904  595161404561343 1    561344 1      C-13-H3C(O)CH3
  366037.1890  0.0145 -4.7654 3  689.6393904  595161404561343 1    561244 1      C-13-H3C(O)CH3
  366061.1537  0.0399 -6.5199 3  411.4290308  595161404382712 3    382414 3      C-13-H3C(O)CH3
  366068.7497  0.0488 -6.7770 3  585.2944348  5951614044339 4 3    4240 2 3      C-13-H3C(O)CH3
  366105.2352  0.0159 -5.3529 3  689.6124452  595161404561443 3    561244 3      C-13-H3C(O)CH3
  366105.2352  0.0159 -5.8070 3  689.6124452  595161404561343 3    561244 3      C-13-H3C(O)CH3
  366105.2352  0.0159 -5.1563 3  689.6124452  595161404561443 3    561344 3      C-13-H3C(O)CH3
  366105.2352  0.0159 -5.0064 3  689.6124452  595161404561343 3    561344 3      C-13-H3C(O)CH3
  366105.2468  0.0159 -5.8650 3  689.6123452  595161404561443 4    561244 4      C-13-H3C(O)CH3
  366105.2468  0.0159 -4.9979 3  689.6123452  595161404561443 4    561344 4      C-13-H3C(O)CH3
  366105.2468  0.0159 -4.9979 3  689.6123452  595161404561343 4    561244 4      C-13-H3C(O)CH3
  366105.2468  0.0159 -5.8650 3  689.6123452  595161404561343 4    561344 4      C-13-H3C(O)CH3
  366199.2531  0.0155 -5.2320 3  398.2148600  595161404372810 0    3629 7 0      C-13-H3C(O)CH3
  366200.1438  0.0155 -5.2320 3  398.2148600  5951614043728 9 0    3629 8 0      C-13-H3C(O)CH3
  366205.5322  0.0270 -6.4033 3  744.4114856  595161404532627 0    522924 0      C-13-H3C(O)CH3
  366220.6485  0.0298 -6.1678 3  549.9257680  5951614044237 5 1    4138 3 1      C-13-H3C(O)CH3
  366229.7848  0.0391 -6.7148 3 1168.3808B12  595161404692644 0    692445 0      C-13-H3C(O)CH3
  366229.7848  0.0391 -6.7148 3 1168.3808B12  595161404692544 0    692545 0      C-13-H3C(O)CH3
  366229.7848  0.0391 -5.3924 3 1168.3808B12  595161404692644 0    692545 0      C-13-H3C(O)CH3
  366229.7848  0.0391 -5.3924 3 1168.3808B12  595161404692544 0    692445 0      C-13-H3C(O)CH3
  366249.7585  0.0304 -6.4023 3  744.4071856  595161404532627 1    522924 1      C-13-H3C(O)CH3
  366251.3245  0.0417 -5.3783 3 1168.3974B12  595161404692644 1    692545 1      C-13-H3C(O)CH3
  366251.3245  0.0417 -5.3783 3 1168.3974B12  595161404692544 1    692445 1      C-13-H3C(O)CH3
  366256.2086  0.0474 -6.4544 3 1168.3985B12  595161404692644 2    692545 2      C-13-H3C(O)CH3
  366256.2086  0.0474 -5.4097 3 1168.3985B12  595161404692644 2    692445 2      C-13-H3C(O)CH3
  366256.2086  0.0474 -6.4544 3 1168.3985B12  595161404692544 2    692445 2      C-13-H3C(O)CH3
  366256.2086  0.0474 -5.4097 3 1168.3985B12  595161404692544 2    692545 2      C-13-H3C(O)CH3
  366269.0968  0.0162 -6.0503 3  498.5717348  595161404432320 3    422617 3      C-13-H3C(O)CH3
  366272.9220  0.3849 -6.3088 3  938.4623468  595161404583721 3    583424 3      C-13-H3C(O)CH3
  366276.6148  0.0355 -6.4012 3  744.4057856  595161404532627 2    522924 2      C-13-H3C(O)CH3
  366277.4531  0.0362 -6.4700 3  549.9265340  5951614044237 5 4    4138 3 4      C-13-H3C(O)CH3
  366277.8150  0.0432 -6.0508 3 1168.4152556  595161404692544 3    692445 3      C-13-H3C(O)CH3
  366277.8150  0.0432 -5.9092 3 1168.4152556  595161404692544 3    692545 3      C-13-H3C(O)CH3
  366277.8150  0.0432 -5.9092 3 1168.4152556  595161404692644 3    692445 3      C-13-H3C(O)CH3
  366277.8150  0.0432 -6.0508 3 1168.4152556  595161404692644 3    692545 3      C-13-H3C(O)CH3
  366277.9023  0.0433 -6.4535 3 1168.4152556  595161404692544 4    692445 4      C-13-H3C(O)CH3
  366277.9023  0.0433 -5.7519 3 1168.4152556  595161404692544 4    692545 4      C-13-H3C(O)CH3
  366277.9023  0.0433 -6.4535 3 1168.4152556  595161404692644 4    692545 4      C-13-H3C(O)CH3
  366277.9023  0.0433 -5.7519 3 1168.4152556  595161404692644 4    692445 4      C-13-H3C(O)CH3
  366298.5912  0.0160 -6.0504 3  498.5707348  595161404432320 4    422617 4      C-13-H3C(O)CH3
  366300.0020  0.0055 -3.8719 3  127.9349360 -5951614042214 9 0    2113 8 0      C-13-H3C(O)CH3
  366320.2446  0.0380 -6.7013 3  744.4014428  595161404532627 3    522924 3      C-13-H3C(O)CH3
  366320.8976  0.0382 -6.7013 3  744.4014428  595161404532627 4    522924 4      C-13-H3C(O)CH3
  366343.6543  0.0735 -6.5124 3  648.2129776  595161404483217 1    482919 1      C-13-H3C(O)CH3
  366353.5116  0.0152 -5.2309 3  398.1888600  595161404372810 2    3629 8 2      C-13-H3C(O)CH3
  366364.7584  0.0162 -5.2322 3  398.1879600  5951614043728 9 1    3629 7 1      C-13-H3C(O)CH3
  366375.6654  0.1069 -6.4439 3 1552.9543628  595161404783345 4    783346 4      C-13-H3C(O)CH3
  366375.6654  0.1069 -6.4439 3 1552.9543628  595161404783445 4    783246 4      C-13-H3C(O)CH3
  366375.7127  0.1069 -6.3898 3 1552.9542628  595161404783445 3    783246 3      C-13-H3C(O)CH3
  366375.7127  0.1069 -6.3897 3 1552.9542628  595161404783345 3    783346 3      C-13-H3C(O)CH3
  366397.3593  0.0404 -6.4744 3  585.2562696  5951614044339 5 2    4240 3 2      C-13-H3C(O)CH3
  366397.7389  0.0085 -6.2539 3  221.3733236  595161404291614 4    291317 4      C-13-H3C(O)CH3
  366397.9197  0.0074 -6.2539 3  221.3733236  595161404291614 3    291317 3      C-13-H3C(O)CH3
  366409.1643  0.1212 -6.3529 3 1552.9374C56  595161404783445 1    783246 1      C-13-H3C(O)CH3
  366409.1643  0.1212 -6.3529 3 1552.9374C56  595161404783345 1    783346 1      C-13-H3C(O)CH3
  366409.1643  0.1212 -6.3640 3 1552.9374C56  595161404783345 1    783246 1      C-13-H3C(O)CH3
  366409.1643  0.1212 -6.3640 3 1552.9374C56  595161404783445 1    783346 1      C-13-H3C(O)CH3
  366409.4104  0.0187 -5.7480 3  498.5872696  595161404432320 2    422617 2      C-13-H3C(O)CH3
  366410.4899  0.1144 -6.4010 3 1552.9404C56  595161404783445 2    783346 2      C-13-H3C(O)CH3
  366410.4899  0.1144 -6.3196 3 1552.9404C56  595161404783345 2    783346 2      C-13-H3C(O)CH3
  366410.4899  0.1144 -6.4010 3 1552.9404C56  595161404783345 2    783246 2      C-13-H3C(O)CH3
  366410.4899  0.1144 -6.3196 3 1552.9404C56  595161404783445 2    783246 2      C-13-H3C(O)CH3
  366411.3692  0.0520 -6.7764 3  585.2295348  5951614044339 5 4    4240 3 4      C-13-H3C(O)CH3
  366422.8814  0.0421 -6.3592 3  411.4290308  595161404382711 3    382414 3      C-13-H3C(O)CH3
  366429.4282  0.0072 -5.9516 3  221.3853472  595161404291614 2    291317 2      C-13-H3C(O)CH3
  366430.8223  0.0023 -3.6530 3  223.5216284  59516140435 432 3    34 331 3      C-13-H3C(O)CH3
  366430.8223  0.0023 -3.6530 3  223.5216284  59516140435 332 3    34 431 3      C-13-H3C(O)CH3
  366430.8334  0.0023 -4.0104 3  223.5216284  59516140435 332 4    34 331 4      C-13-H3C(O)CH3
  366430.8334  0.0023 -4.0104 3  223.5216284  59516140435 432 4    34 431 4      C-13-H3C(O)CH3
  366430.8619  0.0023 -3.8990 3  223.5216284 -59516140435 332 4    34 431 4      C-13-H3C(O)CH3
  366430.8619  0.0023 -5.8205 3  223.5216284 -59516140435 432 3    34 431 3      C-13-H3C(O)CH3
  366430.8619  0.0023 -5.8205 3  223.5216284 -59516140435 332 3    34 331 3      C-13-H3C(O)CH3
  366430.8619  0.0023 -3.8990 3  223.5216284 -59516140435 432 4    34 331 4      C-13-H3C(O)CH3
  366440.2027  0.3016 -6.2909 3  757.9510420  595161404523418 4    523121 4      C-13-H3C(O)CH3
  366443.9227  0.1239 -6.1096 3 1552.9236C56  595161404783345 0    783246 0      C-13-H3C(O)CH3
  366443.9227  0.1239 -6.1096 3 1552.9236C56  595161404783445 0    783346 0      C-13-H3C(O)CH3
  366452.5103  0.0283 -6.1664 3  549.9027680  5951614044237 5 0    4138 4 0      C-13-H3C(O)CH3
  366452.5103  0.0283 -6.1664 3  549.9027680  5951614044237 6 0    4138 3 0      C-13-H3C(O)CH3
  366468.7908  0.0026 -3.4156 3  223.4969568  59516140435 332 1    34 331 1      C-13-H3C(O)CH3
  366468.7908  0.0026 -4.1956 3  223.4969568  59516140435 432 1    34 331 1      C-13-H3C(O)CH3
  366468.8547  0.0026 -3.5541 3  223.4964568 -59516140435 332 2    34 431 2      C-13-H3C(O)CH3
  366468.8547  0.0026 -3.7734 3  223.4964568 -59516140435 432 2    34 431 2      C-13-H3C(O)CH3
  366468.8547  0.0026 -3.4156 3  223.4969568 -59516140435 432 1    34 431 1      C-13-H3C(O)CH3
  366468.8547  0.0026 -4.1956 3  223.4969568 -59516140435 332 1    34 431 1      C-13-H3C(O)CH3
  366468.9708  0.0026 -3.7734 3  223.4964568  59516140435 332 2    34 331 2      C-13-H3C(O)CH3
  366468.9708  0.0026 -3.5541 3  223.4964568  59516140435 432 2    34 331 2      C-13-H3C(O)CH3
  366472.4726  0.0155 -5.2314 3  398.1705600  595161404372810 1    3629 8 1      C-13-H3C(O)CH3
  366482.4947  0.0165 -5.7491 3  498.5898696  595161404432320 1    422617 1      C-13-H3C(O)CH3
  366494.0844  0.0825 -5.8378 3  648.2344776  595161404483216 0    482919 0      C-13-H3C(O)CH3
  366496.4426  0.0099 -4.6050 3  655.9600888 -595161404551343 0    551244 0      C-13-H3C(O)CH3
  366496.4426  0.0099 -4.6050 3  655.9600888 -595161404551243 0    551144 0      C-13-H3C(O)CH3
  366497.3865  0.0162 -5.1078 3  109.5868328  5951614042015 6 1    1914 5 1      C-13-H3C(O)CH3
  366503.3320  0.4595 -6.3251 3  938.4626468  595161404583721 4    583424 4      C-13-H3C(O)CH3
  366503.6092  0.0072 -5.9516 3  221.3879472  595161404291614 1    291317 1      C-13-H3C(O)CH3
  366506.8103  0.0022 -3.3529 3  223.4719568 -59516140435 432 0    34 331 0      C-13-H3C(O)CH3
  366506.8103  0.0022 -3.3529 3  223.4719568 -59516140435 332 0    34 431 0      C-13-H3C(O)CH3
  366506.8481  0.0022 -5.3787 3  223.4719568  59516140435 332 0    34 331 0      C-13-H3C(O)CH3
  366506.8481  0.0022 -5.3787 3  223.4719568  59516140435 432 0    34 431 0      C-13-H3C(O)CH3
  366508.8142  0.0298 -6.1676 3  549.9036680  5951614044237 5 2    4138 3 2      C-13-H3C(O)CH3
  366515.7027  0.0171 -5.5322 3  398.1619300  595161404372810 3    3629 7 3      C-13-H3C(O)CH3
  366530.8331  0.0159 -5.2313 3  398.1997600  5951614043728 9 2    3629 7 2      C-13-H3C(O)CH3
  366535.1137  0.2977 -6.3708 3 1441.1537A80  5951614046762 6 1    6761 7 1      C-13-H3C(O)CH3
  366535.1991  0.0067 -5.9501 3  221.3999472  595161404291614 0    291317 0      C-13-H3C(O)CH3
  366535.3770  0.3936 -6.3708 3 1441.1666A80  5951614046762 5 0    6761 6 0      C-13-H3C(O)CH3
  366535.3770  0.3936 -6.3708 3 1441.1666A80  5951614046762 6 0    6761 7 0      C-13-H3C(O)CH3
  366536.4216  0.3063 -6.5531 3 1651.6023B76  595161404736310 2    736211 2      C-13-H3C(O)CH3
  366547.5872  0.0132 -4.6234 3  655.9308888  595161404551343 2    551244 2      C-13-H3C(O)CH3
  366547.5872  0.0132 -5.9412 3  655.9308888  595161404551243 2    551244 2      C-13-H3C(O)CH3
  366547.5872  0.0132 -4.6234 3  655.9308888  595161404551243 2    551144 2      C-13-H3C(O)CH3
  366547.5872  0.0132 -5.9412 3  655.9308888  595161404551343 2    551144 2      C-13-H3C(O)CH3
  366547.8875  0.0136 -4.6889 3  655.9312888  595161404551343 1    551144 1      C-13-H3C(O)CH3
  366547.8875  0.0136 -5.3489 3  655.9312888  595161404551243 1    551144 1      C-13-H3C(O)CH3
  366547.8875  0.0136 -4.6552 3  655.9312888  595161404551343 1    551244 1      C-13-H3C(O)CH3
  366547.8875  0.0136 -5.5487 3  655.9312888  595161404551243 1    551244 1      C-13-H3C(O)CH3
  366554.2945  0.2243 -5.9495 3  702.0218808  595161404503317 2    503020 2      C-13-H3C(O)CH3
  366575.7151  0.0335 -6.1670 3  549.8658680  5951614044237 6 1    4138 4 1      C-13-H3C(O)CH3
  366584.1148  0.3532 -6.8201 3 1842.5381C56  595161404786414 2    786315 2      C-13-H3C(O)CH3
  366592.8670  0.4283 -6.5530 3 1651.6237B76  595161404736311 0    736212 0      C-13-H3C(O)CH3
  366592.8670  0.4283 -6.5530 3 1651.6237B76  595161404736310 0    736211 0      C-13-H3C(O)CH3
  366599.0892  0.0148 -6.2446 3  655.9019444  595161404551343 4    551244 4      C-13-H3C(O)CH3
  366599.0892  0.0148 -6.2446 3  655.9019444  595161404551243 4    551144 4      C-13-H3C(O)CH3
  366599.0892  0.0148 -4.9240 3  655.9019444  595161404551343 4    551144 4      C-13-H3C(O)CH3
  366599.0892  0.0148 -4.9240 3  655.9019444  595161404551243 4    551244 4      C-13-H3C(O)CH3
  366599.1410  0.0148 -5.0603 3  655.9019444  595161404551243 3    551244 3      C-13-H3C(O)CH3
  366599.1410  0.0148 -5.0603 3  655.9019444  595161404551343 3    551144 3      C-13-H3C(O)CH3
  366599.1410  0.0148 -5.4229 3  655.9019444  595161404551243 3    551144 3      C-13-H3C(O)CH3
  366599.1410  0.0148 -5.4229 3  655.9019444  595161404551343 3    551244 3      C-13-H3C(O)CH3
  366601.6016  0.0037 -4.7397 3   72.6861140  5951614041711 7 4    16 8 8 4      C-13-H3C(O)CH3
  366608.8337  0.0170 -5.7478 3  498.6057696  595161404432320 0    422617 0      C-13-H3C(O)CH3
  366618.6048  0.3128 -6.5530 3 1651.6046B76  595161404736310 1    736211 1      C-13-H3C(O)CH3
  366625.1010  0.0174 -5.5313 3  398.1443300  595161404372810 4    3629 8 4      C-13-H3C(O)CH3
  366632.8225  0.0366 -6.4692 3  549.8667340  5951614044237 6 3    4138 4 3      C-13-H3C(O)CH3
  366642.1077  0.3036 -6.3707 3 1441.1801A80  5951614046762 5 1    6761 6 1      C-13-H3C(O)CH3
  366645.2917  0.3520 -6.8200 3 1842.5309C56  595161404786414 1    786315 1      C-13-H3C(O)CH3
  366661.5983  0.0362 -6.4682 3  549.8865340  5951614044237 5 3    4138 3 3      C-13-H3C(O)CH3
  366678.4272  0.3164 -6.3706 3 1441.1670A80  5951614046762 5 2    6761 6 2      C-13-H3C(O)CH3
  366678.4801  0.2507 -6.6717 3 1441.1543540  5951614046762 6 3    6761 7 3      C-13-H3C(O)CH3
  366692.9388  0.0188 -5.5326 3  398.1728300  5951614043728 9 4    3629 7 4      C-13-H3C(O)CH3
  366702.9275  0.3143 -6.5528 3 1651.5822B76  595161404736311 2    736212 2      C-13-H3C(O)CH3
  366704.8229  0.3062 -6.5528 3 1651.5896B76  595161404736311 1    736212 1      C-13-H3C(O)CH3
  366706.1706  0.4768 -6.8200 3 1842.5662C56  595161404786415 0    786315 0      C-13-H3C(O)CH3
  366706.1706  0.4768 -6.8200 3 1842.5662C56  595161404786414 0    786316 0      C-13-H3C(O)CH3
  366717.3632  0.2668 -6.6717 3 1441.1398540  5951614046762 6 4    6761 7 4      C-13-H3C(O)CH3
  366718.2506  0.2949 -6.3706 3 1441.1526A80  5951614046762 6 2    6761 7 2      C-13-H3C(O)CH3
  366732.4465  0.0375 -6.0806 3  411.4476616  595161404382711 2    382414 2      C-13-H3C(O)CH3
  366748.6467  0.0042 -4.7373 3   72.6856140  5951614041711 7 3    16 8 8 3      C-13-H3C(O)CH3
  366750.1452  0.1302 -6.4113 3  648.2018776  595161404483217 2    482919 2      C-13-H3C(O)CH3
  366752.9450  0.3898 -6.8198 3 1842.5196C56  595161404786415 2    786316 2      C-13-H3C(O)CH3
  366760.7542  0.1421 -6.2604 3  900.1164460  595161404573522 3    573225 3      C-13-H3C(O)CH3
  366769.2074  0.2377 -6.6695 3 1880.9416D68  595161404853946 2    853847 2      C-13-H3C(O)CH3
  366769.2074  0.2377 -6.6694 3 1880.9416D68  595161404854046 2    853947 2      C-13-H3C(O)CH3
  366774.6566  0.2616 -6.6684 3 1880.9389D68  595161404853946 1    853847 1      C-13-H3C(O)CH3
  366774.6566  0.2616 -6.6684 3 1880.9389D68  595161404854046 1    853947 1      C-13-H3C(O)CH3
  366785.7554  0.2915 -6.6716 3 1441.1805540  5951614046762 5 4    6761 6 4      C-13-H3C(O)CH3
  366800.6112  0.0164 -5.5317 3  398.1553300  5951614043728 9 3    3629 8 3      C-13-H3C(O)CH3
  366804.7034  0.1346 -6.2609 3  900.1165460  595161404573522 4    573225 4      C-13-H3C(O)CH3
  366804.9697  0.2648 -6.6685 3 1880.9401D68  595161404853946 0    853847 0      C-13-H3C(O)CH3
  366804.9697  0.2648 -6.6685 3 1880.9401D68  595161404854046 0    853947 0      C-13-H3C(O)CH3
  366811.4696  0.0279 -6.4017 3  744.3913856  595161404532727 0    522824 0      C-13-H3C(O)CH3
  366825.0741  0.2623 -6.6716 3 1441.1661540  5951614046762 5 3    6761 6 3      C-13-H3C(O)CH3
  366829.4430  0.0436 -6.3820 3  411.4292308  595161404382711 4    382414 4      C-13-H3C(O)CH3
  366841.7637  0.3751 -6.8197 3 1842.5196C56  595161404786415 1    786316 1      C-13-H3C(O)CH3
  366846.7914  0.0099 -5.7227 3  333.1411568  595161404352115 0    351818 0      C-13-H3C(O)CH3
  366863.4453  0.0161 -4.9733 3  109.5860328  5951614042015 6 2    1914 5 2      C-13-H3C(O)CH3
  366882.9434  0.0302 -6.4006 3  744.3861856  595161404532727 1    522824 1      C-13-H3C(O)CH3
  366891.8048  0.0105 -5.7231 3  333.1134568  595161404352115 2    351818 2      C-13-H3C(O)CH3
  366891.9858  0.0316 -6.1657 3  549.8635680  5951614044237 6 2    4138 4 2      C-13-H3C(O)CH3
  366914.5460  0.0403 -6.3995 3  744.3845856  595161404532727 2    522824 2      C-13-H3C(O)CH3
  366930.4659  0.1386 -5.9621 3  900.1187920  595161404573522 2    573225 2      C-13-H3C(O)CH3
  366931.2451  0.0103 -5.7231 3  333.1175568  595161404352115 1    351818 1      C-13-H3C(O)CH3
  366972.7185  0.1322 -5.9622 3  900.1184920  595161404573522 1    573225 1      C-13-H3C(O)CH3
  366974.3136  0.0106 -6.0244 3  333.0898284  595161404352115 4    351818 4      C-13-H3C(O)CH3
  366976.5658  0.0103 -6.0244 3  333.0898284  595161404352115 3    351818 3      C-13-H3C(O)CH3
  366982.3014  0.0037 -4.4372 3   72.6533280  5951614041711 7 1    16 8 8 1      C-13-H3C(O)CH3
  366986.4396  0.0424 -6.6995 3  744.3792428  595161404532727 4    522824 4      C-13-H3C(O)CH3
  366986.9959  0.0422 -6.6995 3  744.3792428  595161404532727 3    522824 3      C-13-H3C(O)CH3
  367006.9746  0.0092 -4.7619 3  622.8378872  595161404541243 0    541144 0      C-13-H3C(O)CH3
  367006.9746  0.0092 -4.7619 3  622.8378872  595161404541143 0    541044 0      C-13-H3C(O)CH3
  367006.9746  0.0092 -5.0128 3  622.8378872  595161404541143 0    541144 0      C-13-H3C(O)CH3
  367006.9746  0.0092 -5.0128 3  622.8378872  595161404541243 0    541044 0      C-13-H3C(O)CH3
  367013.8013  0.0417 -6.4674 3  549.8267340  5951614044237 6 4    4138 4 4      C-13-H3C(O)CH3
  367035.6089  0.0128 -4.8667 3  622.8074872  595161404541143 2    541044 2      C-13-H3C(O)CH3
  367035.6089  0.0128 -4.8720 3  622.8074872  595161404541243 2    541044 2      C-13-H3C(O)CH3
  367035.6089  0.0128 -4.7566 3  622.8074872  595161404541243 2    541144 2      C-13-H3C(O)CH3
  367035.6089  0.0128 -5.0219 3  622.8074872  595161404541143 2    541144 2      C-13-H3C(O)CH3
  367036.0612  0.0131 -4.5685 3  622.8078872  595161404541243 1    541144 1      C-13-H3C(O)CH3
  367036.0612  0.0131 -4.5685 3  622.8078872  595161404541143 1    541044 1      C-13-H3C(O)CH3
  367039.8842  0.0095 -4.7933 3  302.8697536  595161404332211 0    322310 0      C-13-H3C(O)CH3
  367047.5388  0.0092 -4.7941 3  302.8493536  595161404332211 2    322310 2      C-13-H3C(O)CH3
  367059.4196  0.0193 -5.5034 3  302.8258268  595161404332211 4    3223 9 4      C-13-H3C(O)CH3
  367064.6157  0.0137 -4.8692 3  622.7772436  595161404541243 4    541144 4      C-13-H3C(O)CH3
  367064.6157  0.0137 -4.8692 3  622.7772436  595161404541143 4    541044 4      C-13-H3C(O)CH3
  367064.7400  0.0137 -5.1441 3  622.7773436  595161404541143 3    541044 3      C-13-H3C(O)CH3
  367064.7400  0.0137 -5.1980 3  622.7773436  595161404541143 3    541144 3      C-13-H3C(O)CH3
  367064.7400  0.0137 -6.3960 3  622.7773436  595161404541243 3    541044 3      C-13-H3C(O)CH3
  367064.7400  0.0137 -4.8823 3  622.7773436  595161404541243 3    541144 3      C-13-H3C(O)CH3
  367066.5651  0.0088 -6.7204 3   34.5447200  5951614041210 3 0    11 5 6 0      C-13-H3C(O)CH3
  367068.3007  0.0123 -5.1551 3  302.8465536  595161404332211 1    3223 9 1      C-13-H3C(O)CH3
  367074.6193  0.0041 -4.4382 3   72.6494280  5951614041711 7 2    16 8 8 2      C-13-H3C(O)CH3
  367092.2515  0.0361 -5.3292 3 1127.1350A96  595161404682544 0    682445 0      C-13-H3C(O)CH3
  367092.2515  0.0361 -6.5022 3 1127.1350A96  595161404682444 0    682445 0      C-13-H3C(O)CH3
  367092.2515  0.0361 -5.3292 3 1127.1350A96  595161404682444 0    682345 0      C-13-H3C(O)CH3
  367092.2515  0.0361 -6.5022 3 1127.1350A96  595161404682544 0    682345 0      C-13-H3C(O)CH3
  367092.6397  0.0174 -5.4097 3  302.8258268  595161404332211 3    3223 9 3      C-13-H3C(O)CH3
  367112.6131  0.1244 -6.6027 3  648.1809388  595161404483217 4    482919 4      C-13-H3C(O)CH3
  367124.1475  0.0396 -5.3010 3 1127.1497A96  595161404682444 1    682345 1      C-13-H3C(O)CH3
  367124.1475  0.0396 -5.3010 3 1127.1497A96  595161404682544 1    682445 1      C-13-H3C(O)CH3
  367128.8642  0.0448 -5.3253 3 1127.1506A96  595161404682444 2    682445 2      C-13-H3C(O)CH3
  367128.8642  0.0448 -6.5637 3 1127.1506A96  595161404682544 2    682445 2      C-13-H3C(O)CH3
  367128.8642  0.0448 -6.5637 3 1127.1506A96  595161404682444 2    682345 2      C-13-H3C(O)CH3
  367128.8642  0.0448 -5.3253 3 1127.1506A96  595161404682544 2    682345 2      C-13-H3C(O)CH3
  367135.8826  0.1316 -5.9647 3  900.1205920  595161404573522 0    573225 0      C-13-H3C(O)CH3
  367160.8356  0.0394 -6.4323 3 1127.1653548  595161404682444 3    682445 3      C-13-H3C(O)CH3
  367160.8356  0.0394 -5.6713 3 1127.1653548  595161404682544 3    682445 3      C-13-H3C(O)CH3
  367160.8356  0.0394 -6.4323 3 1127.1653548  595161404682544 3    682345 3      C-13-H3C(O)CH3
  367160.8356  0.0394 -5.6713 3 1127.1653548  595161404682444 3    682345 3      C-13-H3C(O)CH3
  367160.9421  0.0395 -5.8460 3 1127.1654548  595161404682444 4    682445 4      C-13-H3C(O)CH3
  367160.9421  0.0395 -5.9684 3 1127.1654548  595161404682444 4    682345 4      C-13-H3C(O)CH3
  367160.9421  0.0395 -5.9684 3 1127.1654548  595161404682544 4    682445 4      C-13-H3C(O)CH3
  367160.9421  0.0395 -5.8460 3 1127.1654548  595161404682544 4    682345 4      C-13-H3C(O)CH3
  367162.1463  0.0021 -4.0799 3  174.8745212 -595161404261313 3    251412 3      C-13-H3C(O)CH3
  367165.3967  0.0020 -4.0799 3  174.8745212 -595161404261313 4    251412 4      C-13-H3C(O)CH3
  367179.7655  0.0240 -5.9065 3  515.8248664  5951614044135 6 1    4036 4 1      C-13-H3C(O)CH3
  367187.4893  0.0156 -6.7468 3   45.0970108  5951614041312 2 3    12 9 3 3      C-13-H3C(O)CH3
  367212.2589  0.0034 -3.7252 3  106.3265156  5951614041917 2 4    1816 2 4      C-13-H3C(O)CH3
  367241.7381  0.0021 -3.7795 3  174.8760424 -595161404261313 2    251412 2      C-13-H3C(O)CH3
  367252.4248  0.0022 -3.7789 3  174.8806424 -595161404261313 1    251412 1      C-13-H3C(O)CH3
  367266.9231  0.2005 -6.1717 3  701.9996404  595161404503317 3    503020 3      C-13-H3C(O)CH3
  367287.0343  0.0031 -3.7250 3  106.2539156  5951614041917 2 3    1816 2 3      C-13-H3C(O)CH3
  367287.8860  0.0354 -5.7312 3  460.5559664  595161404412417 2    412120 2      C-13-H3C(O)CH3
  367290.0101  0.0382 -6.0316 3  460.5332332  595161404412417 3    412120 3      C-13-H3C(O)CH3
  367298.2783  0.0063 -4.6927 3  279.6818520  595161404322013 2    312110 2      C-13-H3C(O)CH3
  367298.6102  0.0379 -6.0316 3  460.5332332  595161404412417 4    412120 4      C-13-H3C(O)CH3
  367305.3867  0.0242 -5.9054 3  515.8159664  5951614044135 7 0    4036 4 0      C-13-H3C(O)CH3
  367305.3867  0.0242 -5.9054 3  515.8159664  5951614044135 6 0    4036 5 0      C-13-H3C(O)CH3
  367324.1236  0.0384 -6.5994 3  827.7866904  595161404562729 0    553026 0      C-13-H3C(O)CH3
  367330.7339  0.0020 -3.7796 3  174.8820424 -595161404261313 0    251412 0      C-13-H3C(O)CH3
  367334.1674  0.0034 -3.7248 3  106.2512156  5951614041917 3 3    1816 3 3      C-13-H3C(O)CH3
  367340.1791  0.0133 -6.6262 3   45.0970108  5951614041312 1 3    12 9 3 3      C-13-H3C(O)CH3
  367368.8926  0.0280 -6.2082 3  515.8190332  5951614044135 6 4    4036 4 4      C-13-H3C(O)CH3
  367372.6327  0.0056 -4.6931 3  279.7016520  595161404322013 0    312110 0      C-13-H3C(O)CH3
  367374.9365  0.0414 -6.5981 3  827.7880904  595161404562729 1    553026 1      C-13-H3C(O)CH3
  367381.3533  0.0035 -4.4378 3   72.6170280  5951614041711 7 0    16 8 8 0      C-13-H3C(O)CH3
  367382.1098  0.0082 -5.0061 3  279.6599260  595161404322013 4    312110 4      C-13-H3C(O)CH3
  367387.3800  0.0473 -6.5974 3  827.7877904  595161404562729 2    553026 2      C-13-H3C(O)CH3
  367390.8206  0.0089 -5.0047 3  279.6597260  595161404322013 3    312110 3      C-13-H3C(O)CH3
  367408.8420  0.0032 -3.7246 3  106.1787156 -5951614041917 3 4    1816 3 4      C-13-H3C(O)CH3
  367427.0678  0.2722 -6.0877 3 1033.3932984  595161404613823 0    613526 0      C-13-H3C(O)CH3
  367427.6825  0.3951 -6.0676 3 1002.8398968  595161404603822 0    603525 0      C-13-H3C(O)CH3
  367453.7853  0.0030 -3.4234 3  106.3001312 -5951614041917 2 1    1816 2 1      C-13-H3C(O)CH3
  367459.1588  0.0064 -4.7044 3  279.6798520  595161404322013 1    312110 1      C-13-H3C(O)CH3
  367460.5509  0.0385 -6.5990 3  827.7820904  595161404562829 0    552926 0      C-13-H3C(O)CH3
  367461.4388  0.0220 -5.3069 3  302.8124268  595161404332211 4    322310 4      C-13-H3C(O)CH3
  367466.8496  0.0140 -5.0398 3  302.8332536  595161404332211 1    322310 1      C-13-H3C(O)CH3
  367492.3431  0.0216 -5.3791 3  302.8125268  595161404332211 3    322310 3      C-13-H3C(O)CH3
  367493.5177  0.0242 -5.9060 3  515.8102664  5951614044135 6 2    4036 4 2      C-13-H3C(O)CH3
  367499.4716  0.3136 -6.3807 3 1409.8177A64  5951614046662 5 1    6661 6 1      C-13-H3C(O)CH3
  367502.3651  0.0127 -4.8414 3  590.2394428  595161404531143 4    531044 4      C-13-H3C(O)CH3
  367502.3651  0.0127 -5.5628 3  590.2394428  595161404531043 4    531044 4      C-13-H3C(O)CH3
  367502.3651  0.0127 -4.9304 3  590.2394428  595161404531043 4    53 944 4      C-13-H3C(O)CH3
  367502.3814  0.0126 -4.5392 3  590.2696856  595161404531043 2    531044 2      C-13-H3C(O)CH3
  367502.3814  0.0126 -4.5392 3  590.2696856  595161404531143 2    53 944 2      C-13-H3C(O)CH3
  367502.5674  0.0127 -6.0585 3  590.2394428  595161404531043 3    531044 3      C-13-H3C(O)CH3
  367502.5674  0.0127 -5.1169 3  590.2394428  595161404531043 3    53 944 3      C-13-H3C(O)CH3
  367502.5674  0.0127 -4.8733 3  590.2394428  595161404531143 3    531044 3      C-13-H3C(O)CH3
  367502.5674  0.0127 -4.8757 3  590.2394428  595161404531143 3    53 944 3      C-13-H3C(O)CH3
  367502.5865  0.0090 -5.7955 3  590.3001856 -595161404531043 0    53 944 0      C-13-H3C(O)CH3
  367502.5865  0.0031 -3.4232 3  106.3104312 -5951614041917 2 2    1816 2 2      C-13-H3C(O)CH3
  367502.7352  0.0090 -5.7955 3  590.3001856  595161404531143 0    531044 0      C-13-H3C(O)CH3
  367502.7352  0.0090 -4.5632 3  590.3001856  595161404531143 0    53 944 0      C-13-H3C(O)CH3
  367502.7352  0.0090 -4.5632 3  590.3001856  595161404531043 0    531044 0      C-13-H3C(O)CH3
  367502.9134  0.0128 -4.7115 3  590.2700856  595161404531043 1    53 944 1      C-13-H3C(O)CH3
  367502.9134  0.0128 -5.1234 3  590.2700856  595161404531143 1    53 944 1      C-13-H3C(O)CH3
  367502.9134  0.0128 -4.6692 3  590.2700856  595161404531143 1    531044 1      C-13-H3C(O)CH3
  367502.9134  0.0128 -5.0217 3  590.2700856  595161404531043 1    531044 1      C-13-H3C(O)CH3
  367510.8975  0.0280 -5.9056 3  515.7726664  5951614044135 7 1    4036 5 1      C-13-H3C(O)CH3
  367519.9114  0.0412 -6.5978 3  827.7831904  595161404562829 1    552926 1      C-13-H3C(O)CH3
  367530.6859  0.0025 -3.8975 3  226.5234292  59516140436 334 3    35 333 3      C-13-H3C(O)CH3
  367530.6859  0.0025 -3.7849 3  226.5234292  59516140436 234 3    35 233 3      C-13-H3C(O)CH3
  367530.6901  0.0025 -3.9538 3  226.5234292 -59516140436 234 3    35 333 3      C-13-H3C(O)CH3
  367530.6901  0.0025 -4.1323 3  226.5234292 -59516140436 334 3    35 233 3      C-13-H3C(O)CH3
  367530.6901  0.0025 -4.1014 3  226.5234292 -59516140436 234 4    35 233 4      C-13-H3C(O)CH3
  367530.6901  0.0025 -3.7995 3  226.5234292 -59516140436 334 4    35 233 4      C-13-H3C(O)CH3
  367530.7052  0.0025 -4.1014 3  226.5234292  59516140436 334 4    35 333 4      C-13-H3C(O)CH3
  367530.7052  0.0025 -3.7995 3  226.5234292  59516140436 234 4    35 333 4      C-13-H3C(O)CH3
  367532.2840  0.0491 -6.5970 3  827.7829904  595161404562829 2    552926 2      C-13-H3C(O)CH3
  367535.5755  0.4088 -6.3806 3 1409.8269A64  5951614046662 5 0    6661 6 0      C-13-H3C(O)CH3
  367535.5755  0.4088 -6.3806 3 1409.8269A64  5951614046662 4 0    6661 5 0      C-13-H3C(O)CH3
  367560.9112  0.0027 -5.6307 3  226.4877584  59516140436 234 1    35 233 1      C-13-H3C(O)CH3
  367560.9112  0.0027 -5.6307 3  226.4877584  59516140436 334 1    35 333 1      C-13-H3C(O)CH3
  367560.9522  0.0027 -3.3247 3  226.4877584 -59516140436 334 1    35 233 1      C-13-H3C(O)CH3
  367560.9522  0.0027 -3.3276 3  226.4872584 -59516140436 234 2    35 333 2      C-13-H3C(O)CH3
  367560.9522  0.0027 -5.2853 3  226.4872584 -59516140436 334 2    35 233 2      C-13-H3C(O)CH3
  367560.9522  0.0027 -3.3247 3  226.4877584 -59516140436 234 1    35 333 1      C-13-H3C(O)CH3
  367561.0178  0.0027 -5.2599 3  226.4872584  59516140436 334 2    35 333 2      C-13-H3C(O)CH3
  367561.0178  0.0027 -3.3273 3  226.4872584  59516140436 234 2    35 233 2      C-13-H3C(O)CH3
  367574.8422  0.0031 -3.4230 3  106.2249312 -5951614041917 3 1    1816 3 1      C-13-H3C(O)CH3
  367576.5742  0.0031 -3.4231 3  106.2378312 -5951614041917 3 2    1816 3 2      C-13-H3C(O)CH3
  367591.1654  0.0023 -3.3238 3  226.4516584  59516140436 234 0    35 233 0      C-13-H3C(O)CH3
  367591.1654  0.0023 -3.3238 3  226.4516584  59516140436 334 0    35 333 0      C-13-H3C(O)CH3
  367591.1705  0.0023 -5.8414 3  226.4516584 -59516140436 234 0    35 333 0      C-13-H3C(O)CH3
  367591.1705  0.0023 -5.8414 3  226.4516584 -59516140436 334 0    35 233 0      C-13-H3C(O)CH3
  367603.3978  0.0953 -6.2852 3 1506.5777620  595161404773345 4    773146 4      C-13-H3C(O)CH3
  367603.3978  0.0953 -6.2852 3 1506.5777620  595161404773245 4    773246 4      C-13-H3C(O)CH3
  367603.4340  0.0954 -6.7164 3 1506.5777620  595161404773345 3    773146 3      C-13-H3C(O)CH3
  367603.4340  0.0954 -6.4654 3 1506.5777620  595161404773245 3    773146 3      C-13-H3C(O)CH3
  367603.4340  0.0954 -6.4654 3 1506.5777620  595161404773345 3    773246 3      C-13-H3C(O)CH3
  367603.4340  0.0954 -6.7164 3 1506.5777620  595161404773245 3    773246 3      C-13-H3C(O)CH3
  367612.9401  0.0292 -6.2066 3  515.7886332  5951614044135 6 3    4036 4 3      C-13-H3C(O)CH3
  367623.5735  0.0207 -5.7323 3  460.5828664  595161404412417 0    412120 0      C-13-H3C(O)CH3
  367626.3031  0.0222 -5.7317 3  460.5601664  595161404412417 1    412120 1      C-13-H3C(O)CH3
  367630.1794  0.0116 -6.3911 3   45.0043108  5951614041312 2 4    12 9 4 4      C-13-H3C(O)CH3
  367633.1713  0.1047 -5.9712 3 1506.5592C40  595161404773245 1    773146 1      C-13-H3C(O)CH3
  367633.1713  0.1047 -5.9712 3 1506.5592C40  595161404773345 1    773246 1      C-13-H3C(O)CH3
  367635.3755  0.1005 -6.0891 3 1506.5621C40  595161404773245 2    773146 2      C-13-H3C(O)CH3
  367635.3755  0.1005 -6.5936 3 1506.5621C40  595161404773245 2    773246 2      C-13-H3C(O)CH3
  367635.3755  0.1005 -6.5936 3 1506.5621C40  595161404773345 2    773146 2      C-13-H3C(O)CH3
  367635.3755  0.1005 -6.0891 3 1506.5621C40  595161404773345 2    773246 2      C-13-H3C(O)CH3
  367649.2924  0.3192 -6.3806 3 1409.8477A64  5951614046662 4 1    6661 5 1      C-13-H3C(O)CH3
  367665.1053  0.1074 -5.9721 3 1506.5436C40  595161404773245 0    773246 0      C-13-H3C(O)CH3
  367665.1053  0.1074 -5.9721 3 1506.5436C40  595161404773345 0    773146 0      C-13-H3C(O)CH3
  367671.0695  0.0869 -5.9426 3  648.2129776  595161404483216 1    482919 1      C-13-H3C(O)CH3
  367685.2644  0.2833 -6.6816 3 1409.8117532  5951614046662 5 4    6661 6 4      C-13-H3C(O)CH3
  367696.4397  0.2671 -6.6815 3 1409.8251532  5951614046662 5 3    6661 6 3      C-13-H3C(O)CH3
  367698.9965  0.0302 -6.2072 3  515.7669332  5951614044135 7 3    4036 5 3      C-13-H3C(O)CH3
  367722.0119  0.3087 -6.3804 3 1409.8209A64  5951614046662 5 2    6661 6 2      C-13-H3C(O)CH3
  367732.4007  0.3351 -6.3804 3 1409.8342A64  5951614046662 4 2    6661 5 2      C-13-H3C(O)CH3
  367738.1638  0.0261 -5.9044 3  515.7796664  5951614044135 7 2    4036 5 2      C-13-H3C(O)CH3
  367743.1403  0.0032 -3.4225 3  106.2839312 -5951614041917 2 0    1816 3 0      C-13-H3C(O)CH3
  367743.1403  0.0032 -3.4225 3  106.2839312 -5951614041917 3 0    1816 2 0      C-13-H3C(O)CH3
  367780.6378  0.0018 -3.9820 3  183.6305220 -595161404271215 3    261314 3      C-13-H3C(O)CH3
  367780.6378  0.0018 -3.9820 3  183.6305220 -595161404271215 4    261314 4      C-13-H3C(O)CH3
  367821.6217  0.2524 -6.0877 3 1033.3909984  595161404613823 2    613526 2      C-13-H3C(O)CH3
  367835.8862  0.2750 -6.6814 3 1409.8416532  5951614046662 4 3    6661 5 3      C-13-H3C(O)CH3
  367845.3463  0.0156 -4.1859 3  109.5683164  5951614042015 6 3    1914 5 3      C-13-H3C(O)CH3
  367847.0039  0.3083 -6.6814 3 1409.8549532  5951614046662 4 4    6661 5 4      C-13-H3C(O)CH3
  367853.6448  0.3106 -6.5187 3 1617.3216B60  5951614047263 9 2    726210 2      C-13-H3C(O)CH3
  367855.6155  0.0018 -3.9818 3  183.6285220  595161404271315 4    261214 4      C-13-H3C(O)CH3
  367856.0900  0.0018 -3.9818 3  183.6285220  595161404271315 3    261214 3      C-13-H3C(O)CH3
  367856.5840  0.0020 -3.6810 3  183.6381440 -595161404271215 1    261314 1      C-13-H3C(O)CH3
  367865.2672  0.0020 -3.6812 3  183.6346440 -595161404271215 2    261314 2      C-13-H3C(O)CH3
  367876.3674  0.4273 -6.5187 3 1617.3411B60  5951614047263 9 0    726210 0      C-13-H3C(O)CH3
  367876.3674  0.4273 -6.5187 3 1617.3411B60  595161404726310 0    726211 0      C-13-H3C(O)CH3
  367901.2916  0.2735 -6.8197 3 1617.3071580  5951614047263 9 4    726210 4      C-13-H3C(O)CH3
  367912.8369  0.0119 -5.1745 3  558.2894420  595161404521043 4    52 844 4      C-13-H3C(O)CH3
  367912.8369  0.0119 -5.0646 3  558.2894420  59516140452 943 4    52 844 4      C-13-H3C(O)CH3
  367912.8369  0.0119 -5.0646 3  558.2894420  595161404521043 4    52 944 4      C-13-H3C(O)CH3
  367912.8369  0.0119 -5.1745 3  558.2894420  59516140452 943 4    52 944 4      C-13-H3C(O)CH3
  367913.1173  0.0118 -5.9275 3  558.2895420  595161404521043 3    52 844 3      C-13-H3C(O)CH3
  367913.1173  0.0118 -4.8500 3  558.2895420  595161404521043 3    52 944 3      C-13-H3C(O)CH3
  367913.1173  0.0118 -4.8500 3  558.2895420  59516140452 943 3    52 844 3      C-13-H3C(O)CH3
  367913.1173  0.0118 -5.9275 3  558.2895420  59516140452 943 3    52 944 3      C-13-H3C(O)CH3
  367915.7005  0.0336 -5.8127 3 1086.4619A80  595161404672444 0    672345 0      C-13-H3C(O)CH3
  367915.7005  0.0336 -5.8127 3 1086.4619A80  595161404672344 0    672245 0      C-13-H3C(O)CH3
  367915.7005  0.0336 -5.3639 3 1086.4619A80  595161404672444 0    672245 0      C-13-H3C(O)CH3
  367915.7005  0.0336 -5.3639 3 1086.4619A80  595161404672344 0    672345 0      C-13-H3C(O)CH3
  367919.0185  0.2550 -6.0879 3 1033.3872984  595161404613823 1    613526 1      C-13-H3C(O)CH3
  367924.2275  0.3150 -6.5186 3 1617.3266B60  5951614047263 9 1    726210 1      C-13-H3C(O)CH3
  367931.3303  0.0020 -3.6807 3  183.6361440 -595161404271315 1    261214 1      C-13-H3C(O)CH3
  367941.0297  0.0019 -3.6812 3  183.6423440 -595161404271215 0    261314 0      C-13-H3C(O)CH3
  367941.2577  0.0342 -6.2056 3  515.7363332  5951614044135 7 4    4036 5 4      C-13-H3C(O)CH3
  367942.7257  0.0020 -3.6810 3  183.6326440 -595161404271315 2    261214 2      C-13-H3C(O)CH3
  367949.0648  0.0124 -5.6374 3  558.3182840  595161404521043 2    52 944 2      C-13-H3C(O)CH3
  367949.0648  0.0124 -4.5480 3  558.3182840  595161404521043 2    52 844 2      C-13-H3C(O)CH3
  367949.0648  0.0124 -4.5480 3  558.3182840  59516140452 943 2    52 944 2      C-13-H3C(O)CH3
  367949.0648  0.0124 -5.6374 3  558.3182840  59516140452 943 2    52 844 2      C-13-H3C(O)CH3
  367949.6121  0.0126 -6.6437 3  558.3186840  59516140452 943 1    52 944 1      C-13-H3C(O)CH3
  367949.6121  0.0126 -4.5172 3  558.3186840  595161404521043 1    52 944 1      C-13-H3C(O)CH3
  367949.6121  0.0126 -6.6437 3  558.3186840  595161404521043 1    52 844 1      C-13-H3C(O)CH3
  367949.6121  0.0126 -4.5172 3  558.3186840  59516140452 943 1    52 844 1      C-13-H3C(O)CH3
  367951.6458  0.2278 -6.8196 3 1617.2914580  595161404726310 3    726210 3      C-13-H3C(O)CH3
  367958.1515  0.0378 -5.2338 3 1086.4742A80  595161404672444 1    672245 1      C-13-H3C(O)CH3
  367958.1515  0.0378 -5.2338 3 1086.4742A80  595161404672344 1    672345 1      C-13-H3C(O)CH3
  367962.5968  0.0424 -5.3396 3 1086.4749A80  595161404672344 2    672345 2      C-13-H3C(O)CH3
  367962.5968  0.0424 -5.8888 3 1086.4749A80  595161404672344 2    672245 2      C-13-H3C(O)CH3
  367962.5968  0.0424 -5.3396 3 1086.4749A80  595161404672444 2    672245 2      C-13-H3C(O)CH3
  367962.5968  0.0424 -5.8888 3 1086.4749A80  595161404672444 2    672345 2      C-13-H3C(O)CH3
  367974.0826  0.3054 -6.5185 3 1617.3108B60  595161404726310 1    726211 1      C-13-H3C(O)CH3
  367982.3120  0.0287 -6.2037 3  454.4680648  595161404402813 1    402515 1      C-13-H3C(O)CH3
  367985.5183  0.0092 -5.2712 3  558.3472840  595161404521043 0    52 844 0      C-13-H3C(O)CH3
  367985.5183  0.0092 -4.5974 3  558.3472840  595161404521043 0    52 944 0      C-13-H3C(O)CH3
  367985.5183  0.0092 -5.2712 3  558.3472840  59516140452 943 0    52 944 0      C-13-H3C(O)CH3
  367985.5183  0.0092 -4.5974 3  558.3472840  59516140452 943 0    52 844 0      C-13-H3C(O)CH3
  368005.1315  0.0360 -6.0891 3 1086.4872540  595161404672344 3    672345 3      C-13-H3C(O)CH3
  368005.1315  0.0360 -5.6738 3 1086.4872540  595161404672344 3    672245 3      C-13-H3C(O)CH3
  368005.1315  0.0360 -6.0891 3 1086.4872540  595161404672444 3    672245 3      C-13-H3C(O)CH3
  368005.1315  0.0360 -5.6738 3 1086.4872540  595161404672444 3    672345 3      C-13-H3C(O)CH3
  368005.2563  0.0361 -6.1848 3 1086.4872540  595161404672344 4    672345 4      C-13-H3C(O)CH3
  368005.2563  0.0361 -5.6420 3 1086.4872540  595161404672444 4    672345 4      C-13-H3C(O)CH3
  368005.2563  0.0361 -6.1848 3 1086.4872540  595161404672444 4    672245 4      C-13-H3C(O)CH3
  368005.2563  0.0361 -5.6420 3 1086.4872540  595161404672344 4    672245 4      C-13-H3C(O)CH3
  368006.2809  0.3096 -6.5185 3 1617.3031B60  595161404726310 2    726211 2      C-13-H3C(O)CH3
  368017.8268  0.0019 -3.6810 3  183.6402440 -595161404271315 0    261214 0      C-13-H3C(O)CH3
  368025.6027  0.0224 -6.2020 3  665.1795808  595161404502625 0    492722 0      C-13-H3C(O)CH3
  368038.6163  0.0532 -6.3720 3  596.5369744  595161404463116 1    462818 1      C-13-H3C(O)CH3
  368053.9159  0.2596 -6.8195 3 1617.2887580  5951614047263 9 3    726211 3      C-13-H3C(O)CH3
  368091.8608  0.2375 -6.3094 3  702.0003404  595161404503317 4    503020 4      C-13-H3C(O)CH3
  368103.5191  0.2393 -6.8193 3 1617.2729580  595161404726310 4    726211 4      C-13-H3C(O)CH3
  368123.2763  0.0234 -6.2011 3  665.1674808  595161404502625 1    492722 1      C-13-H3C(O)CH3
  368137.7959  0.0572 -5.8248 3  596.5574744  595161404463115 0    462818 0      C-13-H3C(O)CH3
  368160.9882  0.0019 -3.9174 3  191.7224228 -595161404281117 4    271216 4      C-13-H3C(O)CH3
  368160.9882  0.0019 -3.9174 3  191.7224228 -595161404281117 3    271216 3      C-13-H3C(O)CH3
  368161.8907  0.3448 -6.7689 3 1805.7877C40  595161404776413 2    776314 2      C-13-H3C(O)CH3
  368162.0773  0.0019 -3.9174 3  191.7224228 -595161404281217 4    271116 4      C-13-H3C(O)CH3
  368162.2964  0.0019 -3.9174 3  191.7224228 -595161404281217 3    271116 3      C-13-H3C(O)CH3
  368194.6303  0.0367 -6.1996 3  665.1636808  595161404502625 2    492722 2      C-13-H3C(O)CH3
  368200.8308  0.0443 -6.4812 3  454.4403324  595161404402813 4    402515 4      C-13-H3C(O)CH3
  368228.6490  0.0022 -3.6163 3  191.7306456 -595161404281117 1    271216 1      C-13-H3C(O)CH3
  368229.3723  0.0044 -4.2015 3  109.5683164  5951614042015 5 3    1914 5 3      C-13-H3C(O)CH3
  368229.7450  0.0022 -3.6163 3  191.7305456 -595161404281217 1    271116 1      C-13-H3C(O)CH3
  368234.2271  0.0021 -3.6165 3  191.7281456 -595161404281117 2    271216 2      C-13-H3C(O)CH3
  368235.5443  0.0021 -3.6165 3  191.7280456 -595161404281217 2    271116 2      C-13-H3C(O)CH3
  368237.5393  0.3529 -6.7688 3 1805.7824C40  595161404776413 1    776314 1      C-13-H3C(O)CH3
  368262.5577  0.0263 -5.8171 3  454.4864648  595161404402812 0    402515 0      C-13-H3C(O)CH3
  368271.1472  0.4831 -6.7687 3 1805.8158C40  595161404776414 0    776314 0      C-13-H3C(O)CH3
  368271.1472  0.4831 -6.7687 3 1805.8158C40  595161404776413 0    776315 0      C-13-H3C(O)CH3
  368292.4668  0.0382 -6.4997 3  665.1515404  595161404502625 4    492722 4      C-13-H3C(O)CH3
  368294.4029  0.0379 -6.4997 3  665.1514404  595161404502625 3    492722 3      C-13-H3C(O)CH3
  368296.4997  0.0114 -5.3497 3  526.9285412  59516140451 843 4    51 744 4      C-13-H3C(O)CH3
  368296.4997  0.0114 -4.9402 3  526.9285412  59516140451 943 4    51 744 4      C-13-H3C(O)CH3
  368296.4997  0.0114 -5.3497 3  526.9285412  59516140451 943 4    51 844 4      C-13-H3C(O)CH3
  368296.4997  0.0114 -4.9402 3  526.9285412  59516140451 843 4    51 844 4      C-13-H3C(O)CH3
  368296.8500  0.0112 -4.9493 3  526.9285412  59516140451 843 3    51 744 3      C-13-H3C(O)CH3
  368296.8500  0.0112 -4.9493 3  526.9285412  59516140451 943 3    51 844 3      C-13-H3C(O)CH3
  368296.8500  0.0112 -5.3271 3  526.9285412  59516140451 843 3    51 844 3      C-13-H3C(O)CH3
  368296.8500  0.0112 -5.3271 3  526.9285412  59516140451 943 3    51 744 3      C-13-H3C(O)CH3
  368298.8800  0.1713 -6.3884 3 1033.3847492  595161404613823 3    613526 3      C-13-H3C(O)CH3
  368301.5980  0.0019 -3.6164 3  191.7362456 -595161404281117 0    271216 0      C-13-H3C(O)CH3
  368303.0091  0.0019 -3.6164 3  191.7362456 -595161404281217 0    271116 0      C-13-H3C(O)CH3
  368303.3418  0.0027 -3.8956 3  109.6204164  5951614042015 5 4    1914 5 4      C-13-H3C(O)CH3
  368304.6263  0.0166 -5.6922 3  449.7587648  595161404402714 0    402417 0      C-13-H3C(O)CH3
  368328.1399  0.2153 -6.5773 3 1830.6264D52  595161404843946 2    843847 2      C-13-H3C(O)CH3
  368328.1399  0.2153 -6.5757 3 1830.6264D52  595161404843846 2    843747 2      C-13-H3C(O)CH3
  368329.9940  0.0166 -5.7358 3  449.7389648  595161404402714 1    402417 1      C-13-H3C(O)CH3
  368332.6968  0.2372 -6.5711 3 1830.6235D52  595161404843846 1    843747 1      C-13-H3C(O)CH3
  368332.6968  0.2372 -6.5711 3 1830.6235D52  595161404843946 1    843847 1      C-13-H3C(O)CH3
  368335.6075  0.3782 -6.7686 3 1805.7694C40  595161404776414 2    776315 2      C-13-H3C(O)CH3
  368361.2250  0.2085 -6.3898 3 1033.3848492  595161404613823 4    613526 4      C-13-H3C(O)CH3
  368366.0390  0.2403 -6.5712 3 1830.6224D52  595161404843846 0    843747 0      C-13-H3C(O)CH3
  368366.0390  0.2403 -6.5712 3 1830.6224D52  595161404843946 0    843847 0      C-13-H3C(O)CH3
  368376.7793  0.0121 -4.6378 3  526.9540824  59516140451 943 2    51 744 2      C-13-H3C(O)CH3
  368376.7793  0.0121 -4.6378 3  526.9540824  59516140451 843 2    51 844 2      C-13-H3C(O)CH3
  368376.9484  0.0121 -5.0516 3  526.9540824 -59516140451 943 2    51 844 2      C-13-H3C(O)CH3
  368376.9484  0.0121 -5.0516 3  526.9540824 -59516140451 843 2    51 744 2      C-13-H3C(O)CH3
  368377.2899  0.0123 -4.7714 3  526.9544824  59516140451 843 1    51 744 1      C-13-H3C(O)CH3
  368377.2899  0.0123 -4.8246 3  526.9544824  59516140451 943 1    51 744 1      C-13-H3C(O)CH3
  368377.2899  0.0123 -4.8246 3  526.9544824  59516140451 843 1    51 844 1      C-13-H3C(O)CH3
  368377.2899  0.0123 -4.7714 3  526.9544824  59516140451 943 1    51 844 1      C-13-H3C(O)CH3
  368380.9214  0.0028 -3.8967 3  109.4959164  5951614042015 6 4    1914 6 4      C-13-H3C(O)CH3
  368401.4087  0.0260 -6.1361 3  449.7140324  595161404402714 4    402417 4      C-13-H3C(O)CH3
  368409.8748  0.3646 -6.7685 3 1805.7720C40  595161404776414 1    776315 1      C-13-H3C(O)CH3
  368410.5380  0.3326 -6.4094 3 1378.9745A48  5951614046562 4 1    6561 5 1      C-13-H3C(O)CH3
  368415.3482  0.0025 -3.5893 3  109.5590328 -5951614042015 6 0    1914 5 0      C-13-H3C(O)CH3
  368418.4581  0.1697 -5.9762 3  648.2018776  595161404483216 2    482919 2      C-13-H3C(O)CH3
  368430.5192  0.0050 -5.3594 3   43.1239124  59516140415 411 3    14 312 3      C-13-H3C(O)CH3
  368430.6702  0.0050 -5.3594 3   43.1239124  59516140415 511 3    14 212 3      C-13-H3C(O)CH3
  368430.8253  0.0064 -5.3593 3   43.1239124  59516140415 411 4    14 312 4      C-13-H3C(O)CH3
  368430.9743  0.0064 -5.3593 3   43.1239124  59516140415 511 4    14 212 4      C-13-H3C(O)CH3
  368442.1076  0.0399 -6.1868 3  454.4585648  595161404402813 2    402515 2      C-13-H3C(O)CH3
  368453.0095  0.0046 -4.2008 3  109.5481164  5951614042015 6 3    1914 6 3      C-13-H3C(O)CH3
  368457.1127  0.0096 -4.9744 3  526.9799824  59516140451 843 0    51 744 0      C-13-H3C(O)CH3
  368457.1127  0.0096 -4.6714 3  526.9799824  59516140451 843 0    51 844 0      C-13-H3C(O)CH3
  368457.1127  0.0096 -4.5001 3  526.9799824  59516140451 943 0    51 744 0      C-13-H3C(O)CH3
  368457.1127  0.0096 -6.5172 3  526.9799824  59516140451 943 0    51 844 0      C-13-H3C(O)CH3
  368463.7904  0.5002 -6.0716 3 1002.8283968  595161404603822 2    603525 2      C-13-H3C(O)CH3
  368475.2244  0.0123 -6.4054 3   45.1373108  5951614041312 1 4    12 9 3 4      C-13-H3C(O)CH3
  368483.6505  0.0961 -6.3029 3  596.5250744  595161404463116 2    462818 2      C-13-H3C(O)CH3
  368486.7636  0.4294 -6.4092 3 1378.9805A48  5951614046562 4 0    6561 4 0      C-13-H3C(O)CH3
  368486.7636  0.4294 -6.4092 3 1378.9805A48  5951614046562 3 0    6561 5 0      C-13-H3C(O)CH3
  368488.1282  0.0025 -3.6034 3  109.5868328 -5951614042015 5 1    1914 5 1      C-13-H3C(O)CH3
  368536.7730  0.0230 -5.7912 3  449.7340648  595161404402714 2    402417 2      C-13-H3C(O)CH3
  368537.7965  0.0027 -3.6077 3  109.5860328 -5951614042015 5 2    1914 5 2      C-13-H3C(O)CH3
  368559.6145  0.3703 -6.0718 3 1002.8252968  595161404603822 1    603525 1      C-13-H3C(O)CH3
  368567.6507  0.0025 -3.6038 3  109.5178328 -5951614042015 6 1    1914 6 1      C-13-H3C(O)CH3
  368592.9282  0.3004 -6.7103 3 1378.9770524  5951614046562 4 4    6561 5 4      C-13-H3C(O)CH3
  368600.6012  0.0326 -6.0460 3  454.4680648  595161404402812 1    402515 1      C-13-H3C(O)CH3
  368602.7564  0.3392 -6.4092 3 1379.0088A48  5951614046562 3 1    6561 4 1      C-13-H3C(O)CH3
  368616.2725  0.0025 -3.6084 3  109.5276328 -5951614042015 6 2    1914 6 2      C-13-H3C(O)CH3
  368638.1760  0.0030 -3.8192 3  228.9868300  59516140437 136 3    36 135 3      C-13-H3C(O)CH3
  368638.1760  0.0030 -3.9969 3  228.9868300  59516140437 236 3    36 135 3      C-13-H3C(O)CH3
  368638.1932  0.0030 -4.5880 3  228.9868300  59516140437 236 4    36 235 4      C-13-H3C(O)CH3
  368638.1932  0.0030 -4.5880 3  228.9868300  59516140437 136 4    36 135 4      C-13-H3C(O)CH3
  368638.1997  0.0030 -3.8192 3  228.9868300 -59516140437 236 3    36 235 3      C-13-H3C(O)CH3
  368638.1997  0.0030 -3.6449 3  228.9868300 -59516140437 136 4    36 235 4      C-13-H3C(O)CH3
  368638.1997  0.0030 -3.6449 3  228.9868300 -59516140437 236 4    36 135 4      C-13-H3C(O)CH3
  368638.1997  0.0030 -3.9969 3  228.9868300 -59516140437 136 3    36 235 3      C-13-H3C(O)CH3
  368640.7464  0.0214 -5.6763 3  483.0409648  5951614044033 7 1    3934 5 1      C-13-H3C(O)CH3
  368653.7999  0.0115 -4.8211 3  496.1575404  59516140450 843 4    50 644 4      C-13-H3C(O)CH3
  368653.7999  0.0115 -4.8211 3  496.1575404  59516140450 743 4    50 744 4      C-13-H3C(O)CH3
  368653.7999  0.0115 -5.9173 3  496.1575404  59516140450 843 4    50 744 4      C-13-H3C(O)CH3
  368653.7999  0.0115 -5.9173 3  496.1575404  59516140450 743 4    50 644 4      C-13-H3C(O)CH3
  368654.2006  0.0112 -6.1880 3  496.1575404  59516140450 743 3    50 644 3      C-13-H3C(O)CH3
  368654.2006  0.0112 -4.8052 3  496.1575404  59516140450 743 3    50 744 3      C-13-H3C(O)CH3
  368654.2006  0.0112 -4.8052 3  496.1575404  59516140450 843 3    50 644 3      C-13-H3C(O)CH3
  368654.2006  0.0112 -6.1880 3  496.1575404  59516140450 843 3    50 744 3      C-13-H3C(O)CH3
  368657.7601  0.0033 -3.2990 3  228.9369600  59516140437 236 1    36 135 1      C-13-H3C(O)CH3
  368657.7601  0.0033 -3.2990 3  228.9369600  59516140437 136 1    36 235 1      C-13-H3C(O)CH3
  368657.8244  0.0033 -5.6051 3  228.9369600 -59516140437 136 1    36 135 1      C-13-H3C(O)CH3
  368657.8244  0.0032 -3.6546 3  228.9365600 -59516140437 136 2    36 135 2      C-13-H3C(O)CH3
  368657.8244  0.0032 -3.6546 3  228.9365600 -59516140437 236 2    36 235 2      C-13-H3C(O)CH3
  368657.8244  0.0033 -5.6051 3  228.9369600 -59516140437 236 1    36 235 1      C-13-H3C(O)CH3
  368657.8469  0.0032 -3.5477 3  228.9365600  59516140437 136 2    36 235 2      C-13-H3C(O)CH3
  368657.8469  0.0032 -3.5477 3  228.9365600  59516140437 236 2    36 135 2      C-13-H3C(O)CH3
  368662.6840  0.2854 -6.7102 3 1378.9900524  5951614046562 4 3    6561 5 3      C-13-H3C(O)CH3
  368663.0756  0.0219 -5.6754 3  483.0444648  5951614044033 8 0    3934 5 0      C-13-H3C(O)CH3
  368663.0757  0.0219 -5.6754 3  483.0444648  5951614044033 7 0    3934 6 0      C-13-H3C(O)CH3
  368666.3833  0.0960 -6.5415 3  596.5050372  595161404463116 4    462818 4      C-13-H3C(O)CH3
  368669.7586  0.3256 -6.4090 3 1378.9831A48  5951614046562 4 2    6561 5 2      C-13-H3C(O)CH3
  368677.3491  0.0027 -5.6709 3  228.8868600 -59516140437 236 0    36 235 0      C-13-H3C(O)CH3
  368677.3491  0.0027 -5.6709 3  228.8868600 -59516140437 136 0    36 135 0      C-13-H3C(O)CH3
  368677.3754  0.0027 -3.2985 3  228.8868600  59516140437 236 0    36 135 0      C-13-H3C(O)CH3
  368677.3754  0.0027 -3.2985 3  228.8868600  59516140437 136 0    36 235 0      C-13-H3C(O)CH3
  368678.6616  0.0109 -6.1264 3   44.9893216  5951614041312 2 1    12 9 4 1      C-13-H3C(O)CH3
  368690.2894  0.0107 -6.1337 3   45.0719216  5951614041312 1 1    12 9 3 1      C-13-H3C(O)CH3
  368702.1519  0.0315 -6.2428 3 1046.3628A64  595161404662344 0    662145 0      C-13-H3C(O)CH3
  368702.1519  0.0315 -6.2428 3 1046.3628A64  595161404662244 0    662245 0      C-13-H3C(O)CH3
  368702.1519  0.0315 -5.2024 3 1046.3628A64  595161404662344 0    662245 0      C-13-H3C(O)CH3
  368702.1519  0.0315 -5.2024 3 1046.3628A64  595161404662244 0    662145 0      C-13-H3C(O)CH3
  368704.7576  0.0170 -5.6666 3  469.8039664  595161404412715 0    412418 0      C-13-H3C(O)CH3
  368739.0335  0.3581 -6.4089 3 1378.9960A48  5951614046562 3 2    6561 4 2      C-13-H3C(O)CH3
  368755.0671  0.0361 -6.3279 3 1046.3722A64  595161404662344 1    662245 1      C-13-H3C(O)CH3
  368755.0671  0.0361 -5.1952 3 1046.3722A64  595161404662344 1    662145 1      C-13-H3C(O)CH3
  368755.0671  0.0361 -6.3279 3 1046.3722A64  595161404662244 1    662145 1      C-13-H3C(O)CH3
  368755.0671  0.0361 -5.1952 3 1046.3722A64  595161404662244 1    662245 1      C-13-H3C(O)CH3
  368756.5152  0.0139 -6.6255 3   45.0447108  5951614041312 2 3    12 9 4 3      C-13-H3C(O)CH3
  368759.1523  0.0400 -5.1664 3 1046.3726A64  595161404662344 2    662145 2      C-13-H3C(O)CH3
  368759.1523  0.0400 -5.1664 3 1046.3726A64  595161404662244 2    662245 2      C-13-H3C(O)CH3
  368765.4355  0.0100 -6.0840 3   45.0171216  5951614041312 2 0    12 9 3 0      C-13-H3C(O)CH3
  368778.4374  0.0851 -6.3844 3 1460.7623612  595161404763245 4    763046 4      C-13-H3C(O)CH3
  368778.4374  0.0851 -6.6245 3 1460.7623612  595161404763245 4    763146 4      C-13-H3C(O)CH3
  368778.4374  0.0851 -6.6245 3 1460.7623612  595161404763145 4    763046 4      C-13-H3C(O)CH3
  368778.4374  0.0851 -6.3844 3 1460.7623612  595161404763145 4    763146 4      C-13-H3C(O)CH3
  368778.4609  0.0851 -6.1883 3 1460.7623612  595161404763145 3    763146 3      C-13-H3C(O)CH3
  368778.4609  0.0851 -6.1883 3 1460.7623612  595161404763245 3    763046 3      C-13-H3C(O)CH3
  368780.4850  0.0062 -5.0569 3   43.0644248  59516140415 411 2    14 312 2      C-13-H3C(O)CH3
  368780.6431  0.0062 -5.0569 3   43.0644248  59516140415 511 2    14 212 2      C-13-H3C(O)CH3
  368785.9798  0.2891 -6.7101 3 1379.0113524  5951614046562 3 3    6561 4 3      C-13-H3C(O)CH3
  368786.5895  0.0115 -5.1076 3  496.1779808 -59516140450 743 2    50 644 2      C-13-H3C(O)CH3
  368786.5895  0.0115 -5.1076 3  496.1779808 -59516140450 843 2    50 744 2      C-13-H3C(O)CH3
  368786.6041  0.0115 -4.6049 3  496.1779808  59516140450 743 2    50 744 2      C-13-H3C(O)CH3
  368786.6041  0.0115 -4.6049 3  496.1779808  59516140450 843 2    50 644 2      C-13-H3C(O)CH3
  368787.0442  0.0118 -4.9124 3  496.1783808  59516140450 843 1    50 644 1      C-13-H3C(O)CH3
  368787.0442  0.0118 -4.9124 3  496.1783808  59516140450 743 1    50 744 1      C-13-H3C(O)CH3
  368787.2668  0.0118 -4.6903 3  496.1783808 -59516140450 743 1    50 644 1      C-13-H3C(O)CH3
  368787.2668  0.0118 -4.6903 3  496.1783808 -59516140450 843 1    50 744 1      C-13-H3C(O)CH3
  368788.7256  0.0060 -5.0571 3   43.0650248  59516140415 411 1    14 312 1      C-13-H3C(O)CH3
  368788.8779  0.0060 -5.0571 3   43.0650248  59516140415 511 1    14 212 1      C-13-H3C(O)CH3
  368803.4258  0.0901 -5.9143 3 1460.7425C24  595161404763145 1    763146 1      C-13-H3C(O)CH3
  368803.4258  0.0901 -5.9143 3 1460.7425C24  595161404763245 1    763046 1      C-13-H3C(O)CH3
  368806.4164  0.0884 -5.9026 3 1460.7451C24  595161404763145 2    763046 2      C-13-H3C(O)CH3
  368806.4164  0.0884 -5.9026 3 1460.7451C24  595161404763245 2    763146 2      C-13-H3C(O)CH3
  368812.1593  0.0331 -5.5309 3 1046.3820532  595161404662344 3    662145 3      C-13-H3C(O)CH3
  368812.1593  0.0331 -5.5309 3 1046.3820532  595161404662244 3    662245 3      C-13-H3C(O)CH3
  368812.1593  0.0331 -6.3180 3 1046.3820532  595161404662344 3    662245 3      C-13-H3C(O)CH3
  368812.1593  0.0331 -6.3180 3 1046.3820532  595161404662244 3    662145 3      C-13-H3C(O)CH3
  368812.3008  0.0332 -5.6575 3 1046.3820532  595161404662244 4    662245 4      C-13-H3C(O)CH3
  368812.3008  0.0332 -5.6575 3 1046.3820532  595161404662344 4    662145 4      C-13-H3C(O)CH3
  368812.3008  0.0332 -5.9116 3 1046.3820532  595161404662244 4    662145 4      C-13-H3C(O)CH3
  368812.3008  0.0332 -5.9116 3 1046.3820532  595161404662344 4    662245 4      C-13-H3C(O)CH3
  368823.7140  0.0496 -6.5537 3  454.4398324  595161404402813 3    402515 3      C-13-H3C(O)CH3
  368831.3849  0.0926 -6.2809 3 1460.7254C24  595161404763145 0    763146 0      C-13-H3C(O)CH3
  368831.3849  0.0926 -5.8859 3 1460.7254C24  595161404763145 0    763046 0      C-13-H3C(O)CH3
  368831.3849  0.0926 -6.1096 3 1460.7254C24  595161404763245 0    763146 0      C-13-H3C(O)CH3
  368837.0356  0.0154 -4.1842 3  109.5481164  5951614042015 5 3    1914 6 3      C-13-H3C(O)CH3
  368847.0224  0.0161 -5.6733 3  469.7839664  595161404412715 1    412418 1      C-13-H3C(O)CH3
  368856.2110  0.3274 -6.7100 3 1379.0242524  5951614046562 3 4    6561 4 4      C-13-H3C(O)CH3
  368861.2604  0.0103 -6.1373 3   44.9940216  5951614041312 2 2    12 9 4 2      C-13-H3C(O)CH3
  368864.4962  0.0269 -6.0287 3  449.7142324  595161404402714 3    402417 3      C-13-H3C(O)CH3
  368869.8788  0.1232 -6.6533 3  689.7493808  595161404503020 0    493317 0      C-13-H3C(O)CH3
  368872.2001  0.0020 -3.8665 3  199.1970236 -595161404291019 4    281118 4      C-13-H3C(O)CH3
  368872.2001  0.0020 -3.8665 3  199.1970236 -595161404291019 3    281118 3      C-13-H3C(O)CH3
  368872.2001  0.0020 -3.8665 3  199.1970236 -595161404291119 4    281018 4      C-13-H3C(O)CH3
  368872.2821  0.0020 -3.8665 3  199.1970236  595161404291119 3    281018 3      C-13-H3C(O)CH3
  368897.6336  0.1581 -6.1690 3  648.1801388  595161404483216 3    482919 3      C-13-H3C(O)CH3
  368902.3422  0.0187 -5.5756 3  428.8437648  595161404402219 1    392316 1      C-13-H3C(O)CH3
  368907.0182  0.0107 -6.1444 3   45.0704216  5951614041312 1 2    12 9 3 2      C-13-H3C(O)CH3
  368909.2050  0.0142 -6.7461 3   45.0447108  5951614041312 1 3    12 9 4 3      C-13-H3C(O)CH3
  368919.2551  0.0098 -4.5608 3  496.1986808  59516140450 743 0    50 744 0      C-13-H3C(O)CH3
  368919.2551  0.0098 -4.5608 3  496.1986808  59516140450 843 0    50 644 0      C-13-H3C(O)CH3
  368919.2870  0.0098 -5.2860 3  496.1986808 -59516140450 743 0    50 644 0      C-13-H3C(O)CH3
  368919.2870  0.0098 -5.2860 3  496.1986808 -59516140450 843 0    50 744 0      C-13-H3C(O)CH3
  368920.1657  0.0240 -5.6753 3  482.9981648  5951614044033 8 1    3934 6 1      C-13-H3C(O)CH3
  368922.0191  0.0246 -5.9775 3  483.0315324  5951614044033 7 4    3934 5 4      C-13-H3C(O)CH3
  368934.4341  0.0023 -3.5655 3  199.2048472 -595161404291019 1    281118 1      C-13-H3C(O)CH3
  368934.4341  0.0023 -3.5655 3  199.2048472 -595161404291119 1    281018 1      C-13-H3C(O)CH3
  368937.9588  0.0022 -3.5656 3  199.2029472 -595161404291119 2    281018 2      C-13-H3C(O)CH3
  368937.9588  0.0022 -3.5656 3  199.2029472 -595161404291019 2    281118 2      C-13-H3C(O)CH3
  368943.8159  0.0214 -5.6755 3  483.0350648  5951614044033 7 2    3934 5 2      C-13-H3C(O)CH3
  368950.6649  0.0165 -5.5752 3  428.8647648  595161404402219 0    392316 0      C-13-H3C(O)CH3
  368985.1708  0.0124 -5.4951 3  465.9776396  59516140449 743 4    49 644 4      C-13-H3C(O)CH3
  368985.1708  0.0124 -5.4951 3  465.9776396  59516140449 643 4    49 544 4      C-13-H3C(O)CH3
  368985.1708  0.0124 -4.8829 3  465.9776396  59516140449 743 4    49 544 4      C-13-H3C(O)CH3
  368985.1708  0.0124 -4.8829 3  465.9776396  59516140449 643 4    49 644 4      C-13-H3C(O)CH3
  368985.5868  0.0120 -4.8445 3  465.9776396  59516140449 743 3    49 544 3      C-13-H3C(O)CH3
  368985.5868  0.0120 -5.7014 3  465.9776396  59516140449 643 3    49 544 3      C-13-H3C(O)CH3
  368985.5868  0.0120 -5.7014 3  465.9776396  59516140449 743 3    49 644 3      C-13-H3C(O)CH3
  368985.5868  0.0120 -4.8445 3  465.9776396  59516140449 643 3    49 644 3      C-13-H3C(O)CH3
  368994.3549  0.0541 -6.7980 3  915.3816952  595161404592831 0    583128 0      C-13-H3C(O)CH3
  368999.9808  0.0020 -3.5655 3  199.2107472 -595161404291019 0    281118 0      C-13-H3C(O)CH3
  368999.9808  0.0020 -3.5655 3  199.2107472 -595161404291119 0    281018 0      C-13-H3C(O)CH3
  369020.5338  0.0249 -5.9762 3  483.0087324  5951614044033 7 3    3934 5 3      C-13-H3C(O)CH3
  369023.3369  0.0541 -6.7979 3  915.3807952  595161404592931 0    583028 0      C-13-H3C(O)CH3
  369043.8731  0.0223 -5.6742 3  483.0121648  5951614044033 8 2    3934 6 2      C-13-H3C(O)CH3
  369045.8207  0.0565 -6.7966 3  915.3883952  595161404592831 1    583128 1      C-13-H3C(O)CH3
  369047.7573  0.0619 -6.7962 3  915.3890952  595161404592831 2    583128 2      C-13-H3C(O)CH3
  369054.2637  0.0407 -6.2826 3  547.0147712  595161404443015 1    442717 1      C-13-H3C(O)CH3
  369064.7032  0.0200 -5.6880 3  469.7787664  595161404412715 2    412418 2      C-13-H3C(O)CH3
  369071.0046  0.0204 -6.0107 3  469.7585332  595161404412715 4    412418 4      C-13-H3C(O)CH3
  369077.2302  0.0564 -6.7966 3  915.3872952  595161404592931 1    583028 1      C-13-H3C(O)CH3
  369078.7500  0.0625 -6.7961 3  915.3880952  595161404592931 2    583028 2      C-13-H3C(O)CH3
  369094.4544  0.4277 -6.4898 3 1583.5581B44  5951614047163 9 0    716210 0      C-13-H3C(O)CH3
  369094.4544  0.4277 -6.4898 3 1583.5581B44  5951614047163 8 0    7162 9 0      C-13-H3C(O)CH3
  369109.0100  0.0024 -3.5881 3  109.5427328 -5951614042015 5 0    1914 6 0      C-13-H3C(O)CH3
  369110.0976  0.0334 -6.2298 3  499.6560680  595161404422914 1    422616 1      C-13-H3C(O)CH3
  369110.2396  0.3174 -6.4898 3 1583.5414B44  5951614047163 8 2    7162 9 2      C-13-H3C(O)CH3
  369137.9031  0.0062 -5.0556 3   43.0057248  59516140415 411 0    14 312 0      C-13-H3C(O)CH3
  369138.0633  0.0062 -5.0556 3   43.0057248  59516140415 511 0    14 212 0      C-13-H3C(O)CH3
  369159.1268  0.0641 -5.9707 3  596.5369744  595161404463115 1    462818 1      C-13-H3C(O)CH3
  369161.3188  0.3185 -6.4898 3 1583.5489B44  5951614047163 8 1    7162 9 1      C-13-H3C(O)CH3
  369172.6421  0.3083 -6.4897 3 1583.5317B44  5951614047163 9 1    716210 1      C-13-H3C(O)CH3
  369177.0216  0.2873 -6.7908 3 1583.5322572  5951614047163 8 4    7162 9 4      C-13-H3C(O)CH3
  369179.5684  0.0110 -5.2066 3  465.9905792 -59516140449 643 2    49 544 2      C-13-H3C(O)CH3
  369179.5684  0.0110 -5.2066 3  465.9905792 -59516140449 743 2    49 644 2      C-13-H3C(O)CH3
  369179.5767  0.0110 -4.5781 3  465.9905792  59516140449 643 2    49 644 2      C-13-H3C(O)CH3
  369179.5767  0.0110 -4.5781 3  465.9905792  59516140449 743 2    49 544 2      C-13-H3C(O)CH3
  369179.9354  0.0116 -5.0130 3  465.9910792  59516140449 743 1    49 544 1      C-13-H3C(O)CH3
  369179.9354  0.0116 -5.0130 3  465.9910792  59516140449 643 1    49 644 1      C-13-H3C(O)CH3
  369179.9354  0.0116 -4.6398 3  465.9910792  59516140449 643 1    49 544 1      C-13-H3C(O)CH3
  369179.9354  0.0116 -4.6398 3  465.9910792  59516140449 743 1    49 644 1      C-13-H3C(O)CH3
  369188.3744  0.0411 -5.8164 3  547.0343712  595161404443014 0    442717 0      C-13-H3C(O)CH3
  369188.7584  0.2359 -6.7907 3 1583.5150572  5951614047163 9 3    716210 3      C-13-H3C(O)CH3
  369199.6237  0.0256 -5.9764 3  482.9887324  5951614044033 8 3    3934 6 3      C-13-H3C(O)CH3
  369209.2290  0.0265 -5.8725 3  428.8060324  595161404402219 4    392316 4      C-13-H3C(O)CH3
  369215.8459  0.0269 -5.8725 3  428.8058324  595161404402219 3    392316 3      C-13-H3C(O)CH3
  369221.1801  0.0539 -6.3179 3  454.4398324  595161404402812 3    402515 3      C-13-H3C(O)CH3
  369242.0815  0.3086 -6.4896 3 1583.5245B44  5951614047163 9 2    716210 2      C-13-H3C(O)CH3
  369265.1135  0.0246 -5.5709 3  428.8268648  595161404402219 2    392316 2      C-13-H3C(O)CH3
  369271.8109  0.3546 -6.4671 3 1348.6227A32  5951614046462 3 1    6461 4 1      C-13-H3C(O)CH3
  369276.6515  0.0092 -6.6142 3  279.5968260  595161404322013 3    312111 3      C-13-H3C(O)CH3
  369288.6082  0.0112 -6.5592 3  279.5963260  595161404322013 4    312111 4      C-13-H3C(O)CH3
  369291.0412  0.0144 -4.8090 3  436.3897388  59516140448 543 4    48 544 4      C-13-H3C(O)CH3
  369291.0412  0.0144 -6.5832 3  436.3897388  59516140448 643 4    48 544 4      C-13-H3C(O)CH3
  369291.0412  0.0144 -4.8090 3  436.3897388  59516140448 643 4    48 444 4      C-13-H3C(O)CH3
  369291.0412  0.0144 -6.5832 3  436.3897388  59516140448 543 4    48 444 4      C-13-H3C(O)CH3
  369291.4174  0.0138 -5.5833 3  436.3897388  59516140448 543 3    48 444 3      C-13-H3C(O)CH3
  369291.4174  0.0138 -5.5833 3  436.3897388  59516140448 643 3    48 544 3      C-13-H3C(O)CH3
  369291.4174  0.0138 -4.8803 3  436.3897388  59516140448 643 3    48 444 3      C-13-H3C(O)CH3
  369291.4174  0.0138 -4.8803 3  436.3897388  59516140448 543 3    48 544 3      C-13-H3C(O)CH3
  369297.9848  0.0277 -5.9751 3  482.9658324  5951614044033 8 4    3934 6 4      C-13-H3C(O)CH3
  369308.7566  0.2630 -6.7906 3 1583.5153572  5951614047163 8 3    7162 9 3      C-13-H3C(O)CH3
  369315.5842  0.0318 -5.8134 3  499.6748680  595161404422913 0    422616 0      C-13-H3C(O)CH3
  369319.7216  0.2438 -6.7905 3 1583.4981572  5951614047163 9 4    716210 4      C-13-H3C(O)CH3
  369350.7004  0.0216 -6.7122 3  449.7389648  595161404402713 1    402417 1      C-13-H3C(O)CH3
  369353.3443  0.0076 -6.2954 3  279.6166520  595161404322013 1    312111 1      C-13-H3C(O)CH3
  369358.0726  0.0230 -5.9732 3  469.7586332  595161404412715 3    412418 3      C-13-H3C(O)CH3
  369373.6200  0.0100 -6.3418 3  466.0039792  59516140449 743 0    49 544 0      C-13-H3C(O)CH3
  369373.6200  0.0100 -6.3418 3  466.0039792  59516140449 643 0    49 644 0      C-13-H3C(O)CH3
  369373.6750  0.0100 -4.4920 3  466.0039792 -59516140449 743 0    49 644 0      C-13-H3C(O)CH3
  369373.6750  0.0100 -4.4920 3  466.0039792 -59516140449 643 0    49 544 0      C-13-H3C(O)CH3
  369392.0500  0.4552 -6.4669 3 1348.6261A32  5951614046462 2 0    6461 4 0      C-13-H3C(O)CH3
  369392.0500  0.4552 -6.4669 3 1348.6261A32  5951614046462 3 0    6461 3 0      C-13-H3C(O)CH3
  369401.3050  0.0079 -6.6698 3   38.0759108  59516140413 8 5 3    12 5 8 3      C-13-H3C(O)CH3
  369442.9065  0.3177 -6.7681 3 1348.6343516  5951614046462 3 4    6461 4 4      C-13-H3C(O)CH3
  369444.0280  0.0490 -6.0609 3  454.4585648  595161404402812 2    402515 2      C-13-H3C(O)CH3
  369453.5937  0.0295 -5.6278 3 1006.8386A48  595161404652144 0    652045 0      C-13-H3C(O)CH3
  369453.5937  0.0295 -5.2252 3 1006.8386A48  595161404652144 0    652145 0      C-13-H3C(O)CH3
  369453.5937  0.0295 -5.2519 3 1006.8386A48  595161404652244 0    652045 0      C-13-H3C(O)CH3
  369453.5937  0.0295 -5.6987 3 1006.8386A48  595161404652244 0    652145 0      C-13-H3C(O)CH3
  369455.0053  0.0561 -6.4861 3  499.6266340  595161404422914 4    422616 4      C-13-H3C(O)CH3
  369459.4934  0.0106 -6.6710 3   38.0760108  59516140413 8 5 4    12 5 8 4      C-13-H3C(O)CH3
  369505.3843  0.3636 -6.4669 3 1348.6621A32  5951614046462 2 1    6461 3 1      C-13-H3C(O)CH3
  369516.5488  0.0343 -5.6504 3 1006.8446A48  595161404652244 1    652145 1      C-13-H3C(O)CH3
  369516.5488  0.0343 -5.2424 3 1006.8446A48  595161404652244 1    652045 1      C-13-H3C(O)CH3
  369516.5488  0.0343 -5.2424 3 1006.8446A48  595161404652144 1    652145 1      C-13-H3C(O)CH3
  369516.5488  0.0343 -5.6504 3 1006.8446A48  595161404652144 1    652045 1      C-13-H3C(O)CH3
  369520.2029  0.0375 -5.5187 3 1006.8449A48  595161404652144 2    652045 2      C-13-H3C(O)CH3
  369520.2029  0.0375 -5.3072 3 1006.8449A48  595161404652144 2    652145 2      C-13-H3C(O)CH3
  369520.2029  0.0375 -5.3072 3 1006.8449A48  595161404652244 2    652045 2      C-13-H3C(O)CH3
  369520.2029  0.0375 -5.5187 3 1006.8449A48  595161404652244 2    652145 2      C-13-H3C(O)CH3
  369522.0317  0.0705 -6.2377 3  547.0029712  595161404443015 2    442717 2      C-13-H3C(O)CH3
  369533.6974  0.0081 -6.3605 3   38.0218216  59516140413 8 5 2    12 5 8 2      C-13-H3C(O)CH3
  369536.3918  0.4070 -6.3731 3 1002.8135484  595161404603822 3    603525 3      C-13-H3C(O)CH3
  369538.8579  0.0732 -6.5050 3  546.9838356  595161404443015 4    442717 4      C-13-H3C(O)CH3
  369556.6920  0.0116 -6.5623 3  436.3927776  59516140448 543 2    48 544 2      C-13-H3C(O)CH3
  369556.6920  0.0116 -4.5037 3  436.3927776  59516140448 543 2    48 444 2      C-13-H3C(O)CH3
  369556.6920  0.0116 -4.5037 3  436.3927776  59516140448 643 2    48 544 2      C-13-H3C(O)CH3
  369556.6920  0.0116 -6.5623 3  436.3927776  59516140448 643 2    48 444 2      C-13-H3C(O)CH3
  369556.9868  0.0127 -4.6303 3  436.3932776  59516140448 643 1    48 544 1      C-13-H3C(O)CH3
  369556.9868  0.0127 -5.0863 3  436.3932776  59516140448 543 1    48 544 1      C-13-H3C(O)CH3
  369556.9868  0.0127 -4.6303 3  436.3932776  59516140448 543 1    48 444 1      C-13-H3C(O)CH3
  369556.9868  0.0127 -5.0863 3  436.3932776  59516140448 643 1    48 444 1      C-13-H3C(O)CH3
  369563.6198  0.3449 -6.4668 3 1348.6377A32  5951614046462 3 2    6461 4 2      C-13-H3C(O)CH3
  369571.8454  0.0176 -4.9147 3  407.3949380  59516140447 543 4    47 344 4      C-13-H3C(O)CH3
  369571.8454  0.0176 -6.0301 3  407.3949380  59516140447 543 4    47 444 4      C-13-H3C(O)CH3
  369571.8454  0.0176 -4.8630 3  407.3949380  59516140447 443 4    47 444 4      C-13-H3C(O)CH3
  369571.8454  0.0176 -5.6069 3  407.3949380  59516140447 443 4    47 344 4      C-13-H3C(O)CH3
  369572.1007  0.0168 -6.7377 3  407.3949380  59516140447 543 3    47 344 3      C-13-H3C(O)CH3
  369572.1007  0.0168 -4.8398 3  407.3949380  59516140447 443 3    47 344 3      C-13-H3C(O)CH3
  369572.1007  0.0168 -6.7377 3  407.3949380  59516140447 443 3    47 444 3      C-13-H3C(O)CH3
  369572.1007  0.0168 -4.8398 3  407.3949380  59516140447 543 3    47 444 3      C-13-H3C(O)CH3
  369579.7384  0.3062 -6.7679 3 1348.6478516  5951614046462 3 3    6461 4 3      C-13-H3C(O)CH3
  369582.4577  0.0522 -6.2016 3  499.6450680  595161404422914 2    422616 2      C-13-H3C(O)CH3
  369583.2570  0.0305 -5.5587 3 1006.8510524  595161404652244 3    652145 3      C-13-H3C(O)CH3
  369583.2570  0.0305 -5.9141 3 1006.8510524  595161404652144 3    652145 3      C-13-H3C(O)CH3
  369583.2570  0.0305 -5.5587 3 1006.8510524  595161404652144 3    652045 3      C-13-H3C(O)CH3
  369583.2570  0.0305 -5.9141 3 1006.8510524  595161404652244 3    652045 3      C-13-H3C(O)CH3
  369583.4128  0.0306 -6.4028 3 1006.8510524  595161404652244 4    652045 4      C-13-H3C(O)CH3
  369583.4128  0.0306 -6.4028 3 1006.8510524  595161404652144 4    652145 4      C-13-H3C(O)CH3
  369583.4128  0.0306 -5.4454 3 1006.8510524  595161404652244 4    652145 4      C-13-H3C(O)CH3
  369583.4128  0.0306 -5.4454 3 1006.8510524  595161404652144 4    652045 4      C-13-H3C(O)CH3
  369612.9285  0.1092 -6.5584 3  581.2937372  595161404462719 3    453016 3      C-13-H3C(O)CH3
  369657.3256  0.0081 -6.3640 3   38.0227216  59516140413 8 5 1    12 5 8 1      C-13-H3C(O)CH3
  369663.5235  0.3409 -6.7210 3 1769.5432C24  595161404766412 2    766313 2      C-13-H3C(O)CH3
  369677.2751  0.3045 -6.7678 3 1348.6737516  5951614046462 2 3    6461 3 3      C-13-H3C(O)CH3
  369678.9789  0.4764 -6.3805 3 1002.8137484  595161404603822 4    603525 4      C-13-H3C(O)CH3
  369700.4666  0.3855 -6.4666 3 1348.6510A32  5951614046462 2 2    6461 3 2      C-13-H3C(O)CH3
  369747.2987  0.3540 -6.7209 3 1769.5403C24  595161404766412 1    766313 1      C-13-H3C(O)CH3
  369752.1829  0.0021 -3.8238 3  206.0863244 -595161404301021 4    29 920 4      C-13-H3C(O)CH3
  369752.1829  0.0021 -3.8238 3  206.0863244 -595161404301021 3    29 920 3      C-13-H3C(O)CH3
  369752.1829  0.0021 -3.8238 3  206.0863244 -59516140430 921 4    291020 4      C-13-H3C(O)CH3
  369752.1829  0.0021 -3.8238 3  206.0863244 -59516140430 921 3    291020 3      C-13-H3C(O)CH3
  369753.1132  0.0041 -3.5840 3  230.9133308 -59516140438 038 3    37 137 3      C-13-H3C(O)CH3
  369753.1132  0.0041 -3.5840 3  230.9133308 -59516140438 138 3    37 037 3      C-13-H3C(O)CH3
  369753.1132  0.0041 -5.8004 3  230.9133308 -59516140438 038 4    37 137 4      C-13-H3C(O)CH3
  369753.1132  0.0041 -5.8004 3  230.9133308 -59516140438 138 4    37 037 4      C-13-H3C(O)CH3
  369753.1206  0.0041 -3.5754 3  230.9133308  59516140438 138 4    37 137 4      C-13-H3C(O)CH3
  369753.1206  0.0041 -3.5754 3  230.9133308  59516140438 038 4    37 037 4      C-13-H3C(O)CH3
  369753.1266  0.0041 -5.1654 3  230.9133308  59516140438 038 3    37 037 3      C-13-H3C(O)CH3
  369753.1266  0.0041 -5.1654 3  230.9133308  59516140438 138 3    37 137 3      C-13-H3C(O)CH3
  369754.8089  0.4851 -6.7209 3 1769.5709C24  595161404766413 0    766313 0      C-13-H3C(O)CH3
  369754.8089  0.4851 -6.7209 3 1769.5709C24  595161404766412 0    766314 0      C-13-H3C(O)CH3
  369758.0823  0.0049 -3.8234 3  230.8455616  59516140438 138 1    37 037 1      C-13-H3C(O)CH3
  369758.0823  0.0049 -3.8234 3  230.8455616  59516140438 038 1    37 137 1      C-13-H3C(O)CH3
  369758.1941  0.0049 -3.4147 3  230.8455616 -59516140438 138 1    37 137 1      C-13-H3C(O)CH3
  369758.1941  0.0049 -3.4147 3  230.8455616 -59516140438 038 1    37 037 1      C-13-H3C(O)CH3
  369758.1941  0.0046 -3.2975 3  230.8451616 -59516140438 038 2    37 037 2      C-13-H3C(O)CH3
  369758.1941  0.0046 -4.5095 3  230.8451616 -59516140438 138 2    37 037 2      C-13-H3C(O)CH3
  369758.2243  0.0046 -4.5095 3  230.8451616  59516140438 038 2    37 137 2      C-13-H3C(O)CH3
  369758.2243  0.0046 -3.2975 3  230.8451616  59516140438 138 2    37 137 2      C-13-H3C(O)CH3
  369762.2167  0.0079 -6.3551 3   37.9687216  59516140413 8 5 0    12 5 8 0      C-13-H3C(O)CH3
  369763.1613  0.0041 -4.5192 3  230.7775616  59516140438 138 0    37 037 0      C-13-H3C(O)CH3
  369763.1613  0.0041 -4.5192 3  230.7775616  59516140438 038 0    37 137 0      C-13-H3C(O)CH3
  369763.2299  0.0041 -3.2967 3  230.7775616 -59516140438 038 0    37 037 0      C-13-H3C(O)CH3
  369763.2299  0.0041 -3.2967 3  230.7775616 -59516140438 138 0    37 137 0      C-13-H3C(O)CH3
  369782.2170  0.1749 -6.7767 3 1780.8669668  595161404833846 4    833747 4      C-13-H3C(O)CH3
  369782.2170  0.1749 -6.7767 3 1780.8669668  595161404833746 4    833647 4      C-13-H3C(O)CH3
  369782.2945  0.1750 -6.7767 3 1780.8669668  595161404833846 3    833747 3      C-13-H3C(O)CH3
  369782.2945  0.1750 -6.7768 3 1780.8669668  595161404833746 3    833647 3      C-13-H3C(O)CH3
  369797.2966  0.0182 -6.8032 3  218.7811220  5951614042723 5 3    2720 7 3      C-13-H3C(O)CH3
  369803.6400  0.1807 -6.3275 3  648.1809388  595161404483216 4    482919 4      C-13-H3C(O)CH3
  369810.5758  0.0024 -3.5227 3  206.0929488 -595161404301021 1    29 920 1      C-13-H3C(O)CH3
  369810.5758  0.0024 -3.5227 3  206.0929488 -59516140430 921 1    291020 1      C-13-H3C(O)CH3
  369811.3424  0.0555 -6.3660 3  454.4403324  595161404402812 4    402515 4      C-13-H3C(O)CH3
  369812.8941  0.0024 -3.5228 3  206.0914488 -595161404301021 2    29 920 2      C-13-H3C(O)CH3
  369812.8941  0.0024 -3.5228 3  206.0914488 -59516140430 921 2    291020 2      C-13-H3C(O)CH3
  369815.2825  0.3495 -6.7676 3 1348.6870516  5951614046462 2 4    6461 3 4      C-13-H3C(O)CH3
  369818.0844  0.1940 -6.4772 3 1780.8633D36  595161404833746 2    833647 2      C-13-H3C(O)CH3
  369818.0844  0.1940 -6.4772 3 1780.8633D36  595161404833846 2    833747 2      C-13-H3C(O)CH3
  369820.8787  0.0021 -4.0716 3  174.8066212  595161404261413 4    251312 4      C-13-H3C(O)CH3
  369821.6366  0.2135 -6.4759 3 1780.8602D36  595161404833746 1    833647 1      C-13-H3C(O)CH3
  369821.6366  0.2135 -6.4760 3 1780.8602D36  595161404833846 1    833747 1      C-13-H3C(O)CH3
  369821.8085  0.0108 -4.6348 3  436.3962776  59516140448 543 0    48 444 0      C-13-H3C(O)CH3
  369821.8085  0.0108 -5.0706 3  436.3962776  59516140448 543 0    48 544 0      C-13-H3C(O)CH3
  369821.8085  0.0108 -4.6348 3  436.3962776  59516140448 643 0    48 544 0      C-13-H3C(O)CH3
  369821.8085  0.0108 -5.0706 3  436.3962776  59516140448 643 0    48 444 0      C-13-H3C(O)CH3
  369826.5938  0.0024 -4.0716 3  174.8064212  595161404261413 3    251312 3      C-13-H3C(O)CH3
  369828.0318  0.0222 -4.8982 3  378.9941372  59516140446 443 4    46 244 4      C-13-H3C(O)CH3
  369828.0318  0.0222 -4.8982 3  378.9941372  59516140446 343 4    46 344 4      C-13-H3C(O)CH3
  369828.0533  0.0213 -4.8962 3  378.9941372  59516140446 343 3    46 344 3      C-13-H3C(O)CH3
  369828.0533  0.0213 -4.8962 3  378.9941372  59516140446 443 3    46 244 3      C-13-H3C(O)CH3
  369838.1398  0.3663 -6.7207 3 1769.5255C24  595161404766413 2    766314 2      C-13-H3C(O)CH3
  369857.3615  0.2166 -6.4754 3 1780.8566D36  595161404833746 0    833647 0      C-13-H3C(O)CH3
  369857.3615  0.2166 -6.4763 3 1780.8566D36  595161404833846 0    833747 0      C-13-H3C(O)CH3
  369871.0479  0.0021 -3.5228 3  206.0981488 -59516140430 921 0    291020 0      C-13-H3C(O)CH3
  369871.0479  0.0021 -3.5228 3  206.0981488 -595161404301021 0    29 920 0      C-13-H3C(O)CH3
  369891.6843  0.3556 -6.7207 3 1769.5302C24  595161404766413 1    766314 1      C-13-H3C(O)CH3
  369903.3104  0.0761 -6.2327 3 1415.5095604  595161404753145 4    753046 4      C-13-H3C(O)CH3
  369903.3104  0.0761 -6.2327 3 1415.5095604  595161404753045 4    752946 4      C-13-H3C(O)CH3
  369903.3104  0.0761 -6.6941 3 1415.5095604  595161404753145 4    752946 4      C-13-H3C(O)CH3
  369903.3104  0.0761 -6.6941 3 1415.5095604  595161404753045 4    753046 4      C-13-H3C(O)CH3
  369903.3196  0.0761 -6.1153 3 1415.5095604  595161404753045 3    753046 3      C-13-H3C(O)CH3
  369903.3196  0.0761 -6.1153 3 1415.5095604  595161404753145 3    752946 3      C-13-H3C(O)CH3
  369904.7144  0.0394 -6.0232 3  499.6560680  595161404422913 1    422616 1      C-13-H3C(O)CH3
  369914.9834  0.0025 -3.7706 3  174.8124424 -595161404261413 1    251312 1      C-13-H3C(O)CH3
  369918.9009  0.0149 -4.5412 3  407.3852760  59516140447 543 2    47 344 2      C-13-H3C(O)CH3
  369918.9009  0.0149 -4.5412 3  407.3852760  59516140447 443 2    47 444 2      C-13-H3C(O)CH3
  369918.9009  0.0149 -6.2223 3  407.3852760  59516140447 543 2    47 444 2      C-13-H3C(O)CH3
  369918.9009  0.0149 -6.2223 3  407.3852760  59516140447 443 2    47 344 2      C-13-H3C(O)CH3
  369919.1823  0.0166 -5.7626 3  407.3856760  59516140447 543 1    47 344 1      C-13-H3C(O)CH3
  369919.1823  0.0166 -4.5587 3  407.3856760  59516140447 443 1    47 344 1      C-13-H3C(O)CH3
  369919.1823  0.0166 -5.7626 3  407.3856760  59516140447 443 1    47 444 1      C-13-H3C(O)CH3
  369919.1823  0.0166 -4.5587 3  407.3856760  59516140447 543 1    47 444 1      C-13-H3C(O)CH3
  369919.4277  0.0341 -6.3901 3  449.7340648  595161404402713 2    402417 2      C-13-H3C(O)CH3
  369922.4613  0.0774 -5.9399 3 1415.4887C08  595161404753045 1    753046 1      C-13-H3C(O)CH3
  369922.4613  0.0774 -5.9399 3 1415.4887C08  595161404753145 1    752946 1      C-13-H3C(O)CH3
  369922.4613  0.0774 -6.3700 3 1415.4887C08  595161404753045 1    752946 1      C-13-H3C(O)CH3
  369922.4613  0.0774 -6.3700 3 1415.4887C08  595161404753145 1    753046 1      C-13-H3C(O)CH3
  369925.7831  0.0230 -6.8043 3  218.8078220  5951614042723 4 4    2720 7 4      C-13-H3C(O)CH3
  369926.1265  0.0780 -5.8612 3 1415.4912C08  595161404753145 2    752946 2      C-13-H3C(O)CH3
  369926.1265  0.0780 -6.7019 3 1415.4912C08  595161404753145 2    753046 2      C-13-H3C(O)CH3
  369926.1265  0.0780 -5.8612 3 1415.4912C08  595161404753045 2    753046 2      C-13-H3C(O)CH3
  369926.1265  0.0780 -6.7019 3 1415.4912C08  595161404753045 2    752946 2      C-13-H3C(O)CH3
  369945.2827  0.0797 -5.8135 3 1415.4705C08  595161404753145 0    753046 0      C-13-H3C(O)CH3
  369945.2827  0.0797 -5.8135 3 1415.4705C08  595161404753045 0    752946 0      C-13-H3C(O)CH3
  369971.4876  0.0024 -3.7710 3  174.8061424 -595161404261413 2    251312 2      C-13-H3C(O)CH3
  369988.0445  0.1249 -6.0036 3  596.5250744  595161404463115 2    462818 2      C-13-H3C(O)CH3
  370010.0237  0.0491 -5.9986 3  547.0147712  595161404443014 1    442717 1      C-13-H3C(O)CH3
  370059.7078  0.0274 -5.0103 3  351.1882364  59516140445 343 3    45 144 3      C-13-H3C(O)CH3
  370059.7078  0.0274 -5.0103 3  351.1882364  59516140445 243 3    45 244 3      C-13-H3C(O)CH3
  370060.0725  0.0283 -6.1995 3  351.1883364  59516140445 343 4    45 144 4      C-13-H3C(O)CH3
  370060.0725  0.0283 -6.1995 3  351.1883364  59516140445 243 4    45 244 4      C-13-H3C(O)CH3
  370060.0725  0.0283 -5.0393 3  351.1883364  59516140445 243 4    45 144 4      C-13-H3C(O)CH3
  370060.0725  0.0283 -5.0393 3  351.1883364  59516140445 343 4    45 244 4      C-13-H3C(O)CH3
  370061.4737  0.0023 -3.7711 3  174.8121424 -595161404261413 0    251312 0      C-13-H3C(O)CH3
  370086.6319  0.3793 -6.5771 3 1318.7612A16  5951614046362 2 1    6361 3 1      C-13-H3C(O)CH3
  370142.2224  0.0197 -6.7967 3  218.7430220  5951614042723 5 4    2720 8 4      C-13-H3C(O)CH3
  370171.9908  0.0275 -5.4787 3  967.8905A32  595161404642144 0    642045 0      C-13-H3C(O)CH3
  370171.9908  0.0275 -5.2309 3  967.8905A32  595161404642144 0    641945 0      C-13-H3C(O)CH3
  370171.9908  0.0275 -5.4787 3  967.8905A32  595161404642044 0    641945 0      C-13-H3C(O)CH3
  370171.9908  0.0275 -5.2309 3  967.8905A32  595161404642044 0    642045 0      C-13-H3C(O)CH3
  370240.0552  0.0635 -6.6350 3  499.6259340  595161404422914 3    422616 3      C-13-H3C(O)CH3
  370243.6890  0.1223 -6.1869 3  596.5042372  595161404463115 3    462818 3      C-13-H3C(O)CH3
  370244.1825  0.0323 -5.0868 3  967.8928A32  595161404642144 1    641945 1      C-13-H3C(O)CH3
  370244.1825  0.0323 -5.9943 3  967.8928A32  595161404642144 1    642045 1      C-13-H3C(O)CH3
  370244.1825  0.0323 -5.0868 3  967.8928A32  595161404642044 1    642045 1      C-13-H3C(O)CH3
  370244.1825  0.0323 -5.9943 3  967.8928A32  595161404642044 1    641945 1      C-13-H3C(O)CH3
  370247.3539  0.0347 -6.5320 3  967.8930A32  595161404642044 2    642045 2      C-13-H3C(O)CH3
  370247.3539  0.0347 -5.0502 3  967.8930A32  595161404642044 2    641945 2      C-13-H3C(O)CH3
  370247.3539  0.0347 -5.0502 3  967.8930A32  595161404642144 2    642045 2      C-13-H3C(O)CH3
  370247.3539  0.0347 -6.5320 3  967.8930A32  595161404642144 2    641945 2      C-13-H3C(O)CH3
  370251.1861  0.4310 -6.4675 3 1550.2731B28  5951614047063 8 0    7062 9 0      C-13-H3C(O)CH3
  370251.1861  0.4310 -6.4675 3 1550.2731B28  5951614047063 7 0    7062 8 0      C-13-H3C(O)CH3
  370254.3452  0.4859 -6.5767 3 1318.7625A16  5951614046362 2 0    6361 3 0      C-13-H3C(O)CH3
  370254.3452  0.4859 -6.5767 3 1318.7625A16  5951614046362 1 0    6361 2 0      C-13-H3C(O)CH3
  370264.6133  0.0095 -6.0834 3   44.9671216  5951614041312 1 0    12 9 4 0      C-13-H3C(O)CH3
  370265.3367  0.0139 -4.5324 3  407.3760760  59516140447 543 0    47 444 0      C-13-H3C(O)CH3
  370265.3367  0.0139 -4.5324 3  407.3760760  59516140447 443 0    47 344 0      C-13-H3C(O)CH3
  370267.1093  0.0220 -5.4567 3  378.9686744  59516140446 443 2    46 244 2      C-13-H3C(O)CH3
  370267.1093  0.0220 -5.4567 3  378.9686744  59516140446 343 2    46 344 2      C-13-H3C(O)CH3
  370267.2283  0.0220 -4.6578 3  378.9686744 -59516140446 443 2    46 344 2      C-13-H3C(O)CH3
  370267.2283  0.0240 -4.6262 3  378.9691744 -59516140446 343 1    46 344 1      C-13-H3C(O)CH3
  370267.2283  0.0220 -4.6578 3  378.9686744 -59516140446 343 2    46 244 2      C-13-H3C(O)CH3
  370267.2283  0.0240 -4.6262 3  378.9691744 -59516140446 443 1    46 244 1      C-13-H3C(O)CH3
  370267.4652  0.0240 -5.7381 3  378.9691744  59516140446 343 1    46 244 1      C-13-H3C(O)CH3
  370267.4652  0.0240 -5.7381 3  378.9691744  59516140446 443 1    46 344 1      C-13-H3C(O)CH3
  370267.5212  0.0355 -6.7712 3  323.9783356  59516140444 143 3    44 044 3      C-13-H3C(O)CH3
  370267.5212  0.0355 -6.7712 3  323.9783356  59516140444 243 3    44 144 3      C-13-H3C(O)CH3
  370267.5212  0.0355 -5.2637 3  323.9783356  59516140444 243 3    44 044 3      C-13-H3C(O)CH3
  370267.5212  0.0355 -5.2637 3  323.9783356  59516140444 143 3    44 144 3      C-13-H3C(O)CH3
  370268.4721  0.0363 -5.8889 3  323.9783356  59516140444 143 4    44 044 4      C-13-H3C(O)CH3
  370268.4721  0.0363 -5.3639 3  323.9783356  59516140444 243 4    44 044 4      C-13-H3C(O)CH3
  370268.4721  0.0363 -5.3639 3  323.9783356  59516140444 143 4    44 144 4      C-13-H3C(O)CH3
  370268.4721  0.0363 -5.8889 3  323.9783356  59516140444 243 4    44 144 4      C-13-H3C(O)CH3
  370269.1267  0.0187 -6.8042 3  218.7697220  5951614042723 4 3    2720 8 3      C-13-H3C(O)CH3
  370290.6287  0.0157 -4.9669 3  109.5276328  5951614042015 5 2    1914 6 2      C-13-H3C(O)CH3
  370299.6301  0.0072 -4.2140 3  104.9287164  5951614042013 7 3    1912 8 3      C-13-H3C(O)CH3
  370300.2772  0.0058 -3.9113 3  104.9109328  5951614042013 7 2    1912 8 2      C-13-H3C(O)CH3
  370302.9194  0.0414 -6.5504 3  449.7140324  595161404402713 4    402417 4      C-13-H3C(O)CH3
  370304.6645  0.3150 -6.4674 3 1550.2506B28  5951614047063 8 1    7062 9 1      C-13-H3C(O)CH3
  370309.7543  0.3268 -6.4674 3 1550.2602B28  5951614047063 7 2    7062 8 2      C-13-H3C(O)CH3
  370319.6512  0.0282 -5.3402 3  967.8953516  595161404642044 3    642045 3      C-13-H3C(O)CH3
  370319.6512  0.0282 -5.3402 3  967.8953516  595161404642144 3    641945 3      C-13-H3C(O)CH3
  370319.8176  0.0283 -5.5391 3  967.8953516  595161404642144 4    642045 4      C-13-H3C(O)CH3
  370319.8176  0.0283 -5.7663 3  967.8953516  595161404642044 4    642045 4      C-13-H3C(O)CH3
  370319.8176  0.0283 -5.7663 3  967.8953516  595161404642144 4    641945 4      C-13-H3C(O)CH3
  370319.8176  0.0283 -5.5391 3  967.8953516  595161404642044 4    641945 4      C-13-H3C(O)CH3
  370333.4508  0.0106 -5.1090 3  329.2976568  595161404352016 1    342113 1      C-13-H3C(O)CH3
  370333.4514  0.3243 -6.4674 3 1550.2699B28  5951614047063 7 1    7062 8 1      C-13-H3C(O)CH3
  370340.3810  0.0045 -3.9074 3  104.8962328 -5951614042013 7 0    1912 8 0      C-13-H3C(O)CH3
  370359.9189  0.3919 -6.5768 3 1318.8063A16  5951614046362 1 1    6361 2 1      C-13-H3C(O)CH3
  370361.1840  0.0144 -5.4075 3  329.2691284  595161404352016 3    342113 3      C-13-H3C(O)CH3
  370363.5687  0.2474 -6.7684 3 1550.2377564  5951614047063 8 3    7062 9 3      C-13-H3C(O)CH3
  370374.6107  0.0176 -6.5011 3  218.8151440  5951614042723 4 1    2720 7 1      C-13-H3C(O)CH3
  370377.9740  0.0124 -5.4072 3  329.2685284  595161404352016 4    342113 4      C-13-H3C(O)CH3
  370392.1094  0.3009 -6.7684 3 1550.2569564  5951614047063 7 4    7062 8 4      C-13-H3C(O)CH3
  370404.8255  0.0992 -6.6982 3  581.2676372  595161404462719 4    453016 4      C-13-H3C(O)CH3
  370405.6141  0.3662 -6.5767 3 1318.7835A16  5951614046362 2 2    6361 3 2      C-13-H3C(O)CH3
  370413.2959  0.3120 -6.4673 3 1550.2448B28  5951614047063 8 2    7062 9 2      C-13-H3C(O)CH3
  370434.9932  0.0056 -3.9148 3  104.9127328  5951614042013 7 1    1912 8 1      C-13-H3C(O)CH3
  370440.8166  0.0828 -6.7859 3  546.9831356  595161404443015 3    442717 3      C-13-H3C(O)CH3
  370466.1503  0.2548 -6.7682 3 1550.2223564  5951614047063 8 4    7062 9 4      C-13-H3C(O)CH3
  370493.4682  0.0073 -4.2252 3  104.9263164  5951614042013 7 4    1912 8 4      C-13-H3C(O)CH3
  370495.4088  0.2699 -6.7683 3 1550.2416564  5951614047063 7 3    7062 8 3      C-13-H3C(O)CH3
  370543.3890  0.0071 -6.3318 3  204.0029228  595161404281414 3    281117 3      C-13-H3C(O)CH3
  370544.7317  0.0084 -6.3319 3  204.0030228  595161404281414 4    281117 4      C-13-H3C(O)CH3
  370545.7552  0.0088 -5.1059 3  329.3122568  595161404352016 0    342113 0      C-13-H3C(O)CH3
  370558.4756  0.0155 -5.1004 3  109.5178328  5951614042015 5 1    1914 6 1      C-13-H3C(O)CH3
  370579.8408  0.0217 -5.1367 3  323.0206552  595161404342312 2    3324 9 2      C-13-H3C(O)CH3
  370583.8857  0.0108 -5.1032 3  329.2834568  595161404352016 2    342113 2      C-13-H3C(O)CH3
  370593.1923  0.1014 -6.3363 3  581.2842744  595161404462719 2    453016 2      C-13-H3C(O)CH3
  370602.1765  0.0330 -6.5609 3  351.1438728  59516140445 243 2    45 144 2      C-13-H3C(O)CH3
  370602.1765  0.0330 -4.7136 3  351.1438728  59516140445 343 2    45 144 2      C-13-H3C(O)CH3
  370602.1765  0.0330 -4.7136 3  351.1438728  59516140445 243 2    45 244 2      C-13-H3C(O)CH3
  370602.1765  0.0330 -6.5609 3  351.1438728  59516140445 343 2    45 244 2      C-13-H3C(O)CH3
  370602.7366  0.0351 -5.6080 3  351.1442728  59516140445 343 1    45 144 1      C-13-H3C(O)CH3
  370602.7366  0.0351 -4.7660 3  351.1442728  59516140445 343 1    45 244 1      C-13-H3C(O)CH3
  370602.7366  0.0351 -5.6080 3  351.1442728  59516140445 243 1    45 244 1      C-13-H3C(O)CH3
  370602.7366  0.0351 -4.7660 3  351.1442728  59516140445 243 1    45 144 1      C-13-H3C(O)CH3
  370607.5477  0.0069 -6.0294 3  204.0110456  595161404281414 2    281117 2      C-13-H3C(O)CH3
  370613.9391  0.0175 -6.5002 3  218.7928440  5951614042723 5 2    2720 8 2      C-13-H3C(O)CH3
  370618.5899  0.4172 -6.5764 3 1318.7983A16  5951614046362 1 2    6361 2 2      C-13-H3C(O)CH3
  370627.3388  0.0098 -4.8406 3  323.0389552  595161404342312 0    3324 9 0      C-13-H3C(O)CH3
  370656.4011  0.0131 -5.0523 3  370.3493584  595161404362611 0    3527 8 0      C-13-H3C(O)CH3
  370670.6187  0.0195 -5.4674 3  451.5992632  5951614043931 9 0    3832 6 0      C-13-H3C(O)CH3
  370670.6258  0.0195 -5.4674 3  451.5992632  5951614043931 8 0    3832 7 0      C-13-H3C(O)CH3
  370676.4386  0.0262 -5.5727 3  322.9917276  595161404342312 3    3324 9 3      C-13-H3C(O)CH3
  370677.7108  0.0706 -6.2722 3  499.6259340  595161404422913 3    422616 3      C-13-H3C(O)CH3
  370685.5517  0.0132 -5.0523 3  370.3493584  595161404362610 0    3527 9 0      C-13-H3C(O)CH3
  370689.3036  0.0069 -6.0293 3  204.0134456  595161404281414 1    281117 1      C-13-H3C(O)CH3
  370696.4903  0.0136 -5.0519 3  370.3257584  595161404362611 2    3527 9 2      C-13-H3C(O)CH3
  370705.0186  0.0139 -5.1454 3  323.0164552  595161404342312 2    332410 2      C-13-H3C(O)CH3
  370705.6241  0.0203 -4.7125 3  378.9437744  59516140446 443 0    46 344 0      C-13-H3C(O)CH3
  370705.6241  0.0203 -5.2097 3  378.9437744  59516140446 343 0    46 344 0      C-13-H3C(O)CH3
  370705.6241  0.0203 -5.2097 3  378.9437744  59516140446 443 0    46 244 0      C-13-H3C(O)CH3
  370705.6241  0.0203 -4.7125 3  378.9437744  59516140446 343 0    46 244 0      C-13-H3C(O)CH3
  370711.4194  0.0173 -6.4978 3  218.7772440  5951614042723 5 1    2720 8 1      C-13-H3C(O)CH3
  370720.7896  0.0021 -3.7865 3  212.4073252 -59516140431 823 3    30 922 3      C-13-H3C(O)CH3
  370720.7896  0.0022 -3.7865 3  212.4074252 -59516140431 823 4    30 922 4      C-13-H3C(O)CH3
  370720.7896  0.0022 -3.7865 3  212.4074252 -59516140431 923 4    30 822 4      C-13-H3C(O)CH3
  370720.7896  0.0021 -3.7864 3  212.4073252 -59516140431 923 3    30 822 3      C-13-H3C(O)CH3
  370739.8678  0.0197 -5.4680 3  451.5856632  5951614043931 8 1    3832 6 1      C-13-H3C(O)CH3
  370743.2781  0.0167 -6.5044 3  218.8196440  5951614042723 4 2    2720 7 2      C-13-H3C(O)CH3
  370753.1086  0.0064 -6.0276 3  204.0214456  595161404281414 0    281117 0      C-13-H3C(O)CH3
  370756.0897  0.0138 -5.1123 3  323.0098552  595161404342312 1    3324 9 1      C-13-H3C(O)CH3
  370776.0681  0.0025 -3.4855 3  212.4120504 -59516140431 823 1    30 922 1      C-13-H3C(O)CH3
  370776.0681  0.0025 -3.4855 3  212.4120504 -59516140431 923 1    30 822 1      C-13-H3C(O)CH3
  370776.7657  0.0661 -6.0442 3  499.6450680  595161404422913 2    422616 2      C-13-H3C(O)CH3
  370777.6961  0.0025 -3.4854 3  212.4108504 -59516140431 823 2    30 922 2      C-13-H3C(O)CH3
  370777.6961  0.0025 -3.4854 3  212.4108504 -59516140431 923 2    30 822 2      C-13-H3C(O)CH3
  370830.4123  0.0173 -5.2631 3  322.9878276  595161404342312 4    3324 9 4      C-13-H3C(O)CH3
  370832.8137  0.0021 -3.4856 3  212.4155504 -59516140431 823 0    30 922 0      C-13-H3C(O)CH3
  370832.8137  0.0021 -3.4855 3  212.4155504 -59516140431 923 0    30 822 0      C-13-H3C(O)CH3
  370832.8271  0.0021 -6.7111 3  212.4155504  59516140431 823 0    30 822 0      C-13-H3C(O)CH3
  370858.1821  0.4068 -6.8130 3 1289.3887A00  5951614046262 1 1    6261 2 1      C-13-H3C(O)CH3
  370859.2920  0.0254 -5.2757 3  929.5196A16  595161404631944 0    631845 0      C-13-H3C(O)CH3
  370859.2920  0.0254 -5.2777 3  929.5196A16  595161404632044 0    631845 0      C-13-H3C(O)CH3
  370859.2920  0.0254 -5.6165 3  929.5196A16  595161404632044 0    631945 0      C-13-H3C(O)CH3
  370859.2920  0.0254 -5.0884 3  929.5196A16  595161404631944 0    631945 0      C-13-H3C(O)CH3
  370879.2850  0.0907 -6.0262 3  547.0029712  595161404443014 2    442717 2      C-13-H3C(O)CH3
  370887.1255  0.0136 -5.0548 3  370.3179584  595161404362610 1    3527 8 1      C-13-H3C(O)CH3
  370907.9332  0.0134 -5.0541 3  370.3107584  595161404362611 1    3527 9 1      C-13-H3C(O)CH3
  370909.3717  0.0148 -5.3536 3  370.2942292  595161404362611 3    3527 9 3      C-13-H3C(O)CH3
  370924.9144  0.0480 -4.9518 3  323.9112712  59516140444 143 2    44 144 2      C-13-H3C(O)CH3
  370924.9144  0.0480 -6.2889 3  323.9112712  59516140444 143 2    44 044 2      C-13-H3C(O)CH3
  370924.9144  0.0480 -4.9675 3  323.9112712  59516140444 243 2    44 044 2      C-13-H3C(O)CH3
  370925.8532  0.0502 -4.9598 3  323.9116712  59516140444 243 1    44 044 1      C-13-H3C(O)CH3
  370925.8532  0.0502 -4.9598 3  323.9116712  59516140444 143 1    44 144 1      C-13-H3C(O)CH3
  370925.8532  0.0502 -6.5001 3  323.9116712  59516140444 143 1    44 044 1      C-13-H3C(O)CH3
  370925.8532  0.0502 -6.5001 3  323.9116712  59516140444 243 1    44 144 1      C-13-H3C(O)CH3
  370935.4995  0.0158 -5.3521 3  370.2869292  595161404362611 4    3527 9 4      C-13-H3C(O)CH3
  370938.7465  0.0246 -5.7498 3  322.9842276  595161404342312 4    332410 4      C-13-H3C(O)CH3
  370939.4931  0.0300 -6.6159 3  929.5178A16  595161404631944 1    631845 1      C-13-H3C(O)CH3
  370939.4931  0.0300 -6.6159 3  929.5178A16  595161404632044 1    631945 1      C-13-H3C(O)CH3
  370939.4931  0.0300 -4.9855 3  929.5178A16  595161404632044 1    631845 1      C-13-H3C(O)CH3
  370939.4931  0.0300 -4.9855 3  929.5178A16  595161404631944 1    631945 1      C-13-H3C(O)CH3
  370940.2159  0.0932 -6.2249 3  546.9831356  595161404443014 3    442717 3      C-13-H3C(O)CH3
  370942.1507  0.0318 -6.5575 3  929.5179A16  595161404632044 2    631945 2      C-13-H3C(O)CH3
  370942.1507  0.0318 -6.5575 3  929.5179A16  595161404631944 2    631845 2      C-13-H3C(O)CH3
  370942.1507  0.0318 -4.9869 3  929.5179A16  595161404631944 2    631945 2      C-13-H3C(O)CH3
  370942.1507  0.0318 -4.9869 3  929.5179A16  595161404632044 2    631845 2      C-13-H3C(O)CH3
  370947.8944  0.0203 -5.4670 3  451.5529632  5951614043931 9 1    3832 7 1      C-13-H3C(O)CH3
  370950.8178  0.0136 -5.0519 3  370.3345584  595161404362610 2    3527 8 2      C-13-H3C(O)CH3
  370963.1531  0.0190 -5.4662 3  451.5709632  5951614043931 9 2    3832 7 2      C-13-H3C(O)CH3
  370978.3663  0.0131 -5.1721 3  323.0024552  595161404342312 1    332410 1      C-13-H3C(O)CH3
  370980.3489  0.0683 -6.3988 3 1370.8207596  595161404742945 3    742846 3      C-13-H3C(O)CH3
  370980.3489  0.0683 -6.3988 3 1370.8207596  595161404743045 3    742946 3      C-13-H3C(O)CH3
  370980.3489  0.0683 -6.2590 3 1370.8207596  595161404742945 3    742946 3      C-13-H3C(O)CH3
  370980.3489  0.0683 -6.2590 3 1370.8207596  595161404743045 3    742846 3      C-13-H3C(O)CH3
  370980.3557  0.0683 -6.0647 3 1370.8207596  595161404742945 4    742946 4      C-13-H3C(O)CH3
  370980.3557  0.0683 -6.0647 3 1370.8207596  595161404743045 4    742846 4      C-13-H3C(O)CH3
  370992.6471  0.0669 -5.7241 3 1370.7994B92  595161404742945 1    742846 1      C-13-H3C(O)CH3
  370992.6471  0.0669 -5.7517 3 1370.7994B92  595161404743045 1    742946 1      C-13-H3C(O)CH3
  370996.8600  0.0695 -5.7231 3 1370.8016B92  595161404742945 2    742846 2      C-13-H3C(O)CH3
  370996.8600  0.0695 -5.7231 3 1370.8016B92  595161404743045 2    742946 2      C-13-H3C(O)CH3
  370999.9543  0.0069 -6.3310 3  204.0030228  595161404281514 3    281217 3      C-13-H3C(O)CH3
  370999.9806  0.0082 -6.3310 3  204.0030228  595161404281514 4    281217 4      C-13-H3C(O)CH3
  371000.1356  0.0194 -5.4671 3  451.5882632  5951614043931 8 2    3832 6 2      C-13-H3C(O)CH3
  371009.1833  0.0687 -5.7619 3 1370.7803B92  595161404742945 0    742946 0      C-13-H3C(O)CH3
  371009.1833  0.0687 -6.4153 3 1370.7803B92  595161404742945 0    742846 0      C-13-H3C(O)CH3
  371009.1833  0.0687 -6.7681 3 1370.7803B92  595161404743045 0    742946 0      C-13-H3C(O)CH3
  371009.1833  0.0687 -5.8192 3 1370.7803B92  595161404743045 0    742846 0      C-13-H3C(O)CH3
  371017.0239  0.0159 -5.3411 3  322.9803276  595161404342312 3    332410 3      C-13-H3C(O)CH3
  371022.4629  0.0262 -6.1837 3  929.5161508  595161404631944 3    631845 3      C-13-H3C(O)CH3
  371022.4629  0.0262 -5.3336 3  929.5161508  595161404631944 3    631945 3      C-13-H3C(O)CH3
  371022.4629  0.0262 -6.1837 3  929.5161508  595161404632044 3    631945 3      C-13-H3C(O)CH3
  371022.4629  0.0262 -5.3336 3  929.5161508  595161404632044 3    631845 3      C-13-H3C(O)CH3
  371022.6350  0.0262 -6.2507 3  929.5161508  595161404631944 4    631945 4      C-13-H3C(O)CH3
  371022.6350  0.0262 -5.3249 3  929.5161508  595161404631944 4    631845 4      C-13-H3C(O)CH3
  371022.6350  0.0262 -5.3249 3  929.5161508  595161404632044 4    631945 4      C-13-H3C(O)CH3
  371022.6350  0.0262 -6.2507 3  929.5161508  595161404632044 4    631845 4      C-13-H3C(O)CH3
  371029.9162  0.0531 -6.2935 3  581.2823744  595161404462719 1    453016 1      C-13-H3C(O)CH3
  371030.1524  0.0214 -5.7678 3  451.5574316  5951614043931 8 3    3832 6 3      C-13-H3C(O)CH3
  371068.6791  0.0228 -5.7687 3  451.5746316  5951614043931 8 4    3832 6 4      C-13-H3C(O)CH3
  371073.8615  0.0068 -6.0285 3  204.0110456  595161404281514 2    281217 2      C-13-H3C(O)CH3
  371094.0359  0.3406 -6.6769 3 1733.8028C08  595161404756411 2    756312 2      C-13-H3C(O)CH3
  371121.7436  0.0156 -6.5890 3   51.5078116  5951614041412 3 4    13 9 4 4      C-13-H3C(O)CH3
  371142.0661  0.0068 -6.0285 3  204.0134456  595161404281514 1    281217 1      C-13-H3C(O)CH3
  371143.9814  0.0308 -4.8061 3  351.0998728  59516140445 243 0    45 244 0      C-13-H3C(O)CH3
  371143.9814  0.0308 -5.3921 3  351.0998728  59516140445 243 0    45 144 0      C-13-H3C(O)CH3
  371143.9814  0.0308 -4.9196 3  351.0998728  59516140445 343 0    45 144 0      C-13-H3C(O)CH3
  371143.9814  0.0308 -5.1164 3  351.0998728  59516140445 343 0    45 244 0      C-13-H3C(O)CH3
  371158.4798  0.1344 -6.3407 3  596.5050372  595161404463115 4    462818 4      C-13-H3C(O)CH3
  371161.5257  0.0151 -5.3527 3  370.3031292  595161404362610 4    3527 8 4      C-13-H3C(O)CH3
  371162.1198  0.4841 -6.6768 3 1733.8298C08  595161404756411 0    756313 0      C-13-H3C(O)CH3
  371162.1198  0.4841 -6.6768 3 1733.8298C08  595161404756412 0    756312 0      C-13-H3C(O)CH3
  371162.7610  0.0186 -6.5014 3  218.8277440  5951614042723 4 0    2720 7 0      C-13-H3C(O)CH3
  371164.4652  0.0048 -4.7139 3   70.5140140  5951614041710 8 4    16 7 9 4      C-13-H3C(O)CH3
  371178.8961  0.3551 -6.6768 3 1733.8026C08  595161404756411 1    756312 1      C-13-H3C(O)CH3
  371184.5857  0.0037 -4.7139 3   70.5139140  5951614041710 8 3    16 7 9 3      C-13-H3C(O)CH3
  371187.0852  0.0141 -5.3530 3  370.2958292  595161404362610 3    3527 8 3      C-13-H3C(O)CH3
  371205.2359  0.1567 -6.6826 3 1731.6600660  595161404823746 3    823647 3      C-13-H3C(O)CH3
  371205.2359  0.1567 -6.6826 3 1731.6600660  595161404823646 3    823547 3      C-13-H3C(O)CH3
  371215.8983  0.0064 -6.0267 3  204.0214456  595161404281514 0    281217 0      C-13-H3C(O)CH3
  371219.6556  0.0186 -6.5013 3  218.8258440  5951614042723 5 0    2720 8 0      C-13-H3C(O)CH3
  371237.6836  0.0221 -5.7669 3  451.5245316  5951614043931 9 4    3832 7 4      C-13-H3C(O)CH3
  371242.6326  0.1740 -6.6328 3 1731.6539D20  595161404823646 2    823647 2      C-13-H3C(O)CH3
  371242.6326  0.1740 -6.7383 3 1731.6539D20  595161404823646 2    823547 2      C-13-H3C(O)CH3
  371242.6326  0.1740 -6.6352 3 1731.6539D20  595161404823746 2    823547 2      C-13-H3C(O)CH3
  371242.6326  0.1740 -6.7352 3 1731.6539D20  595161404823746 2    823647 2      C-13-H3C(O)CH3
  371245.1090  0.1908 -6.3840 3 1731.6507D20  595161404823646 1    823547 1      C-13-H3C(O)CH3
  371245.1090  0.1908 -6.3847 3 1731.6507D20  595161404823746 1    823647 1      C-13-H3C(O)CH3
  371264.6986  0.3554 -6.6766 3 1733.7860C08  595161404756412 2    756313 2      C-13-H3C(O)CH3
  371274.9820  0.0214 -5.7678 3  451.5420316  5951614043931 9 3    3832 7 3      C-13-H3C(O)CH3
  371282.4500  0.1938 -6.5151 3 1731.6447D20  595161404823746 0    823547 0      C-13-H3C(O)CH3
  371282.4500  0.1938 -6.5093 3 1731.6447D20  595161404823646 0    823647 0      C-13-H3C(O)CH3
  371291.9643  0.3489 -6.6766 3 1733.7924C08  595161404756412 1    756313 1      C-13-H3C(O)CH3
  371350.3908  0.4387 -6.4531 3 1517.4849B12  5951614046963 7 0    6962 8 0      C-13-H3C(O)CH3
  371350.3908  0.4387 -6.4531 3 1517.4849B12  5951614046963 6 0    6962 7 0      C-13-H3C(O)CH3
  371374.1625  0.3257 -6.4531 3 1517.4659B12  5951614046963 7 1    6962 8 1      C-13-H3C(O)CH3
  371403.0188  0.0038 -4.4124 3   70.4779280  5951614041710 8 2    16 7 9 2      C-13-H3C(O)CH3
  371408.9653  0.0044 -3.8985 3  177.7494424 -595161404261412 2    251511 2      C-13-H3C(O)CH3
  371412.9318  0.0036 -4.4122 3   70.4801280  5951614041710 8 1    16 7 9 1      C-13-H3C(O)CH3
  371420.7975  0.0733 -6.3567 3  499.6266340  595161404422913 4    422616 4      C-13-H3C(O)CH3
  371432.9099  0.0058 -4.1977 3  177.7470212  595161404261412 3    251511 3      C-13-H3C(O)CH3
  371444.0248  0.3332 -6.4530 3 1517.4880B12  5951614046963 6 1    6962 7 1      C-13-H3C(O)CH3
  371452.1078  0.0048 -4.1976 3  177.7467212  595161404261412 4    251511 4      C-13-H3C(O)CH3
  371455.3714  0.3393 -6.4530 3 1517.4768B12  5951614046963 6 2    6962 7 2      C-13-H3C(O)CH3
  371465.8724  0.0616 -6.2192 3  581.2909744  595161404462719 0    453016 0      C-13-H3C(O)CH3
  371479.4266  0.2612 -6.7540 3 1517.4578556  5951614046963 7 3    6962 8 3      C-13-H3C(O)CH3
  371493.6739  0.0038 -3.8987 3  177.7563424 -595161404261412 0    251511 0      C-13-H3C(O)CH3
  371517.4359  0.0232 -5.0118 3  891.7267A00  595161404621944 0    621745 0      C-13-H3C(O)CH3
  371517.4359  0.0232 -5.6264 3  891.7267A00  595161404621844 0    621745 0      C-13-H3C(O)CH3
  371517.4359  0.0232 -6.1247 3  891.7267A00  595161404621944 0    621845 0      C-13-H3C(O)CH3
  371517.4359  0.0232 -4.9452 3  891.7267A00  595161404621844 0    621845 0      C-13-H3C(O)CH3
  371522.6331  0.3200 -6.4529 3 1517.4627B12  5951614046963 7 2    6962 8 2      C-13-H3C(O)CH3
  371525.0494  0.0046 -3.8969 3  177.7538424 -595161404261412 1    251511 1      C-13-H3C(O)CH3
  371545.7088  0.2701 -6.7539 3 1517.4436556  5951614046963 7 4    6962 8 4      C-13-H3C(O)CH3
  371549.3002  0.3145 -6.7540 3 1517.4798556  5951614046963 6 4    6962 7 4      C-13-H3C(O)CH3
  371581.5991  0.0457 -5.1268 3  323.8447712  59516140444 243 0    44 044 0      C-13-H3C(O)CH3
  371581.5991  0.0457 -5.4117 3  323.8447712  59516140444 243 0    44 144 0      C-13-H3C(O)CH3
  371581.5991  0.0457 -5.4117 3  323.8447712  59516140444 143 0    44 044 0      C-13-H3C(O)CH3
  371581.5991  0.0457 -5.1268 3  323.8447712  59516140444 143 0    44 144 0      C-13-H3C(O)CH3
  371602.0352  0.0028 -5.1545 3  117.2846172  5951614042114 7 4    2013 7 4      C-13-H3C(O)CH3
  371603.9504  0.0275 -5.2431 3  891.7207A00  595161404621944 1    621745 1      C-13-H3C(O)CH3
  371603.9504  0.0275 -5.1945 3  891.7207A00  595161404621944 1    621845 1      C-13-H3C(O)CH3
  371603.9504  0.0275 -5.1945 3  891.7207A00  595161404621844 1    621745 1      C-13-H3C(O)CH3
  371603.9504  0.0275 -5.2431 3  891.7207A00  595161404621844 1    621845 1      C-13-H3C(O)CH3
  371606.0840  0.0287 -5.2934 3  891.7207A00  595161404621944 2    621745 2      C-13-H3C(O)CH3
  371606.0840  0.0287 -5.1540 3  891.7207A00  595161404621944 2    621845 2      C-13-H3C(O)CH3
  371606.0840  0.0287 -5.2934 3  891.7207A00  595161404621844 2    621845 2      C-13-H3C(O)CH3
  371606.0840  0.0287 -5.1540 3  891.7207A00  595161404621844 2    621745 2      C-13-H3C(O)CH3
  371616.1484  0.2795 -6.7539 3 1517.4657556  5951614046963 6 3    6962 7 3      C-13-H3C(O)CH3
  371641.0003  0.0038 -4.4117 3   70.4441280  5951614041710 8 0    16 7 9 0      C-13-H3C(O)CH3
  371692.7139  0.0244 -5.2834 3  891.7146500  595161404621944 3    621745 3      C-13-H3C(O)CH3
  371692.7139  0.0244 -6.0715 3  891.7146500  595161404621944 3    621845 3      C-13-H3C(O)CH3
  371692.7139  0.0244 -5.2834 3  891.7146500  595161404621844 3    621845 3      C-13-H3C(O)CH3
  371692.7139  0.0244 -6.0715 3  891.7146500  595161404621844 3    621745 3      C-13-H3C(O)CH3
  371692.8853  0.0244 -5.2765 3  891.7146500  595161404621944 4    621745 4      C-13-H3C(O)CH3
  371692.8853  0.0244 -6.1164 3  891.7146500  595161404621944 4    621845 4      C-13-H3C(O)CH3
  371692.8853  0.0244 -6.1164 3  891.7146500  595161404621844 4    621745 4      C-13-H3C(O)CH3
  371692.8853  0.0244 -5.2765 3  891.7146500  595161404621844 4    621845 4      C-13-H3C(O)CH3
  371705.4836  0.0028 -5.3110 3  117.2691344  5951614042114 7 1    2013 7 1      C-13-H3C(O)CH3
  371739.6707  0.0022 -4.3832 3  218.1703260 -59516140432 825 3    31 824 3      C-13-H3C(O)CH3
  371739.6707  0.0022 -3.7698 3  218.1704260 -59516140432 725 4    31 824 4      C-13-H3C(O)CH3
  371739.6707  0.0022 -3.8687 3  218.1703260 -59516140432 725 3    31 824 3      C-13-H3C(O)CH3
  371739.6707  0.0022 -3.7698 3  218.1704260 -59516140432 825 4    31 724 4      C-13-H3C(O)CH3
  371739.7030  0.0022 -5.1678 3  218.1704260  59516140432 725 4    31 724 4      C-13-H3C(O)CH3
  371739.7030  0.0022 -5.1678 3  218.1704260  59516140432 825 4    31 824 4      C-13-H3C(O)CH3
  371739.7490  0.0022 -3.8687 3  218.1703260  59516140432 825 3    31 724 3      C-13-H3C(O)CH3
  371739.7490  0.0022 -4.3832 3  218.1703260  59516140432 725 3    31 724 3      C-13-H3C(O)CH3
  371764.3730  0.0029 -5.5316 3  117.2628344  5951614042114 7 2    2013 7 2      C-13-H3C(O)CH3
  371792.3343  0.0026 -3.4534 3  218.1721520 -59516140432 725 1    31 724 1      C-13-H3C(O)CH3
  371792.3343  0.0026 -5.8516 3  218.1721520 -59516140432 825 1    31 724 1      C-13-H3C(O)CH3
  371792.3755  0.0026 -5.8516 3  218.1721520  59516140432 725 1    31 824 1      C-13-H3C(O)CH3
  371792.3755  0.0026 -3.4534 3  218.1721520  59516140432 825 1    31 824 1      C-13-H3C(O)CH3
  371793.4038  0.0026 -4.6779 3  218.1712520  59516140432 725 2    31 724 2      C-13-H3C(O)CH3
  371793.4038  0.0026 -3.4783 3  218.1712520  59516140432 825 2    31 724 2      C-13-H3C(O)CH3
  371793.4473  0.0026 -4.6779 3  218.1712520 -59516140432 825 2    31 824 2      C-13-H3C(O)CH3
  371793.4473  0.0026 -3.4783 3  218.1712520 -59516140432 725 2    31 824 2      C-13-H3C(O)CH3
  371796.0687  0.0990 -6.3495 3  546.9838356  595161404443014 4    442717 4      C-13-H3C(O)CH3
  371845.8873  0.0022 -6.2425 3  218.1729520 -59516140432 825 0    31 824 0      C-13-H3C(O)CH3
  371845.8873  0.0022 -3.4539 3  218.1729520 -59516140432 725 0    31 724 0      C-13-H3C(O)CH3
  371845.9181  0.0022 -5.7402 3  218.1729520  59516140432 725 0    31 824 0      C-13-H3C(O)CH3
  371845.9181  0.0022 -3.4524 3  218.1729520  59516140432 825 0    31 724 0      C-13-H3C(O)CH3
  372011.7149  0.0614 -5.9431 3 1326.6972588  595161404732845 3    732846 3      C-13-H3C(O)CH3
  372011.7149  0.0614 -5.9431 3 1326.6972588  595161404732945 3    732746 3      C-13-H3C(O)CH3
  372011.7389  0.0615 -6.0619 3 1326.6972588  595161404732845 4    732846 4      C-13-H3C(O)CH3
  372011.7389  0.0615 -6.0619 3 1326.6972588  595161404732945 4    732746 4      C-13-H3C(O)CH3
  372011.7389  0.0615 -6.5614 3 1326.6972588  595161404732945 4    732846 4      C-13-H3C(O)CH3
  372011.7389  0.0615 -6.5614 3 1326.6972588  595161404732845 4    732746 4      C-13-H3C(O)CH3
  372016.2053  0.0587 -5.6750 3 1326.6758B76  595161404732845 1    732846 1      C-13-H3C(O)CH3
  372016.2053  0.0587 -6.7701 3 1326.6758B76  595161404732845 1    732746 1      C-13-H3C(O)CH3
  372016.2053  0.0587 -6.7701 3 1326.6758B76  595161404732945 1    732846 1      C-13-H3C(O)CH3
  372016.2053  0.0587 -5.6750 3 1326.6758B76  595161404732945 1    732746 1      C-13-H3C(O)CH3
  372020.8294  0.0628 -6.0091 3 1326.6777B76  595161404732845 2    732846 2      C-13-H3C(O)CH3
  372020.8294  0.0628 -5.8846 3 1326.6777B76  595161404732845 2    732746 2      C-13-H3C(O)CH3
  372020.8294  0.0628 -5.8846 3 1326.6777B76  595161404732945 2    732846 2      C-13-H3C(O)CH3
  372020.8294  0.0628 -6.0091 3 1326.6777B76  595161404732945 2    732746 2      C-13-H3C(O)CH3
  372021.3068  0.0152 -5.1422 3  323.0206552  595161404342311 2    3324 9 2      C-13-H3C(O)CH3
  372025.3551  0.0596 -5.8007 3 1326.6564B76  595161404732845 0    732846 0      C-13-H3C(O)CH3
  372025.3551  0.0596 -6.1539 3 1326.6564B76  595161404732845 0    732746 0      C-13-H3C(O)CH3
  372025.3551  0.0596 -5.8007 3 1326.6564B76  595161404732945 0    732746 0      C-13-H3C(O)CH3
  372025.3551  0.0596 -6.1539 3 1326.6564B76  595161404732945 0    732846 0      C-13-H3C(O)CH3
  372038.3979  0.0227 -5.9061 3  109.4959164  5951614042015 5 4    1914 6 4      C-13-H3C(O)CH3
  372052.8290  0.0102 -4.8366 3  323.0377552  595161404342311 0    332410 0      C-13-H3C(O)CH3
  372146.4845  0.0200 -5.1320 3  323.0164552  595161404342311 2    332410 2      C-13-H3C(O)CH3
  372148.3552  0.0209 -5.0007 3  854.5129984  595161404611844 0    611645 0      C-13-H3C(O)CH3
  372148.3552  0.0209 -5.0693 3  854.5129984  595161404611844 0    611745 0      C-13-H3C(O)CH3
  372148.3552  0.0209 -5.2816 3  854.5129984  595161404611744 0    611745 0      C-13-H3C(O)CH3
  372148.3552  0.0209 -5.4235 3  854.5129984  595161404611744 0    611645 0      C-13-H3C(O)CH3
  372167.3616  0.0130 -5.1680 3  323.0098552  595161404342311 1    3324 9 1      C-13-H3C(O)CH3
  372178.1418  0.0166 -5.3375 3  322.9917276  595161404342311 3    3324 9 3      C-13-H3C(O)CH3
  372238.9751  0.0248 -5.3448 3  854.5025984  595161404611844 1    611745 1      C-13-H3C(O)CH3
  372238.9751  0.0248 -5.0342 3  854.5025984  595161404611744 1    611745 1      C-13-H3C(O)CH3
  372238.9751  0.0248 -5.0342 3  854.5025984  595161404611844 1    611645 1      C-13-H3C(O)CH3
  372238.9751  0.0248 -5.3448 3  854.5025984  595161404611744 1    611645 1      C-13-H3C(O)CH3
  372240.5948  0.0256 -5.9780 3  854.5024984  595161404611844 2    611745 2      C-13-H3C(O)CH3
  372240.5948  0.0256 -4.8958 3  854.5024984  595161404611844 2    611645 2      C-13-H3C(O)CH3
  372240.5948  0.0256 -5.9780 3  854.5024984  595161404611744 2    611645 2      C-13-H3C(O)CH3
  372240.5948  0.0256 -4.8958 3  854.5024984  595161404611744 2    611745 2      C-13-H3C(O)CH3
  372251.8532  0.0219 -5.7444 3  322.9878276  595161404342311 4    3324 9 4      C-13-H3C(O)CH3
  372331.3323  0.0227 -5.3873 3  854.4920492  595161404611844 3    611745 3      C-13-H3C(O)CH3
  372331.3323  0.0227 -5.5548 3  854.4920492  595161404611844 3    611645 3      C-13-H3C(O)CH3
  372331.3323  0.0227 -5.5548 3  854.4920492  595161404611744 3    611745 3      C-13-H3C(O)CH3
  372331.3323  0.0227 -5.3873 3  854.4920492  595161404611744 3    611645 3      C-13-H3C(O)CH3
  372331.4954  0.0228 -6.4936 3  854.4920492  595161404611844 4    611745 4      C-13-H3C(O)CH3
  372331.4954  0.0228 -5.1827 3  854.4920492  595161404611844 4    611645 4      C-13-H3C(O)CH3
  372331.4954  0.0228 -5.1827 3  854.4920492  595161404611744 4    611745 4      C-13-H3C(O)CH3
  372331.4954  0.0228 -6.4936 3  854.4920492  595161404611744 4    611645 4      C-13-H3C(O)CH3
  372360.1874  0.0196 -5.2596 3  322.9842276  595161404342311 4    332410 4      C-13-H3C(O)CH3
  372385.0040  0.3402 -6.4488 3 1485.1762A96  5951614046863 6 1    6862 7 1      C-13-H3C(O)CH3
  372389.6382  0.0148 -5.1082 3  323.0024552  595161404342311 1    332410 1      C-13-H3C(O)CH3
  372395.6797  0.4515 -6.4487 3 1485.1919A96  5951614046863 6 0    6862 7 0      C-13-H3C(O)CH3
  372395.6797  0.4515 -6.4487 3 1485.1919A96  5951614046863 5 0    6862 6 0      C-13-H3C(O)CH3
  372457.9864  0.3432 -6.6369 3 1698.5652B92  595161404746410 2    746311 2      C-13-H3C(O)CH3
  372496.2792  0.3461 -6.4487 3 1485.2018A96  5951614046863 5 1    6862 6 1      C-13-H3C(O)CH3
  372497.7415  0.4819 -6.6369 3 1698.5907B92  595161404746410 0    746312 0      C-13-H3C(O)CH3
  372497.7415  0.4819 -6.6369 3 1698.5907B92  595161404746411 0    746311 0      C-13-H3C(O)CH3
  372518.7270  0.0255 -5.5677 3  322.9803276  595161404342311 3    332410 3      C-13-H3C(O)CH3
  372536.3881  0.3563 -6.6369 3 1698.5676B92  595161404746410 1    746311 1      C-13-H3C(O)CH3
  372539.4169  0.2765 -6.7496 3 1485.1741548  5951614046863 6 3    6862 7 3      C-13-H3C(O)CH3
  372549.9333  0.3554 -6.4485 3 1485.1898A96  5951614046863 5 2    6862 6 2      C-13-H3C(O)CH3
  372553.5372  0.0271 -6.6914 3  315.0707268  5951614043325 9 3    332211 3      C-13-H3C(O)CH3
  372561.1604  0.2875 -6.7496 3 1485.1608548  5951614046863 6 4    6862 7 4      C-13-H3C(O)CH3
  372566.8980  0.1400 -6.5980 3 1683.0085652  595161404813546 4    813447 4      C-13-H3C(O)CH3
  372566.8980  0.1400 -6.5942 3 1683.0085652  595161404813646 4    813547 4      C-13-H3C(O)CH3
  372566.9663  0.1401 -6.6841 3 1683.0085652  595161404813646 3    813547 3      C-13-H3C(O)CH3
  372566.9663  0.1401 -6.6875 3 1683.0085652  595161404813546 3    813447 3      C-13-H3C(O)CH3
  372572.5822  0.3322 -6.4485 3 1485.1765A96  5951614046863 6 2    6862 7 2      C-13-H3C(O)CH3
  372589.0202  0.0091 -5.7649 3  312.3024552  595161404342015 0    341718 0      C-13-H3C(O)CH3
  372598.5183  0.0099 -5.7655 3  312.2759552  595161404342015 2    341718 2      C-13-H3C(O)CH3
  372605.0899  0.1551 -6.2899 3 1683.0000D04  595161404813546 2    813447 2      C-13-H3C(O)CH3
  372605.0899  0.1551 -6.4408 3 1683.0000D04  595161404813546 2    813547 2      C-13-H3C(O)CH3
  372606.4590  0.1691 -6.3075 3 1682.9968D04  595161404813646 1    813547 1      C-13-H3C(O)CH3
  372606.4590  0.1691 -6.3072 3 1682.9968D04  595161404813546 1    813447 1      C-13-H3C(O)CH3
  372615.2713  0.3451 -6.6367 3 1698.5567B92  595161404746411 1    746312 1      C-13-H3C(O)CH3
  372619.0269  0.3470 -6.6367 3 1698.5495B92  595161404746411 2    746312 2      C-13-H3C(O)CH3
  372631.0578  0.0284 -6.6023 3  315.0696268  5951614043325 9 4    332211 4      C-13-H3C(O)CH3
  372642.9839  0.0193 -6.3408 3  315.0906536  5951614043325 9 1    332211 1      C-13-H3C(O)CH3
  372644.5371  0.1722 -6.3004 3 1682.9883D04  595161404813646 0    813547 0      C-13-H3C(O)CH3
  372644.5371  0.1722 -6.3001 3 1682.9883D04  595161404813546 0    813447 0      C-13-H3C(O)CH3
  372651.0555  0.3289 -6.7495 3 1485.1997548  5951614046863 5 4    6862 6 4      C-13-H3C(O)CH3
  372661.4836  0.0097 -5.7654 3  312.2797552  595161404342015 1    341718 1      C-13-H3C(O)CH3
  372669.9688  0.0104 -6.0669 3  312.2531276  595161404342015 4    341718 4      C-13-H3C(O)CH3
  372671.2825  0.0100 -6.0669 3  312.2531276  595161404342015 3    341718 3      C-13-H3C(O)CH3
  372673.0940  0.2912 -6.7495 3 1485.1864548  5951614046863 5 3    6862 6 3      C-13-H3C(O)CH3
  372717.3743  0.0264 -6.5767 3  315.0696268  5951614043325 8 4    332211 4      C-13-H3C(O)CH3
  372729.9761  0.0246 -6.5067 3  315.0707268  5951614043325 8 3    332211 3      C-13-H3C(O)CH3
  372753.9795  0.0186 -4.8760 3  817.8790968  595161404601644 0    601645 0      C-13-H3C(O)CH3
  372753.9795  0.0186 -5.6500 3  817.8790968  595161404601744 0    601645 0      C-13-H3C(O)CH3
  372753.9795  0.0186 -4.8760 3  817.8790968  595161404601744 0    601545 0      C-13-H3C(O)CH3
  372753.9795  0.0186 -5.6500 3  817.8790968  595161404601644 0    601545 0      C-13-H3C(O)CH3
  372775.5736  0.0185 -6.2402 3  315.0906536  5951614043325 8 1    332211 1      C-13-H3C(O)CH3
  372789.0567  0.0023 -3.7275 3  223.3818268 -59516140433 627 4    32 726 4      C-13-H3C(O)CH3
  372789.0567  0.0022 -4.0176 3  223.3818268 -59516140433 627 3    32 626 3      C-13-H3C(O)CH3
  372789.0567  0.0023 -4.3371 3  223.3818268 -59516140433 727 4    32 626 4      C-13-H3C(O)CH3
  372789.0567  0.0022 -4.0176 3  223.3818268 -59516140433 727 3    32 726 3      C-13-H3C(O)CH3
  372789.0942  0.0023 -3.8426 3  223.3818268  59516140433 627 4    32 626 4      C-13-H3C(O)CH3
  372789.0942  0.0023 -5.6146 3  223.3818268  59516140433 727 4    32 726 4      C-13-H3C(O)CH3
  372789.1267  0.0022 -4.0283 3  223.3818268  59516140433 727 3    32 626 3      C-13-H3C(O)CH3
  372789.1267  0.0022 -4.0283 3  223.3818268  59516140433 627 3    32 726 3      C-13-H3C(O)CH3
  372839.0899  0.0027 -4.4747 3  223.3795536  59516140433 727 1    32 726 1      C-13-H3C(O)CH3
  372839.0899  0.0027 -4.4747 3  223.3795536  59516140433 627 1    32 626 1      C-13-H3C(O)CH3
  372839.0966  0.0027 -3.4610 3  223.3795536 -59516140433 727 1    32 626 1      C-13-H3C(O)CH3
  372839.0966  0.0027 -3.4610 3  223.3795536 -59516140433 627 1    32 726 1      C-13-H3C(O)CH3
  372839.7854  0.0026 -3.6009 3  223.3788536  59516140433 727 2    32 626 2      C-13-H3C(O)CH3
  372839.7854  0.0026 -3.6009 3  223.3788536  59516140433 627 2    32 726 2      C-13-H3C(O)CH3
  372839.7923  0.0026 -3.8902 3  223.3788536 -59516140433 627 2    32 626 2      C-13-H3C(O)CH3
  372839.7923  0.0026 -3.8902 3  223.3788536 -59516140433 727 2    32 726 2      C-13-H3C(O)CH3
  372845.9430  0.0222 -4.8596 3  817.8643968  595161404601644 1    601645 1      C-13-H3C(O)CH3
  372845.9430  0.0222 -5.7599 3  817.8643968  595161404601644 1    601545 1      C-13-H3C(O)CH3
  372845.9430  0.0222 -5.7599 3  817.8643968  595161404601744 1    601645 1      C-13-H3C(O)CH3
  372845.9430  0.0222 -4.8596 3  817.8643968  595161404601744 1    601545 1      C-13-H3C(O)CH3
  372847.0779  0.0225 -5.2041 3  817.8641968  595161404601644 2    601545 2      C-13-H3C(O)CH3
  372847.0779  0.0225 -5.2041 3  817.8641968  595161404601744 2    601645 2      C-13-H3C(O)CH3
  372847.0779  0.0225 -5.0313 3  817.8641968  595161404601744 2    601545 2      C-13-H3C(O)CH3
  372847.0779  0.0225 -5.0313 3  817.8641968  595161404601644 2    601645 2      C-13-H3C(O)CH3
  372889.6401  0.0022 -4.5164 3  223.3765536 -59516140433 727 0    32 726 0      C-13-H3C(O)CH3
  372889.6401  0.0022 -3.4571 3  223.3765536 -59516140433 627 0    32 726 0      C-13-H3C(O)CH3
  372889.6413  0.0022 -4.5164 3  223.3765536  59516140433 627 0    32 626 0      C-13-H3C(O)CH3
  372889.6413  0.0022 -3.4571 3  223.3765536  59516140433 727 0    32 626 0      C-13-H3C(O)CH3
  372939.1590  0.0213 -5.3964 3  817.8493484  595161404601644 3    601545 3      C-13-H3C(O)CH3
  372939.1590  0.0213 -5.4238 3  817.8493484  595161404601744 3    601545 3      C-13-H3C(O)CH3
  372939.1590  0.0213 -5.4238 3  817.8493484  595161404601644 3    601645 3      C-13-H3C(O)CH3
  372939.1590  0.0213 -5.3964 3  817.8493484  595161404601744 3    601645 3      C-13-H3C(O)CH3
  372939.3043  0.0213 -6.3514 3  817.8493484  595161404601644 4    601545 4      C-13-H3C(O)CH3
  372939.3043  0.0213 -6.3514 3  817.8493484  595161404601744 4    601645 4      C-13-H3C(O)CH3
  372939.3043  0.0213 -5.1344 3  817.8493484  595161404601644 4    601645 4      C-13-H3C(O)CH3
  372939.3043  0.0213 -5.1344 3  817.8493484  595161404601744 4    601545 4      C-13-H3C(O)CH3
  372986.0331  0.0573 -6.0547 3  531.7905356  595161404442618 3    442321 3      C-13-H3C(O)CH3
  372995.2268  0.0525 -5.5642 3 1283.1194B60  595161404722845 1    722646 1      C-13-H3C(O)CH3
  372995.2268  0.0525 -5.5642 3 1283.1194B60  595161404722745 1    722746 1      C-13-H3C(O)CH3
  372995.9695  0.0524 -5.5862 3 1283.1001B60  595161404722845 0    722646 0      C-13-H3C(O)CH3
  372995.9695  0.0524 -5.5862 3 1283.1001B60  595161404722745 0    722746 0      C-13-H3C(O)CH3
  372996.8822  0.0573 -6.0547 3  531.7904356  595161404442618 4    442321 4      C-13-H3C(O)CH3
  372999.4232  0.0555 -5.8648 3 1283.1403580  595161404722745 3    722746 3      C-13-H3C(O)CH3
  372999.4232  0.0555 -5.8648 3 1283.1403580  595161404722845 3    722646 3      C-13-H3C(O)CH3
  372999.4656  0.0556 -6.7427 3 1283.1404580  595161404722745 4    722746 4      C-13-H3C(O)CH3
  372999.4656  0.0556 -5.9153 3 1283.1404580  595161404722745 4    722646 4      C-13-H3C(O)CH3
  372999.4656  0.0556 -5.9261 3 1283.1404580  595161404722845 4    722746 4      C-13-H3C(O)CH3
  373000.1206  0.0577 -6.5095 3 1283.1211B60  595161404722845 2    722746 2      C-13-H3C(O)CH3
  373000.1206  0.0577 -5.6156 3 1283.1211B60  595161404722745 2    722746 2      C-13-H3C(O)CH3
  373000.1206  0.0577 -5.6156 3 1283.1211B60  595161404722845 2    722646 2      C-13-H3C(O)CH3
  373000.1206  0.0577 -6.5095 3 1283.1211B60  595161404722745 2    722646 2      C-13-H3C(O)CH3
  373067.3849  0.0223 -6.3689 3  315.0927536  5951614043325 9 2    332211 2      C-13-H3C(O)CH3
  373111.6580  0.0224 -6.2225 3  315.0927536  5951614043325 8 2    332211 2      C-13-H3C(O)CH3
  373117.5743  0.0548 -5.7549 3  531.8095712  595161404442618 2    442321 2      C-13-H3C(O)CH3
  373141.8984  0.0167 -5.9877 3  315.1129536  5951614043325 8 0    332211 0      C-13-H3C(O)CH3
  373143.5422  0.0129 -6.1522 3   51.4578232  5951614041412 3 1    13 9 4 1      C-13-H3C(O)CH3
  373146.6675  0.1444 -6.0696 3  997.9346968  595161404603723 2    603426 2      C-13-H3C(O)CH3
  373163.2586  0.1849 -6.0713 3  997.9338968  595161404603723 0    603426 0      C-13-H3C(O)CH3
  373169.2427  0.1295 -6.3686 3  997.9329484  595161404603723 3    603426 3      C-13-H3C(O)CH3
  373191.1176  0.1811 -6.0695 3  997.9322968  595161404603723 1    603426 1      C-13-H3C(O)CH3
  373213.1341  0.1266 -6.3692 3  997.9330484  595161404603723 4    603426 4      C-13-H3C(O)CH3
  373229.0584  0.4409 -6.1478 3 1069.2574A00  595161404623923 0    623626 0      C-13-H3C(O)CH3
  373336.2371  0.0163 -4.7785 3  781.8259952  595161404591544 0    591445 0      C-13-H3C(O)CH3
  373336.2371  0.0163 -6.0971 3  781.8259952  595161404591544 0    591545 0      C-13-H3C(O)CH3
  373336.2371  0.0163 -6.0971 3  781.8259952  595161404591644 0    591445 0      C-13-H3C(O)CH3
  373336.2371  0.0163 -4.7785 3  781.8259952  595161404591644 0    591545 0      C-13-H3C(O)CH3
  373340.9135  0.3583 -6.4577 3 1453.3800A80  5951614046763 5 1    6762 6 1      C-13-H3C(O)CH3
  373357.6522  0.0039 -3.6693 3  109.6370156 -5951614041918 1 4    1817 1 4      C-13-H3C(O)CH3
  373390.4547  0.4700 -6.4576 3 1453.3929A80  5951614046763 4 0    6762 5 0      C-13-H3C(O)CH3
  373390.4547  0.4700 -6.4576 3 1453.3929A80  5951614046763 5 0    6762 6 0      C-13-H3C(O)CH3
  373426.1895  0.0197 -6.1500 3  781.8070952  595161404591644 1    591545 1      C-13-H3C(O)CH3
  373426.1895  0.0197 -6.1500 3  781.8070952  595161404591544 1    591445 1      C-13-H3C(O)CH3
  373426.1895  0.0197 -4.7758 3  781.8070952  595161404591544 1    591545 1      C-13-H3C(O)CH3
  373426.1895  0.0197 -4.7758 3  781.8070952  595161404591644 1    591445 1      C-13-H3C(O)CH3
  373426.8859  0.0198 -4.7652 3  781.8067952  595161404591644 2    591445 2      C-13-H3C(O)CH3
  373426.8859  0.0198 -6.5367 3  781.8067952  595161404591544 2    591445 2      C-13-H3C(O)CH3
  373426.8859  0.0198 -4.7652 3  781.8067952  595161404591544 2    591545 2      C-13-H3C(O)CH3
  373426.8859  0.0198 -6.5367 3  781.8067952  595161404591644 2    591545 2      C-13-H3C(O)CH3
  373439.5454  0.0281 -5.7555 3  531.8134712  595161404442618 1    442321 1      C-13-H3C(O)CH3
  373459.4706  0.0035 -3.6690 3  109.5617156 -5951614041918 2 3    1817 2 3      C-13-H3C(O)CH3
  373493.3054  0.3635 -6.4576 3 1453.4100A80  5951614046763 4 1    6762 5 1      C-13-H3C(O)CH3
  373510.1961  0.0220 -5.9909 3  590.0680760  595161404472523 0    462620 0      C-13-H3C(O)CH3
  373515.1569  0.3058 -6.7586 3 1453.3721540  5951614046763 5 4    6762 6 4      C-13-H3C(O)CH3
  373516.6890  0.0038 -3.6688 3  109.5632156 -5951614041918 1 3    1817 1 3      C-13-H3C(O)CH3
  373516.9525  0.0199 -5.4467 3  781.7878476  595161404591644 3    591545 3      C-13-H3C(O)CH3
  373516.9525  0.0199 -5.2871 3  781.7878476  595161404591644 3    591445 3      C-13-H3C(O)CH3
  373516.9525  0.0199 -5.2871 3  781.7878476  595161404591544 3    591545 3      C-13-H3C(O)CH3
  373516.9525  0.0199 -5.4467 3  781.7878476  595161404591544 3    591445 3      C-13-H3C(O)CH3
  373517.0698  0.0199 -6.4346 3  781.7878476  595161404591644 4    591445 4      C-13-H3C(O)CH3
  373517.0698  0.0199 -6.4346 3  781.7878476  595161404591544 4    591545 4      C-13-H3C(O)CH3
  373517.0698  0.0199 -5.0773 3  781.7878476  595161404591544 4    591445 4      C-13-H3C(O)CH3
  373517.0698  0.0199 -5.0773 3  781.7878476  595161404591644 4    591545 4      C-13-H3C(O)CH3
  373528.3094  0.0134 -6.1342 3   51.4553232  5951614041412 3 2    13 9 4 2      C-13-H3C(O)CH3
  373546.3789  0.2933 -6.7586 3 1453.3853540  5951614046763 5 3    6762 6 3      C-13-H3C(O)CH3
  373552.2366  0.0166 -5.2754 3  421.4944616  595161404382910 0    3730 7 0      C-13-H3C(O)CH3
  373552.5735  0.0166 -5.2754 3  421.4944616  5951614043829 9 0    3730 8 0      C-13-H3C(O)CH3
  373559.1696  0.0417 -6.5267 3  613.6375712  5951614044440 4 1    4341 2 1      C-13-H3C(O)CH3
  373565.4483  0.3480 -6.4575 3 1453.3850A80  5951614046763 5 2    6762 6 2      C-13-H3C(O)CH3
  373569.1752  0.0289 -5.7567 3  531.8324712  595161404442618 0    442321 0      C-13-H3C(O)CH3
  373595.9677  0.3756 -6.4574 3 1453.3981A80  5951614046763 4 2    6762 5 2      C-13-H3C(O)CH3
  373615.8186  0.0035 -3.3676 3  109.6181312 -5951614041918 1 1    1817 1 1      C-13-H3C(O)CH3
  373618.0786  0.0036 -3.6685 3  109.4881156 -5951614041918 2 4    1817 2 4      C-13-H3C(O)CH3
  373646.7443  0.0214 -5.9900 3  590.0491760  595161404472523 1    462620 1      C-13-H3C(O)CH3
  373657.2805  0.0035 -3.3675 3  109.6318312 -5951614041918 1 2    1817 1 2      C-13-H3C(O)CH3
  373668.2453  0.3046 -6.7585 3 1453.4021540  5951614046763 4 3    6762 5 3      C-13-H3C(O)CH3
  373695.2574  0.0174 -5.2757 3  421.4730616  5951614043829 9 1    3730 7 1      C-13-H3C(O)CH3
  373699.5806  0.3450 -6.7584 3 1453.4151540  5951614046763 4 4    6762 5 4      C-13-H3C(O)CH3
  373720.3307  0.0146 -6.3003 3   51.4944116  5951614041412 3 3    13 9 4 3      C-13-H3C(O)CH3
  373731.0838  0.0162 -5.2743 3  421.4694616  595161404382910 2    3730 8 2      C-13-H3C(O)CH3
  373752.4665  0.0426 -6.5271 3  613.6100712  5951614044440 4 2    4341 2 2      C-13-H3C(O)CH3
  373758.2098  0.0036 -3.3672 3  109.5565312 -5951614041918 2 2    1817 2 2      C-13-H3C(O)CH3
  373759.4992  0.3483 -6.6017 3 1663.8286B76  5951614047364 9 2    736310 2      C-13-H3C(O)CH3
  373766.0635  0.4803 -6.6017 3 1663.8520B76  595161404736410 0    736311 0      C-13-H3C(O)CH3
  373766.0635  0.4803 -6.6017 3 1663.8520B76  5951614047364 9 0    736310 0      C-13-H3C(O)CH3
  373774.0211  0.0035 -3.3671 3  109.5444312 -5951614041918 2 1    1817 2 1      C-13-H3C(O)CH3
  373806.6471  0.0384 -5.9878 3  590.0413760  595161404472523 2    462620 2      C-13-H3C(O)CH3
  373810.2089  0.0189 -6.5642 3  264.5261244  5951614043024 6 3    3021 9 3      C-13-H3C(O)CH3
  373821.1988  0.0167 -5.2749 3  421.4506616  595161404382910 1    3730 8 1      C-13-H3C(O)CH3
  373823.6022  0.3583 -6.6017 3 1663.8337B76  5951614047364 9 1    736310 1      C-13-H3C(O)CH3
  373824.7163  0.0190 -5.8943 3  430.0775632  595161404392713 1    392416 1      C-13-H3C(O)CH3
  373835.9652  0.0282 -6.2735 3  430.0539316  595161404392713 4    392416 4      C-13-H3C(O)CH3
  373858.2045  0.0023 -4.3888 3  228.0460276  59516140434 629 4    33 628 4      C-13-H3C(O)CH3
  373858.2045  0.0023 -4.3888 3  228.0460276  59516140434 529 4    33 528 4      C-13-H3C(O)CH3
  373858.2050  0.0023 -3.7908 3  228.0460276 -59516140434 529 4    33 628 4      C-13-H3C(O)CH3
  373858.2050  0.0022 -4.7359 3  228.0459276 -59516140434 529 3    33 528 3      C-13-H3C(O)CH3
  373858.2050  0.0022 -3.7343 3  228.0459276 -59516140434 629 3    33 528 3      C-13-H3C(O)CH3
  373858.2050  0.0023 -3.7908 3  228.0460276 -59516140434 629 4    33 528 4      C-13-H3C(O)CH3
  373858.2228  0.0022 -4.7359 3  228.0459276  59516140434 629 3    33 628 3      C-13-H3C(O)CH3
  373858.2228  0.0022 -3.7343 3  228.0459276  59516140434 529 3    33 628 3      C-13-H3C(O)CH3
  373865.9785  0.3450 -6.6016 3 1663.8215B76  595161404736410 1    736311 1      C-13-H3C(O)CH3
  373870.5779  0.1251 -6.5973 3 1634.9139644  595161404803546 4    803447 4      C-13-H3C(O)CH3
  373870.5779  0.1251 -6.5973 3 1634.9139644  595161404803446 4    803347 4      C-13-H3C(O)CH3
  373870.6391  0.1251 -6.5359 3 1634.9139644  595161404803546 3    803447 3      C-13-H3C(O)CH3
  373870.6391  0.1251 -6.5359 3 1634.9139644  595161404803446 3    803347 3      C-13-H3C(O)CH3
  373871.1189  0.0183 -5.5757 3  421.4479308  595161404382910 3    3730 7 3      C-13-H3C(O)CH3
  373884.7960  0.0439 -6.5263 3  613.5743712  5951614044440 5 1    4341 3 1      C-13-H3C(O)CH3
  373885.0236  0.0171 -5.2748 3  421.4831616  5951614043829 9 2    3730 7 2      C-13-H3C(O)CH3
  373897.0546  0.0142 -5.5888 3  746.3543936  595161404581544 0    581445 0      C-13-H3C(O)CH3
  373897.0546  0.0142 -4.7727 3  746.3543936  595161404581444 0    581445 0      C-13-H3C(O)CH3
  373897.0546  0.0142 -4.7727 3  746.3543936  595161404581544 0    581345 0      C-13-H3C(O)CH3
  373897.0546  0.0142 -5.5888 3  746.3543936  595161404581444 0    581345 0      C-13-H3C(O)CH3
  373904.5030  0.3422 -6.6015 3 1663.8141B76  595161404736410 2    736311 2      C-13-H3C(O)CH3
  373905.0304  0.0027 -3.4161 3  228.0384552 -59516140434 629 1    33 628 1      C-13-H3C(O)CH3
  373905.0304  0.0027 -3.4161 3  228.0384552 -59516140434 529 1    33 528 1      C-13-H3C(O)CH3
  373905.1024  0.0027 -4.6589 3  228.0384552  59516140434 629 1    33 528 1      C-13-H3C(O)CH3
  373905.1024  0.0027 -4.6589 3  228.0384552  59516140434 529 1    33 628 1      C-13-H3C(O)CH3
  373905.5539  0.0027 -3.6801 3  228.0378552 -59516140434 629 2    33 528 2      C-13-H3C(O)CH3
  373905.5539  0.0027 -3.9681 3  228.0378552 -59516140434 529 2    33 628 2      C-13-H3C(O)CH3
  373905.5629  0.0027 -3.5259 3  228.0378552  59516140434 529 2    33 528 2      C-13-H3C(O)CH3
  373905.5629  0.0027 -3.7063 3  228.0378552  59516140434 629 2    33 628 2      C-13-H3C(O)CH3
  373908.5085  0.1374 -6.1984 3 1634.9031C88  595161404803546 2    803347 2      C-13-H3C(O)CH3
  373908.5085  0.1374 -6.1984 3 1634.9031C88  595161404803446 2    803447 2      C-13-H3C(O)CH3
  373908.7762  0.1485 -6.2729 3 1634.8999C88  595161404803446 1    803447 1      C-13-H3C(O)CH3
  373908.7762  0.1485 -6.2708 3 1634.8999C88  595161404803546 1    803347 1      C-13-H3C(O)CH3
  373909.1934  0.0362 -6.5252 3  613.5935712  5951614044440 4 0    4341 2 0      C-13-H3C(O)CH3
  373909.1934  0.0362 -6.5252 3  613.5935712  5951614044440 5 0    4341 3 0      C-13-H3C(O)CH3
  373914.8970  0.0037 -3.3668 3  109.6129312 -5951614041918 2 0    1817 1 0      C-13-H3C(O)CH3
  373914.8970  0.0037 -3.3668 3  109.6129312 -5951614041918 1 0    1817 2 0      C-13-H3C(O)CH3
  373921.1435  0.0132 -6.3283 3   51.4944116  5951614041412 2 3    13 9 4 3      C-13-H3C(O)CH3
  373923.1173  0.0469 -6.4199 3 1240.1128B44  595161404712745 0    712546 0      C-13-H3C(O)CH3
  373923.1173  0.0469 -5.5411 3 1240.1128B44  595161404712745 0    712646 0      C-13-H3C(O)CH3
  373923.1173  0.0469 -6.4199 3 1240.1128B44  595161404712645 0    712646 0      C-13-H3C(O)CH3
  373923.1173  0.0469 -5.5411 3 1240.1128B44  595161404712645 0    712546 0      C-13-H3C(O)CH3
  373931.6854  0.0482 -5.5020 3 1240.1314B44  595161404712645 1    712646 1      C-13-H3C(O)CH3
  373931.6854  0.0482 -5.5020 3 1240.1314B44  595161404712745 1    712546 1      C-13-H3C(O)CH3
  373936.7071  0.0538 -5.5535 3 1240.1328B44  595161404712645 2    712646 2      C-13-H3C(O)CH3
  373936.7071  0.0538 -5.5535 3 1240.1328B44  595161404712745 2    712546 2      C-13-H3C(O)CH3
  373936.7071  0.0538 -6.3363 3 1240.1328B44  595161404712745 2    712646 2      C-13-H3C(O)CH3
  373936.7071  0.0538 -6.3363 3 1240.1328B44  595161404712645 2    712546 2      C-13-H3C(O)CH3
  373941.0977  0.0396 -6.2880 3  590.0224380  595161404472523 4    462620 4      C-13-H3C(O)CH3
  373945.3302  0.0505 -6.5631 3 1240.1514572  595161404712645 3    712646 3      C-13-H3C(O)CH3
  373945.3302  0.0505 -5.8680 3 1240.1514572  595161404712645 3    712546 3      C-13-H3C(O)CH3
  373945.3302  0.0505 -6.5631 3 1240.1514572  595161404712745 3    712546 3      C-13-H3C(O)CH3
  373945.3302  0.0505 -5.8680 3 1240.1514572  595161404712745 3    712646 3      C-13-H3C(O)CH3
  373945.3919  0.0505 -6.2471 3 1240.1515572  595161404712745 4    712646 4      C-13-H3C(O)CH3
  373945.3919  0.0505 -5.9737 3 1240.1515572  595161404712645 4    712646 4      C-13-H3C(O)CH3
  373945.3919  0.0505 -6.2471 3 1240.1515572  595161404712645 4    712546 4      C-13-H3C(O)CH3
  373945.3919  0.0505 -5.9737 3 1240.1515572  595161404712745 4    712546 4      C-13-H3C(O)CH3
  373946.5517  0.0392 -6.2880 3  590.0223380  595161404472523 3    462620 3      C-13-H3C(O)CH3
  373946.6108  0.1517 -6.4821 3 1634.8892C88  595161404803546 0    803347 0      C-13-H3C(O)CH3
  373946.6108  0.1517 -6.4650 3 1634.8892C88  595161404803446 0    803347 0      C-13-H3C(O)CH3
  373946.6108  0.1517 -6.5161 3 1634.8892C88  595161404803546 0    803447 0      C-13-H3C(O)CH3
  373946.6108  0.1517 -6.5354 3 1634.8892C88  595161404803446 0    803447 0      C-13-H3C(O)CH3
  373952.3276  0.0022 -3.5035 3  228.0302552 -59516140434 629 0    33 528 0      C-13-H3C(O)CH3
  373952.3276  0.0022 -3.5035 3  228.0302552 -59516140434 529 0    33 628 0      C-13-H3C(O)CH3
  373952.3398  0.0022 -4.0364 3  228.0302552  59516140434 629 0    33 628 0      C-13-H3C(O)CH3
  373952.3398  0.0022 -4.0364 3  228.0302552  59516140434 529 0    33 528 0      C-13-H3C(O)CH3
  373955.3642  0.0172 -5.7425 3  430.0970632  595161404392713 0    392416 0      C-13-H3C(O)CH3
  373981.0127  0.0176 -4.7560 3  746.3316936  595161404581544 1    581345 1      C-13-H3C(O)CH3
  373981.0127  0.0176 -5.7145 3  746.3316936  595161404581544 1    581445 1      C-13-H3C(O)CH3
  373981.0127  0.0176 -5.7145 3  746.3316936  595161404581444 1    581345 1      C-13-H3C(O)CH3
  373981.0127  0.0176 -4.7560 3  746.3316936  595161404581444 1    581445 1      C-13-H3C(O)CH3
  373981.3309  0.0174 -4.7118 3  746.3313936  595161404581544 2    581345 2      C-13-H3C(O)CH3
  373981.3309  0.0174 -4.7118 3  746.3313936  595161404581444 2    581445 2      C-13-H3C(O)CH3
  373998.2725  0.0183 -5.5748 3  421.4254308  595161404382910 4    3730 8 4      C-13-H3C(O)CH3
  374016.8307  0.5144 -6.1498 3 1069.2512A00  595161404623923 2    623626 2      C-13-H3C(O)CH3
  374025.5606  0.0203 -5.5762 3  421.4617308  5951614043829 9 4    3730 7 4      C-13-H3C(O)CH3
  374046.1766  0.0249 -5.9492 3  430.0738632  595161404392713 2    392416 2      C-13-H3C(O)CH3
  374051.4447  0.0312 -6.2170 3  577.3633696  5951614044338 5 1    4239 3 1      C-13-H3C(O)CH3
  374053.6303  0.0219 -6.5209 3  264.5328244  5951614043024 6 4    3021 9 4      C-13-H3C(O)CH3
  374063.9830  0.0392 -6.5194 3  577.3691348  5951614044338 5 4    4239 3 4      C-13-H3C(O)CH3
  374065.3962  0.0186 -5.0129 3  746.3085468  595161404581444 3    581445 3      C-13-H3C(O)CH3
  374065.3962  0.0186 -5.0129 3  746.3085468  595161404581544 3    581345 3      C-13-H3C(O)CH3
  374065.4736  0.0186 -5.1672 3  746.3085468  595161404581544 4    581445 4      C-13-H3C(O)CH3
  374065.4736  0.0186 -5.1672 3  746.3085468  595161404581444 4    581345 4      C-13-H3C(O)CH3
  374065.4736  0.0186 -5.5324 3  746.3085468  595161404581544 4    581345 4      C-13-H3C(O)CH3
  374065.4736  0.0186 -5.5324 3  746.3085468  595161404581444 4    581445 4      C-13-H3C(O)CH3
  374125.2490  0.0107 -5.8202 3  292.0018536  595161404331815 2    331518 2      C-13-H3C(O)CH3
  374128.1328  0.0144 -6.0488 3   58.5514124  5951614041512 4 4    14 9 5 4      C-13-H3C(O)CH3
  374150.8772  0.0178 -5.5754 3  421.4393308  5951614043829 9 3    3730 8 3      C-13-H3C(O)CH3
  374188.3822  0.0246 -6.7562 3  264.5510488  5951614043024 7 2    3021 9 2      C-13-H3C(O)CH3
  374196.8634  0.4119 -6.1504 3 1069.2458A00  595161404623923 1    623626 1      C-13-H3C(O)CH3
  374202.1994  0.0091 -5.8194 3  292.0267536  595161404331815 0    331518 0      C-13-H3C(O)CH3
  374218.2653  0.0125 -6.1217 3  291.9802268  595161404331815 3    331518 3      C-13-H3C(O)CH3
  374222.9491  0.0122 -6.1217 3  291.9802268  595161404331815 4    331518 4      C-13-H3C(O)CH3
  374225.5968  0.0192 -6.5143 3  264.4967244  5951614043024 7 4    302110 4      C-13-H3C(O)CH3
  374244.2313  0.0164 -6.2332 3  264.5493488  5951614043024 6 1    3021 9 1      C-13-H3C(O)CH3
  374245.4697  0.3796 -6.4855 3 1422.0762A64  5951614046663 4 1    6662 5 1      C-13-H3C(O)CH3
  374248.4487  0.0263 -6.3977 3  370.1764292  595161404362611 4    362314 4      C-13-H3C(O)CH3
  374272.1762  0.0189 -6.0745 3  370.1985584  595161404362611 1    362314 1      C-13-H3C(O)CH3
  374272.2295  0.0426 -6.5252 3  613.5584712  5951614044440 5 2    4341 3 2      C-13-H3C(O)CH3
  374292.1529  0.0164 -5.6629 3  465.4044664  595161404412616 0    412319 0      C-13-H3C(O)CH3
  374295.3607  0.0108 -5.8201 3  292.0052536  595161404331815 1    331518 1      C-13-H3C(O)CH3
  374308.7919  0.0292 -6.2156 3  577.3340696  5951614044338 6 0    4239 3 0      C-13-H3C(O)CH3
  374308.7919  0.0292 -6.2156 3  577.3340696  5951614044338 5 0    4239 4 0      C-13-H3C(O)CH3
  374311.7823  0.0310 -6.1824 3  430.0544316  595161404392713 3    392416 3      C-13-H3C(O)CH3
  374321.0886  0.0314 -6.2170 3  577.3399696  5951614044338 5 2    4239 3 2      C-13-H3C(O)CH3
  374337.9157  0.4941 -6.4853 3 1422.0866A64  5951614046663 3 0    6662 5 0      C-13-H3C(O)CH3
  374337.9157  0.4941 -6.4853 3 1422.0866A64  5951614046663 4 0    6662 4 0      C-13-H3C(O)CH3
  374377.8546  0.0237 -6.2720 3  430.0775632  595161404392712 1    392416 1      C-13-H3C(O)CH3
  374398.3419  0.0348 -6.2163 3  577.3035696  5951614044338 6 1    4239 4 1      C-13-H3C(O)CH3
  374410.2624  0.3240 -6.7864 3 1422.0763532  5951614046663 4 4    6662 5 4      C-13-H3C(O)CH3
  374411.6081  0.0386 -6.5187 3  577.3095348  5951614044338 6 3    4239 4 3      C-13-H3C(O)CH3
  374433.1309  0.0272 -6.3838 3  370.1767292  595161404362611 3    362314 3      C-13-H3C(O)CH3
  374438.0513  0.3856 -6.4853 3 1422.1111A64  5951614046663 3 1    6662 4 1      C-13-H3C(O)CH3
  374438.4988  0.0123 -4.6682 3  711.4649920 -595161404571444 0    571345 0      C-13-H3C(O)CH3
  374438.4988  0.0123 -4.6682 3  711.4649920 -595161404571344 0    571245 0      C-13-H3C(O)CH3
  374455.7755  0.0159 -5.6630 3  465.3829664  595161404412616 1    412319 1      C-13-H3C(O)CH3
  374465.0110  0.0187 -6.5646 3  264.5035244  5951614043024 7 3    302110 3      C-13-H3C(O)CH3
  374468.7258  0.0203 -6.2100 3  370.1985584  595161404362610 1    362314 1      C-13-H3C(O)CH3
  374476.7653  0.0383 -6.5176 3  577.3278348  5951614044338 5 3    4239 3 3      C-13-H3C(O)CH3
  374502.9232  0.3121 -6.7863 3 1422.0901532  5951614046663 4 3    6662 5 3      C-13-H3C(O)CH3
  374503.3849  0.3667 -6.4852 3 1422.0868A64  5951614046663 4 2    6662 5 2      C-13-H3C(O)CH3
  374511.6761  0.0159 -4.7571 3  711.4389920  595161404571444 1    571345 1      C-13-H3C(O)CH3
  374511.6761  0.0159 -5.3939 3  711.4389920  595161404571344 1    571345 1      C-13-H3C(O)CH3
  374511.6761  0.0159 -4.7571 3  711.4389920  595161404571344 1    571245 1      C-13-H3C(O)CH3
  374511.6761  0.0159 -5.3939 3  711.4389920  595161404571444 1    571245 1      C-13-H3C(O)CH3
  374511.6873  0.0156 -5.0683 3  711.4386920  595161404571344 2    571245 2      C-13-H3C(O)CH3
  374511.6873  0.0156 -4.8865 3  711.4386920  595161404571344 2    571345 2      C-13-H3C(O)CH3
  374511.6873  0.0156 -5.0683 3  711.4386920  595161404571444 2    571345 2      C-13-H3C(O)CH3
  374511.6873  0.0156 -4.8865 3  711.4386920  595161404571444 2    571245 2      C-13-H3C(O)CH3
  374536.3216  0.0226 -6.0939 3  370.1976584  595161404362611 2    362314 2      C-13-H3C(O)CH3
  374549.1387  0.0165 -5.8368 3  370.2194584  595161404362611 0    362314 0      C-13-H3C(O)CH3
  374585.1032  0.0174 -4.9677 3  711.4126460  595161404571344 3    571245 3      C-13-H3C(O)CH3
  374585.1032  0.0174 -6.0804 3  711.4126460  595161404571344 3    571345 3      C-13-H3C(O)CH3
  374585.1032  0.0174 -5.0026 3  711.4126460  595161404571444 3    571345 3      C-13-H3C(O)CH3
  374585.1289  0.0174 -5.6491 3  711.4126460  595161404571344 4    571345 4      C-13-H3C(O)CH3
  374585.1289  0.0174 -5.0691 3  711.4126460  595161404571444 4    571345 4      C-13-H3C(O)CH3
  374585.1289  0.0174 -5.6491 3  711.4126460  595161404571444 4    571245 4      C-13-H3C(O)CH3
  374585.1289  0.0174 -5.0691 3  711.4126460  595161404571344 4    571245 4      C-13-H3C(O)CH3
  374585.2899  0.0162 -5.6641 3  465.3780664  595161404412616 2    412319 2      C-13-H3C(O)CH3
  374595.7118  0.4003 -6.4851 3 1422.1004A64  5951614046663 3 2    6662 4 2      C-13-H3C(O)CH3
  374603.5173  0.3194 -6.7863 3 1422.1113532  5951614046663 3 3    6662 4 3      C-13-H3C(O)CH3
  374633.4991  0.0176 -6.3354 3  264.5510488  5951614043024 6 2    3021 9 2      C-13-H3C(O)CH3
  374638.9627  0.0161 -6.2302 3  264.5206488  5951614043024 7 1    302110 1      C-13-H3C(O)CH3
  374653.7305  0.0254 -5.7650 3  112.2570164  5951614042016 5 3    1915 4 3      C-13-H3C(O)CH3
  374696.8504  0.3637 -6.7861 3 1422.1249532  5951614046663 3 4    6662 4 4      C-13-H3C(O)CH3
  374717.2854  0.0139 -5.9659 3  465.3565332  595161404412616 4    412319 4      C-13-H3C(O)CH3
  374725.1178  0.0181 -6.3313 3  264.5331488  5951614043024 7 2    302110 2      C-13-H3C(O)CH3
  374732.4574  0.0331 -6.2152 3  577.2985696  5951614044338 6 2    4239 4 2      C-13-H3C(O)CH3
  374745.3205  0.0167 -6.1942 3  264.5700488  5951614043024 6 0    3021 9 0      C-13-H3C(O)CH3
  374756.9459  0.0300 -6.5029 3  370.1767292  595161404362610 3    362314 3      C-13-H3C(O)CH3
  374776.5525  0.0150 -5.9644 3  465.3566332  595161404412616 3    412319 3      C-13-H3C(O)CH3
  374806.8416  0.0350 -6.6108 3  430.0544316  595161404392712 3    392416 3      C-13-H3C(O)CH3
  374808.8239  0.0428 -5.9212 3 1197.6958B28  595161404702645 0    702546 0      C-13-H3C(O)CH3
  374808.8239  0.0428 -5.5879 3 1197.6958B28  595161404702545 0    702546 0      C-13-H3C(O)CH3
  374808.8239  0.0428 -5.5741 3 1197.6958B28  595161404702645 0    702446 0      C-13-H3C(O)CH3
  374808.8239  0.0428 -5.8921 3 1197.6958B28  595161404702545 0    702446 0      C-13-H3C(O)CH3
  374821.1037  0.0435 -6.5169 3  577.2681348  5951614044338 6 4    4239 4 4      C-13-H3C(O)CH3
  374827.4496  0.0453 -6.2927 3 1197.7132B28  595161404702645 1    702546 1      C-13-H3C(O)CH3
  374827.4496  0.0453 -5.4742 3 1197.7132B28  595161404702645 1    702446 1      C-13-H3C(O)CH3
  374827.4496  0.0453 -6.2927 3 1197.7132B28  595161404702545 1    702446 1      C-13-H3C(O)CH3
  374827.4496  0.0453 -5.4742 3 1197.7132B28  595161404702545 1    702546 1      C-13-H3C(O)CH3
  374832.4624  0.0509 -5.4611 3 1197.7143B28  595161404702545 2    702446 2      C-13-H3C(O)CH3
  374832.4624  0.0509 -6.3908 3 1197.7143B28  595161404702645 2    702446 2      C-13-H3C(O)CH3
  374832.4624  0.0509 -6.3908 3 1197.7143B28  595161404702545 2    702546 2      C-13-H3C(O)CH3
  374832.4624  0.0509 -5.4611 3 1197.7143B28  595161404702645 2    702546 2      C-13-H3C(O)CH3
  374836.5044  0.0029 -3.8047 3  112.3193164 -5951614042016 4 4    1915 4 4      C-13-H3C(O)CH3
  374843.3706  0.0162 -6.1973 3  567.7889372  595161404462422 3    452719 3      C-13-H3C(O)CH3
  374851.1525  0.0460 -6.7613 3 1197.7318564  595161404702545 3    702546 3      C-13-H3C(O)CH3
  374851.1525  0.0460 -5.7546 3 1197.7318564  595161404702545 3    702446 3      C-13-H3C(O)CH3
  374851.1525  0.0460 -6.7613 3 1197.7318564  595161404702645 3    702446 3      C-13-H3C(O)CH3
  374851.1525  0.0460 -5.7546 3 1197.7318564  595161404702645 3    702546 3      C-13-H3C(O)CH3
  374851.2340  0.0461 -5.7170 3 1197.7318564  595161404702645 4    702446 4      C-13-H3C(O)CH3
  374851.2340  0.0461 -5.7170 3 1197.7318564  595161404702545 4    702546 4      C-13-H3C(O)CH3
  374856.2163  0.0165 -6.1973 3  567.7885372  595161404462422 4    452719 4      C-13-H3C(O)CH3
  374884.0682  0.0027 -3.8097 3  112.2570164 -5951614042016 4 3    1915 4 3      C-13-H3C(O)CH3
  374899.5136  0.0189 -5.8976 3  567.8062744  595161404462422 1    452719 1      C-13-H3C(O)CH3
  374913.0699  0.0030 -3.8094 3  112.2484164 -5951614042016 5 3    1915 5 3      C-13-H3C(O)CH3
  374914.9738  0.0178 -5.8960 3  567.8025744  595161404462422 2    452719 2      C-13-H3C(O)CH3
  374915.0574  0.0066 -6.4174 3  187.2107220  595161404271314 3    271017 3      C-13-H3C(O)CH3
  374915.7672  0.0081 -6.4174 3  187.2108220  595161404271314 4    271017 4      C-13-H3C(O)CH3
  374940.9548  0.0022 -5.0796 3  232.1661284 -59516140435 531 4    34 430 4      C-13-H3C(O)CH3
  374940.9548  0.0022 -3.7445 3  232.1660284 -59516140435 531 3    34 530 3      C-13-H3C(O)CH3
  374940.9548  0.0022 -5.0796 3  232.1661284 -59516140435 431 4    34 530 4      C-13-H3C(O)CH3
  374940.9548  0.0022 -3.7445 3  232.1660284 -59516140435 431 3    34 430 3      C-13-H3C(O)CH3
  374940.9762  0.0022 -3.6828 3  232.1661284  59516140435 531 4    34 530 4      C-13-H3C(O)CH3
  374940.9762  0.0022 -3.6828 3  232.1661284  59516140435 431 4    34 430 4      C-13-H3C(O)CH3
  374940.9800  0.0022 -4.4461 3  232.1660284  59516140435 531 3    34 430 3      C-13-H3C(O)CH3
  374940.9800  0.0022 -4.4461 3  232.1660284  59516140435 431 3    34 530 3      C-13-H3C(O)CH3
  374941.9974  0.0249 -5.9545 3  542.3949680  5951614044236 6 1    4137 4 1      C-13-H3C(O)CH3
  374955.5542  0.4039 -6.4519 3 1069.2394500  595161404623923 3    623626 3      C-13-H3C(O)CH3
  374960.8955  0.0328 -6.4854 3  370.1764292  595161404362610 4    362314 4      C-13-H3C(O)CH3
  374961.5812  0.0028 -3.8049 3  112.1862164 -5951614042016 5 4    1915 5 4      C-13-H3C(O)CH3
  374962.0567  0.0108 -4.6286 3  677.1585904  595161404561244 0    561245 0      C-13-H3C(O)CH3
  374962.0567  0.0108 -4.6286 3  677.1585904  595161404561344 0    561145 0      C-13-H3C(O)CH3
  374963.8115  0.0175 -5.8973 3  567.8201744  595161404462422 0    452719 0      C-13-H3C(O)CH3
  374971.2281  0.4812 -6.5720 3 1629.6121B60  5951614047264 8 0    726310 0      C-13-H3C(O)CH3
  374971.2281  0.4812 -6.5720 3 1629.6121B60  5951614047264 9 0    7263 9 0      C-13-H3C(O)CH3
  374983.8569  0.0027 -3.8895 3  232.1516568 -59516140435 531 1    34 530 1      C-13-H3C(O)CH3
  374983.8569  0.0027 -3.5186 3  232.1516568 -59516140435 431 1    34 530 1      C-13-H3C(O)CH3
  374983.8967  0.0027 -3.8895 3  232.1516568  59516140435 431 1    34 430 1      C-13-H3C(O)CH3
  374983.8967  0.0027 -3.5186 3  232.1516568  59516140435 531 1    34 430 1      C-13-H3C(O)CH3
  374984.1180  0.0147 -5.6683 3  441.1716648  595161404402516 0    402219 0      C-13-H3C(O)CH3
  374984.1886  0.0027 -3.9491 3  232.1510568  59516140435 431 2    34 530 2      C-13-H3C(O)CH3
  374984.1886  0.0027 -3.8186 3  232.1510568  59516140435 531 2    34 430 2      C-13-H3C(O)CH3
  374984.2330  0.0027 -3.4956 3  232.1510568 -59516140435 531 2    34 530 2      C-13-H3C(O)CH3
  374984.2330  0.0027 -3.5528 3  232.1510568 -59516140435 431 2    34 430 2      C-13-H3C(O)CH3
  375002.2917  0.3560 -6.5720 3 1629.5919B60  5951614047264 8 2    7263 9 2      C-13-H3C(O)CH3
  375019.1929  0.0144 -5.8172 3  677.1297904  595161404561344 2    561245 2      C-13-H3C(O)CH3
  375019.1929  0.0144 -4.6559 3  677.1297904  595161404561344 2    561145 2      C-13-H3C(O)CH3
  375019.1929  0.0144 -4.6559 3  677.1297904  595161404561244 2    561245 2      C-13-H3C(O)CH3
  375019.1929  0.0144 -5.8172 3  677.1297904  595161404561244 2    561145 2      C-13-H3C(O)CH3
  375019.4108  0.0147 -6.3689 3  677.1300904  595161404561344 1    561245 1      C-13-H3C(O)CH3
  375019.4108  0.0147 -4.6348 3  677.1300904  595161404561244 1    561245 1      C-13-H3C(O)CH3
  375019.4108  0.0147 -4.6348 3  677.1300904  595161404561344 1    561145 1      C-13-H3C(O)CH3
  375019.4108  0.0147 -6.3689 3  677.1300904  595161404561244 1    561145 1      C-13-H3C(O)CH3
  375022.1919  0.0344 -6.1684 3  430.0738632  595161404392712 2    392416 2      C-13-H3C(O)CH3
  375026.9904  0.0022 -4.3652 3  232.1366568 -59516140435 431 0    34 530 0      C-13-H3C(O)CH3
  375026.9904  0.0022 -3.4102 3  232.1366568 -59516140435 531 0    34 530 0      C-13-H3C(O)CH3
  375027.0081  0.0022 -4.3652 3  232.1366568  59516140435 531 0    34 430 0      C-13-H3C(O)CH3
  375027.0081  0.0022 -3.4102 3  232.1366568  59516140435 431 0    34 430 0      C-13-H3C(O)CH3
  375031.8975  0.0065 -6.1147 3  187.2143440  595161404271314 2    271017 2      C-13-H3C(O)CH3
  375040.9842  0.4659 -6.4552 3 1069.2396500  595161404623923 4    623626 4      C-13-H3C(O)CH3
  375044.1671  0.3620 -6.5719 3 1629.5993B60  5951614047264 8 1    7263 9 1      C-13-H3C(O)CH3
  375048.2985  0.3490 -6.5719 3 1629.5851B60  5951614047264 9 1    726310 1      C-13-H3C(O)CH3
  375048.8650  0.0026 -3.5031 3  112.2890328 -5951614042016 4 1    1915 4 1      C-13-H3C(O)CH3
  375054.6465  0.0276 -6.1897 3  370.1976584  595161404362610 2    362314 2      C-13-H3C(O)CH3
  375076.5862  0.0161 -5.7008 3  677.1011452  595161404561344 4    561145 4      C-13-H3C(O)CH3
  375076.5862  0.0161 -5.0079 3  677.1011452  595161404561344 4    561245 4      C-13-H3C(O)CH3
  375076.5862  0.0161 -5.7008 3  677.1011452  595161404561244 4    561245 4      C-13-H3C(O)CH3
  375076.5862  0.0161 -5.0079 3  677.1011452  595161404561244 4    561145 4      C-13-H3C(O)CH3
  375076.6241  0.0161 -6.0384 3  677.1012452  595161404561344 3    561245 3      C-13-H3C(O)CH3
  375076.6241  0.0161 -6.0384 3  677.1012452  595161404561244 3    561145 3      C-13-H3C(O)CH3
  375076.6241  0.0161 -4.9627 3  677.1012452  595161404561244 3    561245 3      C-13-H3C(O)CH3
  375076.6241  0.0161 -4.9627 3  677.1012452  595161404561344 3    561145 3      C-13-H3C(O)CH3
  375087.0644  0.0066 -6.4171 3  187.2107220  595161404271414 3    271117 3      C-13-H3C(O)CH3
  375087.1596  0.0080 -6.4171 3  187.2108220  595161404271414 4    271117 4      C-13-H3C(O)CH3
  375095.6004  0.0248 -5.9533 3  542.3794680  5951614044236 6 0    4137 4 0      C-13-H3C(O)CH3
  375095.6004  0.0248 -5.9533 3  542.3794680  5951614044236 7 0    4137 5 0      C-13-H3C(O)CH3
  375096.0868  0.0295 -6.2563 3  542.3937340  5951614044236 6 4    4137 4 4      C-13-H3C(O)CH3
  375098.0852  0.0065 -6.1146 3  187.2163440  595161404271314 1    271017 1      C-13-H3C(O)CH3
  375102.1019  0.4040 -6.5424 3 1391.2634A48  5951614046563 3 1    6562 4 1      C-13-H3C(O)CH3
  375103.3567  0.0027 -3.5027 3  112.2928328 -5951614042016 4 2    1915 4 2      C-13-H3C(O)CH3
  375119.1176  0.1116 -6.4889 3 1587.3779636  595161404793446 4    793247 4      C-13-H3C(O)CH3
  375119.1176  0.1116 -6.4889 3 1587.3779636  595161404793346 4    793347 4      C-13-H3C(O)CH3
  375119.1699  0.1116 -6.5085 3 1587.3778636  595161404793446 3    793347 3      C-13-H3C(O)CH3
  375119.1699  0.1116 -6.5085 3 1587.3778636  595161404793346 3    793247 3      C-13-H3C(O)CH3
  375123.9423  0.0145 -5.6683 3  441.1489648  595161404402516 1    402219 1      C-13-H3C(O)CH3
  375124.1179  0.0026 -3.5030 3  112.2183328 -5951614042016 5 1    1915 5 1      C-13-H3C(O)CH3
  375124.1863  0.3422 -6.5718 3 1629.5785B60  5951614047264 9 2    726310 2      C-13-H3C(O)CH3
  375143.3235  0.0252 -5.7641 3  112.2484164  5951614042016 4 3    1915 5 3      C-13-H3C(O)CH3
  375152.0063  0.0026 -3.5029 3  112.2306328 -5951614042016 5 2    1915 5 2      C-13-H3C(O)CH3
  375154.9233  0.1294 -6.4843 3 1587.3618C72  595161404793446 1    793347 1      C-13-H3C(O)CH3
  375154.9233  0.1294 -6.3457 3 1587.3618C72  595161404793446 1    793247 1      C-13-H3C(O)CH3
  375154.9233  0.1294 -6.3457 3 1587.3618C72  595161404793346 1    793347 1      C-13-H3C(O)CH3
  375154.9233  0.1294 -6.4843 3 1587.3618C72  595161404793346 1    793247 1      C-13-H3C(O)CH3
  375155.7167  0.1212 -6.1572 3 1587.3649C72  595161404793446 2    793347 2      C-13-H3C(O)CH3
  375155.7167  0.1212 -6.1572 3 1587.3649C72  595161404793346 2    793247 2      C-13-H3C(O)CH3
  375164.4591  0.0135 -5.6060 3   66.1994132  5951614041612 5 4    15 9 6 4      C-13-H3C(O)CH3
  375170.2346  0.0235 -6.7582 3  264.5331488  5951614043024 6 2    302110 2      C-13-H3C(O)CH3
  375191.4466  0.1326 -6.2734 3 1587.3488C72  595161404793446 0    793347 0      C-13-H3C(O)CH3
  375191.4466  0.1326 -6.6085 3 1587.3488C72  595161404793346 0    793347 0      C-13-H3C(O)CH3
  375191.4466  0.1326 -6.6085 3 1587.3488C72  595161404793446 0    793247 0      C-13-H3C(O)CH3
  375191.4466  0.1326 -6.2734 3 1587.3488C72  595161404793346 0    793247 0      C-13-H3C(O)CH3
  375199.7658  0.0142 -5.6687 3  441.1442648  595161404402516 2    402219 2      C-13-H3C(O)CH3
  375208.0793  0.0065 -6.1144 3  187.2143440  595161404271414 2    271117 2      C-13-H3C(O)CH3
  375214.5613  0.0062 -6.1126 3  187.2199440  595161404271314 0    271017 0      C-13-H3C(O)CH3
  375222.6848  0.0166 -6.1933 3  264.5541488  5951614043024 7 0    302110 0      C-13-H3C(O)CH3
  375241.0644  0.5236 -6.5421 3 1391.2719A48  5951614046563 3 0    6562 3 0      C-13-H3C(O)CH3
  375241.0644  0.5236 -6.5421 3 1391.2719A48  5951614046563 2 0    6562 4 0      C-13-H3C(O)CH3
  375248.6676  0.0252 -5.9541 3  542.3783680  5951614044236 6 2    4137 4 2      C-13-H3C(O)CH3
  375268.7001  0.0065 -6.1143 3  187.2163440  595161404271414 1    271117 1      C-13-H3C(O)CH3
  375274.5529  0.0290 -5.9536 3  542.3413680  5951614044236 7 1    4137 5 1      C-13-H3C(O)CH3
  375289.7701  0.0027 -3.5020 3  112.2631328 -5951614042016 5 0    1915 4 0      C-13-H3C(O)CH3
  375307.8614  0.0406 -6.4326 3  430.0539316  595161404392712 4    392416 4      C-13-H3C(O)CH3
  375324.7383  0.0126 -5.9698 3  441.1215324  595161404402516 4    402219 4      C-13-H3C(O)CH3
  375333.3259  0.4123 -6.5422 3 1391.3040A48  5951614046563 2 1    6562 3 1      C-13-H3C(O)CH3
  375339.6888  0.0027 -3.5019 3  112.2619328 -5951614042016 4 0    1915 5 0      C-13-H3C(O)CH3
  375346.1339  0.0098 -5.7159 3   51.4118232  5951614041412 3 0    13 9 4 0      C-13-H3C(O)CH3
  375351.1086  0.0128 -5.9694 3  441.1215324  595161404402516 3    402219 3      C-13-H3C(O)CH3
  375374.1150  0.0306 -6.2546 3  542.3615340  5951614044236 6 3    4137 4 3      C-13-H3C(O)CH3
  375388.4250  0.3879 -6.5420 3 1391.2805A48  5951614046563 3 2    6562 4 2      C-13-H3C(O)CH3
  375389.4947  0.0062 -6.1123 3  187.2199440  595161404271414 0    271117 0      C-13-H3C(O)CH3
  375427.9924  0.0316 -6.2554 3  542.3403340  5951614044236 7 3    4137 5 3      C-13-H3C(O)CH3
  375470.0647  0.0099 -5.1067 3  643.4357888  595161404551244 0    551145 0      C-13-H3C(O)CH3
  375470.0647  0.0099 -4.7493 3  643.4357888  595161404551244 0    551045 0      C-13-H3C(O)CH3
  375470.0647  0.0099 -5.1067 3  643.4357888  595161404551144 0    551045 0      C-13-H3C(O)CH3
  375470.0647  0.0099 -4.7493 3  643.4357888  595161404551144 0    551145 0      C-13-H3C(O)CH3
  375505.0494  0.0138 -4.6853 3  643.4053888  595161404551244 2    551045 2      C-13-H3C(O)CH3
  375505.0494  0.0138 -5.3006 3  643.4053888  595161404551244 2    551145 2      C-13-H3C(O)CH3
  375505.0494  0.0138 -4.6853 3  643.4053888  595161404551144 2    551145 2      C-13-H3C(O)CH3
  375505.0494  0.0138 -5.3006 3  643.4053888  595161404551144 2    551045 2      C-13-H3C(O)CH3
  375505.4166  0.0141 -4.5912 3  643.4057888  595161404551244 1    551145 1      C-13-H3C(O)CH3
  375505.4166  0.0141 -4.5936 3  643.4057888  595161404551144 1    551145 1      C-13-H3C(O)CH3
  375519.5033  0.0231 -6.5030 3  314.9718268  5951614043325 9 3    332212 3      C-13-H3C(O)CH3
  375526.9131  0.0271 -5.9524 3  542.3460680  5951614044236 7 2    4137 5 2      C-13-H3C(O)CH3
  375536.2760  0.0113 -5.9108 3   51.4578232  5951614041412 2 1    13 9 4 1      C-13-H3C(O)CH3
  375540.0093  0.0274 -6.5669 3  314.9726268  5951614043325 9 4    332212 4      C-13-H3C(O)CH3
  375540.3410  0.0149 -5.9796 3  643.3752444  595161404551244 4    551145 4      C-13-H3C(O)CH3
  375540.3410  0.0149 -4.9289 3  643.3752444  595161404551244 4    551045 4      C-13-H3C(O)CH3
  375540.3410  0.0149 -5.9796 3  643.3752444  595161404551144 4    551045 4      C-13-H3C(O)CH3
  375540.3410  0.0149 -4.9289 3  643.3752444  595161404551144 4    551145 4      C-13-H3C(O)CH3
  375540.4526  0.0149 -5.3913 3  643.3753444  595161404551244 3    551145 3      C-13-H3C(O)CH3
  375540.4526  0.0149 -5.0573 3  643.3753444  595161404551144 3    551145 3      C-13-H3C(O)CH3
  375540.4526  0.0149 -5.0211 3  643.3753444  595161404551244 3    551045 3      C-13-H3C(O)CH3
  375540.4526  0.0149 -5.4816 3  643.3753444  595161404551144 3    551045 3      C-13-H3C(O)CH3
  375551.1357  0.4293 -6.5418 3 1391.2958A48  5951614046563 2 2    6562 3 2      C-13-H3C(O)CH3
  375569.0774  0.0186 -5.7540 3  371.7415600  595161404372116 2    371819 2      C-13-H3C(O)CH3
  375576.1121  0.0179 -6.2334 3  314.9927536  5951614043325 9 1    332212 1      C-13-H3C(O)CH3
  375626.3258  0.0254 -6.6024 3  314.9726268  5951614043325 8 4    332212 4      C-13-H3C(O)CH3
  375628.1813  0.0087 -6.7608 3  199.7166220  5951614042718 9 3    271314 3      C-13-H3C(O)CH3
  375655.0632  0.0397 -5.9081 3 1155.8503B12  595161404692445 0    692446 0      C-13-H3C(O)CH3
  375655.0632  0.0397 -5.4775 3 1155.8503B12  595161404692445 0    692346 0      C-13-H3C(O)CH3
  375655.0632  0.0397 -5.4775 3 1155.8503B12  595161404692545 0    692446 0      C-13-H3C(O)CH3
  375655.0632  0.0397 -5.9081 3 1155.8503B12  595161404692545 0    692346 0      C-13-H3C(O)CH3
  375682.0028  0.0217 -6.0549 3  371.7168300  595161404372116 3    371819 3      C-13-H3C(O)CH3
  375684.2945  0.0433 -5.3404 3 1155.8659B12  595161404692545 1    692346 1      C-13-H3C(O)CH3
  375684.2945  0.0433 -5.3404 3 1155.8659B12  595161404692445 1    692446 1      C-13-H3C(O)CH3
  375689.1702  0.0485 -5.3849 3 1155.8669B12  595161404692545 2    692346 2      C-13-H3C(O)CH3
  375689.1702  0.0485 -6.0530 3 1155.8669B12  595161404692545 2    692446 2      C-13-H3C(O)CH3
  375689.1702  0.0485 -6.3520 3 1155.8669B12  595161404692445 2    692346 2      C-13-H3C(O)CH3
  375689.1702  0.0485 -5.4339 3 1155.8669B12  595161404692445 2    692446 2      C-13-H3C(O)CH3
  375689.3535  0.0204 -6.0549 3  371.7167300  595161404372116 4    371819 4      C-13-H3C(O)CH3
  375695.9422  0.0274 -6.6847 3  314.9718268  5951614043325 8 3    332212 3      C-13-H3C(O)CH3
  375703.9010  0.0359 -6.2538 3  542.3080340  5951614044236 7 4    4137 5 4      C-13-H3C(O)CH3
  375708.7018  0.0184 -6.3374 3  314.9927536  5951614043325 8 1    332212 1      C-13-H3C(O)CH3
  375714.4937  0.0133 -6.1514 3   51.5078116  5951614041412 2 4    13 9 4 4      C-13-H3C(O)CH3
  375718.4751  0.0422 -5.9143 3 1155.8825556  595161404692445 3    692346 3      C-13-H3C(O)CH3
  375718.4751  0.0422 -5.9724 3 1155.8825556  595161404692445 3    692446 3      C-13-H3C(O)CH3
  375718.4751  0.0422 -5.9143 3 1155.8825556  595161404692545 3    692446 3      C-13-H3C(O)CH3
  375718.4751  0.0422 -5.9724 3 1155.8825556  595161404692545 3    692346 3      C-13-H3C(O)CH3
  375718.5765  0.0423 -5.6421 3 1155.8826556  595161404692545 4    692446 4      C-13-H3C(O)CH3
  375718.5765  0.0423 -5.6421 3 1155.8826556  595161404692445 4    692346 4      C-13-H3C(O)CH3
  375720.4146  0.2492 -6.7280 3 1919.2743D84  595161404864047 2    863948 2      C-13-H3C(O)CH3
  375720.4146  0.2492 -6.7275 3 1919.2743D84  595161404863947 2    863848 2      C-13-H3C(O)CH3
  375721.7331  0.0114 -5.9245 3   51.4553232  5951614041412 2 2    13 9 4 2      C-13-H3C(O)CH3
  375722.5400  0.0137 -5.7540 3  371.7701600  595161404372116 0    371819 0      C-13-H3C(O)CH3
  375724.2233  0.0043 -4.9997 3   55.4134132  59516140416 610 3    15 511 3      C-13-H3C(O)CH3
  375724.7484  0.0058 -4.9997 3   55.4134132  59516140416 610 4    15 511 4      C-13-H3C(O)CH3
  375727.0514  0.2759 -6.7275 3 1919.2718D84  595161404863947 1    863848 1      C-13-H3C(O)CH3
  375727.0514  0.2759 -6.7275 3 1919.2718D84  595161404864047 1    863948 1      C-13-H3C(O)CH3
  375740.0136  0.0088 -6.4615 3  199.7283440  5951614042718 9 1    271314 1      C-13-H3C(O)CH3
  375741.4803  0.0043 -4.9996 3   55.4134132  59516140416 710 3    15 411 3      C-13-H3C(O)CH3
  375741.8195  0.0058 -4.9996 3   55.4134132  59516140416 710 4    15 411 4      C-13-H3C(O)CH3
  375744.9559  0.0087 -6.7733 3  199.7166220  5951614042718 9 4    271314 4      C-13-H3C(O)CH3
  375756.6333  0.2792 -6.7280 3 1919.2743D84  595161404863947 0    863848 0      C-13-H3C(O)CH3
  375756.6333  0.2792 -6.7281 3 1919.2743D84  595161404864047 0    863948 0      C-13-H3C(O)CH3
  375789.2530  0.0088 -6.4574 3  199.7240440  5951614042718 9 2    271314 2      C-13-H3C(O)CH3
  375835.6809  0.0164 -5.7540 3  371.7454600  595161404372116 1    371819 1      C-13-H3C(O)CH3
  375837.2747  0.0123 -5.7094 3   58.5089248  5951614041512 4 1    14 9 5 1      C-13-H3C(O)CH3
  375839.3382  0.0091 -6.4524 3  199.7357440  5951614042718 9 0    271314 0      C-13-H3C(O)CH3
  375914.0838  0.4312 -6.6514 3 1360.9403A32  5951614046463 2 1    6462 3 1      C-13-H3C(O)CH3
  375957.2279  0.0205 -6.2204 3  314.9963536  5951614043325 9 2    332212 2      C-13-H3C(O)CH3
  375964.2687  0.0096 -4.6380 3  610.2970872  595161404541044 0    541045 0      C-13-H3C(O)CH3
  375964.2687  0.0096 -4.6380 3  610.2970872  595161404541144 0    54 945 0      C-13-H3C(O)CH3
  375964.2687  0.0096 -5.3443 3  610.2970872  595161404541044 0    54 945 0      C-13-H3C(O)CH3
  375964.2687  0.0096 -5.3443 3  610.2970872  595161404541144 0    541045 0      C-13-H3C(O)CH3
  375970.4232  0.0136 -5.7264 3  610.2664872  595161404541144 2    541045 2      C-13-H3C(O)CH3
  375970.4232  0.0136 -4.5906 3  610.2664872  595161404541144 2    54 945 2      C-13-H3C(O)CH3
  375970.4232  0.0136 -4.6356 3  610.2664872  595161404541044 2    541045 2      C-13-H3C(O)CH3
  375970.4232  0.0136 -5.3559 3  610.2664872  595161404541044 2    54 945 2      C-13-H3C(O)CH3
  375970.8632  0.0138 -4.6454 3  610.2667872  595161404541144 1    541045 1      C-13-H3C(O)CH3
  375970.8632  0.0138 -5.3083 3  610.2667872  595161404541144 1    54 945 1      C-13-H3C(O)CH3
  375970.8632  0.0138 -4.6454 3  610.2667872  595161404541044 1    54 945 1      C-13-H3C(O)CH3
  375970.8632  0.0138 -5.3083 3  610.2667872  595161404541044 1    541045 1      C-13-H3C(O)CH3
  375973.9320  0.0363 -6.0522 3  502.7194348  595161404432419 3    422716 3      C-13-H3C(O)CH3
  375976.8413  0.0137 -4.9043 3  610.2360436  595161404541144 4    54 945 4      C-13-H3C(O)CH3
  375976.8413  0.0137 -5.8823 3  610.2360436  595161404541144 4    541045 4      C-13-H3C(O)CH3
  375976.8413  0.0137 -5.8823 3  610.2360436  595161404541044 4    54 945 4      C-13-H3C(O)CH3
  375976.8413  0.0137 -4.9043 3  610.2360436  595161404541044 4    541045 4      C-13-H3C(O)CH3
  375977.0335  0.0137 -5.4911 3  610.2360436  595161404541144 3    541045 3      C-13-H3C(O)CH3
  375977.0335  0.0137 -5.4911 3  610.2360436  595161404541044 3    54 945 3      C-13-H3C(O)CH3
  375977.0335  0.0137 -4.9768 3  610.2360436  595161404541044 3    541045 3      C-13-H3C(O)CH3
  375977.0335  0.0137 -4.9768 3  610.2360436  595161404541144 3    54 945 3      C-13-H3C(O)CH3
  376001.5010  0.0236 -6.3605 3  314.9963536  5951614043325 8 2    332212 2      C-13-H3C(O)CH3
  376013.1555  0.0049 -4.6975 3   55.3656264  59516140416 610 2    15 511 2      C-13-H3C(O)CH3
  376024.6247  0.0160 -5.9827 3  315.0166536  5951614043325 9 0    332212 0      C-13-H3C(O)CH3
  376031.0984  0.0049 -4.6974 3   55.3656264  59516140416 710 2    15 411 2      C-13-H3C(O)CH3
  376031.3726  0.0048 -4.6976 3   55.3665264  59516140416 610 1    15 511 1      C-13-H3C(O)CH3
  376033.9936  0.0023 -3.9295 3  235.7444292 -59516140436 333 3    35 432 3      C-13-H3C(O)CH3
  376033.9936  0.0023 -4.0116 3  235.7444292 -59516140436 433 4    35 332 4      C-13-H3C(O)CH3
  376033.9936  0.0023 -4.0116 3  235.7444292 -59516140436 333 4    35 432 4      C-13-H3C(O)CH3
  376033.9936  0.0023 -3.9295 3  235.7444292 -59516140436 433 3    35 332 3      C-13-H3C(O)CH3
  376034.0000  0.0023 -3.9520 3  235.7444292  59516140436 333 3    35 332 3      C-13-H3C(O)CH3
  376034.0000  0.0023 -3.9520 3  235.7444292  59516140436 433 3    35 432 3      C-13-H3C(O)CH3
  376034.0095  0.0023 -3.8795 3  235.7444292  59516140436 433 4    35 432 4      C-13-H3C(O)CH3
  376034.0095  0.0023 -3.8795 3  235.7444292  59516140436 333 4    35 332 4      C-13-H3C(O)CH3
  376048.7923  0.0048 -4.6976 3   55.3664264  59516140416 710 1    15 411 1      C-13-H3C(O)CH3
  376071.5232  0.0027 -3.8793 3  235.7210584  59516140436 333 1    35 332 1      C-13-H3C(O)CH3
  376071.5232  0.0027 -3.8793 3  235.7210584  59516140436 433 1    35 432 1      C-13-H3C(O)CH3
  376071.5586  0.0027 -3.4858 3  235.7210584 -59516140436 433 1    35 332 1      C-13-H3C(O)CH3
  376071.5586  0.0027 -3.3384 3  235.7205584 -59516140436 333 2    35 432 2      C-13-H3C(O)CH3
  376071.5586  0.0027 -3.4858 3  235.7210584 -59516140436 333 1    35 432 1      C-13-H3C(O)CH3
  376071.6968  0.0027 -3.3384 3  235.7205584  59516140436 433 2    35 332 2      C-13-H3C(O)CH3
  376102.7087  0.5579 -6.6511 3 1360.9477A32  5951614046463 2 0    6462 3 0      C-13-H3C(O)CH3
  376102.7087  0.5579 -6.6511 3 1360.9477A32  5951614046463 1 0    6462 2 0      C-13-H3C(O)CH3
  376109.1307  0.0022 -3.9150 3  235.6972584  59516140436 433 0    35 432 0      C-13-H3C(O)CH3
  376109.1307  0.0022 -3.9150 3  235.6972584  59516140436 333 0    35 332 0      C-13-H3C(O)CH3
  376109.1328  0.0022 -3.4721 3  235.6972584 -59516140436 333 0    35 432 0      C-13-H3C(O)CH3
  376109.1328  0.0022 -3.4721 3  235.6972584 -59516140436 433 0    35 332 0      C-13-H3C(O)CH3
  376111.9864  0.0329 -6.0580 3  502.7149348  595161404432419 4    422716 4      C-13-H3C(O)CH3
  376117.1480  0.4861 -6.5488 3 1595.8697B44  5951614047164 7 0    7163 9 0      C-13-H3C(O)CH3
  376117.1480  0.4861 -6.5488 3 1595.8697B44  5951614047164 8 0    7163 8 0      C-13-H3C(O)CH3
  376166.2974  0.3575 -6.5487 3 1595.8460B44  5951614047164 8 1    7163 9 1      C-13-H3C(O)CH3
  376173.7472  0.0066 -4.3304 3   80.6437296  5951614041810 8 2    17 9 9 2      C-13-H3C(O)CH3
  376181.8014  0.4430 -6.6512 3 1360.9875A32  5951614046463 1 1    6462 2 1      C-13-H3C(O)CH3
  376189.7012  0.3664 -6.5487 3 1595.8536B44  5951614047164 7 2    7163 8 2      C-13-H3C(O)CH3
  376195.1567  0.0064 -4.6324 3   80.6743148  5951614041810 8 3    17 9 9 3      C-13-H3C(O)CH3
  376201.5366  0.3684 -6.5487 3 1595.8628B44  5951614047164 7 1    7163 8 1      C-13-H3C(O)CH3
  376222.5086  0.4110 -6.6511 3 1360.9650A32  5951614046463 2 2    6462 3 2      C-13-H3C(O)CH3
  376228.9755  0.0090 -4.6325 3   80.6743148  5951614041810 8 4    17 9 9 4      C-13-H3C(O)CH3
  376252.3986  0.0137 -5.8517 3   58.5479124  5951614041512 4 3    14 9 5 3      C-13-H3C(O)CH3
  376257.6835  0.0361 -5.7507 3  502.7309696  595161404432419 2    422716 2      C-13-H3C(O)CH3
  376269.2578  0.0129 -5.7043 3   58.5042248  5951614041512 4 2    14 9 5 2      C-13-H3C(O)CH3
  376280.8600  0.3472 -6.5486 3 1595.8411B44  5951614047164 8 2    7163 9 2      C-13-H3C(O)CH3
  376295.8199  0.0063 -4.3297 3   80.6156296 -5951614041810 8 0    17 9 9 0      C-13-H3C(O)CH3
  376314.7190  0.0221 -5.7230 3  508.7415664  5951614044134 7 1    4035 5 1      C-13-H3C(O)CH3
  376315.2166  0.0996 -6.3650 3 1540.4017628  595161404783346 4    783247 4      C-13-H3C(O)CH3
  376315.2166  0.0996 -6.3650 3 1540.4017628  595161404783246 4    783147 4      C-13-H3C(O)CH3
  376315.2584  0.0996 -6.3473 3 1540.4017628  595161404783246 3    783247 3      C-13-H3C(O)CH3
  376315.2584  0.0996 -6.3473 3 1540.4017628  595161404783346 3    783147 3      C-13-H3C(O)CH3
  376319.5315  0.0049 -4.6964 3   55.3188264  59516140416 610 0    15 511 0      C-13-H3C(O)CH3
  376332.5569  0.0064 -4.3307 3   80.6461296  5951614041810 8 1    17 9 9 1      C-13-H3C(O)CH3
  376337.7245  0.0049 -4.6964 3   55.3188264  59516140416 710 0    15 411 0      C-13-H3C(O)CH3
  376347.5609  0.1119 -6.2463 3 1540.3838C56  595161404783246 1    783247 1      C-13-H3C(O)CH3
  376347.5609  0.1119 -6.4134 3 1540.3838C56  595161404783246 1    783147 1      C-13-H3C(O)CH3
  376347.5609  0.1119 -6.4134 3 1540.3838C56  595161404783346 1    783247 1      C-13-H3C(O)CH3
  376347.5609  0.1119 -6.2463 3 1540.3838C56  595161404783346 1    783147 1      C-13-H3C(O)CH3
  376349.3447  0.1065 -6.6740 3 1540.3868C56  595161404783246 2    783147 2      C-13-H3C(O)CH3
  376349.3447  0.1065 -6.1299 3 1540.3868C56  595161404783346 2    783147 2      C-13-H3C(O)CH3
  376349.3447  0.1065 -6.6740 3 1540.3868C56  595161404783346 2    783247 2      C-13-H3C(O)CH3
  376349.3447  0.1065 -6.1299 3 1540.3868C56  595161404783246 2    783247 2      C-13-H3C(O)CH3
  376364.6647  0.0226 -5.7221 3  508.7384664  5951614044134 7 0    4035 6 0      C-13-H3C(O)CH3
  376364.6647  0.0226 -5.7221 3  508.7384664  5951614044134 8 0    4035 5 0      C-13-H3C(O)CH3
  376381.6350  0.1151 -6.1954 3 1540.3689C56  595161404783346 0    783147 0      C-13-H3C(O)CH3
  376381.6350  0.1151 -6.5005 3 1540.3689C56  595161404783346 0    783247 0      C-13-H3C(O)CH3
  376381.6350  0.1151 -6.1954 3 1540.3689C56  595161404783246 0    783247 0      C-13-H3C(O)CH3
  376381.6350  0.1151 -6.5005 3 1540.3689C56  595161404783246 0    783147 0      C-13-H3C(O)CH3
  376386.4953  0.0127 -4.8373 3  577.6845428  59516140453 944 4    53 945 4      C-13-H3C(O)CH3
  376386.4953  0.0127 -4.8373 3  577.6845428  595161404531044 4    53 845 4      C-13-H3C(O)CH3
  376386.7696  0.0127 -4.8357 3  577.6845428  59516140453 944 3    53 845 3      C-13-H3C(O)CH3
  376386.7696  0.0127 -5.4129 3  577.6845428  595161404531044 3    53 945 3      C-13-H3C(O)CH3
  376386.7696  0.0127 -4.9688 3  577.6845428  595161404531044 3    53 845 3      C-13-H3C(O)CH3
  376416.4452  0.0134 -5.0839 3  577.7137856  59516140453 944 2    53 945 2      C-13-H3C(O)CH3
  376416.4452  0.0134 -4.6783 3  577.7137856  59516140453 944 2    53 845 2      C-13-H3C(O)CH3
  376416.4452  0.0134 -5.0839 3  577.7137856  595161404531044 2    53 845 2      C-13-H3C(O)CH3
  376416.4452  0.0134 -4.6783 3  577.7137856  595161404531044 2    53 945 2      C-13-H3C(O)CH3
  376416.8901  0.0136 -4.7748 3  577.7140856  595161404531044 1    53 845 1      C-13-H3C(O)CH3
  376416.8901  0.0136 -4.9059 3  577.7140856  59516140453 944 1    53 845 1      C-13-H3C(O)CH3
  376416.8901  0.0136 -4.9059 3  577.7140856  595161404531044 1    53 945 1      C-13-H3C(O)CH3
  376416.8901  0.0136 -4.7748 3  577.7140856  59516140453 944 1    53 945 1      C-13-H3C(O)CH3
  376446.4503  0.0097 -4.8848 3  577.7432856 -59516140453 944 0    53 845 0      C-13-H3C(O)CH3
  376446.4503  0.0097 -5.0822 3  577.7432856 -595161404531044 0    53 945 0      C-13-H3C(O)CH3
  376446.5334  0.0097 -4.6790 3  577.7432856  59516140453 944 0    53 945 0      C-13-H3C(O)CH3
  376446.5334  0.0097 -4.7910 3  577.7432856  595161404531044 0    53 845 0      C-13-H3C(O)CH3
  376463.7698  0.0372 -5.3172 3 1114.5775A96  595161404682345 0    682246 0      C-13-H3C(O)CH3
  376463.7698  0.0372 -5.3172 3 1114.5775A96  595161404682445 0    682346 0      C-13-H3C(O)CH3
  376463.7698  0.0372 -6.2568 3 1114.5775A96  595161404682345 0    682346 0      C-13-H3C(O)CH3
  376463.7698  0.0372 -6.2568 3 1114.5775A96  595161404682445 0    682246 0      C-13-H3C(O)CH3
  376463.9653  0.4626 -6.6508 3 1360.9829A32  5951614046463 1 2    6462 2 2      C-13-H3C(O)CH3
  376503.9115  0.0416 -6.2434 3 1114.5909A96  595161404682345 1    682346 1      C-13-H3C(O)CH3
  376503.9115  0.0416 -5.3187 3 1114.5909A96  595161404682345 1    682246 1      C-13-H3C(O)CH3
  376503.9115  0.0416 -5.3187 3 1114.5909A96  595161404682445 1    682346 1      C-13-H3C(O)CH3
  376503.9115  0.0416 -6.2434 3 1114.5909A96  595161404682445 1    682246 1      C-13-H3C(O)CH3
  376508.5349  0.0462 -5.4578 3 1114.5916A96  595161404682345 2    682346 2      C-13-H3C(O)CH3
  376508.5349  0.0462 -5.7242 3 1114.5916A96  595161404682345 2    682246 2      C-13-H3C(O)CH3
  376508.5349  0.0462 -5.7242 3 1114.5916A96  595161404682445 2    682346 2      C-13-H3C(O)CH3
  376508.5349  0.0462 -5.4578 3 1114.5916A96  595161404682445 2    682246 2      C-13-H3C(O)CH3
  376521.1962  0.0127 -6.2111 3   58.5479124  5951614041512 3 3    14 9 5 3      C-13-H3C(O)CH3
  376527.4990  0.0231 -5.7478 3  502.7300696  595161404432419 1    422716 1      C-13-H3C(O)CH3
  376548.7590  0.0388 -5.9639 3 1114.6050548  595161404682345 3    682346 3      C-13-H3C(O)CH3
  376548.7590  0.0388 -5.9639 3 1114.6050548  595161404682445 3    682246 3      C-13-H3C(O)CH3
  376548.7590  0.0388 -5.7959 3 1114.6050548  595161404682345 3    682246 3      C-13-H3C(O)CH3
  376548.7590  0.0388 -5.7959 3 1114.6050548  595161404682445 3    682346 3      C-13-H3C(O)CH3
  376548.8796  0.0389 -5.6048 3 1114.6050548  595161404682345 4    682246 4      C-13-H3C(O)CH3
  376548.8796  0.0389 -5.6048 3 1114.6050548  595161404682445 4    682346 4      C-13-H3C(O)CH3
  376548.8796  0.0389 -6.6942 3 1114.6050548  595161404682345 4    682346 4      C-13-H3C(O)CH3
  376548.8796  0.0389 -6.6942 3 1114.6050548  595161404682445 4    682246 4      C-13-H3C(O)CH3
  376566.7533  0.0183 -5.6700 3  490.1827680  595161404422716 0    422419 0      C-13-H3C(O)CH3
  376572.2268  0.0255 -6.0244 3  508.7363332  5951614044134 7 4    4035 5 4      C-13-H3C(O)CH3
  376601.8493  0.0199 -6.7306 3  205.8568424  5951614042623 3 1    2620 6 1      C-13-H3C(O)CH3
  376603.0802  0.0252 -5.7221 3  508.6961664  5951614044134 8 1    4035 6 1      C-13-H3C(O)CH3
  376621.3149  0.0221 -5.7224 3  508.7333664  5951614044134 7 2    4035 5 2      C-13-H3C(O)CH3
  376646.3123  0.0110 -5.2596 3   66.1609264  5951614041612 5 1    15 9 6 1      C-13-H3C(O)CH3
  376678.8464  0.0079 -4.7041 3  298.9173536  595161404332113 2    322210 2      C-13-H3C(O)CH3
  376705.5083  0.0262 -6.0230 3  508.7116332  5951614044134 7 3    4035 5 3      C-13-H3C(O)CH3
  376744.1361  0.0258 -5.7444 3  502.7436696  595161404432419 0    422716 0      C-13-H3C(O)CH3
  376753.8028  0.0067 -4.7026 3  298.9371536  595161404332113 0    322210 0      C-13-H3C(O)CH3
  376755.9704  0.0233 -5.7210 3  508.7084664  5951614044134 8 2    4035 6 2      C-13-H3C(O)CH3
  376758.0993  0.0174 -5.6710 3  490.1627680  595161404422716 1    422419 1      C-13-H3C(O)CH3
  376769.6803  0.0121 -5.1481 3  545.7217420  59516140452 844 4    52 845 4      C-13-H3C(O)CH3
  376769.6803  0.0121 -5.1481 3  545.7217420  59516140452 944 4    52 745 4      C-13-H3C(O)CH3
  376769.6803  0.0121 -5.0889 3  545.7217420  59516140452 944 4    52 845 4      C-13-H3C(O)CH3
  376769.6803  0.0121 -5.0889 3  545.7217420  59516140452 844 4    52 745 4      C-13-H3C(O)CH3
  376770.0298  0.0120 -4.8165 3  545.7218420  59516140452 844 3    52 845 3      C-13-H3C(O)CH3
  376770.0298  0.0120 -4.8165 3  545.7218420  59516140452 944 3    52 745 3      C-13-H3C(O)CH3
  376770.3002  0.0034 -5.1786 3  116.8612172  5951614042114 8 4    2013 8 4      C-13-H3C(O)CH3
  376772.4478  0.0127 -5.0409 3  298.8935268  595161404332113 3    322210 3      C-13-H3C(O)CH3
  376813.6925  0.0099 -5.0191 3  298.8921268  595161404332113 4    322210 4      C-13-H3C(O)CH3
  376843.1157  0.0198 -6.7292 3  205.8307424  5951614042623 4 2    2620 7 2      C-13-H3C(O)CH3
  376844.2098  0.0131 -5.5914 3  545.7480840  59516140452 844 2    52 745 2      C-13-H3C(O)CH3
  376844.2098  0.0131 -4.5533 3  545.7480840  59516140452 844 2    52 845 2      C-13-H3C(O)CH3
  376844.2098  0.0131 -5.5914 3  545.7480840  59516140452 944 2    52 845 2      C-13-H3C(O)CH3
  376844.2098  0.0131 -4.5533 3  545.7480840  59516140452 944 2    52 745 2      C-13-H3C(O)CH3
  376844.6065  0.0133 -4.5170 3  545.7484840  59516140452 844 1    52 845 1      C-13-H3C(O)CH3
  376844.6065  0.0133 -4.5170 3  545.7484840  59516140452 944 1    52 745 1      C-13-H3C(O)CH3
  376858.9489  0.0271 -6.0234 3  508.6910332  5951614044134 8 3    4035 6 3      C-13-H3C(O)CH3
  376865.7072  0.0078 -4.7278 3  298.9128536  595161404332113 1    322210 1      C-13-H3C(O)CH3
  376889.4642  0.0090 -5.3778 3   66.1978132  5951614041612 5 3    15 9 6 3      C-13-H3C(O)CH3
  376908.6510  0.0186 -6.7339 3  205.8645424  5951614042623 3 2    2620 6 2      C-13-H3C(O)CH3
  376918.6901  0.0101 -4.8829 3  545.7746840  59516140452 944 0    52 745 0      C-13-H3C(O)CH3
  376918.6901  0.0101 -4.8829 3  545.7746840  59516140452 844 0    52 845 0      C-13-H3C(O)CH3
  376918.6907  0.0101 -4.7583 3  545.7746840 -59516140452 944 0    52 845 0      C-13-H3C(O)CH3
  376918.6907  0.0101 -4.7583 3  545.7746840 -59516140452 844 0    52 745 0      C-13-H3C(O)CH3
  376932.7594  0.0193 -5.6737 3  490.1577680  595161404422716 2    422419 2      C-13-H3C(O)CH3
  376962.6137  0.0019 -4.0272 3  187.1424220 -595161404271314 3    261413 3      C-13-H3C(O)CH3
  376963.3416  0.0019 -4.0272 3  187.1425220 -595161404271314 4    261413 4      C-13-H3C(O)CH3
  376977.4593  0.0295 -5.5569 3  343.8639568  595161404352412 2    3425 9 2      C-13-H3C(O)CH3
  376991.6711  0.0295 -6.0221 3  508.6661332  5951614044134 8 4    4035 6 4      C-13-H3C(O)CH3
  377014.5982  0.0197 -6.7272 3  205.8149424  5951614042623 4 1    2620 7 1      C-13-H3C(O)CH3
  377017.3002  0.0026 -5.3325 3  116.8546344  5951614042114 8 1    2013 8 1      C-13-H3C(O)CH3
  377021.1166  0.3801 -6.7633 3 1781.8738C24  595161404766511 2    766412 2      C-13-H3C(O)CH3
  377044.2650  0.0021 -3.7262 3  187.1514440 -595161404271314 1    261413 1      C-13-H3C(O)CH3
  377049.6856  0.0020 -3.7265 3  187.1470440 -595161404271314 2    261413 2      C-13-H3C(O)CH3
  377056.2498  0.0166 -5.9788 3  490.1377340  595161404422716 4    422419 4      C-13-H3C(O)CH3
  377071.9295  0.0024 -5.5561 3  116.8539344  5951614042114 8 2    2013 8 2      C-13-H3C(O)CH3
  377071.9537  0.5394 -6.7632 3 1781.9046C24  595161404766512 0    766412 0      C-13-H3C(O)CH3
  377071.9537  0.5394 -6.7632 3 1781.9046C24  595161404766511 0    766413 0      C-13-H3C(O)CH3
  377092.5411  0.0114 -5.2502 3   66.1543264  5951614041612 5 2    15 9 6 2      C-13-H3C(O)CH3
  377104.6713  0.4032 -6.7632 3 1781.8737C24  595161404766511 1    766412 1      C-13-H3C(O)CH3
  377126.7511  0.0121 -4.9026 3  514.3489412  59516140451 744 4    51 645 4      C-13-H3C(O)CH3
  377126.7511  0.0121 -5.5038 3  514.3489412  59516140451 744 4    51 745 4      C-13-H3C(O)CH3
  377126.7511  0.0121 -5.5038 3  514.3489412  59516140451 844 4    51 645 4      C-13-H3C(O)CH3
  377126.7511  0.0121 -4.9026 3  514.3489412  59516140451 844 4    51 745 4      C-13-H3C(O)CH3
  377127.1572  0.0118 -5.2851 3  514.3489412  59516140451 744 3    51 645 3      C-13-H3C(O)CH3
  377127.1572  0.0118 -4.9804 3  514.3489412  59516140451 744 3    51 745 3      C-13-H3C(O)CH3
  377127.1572  0.0118 -5.2851 3  514.3489412  59516140451 844 3    51 745 3      C-13-H3C(O)CH3
  377127.1572  0.0118 -4.9804 3  514.3489412  59516140451 844 3    51 645 3      C-13-H3C(O)CH3
  377130.9828  0.0019 -3.7266 3  187.1560440 -595161404271314 0    261413 0      C-13-H3C(O)CH3
  377133.8538  0.0110 -4.8814 3  343.8789568  595161404352412 0    3425 9 0      C-13-H3C(O)CH3
  377135.4764  0.0025 -3.9338 3  238.7829300  59516140437 335 3    36 334 3      C-13-H3C(O)CH3
  377135.4764  0.0025 -3.9338 3  238.7829300  59516140437 235 3    36 234 3      C-13-H3C(O)CH3
  377135.4940  0.0025 -3.6453 3  238.7829300 -59516140437 335 4    36 234 4      C-13-H3C(O)CH3
  377135.4940  0.0025 -3.8973 3  238.7829300 -59516140437 335 3    36 234 3      C-13-H3C(O)CH3
  377135.4940  0.0025 -4.7747 3  238.7829300 -59516140437 235 4    36 234 4      C-13-H3C(O)CH3
  377135.4940  0.0025 -3.8973 3  238.7829300 -59516140437 235 3    36 334 3      C-13-H3C(O)CH3
  377135.4949  0.0025 -3.6453 3  238.7829300  59516140437 235 4    36 334 4      C-13-H3C(O)CH3
  377135.4949  0.0025 -4.7747 3  238.7829300  59516140437 335 4    36 334 4      C-13-H3C(O)CH3
  377148.1873  0.0019 -3.9479 3  195.8989228 -595161404281216 4    271315 4      C-13-H3C(O)CH3
  377148.1873  0.0019 -3.9479 3  195.8988228 -595161404281216 3    271315 3      C-13-H3C(O)CH3
  377165.4885  0.0028 -3.3339 3  238.7482600  59516140437 235 1    36 234 1      C-13-H3C(O)CH3
  377165.4885  0.0028 -3.3339 3  238.7482600  59516140437 335 1    36 334 1      C-13-H3C(O)CH3
  377165.4893  0.0027 -3.4191 3  238.7477600 -59516140437 235 2    36 334 2      C-13-H3C(O)CH3
  377165.4893  0.0027 -3.4191 3  238.7477600 -59516140437 335 2    36 234 2      C-13-H3C(O)CH3
  377165.4893  0.0028 -4.6408 3  238.7482600 -59516140437 235 1    36 334 1      C-13-H3C(O)CH3
  377165.4893  0.0028 -4.6408 3  238.7482600 -59516140437 335 1    36 234 1      C-13-H3C(O)CH3
  377165.5898  0.0027 -3.9771 3  238.7477600  59516140437 335 2    36 334 2      C-13-H3C(O)CH3
  377165.5898  0.0027 -3.9771 3  238.7477600  59516140437 235 2    36 234 2      C-13-H3C(O)CH3
  377166.2946  0.0019 -3.9479 3  195.8984228  595161404281316 4    271215 4      C-13-H3C(O)CH3
  377166.5662  0.0019 -3.9479 3  195.8983228  595161404281316 3    271215 3      C-13-H3C(O)CH3
  377172.3435  0.0329 -5.8574 3  343.8321284  595161404352412 3    3425 9 3      C-13-H3C(O)CH3
  377186.4426  0.3893 -6.7630 3 1781.8619C24  595161404766512 2    766413 2      C-13-H3C(O)CH3
  377188.5826  0.0194 -5.9722 3  490.1377340  595161404422716 3    422419 3      C-13-H3C(O)CH3
  377195.4993  0.0023 -6.1321 3  238.7131600 -59516140437 335 0    36 334 0      C-13-H3C(O)CH3
  377195.4993  0.0023 -3.3136 3  238.7131600 -59516140437 235 0    36 334 0      C-13-H3C(O)CH3
  377195.5251  0.0023 -3.3136 3  238.7131600  59516140437 335 0    36 234 0      C-13-H3C(O)CH3
  377195.5251  0.0023 -6.1321 3  238.7131600  59516140437 235 0    36 234 0      C-13-H3C(O)CH3
  377197.5220  0.0863 -6.0927 3  608.0551380  595161404472819 3    472522 3      C-13-H3C(O)CH3
  377207.5192  0.4962 -6.5335 3 1562.6234B28  5951614047064 7 0    7063 8 0      C-13-H3C(O)CH3
  377207.5192  0.4962 -6.5335 3 1562.6234B28  5951614047064 6 0    7063 7 0      C-13-H3C(O)CH3
  377209.1965  0.3908 -6.7630 3 1781.8684C24  595161404766512 1    766413 1      C-13-H3C(O)CH3
  377209.4975  0.0131 -4.9834 3  343.8561568  595161404352412 2    342510 2      C-13-H3C(O)CH3
  377212.3882  0.0855 -6.0928 3  608.0551380  595161404472819 4    472522 4      C-13-H3C(O)CH3
  377217.8100  0.0021 -3.6469 3  195.9090456 -595161404281216 1    271315 1      C-13-H3C(O)CH3
  377220.3472  0.0352 -5.8361 3  343.8305284  595161404352412 4    3425 9 4      C-13-H3C(O)CH3
  377223.9026  0.3702 -6.5335 3 1562.6026B28  5951614047064 7 1    7063 8 1      C-13-H3C(O)CH3
  377225.9148  0.0021 -3.6471 3  195.9058456 -595161404281216 2    271315 2      C-13-H3C(O)CH3
  377230.6564  0.2264 -6.7757 3 1868.3585D68  595161404853847 2    853848 2      C-13-H3C(O)CH3
  377230.6564  0.2264 -6.7749 3 1868.3585D68  595161404853947 2    853748 2      C-13-H3C(O)CH3
  377235.7616  0.0021 -3.6469 3  195.9085456 -595161404281316 1    271215 1      C-13-H3C(O)CH3
  377236.3148  0.2509 -6.6291 3 1868.3556D68  595161404853847 1    853748 1      C-13-H3C(O)CH3
  377236.3148  0.2509 -6.6291 3 1868.3556D68  595161404853947 1    853848 1      C-13-H3C(O)CH3
  377236.8496  0.0350 -5.2016 3 1073.8787A80  595161404672245 0    672246 0      C-13-H3C(O)CH3
  377236.8496  0.0350 -5.2016 3 1073.8787A80  595161404672345 0    672146 0      C-13-H3C(O)CH3
  377244.4798  0.0021 -3.6470 3  195.9053456 -595161404281316 2    271215 2      C-13-H3C(O)CH3
  377254.7746  0.0125 -5.8587 3  514.3701824  59516140451 844 2    51 645 2      C-13-H3C(O)CH3
  377254.7746  0.0125 -4.5238 3  514.3701824  59516140451 844 2    51 745 2      C-13-H3C(O)CH3
  377254.7746  0.0125 -4.5238 3  514.3701824  59516140451 744 2    51 645 2      C-13-H3C(O)CH3
  377254.7746  0.0125 -5.8587 3  514.3701824  59516140451 744 2    51 745 2      C-13-H3C(O)CH3
  377255.0905  0.0128 -5.1573 3  514.3705824  59516140451 844 1    51 645 1      C-13-H3C(O)CH3
  377255.0905  0.0128 -5.1573 3  514.3705824  59516140451 744 1    51 745 1      C-13-H3C(O)CH3
  377255.4031  0.0128 -4.6134 3  514.3705824 -59516140451 744 1    51 645 1      C-13-H3C(O)CH3
  377255.4031  0.0128 -4.6134 3  514.3705824 -59516140451 844 1    51 745 1      C-13-H3C(O)CH3
  377269.2841  0.2541 -6.6532 3 1868.3558D68  595161404853947 0    853848 0      C-13-H3C(O)CH3
  377269.2841  0.2541 -6.6343 3 1868.3558D68  595161404853847 0    853748 0      C-13-H3C(O)CH3
  377287.9171  0.0400 -5.7764 3 1073.8893A80  595161404672245 1    672146 1      C-13-H3C(O)CH3
  377287.9171  0.0400 -5.3358 3 1073.8893A80  595161404672245 1    672246 1      C-13-H3C(O)CH3
  377287.9171  0.0400 -5.3358 3 1073.8893A80  595161404672345 1    672146 1      C-13-H3C(O)CH3
  377287.9171  0.0400 -5.7764 3 1073.8893A80  595161404672345 1    672246 1      C-13-H3C(O)CH3
  377292.1892  0.0439 -5.4118 3 1073.8898A80  595161404672245 2    672246 2      C-13-H3C(O)CH3
  377292.1892  0.0439 -5.6172 3 1073.8898A80  595161404672345 2    672246 2      C-13-H3C(O)CH3
  377292.1892  0.0439 -5.4118 3 1073.8898A80  595161404672345 2    672146 2      C-13-H3C(O)CH3
  377292.1892  0.0439 -5.6172 3 1073.8898A80  595161404672245 2    672146 2      C-13-H3C(O)CH3
  377295.2760  0.0019 -3.6471 3  195.9160456 -595161404281216 0    271315 0      C-13-H3C(O)CH3
  377299.0059  0.3785 -6.5335 3 1562.6228B28  5951614047064 6 1    7063 7 1      C-13-H3C(O)CH3
  377313.5120  0.0019 -3.6470 3  195.9155456 -595161404281316 0    271215 0      C-13-H3C(O)CH3
  377324.7096  0.3801 -6.5334 3 1562.6124B28  5951614047064 6 2    7063 7 2      C-13-H3C(O)CH3
  377331.8734  0.0140 -5.0703 3  343.8472568  595161404352412 1    3425 9 1      C-13-H3C(O)CH3
  377343.3477  0.0358 -5.5237 3 1073.9004540  595161404672245 3    672246 3      C-13-H3C(O)CH3
  377343.3477  0.0358 -5.5237 3 1073.9004540  595161404672345 3    672146 3      C-13-H3C(O)CH3
  377343.4862  0.0359 -6.0536 3 1073.9004540  595161404672345 4    672246 4      C-13-H3C(O)CH3
  377343.4862  0.0359 -5.6456 3 1073.9004540  595161404672345 4    672146 4      C-13-H3C(O)CH3
  377343.4862  0.0359 -5.6456 3 1073.9004540  595161404672245 4    672246 4      C-13-H3C(O)CH3
  377343.4862  0.0359 -6.0536 3 1073.9004540  595161404672245 4    672146 4      C-13-H3C(O)CH3
  377377.0703  0.3572 -6.5333 3 1562.6005B28  5951614047064 7 2    7063 8 2      C-13-H3C(O)CH3
  377382.4650  0.0103 -5.2551 3  514.3918824 -59516140451 744 0    51 645 0      C-13-H3C(O)CH3
  377382.4650  0.0103 -5.2551 3  514.3918824 -59516140451 844 0    51 745 0      C-13-H3C(O)CH3
  377382.5263  0.0103 -4.5887 3  514.3918824  59516140451 844 0    51 645 0      C-13-H3C(O)CH3
  377382.5263  0.0103 -4.5887 3  514.3918824  59516140451 744 0    51 745 0      C-13-H3C(O)CH3
  377384.6615  0.0148 -5.3326 3  343.8455568  595161404352412 1    342510 1      C-13-H3C(O)CH3
  377401.9624  0.0156 -5.2898 3  343.8244284  595161404352412 4    342510 4      C-13-H3C(O)CH3
  377449.4007  0.0193 -6.0841 3  641.4537792  595161404492524 0    482821 0      C-13-H3C(O)CH3
  377451.9017  0.0224 -6.0837 3  641.4430792  595161404492524 1    482821 1      C-13-H3C(O)CH3
  377454.4830  0.0149 -5.2843 3  343.8227284  595161404352412 3    342510 3      C-13-H3C(O)CH3
  377458.0497  0.0129 -4.8049 3  483.5669404  59516140450 644 4    50 545 4      C-13-H3C(O)CH3
  377458.0497  0.0129 -4.8049 3  483.5669404  59516140450 744 4    50 645 4      C-13-H3C(O)CH3
  377458.4775  0.0125 -5.4333 3  483.5668404  59516140450 644 3    50 645 3      C-13-H3C(O)CH3
  377458.4775  0.0125 -4.9212 3  483.5668404  59516140450 644 3    50 545 3      C-13-H3C(O)CH3
  377458.4775  0.0125 -5.4333 3  483.5668404  59516140450 744 3    50 545 3      C-13-H3C(O)CH3
  377458.4775  0.0125 -4.9212 3  483.5668404  59516140450 744 3    50 645 3      C-13-H3C(O)CH3
  377461.3778  0.0890 -6.3725 3 1493.9870620  595161404773246 4    773047 4      C-13-H3C(O)CH3
  377461.3778  0.0890 -6.3725 3 1493.9870620  595161404773146 4    773147 4      C-13-H3C(O)CH3
  377461.4073  0.0890 -6.2497 3 1493.9869620  595161404773146 3    773047 3      C-13-H3C(O)CH3
  377461.4073  0.0890 -6.2497 3 1493.9869620  595161404773246 3    773147 3      C-13-H3C(O)CH3
  377467.7812  0.0209 -6.7314 3  205.8703424  5951614042623 3 0    2620 6 0      C-13-H3C(O)CH3
  377469.7809  0.0838 -5.7934 3  608.0694760  595161404472819 2    472522 2      C-13-H3C(O)CH3
  377478.3471  0.0209 -6.7314 3  205.8699424  5951614042623 4 0    2620 7 0      C-13-H3C(O)CH3
  377489.1693  0.0963 -5.9565 3 1493.9675C40  595161404773246 1    773047 1      C-13-H3C(O)CH3
  377489.1693  0.0963 -5.9565 3 1493.9675C40  595161404773146 1    773147 1      C-13-H3C(O)CH3
  377491.8464  0.0936 -5.9362 3 1493.9703C40  595161404773146 2    773147 2      C-13-H3C(O)CH3
  377491.8464  0.0936 -5.9362 3 1493.9703C40  595161404773246 2    773047 2      C-13-H3C(O)CH3
  377492.0728  0.0240 -6.3827 3  641.4291396  595161404492524 3    482821 3      C-13-H3C(O)CH3
  377493.0854  0.0228 -6.0821 3  641.4397792  595161404492524 2    482821 2      C-13-H3C(O)CH3
  377496.9325  0.0242 -6.3827 3  641.4290396  595161404492524 4    482821 4      C-13-H3C(O)CH3
  377519.6075  0.0994 -5.9460 3 1493.9509C40  595161404773246 0    773047 0      C-13-H3C(O)CH3
  377519.6075  0.0994 -5.9746 3 1493.9509C40  595161404773246 0    773147 0      C-13-H3C(O)CH3
  377554.4612  0.0085 -6.6602 3   66.1978132  5951614041612 4 3    15 9 6 3      C-13-H3C(O)CH3
  377645.6250  0.0020 -3.8907 3  204.0030236 -595161404291118 3    281217 3      C-13-H3C(O)CH3
  377645.6250  0.0020 -3.8907 3  204.0030236 -595161404291118 4    281217 4      C-13-H3C(O)CH3
  377645.9786  0.0020 -3.8907 3  204.0029236 -595161404291218 3    281117 3      C-13-H3C(O)CH3
  377645.9786  0.0020 -3.8907 3  204.0030236 -595161404291218 4    281117 4      C-13-H3C(O)CH3
  377649.1271  0.0119 -4.5048 3  483.5809808 -59516140450 644 2    50 645 2      C-13-H3C(O)CH3
  377649.1587  0.0119 -4.5048 3  483.5809808  59516140450 744 2    50 545 2      C-13-H3C(O)CH3
  377649.3879  0.0125 -5.2969 3  483.5813808  59516140450 644 1    50 545 1      C-13-H3C(O)CH3
  377649.3879  0.0125 -4.5794 3  483.5813808  59516140450 644 1    50 645 1      C-13-H3C(O)CH3
  377649.3879  0.0125 -5.2969 3  483.5813808  59516140450 744 1    50 645 1      C-13-H3C(O)CH3
  377649.3879  0.0125 -4.5794 3  483.5813808  59516140450 744 1    50 545 1      C-13-H3C(O)CH3
  377684.9670  0.0141 -5.0952 3  392.7491600  595161404372711 0    3628 8 0      C-13-H3C(O)CH3
  377696.8209  0.0141 -5.0952 3  392.7491600  595161404372710 0    3628 9 0      C-13-H3C(O)CH3
  377708.6571  0.0023 -3.5897 3  204.0134472 -595161404291118 1    281217 1      C-13-H3C(O)CH3
  377708.6571  0.0023 -3.5897 3  204.0134472 -595161404291218 1    281117 1      C-13-H3C(O)CH3
  377713.5951  0.0022 -3.5898 3  204.0110472 -595161404291118 2    281217 2      C-13-H3C(O)CH3
  377713.5951  0.0022 -3.5898 3  204.0110472 -595161404291218 2    281117 2      C-13-H3C(O)CH3
  377721.4471  0.0129 -6.4463 3  298.8619268  595161404332113 4    322211 4      C-13-H3C(O)CH3
  377741.6600  0.0144 -5.0944 3  392.7260600  595161404372711 2    3628 9 2      C-13-H3C(O)CH3
  377749.3214  0.0428 -5.7942 3  608.0727760  595161404472819 1    472522 1      C-13-H3C(O)CH3
  377752.7979  0.0018 -4.0249 3  187.1219220  595161404271414 4    261313 4      C-13-H3C(O)CH3
  377754.8460  0.0019 -4.0249 3  187.1218220  595161404271414 3    261313 3      C-13-H3C(O)CH3
  377756.5990  0.0119 -6.0837 3  298.8607268  595161404332113 3    322211 3      C-13-H3C(O)CH3
  377759.6118  0.0113 -6.1414 3   51.2864116  5951614041412 3 4    13 9 5 4      C-13-H3C(O)CH3
  377762.0719  0.0057 -5.6316 3   39.5811124  59516140415 312 3    14 213 3      C-13-H3C(O)CH3
  377762.0755  0.0057 -5.6316 3   39.5811124  59516140415 412 3    14 113 3      C-13-H3C(O)CH3
  377762.4175  0.0071 -5.6316 3   39.5811124  59516140415 312 4    14 213 4      C-13-H3C(O)CH3
  377762.4211  0.0071 -5.6316 3   39.5811124  59516140415 412 4    14 113 4      C-13-H3C(O)CH3
  377763.9147  0.0149 -4.8226 3  453.3767396  59516140449 544 4    49 445 4      C-13-H3C(O)CH3
  377763.9147  0.0149 -4.8226 3  453.3767396  59516140449 644 4    49 545 4      C-13-H3C(O)CH3
  377763.9147  0.0149 -6.7393 3  453.3767396  59516140449 644 4    49 445 4      C-13-H3C(O)CH3
  377763.9147  0.0149 -6.7393 3  453.3767396  59516140449 544 4    49 545 4      C-13-H3C(O)CH3
  377764.3080  0.0143 -4.8574 3  453.3767396  59516140449 644 3    49 545 3      C-13-H3C(O)CH3
  377764.3080  0.0143 -5.8724 3  453.3767396  59516140449 644 3    49 445 3      C-13-H3C(O)CH3
  377764.3080  0.0143 -4.8574 3  453.3767396  59516140449 544 3    49 445 3      C-13-H3C(O)CH3
  377764.3080  0.0143 -5.8724 3  453.3767396  59516140449 544 3    49 545 3      C-13-H3C(O)CH3
  377776.3246  0.0020 -3.5897 3  204.0214472 -595161404291118 0    281217 0      C-13-H3C(O)CH3
  377776.3246  0.0020 -3.5897 3  204.0214472 -595161404291218 0    281117 0      C-13-H3C(O)CH3
  377791.7590  0.0112 -4.8796 3  343.8784568  595161404352411 0    342510 0      C-13-H3C(O)CH3
  377800.2498  0.0135 -4.9823 3  343.8639568  595161404352411 2    3425 9 2      C-13-H3C(O)CH3
  377806.9763  0.0089 -5.9490 3  298.8814536  595161404332113 1    322211 1      C-13-H3C(O)CH3
  377833.0894  0.0021 -3.7239 3  187.1308440 -595161404271414 1    261313 1      C-13-H3C(O)CH3
  377839.7605  0.0105 -5.1312 3  483.5953808 -59516140450 744 0    50 645 0      C-13-H3C(O)CH3
  377839.7605  0.0105 -5.1312 3  483.5953808 -59516140450 644 0    50 545 0      C-13-H3C(O)CH3
  377839.7746  0.0105 -4.6191 3  483.5953808  59516140450 644 0    50 645 0      C-13-H3C(O)CH3
  377839.7746  0.0105 -4.6191 3  483.5953808  59516140450 744 0    50 545 0      C-13-H3C(O)CH3
  377861.5036  0.0021 -3.7242 3  187.1258440 -595161404271414 2    261313 2      C-13-H3C(O)CH3
  377867.8566  0.0098 -5.3984 3   58.4636248  5951614041512 4 0    14 9 5 0      C-13-H3C(O)CH3
  377886.3193  0.0147 -5.0954 3  392.7223600  595161404372710 1    3628 8 1      C-13-H3C(O)CH3
  377928.2338  0.0143 -5.0948 3  392.7097600  595161404372711 1    3628 9 1      C-13-H3C(O)CH3
  377934.6020  0.0159 -5.3957 3  392.6991300  595161404372711 3    3628 8 3      C-13-H3C(O)CH3
  377939.9528  0.0020 -3.7243 3  187.1348440 -595161404271414 0    261313 0      C-13-H3C(O)CH3
  377962.1897  0.0096 -6.6733 3  216.3629228  5951614042819 9 3    281414 3      C-13-H3C(O)CH3
  377976.1897  0.0329 -5.1686 3 1033.7548A64  595161404662245 0    662046 0      C-13-H3C(O)CH3
  377976.1897  0.0329 -6.2656 3 1033.7548A64  595161404662245 0    662146 0      C-13-H3C(O)CH3
  377976.1897  0.0329 -6.2656 3 1033.7548A64  595161404662145 0    662046 0      C-13-H3C(O)CH3
  377976.1897  0.0329 -5.1686 3 1033.7548A64  595161404662145 0    662146 0      C-13-H3C(O)CH3
  377979.3974  0.0164 -5.3949 3  392.6864300  595161404372711 4    3628 9 4      C-13-H3C(O)CH3
  377981.3035  0.0147 -5.0946 3  392.7380600  595161404372710 2    3628 8 2      C-13-H3C(O)CH3
  377981.4925  0.0143 -5.3302 3  343.8472568  595161404352411 1    3425 9 1      C-13-H3C(O)CH3
  377994.9734  0.0187 -5.6599 3  472.8454680  595161404422320 0    412417 0      C-13-H3C(O)CH3
  377996.8188  0.0150 -5.2827 3  343.8321284  595161404352411 3    3425 9 3      C-13-H3C(O)CH3
  378018.2634  0.0449 -5.7959 3  608.0869760  595161404472819 0    472522 0      C-13-H3C(O)CH3
  378028.3414  0.0122 -4.5556 3  453.3809792  59516140449 544 2    49 545 2      C-13-H3C(O)CH3
  378028.3414  0.0122 -4.5556 3  453.3809792  59516140449 644 2    49 445 2      C-13-H3C(O)CH3
  378028.5104  0.0134 -5.7986 3  453.3813792  59516140449 644 1    49 545 1      C-13-H3C(O)CH3
  378028.5104  0.0134 -5.7986 3  453.3813792  59516140449 544 1    49 445 1      C-13-H3C(O)CH3
  378028.5296  0.0122 -5.5699 3  453.3809792 -59516140449 644 2    49 545 2      C-13-H3C(O)CH3
  378028.5296  0.0134 -4.5388 3  453.3813792 -59516140449 544 1    49 545 1      C-13-H3C(O)CH3
  378028.5296  0.0122 -5.5699 3  453.3809792 -59516140449 544 2    49 445 2      C-13-H3C(O)CH3
  378028.5296  0.0134 -4.5388 3  453.3813792 -59516140449 644 1    49 445 1      C-13-H3C(O)CH3
  378032.2880  0.0272 -5.5536 3  343.8561568  595161404352411 2    342510 2      C-13-H3C(O)CH3
  378034.2806  0.0149 -5.0689 3  343.8455568  595161404352411 1    342510 1      C-13-H3C(O)CH3
  378037.4032  0.0205 -5.6596 3  472.8228680  595161404422320 1    412417 1      C-13-H3C(O)CH3
  378037.8616  0.0382 -5.1447 3 1033.7622A64  595161404662145 1    662146 1      C-13-H3C(O)CH3
  378037.8616  0.0382 -6.7935 3 1033.7622A64  595161404662145 1    662046 1      C-13-H3C(O)CH3
  378037.8616  0.0382 -6.7935 3 1033.7622A64  595161404662245 1    662146 1      C-13-H3C(O)CH3
  378037.8616  0.0382 -5.1447 3 1033.7622A64  595161404662245 1    662046 1      C-13-H3C(O)CH3
  378038.6532  0.0211 -4.6969 3  119.3254172  5951614042115 7 4    2014 6 4      C-13-H3C(O)CH3
  378041.7024  0.0414 -5.3157 3 1033.7625A64  595161404662145 2    662146 2      C-13-H3C(O)CH3
  378041.7024  0.0414 -5.6031 3 1033.7625A64  595161404662145 2    662046 2      C-13-H3C(O)CH3
  378041.7024  0.0414 -5.6031 3 1033.7625A64  595161404662245 2    662146 2      C-13-H3C(O)CH3
  378041.7024  0.0414 -5.3157 3 1033.7625A64  595161404662245 2    662046 2      C-13-H3C(O)CH3
  378044.6507  0.0253 -6.2812 3  719.3863840  595161404522626 0    512923 0      C-13-H3C(O)CH3
  378044.6913  0.0183 -5.4935 3  423.7795388  59516140448 544 4    48 345 4      C-13-H3C(O)CH3
  378044.6913  0.0183 -4.9604 3  423.7795388  59516140448 544 4    48 445 4      C-13-H3C(O)CH3
  378044.6913  0.0183 -5.4935 3  423.7795388  59516140448 444 4    48 445 4      C-13-H3C(O)CH3
  378044.6913  0.0183 -4.9604 3  423.7795388  59516140448 444 4    48 345 4      C-13-H3C(O)CH3
  378044.9661  0.0175 -4.8546 3  423.7795388  59516140448 544 3    48 345 3      C-13-H3C(O)CH3
  378044.9661  0.0175 -4.8546 3  423.7795388  59516140448 444 3    48 445 3      C-13-H3C(O)CH3
  378044.9661  0.0175 -6.7243 3  423.7795388  59516140448 444 3    48 345 3      C-13-H3C(O)CH3
  378044.9661  0.0175 -6.7243 3  423.7795388  59516140448 544 3    48 445 3      C-13-H3C(O)CH3
  378046.6488  0.0154 -5.2892 3  343.8305284  595161404352411 4    3425 9 4      C-13-H3C(O)CH3
  378064.2786  0.0132 -5.6842 3  417.4862632  595161404392416 0    392119 0      C-13-H3C(O)CH3
  378077.4941  0.0096 -6.3828 3  216.3782456  5951614042819 9 1    281414 1      C-13-H3C(O)CH3
  378087.0611  0.0287 -6.2802 3  719.3802840  595161404522626 1    512923 1      C-13-H3C(O)CH3
  378103.4731  0.0331 -5.4587 3 1033.7699532  595161404662145 3    662146 3      C-13-H3C(O)CH3
  378103.4731  0.0331 -6.7272 3 1033.7699532  595161404662245 3    662146 3      C-13-H3C(O)CH3
  378103.4731  0.0331 -5.4587 3 1033.7699532  595161404662245 3    662046 3      C-13-H3C(O)CH3
  378103.4731  0.0331 -6.7272 3 1033.7699532  595161404662145 3    662046 3      C-13-H3C(O)CH3
  378103.6273  0.0332 -5.7053 3 1033.7699532  595161404662145 4    662146 4      C-13-H3C(O)CH3
  378103.6273  0.0332 -5.7710 3 1033.7699532  595161404662145 4    662046 4      C-13-H3C(O)CH3
  378103.6273  0.0332 -5.7710 3 1033.7699532  595161404662245 4    662146 4      C-13-H3C(O)CH3
  378103.6273  0.0332 -5.7053 3 1033.7699532  595161404662245 4    662046 4      C-13-H3C(O)CH3
  378112.9953  0.0116 -5.6826 3   58.5089248  5951614041512 3 1    14 9 5 1      C-13-H3C(O)CH3
  378121.4063  0.0326 -6.2790 3  719.3782840  595161404522626 2    512923 2      C-13-H3C(O)CH3
  378139.0174  0.0102 -6.7051 3  216.3630228  5951614042819 9 4    281414 4      C-13-H3C(O)CH3
  378153.7216  0.0073 -5.3291 3   39.5155248  59516140415 312 2    14 213 2      C-13-H3C(O)CH3
  378153.7255  0.0073 -5.3291 3   39.5155248  59516140415 412 2    14 113 2      C-13-H3C(O)CH3
  378158.4227  0.0072 -5.3293 3   39.5160248  59516140415 312 1    14 213 1      C-13-H3C(O)CH3
  378158.4264  0.0072 -5.3293 3   39.5160248  59516140415 412 1    14 113 1      C-13-H3C(O)CH3
  378162.3922  0.0349 -6.5792 3  719.3721420  595161404522626 3    512923 3      C-13-H3C(O)CH3
  378164.0354  0.0352 -6.5791 3  719.3721420  595161404522626 4    512923 4      C-13-H3C(O)CH3
  378172.8287  0.0167 -5.3956 3  392.7111300  595161404372710 4    3628 8 4      C-13-H3C(O)CH3
  378186.8481  0.0132 -5.6842 3  417.4625632  595161404392416 1    392119 1      C-13-H3C(O)CH3
  378211.0915  0.0131 -5.6844 3  417.4580632  595161404392416 2    392119 2      C-13-H3C(O)CH3
  378213.4407  0.0094 -6.3706 3  216.3732456  5951614042819 9 2    281414 2      C-13-H3C(O)CH3
  378216.4344  0.0151 -5.3951 3  392.6984300  595161404372710 3    3628 9 3      C-13-H3C(O)CH3
  378219.2650  0.0090 -6.6083 3  183.6326424  5951614042617 9 2    261214 2      C-13-H3C(O)CH3
  378224.9055  0.3870 -6.5283 3 1529.8536B12  5951614046964 6 1    6963 7 1      C-13-H3C(O)CH3
  378228.2640  0.0315 -5.8324 3  343.8244284  595161404352411 4    342510 4      C-13-H3C(O)CH3
  378231.7384  0.0098 -6.3628 3  216.3884456  5951614042819 9 0    281414 0      C-13-H3C(O)CH3
  378244.6264  0.0030 -5.6115 3  241.2832308  59516140438 237 3    37 236 3      C-13-H3C(O)CH3
  378244.6264  0.0030 -5.6115 3  241.2832308  59516140438 137 3    37 136 3      C-13-H3C(O)CH3
  378244.6433  0.0030 -4.4267 3  241.2833308  59516140438 237 4    37 136 4      C-13-H3C(O)CH3
  378244.6433  0.0030 -3.6577 3  241.2833308  59516140438 137 4    37 136 4      C-13-H3C(O)CH3
  378244.6450  0.0030 -3.6577 3  241.2833308 -59516140438 237 4    37 236 4      C-13-H3C(O)CH3
  378244.6450  0.0030 -4.4267 3  241.2833308 -59516140438 137 4    37 236 4      C-13-H3C(O)CH3
  378244.6450  0.0030 -3.5936 3  241.2832308 -59516140438 137 3    37 236 3      C-13-H3C(O)CH3
  378244.6450  0.0030 -3.5936 3  241.2832308 -59516140438 237 3    37 136 3      C-13-H3C(O)CH3
  378245.8308  0.5123 -6.5282 3 1529.8718B12  5951614046964 5 0    6963 6 0      C-13-H3C(O)CH3
  378245.8308  0.5123 -6.5282 3 1529.8718B12  5951614046964 6 0    6963 7 0      C-13-H3C(O)CH3
  378248.8100  0.0206 -5.5130 3  476.4216648  5951614044032 9 0    3933 6 0      C-13-H3C(O)CH3
  378248.8125  0.0206 -5.5130 3  476.4216648  5951614044032 8 0    3933 7 0      C-13-H3C(O)CH3
  378264.1351  0.0033 -5.2204 3  241.2340616  59516140438 237 1    37 236 1      C-13-H3C(O)CH3
  378264.1351  0.0033 -5.2204 3  241.2340616  59516140438 137 1    37 136 1      C-13-H3C(O)CH3
  378264.2000  0.0033 -3.2934 3  241.2340616 -59516140438 137 1    37 236 1      C-13-H3C(O)CH3
  378264.2000  0.0032 -5.4445 3  241.2336616 -59516140438 137 2    37 236 2      C-13-H3C(O)CH3
  378264.2000  0.0033 -3.2934 3  241.2340616 -59516140438 237 1    37 136 1      C-13-H3C(O)CH3
  378264.2000  0.0032 -3.2913 3  241.2336616 -59516140438 237 2    37 236 2      C-13-H3C(O)CH3
  378264.2183  0.0032 -5.4445 3  241.2336616  59516140438 237 2    37 136 2      C-13-H3C(O)CH3
  378264.2183  0.0032 -3.2913 3  241.2336616  59516140438 137 2    37 136 2      C-13-H3C(O)CH3
  378274.7162  0.0090 -6.6107 3  183.6361424  5951614042617 9 1    261214 1      C-13-H3C(O)CH3
  378278.9584  0.0317 -5.8546 3  343.8227284  595161404352411 3    342510 3      C-13-H3C(O)CH3
  378283.6394  0.0027 -3.4053 3  241.1845616 -59516140438 237 0    37 136 0      C-13-H3C(O)CH3
  378283.6394  0.0027 -3.4053 3  241.1845616 -59516140438 137 0    37 236 0      C-13-H3C(O)CH3
  378283.6715  0.0027 -3.9142 3  241.1845616  59516140438 237 0    37 236 0      C-13-H3C(O)CH3
  378283.6715  0.0027 -3.9142 3  241.1845616  59516140438 137 0    37 136 0      C-13-H3C(O)CH3
  378290.3917  0.0089 -6.6038 3  183.6402424  5951614042617 9 0    261214 0      C-13-H3C(O)CH3
  378292.1002  0.0113 -4.5344 3  453.3854792  59516140449 544 0    49 545 0      C-13-H3C(O)CH3
  378292.1002  0.0113 -5.8711 3  453.3854792  59516140449 544 0    49 445 0      C-13-H3C(O)CH3
  378292.1002  0.0113 -5.8711 3  453.3854792  59516140449 644 0    49 545 0      C-13-H3C(O)CH3
  378292.1002  0.0113 -4.5344 3  453.3854792  59516140449 644 0    49 445 0      C-13-H3C(O)CH3
  378292.8369  0.0206 -5.5136 3  476.4142648  5951614044032 8 1    3933 6 1      C-13-H3C(O)CH3
  378300.3920  0.0118 -5.6923 3   58.5042248  5951614041512 3 2    14 9 5 2      C-13-H3C(O)CH3
  378300.7410  0.0231 -5.5368 3  394.7762380  59516140447 444 4    47 345 4      C-13-H3C(O)CH3
  378300.7410  0.0231 -5.0262 3  394.7762380  59516140447 444 4    47 245 4      C-13-H3C(O)CH3
  378300.7410  0.0231 -4.9602 3  394.7762380  59516140447 344 4    47 345 4      C-13-H3C(O)CH3
  378300.7410  0.0231 -5.8662 3  394.7762380  59516140447 344 4    47 245 4      C-13-H3C(O)CH3
  378300.7787  0.0223 -5.0284 3  394.7761380  59516140447 444 3    47 345 3      C-13-H3C(O)CH3
  378300.7787  0.0223 -5.5298 3  394.7761380  59516140447 444 3    47 245 3      C-13-H3C(O)CH3
  378300.7787  0.0223 -5.5298 3  394.7761380  59516140447 344 3    47 345 3      C-13-H3C(O)CH3
  378300.7787  0.0223 -5.0284 3  394.7761380  59516140447 344 3    47 245 3      C-13-H3C(O)CH3
  378316.2704  0.0090 -5.0618 3   66.1168264  5951614041612 5 0    15 9 6 0      C-13-H3C(O)CH3
  378326.4302  0.0122 -5.9853 3  417.4343316  595161404392416 4    392119 4      C-13-H3C(O)CH3
  378338.4297  0.0122 -5.9852 3  417.4344316  595161404392416 3    392119 3      C-13-H3C(O)CH3
  378339.7228  0.3931 -6.5282 3 1529.8780B12  5951614046964 5 1    6963 6 1      C-13-H3C(O)CH3
  378367.6244  0.3835 -6.7224 3 1746.1812C08  595161404756510 2    756411 2      C-13-H3C(O)CH3
  378375.5603  0.0307 -5.6556 3  472.8073680  595161404422320 2    412417 2      C-13-H3C(O)CH3
  378390.6070  0.5355 -6.7224 3 1746.2104C08  595161404756510 0    756411 0      C-13-H3C(O)CH3
  378390.6070  0.5355 -6.7224 3 1746.2104C08  595161404756511 0    756412 0      C-13-H3C(O)CH3
  378393.2605  0.0155 -4.6971 3  423.7709776  59516140448 444 2    48 445 2      C-13-H3C(O)CH3
  378393.2605  0.0155 -4.6971 3  423.7709776  59516140448 544 2    48 345 2      C-13-H3C(O)CH3
  378393.4012  0.0172 -5.0297 3  423.7713776 -59516140448 544 1    48 345 1      C-13-H3C(O)CH3
  378393.4012  0.0172 -5.0297 3  423.7713776 -59516140448 444 1    48 445 1      C-13-H3C(O)CH3
  378393.4012  0.0155 -5.0803 3  423.7709776 -59516140448 544 2    48 445 2      C-13-H3C(O)CH3
  378393.4012  0.0155 -5.0803 3  423.7709776 -59516140448 444 2    48 345 2      C-13-H3C(O)CH3
  378393.4342  0.0172 -4.7200 3  423.7713776  59516140448 544 1    48 445 1      C-13-H3C(O)CH3
  378393.4342  0.0172 -4.7200 3  423.7713776  59516140448 444 1    48 345 1      C-13-H3C(O)CH3
  378409.8745  0.0325 -5.9563 3  472.7850340  595161404422320 4    412417 4      C-13-H3C(O)CH3
  378409.9683  0.3977 -6.5281 3 1529.8672B12  5951614046964 5 2    6963 6 2      C-13-H3C(O)CH3
  378415.0782  0.0021 -3.8444 3  211.5013244 -595161404301020 3    291119 3      C-13-H3C(O)CH3
  378415.0782  0.0021 -3.8444 3  211.5013244 -595161404301020 4    291119 4      C-13-H3C(O)CH3
  378415.0782  0.0021 -3.8444 3  211.5013244 -595161404301120 4    291019 4      C-13-H3C(O)CH3
  378415.1642  0.3715 -6.5280 3 1529.8553B12  5951614046964 6 2    6963 7 2      C-13-H3C(O)CH3
  378415.2130  0.0021 -3.8444 3  211.5013244  595161404301120 3    291019 3      C-13-H3C(O)CH3
  378419.0052  0.0330 -5.9563 3  472.7847340  595161404422320 3    412417 3      C-13-H3C(O)CH3
  378439.4286  0.0141 -5.9488 3   58.5514124  5951614041512 3 4    14 9 5 4      C-13-H3C(O)CH3
  378442.1761  0.4039 -6.7224 3 1746.1837C08  595161404756510 1    756411 1      C-13-H3C(O)CH3
  378473.5909  0.0024 -3.5434 3  211.5112488 -595161404301020 1    291119 1      C-13-H3C(O)CH3
  378473.5909  0.0024 -3.5434 3  211.5112488 -595161404301120 1    291019 1      C-13-H3C(O)CH3
  378476.8458  0.0023 -3.5434 3  211.5094488 -595161404301020 2    291119 2      C-13-H3C(O)CH3
  378476.8458  0.0023 -3.5434 3  211.5094488 -595161404301120 2    291019 2      C-13-H3C(O)CH3
  378485.0465  0.0092 -5.8135 3  292.0020536  595161404331915 2    331618 2      C-13-H3C(O)CH3
  378505.6545  0.0084 -5.8127 3  292.0269536  595161404331915 0    331618 0      C-13-H3C(O)CH3
  378512.3443  0.3872 -6.7222 3 1746.1773C08  595161404756511 1    756412 1      C-13-H3C(O)CH3
  378514.9301  0.0217 -5.5127 3  476.3780648  5951614044032 9 1    3933 7 1      C-13-H3C(O)CH3
  378521.5448  0.3800 -6.7222 3 1746.1701C08  595161404756511 2    756412 2      C-13-H3C(O)CH3
  378532.0909  0.0288 -5.1830 3  366.3676372  59516140446 344 3    46 145 3      C-13-H3C(O)CH3
  378532.0909  0.0288 -5.5321 3  366.3676372  59516140446 344 3    46 245 3      C-13-H3C(O)CH3
  378532.0909  0.0288 -5.1830 3  366.3676372  59516140446 244 3    46 245 3      C-13-H3C(O)CH3
  378532.0909  0.0288 -5.5321 3  366.3676372  59516140446 244 3    46 145 3      C-13-H3C(O)CH3
  378532.4524  0.0297 -6.3176 3  366.3676372  59516140446 244 4    46 145 4      C-13-H3C(O)CH3
  378532.4524  0.0297 -5.0449 3  366.3676372  59516140446 244 4    46 245 4      C-13-H3C(O)CH3
  378532.4524  0.0297 -5.0449 3  366.3676372  59516140446 344 4    46 145 4      C-13-H3C(O)CH3
  378532.4524  0.0297 -6.3176 3  366.3676372  59516140446 344 4    46 245 4      C-13-H3C(O)CH3
  378535.0846  0.0021 -3.5434 3  211.5192488 -595161404301120 0    291019 0      C-13-H3C(O)CH3
  378535.0846  0.0021 -3.5434 3  211.5192488 -595161404301020 0    291119 0      C-13-H3C(O)CH3
  378538.4778  0.0100 -6.1150 3  291.9804268  595161404331915 4    331618 4      C-13-H3C(O)CH3
  378539.1653  0.0095 -6.1150 3  291.9804268  595161404331915 3    331618 3      C-13-H3C(O)CH3
  378549.1901  0.0074 -5.3277 3   39.4505248  59516140415 312 0    14 213 0      C-13-H3C(O)CH3
  378549.1940  0.0074 -5.3277 3   39.4505248  59516140415 412 0    14 113 0      C-13-H3C(O)CH3
  378559.4838  0.0091 -5.8134 3  292.0054536  595161404331915 1    331618 1      C-13-H3C(O)CH3
  378559.9229  0.0797 -6.1738 3 1448.1349612  595161404763046 4    762947 4      C-13-H3C(O)CH3
  378559.9229  0.0797 -6.2230 3 1448.1349612  595161404763046 4    763047 4      C-13-H3C(O)CH3
  378559.9383  0.0797 -6.2803 3 1448.1349612  595161404763146 3    763047 3      C-13-H3C(O)CH3
  378559.9383  0.0797 -6.2803 3 1448.1349612  595161404763046 3    762947 3      C-13-H3C(O)CH3
  378559.9383  0.0797 -6.7421 3 1448.1349612  595161404763046 3    763047 3      C-13-H3C(O)CH3
  378559.9383  0.0797 -6.7421 3 1448.1349612  595161404763146 3    762947 3      C-13-H3C(O)CH3
  378560.6306  0.0202 -5.5119 3  476.3951648  5951614044032 9 2    3933 7 2      C-13-H3C(O)CH3
  378566.0424  0.0203 -5.5129 3  476.4146648  5951614044032 8 2    3933 6 2      C-13-H3C(O)CH3
  378582.0675  0.0827 -5.8571 3 1448.1144C24  595161404763146 1    762947 1      C-13-H3C(O)CH3
  378582.0675  0.0827 -5.8571 3 1448.1144C24  595161404763046 1    763047 1      C-13-H3C(O)CH3
  378585.5193  0.0825 -5.9290 3 1448.1169C24  595161404763046 2    763047 2      C-13-H3C(O)CH3
  378585.5193  0.0825 -6.6313 3 1448.1169C24  595161404763146 2    763047 2      C-13-H3C(O)CH3
  378585.5193  0.0825 -5.9290 3 1448.1169C24  595161404763146 2    762947 2      C-13-H3C(O)CH3
  378585.5193  0.0825 -6.6313 3 1448.1169C24  595161404763046 2    762947 2      C-13-H3C(O)CH3
  378602.8198  0.0227 -5.8136 3  476.3878324  5951614044032 8 3    3933 6 3      C-13-H3C(O)CH3
  378607.6587  0.0856 -6.1981 3 1448.0964C24  595161404763046 0    762947 0      C-13-H3C(O)CH3
  378607.6587  0.0856 -5.8532 3 1448.0964C24  595161404763046 0    763047 0      C-13-H3C(O)CH3
  378607.6587  0.0856 -5.8508 3 1448.0964C24  595161404763146 0    762947 0      C-13-H3C(O)CH3
  378607.6587  0.0856 -6.1546 3 1448.0964C24  595161404763146 0    763047 0      C-13-H3C(O)CH3
  378609.9198  0.0239 -5.8146 3  476.4072324  5951614044032 8 4    3933 6 4      C-13-H3C(O)CH3
  378612.0022  0.0064 -6.5136 3  170.9993212  595161404261214 3    26 917 3      C-13-H3C(O)CH3
  378612.3553  0.0080 -6.5136 3  170.9994212  595161404261214 4    26 917 4      C-13-H3C(O)CH3
  378632.1952  0.0357 -6.4807 3  801.5575888  595161404552728 0    543025 0      C-13-H3C(O)CH3
  378672.5999  0.0064 -6.5135 3  170.9993212  595161404261314 3    261017 3      C-13-H3C(O)CH3
  378672.6875  0.0080 -6.5135 3  170.9994212  595161404261314 4    261017 4      C-13-H3C(O)CH3
  378676.0508  0.2047 -6.6749 3 1817.9951D52  595161404843847 2    843648 2      C-13-H3C(O)CH3
  378676.0508  0.2047 -6.6661 3 1817.9951D52  595161404843747 2    843748 2      C-13-H3C(O)CH3
  378680.6084  0.2265 -6.5383 3 1817.9920D52  595161404843847 1    843748 1      C-13-H3C(O)CH3
  378680.6084  0.2265 -6.5959 3 1817.9920D52  595161404843847 1    843648 1      C-13-H3C(O)CH3
  378683.6666  0.0308 -5.8352 3  994.2071A48  595161404652145 0    652046 0      C-13-H3C(O)CH3
  378683.6666  0.0308 -5.1531 3  994.2071A48  595161404652145 0    651946 0      C-13-H3C(O)CH3
  378683.6666  0.0308 -5.7458 3  994.2071A48  595161404652045 0    651946 0      C-13-H3C(O)CH3
  378683.6666  0.0308 -5.1742 3  994.2071A48  595161404652045 0    652046 0      C-13-H3C(O)CH3
  378689.8280  0.0388 -6.4794 3  801.5569888  595161404552728 1    543025 1      C-13-H3C(O)CH3
  378708.9917  0.0446 -6.4786 3  801.5563888  595161404552728 2    543025 2      C-13-H3C(O)CH3
  378716.3488  0.2298 -6.7004 3 1817.9897D52  595161404843747 0    843648 0      C-13-H3C(O)CH3
  378716.3488  0.2298 -6.7005 3 1817.9897D52  595161404843847 0    843748 0      C-13-H3C(O)CH3
  378739.2752  0.0374 -5.2637 3  338.5548364  59516140445 244 3    45 045 3      C-13-H3C(O)CH3
  378739.2752  0.0374 -5.2637 3  338.5548364  59516140445 144 3    45 145 3      C-13-H3C(O)CH3
  378740.2502  0.0382 -5.2673 3  338.5549364  59516140445 244 4    45 145 4      C-13-H3C(O)CH3
  378740.2502  0.0382 -5.2673 3  338.5549364  59516140445 144 4    45 045 4      C-13-H3C(O)CH3
  378741.0884  0.0144 -4.6157 3  423.7628776  59516140448 544 0    48 445 0      C-13-H3C(O)CH3
  378741.0884  0.0144 -4.6157 3  423.7628776  59516140448 444 0    48 345 0      C-13-H3C(O)CH3
  378741.0884  0.0144 -5.3730 3  423.7628776  59516140448 444 0    48 445 0      C-13-H3C(O)CH3
  378741.0884  0.0144 -5.3730 3  423.7628776  59516140448 544 0    48 345 0      C-13-H3C(O)CH3
  378744.8107  0.0229 -4.6443 3  394.7516760  59516140447 444 2    47 245 2      C-13-H3C(O)CH3
  378744.8107  0.0229 -4.6443 3  394.7516760  59516140447 344 2    47 345 2      C-13-H3C(O)CH3
  378744.8628  0.0250 -4.8509 3  394.7520760 -59516140447 444 1    47 345 1      C-13-H3C(O)CH3
  378744.8628  0.0229 -5.6913 3  394.7516760 -59516140447 444 2    47 345 2      C-13-H3C(O)CH3
  378744.8628  0.0250 -4.8509 3  394.7520760 -59516140447 344 1    47 245 1      C-13-H3C(O)CH3
  378744.8628  0.0229 -5.6913 3  394.7516760 -59516140447 344 2    47 245 2      C-13-H3C(O)CH3
  378745.0975  0.0250 -4.9741 3  394.7520760  59516140447 344 1    47 345 1      C-13-H3C(O)CH3
  378745.0975  0.0250 -4.9741 3  394.7520760  59516140447 444 1    47 245 1      C-13-H3C(O)CH3
  378755.2357  0.0361 -5.0747 3  994.2107A48  595161404652145 1    651946 1      C-13-H3C(O)CH3
  378755.2357  0.0361 -5.0747 3  994.2107A48  595161404652045 1    652046 1      C-13-H3C(O)CH3
  378758.5862  0.0385 -5.7062 3  994.2109A48  595161404652045 2    652046 2      C-13-H3C(O)CH3
  378758.5862  0.0385 -5.1852 3  994.2109A48  595161404652045 2    651946 2      C-13-H3C(O)CH3
  378758.5862  0.0385 -5.7062 3  994.2109A48  595161404652145 2    651946 2      C-13-H3C(O)CH3
  378758.5862  0.0385 -5.1852 3  994.2109A48  595161404652145 2    652046 2      C-13-H3C(O)CH3
  378766.1886  0.0472 -6.7785 3  801.5557444  595161404552728 3    543025 3      C-13-H3C(O)CH3
  378766.7031  0.0474 -6.7785 3  801.5556444  595161404552728 4    543025 4      C-13-H3C(O)CH3
  378781.8656  0.0063 -6.2107 3  170.9978424  595161404261214 2    26 917 2      C-13-H3C(O)CH3
  378823.9854  0.0237 -5.8126 3  476.3514324  5951614044032 9 4    3933 7 4      C-13-H3C(O)CH3
  378830.1581  0.0230 -5.8136 3  476.3710324  5951614044032 9 3    3933 7 3      C-13-H3C(O)CH3
  378830.2612  0.0307 -5.4293 3  994.2146524  595161404652045 3    652046 3      C-13-H3C(O)CH3
  378830.2612  0.0307 -6.2769 3  994.2146524  595161404652145 3    652046 3      C-13-H3C(O)CH3
  378830.2612  0.0307 -5.4293 3  994.2146524  595161404652145 3    651946 3      C-13-H3C(O)CH3
  378830.2612  0.0307 -6.2769 3  994.2146524  595161404652045 3    651946 3      C-13-H3C(O)CH3
  378830.4278  0.0308 -5.3869 3  994.2146524  595161404652045 4    651946 4      C-13-H3C(O)CH3
  378830.4278  0.0308 -5.3869 3  994.2146524  595161404652145 4    652046 4      C-13-H3C(O)CH3
  378836.7712  0.0063 -6.2106 3  170.9995424  595161404261214 1    26 917 1      C-13-H3C(O)CH3
  378844.1122  0.0063 -6.2106 3  170.9978424  595161404261314 2    261017 2      C-13-H3C(O)CH3
  378852.0223  0.0100 -5.4840 3   66.1609264  5951614041612 4 1    15 9 6 1      C-13-H3C(O)CH3
  378896.8935  0.0062 -6.2105 3  170.9995424  595161404261314 1    261017 1      C-13-H3C(O)CH3
  378929.0048  0.0805 -6.3207 3  554.4300364  595161404452619 3    442916 3      C-13-H3C(O)CH3
  379002.2193  0.0088 -6.0833 3   56.2647124  5951614041511 5 4    14 8 7 4      C-13-H3C(O)CH3
  379006.2161  0.0060 -6.2084 3  170.9979424  595161404261214 0    26 917 0      C-13-H3C(O)CH3
  379022.4938  0.0099 -5.5097 3   66.1543264  5951614041612 4 2    15 9 6 2      C-13-H3C(O)CH3
  379068.0550  0.0060 -6.2083 3  170.9979424  595161404261314 0    261017 0      C-13-H3C(O)CH3
  379073.9452  0.0364 -6.4796 3  801.5429888  595161404552828 0    542925 0      C-13-H3C(O)CH3
  379083.8418  0.0345 -5.7841 3  366.3238744  59516140446 244 2    46 245 2      C-13-H3C(O)CH3
  379083.8418  0.0345 -4.7587 3  366.3238744  59516140446 244 2    46 145 2      C-13-H3C(O)CH3
  379083.8418  0.0345 -5.7841 3  366.3238744  59516140446 344 2    46 145 2      C-13-H3C(O)CH3
  379083.8418  0.0345 -4.7587 3  366.3238744  59516140446 344 2    46 245 2      C-13-H3C(O)CH3
  379084.3987  0.0368 -4.7203 3  366.3242744  59516140446 344 1    46 145 1      C-13-H3C(O)CH3
  379084.3987  0.0368 -4.7203 3  366.3242744  59516140446 244 1    46 245 1      C-13-H3C(O)CH3
  379090.0733  0.0108 -5.1116 3   74.3006140  5951614041712 6 4    16 9 7 4      C-13-H3C(O)CH3
  379154.1127  0.0103 -5.9084 3   51.2573232  5951614041412 3 1    13 9 5 1      C-13-H3C(O)CH3
  379154.3442  0.0386 -6.4782 3  801.5415888  595161404552828 1    542925 1      C-13-H3C(O)CH3
  379172.9595  0.4074 -6.5364 3 1497.5976A96  5951614046864 5 1    6863 6 1      C-13-H3C(O)CH3
  379174.9668  0.0491 -6.4774 3  801.5408888  595161404552828 2    542925 2      C-13-H3C(O)CH3
  379183.0398  0.0066 -5.0196 3  295.4487268  595161404332014 3    322111 3      C-13-H3C(O)CH3
  379183.8174  0.0130 -5.7130 3   66.1994132  5951614041612 4 4    15 9 6 4      C-13-H3C(O)CH3
  379188.2307  0.0211 -4.6775 3  394.7276760  59516140447 344 0    47 245 0      C-13-H3C(O)CH3
  379188.2307  0.0211 -4.6775 3  394.7276760  59516140447 444 0    47 345 0      C-13-H3C(O)CH3
  379188.2307  0.0211 -5.4228 3  394.7276760  59516140447 444 0    47 245 0      C-13-H3C(O)CH3
  379188.2307  0.0211 -5.4228 3  394.7276760  59516140447 344 0    47 345 0      C-13-H3C(O)CH3
  379188.4124  0.0057 -4.7159 3  295.4679536  595161404332014 2    322111 2      C-13-H3C(O)CH3
  379200.7433  0.0055 -5.0183 3  295.4481268  595161404332014 4    322111 4      C-13-H3C(O)CH3
  379235.3709  0.5343 -6.5363 3 1497.6136A96  5951614046864 4 0    6863 5 0      C-13-H3C(O)CH3
  379235.3709  0.5343 -6.5363 3 1497.6136A96  5951614046864 5 0    6863 6 0      C-13-H3C(O)CH3
  379255.8709  0.0514 -6.7772 3  801.5394444  595161404552828 4    542925 4      C-13-H3C(O)CH3
  379256.2450  0.0512 -6.7772 3  801.5394444  595161404552828 3    542925 3      C-13-H3C(O)CH3
  379288.3219  0.0049 -4.7163 3  295.4890536  595161404332014 0    322111 0      C-13-H3C(O)CH3
  379289.6412  0.0053 -4.7183 3  295.4696536  595161404332014 1    322111 1      C-13-H3C(O)CH3
  379322.4219  0.0022 -3.8049 3  218.4199252 -59516140431 922 3    301021 3      C-13-H3C(O)CH3
  379322.4219  0.0022 -3.8049 3  218.4199252 -595161404311022 3    30 921 3      C-13-H3C(O)CH3
  379322.4219  0.0022 -3.8049 3  218.4199252 -59516140431 922 4    301021 4      C-13-H3C(O)CH3
  379322.4219  0.0022 -3.8049 3  218.4199252 -595161404311022 4    30 921 4      C-13-H3C(O)CH3
  379326.6954  0.4126 -6.5363 3 1497.6269A96  5951614046864 4 1    6863 5 1      C-13-H3C(O)CH3
  379361.1530  0.0285 -5.0092 3  955.2364A32  595161404642045 0    641946 0      C-13-H3C(O)CH3
  379361.1530  0.0285 -5.0092 3  955.2364A32  595161404641945 0    641846 0      C-13-H3C(O)CH3
  379361.3808  0.0041 -4.1566 3  243.2469316  59516140439 139 4    38 138 4      C-13-H3C(O)CH3
  379361.3808  0.0041 -3.6935 3  243.2469316  59516140439 039 4    38 138 4      C-13-H3C(O)CH3
  379361.3867  0.0041 -5.8475 3  243.2469316 -59516140439 039 3    38 138 3      C-13-H3C(O)CH3
  379361.3867  0.0041 -4.1566 3  243.2469316 -59516140439 039 4    38 038 4      C-13-H3C(O)CH3
  379361.3867  0.0041 -5.8475 3  243.2469316 -59516140439 139 3    38 038 3      C-13-H3C(O)CH3
  379361.3867  0.0041 -3.6935 3  243.2469316 -59516140439 139 4    38 038 4      C-13-H3C(O)CH3
  379361.3872  0.0041 -3.5673 3  243.2469316  59516140439 139 3    38 138 3      C-13-H3C(O)CH3
  379361.3872  0.0041 -3.5673 3  243.2469316  59516140439 039 3    38 038 3      C-13-H3C(O)CH3
  379366.2738  0.0050 -3.7993 3  243.1793632  59516140439 139 1    38 138 1      C-13-H3C(O)CH3
  379366.2738  0.0050 -3.7993 3  243.1793632  59516140439 039 1    38 038 1      C-13-H3C(O)CH3
  379366.4026  0.0050 -3.4135 3  243.1793632 -59516140439 039 1    38 138 1      C-13-H3C(O)CH3
  379366.4026  0.0047 -3.8801 3  243.1789632 -59516140439 139 2    38 138 2      C-13-H3C(O)CH3
  379366.4026  0.0047 -3.8801 3  243.1789632 -59516140439 039 2    38 038 2      C-13-H3C(O)CH3
  379366.4026  0.0050 -3.4135 3  243.1793632 -59516140439 139 1    38 038 1      C-13-H3C(O)CH3
  379366.4176  0.0047 -3.3842 3  243.1789632  59516140439 039 2    38 138 2      C-13-H3C(O)CH3
  379366.4176  0.0047 -3.3842 3  243.1789632  59516140439 139 2    38 038 2      C-13-H3C(O)CH3
  379371.2855  0.0041 -3.2861 3  243.1114632  59516140439 039 0    38 138 0      C-13-H3C(O)CH3
  379371.2855  0.0041 -3.2861 3  243.1114632  59516140439 139 0    38 038 0      C-13-H3C(O)CH3
  379371.3367  0.0041 -4.5633 3  243.1114632 -59516140439 139 0    38 138 0      C-13-H3C(O)CH3
  379371.3367  0.0041 -4.5633 3  243.1114632 -59516140439 039 0    38 038 0      C-13-H3C(O)CH3
  379377.7596  0.0025 -3.5038 3  218.4285504 -59516140431 922 1    301021 1      C-13-H3C(O)CH3
  379377.7596  0.0025 -3.5038 3  218.4285504 -595161404311022 1    30 921 1      C-13-H3C(O)CH3
  379379.7930  0.0025 -3.5039 3  218.4271504 -595161404311022 2    30 921 2      C-13-H3C(O)CH3
  379379.7930  0.0025 -3.5039 3  218.4271504 -59516140431 922 2    301021 2      C-13-H3C(O)CH3
  379397.3241  0.3894 -6.5361 3 1497.6042A96  5951614046864 5 2    6863 6 2      C-13-H3C(O)CH3
  379411.1572  0.0506 -4.9665 3  338.4880728  59516140445 144 2    45 145 2      C-13-H3C(O)CH3
  379411.1572  0.0506 -6.6761 3  338.4880728  59516140445 144 2    45 045 2      C-13-H3C(O)CH3
  379411.1572  0.0506 -4.9665 3  338.4880728  59516140445 244 2    45 045 2      C-13-H3C(O)CH3
  379411.1572  0.0506 -6.6761 3  338.4880728  59516140445 244 2    45 145 2      C-13-H3C(O)CH3
  379412.1936  0.0530 -5.0907 3  338.4883728  59516140445 244 1    45 045 1      C-13-H3C(O)CH3
  379412.1936  0.0530 -5.5387 3  338.4883728  59516140445 244 1    45 145 1      C-13-H3C(O)CH3
  379412.1936  0.0530 -5.0907 3  338.4883728  59516140445 144 1    45 145 1      C-13-H3C(O)CH3
  379412.1936  0.0530 -5.5387 3  338.4883728  59516140445 144 1    45 045 1      C-13-H3C(O)CH3
  379425.6491  0.0104 -5.9224 3   51.2586232  5951614041412 3 2    13 9 5 2      C-13-H3C(O)CH3
  379435.0204  0.0021 -3.5039 3  218.4357504 -59516140431 922 0    301021 0      C-13-H3C(O)CH3
  379435.0204  0.0021 -3.5039 3  218.4357504 -595161404311022 0    30 921 0      C-13-H3C(O)CH3
  379441.4775  0.0336 -5.2817 3  955.2360A32  595161404641945 1    641946 1      C-13-H3C(O)CH3
  379441.4775  0.0336 -5.2817 3  955.2360A32  595161404642045 1    641846 1      C-13-H3C(O)CH3
  379441.4775  0.0336 -5.3401 3  955.2360A32  595161404642045 1    641946 1      C-13-H3C(O)CH3
  379441.4775  0.0336 -5.3401 3  955.2360A32  595161404641945 1    641846 1      C-13-H3C(O)CH3
  379444.3010  0.0354 -5.0154 3  955.2361A32  595161404642045 2    641846 2      C-13-H3C(O)CH3
  379444.3010  0.0354 -5.0154 3  955.2361A32  595161404641945 2    641946 2      C-13-H3C(O)CH3
  379447.8219  0.4196 -6.5361 3 1497.6167A96  5951614046864 4 2    6863 5 2      C-13-H3C(O)CH3
  379461.1141  0.0126 -4.0466 3  119.3007344 -5951614042115 7 1    2014 6 1      C-13-H3C(O)CH3
  379465.4736  0.0716 -6.3953 3  554.4124364  595161404452619 4    442916 4      C-13-H3C(O)CH3
  379476.1575  0.0046 -3.6196 3  113.1913156 -5951614041919 0 4    1818 0 4      C-13-H3C(O)CH3
  379512.8069  0.0144 -6.6262 3  219.6700456  5951614042820 8 1    281513 1      C-13-H3C(O)CH3
  379520.5572  0.0189 -5.7027 3  494.5135680  595161404422815 0    422518 0      C-13-H3C(O)CH3
  379524.7374  0.0286 -5.7835 3  955.2357516  595161404642045 3    641946 3      C-13-H3C(O)CH3
  379524.7374  0.0286 -5.4875 3  955.2357516  595161404642045 3    641846 3      C-13-H3C(O)CH3
  379524.7374  0.0286 -5.7835 3  955.2357516  595161404641945 3    641846 3      C-13-H3C(O)CH3
  379524.7374  0.0286 -5.4875 3  955.2357516  595161404641945 3    641946 3      C-13-H3C(O)CH3
  379524.9117  0.0287 -5.4446 3  955.2357516  595161404641945 4    641846 4      C-13-H3C(O)CH3
  379524.9117  0.0287 -5.8830 3  955.2357516  595161404642045 4    641846 4      C-13-H3C(O)CH3
  379524.9117  0.0287 -5.8830 3  955.2357516  595161404641945 4    641946 4      C-13-H3C(O)CH3
  379524.9117  0.0287 -5.4446 3  955.2357516  595161404642045 4    641946 4      C-13-H3C(O)CH3
  379541.5151  0.0126 -6.3338 3   51.3002116  5951614041412 3 3    13 9 5 3      C-13-H3C(O)CH3
  379607.0215  0.0041 -3.6192 3  113.1147156 -5951614041919 1 3    1818 1 3      C-13-H3C(O)CH3
  379613.0063  0.0716 -6.0688 3 1402.8470604  595161404753046 3    752847 3      C-13-H3C(O)CH3
  379613.0063  0.0716 -6.0688 3 1402.8470604  595161404752946 3    752947 3      C-13-H3C(O)CH3
  379613.0065  0.0717 -6.4232 3 1402.8470604  595161404752946 4    752847 4      C-13-H3C(O)CH3
  379613.0065  0.0717 -6.3223 3 1402.8470604  595161404753046 4    752847 4      C-13-H3C(O)CH3
  379613.0065  0.0717 -6.4232 3 1402.8470604  595161404753046 4    752947 4      C-13-H3C(O)CH3
  379613.0065  0.0717 -6.3223 3 1402.8470604  595161404752946 4    752947 4      C-13-H3C(O)CH3
  379619.4688  0.0753 -6.0491 3  554.4292728  595161404452619 2    442916 2      C-13-H3C(O)CH3
  379628.4307  0.0715 -6.1857 3 1402.8257C08  595161404753046 1    752947 1      C-13-H3C(O)CH3
  379628.4307  0.0715 -5.9766 3 1402.8257C08  595161404753046 1    752847 1      C-13-H3C(O)CH3
  379628.4307  0.0715 -6.1857 3 1402.8257C08  595161404752946 1    752847 1      C-13-H3C(O)CH3
  379628.4307  0.0715 -5.9766 3 1402.8257C08  595161404752946 1    752947 1      C-13-H3C(O)CH3
  379632.5216  0.0735 -5.7744 3 1402.8280C08  595161404752946 2    752947 2      C-13-H3C(O)CH3
  379632.5216  0.0735 -5.7744 3 1402.8280C08  595161404753046 2    752847 2      C-13-H3C(O)CH3
  379634.9110  0.0321 -4.7185 3  366.2804744  59516140446 344 0    46 145 0      C-13-H3C(O)CH3
  379634.9110  0.0321 -4.7185 3  366.2804744  59516140446 244 0    46 245 0      C-13-H3C(O)CH3
  379638.1859  0.0180 -5.7340 3  494.4952680  595161404422815 1    422518 1      C-13-H3C(O)CH3
  379644.2718  0.5334 -6.6864 3 1711.0159B92  595161404746510 0    746410 0      C-13-H3C(O)CH3
  379644.2718  0.5334 -6.6864 3 1711.0159B92  5951614047465 9 0    746411 0      C-13-H3C(O)CH3
  379647.9671  0.0739 -6.6510 3 1402.8068C08  595161404753046 0    752947 0      C-13-H3C(O)CH3
  379647.9671  0.0739 -5.8737 3 1402.8068C08  595161404753046 0    752847 0      C-13-H3C(O)CH3
  379647.9671  0.0739 -5.8285 3 1402.8068C08  595161404752946 0    752947 0      C-13-H3C(O)CH3
  379647.9671  0.0739 -6.4315 3 1402.8068C08  595161404752946 0    752847 0      C-13-H3C(O)CH3
  379653.6999  0.3894 -6.6863 3 1710.9890B92  5951614047465 9 2    746410 2      C-13-H3C(O)CH3
  379671.0090  0.0044 -3.6190 3  113.1209156 -5951614041919 0 3    1818 0 3      C-13-H3C(O)CH3
  379695.6583  0.0116 -6.4235 3  219.6781456  5951614042820 8 0    281513 0      C-13-H3C(O)CH3
  379711.3387  0.4055 -6.6863 3 1710.9941B92  5951614047465 9 1    746410 1      C-13-H3C(O)CH3
  379742.3279  0.0122 -6.3066 3   51.3002116  5951614041412 2 3    13 9 5 3      C-13-H3C(O)CH3
  379745.2536  0.3879 -6.6862 3 1710.9858B92  595161404746510 1    746411 1      C-13-H3C(O)CH3
  379750.3592  0.0276 -6.1178 3  494.4719340  595161404422815 4    422518 4      C-13-H3C(O)CH3
  379750.5584  0.0041 -3.3179 3  113.1814312 -5951614041919 0 1    1818 0 1      C-13-H3C(O)CH3
  379758.6181  0.0503 -6.6820 3  887.9481936  595161404582830 0    573127 0      C-13-H3C(O)CH3
  379776.7145  0.0086 -6.2704 3   45.8799116  59516140414 9 5 3    13 6 8 3      C-13-H3C(O)CH3
  379781.0404  0.0041 -3.3179 3  113.1977312 -5951614041919 0 2    1818 0 2      C-13-H3C(O)CH3
  379789.5545  0.0150 -6.5782 3  219.6620456  5951614042820 8 2    281513 2      C-13-H3C(O)CH3
  379789.6578  0.3757 -6.6861 3 1710.9787B92  595161404746510 2    746411 2      C-13-H3C(O)CH3
  379801.1869  0.0042 -3.6186 3  113.0446156 -5951614041919 1 4    1818 1 4      C-13-H3C(O)CH3
  379807.7991  0.0118 -3.9481 3  119.2983344 -5951614042115 7 2    2014 6 2      C-13-H3C(O)CH3
  379818.8333  0.0528 -6.6806 3  887.9529936  595161404582830 1    573127 1      C-13-H3C(O)CH3
  379824.9733  0.0588 -6.6801 3  887.9533936  595161404582830 2    573127 2      C-13-H3C(O)CH3
  379835.0672  0.0252 -5.7711 3  494.4905680  595161404422815 2    422518 2      C-13-H3C(O)CH3
  379857.3524  0.0504 -6.6817 3  887.9448936  595161404582930 0    573027 0      C-13-H3C(O)CH3
  379879.4464  0.0096 -6.2743 3   45.8799116  59516140414 9 5 4    13 6 8 4      C-13-H3C(O)CH3
  379880.0559  0.0282 -6.2764 3  719.3253840  595161404522726 0    512823 0      C-13-H3C(O)CH3
  379911.1070  0.0042 -3.3174 3  113.1211312 -5951614041919 1 2    1818 1 2      C-13-H3C(O)CH3
  379924.4680  0.0525 -6.6803 3  887.9494936  595161404582930 1    573027 1      C-13-H3C(O)CH3
  379929.8913  0.0604 -6.6798 3  887.9499936  595161404582930 2    573027 2      C-13-H3C(O)CH3
  379932.7803  0.0079 -5.9618 3   45.8310232  59516140414 9 5 2    13 6 8 2      C-13-H3C(O)CH3
  379944.8446  0.0042 -3.3173 3  113.1111312 -5951614041919 1 1    1818 1 1      C-13-H3C(O)CH3
  379988.6619  0.0294 -6.2752 3  719.3171840  595161404522726 1    512823 1      C-13-H3C(O)CH3
  380010.5238  0.0260 -5.2780 3  916.8438A16  595161404631845 0    631846 0      C-13-H3C(O)CH3
  380010.5238  0.0260 -5.0501 3  916.8438A16  595161404631945 0    631746 0      C-13-H3C(O)CH3
  380010.5238  0.0260 -5.2270 3  916.8438A16  595161404631845 0    631746 0      C-13-H3C(O)CH3
  380010.5238  0.0260 -5.6389 3  916.8438A16  595161404631945 0    631846 0      C-13-H3C(O)CH3
  380021.5763  0.0404 -6.0243 3  554.4273728  595161404452619 1    442916 1      C-13-H3C(O)CH3
  380021.9240  0.1632 -6.7384 3 1768.1907668  595161404833647 4    833648 4      C-13-H3C(O)CH3
  380021.9240  0.1632 -6.7384 3 1768.1907668  595161404833747 4    833548 4      C-13-H3C(O)CH3
  380022.0006  0.1632 -6.7840 3 1768.1907668  595161404833747 3    833548 3      C-13-H3C(O)CH3
  380022.0006  0.1632 -6.7840 3 1768.1907668  595161404833647 3    833648 3      C-13-H3C(O)CH3
  380039.2306  0.0076 -5.9656 3   45.8322232  59516140414 9 5 1    13 6 8 1      C-13-H3C(O)CH3
  380039.7857  0.0072 -5.0155 3   74.2992140  5951614041712 6 3    16 9 7 3      C-13-H3C(O)CH3
  380040.1049  0.0438 -6.2739 3  719.3145840  595161404522726 2    512823 2      C-13-H3C(O)CH3
  380055.3147  0.0044 -3.3172 3  113.1878312 -5951614041919 0 0    1818 1 0      C-13-H3C(O)CH3
  380055.3147  0.0044 -3.3172 3  113.1878312 -5951614041919 1 0    1818 0 0      C-13-H3C(O)CH3
  380059.8282  0.1840 -6.4555 3 1768.1859D36  595161404833747 2    833548 2      C-13-H3C(O)CH3
  380059.8282  0.1840 -6.4555 3 1768.1859D36  595161404833647 2    833648 2      C-13-H3C(O)CH3
  380063.2057  0.2029 -6.4886 3 1768.1826D36  595161404833747 1    833548 1      C-13-H3C(O)CH3
  380063.2057  0.2029 -6.4880 3 1768.1826D36  595161404833647 1    833648 1      C-13-H3C(O)CH3
  380071.5757  0.4312 -6.5633 3 1465.8334A80  5951614046764 4 1    6763 5 1      C-13-H3C(O)CH3
  380082.3924  0.0480 -5.3590 3  338.4216728  59516140445 144 0    45 045 0      C-13-H3C(O)CH3
  380082.3924  0.0480 -5.1748 3  338.4216728  59516140445 144 0    45 145 0      C-13-H3C(O)CH3
  380082.3924  0.0480 -5.3590 3  338.4216728  59516140445 244 0    45 145 0      C-13-H3C(O)CH3
  380082.3924  0.0480 -5.1748 3  338.4216728  59516140445 244 0    45 045 0      C-13-H3C(O)CH3
  380097.9779  0.0308 -4.9505 3  916.8391A16  595161404631845 1    631746 1      C-13-H3C(O)CH3
  380097.9779  0.0308 -4.9495 3  916.8391A16  595161404631945 1    631846 1      C-13-H3C(O)CH3
  380100.2604  0.0321 -5.2689 3  916.8391A16  595161404631945 2    631746 2      C-13-H3C(O)CH3
  380100.2604  0.0321 -5.2689 3  916.8391A16  595161404631845 2    631846 2      C-13-H3C(O)CH3
  380100.2604  0.0321 -5.2327 3  916.8391A16  595161404631845 2    631746 2      C-13-H3C(O)CH3
  380100.2604  0.0321 -5.2327 3  916.8391A16  595161404631945 2    631846 2      C-13-H3C(O)CH3
  380100.9730  0.2062 -6.7318 3 1768.1778D36  595161404833747 0    833648 0      C-13-H3C(O)CH3
  380100.9730  0.2062 -6.7442 3 1768.1778D36  595161404833747 0    833548 0      C-13-H3C(O)CH3
  380100.9730  0.2062 -6.7043 3 1768.1778D36  595161404833647 0    833548 0      C-13-H3C(O)CH3
  380100.9730  0.2062 -6.7744 3 1768.1778D36  595161404833647 0    833648 0      C-13-H3C(O)CH3
  380101.5486  0.0067 -3.9660 3  119.2962172  5951614042115 7 3    2014 6 3      C-13-H3C(O)CH3
  380141.1036  0.0084 -4.7608 3   74.2666280  5951614041712 6 1    16 9 7 1      C-13-H3C(O)CH3
  380145.3432  0.0070 -5.9560 3   45.7833232  59516140414 9 5 0    13 6 8 0      C-13-H3C(O)CH3
  380149.3117  0.0453 -6.5738 3  719.3062420  595161404522726 4    512823 4      C-13-H3C(O)CH3
  380150.7133  0.0450 -6.5738 3  719.3061420  595161404522726 3    512823 3      C-13-H3C(O)CH3
  380179.2313  0.5622 -6.5631 3 1465.8478A80  5951614046764 3 0    6763 4 0      C-13-H3C(O)CH3
  380179.2313  0.5622 -6.5631 3 1465.8478A80  5951614046764 4 0    6763 5 0      C-13-H3C(O)CH3
  380187.8312  0.0266 -5.2516 3  916.8344508  595161404631845 3    631846 3      C-13-H3C(O)CH3
  380187.8312  0.0266 -5.2516 3  916.8344508  595161404631945 3    631746 3      C-13-H3C(O)CH3
  380188.0070  0.0267 -5.2608 3  916.8344508  595161404631945 4    631846 4      C-13-H3C(O)CH3
  380188.0070  0.0267 -5.8632 3  916.8344508  595161404631845 4    631746 4      C-13-H3C(O)CH3
  380188.0070  0.0267 -5.3715 3  916.8344508  595161404631945 4    631746 4      C-13-H3C(O)CH3
  380205.7817  0.0070 -5.9657 3   56.2251248  5951614041511 5 1    14 8 7 1      C-13-H3C(O)CH3
  380262.7958  0.4371 -6.5631 3 1465.8684A80  5951614046764 3 1    6763 4 1      C-13-H3C(O)CH3
  380277.8388  0.0294 -6.0205 3  494.4722340  595161404422815 3    422518 3      C-13-H3C(O)CH3
  380295.1176  0.1246 -6.1441 3  689.3143404  595161404503020 3    502723 3      C-13-H3C(O)CH3
  380304.7724  0.0023 -6.6052 3  224.7733260  59516140432 824 4    31 823 4      C-13-H3C(O)CH3
  380304.7724  0.0023 -6.5548 3  224.7733260  59516140432 924 4    31 923 4      C-13-H3C(O)CH3
  380304.7910  0.0023 -3.7707 3  224.7733260 -59516140432 824 4    31 923 4      C-13-H3C(O)CH3
  380304.7910  0.0023 -3.7707 3  224.7733260 -59516140432 924 4    31 823 4      C-13-H3C(O)CH3
  380304.7910  0.0022 -3.7700 3  224.7732260 -59516140432 824 3    31 923 3      C-13-H3C(O)CH3
  380304.7910  0.0022 -3.7700 3  224.7732260 -59516140432 924 3    31 823 3      C-13-H3C(O)CH3
  380315.2624  0.1223 -6.1442 3  689.3144404  595161404503020 4    502723 4      C-13-H3C(O)CH3
  380325.6001  0.4101 -6.5630 3 1465.8458A80  5951614046764 4 2    6763 5 2      C-13-H3C(O)CH3
  380357.6581  0.0026 -3.4693 3  224.7797520 -59516140432 924 1    31 823 1      C-13-H3C(O)CH3
  380357.6581  0.0026 -3.4692 3  224.7797520 -59516140432 824 1    31 923 1      C-13-H3C(O)CH3
  380357.6680  0.0026 -6.6228 3  224.7797520  59516140432 924 1    31 923 1      C-13-H3C(O)CH3
  380357.6680  0.0026 -6.6080 3  224.7797520  59516140432 824 1    31 823 1      C-13-H3C(O)CH3
  380359.1008  0.0026 -5.3619 3  224.7786520  59516140432 824 2    31 823 2      C-13-H3C(O)CH3
  380359.1612  0.0026 -3.4745 3  224.7786520 -59516140432 824 2    31 923 2      C-13-H3C(O)CH3
  380359.1612  0.0026 -3.4690 3  224.7786520 -59516140432 924 2    31 823 2      C-13-H3C(O)CH3
  380404.4564  0.0476 -5.9998 3  554.4366728  595161404452619 0    442916 0      C-13-H3C(O)CH3
  380411.8291  0.0022 -3.4690 3  224.7851520 -59516140432 924 0    31 823 0      C-13-H3C(O)CH3
  380411.8291  0.0022 -3.4691 3  224.7851520 -59516140432 824 0    31 923 0      C-13-H3C(O)CH3
  380440.3317  0.4460 -6.5628 3 1465.8599A80  5951614046764 3 2    6763 4 2      C-13-H3C(O)CH3
  380441.0702  0.0075 -6.0219 3   56.2233248  5951614041511 5 2    14 8 7 2      C-13-H3C(O)CH3
  380487.3250  0.0087 -4.7537 3   74.2597280  5951614041712 6 2    16 9 7 2      C-13-H3C(O)CH3
  380620.3433  0.0026 -3.6299 3  119.2844344 -5951614042115 7 0    2014 6 0      C-13-H3C(O)CH3
  380622.6109  0.0647 -5.9896 3 1358.1245596  595161404742846 3    742747 3      C-13-H3C(O)CH3
  380622.6109  0.0647 -6.0014 3 1358.1245596  595161404742846 3    742847 3      C-13-H3C(O)CH3
  380622.6282  0.0647 -6.2269 3 1358.1245596  595161404742846 4    742747 4      C-13-H3C(O)CH3
  380622.6282  0.0647 -6.3611 3 1358.1245596  595161404742846 4    742847 4      C-13-H3C(O)CH3
  380622.6282  0.0647 -6.2269 3 1358.1245596  595161404742946 4    742847 4      C-13-H3C(O)CH3
  380622.6282  0.0647 -6.3611 3 1358.1245596  595161404742946 4    742747 4      C-13-H3C(O)CH3
  380623.0007  0.0291 -6.6043 3  352.6386284  595161404352610 4    352312 4      C-13-H3C(O)CH3
  380630.3047  0.0627 -5.6867 3 1358.1029B92  595161404742946 1    742847 1      C-13-H3C(O)CH3
  380630.3047  0.0627 -5.6867 3 1358.1029B92  595161404742846 1    742747 1      C-13-H3C(O)CH3
  380633.6597  0.0235 -4.8927 3  879.0302A00  595161404621745 0    621746 0      C-13-H3C(O)CH3
  380633.6597  0.0235 -4.9120 3  879.0302A00  595161404621845 0    621646 0      C-13-H3C(O)CH3
  380633.6597  0.0235 -6.2522 3  879.0302A00  595161404621845 0    621746 0      C-13-H3C(O)CH3
  380634.8879  0.0664 -5.6931 3 1358.1050B92  595161404742846 2    742847 2      C-13-H3C(O)CH3
  380634.8879  0.0664 -5.6931 3 1358.1050B92  595161404742946 2    742747 2      C-13-H3C(O)CH3
  380642.6134  0.0642 -5.7266 3 1358.0835B92  595161404742846 0    742847 0      C-13-H3C(O)CH3
  380642.6134  0.0642 -5.6951 3 1358.0835B92  595161404742946 0    742747 0      C-13-H3C(O)CH3
  380642.6134  0.0642 -6.7426 3 1358.0835B92  595161404742846 0    742747 0      C-13-H3C(O)CH3
  380685.4168  0.1220 -5.8454 3  689.3235808  595161404503020 2    502723 2      C-13-H3C(O)CH3
  380694.2609  0.0205 -6.2594 3  352.6591568  595161404352610 1    352312 1      C-13-H3C(O)CH3
  380726.0859  0.0278 -5.0524 3  879.0211A00  595161404621745 1    621746 1      C-13-H3C(O)CH3
  380726.0859  0.0278 -5.0524 3  879.0211A00  595161404621845 1    621646 1      C-13-H3C(O)CH3
  380726.0859  0.0278 -5.4033 3  879.0211A00  595161404621845 1    621746 1      C-13-H3C(O)CH3
  380726.0859  0.0278 -5.4033 3  879.0211A00  595161404621745 1    621646 1      C-13-H3C(O)CH3
  380727.8356  0.0286 -4.9015 3  879.0209A00  595161404621845 2    621746 2      C-13-H3C(O)CH3
  380727.8356  0.0286 -4.9015 3  879.0209A00  595161404621745 2    621646 2      C-13-H3C(O)CH3
  380727.8356  0.0286 -6.5738 3  879.0209A00  595161404621745 2    621746 2      C-13-H3C(O)CH3
  380727.8356  0.0286 -6.5738 3  879.0209A00  595161404621845 2    621646 2      C-13-H3C(O)CH3
  380730.4709  0.0294 -6.6127 3  352.6389284  595161404352610 3    352312 3      C-13-H3C(O)CH3
  380806.6949  0.0041 -4.7752 3   67.9468140  59516140417 8 9 3    16 710 3      C-13-H3C(O)CH3
  380807.8693  0.0209 -6.2136 3  352.6591568  5951614043526 9 1    352312 1      C-13-H3C(O)CH3
  380811.2728  0.0059 -4.7752 3   67.9468140  59516140417 8 9 4    16 710 4      C-13-H3C(O)CH3
  380820.3814  0.0249 -5.4586 3  879.0118500  595161404621845 3    621746 3      C-13-H3C(O)CH3
  380820.3814  0.0249 -5.4586 3  879.0118500  595161404621745 3    621646 3      C-13-H3C(O)CH3
  380820.3814  0.0249 -5.5328 3  879.0118500  595161404621745 3    621746 3      C-13-H3C(O)CH3
  380820.3814  0.0249 -5.5328 3  879.0118500  595161404621845 3    621646 3      C-13-H3C(O)CH3
  380820.5511  0.0249 -5.2229 3  879.0118500  595161404621845 4    621746 4      C-13-H3C(O)CH3
  380820.5511  0.0249 -6.3707 3  879.0118500  595161404621845 4    621646 4      C-13-H3C(O)CH3
  380820.5511  0.0249 -6.3707 3  879.0118500  595161404621745 4    621746 4      C-13-H3C(O)CH3
  380820.5511  0.0249 -5.2229 3  879.0118500  595161404621745 4    621646 4      C-13-H3C(O)CH3
  380836.9400  0.5351 -6.6558 3 1676.3195B76  5951614047365 9 0    736410 0      C-13-H3C(O)CH3
  380836.9400  0.5351 -6.6558 3 1676.3195B76  5951614047365 8 0    7364 9 0      C-13-H3C(O)CH3
  380882.8442  0.3979 -6.6557 3 1676.2959B76  5951614047365 8 2    7364 9 2      C-13-H3C(O)CH3
  380901.1231  0.0691 -5.8461 3  689.3260808  595161404503020 1    502723 1      C-13-H3C(O)CH3
  380912.0354  0.3935 -6.6557 3 1676.2924B76  5951614047365 9 1    736410 1      C-13-H3C(O)CH3
  380915.6631  0.4093 -6.6557 3 1676.3031B76  5951614047365 8 1    7364 9 1      C-13-H3C(O)CH3
  380924.1167  0.4580 -6.6192 3 1434.5597A64  5951614046664 3 1    6663 4 1      C-13-H3C(O)CH3
  380929.6328  0.0554 -6.1521 3  528.2404356  595161404442519 3    432816 3      C-13-H3C(O)CH3
  380948.3174  0.0179 -5.3201 3  445.4423632  595161404393010 0    3831 7 0      C-13-H3C(O)CH3
  380948.4431  0.0179 -5.3201 3  445.4423632  5951614043930 9 0    3831 8 0      C-13-H3C(O)CH3
  380950.8542  0.0283 -6.4739 3  352.6389284  5951614043526 9 3    352312 3      C-13-H3C(O)CH3
  380991.7456  0.0248 -6.3085 3  352.6601568  595161404352610 2    352312 2      C-13-H3C(O)CH3
  380993.6475  0.3769 -6.6556 3 1676.2862B76  5951614047365 9 2    736410 2      C-13-H3C(O)CH3
  381007.7391  0.0045 -4.4733 3   67.9087280 -59516140417 8 9 2    16 710 2      C-13-H3C(O)CH3
  381015.1023  0.0082 -5.7215 3   51.2232232  5951614041412 2 0    13 9 5 0      C-13-H3C(O)CH3
  381053.5894  0.0044 -4.4734 3   67.9101280 -59516140417 8 9 1    16 710 1      C-13-H3C(O)CH3
  381059.0401  0.0092 -5.1553 3  311.9733276  595161404342015 3    332112 3      C-13-H3C(O)CH3
  381068.1220  0.0183 -5.9359 3  352.6802568  5951614043526 9 0    352312 0      C-13-H3C(O)CH3
  381069.3845  0.0186 -5.3205 3  445.4266632  5951614043930 9 1    3831 7 1      C-13-H3C(O)CH3
  381072.8190  0.0301 -6.4795 3  352.6386284  5951614043526 9 4    352312 4      C-13-H3C(O)CH3
  381077.7029  0.0062 -5.1548 3  311.9726276  595161404342015 4    332112 4      C-13-H3C(O)CH3
  381080.3106  0.5954 -6.6190 3 1434.5732A64  5951614046664 3 0    6663 3 0      C-13-H3C(O)CH3
  381080.3106  0.5954 -6.6190 3 1434.5732A64  5951614046664 2 0    6663 4 0      C-13-H3C(O)CH3
  381129.0464  0.0068 -4.8554 3  311.9972552  595161404342015 1    332112 1      C-13-H3C(O)CH3
  381130.8488  0.0032 -3.7352 3  115.3131164  5951614042017 3 4    1916 3 4      C-13-H3C(O)CH3
  381141.1234  0.0033 -5.0795 3  119.2962172  5951614042115 6 3    2014 6 3      C-13-H3C(O)CH3
  381150.7626  0.4662 -6.6190 3 1434.6010A64  5951614046664 2 1    6663 3 1      C-13-H3C(O)CH3
  381151.4341  0.0173 -5.3191 3  445.4186632  595161404393010 2    3831 8 2      C-13-H3C(O)CH3
  381165.6661  0.0070 -4.7197 3   74.2266280  5951614041712 6 0    16 9 7 0      C-13-H3C(O)CH3
  381193.0650  0.0065 -4.8514 3  311.9892552  595161404342015 2    332112 2      C-13-H3C(O)CH3
  381201.9399  0.4331 -6.6189 3 1434.5789A64  5951614046664 3 2    6663 4 2      C-13-H3C(O)CH3
  381205.0971  0.0029 -3.7352 3  115.2461164  5951614042017 3 3    1916 3 3      C-13-H3C(O)CH3
  381212.1645  0.0180 -5.3197 3  445.3998632  595161404393010 1    3831 8 1      C-13-H3C(O)CH3
  381220.5673  0.0492 -6.1767 3  528.2309356  595161404442519 4    432816 4      C-13-H3C(O)CH3
  381232.4509  0.0209 -5.0537 3  841.7964984  595161404611745 0    611546 0      C-13-H3C(O)CH3
  381232.4509  0.0209 -5.2462 3  841.7964984  595161404611745 0    611646 0      C-13-H3C(O)CH3
  381232.4509  0.0209 -4.8836 3  841.7964984  595161404611645 0    611646 0      C-13-H3C(O)CH3
  381232.4509  0.0209 -5.8425 3  841.7964984  595161404611645 0    611546 0      C-13-H3C(O)CH3
  381246.2166  0.0032 -3.7350 3  115.2410164  5951614042017 4 3    1916 4 3      C-13-H3C(O)CH3
  381252.3736  0.0045 -4.4724 3   67.8720280 -59516140417 8 9 0    16 710 0      C-13-H3C(O)CH3
  381254.3946  0.0055 -4.8528 3  312.0134552  595161404342015 0    332112 0      C-13-H3C(O)CH3
  381269.7849  0.0197 -5.6205 3  445.4029316  5951614043930 9 3    3831 7 3      C-13-H3C(O)CH3
  381280.2340  0.0183 -5.3197 3  445.4348632  5951614043930 9 2    3831 7 2      C-13-H3C(O)CH3
  381287.1916  0.0711 -5.8484 3  689.3351808  595161404503020 0    502723 0      C-13-H3C(O)CH3
  381320.6779  0.0029 -3.7349 3  115.1742164 -5951614042017 4 4    1916 4 4      C-13-H3C(O)CH3
  381326.0913  0.0253 -6.1769 3  352.6601568  5951614043526 9 2    352312 2      C-13-H3C(O)CH3
  381327.1129  0.0248 -6.6284 3  841.7828984  595161404611745 1    611646 1      C-13-H3C(O)CH3
  381327.1129  0.0248 -4.8451 3  841.7828984  595161404611745 1    611546 1      C-13-H3C(O)CH3
  381327.1129  0.0248 -6.6284 3  841.7828984  595161404611645 1    611546 1      C-13-H3C(O)CH3
  381327.1129  0.0248 -4.8451 3  841.7828984  595161404611645 1    611646 1      C-13-H3C(O)CH3
  381328.3591  0.0252 -4.8830 3  841.7826984  595161404611645 2    611646 2      C-13-H3C(O)CH3
  381328.3591  0.0252 -5.8455 3  841.7826984  595161404611645 2    611546 2      C-13-H3C(O)CH3
  381328.3591  0.0252 -5.8455 3  841.7826984  595161404611745 2    611646 2      C-13-H3C(O)CH3
  381328.3591  0.0252 -4.8830 3  841.7826984  595161404611745 2    611546 2      C-13-H3C(O)CH3
  381331.0925  0.0023 -3.8329 3  230.5703268  59516140433 826 4    32 825 4      C-13-H3C(O)CH3
  381331.0925  0.0023 -3.8329 3  230.5703268  59516140433 726 4    32 725 4      C-13-H3C(O)CH3
  381331.1125  0.0023 -4.4472 3  230.5703268 -59516140433 726 4    32 825 4      C-13-H3C(O)CH3
  381331.1125  0.0023 -4.0037 3  230.5703268 -59516140433 726 3    32 825 3      C-13-H3C(O)CH3
  381331.1125  0.0023 -4.4472 3  230.5703268 -59516140433 826 4    32 725 4      C-13-H3C(O)CH3
  381331.1125  0.0023 -4.0784 3  230.5703268 -59516140433 826 3    32 825 3      C-13-H3C(O)CH3
  381331.1414  0.0023 -4.0037 3  230.5703268  59516140433 826 3    32 725 3      C-13-H3C(O)CH3
  381331.1414  0.0023 -4.0784 3  230.5703268  59516140433 726 3    32 725 3      C-13-H3C(O)CH3
  381345.9215  0.1461 -6.7771 3 1718.9397660  595161404823547 4    823548 4      C-13-H3C(O)CH3
  381345.9215  0.1461 -6.7771 3 1718.9397660  595161404823647 4    823448 4      C-13-H3C(O)CH3
  381358.6950  0.0028 -3.4335 3  115.2880328 -5951614042017 3 1    1916 3 1      C-13-H3C(O)CH3
  381372.2365  0.2909 -6.2006 3 1100.6661A16  595161404633924 0    633627 0      C-13-H3C(O)CH3
  381377.1127  0.0531 -5.8569 3  528.2467712  595161404442519 2    432816 2      C-13-H3C(O)CH3
  381381.7734  0.0027 -3.4541 3  230.5738536 -59516140433 726 1    32 725 1      C-13-H3C(O)CH3
  381381.7734  0.0027 -4.8583 3  230.5738536 -59516140433 826 1    32 725 1      C-13-H3C(O)CH3
  381381.8323  0.0027 -4.8583 3  230.5738536  59516140433 726 1    32 825 1      C-13-H3C(O)CH3
  381381.8323  0.0027 -3.4541 3  230.5738536  59516140433 826 1    32 825 1      C-13-H3C(O)CH3
  381382.8171  0.0026 -6.2614 3  230.5729536  59516140433 726 2    32 725 2      C-13-H3C(O)CH3
  381382.8171  0.0026 -3.4380 3  230.5729536  59516140433 826 2    32 725 2      C-13-H3C(O)CH3
  381382.8485  0.0026 -3.4380 3  230.5729536 -59516140433 726 2    32 825 2      C-13-H3C(O)CH3
  381382.8485  0.0026 -6.2614 3  230.5729536 -59516140433 826 2    32 825 2      C-13-H3C(O)CH3
  381384.9721  0.1643 -6.6447 3 1718.9323D20  595161404823647 2    823448 2      C-13-H3C(O)CH3
  381384.9721  0.1643 -6.6441 3 1718.9323D20  595161404823647 2    823548 2      C-13-H3C(O)CH3
  381384.9721  0.1643 -6.6441 3 1718.9323D20  595161404823547 2    823448 2      C-13-H3C(O)CH3
  381384.9721  0.1643 -6.6447 3 1718.9323D20  595161404823547 2    823548 2      C-13-H3C(O)CH3
  381387.1319  0.1802 -6.3987 3 1718.9290D20  595161404823547 1    823548 1      C-13-H3C(O)CH3
  381387.1319  0.1802 -6.3987 3 1718.9290D20  595161404823647 1    823448 1      C-13-H3C(O)CH3
  381389.2979  0.4767 -6.6187 3 1434.5956A64  5951614046664 2 2    6663 3 2      C-13-H3C(O)CH3
  381399.5670  0.0218 -5.6211 3  445.4191316  5951614043930 9 4    3831 7 4      C-13-H3C(O)CH3
  381410.8387  0.0029 -3.4333 3  115.2961328 -5951614042017 3 2    1916 3 2      C-13-H3C(O)CH3
  381413.2889  0.0194 -5.6197 3  445.3760316  595161404393010 4    3831 8 4      C-13-H3C(O)CH3
  381423.1411  0.0233 -5.1424 3  841.7691492  595161404611645 3    611646 3      C-13-H3C(O)CH3
  381423.1411  0.0233 -5.1424 3  841.7691492  595161404611745 3    611546 3      C-13-H3C(O)CH3
  381423.2955  0.0233 -5.1387 3  841.7690492  595161404611645 4    611546 4      C-13-H3C(O)CH3
  381423.2955  0.0233 -5.1387 3  841.7690492  595161404611745 4    611646 4      C-13-H3C(O)CH3
  381426.0603  0.1836 -6.3607 3 1718.9217D20  595161404823647 0    823548 0      C-13-H3C(O)CH3
  381426.0603  0.1836 -6.3607 3 1718.9217D20  595161404823547 0    823448 0      C-13-H3C(O)CH3
  381433.3969  0.0022 -3.4529 3  230.5764536 -59516140433 826 0    32 725 0      C-13-H3C(O)CH3
  381433.3969  0.0022 -4.8906 3  230.5764536 -59516140433 726 0    32 725 0      C-13-H3C(O)CH3
  381433.4023  0.0022 -3.4399 3  230.5764536  59516140433 826 0    32 825 0      C-13-H3C(O)CH3
  381433.4023  0.0022 -5.6682 3  230.5764536  59516140433 726 0    32 825 0      C-13-H3C(O)CH3
  381447.9209  0.0030 -4.0136 3  119.3254172  5951614042115 6 4    2014 6 4      C-13-H3C(O)CH3
  381454.7076  0.0442 -6.5787 3  642.6050728  5951614044541 4 1    4442 2 1      C-13-H3C(O)CH3
  381473.2768  0.0028 -3.4332 3  115.2160328 -5951614042017 4 1    1916 4 1      C-13-H3C(O)CH3
  381484.3315  0.0029 -3.4332 3  115.2293328 -5951614042017 4 2    1916 4 2      C-13-H3C(O)CH3
  381495.4164  0.4726 -6.2433 3 1137.7443A32  595161404644024 0    643727 0      C-13-H3C(O)CH3
  381513.1096  0.0031 -3.8412 3  119.3007344 -5951614042115 6 1    2014 6 1      C-13-H3C(O)CH3
  381530.9640  0.0035 -3.9149 3  119.2983344 -5951614042115 6 2    2014 6 2      C-13-H3C(O)CH3
  381541.2507  0.0192 -5.6203 3  445.3923316  595161404393010 3    3831 8 3      C-13-H3C(O)CH3
  381544.2874  0.2233 -6.1998 3 1100.6683A16  595161404633924 2    633627 2      C-13-H3C(O)CH3
  381546.8464  0.0109 -6.1668 3   51.2573232  5951614041412 2 1    13 9 5 1      C-13-H3C(O)CH3
  381576.6325  0.0055 -4.7743 3   67.9463140  59516140417 9 9 4    16 610 4      C-13-H3C(O)CH3
  381578.4475  0.0039 -4.7743 3   67.9462140  59516140417 9 9 3    16 610 3      C-13-H3C(O)CH3
  381589.6200  0.0562 -5.6078 3 1313.9474B76  595161404732846 1    732647 1      C-13-H3C(O)CH3
  381589.6200  0.0562 -5.6078 3 1313.9474B76  595161404732746 1    732747 1      C-13-H3C(O)CH3
  381590.6069  0.0586 -6.3413 3 1313.9687588  595161404732746 3    732647 3      C-13-H3C(O)CH3
  381590.6069  0.0586 -6.1087 3 1313.9687588  595161404732746 3    732747 3      C-13-H3C(O)CH3
  381590.6069  0.0586 -6.1087 3 1313.9687588  595161404732846 3    732647 3      C-13-H3C(O)CH3
  381590.6069  0.0586 -6.3413 3 1313.9687588  595161404732846 3    732747 3      C-13-H3C(O)CH3
  381590.6426  0.0587 -5.9149 3 1313.9687588  595161404732846 4    732647 4      C-13-H3C(O)CH3
  381590.6426  0.0587 -6.0305 3 1313.9687588  595161404732746 4    732747 4      C-13-H3C(O)CH3
  381590.6426  0.0587 -6.5199 3 1313.9687588  595161404732846 4    732747 4      C-13-H3C(O)CH3
  381593.5978  0.0567 -5.7580 3 1313.9278B76  595161404732746 0    732747 0      C-13-H3C(O)CH3
  381593.5978  0.0567 -5.7475 3 1313.9278B76  595161404732846 0    732647 0      C-13-H3C(O)CH3
  381593.5978  0.0567 -6.1408 3 1313.9278B76  595161404732846 0    732747 0      C-13-H3C(O)CH3
  381593.5978  0.0567 -6.1672 3 1313.9278B76  595161404732746 0    732647 0      C-13-H3C(O)CH3
  381594.5425  0.0612 -5.6094 3 1313.9491B76  595161404732846 2    732647 2      C-13-H3C(O)CH3
  381594.5425  0.0612 -5.6094 3 1313.9491B76  595161404732746 2    732747 2      C-13-H3C(O)CH3
  381614.8940  0.0458 -6.5793 3  642.5776728  5951614044541 4 2    4442 2 2      C-13-H3C(O)CH3
  381619.0727  0.0106 -6.1482 3   51.2586232  5951614041412 2 2    13 9 5 2      C-13-H3C(O)CH3
  381636.2820  0.0030 -3.4326 3  115.2710328 -5951614042017 4 0    1916 3 0      C-13-H3C(O)CH3
  381638.7312  0.0030 -3.4326 3  115.2710328 -5951614042017 3 0    1916 4 0      C-13-H3C(O)CH3
  381651.1476  0.2767 -6.1998 3 1100.6632A16  595161404633924 1    633627 1      C-13-H3C(O)CH3
  381690.2854  0.0389 -6.5493 3  494.4905680  595161404422814 2    422518 2      C-13-H3C(O)CH3
  381723.8803  0.0045 -5.6548 3   56.2651124  5951614041511 4 3    14 8 7 3      C-13-H3C(O)CH3
  381724.2512  0.0305 -5.8476 3  528.2449712  595161404442519 1    432816 1      C-13-H3C(O)CH3
  381733.7896  0.4879 -6.7273 3 1403.7754A48  5951614046564 2 1    6563 3 1      C-13-H3C(O)CH3
  381757.9546  0.0460 -6.5786 3  642.5447728  5951614044541 5 1    4442 3 1      C-13-H3C(O)CH3
  381777.3603  0.0064 -6.6221 3  155.3711204  595161404251114 3    25 817 3      C-13-H3C(O)CH3
  381777.5209  0.0081 -6.6221 3  155.3712204  595161404251114 4    25 817 4      C-13-H3C(O)CH3
  381797.2717  0.0064 -6.6220 3  155.3711204  595161404251214 3    25 917 3      C-13-H3C(O)CH3
  381797.3264  0.0081 -6.6221 3  155.3712204  595161404251214 4    25 917 4      C-13-H3C(O)CH3
  381804.3859  0.0043 -4.4724 3   67.9081280  59516140417 9 9 2    16 610 2      C-13-H3C(O)CH3
  381808.7978  0.0183 -4.8340 3  805.1433968  595161404601545 0    601546 0      C-13-H3C(O)CH3
  381808.7978  0.0183 -5.7745 3  805.1433968  595161404601545 0    601446 0      C-13-H3C(O)CH3
  381808.7978  0.0183 -5.7745 3  805.1433968  595161404601645 0    601546 0      C-13-H3C(O)CH3
  381808.7978  0.0183 -4.8340 3  805.1433968  595161404601645 0    601446 0      C-13-H3C(O)CH3
  381819.8044  0.1467 -6.4998 3 1100.6652508  595161404633924 3    633627 3      C-13-H3C(O)CH3
  381821.0885  0.0378 -6.5773 3  642.5562728  5951614044541 4 0    4442 2 0      C-13-H3C(O)CH3
  381821.0885  0.0378 -6.5773 3  642.5562728  5951614044541 5 0    4442 3 0      C-13-H3C(O)CH3
  381832.5935  0.0041 -4.4725 3   67.9095280  59516140417 9 9 1    16 610 1      C-13-H3C(O)CH3
  381858.1072  0.1678 -6.5005 3 1100.6652508  595161404633924 4    633627 4      C-13-H3C(O)CH3
  381859.3771  0.0426 -6.5702 3  605.4764356  5951614044439 5 4    4340 3 4      C-13-H3C(O)CH3
  381892.3060  0.0328 -6.2677 3  605.4659712  5951614044439 5 1    4340 3 1      C-13-H3C(O)CH3
  381902.3361  0.0219 -5.8915 3  805.1254968  595161404601645 1    601446 1      C-13-H3C(O)CH3
  381902.3361  0.0219 -4.8221 3  805.1254968  595161404601545 1    601446 1      C-13-H3C(O)CH3
  381902.3361  0.0219 -5.8915 3  805.1254968  595161404601545 1    601546 1      C-13-H3C(O)CH3
  381902.3361  0.0219 -4.8221 3  805.1254968  595161404601645 1    601546 1      C-13-H3C(O)CH3
  381903.1269  0.0220 -4.8587 3  805.1252968  595161404601545 2    601446 2      C-13-H3C(O)CH3
  381903.1269  0.0220 -5.6016 3  805.1252968  595161404601545 2    601546 2      C-13-H3C(O)CH3
  381903.1269  0.0220 -5.6016 3  805.1252968  595161404601645 2    601446 2      C-13-H3C(O)CH3
  381903.1269  0.0220 -4.8587 3  805.1252968  595161404601645 2    601546 2      C-13-H3C(O)CH3
  381941.3168  0.6334 -6.7270 3 1403.7886A48  5951614046564 1 0    6563 3 0      C-13-H3C(O)CH3
  381941.3168  0.6334 -6.7270 3 1403.7886A48  5951614046564 2 0    6563 2 0      C-13-H3C(O)CH3
  381950.8161  0.0035 -4.0153 3  119.1949172  5951614042115 7 4    2014 7 4      C-13-H3C(O)CH3
  381972.3884  0.5420 -6.6317 3 1642.1198B60  5951614047265 7 0    7264 8 0      C-13-H3C(O)CH3
  381972.3884  0.5420 -6.6317 3 1642.1198B60  5951614047265 8 0    7264 9 0      C-13-H3C(O)CH3
  381993.2025  0.4994 -6.7271 3 1403.8238A48  5951614046564 1 1    6563 2 1      C-13-H3C(O)CH3
  381996.7827  0.0218 -5.3979 3  805.1073484  595161404601645 3    601546 3      C-13-H3C(O)CH3
  381996.7827  0.0218 -5.7811 3  805.1073484  595161404601645 3    601446 3      C-13-H3C(O)CH3
  381996.7827  0.0218 -5.1855 3  805.1073484  595161404601545 3    601446 3      C-13-H3C(O)CH3
  381996.7827  0.0218 -5.3789 3  805.1073484  595161404601545 3    601546 3      C-13-H3C(O)CH3
  381996.9111  0.0218 -5.3837 3  805.1073484  595161404601545 4    601446 4      C-13-H3C(O)CH3
  381996.9111  0.0218 -5.3930 3  805.1073484  595161404601645 4    601446 4      C-13-H3C(O)CH3
  381996.9111  0.0218 -5.3930 3  805.1073484  595161404601545 4    601546 4      C-13-H3C(O)CH3
  381996.9111  0.0218 -5.3837 3  805.1073484  595161404601645 4    601546 4      C-13-H3C(O)CH3
  382001.1406  0.0175 -6.0953 3  545.6286364  595161404452421 3    442718 3      C-13-H3C(O)CH3
  382001.2509  0.0062 -6.3190 3  155.3638408  595161404251114 2    25 817 2      C-13-H3C(O)CH3
  382010.6195  0.0183 -6.6613 3  249.9911236  5951614042924 6 3    2921 8 3      C-13-H3C(O)CH3
  382016.6680  0.4039 -6.6316 3 1642.0954B60  5951614047265 8 1    7264 9 1      C-13-H3C(O)CH3
  382021.7629  0.0062 -6.3190 3  155.3638408  595161404251214 2    25 917 2      C-13-H3C(O)CH3
  382022.5857  0.0352 -5.8396 3  528.2561712  595161404442519 0    432816 0      C-13-H3C(O)CH3
  382028.2156  0.4581 -6.7271 3 1403.8022A48  5951614046564 2 2    6563 3 2      C-13-H3C(O)CH3
  382029.0880  0.0174 -6.0953 3  545.6277364  595161404452421 4    442718 4      C-13-H3C(O)CH3
  382040.2407  0.4980 -6.2442 3 1137.7428A32  595161404644024 2    643727 2      C-13-H3C(O)CH3
  382047.3324  0.0062 -6.3189 3  155.3653408  595161404251114 1    25 817 1      C-13-H3C(O)CH3
  382058.1893  0.4093 -6.6316 3 1642.1006B60  5951614047265 7 2    7264 8 2      C-13-H3C(O)CH3
  382058.4951  0.4164 -6.6316 3 1642.1094B60  5951614047265 7 1    7264 8 1      C-13-H3C(O)CH3
  382059.0651  0.0043 -4.4716 3   67.8714280  59516140417 9 9 0    16 610 0      C-13-H3C(O)CH3
  382067.0925  0.0062 -6.3188 3  155.3653408  595161404251214 1    25 917 1      C-13-H3C(O)CH3
  382134.7809  0.0207 -5.7934 3  545.6417728  595161404452421 2    442718 2      C-13-H3C(O)CH3
  382136.1249  0.3839 -6.6315 3 1642.0913B60  5951614047265 8 2    7264 9 2      C-13-H3C(O)CH3
  382140.0279  0.0331 -6.2678 3  605.4415712  5951614044439 5 2    4340 3 2      C-13-H3C(O)CH3
  382148.5629  0.0451 -6.5776 3  642.5261728  5951614044541 5 2    4442 3 2      C-13-H3C(O)CH3
  382161.3240  0.0225 -6.6570 3  250.0063236  5951614042924 5 4    2921 8 4      C-13-H3C(O)CH3
  382172.8784  0.0303 -6.2664 3  605.4308712  5951614044439 5 0    4340 3 0      C-13-H3C(O)CH3
  382172.8784  0.0303 -6.2664 3  605.4308712  5951614044439 6 0    4340 4 0      C-13-H3C(O)CH3
  382176.9748  0.0195 -5.7946 3  545.6444728  595161404452421 1    442718 1      C-13-H3C(O)CH3
  382192.7220  0.0091 -5.8705 3  272.2951520  595161404321715 2    321418 2      C-13-H3C(O)CH3
  382196.1372  0.0411 -6.5697 3  605.4179356  5951614044439 6 3    4340 4 3      C-13-H3C(O)CH3
  382199.0781  0.0204 -5.6908 3  515.5073696  595161404432816 0    432519 0      C-13-H3C(O)CH3
  382225.6089  0.0480 -6.6466 3  494.4719340  595161404422814 4    422518 4      C-13-H3C(O)CH3
  382227.9482  0.0362 -6.2672 3  605.4072712  5951614044439 6 1    4340 4 1      C-13-H3C(O)CH3
  382238.9556  0.0034 -3.8415 3  119.2081344 -5951614042115 7 1    2014 7 1      C-13-H3C(O)CH3
  382243.4853  0.0102 -6.1721 3  272.2755260  595161404321715 3    321418 3      C-13-H3C(O)CH3
  382246.3371  0.0105 -6.1721 3  272.2755260  595161404321715 4    321418 4      C-13-H3C(O)CH3
  382254.5187  0.0033 -5.0772 3  119.2244172  5951614042115 7 3    2014 7 3      C-13-H3C(O)CH3
  382268.0578  0.0080 -5.8695 3  272.3179520  595161404321715 0    321418 0      C-13-H3C(O)CH3
  382268.5067  0.4409 -6.2448 3 1137.7356A32  595161404644024 1    643727 1      C-13-H3C(O)CH3
  382270.7218  0.0060 -6.3164 3  155.3579408  595161404251114 0    25 817 0      C-13-H3C(O)CH3
  382291.1115  0.0060 -6.3164 3  155.3579408  595161404251214 0    25 917 0      C-13-H3C(O)CH3
  382296.2822  0.5114 -6.7267 3 1403.8228A48  5951614046564 1 2    6563 2 2      C-13-H3C(O)CH3
  382296.3495  0.0198 -5.7938 3  545.6580728  595161404452421 0    442718 0      C-13-H3C(O)CH3
  382297.6835  0.0408 -6.5685 3  605.4343356  5951614044439 5 3    4340 3 3      C-13-H3C(O)CH3
  382318.8941  0.0092 -5.8703 3  272.2982520  595161404321715 1    321418 1      C-13-H3C(O)CH3
  382334.0051  0.0035 -3.9154 3  119.2140344 -5951614042115 7 2    2014 7 2      C-13-H3C(O)CH3
  382352.0253  0.0197 -6.6500 3  249.9624236  5951614042924 6 4    2921 9 4      C-13-H3C(O)CH3
  382352.3619  0.0147 -6.6131 3   51.2864116  5951614041412 2 4    13 9 5 4      C-13-H3C(O)CH3
  382364.6112  0.0158 -4.8055 3  769.0716952  595161404591545 0    591446 0      C-13-H3C(O)CH3
  382364.6112  0.0158 -4.8055 3  769.0716952  595161404591445 0    591346 0      C-13-H3C(O)CH3
  382364.6112  0.0158 -5.5831 3  769.0716952  595161404591545 0    591346 0      C-13-H3C(O)CH3
  382364.6112  0.0158 -5.5831 3  769.0716952  595161404591445 0    591446 0      C-13-H3C(O)CH3
  382384.8151  0.0023 -3.7249 3  235.8167276 -59516140434 728 4    33 627 4      C-13-H3C(O)CH3
  382384.8151  0.0023 -4.0378 3  235.8167276 -59516140434 728 3    33 627 3      C-13-H3C(O)CH3
  382384.8151  0.0023 -3.7249 3  235.8167276 -59516140434 628 4    33 727 4      C-13-H3C(O)CH3
  382384.8151  0.0023 -4.0378 3  235.8167276 -59516140434 628 3    33 727 3      C-13-H3C(O)CH3
  382384.8223  0.0023 -5.1600 3  235.8167276  59516140434 628 4    33 627 4      C-13-H3C(O)CH3
  382384.8223  0.0023 -5.1600 3  235.8167276  59516140434 728 4    33 727 4      C-13-H3C(O)CH3
  382384.8576  0.0023 -3.9843 3  235.8167276  59516140434 628 3    33 627 3      C-13-H3C(O)CH3
  382384.8576  0.0023 -3.9843 3  235.8167276  59516140434 728 3    33 727 3      C-13-H3C(O)CH3
  382412.1038  0.0188 -5.6953 3  515.4890696  595161404432816 1    432519 1      C-13-H3C(O)CH3
  382433.3111  0.0027 -4.6611 3  235.8161552 -59516140434 628 1    33 627 1      C-13-H3C(O)CH3
  382433.3111  0.0027 -3.4331 3  235.8161552 -59516140434 728 1    33 627 1      C-13-H3C(O)CH3
  382433.3332  0.0027 -3.4331 3  235.8161552  59516140434 628 1    33 727 1      C-13-H3C(O)CH3
  382433.3332  0.0027 -4.6611 3  235.8161552  59516140434 728 1    33 727 1      C-13-H3C(O)CH3
  382434.0054  0.0027 -6.1173 3  235.8154552  59516140434 728 2    33 627 2      C-13-H3C(O)CH3
  382434.0054  0.0027 -6.1173 3  235.8154552  59516140434 628 2    33 727 2      C-13-H3C(O)CH3
  382434.0292  0.0027 -3.4090 3  235.8154552 -59516140434 728 2    33 727 2      C-13-H3C(O)CH3
  382434.0292  0.0027 -3.4090 3  235.8154552 -59516140434 628 2    33 627 2      C-13-H3C(O)CH3
  382453.0022  0.0194 -4.7693 3  769.0497952  595161404591445 1    591446 1      C-13-H3C(O)CH3
  382453.0022  0.0194 -5.8982 3  769.0497952  595161404591445 1    591346 1      C-13-H3C(O)CH3
  382453.0022  0.0194 -5.8982 3  769.0497952  595161404591545 1    591446 1      C-13-H3C(O)CH3
  382453.0022  0.0194 -4.7693 3  769.0497952  595161404591545 1    591346 1      C-13-H3C(O)CH3
  382453.4014  0.0192 -4.8679 3  769.0495952  595161404591445 2    591346 2      C-13-H3C(O)CH3
  382453.4014  0.0192 -5.3263 3  769.0495952  595161404591545 2    591346 2      C-13-H3C(O)CH3
  382453.4014  0.0192 -4.8679 3  769.0495952  595161404591545 2    591446 2      C-13-H3C(O)CH3
  382453.4014  0.0192 -5.3263 3  769.0495952  595161404591445 2    591446 2      C-13-H3C(O)CH3
  382482.3565  0.0023 -5.3681 3  235.8148552 -59516140434 728 0    33 627 0      C-13-H3C(O)CH3
  382482.3565  0.0023 -3.4129 3  235.8148552 -59516140434 628 0    33 627 0      C-13-H3C(O)CH3
  382482.3788  0.0023 -5.3681 3  235.8148552  59516140434 628 0    33 727 0      C-13-H3C(O)CH3
  382482.3788  0.0023 -3.4129 3  235.8148552  59516140434 728 0    33 727 0      C-13-H3C(O)CH3
  382497.7622  0.0172 -6.3547 3  250.0198472  5951614042924 5 1    2921 8 1      C-13-H3C(O)CH3
  382501.0670  0.0186 -6.6623 3  249.9776236  5951614042924 5 3    2921 9 3      C-13-H3C(O)CH3
  382502.8551  0.0509 -5.5405 3 1270.3412B60  595161404722646 0    722547 0      C-13-H3C(O)CH3
  382502.8551  0.0509 -5.5405 3 1270.3412B60  595161404722746 0    722647 0      C-13-H3C(O)CH3
  382508.2039  0.0519 -6.2927 3 1270.3603B60  595161404722746 1    722647 1      C-13-H3C(O)CH3
  382508.2039  0.0519 -5.6125 3 1270.3603B60  595161404722746 1    722547 1      C-13-H3C(O)CH3
  382508.2039  0.0519 -5.6125 3 1270.3603B60  595161404722646 1    722647 1      C-13-H3C(O)CH3
  382508.2039  0.0519 -6.2927 3 1270.3603B60  595161404722646 1    722547 1      C-13-H3C(O)CH3
  382513.3119  0.0574 -5.5328 3 1270.3618B60  595161404722746 2    722647 2      C-13-H3C(O)CH3
  382513.3119  0.0574 -5.5328 3 1270.3618B60  595161404722646 2    722547 2      C-13-H3C(O)CH3
  382518.7129  0.0535 -5.8313 3 1270.3809580  595161404722646 3    722647 3      C-13-H3C(O)CH3
  382518.7129  0.0535 -5.8313 3 1270.3809580  595161404722746 3    722547 3      C-13-H3C(O)CH3
  382518.7682  0.0535 -5.8343 3 1270.3809580  595161404722646 4    722547 4      C-13-H3C(O)CH3
  382518.7682  0.0535 -5.8373 3 1270.3809580  595161404722746 4    722647 4      C-13-H3C(O)CH3
  382541.9035  0.0204 -5.9217 3  769.0276476  595161404591445 3    591346 3      C-13-H3C(O)CH3
  382541.9035  0.0204 -5.0999 3  769.0276476  595161404591445 3    591446 3      C-13-H3C(O)CH3
  382541.9035  0.0204 -5.0999 3  769.0276476  595161404591545 3    591346 3      C-13-H3C(O)CH3
  382541.9035  0.0204 -5.9217 3  769.0276476  595161404591545 3    591446 3      C-13-H3C(O)CH3
  382541.9939  0.0204 -5.2829 3  769.0275476  595161404591545 4    591446 4      C-13-H3C(O)CH3
  382541.9939  0.0204 -5.4057 3  769.0275476  595161404591545 4    591346 4      C-13-H3C(O)CH3
  382541.9939  0.0204 -5.4057 3  769.0275476  595161404591445 4    591446 4      C-13-H3C(O)CH3
  382541.9939  0.0204 -5.2829 3  769.0275476  595161404591445 4    591346 4      C-13-H3C(O)CH3
  382576.5180  0.0346 -6.2661 3  605.3993712  5951614044439 6 2    4340 4 2      C-13-H3C(O)CH3
  382609.6109  0.0234 -5.7034 3  515.4842696  595161404432816 2    432519 2      C-13-H3C(O)CH3
  382615.0301  0.1305 -6.6967 3 1670.2458652  595161404813447 4    813348 4      C-13-H3C(O)CH3
  382615.0301  0.1305 -6.6967 3 1670.2458652  595161404813547 4    813448 4      C-13-H3C(O)CH3
  382615.0954  0.1306 -6.5947 3 1670.2458652  595161404813447 3    813448 3      C-13-H3C(O)CH3
  382615.0954  0.1306 -6.5947 3 1670.2458652  595161404813547 3    813348 3      C-13-H3C(O)CH3
  382616.7290  0.0046 -5.3473 3   56.1837248  5951614041511 4 0    14 8 7 0      C-13-H3C(O)CH3
  382631.1343  0.0455 -6.5680 3  605.3758356  5951614044439 6 4    4340 4 4      C-13-H3C(O)CH3
  382654.2468  0.1458 -6.2919 3 1670.2360D04  595161404813447 2    813448 2      C-13-H3C(O)CH3
  382654.2468  0.1458 -6.6951 3 1670.2360D04  595161404813547 2    813448 2      C-13-H3C(O)CH3
  382654.2468  0.1458 -6.4450 3 1670.2360D04  595161404813547 2    813348 2      C-13-H3C(O)CH3
  382655.1910  0.1586 -6.2535 3 1670.2328D04  595161404813447 1    813348 1      C-13-H3C(O)CH3
  382655.1910  0.1586 -6.2535 3 1670.2328D04  595161404813547 1    813448 1      C-13-H3C(O)CH3
  382658.2723  0.0058 -5.4516 3   56.2233248  5951614041511 4 2    14 8 7 2      C-13-H3C(O)CH3
  382659.1049  0.0057 -5.4676 3   56.2251248  5951614041511 4 1    14 8 7 1      C-13-H3C(O)CH3
  382685.9124  0.0213 -6.0201 3  515.4658348  595161404432816 4    432519 4      C-13-H3C(O)CH3
  382694.3028  0.1621 -6.2543 3 1670.2230D04  595161404813547 0    813348 0      C-13-H3C(O)CH3
  382694.3028  0.1621 -6.2543 3 1670.2230D04  595161404813447 0    813448 0      C-13-H3C(O)CH3
  382716.3101  0.0259 -6.0039 3  569.6307696  5951614044337 6 1    4238 4 1      C-13-H3C(O)CH3
  382748.0620  0.1687 -6.2086 3  775.5546428  595161404533221 3    532924 3      C-13-H3C(O)CH3
  382754.7701  0.0172 -6.3581 3  250.0074472  5951614042924 6 2    2921 9 2      C-13-H3C(O)CH3
  382773.5668  0.1646 -6.2088 3  775.5547428  595161404533221 4    532924 4      C-13-H3C(O)CH3
  382802.3026  0.3691 -6.5460 3 1137.7339516  595161404644024 3    643727 3      C-13-H3C(O)CH3
  382829.0438  0.0170 -6.3518 3  249.9914472  5951614042924 6 1    2921 9 1      C-13-H3C(O)CH3
  382833.1389  0.0313 -6.3059 3  569.6339348  5951614044337 6 4    4238 4 4      C-13-H3C(O)CH3
  382851.9303  0.4222 -6.5474 3 1137.7340516  595161404644024 4    643727 4      C-13-H3C(O)CH3
  382855.3483  0.0119 -5.7083 3  394.3514616  595161404382316 0    382019 0      C-13-H3C(O)CH3
  382891.3494  0.0167 -6.3621 3  250.0231472  5951614042924 5 2    2921 8 2      C-13-H3C(O)CH3
  382896.5263  0.0255 -6.0027 3  569.6091696  5951614044337 6 0    4238 5 0      C-13-H3C(O)CH3
  382896.5263  0.0255 -6.0027 3  569.6091696  5951614044337 7 0    4238 4 0      C-13-H3C(O)CH3
  382901.8106  0.0136 -6.7636 3  733.5820936  595161404581445 0    581346 0      C-13-H3C(O)CH3
  382901.8106  0.0136 -6.7636 3  733.5820936  595161404581345 0    581246 0      C-13-H3C(O)CH3
  382901.8106  0.0136 -4.6972 3  733.5820936  595161404581445 0    581246 0      C-13-H3C(O)CH3
  382901.8106  0.0136 -4.6972 3  733.5820936  595161404581345 0    581346 0      C-13-H3C(O)CH3
  382947.2611  0.0125 -5.7084 3  394.3229616  595161404382316 2    382019 2      C-13-H3C(O)CH3
  382965.6471  0.0122 -5.7083 3  394.3271616  595161404382316 1    382019 1      C-13-H3C(O)CH3
  382967.0709  0.0258 -5.9947 3  515.4660348  595161404432816 3    432519 3      C-13-H3C(O)CH3
  382980.3292  0.0174 -4.6936 3  733.5567936  595161404581445 1    581246 1      C-13-H3C(O)CH3
  382980.3292  0.0174 -4.6936 3  733.5567936  595161404581345 1    581346 1      C-13-H3C(O)CH3
  382980.4126  0.0170 -4.7219 3  733.5564936  595161404581445 2    581346 2      C-13-H3C(O)CH3
  382980.4126  0.0170 -5.8872 3  733.5564936  595161404581445 2    581246 2      C-13-H3C(O)CH3
  382980.4126  0.0170 -5.8872 3  733.5564936  595161404581345 2    581346 2      C-13-H3C(O)CH3
  382980.4126  0.0170 -4.7219 3  733.5564936  595161404581345 2    581246 2      C-13-H3C(O)CH3
  383012.4002  0.0263 -6.0036 3  569.6124696  5951614044337 6 2    4238 4 2      C-13-H3C(O)CH3
  383047.5481  0.0301 -6.0031 3  569.5767696  5951614044337 7 1    4238 5 1      C-13-H3C(O)CH3
  383053.9350  0.0122 -6.0094 3  394.2985308  595161404382316 4    382019 4      C-13-H3C(O)CH3
  383054.1887  0.5550 -6.6155 3 1608.4157B44  5951614047165 6 0    7164 7 0      C-13-H3C(O)CH3
  383054.1887  0.5550 -6.6155 3 1608.4157B44  5951614047165 7 0    7164 8 0      C-13-H3C(O)CH3
  383059.0311  0.0190 -5.6078 3  733.5311468  595161404581345 3    581246 3      C-13-H3C(O)CH3
  383059.0311  0.0190 -5.1151 3  733.5311468  595161404581345 3    581346 3      C-13-H3C(O)CH3
  383059.0311  0.0190 -5.1151 3  733.5311468  595161404581445 3    581246 3      C-13-H3C(O)CH3
  383059.0311  0.0190 -5.6078 3  733.5311468  595161404581445 3    581346 3      C-13-H3C(O)CH3
  383059.0707  0.0189 -5.0509 3  733.5310468  595161404581345 4    581246 4      C-13-H3C(O)CH3
  383059.0707  0.0189 -5.9049 3  733.5310468  595161404581345 4    581346 4      C-13-H3C(O)CH3
  383059.0707  0.0189 -5.9049 3  733.5310468  595161404581445 4    581246 4      C-13-H3C(O)CH3
  383059.0707  0.0189 -5.0509 3  733.5310468  595161404581445 4    581346 4      C-13-H3C(O)CH3
  383059.3366  0.0079 -5.8485 3   56.2647124  5951614041511 4 4    14 8 7 4      C-13-H3C(O)CH3
  383059.6373  0.0120 -6.0093 3  394.2985308  595161404382316 3    382019 3      C-13-H3C(O)CH3
  383063.0012  0.4189 -6.6155 3 1608.3935B44  5951614047165 7 1    7164 8 1      C-13-H3C(O)CH3
  383143.0353  0.4279 -6.6155 3 1608.4115B44  5951614047165 6 1    7164 7 1      C-13-H3C(O)CH3
  383143.4786  0.0321 -6.3042 3  569.6005348  5951614044337 6 3    4238 4 3      C-13-H3C(O)CH3
  383164.1294  0.0331 -6.3051 3  569.5800348  5951614044337 7 3    4238 5 3      C-13-H3C(O)CH3
  383177.4244  0.0180 -6.3535 3  250.0381472  5951614042924 5 0    2921 8 0      C-13-H3C(O)CH3
  383182.5211  0.4244 -6.6154 3 1608.4019B44  5951614047165 6 2    7164 7 2      C-13-H3C(O)CH3
  383204.6120  0.1662 -5.9104 3  775.5591856  595161404533221 2    532924 2      C-13-H3C(O)CH3
  383219.4852  0.3961 -6.6153 3 1608.3925B44  5951614047165 7 2    7164 8 2      C-13-H3C(O)CH3
  383248.8954  0.0284 -6.3672 3  410.8418308  595161404382712 4    382415 4      C-13-H3C(O)CH3
  383256.6665  0.0204 -6.0517 3  410.8636616  595161404382712 1    382415 1      C-13-H3C(O)CH3
  383289.0063  0.0180 -6.3533 3  250.0344472  5951614042924 6 0    2921 9 0      C-13-H3C(O)CH3
  383294.0935  0.0062 -3.9612 3  119.2244172  5951614042115 6 3    2014 7 3      C-13-H3C(O)CH3
  383313.1345  0.0069 -5.7082 3   74.2666280  5951614041712 5 1    16 9 7 1      C-13-H3C(O)CH3
  383322.5533  0.0282 -6.0020 3  569.5789696  5951614044337 7 2    4238 5 2      C-13-H3C(O)CH3
  383345.4975  0.1057 -5.9109 3  775.5606856  595161404533221 1    532924 1      C-13-H3C(O)CH3
  383372.2689  0.0467 -6.2402 3 1227.3249B44  595161404712646 0    712447 0      C-13-H3C(O)CH3
  383372.2689  0.0467 -5.5323 3 1227.3249B44  595161404712646 0    712547 0      C-13-H3C(O)CH3
  383372.2689  0.0467 -5.5323 3 1227.3249B44  595161404712546 0    712447 0      C-13-H3C(O)CH3
  383372.2689  0.0467 -6.2402 3 1227.3249B44  595161404712546 0    712547 0      C-13-H3C(O)CH3
  383387.7911  0.0491 -6.6980 3 1227.3430B44  595161404712646 1    712447 1      C-13-H3C(O)CH3
  383387.7911  0.0491 -5.4801 3 1227.3430B44  595161404712646 1    712547 1      C-13-H3C(O)CH3
  383387.7911  0.0491 -5.4801 3 1227.3430B44  595161404712546 1    712447 1      C-13-H3C(O)CH3
  383387.7911  0.0491 -6.6980 3 1227.3430B44  595161404712546 1    712547 1      C-13-H3C(O)CH3
  383391.8331  0.0366 -6.2223 3  365.3798584  595161404362512 2    3526 9 2      C-13-H3C(O)CH3
  383392.9352  0.0546 -5.4553 3 1227.3442B44  595161404712646 2    712447 2      C-13-H3C(O)CH3
  383392.9352  0.0546 -5.4553 3 1227.3442B44  595161404712546 2    712547 2      C-13-H3C(O)CH3
  383394.5496  0.0022 -6.1406 3  127.9675180  5951614042214 8 4    2113 8 4      C-13-H3C(O)CH3
  383408.5194  0.0490 -5.8686 3 1227.3623572  595161404712546 3    712447 3      C-13-H3C(O)CH3
  383408.5194  0.0490 -6.3956 3 1227.3623572  595161404712546 3    712547 3      C-13-H3C(O)CH3
  383408.5194  0.0490 -6.3956 3 1227.3623572  595161404712646 3    712447 3      C-13-H3C(O)CH3
  383408.5194  0.0490 -5.8686 3 1227.3623572  595161404712646 3    712547 3      C-13-H3C(O)CH3
  383408.5948  0.0491 -5.9244 3 1227.3623572  595161404712646 4    712447 4      C-13-H3C(O)CH3
  383408.5948  0.0491 -6.2478 3 1227.3623572  595161404712646 4    712547 4      C-13-H3C(O)CH3
  383408.5948  0.0491 -6.2478 3 1227.3623572  595161404712546 4    712447 4      C-13-H3C(O)CH3
  383408.5948  0.0491 -5.9244 3 1227.3623572  595161404712546 4    712547 4      C-13-H3C(O)CH3
  383422.3209  0.0118 -4.7145 3  698.6753920  595161404571345 0    571146 0      C-13-H3C(O)CH3
  383422.3209  0.0118 -4.7145 3  698.6753920  595161404571245 0    571246 0      C-13-H3C(O)CH3
  383422.4564  0.0118 -5.5268 3  698.6753920 -595161404571345 0    571246 0      C-13-H3C(O)CH3
  383422.4564  0.0118 -5.5268 3  698.6753920 -595161404571245 0    571146 0      C-13-H3C(O)CH3
  383426.6905  0.0249 -6.0344 3  523.9177356  595161404442420 3    432717 3      C-13-H3C(O)CH3
  383450.3489  0.0073 -5.8177 3   74.2597280  5951614041712 5 2    16 9 7 2      C-13-H3C(O)CH3
  383456.7297  0.0023 -3.9492 3  240.5166284  59516140435 630 4    34 629 4      C-13-H3C(O)CH3
  383456.7297  0.0023 -3.9492 3  240.5166284  59516140435 530 4    34 529 4      C-13-H3C(O)CH3
  383456.7506  0.0023 -3.7301 3  240.5165284  59516140435 530 3    34 629 3      C-13-H3C(O)CH3
  383456.7506  0.0023 -3.7301 3  240.5165284  59516140435 630 3    34 529 3      C-13-H3C(O)CH3
  383456.7535  0.0023 -4.0193 3  240.5166284 -59516140435 530 4    34 629 4      C-13-H3C(O)CH3
  383456.7535  0.0023 -4.0193 3  240.5166284 -59516140435 630 4    34 529 4      C-13-H3C(O)CH3
  383456.7535  0.0023 -4.6595 3  240.5165284 -59516140435 630 3    34 629 3      C-13-H3C(O)CH3
  383456.7535  0.0023 -4.6595 3  240.5165284 -59516140435 530 3    34 529 3      C-13-H3C(O)CH3
  383467.5055  0.0092 -5.7043 3   74.3006140  5951614041712 5 4    16 9 7 4      C-13-H3C(O)CH3
  383472.0859  0.0376 -6.3035 3  569.5466348  5951614044337 7 4    4238 5 4      C-13-H3C(O)CH3
  383475.1999  0.0129 -5.2046 3  367.9916600  595161404372117 1    362214 1      C-13-H3C(O)CH3
  383475.9032  0.0440 -6.6813 3  365.3498292  595161404362512 4    3526 9 4      C-13-H3C(O)CH3
  383485.3593  0.0156 -5.4111 3  698.6469920  595161404571345 2    571146 2      C-13-H3C(O)CH3
  383485.3593  0.0156 -5.4111 3  698.6469920  595161404571245 2    571246 2      C-13-H3C(O)CH3
  383485.3593  0.0156 -4.7351 3  698.6469920  595161404571345 2    571246 2      C-13-H3C(O)CH3
  383485.3593  0.0156 -4.7351 3  698.6469920  595161404571245 2    571146 2      C-13-H3C(O)CH3
  383485.5083  0.0160 -4.7758 3  698.6472920  595161404571345 1    571146 1      C-13-H3C(O)CH3
  383485.5083  0.0160 -4.7758 3  698.6472920  595161404571245 1    571246 1      C-13-H3C(O)CH3
  383485.5083  0.0160 -5.2575 3  698.6472920  595161404571245 1    571146 1      C-13-H3C(O)CH3
  383485.5083  0.0160 -5.2575 3  698.6472920  595161404571345 1    571246 1      C-13-H3C(O)CH3
  383488.0985  0.0235 -6.0351 3  523.9157356  595161404442420 4    432717 4      C-13-H3C(O)CH3
  383502.5103  0.0027 -3.3811 3  240.5105568 -59516140435 530 1    34 529 1      C-13-H3C(O)CH3
  383502.5103  0.0027 -6.3962 3  240.5105568 -59516140435 630 1    34 529 1      C-13-H3C(O)CH3
  383502.5416  0.0027 -6.3962 3  240.5105568  59516140435 530 1    34 629 1      C-13-H3C(O)CH3
  383502.5416  0.0027 -3.3811 3  240.5105568  59516140435 630 1    34 629 1      C-13-H3C(O)CH3
  383502.9893  0.0027 -3.4835 3  240.5099568  59516140435 630 2    34 529 2      C-13-H3C(O)CH3
  383502.9893  0.0027 -4.0571 3  240.5099568  59516140435 530 2    34 529 2      C-13-H3C(O)CH3
  383503.0311  0.0027 -3.6180 3  240.5099568 -59516140435 630 2    34 629 2      C-13-H3C(O)CH3
  383503.0311  0.0027 -3.7565 3  240.5099568 -59516140435 530 2    34 629 2      C-13-H3C(O)CH3
  383503.5085  0.0182 -5.8103 3  410.8833616  595161404382712 0    382415 0      C-13-H3C(O)CH3
  383512.8560  0.0249 -6.0640 3  410.8620616  595161404382712 2    382415 2      C-13-H3C(O)CH3
  383515.9891  0.0203 -5.8702 3  473.8656664  595161404412814 1    412517 1      C-13-H3C(O)CH3
  383539.7676  0.0025 -6.3068 3  127.9559360  5951614042214 8 1    2113 8 1      C-13-H3C(O)CH3
  383539.8045  0.0310 -6.2552 3  473.8433332  595161404412814 4    412517 4      C-13-H3C(O)CH3
  383548.6056  0.0175 -5.2095 3  698.6188460  595161404571245 4    571146 4      C-13-H3C(O)CH3
  383548.6056  0.0175 -5.2095 3  698.6188460  595161404571345 4    571246 4      C-13-H3C(O)CH3
  383548.6056  0.0175 -5.3031 3  698.6188460  595161404571245 4    571246 4      C-13-H3C(O)CH3
  383548.6056  0.0175 -5.3031 3  698.6188460  595161404571345 4    571146 4      C-13-H3C(O)CH3
  383548.6293  0.0176 -6.1327 3  698.6188460  595161404571345 3    571146 3      C-13-H3C(O)CH3
  383548.6293  0.0176 -4.9531 3  698.6188460  595161404571245 3    571146 3      C-13-H3C(O)CH3
  383548.6293  0.0176 -4.9825 3  698.6188460  595161404571345 3    571246 3      C-13-H3C(O)CH3
  383548.6456  0.0023 -3.8986 3  240.5039568 -59516140435 530 0    34 629 0      C-13-H3C(O)CH3
  383548.6456  0.0023 -3.8986 3  240.5039568 -59516140435 630 0    34 529 0      C-13-H3C(O)CH3
  383548.6817  0.0023 -3.5377 3  240.5039568  59516140435 630 0    34 629 0      C-13-H3C(O)CH3
  383548.6817  0.0023 -3.5377 3  240.5039568  59516140435 530 0    34 529 0      C-13-H3C(O)CH3
  383567.5951  0.0190 -5.7403 3  473.8838664  595161404412814 0    412517 0      C-13-H3C(O)CH3
  383584.8987  0.0025 -6.5823 3  127.9458360  5951614042214 8 2    2113 8 2      C-13-H3C(O)CH3
  383596.5308  0.0025 -3.6255 3  119.2163344 -5951614042115 6 0    2014 7 0      C-13-H3C(O)CH3
  383597.7038  0.0173 -5.5020 3  367.9593300  595161404372117 3    362214 3      C-13-H3C(O)CH3
  383607.2774  0.0163 -5.5019 3  367.9589300  595161404372117 4    362214 4      C-13-H3C(O)CH3
  383632.8190  0.0274 -5.7319 3  523.9300712  595161404442420 2    432717 2      C-13-H3C(O)CH3
  383642.7277  0.0306 -6.3410 3  410.8425308  595161404382712 3    382415 3      C-13-H3C(O)CH3
  383646.8393  0.0113 -5.2027 3  368.0085600  595161404372117 0    362214 0      C-13-H3C(O)CH3
  383676.0264  0.0232 -6.1791 3  410.8636616  595161404382711 1    382415 1      C-13-H3C(O)CH3
  383690.0849  0.0121 -4.9237 3  365.3913584  595161404362512 0    3526 9 0      C-13-H3C(O)CH3
  383717.1030  0.0278 -5.9209 3  473.8618664  595161404412814 2    412517 2      C-13-H3C(O)CH3
  383723.5555  0.0400 -6.3097 3  365.3460292  595161404362512 3    3526 9 3      C-13-H3C(O)CH3
  383726.1789  0.0134 -4.9453 3  365.3686584  595161404362512 2    352610 2      C-13-H3C(O)CH3
  383770.7437  0.0207 -5.7321 3  523.9310712  595161404442420 1    432717 1      C-13-H3C(O)CH3
  383776.9441  0.0144 -5.1989 3  367.9759600  595161404372117 2    362214 2      C-13-H3C(O)CH3
  383797.8616  0.1069 -5.9137 3  775.5649856  595161404533221 0    532924 0      C-13-H3C(O)CH3
  383826.7360  0.0202 -5.4530 3  365.3614584  595161404362512 1    3526 9 1      C-13-H3C(O)CH3
  383831.9179  0.1166 -6.5846 3 1622.1107644  595161404803447 4    803248 4      C-13-H3C(O)CH3
  383831.9179  0.1166 -6.5846 3 1622.1107644  595161404803347 4    803348 4      C-13-H3C(O)CH3
  383831.9750  0.1166 -6.6059 3 1622.1107644  595161404803447 3    803248 3      C-13-H3C(O)CH3
  383831.9750  0.1166 -6.6059 3 1622.1107644  595161404803347 3    803348 3      C-13-H3C(O)CH3
  383869.9898  0.1384 -6.2834 3 1622.0954C88  595161404803447 1    803348 1      C-13-H3C(O)CH3
  383869.9898  0.1384 -6.7700 3 1622.0954C88  595161404803447 1    803248 1      C-13-H3C(O)CH3
  383869.9898  0.1384 -6.2834 3 1622.0954C88  595161404803347 1    803248 1      C-13-H3C(O)CH3
  383869.9898  0.1384 -6.7700 3 1622.0954C88  595161404803347 1    803348 1      C-13-H3C(O)CH3
  383870.2223  0.1287 -6.1662 3 1622.0986C88  595161404803447 2    803248 2      C-13-H3C(O)CH3
  383870.2223  0.1287 -6.1662 3 1622.0986C88  595161404803347 2    803348 2      C-13-H3C(O)CH3
  383905.0042  0.0049 -4.0902 3  116.8659172  5951614042114 7 3    2013 8 3      C-13-H3C(O)CH3
  383908.2087  0.1420 -6.5157 3 1622.0834C88  595161404803447 0    803248 0      C-13-H3C(O)CH3
  383908.2087  0.1420 -6.5157 3 1622.0834C88  595161404803347 0    803348 0      C-13-H3C(O)CH3
  383908.2087  0.1420 -6.4137 3 1622.0834C88  595161404803447 0    803348 0      C-13-H3C(O)CH3
  383908.2087  0.1420 -6.4137 3 1622.0834C88  595161404803347 0    803248 0      C-13-H3C(O)CH3
  383925.7215  0.0159 -5.2388 3  365.3348292  595161404362512 4    352610 4      C-13-H3C(O)CH3
  383928.0677  0.0106 -5.4973 3  664.3520904  595161404561245 0    561146 0      C-13-H3C(O)CH3
  383928.0677  0.0106 -5.4973 3  664.3520904  595161404561145 0    561046 0      C-13-H3C(O)CH3
  383928.0677  0.0106 -4.6762 3  664.3520904  595161404561245 0    561046 0      C-13-H3C(O)CH3
  383928.0677  0.0106 -4.6762 3  664.3520904  595161404561145 0    561146 0      C-13-H3C(O)CH3
  383935.5645  0.0068 -3.9727 3  193.1589440 -595161404271512 2    261611 2      C-13-H3C(O)CH3
  383940.3444  0.0134 -5.0752 3  365.3576584  595161404362512 1    352610 1      C-13-H3C(O)CH3
  383943.9389  0.0148 -5.2611 3  365.3387292  595161404362512 3    352610 3      C-13-H3C(O)CH3
  383947.0335  0.0226 -5.7304 3  523.9443712  595161404442420 0    432717 0      C-13-H3C(O)CH3
  383969.4095  0.0149 -4.6396 3  664.3218904  595161404561145 2    561046 2      C-13-H3C(O)CH3
  383969.4095  0.0149 -4.6396 3  664.3218904  595161404561245 2    561146 2      C-13-H3C(O)CH3
  383969.4095  0.0149 -5.8732 3  664.3218904  595161404561245 2    561046 2      C-13-H3C(O)CH3
  383969.4095  0.0149 -5.8732 3  664.3218904  595161404561145 2    561146 2      C-13-H3C(O)CH3
  383969.7054  0.0152 -4.6178 3  664.3222904  595161404561245 1    561046 1      C-13-H3C(O)CH3
  383969.7054  0.0152 -4.6178 3  664.3222904  595161404561145 1    561146 1      C-13-H3C(O)CH3
  383984.3233  0.0122 -4.9229 3  365.3911584  595161404362511 0    352610 0      C-13-H3C(O)CH3
  384004.4555  0.0343 -6.4997 3  410.8425308  595161404382711 3    382415 3      C-13-H3C(O)CH3
  384004.5745  0.0228 -5.7712 3  535.1085680  5951614044235 7 1    4136 5 1      C-13-H3C(O)CH3
  384011.0067  0.0162 -5.1372 3  664.2919452  595161404561145 4    561146 4      C-13-H3C(O)CH3
  384011.0067  0.0162 -5.3144 3  664.2919452  595161404561145 4    561046 4      C-13-H3C(O)CH3
  384011.0067  0.0162 -5.3144 3  664.2919452  595161404561245 4    561146 4      C-13-H3C(O)CH3
  384011.0067  0.0162 -5.1372 3  664.2919452  595161404561245 4    561046 4      C-13-H3C(O)CH3
  384011.1051  0.0162 -5.6886 3  664.2919452  595161404561145 3    561146 3      C-13-H3C(O)CH3
  384011.1051  0.0162 -5.6886 3  664.2919452  595161404561245 3    561046 3      C-13-H3C(O)CH3
  384011.1051  0.0162 -4.9960 3  664.2919452  595161404561245 3    561146 3      C-13-H3C(O)CH3
  384011.1051  0.0162 -4.9960 3  664.2919452  595161404561145 3    561046 3      C-13-H3C(O)CH3
  384018.9304  0.0059 -3.9729 3  193.1693440 -595161404271512 0    261611 0      C-13-H3C(O)CH3
  384023.1202  0.0042 -3.7930 3  116.8539344  5951614042114 7 2    2013 8 2      C-13-H3C(O)CH3
  384051.0875  0.0034 -3.7841 3  116.8450344 -5951614042114 7 0    2013 8 0      C-13-H3C(O)CH3
  384051.5965  0.0092 -4.2712 3  193.1526220  595161404271512 3    261611 3      C-13-H3C(O)CH3
  384054.7553  0.4380 -6.6094 3 1575.1854B28  5951614047065 6 1    7064 7 1      C-13-H3C(O)CH3
  384057.1469  0.0114 -3.9413 3  119.2140344  5951614042115 6 2    2014 7 2      C-13-H3C(O)CH3
  384072.2700  0.0129 -4.9450 3  365.3798584  595161404362511 2    3526 9 2      C-13-H3C(O)CH3
  384080.2395  0.0077 -4.2711 3  193.1521220  595161404271512 4    261611 4      C-13-H3C(O)CH3
  384081.4519  0.0232 -5.7702 3  535.0991680  5951614044235 7 0    4136 6 0      C-13-H3C(O)CH3
  384081.4519  0.0232 -5.7702 3  535.0991680  5951614044235 8 0    4136 5 0      C-13-H3C(O)CH3
  384085.7145  0.5746 -6.6093 3 1575.2057B28  5951614047065 5 0    7064 7 0      C-13-H3C(O)CH3
  384085.7145  0.5746 -6.6093 3 1575.2057B28  5951614047065 6 0    7064 6 0      C-13-H3C(O)CH3
  384132.2825  0.0043 -3.7999 3  116.8546344  5951614042114 7 1    2013 8 1      C-13-H3C(O)CH3
  384145.2673  0.0072 -3.9704 3  193.1628440  595161404271512 1    261611 1      C-13-H3C(O)CH3
  384153.6454  0.0138 -5.0753 3  365.3614584  595161404362511 1    3526 9 1      C-13-H3C(O)CH3
  384172.3473  0.4445 -6.6093 3 1575.2082B28  5951614047065 5 1    7064 6 1      C-13-H3C(O)CH3
  384177.0557  0.0340 -6.1304 3  473.8438332  595161404412814 3    412517 3      C-13-H3C(O)CH3
  384182.1273  0.0086 -5.8672 3  272.2952520  595161404321815 2    321518 2      C-13-H3C(O)CH3
  384203.6847  0.0436 -5.8445 3 1184.8801B28  595161404702546 0    702447 0      C-13-H3C(O)CH3
  384203.6847  0.0436 -5.5641 3 1184.8801B28  595161404702446 0    702447 0      C-13-H3C(O)CH3
  384203.6847  0.0436 -5.8445 3 1184.8801B28  595161404702446 0    702347 0      C-13-H3C(O)CH3
  384203.6847  0.0436 -5.5641 3 1184.8801B28  595161404702546 0    702347 0      C-13-H3C(O)CH3
  384209.9805  0.0095 -6.1689 3  272.2755260  595161404321815 4    321518 4      C-13-H3C(O)CH3
  384210.2506  0.0089 -6.1689 3  272.2756260  595161404321815 3    321518 3      C-13-H3C(O)CH3
  384230.0343  0.0472 -6.0205 3 1184.8967B28  595161404702446 1    702347 1      C-13-H3C(O)CH3
  384230.0343  0.0472 -6.0205 3 1184.8967B28  595161404702546 1    702447 1      C-13-H3C(O)CH3
  384230.0343  0.0472 -5.4941 3 1184.8967B28  595161404702546 1    702347 1      C-13-H3C(O)CH3
  384230.0343  0.0472 -5.4941 3 1184.8967B28  595161404702446 1    702447 1      C-13-H3C(O)CH3
  384231.1423  0.0078 -5.8662 3  272.3179520  595161404321815 0    321518 0      C-13-H3C(O)CH3
  384235.0738  0.0524 -6.1793 3 1184.8976B28  595161404702446 2    702347 2      C-13-H3C(O)CH3
  384235.0738  0.0524 -5.4562 3 1184.8976B28  595161404702446 2    702447 2      C-13-H3C(O)CH3
  384235.0738  0.0524 -6.1793 3 1184.8976B28  595161404702546 2    702447 2      C-13-H3C(O)CH3
  384235.0738  0.0524 -5.4562 3 1184.8976B28  595161404702546 2    702347 2      C-13-H3C(O)CH3
  384235.5383  0.0265 -6.0727 3  535.1073340  5951614044235 7 4    4136 5 4      C-13-H3C(O)CH3
  384245.9442  0.4127 -6.6092 3 1575.1885B28  5951614047065 6 2    7064 7 2      C-13-H3C(O)CH3
  384258.3030  0.4436 -6.6092 3 1575.1986B28  5951614047065 5 2    7064 6 2      C-13-H3C(O)CH3
  384259.0440  0.0085 -5.8671 3  272.2983520  595161404321815 1    321518 1      C-13-H3C(O)CH3
  384261.4950  0.0451 -5.6841 3 1184.9142564  595161404702546 3    702447 3      C-13-H3C(O)CH3
  384261.4950  0.0451 -5.6841 3 1184.9142564  595161404702446 3    702347 3      C-13-H3C(O)CH3
  384261.5908  0.0452 -5.7041 3 1184.9142564  595161404702546 4    702347 4      C-13-H3C(O)CH3
  384261.5908  0.0452 -5.7041 3 1184.9142564  595161404702446 4    702447 4      C-13-H3C(O)CH3
  384267.2538  0.0189 -5.4513 3  365.3576584  595161404362511 1    352610 1      C-13-H3C(O)CH3
  384272.3400  0.0263 -6.0650 3  641.2275792  595161404492624 0    482721 0      C-13-H3C(O)CH3
  384273.2966  0.0143 -5.2602 3  365.3460292  595161404362511 3    3526 9 3      C-13-H3C(O)CH3
  384289.0852  0.0322 -6.1678 3  410.8620616  595161404382711 2    382415 2      C-13-H3C(O)CH3
  384290.2539  0.0138 -5.2390 3  365.3498292  595161404362511 4    3526 9 4      C-13-H3C(O)CH3
  384291.0031  0.0118 -4.0390 3  119.2081344  5951614042115 6 1    2014 7 1      C-13-H3C(O)CH3
  384297.0080  0.0074 -4.1272 3  116.8612172  5951614042114 7 4    2013 8 4      C-13-H3C(O)CH3
  384299.6302  0.0264 -5.7703 3  535.0613680  5951614044235 8 1    4136 6 1      C-13-H3C(O)CH3
  384310.2974  0.0269 -6.3279 3  473.8656664  595161404412813 1    412517 1      C-13-H3C(O)CH3
  384311.3285  0.0229 -5.7707 3  535.0981680  5951614044235 7 2    4136 5 2      C-13-H3C(O)CH3
  384403.2967  0.0275 -6.0713 3  535.0811340  5951614044235 7 3    4136 5 3      C-13-H3C(O)CH3
  384406.6157  0.0339 -6.2192 3  365.3686584  595161404362511 2    352610 2      C-13-H3C(O)CH3
  384420.9704  0.0102 -5.8866 3  630.6128888  595161404551145 0    551046 0      C-13-H3C(O)CH3
  384420.9704  0.0102 -4.6049 3  630.6128888  595161404551145 0    55 946 0      C-13-H3C(O)CH3
  384420.9704  0.0102 -4.6049 3  630.6128888  595161404551045 0    551046 0      C-13-H3C(O)CH3
  384420.9879  0.0102 -5.8866 3  630.6128888 -595161404551045 0    55 946 0      C-13-H3C(O)CH3
  384431.6303  0.0253 -6.0638 3  641.2117792  595161404492624 1    482721 1      C-13-H3C(O)CH3
  384433.7004  0.0146 -4.9375 3  630.5820888  595161404551045 2    551046 2      C-13-H3C(O)CH3
  384433.7004  0.0146 -4.8357 3  630.5820888  595161404551045 2    55 946 2      C-13-H3C(O)CH3
  384433.7004  0.0146 -4.8357 3  630.5820888  595161404551145 2    551046 2      C-13-H3C(O)CH3
  384433.7004  0.0146 -4.9375 3  630.5820888  595161404551145 2    55 946 2      C-13-H3C(O)CH3
  384434.0616  0.0149 -4.9530 3  630.5823888  595161404551045 1    55 946 1      C-13-H3C(O)CH3
  384434.0616  0.0149 -4.8239 3  630.5823888  595161404551045 1    551046 1      C-13-H3C(O)CH3
  384434.0616  0.0149 -4.8239 3  630.5823888  595161404551145 1    55 946 1      C-13-H3C(O)CH3
  384434.0616  0.0149 -4.9530 3  630.5823888  595161404551145 1    551046 1      C-13-H3C(O)CH3
  384440.1813  0.0378 -6.4647 3  410.8418308  595161404382711 4    382415 4      C-13-H3C(O)CH3
  384446.6336  0.0149 -5.4623 3  630.5515444  595161404551045 4    551046 4      C-13-H3C(O)CH3
  384446.6336  0.0149 -5.0165 3  630.5515444  595161404551045 4    55 946 4      C-13-H3C(O)CH3
  384446.6336  0.0149 -5.0165 3  630.5515444  595161404551145 4    551046 4      C-13-H3C(O)CH3
  384446.6336  0.0149 -5.4623 3  630.5515444  595161404551145 4    55 946 4      C-13-H3C(O)CH3
  384446.8150  0.0149 -4.8836 3  630.5515444  595161404551145 3    55 946 3      C-13-H3C(O)CH3
  384446.8150  0.0149 -4.8860 3  630.5515444  595161404551045 3    551046 3      C-13-H3C(O)CH3
  384480.2174  0.0244 -5.7693 3  535.0717680  5951614044235 8 2    4136 6 2      C-13-H3C(O)CH3
  384485.6337  0.0213 -6.5206 3  298.8935260  5951614043225 7 3    322210 3      C-13-H3C(O)CH3
  384493.6800  0.0385 -6.3077 3  365.3387292  595161404362511 3    352610 3      C-13-H3C(O)CH3
  384495.8823  0.0124 -4.7631 3  318.8436552  595161404342213 2    332310 2      C-13-H3C(O)CH3
  384504.1956  0.0065 -6.7452 3  140.3284196  595161404241014 3    24 717 3      C-13-H3C(O)CH3
  384504.2630  0.0084 -6.7452 3  140.3284196  595161404241014 4    24 717 4      C-13-H3C(O)CH3
  384510.2717  0.0065 -6.7452 3  140.3284196  595161404241114 3    24 817 3      C-13-H3C(O)CH3
  384510.3003  0.0084 -6.7452 3  140.3284196  595161404241114 4    24 817 4      C-13-H3C(O)CH3
  384529.2067  0.0286 -6.0718 3  535.0603340  5951614044235 8 3    4136 6 3      C-13-H3C(O)CH3
  384541.5328  0.0023 -3.6572 3  244.6727292 -59516140436 532 3    35 431 3      C-13-H3C(O)CH3
  384541.5328  0.0023 -3.6573 3  244.6727292 -59516140436 432 4    35 531 4      C-13-H3C(O)CH3
  384541.5328  0.0023 -3.6572 3  244.6727292 -59516140436 432 3    35 531 3      C-13-H3C(O)CH3
  384541.5328  0.0023 -3.6573 3  244.6727292 -59516140436 532 4    35 431 4      C-13-H3C(O)CH3
  384541.5515  0.0023 -6.1010 3  244.6727292  59516140436 432 4    35 431 4      C-13-H3C(O)CH3
  384541.5515  0.0023 -6.1010 3  244.6727292  59516140436 532 4    35 531 4      C-13-H3C(O)CH3
  384541.5575  0.0023 -6.1350 3  244.6727292  59516140436 432 3    35 431 3      C-13-H3C(O)CH3
  384541.5575  0.0023 -6.1350 3  244.6727292  59516140436 532 3    35 531 3      C-13-H3C(O)CH3
  384553.5424  0.0450 -6.0620 3  641.2058792  595161404492624 2    482721 2      C-13-H3C(O)CH3
  384554.6888  0.0212 -6.6613 3  298.9128520  5951614043225 8 1    322210 1      C-13-H3C(O)CH3
  384583.5897  0.0178 -5.1354 3  318.8187276  595161404342213 3    332310 3      C-13-H3C(O)CH3
  384583.7376  0.0027 -3.3971 3  244.6597584  59516140436 432 1    35 431 1      C-13-H3C(O)CH3
  384583.7376  0.0027 -3.3971 3  244.6597584  59516140436 532 1    35 531 1      C-13-H3C(O)CH3
  384583.8857  0.0027 -4.3848 3  244.6597584 -59516140436 432 1    35 531 1      C-13-H3C(O)CH3
  384583.8857  0.0027 -3.6652 3  244.6591584 -59516140436 432 2    35 431 2      C-13-H3C(O)CH3
  384583.8857  0.0027 -3.6652 3  244.6591584 -59516140436 532 2    35 531 2      C-13-H3C(O)CH3
  384583.8857  0.0027 -4.3848 3  244.6597584 -59516140436 532 1    35 431 1      C-13-H3C(O)CH3
  384584.0216  0.0027 -3.6463 3  244.6591584  59516140436 532 2    35 431 2      C-13-H3C(O)CH3
  384584.0216  0.0027 -3.6463 3  244.6591584  59516140436 432 2    35 531 2      C-13-H3C(O)CH3
  384593.0357  0.0079 -4.7285 3  318.8619552  595161404342213 0    332310 0      C-13-H3C(O)CH3
  384626.0669  0.0023 -3.3882 3  244.6461584 -59516140436 432 0    35 531 0      C-13-H3C(O)CH3
  384626.0669  0.0023 -3.3882 3  244.6461584 -59516140436 532 0    35 431 0      C-13-H3C(O)CH3
  384626.1074  0.0023 -4.4819 3  244.6461584  59516140436 432 0    35 431 0      C-13-H3C(O)CH3
  384626.1074  0.0023 -4.4819 3  244.6461584  59516140436 532 0    35 531 0      C-13-H3C(O)CH3
  384657.6125  0.0239 -6.5678 3  298.8921260  5951614043225 7 4    322210 4      C-13-H3C(O)CH3
  384696.0181  0.0313 -6.0704 3  535.0339340  5951614044235 8 4    4136 6 4      C-13-H3C(O)CH3
  384700.2507  0.0103 -5.0311 3  318.8149276  595161404342213 4    332310 4      C-13-H3C(O)CH3
  384712.1829  0.0459 -6.3618 3  641.1899396  595161404492624 4    482721 4      C-13-H3C(O)CH3
  384716.4804  0.0454 -6.3618 3  641.1898396  595161404492624 3    482721 3      C-13-H3C(O)CH3
  384726.0019  0.0093 -4.7725 3  318.8357552  595161404342213 1    332310 1      C-13-H3C(O)CH3
  384740.0722  0.0398 -6.6770 3  365.3348292  595161404362511 4    352610 4      C-13-H3C(O)CH3
  384755.5280  0.0178 -6.2425 3  298.9128520  5951614043225 7 1    322210 1      C-13-H3C(O)CH3
  384760.2621  0.0032 -4.1008 3  190.2899220  595161404271413 3    261512 3      C-13-H3C(O)CH3
  384766.6199  0.0027 -4.1007 3  190.2898220  595161404271413 4    261512 4      C-13-H3C(O)CH3
  384783.3281  0.0063 -6.4419 3  140.3146392  595161404241014 2    24 717 2      C-13-H3C(O)CH3
  384789.6054  0.0063 -6.4419 3  140.3146392  595161404241114 2    24 817 2      C-13-H3C(O)CH3
  384791.7739  0.0151 -5.1393 3  415.8183616  595161404382811 0    3729 8 0      C-13-H3C(O)CH3
  384796.5069  0.0151 -5.1393 3  415.8183616  595161404382810 0    3729 9 0      C-13-H3C(O)CH3
  384813.2848  0.0028 -3.8006 3  190.2946440 -595161404271413 2    261512 2      C-13-H3C(O)CH3
  384822.0604  0.0063 -6.4418 3  140.3159392  595161404241014 1    24 717 1      C-13-H3C(O)CH3
  384828.0917  0.0063 -6.4417 3  140.3159392  595161404241114 1    24 817 1      C-13-H3C(O)CH3
  384851.7346  0.0028 -3.7998 3  190.2996440 -595161404271413 1    261512 1      C-13-H3C(O)CH3
  384855.8054  0.0137 -6.3162 3  597.3986436  595161404541045 4    54 946 4      C-13-H3C(O)CH3
  384855.8054  0.0137 -6.3162 3  597.3986436  59516140454 945 4    54 846 4      C-13-H3C(O)CH3
  384855.8054  0.0137 -4.8722 3  597.3986436  595161404541045 4    54 846 4      C-13-H3C(O)CH3
  384855.8054  0.0137 -4.8722 3  597.3986436  59516140454 945 4    54 946 4      C-13-H3C(O)CH3
  384856.0726  0.0137 -4.9517 3  597.3986436  595161404541045 3    54 946 3      C-13-H3C(O)CH3
  384856.0726  0.0137 -5.5644 3  597.3986436  59516140454 945 3    54 946 3      C-13-H3C(O)CH3
  384856.0726  0.0137 -4.9517 3  597.3986436  59516140454 945 3    54 846 3      C-13-H3C(O)CH3
  384856.0726  0.0137 -5.5644 3  597.3986436  595161404541045 3    54 846 3      C-13-H3C(O)CH3
  384870.5420  0.0153 -5.1385 3  415.7963616  595161404382811 2    3729 9 2      C-13-H3C(O)CH3
  384879.3381  0.0146 -6.2960 3  597.4282872  595161404541045 2    54 846 2      C-13-H3C(O)CH3
  384879.3381  0.0146 -4.5638 3  597.4282872  59516140454 945 2    54 846 2      C-13-H3C(O)CH3
  384879.3381  0.0146 -4.5638 3  597.4282872  595161404541045 2    54 946 2      C-13-H3C(O)CH3
  384879.3381  0.0146 -6.2960 3  597.4282872  59516140454 945 2    54 946 2      C-13-H3C(O)CH3
  384879.6926  0.0148 -4.5637 3  597.4285872  595161404541045 1    54 846 1      C-13-H3C(O)CH3
  384879.6926  0.0148 -6.3031 3  597.4285872  59516140454 945 1    54 846 1      C-13-H3C(O)CH3
  384879.6926  0.0148 -4.5637 3  597.4285872  59516140454 945 1    54 946 1      C-13-H3C(O)CH3
  384879.6926  0.0148 -6.3031 3  597.4285872  595161404541045 1    54 946 1      C-13-H3C(O)CH3
  384902.4632  0.0025 -3.8007 3  190.3044440 -595161404271413 0    261512 0      C-13-H3C(O)CH3
  384902.9346  0.0103 -4.5652 3  597.4581872  595161404541045 0    54 946 0      C-13-H3C(O)CH3
  384902.9346  0.0103 -6.2262 3  597.4581872  595161404541045 0    54 846 0      C-13-H3C(O)CH3
  384902.9346  0.0103 -6.2262 3  597.4581872  59516140454 945 0    54 946 0      C-13-H3C(O)CH3
  384902.9346  0.0103 -4.5652 3  597.4581872  59516140454 945 0    54 846 0      C-13-H3C(O)CH3
  384910.8533  0.0218 -6.3606 3  298.9173520  5951614043225 8 2    322210 2      C-13-H3C(O)CH3
  384922.1191  0.0099 -5.8399 3  318.8294552  595161404342213 2    332311 2      C-13-H3C(O)CH3
  384937.8678  0.0411 -6.2134 3  473.8618664  595161404412813 2    412517 2      C-13-H3C(O)CH3
  384970.6836  0.0160 -5.1395 3  415.7965616  595161404382810 1    3729 8 1      C-13-H3C(O)CH3
  384995.5167  0.4610 -6.6166 3 1542.4698B12  5951614046965 5 1    6964 6 1      C-13-H3C(O)CH3
  384997.0752  0.0256 -6.6026 3  121.9057172  5951614042116 6 4    2015 5 4      C-13-H3C(O)CH3
  384998.9209  0.0411 -5.3126 3 1143.0081B12  595161404692446 0    692247 0      C-13-H3C(O)CH3
  384998.9209  0.0411 -5.3126 3 1143.0081B12  595161404692346 0    692347 0      C-13-H3C(O)CH3
  384999.0636  0.1042 -6.6670 3 1574.5357636  595161404793347 4    793148 4      C-13-H3C(O)CH3
  384999.0636  0.1042 -6.6813 3 1574.5357636  595161404793347 4    793248 4      C-13-H3C(O)CH3
  384999.0636  0.1042 -6.6813 3 1574.5357636  595161404793247 4    793148 4      C-13-H3C(O)CH3
  384999.0636  0.1042 -6.6670 3 1574.5357636  595161404793247 4    793248 4      C-13-H3C(O)CH3
  384999.1107  0.1042 -6.4013 3 1574.5357636  595161404793347 3    793248 3      C-13-H3C(O)CH3
  384999.1107  0.1042 -6.4013 3 1574.5357636  595161404793247 3    793148 3      C-13-H3C(O)CH3
  385030.5102  0.0153 -5.1388 3  415.7790616  595161404382811 1    3729 9 1      C-13-H3C(O)CH3
  385033.9584  0.1197 -6.0731 3 1574.5184C72  595161404793347 1    793148 1      C-13-H3C(O)CH3
  385033.9584  0.1197 -6.0731 3 1574.5184C72  595161404793247 1    793248 1      C-13-H3C(O)CH3
  385035.2956  0.1131 -6.2657 3 1574.5215C72  595161404793347 2    793148 2      C-13-H3C(O)CH3
  385035.2956  0.1131 -6.2657 3 1574.5215C72  595161404793247 2    793248 2      C-13-H3C(O)CH3
  385035.2956  0.1131 -6.5156 3 1574.5215C72  595161404793247 2    793148 2      C-13-H3C(O)CH3
  385035.2956  0.1131 -6.5156 3 1574.5215C72  595161404793347 2    793248 2      C-13-H3C(O)CH3
  385036.5124  0.0458 -6.5428 3 1143.0225B12  595161404692446 1    692347 1      C-13-H3C(O)CH3
  385036.5124  0.0458 -6.5428 3 1143.0225B12  595161404692346 1    692247 1      C-13-H3C(O)CH3
  385036.5124  0.0458 -5.3354 3 1143.0225B12  595161404692346 1    692347 1      C-13-H3C(O)CH3
  385036.5124  0.0458 -5.3354 3 1143.0225B12  595161404692446 1    692247 1      C-13-H3C(O)CH3
  385041.3202  0.0503 -5.3141 3 1143.0233B12  595161404692446 2    692247 2      C-13-H3C(O)CH3
  385041.3202  0.0503 -5.3352 3 1143.0233B12  595161404692346 2    692347 2      C-13-H3C(O)CH3
  385041.3202  0.0503 -6.5459 3 1143.0233B12  595161404692346 2    692247 2      C-13-H3C(O)CH3
  385044.3284  0.0223 -6.4545 3  298.9173520  5951614043225 7 2    322210 2      C-13-H3C(O)CH3
  385044.5327  0.0170 -5.4397 3  415.7743308  595161404382811 3    3729 8 3      C-13-H3C(O)CH3
  385053.2547  0.0124 -6.6515 3  233.5572236  5951614042920 9 3    291514 3      C-13-H3C(O)CH3
  385070.1263  0.1235 -6.0722 3 1574.5043C72  595161404793347 0    793248 0      C-13-H3C(O)CH3
  385070.1263  0.1235 -6.0722 3 1574.5043C72  595161404793247 0    793148 0      C-13-H3C(O)CH3
  385070.1450  0.6005 -6.6165 3 1542.4887B12  5951614046965 5 0    6964 5 0      C-13-H3C(O)CH3
  385070.1450  0.6005 -6.6165 3 1542.4887B12  5951614046965 4 0    6964 6 0      C-13-H3C(O)CH3
  385078.9926  0.0417 -5.6147 3 1143.0377556  595161404692446 3    692247 3      C-13-H3C(O)CH3
  385078.9926  0.0417 -5.6147 3 1143.0377556  595161404692346 3    692347 3      C-13-H3C(O)CH3
  385079.1085  0.0418 -5.6145 3 1143.0377556  595161404692446 4    692247 4      C-13-H3C(O)CH3
  385079.1085  0.0418 -5.6145 3 1143.0377556  595161404692346 4    692347 4      C-13-H3C(O)CH3
  385094.0172  0.0158 -5.1387 3  415.8109616  595161404382810 2    3729 8 2      C-13-H3C(O)CH3
  385100.5908  0.0060 -6.4390 3  140.3022392  595161404241014 0    24 717 0      C-13-H3C(O)CH3
  385106.6511  0.0171 -5.4390 3  415.7566308  595161404382811 4    3729 9 4      C-13-H3C(O)CH3
  385106.8346  0.0060 -6.4390 3  140.3022392  595161404241114 0    24 817 0      C-13-H3C(O)CH3
  385110.2372  0.2113 -6.2871 3  866.7613452  595161404563422 3    563125 3      C-13-H3C(O)CH3
  385139.6866  0.2052 -6.2873 3  866.7614452  595161404563422 4    563125 4      C-13-H3C(O)CH3
  385149.3631  0.4664 -6.6165 3 1542.4981B12  5951614046965 4 1    6964 5 1      C-13-H3C(O)CH3
  385158.0711  0.0114 -6.3784 3  233.5757472  5951614042920 9 1    291514 1      C-13-H3C(O)CH3
  385161.7837  0.0172 -6.1034 3  298.9371520  5951614043225 7 0    322210 0      C-13-H3C(O)CH3
  385173.4767  0.0069 -4.2458 3   91.3751312  5951614041911 8 2    1810 9 2      C-13-H3C(O)CH3
  385187.5243  0.0260 -6.4772 3  352.4864284  595161404352610 4    352313 4      C-13-H3C(O)CH3
  385189.6021  0.0104 -5.7423 3  318.8202552  595161404342213 1    332311 1      C-13-H3C(O)CH3
  385190.8215  0.0156 -5.6918 3  318.7984276  595161404342213 3    332311 3      C-13-H3C(O)CH3
  385201.6442  0.0137 -6.6486 3  205.9788440  5951614042720 7 0    271512 0      C-13-H3C(O)CH3
  385217.5728  0.4327 -6.6164 3 1542.4779B12  5951614046965 5 2    6964 6 2      C-13-H3C(O)CH3
  385234.8616  0.0234 -6.5611 3  298.8619260  5951614043225 8 4    322211 4      C-13-H3C(O)CH3
  385238.8088  0.0129 -4.8409 3  564.8343428  59516140453 945 4    53 746 4      C-13-H3C(O)CH3
  385238.8088  0.0129 -5.8582 3  564.8343428  59516140453 945 4    53 846 4      C-13-H3C(O)CH3
  385238.8088  0.0129 -4.8802 3  564.8343428  59516140453 845 4    53 846 4      C-13-H3C(O)CH3
  385239.1565  0.0128 -4.8869 3  564.8343428  59516140453 845 3    53 846 3      C-13-H3C(O)CH3
  385239.1565  0.0128 -4.8869 3  564.8343428  59516140453 945 3    53 746 3      C-13-H3C(O)CH3
  385239.1565  0.0128 -5.7988 3  564.8343428  59516140453 945 3    53 846 3      C-13-H3C(O)CH3
  385239.1565  0.0128 -5.7988 3  564.8343428  59516140453 845 3    53 746 3      C-13-H3C(O)CH3
  385253.6749  0.0069 -4.2448 3   91.3523312  5951614041911 8 0    1810 9 0      C-13-H3C(O)CH3
  385253.7620  0.0194 -6.2078 3  352.5070568  595161404352610 1    352313 1      C-13-H3C(O)CH3
  385267.3232  0.0183 -5.4399 3  415.7890308  595161404382810 4    3729 8 4      C-13-H3C(O)CH3
  385270.6108  0.0136 -6.7144 3  233.5573236  5951614042920 9 4    291514 4      C-13-H3C(O)CH3
  385275.8694  0.0068 -4.5484 3   91.4008156  5951614041911 8 3    1810 9 3      C-13-H3C(O)CH3
  385287.6985  0.4672 -6.6163 3 1542.4896B12  5951614046965 4 2    6964 5 2      C-13-H3C(O)CH3
  385301.2547  0.0256 -6.4678 3  352.4864284  595161404352610 3    352313 3      C-13-H3C(O)CH3
  385307.3964  0.0143 -4.5642 3  564.8612856  59516140453 945 2    53 846 2      C-13-H3C(O)CH3
  385307.3964  0.0143 -5.7313 3  564.8612856  59516140453 945 2    53 746 2      C-13-H3C(O)CH3
  385307.3964  0.0143 -4.5642 3  564.8612856  59516140453 845 2    53 746 2      C-13-H3C(O)CH3
  385307.3964  0.0143 -5.7313 3  564.8612856  59516140453 845 2    53 846 2      C-13-H3C(O)CH3
  385307.6889  0.0145 -4.7899 3  564.8616856  59516140453 945 1    53 846 1      C-13-H3C(O)CH3
  385307.6889  0.0145 -4.7899 3  564.8616856  59516140453 845 1    53 746 1      C-13-H3C(O)CH3
  385307.6889  0.0145 -4.8890 3  564.8616856  59516140453 945 1    53 746 1      C-13-H3C(O)CH3
  385307.6889  0.0145 -4.8890 3  564.8616856  59516140453 845 1    53 846 1      C-13-H3C(O)CH3
  385313.7009  0.0101 -4.5487 3   91.4006156  5951614041911 8 4    1810 9 4      C-13-H3C(O)CH3
  385327.8174  0.0162 -5.4393 3  415.7714308  595161404382810 3    3729 9 3      C-13-H3C(O)CH3
  385341.5653  0.0107 -6.3273 3  233.5879472  5951614042920 9 0    291514 0      C-13-H3C(O)CH3
  385360.0839  0.0201 -4.6851 3  119.1949172  5951614042115 6 4    2014 7 4      C-13-H3C(O)CH3
  385364.7366  0.0108 -6.3421 3  233.5695472  5951614042920 9 2    291514 2      C-13-H3C(O)CH3
  385367.3704  0.0198 -6.2500 3  352.5070568  5951614043526 9 1    352313 1      C-13-H3C(O)CH3
  385372.4621  0.0069 -4.2466 3   91.3779312  5951614041911 8 1    1810 9 1      C-13-H3C(O)CH3
  385375.8423  0.0106 -4.5363 3  564.8884856  59516140453 945 0    53 746 0      C-13-H3C(O)CH3
  385375.8423  0.0106 -4.5557 3  564.8884856  59516140453 845 0    53 846 0      C-13-H3C(O)CH3
  385375.8423  0.0106 -5.8780 3  564.8884856  59516140453 845 0    53 746 0      C-13-H3C(O)CH3
  385402.6255  0.0208 -6.5205 3  298.8607260  5951614043225 8 3    322211 3      C-13-H3C(O)CH3
  385436.2968  0.0484 -6.4555 3  473.8433332  595161404412813 4    412517 4      C-13-H3C(O)CH3
  385468.2041  0.1738 -6.7369 3  660.4574396  595161404492920 3    483217 3      C-13-H3C(O)CH3
  385495.9580  0.0174 -6.2392 3  298.8814520  5951614043225 8 1    322211 1      C-13-H3C(O)CH3
  385511.1186  0.5852 -6.7726 3 1758.8322C08  5951614047566 9 0    756510 0      C-13-H3C(O)CH3
  385511.1186  0.5852 -6.7726 3 1758.8322C08  595161404756610 0    756511 0      C-13-H3C(O)CH3
  385521.6381  0.0296 -6.6037 3  352.4864284  5951614043526 9 3    352313 3      C-13-H3C(O)CH3
  385523.6593  0.0221 -6.1727 3  352.5089568  595161404352610 2    352313 2      C-13-H3C(O)CH3
  385536.1697  0.4338 -6.7726 3 1758.8022C08  5951614047566 9 2    756510 2      C-13-H3C(O)CH3
  385553.5493  0.0280 -5.7549 3  436.2426648  595161404402317 2    402020 2      C-13-H3C(O)CH3
  385558.5133  0.2084 -5.9891 3  866.7622904  595161404563422 2    563125 2      C-13-H3C(O)CH3
  385585.3754  0.0173 -5.9284 3  352.5294568  595161404352610 0    352313 0      C-13-H3C(O)CH3
  385587.3952  0.4560 -6.7725 3 1758.8072C08  5951614047566 9 1    756510 1      C-13-H3C(O)CH3
  385595.9078  0.0127 -5.5125 3  532.8597420  59516140452 745 4    52 746 4      C-13-H3C(O)CH3
  385595.9078  0.0127 -5.5125 3  532.8597420  59516140452 845 4    52 646 4      C-13-H3C(O)CH3
  385595.9078  0.0127 -4.9244 3  532.8597420  59516140452 845 4    52 746 4      C-13-H3C(O)CH3
  385595.9078  0.0127 -4.9244 3  532.8597420  59516140452 745 4    52 646 4      C-13-H3C(O)CH3
  385596.3184  0.0124 -4.8281 3  532.8597420  59516140452 745 3    52 646 3      C-13-H3C(O)CH3
  385596.3184  0.0124 -4.8281 3  532.8597420  59516140452 845 3    52 746 3      C-13-H3C(O)CH3
  385597.9154  0.0308 -6.0555 3  436.2188324  595161404402317 3    402020 3      C-13-H3C(O)CH3
  385606.0498  0.0301 -6.0555 3  436.2188324  595161404402317 4    402020 4      C-13-H3C(O)CH3
  385611.9670  0.4344 -6.7725 3 1758.8032C08  595161404756610 1    756511 1      C-13-H3C(O)CH3
  385629.2567  0.1486 -5.9893 3  866.7623904  595161404563422 1    563125 1      C-13-H3C(O)CH3
  385636.3053  0.0023 -5.0535 3  248.2875300  59516140437 334 3    36 433 3      C-13-H3C(O)CH3
  385636.3053  0.0023 -5.0535 3  248.2875300  59516140437 434 3    36 333 3      C-13-H3C(O)CH3
  385636.3132  0.0023 -4.2701 3  248.2876300  59516140437 434 4    36 433 4      C-13-H3C(O)CH3
  385636.3132  0.0023 -4.2701 3  248.2876300  59516140437 334 4    36 333 4      C-13-H3C(O)CH3
  385636.3410  0.0023 -3.7438 3  248.2876300 -59516140437 334 4    36 433 4      C-13-H3C(O)CH3
  385636.3410  0.0023 -3.7438 3  248.2876300 -59516140437 434 4    36 333 4      C-13-H3C(O)CH3
  385636.3410  0.0023 -3.6474 3  248.2875300 -59516140437 334 3    36 333 3      C-13-H3C(O)CH3
  385636.3410  0.0023 -3.6474 3  248.2875300 -59516140437 434 3    36 433 3      C-13-H3C(O)CH3
  385637.3426  0.0318 -6.5916 3  352.4864284  5951614043526 9 4    352313 4      C-13-H3C(O)CH3
  385655.9178  0.0047 -5.1455 3   52.1819132  59516140416 511 3    15 412 3      C-13-H3C(O)CH3
  385656.2266  0.0062 -5.1455 3   52.1819132  59516140416 511 4    15 412 4      C-13-H3C(O)CH3
  385656.7022  0.0047 -5.1455 3   52.1819132  59516140416 611 3    15 312 3      C-13-H3C(O)CH3
  385657.0013  0.0062 -5.1455 3   52.1819132  59516140416 611 4    15 312 4      C-13-H3C(O)CH3
  385661.8048  0.4097 -6.7724 3 1758.7962C08  595161404756610 2    756511 2      C-13-H3C(O)CH3
  385673.3903  0.0027 -3.4552 3  248.2654600  59516140437 334 1    36 433 1      C-13-H3C(O)CH3
  385673.3903  0.0027 -3.4552 3  248.2654600  59516140437 434 1    36 333 1      C-13-H3C(O)CH3
  385673.4766  0.0027 -3.3298 3  248.2649600 -59516140437 434 2    36 333 2      C-13-H3C(O)CH3
  385673.4766  0.0027 -3.9292 3  248.2654600 -59516140437 334 1    36 333 1      C-13-H3C(O)CH3
  385673.4766  0.0027 -3.3298 3  248.2649600 -59516140437 334 2    36 433 2      C-13-H3C(O)CH3
  385673.4766  0.0027 -3.9292 3  248.2654600 -59516140437 434 1    36 433 1      C-13-H3C(O)CH3
  385673.5580  0.0027 -6.6010 3  248.2649600  59516140437 334 2    36 333 2      C-13-H3C(O)CH3
  385673.5580  0.0027 -6.6010 3  248.2649600  59516140437 434 2    36 433 2      C-13-H3C(O)CH3
  385696.7971  0.0206 -6.6612 3  298.8814520  5951614043225 7 1    322211 1      C-13-H3C(O)CH3
  385710.5107  0.0023 -6.1303 3  248.2429600 -59516140437 334 0    36 333 0      C-13-H3C(O)CH3
  385710.5107  0.0023 -6.1303 3  248.2429600 -59516140437 434 0    36 433 0      C-13-H3C(O)CH3
  385710.5555  0.0023 -3.3301 3  248.2429600  59516140437 334 0    36 433 0      C-13-H3C(O)CH3
  385710.5555  0.0023 -3.3301 3  248.2429600  59516140437 434 0    36 333 0      C-13-H3C(O)CH3
  385718.9156  0.0136 -5.5000 3  532.8818840  59516140452 845 2    52 746 2      C-13-H3C(O)CH3
  385718.9156  0.0136 -4.5717 3  532.8818840  59516140452 845 2    52 646 2      C-13-H3C(O)CH3
  385718.9156  0.0136 -4.5717 3  532.8818840  59516140452 745 2    52 746 2      C-13-H3C(O)CH3
  385718.9156  0.0136 -5.5000 3  532.8818840  59516140452 745 2    52 646 2      C-13-H3C(O)CH3
  385719.1143  0.0139 -4.5253 3  532.8822840  59516140452 845 1    52 646 1      C-13-H3C(O)CH3
  385719.1143  0.0139 -4.5253 3  532.8822840  59516140452 745 1    52 746 1      C-13-H3C(O)CH3
  385744.2349  0.0235 -6.4497 3  298.8895520  5951614043225 8 2    322211 2      C-13-H3C(O)CH3
  385759.7797  0.0389 -5.2579 3 1101.7100A96  595161404682246 0    682147 0      C-13-H3C(O)CH3
  385759.7797  0.0389 -6.6275 3 1101.7100A96  595161404682246 0    682247 0      C-13-H3C(O)CH3
  385759.7797  0.0389 -6.6275 3 1101.7100A96  595161404682346 0    682147 0      C-13-H3C(O)CH3
  385759.7797  0.0389 -5.2579 3 1101.7100A96  595161404682346 0    682247 0      C-13-H3C(O)CH3
  385800.1274  0.0175 -5.7554 3  436.2703648  595161404402317 0    402020 0      C-13-H3C(O)CH3
  385808.7393  0.0443 -5.2397 3 1101.7217A96  595161404682246 1    682247 1      C-13-H3C(O)CH3
  385808.7393  0.0443 -5.2397 3 1101.7217A96  595161404682346 1    682147 1      C-13-H3C(O)CH3
  385813.2053  0.0481 -5.4458 3 1101.7223A96  595161404682346 2    682147 2      C-13-H3C(O)CH3
  385813.2053  0.0481 -5.4458 3 1101.7223A96  595161404682246 2    682247 2      C-13-H3C(O)CH3
  385813.2053  0.0481 -5.6622 3 1101.7223A96  595161404682246 2    682147 2      C-13-H3C(O)CH3
  385813.2053  0.0481 -5.6622 3 1101.7223A96  595161404682346 2    682247 2      C-13-H3C(O)CH3
  385841.5406  0.0109 -4.6531 3  532.9043840  59516140452 745 0    52 746 0      C-13-H3C(O)CH3
  385841.5406  0.0109 -4.6531 3  532.9043840  59516140452 845 0    52 646 0      C-13-H3C(O)CH3
  385841.5677  0.0109 -5.1101 3  532.9043840 -59516140452 745 0    52 646 0      C-13-H3C(O)CH3
  385841.5677  0.0109 -5.1101 3  532.9043840 -59516140452 845 0    52 746 0      C-13-H3C(O)CH3
  385845.3936  0.0198 -5.7550 3  436.2466648  595161404402317 1    402020 1      C-13-H3C(O)CH3
  385850.0527  0.0216 -5.5600 3  501.9112664  5951614044133 9 0    4034 6 0      C-13-H3C(O)CH3
  385850.0535  0.0216 -5.5600 3  501.9112664  5951614044133 8 0    4034 7 0      C-13-H3C(O)CH3
  385858.0050  0.0270 -6.2978 3  352.5089568  5951614043526 9 2    352313 2      C-13-H3C(O)CH3
  385862.2546  0.0387 -6.0289 3 1101.7340548  595161404682346 3    682247 3      C-13-H3C(O)CH3
  385862.2546  0.0387 -5.7111 3 1101.7340548  595161404682246 3    682247 3      C-13-H3C(O)CH3
  385862.2546  0.0387 -5.7111 3 1101.7340548  595161404682346 3    682147 3      C-13-H3C(O)CH3
  385862.2546  0.0387 -6.0289 3 1101.7340548  595161404682246 3    682147 3      C-13-H3C(O)CH3
  385862.3897  0.0388 -6.1040 3 1101.7341548  595161404682246 4    682147 4      C-13-H3C(O)CH3
  385862.3897  0.0388 -5.6791 3 1101.7341548  595161404682246 4    682247 4      C-13-H3C(O)CH3
  385862.3897  0.0388 -6.1040 3 1101.7341548  595161404682346 4    682247 4      C-13-H3C(O)CH3
  385862.3897  0.0388 -5.6791 3 1101.7341548  595161404682346 4    682147 4      C-13-H3C(O)CH3
  385869.1587  0.0215 -5.5607 3  501.9100664  5951614044133 8 1    4034 6 1      C-13-H3C(O)CH3
  385877.7100  0.0206 -6.3624 3  298.8895520  5951614043225 7 2    322211 2      C-13-H3C(O)CH3
  385888.7314  0.4873 -6.6426 3 1510.2454A96  5951614046865 4 1    6864 5 1      C-13-H3C(O)CH3
  385927.3529  0.0134 -4.8378 3  501.4757412  59516140451 645 4    51 546 4      C-13-H3C(O)CH3
  385927.3529  0.0134 -6.2877 3  501.4757412  59516140451 645 4    51 646 4      C-13-H3C(O)CH3
  385927.3529  0.0134 -4.8378 3  501.4757412  59516140451 745 4    51 646 4      C-13-H3C(O)CH3
  385927.3529  0.0134 -6.2877 3  501.4757412  59516140451 745 4    51 546 4      C-13-H3C(O)CH3
  385927.7919  0.0130 -5.6980 3  501.4757412  59516140451 645 3    51 546 3      C-13-H3C(O)CH3
  385927.7919  0.0130 -4.8847 3  501.4757412  59516140451 645 3    51 646 3      C-13-H3C(O)CH3
  385927.7919  0.0130 -5.6980 3  501.4757412  59516140451 745 3    51 646 3      C-13-H3C(O)CH3
  385927.7919  0.0130 -4.8847 3  501.4757412  59516140451 745 3    51 546 3      C-13-H3C(O)CH3
  385987.9746  0.0056 -4.8432 3   52.1293264  59516140416 511 2    15 412 2      C-13-H3C(O)CH3
  385988.7938  0.0056 -4.8432 3   52.1293264  59516140416 611 2    15 312 2      C-13-H3C(O)CH3
  385990.6838  0.0169 -6.1019 3  298.9094520  5951614043225 8 0    322211 0      C-13-H3C(O)CH3
  385999.8939  0.0054 -4.8434 3   52.1300264  59516140416 511 1    15 412 1      C-13-H3C(O)CH3
  386000.6842  0.0054 -4.8434 3   52.1300264  59516140416 611 1    15 312 1      C-13-H3C(O)CH3
  386010.4681  0.6322 -6.6424 3 1510.2636A96  5951614046865 3 0    6864 4 0      C-13-H3C(O)CH3
  386010.4681  0.6322 -6.6424 3 1510.2636A96  5951614046865 4 0    6864 5 0      C-13-H3C(O)CH3
  386074.4710  0.1493 -5.9923 3  866.7631904  595161404563422 0    563125 0      C-13-H3C(O)CH3
  386076.8849  0.4935 -6.6425 3 1510.2799A96  5951614046865 3 1    6864 4 1      C-13-H3C(O)CH3
  386088.3322  0.2383 -6.6962 3 1906.3958D84  595161404863948 2    863849 2      C-13-H3C(O)CH3
  386088.3322  0.2383 -6.6921 3 1906.3958D84  595161404863848 2    863749 2      C-13-H3C(O)CH3
  386095.1117  0.2654 -6.6884 3 1906.3930D84  595161404863948 1    863849 1      C-13-H3C(O)CH3
  386095.1117  0.2654 -6.6884 3 1906.3930D84  595161404863848 1    863749 1      C-13-H3C(O)CH3
  386103.5918  0.0231 -5.5598 3  501.8709664  5951614044133 9 1    4034 7 1      C-13-H3C(O)CH3
  386114.9009  0.0128 -4.5211 3  501.4907824  59516140451 745 2    51 546 2      C-13-H3C(O)CH3
  386114.9009  0.0128 -4.5211 3  501.4907824  59516140451 645 2    51 646 2      C-13-H3C(O)CH3
  386115.0046  0.0134 -5.2442 3  501.4911824  59516140451 645 1    51 646 1      C-13-H3C(O)CH3
  386115.0046  0.0134 -4.6122 3  501.4911824  59516140451 745 1    51 646 1      C-13-H3C(O)CH3
  386115.0046  0.0134 -5.2442 3  501.4911824  59516140451 745 1    51 546 1      C-13-H3C(O)CH3
  386115.0046  0.0134 -4.6122 3  501.4911824  59516140451 645 1    51 546 1      C-13-H3C(O)CH3
  386118.7716  0.0932 -6.5421 3 1527.5222628  595161404783147 4    783048 4      C-13-H3C(O)CH3
  386118.7716  0.0932 -6.6368 3 1527.5222628  595161404783147 4    783148 4      C-13-H3C(O)CH3
  386118.7716  0.0932 -6.6368 3 1527.5222628  595161404783247 4    783048 4      C-13-H3C(O)CH3
  386118.7716  0.0932 -6.5421 3 1527.5222628  595161404783247 4    783148 4      C-13-H3C(O)CH3
  386118.8069  0.0932 -6.7623 3 1527.5222628  595161404783247 3    783148 3      C-13-H3C(O)CH3
  386118.8069  0.0932 -6.3404 3 1527.5222628  595161404783247 3    783048 3      C-13-H3C(O)CH3
  386118.8069  0.0932 -6.4623 3 1527.5222628  595161404783147 3    783148 3      C-13-H3C(O)CH3
  386127.5662  0.2688 -6.6888 3 1906.3944D84  595161404863848 0    863849 0      C-13-H3C(O)CH3
  386127.5662  0.2688 -6.6889 3 1906.3944D84  595161404863948 0    863749 0      C-13-H3C(O)CH3
  386136.3286  0.4554 -6.6423 3 1510.2595A96  5951614046865 4 2    6864 5 2      C-13-H3C(O)CH3
  386149.3689  0.1030 -6.3438 3 1527.5033C56  595161404783147 1    783148 1      C-13-H3C(O)CH3
  386149.3689  0.1030 -6.2345 3 1527.5033C56  595161404783147 1    783048 1      C-13-H3C(O)CH3
  386149.3689  0.1030 -6.2345 3 1527.5033C56  595161404783247 1    783148 1      C-13-H3C(O)CH3
  386149.3689  0.1030 -6.3438 3 1527.5033C56  595161404783247 1    783048 1      C-13-H3C(O)CH3
  386151.7099  0.0993 -5.9861 3 1527.5061C56  595161404783247 2    783148 2      C-13-H3C(O)CH3
  386151.7099  0.0993 -5.9861 3 1527.5061C56  595161404783147 2    783048 2      C-13-H3C(O)CH3
  386152.2118  0.0212 -5.5600 3  501.9081664  5951614044133 8 2    4034 6 2      C-13-H3C(O)CH3
  386171.6548  0.0248 -5.8618 3  501.9068332  5951614044133 8 4    4034 6 4      C-13-H3C(O)CH3
  386179.1548  0.0213 -5.5589 3  501.8869664  5951614044133 9 2    4034 7 2      C-13-H3C(O)CH3
  386182.2663  0.1068 -6.4094 3 1527.4872C56  595161404783247 0    783148 0      C-13-H3C(O)CH3
  386182.2663  0.1068 -6.1894 3 1527.4872C56  595161404783247 0    783048 0      C-13-H3C(O)CH3
  386182.2663  0.1068 -6.4094 3 1527.4872C56  595161404783147 0    783048 0      C-13-H3C(O)CH3
  386182.2663  0.1068 -6.1894 3 1527.4872C56  595161404783147 0    783148 0      C-13-H3C(O)CH3
  386196.8724  0.0241 -5.8607 3  501.8857332  5951614044133 8 3    4034 6 3      C-13-H3C(O)CH3
  386233.3914  0.0154 -5.9982 3  470.6835404  59516140450 645 4    50 546 4      C-13-H3C(O)CH3
  386233.3914  0.0154 -4.8648 3  470.6835404  59516140450 645 4    50 446 4      C-13-H3C(O)CH3
  386233.3914  0.0154 -5.9982 3  470.6835404  59516140450 545 4    50 446 4      C-13-H3C(O)CH3
  386233.3914  0.0154 -4.8648 3  470.6835404  59516140450 545 4    50 546 4      C-13-H3C(O)CH3
  386233.8016  0.0148 -5.4961 3  470.6835404  59516140450 645 3    50 446 3      C-13-H3C(O)CH3
  386233.8016  0.0148 -5.4961 3  470.6835404  59516140450 545 3    50 546 3      C-13-H3C(O)CH3
  386233.8016  0.0148 -4.9407 3  470.6835404  59516140450 545 3    50 446 3      C-13-H3C(O)CH3
  386233.8016  0.0148 -4.9407 3  470.6835404  59516140450 645 3    50 546 3      C-13-H3C(O)CH3
  386272.5939  0.4953 -6.6422 3 1510.2737A96  5951614046865 3 2    6864 4 2      C-13-H3C(O)CH3
  386301.8300  0.0111 -4.5280 3  501.5062824  59516140451 745 0    51 646 0      C-13-H3C(O)CH3
  386301.8300  0.0111 -4.5280 3  501.5062824  59516140451 645 0    51 546 0      C-13-H3C(O)CH3
  386301.8315  0.0111 -6.2915 3  501.5062824 -59516140451 745 0    51 546 0      C-13-H3C(O)CH3
  386301.8315  0.0111 -6.2915 3  501.5062824 -59516140451 645 0    51 646 0      C-13-H3C(O)CH3
  386331.1860  0.0056 -4.8421 3   52.0775264  59516140416 511 0    15 412 0      C-13-H3C(O)CH3
  386332.0155  0.0056 -4.8421 3   52.0775264  59516140416 611 0    15 312 0      C-13-H3C(O)CH3
  386347.9965  0.0019 -3.9861 3  199.7223228 -595161404281315 4    271414 4      C-13-H3C(O)CH3
  386347.9965  0.0019 -3.9861 3  199.7223228 -595161404281315 3    271414 3      C-13-H3C(O)CH3
  386404.2108  0.0246 -5.8609 3  501.8678332  5951614044133 9 3    4034 7 3      C-13-H3C(O)CH3
  386420.9169  0.0021 -3.6851 3  199.7340456 -595161404281315 1    271414 1      C-13-H3C(O)CH3
  386430.0097  0.0254 -5.8598 3  501.8465332  5951614044133 9 4    4034 7 4      C-13-H3C(O)CH3
  386430.5826  0.0021 -3.6853 3  199.7299456 -595161404281315 2    271414 2      C-13-H3C(O)CH3
  386488.0561  0.0367 -5.3065 3 1060.9868A80  595161404672146 0    672047 0      C-13-H3C(O)CH3
  386488.0561  0.0367 -5.7475 3 1060.9868A80  595161404672146 0    672147 0      C-13-H3C(O)CH3
  386488.0561  0.0367 -5.3065 3 1060.9868A80  595161404672246 0    672147 0      C-13-H3C(O)CH3
  386488.0561  0.0367 -5.7475 3 1060.9868A80  595161404672246 0    672047 0      C-13-H3C(O)CH3
  386496.3652  0.0141 -4.6845 3  470.6891808  59516140450 645 1    50 546 1      C-13-H3C(O)CH3
  386496.3652  0.0141 -4.6845 3  470.6891808  59516140450 545 1    50 446 1      C-13-H3C(O)CH3
  386496.3953  0.0129 -4.5341 3  470.6887808 -59516140450 645 2    50 546 2      C-13-H3C(O)CH3
  386496.3953  0.0141 -5.0617 3  470.6891808 -59516140450 645 1    50 446 1      C-13-H3C(O)CH3
  386496.3953  0.0141 -5.0617 3  470.6891808 -59516140450 545 1    50 546 1      C-13-H3C(O)CH3
  386496.3953  0.0129 -4.5341 3  470.6887808 -59516140450 545 2    50 446 2      C-13-H3C(O)CH3
  386503.3229  0.0019 -3.6853 3  199.7416456 -595161404281315 0    271414 0      C-13-H3C(O)CH3
  386514.2783  0.0189 -5.2208 3  440.4840396  59516140449 445 4    49 446 4      C-13-H3C(O)CH3
  386514.2783  0.0189 -5.1161 3  440.4840396  59516140449 445 4    49 346 4      C-13-H3C(O)CH3
  386514.2783  0.0189 -5.2208 3  440.4840396  59516140449 545 4    49 346 4      C-13-H3C(O)CH3
  386514.2783  0.0189 -5.1161 3  440.4840396  59516140449 545 4    49 446 4      C-13-H3C(O)CH3
  386514.5728  0.0182 -6.1583 3  440.4840396  59516140449 445 3    49 446 3      C-13-H3C(O)CH3
  386514.5728  0.0182 -4.8869 3  440.4840396  59516140449 545 3    49 446 3      C-13-H3C(O)CH3
  386514.5728  0.0182 -6.1583 3  440.4840396  59516140449 545 3    49 346 3      C-13-H3C(O)CH3
  386514.5728  0.0182 -4.8869 3  440.4840396  59516140449 445 3    49 346 3      C-13-H3C(O)CH3
  386548.1708  0.0425 -5.1924 3 1060.9954A80  595161404672246 1    672047 1      C-13-H3C(O)CH3
  386548.1708  0.0425 -6.5106 3 1060.9954A80  595161404672246 1    672147 1      C-13-H3C(O)CH3
  386548.1708  0.0425 -6.5106 3 1060.9954A80  595161404672146 1    672047 1      C-13-H3C(O)CH3
  386548.1708  0.0425 -5.1924 3 1060.9954A80  595161404672146 1    672147 1      C-13-H3C(O)CH3
  386552.2051  0.0456 -6.6321 3 1060.9958A80  595161404672146 2    672147 2      C-13-H3C(O)CH3
  386552.2051  0.0456 -5.1874 3 1060.9958A80  595161404672146 2    672047 2      C-13-H3C(O)CH3
  386552.2051  0.0456 -5.1874 3 1060.9958A80  595161404672246 2    672147 2      C-13-H3C(O)CH3
  386552.2051  0.0456 -6.6321 3 1060.9958A80  595161404672246 2    672047 2      C-13-H3C(O)CH3
  386553.9098  0.0020 -3.9187 3  208.4793236 -595161404291217 3    281316 3      C-13-H3C(O)CH3
  386553.9098  0.0020 -3.9187 3  208.4793236 -595161404291217 4    281316 4      C-13-H3C(O)CH3
  386557.9969  0.0020 -3.9187 3  208.4792236  595161404291317 4    281216 4      C-13-H3C(O)CH3
  386558.1924  0.0020 -3.9187 3  208.4791236  595161404291317 3    281216 3      C-13-H3C(O)CH3
  386563.7974  0.0019 -3.9855 3  199.7166228  595161404281415 4    271314 4      C-13-H3C(O)CH3
  386564.6050  0.0018 -3.9855 3  199.7166228  595161404281415 3    271314 3      C-13-H3C(O)CH3
  386612.4180  0.0359 -5.4824 3 1061.0044540  595161404672146 3    672147 3      C-13-H3C(O)CH3
  386612.4180  0.0359 -5.4824 3 1061.0044540  595161404672246 3    672047 3      C-13-H3C(O)CH3
  386612.5701  0.0360 -6.2756 3 1061.0044540  595161404672246 4    672147 4      C-13-H3C(O)CH3
  386612.5701  0.0360 -5.5473 3 1061.0044540  595161404672146 4    672147 4      C-13-H3C(O)CH3
  386612.5701  0.0360 -6.2756 3 1061.0044540  595161404672146 4    672047 4      C-13-H3C(O)CH3
  386612.5701  0.0360 -5.5473 3 1061.0044540  595161404672246 4    672047 4      C-13-H3C(O)CH3
  386617.6923  0.0022 -3.6177 3  208.4917472 -595161404291217 1    281316 1      C-13-H3C(O)CH3
  386621.7501  0.0022 -3.6177 3  208.4916472 -595161404291317 1    281216 1      C-13-H3C(O)CH3
  386624.7714  0.0022 -3.6178 3  208.4888472 -595161404291217 2    281316 2      C-13-H3C(O)CH3
  386629.0184  0.0022 -3.6178 3  208.4887472 -595161404291317 2    281216 2      C-13-H3C(O)CH3
  386635.5568  0.0021 -3.6845 3  199.7283456 -595161404281415 1    271314 1      C-13-H3C(O)CH3
  386652.2691  0.0021 -3.6847 3  199.7240456 -595161404281415 2    271314 2      C-13-H3C(O)CH3
  386688.3521  0.0020 -3.6178 3  208.5013472 -595161404291217 0    281316 0      C-13-H3C(O)CH3
  386691.6494  0.5880 -6.7412 3 1723.6794B92  5951614047466 9 0    746510 0      C-13-H3C(O)CH3
  386691.6494  0.5880 -6.7412 3 1723.6794B92  5951614047466 8 0    7465 9 0      C-13-H3C(O)CH3
  386692.5139  0.0020 -3.6178 3  208.5012472 -595161404291317 0    281216 0      C-13-H3C(O)CH3
  386723.2247  0.0019 -3.6848 3  199.7357456 -595161404281415 0    271314 0      C-13-H3C(O)CH3
  386737.6966  0.5168 -6.6976 3 1478.5112A80  5951614046765 3 1    6764 4 1      C-13-H3C(O)CH3
  386739.4266  0.0025 -3.6090 3  251.3628308  59516140438 336 3    37 335 3      C-13-H3C(O)CH3
  386739.4266  0.0025 -3.6090 3  251.3628308  59516140438 236 3    37 235 3      C-13-H3C(O)CH3
  386739.4441  0.0025 -4.2903 3  251.3628308  59516140438 236 4    37 235 4      C-13-H3C(O)CH3
  386739.4441  0.0025 -4.2903 3  251.3628308  59516140438 336 4    37 335 4      C-13-H3C(O)CH3
  386739.4769  0.0025 -3.7070 3  251.3628308 -59516140438 336 4    37 235 4      C-13-H3C(O)CH3
  386739.4769  0.0025 -3.7070 3  251.3628308 -59516140438 236 4    37 335 4      C-13-H3C(O)CH3
  386739.4769  0.0025 -5.8134 3  251.3628308 -59516140438 336 3    37 235 3      C-13-H3C(O)CH3
  386739.4769  0.0025 -5.8134 3  251.3628308 -59516140438 236 3    37 335 3      C-13-H3C(O)CH3
  386751.7773  0.4431 -6.7411 3 1723.6529B92  5951614047466 8 2    7465 9 2      C-13-H3C(O)CH3
  386758.4504  0.0118 -4.6667 3  470.6944808  59516140450 545 0    50 446 0      C-13-H3C(O)CH3
  386758.4504  0.0118 -5.1044 3  470.6944808  59516140450 645 0    50 446 0      C-13-H3C(O)CH3
  386758.4504  0.0118 -5.1044 3  470.6944808  59516140450 545 0    50 546 0      C-13-H3C(O)CH3
  386758.4504  0.0118 -4.6667 3  470.6944808  59516140450 645 0    50 546 0      C-13-H3C(O)CH3
  386763.8772  0.4417 -6.7410 3 1723.6528B92  5951614047466 9 1    746510 1      C-13-H3C(O)CH3
  386769.2304  0.0028 -3.3143 3  251.3291616  59516140438 336 1    37 235 1      C-13-H3C(O)CH3
  386769.2304  0.0028 -4.9869 3  251.3291616  59516140438 236 1    37 235 1      C-13-H3C(O)CH3
  386769.2916  0.0028 -3.3143 3  251.3291616 -59516140438 236 1    37 335 1      C-13-H3C(O)CH3
  386769.2916  0.0028 -3.9100 3  251.3286616 -59516140438 336 2    37 335 2      C-13-H3C(O)CH3
  386769.2916  0.0028 -4.9869 3  251.3291616 -59516140438 336 1    37 335 1      C-13-H3C(O)CH3
  386769.2916  0.0028 -3.9100 3  251.3286616 -59516140438 236 2    37 235 2      C-13-H3C(O)CH3
  386769.3265  0.0028 -3.4291 3  251.3286616  59516140438 236 2    37 335 2      C-13-H3C(O)CH3
  386769.3265  0.0028 -3.4291 3  251.3286616  59516140438 336 2    37 235 2      C-13-H3C(O)CH3
  386770.2863  0.0241 -5.3232 3  410.8783388  59516140448 445 4    48 246 4      C-13-H3C(O)CH3
  386770.2863  0.0241 -5.1445 3  410.8783388  59516140448 445 4    48 346 4      C-13-H3C(O)CH3
  386770.2863  0.0241 -5.3232 3  410.8783388  59516140448 345 4    48 346 4      C-13-H3C(O)CH3
  386770.2863  0.0241 -5.1445 3  410.8783388  59516140448 345 4    48 246 4      C-13-H3C(O)CH3
  386770.3407  0.0232 -5.6822 3  410.8782388  59516140448 445 3    48 346 3      C-13-H3C(O)CH3
  386770.3407  0.0232 -5.0070 3  410.8782388  59516140448 345 3    48 346 3      C-13-H3C(O)CH3
  386770.3407  0.0232 -5.0070 3  410.8782388  59516140448 445 3    48 246 3      C-13-H3C(O)CH3
  386770.3407  0.0232 -5.6822 3  410.8782388  59516140448 345 3    48 246 3      C-13-H3C(O)CH3
  386775.7432  0.4600 -6.7411 3 1723.6599B92  5951614047466 8 1    7465 9 1      C-13-H3C(O)CH3
  386799.0317  0.0023 -3.3328 3  251.2950616 -59516140438 236 0    37 235 0      C-13-H3C(O)CH3
  386799.0317  0.0023 -4.5131 3  251.2950616 -59516140438 236 0    37 335 0      C-13-H3C(O)CH3
  386799.0317  0.0023 -4.5131 3  251.2950616 -59516140438 336 0    37 235 0      C-13-H3C(O)CH3
  386799.0317  0.0023 -3.3328 3  251.2950616 -59516140438 336 0    37 335 0      C-13-H3C(O)CH3
  386817.4489  0.0177 -5.7802 3  121.8783344  5951614042116 6 1    2015 5 1      C-13-H3C(O)CH3
  386822.5766  0.1634 -6.5414 3  660.4352792  595161404492920 2    483217 2      C-13-H3C(O)CH3
  386850.4905  0.4127 -6.7409 3 1723.6471B92  5951614047466 9 2    746510 2      C-13-H3C(O)CH3
  386864.1039  0.0161 -4.6487 3  440.4765792  59516140449 545 2    49 446 2      C-13-H3C(O)CH3
  386864.1039  0.0161 -5.3056 3  440.4765792  59516140449 545 2    49 346 2      C-13-H3C(O)CH3
  386864.1039  0.0161 -4.6487 3  440.4765792  59516140449 445 2    49 346 2      C-13-H3C(O)CH3
  386864.1039  0.0161 -5.3056 3  440.4765792  59516140449 445 2    49 446 2      C-13-H3C(O)CH3
  386864.1693  0.0179 -5.6514 3  440.4769792  59516140449 545 1    49 346 1      C-13-H3C(O)CH3
  386864.1693  0.0179 -4.5992 3  440.4769792  59516140449 545 1    49 446 1      C-13-H3C(O)CH3
  386864.1693  0.0179 -4.5992 3  440.4769792  59516140449 445 1    49 346 1      C-13-H3C(O)CH3
  386864.1693  0.0179 -5.6514 3  440.4769792  59516140449 445 1    49 446 1      C-13-H3C(O)CH3
  386900.4163  0.0067 -6.0807 3   35.7446124  59516140415 213 3    14 114 3      C-13-H3C(O)CH3
  386900.4163  0.0067 -6.0807 3   35.7446124  59516140415 313 3    14 014 3      C-13-H3C(O)CH3
  386900.8593  0.0080 -6.0807 3   35.7446124  59516140415 213 4    14 114 4      C-13-H3C(O)CH3
  386900.8594  0.0080 -6.0807 3   35.7446124  59516140415 313 4    14 014 4      C-13-H3C(O)CH3
  386909.4818  0.6692 -6.6974 3 1478.5292A80  5951614046765 2 0    6764 3 0      C-13-H3C(O)CH3
  386909.4818  0.6692 -6.6974 3 1478.5292A80  5951614046765 3 0    6764 4 0      C-13-H3C(O)CH3
  386934.3028  0.0217 -5.7433 3  518.9353712  595161404442421 0    432518 0      C-13-H3C(O)CH3
  386957.5865  0.5253 -6.6975 3 1478.5526A80  5951614046765 2 1    6764 3 1      C-13-H3C(O)CH3
  387001.3603  0.0302 -5.0495 3  381.8671380  59516140447 245 3    47 146 3      C-13-H3C(O)CH3
  387001.3603  0.0302 -6.5330 3  381.8671380  59516140447 245 3    47 246 3      C-13-H3C(O)CH3
  387001.3603  0.0302 -5.0495 3  381.8671380  59516140447 345 3    47 246 3      C-13-H3C(O)CH3
  387001.3603  0.0302 -6.5330 3  381.8671380  59516140447 345 3    47 146 3      C-13-H3C(O)CH3
  387001.7179  0.0310 -5.4682 3  381.8672380  59516140447 245 4    47 246 4      C-13-H3C(O)CH3
  387001.7179  0.0310 -5.2356 3  381.8672380  59516140447 245 4    47 146 4      C-13-H3C(O)CH3
  387001.7179  0.0310 -5.2356 3  381.8672380  59516140447 345 4    47 246 4      C-13-H3C(O)CH3
  387001.7179  0.0310 -5.4682 3  381.8672380  59516140447 345 4    47 146 4      C-13-H3C(O)CH3
  387004.0848  0.4803 -6.6974 3 1478.5321A80  5951614046765 3 2    6764 4 2      C-13-H3C(O)CH3
  387058.6082  0.0222 -5.7424 3  518.9124712  595161404442421 1    432518 1      C-13-H3C(O)CH3
  387150.2232  0.0021 -3.8674 3  216.5999244 -595161404301219 4    291118 4      C-13-H3C(O)CH3
  387150.2232  0.0021 -3.8674 3  216.5999244 -595161404301119 4    291218 4      C-13-H3C(O)CH3
  387150.2232  0.0021 -3.8674 3  216.5999244 -595161404301119 3    291218 3      C-13-H3C(O)CH3
  387150.3817  0.0021 -3.8674 3  216.5999244  595161404301219 3    291118 3      C-13-H3C(O)CH3
  387173.0154  0.0175 -5.6436 3  121.8791344  5951614042116 6 2    2015 5 2      C-13-H3C(O)CH3
  387185.5462  0.0344 -5.1080 3 1020.8397A64  595161404662146 0    662047 0      C-13-H3C(O)CH3
  387185.5462  0.0344 -5.1080 3 1020.8397A64  595161404662046 0    661947 0      C-13-H3C(O)CH3
  387193.1853  0.0835 -6.2852 3 1481.0716620  595161404773047 4    772948 4      C-13-H3C(O)CH3
  387193.1853  0.0835 -6.2371 3 1481.0716620  595161404773147 4    773048 4      C-13-H3C(O)CH3
  387193.2070  0.0835 -6.2071 3 1481.0715620  595161404773147 3    773048 3      C-13-H3C(O)CH3
  387193.2070  0.0835 -6.2071 3 1481.0715620  595161404773047 3    772948 3      C-13-H3C(O)CH3
  387193.6474  0.0066 -6.5826 3  125.8524376  59516140423 914 2    23 617 2      C-13-H3C(O)CH3
  387195.4208  0.0066 -6.5826 3  125.8524376  595161404231014 2    23 717 2      C-13-H3C(O)CH3
  387207.9164  0.0394 -5.2855 3  353.4517372  59516140446 145 3    46 046 3      C-13-H3C(O)CH3
  387207.9164  0.0394 -5.2855 3  353.4517372  59516140446 245 3    46 146 3      C-13-H3C(O)CH3
  387208.7113  0.0024 -3.5663 3  216.6124488 -595161404301219 1    291118 1      C-13-H3C(O)CH3
  387208.7113  0.0024 -3.5663 3  216.6124488 -595161404301119 1    291218 1      C-13-H3C(O)CH3
  387208.9158  0.0402 -5.2899 3  353.4517372  59516140446 245 4    46 046 4      C-13-H3C(O)CH3
  387208.9158  0.0402 -6.6983 3  353.4517372  59516140446 245 4    46 146 4      C-13-H3C(O)CH3
  387208.9158  0.0402 -6.6983 3  353.4517372  59516140446 145 4    46 046 4      C-13-H3C(O)CH3
  387208.9158  0.0402 -5.2899 3  353.4517372  59516140446 145 4    46 146 4      C-13-H3C(O)CH3
  387211.7451  0.0914 -6.5041 3  660.4329792  595161404492920 1    483217 1      C-13-H3C(O)CH3
  387213.0668  0.0149 -4.5946 3  440.4694792  59516140449 445 0    49 346 0      C-13-H3C(O)CH3
  387213.0668  0.0149 -4.5946 3  440.4694792  59516140449 545 0    49 446 0      C-13-H3C(O)CH3
  387213.0668  0.0149 -5.6934 3  440.4694792  59516140449 445 0    49 446 0      C-13-H3C(O)CH3
  387213.0668  0.0149 -5.6934 3  440.4694792  59516140449 545 0    49 346 0      C-13-H3C(O)CH3
  387213.2138  0.0023 -3.5664 3  216.6102488 -595161404301119 2    291218 2      C-13-H3C(O)CH3
  387213.2138  0.0023 -3.5664 3  216.6102488 -595161404301219 2    291118 2      C-13-H3C(O)CH3
  387214.6204  0.5277 -6.6971 3 1478.5500A80  5951614046765 2 2    6764 3 2      C-13-H3C(O)CH3
  387218.3517  0.0885 -6.2996 3 1481.0513C40  595161404773147 1    773048 1      C-13-H3C(O)CH3
  387218.3517  0.0885 -6.2996 3 1481.0513C40  595161404773047 1    772948 1      C-13-H3C(O)CH3
  387218.3517  0.0885 -6.1193 3 1481.0513C40  595161404773047 1    773048 1      C-13-H3C(O)CH3
  387218.3517  0.0885 -6.1193 3 1481.0513C40  595161404773147 1    772948 1      C-13-H3C(O)CH3
  387219.1387  0.0238 -4.6225 3  410.8547776  59516140448 345 2    48 346 2      C-13-H3C(O)CH3
  387219.1387  0.0238 -4.6225 3  410.8547776  59516140448 445 2    48 246 2      C-13-H3C(O)CH3
  387219.3554  0.0260 -5.8606 3  410.8551776  59516140448 345 1    48 346 1      C-13-H3C(O)CH3
  387219.3554  0.0260 -4.6473 3  410.8551776  59516140448 445 1    48 346 1      C-13-H3C(O)CH3
  387219.3554  0.0260 -5.8606 3  410.8551776  59516140448 445 1    48 246 1      C-13-H3C(O)CH3
  387219.3554  0.0260 -4.6473 3  410.8551776  59516140448 345 1    48 246 1      C-13-H3C(O)CH3
  387221.5716  0.0874 -5.8997 3 1481.0540C40  595161404773147 2    772948 2      C-13-H3C(O)CH3
  387221.5716  0.0874 -5.8997 3 1481.0540C40  595161404773047 2    773048 2      C-13-H3C(O)CH3
  387225.9877  0.0066 -6.5824 3  125.8534376  59516140423 914 1    23 617 1      C-13-H3C(O)CH3
  387227.6871  0.0066 -6.5824 3  125.8534376  595161404231014 1    23 717 1      C-13-H3C(O)CH3
  387246.7222  0.0920 -6.2128 3 1481.0338C40  595161404773047 0    773048 0      C-13-H3C(O)CH3
  387246.7222  0.0920 -6.1877 3 1481.0338C40  595161404773047 0    772948 0      C-13-H3C(O)CH3
  387246.7222  0.0920 -6.0851 3 1481.0338C40  595161404773147 0    772948 0      C-13-H3C(O)CH3
  387246.7222  0.0920 -6.3568 3 1481.0338C40  595161404773147 0    773048 0      C-13-H3C(O)CH3
  387256.2115  0.0403 -5.2026 3 1020.8447A64  595161404662046 1    662047 1      C-13-H3C(O)CH3
  387256.2115  0.0403 -5.8096 3 1020.8447A64  595161404662046 1    661947 1      C-13-H3C(O)CH3
  387256.2115  0.0403 -5.8096 3 1020.8447A64  595161404662146 1    662047 1      C-13-H3C(O)CH3
  387256.2115  0.0403 -5.2026 3 1020.8447A64  595161404662146 1    661947 1      C-13-H3C(O)CH3
  387259.7470  0.0427 -5.1067 3 1020.8449A64  595161404662046 2    662047 2      C-13-H3C(O)CH3
  387259.7470  0.0427 -5.1067 3 1020.8449A64  595161404662146 2    661947 2      C-13-H3C(O)CH3
  387271.3498  0.0021 -3.5664 3  216.6227488 -595161404301119 0    291218 0      C-13-H3C(O)CH3
  387271.3498  0.0021 -3.5664 3  216.6227488 -595161404301219 0    291118 0      C-13-H3C(O)CH3
  387322.0470  0.0036 -3.6763 3  118.5754164 -5951614042018 2 4    1917 2 4      C-13-H3C(O)CH3
  387330.5181  0.0335 -5.4601 3 1020.8499532  595161404662046 3    661947 3      C-13-H3C(O)CH3
  387330.5181  0.0335 -6.3499 3 1020.8499532  595161404662046 3    662047 3      C-13-H3C(O)CH3
  387330.5181  0.0335 -5.4601 3 1020.8499532  595161404662146 3    662047 3      C-13-H3C(O)CH3
  387330.5181  0.0335 -6.3499 3 1020.8499532  595161404662146 3    661947 3      C-13-H3C(O)CH3
  387330.6842  0.0336 -5.5624 3 1020.8499532  595161404662146 4    662047 4      C-13-H3C(O)CH3
  387330.6842  0.0336 -5.5249 3 1020.8499532  595161404662146 4    661947 4      C-13-H3C(O)CH3
  387330.6842  0.0336 -6.0330 3 1020.8499532  595161404662046 4    661947 4      C-13-H3C(O)CH3
  387330.6842  0.0336 -5.9304 3 1020.8499532  595161404662046 4    662047 4      C-13-H3C(O)CH3
  387335.7683  0.0088 -5.7781 3   35.6719248  59516140415 213 2    14 114 2      C-13-H3C(O)CH3
  387335.7684  0.0088 -5.7781 3   35.6719248  59516140415 313 2    14 014 2      C-13-H3C(O)CH3
  387337.6928  0.0087 -5.7782 3   35.6724248  59516140415 213 1    14 114 1      C-13-H3C(O)CH3
  387337.6929  0.0087 -5.7783 3   35.6724248  59516140415 313 1    14 014 1      C-13-H3C(O)CH3
  387358.7178  0.0380 -5.7390 3  518.8988712  595161404442421 2    432518 2      C-13-H3C(O)CH3
  387421.8757  0.0032 -3.6761 3  118.5053164  5951614042018 3 3    1917 2 3      C-13-H3C(O)CH3
  387472.0439  0.0320 -6.5859 3  392.3697300  595161404372711 4    372413 4      C-13-H3C(O)CH3
  387474.4723  0.0035 -3.6759 3  118.5042164 -5951614042018 2 3    1917 3 3      C-13-H3C(O)CH3
  387475.7488  0.0397 -6.0392 3  518.8760356  595161404442421 4    432518 4      C-13-H3C(O)CH3
  387485.6018  0.0398 -6.0391 3  518.8757356  595161404442421 3    432518 3      C-13-H3C(O)CH3
  387493.1461  0.2161 -6.6244 3 1855.4331D68  595161404853848 2    853649 2      C-13-H3C(O)CH3
  387493.1461  0.2161 -6.6244 3 1855.4331D68  595161404853748 2    853749 2      C-13-H3C(O)CH3
  387498.7364  0.2404 -6.5903 3 1855.4301D68  595161404853748 1    853649 1      C-13-H3C(O)CH3
  387498.7364  0.2404 -6.5903 3 1855.4301D68  595161404853848 1    853749 1      C-13-H3C(O)CH3
  387526.4685  0.0229 -6.2334 3  392.3896600  595161404372711 1    372413 1      C-13-H3C(O)CH3
  387534.3511  0.2437 -6.6990 3 1855.4290D68  595161404853848 0    853749 0      C-13-H3C(O)CH3
  387560.7956  0.0063 -6.5794 3  125.8328376  59516140423 914 0    23 617 0      C-13-H3C(O)CH3
  387562.2699  0.0361 -5.5892 3  381.8240760  59516140447 345 2    47 246 2      C-13-H3C(O)CH3
  387562.2699  0.0361 -5.5892 3  381.8240760  59516140447 245 2    47 146 2      C-13-H3C(O)CH3
  387562.2699  0.0361 -4.7978 3  381.8240760  59516140447 245 2    47 246 2      C-13-H3C(O)CH3
  387562.2699  0.0361 -4.7978 3  381.8240760  59516140447 345 2    47 146 2      C-13-H3C(O)CH3
  387562.5607  0.0063 -6.5794 3  125.8328376  595161404231014 0    23 717 0      C-13-H3C(O)CH3
  387562.8242  0.0386 -4.7479 3  381.8243760  59516140447 245 1    47 246 1      C-13-H3C(O)CH3
  387562.8242  0.0386 -6.2013 3  381.8243760  59516140447 345 1    47 246 1      C-13-H3C(O)CH3
  387562.8242  0.0386 -4.7479 3  381.8243760  59516140447 345 1    47 146 1      C-13-H3C(O)CH3
  387562.8242  0.0386 -6.2013 3  381.8243760  59516140447 245 1    47 146 1      C-13-H3C(O)CH3
  387565.0055  0.0032 -3.3746 3  118.5570328 -5951614042018 2 1    1917 2 1      C-13-H3C(O)CH3
  387574.1291  0.0032 -3.6756 3  118.4342164 -5951614042018 3 4    1917 3 4      C-13-H3C(O)CH3
  387611.1352  0.0032 -3.3745 3  118.5689328 -5951614042018 2 2    1917 2 2      C-13-H3C(O)CH3
  387667.2540  0.0218 -4.8406 3  410.8316776  59516140448 345 0    48 246 0      C-13-H3C(O)CH3
  387667.2540  0.0218 -5.0200 3  410.8316776  59516140448 445 0    48 246 0      C-13-H3C(O)CH3
  387667.2540  0.0218 -5.0200 3  410.8316776  59516140448 345 0    48 346 0      C-13-H3C(O)CH3
  387667.2540  0.0218 -4.8406 3  410.8316776  59516140448 445 0    48 346 0      C-13-H3C(O)CH3
  387710.2008  0.0032 -3.3742 3  118.4989328 -5951614042018 3 2    1917 3 2      C-13-H3C(O)CH3
  387716.6009  0.0031 -3.3742 3  118.4859328 -5951614042018 3 1    1917 3 1      C-13-H3C(O)CH3
  387772.0453  0.0089 -5.7766 3   35.5998248  59516140415 213 0    14 114 0      C-13-H3C(O)CH3
  387772.0454  0.0089 -5.7765 3   35.5998248  59516140415 313 0    14 014 0      C-13-H3C(O)CH3
  387806.0009  0.0054 -4.1329 3  177.3540212  595161404261512 4    251411 4      C-13-H3C(O)CH3
  387816.9023  0.5973 -6.7162 3 1689.0228B76  5951614047366 7 0    7365 9 0      C-13-H3C(O)CH3
  387816.9023  0.5973 -6.7162 3 1689.0228B76  5951614047366 8 0    7365 8 0      C-13-H3C(O)CH3
  387826.8584  0.0066 -4.1330 3  177.3534212  595161404261512 3    251411 3      C-13-H3C(O)CH3
  387832.9096  0.0331 -6.5657 3  392.3689300  595161404372711 3    372413 3      C-13-H3C(O)CH3
  387845.2556  0.0277 -6.2717 3  392.3890600  595161404372711 2    372413 2      C-13-H3C(O)CH3
  387847.3224  0.0084 -6.6335 3   40.0655216  5951614041310 4 1    12 5 7 1      C-13-H3C(O)CH3
  387850.2821  0.0030 -5.3594 3  253.9001316  59516140439 238 3    38 237 3      C-13-H3C(O)CH3
  387850.2821  0.0030 -5.3594 3  253.9001316  59516140439 138 3    38 137 3      C-13-H3C(O)CH3
  387850.2921  0.0030 -3.5897 3  253.9001316 -59516140439 138 3    38 237 3      C-13-H3C(O)CH3
  387850.2921  0.0030 -3.5835 3  253.9002316 -59516140439 138 4    38 237 4      C-13-H3C(O)CH3
  387850.2921  0.0030 -6.1627 3  253.9002316 -59516140439 238 4    38 237 4      C-13-H3C(O)CH3
  387850.2921  0.0030 -3.5897 3  253.9001316 -59516140439 238 3    38 137 3      C-13-H3C(O)CH3
  387850.2987  0.0030 -6.1627 3  253.9002316  59516140439 138 4    38 137 4      C-13-H3C(O)CH3
  387850.2987  0.0030 -3.5835 3  253.9002316  59516140439 238 4    38 137 4      C-13-H3C(O)CH3
  387853.3167  0.0034 -3.3738 3  118.5505328 -5951614042018 3 0    1917 2 0      C-13-H3C(O)CH3
  387853.3167  0.0034 -3.3738 3  118.5505328 -5951614042018 2 0    1917 3 0      C-13-H3C(O)CH3
  387854.0540  0.0319 -5.1340 3  981.2696A48  595161404651946 0    651947 0      C-13-H3C(O)CH3
  387854.0540  0.0319 -5.7373 3  981.2696A48  595161404651946 0    651847 0      C-13-H3C(O)CH3
  387854.0540  0.0319 -5.7703 3  981.2696A48  595161404652046 0    651947 0      C-13-H3C(O)CH3
  387854.0540  0.0319 -5.1420 3  981.2696A48  595161404652046 0    651847 0      C-13-H3C(O)CH3
  387855.7679  0.4543 -6.7161 3 1688.9982B76  5951614047366 8 1    7365 9 1      C-13-H3C(O)CH3
  387860.0716  0.1041 -6.3894 3  660.4341792  595161404492920 0    483217 0      C-13-H3C(O)CH3
  387862.7081  0.0237 -6.1703 3  392.3896600  595161404372710 1    372413 1      C-13-H3C(O)CH3
  387869.7187  0.0034 -3.3050 3  253.8516632  59516140439 138 1    38 137 1      C-13-H3C(O)CH3
  387869.7187  0.0034 -3.3050 3  253.8516632  59516140439 238 1    38 237 1      C-13-H3C(O)CH3
  387869.7790  0.0034 -4.5552 3  253.8516632 -59516140439 238 1    38 137 1      C-13-H3C(O)CH3
  387869.7790  0.0033 -3.7457 3  253.8512632 -59516140439 238 2    38 237 2      C-13-H3C(O)CH3
  387869.7790  0.0034 -4.5552 3  253.8516632 -59516140439 138 1    38 237 1      C-13-H3C(O)CH3
  387869.7790  0.0033 -3.7457 3  253.8512632 -59516140439 138 2    38 137 2      C-13-H3C(O)CH3
  387869.7983  0.0033 -3.4638 3  253.8512632  59516140439 138 2    38 237 2      C-13-H3C(O)CH3
  387869.7983  0.0033 -3.4638 3  253.8512632  59516140439 238 2    38 137 2      C-13-H3C(O)CH3
  387889.1432  0.0028 -4.9575 3  253.8027632 -59516140439 238 0    38 137 0      C-13-H3C(O)CH3
  387889.1432  0.0028 -4.9575 3  253.8027632 -59516140439 138 0    38 237 0      C-13-H3C(O)CH3
  387889.1796  0.0028 -3.2904 3  253.8027632  59516140439 238 0    38 237 0      C-13-H3C(O)CH3
  387889.1796  0.0028 -3.2904 3  253.8027632  59516140439 138 0    38 137 0      C-13-H3C(O)CH3
  387891.6614  0.0206 -5.9005 3  392.4091600  595161404372710 0    372413 0      C-13-H3C(O)CH3
  387894.2965  0.0534 -4.9702 3  353.3850744  59516140446 145 2    46 046 2      C-13-H3C(O)CH3
  387894.2965  0.0534 -4.9702 3  353.3850744  59516140446 245 2    46 146 2      C-13-H3C(O)CH3
  387895.4363  0.0559 -4.9818 3  353.3854744  59516140446 245 1    46 046 1      C-13-H3C(O)CH3
  387895.4363  0.0559 -6.5551 3  353.3854744  59516140446 245 1    46 146 1      C-13-H3C(O)CH3
  387895.4363  0.0559 -6.5551 3  353.3854744  59516140446 145 1    46 046 1      C-13-H3C(O)CH3
  387895.4363  0.0559 -4.9818 3  353.3854744  59516140446 145 1    46 146 1      C-13-H3C(O)CH3
  387904.2466  0.4680 -6.7161 3 1689.0091B76  5951614047366 7 1    7365 8 1      C-13-H3C(O)CH3
  387915.0603  0.4558 -6.7161 3 1689.0008B76  5951614047366 7 2    7365 8 2      C-13-H3C(O)CH3
  387934.2206  0.0376 -5.1168 3  981.2706A48  595161404651946 1    651947 1      C-13-H3C(O)CH3
  387934.2206  0.0376 -5.8523 3  981.2706A48  595161404651946 1    651847 1      C-13-H3C(O)CH3
  387934.2206  0.0376 -5.1168 3  981.2706A48  595161404652046 1    651847 1      C-13-H3C(O)CH3
  387934.2206  0.0376 -5.8523 3  981.2706A48  595161404652046 1    651947 1      C-13-H3C(O)CH3
  387936.4924  0.0055 -3.8321 3  177.3594424 -595161404261512 1    251411 1      C-13-H3C(O)CH3
  387937.2142  0.0394 -5.6203 3  981.2707A48  595161404652046 2    651847 2      C-13-H3C(O)CH3
  387937.2142  0.0394 -5.1772 3  981.2707A48  595161404651946 2    651847 2      C-13-H3C(O)CH3
  387937.2142  0.0394 -5.6203 3  981.2707A48  595161404651946 2    651947 2      C-13-H3C(O)CH3
  387937.2142  0.0394 -5.1772 3  981.2707A48  595161404652046 2    651947 2      C-13-H3C(O)CH3
  387965.6991  0.0022 -3.8250 3  224.1239252 -595161404311121 4    301020 4      C-13-H3C(O)CH3
  387965.6991  0.0022 -3.8250 3  224.1238252 -595161404311021 3    301120 3      C-13-H3C(O)CH3
  387965.6991  0.0022 -3.8250 3  224.1239252 -595161404311021 4    301120 4      C-13-H3C(O)CH3
  387965.6991  0.0022 -3.8250 3  224.1238252 -595161404311121 3    301020 3      C-13-H3C(O)CH3
  387979.0876  0.4220 -6.7160 3 1688.9948B76  5951614047366 8 2    7365 9 2      C-13-H3C(O)CH3
  388001.6996  0.2407 -6.3811 3  962.9186476  595161404593623 3    593326 3      C-13-H3C(O)CH3
  388017.4933  0.0312 -5.6596 3  981.2717524  595161404652046 3    651947 3      C-13-H3C(O)CH3
  388017.4933  0.0312 -5.6315 3  981.2717524  595161404652046 3    651847 3      C-13-H3C(O)CH3
  388017.4933  0.0312 -5.6315 3  981.2717524  595161404651946 3    651947 3      C-13-H3C(O)CH3
  388017.4933  0.0312 -5.6596 3  981.2717524  595161404651946 3    651847 3      C-13-H3C(O)CH3
  388017.6692  0.0313 -5.4070 3  981.2717524  595161404651946 4    651947 4      C-13-H3C(O)CH3
  388017.6692  0.0313 -6.2162 3  981.2717524  595161404652046 4    651947 4      C-13-H3C(O)CH3
  388017.6692  0.0313 -5.4070 3  981.2717524  595161404652046 4    651847 4      C-13-H3C(O)CH3
  388017.6692  0.0313 -6.2162 3  981.2717524  595161404651946 4    651847 4      C-13-H3C(O)CH3
  388020.5629  0.0025 -3.5240 3  224.1357504 -595161404311021 1    301120 1      C-13-H3C(O)CH3
  388020.5629  0.0025 -3.5240 3  224.1357504 -595161404311121 1    301020 1      C-13-H3C(O)CH3
  388023.4471  0.0025 -3.5240 3  224.1340504 -595161404311121 2    301020 2      C-13-H3C(O)CH3
  388023.4471  0.0025 -3.5240 3  224.1340504 -595161404311021 2    301120 2      C-13-H3C(O)CH3
  388032.3644  0.2323 -6.3813 3  962.9186476  595161404593623 4    593326 4      C-13-H3C(O)CH3
  388078.2283  0.0021 -3.5240 3  224.1458504 -595161404311021 0    301120 0      C-13-H3C(O)CH3
  388078.2283  0.0021 -3.5240 3  224.1458504 -595161404311121 0    301020 0      C-13-H3C(O)CH3
  388093.6832  0.0334 -6.4477 3  392.3689300  595161404372710 3    372413 3      C-13-H3C(O)CH3
  388094.5618  0.0095 -6.6269 3   40.0640216  5951614041310 4 2    12 5 7 2      C-13-H3C(O)CH3
  388119.0014  0.0053 -3.8323 3  177.3484424 -595161404261512 2    251411 2      C-13-H3C(O)CH3
  388122.4814  0.0335 -4.7688 3  381.7812760  59516140447 245 0    47 246 0      C-13-H3C(O)CH3
  388122.4814  0.0335 -5.8116 3  381.7812760  59516140447 245 0    47 146 0      C-13-H3C(O)CH3
  388122.4814  0.0335 -4.7688 3  381.7812760  59516140447 345 0    47 146 0      C-13-H3C(O)CH3
  388122.4814  0.0335 -5.8116 3  381.7812760  59516140447 345 0    47 246 0      C-13-H3C(O)CH3
  388133.9004  0.0145 -5.7844 3  349.7209584  595161404362016 2    361719 2      C-13-H3C(O)CH3
  388224.2984  0.0752 -6.6369 3 1435.1852612  595161404763047 4    762848 4      C-13-H3C(O)CH3
  388224.2984  0.0752 -6.2723 3 1435.1852612  595161404763047 4    762948 4      C-13-H3C(O)CH3
  388224.2984  0.0752 -6.1751 3 1435.1852612  595161404762947 4    762848 4      C-13-H3C(O)CH3
  388224.3047  0.0752 -6.2021 3 1435.1851612  595161404763047 3    762948 3      C-13-H3C(O)CH3
  388224.3047  0.0752 -6.2021 3 1435.1851612  595161404762947 3    762848 3      C-13-H3C(O)CH3
  388229.1887  0.0114 -5.7841 3  349.7491584  595161404362016 0    361719 0      C-13-H3C(O)CH3
  388235.5396  0.0048 -3.8325 3  177.3542424 -595161404261512 0    251411 0      C-13-H3C(O)CH3
  388239.3604  0.0168 -6.0854 3  349.6963292  595161404362016 3    361719 3      C-13-H3C(O)CH3
  388242.9104  0.0764 -5.8167 3 1435.1640C24  595161404763047 1    762848 1      C-13-H3C(O)CH3
  388242.9104  0.0764 -5.8167 3 1435.1640C24  595161404762947 1    762948 1      C-13-H3C(O)CH3
  388244.7049  0.0159 -6.0854 3  349.6963292  595161404362016 4    361719 4      C-13-H3C(O)CH3
  388245.8666  0.0217 -4.5817 3  121.8512172  5951614042116 6 3    2015 5 3      C-13-H3C(O)CH3
  388246.8654  0.0778 -6.5205 3 1435.1664C24  595161404762947 2    762848 2      C-13-H3C(O)CH3
  388246.8654  0.0778 -5.9107 3 1435.1664C24  595161404763047 2    762848 2      C-13-H3C(O)CH3
  388246.8654  0.0778 -5.9107 3 1435.1664C24  595161404762947 2    762948 2      C-13-H3C(O)CH3
  388246.8654  0.0778 -6.5205 3 1435.1664C24  595161404763047 2    762948 2      C-13-H3C(O)CH3
  388265.4881  0.0795 -5.8183 3 1435.1452C24  595161404763047 0    762848 0      C-13-H3C(O)CH3
  388265.4881  0.0795 -6.1648 3 1435.1452C24  595161404762947 0    762848 0      C-13-H3C(O)CH3
  388265.4881  0.0795 -6.0726 3 1435.1452C24  595161404762947 0    762948 0      C-13-H3C(O)CH3
  388334.7033  0.0136 -5.7842 3  349.7246584  595161404362016 1    361719 1      C-13-H3C(O)CH3
  388355.7588  0.2367 -6.0830 3  962.9174952  595161404593623 2    593326 2      C-13-H3C(O)CH3
  388380.2088  0.1940 -6.0829 3  962.9159952  595161404593623 1    593326 1      C-13-H3C(O)CH3
  388382.5350  0.0191 -5.3662 3  470.0581648  595161404403110 0    3932 7 0      C-13-H3C(O)CH3
  388382.5813  0.0191 -5.3662 3  470.0581648  5951614044031 9 0    3932 8 0      C-13-H3C(O)CH3
  388407.2940  0.0340 -6.4323 3  392.3697300  595161404372710 4    372413 4      C-13-H3C(O)CH3
  388442.6308  0.0297 -6.1428 3  392.3890600  595161404372710 2    372413 2      C-13-H3C(O)CH3
  388481.9965  0.0198 -5.3666 3  470.0482648  5951614044031 9 1    3932 7 1      C-13-H3C(O)CH3
  388495.3969  0.0291 -5.3643 3  942.2776A32  595161404641846 0    641847 0      C-13-H3C(O)CH3
  388495.3969  0.0291 -5.2164 3  942.2776A32  595161404641946 0    641847 0      C-13-H3C(O)CH3
  388495.3969  0.0291 -5.3643 3  942.2776A32  595161404641946 0    641747 0      C-13-H3C(O)CH3
  388495.3969  0.0291 -5.2164 3  942.2776A32  595161404641846 0    641747 0      C-13-H3C(O)CH3
  388525.5549  0.0042 -4.6484 3   80.6493148  5951614041811 8 4    17 8 9 4      C-13-H3C(O)CH3
  388536.0224  0.0028 -3.8282 3  121.9057172 -5951614042116 5 4    2015 5 4      C-13-H3C(O)CH3
  388537.2491  0.0200 -6.2606 3  617.9369388  595161404482523 3    472820 3      C-13-H3C(O)CH3
  388548.3081  0.0203 -6.2606 3  617.9365388  595161404482523 4    472820 4      C-13-H3C(O)CH3
  388557.4681  0.0226 -5.9612 3  617.9511776  595161404482523 1    472820 1      C-13-H3C(O)CH3
  388559.1328  0.0033 -3.9123 3  121.8512172 -5951614042116 5 3    2015 5 3      C-13-H3C(O)CH3
  388567.6298  0.0037 -4.6483 3   80.6491148  5951614041811 8 3    17 8 9 3      C-13-H3C(O)CH3
  388580.0974  0.0504 -4.9777 3  353.3188744  59516140446 145 0    46 146 0      C-13-H3C(O)CH3
  388580.0974  0.0504 -6.6315 3  353.3188744  59516140446 145 0    46 046 0      C-13-H3C(O)CH3
  388580.0974  0.0504 -6.6315 3  353.3188744  59516140446 245 0    46 146 0      C-13-H3C(O)CH3
  388580.0974  0.0504 -4.9777 3  353.3188744  59516140446 245 0    46 046 0      C-13-H3C(O)CH3
  388582.7292  0.0208 -5.9597 3  617.9478776  595161404482523 2    472820 2      C-13-H3C(O)CH3
  388583.5176  0.0345 -4.9897 3  942.2743A32  595161404641946 1    641847 1      C-13-H3C(O)CH3
  388583.5176  0.0345 -4.9897 3  942.2743A32  595161404641846 1    641747 1      C-13-H3C(O)CH3
  388585.9508  0.0358 -4.9845 3  942.2743A32  595161404641946 2    641847 2      C-13-H3C(O)CH3
  388585.9508  0.0358 -4.9845 3  942.2743A32  595161404641846 2    641747 2      C-13-H3C(O)CH3
  388596.0729  0.0205 -5.9614 3  617.9622776  595161404482523 0    472820 0      C-13-H3C(O)CH3
  388609.1699  0.0185 -5.3651 3  470.0363648  595161404403110 2    3932 8 2      C-13-H3C(O)CH3
  388615.2988  0.0124 -4.1248 3  129.6799180  5951614042215 8 4    2114 7 4      C-13-H3C(O)CH3
  388621.7705  0.0082 -5.9285 3  253.1590504  595161404311615 2    311318 2      C-13-H3C(O)CH3
  388628.8493  0.0088 -6.2303 3  253.1418252  595161404311615 3    311318 3      C-13-H3C(O)CH3
  388629.8821  0.0036 -3.9119 3  121.8383172 -5951614042116 6 3    2015 6 3      C-13-H3C(O)CH3
  388630.4826  0.0094 -6.2303 3  253.1418252  595161404311615 4    311318 4      C-13-H3C(O)CH3
  388640.2970  0.0194 -5.3658 3  470.0177648  595161404403110 1    3932 8 1      C-13-H3C(O)CH3
  388654.4068  0.0028 -3.8288 3  121.7837172 -5951614042116 6 4    2015 6 4      C-13-H3C(O)CH3
  388674.1892  0.0291 -5.8645 3  942.2709516  595161404641946 3    641847 3      C-13-H3C(O)CH3
  388674.1892  0.0291 -5.4158 3  942.2709516  595161404641846 3    641847 3      C-13-H3C(O)CH3
  388674.1892  0.0291 -5.8645 3  942.2709516  595161404641846 3    641747 3      C-13-H3C(O)CH3
  388674.1892  0.0291 -5.4158 3  942.2709516  595161404641946 3    641747 3      C-13-H3C(O)CH3
  388674.3688  0.0292 -5.3618 3  942.2709516  595161404641846 4    641847 4      C-13-H3C(O)CH3
  388674.3688  0.0292 -5.3618 3  942.2709516  595161404641946 4    641747 4      C-13-H3C(O)CH3
  388674.3688  0.0292 -6.0665 3  942.2709516  595161404641846 4    641747 4      C-13-H3C(O)CH3
  388674.3688  0.0292 -6.0665 3  942.2709516  595161404641946 4    641847 4      C-13-H3C(O)CH3
  388678.6349  0.0109 -5.7388 3  371.7712600  595161404372216 0    371919 0      C-13-H3C(O)CH3
  388706.2112  0.0210 -5.6666 3  470.0264324  5951614044031 9 3    3932 7 3      C-13-H3C(O)CH3
  388711.1851  0.0194 -5.3658 3  470.0544648  5951614044031 9 2    3932 7 2      C-13-H3C(O)CH3
  388711.6906  0.0073 -5.9273 3  253.1789504  595161404311615 0    311318 0      C-13-H3C(O)CH3
  388718.8393  0.0082 -5.9283 3  253.1618504  595161404311615 1    311318 1      C-13-H3C(O)CH3
  388729.4526  0.0118 -5.7390 3  371.7426600  595161404372216 2    371919 2      C-13-H3C(O)CH3
  388733.1008  0.1947 -6.0858 3  962.9147952  595161404593623 0    593326 0      C-13-H3C(O)CH3
  388733.9441  0.0026 -3.5283 3  121.8783344 -5951614042116 5 1    2015 5 1      C-13-H3C(O)CH3
  388778.2940  0.0115 -5.7389 3  371.7466600  595161404372216 1    371919 1      C-13-H3C(O)CH3
  388789.6180  0.0027 -3.5287 3  121.8791344 -5951614042116 5 2    2015 5 2      C-13-H3C(O)CH3
  388790.1343  0.0034 -4.3470 3   80.6207296  5951614041811 8 1    17 8 9 1      C-13-H3C(O)CH3
  388808.1739  0.0026 -3.5285 3  121.8119344 -5951614042116 6 1    2015 6 1      C-13-H3C(O)CH3
  388808.2023  0.0036 -4.3474 3   80.6177296  5951614041811 8 2    17 8 9 2      C-13-H3C(O)CH3
  388809.5793  0.0232 -5.6673 3  470.0445324  5951614044031 9 4    3932 7 4      C-13-H3C(O)CH3
  388827.3488  0.0120 -6.0400 3  371.7179300  595161404372216 4    371919 4      C-13-H3C(O)CH3
  388830.1562  0.0118 -6.0400 3  371.7179300  595161404372216 3    371919 3      C-13-H3C(O)CH3
  388839.7379  0.1948 -6.5608 3 1805.0248D52  595161404843748 2    843649 2      C-13-H3C(O)CH3
  388839.7379  0.1948 -6.5222 3 1805.0248D52  595161404843648 2    843549 2      C-13-H3C(O)CH3
  388844.0486  0.2160 -6.6010 3 1805.0216D52  595161404843648 1    843649 1      C-13-H3C(O)CH3
  388844.0486  0.2160 -6.4939 3 1805.0216D52  595161404843748 1    843649 1      C-13-H3C(O)CH3
  388847.2627  0.0026 -3.5291 3  121.8233344 -5951614042116 6 2    2015 6 2      C-13-H3C(O)CH3
  388850.6294  0.0026 -3.5250 3  121.8549344 -5951614042116 6 0    2015 5 0      C-13-H3C(O)CH3
  388864.7572  0.0206 -5.6658 3  469.9957324  595161404403110 4    3932 8 4      C-13-H3C(O)CH3
  388882.1061  0.2194 -6.5082 3 1805.0180D52  595161404843648 0    843649 0      C-13-H3C(O)CH3
  388882.1061  0.2194 -6.5082 3 1805.0180D52  595161404843748 0    843549 0      C-13-H3C(O)CH3
  388890.3318  0.6136 -6.6991 3 1654.8611B60  5951614047266 7 0    7265 7 0      C-13-H3C(O)CH3
  388890.3318  0.6136 -6.6991 3 1654.8611B60  5951614047266 6 0    7265 8 0      C-13-H3C(O)CH3
  388891.4174  0.4717 -6.6991 3 1654.8381B60  5951614047266 7 1    7265 8 1      C-13-H3C(O)CH3
  388895.2956  0.0023 -3.7884 3  231.0727260 -59516140432 923 4    311022 4      C-13-H3C(O)CH3
  388895.2956  0.0023 -3.7884 3  231.0727260 -595161404321023 3    31 922 3      C-13-H3C(O)CH3
  388895.2956  0.0023 -3.7884 3  231.0727260 -59516140432 923 3    311022 3      C-13-H3C(O)CH3
  388895.2956  0.0023 -3.7884 3  231.0727260 -595161404321023 4    31 922 4      C-13-H3C(O)CH3
  388943.1927  0.0214 -4.5805 3  121.8383172  5951614042116 5 3    2015 6 3      C-13-H3C(O)CH3
  388947.6734  0.0026 -3.4873 3  231.0831520 -59516140432 923 1    311022 1      C-13-H3C(O)CH3
  388947.6734  0.0026 -3.4873 3  231.0831520 -595161404321023 1    31 922 1      C-13-H3C(O)CH3
  388949.7342  0.0026 -3.4874 3  231.0818520 -59516140432 923 2    311022 2      C-13-H3C(O)CH3
  388949.7342  0.0026 -3.4874 3  231.0818520 -595161404321023 2    31 922 2      C-13-H3C(O)CH3
  388966.4291  0.0207 -5.6665 3  470.0140324  595161404403110 3    3932 8 3      C-13-H3C(O)CH3
  388968.8988  0.0042 -4.6289 3  255.9010324  59516140440 140 4    39 039 4      C-13-H3C(O)CH3
  388968.8988  0.0042 -3.5975 3  255.9010324  59516140440 040 4    39 039 4      C-13-H3C(O)CH3
  388968.9006  0.0042 -3.5975 3  255.9010324 -59516140440 140 4    39 139 4      C-13-H3C(O)CH3
  388968.9006  0.0042 -3.7676 3  255.9010324 -59516140440 040 3    39 139 3      C-13-H3C(O)CH3
  388968.9006  0.0042 -3.9772 3  255.9010324 -59516140440 140 3    39 139 3      C-13-H3C(O)CH3
  388968.9006  0.0042 -4.6289 3  255.9010324 -59516140440 040 4    39 139 4      C-13-H3C(O)CH3
  388968.9056  0.0042 -3.9772 3  255.9010324  59516140440 040 3    39 039 3      C-13-H3C(O)CH3
  388968.9056  0.0042 -3.7676 3  255.9010324  59516140440 140 3    39 039 3      C-13-H3C(O)CH3
  388973.7240  0.0051 -5.6550 3  255.8336648  59516140440 140 1    39 039 1      C-13-H3C(O)CH3
  388973.7240  0.0051 -3.2594 3  255.8336648  59516140440 040 1    39 039 1      C-13-H3C(O)CH3
  388973.8382  0.0051 -5.6550 3  255.8336648 -59516140440 040 1    39 139 1      C-13-H3C(O)CH3
  388973.8382  0.0049 -4.2627 3  255.8332648 -59516140440 040 2    39 039 2      C-13-H3C(O)CH3
  388973.8382  0.0049 -4.2627 3  255.8332648 -59516140440 140 2    39 139 2      C-13-H3C(O)CH3
  388973.8382  0.0051 -3.2594 3  255.8336648 -59516140440 140 1    39 139 1      C-13-H3C(O)CH3
  388973.8695  0.0049 -3.3029 3  255.8332648  59516140440 040 2    39 139 2      C-13-H3C(O)CH3
  388973.8695  0.0049 -3.3029 3  255.8332648  59516140440 140 2    39 039 2      C-13-H3C(O)CH3
  388976.0200  0.4812 -6.6991 3 1654.8535B60  5951614047266 6 1    7265 7 1      C-13-H3C(O)CH3
  388978.6692  0.0042 -4.5665 3  255.7659648  59516140440 140 0    39 139 0      C-13-H3C(O)CH3
  388978.6692  0.0042 -3.2794 3  255.7659648  59516140440 040 0    39 139 0      C-13-H3C(O)CH3
  388978.7493  0.0042 -3.2794 3  255.7659648 -59516140440 140 0    39 039 0      C-13-H3C(O)CH3
  388978.7493  0.0042 -4.5665 3  255.7659648 -59516140440 040 0    39 039 0      C-13-H3C(O)CH3
  388993.1238  0.0077 -4.1689 3  164.7713204  595161404251511 4    241410 4      C-13-H3C(O)CH3
  389001.9426  0.0022 -3.4874 3  231.0922520 -595161404321023 0    31 922 0      C-13-H3C(O)CH3
  389001.9426  0.0022 -3.4874 3  231.0922520 -59516140432 923 0    311022 0      C-13-H3C(O)CH3
  389022.2528  0.0070 -4.1687 3  164.7707204  595161404251511 3    241410 3      C-13-H3C(O)CH3
  389028.6123  0.4723 -6.6990 3 1654.8447B60  5951614047266 6 2    7265 7 2      C-13-H3C(O)CH3
  389049.8510  0.4366 -6.6989 3 1654.8380B60  5951614047266 7 2    7265 8 2      C-13-H3C(O)CH3
  389051.0661  0.0036 -4.3470 3   80.5893296  5951614041811 8 0    17 8 9 0      C-13-H3C(O)CH3
  389111.4103  0.0263 -6.4453 3  903.8644A16  595161404631846 0    631747 0      C-13-H3C(O)CH3
  389111.4103  0.0263 -4.9378 3  903.8644A16  595161404631746 0    631747 0      C-13-H3C(O)CH3
  389111.4103  0.0263 -4.9253 3  903.8644A16  595161404631846 0    631647 0      C-13-H3C(O)CH3
  389136.6119  0.0026 -3.5245 3  121.8481344 -5951614042116 5 0    2015 6 0      C-13-H3C(O)CH3
  389178.6882  0.0065 -3.8677 3  164.7722408 -595161404251511 1    241410 1      C-13-H3C(O)CH3
  389205.3862  0.0312 -5.7367 3  903.8566A16  595161404631846 1    631747 1      C-13-H3C(O)CH3
  389205.3862  0.0312 -4.9864 3  903.8566A16  595161404631746 1    631747 1      C-13-H3C(O)CH3
  389205.3862  0.0312 -5.8016 3  903.8566A16  595161404631746 1    631647 1      C-13-H3C(O)CH3
  389205.3862  0.0312 -4.9972 3  903.8566A16  595161404631846 1    631647 1      C-13-H3C(O)CH3
  389207.2652  0.0320 -5.1443 3  903.8565A16  595161404631846 2    631747 2      C-13-H3C(O)CH3
  389207.2652  0.0320 -5.3257 3  903.8565A16  595161404631846 2    631647 2      C-13-H3C(O)CH3
  389207.2652  0.0320 -5.1443 3  903.8565A16  595161404631746 2    631647 2      C-13-H3C(O)CH3
  389207.2652  0.0320 -5.3257 3  903.8565A16  595161404631746 2    631747 2      C-13-H3C(O)CH3
  389213.9537  0.0680 -6.0904 3 1389.8642604  595161404752947 3    752748 3      C-13-H3C(O)CH3
  389213.9537  0.0680 -6.0904 3 1389.8642604  595161404752847 3    752848 3      C-13-H3C(O)CH3
  389213.9643  0.0680 -6.0812 3 1389.8642604  595161404752947 4    752748 4      C-13-H3C(O)CH3
  389213.9643  0.0680 -6.0812 3 1389.8642604  595161404752847 4    752848 4      C-13-H3C(O)CH3
  389224.9344  0.0670 -5.8658 3 1389.8426C08  595161404752847 1    752748 1      C-13-H3C(O)CH3
  389224.9344  0.0670 -5.8588 3 1389.8426C08  595161404752847 1    752848 1      C-13-H3C(O)CH3
  389224.9344  0.0670 -6.3332 3 1389.8426C08  595161404752947 1    752848 1      C-13-H3C(O)CH3
  389224.9344  0.0670 -6.3131 3 1389.8426C08  595161404752947 1    752748 1      C-13-H3C(O)CH3
  389229.4676  0.0703 -5.8895 3 1389.8447C08  595161404752847 2    752748 2      C-13-H3C(O)CH3
  389229.4676  0.0703 -6.2527 3 1389.8447C08  595161404752947 2    752748 2      C-13-H3C(O)CH3
  389229.4676  0.0703 -5.8895 3 1389.8447C08  595161404752947 2    752848 2      C-13-H3C(O)CH3
  389229.4676  0.0703 -6.2527 3 1389.8447C08  595161404752847 2    752848 2      C-13-H3C(O)CH3
  389240.4763  0.0693 -5.7349 3 1389.8231C08  595161404752947 0    752748 0      C-13-H3C(O)CH3
  389240.4763  0.0693 -5.7471 3 1389.8231C08  595161404752847 0    752848 0      C-13-H3C(O)CH3
  389265.7764  0.0067 -6.4608 3   40.0136216  5951614041310 4 0    12 5 7 0      C-13-H3C(O)CH3
  389281.9976  0.0073 -6.7457 3  111.9790360  59516140422 814 2    22 517 2      C-13-H3C(O)CH3
  389282.4564  0.0073 -6.7457 3  111.9790360  59516140422 914 2    22 617 2      C-13-H3C(O)CH3
  389301.3623  0.0272 -5.3511 3  903.8487508  595161404631846 3    631747 3      C-13-H3C(O)CH3
  389301.3623  0.0272 -5.5877 3  903.8487508  595161404631846 3    631647 3      C-13-H3C(O)CH3
  389301.3623  0.0272 -5.8248 3  903.8487508  595161404631746 3    631747 3      C-13-H3C(O)CH3
  389301.3623  0.0272 -5.4726 3  903.8487508  595161404631746 3    631647 3      C-13-H3C(O)CH3
  389301.5382  0.0273 -5.2319 3  903.8487508  595161404631846 4    631747 4      C-13-H3C(O)CH3
  389301.5382  0.0273 -5.3634 3  903.8487508  595161404631746 4    631747 4      C-13-H3C(O)CH3
  389301.5382  0.0273 -5.7900 3  903.8487508  595161404631746 4    631647 4      C-13-H3C(O)CH3
  389308.6265  0.0073 -6.7455 3  111.9799360  59516140422 814 1    22 517 1      C-13-H3C(O)CH3
  389309.0650  0.0073 -6.7455 3  111.9799360  59516140422 914 1    22 617 1      C-13-H3C(O)CH3
  389320.2340  0.0066 -3.7437 3  129.6679360 -5951614042215 8 1    2114 7 1      C-13-H3C(O)CH3
  389349.2166  0.0055 -4.0020 3  129.6716180  5951614042215 8 3    2114 7 3      C-13-H3C(O)CH3
  389358.8236  0.0469 -6.6323 3  672.2367744  5951614044642 4 1    4543 2 1      C-13-H3C(O)CH3
  389434.8901  0.0061 -3.8673 3  164.7592408 -595161404251511 2    241410 2      C-13-H3C(O)CH3
  389450.4465  0.0189 -6.5413 3  236.0568456  5951614042824 4 1    2821 7 1      C-13-H3C(O)CH3
  389466.2280  0.0090 -6.2289 3  253.1418252  595161404311715 4    311418 4      C-13-H3C(O)CH3
  389466.2646  0.0082 -6.2289 3  253.1418252  595161404311715 3    311418 3      C-13-H3C(O)CH3
  389471.0148  0.0080 -5.9271 3  253.1590504  595161404311715 2    311418 2      C-13-H3C(O)CH3
  389483.2466  0.0495 -6.6331 3  672.2098744  5951614044642 4 2    4543 2 2      C-13-H3C(O)CH3
  389544.7440  0.0080 -5.9269 3  253.1618504  595161404311715 1    311418 1      C-13-H3C(O)CH3
  389549.6107  0.0073 -5.9258 3  253.1790504  595161404311715 0    311418 0      C-13-H3C(O)CH3
  389565.2303  0.0057 -3.7233 3  129.6635360 -5951614042215 8 2    2114 7 2      C-13-H3C(O)CH3
  389599.3273  0.0110 -5.9842 3   58.0353124  5951614041512 4 4    14 9 6 4      C-13-H3C(O)CH3
  389601.0709  0.0062 -3.8673 3  164.7606408 -595161404251511 0    241410 0      C-13-H3C(O)CH3
  389610.5874  0.0056 -4.7645 3   82.7018148  5951614041812 7 4    17 9 8 4      C-13-H3C(O)CH3
  389636.6743  0.0485 -6.6323 3  672.1800744  5951614044642 5 1    4543 3 1      C-13-H3C(O)CH3
  389663.8189  0.0465 -6.6225 3  634.2481364  5951614044540 5 4    4441 3 4      C-13-H3C(O)CH3
  389696.9345  0.0187 -6.5403 3  236.0409456  5951614042824 5 2    2821 8 2      C-13-H3C(O)CH3
  389700.6334  0.0069 -6.7422 3  111.9517360  59516140422 814 0    22 517 0      C-13-H3C(O)CH3
  389701.0903  0.0069 -6.7422 3  111.9517360  59516140422 914 0    22 617 0      C-13-H3C(O)CH3
  389702.9350  0.5379 -6.1811 3 1037.8820984  595161404613922 0    613625 0      C-13-H3C(O)CH3
  389703.9504  0.0233 -5.0310 3  866.0310A00  595161404621646 0    621547 0      C-13-H3C(O)CH3
  389703.9504  0.0233 -5.3768 3  866.0310A00  595161404621646 0    621647 0      C-13-H3C(O)CH3
  389703.9504  0.0233 -5.0310 3  866.0310A00  595161404621746 0    621647 0      C-13-H3C(O)CH3
  389703.9504  0.0233 -5.3768 3  866.0310A00  595161404621746 0    621547 0      C-13-H3C(O)CH3
  389738.1333  0.0397 -6.6310 3  672.1837744  5951614044642 4 0    4543 3 0      C-13-H3C(O)CH3
  389738.1333  0.0397 -6.6310 3  672.1837744  5951614044642 5 0    4543 2 0      C-13-H3C(O)CH3
  389742.9703  0.0346 -6.3199 3  634.2332728  5951614044540 5 1    4441 3 1      C-13-H3C(O)CH3
  389781.6971  0.0179 -6.5446 3  236.0634456  5951614042824 4 2    2821 7 2      C-13-H3C(O)CH3
  389801.0794  0.0278 -5.0905 3  866.0187A00  595161404621746 1    621647 1      C-13-H3C(O)CH3
  389801.0794  0.0278 -5.2676 3  866.0187A00  595161404621746 1    621547 1      C-13-H3C(O)CH3
  389801.0794  0.0278 -5.2676 3  866.0187A00  595161404621646 1    621647 1      C-13-H3C(O)CH3
  389801.0794  0.0278 -5.0905 3  866.0187A00  595161404621646 1    621547 1      C-13-H3C(O)CH3
  389802.4333  0.0282 -5.2125 3  866.0185A00  595161404621646 2    621647 2      C-13-H3C(O)CH3
  389802.4333  0.0282 -5.1314 3  866.0185A00  595161404621646 2    621547 2      C-13-H3C(O)CH3
  389802.4333  0.0282 -5.2125 3  866.0185A00  595161404621746 2    621547 2      C-13-H3C(O)CH3
  389802.4333  0.0282 -5.1314 3  866.0185A00  595161404621746 2    621647 2      C-13-H3C(O)CH3
  389854.4404  0.0187 -6.5382 3  236.0245456  5951614042824 5 1    2821 8 1      C-13-H3C(O)CH3
  389874.4799  0.4935 -6.6921 3 1621.1711B44  5951614047166 6 1    7165 7 1      C-13-H3C(O)CH3
  389889.2966  0.0023 -3.7699 3  237.4588268 -59516140433 925 3    32 824 3      C-13-H3C(O)CH3
  389889.2966  0.0023 -3.7699 3  237.4588268 -59516140433 825 3    32 924 3      C-13-H3C(O)CH3
  389889.2966  0.0024 -3.7753 3  237.4589268 -59516140433 925 4    32 824 4      C-13-H3C(O)CH3
  389889.2966  0.0024 -3.7751 3  237.4589268 -59516140433 825 4    32 924 4      C-13-H3C(O)CH3
  389889.3334  0.0024 -5.1119 3  237.4589268  59516140433 825 4    32 824 4      C-13-H3C(O)CH3
  389889.3334  0.0024 -5.1175 3  237.4589268  59516140433 925 4    32 924 4      C-13-H3C(O)CH3
  389889.3975  0.0023 -5.2499 3  237.4588268  59516140433 925 3    32 924 3      C-13-H3C(O)CH3
  389889.3975  0.0023 -5.2499 3  237.4588268  59516140433 825 3    32 824 3      C-13-H3C(O)CH3
  389899.6847  0.0254 -5.3897 3  866.0062500  595161404621746 3    621547 3      C-13-H3C(O)CH3
  389899.6847  0.0254 -5.5705 3  866.0062500  595161404621646 3    621547 3      C-13-H3C(O)CH3
  389899.6847  0.0254 -5.3897 3  866.0062500  595161404621646 3    621647 3      C-13-H3C(O)CH3
  389899.6847  0.0254 -5.5705 3  866.0062500  595161404621746 3    621647 3      C-13-H3C(O)CH3
  389899.8476  0.0255 -5.4978 3  866.0061500  595161404621646 4    621647 4      C-13-H3C(O)CH3
  389899.8476  0.0255 -5.4453 3  866.0061500  595161404621746 4    621647 4      C-13-H3C(O)CH3
  389899.8476  0.0255 -5.2008 3  866.0061500  595161404621746 4    621547 4      C-13-H3C(O)CH3
  389899.8476  0.0255 -6.3305 3  866.0061500  595161404621646 4    621547 4      C-13-H3C(O)CH3
  389906.1612  0.0056 -4.7538 3   82.7010148  5951614041812 7 3    17 9 8 3      C-13-H3C(O)CH3
  389915.2015  0.6370 -6.6921 3 1621.1930B44  5951614047166 5 0    7165 7 0      C-13-H3C(O)CH3
  389915.2015  0.6370 -6.6921 3 1621.1930B44  5951614047166 6 0    7165 6 0      C-13-H3C(O)CH3
  389926.3747  0.0034 -3.6942 3  129.6556360 -5951614042215 8 0    2114 7 0      C-13-H3C(O)CH3
  389939.8505  0.0027 -3.6398 3  237.4671536 -59516140433 925 1    32 824 1      C-13-H3C(O)CH3
  389939.8505  0.0027 -3.6398 3  237.4671536 -59516140433 825 1    32 924 1      C-13-H3C(O)CH3
  389939.8535  0.0027 -3.9144 3  237.4671536  59516140433 825 1    32 824 1      C-13-H3C(O)CH3
  389939.8535  0.0027 -3.9144 3  237.4671536  59516140433 925 1    32 924 1      C-13-H3C(O)CH3
  389941.2142  0.0026 -5.8448 3  237.4661536  59516140433 825 2    32 824 2      C-13-H3C(O)CH3
  389941.2142  0.0026 -4.9381 3  237.4661536  59516140433 925 2    32 924 2      C-13-H3C(O)CH3
  389941.3091  0.0026 -3.4565 3  237.4661536 -59516140433 925 2    32 824 2      C-13-H3C(O)CH3
  389941.3091  0.0026 -3.4692 3  237.4661536 -59516140433 825 2    32 924 2      C-13-H3C(O)CH3
  389965.5866  0.0352 -6.3202 3  634.2082728  5951614044540 5 2    4441 3 2      C-13-H3C(O)CH3
  389986.6422  0.0441 -6.6222 3  634.1915364  5951614044540 6 3    4441 4 3      C-13-H3C(O)CH3
  389991.5671  0.0023 -5.6879 3  237.4743536  59516140433 925 0    32 924 0      C-13-H3C(O)CH3
  389991.5671  0.0023 -5.6879 3  237.4743536  59516140433 825 0    32 824 0      C-13-H3C(O)CH3
  389991.5968  0.0023 -3.4572 3  237.4743536 -59516140433 825 0    32 924 0      C-13-H3C(O)CH3
  389991.5968  0.0023 -3.4572 3  237.4743536 -59516140433 925 0    32 824 0      C-13-H3C(O)CH3
  389994.0504  0.5000 -6.6921 3 1621.1918B44  5951614047166 5 1    7165 6 1      C-13-H3C(O)CH3
  390026.1402  0.0481 -6.6315 3  672.1588744  5951614044642 5 2    4543 3 2      C-13-H3C(O)CH3
  390044.2974  0.0315 -6.3186 3  634.1931728  5951614044540 5 0    4441 3 0      C-13-H3C(O)CH3
  390044.2974  0.0315 -6.3186 3  634.1931728  5951614044540 6 0    4441 4 0      C-13-H3C(O)CH3
  390064.3379  0.0377 -6.3195 3  634.1765728  5951614044540 6 1    4441 4 1      C-13-H3C(O)CH3
  390064.8768  0.4555 -6.6919 3 1621.1753B44  5951614047166 6 2    7165 7 2      C-13-H3C(O)CH3
  390094.7109  0.4931 -6.6919 3 1621.1835B44  5951614047166 5 2    7165 6 2      C-13-H3C(O)CH3
  390124.1573  0.0438 -6.6209 3  634.2059364  5951614044540 5 3    4441 3 3      C-13-H3C(O)CH3
  390130.8124  0.1744 -6.4806 3 1755.1725D36  595161404833648 2    833449 2      C-13-H3C(O)CH3
  390130.8124  0.1744 -6.4806 3 1755.1725D36  595161404833548 2    833549 2      C-13-H3C(O)CH3
  390133.7973  0.1923 -6.4224 3 1755.1692D36  595161404833548 1    833549 1      C-13-H3C(O)CH3
  390133.7973  0.1923 -6.4224 3 1755.1692D36  595161404833648 1    833449 1      C-13-H3C(O)CH3
  390137.9648  0.0053 -4.4571 3   82.6732296  5951614041812 7 1    17 9 8 1      C-13-H3C(O)CH3
  390163.8758  0.0619 -6.3289 3 1345.1100596  595161404742747 3    742648 3      C-13-H3C(O)CH3
  390163.8758  0.0619 -6.1917 3 1345.1100596  595161404742747 3    742748 3      C-13-H3C(O)CH3
  390163.8758  0.0619 -6.1178 3 1345.1100596  595161404742847 3    742748 3      C-13-H3C(O)CH3
  390163.8758  0.0619 -6.4564 3 1345.1100596  595161404742847 3    742648 3      C-13-H3C(O)CH3
  390163.9049  0.0619 -6.3110 3 1345.1100596  595161404742847 4    742748 4      C-13-H3C(O)CH3
  390163.9049  0.0619 -6.2052 3 1345.1100596  595161404742747 4    742748 4      C-13-H3C(O)CH3
  390163.9049  0.0619 -6.2052 3 1345.1100596  595161404742847 4    742648 4      C-13-H3C(O)CH3
  390163.9049  0.0619 -6.3110 3 1345.1100596  595161404742747 4    742648 4      C-13-H3C(O)CH3
  390166.2113  0.0602 -5.6717 3 1345.0884B92  595161404742747 1    742748 1      C-13-H3C(O)CH3
  390166.2113  0.0602 -5.6717 3 1345.0884B92  595161404742847 1    742648 1      C-13-H3C(O)CH3
  390171.1583  0.0648 -6.6094 3 1345.0902B92  595161404742847 2    742648 2      C-13-H3C(O)CH3
  390171.1583  0.0648 -5.7037 3 1345.0902B92  595161404742747 2    742648 2      C-13-H3C(O)CH3
  390171.1583  0.0648 -5.7037 3 1345.0902B92  595161404742847 2    742748 2      C-13-H3C(O)CH3
  390171.1583  0.0648 -6.6094 3 1345.0902B92  595161404742747 2    742748 2      C-13-H3C(O)CH3
  390173.4497  0.1959 -6.4345 3 1755.1630D36  595161404833648 0    833549 0      C-13-H3C(O)CH3
  390173.4497  0.1959 -6.4345 3 1755.1630D36  595161404833548 0    833449 0      C-13-H3C(O)CH3
  390173.5324  0.0613 -5.6617 3 1345.0687B92  595161404742747 0    742748 0      C-13-H3C(O)CH3
  390173.5324  0.0613 -5.6683 3 1345.0687B92  595161404742847 0    742648 0      C-13-H3C(O)CH3
  390174.0019  0.0243 -6.1567 3  694.6483824  595161404512625 0    502922 0      C-13-H3C(O)CH3
  390198.2635  0.4388 -6.1235 3  972.3434952  595161404593821 0    593524 0      C-13-H3C(O)CH3
  390200.9363  0.0276 -6.1558 3  694.6409824  595161404512625 1    502922 1      C-13-H3C(O)CH3
  390231.9528  0.0197 -6.5421 3  236.0754456  5951614042824 4 0    2821 7 0      C-13-H3C(O)CH3
  390238.9259  0.0288 -6.1545 3  694.6383824  595161404512625 2    502922 2      C-13-H3C(O)CH3
  390254.6751  0.0197 -6.5421 3  236.0746456  5951614042824 5 0    2821 8 0      C-13-H3C(O)CH3
  390262.7944  0.0307 -6.4548 3  694.6310412  595161404512625 3    502922 3      C-13-H3C(O)CH3
  390266.7299  0.0310 -6.4548 3  694.6308412  595161404512625 4    502922 4      C-13-H3C(O)CH3
  390274.8955  0.0204 -4.8415 3  828.7782984  595161404611546 0    611547 0      C-13-H3C(O)CH3
  390274.8955  0.0204 -4.8415 3  828.7782984  595161404611646 0    611447 0      C-13-H3C(O)CH3
  390274.8955  0.0204 -6.0715 3  828.7782984  595161404611646 0    611547 0      C-13-H3C(O)CH3
  390274.8955  0.0204 -6.0715 3  828.7782984  595161404611546 0    611447 0      C-13-H3C(O)CH3
  390313.5585  0.0265 -6.3212 3  387.5494600  595161404372612 1    3627 9 1      C-13-H3C(O)CH3
  390324.4921  0.0056 -4.4581 3   82.6675296  5951614041812 7 2    17 9 8 2      C-13-H3C(O)CH3
  390340.4552  0.0131 -4.9674 3  387.5752600  595161404372612 0    3627 9 0      C-13-H3C(O)CH3
  390342.6898  0.0143 -4.9702 3  387.5532600  595161404372612 2    362710 2      C-13-H3C(O)CH3
  390371.8221  0.0244 -4.9409 3  828.7614984  595161404611546 1    611547 1      C-13-H3C(O)CH3
  390371.8221  0.0244 -5.4195 3  828.7614984  595161404611546 1    611447 1      C-13-H3C(O)CH3
  390371.8221  0.0244 -5.4195 3  828.7614984  595161404611646 1    611547 1      C-13-H3C(O)CH3
  390371.8221  0.0244 -4.9409 3  828.7614984  595161404611646 1    611447 1      C-13-H3C(O)CH3
  390372.7009  0.0245 -5.6287 3  828.7612984  595161404611546 2    611447 2      C-13-H3C(O)CH3
  390372.7009  0.0245 -4.8890 3  828.7612984  595161404611646 2    611447 2      C-13-H3C(O)CH3
  390372.7009  0.0245 -4.8890 3  828.7612984  595161404611546 2    611547 2      C-13-H3C(O)CH3
  390372.7009  0.0245 -5.6287 3  828.7612984  595161404611646 2    611547 2      C-13-H3C(O)CH3
  390423.7606  0.0364 -6.3185 3  634.1659728  5951614044540 6 2    4441 4 2      C-13-H3C(O)CH3
  390443.7450  0.0478 -6.6205 3  634.1493364  5951614044540 6 4    4441 4 4      C-13-H3C(O)CH3
  390463.8343  0.0172 -5.6376 3  121.8233344  5951614042116 5 2    2015 6 2      C-13-H3C(O)CH3
  390468.5416  0.0131 -4.9670 3  387.5751600  595161404372611 0    362710 0      C-13-H3C(O)CH3
  390469.7480  0.0238 -5.1195 3  828.7444492  595161404611546 3    611447 3      C-13-H3C(O)CH3
  390469.7480  0.0238 -5.1195 3  828.7444492  595161404611646 3    611547 3      C-13-H3C(O)CH3
  390469.8871  0.0238 -6.4670 3  828.7444492  595161404611646 4    611547 4      C-13-H3C(O)CH3
  390469.8871  0.0238 -5.1369 3  828.7444492  595161404611546 4    611547 4      C-13-H3C(O)CH3
  390469.8871  0.0238 -5.1171 3  828.7444492  595161404611546 4    611447 4      C-13-H3C(O)CH3
  390497.5805  0.0332 -6.3591 3  775.6099872  595161404542727 0    533024 0      C-13-H3C(O)CH3
  390502.2971  0.0270 -6.0547 3  597.5318712  5951614044438 6 1    4339 4 1      C-13-H3C(O)CH3
  390537.9485  0.0166 -5.2690 3  387.5181300  595161404372612 4    362710 4      C-13-H3C(O)CH3
  390547.4514  0.0155 -5.2781 3  387.5272300  595161404372612 3    362710 3      C-13-H3C(O)CH3
  390557.0363  0.0365 -6.3579 3  775.6074872  595161404542727 1    533024 1      C-13-H3C(O)CH3
  390579.9485  0.0335 -6.3569 3  597.5391356  5951614044438 6 4    4339 4 4      C-13-H3C(O)CH3
  390583.0322  0.0139 -4.9864 3  387.5404600  595161404372612 1    362710 1      C-13-H3C(O)CH3
  390583.7523  0.0412 -6.3570 3  775.6062872  595161404542727 2    533024 2      C-13-H3C(O)CH3
  390627.5227  0.0137 -4.9868 3  387.5494600  595161404372611 1    3627 9 1      C-13-H3C(O)CH3
  390631.5572  0.0137 -4.9701 3  387.5674600  595161404372611 2    3627 9 2      C-13-H3C(O)CH3
  390642.0766  0.0439 -6.6568 3  775.6037436  595161404542727 3    533024 3      C-13-H3C(O)CH3
  390643.3635  0.0441 -6.6568 3  775.6037436  595161404542727 4    533024 4      C-13-H3C(O)CH3
  390705.8489  0.0046 -4.4565 3   82.6395296  5951614041812 7 0    17 9 8 0      C-13-H3C(O)CH3
  390707.5735  0.0263 -6.0535 3  597.5046712  5951614044438 7 0    4339 4 0      C-13-H3C(O)CH3
  390707.5735  0.0263 -6.0535 3  597.5046712  5951614044438 6 0    4339 5 0      C-13-H3C(O)CH3
  390724.6702  0.0169 -5.7732 3  121.8119344  5951614042116 5 1    2015 6 1      C-13-H3C(O)CH3
  390768.9302  0.6337 -6.2493 3 1105.5066A16  595161404634023 0    633726 0      C-13-H3C(O)CH3
  390784.4206  0.0275 -6.0546 3  597.5120712  5951614044438 6 2    4339 4 2      C-13-H3C(O)CH3
  390808.4777  0.5190 -6.6984 3 1587.9961B28  5951614047066 5 1    7065 6 1      C-13-H3C(O)CH3
  390826.1437  0.0147 -5.2774 3  387.5324300  595161404372611 3    3627 9 3      C-13-H3C(O)CH3
  390826.1465  0.0176 -4.7687 3  792.1067968  595161404601446 0    601447 0      C-13-H3C(O)CH3
  390826.1465  0.0176 -4.7687 3  792.1067968  595161404601546 0    601347 0      C-13-H3C(O)CH3
  390829.4787  0.0312 -6.0541 3  597.4783712  5951614044438 7 1    4339 5 1      C-13-H3C(O)CH3
  390835.4927  0.0146 -5.2694 3  387.5414300  595161404372611 4    3627 9 4      C-13-H3C(O)CH3
  390870.3827  0.0031 -4.0812 3  190.1371220  595161404271513 4    261412 4      C-13-H3C(O)CH3
  390880.2602  0.0040 -4.0812 3  190.1367220  595161404271513 3    261412 3      C-13-H3C(O)CH3
  390894.5862  0.6670 -6.6983 3 1588.0174B28  5951614047066 4 0    7065 6 0      C-13-H3C(O)CH3
  390894.5862  0.6670 -6.6983 3 1588.0174B28  5951614047066 5 0    7065 5 0      C-13-H3C(O)CH3
  390896.9964  0.0246 -6.3192 3  387.5404600  595161404372611 1    362710 1      C-13-H3C(O)CH3
  390907.2887  0.0348 -6.3562 3  597.4857356  5951614044438 7 3    4339 5 3      C-13-H3C(O)CH3
  390918.3447  0.0129 -6.6069 3   46.7823216  5951614041313 1 1    1210 3 1      C-13-H3C(O)CH3
  390918.8145  0.0215 -5.0738 3  792.0858968  595161404601446 1    601447 1      C-13-H3C(O)CH3
  390918.8145  0.0215 -5.0738 3  792.0858968  595161404601546 1    601347 1      C-13-H3C(O)CH3
  390918.8145  0.0215 -5.0619 3  792.0858968  595161404601546 1    601447 1      C-13-H3C(O)CH3
  390918.8145  0.0215 -5.0619 3  792.0858968  595161404601446 1    601347 1      C-13-H3C(O)CH3
  390919.2858  0.0213 -6.6756 3  792.0855968  595161404601546 2    601447 2      C-13-H3C(O)CH3
  390919.2858  0.0213 -4.7722 3  792.0855968  595161404601546 2    601347 2      C-13-H3C(O)CH3
  390919.2858  0.0213 -6.6756 3  792.0855968  595161404601446 2    601347 2      C-13-H3C(O)CH3
  390919.2858  0.0213 -4.7722 3  792.0855968  595161404601446 2    601447 2      C-13-H3C(O)CH3
  390920.5238  0.0336 -6.3552 3  597.5051356  5951614044438 6 3    4339 4 3      C-13-H3C(O)CH3
  390922.1761  0.0024 -4.1856 3  243.2901276  59516140434 727 4    33 826 4      C-13-H3C(O)CH3
  390922.1761  0.0024 -3.9111 3  243.2901276  59516140434 827 4    33 826 4      C-13-H3C(O)CH3
  390922.1887  0.0024 -4.1856 3  243.2901276 -59516140434 827 4    33 726 4      C-13-H3C(O)CH3
  390922.1887  0.0024 -4.8175 3  243.2901276 -59516140434 827 3    33 726 3      C-13-H3C(O)CH3
  390922.1887  0.0024 -3.9111 3  243.2901276 -59516140434 727 4    33 726 4      C-13-H3C(O)CH3
  390922.1887  0.0024 -3.7627 3  243.2901276 -59516140434 727 3    33 726 3      C-13-H3C(O)CH3
  390922.2275  0.0024 -3.7627 3  243.2901276  59516140434 827 3    33 826 3      C-13-H3C(O)CH3
  390922.2275  0.0024 -4.8175 3  243.2901276  59516140434 727 3    33 826 3      C-13-H3C(O)CH3
  390961.2000  0.5246 -6.6983 3 1588.0228B28  5951614047066 4 1    7065 5 1      C-13-H3C(O)CH3
  390963.2129  0.0035 -3.7803 3  190.1465440 -595161404271513 1    261412 1      C-13-H3C(O)CH3
  390971.0254  0.0028 -3.5133 3  243.2953552  59516140434 827 1    33 826 1      C-13-H3C(O)CH3
  390971.0254  0.0028 -3.5133 3  243.2953552  59516140434 727 1    33 726 1      C-13-H3C(O)CH3
  390971.1318  0.0028 -4.1600 3  243.2953552 -59516140434 827 1    33 726 1      C-13-H3C(O)CH3
  390971.1318  0.0028 -4.1600 3  243.2953552 -59516140434 727 1    33 826 1      C-13-H3C(O)CH3
  390971.9192  0.0027 -4.6437 3  243.2944552 -59516140434 727 2    33 726 2      C-13-H3C(O)CH3
  390971.9192  0.0027 -3.4520 3  243.2944552 -59516140434 827 2    33 726 2      C-13-H3C(O)CH3
  390971.9713  0.0027 -4.6437 3  243.2944552  59516140434 827 2    33 826 2      C-13-H3C(O)CH3
  390971.9713  0.0027 -3.4520 3  243.2944552  59516140434 727 2    33 826 2      C-13-H3C(O)CH3
  391012.0686  0.0222 -5.0987 3  792.0645484  595161404601546 3    601447 3      C-13-H3C(O)CH3
  391012.0686  0.0222 -5.0693 3  792.0645484  595161404601446 3    601347 3      C-13-H3C(O)CH3
  391012.0686  0.0222 -6.2272 3  792.0645484  595161404601546 3    601347 3      C-13-H3C(O)CH3
  391012.1716  0.0222 -5.3605 3  792.0645484  595161404601546 4    601347 4      C-13-H3C(O)CH3
  391012.1716  0.0222 -5.3768 3  792.0645484  595161404601446 4    601347 4      C-13-H3C(O)CH3
  391012.1716  0.0222 -5.3605 3  792.0645484  595161404601446 4    601447 4      C-13-H3C(O)CH3
  391012.1716  0.0222 -5.3768 3  792.0645484  595161404601546 4    601447 4      C-13-H3C(O)CH3
  391017.6338  0.0119 -6.6089 3   46.7903216  5951614041313 1 2    1210 3 2      C-13-H3C(O)CH3
  391020.6683  0.0023 -4.1862 3  243.2996552 -59516140434 727 0    33 826 0      C-13-H3C(O)CH3
  391020.6683  0.0023 -4.1862 3  243.2996552 -59516140434 827 0    33 726 0      C-13-H3C(O)CH3
  391020.6696  0.0023 -3.5075 3  243.2996552  59516140434 727 0    33 726 0      C-13-H3C(O)CH3
  391020.6696  0.0023 -3.5075 3  243.2996552  59516140434 827 0    33 826 0      C-13-H3C(O)CH3
  391026.1354  0.4777 -6.6982 3 1588.0055B28  5951614047066 5 2    7065 6 2      C-13-H3C(O)CH3
  391036.9576  0.7268 -6.1886 3 1037.8680984  595161404613922 2    613625 2      C-13-H3C(O)CH3
  391050.1024  0.0469 -6.5637 3  860.7990920  595161404572829 0    563126 0      C-13-H3C(O)CH3
  391063.4214  0.0034 -3.7807 3  190.1382440 -595161404271513 2    261412 2      C-13-H3C(O)CH3
  391066.4498  0.0553 -5.6634 3 1300.8833B76  595161404732647 0    732548 0      C-13-H3C(O)CH3
  391066.4498  0.0553 -5.6557 3 1300.8833B76  595161404732747 0    732648 0      C-13-H3C(O)CH3
  391066.4498  0.0553 -6.3054 3 1300.8833B76  595161404732647 0    732648 0      C-13-H3C(O)CH3
  391066.4498  0.0553 -6.3411 3 1300.8833B76  595161404732747 0    732548 0      C-13-H3C(O)CH3
  391067.7547  0.0094 -5.7277 3   58.0009248  5951614041512 4 1    14 9 6 1      C-13-H3C(O)CH3
  391068.4374  0.0558 -5.5761 3 1300.9027B76  595161404732747 1    732648 1      C-13-H3C(O)CH3
  391068.4374  0.0558 -6.4005 3 1300.9027B76  595161404732747 1    732548 1      C-13-H3C(O)CH3
  391068.4374  0.0558 -5.6444 3 1300.9027B76  595161404732647 1    732548 1      C-13-H3C(O)CH3
  391073.6316  0.0611 -5.7572 3 1300.9043B76  595161404732647 2    732648 2      C-13-H3C(O)CH3
  391073.6316  0.0611 -6.0379 3 1300.9043B76  595161404732647 2    732548 2      C-13-H3C(O)CH3
  391073.6316  0.0611 -6.0379 3 1300.9043B76  595161404732747 2    732648 2      C-13-H3C(O)CH3
  391073.6316  0.0611 -5.7572 3 1300.9043B76  595161404732747 2    732548 2      C-13-H3C(O)CH3
  391075.6684  0.0567 -5.8802 3 1300.9238588  595161404732747 3    732648 3      C-13-H3C(O)CH3
  391075.6684  0.0567 -5.8802 3 1300.9238588  595161404732647 3    732548 3      C-13-H3C(O)CH3
  391075.7170  0.0567 -5.9150 3 1300.9238588  595161404732747 4    732548 4      C-13-H3C(O)CH3
  391075.7170  0.0567 -6.0622 3 1300.9238588  595161404732647 4    732548 4      C-13-H3C(O)CH3
  391075.7170  0.0567 -6.3316 3 1300.9238588  595161404732647 4    732648 4      C-13-H3C(O)CH3
  391115.3401  0.5186 -6.6981 3 1588.0161B28  5951614047066 4 2    7065 5 2      C-13-H3C(O)CH3
  391118.7747  0.0494 -6.5623 3  860.8019920  595161404572829 1    563126 1      C-13-H3C(O)CH3
  391124.4032  0.0294 -6.0530 3  597.4779712  5951614044438 7 2    4339 5 2      C-13-H3C(O)CH3
  391130.5756  0.0556 -6.5616 3  860.8020920  595161404572829 2    563126 2      C-13-H3C(O)CH3
  391149.3243  0.0032 -3.7808 3  190.1480440 -595161404271513 0    261412 0      C-13-H3C(O)CH3
  391194.4942  0.5124 -6.1890 3 1037.8634984  595161404613922 1    613625 1      C-13-H3C(O)CH3
  391245.2977  0.0392 -6.3546 3  597.4516356  5951614044438 7 4    4339 5 4      C-13-H3C(O)CH3
  391261.9179  0.0118 -6.6135 3   46.8570216  5951614041313 0 1    1210 2 1      C-13-H3C(O)CH3
  391328.4928  0.1364 -6.6250 3 1705.8863660  595161404823548 4    823349 4      C-13-H3C(O)CH3
  391328.4928  0.1364 -6.6250 3 1705.8863660  595161404823448 4    823449 4      C-13-H3C(O)CH3
  391328.5621  0.1364 -6.7007 3 1705.8863660  595161404823448 3    823349 3      C-13-H3C(O)CH3
  391328.5621  0.1364 -6.7007 3 1705.8863660  595161404823548 3    823449 3      C-13-H3C(O)CH3
  391332.9216  0.0226 -5.7248 3  541.3832712  595161404442916 0    442619 0      C-13-H3C(O)CH3
  391359.6246  0.0150 -4.8891 3  756.0172952  595161404591346 0    591347 0      C-13-H3C(O)CH3
  391359.6246  0.0150 -5.2142 3  756.0172952  595161404591346 0    591247 0      C-13-H3C(O)CH3
  391359.6246  0.0150 -5.2142 3  756.0172952  595161404591446 0    591347 0      C-13-H3C(O)CH3
  391359.6246  0.0150 -4.8891 3  756.0172952  595161404591446 0    591247 0      C-13-H3C(O)CH3
  391368.8834  0.1551 -6.4186 3 1705.8776D20  595161404823548 2    823449 2      C-13-H3C(O)CH3
  391368.8834  0.1551 -6.4186 3 1705.8776D20  595161404823448 2    823349 2      C-13-H3C(O)CH3
  391370.5388  0.1696 -6.3103 3 1705.8743D20  595161404823448 1    823349 1      C-13-H3C(O)CH3
  391370.5388  0.1696 -6.3103 3 1705.8743D20  595161404823548 1    823449 1      C-13-H3C(O)CH3
  391371.9712  0.0474 -6.5629 3  860.7883920  595161404572929 0    563026 0      C-13-H3C(O)CH3
  391372.3193  0.0198 -4.9399 3  339.4542568  595161404352313 2    342410 2      C-13-H3C(O)CH3
  391377.7168  0.0097 -5.7378 3   58.0002248  5951614041512 4 2    14 9 6 2      C-13-H3C(O)CH3
  391410.8156  0.1734 -6.4581 3 1705.8657D20  595161404823448 0    823449 0      C-13-H3C(O)CH3
  391410.8156  0.1734 -6.4581 3 1705.8657D20  595161404823548 0    823349 0      C-13-H3C(O)CH3
  391443.2340  0.0190 -5.4613 3  755.9926952  595161404591346 1    591247 1      C-13-H3C(O)CH3
  391443.2340  0.0190 -4.8077 3  755.9926952  595161404591346 1    591347 1      C-13-H3C(O)CH3
  391443.2340  0.0190 -5.4613 3  755.9926952  595161404591446 1    591347 1      C-13-H3C(O)CH3
  391443.2340  0.0190 -4.8077 3  755.9926952  595161404591446 1    591247 1      C-13-H3C(O)CH3
  391443.3787  0.0187 -5.1522 3  755.9923952  595161404591446 2    591247 2      C-13-H3C(O)CH3
  391443.3787  0.0187 -4.9214 3  755.9923952  595161404591446 2    591347 2      C-13-H3C(O)CH3
  391443.3787  0.0187 -5.1522 3  755.9923952  595161404591346 2    591347 2      C-13-H3C(O)CH3
  391443.3787  0.0187 -4.9214 3  755.9923952  595161404591346 2    591247 2      C-13-H3C(O)CH3
  391459.3090  0.0493 -6.5614 3  860.7906920  595161404572929 1    563026 1      C-13-H3C(O)CH3
  391470.4496  0.0600 -6.5608 3  860.7907920  595161404572929 2    563026 2      C-13-H3C(O)CH3
  391503.0954  0.0226 -5.2749 3  339.4273284  595161404352313 3    342410 3      C-13-H3C(O)CH3
  391503.9039  0.0117 -6.6155 3   46.8580216  5951614041313 0 2    1210 2 2      C-13-H3C(O)CH3
  391511.8819  0.0105 -6.2676 3   58.0389124  5951614041512 4 3    14 9 6 3      C-13-H3C(O)CH3
  391527.0925  0.0207 -5.0925 3  755.9676476  595161404591346 3    591347 3      C-13-H3C(O)CH3
  391527.0925  0.0207 -5.8422 3  755.9676476  595161404591346 3    591247 3      C-13-H3C(O)CH3
  391527.0925  0.0207 -5.0925 3  755.9676476  595161404591446 3    591247 3      C-13-H3C(O)CH3
  391527.0925  0.0207 -5.8422 3  755.9676476  595161404591446 3    591347 3      C-13-H3C(O)CH3
  391527.1461  0.0207 -6.0460 3  755.9676476  595161404591346 4    591247 4      C-13-H3C(O)CH3
  391527.1461  0.0207 -5.0645 3  755.9676476  595161404591446 4    591247 4      C-13-H3C(O)CH3
  391527.1461  0.0207 -6.0460 3  755.9676476  595161404591446 4    591347 4      C-13-H3C(O)CH3
  391527.1461  0.0207 -5.0645 3  755.9676476  595161404591346 4    591347 4      C-13-H3C(O)CH3
  391541.4362  0.0207 -5.7446 3  541.3669712  595161404442916 1    442619 1      C-13-H3C(O)CH3
  391542.3466  0.0092 -4.7637 3  339.4689568  595161404352313 0    342410 0      C-13-H3C(O)CH3
  391602.4857  0.0221 -5.1816 3  339.4239284  595161404352313 4    342410 4      C-13-H3C(O)CH3
  391696.7932  0.5480 -6.7235 3 1555.3119B12  5951614046966 4 1    6965 5 1      C-13-H3C(O)CH3
  391703.9581  0.0102 -4.8026 3  339.4411568  595161404352313 1    342410 1      C-13-H3C(O)CH3
  391709.4762  0.0236 -5.8208 3  562.1415696  5951614044336 7 1    4237 5 1      C-13-H3C(O)CH3
  391718.0530  0.0291 -6.1082 3  541.3461356  595161404442916 4    442619 4      C-13-H3C(O)CH3
  391730.1665  0.0286 -5.7669 3  541.3625712  595161404442916 2    442619 2      C-13-H3C(O)CH3
  391731.3597  0.0144 -5.2393 3  339.4422568  595161404352313 2    342411 2      C-13-H3C(O)CH3
  391748.1245  0.6328 -6.1390 3  972.3252952  595161404593821 2    593524 2      C-13-H3C(O)CH3
  391759.6312  0.4231 -6.1372 3  972.3235952  595161404593821 1    593524 1      C-13-H3C(O)CH3
  391780.6795  0.0102 -5.9108 3   58.0389124  5951614041512 3 3    14 9 6 3      C-13-H3C(O)CH3
  391812.4765  0.0238 -5.8198 3  562.1263696  5951614044336 7 0    4237 6 0      C-13-H3C(O)CH3
  391812.4765  0.0238 -5.8198 3  562.1263696  5951614044336 8 0    4237 5 0      C-13-H3C(O)CH3
  391831.3728  0.7027 -6.7233 3 1555.3333B12  5951614046966 4 0    6965 4 0      C-13-H3C(O)CH3
  391831.3728  0.7027 -6.7233 3 1555.3333B12  5951614046966 3 0    6965 5 0      C-13-H3C(O)CH3
  391838.2458  0.3438 -6.0744 3  908.9026920  595161404573720 0    573423 0      C-13-H3C(O)CH3
  391851.7950  0.0361 -6.3557 3  775.5649872  595161404542827 0    532924 0      C-13-H3C(O)CH3
  391864.3276  0.0154 -5.6888 3  339.4152284  595161404352313 4    342411 4      C-13-H3C(O)CH3
  391868.2600  0.8067 -6.2533 3 1105.4971A16  595161404634023 2    633726 2      C-13-H3C(O)CH3
  391877.2686  0.0129 -5.9386 3  720.5104936  595161404581246 0    581147 0      C-13-H3C(O)CH3
  391877.2686  0.0129 -4.7030 3  720.5104936  595161404581246 0    581247 0      C-13-H3C(O)CH3
  391877.2686  0.0129 -4.7030 3  720.5104936  595161404581346 0    581147 0      C-13-H3C(O)CH3
  391877.2686  0.0129 -5.9386 3  720.5104936  595161404581346 0    581247 0      C-13-H3C(O)CH3
  391880.2069  0.5546 -6.7234 3 1555.3453B12  5951614046966 3 1    6965 4 1      C-13-H3C(O)CH3
  391896.3071  0.0115 -6.6130 3   46.7922216  5951614041313 1 0    1210 2 0      C-13-H3C(O)CH3
  391903.0129  0.0112 -5.8269 3  339.4345568  595161404352313 1    342411 1      C-13-H3C(O)CH3
  391911.2616  0.0277 -6.1225 3  562.1442348  5951614044336 7 4    4237 5 4      C-13-H3C(O)CH3
  391920.9830  0.0509 -5.5055 3 1257.2681B60  595161404722547 0    722548 0      C-13-H3C(O)CH3
  391920.9830  0.0509 -5.5055 3 1257.2681B60  595161404722647 0    722448 0      C-13-H3C(O)CH3
  391933.2274  0.0531 -5.8161 3 1257.2868B60  595161404722647 1    722448 1      C-13-H3C(O)CH3
  391933.2274  0.0531 -5.7817 3 1257.2868B60  595161404722647 1    722548 1      C-13-H3C(O)CH3
  391933.2274  0.0531 -5.8161 3 1257.2868B60  595161404722547 1    722548 1      C-13-H3C(O)CH3
  391933.2274  0.0531 -5.7817 3 1257.2868B60  595161404722547 1    722448 1      C-13-H3C(O)CH3
  391935.5026  0.5024 -6.7233 3 1555.3274B12  5951614046966 4 2    6965 5 2      C-13-H3C(O)CH3
  391938.5062  0.0585 -5.5796 3 1257.2881B60  595161404722547 2    722548 2      C-13-H3C(O)CH3
  391938.5062  0.0585 -6.2613 3 1257.2881B60  595161404722647 2    722548 2      C-13-H3C(O)CH3
  391938.5062  0.0585 -6.2613 3 1257.2881B60  595161404722547 2    722448 2      C-13-H3C(O)CH3
  391938.5062  0.0585 -5.5796 3 1257.2881B60  595161404722647 2    722448 2      C-13-H3C(O)CH3
  391946.1446  0.0170 -4.6785 3  720.4825936  595161404581246 2    581247 2      C-13-H3C(O)CH3
  391946.1446  0.0170 -4.6785 3  720.4825936  595161404581346 2    581147 2      C-13-H3C(O)CH3
  391946.2370  0.0174 -4.6987 3  720.4828936  595161404581246 1    581247 1      C-13-H3C(O)CH3
  391946.2370  0.0174 -6.0142 3  720.4828936  595161404581246 1    581147 1      C-13-H3C(O)CH3
  391946.2370  0.0174 -4.6987 3  720.4828936  595161404581346 1    581147 1      C-13-H3C(O)CH3
  391946.2370  0.0174 -6.0142 3  720.4828936  595161404581346 1    581247 1      C-13-H3C(O)CH3
  391950.8099  0.0522 -5.8403 3 1257.3068580  595161404722647 3    722448 3      C-13-H3C(O)CH3
  391950.8099  0.0522 -5.8403 3 1257.3068580  595161404722547 3    722548 3      C-13-H3C(O)CH3
  391950.8791  0.0522 -5.8133 3 1257.3068580  595161404722547 4    722448 4      C-13-H3C(O)CH3
  391950.8791  0.0522 -5.8133 3 1257.3068580  595161404722647 4    722548 4      C-13-H3C(O)CH3
  391964.8402  0.0181 -5.4790 3  339.4119284  595161404352313 3    342411 3      C-13-H3C(O)CH3
  391966.9847  0.0162 -5.1846 3  439.5566632  595161404392911 0    3830 8 0      C-13-H3C(O)CH3
  391968.0488  0.0372 -6.3543 3  775.5606872  595161404542827 1    532924 1      C-13-H3C(O)CH3
  391968.8432  0.0162 -5.1846 3  439.5566632  595161404392910 0    3830 9 0      C-13-H3C(O)CH3
  391979.7929  0.0024 -3.6993 3  248.5717284 -59516140435 629 3    34 728 3      C-13-H3C(O)CH3
  391979.7929  0.0024 -3.6993 3  248.5717284 -59516140435 729 3    34 628 3      C-13-H3C(O)CH3
  391979.7929  0.0024 -4.1920 3  248.5717284 -59516140435 729 4    34 728 4      C-13-H3C(O)CH3
  391979.7929  0.0024 -3.8664 3  248.5717284 -59516140435 629 4    34 728 4      C-13-H3C(O)CH3
  391979.8488  0.0024 -4.1920 3  248.5717284  59516140435 629 4    34 628 4      C-13-H3C(O)CH3
  391979.8488  0.0024 -3.8664 3  248.5717284  59516140435 729 4    34 628 4      C-13-H3C(O)CH3
  391979.8867  0.0024 -6.3788 3  248.5717284  59516140435 629 3    34 628 3      C-13-H3C(O)CH3
  391979.8867  0.0024 -6.3788 3  248.5717284  59516140435 729 3    34 728 3      C-13-H3C(O)CH3
  392001.4634  0.0115 -6.6129 3   46.7887216  5951614041313 0 0    1210 3 0      C-13-H3C(O)CH3
  392002.6573  0.0524 -6.3533 3  775.5591872  595161404542827 2    532924 2      C-13-H3C(O)CH3
  392008.9523  0.0275 -5.8200 3  562.0935696  5951614044336 8 1    4237 6 1      C-13-H3C(O)CH3
  392013.0418  0.0237 -5.8204 3  562.1290696  5951614044336 7 2    4237 5 2      C-13-H3C(O)CH3
  392015.1916  0.0191 -4.9795 3  720.4548468  595161404581346 4    581247 4      C-13-H3C(O)CH3
  392015.1916  0.0191 -4.9795 3  720.4548468  595161404581246 4    581147 4      C-13-H3C(O)CH3
  392015.2010  0.0191 -4.9792 3  720.4548468  595161404581346 3    581247 3      C-13-H3C(O)CH3
  392015.2010  0.0191 -4.9792 3  720.4548468  595161404581246 3    581147 3      C-13-H3C(O)CH3
  392026.8894  0.0028 -4.2782 3  248.5727568 -59516140435 629 1    34 628 1      C-13-H3C(O)CH3
  392026.8894  0.0028 -3.8774 3  248.5727568 -59516140435 729 1    34 628 1      C-13-H3C(O)CH3
  392026.9018  0.0028 -3.4585 3  248.5727568  59516140435 629 1    34 728 1      C-13-H3C(O)CH3
  392026.9018  0.0028 -3.5718 3  248.5727568  59516140435 729 1    34 728 1      C-13-H3C(O)CH3
  392027.5531  0.0028 -3.8162 3  248.5720568  59516140435 629 2    34 628 2      C-13-H3C(O)CH3
  392027.5531  0.0028 -3.6057 3  248.5720568  59516140435 729 2    34 628 2      C-13-H3C(O)CH3
  392027.5960  0.0028 -3.6057 3  248.5720568 -59516140435 629 2    34 728 2      C-13-H3C(O)CH3
  392027.5960  0.0028 -3.8162 3  248.5720568 -59516140435 729 2    34 728 2      C-13-H3C(O)CH3
  392070.2986  0.0162 -5.1838 3  439.5360632  595161404392911 2    3830 9 2      C-13-H3C(O)CH3
  392074.4710  0.0023 -3.4174 3  248.5730568  59516140435 629 0    34 628 0      C-13-H3C(O)CH3
  392074.4710  0.0023 -4.7398 3  248.5730568  59516140435 729 0    34 628 0      C-13-H3C(O)CH3
  392074.4938  0.0023 -4.7398 3  248.5730568 -59516140435 629 0    34 728 0      C-13-H3C(O)CH3
  392074.4938  0.0023 -3.4174 3  248.5730568 -59516140435 729 0    34 728 0      C-13-H3C(O)CH3
  392082.3717  0.0195 -5.7003 3  510.8658696  595161404432717 0    432420 0      C-13-H3C(O)CH3
  392083.3785  0.2429 -6.4929 3 1064.0091500  595161404623824 3    623527 3      C-13-H3C(O)CH3
  392092.2121  0.5484 -6.7231 3 1555.3414B12  5951614046966 3 2    6965 4 2      C-13-H3C(O)CH3
  392111.7796  0.2328 -6.4932 3 1064.0092500  595161404623824 4    623527 4      C-13-H3C(O)CH3
  392112.8292  0.0287 -6.1210 3  562.1171348  5951614044336 7 3    4237 5 3      C-13-H3C(O)CH3
  392119.7533  0.0539 -6.6530 3  775.5547436  595161404542827 4    532924 4      C-13-H3C(O)CH3
  392120.7351  0.0537 -6.6530 3  775.5546436  595161404542827 3    532924 3      C-13-H3C(O)CH3
  392123.0533  0.0186 -6.0270 3  298.8935268  595161404332112 3    322210 3      C-13-H3C(O)CH3
  392126.3783  0.0172 -5.1849 3  439.5399632  595161404392910 1    3830 8 1      C-13-H3C(O)CH3
  392142.8091  0.0164 -6.3851 3  298.8921268  595161404332112 4    322210 4      C-13-H3C(O)CH3
  392147.1170  0.5984 -6.2544 3 1105.4897A16  595161404634023 1    633726 1      C-13-H3C(O)CH3
  392153.2351  0.0221 -6.0270 3  453.6617648  595161404402813 1    402516 1      C-13-H3C(O)CH3
  392165.7834  0.0314 -6.3498 3  453.6409324  595161404402813 4    402516 4      C-13-H3C(O)CH3
  392177.3835  0.0082 -4.1557 3  152.5075196  595161404241510 4    2314 9 4      C-13-H3C(O)CH3
  392193.4827  0.0246 -6.5895 3  121.7837172  5951614042116 5 4    2015 6 4      C-13-H3C(O)CH3
  392202.7559  0.0163 -5.1842 3  439.5180632  595161404392911 1    3830 9 1      C-13-H3C(O)CH3
  392209.6609  0.0301 -6.1217 3  562.0963348  5951614044336 8 3    4237 6 3      C-13-H3C(O)CH3
  392215.4389  0.0254 -5.8190 3  562.1017696  5951614044336 8 2    4237 6 2      C-13-H3C(O)CH3
  392222.4882  0.0071 -4.1544 3  152.5071196  595161404241510 3    2314 9 3      C-13-H3C(O)CH3
  392226.1553  0.0182 -5.4851 3  439.5193316  595161404392911 3    3830 8 3      C-13-H3C(O)CH3
  392238.8875  0.0337 -6.0338 3  541.3464356  595161404442916 3    442619 3      C-13-H3C(O)CH3
  392260.2329  0.2420 -6.1943 3 1064.0079A00  595161404623824 2    623527 2      C-13-H3C(O)CH3
  392260.8973  0.0124 -5.8904 3  298.9128536  595161404332112 1    322210 1      C-13-H3C(O)CH3
  392271.5322  0.0190 -5.7002 3  510.8463696  595161404432717 1    432420 1      C-13-H3C(O)CH3
  392275.5554  0.0170 -5.1841 3  439.5529632  595161404392910 2    3830 8 2      C-13-H3C(O)CH3
  392281.9558  0.2443 -6.1941 3 1064.0044A00  595161404623824 1    623527 1      C-13-H3C(O)CH3
  392304.3845  0.0179 -5.4844 3  439.4972316  595161404392911 4    3830 9 4      C-13-H3C(O)CH3
  392349.1031  0.0201 -5.7968 3  453.6797648  595161404402813 0    402516 0      C-13-H3C(O)CH3
  392357.9199  0.0170 -6.4405 3  279.6599260  595161404322012 4    312110 4      C-13-H3C(O)CH3
  392366.9992  0.0042 -4.8642 3   65.0460140  59516140417 710 3    16 611 3      C-13-H3C(O)CH3
  392367.8532  0.0057 -4.8642 3   65.0460140  59516140417 710 4    16 611 4      C-13-H3C(O)CH3
  392370.0258  0.0184 -5.7009 3  510.8420696  595161404432717 2    432420 2      C-13-H3C(O)CH3
  392381.0294  0.0115 -4.6616 3  685.5869920  595161404571146 0    571147 0      C-13-H3C(O)CH3
  392381.0294  0.0115 -5.9576 3  685.5869920  595161404571246 0    571147 0      C-13-H3C(O)CH3
  392381.0294  0.0115 -4.6616 3  685.5869920  595161404571246 0    571047 0      C-13-H3C(O)CH3
  392381.0294  0.0115 -5.9576 3  685.5869920  595161404571146 0    571047 0      C-13-H3C(O)CH3
  392386.5351  0.0182 -6.4999 3  279.6597260  595161404322012 3    312110 3      C-13-H3C(O)CH3
  392388.2721  0.4915 -6.3542 3 1208.2968A64  595161404664125 0    663828 0      C-13-H3C(O)CH3
  392388.9628  0.0027 -6.2726 3  127.0697180  5951614042214 9 4    2113 9 4      C-13-H3C(O)CH3
  392394.5302  0.0278 -6.0429 3  453.6595648  595161404402813 2    402516 2      C-13-H3C(O)CH3
  392409.9309  0.0330 -6.1203 3  562.0689348  5951614044336 8 4    4237 6 4      C-13-H3C(O)CH3
  392422.4556  0.0068 -3.8533 3  152.5042392 -595161404241510 1    2314 9 1      C-13-H3C(O)CH3
  392428.7221  0.0161 -5.2726 3  685.5569920  595161404571146 2    571047 2      C-13-H3C(O)CH3
  392428.7221  0.0161 -4.7551 3  685.5569920  595161404571146 2    571147 2      C-13-H3C(O)CH3
  392428.7221  0.0161 -4.7551 3  685.5569920  595161404571246 2    571047 2      C-13-H3C(O)CH3
  392428.7221  0.0161 -5.2726 3  685.5569920  595161404571246 2    571147 2      C-13-H3C(O)CH3
  392428.9599  0.0165 -4.6993 3  685.5572920  595161404571246 1    571147 1      C-13-H3C(O)CH3
  392428.9599  0.0165 -4.6993 3  685.5572920  595161404571146 1    571047 1      C-13-H3C(O)CH3
  392428.9599  0.0165 -5.5335 3  685.5572920  595161404571146 1    571147 1      C-13-H3C(O)CH3
  392428.9599  0.0165 -5.5335 3  685.5572920  595161404571246 1    571047 1      C-13-H3C(O)CH3
  392429.2337  0.0042 -4.8641 3   65.0460140  59516140417 810 3    16 511 3      C-13-H3C(O)CH3
  392429.4973  0.0057 -4.8641 3   65.0460140  59516140417 810 4    16 511 4      C-13-H3C(O)CH3
  392431.3970  0.0200 -5.4854 3  439.5362316  595161404392910 4    3830 8 4      C-13-H3C(O)CH3
  392436.8123  0.0078 -5.9308 3   54.2650124  5951614041510 5 3    14 7 8 3      C-13-H3C(O)CH3
  392437.8178  0.6106 -6.4882 3 1037.8492492  595161404613922 3    613625 3      C-13-H3C(O)CH3
  392459.7329  0.2466 -6.1964 3 1064.0031A00  595161404623824 0    623527 0      C-13-H3C(O)CH3
  392476.6320  0.0176 -5.7587 3  685.5271460  595161404571246 4    571047 4      C-13-H3C(O)CH3
  392476.6320  0.0176 -5.7587 3  685.5271460  595161404571146 4    571147 4      C-13-H3C(O)CH3
  392476.6320  0.0176 -5.0124 3  685.5271460  595161404571246 4    571147 4      C-13-H3C(O)CH3
  392476.6320  0.0176 -5.0124 3  685.5271460  595161404571146 4    571047 4      C-13-H3C(O)CH3
  392476.7167  0.0176 -5.0181 3  685.5272460  595161404571146 3    571147 3      C-13-H3C(O)CH3
  392476.7167  0.0176 -5.7281 3  685.5272460  595161404571146 3    571047 3      C-13-H3C(O)CH3
  392476.7167  0.0176 -5.0181 3  685.5272460  595161404571246 3    571047 3      C-13-H3C(O)CH3
  392476.7167  0.0176 -5.7281 3  685.5272460  595161404571246 3    571147 3      C-13-H3C(O)CH3
  392507.7335  0.0175 -5.4847 3  439.5142316  595161404392910 3    3830 9 3      C-13-H3C(O)CH3
  392508.6275  0.0130 -6.1786 3  279.6798520  595161404322012 1    312110 1      C-13-H3C(O)CH3
  392516.3784  0.1219 -6.6885 3 1657.1529652  595161404813348 4    813349 4      C-13-H3C(O)CH3
  392516.3784  0.1219 -6.5501 3 1657.1529652  595161404813348 4    813249 4      C-13-H3C(O)CH3
  392516.4401  0.1219 -6.6552 3 1657.1529652  595161404813448 3    813349 3      C-13-H3C(O)CH3
  392516.4401  0.1219 -6.6552 3 1657.1529652  595161404813348 3    813249 3      C-13-H3C(O)CH3
  392528.7282  0.0152 -6.0024 3  510.8223348  595161404432717 4    432420 4      C-13-H3C(O)CH3
  392556.2481  0.0024 -6.4328 3  127.0631360  5951614042214 9 1    2113 9 1      C-13-H3C(O)CH3
  392556.2946  0.1369 -6.5764 3 1657.1418D04  595161404813348 2    813249 2      C-13-H3C(O)CH3
  392556.2946  0.1369 -6.5764 3 1657.1418D04  595161404813448 2    813349 2      C-13-H3C(O)CH3
  392556.2946  0.1369 -6.4616 3 1657.1418D04  595161404813348 2    813349 2      C-13-H3C(O)CH3
  392556.2946  0.1369 -6.4616 3 1657.1418D04  595161404813448 2    813249 2      C-13-H3C(O)CH3
  392556.6562  0.1482 -6.3444 3 1657.1385D04  595161404813448 1    813349 1      C-13-H3C(O)CH3
  392556.6562  0.1482 -6.3444 3 1657.1385D04  595161404813348 1    813249 1      C-13-H3C(O)CH3
  392560.0496  0.0094 -4.0811 3  209.1745456 -595161404281612 2    271711 2      C-13-H3C(O)CH3
  392582.9519  0.0024 -6.7190 3  127.0603360  5951614042214 9 2    2113 9 2      C-13-H3C(O)CH3
  392587.5748  0.0161 -6.0013 3  510.8224348  595161404432717 3    432420 3      C-13-H3C(O)CH3
  392596.4773  0.1522 -6.6613 3 1657.1274D04  595161404813448 0    813249 0      C-13-H3C(O)CH3
  392596.4773  0.1522 -6.4059 3 1657.1274D04  595161404813448 0    813349 0      C-13-H3C(O)CH3
  392596.4773  0.1522 -6.4059 3 1657.1274D04  595161404813348 0    813249 0      C-13-H3C(O)CH3
  392596.4773  0.1522 -6.6613 3 1657.1274D04  595161404813348 0    813349 0      C-13-H3C(O)CH3
  392628.1909  0.7162 -6.5059 3 1037.8495492  595161404613922 4    613625 4      C-13-H3C(O)CH3
  392632.0685  0.0046 -4.5621 3   65.0045280  59516140417 710 2    16 611 2      C-13-H3C(O)CH3
  392636.5174  0.0163 -6.6491 3  261.1294252  595161404311912 4    302010 4      C-13-H3C(O)CH3
  392643.8988  0.0224 -5.7068 3  536.8213712  595161404442817 0    442520 0      C-13-H3C(O)CH3
  392648.8117  0.0083 -4.0812 3  209.1879456 -595161404281612 0    271711 0      C-13-H3C(O)CH3
  392656.7380  0.0045 -4.5623 3   65.0056280  59516140417 710 1    16 611 1      C-13-H3C(O)CH3
  392662.4644  0.0078 -5.9439 3   54.2650124  5951614041510 5 4    14 7 8 4      C-13-H3C(O)CH3
  392691.9062  0.0068 -5.6257 3   54.2211248  5951614041510 5 2    14 7 8 2      C-13-H3C(O)CH3
  392696.6398  0.0046 -4.5620 3   65.0045280  59516140417 810 2    16 511 2      C-13-H3C(O)CH3
  392696.8042  0.0064 -3.8518 3  152.4921392 -595161404241510 2    2314 9 2      C-13-H3C(O)CH3
  392711.0000  0.4508 -6.3543 3 1208.2992A64  595161404664125 2    663828 2      C-13-H3C(O)CH3
  392718.2100  0.0130 -4.6435 3  298.8895536  595161404332112 2    322211 2      C-13-H3C(O)CH3
  392719.5247  0.0044 -4.5622 3   65.0056280  59516140417 810 1    16 511 1      C-13-H3C(O)CH3
  392738.8599  0.0478 -6.6187 3 1214.2246B44  595161404712447 0    712348 0      C-13-H3C(O)CH3
  392738.8599  0.0478 -6.6187 3 1214.2246B44  595161404712547 0    712448 0      C-13-H3C(O)CH3
  392738.8599  0.0478 -5.4513 3 1214.2246B44  595161404712547 0    712348 0      C-13-H3C(O)CH3
  392738.8599  0.0478 -5.4513 3 1214.2246B44  595161404712447 0    712448 0      C-13-H3C(O)CH3
  392741.1544  0.0075 -4.6833 3  315.0927552  595161404342114 2    332211 2      C-13-H3C(O)CH3
  392744.9773  0.0349 -6.2985 3  453.6419324  595161404402813 3    402516 3      C-13-H3C(O)CH3
  392761.3567  0.0063 -5.6297 3   54.2227248  5951614041510 5 1    14 7 8 1      C-13-H3C(O)CH3
  392762.1234  0.0514 -5.5134 3 1214.2418B44  595161404712547 1    712448 1      C-13-H3C(O)CH3
  392762.1234  0.0514 -6.1474 3 1214.2418B44  595161404712547 1    712348 1      C-13-H3C(O)CH3
  392762.1234  0.0514 -6.1474 3 1214.2418B44  595161404712447 1    712448 1      C-13-H3C(O)CH3
  392762.1234  0.0514 -5.5134 3 1214.2418B44  595161404712447 1    712348 1      C-13-H3C(O)CH3
  392767.3331  0.0565 -5.4552 3 1214.2429B44  595161404712547 2    712448 2      C-13-H3C(O)CH3
  392767.3331  0.0565 -6.5647 3 1214.2429B44  595161404712547 2    712348 2      C-13-H3C(O)CH3
  392767.3331  0.0565 -6.5647 3 1214.2429B44  595161404712447 2    712448 2      C-13-H3C(O)CH3
  392767.3331  0.0565 -5.4552 3 1214.2429B44  595161404712447 2    712348 2      C-13-H3C(O)CH3
  392771.5243  0.0267 -6.1817 3  453.6617648  595161404402812 1    402516 1      C-13-H3C(O)CH3
  392783.1179  0.0127 -4.3790 3  209.1642228  595161404281612 3    271711 3      C-13-H3C(O)CH3
  392789.2390  0.0125 -6.5095 3  261.1482504  595161404311912 1    302010 1      C-13-H3C(O)CH3
  392790.6658  0.0483 -6.3242 3 1214.2602572  595161404712447 3    712348 3      C-13-H3C(O)CH3
  392790.6658  0.0483 -6.3242 3 1214.2602572  595161404712547 3    712448 3      C-13-H3C(O)CH3
  392790.6658  0.0483 -5.8491 3 1214.2602572  595161404712547 3    712348 3      C-13-H3C(O)CH3
  392790.6658  0.0483 -5.8491 3 1214.2602572  595161404712447 3    712448 3      C-13-H3C(O)CH3
  392790.7559  0.0484 -5.7621 3 1214.2602572  595161404712447 4    712448 4      C-13-H3C(O)CH3
  392790.7559  0.0484 -5.7621 3 1214.2602572  595161404712547 4    712348 4      C-13-H3C(O)CH3
  392790.9682  0.0088 -4.9884 3  315.0707276  595161404342114 3    332211 3      C-13-H3C(O)CH3
  392819.0945  0.0114 -4.3791 3  209.1635228  595161404281612 4    271711 4      C-13-H3C(O)CH3
  392820.8292  0.0081 -4.9834 3  315.0696276  595161404342114 4    332211 4      C-13-H3C(O)CH3
  392846.5931  0.0110 -4.6420 3  298.9094536  595161404332112 0    322211 0      C-13-H3C(O)CH3
  392862.7897  0.0059 -4.6823 3  315.1129552  595161404342114 0    332211 0      C-13-H3C(O)CH3
  392872.8639  0.0109 -4.6122 3  651.2472904  595161404561146 0    561047 0      C-13-H3C(O)CH3
  392872.8639  0.0109 -4.6122 3  651.2472904  595161404561046 0    56 947 0      C-13-H3C(O)CH3
  392872.8639  0.0109 -6.4994 3  651.2472904  595161404561046 0    561047 0      C-13-H3C(O)CH3
  392872.8639  0.0109 -6.4994 3  651.2472904  595161404561146 0    56 947 0      C-13-H3C(O)CH3
  392873.2999  0.0212 -5.7074 3  536.8035712  595161404442817 1    442520 1      C-13-H3C(O)CH3
  392883.6928  0.0100 -4.0782 3  209.1773456 -595161404281612 1    271711 1      C-13-H3C(O)CH3
  392892.2241  0.0158 -4.6073 3  651.2163904  595161404561046 2    56 947 2      C-13-H3C(O)CH3
  392892.2241  0.0158 -4.6073 3  651.2163904  595161404561146 2    561047 2      C-13-H3C(O)CH3
  392892.5192  0.0161 -4.7627 3  651.2167904  595161404561046 1    561047 1      C-13-H3C(O)CH3
  392892.5192  0.0161 -4.7627 3  651.2167904  595161404561146 1    56 947 1      C-13-H3C(O)CH3
  392892.5192  0.0161 -5.1261 3  651.2167904  595161404561046 1    56 947 1      C-13-H3C(O)CH3
  392892.5192  0.0161 -5.1261 3  651.2167904  595161404561146 1    561047 1      C-13-H3C(O)CH3
  392902.1976  0.0057 -5.6187 3   54.1790248  5951614041510 5 0    14 7 8 0      C-13-H3C(O)CH3
  392911.7404  0.0161 -5.2300 3  651.1857452  595161404561146 4    561047 4      C-13-H3C(O)CH3
  392911.7404  0.0161 -5.1878 3  651.1857452  595161404561046 4    561047 4      C-13-H3C(O)CH3
  392911.7404  0.0161 -5.2300 3  651.1857452  595161404561046 4    56 947 4      C-13-H3C(O)CH3
  392911.7404  0.0161 -5.1878 3  651.1857452  595161404561146 4    56 947 4      C-13-H3C(O)CH3
  392911.9103  0.0161 -4.9383 3  651.1858452  595161404561046 3    56 947 3      C-13-H3C(O)CH3
  392911.9103  0.0161 -4.9383 3  651.1858452  595161404561146 3    561047 3      C-13-H3C(O)CH3
  392911.9103  0.0161 -6.0698 3  651.1858452  595161404561046 3    561047 3      C-13-H3C(O)CH3
  392911.9103  0.0161 -6.0698 3  651.1858452  595161404561146 3    56 947 3      C-13-H3C(O)CH3
  392913.7943  0.0063 -3.8511 3  152.4892392 -595161404241510 0    2314 9 0      C-13-H3C(O)CH3
  392920.9266  0.0046 -4.5612 3   64.9642280  59516140417 710 0    16 611 0      C-13-H3C(O)CH3
  392924.4619  0.0063 -4.6839 3  315.0906552  595161404342114 1    332211 1      C-13-H3C(O)CH3
  392946.2058  0.0068 -5.4542 3   57.9641248  5951614041512 3 0    14 9 6 0      C-13-H3C(O)CH3
  392948.2112  0.4597 -6.3546 3 1208.2907A64  595161404664125 1    663828 1      C-13-H3C(O)CH3
  392971.3069  0.0032 -6.1367 3  129.6716180  5951614042215 7 3    2114 7 3      C-13-H3C(O)CH3
  392985.2162  0.0070 -4.1449 3  102.6831328  5951614042012 8 2    1911 9 2      C-13-H3C(O)CH3
  392986.3254  0.0046 -4.5611 3   64.9642280  59516140417 810 0    16 511 0      C-13-H3C(O)CH3
  393016.4633  0.0224 -5.7090 3  536.7992712  595161404442817 2    442520 2      C-13-H3C(O)CH3
  393036.3731  0.0070 -4.1436 3  102.6657328 -5951614042012 8 0    1911 9 0      C-13-H3C(O)CH3
  393050.5638  0.0196 -4.9577 3  298.8619268  595161404332112 4    322211 4      C-13-H3C(O)CH3
  393054.3959  0.0024 -3.8650 3  253.3073292  59516140436 631 4    35 530 4      C-13-H3C(O)CH3
  393054.3959  0.0024 -4.1180 3  253.3073292  59516140436 531 4    35 530 4      C-13-H3C(O)CH3
  393054.4082  0.0023 -4.2324 3  253.3073292 -59516140436 531 3    35 530 3      C-13-H3C(O)CH3
  393054.4082  0.0023 -3.8122 3  253.3073292 -59516140436 631 3    35 530 3      C-13-H3C(O)CH3
  393054.4082  0.0024 -4.1180 3  253.3073292 -59516140436 631 4    35 630 4      C-13-H3C(O)CH3
  393054.4082  0.0024 -3.8650 3  253.3073292 -59516140436 531 4    35 630 4      C-13-H3C(O)CH3
  393054.4193  0.0023 -3.8122 3  253.3073292  59516140436 531 3    35 630 3      C-13-H3C(O)CH3
  393054.4193  0.0023 -4.2324 3  253.3073292  59516140436 631 3    35 630 3      C-13-H3C(O)CH3
  393069.3737  0.0141 -5.8147 3  318.8436552  595161404342212 2    332310 2      C-13-H3C(O)CH3
  393099.0361  0.0028 -3.3717 3  253.3028584 -59516140436 631 1    35 530 1      C-13-H3C(O)CH3
  393099.0361  0.0028 -3.3717 3  253.3028584 -59516140436 531 1    35 630 1      C-13-H3C(O)CH3
  393099.1388  0.0028 -6.2988 3  253.3028584  59516140436 631 1    35 630 1      C-13-H3C(O)CH3
  393099.1388  0.0028 -6.2988 3  253.3028584  59516140436 531 1    35 530 1      C-13-H3C(O)CH3
  393099.5749  0.0028 -5.0058 3  253.3022584  59516140436 631 2    35 530 2      C-13-H3C(O)CH3
  393099.5749  0.0028 -5.0058 3  253.3022584  59516140436 531 2    35 630 2      C-13-H3C(O)CH3
  393099.6539  0.0028 -3.3814 3  253.3022584 -59516140436 531 2    35 530 2      C-13-H3C(O)CH3
  393099.6539  0.0028 -3.3814 3  253.3022584 -59516140436 631 2    35 630 2      C-13-H3C(O)CH3
  393107.2046  0.0191 -4.9791 3  298.8607268  595161404332112 3    322211 3      C-13-H3C(O)CH3
  393135.9342  0.0073 -4.4484 3  102.7039164  5951614042012 8 3    1911 9 3      C-13-H3C(O)CH3
  393142.4434  0.0399 -6.5327 3  453.6419324  595161404402812 3    402516 3      C-13-H3C(O)CH3
  393144.1997  0.0023 -4.1137 3  253.2977584  59516140436 631 0    35 630 0      C-13-H3C(O)CH3
  393144.1997  0.0023 -4.1137 3  253.2977584  59516140436 531 0    35 530 0      C-13-H3C(O)CH3
  393144.2200  0.0023 -3.4578 3  253.2977584 -59516140436 531 0    35 630 0      C-13-H3C(O)CH3
  393144.2200  0.0023 -3.4578 3  253.2977584 -59516140436 631 0    35 530 0      C-13-H3C(O)CH3
  393145.0576  0.5355 -6.4308 3  972.3052476  595161404593821 3    593524 3      C-13-H3C(O)CH3
  393158.8126  0.0258 -6.2215 3  434.2869632  595161404392812 1    392514 1      C-13-H3C(O)CH3
  393162.7372  0.0363 -6.5650 3  434.2672316  595161404392812 4    392514 4      C-13-H3C(O)CH3
  393172.8278  0.0105 -4.4490 3  102.7036164  5951614042012 8 4    1911 9 4      C-13-H3C(O)CH3
  393183.5581  0.0179 -6.0126 3  536.7813356  595161404442817 4    442520 4      C-13-H3C(O)CH3
  393190.5519  0.0037 -4.5923 3  129.6799180  5951614042215 7 4    2114 7 4      C-13-H3C(O)CH3
  393199.3874  0.0078 -4.0973 3  140.7562188  5951614042315 9 4    2214 8 4      C-13-H3C(O)CH3
  393200.6558  0.6684 -6.5558 3 1105.4800508  595161404634023 3    633726 3      C-13-H3C(O)CH3
  393202.1665  0.0137 -4.6662 3  298.8814536  595161404332112 1    322211 1      C-13-H3C(O)CH3
  393202.2541  0.0071 -4.1464 3  102.6863328  5951614042012 8 1    1911 9 1      C-13-H3C(O)CH3
  393232.9855  0.0032 -4.6810 3  129.6679360  5951614042215 7 1    2114 7 1      C-13-H3C(O)CH3
  393242.7728  0.0194 -5.6649 3  318.8187276  595161404342212 3    332310 3      C-13-H3C(O)CH3
  393269.9497  0.3052 -6.6555 3 1208.2929532  595161404664125 3    663828 3      C-13-H3C(O)CH3
  393278.5573  0.0032 -4.8955 3  129.6635360  5951614042215 7 2    2114 7 2      C-13-H3C(O)CH3
  393297.5513  0.3471 -6.6561 3 1208.2930532  595161404664125 4    663828 4      C-13-H3C(O)CH3
  393305.9568  0.0210 -6.0085 3  536.7814356  595161404442817 3    442520 3      C-13-H3C(O)CH3
  393309.0491  0.7620 -6.5630 3 1105.4802508  595161404634023 4    633726 4      C-13-H3C(O)CH3
  393320.7482  0.0148 -5.0757 3  617.4317444  595161404551046 4    55 947 4      C-13-H3C(O)CH3
  393320.7482  0.0148 -5.3189 3  617.4317444  59516140455 946 4    55 947 4      C-13-H3C(O)CH3
  393320.7482  0.0148 -5.1816 3  617.4317444  595161404551046 4    55 847 4      C-13-H3C(O)CH3
  393320.7482  0.0148 -5.1793 3  617.4317444  59516140455 946 4    55 847 4      C-13-H3C(O)CH3
  393321.0075  0.0147 -5.9166 3  617.4317444  59516140455 946 3    55 947 3      C-13-H3C(O)CH3
  393321.0075  0.0147 -4.9213 3  617.4317444  595161404551046 3    55 947 3      C-13-H3C(O)CH3
  393321.0075  0.0147 -4.9213 3  617.4317444  59516140455 946 3    55 847 3      C-13-H3C(O)CH3
  393321.0075  0.0147 -5.9166 3  617.4317444  595161404551046 3    55 847 3      C-13-H3C(O)CH3
  393337.7362  0.0158 -4.6161 3  617.4616888  59516140455 946 2    55 947 2      C-13-H3C(O)CH3
  393337.7362  0.0158 -4.6161 3  617.4616888  595161404551046 2    55 847 2      C-13-H3C(O)CH3
  393337.7362  0.0158 -5.6586 3  617.4616888  595161404551046 2    55 947 2      C-13-H3C(O)CH3
  393337.7362  0.0158 -5.6586 3  617.4616888  59516140455 946 2    55 847 2      C-13-H3C(O)CH3
  393338.0118  0.0160 -4.5939 3  617.4620888  595161404551046 1    55 847 1      C-13-H3C(O)CH3
  393338.0118  0.0160 -4.5939 3  617.4620888  59516140455 946 1    55 947 1      C-13-H3C(O)CH3
  393338.0118  0.0160 -6.0345 3  617.4620888  595161404551046 1    55 947 1      C-13-H3C(O)CH3
  393338.0118  0.0160 -6.0345 3  617.4620888  59516140455 946 1    55 847 1      C-13-H3C(O)CH3
  393343.4753  0.0090 -5.7788 3   58.0009248  5951614041512 3 1    14 9 6 1      C-13-H3C(O)CH3
  393354.7257  0.0109 -4.8137 3  617.4919888  59516140455 946 0    55 847 0      C-13-H3C(O)CH3
  393354.7257  0.0109 -4.9571 3  617.4919888  59516140455 946 0    55 947 0      C-13-H3C(O)CH3
  393354.7257  0.0109 -4.8137 3  617.4919888  595161404551046 0    55 947 0      C-13-H3C(O)CH3
  393354.7257  0.0109 -4.9571 3  617.4919888  595161404551046 0    55 847 0      C-13-H3C(O)CH3
  393372.7994  0.0081 -4.0853 3  140.7546188  5951614042315 9 3    2214 8 3      C-13-H3C(O)CH3
  393396.4506  0.0382 -6.1642 3  453.6595648  595161404402812 2    402516 2      C-13-H3C(O)CH3
  393407.1657  0.0118 -5.7136 3  318.8357552  595161404342212 1    332310 1      C-13-H3C(O)CH3
  393408.8510  0.0089 -5.7716 3   58.0002248  5951614041512 3 2    14 9 6 2      C-13-H3C(O)CH3
  393426.8380  0.3371 -6.1006 3  908.8822920  595161404573720 1    573423 1      C-13-H3C(O)CH3
  393460.6360  0.6455 -6.4700 3  972.3056476  595161404593821 4    593524 4      C-13-H3C(O)CH3
  393462.7915  0.0042 -3.6247 3  122.0909164 -5951614042019 1 4    1918 1 4      C-13-H3C(O)CH3
  393466.9823  0.0224 -5.6092 3  528.0726680  5951614044234 8 1    4135 6 1      C-13-H3C(O)CH3
  393472.4568  0.0225 -5.6084 3  528.0679680  5951614044234 9 0    4135 6 0      C-13-H3C(O)CH3
  393472.4571  0.0225 -5.6084 3  528.0679680  5951614044234 8 0    4135 7 0      C-13-H3C(O)CH3
  393487.9745  0.0236 -5.8798 3  434.3047632  595161404392811 0    392514 0      C-13-H3C(O)CH3
  393491.7631  0.0214 -5.7499 3  519.7927696  595161404432915 0    432618 0      C-13-H3C(O)CH3
  393495.6105  0.0131 -4.7340 3  318.8294552  595161404342212 2    332311 2      C-13-H3C(O)CH3
  393505.7789  0.0319 -6.2460 3  434.2844632  595161404392812 2    392514 2      C-13-H3C(O)CH3
  393521.7928  0.0453 -5.4326 3 1171.7537B28  595161404702347 0    702248 0      C-13-H3C(O)CH3
  393521.7928  0.0453 -6.1109 3 1171.7537B28  595161404702347 0    702348 0      C-13-H3C(O)CH3
  393521.7928  0.0453 -6.1109 3 1171.7537B28  595161404702447 0    702248 0      C-13-H3C(O)CH3
  393521.7928  0.0453 -5.4326 3 1171.7537B28  595161404702447 0    702348 0      C-13-H3C(O)CH3
  393538.8643  0.0220 -5.8490 3  519.7765696  595161404432915 1    432618 1      C-13-H3C(O)CH3
  393548.6149  0.0066 -3.7871 3  140.7494376 -5951614042315 9 1    2214 8 1      C-13-H3C(O)CH3
  393556.6030  0.0502 -5.6806 3 1171.7690B28  595161404702347 1    702348 1      C-13-H3C(O)CH3
  393556.6030  0.0502 -5.6806 3 1171.7690B28  595161404702447 1    702248 1      C-13-H3C(O)CH3
  393556.6030  0.0502 -5.6229 3 1171.7690B28  595161404702447 1    702348 1      C-13-H3C(O)CH3
  393556.6030  0.0502 -5.6229 3 1171.7690B28  595161404702347 1    702248 1      C-13-H3C(O)CH3
  393561.6035  0.0547 -5.4790 3 1171.7698B28  595161404702447 2    702348 2      C-13-H3C(O)CH3
  393561.6035  0.0547 -5.4790 3 1171.7698B28  595161404702347 2    702248 2      C-13-H3C(O)CH3
  393561.6035  0.0547 -5.9392 3 1171.7698B28  595161404702447 2    702248 2      C-13-H3C(O)CH3
  393561.6035  0.0547 -5.9392 3 1171.7698B28  595161404702347 2    702348 2      C-13-H3C(O)CH3
  393564.2185  0.0469 -6.0768 3  505.7479348  595161404432518 3    432221 3      C-13-H3C(O)CH3
  393572.5982  0.0105 -4.6997 3  318.8495552  595161404342212 0    332311 0      C-13-H3C(O)CH3
  393573.6855  0.0471 -6.0768 3  505.7478348  595161404432518 4    432221 4      C-13-H3C(O)CH3
  393578.4984  0.5329 -6.1077 3  908.8809920  595161404573720 2    573423 2      C-13-H3C(O)CH3
  393586.8570  0.0344 -6.2409 3  519.7561348  595161404432915 4    432618 4      C-13-H3C(O)CH3
  393589.3970  0.0036 -3.6243 3  122.0189164 -5951614042019 2 3    1918 2 3      C-13-H3C(O)CH3
  393596.4928  0.0448 -5.6617 3 1171.7852564  595161404702347 3    702248 3      C-13-H3C(O)CH3
  393596.4928  0.0448 -5.6617 3 1171.7852564  595161404702447 3    702348 3      C-13-H3C(O)CH3
  393596.6038  0.0449 -5.6578 3 1171.7852564  595161404702447 4    702248 4      C-13-H3C(O)CH3
  393596.6038  0.0449 -5.6577 3 1171.7852564  595161404702347 4    702348 4      C-13-H3C(O)CH3
  393634.8963  0.0446 -5.7766 3  505.7685696  595161404432518 2    432221 2      C-13-H3C(O)CH3
  393650.5187  0.0039 -3.6241 3  122.0224164 -5951614042019 1 3    1918 1 3      C-13-H3C(O)CH3
  393656.9727  0.1090 -6.6349 3 1608.9797644  595161404803348 4    803249 4      C-13-H3C(O)CH3
  393656.9727  0.1090 -6.6349 3 1608.9797644  595161404803248 4    803149 4      C-13-H3C(O)CH3
  393657.0249  0.1090 -6.4786 3 1608.9797644  595161404803248 3    803249 3      C-13-H3C(O)CH3
  393657.0249  0.1090 -6.4786 3 1608.9797644  595161404803348 3    803149 3      C-13-H3C(O)CH3
  393691.0481  0.0276 -6.1424 3  434.2869632  595161404392811 1    392514 1      C-13-H3C(O)CH3
  393691.7776  0.0193 -6.5605 3  283.3362252  5951614043125 7 3    3122 9 3      C-13-H3C(O)CH3
  393694.3777  0.1283 -6.4380 3 1608.9632C88  595161404803348 1    803249 1      C-13-H3C(O)CH3
  393694.3777  0.1283 -6.4127 3 1608.9632C88  595161404803348 1    803149 1      C-13-H3C(O)CH3
  393694.3777  0.1283 -6.4380 3 1608.9632C88  595161404803248 1    803149 1      C-13-H3C(O)CH3
  393694.3777  0.1283 -6.4127 3 1608.9632C88  595161404803248 1    803249 1      C-13-H3C(O)CH3
  393695.2381  0.1203 -6.1242 3 1608.9663C88  595161404803348 2    803149 2      C-13-H3C(O)CH3
  393695.2381  0.1203 -6.1242 3 1608.9663C88  595161404803248 2    803249 2      C-13-H3C(O)CH3
  393703.8524  0.0137 -4.8781 3  584.2660436  59516140454 846 4    54 847 4      C-13-H3C(O)CH3
  393703.8524  0.0137 -6.2053 3  584.2660436  59516140454 846 4    54 747 4      C-13-H3C(O)CH3
  393703.8524  0.0137 -6.2053 3  584.2660436  59516140454 946 4    54 847 4      C-13-H3C(O)CH3
  393703.8524  0.0137 -4.8781 3  584.2660436  59516140454 946 4    54 747 4      C-13-H3C(O)CH3
  393704.1974  0.0136 -6.0061 3  584.2660436  59516140454 946 3    54 747 3      C-13-H3C(O)CH3
  393704.1974  0.0136 -6.0061 3  584.2660436  59516140454 846 3    54 847 3      C-13-H3C(O)CH3
  393704.1974  0.0136 -4.8902 3  584.2660436  59516140454 946 3    54 847 3      C-13-H3C(O)CH3
  393704.1974  0.0136 -4.8902 3  584.2660436  59516140454 846 3    54 747 3      C-13-H3C(O)CH3
  393712.0142  0.0244 -5.6083 3  528.0314680  5951614044234 9 1    4135 7 1      C-13-H3C(O)CH3
  393720.6902  0.0036 -3.3230 3  122.0806328 -5951614042019 1 1    1918 1 1      C-13-H3C(O)CH3
  393721.0694  0.0313 -5.8957 3  519.7726696  595161404432915 2    432618 2      C-13-H3C(O)CH3
  393722.1611  0.0160 -5.0020 3  318.8021276  595161404342212 4    332311 4      C-13-H3C(O)CH3
  393732.5690  0.1326 -6.1596 3 1608.9499C88  595161404803248 0    803149 0      C-13-H3C(O)CH3
  393732.5690  0.1326 -6.4872 3 1608.9499C88  595161404803348 0    803249 0      C-13-H3C(O)CH3
  393732.5690  0.1326 -6.3708 3 1608.9499C88  595161404803248 0    803249 0      C-13-H3C(O)CH3
  393739.5664  0.0389 -6.5462 3  434.2658316  595161404392812 3    392514 3      C-13-H3C(O)CH3
  393752.0099  0.0258 -5.9104 3  528.0731340  5951614044234 8 4    4135 6 4      C-13-H3C(O)CH3
  393756.7410  0.0220 -5.6085 3  528.0684680  5951614044234 8 2    4135 6 2      C-13-H3C(O)CH3
  393757.2024  0.0037 -3.3229 3  122.0956328 -5951614042019 1 2    1918 1 2      C-13-H3C(O)CH3
  393766.3159  0.0155 -4.7643 3  584.2935872  59516140454 946 2    54 747 2      C-13-H3C(O)CH3
  393766.3159  0.0155 -4.9776 3  584.2935872  59516140454 946 2    54 847 2      C-13-H3C(O)CH3
  393766.3159  0.0155 -4.9776 3  584.2935872  59516140454 846 2    54 747 2      C-13-H3C(O)CH3
  393766.3159  0.0155 -4.7643 3  584.2935872  59516140454 846 2    54 847 2      C-13-H3C(O)CH3
  393766.5139  0.0157 -4.6228 3  584.2939872  59516140454 946 1    54 747 1      C-13-H3C(O)CH3
  393766.5139  0.0157 -4.6228 3  584.2939872  59516140454 846 1    54 847 1      C-13-H3C(O)CH3
  393766.5139  0.0157 -5.4089 3  584.2939872  59516140454 946 1    54 847 1      C-13-H3C(O)CH3
  393766.5139  0.0157 -5.4089 3  584.2939872  59516140454 846 1    54 747 1      C-13-H3C(O)CH3
  393769.5104  0.7179 -6.3299 3 1175.2068A48  595161404654124 0    653827 0      C-13-H3C(O)CH3
  393776.2950  0.0446 -6.4570 3  453.6409324  595161404402812 4    402516 4      C-13-H3C(O)CH3
  393776.8398  0.0037 -3.6238 3  121.9507164 -5951614042019 2 4    1918 2 4      C-13-H3C(O)CH3
  393794.2259  0.0064 -3.7833 3  140.7409376 -5951614042315 9 2    2214 8 2      C-13-H3C(O)CH3
  393810.1406  0.0255 -5.9092 3  528.0508340  5951614044234 8 3    4135 6 3      C-13-H3C(O)CH3
  393816.5375  0.0225 -5.6074 3  528.0461680  5951614044234 9 2    4135 7 2      C-13-H3C(O)CH3
  393828.5556  0.0112 -4.5569 3  584.3213872  59516140454 946 0    54 747 0      C-13-H3C(O)CH3
  393828.5556  0.0112 -4.5569 3  584.3213872  59516140454 846 0    54 847 0      C-13-H3C(O)CH3
  393850.0046  0.0204 -5.1056 3  318.7984276  595161404342212 3    332311 3      C-13-H3C(O)CH3
  393861.8600  0.0142 -4.5690 3  279.6224520  595161404322012 2    312111 2      C-13-H3C(O)CH3
  393870.7659  0.0132 -4.7433 3  318.8202552  595161404342212 1    332311 1      C-13-H3C(O)CH3
  393872.5753  0.0227 -6.5512 3  283.3401252  5951614043125 6 4    3122 9 4      C-13-H3C(O)CH3
  393875.3786  0.0078 -6.2964 3  234.5823244  595161404301515 3    301218 3      C-13-H3C(O)CH3
  393876.2634  0.0087 -6.2964 3  234.5823244  595161404301515 4    301218 4      C-13-H3C(O)CH3
  393883.2011  0.0037 -3.3226 3  122.0237328 -5951614042019 2 2    1918 2 2      C-13-H3C(O)CH3
  393907.6687  0.0036 -3.3225 3  122.0122328 -5951614042019 2 1    1918 2 1      C-13-H3C(O)CH3
  393910.6231  0.0119 -6.1317 3   58.0353124  5951614041512 3 4    14 9 6 4      C-13-H3C(O)CH3
  393913.2395  0.0075 -5.9945 3  234.5964488  595161404301515 2    301218 2      C-13-H3C(O)CH3
  393934.5286  0.0244 -5.7768 3  505.7722696  595161404432518 1    432221 1      C-13-H3C(O)CH3
  393991.1412  0.0076 -5.9942 3  234.5989488  595161404301515 1    301218 1      C-13-H3C(O)CH3
  393995.2417  0.0262 -5.9095 3  528.0320340  5951614044234 9 3    4135 7 3      C-13-H3C(O)CH3
  394003.0541  0.0243 -5.7775 3  505.7928696  595161404432518 0    432221 0      C-13-H3C(O)CH3
  394003.8412  0.0119 -4.5692 3  279.6422520  595161404322012 0    312111 0      C-13-H3C(O)CH3
  394014.7502  0.0038 -3.3223 3  122.0853328 -5951614042019 1 0    1918 2 0      C-13-H3C(O)CH3
  394014.7502  0.0038 -3.3223 3  122.0853328 -5951614042019 2 0    1918 1 0      C-13-H3C(O)CH3
  394028.8897  0.0069 -5.9930 3  234.6129488  595161404301515 0    301218 0      C-13-H3C(O)CH3
  394035.8881  0.0409 -6.4265 3  434.2658316  595161404392811 3    392514 3      C-13-H3C(O)CH3
  394038.4346  0.0205 -6.5448 3  283.3162252  5951614043125 7 4    312210 4      C-13-H3C(O)CH3
  394051.8107  0.0051 -3.7801 3  140.7350376 -5951614042315 9 0    2214 8 0      C-13-H3C(O)CH3
  394053.5851  0.0272 -5.9084 3  528.0095340  5951614044234 9 4    4135 7 4      C-13-H3C(O)CH3
  394061.2261  0.0133 -6.0466 3  551.6898428  59516140453 746 4    53 647 4      C-13-H3C(O)CH3
  394061.2261  0.0133 -6.4550 3  551.6898428  59516140453 846 4    53 747 4      C-13-H3C(O)CH3
  394061.2261  0.0133 -4.8730 3  551.6898428  59516140453 746 4    53 747 4      C-13-H3C(O)CH3
  394061.2261  0.0133 -4.8556 3  551.6898428  59516140453 846 4    53 647 4      C-13-H3C(O)CH3
  394061.6404  0.0131 -4.8453 3  551.6898428  59516140453 846 3    53 747 3      C-13-H3C(O)CH3
  394061.6404  0.0131 -4.8453 3  551.6898428  59516140453 746 3    53 647 3      C-13-H3C(O)CH3
  394082.4863  0.0177 -6.2525 3  283.3588504  5951614043125 6 1    3122 9 1      C-13-H3C(O)CH3
  394141.2232  0.0023 -4.4743 3  257.4997300  59516140437 533 4    36 532 4      C-13-H3C(O)CH3
  394141.2232  0.0023 -4.4743 3  257.4997300  59516140437 433 4    36 432 4      C-13-H3C(O)CH3
  394141.2313  0.0023 -3.6480 3  257.4996300  59516140437 533 3    36 532 3      C-13-H3C(O)CH3
  394141.2313  0.0023 -3.6480 3  257.4996300  59516140437 433 3    36 432 3      C-13-H3C(O)CH3
  394141.2566  0.0023 -3.7175 3  257.4997300 -59516140437 533 4    36 432 4      C-13-H3C(O)CH3
  394141.2566  0.0023 -6.5140 3  257.4996300 -59516140437 433 3    36 532 3      C-13-H3C(O)CH3
  394141.2566  0.0023 -3.7175 3  257.4997300 -59516140437 433 4    36 532 4      C-13-H3C(O)CH3
  394141.2566  0.0023 -6.5140 3  257.4996300 -59516140437 533 3    36 432 3      C-13-H3C(O)CH3
  394178.9906  0.0149 -5.3561 3  551.7128856  59516140453 746 2    53 747 2      C-13-H3C(O)CH3
  394178.9906  0.0149 -4.6161 3  551.7128856  59516140453 746 2    53 647 2      C-13-H3C(O)CH3
  394178.9906  0.0149 -5.3561 3  551.7128856  59516140453 846 2    53 647 2      C-13-H3C(O)CH3
  394178.9906  0.0149 -4.6161 3  551.7128856  59516140453 846 2    53 747 2      C-13-H3C(O)CH3
  394179.0794  0.0151 -4.9106 3  551.7132856  59516140453 846 1    53 647 1      C-13-H3C(O)CH3
  394179.0794  0.0151 -4.7873 3  551.7132856  59516140453 846 1    53 747 1      C-13-H3C(O)CH3
  394179.0794  0.0151 -4.9106 3  551.7132856  59516140453 746 1    53 747 1      C-13-H3C(O)CH3
  394179.0794  0.0151 -4.7873 3  551.7132856  59516140453 746 1    53 647 1      C-13-H3C(O)CH3
  394182.5226  0.0028 -3.3622 3  257.4880600 -59516140437 533 1    36 532 1      C-13-H3C(O)CH3
  394182.5226  0.0028 -4.7909 3  257.4880600 -59516140437 433 1    36 532 1      C-13-H3C(O)CH3
  394182.6855  0.0028 -4.7909 3  257.4880600  59516140437 533 1    36 432 1      C-13-H3C(O)CH3
  394182.6855  0.0028 -3.3622 3  257.4880600  59516140437 433 1    36 432 1      C-13-H3C(O)CH3
  394182.9622  0.0028 -5.9814 3  257.4875600  59516140437 433 2    36 432 2      C-13-H3C(O)CH3
  394182.9622  0.0028 -3.3473 3  257.4875600  59516140437 533 2    36 432 2      C-13-H3C(O)CH3
  394183.0610  0.0028 -3.3473 3  257.4875600 -59516140437 433 2    36 532 2      C-13-H3C(O)CH3
  394183.0610  0.0028 -5.9814 3  257.4875600 -59516140437 533 2    36 532 2      C-13-H3C(O)CH3
  394183.4640  0.2587 -6.0318 3  847.5727888  595161404553619 0    553322 0      C-13-H3C(O)CH3
  394210.2899  0.0077 -6.2959 3  234.5823244  595161404301615 3    301318 3      C-13-H3C(O)CH3
  394210.3424  0.0086 -6.2959 3  234.5823244  595161404301615 4    301318 4      C-13-H3C(O)CH3
  394217.5204  0.0195 -6.5615 3  283.3201252  5951614043125 6 3    312210 3      C-13-H3C(O)CH3
  394224.3249  0.0023 -4.1471 3  257.4759600  59516140437 433 0    36 432 0      C-13-H3C(O)CH3
  394224.3249  0.0023 -4.1471 3  257.4759600  59516140437 533 0    36 532 0      C-13-H3C(O)CH3
  394224.3376  0.0023 -3.4210 3  257.4759600 -59516140437 433 0    36 532 0      C-13-H3C(O)CH3
  394224.3376  0.0023 -3.4210 3  257.4759600 -59516140437 533 0    36 432 0      C-13-H3C(O)CH3
  394253.7888  0.0075 -5.9939 3  234.5964488  595161404301615 2    301318 2      C-13-H3C(O)CH3
  394264.4183  0.0206 -4.8804 3  279.5963260  595161404322012 4    312111 4      C-13-H3C(O)CH3
  394271.4884  0.0430 -5.3561 3 1129.8566B12  595161404692347 0    692248 0      C-13-H3C(O)CH3
  394271.4884  0.0430 -6.0682 3 1129.8566B12  595161404692247 0    692248 0      C-13-H3C(O)CH3
  394271.4884  0.0430 -5.3561 3 1129.8566B12  595161404692247 0    692148 0      C-13-H3C(O)CH3
  394271.4884  0.0430 -6.0682 3 1129.8566B12  595161404692347 0    692148 0      C-13-H3C(O)CH3
  394272.3659  0.0192 -4.8789 3  279.5968260  595161404322012 3    312111 3      C-13-H3C(O)CH3
  394281.2437  0.0169 -5.7047 3  485.4539680  595161404422617 0    422320 0      C-13-H3C(O)CH3
  394296.2181  0.0115 -4.5489 3  551.7361856 -59516140453 846 0    53 747 0      C-13-H3C(O)CH3
  394296.2181  0.0115 -4.5489 3  551.7361856 -59516140453 746 0    53 647 0      C-13-H3C(O)CH3
  394296.2695  0.0115 -6.4293 3  551.7361856  59516140453 846 0    53 647 0      C-13-H3C(O)CH3
  394296.2695  0.0115 -6.4293 3  551.7361856  59516140453 746 0    53 747 0      C-13-H3C(O)CH3
  394318.0869  0.0488 -5.8401 3 1129.8695B12  595161404692247 1    692148 1      C-13-H3C(O)CH3
  394318.0869  0.0488 -5.4184 3 1129.8695B12  595161404692247 1    692248 1      C-13-H3C(O)CH3
  394318.0869  0.0488 -5.8401 3 1129.8695B12  595161404692347 1    692248 1      C-13-H3C(O)CH3
  394318.0869  0.0488 -5.4184 3 1129.8695B12  595161404692347 1    692148 1      C-13-H3C(O)CH3
  394321.4131  0.0075 -5.9936 3  234.5989488  595161404301615 1    301318 1      C-13-H3C(O)CH3
  394322.7560  0.0526 -5.2805 3 1129.8701B12  595161404692347 2    692148 2      C-13-H3C(O)CH3
  394322.7560  0.0526 -5.2805 3 1129.8701B12  595161404692247 2    692248 2      C-13-H3C(O)CH3
  394326.2429  0.0373 -6.0989 3  519.7566348  595161404432915 3    432618 3      C-13-H3C(O)CH3
  394334.1765  0.0365 -6.1258 3  434.2844632  595161404392811 2    392514 2      C-13-H3C(O)CH3
  394341.4904  0.0289 -6.7278 3  335.4048276  5951614043426 9 4    342311 4      C-13-H3C(O)CH3
  394364.9097  0.0069 -5.9924 3  234.6130488  595161404301615 0    301318 0      C-13-H3C(O)CH3
  394369.4429  0.0418 -5.5866 3 1129.8829556  595161404692347 3    692148 3      C-13-H3C(O)CH3
  394369.4429  0.0418 -5.5866 3 1129.8829556  595161404692247 3    692248 3      C-13-H3C(O)CH3
  394369.5740  0.0419 -5.8839 3 1129.8830556  595161404692347 4    692148 4      C-13-H3C(O)CH3
  394369.5740  0.0419 -5.8779 3 1129.8830556  595161404692247 4    692148 4      C-13-H3C(O)CH3
  394369.5740  0.0419 -5.8779 3 1129.8830556  595161404692347 4    692248 4      C-13-H3C(O)CH3
  394369.5740  0.0419 -5.8839 3 1129.8830556  595161404692247 4    692248 4      C-13-H3C(O)CH3
  394393.0278  0.0140 -4.9091 3  519.7041420  59516140452 746 4    52 547 4      C-13-H3C(O)CH3
  394393.0278  0.0140 -4.9091 3  519.7041420  59516140452 646 4    52 647 4      C-13-H3C(O)CH3
  394393.0278  0.0140 -5.6838 3  519.7041420  59516140452 646 4    52 547 4      C-13-H3C(O)CH3
  394393.0278  0.0140 -5.6838 3  519.7041420  59516140452 746 4    52 647 4      C-13-H3C(O)CH3
  394393.4773  0.0136 -4.8564 3  519.7041420  59516140452 646 3    52 647 3      C-13-H3C(O)CH3
  394393.4773  0.0136 -6.3173 3  519.7041420  59516140452 646 3    52 547 3      C-13-H3C(O)CH3
  394393.4773  0.0136 -4.8564 3  519.7041420  59516140452 746 3    52 547 3      C-13-H3C(O)CH3
  394393.4773  0.0136 -6.3173 3  519.7041420  59516140452 746 3    52 647 3      C-13-H3C(O)CH3
  394393.8416  0.0277 -6.4271 3  392.1388300  595161404372711 4    372414 4      C-13-H3C(O)CH3
  394402.8130  0.0144 -4.5786 3  279.6166520  595161404322012 1    312111 1      C-13-H3C(O)CH3
  394408.9145  0.0194 -6.3619 3  283.3540504  5951614043125 7 2    312210 2      C-13-H3C(O)CH3
  394420.3442  0.0175 -6.2498 3  283.3390504  5951614043125 7 1    312210 1      C-13-H3C(O)CH3
  394430.1433  0.0210 -6.1616 3  392.1593600  595161404372711 1    372414 1      C-13-H3C(O)CH3
  394437.3367  0.0170 -5.7045 3  485.4328680  595161404422617 1    422320 1      C-13-H3C(O)CH3
  394459.6790  0.0245 -6.4975 3  335.4062276  5951614043426 8 3    342311 3      C-13-H3C(O)CH3
  394466.0976  0.0186 -6.3658 3  283.3621504  5951614043125 6 2    3122 9 2      C-13-H3C(O)CH3
  394476.7622  0.0199 -6.3034 3  335.4240552  5951614043426 9 1    342311 1      C-13-H3C(O)CH3
  394487.0503  0.0161 -5.7048 3  485.4286680  595161404422617 2    422320 2      C-13-H3C(O)CH3
  394522.8234  0.0207 -6.3673 3  335.4240552  5951614043426 8 1    342311 1      C-13-H3C(O)CH3
  394524.4212  0.0409 -6.4121 3  434.2672316  595161404392811 4    392514 4      C-13-H3C(O)CH3
  394550.1493  0.0275 -6.5592 3  335.4048276  5951614043426 8 4    342311 4      C-13-H3C(O)CH3
  394576.7386  0.0145 -4.5731 3  519.7205840  59516140452 646 1    52 647 1      C-13-H3C(O)CH3
  394576.7386  0.0145 -5.6767 3  519.7205840  59516140452 646 1    52 547 1      C-13-H3C(O)CH3
  394576.7386  0.0145 -4.5731 3  519.7205840  59516140452 746 1    52 547 1      C-13-H3C(O)CH3
  394576.7386  0.0145 -5.6767 3  519.7205840  59516140452 746 1    52 647 1      C-13-H3C(O)CH3
  394576.7561  0.0139 -6.4617 3  519.7201840  59516140452 746 2    52 647 2      C-13-H3C(O)CH3
  394576.7561  0.0139 -4.5453 3  519.7201840  59516140452 746 2    52 547 2      C-13-H3C(O)CH3
  394576.7561  0.0139 -6.4617 3  519.7201840  59516140452 646 2    52 547 2      C-13-H3C(O)CH3
  394576.7561  0.0139 -4.5453 3  519.7201840  59516140452 646 2    52 647 2      C-13-H3C(O)CH3
  394602.6511  0.0301 -6.4410 3  519.7765696  595161404432914 1    432618 1      C-13-H3C(O)CH3
  394625.7707  0.8612 -6.3322 3 1175.2017A48  595161404654124 2    653827 2      C-13-H3C(O)CH3
  394628.3093  0.0142 -6.0057 3  485.4074340  595161404422617 4    422320 4      C-13-H3C(O)CH3
  394632.4725  0.0180 -6.2387 3  283.3820504  5951614043125 6 0    3122 9 0      C-13-H3C(O)CH3
  394656.4907  0.0142 -6.0054 3  485.4074340  595161404422617 3    422320 3      C-13-H3C(O)CH3
  394699.1159  0.0285 -6.4387 3  392.1399300  595161404372711 3    372414 3      C-13-H3C(O)CH3
  394699.4124  0.0160 -4.8686 3  488.3100412  59516140451 546 4    51 447 4      C-13-H3C(O)CH3
  394699.4124  0.0160 -6.2719 3  488.3100412  59516140451 646 4    51 447 4      C-13-H3C(O)CH3
  394699.4124  0.0160 -6.2719 3  488.3100412  59516140451 546 4    51 547 4      C-13-H3C(O)CH3
  394699.4124  0.0160 -4.8686 3  488.3100412  59516140451 646 4    51 547 4      C-13-H3C(O)CH3
  394699.8392  0.0154 -5.9788 3  488.3099412  59516140451 646 3    51 547 3      C-13-H3C(O)CH3
  394699.8392  0.0154 -4.8855 3  488.3099412  59516140451 546 3    51 547 3      C-13-H3C(O)CH3
  394699.8392  0.0154 -5.9788 3  488.3099412  59516140451 546 3    51 447 3      C-13-H3C(O)CH3
  394699.8392  0.0154 -4.8855 3  488.3099412  59516140451 646 3    51 447 3      C-13-H3C(O)CH3
  394705.2693  0.0242 -6.1356 3  392.1602600  595161404372711 2    372414 2      C-13-H3C(O)CH3
  394705.4710  0.0255 -6.4861 3  335.4299552  5951614043426 9 2    342311 2      C-13-H3C(O)CH3
  394749.1546  0.0190 -5.8901 3  392.1799600  595161404372711 0    372414 0      C-13-H3C(O)CH3
  394752.4067  0.0975 -6.3406 3 1561.3682636  595161404793148 4    793149 4      C-13-H3C(O)CH3
  394752.4067  0.0975 -6.3406 3 1561.3682636  595161404793248 4    793049 4      C-13-H3C(O)CH3
  394752.4476  0.0976 -6.3379 3 1561.3681636  595161404793148 3    793049 3      C-13-H3C(O)CH3
  394752.4476  0.0976 -6.3379 3 1561.3681636  595161404793248 3    793149 3      C-13-H3C(O)CH3
  394759.6979  0.0117 -4.6367 3  519.7365840 -59516140452 746 0    52 647 0      C-13-H3C(O)CH3
  394759.6979  0.0117 -4.6367 3  519.7365840 -59516140452 646 0    52 547 0      C-13-H3C(O)CH3
  394759.7450  0.0117 -5.2381 3  519.7365840  59516140452 646 0    52 647 0      C-13-H3C(O)CH3
  394759.7450  0.0117 -5.2381 3  519.7365840  59516140452 746 0    52 547 0      C-13-H3C(O)CH3
  394766.3828  0.0224 -6.2210 3  392.1593600  595161404372710 1    372414 1      C-13-H3C(O)CH3
  394785.7922  0.1104 -6.0512 3 1561.3498C72  595161404793148 1    793049 1      C-13-H3C(O)CH3
  394785.7922  0.1104 -6.0512 3 1561.3498C72  595161404793248 1    793149 1      C-13-H3C(O)CH3
  394787.7709  0.1055 -6.0377 3 1561.3528C72  595161404793248 2    793049 2      C-13-H3C(O)CH3
  394787.7709  0.1055 -6.0377 3 1561.3528C72  595161404793148 2    793149 2      C-13-H3C(O)CH3
  394821.1052  0.1148 -6.0367 3 1561.3345C72  595161404793248 0    793149 0      C-13-H3C(O)CH3
  394821.1052  0.1148 -6.0364 3 1561.3345C72  595161404793148 0    793049 0      C-13-H3C(O)CH3
  394840.7610  0.0179 -6.2383 3  283.3751504  5951614043125 7 0    312210 0      C-13-H3C(O)CH3
  394859.8064  0.0275 -6.4543 3  124.7618172  5951614042117 5 3    2016 4 3      C-13-H3C(O)CH3
  394862.6740  0.0182 -6.0344 3  335.4481552  5951614043426 8 0    342311 0      C-13-H3C(O)CH3
  394864.2997  0.0226 -6.2245 3  335.4299552  5951614043426 8 2    342311 2      C-13-H3C(O)CH3
  394889.6221  0.4533 -6.3821 3  908.8604460  595161404573720 3    573423 3      C-13-H3C(O)CH3
  394904.9403  0.2510 -6.7488 3 1944.7387E00  595161404873949 2    873750 2      C-13-H3C(O)CH3
  394904.9403  0.2510 -6.7501 3 1944.7387E00  595161404873849 2    873850 2      C-13-H3C(O)CH3
  394912.8667  0.2809 -6.7486 3 1944.7359E00  595161404873849 1    873850 1      C-13-H3C(O)CH3
  394912.8667  0.2809 -6.7495 3 1944.7359E00  595161404873949 1    873750 1      C-13-H3C(O)CH3
  394939.6263  0.0100 -5.7745 3  349.7496584  595161404362116 0    361819 0      C-13-H3C(O)CH3
  394959.8548  0.0111 -5.7749 3  349.7213584  595161404362116 2    361819 2      C-13-H3C(O)CH3
  394959.8896  0.0328 -6.5539 3  392.1399300  595161404372710 3    372414 3      C-13-H3C(O)CH3
  394960.4955  0.0150 -5.7391 3  488.3167824  59516140451 546 1    51 547 1      C-13-H3C(O)CH3
  394960.4955  0.0150 -5.7391 3  488.3167824  59516140451 646 1    51 447 1      C-13-H3C(O)CH3
  394960.5739  0.0137 -4.5548 3  488.3163824  59516140451 646 2    51 447 2      C-13-H3C(O)CH3
  394960.5739  0.0137 -4.5548 3  488.3163824  59516140451 546 2    51 547 2      C-13-H3C(O)CH3
  394960.7357  0.0137 -6.5133 3  488.3163824 -59516140451 646 2    51 547 2      C-13-H3C(O)CH3
  394960.7357  0.0150 -4.5792 3  488.3167824 -59516140451 646 1    51 547 1      C-13-H3C(O)CH3
  394960.7357  0.0150 -4.5792 3  488.3167824 -59516140451 546 1    51 447 1      C-13-H3C(O)CH3
  394960.7357  0.0137 -6.5133 3  488.3163824 -59516140451 546 2    51 447 2      C-13-H3C(O)CH3
  394980.5424  0.0196 -4.8809 3  457.5084404  59516140450 546 4    50 347 4      C-13-H3C(O)CH3
  394980.5424  0.0196 -4.8809 3  457.5084404  59516140450 446 4    50 447 4      C-13-H3C(O)CH3
  394980.8568  0.0189 -4.8832 3  457.5083404  59516140450 446 3    50 447 3      C-13-H3C(O)CH3
  394980.8568  0.0189 -4.8832 3  457.5083404  59516140450 546 3    50 347 3      C-13-H3C(O)CH3
  394982.2831  0.0031 -3.7505 3  124.8225172  5951614042117 4 4    2016 4 4      C-13-H3C(O)CH3
  394989.6575  0.0408 -6.2655 3 1088.5345A96  595161404682247 0    682048 0      C-13-H3C(O)CH3
  394989.6575  0.0408 -5.2504 3 1088.5345A96  595161404682247 0    682148 0      C-13-H3C(O)CH3
  394989.6575  0.0408 -6.2655 3 1088.5345A96  595161404682147 0    682148 0      C-13-H3C(O)CH3
  394989.6575  0.0408 -5.2504 3 1088.5345A96  595161404682147 0    682048 0      C-13-H3C(O)CH3
  394994.6486  0.6733 -6.3334 3 1175.1920A48  595161404654124 1    653827 1      C-13-H3C(O)CH3
  395026.8367  0.0108 -5.7747 3  349.7250584  595161404362116 1    361819 1      C-13-H3C(O)CH3
  395046.3458  0.0116 -6.0759 3  349.6967292  595161404362116 4    361819 4      C-13-H3C(O)CH3
  395047.7021  0.0113 -6.0759 3  349.6967292  595161404362116 3    361819 3      C-13-H3C(O)CH3
  395047.9452  0.0471 -6.6323 3 1088.5443A96  595161404682247 1    682148 1      C-13-H3C(O)CH3
  395047.9452  0.0471 -5.2269 3 1088.5443A96  595161404682247 1    682048 1      C-13-H3C(O)CH3
  395047.9452  0.0471 -5.2269 3 1088.5443A96  595161404682147 1    682148 1      C-13-H3C(O)CH3
  395047.9452  0.0471 -6.6323 3 1088.5443A96  595161404682147 1    682048 1      C-13-H3C(O)CH3
  395052.1824  0.0502 -5.2976 3 1088.5448A96  595161404682247 2    682048 2      C-13-H3C(O)CH3
  395052.1824  0.0502 -5.9492 3 1088.5448A96  595161404682247 2    682148 2      C-13-H3C(O)CH3
  395052.1824  0.0502 -5.2976 3 1088.5448A96  595161404682147 2    682148 2      C-13-H3C(O)CH3
  395052.1824  0.0502 -5.9492 3 1088.5448A96  595161404682147 2    682048 2      C-13-H3C(O)CH3
  395055.3890  0.0028 -3.7514 3  124.7618172  5951614042117 4 3    2016 4 3      C-13-H3C(O)CH3
  395090.0798  0.0030 -3.7511 3  124.7541172  5951614042117 5 3    2016 5 3      C-13-H3C(O)CH3
  395110.5674  0.0390 -5.6932 3 1088.5546548  595161404682147 3    682048 3      C-13-H3C(O)CH3
  395110.5674  0.0390 -5.9764 3 1088.5546548  595161404682147 3    682148 3      C-13-H3C(O)CH3
  395110.5674  0.0390 -5.6932 3 1088.5546548  595161404682247 3    682148 3      C-13-H3C(O)CH3
  395110.5674  0.0390 -5.9764 3 1088.5546548  595161404682247 3    682048 3      C-13-H3C(O)CH3
  395110.7169  0.0391 -5.5114 3 1088.5546548  595161404682147 4    682148 4      C-13-H3C(O)CH3
  395110.7169  0.0391 -5.5114 3 1088.5546548  595161404682247 4    682048 4      C-13-H3C(O)CH3
  395163.7996  0.0028 -3.7503 3  124.6935172 -5951614042117 5 4    2016 5 4      C-13-H3C(O)CH3
  395166.8372  0.0155 -5.3061 3  408.8465632  595161404392218 1    382315 1      C-13-H3C(O)CH3
  395190.4801  0.0494 -6.3003 3  519.7726696  595161404432914 2    432618 2      C-13-H3C(O)CH3
  395190.9208  0.0053 -5.3388 3   48.6503132  59516140416 412 3    15 313 3      C-13-H3C(O)CH3
  395190.9458  0.0053 -5.3388 3   48.6503132  59516140416 512 3    15 213 3      C-13-H3C(O)CH3
  395191.2249  0.0068 -5.3388 3   48.6503132  59516140416 412 4    15 313 4      C-13-H3C(O)CH3
  395191.2495  0.0068 -5.3388 3   48.6503132  59516140416 512 4    15 213 4      C-13-H3C(O)CH3
  395196.4210  0.0027 -3.4488 3  124.7993344 -5951614042117 4 1    2016 4 1      C-13-H3C(O)CH3
  395220.8069  0.0124 -4.5995 3  488.3230824  59516140451 646 0    51 447 0      C-13-H3C(O)CH3
  395220.8069  0.0124 -5.5120 3  488.3230824  59516140451 646 0    51 547 0      C-13-H3C(O)CH3
  395220.8069  0.0124 -5.5120 3  488.3230824  59516140451 546 0    51 447 0      C-13-H3C(O)CH3
  395220.8069  0.0124 -4.5995 3  488.3230824  59516140451 546 0    51 547 0      C-13-H3C(O)CH3
  395236.5997  0.0250 -5.2592 3  427.3003396  59516140449 446 4    49 347 4      C-13-H3C(O)CH3
  395236.5997  0.0250 -5.2220 3  427.3003396  59516140449 446 4    49 247 4      C-13-H3C(O)CH3
  395236.5997  0.0250 -5.2220 3  427.3003396  59516140449 346 4    49 347 4      C-13-H3C(O)CH3
  395236.5997  0.0250 -5.2592 3  427.3003396  59516140449 346 4    49 247 4      C-13-H3C(O)CH3
  395236.6712  0.0242 -6.4064 3  427.3003396  59516140449 446 3    49 247 3      C-13-H3C(O)CH3
  395236.6712  0.0242 -4.9542 3  427.3003396  59516140449 446 3    49 347 3      C-13-H3C(O)CH3
  395236.6712  0.0242 -4.9542 3  427.3003396  59516140449 346 3    49 247 3      C-13-H3C(O)CH3
  395236.6712  0.0242 -6.4064 3  427.3003396  59516140449 346 3    49 347 3      C-13-H3C(O)CH3
  395237.7160  0.0023 -4.4169 3  261.1510308  59516140438 435 3    37 334 3      C-13-H3C(O)CH3
  395237.7160  0.0023 -4.4169 3  261.1510308  59516140438 335 3    37 434 3      C-13-H3C(O)CH3
  395237.7224  0.0023 -4.4675 3  261.1510308  59516140438 335 4    37 434 4      C-13-H3C(O)CH3
  395237.7224  0.0023 -3.6905 3  261.1510308  59516140438 435 4    37 434 4      C-13-H3C(O)CH3
  395237.7321  0.0023 -3.6995 3  261.1510308 -59516140438 435 3    37 434 3      C-13-H3C(O)CH3
  395237.7321  0.0023 -4.4675 3  261.1510308 -59516140438 435 4    37 334 4      C-13-H3C(O)CH3
  395237.7321  0.0023 -3.6995 3  261.1510308 -59516140438 335 3    37 334 3      C-13-H3C(O)CH3
  395237.7321  0.0023 -3.6905 3  261.1510308 -59516140438 335 4    37 334 4      C-13-H3C(O)CH3
  395251.6781  0.0028 -3.4485 3  124.8049344 -5951614042117 4 2    2016 4 2      C-13-H3C(O)CH3
  395268.4631  0.0140 -5.3052 3  408.8656632  595161404392218 0    382315 0      C-13-H3C(O)CH3
  395274.3699  0.0028 -3.3273 3  261.1301616  59516140438 435 1    37 434 1      C-13-H3C(O)CH3
  395274.3699  0.0028 -3.3273 3  261.1301616  59516140438 335 1    37 334 1      C-13-H3C(O)CH3
  395274.4584  0.0028 -3.8546 3  261.1296616 -59516140438 335 2    37 434 2      C-13-H3C(O)CH3
  395274.4584  0.0028 -5.2587 3  261.1301616 -59516140438 335 1    37 434 1      C-13-H3C(O)CH3
  395274.4584  0.0028 -5.2587 3  261.1301616 -59516140438 435 1    37 334 1      C-13-H3C(O)CH3
  395274.4584  0.0028 -3.8546 3  261.1296616 -59516140438 435 2    37 334 2      C-13-H3C(O)CH3
  395274.5317  0.0028 -3.4731 3  261.1296616  59516140438 335 2    37 334 2      C-13-H3C(O)CH3
  395274.5317  0.0028 -3.4731 3  261.1296616  59516140438 435 2    37 434 2      C-13-H3C(O)CH3
  395285.6624  0.0272 -6.4536 3  124.7541172  5951614042117 4 3    2016 5 3      C-13-H3C(O)CH3
  395302.6446  0.0308 -6.2580 3  392.1602600  595161404372710 2    372414 2      C-13-H3C(O)CH3
  395303.4475  0.0027 -3.4486 3  124.7311344 -5951614042117 5 1    2016 5 1      C-13-H3C(O)CH3
  395311.0516  0.0023 -3.3811 3  261.1088616 -59516140438 435 0    37 434 0      C-13-H3C(O)CH3
  395311.0516  0.0023 -3.3907 3  261.1088616 -59516140438 335 0    37 334 0      C-13-H3C(O)CH3
  395311.0998  0.0023 -4.1575 3  261.1088616  59516140438 335 0    37 434 0      C-13-H3C(O)CH3
  395311.0998  0.0023 -4.2184 3  261.1088616  59516140438 435 0    37 334 0      C-13-H3C(O)CH3
  395324.4786  0.0027 -3.4486 3  124.7443344 -5951614042117 5 2    2016 5 2      C-13-H3C(O)CH3
  395329.0916  0.0362 -6.5701 3  392.1388300  595161404372710 4    372414 4      C-13-H3C(O)CH3
  395331.3254  0.0187 -5.1253 3  457.5023808  59516140450 446 1    50 447 1      C-13-H3C(O)CH3
  395331.3254  0.0187 -4.7242 3  457.5023808  59516140450 446 1    50 347 1      C-13-H3C(O)CH3
  395331.3254  0.0187 -5.1253 3  457.5023808  59516140450 546 1    50 347 1      C-13-H3C(O)CH3
  395331.3254  0.0187 -4.7242 3  457.5023808  59516140450 546 1    50 447 1      C-13-H3C(O)CH3
  395331.3688  0.0167 -4.6939 3  457.5019808  59516140450 546 2    50 447 2      C-13-H3C(O)CH3
  395331.3688  0.0167 -5.2121 3  457.5019808  59516140450 546 2    50 347 2      C-13-H3C(O)CH3
  395331.3688  0.0167 -4.6939 3  457.5019808  59516140450 446 2    50 347 2      C-13-H3C(O)CH3
  395331.3688  0.0167 -5.2121 3  457.5019808  59516140450 446 2    50 447 2      C-13-H3C(O)CH3
  395336.4468  0.0321 -6.1430 3  694.4771824  595161404512725 0    502822 0      C-13-H3C(O)CH3
  395362.3375  0.0022 -4.0394 3  203.1751228  595161404281414 3    271513 3      C-13-H3C(O)CH3
  395364.0933  0.0021 -4.0394 3  203.1751228  595161404281414 4    271513 4      C-13-H3C(O)CH3
  395371.5428  0.5544 -6.4571 3  908.8609460  595161404573720 4    573423 4      C-13-H3C(O)CH3
  395397.9233  0.0219 -5.6025 3  408.8109316  595161404392218 3    382315 3      C-13-H3C(O)CH3
  395399.7407  0.0214 -5.6025 3  408.8108316  595161404392218 4    382315 4      C-13-H3C(O)CH3
  395440.0142  0.0022 -3.7389 3  203.1827456 -595161404281414 2    271513 2      C-13-H3C(O)CH3
  395443.3449  0.0023 -3.7385 3  203.1877456 -595161404281414 1    271513 1      C-13-H3C(O)CH3
  395454.9283  0.0028 -3.4478 3  124.7819344 -5951614042117 5 0    2016 4 0      C-13-H3C(O)CH3
  395467.4446  0.0316 -5.0574 3  397.6868388  59516140448 246 3    48 247 3      C-13-H3C(O)CH3
  395467.4446  0.0316 -5.0574 3  397.6868388  59516140448 346 3    48 147 3      C-13-H3C(O)CH3
  395467.7979  0.0324 -5.0501 3  397.6869388  59516140448 246 4    48 147 4      C-13-H3C(O)CH3
  395467.7979  0.0324 -5.0501 3  397.6869388  59516140448 346 4    48 247 4      C-13-H3C(O)CH3
  395473.6344  0.0028 -3.4478 3  124.7814344 -5951614042117 4 0    2016 5 0      C-13-H3C(O)CH3
  395504.0178  0.0196 -5.3006 3  408.8299632  595161404392218 2    382315 2      C-13-H3C(O)CH3
  395509.2188  0.0310 -6.1415 3  694.4649824  595161404512725 1    502822 1      C-13-H3C(O)CH3
  395520.3046  0.0021 -3.7390 3  203.1953456 -595161404281414 0    271513 0      C-13-H3C(O)CH3
  395565.2425  0.0066 -5.0364 3   48.5920264  59516140416 412 2    15 313 2      C-13-H3C(O)CH3
  395565.2686  0.0066 -5.0364 3   48.5920264  59516140416 512 2    15 213 2      C-13-H3C(O)CH3
  395572.8900  0.0064 -5.0366 3   48.5926264  59516140416 412 1    15 313 1      C-13-H3C(O)CH3
  395572.9151  0.0064 -5.0366 3   48.5926264  59516140416 512 1    15 213 1      C-13-H3C(O)CH3
  395598.1039  0.0527 -6.1400 3  694.4607824  595161404512725 2    502822 2      C-13-H3C(O)CH3
  395664.4616  0.0020 -3.9523 3  212.6110236 -595161404291316 3    281415 3      C-13-H3C(O)CH3
  395664.4616  0.0020 -3.9523 3  212.6110236 -595161404291316 4    281415 4      C-13-H3C(O)CH3
  395673.3707  0.0415 -5.2951 3  368.6689380  59516140447 246 3    47 047 3      C-13-H3C(O)CH3
  395673.3707  0.0415 -5.2951 3  368.6689380  59516140447 146 3    47 147 3      C-13-H3C(O)CH3
  395674.3946  0.0422 -5.2970 3  368.6689380  59516140447 246 4    47 047 4      C-13-H3C(O)CH3
  395674.3946  0.0422 -5.2970 3  368.6689380  59516140447 146 4    47 147 4      C-13-H3C(O)CH3
  395678.0225  0.0383 -5.1486 3 1047.7884A80  595161404672147 0    672048 0      C-13-H3C(O)CH3
  395678.0225  0.0383 -5.1486 3 1047.7884A80  595161404672047 0    671948 0      C-13-H3C(O)CH3
  395681.2110  0.0154 -4.6566 3  457.4959808  59516140450 446 0    50 447 0      C-13-H3C(O)CH3
  395681.2110  0.0154 -5.3584 3  457.4959808  59516140450 446 0    50 347 0      C-13-H3C(O)CH3
  395681.2110  0.0154 -5.3584 3  457.4959808  59516140450 546 0    50 447 0      C-13-H3C(O)CH3
  395681.2110  0.0154 -4.6566 3  457.4959808  59516140450 546 0    50 347 0      C-13-H3C(O)CH3
  395690.0263  0.0247 -4.9715 3  427.2777792  59516140449 346 2    49 247 2      C-13-H3C(O)CH3
  395690.0263  0.0247 -4.9715 3  427.2777792  59516140449 446 2    49 347 2      C-13-H3C(O)CH3
  395690.0263  0.0247 -4.9066 3  427.2777792  59516140449 446 2    49 247 2      C-13-H3C(O)CH3
  395690.0263  0.0247 -4.9066 3  427.2777792  59516140449 346 2    49 347 2      C-13-H3C(O)CH3
  395690.1717  0.0271 -4.8466 3  427.2781792  59516140449 346 1    49 247 1      C-13-H3C(O)CH3
  395690.1717  0.0271 -4.8466 3  427.2781792  59516140449 446 1    49 347 1      C-13-H3C(O)CH3
  395690.1717  0.0271 -5.0538 3  427.2781792  59516140449 346 1    49 347 1      C-13-H3C(O)CH3
  395690.1717  0.0271 -5.0538 3  427.2781792  59516140449 446 1    49 247 1      C-13-H3C(O)CH3
  395697.9759  0.0044 -4.6829 3   78.1360148  59516140418 9 9 3    17 810 3      C-13-H3C(O)CH3
  395707.3150  0.0065 -4.6829 3   78.1361148  59516140418 9 9 4    17 810 4      C-13-H3C(O)CH3
  395719.6641  0.0020 -3.9522 3  212.6095236  595161404291416 4    281315 4      C-13-H3C(O)CH3
  395720.0621  0.0020 -3.9522 3  212.6095236  595161404291416 3    281315 3      C-13-H3C(O)CH3
  395729.8429  0.0022 -3.6513 3  212.6250472 -595161404291316 1    281415 1      C-13-H3C(O)CH3
  395739.8353  0.0022 -3.6515 3  212.6214472 -595161404291316 2    281415 2      C-13-H3C(O)CH3
  395747.5040  0.0449 -5.1438 3 1047.7947A80  595161404672147 1    671948 1      C-13-H3C(O)CH3
  395747.5040  0.0449 -5.1438 3 1047.7947A80  595161404672047 1    672048 1      C-13-H3C(O)CH3
  395751.2329  0.0473 -6.2018 3 1047.7950A80  595161404672047 2    672048 2      C-13-H3C(O)CH3
  395751.2329  0.0473 -5.1833 3 1047.7950A80  595161404672147 2    672048 2      C-13-H3C(O)CH3
  395751.2329  0.0473 -6.2018 3 1047.7950A80  595161404672147 2    671948 2      C-13-H3C(O)CH3
  395751.2329  0.0473 -5.1833 3 1047.7950A80  595161404672047 2    671948 2      C-13-H3C(O)CH3
  395760.2061  0.2590 -6.0822 3  847.5524888  595161404553619 1    553322 1      C-13-H3C(O)CH3
  395762.9312  0.0256 -6.5621 3  335.3574276  5951614043426 9 4    342312 4      C-13-H3C(O)CH3
  395771.2925  0.0532 -6.4397 3  694.4484412  595161404512725 4    502822 4      C-13-H3C(O)CH3
  395774.5546  0.0528 -6.4396 3  694.4483412  595161404512725 3    502822 3      C-13-H3C(O)CH3
  395784.4889  0.0022 -3.6512 3  212.6236472 -595161404291416 1    281315 1      C-13-H3C(O)CH3
  395796.3936  0.0022 -3.6514 3  212.6199472 -595161404291416 2    281315 2      C-13-H3C(O)CH3
  395804.6674  0.0876 -6.4050 3 1514.3196628  595161404783048 4    783049 4      C-13-H3C(O)CH3
  395804.6674  0.0876 -6.4050 3 1514.3196628  595161404783148 4    782949 4      C-13-H3C(O)CH3
  395804.6951  0.0876 -6.7566 3 1514.3195628  595161404783048 3    782949 3      C-13-H3C(O)CH3
  395804.6951  0.0876 -6.2503 3 1514.3195628  595161404783148 3    783049 3      C-13-H3C(O)CH3
  395804.6951  0.0876 -6.4124 3 1514.3195628  595161404783048 3    783049 3      C-13-H3C(O)CH3
  395805.0790  0.0020 -3.6515 3  212.6354472 -595161404291316 0    281415 0      C-13-H3C(O)CH3
  395820.8200  0.0364 -5.4453 3 1047.8012540  595161404672047 3    672048 3      C-13-H3C(O)CH3
  395820.8200  0.0364 -5.4453 3 1047.8012540  595161404672147 3    671948 3      C-13-H3C(O)CH3
  395820.9851  0.0365 -5.4444 3 1047.8012540  595161404672047 4    671948 4      C-13-H3C(O)CH3
  395820.9851  0.0365 -5.4444 3 1047.8012540  595161404672147 4    672048 4      C-13-H3C(O)CH3
  395831.1698  0.6973 -6.6354 3 1175.1867524  595161404654124 3    653827 3      C-13-H3C(O)CH3
  395832.8632  0.0948 -6.3275 3 1514.2997C56  595161404783048 1    782949 1      C-13-H3C(O)CH3
  395832.8632  0.0948 -6.1844 3 1514.2997C56  595161404783048 1    783049 1      C-13-H3C(O)CH3
  395832.8632  0.0948 -6.3275 3 1514.2997C56  595161404783148 1    783049 1      C-13-H3C(O)CH3
  395832.8632  0.0948 -6.1844 3 1514.2997C56  595161404783148 1    782949 1      C-13-H3C(O)CH3
  395835.8299  0.0928 -5.9663 3 1514.3025C56  595161404783048 2    783049 2      C-13-H3C(O)CH3
  395835.8299  0.0928 -5.9663 3 1514.3025C56  595161404783148 2    782949 2      C-13-H3C(O)CH3
  395847.4020  0.0048 -4.3812 3   78.1034296 -59516140418 9 9 2    17 810 2      C-13-H3C(O)CH3
  395849.0375  0.0234 -6.4965 3  335.3561276  5951614043426 9 3    342312 3      C-13-H3C(O)CH3
  395850.7920  0.0204 -5.4135 3  495.3417664  595161404413210 0    4033 7 0      C-13-H3C(O)CH3
  395850.8089  0.0204 -5.4135 3  495.3417664  5951614044132 9 0    4033 8 0      C-13-H3C(O)CH3
  395861.0859  0.0020 -3.6514 3  212.6339472 -595161404291416 0    281315 0      C-13-H3C(O)CH3
  395863.9992  0.0991 -6.2338 3 1514.2826C56  595161404783148 0    783049 0      C-13-H3C(O)CH3
  395863.9992  0.0991 -6.2668 3 1514.2826C56  595161404783148 0    782949 0      C-13-H3C(O)CH3
  395863.9992  0.0991 -6.2338 3 1514.2826C56  595161404783048 0    782949 0      C-13-H3C(O)CH3
  395863.9992  0.0991 -6.2668 3 1514.2826C56  595161404783048 0    783049 0      C-13-H3C(O)CH3
  395866.3211  0.0586 -6.5063 3  519.7561348  595161404432914 4    432618 4      C-13-H3C(O)CH3
  395888.0341  0.0201 -6.3666 3  335.3769552  5951614043426 9 1    342312 1      C-13-H3C(O)CH3
  395890.0261  0.7765 -6.6382 3 1175.1869524  595161404654124 4    653827 4      C-13-H3C(O)CH3
  395904.2331  0.0177 -5.2277 3  339.4542568  595161404352312 2    342410 2      C-13-H3C(O)CH3
  395917.8402  0.0046 -4.3812 3   78.1053296  59516140418 9 9 1    17 810 1      C-13-H3C(O)CH3
  395928.8936  0.0210 -5.4141 3  495.3375664  5951614044132 9 1    4033 7 1      C-13-H3C(O)CH3
  395934.0953  0.0196 -6.2990 3  335.3769552  5951614043426 8 1    342312 1      C-13-H3C(O)CH3
  395946.3678  0.0065 -5.0351 3   48.5344264  59516140416 412 0    15 313 0      C-13-H3C(O)CH3
  395946.3943  0.0065 -5.0351 3   48.5344264  59516140416 512 0    15 213 0      C-13-H3C(O)CH3
  395971.5902  0.0317 -6.7198 3  335.3574276  5951614043426 8 4    342312 4      C-13-H3C(O)CH3
  395992.9245  0.0260 -5.8263 3  567.1256744  595161404462522 0    452619 0      C-13-H3C(O)CH3
  395995.2297  0.0021 -3.8935 3  221.3733244 -595161404301218 3    291317 3      C-13-H3C(O)CH3
  395995.2297  0.0021 -3.8935 3  221.3733244 -595161404301218 4    291317 4      C-13-H3C(O)CH3
  395996.1084  0.0021 -3.8935 3  221.3733244 -595161404301318 3    291217 3      C-13-H3C(O)CH3
  395996.1084  0.0021 -3.8935 3  221.3733244 -595161404301318 4    291217 4      C-13-H3C(O)CH3
  396016.0953  0.0143 -4.4731 3  261.0255504  595161404311912 2    302011 2      C-13-H3C(O)CH3
  396037.3904  0.0378 -5.7318 3  397.6443776  59516140448 246 2    48 247 2      C-13-H3C(O)CH3
  396037.3904  0.0378 -4.7945 3  397.6443776  59516140448 246 2    48 147 2      C-13-H3C(O)CH3
  396037.3904  0.0378 -4.7945 3  397.6443776  59516140448 346 2    48 247 2      C-13-H3C(O)CH3
  396037.3904  0.0378 -5.7318 3  397.6443776  59516140448 346 2    48 147 2      C-13-H3C(O)CH3
  396037.9429  0.0404 -4.9939 3  397.6447776  59516140448 346 1    48 247 1      C-13-H3C(O)CH3
  396037.9429  0.0404 -4.9939 3  397.6447776  59516140448 246 1    48 147 1      C-13-H3C(O)CH3
  396037.9429  0.0404 -5.1103 3  397.6447776  59516140448 246 1    48 247 1      C-13-H3C(O)CH3
  396037.9429  0.0404 -5.1103 3  397.6447776  59516140448 346 1    48 147 1      C-13-H3C(O)CH3
  396053.7285  0.0023 -3.5924 3  221.3879488 -595161404301218 1    291317 1      C-13-H3C(O)CH3
  396055.1123  0.0023 -3.5924 3  221.3879488 -595161404301318 1    291217 1      C-13-H3C(O)CH3
  396059.8830  0.0023 -3.5926 3  221.3853488 -595161404301218 2    291317 2      C-13-H3C(O)CH3
  396060.6820  0.0023 -3.5926 3  221.3853488 -595161404301318 2    291217 2      C-13-H3C(O)CH3
  396062.4900  0.0047 -4.3805 3   78.0728296 -59516140418 9 9 0    17 810 0      C-13-H3C(O)CH3
  396073.8792  0.0203 -5.4666 3  339.4273284  595161404352312 3    342410 3      C-13-H3C(O)CH3
  396080.8101  0.4322 -6.0983 3  847.5485888  595161404553619 2    553322 2      C-13-H3C(O)CH3
  396099.8209  0.0197 -5.4126 3  495.3221664  595161404413210 2    4033 8 2      C-13-H3C(O)CH3
  396101.4423  0.0208 -5.4133 3  495.3040664  595161404413210 1    4033 8 1      C-13-H3C(O)CH3
  396117.9669  0.0021 -3.5926 3  221.3999488 -595161404301218 0    291317 0      C-13-H3C(O)CH3
  396118.8804  0.0021 -3.5926 3  221.3998488 -595161404301318 0    291217 0      C-13-H3C(O)CH3
  396142.0066  0.0044 -4.5981 3  129.4289180  5951614042215 8 4    2114 8 4      C-13-H3C(O)CH3
  396142.6274  0.0226 -4.6371 3  427.2555792  59516140449 446 0    49 247 0      C-13-H3C(O)CH3
  396142.6274  0.0226 -4.6371 3  427.2555792  59516140449 346 0    49 347 0      C-13-H3C(O)CH3
  396146.9369  0.0211 -6.2255 3  335.3818552  5951614043426 9 2    342312 2      C-13-H3C(O)CH3
  396151.9124  0.0124 -4.4731 3  261.0446504  595161404311912 0    302011 0      C-13-H3C(O)CH3
  396167.0092  0.0202 -5.6781 3  339.4239284  595161404352312 4    342410 4      C-13-H3C(O)CH3
  396173.5715  0.0205 -5.4133 3  495.3416664  5951614044132 9 2    4033 7 2      C-13-H3C(O)CH3
  396175.8484  0.0224 -5.7141 3  495.3179332  5951614044132 9 3    4033 7 3      C-13-H3C(O)CH3
  396183.4505  0.0248 -5.8249 3  567.1035744  595161404462522 1    452619 1      C-13-H3C(O)CH3
  396228.1891  0.0106 -4.7502 3  339.4635568  595161404352312 0    342411 0      C-13-H3C(O)CH3
  396250.4987  0.0179 -6.0320 3  335.4017552  5951614043426 9 0    342312 0      C-13-H3C(O)CH3
  396251.2107  0.0245 -5.7149 3  495.3374332  5951614044132 9 4    4033 7 4      C-13-H3C(O)CH3
  396263.2734  0.0179 -4.9256 3  339.4422568  595161404352312 2    342411 2      C-13-H3C(O)CH3
  396263.4592  0.0115 -5.8123 3  339.4411568  595161404352312 1    342410 1      C-13-H3C(O)CH3
  396279.3508  0.2552 -6.6638 3 1893.1746D84  595161404863849 1    863750 1      C-13-H3C(O)CH3
  396305.7656  0.0279 -6.4800 3  335.3818552  5951614043426 8 2    342312 2      C-13-H3C(O)CH3
  396314.6796  0.2586 -6.6516 3 1893.1748D84  595161404863849 0    863650 0      C-13-H3C(O)CH3
  396314.6796  0.2586 -6.6516 3 1893.1748D84  595161404863749 0    863750 0      C-13-H3C(O)CH3
  396338.3245  0.0356 -5.9372 3 1007.6193A64  595161404662047 0    661948 0      C-13-H3C(O)CH3
  396338.3245  0.0356 -5.1443 3 1007.6193A64  595161404662047 0    661848 0      C-13-H3C(O)CH3
  396338.3245  0.0356 -5.9372 3 1007.6193A64  595161404661947 0    661848 0      C-13-H3C(O)CH3
  396338.3245  0.0356 -5.1443 3 1007.6193A64  595161404661947 0    661948 0      C-13-H3C(O)CH3
  396342.5167  0.0025 -3.6125 3  264.2630316  59516140439 237 3    38 236 3      C-13-H3C(O)CH3
  396342.5167  0.0025 -5.1457 3  264.2630316  59516140439 337 3    38 236 3      C-13-H3C(O)CH3
  396342.5211  0.0025 -3.6009 3  264.2631316 -59516140439 337 4    38 336 4      C-13-H3C(O)CH3
  396342.5211  0.0025 -3.6125 3  264.2630316 -59516140439 337 3    38 336 3      C-13-H3C(O)CH3
  396342.5211  0.0025 -5.1457 3  264.2630316 -59516140439 237 3    38 336 3      C-13-H3C(O)CH3
  396342.5211  0.0025 -4.9264 3  264.2631316 -59516140439 237 4    38 336 4      C-13-H3C(O)CH3
  396342.5334  0.0025 -6.2556 3  264.2631316  59516140439 337 4    38 236 4      C-13-H3C(O)CH3
  396342.5334  0.0025 -3.6209 3  264.2631316  59516140439 237 4    38 236 4      C-13-H3C(O)CH3
  396348.1935  0.0220 -5.7133 3  495.2842332  595161404413210 4    4033 8 4      C-13-H3C(O)CH3
  396356.6011  0.0024 -6.1342 3  129.4378180  5951614042215 8 3    2114 8 3      C-13-H3C(O)CH3
  396372.1172  0.0028 -3.3383 3  264.2303632  59516140439 337 1    38 236 1      C-13-H3C(O)CH3
  396372.1172  0.0028 -4.3593 3  264.2303632  59516140439 237 1    38 236 1      C-13-H3C(O)CH3
  396372.1262  0.0028 -3.3383 3  264.2303632 -59516140439 237 1    38 336 1      C-13-H3C(O)CH3
  396372.1262  0.0028 -4.3593 3  264.2303632 -59516140439 337 1    38 336 1      C-13-H3C(O)CH3
  396372.1262  0.0028 -3.3082 3  264.2299632 -59516140439 237 2    38 236 2      C-13-H3C(O)CH3
  396372.1262  0.0028 -3.3082 3  264.2299632 -59516140439 337 2    38 336 2      C-13-H3C(O)CH3
  396372.2080  0.0028 -4.9663 3  264.2299632  59516140439 237 2    38 336 2      C-13-H3C(O)CH3
  396372.2080  0.0028 -4.9663 3  264.2299632  59516140439 337 2    38 236 2      C-13-H3C(O)CH3
  396374.2604  0.0562 -4.9835 3  368.6023760  59516140447 146 2    47 147 2      C-13-H3C(O)CH3
  396374.2604  0.0562 -4.9835 3  368.6023760  59516140447 246 2    47 047 2      C-13-H3C(O)CH3
  396375.5094  0.0589 -5.8596 3  368.6027760  59516140447 146 1    47 047 1      C-13-H3C(O)CH3
  396375.5094  0.0589 -5.0454 3  368.6027760  59516140447 146 1    47 147 1      C-13-H3C(O)CH3
  396375.5094  0.0589 -5.8596 3  368.6027760  59516140447 246 1    47 147 1      C-13-H3C(O)CH3
  396375.5094  0.0589 -5.0454 3  368.6027760  59516140447 246 1    47 047 1      C-13-H3C(O)CH3
  396401.6716  0.0023 -3.5833 3  264.1972632 -59516140439 237 0    38 336 0      C-13-H3C(O)CH3
  396401.6716  0.0023 -3.6167 3  264.1972632 -59516140439 337 0    38 336 0      C-13-H3C(O)CH3
  396401.7336  0.0023 -3.5833 3  264.1972632  59516140439 337 0    38 236 0      C-13-H3C(O)CH3
  396401.7336  0.0023 -3.6167 3  264.1972632  59516140439 237 0    38 236 0      C-13-H3C(O)CH3
  396418.0508  0.0420 -5.2144 3 1007.6216A64  595161404662047 1    661848 1      C-13-H3C(O)CH3
  396418.0508  0.0420 -5.6519 3 1007.6216A64  595161404661947 1    661848 1      C-13-H3C(O)CH3
  396418.0508  0.0420 -5.6519 3 1007.6216A64  595161404662047 1    661948 1      C-13-H3C(O)CH3
  396418.0508  0.0420 -5.2144 3 1007.6216A64  595161404661947 1    661948 1      C-13-H3C(O)CH3
  396421.2212  0.0438 -5.1916 3 1007.6217A64  595161404661947 2    661948 2      C-13-H3C(O)CH3
  396421.2212  0.0438 -5.7216 3 1007.6217A64  595161404662047 2    661948 2      C-13-H3C(O)CH3
  396421.2212  0.0438 -5.1916 3 1007.6217A64  595161404662047 2    661848 2      C-13-H3C(O)CH3
  396421.2212  0.0438 -5.7216 3 1007.6217A64  595161404661947 2    661848 2      C-13-H3C(O)CH3
  396422.0698  0.0223 -5.7141 3  495.3039332  595161404413210 3    4033 8 3      C-13-H3C(O)CH3
  396428.8512  0.0192 -5.1672 3  339.4152284  595161404352312 4    342411 4      C-13-H3C(O)CH3
  396433.1837  0.0180 -4.7745 3  261.0033252  595161404311912 3    302011 3      C-13-H3C(O)CH3
  396434.8405  0.0031 -4.6848 3  129.4305360 -5951614042215 8 1    2114 8 1      C-13-H3C(O)CH3
  396437.0001  0.0466 -5.8221 3  567.0920744  595161404462522 2    452619 2      C-13-H3C(O)CH3
  396448.3018  0.0202 -4.7776 3  261.0023252  595161404311912 4    302011 4      C-13-H3C(O)CH3
  396462.5141  0.0126 -4.7891 3  339.4345568  595161404352312 1    342411 1      C-13-H3C(O)CH3
  396467.6454  0.0255 -5.7259 3  563.3198728  595161404452917 0    452620 0      C-13-H3C(O)CH3
  396501.0603  0.0340 -5.3832 3 1007.6240532  595161404662047 3    661948 3      C-13-H3C(O)CH3
  396501.0603  0.0340 -5.3832 3 1007.6240532  595161404661947 3    661848 3      C-13-H3C(O)CH3
  396501.2370  0.0341 -5.3878 3 1007.6240532  595161404661947 4    661948 4      C-13-H3C(O)CH3
  396501.2370  0.0341 -5.3984 3 1007.6240532  595161404662047 4    661948 4      C-13-H3C(O)CH3
  396516.2629  0.0028 -4.9009 3  129.4317360  5951614042215 8 2    2114 8 2      C-13-H3C(O)CH3
  396535.6240  0.0229 -5.2605 3  339.4119284  595161404352312 3    342411 3      C-13-H3C(O)CH3
  396539.3559  0.0401 -6.0577 3  549.9007364  595161404452520 3    442817 3      C-13-H3C(O)CH3
  396568.0447  0.0143 -4.4749 3  261.0222504  595161404311912 1    302011 1      C-13-H3C(O)CH3
  396606.6232  0.0348 -4.8109 3  397.6022776  59516140448 346 0    48 147 0      C-13-H3C(O)CH3
  396606.6232  0.0348 -5.5997 3  397.6022776  59516140448 346 0    48 247 0      C-13-H3C(O)CH3
  396606.6232  0.0348 -4.8109 3  397.6022776  59516140448 246 0    48 247 0      C-13-H3C(O)CH3
  396606.6232  0.0348 -5.5997 3  397.6022776  59516140448 246 0    48 147 0      C-13-H3C(O)CH3
  396622.0337  0.0479 -6.1218 3  567.0700372  595161404462522 4    452619 4      C-13-H3C(O)CH3
  396631.3689  0.0475 -6.1218 3  567.0698372  595161404462522 3    452619 3      C-13-H3C(O)CH3
  396666.5100  0.0364 -6.0611 3  549.8965364  595161404452520 4    442817 4      C-13-H3C(O)CH3
  396669.6966  0.0022 -3.8471 3  229.5138252 -595161404311220 4    301119 4      C-13-H3C(O)CH3
  396669.6966  0.0022 -3.8471 3  229.5138252 -595161404311120 3    301219 3      C-13-H3C(O)CH3
  396669.6966  0.0022 -3.8471 3  229.5138252 -595161404311120 4    301219 4      C-13-H3C(O)CH3
  396669.8567  0.0022 -3.8471 3  229.5138252  595161404311220 3    301119 3      C-13-H3C(O)CH3
  396723.8494  0.0025 -3.5460 3  229.5283504 -595161404311120 1    301219 1      C-13-H3C(O)CH3
  396723.8494  0.0025 -3.5460 3  229.5283504 -595161404311220 1    301119 1      C-13-H3C(O)CH3
  396728.0070  0.0024 -3.5461 3  229.5262504 -595161404311220 2    301119 2      C-13-H3C(O)CH3
  396728.0070  0.0024 -3.5461 3  229.5262504 -595161404311120 2    301219 2      C-13-H3C(O)CH3
  396735.7105  0.0233 -5.7287 3  563.3040728  595161404452917 1    452620 1      C-13-H3C(O)CH3
  396782.0319  0.0021 -3.5461 3  229.5407504 -595161404311120 0    301219 0      C-13-H3C(O)CH3
  396782.0319  0.0021 -3.5461 3  229.5407504 -595161404311220 0    301119 0      C-13-H3C(O)CH3
  396787.7591  0.0061 -6.6193 3   38.0219216  59516140413 9 5 1    12 4 8 1      C-13-H3C(O)CH3
  396792.8308  0.1869 -5.9944 3  788.3671856  595161404533518 0    533221 0      C-13-H3C(O)CH3
  396815.6070  0.0790 -6.2199 3 1467.8352620  595161404773048 4    772949 4      C-13-H3C(O)CH3
  396815.6070  0.0790 -6.2270 3 1467.8352620  595161404772948 4    772849 4      C-13-H3C(O)CH3
  396815.6197  0.0789 -6.4869 3 1467.8352620  595161404773048 3    772949 3      C-13-H3C(O)CH3
  396815.6197  0.0789 -6.4464 3 1467.8352620  595161404773048 3    772849 3      C-13-H3C(O)CH3
  396815.6197  0.0789 -6.4464 3 1467.8352620  595161404772948 3    772949 3      C-13-H3C(O)CH3
  396815.6197  0.0789 -6.4869 3 1467.8352620  595161404772948 3    772849 3      C-13-H3C(O)CH3
  396837.4418  0.0818 -5.8640 3 1467.8142C40  595161404772948 1    772849 1      C-13-H3C(O)CH3
  396837.4418  0.0818 -5.8640 3 1467.8142C40  595161404773048 1    772949 1      C-13-H3C(O)CH3
  396841.2450  0.0824 -5.8741 3 1467.8168C40  595161404773048 2    772849 2      C-13-H3C(O)CH3
  396841.2450  0.0824 -5.8858 3 1467.8168C40  595161404772948 2    772949 2      C-13-H3C(O)CH3
  396855.7541  0.0417 -5.7554 3  549.9088728  595161404452520 2    442817 2      C-13-H3C(O)CH3
  396856.5409  0.0066 -6.6172 3   38.0209216  59516140413 9 5 2    12 4 8 2      C-13-H3C(O)CH3
  396863.0798  0.0857 -6.1146 3 1467.7958C40  595161404772948 0    772949 0      C-13-H3C(O)CH3
  396863.0798  0.0857 -6.2219 3 1467.7958C40  595161404772948 0    772849 0      C-13-H3C(O)CH3
  396863.0798  0.0857 -6.2219 3 1467.7958C40  595161404773048 0    772949 0      C-13-H3C(O)CH3
  396863.0798  0.0857 -6.1146 3 1467.7958C40  595161404773048 0    772849 0      C-13-H3C(O)CH3
  396908.4555  0.0279 -5.7330 3  563.2998728  595161404452917 2    452620 2      C-13-H3C(O)CH3
  396911.0348  0.0115 -4.2142 3  225.8135472 -595161404291712 2    281811 2      C-13-H3C(O)CH3
  396926.8996  0.1662 -6.7402 3  788.3476856  595161404533519 1    533221 1      C-13-H3C(O)CH3
  396972.3296  0.0326 -5.6760 3  968.0281A48  595161404651947 0    651748 0      C-13-H3C(O)CH3
  396972.3296  0.0326 -5.1252 3  968.0281A48  595161404651947 0    651848 0      C-13-H3C(O)CH3
  396972.3296  0.0326 -5.1340 3  968.0281A48  595161404651847 0    651748 0      C-13-H3C(O)CH3
  396972.3296  0.0326 -5.6460 3  968.0281A48  595161404651847 0    651848 0      C-13-H3C(O)CH3
  396996.3687  0.0172 -6.7099 3  251.2837244  5951614043021 9 3    301614 3      C-13-H3C(O)CH3
  397012.8931  0.0106 -4.2142 3  225.8294472 -595161404291712 0    281811 0      C-13-H3C(O)CH3
  397052.2115  0.0138 -6.4487 3  251.3051488  5951614043021 9 1    301614 1      C-13-H3C(O)CH3
  397053.9398  0.0227 -6.0441 3  563.2838364  595161404452917 4    452620 4      C-13-H3C(O)CH3
  397060.8396  0.0387 -5.0255 3  968.0261A48  595161404651947 1    651748 1      C-13-H3C(O)CH3
  397060.8396  0.0387 -6.7064 3  968.0261A48  595161404651947 1    651848 1      C-13-H3C(O)CH3
  397060.8396  0.0387 -6.7469 3  968.0261A48  595161404651847 1    651748 1      C-13-H3C(O)CH3
  397060.8396  0.0387 -5.0263 3  968.0261A48  595161404651847 1    651848 1      C-13-H3C(O)CH3
  397063.4281  0.0400 -6.3792 3  968.0261A48  595161404651847 2    651748 2      C-13-H3C(O)CH3
  397063.4281  0.0400 -5.0366 3  968.0261A48  595161404651847 2    651848 2      C-13-H3C(O)CH3
  397063.4281  0.0400 -6.3792 3  968.0261A48  595161404651947 2    651848 2      C-13-H3C(O)CH3
  397063.4281  0.0400 -5.0366 3  968.0261A48  595161404651947 2    651748 2      C-13-H3C(O)CH3
  397065.5069  0.0273 -5.7541 3  549.9084728  595161404452520 1    442817 1      C-13-H3C(O)CH3
  397074.6446  0.0528 -5.6299 3  368.5363760  59516140447 246 0    47 147 0      C-13-H3C(O)CH3
  397074.6446  0.0528 -5.0917 3  368.5363760  59516140447 146 0    47 147 0      C-13-H3C(O)CH3
  397074.6446  0.0528 -5.6299 3  368.5363760  59516140447 146 0    47 047 0      C-13-H3C(O)CH3
  397074.6446  0.0528 -5.0917 3  368.5363760  59516140447 246 0    47 047 0      C-13-H3C(O)CH3
  397091.2677  0.0151 -5.0121 3  410.4091616  595161404382712 2    372810 2      C-13-H3C(O)CH3
  397096.7148  0.0141 -5.0122 3  410.4299616  595161404382712 0    3728 9 0      C-13-H3C(O)CH3
  397114.6003  0.0195 -6.1508 3  594.8088380  595161404472522 3    462819 3      C-13-H3C(O)CH3
  397139.2442  0.0194 -6.1507 3  594.8079380  595161404472522 4    462819 4      C-13-H3C(O)CH3
  397151.1651  0.0141 -5.0121 3  410.4299616  595161404382711 0    372810 0      C-13-H3C(O)CH3
  397152.0568  0.0318 -6.0373 3  968.0241524  595161404651847 3    651748 3      C-13-H3C(O)CH3
  397152.0568  0.0318 -5.4101 3  968.0241524  595161404651847 3    651848 3      C-13-H3C(O)CH3
  397152.0568  0.0318 -6.0373 3  968.0241524  595161404651947 3    651848 3      C-13-H3C(O)CH3
  397152.0568  0.0318 -5.4101 3  968.0241524  595161404651947 3    651748 3      C-13-H3C(O)CH3
  397152.2394  0.0319 -5.6022 3  968.0241524  595161404651947 4    651848 4      C-13-H3C(O)CH3
  397152.2394  0.0319 -5.6367 3  968.0241524  595161404651947 4    651748 4      C-13-H3C(O)CH3
  397152.2394  0.0319 -5.6367 3  968.0241524  595161404651847 4    651848 4      C-13-H3C(O)CH3
  397152.2394  0.0319 -5.6022 3  968.0241524  595161404651847 4    651748 4      C-13-H3C(O)CH3
  397178.3329  0.2576 -6.6475 3  788.3414856  595161404533519 2    533221 2      C-13-H3C(O)CH3
  397226.2014  0.3721 -6.3415 3  847.5281444  595161404553619 3    553322 3      C-13-H3C(O)CH3
  397229.4973  0.0230 -5.8493 3  594.8192760  595161404472522 2    462819 2      C-13-H3C(O)CH3
  397232.3898  0.0146 -4.5121 3  225.7991236  595161404291712 3    281811 3      C-13-H3C(O)CH3
  397246.8497  0.0235 -5.8506 3  594.8219760  595161404472522 1    462819 1      C-13-H3C(O)CH3
  397264.4140  0.0120 -6.3412 3  251.3187488  5951614043021 9 0    301614 0      C-13-H3C(O)CH3
  397268.6131  0.0153 -4.5127 3  225.7982236  595161404291712 4    281811 4      C-13-H3C(O)CH3
  397271.2175  0.0502 -6.6875 3  702.5320760  5951614044743 4 1    4644 2 1      C-13-H3C(O)CH3
  397282.2467  0.0164 -5.3154 3  410.3875308  595161404382712 3    372810 3      C-13-H3C(O)CH3
  397284.8846  0.0171 -5.3123 3  410.3736308  595161404382712 4    372810 4      C-13-H3C(O)CH3
  397301.6049  0.0291 -6.0286 3  563.2839364  595161404452917 3    452620 3      C-13-H3C(O)CH3
  397314.2514  0.0148 -5.0135 3  410.3947616  595161404382712 1    372810 1      C-13-H3C(O)CH3
  397318.8793  0.0311 -5.7511 3  549.9185728  595161404452520 0    442817 0      C-13-H3C(O)CH3
  397319.3471  0.0147 -5.0141 3  410.4085616  595161404382711 1    3728 9 1      C-13-H3C(O)CH3
  397335.4201  0.0130 -6.3687 3  251.2974488  5951614043021 9 2    301614 2      C-13-H3C(O)CH3
  397343.7235  0.0021 -4.0338 3  203.1242228  595161404281514 4    271413 4      C-13-H3C(O)CH3
  397344.6690  0.0121 -4.2114 3  225.8147472 -595161404291712 1    281811 1      C-13-H3C(O)CH3
  397347.4912  0.0023 -4.0338 3  203.1241228  595161404281514 3    271413 3      C-13-H3C(O)CH3
  397348.2310  0.0233 -5.8502 3  594.8328760  595161404472522 0    462819 0      C-13-H3C(O)CH3
  397357.5976  0.0539 -6.6884 3  702.5061760  5951614044743 4 2    4644 2 2      C-13-H3C(O)CH3
  397363.7532  0.0147 -5.0121 3  410.4259616  595161404382711 2    3728 9 2      C-13-H3C(O)CH3
  397384.1032  0.0062 -6.6089 3   37.9678216  59516140413 9 5 0    12 4 8 0      C-13-H3C(O)CH3
  397418.8690  0.0024 -3.7329 3  203.1369456 -595161404281514 1    271413 1      C-13-H3C(O)CH3
  397455.1244  0.0030 -3.6124 3  266.8374324  59516140440 139 3    39 138 3      C-13-H3C(O)CH3
  397455.1244  0.0030 -4.6823 3  266.8374324  59516140440 239 3    39 138 3      C-13-H3C(O)CH3
  397455.1407  0.0030 -4.1076 3  266.8375324  59516140440 239 4    39 138 4      C-13-H3C(O)CH3
  397455.1407  0.0030 -3.7285 3  266.8375324  59516140440 139 4    39 138 4      C-13-H3C(O)CH3
  397455.1833  0.0030 -4.6823 3  266.8374324 -59516140440 139 3    39 238 3      C-13-H3C(O)CH3
  397455.1833  0.0030 -3.6124 3  266.8374324 -59516140440 239 3    39 238 3      C-13-H3C(O)CH3
  397455.1833  0.0030 -4.1076 3  266.8375324 -59516140440 139 4    39 238 4      C-13-H3C(O)CH3
  397455.1833  0.0030 -3.7285 3  266.8375324 -59516140440 239 4    39 238 4      C-13-H3C(O)CH3
  397468.2790  0.0024 -3.7332 3  203.1306456 -595161404281514 2    271413 2      C-13-H3C(O)CH3
  397474.4738  0.0034 -3.4328 3  266.7895648 -59516140440 239 1    39 238 1      C-13-H3C(O)CH3
  397474.4738  0.0034 -3.7937 3  266.7895648 -59516140440 139 1    39 238 1      C-13-H3C(O)CH3
  397474.4738  0.0033 -3.7834 3  266.7891648 -59516140440 239 2    39 138 2      C-13-H3C(O)CH3
  397474.4738  0.0033 -3.7834 3  266.7891648 -59516140440 139 2    39 238 2      C-13-H3C(O)CH3
  397474.4924  0.0034 -3.7937 3  266.7895648  59516140440 239 1    39 138 1      C-13-H3C(O)CH3
  397474.4924  0.0034 -3.4328 3  266.7895648  59516140440 139 1    39 138 1      C-13-H3C(O)CH3
  397474.5682  0.0033 -3.4373 3  266.7891648  59516140440 239 2    39 238 2      C-13-H3C(O)CH3
  397474.5682  0.0033 -3.4373 3  266.7891648  59516140440 139 2    39 138 2      C-13-H3C(O)CH3
  397477.5053  0.0511 -6.6763 3  663.6838372  5951614044641 5 4    4542 3 4      C-13-H3C(O)CH3
  397485.4239  0.0295 -6.2216 3  478.3553664  595161404412913 1    412615 1      C-13-H3C(O)CH3
  397493.8811  0.0028 -3.3277 3  266.7413648  59516140440 239 0    39 138 0      C-13-H3C(O)CH3
  397493.8811  0.0028 -3.3277 3  266.7413648  59516140440 139 0    39 238 0      C-13-H3C(O)CH3
  397493.8968  0.0028 -4.2228 3  266.7413648 -59516140440 139 0    39 138 0      C-13-H3C(O)CH3
  397493.8968  0.0028 -4.2228 3  266.7413648 -59516140440 239 0    39 238 0      C-13-H3C(O)CH3
  397520.8432  0.0515 -6.6876 3  702.4798760  5951614044743 5 1    4644 3 1      C-13-H3C(O)CH3
  397521.9809  0.0023 -3.8081 3  237.0650260 -595161404321022 3    311121 3      C-13-H3C(O)CH3
  397521.9809  0.0023 -3.8081 3  237.0650260 -595161404321122 3    311021 3      C-13-H3C(O)CH3
  397521.9809  0.0023 -3.8081 3  237.0650260 -595161404321122 4    311021 4      C-13-H3C(O)CH3
  397521.9809  0.0023 -3.8081 3  237.0650260 -595161404321022 4    311121 4      C-13-H3C(O)CH3
  397540.2538  0.0023 -3.7333 3  203.1434456 -595161404281514 0    271413 0      C-13-H3C(O)CH3
  397553.2790  0.0160 -5.3128 3  410.4044308  595161404382711 4    3728 9 4      C-13-H3C(O)CH3
  397555.2233  0.0154 -5.3148 3  410.3905308  595161404382711 3    3728 9 3      C-13-H3C(O)CH3
  397573.3808  0.0026 -3.5071 3  237.0787520 -595161404321022 1    311121 1      C-13-H3C(O)CH3
  397573.3808  0.0026 -3.5071 3  237.0787520 -595161404321122 1    311021 1      C-13-H3C(O)CH3
  397576.1231  0.0026 -3.5071 3  237.0771520 -595161404321022 2    311121 2      C-13-H3C(O)CH3
  397576.1231  0.0026 -3.5071 3  237.0771520 -595161404321122 2    311021 2      C-13-H3C(O)CH3
  397581.8327  0.0294 -5.2507 3  929.0157A32  595161404641747 0    641648 0      C-13-H3C(O)CH3
  397581.8327  0.0294 -5.2507 3  929.0157A32  595161404641847 0    641748 0      C-13-H3C(O)CH3
  397581.8327  0.0294 -5.2679 3  929.0157A32  595161404641847 0    641648 0      C-13-H3C(O)CH3
  397581.8327  0.0294 -5.2679 3  929.0157A32  595161404641747 0    641748 0      C-13-H3C(O)CH3
  397585.2919  0.2065 -6.5627 3 1842.1711D68  595161404853749 2    853550 2      C-13-H3C(O)CH3
  397585.2919  0.2065 -6.5521 3 1842.1711D68  595161404853749 2    853650 2      C-13-H3C(O)CH3
  397588.5518  0.0433 -6.5513 3  478.3353332  595161404412913 4    412615 4      C-13-H3C(O)CH3
  397590.5735  0.2299 -6.5560 3 1842.1679D68  595161404853649 1    853550 1      C-13-H3C(O)CH3
  397590.5735  0.2299 -6.5560 3 1842.1679D68  595161404853749 1    853650 1      C-13-H3C(O)CH3
  397603.1606  0.0367 -6.3736 3  663.6649744  5951614044641 5 1    4542 3 1      C-13-H3C(O)CH3
  397604.6227  0.0131 -4.3515 3  243.0925488  595161404301812 2    291911 2      C-13-H3C(O)CH3
  397627.3167  0.0022 -3.5071 3  237.0907520 -595161404321022 0    311121 0      C-13-H3C(O)CH3
  397627.3167  0.0022 -3.5071 3  237.0907520 -595161404321122 0    311021 0      C-13-H3C(O)CH3
  397628.7651  0.2335 -6.6150 3 1842.1656D68  595161404853749 0    853550 0      C-13-H3C(O)CH3
  397628.7651  0.2335 -6.6150 3 1842.1656D68  595161404853649 0    853650 0      C-13-H3C(O)CH3
  397659.8624  0.0423 -6.6863 3  702.4759760  5951614044743 5 0    4644 2 0      C-13-H3C(O)CH3
  397659.8624  0.0423 -6.6863 3  702.4759760  5951614044743 4 0    4644 3 0      C-13-H3C(O)CH3
  397677.0950  0.0350 -5.4558 3  929.0092A32  595161404641847 1    641648 1      C-13-H3C(O)CH3
  397677.0950  0.0350 -5.1239 3  929.0092A32  595161404641847 1    641748 1      C-13-H3C(O)CH3
  397677.0950  0.0350 -5.1239 3  929.0092A32  595161404641747 1    641648 1      C-13-H3C(O)CH3
  397677.0950  0.0350 -5.4558 3  929.0092A32  595161404641747 1    641748 1      C-13-H3C(O)CH3
  397679.1050  0.0358 -6.1632 3  929.0091A32  595161404641747 2    641748 2      C-13-H3C(O)CH3
  397679.1050  0.0358 -6.1632 3  929.0091A32  595161404641847 2    641648 2      C-13-H3C(O)CH3
  397679.1050  0.0358 -4.9858 3  929.0091A32  595161404641847 2    641748 2      C-13-H3C(O)CH3
  397679.1050  0.0358 -4.9858 3  929.0091A32  595161404641747 2    641648 2      C-13-H3C(O)CH3
  397722.8747  0.0054 -4.6813 3   78.1340148  5951614041810 9 4    17 710 4      C-13-H3C(O)CH3
  397724.3281  0.0120 -4.3515 3  243.1104488  595161404301812 0    291911 0      C-13-H3C(O)CH3
  397728.0729  0.0039 -4.6813 3   78.1340148  5951614041810 9 3    17 710 3      C-13-H3C(O)CH3
  397747.1900  0.0274 -5.8718 3  478.3718664  595161404412912 0    412615 0      C-13-H3C(O)CH3
  397774.4903  0.0297 -5.2769 3  929.0026516  595161404641847 3    641748 3      C-13-H3C(O)CH3
  397774.4903  0.0297 -6.6432 3  929.0026516  595161404641747 3    641748 3      C-13-H3C(O)CH3
  397774.4903  0.0297 -5.2769 3  929.0026516  595161404641747 3    641648 3      C-13-H3C(O)CH3
  397774.4903  0.0297 -6.6432 3  929.0026516  595161404641847 3    641648 3      C-13-H3C(O)CH3
  397774.6715  0.0298 -5.3049 3  929.0026516  595161404641847 4    641648 4      C-13-H3C(O)CH3
  397774.6715  0.0298 -6.2543 3  929.0026516  595161404641747 4    641648 4      C-13-H3C(O)CH3
  397774.6715  0.0298 -6.2543 3  929.0026516  595161404641847 4    641748 4      C-13-H3C(O)CH3
  397774.6715  0.0298 -5.3049 3  929.0026516  595161404641747 4    641748 4      C-13-H3C(O)CH3
  397782.8019  0.0256 -5.1720 3  360.7436584  595161404362413 2    352510 2      C-13-H3C(O)CH3
  397783.3930  0.0478 -6.6761 3  663.6300372  5951614044641 6 3    4542 4 3      C-13-H3C(O)CH3
  397786.9464  0.0716 -6.0831 3 1421.9164612  595161404762948 3    762749 3      C-13-H3C(O)CH3
  397786.9464  0.0716 -6.0831 3 1421.9164612  595161404762848 3    762849 3      C-13-H3C(O)CH3
  397786.9504  0.0716 -6.0961 3 1421.9164612  595161404762948 4    762749 4      C-13-H3C(O)CH3
  397786.9504  0.0716 -6.0961 3 1421.9164612  595161404762848 4    762849 4      C-13-H3C(O)CH3
  397797.7428  0.0376 -6.3740 3  663.6396744  5951614044641 5 2    4542 3 2      C-13-H3C(O)CH3
  397801.2781  0.0717 -6.4537 3 1421.8948C24  595161404762848 1    762849 1      C-13-H3C(O)CH3
  397801.2781  0.0717 -5.8844 3 1421.8948C24  595161404762948 1    762849 1      C-13-H3C(O)CH3
  397801.2781  0.0717 -5.7810 3 1421.8948C24  595161404762948 1    762749 1      C-13-H3C(O)CH3
  397805.7508  0.0744 -5.9549 3 1421.8970C24  595161404762948 2    762849 2      C-13-H3C(O)CH3
  397805.7508  0.0744 -6.2616 3 1421.8970C24  595161404762948 2    762749 2      C-13-H3C(O)CH3
  397805.7508  0.0744 -5.9549 3 1421.8970C24  595161404762848 2    762749 2      C-13-H3C(O)CH3
  397805.7508  0.0744 -6.2616 3 1421.8970C24  595161404762848 2    762849 2      C-13-H3C(O)CH3
  397820.1066  0.0747 -5.7807 3 1421.8754C24  595161404762948 0    762849 0      C-13-H3C(O)CH3
  397820.1066  0.0747 -5.7807 3 1421.8754C24  595161404762848 0    762749 0      C-13-H3C(O)CH3
  397860.3186  0.0389 -6.2348 3  478.3509664  595161404412913 2    412615 2      C-13-H3C(O)CH3
  397889.6822  0.4519 -6.4602 3  847.5288444  595161404553619 4    553322 4      C-13-H3C(O)CH3
  397902.7093  0.0118 -5.8206 3  328.2627568  595161404351916 2    351619 2      C-13-H3C(O)CH3
  397904.7913  0.0518 -6.6870 3  702.4564760  5951614044743 5 2    4644 3 2      C-13-H3C(O)CH3
  397907.3217  0.0395 -6.3734 3  663.6110744  5951614044641 6 1    4542 4 1      C-13-H3C(O)CH3
  397919.7715  0.0313 -5.5025 3  360.7157292  595161404362413 4    352510 4      C-13-H3C(O)CH3
  397922.5726  0.0330 -6.3723 3  663.6205744  5951614044641 5 0    4542 4 0      C-13-H3C(O)CH3
  397922.5726  0.0330 -6.3723 3  663.6205744  5951614044641 6 0    4542 3 0      C-13-H3C(O)CH3
  397936.9450  0.0041 -4.3796 3   78.1013296  5951614041810 9 2    17 710 2      C-13-H3C(O)CH3
  397956.0344  0.0474 -6.6748 3  663.6420372  5951614044641 5 3    4542 3 3      C-13-H3C(O)CH3
  397958.7299  0.2532 -6.3256 3 1170.0150A48  595161404654025 2    653728 2      C-13-H3C(O)CH3
  397964.9175  0.0039 -4.3796 3   78.1032296  5951614041810 9 1    17 710 1      C-13-H3C(O)CH3
  397965.8139  0.0098 -5.8201 3  328.2901568  595161404351916 0    351619 0      C-13-H3C(O)CH3
  397974.5856  0.3327 -6.3268 3 1170.0094A48  595161404654025 0    653728 0      C-13-H3C(O)CH3
  397988.3260  0.0133 -6.1218 3  328.2386284  595161404351916 3    351619 3      C-13-H3C(O)CH3
  397991.7189  0.0130 -6.1218 3  328.2386284  595161404351916 4    351619 4      C-13-H3C(O)CH3
  397993.9792  0.0159 -4.6503 3  243.0742244  595161404301812 3    291911 3      C-13-H3C(O)CH3
  398000.0352  0.0272 -5.4362 3  360.7143292  595161404362413 3    352510 3      C-13-H3C(O)CH3
  398022.3265  0.0183 -4.6519 3  243.0730244  595161404301812 4    291911 4      C-13-H3C(O)CH3
  398024.6157  0.2171 -6.6250 3 1170.0143524  595161404654025 3    653728 3      C-13-H3C(O)CH3
  398037.7765  0.3232 -6.3253 3 1170.0088A48  595161404654025 1    653728 1      C-13-H3C(O)CH3
  398047.2500  0.2133 -6.6253 3 1170.0144524  595161404654025 4    653728 4      C-13-H3C(O)CH3
  398051.3245  0.0114 -5.8204 3  328.2660568  595161404351916 1    351619 1      C-13-H3C(O)CH3
  398053.9549  0.0106 -4.8040 3  360.7538584  595161404362413 0    352510 0      C-13-H3C(O)CH3
  398119.2494  0.0134 -4.3500 3  243.0917488  595161404301812 1    291911 1      C-13-H3C(O)CH3
  398168.6610  0.0261 -4.9658 3  890.5830A16  595161404631647 0    631648 0      C-13-H3C(O)CH3
  398168.6610  0.0261 -4.9146 3  890.5830A16  595161404631747 0    631548 0      C-13-H3C(O)CH3
  398168.6610  0.0261 -5.7624 3  890.5830A16  595161404631647 0    631548 0      C-13-H3C(O)CH3
  398168.6610  0.0261 -6.4261 3  890.5830A16  595161404631747 0    631648 0      C-13-H3C(O)CH3
  398176.0070  0.0041 -4.3789 3   78.0706296  5951614041810 9 0    17 710 0      C-13-H3C(O)CH3
  398184.9073  0.0329 -6.1283 3  478.3553664  595161404412912 1    412615 1      C-13-H3C(O)CH3
  398212.8234  0.0154 -5.0460 3  360.7292584  595161404362413 2    352511 2      C-13-H3C(O)CH3
  398221.3689  0.0123 -4.8457 3  360.7258584  595161404362413 1    352510 1      C-13-H3C(O)CH3
  398258.8518  0.0506 -6.6746 3  663.5882372  5951614044641 6 4    4542 4 4      C-13-H3C(O)CH3
  398268.0168  0.0311 -5.0092 3  890.5718A16  595161404631647 1    631648 1      C-13-H3C(O)CH3
  398268.0168  0.0311 -5.5580 3  890.5718A16  595161404631647 1    631548 1      C-13-H3C(O)CH3
  398268.0168  0.0311 -5.5580 3  890.5718A16  595161404631747 1    631648 1      C-13-H3C(O)CH3
  398268.0168  0.0311 -5.0092 3  890.5718A16  595161404631747 1    631548 1      C-13-H3C(O)CH3
  398269.4771  0.0315 -4.9211 3  890.5717A16  595161404631647 2    631548 2      C-13-H3C(O)CH3
  398269.4771  0.0315 -5.0705 3  890.5717A16  595161404631747 2    631648 2      C-13-H3C(O)CH3
  398269.4771  0.0315 -5.3921 3  890.5717A16  595161404631647 2    631648 2      C-13-H3C(O)CH3
  398269.4771  0.0315 -6.2487 3  890.5717A16  595161404631747 2    631548 2      C-13-H3C(O)CH3
  398273.8289  0.0386 -6.3725 3  663.5977744  5951614044641 6 2    4542 4 2      C-13-H3C(O)CH3
  398299.5754  0.0283 -6.1071 3  626.0981728  5951614044539 6 1    4440 4 1      C-13-H3C(O)CH3
  398299.8349  0.0072 -6.3709 3  216.5999236  595161404291415 3    291118 3      C-13-H3C(O)CH3
  398300.2730  0.0083 -6.3709 3  216.5999236  595161404291415 4    291118 4      C-13-H3C(O)CH3
  398304.0346  0.0109 -5.8383 3  360.7230584  595161404362413 1    352511 1      C-13-H3C(O)CH3
  398319.3339  0.1917 -6.0826 3  788.3476856  595161404533518 1    533221 1      C-13-H3C(O)CH3
  398336.4804  0.0362 -6.4093 3  626.1091364  5951614044539 6 4    4440 4 4      C-13-H3C(O)CH3
  398340.2028  0.0483 -6.5541 3  478.3335332  595161404412913 3    412615 3      C-13-H3C(O)CH3
  398368.9575  0.0278 -5.2429 3  890.5606508  595161404631747 3    631648 3      C-13-H3C(O)CH3
  398368.9575  0.0278 -6.2474 3  890.5606508  595161404631747 3    631548 3      C-13-H3C(O)CH3
  398368.9575  0.0278 -5.2021 3  890.5606508  595161404631647 3    631648 3      C-13-H3C(O)CH3
  398369.1283  0.0278 -6.5305 3  890.5605508  595161404631747 4    631648 4      C-13-H3C(O)CH3
  398369.1283  0.0278 -5.2227 3  890.5605508  595161404631747 4    631548 4      C-13-H3C(O)CH3
  398369.1283  0.0278 -5.2227 3  890.5605508  595161404631647 4    631648 4      C-13-H3C(O)CH3
  398369.1283  0.0278 -6.5305 3  890.5605508  595161404631647 4    631548 4      C-13-H3C(O)CH3
  398377.2138  0.0045 -6.3307 3   82.7018148  5951614041812 6 4    17 9 8 4      C-13-H3C(O)CH3
  398384.4355  0.0071 -6.0688 3  216.6102472  595161404291415 2    291118 2      C-13-H3C(O)CH3
  398386.3638  0.0186 -5.3765 3  360.7015292  595161404362413 3    352511 3      C-13-H3C(O)CH3
  398391.0379  0.0175 -5.3256 3  360.7000292  595161404362413 4    352511 4      C-13-H3C(O)CH3
  398425.7969  0.0072 -6.3707 3  216.5999236  595161404291515 3    291218 3      C-13-H3C(O)CH3
  398425.8475  0.0083 -6.3707 3  216.5999236  595161404291515 4    291218 4      C-13-H3C(O)CH3
  398449.1096  0.0071 -6.0685 3  216.6124472  595161404291415 1    291118 1      C-13-H3C(O)CH3
  398465.7566  0.0056 -6.5085 3   82.6732296  5951614041812 6 1    17 9 8 1      C-13-H3C(O)CH3
  398470.1041  0.0024 -3.7741 3  244.0449268 -59516140433 924 4    321023 4      C-13-H3C(O)CH3
  398470.1041  0.0024 -3.7741 3  244.0449268 -595161404331024 3    32 923 3      C-13-H3C(O)CH3
  398470.1041  0.0024 -3.7741 3  244.0449268 -595161404331024 4    32 923 4      C-13-H3C(O)CH3
  398470.1041  0.0024 -3.7742 3  244.0449268 -59516140433 924 3    321023 3      C-13-H3C(O)CH3
  398504.3074  0.0066 -6.6839 3   82.6675296  5951614041812 6 2    17 9 8 2      C-13-H3C(O)CH3
  398512.8701  0.0070 -6.0686 3  216.6102472  595161404291515 2    291218 2      C-13-H3C(O)CH3
  398519.6688  0.0027 -3.4731 3  244.0570536 -59516140433 924 1    321023 1      C-13-H3C(O)CH3
  398519.6688  0.0027 -3.4731 3  244.0570536 -595161404331024 1    32 923 1      C-13-H3C(O)CH3
  398521.6150  0.0027 -3.4732 3  244.0558536 -59516140433 924 2    321023 2      C-13-H3C(O)CH3
  398521.6150  0.0027 -3.4733 3  244.0558536 -595161404331024 2    32 923 2      C-13-H3C(O)CH3
  398528.1739  0.0273 -6.1059 3  626.0658728  5951614044539 7 0    4440 5 0      C-13-H3C(O)CH3
  398528.1739  0.0273 -6.1059 3  626.0658728  5951614044539 6 0    4440 4 0      C-13-H3C(O)CH3
  398533.5278  0.0066 -6.0670 3  216.6227472  595161404291415 0    291118 0      C-13-H3C(O)CH3
  398564.4954  0.0290 -6.1071 3  626.0770728  5951614044539 6 2    4440 4 2      C-13-H3C(O)CH3
  398570.9827  0.0023 -3.4732 3  244.0680536 -59516140433 924 0    321023 0      C-13-H3C(O)CH3
  398570.9827  0.0023 -3.4732 3  244.0680536 -595161404331024 0    32 923 0      C-13-H3C(O)CH3
  398573.3208  0.0071 -6.0682 3  216.6124472  595161404291515 1    291218 1      C-13-H3C(O)CH3
  398575.6359  0.0042 -3.5566 3  268.8756332 -59516140441 041 4    40 040 4      C-13-H3C(O)CH3
  398575.6359  0.0043 -3.6488 3  268.8756332 -59516140441 141 3    40 040 3      C-13-H3C(O)CH3
  398575.6359  0.0042 -5.8058 3  268.8756332 -59516140441 141 4    40 040 4      C-13-H3C(O)CH3
  398575.6359  0.0043 -3.6488 3  268.8756332 -59516140441 041 3    40 140 3      C-13-H3C(O)CH3
  398575.6564  0.0042 -3.5566 3  268.8756332  59516140441 141 4    40 140 4      C-13-H3C(O)CH3
  398575.6564  0.0042 -5.8058 3  268.8756332  59516140441 041 4    40 140 4      C-13-H3C(O)CH3
  398575.6636  0.0043 -4.2621 3  268.8756332  59516140441 141 3    40 140 3      C-13-H3C(O)CH3
  398575.6636  0.0043 -4.2621 3  268.8756332  59516140441 041 3    40 040 3      C-13-H3C(O)CH3
  398580.4146  0.0053 -3.8683 3  268.8084664  59516140441 041 1    40 040 1      C-13-H3C(O)CH3
  398580.4146  0.0053 -3.8683 3  268.8084664  59516140441 141 1    40 140 1      C-13-H3C(O)CH3
  398580.4912  0.0050 -3.6370 3  268.8080664 -59516140441 041 2    40 040 2      C-13-H3C(O)CH3
  398580.4912  0.0050 -3.4843 3  268.8080664 -59516140441 141 2    40 040 2      C-13-H3C(O)CH3
  398580.4912  0.0053 -3.3735 3  268.8084664 -59516140441 141 1    40 040 1      C-13-H3C(O)CH3
  398580.4912  0.0053 -3.3735 3  268.8084664 -59516140441 041 1    40 140 1      C-13-H3C(O)CH3
  398580.5617  0.0050 -3.4843 3  268.8080664  59516140441 041 2    40 140 2      C-13-H3C(O)CH3
  398580.5617  0.0050 -3.6370 3  268.8080664  59516140441 141 2    40 140 2      C-13-H3C(O)CH3
  398585.2940  0.0043 -3.3221 3  268.7408664  59516140441 141 0    40 040 0      C-13-H3C(O)CH3
  398585.2940  0.0043 -4.0842 3  268.7408664  59516140441 041 0    40 040 0      C-13-H3C(O)CH3
  398585.3997  0.0043 -3.3221 3  268.7408664 -59516140441 041 0    40 140 0      C-13-H3C(O)CH3
  398585.3997  0.0043 -4.0842 3  268.7408664 -59516140441 141 0    40 140 0      C-13-H3C(O)CH3
  398589.9809  0.0148 -5.7178 3  460.5882664  595161404412517 0    412220 0      C-13-H3C(O)CH3
  398619.9767  0.0323 -6.1066 3  626.0458728  5951614044539 7 1    4440 5 1      C-13-H3C(O)CH3
  398657.4310  0.0366 -6.4088 3  626.0570364  5951614044539 7 3    4440 5 3      C-13-H3C(O)CH3
  398660.2715  0.0066 -6.0668 3  216.6227472  595161404291515 0    291218 0      C-13-H3C(O)CH3
  398666.4861  0.0524 -6.4074 3  478.3335332  595161404412912 3    412615 3      C-13-H3C(O)CH3
  398704.8187  0.0354 -6.4078 3  626.0750364  5951614044539 6 3    4440 4 3      C-13-H3C(O)CH3
  398720.2796  0.0653 -6.0003 3 1376.5643604  595161404752848 3    752749 3      C-13-H3C(O)CH3
  398720.2796  0.0653 -6.0003 3 1376.5643604  595161404752748 3    752649 3      C-13-H3C(O)CH3
  398720.3020  0.0653 -6.2976 3 1376.5643604  595161404752748 4    752749 4      C-13-H3C(O)CH3
  398720.3020  0.0653 -6.3051 3 1376.5643604  595161404752848 4    752749 4      C-13-H3C(O)CH3
  398720.3020  0.0653 -6.3051 3 1376.5643604  595161404752748 4    752649 4      C-13-H3C(O)CH3
  398720.3020  0.0653 -6.2976 3 1376.5643604  595161404752848 4    752649 4      C-13-H3C(O)CH3
  398722.5519  0.0152 -5.7175 3  460.5657664  595161404412517 1    412220 1      C-13-H3C(O)CH3
  398726.0317  0.0645 -5.7263 3 1376.5425C08  595161404752848 1    752649 1      C-13-H3C(O)CH3
  398726.0317  0.0645 -5.7286 3 1376.5425C08  595161404752748 1    752749 1      C-13-H3C(O)CH3
  398727.6470  0.0150 -5.7178 3  460.5616664  595161404412517 2    412220 2      C-13-H3C(O)CH3
  398730.9977  0.0687 -6.1284 3 1376.5445C08  595161404752848 2    752649 2      C-13-H3C(O)CH3
  398730.9977  0.0687 -6.1496 3 1376.5445C08  595161404752848 2    752749 2      C-13-H3C(O)CH3
  398730.9977  0.0687 -5.8893 3 1376.5445C08  595161404752748 2    752749 2      C-13-H3C(O)CH3
  398730.9977  0.0687 -5.9013 3 1376.5445C08  595161404752748 2    752649 2      C-13-H3C(O)CH3
  398734.6760  0.0228 -5.7337 3  852.7307A00  595161404621647 0    621448 0      C-13-H3C(O)CH3
  398734.6760  0.0228 -4.9081 3  852.7307A00  595161404621647 0    621548 0      C-13-H3C(O)CH3
  398734.6760  0.0228 -4.9081 3  852.7307A00  595161404621547 0    621448 0      C-13-H3C(O)CH3
  398734.6760  0.0228 -5.7337 3  852.7307A00  595161404621547 0    621548 0      C-13-H3C(O)CH3
  398736.7848  0.0662 -5.7009 3 1376.5227C08  595161404752848 0    752649 0      C-13-H3C(O)CH3
  398736.7848  0.0662 -5.7009 3 1376.5227C08  595161404752748 0    752749 0      C-13-H3C(O)CH3
  398775.5523  0.0242 -5.2275 3  132.0491180  5951614042216 7 4    2115 6 4      C-13-H3C(O)CH3
  398796.9614  0.3358 -6.1070 3  788.3414856  595161404533518 2    533221 2      C-13-H3C(O)CH3
  398834.7824  0.0273 -5.0740 3  852.7150A00  595161404621547 1    621548 1      C-13-H3C(O)CH3
  398834.7824  0.0273 -5.2380 3  852.7150A00  595161404621547 1    621448 1      C-13-H3C(O)CH3
  398834.7824  0.0273 -5.0740 3  852.7150A00  595161404621647 1    621448 1      C-13-H3C(O)CH3
  398834.7824  0.0273 -5.2380 3  852.7150A00  595161404621647 1    621548 1      C-13-H3C(O)CH3
  398835.7449  0.0273 -5.7461 3  852.7148A00  595161404621647 2    621448 2      C-13-H3C(O)CH3
  398835.7449  0.0273 -4.9059 3  852.7148A00  595161404621547 2    621448 2      C-13-H3C(O)CH3
  398835.7449  0.0273 -4.8488 3  852.7148A00  595161404621647 2    621548 2      C-13-H3C(O)CH3
  398845.1937  0.1854 -6.5123 3 1791.7208D52  595161404843549 2    843550 2      C-13-H3C(O)CH3
  398845.1937  0.1854 -6.5646 3 1791.7208D52  595161404843649 2    843450 2      C-13-H3C(O)CH3
  398849.0436  0.2053 -6.4892 3 1791.7174D52  595161404843649 1    843450 1      C-13-H3C(O)CH3
  398849.0436  0.2053 -6.4892 3 1791.7174D52  595161404843549 1    843550 1      C-13-H3C(O)CH3
  398852.9700  0.0141 -6.0185 3  460.5390332  595161404412517 4    412220 4      C-13-H3C(O)CH3
  398866.5627  0.0139 -6.0184 3  460.5391332  595161404412517 3    412220 3      C-13-H3C(O)CH3
  398884.0632  0.0472 -6.1204 3  478.3509664  595161404412912 2    412615 2      C-13-H3C(O)CH3
  398889.2725  0.2090 -6.6178 3 1791.7125D52  595161404843549 0    843450 0      C-13-H3C(O)CH3
  398889.2725  0.2090 -6.6178 3 1791.7125D52  595161404843649 0    843550 0      C-13-H3C(O)CH3
  398921.2990  0.0117 -5.2267 3  349.5675292  595161404362116 3    352213 3      C-13-H3C(O)CH3
  398931.8524  0.0306 -6.1055 3  626.0428728  5951614044539 7 2    4440 5 2      C-13-H3C(O)CH3
  398934.5089  0.0088 -5.2265 3  349.5670292  595161404362116 4    352213 4      C-13-H3C(O)CH3
  398935.9747  0.0260 -5.1743 3  852.6991500  595161404621547 3    621448 3      C-13-H3C(O)CH3
  398935.9747  0.0260 -6.3792 3  852.6991500  595161404621547 3    621548 3      C-13-H3C(O)CH3
  398935.9747  0.0260 -6.3792 3  852.6991500  595161404621647 3    621448 3      C-13-H3C(O)CH3
  398935.9747  0.0260 -5.1743 3  852.6991500  595161404621647 3    621548 3      C-13-H3C(O)CH3
  398936.1240  0.0260 -5.9352 3  852.6991500  595161404621547 4    621548 4      C-13-H3C(O)CH3
  398936.1240  0.0260 -5.2254 3  852.6991500  595161404621547 4    621448 4      C-13-H3C(O)CH3
  398936.1240  0.0260 -5.3178 3  852.6991500  595161404621647 4    621448 4      C-13-H3C(O)CH3
  398936.1240  0.0260 -5.6379 3  852.6991500  595161404621647 4    621548 4      C-13-H3C(O)CH3
  398936.1738  0.0087 -4.9279 3  349.5946584  595161404362116 1    352213 1      C-13-H3C(O)CH3
  399017.5304  0.7824 -6.4242 3 1246.9746A80  595161404674225 0    673928 0      C-13-H3C(O)CH3
  399023.1063  0.0409 -6.4073 3  626.0228364  5951614044539 7 4    4440 5 4      C-13-H3C(O)CH3
  399033.3012  0.1336 -6.4737 3  631.8093388  595161404482820 3    473117 3      C-13-H3C(O)CH3
  399066.8576  0.0084 -4.9234 3  349.5843584  595161404362116 2    352213 2      C-13-H3C(O)CH3
  399075.1184  0.0071 -4.9258 3  349.6116584  595161404362116 0    352213 0      C-13-H3C(O)CH3
  399201.8689  0.0174 -5.2312 3  463.9634648  595161404403011 0    3931 8 0      C-13-H3C(O)CH3
  399202.5876  0.0174 -5.2312 3  463.9634648  595161404403010 0    3931 9 0      C-13-H3C(O)CH3
  399243.0215  0.1299 -5.9610 3  731.2989824  595161404513417 0    513120 0      C-13-H3C(O)CH3
  399281.7732  0.0196 -5.0088 3  815.4596984  595161404611547 0    611348 0      C-13-H3C(O)CH3
  399281.7732  0.0196 -5.0088 3  815.4596984  595161404611447 0    611448 0      C-13-H3C(O)CH3
  399281.7732  0.0196 -5.2100 3  815.4596984  595161404611547 0    611448 0      C-13-H3C(O)CH3
  399281.7732  0.0196 -5.2100 3  815.4596984  595161404611447 0    611348 0      C-13-H3C(O)CH3
  399311.5375  0.0524 -6.4088 3  478.3353332  595161404412912 4    412615 4      C-13-H3C(O)CH3
  399330.6658  0.0172 -5.2303 3  463.9449648  595161404403011 2    3931 9 2      C-13-H3C(O)CH3
  399343.1481  0.0186 -5.2315 3  463.9521648  595161404403010 1    3931 8 1      C-13-H3C(O)CH3
  399378.5502  0.0238 -5.3692 3  815.4396984  595161404611447 1    611348 1      C-13-H3C(O)CH3
  399378.5502  0.0238 -4.8271 3  815.4396984  595161404611447 1    611448 1      C-13-H3C(O)CH3
  399378.5502  0.0238 -5.9636 3  815.4396984  595161404611547 1    611448 1      C-13-H3C(O)CH3
  399378.5502  0.0238 -4.9317 3  815.4396984  595161404611547 1    611348 1      C-13-H3C(O)CH3
  399379.0864  0.0236 -4.9826 3  815.4394984  595161404611547 2    611448 2      C-13-H3C(O)CH3
  399379.0864  0.0236 -4.9826 3  815.4394984  595161404611447 2    611348 2      C-13-H3C(O)CH3
  399379.0864  0.0236 -5.2544 3  815.4394984  595161404611447 2    611448 2      C-13-H3C(O)CH3
  399379.0864  0.0236 -5.2544 3  815.4394984  595161404611547 2    611348 2      C-13-H3C(O)CH3
  399428.6908  0.0244 -5.8719 3  589.8403712  5951614044437 7 1    4338 5 1      C-13-H3C(O)CH3
  399433.9394  0.0136 -6.5098 3  236.7144472  5951614042921 8 0    291613 0      C-13-H3C(O)CH3
  399435.0325  0.0175 -5.2308 3  463.9264648  595161404403011 1    3931 9 1      C-13-H3C(O)CH3
  399457.5788  0.1175 -6.5424 3  731.2805824  595161404513418 1    513120 1      C-13-H3C(O)CH3
  399469.0256  0.0196 -5.5317 3  463.9336324  595161404403011 3    3931 8 3      C-13-H3C(O)CH3
  399474.1580  0.0025 -5.3265 3  250.4642276 -59516140434 826 4    33 925 4      C-13-H3C(O)CH3
  399474.1580  0.0025 -3.7550 3  250.4642276 -59516140434 926 4    33 925 4      C-13-H3C(O)CH3
  399474.1580  0.0024 -5.8198 3  250.4642276 -59516140434 926 3    33 925 3      C-13-H3C(O)CH3
  399474.1580  0.0024 -3.7472 3  250.4642276 -59516140434 826 3    33 925 3      C-13-H3C(O)CH3
  399474.1778  0.0025 -5.3265 3  250.4642276  59516140434 926 4    33 825 4      C-13-H3C(O)CH3
  399474.1778  0.0025 -3.7550 3  250.4642276  59516140434 826 4    33 825 4      C-13-H3C(O)CH3
  399474.2438  0.0024 -3.7472 3  250.4642276  59516140434 926 3    33 825 3      C-13-H3C(O)CH3
  399474.2438  0.0024 -5.8198 3  250.4642276  59516140434 826 3    33 825 3      C-13-H3C(O)CH3
  399475.9817  0.0242 -5.1258 3  815.4193492  595161404611447 3    611448 3      C-13-H3C(O)CH3
  399475.9817  0.0242 -6.2937 3  815.4193492  595161404611447 3    611348 3      C-13-H3C(O)CH3
  399475.9817  0.0242 -6.2937 3  815.4193492  595161404611547 3    611448 3      C-13-H3C(O)CH3
  399475.9817  0.0242 -5.1258 3  815.4193492  595161404611547 3    611348 3      C-13-H3C(O)CH3
  399476.0970  0.0242 -5.2292 3  815.4193492  595161404611547 4    611448 4      C-13-H3C(O)CH3
  399476.0970  0.0242 -6.1148 3  815.4193492  595161404611447 4    611348 4      C-13-H3C(O)CH3
  399476.0970  0.0242 -5.1411 3  815.4193492  595161404611447 4    611448 4      C-13-H3C(O)CH3
  399476.0970  0.0242 -5.6788 3  815.4193492  595161404611547 4    611348 4      C-13-H3C(O)CH3
  399515.5864  0.0183 -5.2308 3  463.9634648  595161404403010 2    3931 8 2      C-13-H3C(O)CH3
  399522.3341  0.0028 -3.7230 3  250.4741552 -59516140434 826 1    33 925 1      C-13-H3C(O)CH3
  399522.3341  0.0028 -3.7230 3  250.4741552 -59516140434 926 1    33 825 1      C-13-H3C(O)CH3
  399522.3836  0.0028 -3.7649 3  250.4741552  59516140434 926 1    33 925 1      C-13-H3C(O)CH3
  399522.3836  0.0028 -3.7649 3  250.4741552  59516140434 826 1    33 825 1      C-13-H3C(O)CH3
  399523.6804  0.0027 -3.4840 3  250.4731552  59516140434 826 2    33 825 2      C-13-H3C(O)CH3
  399523.6804  0.0027 -3.4840 3  250.4731552  59516140434 926 2    33 925 2      C-13-H3C(O)CH3
  399523.7058  0.0027 -4.4831 3  250.4731552 -59516140434 926 2    33 825 2      C-13-H3C(O)CH3
  399523.7058  0.0027 -4.4831 3  250.4731552 -59516140434 826 2    33 925 2      C-13-H3C(O)CH3
  399556.8732  0.0245 -5.8708 3  589.8195712  5951614044437 8 0    4338 5 0      C-13-H3C(O)CH3
  399556.8732  0.0245 -5.8708 3  589.8195712  5951614044437 7 0    4338 6 0      C-13-H3C(O)CH3
  399562.3129  0.0188 -5.5310 3  463.9077324  595161404403011 4    3931 9 4      C-13-H3C(O)CH3
  399562.9154  0.0180 -6.7232 3  236.6951472  5951614042921 8 2    291613 2      C-13-H3C(O)CH3
  399571.7034  0.0023 -5.6354 3  250.4830552 -59516140434 926 0    33 925 0      C-13-H3C(O)CH3
  399571.7034  0.0023 -5.6354 3  250.4830552 -59516140434 826 0    33 825 0      C-13-H3C(O)CH3
  399571.7243  0.0023 -3.4452 3  250.4830552  59516140434 826 0    33 925 0      C-13-H3C(O)CH3
  399571.7243  0.0023 -3.4452 3  250.4830552  59516140434 926 0    33 825 0      C-13-H3C(O)CH3
  399579.3358  0.0049 -3.5785 3  125.8492164 -5951614042020 0 4    1919 0 4      C-13-H3C(O)CH3
  399598.8594  0.0291 -6.1736 3  589.8465356  5951614044437 7 4    4338 5 4      C-13-H3C(O)CH3
  399613.2812  0.0599 -5.6210 3 1331.7587B92  595161404742648 1    742649 1      C-13-H3C(O)CH3
  399613.2812  0.0599 -5.6210 3 1331.7587B92  595161404742748 1    742549 1      C-13-H3C(O)CH3
  399614.7789  0.0599 -6.2118 3 1331.7389B92  595161404742648 0    742649 0      C-13-H3C(O)CH3
  399614.7789  0.0599 -6.1479 3 1331.7389B92  595161404742748 0    742549 0      C-13-H3C(O)CH3
  399614.7789  0.0599 -5.7719 3 1331.7389B92  595161404742748 0    742649 0      C-13-H3C(O)CH3
  399614.7789  0.0599 -5.7476 3 1331.7389B92  595161404742648 0    742549 0      C-13-H3C(O)CH3
  399617.1092  0.0600 -5.9208 3 1331.7802596  595161404742648 3    742649 3      C-13-H3C(O)CH3
  399617.1092  0.0600 -5.9208 3 1331.7802596  595161404742748 3    742549 3      C-13-H3C(O)CH3
  399617.1512  0.0601 -5.9423 3 1331.7802596  595161404742748 4    742649 4      C-13-H3C(O)CH3
  399617.1512  0.0601 -5.9423 3 1331.7802596  595161404742648 4    742549 4      C-13-H3C(O)CH3
  399618.5611  0.0650 -5.7153 3 1331.7604B92  595161404742648 2    742649 2      C-13-H3C(O)CH3
  399618.5611  0.0650 -6.3225 3 1331.7604B92  595161404742648 2    742549 2      C-13-H3C(O)CH3
  399618.5611  0.0650 -5.7153 3 1331.7604B92  595161404742748 2    742549 2      C-13-H3C(O)CH3
  399618.5611  0.0650 -6.3225 3 1331.7604B92  595161404742748 2    742649 2      C-13-H3C(O)CH3
  399631.3525  0.0738 -6.1156 3  580.2924372  595161404462719 3    462422 3      C-13-H3C(O)CH3
  399636.3674  0.8781 -6.4255 3 1246.9735A80  595161404674225 2    673928 2      C-13-H3C(O)CH3
  399642.8534  0.0742 -6.1156 3  580.2923372  595161404462719 4    462422 4      C-13-H3C(O)CH3
  399654.5093  0.0218 -5.5321 3  463.9521324  595161404403010 4    3931 8 4      C-13-H3C(O)CH3
  399718.4237  0.2973 -6.3107 3  788.3217428  595161404533518 3    533221 3      C-13-H3C(O)CH3
  399725.7819  0.0247 -5.8716 3  589.8259712  5951614044437 7 2    4338 5 2      C-13-H3C(O)CH3
  399730.2904  0.0285 -5.8712 3  589.7921712  5951614044437 8 1    4338 6 1      C-13-H3C(O)CH3
  399735.4819  0.0043 -3.5780 3  125.7771164 -5951614042020 1 3    1919 1 3      C-13-H3C(O)CH3
  399745.7812  0.0189 -5.5314 3  463.9264324  595161404403010 3    3931 9 3      C-13-H3C(O)CH3
  399773.1181  0.1904 -6.4791 3  731.2728824  595161404513418 2    513120 2      C-13-H3C(O)CH3
  399774.7459  0.1172 -6.5859 3  631.7849388  595161404482820 4    473117 4      C-13-H3C(O)CH3
  399801.0546  0.0046 -3.5779 3  125.7854164 -5951614042020 0 3    1919 0 3      C-13-H3C(O)CH3
  399811.8811  0.0166 -4.7532 3  778.7704968  595161404601347 0    601348 0      C-13-H3C(O)CH3
  399811.8811  0.0166 -4.7532 3  778.7704968  595161404601447 0    601248 0      C-13-H3C(O)CH3
  399833.1792  0.0300 -6.1722 3  589.8190356  5951614044437 7 3    4338 5 3      C-13-H3C(O)CH3
  399849.0367  0.0722 -5.8158 3  580.3084744  595161404462719 2    462422 2      C-13-H3C(O)CH3
  399851.6408  0.0044 -3.2769 3  125.8485328 -5951614042020 0 1    1919 0 1      C-13-H3C(O)CH3
  399874.9140  0.0043 -3.2768 3  125.8658328 -5951614042020 0 2    1919 0 2      C-13-H3C(O)CH3
  399899.7326  0.0316 -6.1730 3  589.7985356  5951614044437 8 3    4338 6 3      C-13-H3C(O)CH3
  399900.4615  0.0209 -4.7972 3  778.7465968  595161404601447 1    601348 1      C-13-H3C(O)CH3
  399900.4615  0.0209 -5.7291 3  778.7465968  595161404601447 1    601248 1      C-13-H3C(O)CH3
  399900.4615  0.0209 -4.7972 3  778.7465968  595161404601347 1    601248 1      C-13-H3C(O)CH3
  399900.4615  0.0209 -5.7291 3  778.7465968  595161404601347 1    601348 1      C-13-H3C(O)CH3
  399900.6579  0.0205 -4.7493 3  778.7463968  595161404601347 2    601348 2      C-13-H3C(O)CH3
  399900.6579  0.0205 -4.7493 3  778.7463968  595161404601447 2    601248 2      C-13-H3C(O)CH3
  399956.3126  0.0044 -3.5774 3  125.7134164 -5951614042020 1 4    1919 1 4      C-13-H3C(O)CH3
  399960.5916  0.0264 -5.8702 3  589.7982712  5951614044437 8 2    4338 6 2      C-13-H3C(O)CH3
  399978.6913  0.0036 -3.9914 3  129.4378180  5951614042215 7 3    2114 8 3      C-13-H3C(O)CH3
  399989.3469  0.0225 -5.0624 3  778.7223484  595161404601347 3    601248 3      C-13-H3C(O)CH3
  399989.3469  0.0225 -6.5971 3  778.7223484  595161404601347 3    601348 3      C-13-H3C(O)CH3
  399989.3469  0.0225 -6.5971 3  778.7223484  595161404601447 3    601248 3      C-13-H3C(O)CH3
  399989.3469  0.0225 -5.0624 3  778.7223484  595161404601447 3    601348 3      C-13-H3C(O)CH3
  399989.4142  0.0225 -5.0677 3  778.7223484  595161404601447 4    601248 4      C-13-H3C(O)CH3
  399989.4142  0.0225 -6.4448 3  778.7223484  595161404601347 4    601248 4      C-13-H3C(O)CH3
  399989.4142  0.0225 -5.0677 3  778.7223484  595161404601347 4    601348 4      C-13-H3C(O)CH3
  399989.4142  0.0225 -6.4448 3  778.7223484  595161404601447 4    601348 4      C-13-H3C(O)CH3
  400013.3370  0.1426 -6.7316 3 1741.8357668  595161404833449 3    833450 3      C-13-H3C(O)CH3
  400030.3122  0.0044 -3.2764 3  125.7936328 -5951614042020 1 2    1919 1 2      C-13-H3C(O)CH3
  400054.6944  0.1651 -6.4143 3 1741.8281D36  595161404833549 2    833350 2      C-13-H3C(O)CH3
  400054.6944  0.1651 -6.3959 3 1741.8281D36  595161404833449 2    833450 2      C-13-H3C(O)CH3
  400057.1007  0.1815 -6.5316 3 1741.8247D36  595161404833449 1    833350 1      C-13-H3C(O)CH3
  400057.1007  0.1815 -6.5316 3 1741.8247D36  595161404833549 1    833450 1      C-13-H3C(O)CH3
  400058.2189  0.7299 -6.4266 3 1246.9620A80  595161404674225 1    673928 1      C-13-H3C(O)CH3
  400072.7629  0.0043 -3.2762 3  125.7847328 -5951614042020 1 1    1919 1 1      C-13-H3C(O)CH3
  400087.5933  0.1261 -6.2242 3  631.7961776  595161404482820 2    473117 2      C-13-H3C(O)CH3
  400098.4088  0.1855 -6.6387 3 1741.8172D36  595161404833549 0    833450 0      C-13-H3C(O)CH3
  400098.4088  0.1855 -6.6875 3 1741.8172D36  595161404833549 0    833350 0      C-13-H3C(O)CH3
  400098.4088  0.1855 -6.6875 3 1741.8172D36  595161404833449 0    833450 0      C-13-H3C(O)CH3
  400098.4088  0.1855 -6.6387 3 1741.8172D36  595161404833449 0    833350 0      C-13-H3C(O)CH3
  400123.9409  0.0176 -5.0413 3  360.7436584  595161404362412 2    352510 2      C-13-H3C(O)CH3
  400132.4569  0.0347 -6.1715 3  589.7708356  5951614044437 8 4    4338 6 4      C-13-H3C(O)CH3
  400133.1853  0.0357 -5.8161 3  580.3115744  595161404462719 1    462422 1      C-13-H3C(O)CH3
  400147.2508  0.0045 -3.2762 3  125.8651328 -5951614042020 0 0    1919 1 0      C-13-H3C(O)CH3
  400147.2508  0.0045 -3.2762 3  125.8651328 -5951614042020 1 0    1919 0 0      C-13-H3C(O)CH3
  400202.7005  0.0028 -3.6839 3  129.4290360 -5951614042215 7 0    2114 8 0      C-13-H3C(O)CH3
  400229.7480  0.0046 -3.7124 3  129.4317360  5951614042215 7 2    2114 8 2      C-13-H3C(O)CH3
  400313.3439  0.0202 -5.3215 3  360.7157292  595161404362412 4    352510 4      C-13-H3C(O)CH3
  400313.7339  0.0158 -4.4707 3  132.0266360 -5951614042216 7 1    2115 6 1      C-13-H3C(O)CH3
  400322.6366  0.0200 -5.3710 3  360.7143292  595161404362412 3    352510 3      C-13-H3C(O)CH3
  400326.9576  0.0142 -4.7331 3  742.6638952  595161404591347 0    591148 0      C-13-H3C(O)CH3
  400326.9576  0.0142 -5.9205 3  742.6638952  595161404591347 0    591248 0      C-13-H3C(O)CH3
  400326.9576  0.0142 -5.9205 3  742.6638952  595161404591247 0    591148 0      C-13-H3C(O)CH3
  400326.9576  0.0142 -4.7331 3  742.6638952  595161404591247 0    591248 0      C-13-H3C(O)CH3
  400336.8801  0.1786 -6.6970 3  731.2552412  595161404513418 4    513120 4      C-13-H3C(O)CH3
  400347.3576  0.0383 -5.8173 3  580.3275744  595161404462719 0    462422 0      C-13-H3C(O)CH3
  400347.9679  0.0052 -3.7325 3  129.4305360  5951614042215 7 1    2114 8 1      C-13-H3C(O)CH3
  400373.7694  0.0114 -4.7978 3  360.7515584  595161404362412 0    352511 0      C-13-H3C(O)CH3
  400401.5946  0.0184 -4.8484 3  742.6364952  595161404591347 2    591248 2      C-13-H3C(O)CH3
  400401.5946  0.0184 -5.2577 3  742.6364952  595161404591247 2    591248 2      C-13-H3C(O)CH3
  400401.5946  0.0184 -4.8484 3  742.6364952  595161404591247 2    591148 2      C-13-H3C(O)CH3
  400401.5946  0.0184 -5.2577 3  742.6364952  595161404591347 2    591148 2      C-13-H3C(O)CH3
  400401.6418  0.0189 -4.7056 3  742.6366952  595161404591347 1    591148 1      C-13-H3C(O)CH3
  400401.6418  0.0189 -4.7056 3  742.6366952  595161404591247 1    591248 1      C-13-H3C(O)CH3
  400435.4530  0.0347 -6.2364 3  524.5979696  595161404433014 1    432716 1      C-13-H3C(O)CH3
  400455.5692  0.0696 -6.1946 3  631.7942776  595161404482820 1    473117 1      C-13-H3C(O)CH3
  400455.7251  0.0554 -5.5527 3 1287.5255B76  595161404732548 0    732449 0      C-13-H3C(O)CH3
  400455.7251  0.0554 -6.6397 3 1287.5255B76  595161404732548 0    732549 0      C-13-H3C(O)CH3
  400455.7251  0.0554 -5.5776 3 1287.5255B76  595161404732648 0    732549 0      C-13-H3C(O)CH3
  400464.5329  0.0573 -5.5418 3 1287.5447B76  595161404732648 1    732549 1      C-13-H3C(O)CH3
  400464.5329  0.0573 -6.5897 3 1287.5447B76  595161404732548 1    732549 1      C-13-H3C(O)CH3
  400464.5329  0.0573 -5.5822 3 1287.5447B76  595161404732548 1    732449 1      C-13-H3C(O)CH3
  400469.9503  0.0625 -5.8104 3 1287.5461B76  595161404732648 2    732449 2      C-13-H3C(O)CH3
  400469.9503  0.0625 -5.8772 3 1287.5461B76  595161404732648 2    732549 2      C-13-H3C(O)CH3
  400469.9503  0.0625 -5.8772 3 1287.5461B76  595161404732548 2    732449 2      C-13-H3C(O)CH3
  400469.9503  0.0625 -5.8104 3 1287.5461B76  595161404732548 2    732549 2      C-13-H3C(O)CH3
  400476.3719  0.0208 -5.0591 3  742.6092476  595161404591347 3    591148 3      C-13-H3C(O)CH3
  400476.3719  0.0208 -5.0591 3  742.6092476  595161404591247 3    591248 3      C-13-H3C(O)CH3
  400476.3719  0.0208 -5.9474 3  742.6092476  595161404591247 3    591148 3      C-13-H3C(O)CH3
  400476.3719  0.0208 -5.9474 3  742.6092476  595161404591347 3    591248 3      C-13-H3C(O)CH3
  400476.3770  0.0208 -5.6966 3  742.6091476  595161404591347 4    591148 4      C-13-H3C(O)CH3
  400476.3770  0.0208 -5.1054 3  742.6091476  595161404591247 4    591148 4      C-13-H3C(O)CH3
  400476.3770  0.0208 -5.1054 3  742.6091476  595161404591347 4    591248 4      C-13-H3C(O)CH3
  400476.3770  0.0208 -5.6966 3  742.6091476  595161404591247 4    591248 4      C-13-H3C(O)CH3
  400478.8146  0.0555 -6.4584 3 1287.5653588  595161404732548 3    732549 3      C-13-H3C(O)CH3
  400478.8146  0.0555 -5.9630 3 1287.5653588  595161404732648 3    732549 3      C-13-H3C(O)CH3
  400478.8146  0.0555 -5.9630 3 1287.5653588  595161404732548 3    732449 3      C-13-H3C(O)CH3
  400478.8146  0.0555 -6.4584 3 1287.5653588  595161404732648 3    732449 3      C-13-H3C(O)CH3
  400478.8773  0.0555 -6.3674 3 1287.5653588  595161404732648 4    732449 4      C-13-H3C(O)CH3
  400478.8773  0.0555 -5.9966 3 1287.5653588  595161404732648 4    732549 4      C-13-H3C(O)CH3
  400478.8773  0.0555 -5.9966 3 1287.5653588  595161404732548 4    732449 4      C-13-H3C(O)CH3
  400478.8773  0.0555 -6.3674 3 1287.5653588  595161404732548 4    732549 4      C-13-H3C(O)CH3
  400491.7267  0.0124 -5.8343 3  360.7258584  595161404362412 1    352510 1      C-13-H3C(O)CH3
  400509.8099  0.0126 -6.3713 3   53.0057116  5951614041413 2 4    1310 4 4      C-13-H3C(O)CH3
  400512.7827  0.0025 -4.7879 3  256.3299284 -59516140435 728 4    34 727 4      C-13-H3C(O)CH3
  400512.7827  0.0024 -5.4387 3  256.3298284 -59516140435 828 3    34 827 3      C-13-H3C(O)CH3
  400512.7827  0.0024 -5.4387 3  256.3298284 -59516140435 728 3    34 727 3      C-13-H3C(O)CH3
  400512.7827  0.0025 -3.7539 3  256.3299284 -59516140435 828 4    34 727 4      C-13-H3C(O)CH3
  400512.8072  0.0025 -3.7539 3  256.3299284  59516140435 728 4    34 827 4      C-13-H3C(O)CH3
  400512.8072  0.0025 -4.7879 3  256.3299284  59516140435 828 4    34 827 4      C-13-H3C(O)CH3
  400512.8610  0.0024 -3.7238 3  256.3298284  59516140435 728 3    34 827 3      C-13-H3C(O)CH3
  400512.8610  0.0024 -3.7238 3  256.3298284  59516140435 828 3    34 727 3      C-13-H3C(O)CH3
  400523.2342  0.0211 -5.7754 3  412.4816632  595161404392217 2    391920 2      C-13-H3C(O)CH3
  400539.6266  0.3517 -6.4664 3  788.3226428  595161404533518 4    533221 4      C-13-H3C(O)CH3
  400553.9623  0.0226 -5.1643 3  360.7292584  595161404362412 2    352511 2      C-13-H3C(O)CH3
  400559.7714  0.0028 -3.9341 3  256.3367568 -59516140435 828 1    34 727 1      C-13-H3C(O)CH3
  400559.7714  0.0028 -3.5707 3  256.3367568 -59516140435 728 1    34 727 1      C-13-H3C(O)CH3
  400559.8062  0.0028 -3.5707 3  256.3367568  59516140435 828 1    34 827 1      C-13-H3C(O)CH3
  400559.8062  0.0028 -3.9341 3  256.3367568  59516140435 728 1    34 827 1      C-13-H3C(O)CH3
  400560.7172  0.0028 -5.6789 3  256.3358568  59516140435 728 2    34 827 2      C-13-H3C(O)CH3
  400560.7172  0.0028 -5.6789 3  256.3358568  59516140435 828 2    34 727 2      C-13-H3C(O)CH3
  400560.7218  0.0028 -3.4168 3  256.3358568 -59516140435 828 2    34 827 2      C-13-H3C(O)CH3
  400560.7218  0.0028 -3.4168 3  256.3358568 -59516140435 728 2    34 727 2      C-13-H3C(O)CH3
  400574.3923  0.0120 -4.8393 3  360.7230584  595161404362412 1    352511 1      C-13-H3C(O)CH3
  400597.1241  0.0236 -6.0761 3  412.4569316  595161404392217 3    391920 3      C-13-H3C(O)CH3
  400600.2633  0.0329 -5.8749 3  524.6136696  595161404433013 0    432716 0      C-13-H3C(O)CH3
  400603.4088  0.0228 -6.0761 3  412.4568316  595161404392217 4    391920 4      C-13-H3C(O)CH3
  400607.5688  0.0023 -3.6439 3  256.3427568  59516140435 728 0    34 827 0      C-13-H3C(O)CH3
  400607.5688  0.0023 -3.6439 3  256.3427568  59516140435 828 0    34 727 0      C-13-H3C(O)CH3
  400607.5771  0.0023 -3.8010 3  256.3427568 -59516140435 828 0    34 827 0      C-13-H3C(O)CH3
  400607.5771  0.0023 -3.8010 3  256.3427568 -59516140435 728 0    34 727 0      C-13-H3C(O)CH3
  400644.9000  0.0139 -6.5503 3   53.0848116  5951614041413 1 3    1310 3 3      C-13-H3C(O)CH3
  400671.6168  0.6854 -6.7284 3 1246.9607540  595161404674225 3    673928 3      C-13-H3C(O)CH3
  400671.9584  0.0551 -6.5494 3  524.5769348  595161404433014 4    432716 4      C-13-H3C(O)CH3
  400676.3640  0.1373 -6.0949 3  731.2805824  595161404513417 1    513120 1      C-13-H3C(O)CH3
  400677.2714  0.0144 -5.7755 3  412.5099632  595161404392217 0    391920 0      C-13-H3C(O)CH3
  400701.7060  0.7504 -6.7295 3 1246.9608540  595161404674225 4    673928 4      C-13-H3C(O)CH3
  400708.9652  0.0263 -5.4290 3  360.7015292  595161404362412 3    352511 3      C-13-H3C(O)CH3
  400710.3826  0.0156 -4.3166 3  132.0248360 -5951614042216 7 2    2115 6 2      C-13-H3C(O)CH3
  400717.2597  0.0113 -4.1121 3  129.4289180  5951614042215 7 4    2114 8 4      C-13-H3C(O)CH3
  400751.7388  0.0166 -5.7752 3  412.4852632  595161404392217 1    391920 1      C-13-H3C(O)CH3
  400784.6102  0.0266 -5.4940 3  360.7000292  595161404362412 4    352511 4      C-13-H3C(O)CH3
  400798.2409  0.0269 -6.0724 3  572.1078372  595161404462521 3    452818 3      C-13-H3C(O)CH3
  400828.9853  0.0125 -5.6203 3  707.1402936  595161404581147 0    581048 0      C-13-H3C(O)CH3
  400828.9853  0.0125 -4.7174 3  707.1402936  595161404581147 0    581148 0      C-13-H3C(O)CH3
  400828.9853  0.0125 -5.6203 3  707.1402936  595161404581247 0    581148 0      C-13-H3C(O)CH3
  400828.9853  0.0125 -4.7174 3  707.1402936  595161404581247 0    581048 0      C-13-H3C(O)CH3
  400831.3873  0.0509 -6.2396 3  524.5916696  595161404433014 2    432716 2      C-13-H3C(O)CH3
  400853.5131  0.0254 -6.0727 3  572.1060372  595161404462521 4    452818 4      C-13-H3C(O)CH3
  400862.8112  0.0073 -4.0256 3  114.5745344  5951614042113 8 2    2012 9 2      C-13-H3C(O)CH3
  400883.0105  0.0174 -5.5078 3  707.1105936  595161404581147 2    581048 2      C-13-H3C(O)CH3
  400883.0105  0.0174 -5.5078 3  707.1105936  595161404581247 2    581148 2      C-13-H3C(O)CH3
  400883.0105  0.0174 -4.7335 3  707.1105936  595161404581247 2    581048 2      C-13-H3C(O)CH3
  400883.0105  0.0174 -4.7335 3  707.1105936  595161404581147 2    581148 2      C-13-H3C(O)CH3
  400883.2022  0.0178 -5.2084 3  707.1108936  595161404581147 1    581148 1      C-13-H3C(O)CH3
  400883.2022  0.0178 -4.8128 3  707.1108936  595161404581147 1    581048 1      C-13-H3C(O)CH3
  400883.2022  0.0178 -5.2084 3  707.1108936  595161404581247 1    581048 1      C-13-H3C(O)CH3
  400883.2022  0.0178 -4.8128 3  707.1108936  595161404581247 1    581148 1      C-13-H3C(O)CH3
  400901.8586  0.0063 -4.0240 3  114.5622344 -5951614042113 8 0    2012 9 0      C-13-H3C(O)CH3
  400937.2268  0.0191 -4.9689 3  707.0810468  595161404581147 4    581048 4      C-13-H3C(O)CH3
  400937.2268  0.0191 -4.9689 3  707.0810468  595161404581247 4    581148 4      C-13-H3C(O)CH3
  400937.2975  0.0191 -4.9701 3  707.0810468  595161404581147 3    581048 3      C-13-H3C(O)CH3
  400937.2975  0.0191 -4.9701 3  707.0810468  595161404581247 3    581148 3      C-13-H3C(O)CH3
  400977.3495  0.1551 -6.7265 3  744.6050840  595161404523121 1    513418 1      C-13-H3C(O)CH3
  401004.5656  0.0307 -5.7702 3  572.1173744  595161404462521 2    452818 2      C-13-H3C(O)CH3
  401011.6474  0.0087 -4.3298 3  114.5903172  5951614042113 8 3    2012 9 3      C-13-H3C(O)CH3
  401029.4344  0.0054 -4.1389 3  206.2769228  595161404281513 3    271612 3      C-13-H3C(O)CH3
  401035.8921  0.0041 -3.8392 3  206.2849456 -595161404281513 2    271612 2      C-13-H3C(O)CH3
  401040.2669  0.0042 -4.1389 3  206.2768228  595161404281513 4    271612 4      C-13-H3C(O)CH3
  401042.9588  0.0820 -6.1471 3  631.7964776  595161404482820 0    473117 0      C-13-H3C(O)CH3
  401058.0085  0.0099 -4.3312 3  114.5896172  5951614042113 8 4    2012 9 4      C-13-H3C(O)CH3
  401070.3843  0.0073 -4.0278 3  114.5776344  5951614042113 8 1    2012 9 1      C-13-H3C(O)CH3
  401073.3857  0.0240 -6.0062 3  498.5898680  595161404422914 1    422617 1      C-13-H3C(O)CH3
  401084.7408  0.0232 -5.6590 3  554.9016696  5951614044335 8 1    4236 6 1      C-13-H3C(O)CH3
  401099.6875  0.0250 -5.7708 3  572.1186744  595161404462521 1    452818 1      C-13-H3C(O)CH3
  401108.8791  0.0354 -6.3418 3  498.5707340  595161404422914 4    422617 4      C-13-H3C(O)CH3
  401114.4039  0.0233 -5.6582 3  554.8912696  5951614044335 9 0    4236 6 0      C-13-H3C(O)CH3
  401114.4040  0.0233 -5.6582 3  554.8912696  5951614044335 8 0    4236 7 0      C-13-H3C(O)CH3
  401126.0384  0.0044 -3.8379 3  206.2899456  595161404281513 1    271612 1      C-13-H3C(O)CH3
  401129.2026  0.0037 -3.8392 3  206.2979456 -595161404281513 0    271612 0      C-13-H3C(O)CH3
  401146.3575  0.0879 -5.9316 3  676.3802792  595161404493316 0    493019 0      C-13-H3C(O)CH3
  401174.5263  0.1275 -6.5959 3 1692.5046660  595161404823449 4    823350 4      C-13-H3C(O)CH3
  401179.2732  0.0103 -5.8157 3  328.2628568  595161404352016 2    351719 2      C-13-H3C(O)CH3
  401183.6592  0.0092 -5.8151 3  328.2902568  595161404352016 0    351719 0      C-13-H3C(O)CH3
  401197.4128  0.0222 -5.7953 3  498.6057680  595161404422914 0    422617 0      C-13-H3C(O)CH3
  401215.9384  0.1460 -6.4754 3 1692.4945D20  595161404823349 2    823350 2      C-13-H3C(O)CH3
  401215.9384  0.1460 -6.6904 3 1692.4945D20  595161404823449 2    823350 2      C-13-H3C(O)CH3
  401215.9384  0.1460 -6.3034 3 1692.4945D20  595161404823449 2    823250 2      C-13-H3C(O)CH3
  401216.9321  0.1588 -6.3591 3 1692.4911D20  595161404823349 1    823350 1      C-13-H3C(O)CH3
  401216.9321  0.1588 -6.2696 3 1692.4911D20  595161404823449 1    823250 1      C-13-H3C(O)CH3
  401235.9232  0.0147 -6.5500 3   53.0609116  5951614041413 2 3    1310 4 3      C-13-H3C(O)CH3
  401249.5029  0.0034 -3.6873 3  128.0262172 -5951614042118 3 4    2017 3 4      C-13-H3C(O)CH3
  401249.5694  0.0110 -6.1168 3  328.2387284  595161404352016 4    351719 4      C-13-H3C(O)CH3
  401250.1495  0.0107 -6.1168 3  328.2388284  595161404352016 3    351719 3      C-13-H3C(O)CH3
  401254.0933  0.0101 -5.8154 3  328.2662568  595161404352016 1    351719 1      C-13-H3C(O)CH3
  401258.2399  0.1632 -6.2803 3 1692.4811D20  595161404823349 0    823350 0      C-13-H3C(O)CH3
  401258.2399  0.1632 -6.2803 3 1692.4811D20  595161404823449 0    823250 0      C-13-H3C(O)CH3
  401261.2429  0.0522 -5.4691 3 1243.8835B60  595161404722548 0    722349 0      C-13-H3C(O)CH3
  401261.2429  0.0522 -5.4691 3 1243.8835B60  595161404722448 0    722449 0      C-13-H3C(O)CH3
  401272.9247  0.0402 -6.1225 3  524.5979696  595161404433013 1    432716 1      C-13-H3C(O)CH3
  401277.9175  0.0270 -5.7695 3  572.1290744  595161404462521 0    452818 0      C-13-H3C(O)CH3
  401280.6096  0.0123 -3.9962 3  132.0097180  5951614042216 7 3    2115 6 3      C-13-H3C(O)CH3
  401281.2291  0.0559 -5.6458 3 1243.9015B60  595161404722548 1    722449 1      C-13-H3C(O)CH3
  401281.2291  0.0559 -5.9343 3 1243.9015B60  595161404722448 1    722449 1      C-13-H3C(O)CH3
  401281.2291  0.0559 -5.6458 3 1243.9015B60  595161404722448 1    722349 1      C-13-H3C(O)CH3
  401281.2291  0.0559 -5.9343 3 1243.9015B60  595161404722548 1    722349 1      C-13-H3C(O)CH3
  401281.3912  0.2503 -6.1213 3  731.2728824  595161404513417 2    513120 2      C-13-H3C(O)CH3
  401286.6161  0.0608 -5.5136 3 1243.9026B60  595161404722448 2    722449 2      C-13-H3C(O)CH3
  401286.6161  0.0608 -6.4449 3 1243.9026B60  595161404722448 2    722349 2      C-13-H3C(O)CH3
  401286.6161  0.0608 -5.5136 3 1243.9026B60  595161404722548 2    722349 2      C-13-H3C(O)CH3
  401286.6161  0.0608 -6.4449 3 1243.9026B60  595161404722548 2    722449 2      C-13-H3C(O)CH3
  401294.0169  0.0317 -6.0279 3  498.5872680  595161404422914 2    422617 2      C-13-H3C(O)CH3
  401306.6692  0.0516 -6.3962 3 1243.9207580  595161404722448 3    722449 3      C-13-H3C(O)CH3
  401306.6692  0.0516 -5.8826 3 1243.9207580  595161404722548 3    722449 3      C-13-H3C(O)CH3
  401306.6692  0.0516 -6.3962 3 1243.9207580  595161404722548 3    722349 3      C-13-H3C(O)CH3
  401306.6692  0.0516 -5.8826 3 1243.9207580  595161404722448 3    722349 3      C-13-H3C(O)CH3
  401306.7533  0.0517 -5.7667 3 1243.9207580  595161404722448 4    722449 4      C-13-H3C(O)CH3
  401306.7533  0.0517 -5.7667 3 1243.9207580  595161404722548 4    722349 4      C-13-H3C(O)CH3
  401319.9645  0.0116 -4.6316 3  672.2003920  595161404571047 0    57 948 0      C-13-H3C(O)CH3
  401319.9645  0.0116 -4.6316 3  672.2003920  595161404571147 0    571048 0      C-13-H3C(O)CH3
  401322.6018  0.0819 -6.4100 3  676.3630792  595161404493317 1    493019 1      C-13-H3C(O)CH3
  401338.6089  0.0257 -5.6583 3  554.8592696  5951614044335 9 1    4236 7 1      C-13-H3C(O)CH3
  401345.9978  0.0171 -4.8672 3  672.1694920  595161404571047 2    571048 2      C-13-H3C(O)CH3
  401345.9978  0.0171 -4.8672 3  672.1694920  595161404571147 2    57 948 2      C-13-H3C(O)CH3
  401345.9978  0.0171 -5.0090 3  672.1694920  595161404571047 2    57 948 2      C-13-H3C(O)CH3
  401345.9978  0.0171 -5.0090 3  672.1694920  595161404571147 2    571048 2      C-13-H3C(O)CH3
  401346.2392  0.0174 -5.5054 3  672.1698920  595161404571147 1    571048 1      C-13-H3C(O)CH3
  401346.2392  0.0174 -4.6936 3  672.1698920  595161404571047 1    571048 1      C-13-H3C(O)CH3
  401346.2392  0.0174 -4.6936 3  672.1698920  595161404571147 1    57 948 1      C-13-H3C(O)CH3
  401346.2392  0.0174 -5.5054 3  672.1698920  595161404571047 1    57 948 1      C-13-H3C(O)CH3
  401347.2612  0.0030 -3.6872 3  127.9618172 -5951614042118 3 3    2017 3 3      C-13-H3C(O)CH3
  401349.4478  0.0268 -5.9604 3  554.9055348  5951614044335 8 4    4236 6 4      C-13-H3C(O)CH3
  401353.6372  0.0195 -6.6971 3  268.3581244  5951614043025 6 3    3022 8 3      C-13-H3C(O)CH3
  401372.1528  0.0174 -4.9343 3  672.1388460  595161404571147 4    571048 4      C-13-H3C(O)CH3
  401372.1528  0.0174 -4.9343 3  672.1388460  595161404571047 4    57 948 4      C-13-H3C(O)CH3
  401372.3105  0.0174 -5.1571 3  672.1388460  595161404571047 3    571048 3      C-13-H3C(O)CH3
  401372.3105  0.0174 -5.3256 3  672.1388460  595161404571147 3    571048 3      C-13-H3C(O)CH3
  401372.3105  0.0174 -5.1571 3  672.1388460  595161404571147 3    57 948 3      C-13-H3C(O)CH3
  401372.3105  0.0174 -5.3256 3  672.1388460  595161404571047 3    57 948 3      C-13-H3C(O)CH3
  401378.0491  0.0228 -5.6585 3  554.8953696  5951614044335 8 2    4236 6 2      C-13-H3C(O)CH3
  401378.7139  0.0130 -6.3845 3   53.1399116  5951614041413 1 4    1310 3 4      C-13-H3C(O)CH3
  401394.6203  0.0032 -3.6869 3  127.9580172 -5951614042118 4 3    2017 4 3      C-13-H3C(O)CH3
  401440.7605  0.0268 -5.9592 3  554.8826348  5951614044335 8 3    4236 6 3      C-13-H3C(O)CH3
  401452.2012  0.0114 -6.0819 3   53.0027232  5951614041413 2 1    1310 4 1      C-13-H3C(O)CH3
  401465.1371  0.0236 -6.6994 3  268.3692244  5951614043025 5 4    3022 8 4      C-13-H3C(O)CH3
  401470.8832  0.0236 -5.6573 3  554.8722696  5951614044335 9 2    4236 7 2      C-13-H3C(O)CH3
  401477.1594  0.0029 -3.3856 3  128.0087344 -5951614042118 3 1    2017 3 1      C-13-H3C(O)CH3
  401492.4065  0.0029 -3.6867 3  127.8937172 -5951614042118 4 4    2017 4 4      C-13-H3C(O)CH3
  401527.7524  0.0030 -3.3854 3  128.0186344 -5951614042118 3 2    2017 3 2      C-13-H3C(O)CH3
  401558.2938  0.0629 -6.5938 3  524.5751348  595161404433014 3    432716 3      C-13-H3C(O)CH3
  401572.9009  0.0071 -5.0466 3  331.9358284  595161404352115 3    342212 3      C-13-H3C(O)CH3
  401574.1013  0.0024 -5.9242 3  261.6467292  59516140436 630 4    35 629 4      C-13-H3C(O)CH3
  401574.1013  0.0024 -3.6918 3  261.6467292  59516140436 730 4    35 629 4      C-13-H3C(O)CH3
  401574.1324  0.0024 -3.6918 3  261.6467292 -59516140436 630 4    35 729 4      C-13-H3C(O)CH3
  401574.1324  0.0024 -3.9044 3  261.6467292 -59516140436 630 3    35 729 3      C-13-H3C(O)CH3
  401574.1324  0.0024 -4.0975 3  261.6467292 -59516140436 730 3    35 729 3      C-13-H3C(O)CH3
  401574.1324  0.0024 -5.9242 3  261.6467292 -59516140436 730 4    35 729 4      C-13-H3C(O)CH3
  401574.1417  0.0024 -3.9044 3  261.6467292  59516140436 730 3    35 629 3      C-13-H3C(O)CH3
  401574.1417  0.0024 -4.0975 3  261.6467292  59516140436 630 3    35 629 3      C-13-H3C(O)CH3
  401587.2136  0.0060 -5.0460 3  331.9353284  595161404352115 4    342212 4      C-13-H3C(O)CH3
  401595.1923  0.0105 -6.0862 3   53.0094232  5951614041413 2 2    1310 4 2      C-13-H3C(O)CH3
  401601.6787  0.0279 -5.9596 3  554.8632348  5951614044335 9 3    4236 7 3      C-13-H3C(O)CH3
  401619.7223  0.0029 -3.5369 3  261.6493584  59516140436 630 1    35 729 1      C-13-H3C(O)CH3
  401619.7223  0.0029 -3.9258 3  261.6493584  59516140436 730 1    35 729 1      C-13-H3C(O)CH3
  401619.7656  0.0029 -3.4354 3  261.6493584 -59516140436 630 1    35 629 1      C-13-H3C(O)CH3
  401619.7656  0.0029 -4.3751 3  261.6493584 -59516140436 730 1    35 629 1      C-13-H3C(O)CH3
  401620.3018  0.0028 -3.3936 3  261.6486584 -59516140436 630 2    35 629 2      C-13-H3C(O)CH3
  401620.3018  0.0028 -3.3936 3  261.6486584 -59516140436 730 2    35 729 2      C-13-H3C(O)CH3
  401620.3546  0.0028 -5.2992 3  261.6486584  59516140436 730 2    35 629 2      C-13-H3C(O)CH3
  401620.3546  0.0028 -5.2992 3  261.6486584  59516140436 630 2    35 729 2      C-13-H3C(O)CH3
  401621.5801  0.0029 -3.3852 3  127.9406344 -5951614042118 4 1    2017 4 1      C-13-H3C(O)CH3
  401621.7244  0.0063 -4.7438 3  331.9550568  595161404352115 2    342212 2      C-13-H3C(O)CH3
  401624.7306  0.0029 -3.3853 3  127.9542344 -5951614042118 4 2    2017 4 2      C-13-H3C(O)CH3
  401665.8129  0.0023 -3.4558 3  261.6512584 -59516140436 630 0    35 729 0      C-13-H3C(O)CH3
  401665.8129  0.0023 -4.2289 3  261.6512584 -59516140436 730 0    35 729 0      C-13-H3C(O)CH3
  401665.8430  0.0023 -4.2289 3  261.6512584  59516140436 630 0    35 629 0      C-13-H3C(O)CH3
  401665.8430  0.0023 -3.4558 3  261.6512584  59516140436 730 0    35 629 0      C-13-H3C(O)CH3
  401682.5400  0.0059 -4.7460 3  331.9584568  595161404352115 1    342212 1      C-13-H3C(O)CH3
  401686.7835  0.1380 -6.3716 3  676.3545792  595161404493317 2    493019 2      C-13-H3C(O)CH3
  401692.8341  0.0290 -5.9584 3  554.8401348  5951614044335 9 4    4236 7 4      C-13-H3C(O)CH3
  401726.4864  0.0053 -4.7445 3  331.9776568  595161404352115 0    342212 0      C-13-H3C(O)CH3
  401741.1375  0.0214 -6.6925 3  268.3354244  5951614043025 6 4    3022 9 4      C-13-H3C(O)CH3
  401754.1150  0.0031 -3.3847 3  128.0011344 -5951614042118 4 0    2017 3 0      C-13-H3C(O)CH3
  401755.0186  0.0031 -3.3847 3  128.0011344 -5951614042118 3 0    2017 4 0      C-13-H3C(O)CH3
  401756.1260  0.0110 -6.0885 3   53.0762232  5951614041413 1 1    1310 3 1      C-13-H3C(O)CH3
  401781.2992  0.0159 -6.2121 3  637.7838452  595161404561047 4    56 848 4      C-13-H3C(O)CH3
  401781.2992  0.0159 -4.9250 3  637.7838452  595161404561047 4    56 948 4      C-13-H3C(O)CH3
  401781.2992  0.0159 -6.2121 3  637.7838452  59516140456 947 4    56 948 4      C-13-H3C(O)CH3
  401781.2992  0.0159 -4.9250 3  637.7838452  59516140456 947 4    56 848 4      C-13-H3C(O)CH3
  401781.5498  0.0159 -5.5119 3  637.7838452  595161404561047 3    56 948 3      C-13-H3C(O)CH3
  401781.5498  0.0159 -5.0258 3  637.7838452  595161404561047 3    56 848 3      C-13-H3C(O)CH3
  401781.5498  0.0159 -5.5119 3  637.7838452  59516140456 947 3    56 848 3      C-13-H3C(O)CH3
  401781.5498  0.0159 -5.0258 3  637.7838452  59516140456 947 3    56 948 3      C-13-H3C(O)CH3
  401791.6262  0.0171 -4.6036 3  637.8140904  595161404561047 2    56 948 2      C-13-H3C(O)CH3
  401791.6262  0.0171 -4.6036 3  637.8140904  59516140456 947 2    56 848 2      C-13-H3C(O)CH3
  401791.8344  0.0173 -5.9304 3  637.8143904  59516140456 947 1    56 848 1      C-13-H3C(O)CH3
  401791.8344  0.0173 -4.6230 3  637.8143904  59516140456 947 1    56 948 1      C-13-H3C(O)CH3
  401791.8344  0.0173 -5.9304 3  637.8143904  595161404561047 1    56 948 1      C-13-H3C(O)CH3
  401791.8344  0.0173 -4.6230 3  637.8143904  595161404561047 1    56 848 1      C-13-H3C(O)CH3
  401795.7571  0.0027 -3.5590 3  132.0117360 -5951614042216 7 0    2115 6 0      C-13-H3C(O)CH3
  401801.9043  0.0115 -5.1687 3  637.8445904  59516140456 947 0    56 848 0      C-13-H3C(O)CH3
  401801.9043  0.0115 -5.1687 3  637.8445904  595161404561047 0    56 948 0      C-13-H3C(O)CH3
  401801.9043  0.0115 -4.7396 3  637.8445904  595161404561047 0    56 848 0      C-13-H3C(O)CH3
  401801.9043  0.0115 -4.7396 3  637.8445904  59516140456 947 0    56 948 0      C-13-H3C(O)CH3
  401811.2605  0.0186 -6.3965 3  268.3860488  5951614043025 5 1    3022 8 1      C-13-H3C(O)CH3
  401840.0364  0.0044 -4.4385 3  132.0097180 -5951614042216 6 3    2115 6 3      C-13-H3C(O)CH3
  401843.7244  0.0400 -6.2547 3  498.5717340  595161404422914 3    422617 3      C-13-H3C(O)CH3
  401852.6658  0.0200 -6.6984 3  268.3465244  5951614043025 5 3    3022 9 3      C-13-H3C(O)CH3
  401863.0628  0.1722 -6.5786 3  744.5974840  595161404523121 0    513418 0      C-13-H3C(O)CH3
  401868.0024  0.0308 -6.2101 3  498.5898680  595161404422913 1    422617 1      C-13-H3C(O)CH3
  401894.9096  0.0275 -6.0319 3  670.2074808  595161404502624 1    492921 1      C-13-H3C(O)CH3
  401905.5966  0.0249 -6.0325 3  670.2155808  595161404502624 0    492921 0      C-13-H3C(O)CH3
  401908.4945  0.0254 -6.3311 3  670.1966404  595161404502624 3    492921 3      C-13-H3C(O)CH3
  401909.6098  0.0700 -6.3865 3  524.5751348  595161404433013 3    432716 3      C-13-H3C(O)CH3
  401917.5916  0.0257 -6.3310 3  670.1963404  595161404502624 4    492921 4      C-13-H3C(O)CH3
  401925.3478  0.0253 -6.0305 3  670.2045808  595161404502624 2    492921 2      C-13-H3C(O)CH3
  401938.9767  0.0103 -6.3488 3  247.7410488  595161404302010 1    301515 1      C-13-H3C(O)CH3
  401956.8808  0.2317 -6.2957 3  731.2541412  595161404513417 3    513120 3      C-13-H3C(O)CH3
  401965.3074  0.0104 -6.6507 3  247.7206244  595161404302010 3    301515 3      C-13-H3C(O)CH3
  401977.9286  0.0029 -3.8800 3  132.0491180 -5951614042216 6 4    2115 6 4      C-13-H3C(O)CH3
  401985.5953  0.0097 -6.6542 3  247.7206244  595161404302010 4    301515 4      C-13-H3C(O)CH3
  401998.9169  0.0432 -6.2688 3  573.0152728  595161404453115 1    452817 1      C-13-H3C(O)CH3
  402005.7267  0.0110 -6.0928 3   53.0751232  5951614041413 1 2    1310 3 2      C-13-H3C(O)CH3
  402012.6617  0.0640 -6.1223 3  524.5916696  595161404433013 2    432716 2      C-13-H3C(O)CH3
  402030.6474  0.0107 -6.3432 3  247.7563488  595161404302010 0    301515 0      C-13-H3C(O)CH3
  402032.9467  0.0498 -5.4223 3 1200.8142B44  595161404712348 0    712249 0      C-13-H3C(O)CH3
  402032.9467  0.0498 -6.5552 3 1200.8142B44  595161404712348 0    712349 0      C-13-H3C(O)CH3
  402032.9467  0.0498 -5.4223 3 1200.8142B44  595161404712448 0    712349 0      C-13-H3C(O)CH3
  402032.9467  0.0498 -6.5552 3 1200.8142B44  595161404712448 0    712249 0      C-13-H3C(O)CH3
  402045.6425  0.0424 -5.8871 3  573.0308728  595161404453114 0    452817 0      C-13-H3C(O)CH3
  402048.0325  0.1349 -6.6309 3  676.3382396  595161404493317 4    493019 4      C-13-H3C(O)CH3
  402054.8886  0.0185 -6.3971 3  268.3803488  5951614043025 6 2    3022 9 2      C-13-H3C(O)CH3
  402064.7554  0.0549 -5.4967 3 1200.8304B44  595161404712348 1    712349 1      C-13-H3C(O)CH3
  402064.7554  0.0549 -6.0582 3 1200.8304B44  595161404712348 1    712249 1      C-13-H3C(O)CH3
  402064.7554  0.0549 -5.4967 3 1200.8304B44  595161404712448 1    712249 1      C-13-H3C(O)CH3
  402064.7554  0.0549 -6.0582 3 1200.8304B44  595161404712448 1    712349 1      C-13-H3C(O)CH3
  402069.9581  0.0593 -5.4105 3 1200.8313B44  595161404712448 2    712349 2      C-13-H3C(O)CH3
  402069.9581  0.0593 -5.4105 3 1200.8313B44  595161404712348 2    712249 2      C-13-H3C(O)CH3
  402070.9006  0.0104 -6.3461 3  247.7359488  595161404302010 2    301515 2      C-13-H3C(O)CH3
  402095.5132  0.0068 -6.4545 3  199.1970228  595161404281315 3    281018 3      C-13-H3C(O)CH3
  402095.6879  0.0081 -6.4546 3  199.1970228  595161404281315 4    281018 4      C-13-H3C(O)CH3
  402101.8439  0.0482 -5.8978 3 1200.8475572  595161404712348 3    712349 3      C-13-H3C(O)CH3
  402101.8439  0.0482 -6.1161 3 1200.8475572  595161404712448 3    712349 3      C-13-H3C(O)CH3
  402101.8439  0.0482 -6.1161 3 1200.8475572  595161404712348 3    712249 3      C-13-H3C(O)CH3
  402101.8439  0.0482 -5.8978 3 1200.8475572  595161404712448 3    712249 3      C-13-H3C(O)CH3
  402101.9495  0.0482 -5.8822 3 1200.8476572  595161404712348 4    712349 4      C-13-H3C(O)CH3
  402101.9495  0.0482 -6.1432 3 1200.8476572  595161404712348 4    712249 4      C-13-H3C(O)CH3
  402101.9495  0.0482 -5.8822 3 1200.8476572  595161404712448 4    712249 4      C-13-H3C(O)CH3
  402101.9495  0.0482 -6.1432 3 1200.8476572  595161404712448 4    712349 4      C-13-H3C(O)CH3
  402126.7007  0.0027 -3.6165 3  132.0266360 -5951614042216 6 1    2115 6 1      C-13-H3C(O)CH3
  402135.5365  0.0104 -6.0781 3   53.0197232  5951614041413 2 0    1310 3 0      C-13-H3C(O)CH3
  402140.0308  0.0068 -6.4545 3  199.1970228  595161404281415 3    281118 3      C-13-H3C(O)CH3
  402140.0371  0.0081 -6.4545 3  199.1970228  595161404281415 4    281118 4      C-13-H3C(O)CH3
  402164.7741  0.0147 -4.8925 3  604.0169444  59516140455 847 4    55 848 4      C-13-H3C(O)CH3
  402164.7741  0.0147 -6.4499 3  604.0169444  59516140455 847 4    55 748 4      C-13-H3C(O)CH3
  402164.7741  0.0147 -5.9344 3  604.0169444  59516140455 947 4    55 848 4      C-13-H3C(O)CH3
  402164.7741  0.0147 -4.9208 3  604.0169444  59516140455 947 4    55 748 4      C-13-H3C(O)CH3
  402165.1155  0.0146 -4.8931 3  604.0169444  59516140455 947 3    55 848 3      C-13-H3C(O)CH3
  402165.1155  0.0146 -4.8931 3  604.0169444  59516140455 847 3    55 748 3      C-13-H3C(O)CH3
  402165.1155  0.0146 -6.4293 3  604.0169444  59516140455 847 3    55 848 3      C-13-H3C(O)CH3
  402165.1155  0.0146 -6.4293 3  604.0169444  59516140455 947 3    55 748 3      C-13-H3C(O)CH3
  402167.4322  0.0179 -6.4012 3  268.3915488  5951614043025 5 2    3022 8 2      C-13-H3C(O)CH3
  402168.3281  0.0030 -3.6424 3  132.0248360 -5951614042216 6 2    2115 6 2      C-13-H3C(O)CH3
  402168.4179  0.0595 -5.9065 3  623.6215760  595161404473215 0    472918 0      C-13-H3C(O)CH3
  402184.8402  0.0029 -3.8811 3  131.9354180 -5951614042216 7 4    2115 7 4      C-13-H3C(O)CH3
  402192.9697  0.0185 -6.3937 3  268.3634488  5951614043025 6 1    3022 9 1      C-13-H3C(O)CH3
  402220.9407  0.0169 -5.8764 3  604.0450888  59516140455 847 2    55 848 2      C-13-H3C(O)CH3
  402220.9407  0.0169 -4.6020 3  604.0450888  59516140455 847 2    55 748 2      C-13-H3C(O)CH3
  402220.9407  0.0169 -4.6020 3  604.0450888  59516140455 947 2    55 848 2      C-13-H3C(O)CH3
  402220.9407  0.0169 -5.8764 3  604.0450888  59516140455 947 2    55 748 2      C-13-H3C(O)CH3
  402221.0539  0.0171 -4.5795 3  604.0453888  59516140455 947 1    55 748 1      C-13-H3C(O)CH3
  402221.0539  0.0171 -4.5795 3  604.0453888  59516140455 847 1    55 848 1      C-13-H3C(O)CH3
  402229.1159  0.0067 -6.1523 3  199.2029456  595161404281315 2    281018 2      C-13-H3C(O)CH3
  402244.2902  0.0579 -6.3237 3  623.6053760  595161404473216 1    472918 1      C-13-H3C(O)CH3
  402274.6351  0.0067 -6.1522 3  199.2029456  595161404281415 2    281118 2      C-13-H3C(O)CH3
  402276.8121  0.0118 -4.6751 3  604.0733888  59516140455 847 0    55 848 0      C-13-H3C(O)CH3
  402276.8121  0.0118 -5.2834 3  604.0733888  59516140455 847 0    55 748 0      C-13-H3C(O)CH3
  402276.8121  0.0118 -4.6751 3  604.0733888  59516140455 947 0    55 748 0      C-13-H3C(O)CH3
  402276.8121  0.0118 -5.2834 3  604.0733888  59516140455 947 0    55 848 0      C-13-H3C(O)CH3
  402281.3800  0.0472 -6.6162 3  498.5717340  595161404422913 3    422617 3      C-13-H3C(O)CH3
  402283.9722  0.0067 -6.1519 3  199.2048456  595161404281315 1    281018 1      C-13-H3C(O)CH3
  402290.7309  0.1141 -6.6006 3 1643.7339652  595161404813249 4    813250 4      C-13-H3C(O)CH3
  402290.7309  0.1141 -6.4902 3 1643.7339652  595161404813349 4    813150 4      C-13-H3C(O)CH3
  402290.7880  0.1141 -6.5843 3 1643.7339652  595161404813249 3    813150 3      C-13-H3C(O)CH3
  402290.7880  0.1141 -6.5843 3 1643.7339652  595161404813349 3    813250 3      C-13-H3C(O)CH3
  402320.3173  0.0046 -4.4372 3  131.9750180 -5951614042216 7 3    2115 7 3      C-13-H3C(O)CH3
  402327.8704  0.0067 -6.1518 3  199.2048456  595161404281415 1    281118 1      C-13-H3C(O)CH3
  402330.5877  0.1377 -6.2169 3 1643.7182D04  595161404813349 1    813250 1      C-13-H3C(O)CH3
  402330.5877  0.1377 -6.2169 3 1643.7182D04  595161404813249 1    813150 1      C-13-H3C(O)CH3
  402330.9365  0.1284 -6.2445 3 1643.7215D04  595161404813249 2    813150 2      C-13-H3C(O)CH3
  402330.9365  0.1284 -6.2445 3 1643.7215D04  595161404813349 2    813250 2      C-13-H3C(O)CH3
  402365.6798  0.0029 -3.6167 3  131.9582360 -5951614042216 7 1    2115 7 1      C-13-H3C(O)CH3
  402370.7094  0.1424 -6.4788 3 1643.7058D04  595161404813249 0    813250 0      C-13-H3C(O)CH3
  402370.7094  0.1424 -6.4781 3 1643.7058D04  595161404813249 0    813150 0      C-13-H3C(O)CH3
  402370.7094  0.1424 -6.4788 3 1643.7058D04  595161404813349 0    813150 0      C-13-H3C(O)CH3
  402370.7094  0.1424 -6.4781 3 1643.7058D04  595161404813349 0    813250 0      C-13-H3C(O)CH3
  402392.2463  0.0735 -6.5611 3  572.9929364  595161404453115 4    452817 4      C-13-H3C(O)CH3
  402402.8336  0.0700 -6.2615 3  573.0076728  595161404453115 2    452817 2      C-13-H3C(O)CH3
  402417.3046  0.0063 -6.1502 3  199.2107456  595161404281315 0    281018 0      C-13-H3C(O)CH3
  402433.4674  0.0030 -3.6429 3  131.9673360 -5951614042216 7 2    2115 7 2      C-13-H3C(O)CH3
  402440.2504  0.0967 -6.1083 3  676.3630792  595161404493316 1    493019 1      C-13-H3C(O)CH3
  402462.2342  0.0064 -6.1502 3  199.2107456  595161404281415 0    281118 0      C-13-H3C(O)CH3
  402488.3249  0.0461 -6.1815 3  498.5872680  595161404422913 2    422617 2      C-13-H3C(O)CH3
  402491.0210  0.0192 -6.3968 3  268.4088488  5951614043025 5 0    3022 8 0      C-13-H3C(O)CH3
  402522.6591  0.0141 -4.8702 3  570.8393436  59516140454 847 4    54 648 4      C-13-H3C(O)CH3
  402522.6591  0.0141 -4.8702 3  570.8393436  59516140454 747 4    54 748 4      C-13-H3C(O)CH3
  402523.0762  0.0139 -5.6197 3  570.8393436  59516140454 847 3    54 748 3      C-13-H3C(O)CH3
  402523.0762  0.0139 -4.9504 3  570.8393436  59516140454 747 3    54 748 3      C-13-H3C(O)CH3
  402523.0762  0.0139 -4.9504 3  570.8393436  59516140454 847 3    54 648 3      C-13-H3C(O)CH3
  402523.0762  0.0139 -5.6197 3  570.8393436  59516140454 747 3    54 648 3      C-13-H3C(O)CH3
  402536.9875  0.0192 -6.3967 3  268.4073488  5951614043025 6 0    3022 9 0      C-13-H3C(O)CH3
  402633.5506  0.0100 -6.4558 3  229.9032472  595161404291910 1    291415 1      C-13-H3C(O)CH3
  402634.9463  0.0165 -6.0151 3  570.8634872  59516140454 747 1    54 748 1      C-13-H3C(O)CH3
  402634.9463  0.0165 -4.5805 3  570.8634872  59516140454 747 1    54 648 1      C-13-H3C(O)CH3
  402634.9463  0.0165 -6.0151 3  570.8634872  59516140454 847 1    54 648 1      C-13-H3C(O)CH3
  402634.9463  0.0165 -4.5805 3  570.8634872  59516140454 847 1    54 748 1      C-13-H3C(O)CH3
  402634.9603  0.0162 -4.5655 3  570.8631872  59516140454 747 2    54 748 2      C-13-H3C(O)CH3
  402634.9603  0.0162 -4.5655 3  570.8631872  59516140454 847 2    54 648 2      C-13-H3C(O)CH3
  402638.3415  0.0984 -6.3034 3  623.5969760  595161404473216 2    472918 2      C-13-H3C(O)CH3
  402646.1938  0.0101 -6.4543 3  229.8989472  595161404291910 2    291415 2      C-13-H3C(O)CH3
  402648.1948  0.0102 -6.4513 3  229.9163472  595161404291910 0    291415 0      C-13-H3C(O)CH3
  402651.1626  0.0024 -4.3157 3  266.4182300  59516140437 632 4    36 531 4      C-13-H3C(O)CH3
  402651.1626  0.0024 -4.3157 3  266.4182300  59516140437 532 4    36 631 4      C-13-H3C(O)CH3
  402651.1664  0.0024 -3.6782 3  266.4181300 -59516140437 632 3    36 631 3      C-13-H3C(O)CH3
  402651.1664  0.0024 -3.7742 3  266.4182300 -59516140437 632 4    36 631 4      C-13-H3C(O)CH3
  402651.1664  0.0024 -5.1705 3  266.4181300 -59516140437 532 3    36 631 3      C-13-H3C(O)CH3
  402651.1664  0.0024 -3.7742 3  266.4182300 -59516140437 532 4    36 531 4      C-13-H3C(O)CH3
  402651.1884  0.0024 -3.6782 3  266.4181300  59516140437 532 3    36 531 3      C-13-H3C(O)CH3
  402651.1884  0.0024 -5.1705 3  266.4181300  59516140437 632 3    36 531 3      C-13-H3C(O)CH3
  402687.4500  0.0707 -6.4161 3  524.5769348  595161404433013 4    432716 4      C-13-H3C(O)CH3
  402689.1965  0.0045 -4.9795 3   61.8324140  59516140417 611 3    16 512 3      C-13-H3C(O)CH3
  402689.5365  0.0060 -4.9795 3   61.8324140  59516140417 611 4    16 512 4      C-13-H3C(O)CH3
  402692.6861  0.0045 -4.9795 3   61.8324140  59516140417 711 3    16 412 3      C-13-H3C(O)CH3
  402692.9879  0.0060 -4.9795 3   61.8324140  59516140417 711 4    16 412 4      C-13-H3C(O)CH3
  402694.7717  0.0029 -5.6293 3  266.4152600 -59516140437 632 1    36 631 1      C-13-H3C(O)CH3
  402694.7717  0.0029 -5.6293 3  266.4152600 -59516140437 532 1    36 531 1      C-13-H3C(O)CH3
  402694.8527  0.0029 -3.3657 3  266.4152600  59516140437 532 1    36 631 1      C-13-H3C(O)CH3
  402694.8527  0.0029 -3.3657 3  266.4152600  59516140437 632 1    36 531 1      C-13-H3C(O)CH3
  402695.2782  0.0029 -3.9765 3  266.4146600  59516140437 532 2    36 531 2      C-13-H3C(O)CH3
  402695.2782  0.0029 -3.9765 3  266.4146600  59516140437 632 2    36 631 2      C-13-H3C(O)CH3
  402695.3192  0.0029 -3.4847 3  266.4146600 -59516140437 532 2    36 631 2      C-13-H3C(O)CH3
  402695.3192  0.0029 -3.4847 3  266.4146600 -59516140437 632 2    36 531 2      C-13-H3C(O)CH3
  402738.8294  0.0023 -5.1066 3  266.4116600 -59516140437 632 0    36 631 0      C-13-H3C(O)CH3
  402738.8294  0.0023 -5.1066 3  266.4116600 -59516140437 532 0    36 531 0      C-13-H3C(O)CH3
  402738.8516  0.0023 -3.3712 3  266.4116600  59516140437 632 0    36 531 0      C-13-H3C(O)CH3
  402738.8516  0.0023 -3.3712 3  266.4116600  59516140437 532 0    36 631 0      C-13-H3C(O)CH3
  402746.6810  0.0121 -5.7896 3  570.8872872  59516140454 747 0    54 748 0      C-13-H3C(O)CH3
  402746.6810  0.0121 -4.5912 3  570.8872872  59516140454 747 0    54 648 0      C-13-H3C(O)CH3
  402746.6810  0.0121 -5.7896 3  570.8872872  59516140454 847 0    54 648 0      C-13-H3C(O)CH3
  402746.6810  0.0121 -4.5912 3  570.8872872  59516140454 847 0    54 748 0      C-13-H3C(O)CH3
  402772.4553  0.0475 -5.8974 3 1158.3186B28  595161404702348 0    702149 0      C-13-H3C(O)CH3
  402772.4553  0.0475 -5.4527 3 1158.3186B28  595161404702348 0    702249 0      C-13-H3C(O)CH3
  402772.4553  0.0475 -5.4527 3 1158.3186B28  595161404702248 0    702149 0      C-13-H3C(O)CH3
  402772.4553  0.0475 -5.8974 3 1158.3186B28  595161404702248 0    702249 0      C-13-H3C(O)CH3
  402777.8192  0.0314 -6.2350 3  749.9452856  595161404532726 0    523023 0      C-13-H3C(O)CH3
  402783.9882  0.0101 -6.0776 3   52.9981232  5951614041413 1 0    1310 4 0      C-13-H3C(O)CH3
  402804.8197  0.0998 -6.5874 3  623.5816380  595161404473216 4    472918 4      C-13-H3C(O)CH3
  402816.4475  0.0538 -5.8005 3 1158.3325B28  595161404702248 1    702149 1      C-13-H3C(O)CH3
  402816.4475  0.0538 -5.4934 3 1158.3325B28  595161404702348 1    702149 1      C-13-H3C(O)CH3
  402816.4475  0.0538 -5.8005 3 1158.3325B28  595161404702348 1    702249 1      C-13-H3C(O)CH3
  402816.4475  0.0538 -5.4934 3 1158.3325B28  595161404702248 1    702249 1      C-13-H3C(O)CH3
  402821.3307  0.0575 -5.6570 3 1158.3332B28  595161404702248 2    702149 2      C-13-H3C(O)CH3
  402821.3307  0.0575 -5.5866 3 1158.3332B28  595161404702348 2    702149 2      C-13-H3C(O)CH3
  402821.3307  0.0575 -5.6570 3 1158.3332B28  595161404702348 2    702249 2      C-13-H3C(O)CH3
  402821.3307  0.0575 -5.5866 3 1158.3332B28  595161404702248 2    702249 2      C-13-H3C(O)CH3
  402827.0428  0.0347 -6.2339 3  749.9411856  595161404532726 1    523023 1      C-13-H3C(O)CH3
  402855.0198  0.0145 -4.9758 3  538.2520428  59516140453 747 4    53 648 4      C-13-H3C(O)CH3
  402855.0198  0.0145 -5.4980 3  538.2520428  59516140453 747 4    53 548 4      C-13-H3C(O)CH3
  402855.0198  0.0145 -5.4980 3  538.2520428  59516140453 647 4    53 648 4      C-13-H3C(O)CH3
  402855.0198  0.0145 -4.9758 3  538.2520428  59516140453 647 4    53 548 4      C-13-H3C(O)CH3
  402855.4792  0.0142 -5.6970 3  538.2520428  59516140453 747 3    53 648 3      C-13-H3C(O)CH3
  402855.4792  0.0142 -4.9303 3  538.2520428  59516140453 747 3    53 548 3      C-13-H3C(O)CH3
  402855.4792  0.0142 -5.6970 3  538.2520428  59516140453 647 3    53 548 3      C-13-H3C(O)CH3
  402855.4792  0.0142 -4.9303 3  538.2520428  59516140453 647 3    53 648 3      C-13-H3C(O)CH3
  402859.7572  0.0368 -6.2328 3  749.9394856  595161404532726 2    523023 2      C-13-H3C(O)CH3
  402865.4098  0.0450 -6.6651 3 1158.3471564  595161404702348 3    702249 3      C-13-H3C(O)CH3
  402865.4098  0.0450 -5.6613 3 1158.3471564  595161404702348 3    702149 3      C-13-H3C(O)CH3
  402865.4098  0.0450 -5.6613 3 1158.3471564  595161404702248 3    702249 3      C-13-H3C(O)CH3
  402865.4098  0.0450 -6.6651 3 1158.3471564  595161404702248 3    702149 3      C-13-H3C(O)CH3
  402865.5365  0.0451 -6.0513 3 1158.3471564  595161404702348 4    702149 4      C-13-H3C(O)CH3
  402865.5365  0.0451 -6.4377 3 1158.3471564  595161404702248 4    702249 4      C-13-H3C(O)CH3
  402865.5365  0.0451 -5.8214 3 1158.3471564  595161404702348 4    702249 4      C-13-H3C(O)CH3
  402865.5365  0.0451 -5.6920 3 1158.3471564  595161404702248 4    702149 4      C-13-H3C(O)CH3
  402879.6852  0.0120 -3.9937 3  131.9750180  5951614042216 6 3    2115 7 3      C-13-H3C(O)CH3
  402882.4607  0.2639 -6.4665 3  731.2552412  595161404513417 4    513120 4      C-13-H3C(O)CH3
  402887.6148  0.0064 -6.6888 3   63.2286132  5951614041611 6 4    15 8 8 4      C-13-H3C(O)CH3
  402906.4162  0.0392 -6.5327 3  749.9354428  595161404532726 3    523023 3      C-13-H3C(O)CH3
  402909.5067  0.0395 -6.5327 3  749.9353428  595161404532726 4    523023 4      C-13-H3C(O)CH3
  402918.7266  0.0437 -6.4426 3  833.9304904  595161404562828 0    553125 0      C-13-H3C(O)CH3
  402946.9116  0.0512 -6.1202 3  573.0152728  595161404453114 1    452817 1      C-13-H3C(O)CH3
  402992.3236  0.0465 -6.4412 3  833.9314904  595161404562828 1    553125 1      C-13-H3C(O)CH3
  403000.2381  0.0051 -4.6773 3   61.7866280  59516140417 611 2    16 512 2      C-13-H3C(O)CH3
  403003.8751  0.0051 -4.6773 3   61.7866280  59516140417 711 2    16 412 2      C-13-H3C(O)CH3
  403011.1729  0.0520 -6.4405 3  833.9309904  595161404562828 2    553125 2      C-13-H3C(O)CH3
  403016.4066  0.0050 -4.6775 3   61.7875280  59516140417 611 1    16 512 1      C-13-H3C(O)CH3
  403019.9213  0.0050 -4.6775 3   61.7874280  59516140417 711 1    16 412 1      C-13-H3C(O)CH3
  403034.5406  0.0157 -4.6457 3  538.2694856  59516140453 647 1    53 648 1      C-13-H3C(O)CH3
  403034.5406  0.0157 -4.6457 3  538.2694856  59516140453 747 1    53 548 1      C-13-H3C(O)CH3
  403034.5406  0.0157 -5.3085 3  538.2694856  59516140453 647 1    53 548 1      C-13-H3C(O)CH3
  403034.5406  0.0157 -5.3085 3  538.2694856  59516140453 747 1    53 648 1      C-13-H3C(O)CH3
  403034.6751  0.0152 -4.5946 3  538.2690856  59516140453 647 2    53 548 2      C-13-H3C(O)CH3
  403034.6751  0.0152 -4.5946 3  538.2690856  59516140453 747 2    53 648 2      C-13-H3C(O)CH3
  403034.6751  0.0152 -5.6789 3  538.2690856  59516140453 747 2    53 548 2      C-13-H3C(O)CH3
  403034.6751  0.0152 -5.6789 3  538.2690856  59516140453 647 2    53 648 2      C-13-H3C(O)CH3
  403074.6713  0.0540 -6.4646 3  498.5707340  595161404422913 4    422617 4      C-13-H3C(O)CH3
  403083.9114  0.0547 -6.7401 3  833.9319452  595161404562828 3    553125 3      C-13-H3C(O)CH3
  403084.8996  0.0550 -6.7401 3  833.9319452  595161404562828 4    553125 4      C-13-H3C(O)CH3
  403134.1581  0.1807 -6.1304 3  676.3545792  595161404493316 2    493019 2      C-13-H3C(O)CH3
  403134.3944  0.0026 -3.5569 3  131.9806360 -5951614042216 6 0    2115 7 0      C-13-H3C(O)CH3
  403161.9169  0.0165 -5.6539 3  506.2561420  59516140452 547 4    52 548 4      C-13-H3C(O)CH3
  403161.9169  0.0165 -4.9489 3  506.2561420  59516140452 547 4    52 448 4      C-13-H3C(O)CH3
  403161.9169  0.0165 -5.6539 3  506.2561420  59516140452 647 4    52 448 4      C-13-H3C(O)CH3
  403161.9169  0.0165 -4.9489 3  506.2561420  59516140452 647 4    52 548 4      C-13-H3C(O)CH3
  403162.3600  0.0160 -4.8853 3  506.2561420  59516140452 547 3    52 548 3      C-13-H3C(O)CH3
  403162.3600  0.0160 -6.3504 3  506.2561420  59516140452 647 3    52 548 3      C-13-H3C(O)CH3
  403162.3600  0.0160 -4.8853 3  506.2561420  59516140452 647 3    52 448 3      C-13-H3C(O)CH3
  403162.3600  0.0160 -6.3504 3  506.2561420  59516140452 547 3    52 448 3      C-13-H3C(O)CH3
  403213.4755  0.0123 -6.1140 3  538.2863856  59516140453 747 0    53 648 0      C-13-H3C(O)CH3
  403213.4755  0.0123 -4.5721 3  538.2863856  59516140453 747 0    53 548 0      C-13-H3C(O)CH3
  403213.4755  0.0123 -6.1140 3  538.2863856  59516140453 647 0    53 548 0      C-13-H3C(O)CH3
  403213.4755  0.0123 -4.5721 3  538.2863856  59516140453 647 0    53 648 0      C-13-H3C(O)CH3
  403247.1889  0.0106 -4.6937 3  335.4299568  595161404352214 2    342311 2      C-13-H3C(O)CH3
  403281.1490  0.0689 -6.1167 3  623.6053760  595161404473215 1    472918 1      C-13-H3C(O)CH3
  403294.5185  0.0304 -6.4035 3  433.9293316  595161404392812 4    392515 4      C-13-H3C(O)CH3
  403297.6760  0.0230 -6.1303 3  433.9487632  595161404392812 1    392515 1      C-13-H3C(O)CH3
  403326.7024  0.0051 -4.6762 3   61.7418280  59516140417 611 0    16 512 0      C-13-H3C(O)CH3
  403330.3311  0.0124 -5.0017 3  335.4062284  595161404352214 3    342311 3      C-13-H3C(O)CH3
  403330.3815  0.0051 -4.6762 3   61.7418280  59516140417 711 0    16 412 0      C-13-H3C(O)CH3
  403349.6861  0.0216 -5.4623 3  521.2926680  595161404423310 0    4134 7 0      C-13-H3C(O)CH3
  403349.6922  0.0216 -5.4623 3  521.2926680  5951614044233 9 0    4134 8 0      C-13-H3C(O)CH3
  403363.8567  0.1022 -6.5505 3 1595.5249644  595161404803149 4    803050 4      C-13-H3C(O)CH3
  403363.8567  0.1022 -6.5505 3 1595.5249644  595161404803249 4    803150 4      C-13-H3C(O)CH3
  403363.9030  0.1022 -6.4432 3 1595.5249644  595161404803249 3    803050 3      C-13-H3C(O)CH3
  403363.9030  0.1022 -6.4432 3 1595.5249644  595161404803149 3    803150 3      C-13-H3C(O)CH3
  403369.0849  0.0119 -4.9888 3  335.4048284  595161404352214 4    342311 4      C-13-H3C(O)CH3
  403374.1185  0.0843 -6.6772 3  572.9912364  595161404453115 3    452817 3      C-13-H3C(O)CH3
  403389.6075  0.0220 -6.3139 3  374.0848584  595161404362710 1    362412 1      C-13-H3C(O)CH3
  403399.9942  0.1185 -6.1904 3 1595.5072C88  595161404803149 1    803150 1      C-13-H3C(O)CH3
  403399.9942  0.1185 -6.1904 3 1595.5072C88  595161404803249 1    803050 1      C-13-H3C(O)CH3
  403401.5804  0.1125 -6.1021 3 1595.5103C88  595161404803149 2    803050 2      C-13-H3C(O)CH3
  403401.5804  0.1125 -6.1021 3 1595.5103C88  595161404803249 2    803150 2      C-13-H3C(O)CH3
  403402.9235  0.0071 -4.6832 3  335.4481568  595161404352214 0    342311 0      C-13-H3C(O)CH3
  403406.6114  0.0221 -5.4628 3  521.2940680  5951614044233 9 1    4134 7 1      C-13-H3C(O)CH3
  403420.8441  0.0159 -4.7744 3  506.2639840  59516140452 547 1    52 548 1      C-13-H3C(O)CH3
  403420.8441  0.0159 -4.9929 3  506.2639840  59516140452 647 1    52 548 1      C-13-H3C(O)CH3
  403420.8441  0.0159 -4.9929 3  506.2639840  59516140452 547 1    52 448 1      C-13-H3C(O)CH3
  403420.8441  0.0159 -4.7744 3  506.2639840  59516140452 647 1    52 448 1      C-13-H3C(O)CH3
  403421.0439  0.0147 -4.9832 3  506.2635840  59516140452 647 2    52 448 2      C-13-H3C(O)CH3
  403421.0439  0.0147 -4.7802 3  506.2635840  59516140452 647 2    52 548 2      C-13-H3C(O)CH3
  403421.0439  0.0147 -4.7802 3  506.2635840  59516140452 547 2    52 448 2      C-13-H3C(O)CH3
  403421.0439  0.0147 -4.9832 3  506.2635840  59516140452 547 2    52 548 2      C-13-H3C(O)CH3
  403437.6564  0.1235 -6.3310 3 1595.4926C88  595161404803149 0    803050 0      C-13-H3C(O)CH3
  403437.6564  0.1235 -6.1679 3 1595.4926C88  595161404803249 0    803150 0      C-13-H3C(O)CH3
  403437.6564  0.1235 -6.4557 3 1595.4926C88  595161404803149 0    803150 0      C-13-H3C(O)CH3
  403443.4184  0.0203 -5.7689 3  474.8525412  59516140451 447 4    51 448 4      C-13-H3C(O)CH3
  403443.4184  0.0203 -4.9615 3  474.8525412  59516140451 447 4    51 348 4      C-13-H3C(O)CH3
  403443.4184  0.0203 -4.9615 3  474.8525412  59516140451 547 4    51 448 4      C-13-H3C(O)CH3
  403443.4184  0.0203 -5.7689 3  474.8525412  59516140451 547 4    51 348 4      C-13-H3C(O)CH3
  403443.7528  0.0195 -6.5253 3  474.8525412  59516140451 447 3    51 348 3      C-13-H3C(O)CH3
  403443.7528  0.0195 -4.9090 3  474.8525412  59516140451 447 3    51 448 3      C-13-H3C(O)CH3
  403443.7528  0.0195 -4.9090 3  474.8525412  59516140451 547 3    51 348 3      C-13-H3C(O)CH3
  403443.7528  0.0195 -6.5253 3  474.8525412  59516140451 547 3    51 448 3      C-13-H3C(O)CH3
  403463.3198  0.0609 -6.6522 3  922.1338952  595161404592930 0    583227 0      C-13-H3C(O)CH3
  403481.4013  0.0452 -5.3833 3 1116.3979B12  595161404692148 0    692149 0      C-13-H3C(O)CH3
  403481.4013  0.0452 -5.8260 3 1116.3979B12  595161404692248 0    692149 0      C-13-H3C(O)CH3
  403481.4013  0.0452 -5.8260 3 1116.3979B12  595161404692148 0    692049 0      C-13-H3C(O)CH3
  403481.4013  0.0452 -5.3833 3 1116.3979B12  595161404692248 0    692049 0      C-13-H3C(O)CH3
  403501.2745  0.0075 -4.6844 3  335.4240568  595161404352214 1    342311 1      C-13-H3C(O)CH3
  403506.7942  0.0316 -6.7184 3  374.0677292  595161404362710 3    362412 3      C-13-H3C(O)CH3
  403537.5973  0.0521 -5.2494 3 1116.4089B12  595161404692148 1    692149 1      C-13-H3C(O)CH3
  403537.5973  0.0521 -5.2494 3 1116.4089B12  595161404692248 1    692049 1      C-13-H3C(O)CH3
  403540.5309  0.0627 -6.6506 3  922.1398952  595161404592930 1    583227 1      C-13-H3C(O)CH3
  403542.0488  0.0552 -5.2881 3 1116.4094B12  595161404692248 2    692049 2      C-13-H3C(O)CH3
  403542.0488  0.0552 -5.2881 3 1116.4094B12  595161404692148 2    692149 2      C-13-H3C(O)CH3
  403542.0488  0.0552 -6.3182 3 1116.4094B12  595161404692248 2    692149 2      C-13-H3C(O)CH3
  403542.0488  0.0552 -6.3182 3 1116.4094B12  595161404692148 2    692049 2      C-13-H3C(O)CH3
  403545.5179  0.0691 -6.6502 3  922.1405952  595161404592930 2    583227 2      C-13-H3C(O)CH3
  403567.8518  0.0268 -6.1151 3  433.9488632  595161404392812 2    392515 2      C-13-H3C(O)CH3
  403573.0333  0.1763 -6.3031 3  676.3370396  595161404493316 3    493019 3      C-13-H3C(O)CH3
  403583.3030  0.0210 -5.8658 3  433.9672632  595161404392812 0    392515 0      C-13-H3C(O)CH3
  403592.1603  0.0223 -5.4621 3  521.2582680  595161404423310 1    4134 8 1      C-13-H3C(O)CH3
  403598.3413  0.0422 -5.7113 3 1116.4204556  595161404692148 3    692149 3      C-13-H3C(O)CH3
  403598.3413  0.0422 -6.0592 3 1116.4204556  595161404692248 3    692149 3      C-13-H3C(O)CH3
  403598.3413  0.0422 -5.7113 3 1116.4204556  595161404692248 3    692049 3      C-13-H3C(O)CH3
  403598.3413  0.0422 -6.0592 3 1116.4204556  595161404692148 3    692049 3      C-13-H3C(O)CH3
  403598.4875  0.0423 -5.5676 3 1116.4204556  595161404692148 4    692149 4      C-13-H3C(O)CH3
  403598.4875  0.0423 -5.5676 3 1116.4204556  595161404692248 4    692049 4      C-13-H3C(O)CH3
  403607.6713  0.0278 -6.4457 3  374.0903584  595161404362710 2    362412 2      C-13-H3C(O)CH3
  403619.6391  0.0209 -5.4613 3  521.2756680  595161404423310 2    4134 8 2      C-13-H3C(O)CH3
  403659.0812  0.0220 -6.2559 3  374.0848584  5951614043627 9 1    362412 1      C-13-H3C(O)CH3
  403662.3526  0.0282 -6.4842 3  374.0677292  5951614043627 9 3    362412 3      C-13-H3C(O)CH3
  403663.8565  0.0215 -5.4622 3  521.2960680  5951614044233 9 2    4134 7 2      C-13-H3C(O)CH3
  403674.8815  0.0239 -5.7630 3  521.2771340  5951614044233 9 3    4134 7 3      C-13-H3C(O)CH3
  403679.1155  0.0130 -5.6230 3  506.2712840  59516140452 647 0    52 448 0      C-13-H3C(O)CH3
  403679.1155  0.0130 -5.6230 3  506.2712840  59516140452 547 0    52 548 0      C-13-H3C(O)CH3
  403679.1155  0.0130 -4.6084 3  506.2712840  59516140452 647 0    52 548 0      C-13-H3C(O)CH3
  403679.1155  0.0130 -4.6084 3  506.2712840  59516140452 547 0    52 448 0      C-13-H3C(O)CH3
  403697.8239  0.0613 -6.6516 3  922.1260952  595161404593030 0    583127 0      C-13-H3C(O)CH3
  403699.6125  0.0260 -4.9971 3  444.0424404  59516140450 447 4    50 248 4      C-13-H3C(O)CH3
  403699.6125  0.0260 -5.9967 3  444.0424404  59516140450 447 4    50 348 4      C-13-H3C(O)CH3
  403699.6125  0.0260 -4.9971 3  444.0424404  59516140450 347 4    50 348 4      C-13-H3C(O)CH3
  403699.6125  0.0260 -5.9967 3  444.0424404  59516140450 347 4    50 248 4      C-13-H3C(O)CH3
  403699.7017  0.0251 -4.9581 3  444.0424404  59516140450 347 3    50 348 3      C-13-H3C(O)CH3
  403699.7017  0.0251 -4.9581 3  444.0424404  59516140450 447 3    50 248 3      C-13-H3C(O)CH3
  403703.7904  0.0899 -6.1275 3  573.0076728  595161404453114 2    452817 2      C-13-H3C(O)CH3
  403720.8606  0.0257 -5.7638 3  521.2974340  5951614044233 9 4    4134 7 4      C-13-H3C(O)CH3
  403739.9643  0.0024 -4.4517 3  270.6468308  59516140438 534 4    37 533 4      C-13-H3C(O)CH3
  403739.9643  0.0024 -3.7136 3  270.6468308  59516140438 434 4    37 533 4      C-13-H3C(O)CH3
  403739.9744  0.0024 -3.7856 3  270.6468308  59516140438 434 3    37 433 3      C-13-H3C(O)CH3
  403739.9744  0.0024 -4.1879 3  270.6468308  59516140438 534 3    37 433 3      C-13-H3C(O)CH3
  403739.9858  0.0024 -3.7856 3  270.6468308 -59516140438 534 3    37 533 3      C-13-H3C(O)CH3
  403739.9858  0.0024 -4.4517 3  270.6468308 -59516140438 434 4    37 433 4      C-13-H3C(O)CH3
  403739.9858  0.0024 -3.7136 3  270.6468308 -59516140438 534 4    37 433 4      C-13-H3C(O)CH3
  403739.9858  0.0024 -4.1879 3  270.6468308 -59516140438 434 3    37 533 3      C-13-H3C(O)CH3
  403749.6766  0.0957 -6.3604 3  572.9912364  595161404453114 3    452817 3      C-13-H3C(O)CH3
  403774.9685  0.0324 -6.4139 3  433.9310316  595161404392812 3    392515 3      C-13-H3C(O)CH3
  403779.9083  0.0200 -5.9841 3  374.1066584  5951614043627 9 0    362412 0      C-13-H3C(O)CH3
  403780.5673  0.0029 -3.3453 3  270.6365616 -59516140438 434 1    37 433 1      C-13-H3C(O)CH3
  403780.5673  0.0029 -5.2204 3  270.6365616 -59516140438 534 1    37 433 1      C-13-H3C(O)CH3
  403780.7128  0.0029 -5.2204 3  270.6365616  59516140438 434 1    37 533 1      C-13-H3C(O)CH3
  403780.7128  0.0029 -3.3453 3  270.6365616  59516140438 534 1    37 533 1      C-13-H3C(O)CH3
  403780.9827  0.0029 -4.9091 3  270.6360616  59516140438 434 2    37 433 2      C-13-H3C(O)CH3
  403780.9827  0.0029 -4.9091 3  270.6360616  59516140438 534 2    37 533 2      C-13-H3C(O)CH3
  403781.0900  0.0029 -3.3515 3  270.6360616 -59516140438 534 2    37 433 2      C-13-H3C(O)CH3
  403781.0900  0.0029 -3.3515 3  270.6360616 -59516140438 434 2    37 533 2      C-13-H3C(O)CH3
  403790.1069  0.0625 -6.6500 3  922.1315952  595161404593030 1    583127 1      C-13-H3C(O)CH3
  403793.1568  0.0731 -6.6496 3  922.1323952  595161404593030 2    583127 2      C-13-H3C(O)CH3
  403794.8387  0.0195 -4.5968 3  474.8475824  59516140451 447 1    51 348 1      C-13-H3C(O)CH3
  403794.8387  0.0195 -4.5968 3  474.8475824  59516140451 547 1    51 448 1      C-13-H3C(O)CH3
  403794.9916  0.0174 -4.5966 3  474.8471824  59516140451 547 2    51 448 2      C-13-H3C(O)CH3
  403794.9916  0.0174 -4.5966 3  474.8471824  59516140451 447 2    51 348 2      C-13-H3C(O)CH3
  403821.6325  0.0023 -3.7448 3  270.6258616  59516140438 534 0    37 533 0      C-13-H3C(O)CH3
  403821.6325  0.0023 -3.7448 3  270.6258616  59516140438 434 0    37 433 0      C-13-H3C(O)CH3
  403821.6422  0.0023 -3.5565 3  270.6258616 -59516140438 534 0    37 433 0      C-13-H3C(O)CH3
  403821.6422  0.0023 -3.5565 3  270.6258616 -59516140438 434 0    37 533 0      C-13-H3C(O)CH3
  403829.2521  0.0288 -5.7579 3  590.3643744  595161404463017 0    462720 0      C-13-H3C(O)CH3
  403829.9116  0.0256 -6.2055 3  433.9487632  595161404392811 1    392515 1      C-13-H3C(O)CH3
  403845.2966  0.0255 -5.7706 3  567.8201728  595161404453016 0    452719 0      C-13-H3C(O)CH3
  403859.8254  0.0236 -5.7622 3  521.2411340  595161404423310 4    4134 8 4      C-13-H3C(O)CH3
  403891.4609  0.0153 -4.3113 3  131.9673360  5951614042216 6 2    2115 7 2      C-13-H3C(O)CH3
  403900.6972  0.0281 -6.4545 3  374.0688292  5951614043627 9 4    362412 4      C-13-H3C(O)CH3
  403904.5927  0.0240 -5.7631 3  521.2617340  595161404423310 3    4134 8 3      C-13-H3C(O)CH3
  403915.7279  0.0463 -6.4402 3  833.8973904  595161404562928 0    553025 0      C-13-H3C(O)CH3
  403930.2723  0.0330 -5.0739 3  413.8266396  59516140449 247 3    49 248 3      C-13-H3C(O)CH3
  403930.2723  0.0330 -5.0739 3  413.8266396  59516140449 347 3    49 148 3      C-13-H3C(O)CH3
  403930.6207  0.0339 -5.6783 3  413.8267396  59516140449 247 4    49 248 4      C-13-H3C(O)CH3
  403930.6207  0.0339 -5.1864 3  413.8267396  59516140449 247 4    49 148 4      C-13-H3C(O)CH3
  403930.6207  0.0339 -5.1864 3  413.8267396  59516140449 347 4    49 248 4      C-13-H3C(O)CH3
  403930.6207  0.0339 -5.6783 3  413.8267396  59516140449 347 4    49 148 4      C-13-H3C(O)CH3
  403955.1851  0.0151 -5.0582 3  433.9548632  595161404392812 0    3829 9 0      C-13-H3C(O)CH3
  403960.3885  0.0159 -5.0576 3  433.9357632  595161404392812 2    382910 2      C-13-H3C(O)CH3
  403965.5922  0.1143 -6.1693 3  659.8404396  595161404492920 3    492623 3      C-13-H3C(O)CH3
  403977.8472  0.0151 -5.0582 3  433.9548632  595161404392811 0    382910 0      C-13-H3C(O)CH3
  403979.8260  0.1140 -6.1694 3  659.8404396  595161404492920 4    492623 4      C-13-H3C(O)CH3
  404002.7826  0.0247 -5.8378 3  567.8062728  595161404453016 1    452719 1      C-13-H3C(O)CH3
  404006.2966  0.0409 -5.9349 3  382.6837300  595161404372513 4    362610 4      C-13-H3C(O)CH3
  404015.6400  0.0330 -5.5019 3  382.7081600  595161404372513 2    362610 2      C-13-H3C(O)CH3
  404024.5963  0.1278 -6.1316 3  623.5969760  595161404473215 2    472918 2      C-13-H3C(O)CH3
  404033.3240  0.0251 -6.1689 3  374.0903584  5951614043627 9 2    362412 2      C-13-H3C(O)CH3
  404036.9058  0.0473 -6.4386 3  833.8967904  595161404562928 1    553025 1      C-13-H3C(O)CH3
  404057.3815  0.0628 -6.4379 3  833.8962904  595161404562928 2    553025 2      C-13-H3C(O)CH3
  404071.2902  0.0373 -6.5311 3  433.9310316  595161404392811 3    392515 3      C-13-H3C(O)CH3
  404082.7381  0.0025 -5.6094 3  140.7562188  5951614042315 8 4    2214 8 4      C-13-H3C(O)CH3
  404094.2442  0.0380 -6.2299 3  567.7885364  595161404453016 4    452719 4      C-13-H3C(O)CH3
  404117.1050  0.0256 -5.7694 3  590.3506744  595161404463017 1    462720 1      C-13-H3C(O)CH3
  404135.5632  0.0436 -6.1939 3  384.2063388  59516140448 147 3    48 148 3      C-13-H3C(O)CH3
  404135.5632  0.0436 -5.3600 3  384.2063388  59516140448 147 3    48 048 3      C-13-H3C(O)CH3
  404135.5632  0.0436 -5.3600 3  384.2063388  59516140448 247 3    48 148 3      C-13-H3C(O)CH3
  404135.5632  0.0436 -6.1939 3  384.2063388  59516140448 247 3    48 048 3      C-13-H3C(O)CH3
  404136.6121  0.0443 -5.3006 3  384.2063388  59516140448 147 4    48 148 4      C-13-H3C(O)CH3
  404136.6121  0.0443 -5.3006 3  384.2063388  59516140448 247 4    48 048 4      C-13-H3C(O)CH3
  404137.2482  0.0173 -5.3596 3  433.9189316  595161404392812 3    382910 3      C-13-H3C(O)CH3
  404145.4590  0.0160 -4.6614 3  474.8422824  59516140451 447 0    51 448 0      C-13-H3C(O)CH3
  404145.4590  0.0160 -5.4480 3  474.8422824  59516140451 547 0    51 448 0      C-13-H3C(O)CH3
  404145.4590  0.0160 -4.6614 3  474.8422824  59516140451 547 0    51 348 0      C-13-H3C(O)CH3
  404145.4590  0.0160 -5.4480 3  474.8422824  59516140451 447 0    51 348 0      C-13-H3C(O)CH3
  404145.8625  0.0159 -5.0585 3  433.9381632  595161404392811 1    3829 9 1      C-13-H3C(O)CH3
  404153.5385  0.0177 -5.3582 3  433.9006316  595161404392812 4    382910 4      C-13-H3C(O)CH3
  404157.4054  0.0256 -4.8149 3  444.0207808  59516140450 447 2    50 248 2      C-13-H3C(O)CH3
  404157.4054  0.0256 -5.1611 3  444.0207808  59516140450 447 2    50 348 2      C-13-H3C(O)CH3
  404157.4054  0.0256 -5.1611 3  444.0207808  59516140450 347 2    50 248 2      C-13-H3C(O)CH3
  404157.4054  0.0256 -4.8149 3  444.0207808  59516140450 347 2    50 348 2      C-13-H3C(O)CH3
  404157.4780  0.0281 -4.6980 3  444.0211808  59516140450 447 1    50 348 1      C-13-H3C(O)CH3
  404157.4780  0.0281 -5.6649 3  444.0211808  59516140450 447 1    50 248 1      C-13-H3C(O)CH3
  404157.4780  0.0281 -5.6649 3  444.0211808  59516140450 347 1    50 348 1      C-13-H3C(O)CH3
  404157.4780  0.0281 -4.6980 3  444.0211808  59516140450 347 1    50 248 1      C-13-H3C(O)CH3
  404158.6935  0.0157 -5.0580 3  433.9200632  595161404392812 1    382910 1      C-13-H3C(O)CH3
  404161.4392  0.0426 -5.1849 3 1075.0532A96  595161404682148 0    681949 0      C-13-H3C(O)CH3
  404161.4392  0.0426 -5.1849 3 1075.0532A96  595161404682048 0    682049 0      C-13-H3C(O)CH3
  404170.8182  0.0357 -5.8765 3  567.8025728  595161404453016 2    452719 2      C-13-H3C(O)CH3
  404178.5912  0.0151 -4.4643 3  131.9582360  5951614042216 6 1    2115 7 1      C-13-H3C(O)CH3
  404179.4945  0.0643 -6.7374 3  833.8956452  595161404562928 4    553025 4      C-13-H3C(O)CH3
  404180.1578  0.0641 -6.7374 3  833.8955452  595161404562928 3    553025 3      C-13-H3C(O)CH3
  404212.7781  0.0030 -5.7595 3  140.7494376  5951614042315 8 1    2214 8 1      C-13-H3C(O)CH3
  404221.7150  0.0158 -5.0577 3  433.9546632  595161404392811 2    3829 9 2      C-13-H3C(O)CH3
  404229.4594  0.0499 -5.1882 3 1075.0607A96  595161404682048 1    682049 1      C-13-H3C(O)CH3
  404229.4594  0.0499 -5.1882 3 1075.0607A96  595161404682148 1    681949 1      C-13-H3C(O)CH3
  404233.3926  0.0522 -5.9137 3 1075.0610A96  595161404682148 2    681949 2      C-13-H3C(O)CH3
  404233.3926  0.0522 -5.2706 3 1075.0610A96  595161404682048 2    681949 2      C-13-H3C(O)CH3
  404233.3926  0.0522 -5.2706 3 1075.0610A96  595161404682148 2    682049 2      C-13-H3C(O)CH3
  404233.3926  0.0522 -5.9137 3 1075.0610A96  595161404682048 2    682049 2      C-13-H3C(O)CH3
  404251.9650  0.1309 -6.3294 3  623.5801380  595161404473215 3    472918 3      C-13-H3C(O)CH3
  404283.3974  0.0029 -6.0552 3  140.7409376  5951614042315 8 2    2214 8 2      C-13-H3C(O)CH3
  404293.4087  0.0632 -6.1324 3  576.5365372  595161404462620 3    452917 3      C-13-H3C(O)CH3
  404293.7378  0.0342 -5.7815 3  590.3467744  595161404463017 2    462720 2      C-13-H3C(O)CH3
  404301.5180  0.0395 -6.1033 3 1075.0685548  595161404682148 3    682049 3      C-13-H3C(O)CH3
  404301.5180  0.0395 -5.6013 3 1075.0685548  595161404682148 3    681949 3      C-13-H3C(O)CH3
  404301.5180  0.0395 -6.1033 3 1075.0685548  595161404682048 3    681949 3      C-13-H3C(O)CH3
  404301.5180  0.0395 -5.6013 3 1075.0685548  595161404682048 3    682049 3      C-13-H3C(O)CH3
  404301.6814  0.0396 -5.7852 3 1075.0685548  595161404682148 4    681949 4      C-13-H3C(O)CH3
  404301.6814  0.0396 -5.7852 3 1075.0685548  595161404682048 4    682049 4      C-13-H3C(O)CH3
  404301.6814  0.0396 -5.7818 3 1075.0685548  595161404682048 4    681949 4      C-13-H3C(O)CH3
  404301.6814  0.0396 -5.7818 3 1075.0685548  595161404682148 4    682049 4      C-13-H3C(O)CH3
  404306.3131  0.0132 -5.7376 3  436.2725648  595161404402417 0    402120 0      C-13-H3C(O)CH3
  404338.3223  0.1134 -5.8700 3  659.8510792  595161404492920 2    492623 2      C-13-H3C(O)CH3
  404353.7860  0.0334 -5.6485 3  382.6772300  595161404372513 3    362610 3      C-13-H3C(O)CH3
  404371.1405  0.0305 -6.1124 3  590.3329372  595161404463017 4    462720 4      C-13-H3C(O)CH3
  404393.0284  0.0143 -5.7376 3  436.2449648  595161404402417 2    402120 2      C-13-H3C(O)CH3
  404395.7530  0.0918 -6.3431 3 1547.8790636  595161404793149 4    793050 4      C-13-H3C(O)CH3
  404395.7530  0.0918 -6.3431 3 1547.8790636  595161404793049 4    792950 4      C-13-H3C(O)CH3
  404395.7866  0.0918 -6.3452 3 1547.8789636  595161404793049 3    792950 3      C-13-H3C(O)CH3
  404395.7866  0.0918 -6.3452 3 1547.8789636  595161404793149 3    793050 3      C-13-H3C(O)CH3
  404396.2494  0.0356 -6.2290 3  433.9488632  595161404392811 2    392515 2      C-13-H3C(O)CH3
  404397.4099  0.0176 -5.3588 3  433.9379316  595161404392811 4    3829 9 4      C-13-H3C(O)CH3
  404412.2104  0.0120 -4.8472 3  382.7140600  595161404372513 0    362610 0      C-13-H3C(O)CH3
  404412.3781  0.0164 -5.3591 3  433.9196316  595161404392811 3    3829 9 3      C-13-H3C(O)CH3
  404423.2932  0.0138 -5.7374 3  436.2488648  595161404402417 1    402120 1      C-13-H3C(O)CH3
  404426.9668  0.1017 -6.0277 3 1547.8596C72  595161404793149 1    793050 1      C-13-H3C(O)CH3
  404426.9668  0.1017 -6.0277 3 1547.8596C72  595161404793049 1    792950 1      C-13-H3C(O)CH3
  404429.6555  0.0988 -6.2676 3 1547.8624C72  595161404793149 2    792950 2      C-13-H3C(O)CH3
  404429.6555  0.0988 -6.2676 3 1547.8624C72  595161404793049 2    793050 2      C-13-H3C(O)CH3
  404429.6555  0.0988 -6.3374 3 1547.8624C72  595161404793049 2    792950 2      C-13-H3C(O)CH3
  404429.6555  0.0988 -6.3374 3 1547.8624C72  595161404793149 2    793050 2      C-13-H3C(O)CH3
  404460.8324  0.1067 -6.1495 3 1547.8431C72  595161404793149 0    793050 0      C-13-H3C(O)CH3
  404460.8324  0.1067 -6.5357 3 1547.8431C72  595161404793149 0    792950 0      C-13-H3C(O)CH3
  404460.8324  0.1067 -6.1449 3 1547.8431C72  595161404793049 0    792950 0      C-13-H3C(O)CH3
  404460.8324  0.1067 -6.5471 3 1547.8431C72  595161404793049 0    793050 0      C-13-H3C(O)CH3
  404476.4727  0.0062 -5.6121 3   44.8225132  59516140416 313 3    15 214 3      C-13-H3C(O)CH3
  404476.4732  0.0062 -5.6121 3   44.8225132  59516140416 413 3    15 114 3      C-13-H3C(O)CH3
  404476.8448  0.0076 -5.6121 3   44.8225132  59516140416 313 4    15 214 4      C-13-H3C(O)CH3
  404476.8453  0.0076 -5.6121 3   44.8225132  59516140416 413 4    15 114 4      C-13-H3C(O)CH3
  404483.0147  0.0185 -5.1888 3  382.6894600  595161404372513 1    362610 1      C-13-H3C(O)CH3
  404506.5292  0.0141 -6.0382 3  436.2211324  595161404402417 4    402120 4      C-13-H3C(O)CH3
  404509.1325  0.0395 -4.8417 3  413.7847792  59516140449 347 2    49 148 2      C-13-H3C(O)CH3
  404509.1325  0.0395 -4.8417 3  413.7847792  59516140449 247 2    49 248 2      C-13-H3C(O)CH3
  404509.1325  0.0395 -5.5395 3  413.7847792  59516140449 247 2    49 148 2      C-13-H3C(O)CH3
  404509.1325  0.0395 -5.5395 3  413.7847792  59516140449 347 2    49 248 2      C-13-H3C(O)CH3
  404509.6835  0.0423 -4.7627 3  413.7851792  59516140449 347 1    49 148 1      C-13-H3C(O)CH3
  404509.6835  0.0423 -4.7627 3  413.7851792  59516140449 247 1    49 248 1      C-13-H3C(O)CH3
  404513.1350  0.0139 -6.0382 3  436.2211324  595161404402417 3    402120 3      C-13-H3C(O)CH3
  404533.9649  0.0147 -4.9551 3  382.6908600  595161404372513 2    362611 2      C-13-H3C(O)CH3
  404538.9006  0.1928 -6.4586 3  676.3382396  595161404493316 4    493019 4      C-13-H3C(O)CH3
  404549.4077  0.0554 -6.1470 3  576.5281372  595161404462620 4    452917 4      C-13-H3C(O)CH3
  404581.5724  0.0599 -5.8704 3  659.8535792  595161404492920 1    492623 1      C-13-H3C(O)CH3
  404614.2834  0.0234 -5.5082 3  443.9994808  59516140450 447 0    50 348 0      C-13-H3C(O)CH3
  404614.2834  0.0234 -4.7173 3  443.9994808  59516140450 447 0    50 248 0      C-13-H3C(O)CH3
  404614.2834  0.0234 -5.5082 3  443.9994808  59516140450 347 0    50 248 0      C-13-H3C(O)CH3
  404614.2834  0.0234 -4.7173 3  443.9994808  59516140450 347 0    50 348 0      C-13-H3C(O)CH3
  404630.5844  0.0984 -6.4295 3  572.9929364  595161404453114 4    452817 4      C-13-H3C(O)CH3
  404656.2025  0.0417 -6.5457 3  433.9293316  595161404392811 4    392515 4      C-13-H3C(O)CH3
  404677.6009  0.0176 -5.3122 3  382.6664300  595161404372513 3    362611 3      C-13-H3C(O)CH3
  404679.5644  0.0141 -5.1105 3  382.6828600  595161404372513 1    362611 1      C-13-H3C(O)CH3
  404688.6548  0.0089 -6.2904 3  335.3818568  595161404352214 2    342312 2      C-13-H3C(O)CH3
  404718.7434  0.0169 -5.2244 3  382.6599300  595161404372513 4    362611 4      C-13-H3C(O)CH3
  404768.7688  0.0104 -5.8976 3   65.2119132  5951614041612 5 4    15 9 7 4      C-13-H3C(O)CH3
  404782.5793  0.0630 -5.8329 3  576.5392744  595161404462620 2    452917 2      C-13-H3C(O)CH3
  404814.2528  0.0397 -5.1225 3 1034.2853A80  595161404672048 0    671949 0      C-13-H3C(O)CH3
  404814.2528  0.0397 -5.1225 3 1034.2853A80  595161404671948 0    671849 0      C-13-H3C(O)CH3
  404820.5777  0.0212 -6.4842 3  318.8187268  5951614043326 7 3    332310 3      C-13-H3C(O)CH3
  404831.9484  0.0394 -6.0630 3  590.3332372  595161404463017 3    462720 3      C-13-H3C(O)CH3
  404832.0343  0.0119 -6.3844 3  335.3561284  595161404352214 3    342312 3      C-13-H3C(O)CH3
  404838.2105  0.0024 -3.8479 3  274.3347316  59516140439 336 3    38 335 3      C-13-H3C(O)CH3
  404838.2105  0.0024 -3.8479 3  274.3347316  59516140439 436 3    38 435 3      C-13-H3C(O)CH3
  404838.2135  0.0024 -4.0032 3  274.3347316 -59516140439 336 3    38 435 3      C-13-H3C(O)CH3
  404838.2135  0.0024 -4.5990 3  274.3347316 -59516140439 336 4    38 335 4      C-13-H3C(O)CH3
  404838.2135  0.0024 -4.0032 3  274.3347316 -59516140439 436 3    38 335 3      C-13-H3C(O)CH3
  404838.2135  0.0024 -3.6655 3  274.3347316 -59516140439 436 4    38 335 4      C-13-H3C(O)CH3
  404838.2155  0.0024 -3.6655 3  274.3347316  59516140439 336 4    38 435 4      C-13-H3C(O)CH3
  404838.2155  0.0024 -4.5990 3  274.3347316  59516140439 436 4    38 435 4      C-13-H3C(O)CH3
  404850.9767  0.0593 -6.5951 3  384.1399776  59516140448 147 2    48 148 2      C-13-H3C(O)CH3
  404850.9767  0.0593 -6.5951 3  384.1399776  59516140448 247 2    48 048 2      C-13-H3C(O)CH3
  404850.9767  0.0593 -5.0085 3  384.1399776  59516140448 147 2    48 048 2      C-13-H3C(O)CH3
  404850.9767  0.0593 -5.0085 3  384.1399776  59516140448 247 2    48 148 2      C-13-H3C(O)CH3
  404852.3409  0.0621 -5.2181 3  384.1402776  59516140448 247 1    48 148 1      C-13-H3C(O)CH3
  404852.3409  0.0621 -5.3976 3  384.1402776  59516140448 247 1    48 048 1      C-13-H3C(O)CH3
  404852.3409  0.0621 -5.3976 3  384.1402776  59516140448 147 1    48 148 1      C-13-H3C(O)CH3
  404852.3409  0.0621 -5.2181 3  384.1402776  59516140448 147 1    48 048 1      C-13-H3C(O)CH3
  404861.7945  0.0426 -6.0945 3  567.7889364  595161404453016 3    452719 3      C-13-H3C(O)CH3
  404874.4398  0.0028 -3.4423 3  274.3150632  59516140439 436 1    38 335 1      C-13-H3C(O)CH3
  404874.4398  0.0028 -3.9160 3  274.3150632  59516140439 336 1    38 335 1      C-13-H3C(O)CH3
  404874.4440  0.0028 -3.3402 3  274.3146632 -59516140439 336 2    38 335 2      C-13-H3C(O)CH3
  404874.4440  0.0028 -3.9160 3  274.3150632 -59516140439 436 1    38 435 1      C-13-H3C(O)CH3
  404874.4440  0.0028 -4.5917 3  274.3146632 -59516140439 436 2    38 335 2      C-13-H3C(O)CH3
  404874.4440  0.0028 -3.4423 3  274.3150632 -59516140439 336 1    38 435 1      C-13-H3C(O)CH3
  404874.5961  0.0028 -3.3402 3  274.3146632  59516140439 436 2    38 435 2      C-13-H3C(O)CH3
  404874.5961  0.0028 -4.5917 3  274.3146632  59516140439 336 2    38 435 2      C-13-H3C(O)CH3
  404893.2554  0.0469 -5.8510 3 1034.2889A80  595161404671948 1    671849 1      C-13-H3C(O)CH3
  404893.2554  0.0469 -5.2044 3 1034.2889A80  595161404671948 1    671949 1      C-13-H3C(O)CH3
  404893.2554  0.0469 -5.2044 3 1034.2889A80  595161404672048 1    671849 1      C-13-H3C(O)CH3
  404893.2554  0.0469 -5.8510 3 1034.2889A80  595161404672048 1    671949 1      C-13-H3C(O)CH3
  404894.4968  0.0079 -5.3096 3   44.7577264  59516140416 313 2    15 214 2      C-13-H3C(O)CH3
  404894.4974  0.0079 -5.3096 3   44.7577264  59516140416 413 2    15 114 2      C-13-H3C(O)CH3
  404896.6121  0.0487 -5.1173 3 1034.2891A80  595161404671948 2    671949 2      C-13-H3C(O)CH3
  404896.6121  0.0487 -5.1173 3 1034.2891A80  595161404672048 2    671849 2      C-13-H3C(O)CH3
  404898.8994  0.0078 -5.3098 3   44.7582264  59516140416 313 1    15 214 1      C-13-H3C(O)CH3
  404898.8999  0.0078 -5.3098 3   44.7582264  59516140416 413 1    15 114 1      C-13-H3C(O)CH3
  404910.7720  0.0023 -3.5420 3  274.2950632 -59516140439 436 0    38 335 0      C-13-H3C(O)CH3
  404910.7720  0.0023 -3.6804 3  274.2950632 -59516140439 436 0    38 435 0      C-13-H3C(O)CH3
  404910.7720  0.0023 -3.7089 3  274.2950632 -59516140439 336 0    38 335 0      C-13-H3C(O)CH3
  404910.7720  0.0023 -3.5625 3  274.2950632 -59516140439 336 0    38 435 0      C-13-H3C(O)CH3
  404935.9399  0.0261 -6.6736 3  318.8149268  5951614043326 7 4    332310 4      C-13-H3C(O)CH3
  404945.5906  0.0020 -3.9955 3  216.3782236  595161404291415 3    281514 3      C-13-H3C(O)CH3
  404945.8717  0.0020 -3.9955 3  216.3782236  595161404291415 4    281514 4      C-13-H3C(O)CH3
  404949.9036  0.0639 -5.8720 3  659.8640792  595161404492920 0    492623 0      C-13-H3C(O)CH3
  404975.7278  0.0370 -5.4310 3 1034.2927540  595161404672048 3    671949 3      C-13-H3C(O)CH3
  404975.7278  0.0370 -5.4310 3 1034.2927540  595161404671948 3    671849 3      C-13-H3C(O)CH3
  404975.9046  0.0371 -6.5372 3 1034.2927540  595161404672048 4    671849 4      C-13-H3C(O)CH3
  404975.9046  0.0371 -5.4511 3 1034.2927540  595161404671948 4    671849 4      C-13-H3C(O)CH3
  404975.9046  0.0371 -6.5372 3 1034.2927540  595161404671948 4    671949 4      C-13-H3C(O)CH3
  404975.9046  0.0371 -5.4511 3 1034.2927540  595161404672048 4    671949 4      C-13-H3C(O)CH3
  405009.0307  0.0021 -3.9239 3  225.8093244 -595161404301317 4    291416 4      C-13-H3C(O)CH3
  405009.0307  0.0021 -3.9239 3  225.8093244 -595161404301317 3    291416 3      C-13-H3C(O)CH3
  405015.4882  0.0022 -3.6945 3  216.3933472 -595161404291415 1    281514 1      C-13-H3C(O)CH3
  405017.5971  0.2416 -6.7102 3 1931.2287E00  595161404873750 2    873651 2      C-13-H3C(O)CH3
  405017.5971  0.2416 -6.7107 3 1931.2287E00  595161404873850 2    873751 2      C-13-H3C(O)CH3
  405022.3282  0.0021 -3.9239 3  225.8089244  595161404301417 4    291316 4      C-13-H3C(O)CH3
  405022.5806  0.0021 -3.9239 3  225.8089244  595161404301417 3    291316 3      C-13-H3C(O)CH3
  405024.2338  0.0022 -3.6948 3  216.3887472 -595161404291415 2    281514 2      C-13-H3C(O)CH3
  405062.8004  0.0371 -5.8281 3  576.5376744  595161404462620 1    452917 1      C-13-H3C(O)CH3
  405067.8204  0.0023 -3.6229 3  225.8255488 -595161404301317 1    291416 1      C-13-H3C(O)CH3
  405073.9592  0.0190 -6.2467 3  318.8357536  5951614043326 7 1    332310 1      C-13-H3C(O)CH3
  405076.7663  0.0023 -3.6231 3  225.8222488 -595161404301317 2    291416 2      C-13-H3C(O)CH3
  405081.0172  0.0023 -3.6229 3  225.8252488 -595161404301417 1    291316 1      C-13-H3C(O)CH3
  405087.2660  0.0362 -4.7646 3  413.7433792  59516140449 347 0    49 148 0      C-13-H3C(O)CH3
  405087.2660  0.0362 -4.7646 3  413.7433792  59516140449 247 0    49 248 0      C-13-H3C(O)CH3
  405090.4873  0.0023 -3.6230 3  225.8218488 -595161404301417 2    291316 2      C-13-H3C(O)CH3
  405093.7389  0.0020 -3.6948 3  216.4039472 -595161404291415 0    281514 0      C-13-H3C(O)CH3
  405135.5166  0.0021 -3.6231 3  225.8384488 -595161404301317 0    291416 0      C-13-H3C(O)CH3
  405148.7538  0.0021 -3.6230 3  225.8381488 -595161404301417 0    291316 0      C-13-H3C(O)CH3
  405198.9918  0.1382 -6.4450 3  623.5816380  595161404473215 4    472918 4      C-13-H3C(O)CH3
  405300.6371  0.0563 -6.7316 3  693.7831380  5951614044742 5 4    4643 3 4      C-13-H3C(O)CH3
  405300.6807  0.0209 -6.2866 3  318.8436536  5951614043326 8 2    332310 2      C-13-H3C(O)CH3
  405305.8060  0.0276 -6.7187 3  318.8436536  5951614043326 7 2    332310 2      C-13-H3C(O)CH3
  405312.5197  0.0273 -6.6675 3  318.8021268  5951614043326 8 4    332311 4      C-13-H3C(O)CH3
  405315.9723  0.0079 -5.3083 3   44.6934264  59516140416 313 0    15 214 0      C-13-H3C(O)CH3
  405315.9729  0.0079 -5.3083 3   44.6934264  59516140416 413 0    15 114 0      C-13-H3C(O)CH3
  405328.4910  0.0320 -5.9099 3  617.4091776  595161404482623 0    472720 0      C-13-H3C(O)CH3
  405347.6791  0.0152 -4.9534 3  382.7081600  595161404372512 2    362610 2      C-13-H3C(O)CH3
  405383.8139  0.0066 -6.5487 3  182.3762220  595161404271215 3    27 918 3      C-13-H3C(O)CH3
  405383.8366  0.0081 -6.5487 3  182.3762220  595161404271215 4    27 918 4      C-13-H3C(O)CH3
  405387.1603  0.0232 -5.2165 3  131.9354180  5951614042216 6 4    2115 7 4      C-13-H3C(O)CH3
  405388.1471  0.0829 -6.2202 3 1500.7973628  595161404783049 4    782950 4      C-13-H3C(O)CH3
  405388.1471  0.0829 -6.2202 3 1500.7973628  595161404782949 4    782850 4      C-13-H3C(O)CH3
  405388.1660  0.0829 -6.2341 3 1500.7973628  595161404783049 3    782850 3      C-13-H3C(O)CH3
  405388.1660  0.0829 -6.2341 3 1500.7973628  595161404782949 3    782950 3      C-13-H3C(O)CH3
  405397.0999  0.0950 -6.2698 3  603.8369380  595161404472720 3    463017 3      C-13-H3C(O)CH3
  405398.5196  0.0081 -6.5487 3  182.3762220  595161404271315 4    271018 4      C-13-H3C(O)CH3
  405398.5649  0.0066 -6.5487 3  182.3762220  595161404271315 3    271018 3      C-13-H3C(O)CH3
  405413.2207  0.0876 -5.9403 3 1500.7766C56  595161404782949 1    782850 1      C-13-H3C(O)CH3
  405413.2207  0.0876 -5.9403 3 1500.7766C56  595161404783049 1    782950 1      C-13-H3C(O)CH3
  405415.2795  0.0339 -6.6170 3  567.8062728  595161404453015 1    452719 1      C-13-H3C(O)CH3
  405416.8531  0.0875 -5.9413 3 1500.7792C56  595161404783049 2    782950 2      C-13-H3C(O)CH3
  405416.8531  0.0875 -5.9413 3 1500.7792C56  595161404782949 2    782850 2      C-13-H3C(O)CH3
  405421.6419  0.0437 -5.8219 3  576.5446744  595161404462620 0    452917 0      C-13-H3C(O)CH3
  405426.1531  0.0212 -6.4850 3  318.7984268  5951614043326 8 3    332311 3      C-13-H3C(O)CH3
  405441.5609  0.0364 -5.1793 3  994.0952A64  595161404661948 0    661749 0      C-13-H3C(O)CH3
  405441.5609  0.0364 -5.6516 3  994.0952A64  595161404661948 0    661849 0      C-13-H3C(O)CH3
  405441.5609  0.0364 -5.1793 3  994.0952A64  595161404661848 0    661849 0      C-13-H3C(O)CH3
  405441.5609  0.0364 -5.6516 3  994.0952A64  595161404661848 0    661749 0      C-13-H3C(O)CH3
  405441.9160  0.0924 -5.9148 3 1500.7586C56  595161404783049 0    782950 0      C-13-H3C(O)CH3
  405441.9160  0.0924 -5.9148 3 1500.7586C56  595161404782949 0    782850 0      C-13-H3C(O)CH3
  405464.4329  0.0022 -3.8717 3  234.5823252 -595161404311219 4    301318 4      C-13-H3C(O)CH3
  405464.4329  0.0022 -3.8717 3  234.5823252 -595161404311219 3    301318 3      C-13-H3C(O)CH3
  405464.4329  0.0022 -3.8717 3  234.5823252 -595161404311319 4    301218 4      C-13-H3C(O)CH3
  405464.4329  0.0022 -3.8717 3  234.5823252 -595161404311319 3    301218 3      C-13-H3C(O)CH3
  405472.5823  0.0390 -6.4288 3  693.7606760  5951614044742 5 1    4643 3 1      C-13-H3C(O)CH3
  405509.2157  0.0158 -5.2233 3  382.6837300  595161404372512 4    362610 4      C-13-H3C(O)CH3
  405510.8841  0.0186 -6.1502 3  318.8619536  5951614043326 7 0    332310 0      C-13-H3C(O)CH3
  405513.9961  0.0124 -4.8444 3  382.7131600  595161404372512 0    362611 0      C-13-H3C(O)CH3
  405517.8484  0.0025 -3.5707 3  234.5989504 -595161404311219 1    301318 1      C-13-H3C(O)CH3
  405517.8484  0.0025 -3.5707 3  234.5989504 -595161404311319 1    301218 1      C-13-H3C(O)CH3
  405523.3956  0.0024 -3.5708 3  234.5964504 -595161404311319 2    301218 2      C-13-H3C(O)CH3
  405523.3956  0.0024 -3.5708 3  234.5964504 -595161404311219 2    301318 2      C-13-H3C(O)CH3
  405526.9460  0.0020 -3.9939 3  216.3630236  595161404291515 4    281414 4      C-13-H3C(O)CH3
  405528.3704  0.0020 -3.9939 3  216.3629236  595161404291515 3    281414 3      C-13-H3C(O)CH3
  405530.1796  0.0433 -5.0561 3  994.0946A64  595161404661948 1    661749 1      C-13-H3C(O)CH3
  405530.1796  0.0433 -5.0561 3  994.0946A64  595161404661848 1    661849 1      C-13-H3C(O)CH3
  405530.4747  0.0189 -6.2441 3  318.8202536  5951614043326 8 1    332311 1      C-13-H3C(O)CH3
  405532.9305  0.0445 -5.4374 3  994.0946A64  595161404661948 2    661849 2      C-13-H3C(O)CH3
  405532.9305  0.0445 -5.2840 3  994.0946A64  595161404661848 2    661849 2      C-13-H3C(O)CH3
  405532.9305  0.0445 -5.4374 3  994.0946A64  595161404661848 2    661749 2      C-13-H3C(O)CH3
  405532.9305  0.0445 -5.2840 3  994.0946A64  595161404661948 2    661749 2      C-13-H3C(O)CH3
  405552.9908  0.0183 -5.3098 3  382.6772300  595161404372512 3    362610 3      C-13-H3C(O)CH3
  405565.9642  0.0552 -5.3198 3  384.0740776  59516140448 247 0    48 048 0      C-13-H3C(O)CH3
  405565.9642  0.0552 -5.2743 3  384.0740776  59516140448 247 0    48 148 0      C-13-H3C(O)CH3
  405565.9642  0.0552 -5.2743 3  384.0740776  59516140448 147 0    48 048 0      C-13-H3C(O)CH3
  405565.9642  0.0552 -5.3198 3  384.0740776  59516140448 147 0    48 148 0      C-13-H3C(O)CH3
  405566.5227  0.0292 -5.9082 3  617.3890776  595161404482623 1    472720 1      C-13-H3C(O)CH3
  405568.8767  0.0065 -6.2462 3  182.3770440  595161404271215 2    27 918 2      C-13-H3C(O)CH3
  405576.7079  0.0021 -3.5708 3  234.6130504 -595161404311219 0    301318 0      C-13-H3C(O)CH3
  405576.7079  0.0021 -3.5708 3  234.6129504 -595161404311319 0    301218 0      C-13-H3C(O)CH3
  405584.0029  0.0065 -6.2462 3  182.3770440  595161404271315 2    271018 2      C-13-H3C(O)CH3
  405586.6899  0.0525 -6.7315 3  693.7328380  5951614044742 6 3    4643 4 3      C-13-H3C(O)CH3
  405592.7977  0.0022 -3.6930 3  216.3782472 -595161404291515 1    281414 1      C-13-H3C(O)CH3
  405593.7303  0.0151 -5.1088 3  382.6894600  595161404372512 1    362610 1      C-13-H3C(O)CH3
  405595.4897  0.0265 -6.4563 3  373.9889292  595161404362710 4    362413 4      C-13-H3C(O)CH3
  405614.7990  0.0101 -5.8639 3  307.3706552  595161404341816 2    341519 2      C-13-H3C(O)CH3
  405615.8909  0.0065 -6.2458 3  182.3786440  595161404271215 1    27 918 1      C-13-H3C(O)CH3
  405618.9480  0.0022 -3.6932 3  216.3732472 -595161404291515 2    281414 2      C-13-H3C(O)CH3
  405621.6688  0.0347 -5.3825 3  994.0940532  595161404661848 3    661749 3      C-13-H3C(O)CH3
  405621.6688  0.0347 -5.3539 3  994.0940532  595161404661948 3    661849 3      C-13-H3C(O)CH3
  405621.6688  0.0347 -6.5467 3  994.0940532  595161404661948 3    661749 3      C-13-H3C(O)CH3
  405621.8537  0.0347 -5.3589 3  994.0939532  595161404661848 4    661849 4      C-13-H3C(O)CH3
  405621.8537  0.0347 -5.3589 3  994.0939532  595161404661948 4    661749 4      C-13-H3C(O)CH3
  405630.4367  0.0065 -6.2458 3  182.3786440  595161404271315 1    271018 1      C-13-H3C(O)CH3
  405636.4919  0.0405 -6.4294 3  693.7354760  5951614044742 5 2    4643 3 2      C-13-H3C(O)CH3
  405644.4150  0.0183 -5.4098 3  451.8521664  595161404412319 1    402416 1      C-13-H3C(O)CH3
  405654.6496  0.0169 -5.4101 3  451.8732664  595161404412319 0    402416 0      C-13-H3C(O)CH3
  405659.9652  0.0212 -6.2541 3  374.0090584  595161404362710 1    362413 1      C-13-H3C(O)CH3
  405669.5035  0.0087 -5.8631 3  307.3966552  595161404341816 0    341519 0      C-13-H3C(O)CH3
  405672.8769  0.0111 -6.1651 3  307.3476276  595161404341816 3    341519 3      C-13-H3C(O)CH3
  405674.8803  0.0112 -6.1651 3  307.3476276  595161404341816 4    341519 4      C-13-H3C(O)CH3
  405683.9504  0.0021 -3.6933 3  216.3884472 -595161404291515 0    281414 0      C-13-H3C(O)CH3
  405726.9176  0.0297 -6.7145 3  318.8294536  5951614043326 8 2    332311 2      C-13-H3C(O)CH3
  405727.4311  0.0100 -5.8636 3  307.3737552  595161404341816 1    341519 1      C-13-H3C(O)CH3
  405732.0429  0.0199 -6.2896 3  318.8294536  5951614043326 7 2    332311 2      C-13-H3C(O)CH3
  405756.7153  0.0417 -6.4287 3  693.7102760  5951614044742 6 1    4643 4 1      C-13-H3C(O)CH3
  405770.2019  0.0563 -5.9060 3  617.3798776  595161404482623 2    472720 2      C-13-H3C(O)CH3
  405790.2799  0.0170 -5.1850 3  382.6828600  595161404372512 1    362611 1      C-13-H3C(O)CH3
  405793.2036  0.0519 -6.7302 3  693.7423380  5951614044742 5 3    4643 3 3      C-13-H3C(O)CH3
  405800.5826  0.0062 -6.2439 3  182.3794440  595161404271215 0    27 918 0      C-13-H3C(O)CH3
  405807.2246  0.0348 -6.4276 3  693.7127760  5951614044742 5 0    4643 3 0      C-13-H3C(O)CH3
  405807.2246  0.0348 -6.4276 3  693.7127760  5951614044742 6 0    4643 4 0      C-13-H3C(O)CH3
  405815.5170  0.0062 -6.2439 3  182.3794440  595161404271315 0    271018 0      C-13-H3C(O)CH3
  405829.3956  0.0262 -6.4820 3  373.9902292  595161404362710 3    362413 3      C-13-H3C(O)CH3
  405866.0040  0.0293 -5.4968 3  382.6908600  595161404372512 2    362611 2      C-13-H3C(O)CH3
  405871.6614  0.0821 -6.3188 3  603.8213380  595161404472720 4    463017 4      C-13-H3C(O)CH3
  405876.8057  0.0317 -5.6447 3  382.6664300  595161404372512 3    362611 3      C-13-H3C(O)CH3
  405883.5923  0.0185 -6.1495 3  318.8495536  5951614043326 8 0    332311 0      C-13-H3C(O)CH3
  405929.4389  0.0220 -6.3081 3  374.0090584  5951614043627 9 1    362413 1      C-13-H3C(O)CH3
  405938.7028  0.0594 -6.4427 3  567.8025728  595161404453015 2    452719 2      C-13-H3C(O)CH3
  405944.7272  0.0025 -5.1518 3  277.4836324  59516140440 338 3    39 337 3      C-13-H3C(O)CH3
  405944.7272  0.0025 -5.1518 3  277.4836324  59516140440 238 3    39 237 3      C-13-H3C(O)CH3
  405944.7431  0.0025 -3.6256 3  277.4836324  59516140440 338 4    39 237 4      C-13-H3C(O)CH3
  405944.7431  0.0025 -4.7638 3  277.4836324  59516140440 238 4    39 237 4      C-13-H3C(O)CH3
  405944.7921  0.0025 -3.6073 3  277.4836324 -59516140440 238 3    39 337 3      C-13-H3C(O)CH3
  405944.7921  0.0025 -3.5987 3  277.4836324 -59516140440 238 4    39 337 4      C-13-H3C(O)CH3
  405944.7921  0.0025 -5.6726 3  277.4836324 -59516140440 338 4    39 337 4      C-13-H3C(O)CH3
  405944.7921  0.0025 -3.6073 3  277.4836324 -59516140440 338 3    39 237 3      C-13-H3C(O)CH3
  405948.8103  0.0229 -6.1687 3  374.0122584  595161404362710 2    362413 2      C-13-H3C(O)CH3
  405974.1293  0.0029 -5.8235 3  277.4518648  59516140440 338 1    39 237 1      C-13-H3C(O)CH3
  405974.1293  0.0029 -3.2952 3  277.4518648  59516140440 238 1    39 237 1      C-13-H3C(O)CH3
  405974.1833  0.0029 -3.2946 3  277.4514648 -59516140440 238 2    39 237 2      C-13-H3C(O)CH3
  405974.1833  0.0029 -3.2946 3  277.4514648 -59516140440 338 2    39 337 2      C-13-H3C(O)CH3
  405974.1833  0.0029 -5.8235 3  277.4518648 -59516140440 238 1    39 337 1      C-13-H3C(O)CH3
  405974.1833  0.0029 -3.2952 3  277.4518648 -59516140440 338 1    39 337 1      C-13-H3C(O)CH3
  405974.2148  0.0029 -6.1209 3  277.4514648  59516140440 338 2    39 237 2      C-13-H3C(O)CH3
  405974.2148  0.0029 -6.1209 3  277.4514648  59516140440 238 2    39 337 2      C-13-H3C(O)CH3
  405981.3397  0.0283 -5.7057 3  451.8144332  595161404412319 4    402416 4      C-13-H3C(O)CH3
  405984.9541  0.0334 -6.7128 3  373.9902292  5951614043627 9 3    362413 3      C-13-H3C(O)CH3
  405986.1344  0.0287 -5.7056 3  451.8143332  595161404412319 3    402416 3      C-13-H3C(O)CH3
  405986.2020  0.5108 -6.4795 3 1280.9130A96  595161404684226 0    683929 0      C-13-H3C(O)CH3
  405997.9624  0.0265 -5.4048 3  451.8354664  595161404412319 2    402416 2      C-13-H3C(O)CH3
  406003.5074  0.0024 -3.3990 3  277.4197648 -59516140440 338 0    39 237 0      C-13-H3C(O)CH3
  406003.5074  0.0024 -3.9612 3  277.4197648 -59516140440 338 0    39 337 0      C-13-H3C(O)CH3
  406003.5074  0.0024 -3.3990 3  277.4197648 -59516140440 238 0    39 337 0      C-13-H3C(O)CH3
  406003.5074  0.0024 -3.9612 3  277.4197648 -59516140440 238 0    39 237 0      C-13-H3C(O)CH3
  406004.9152  0.0569 -6.2053 3  617.3597388  595161404482623 4    472720 4      C-13-H3C(O)CH3
  406013.0389  0.0563 -6.2053 3  617.3595388  595161404482623 3    472720 3      C-13-H3C(O)CH3
  406028.2480  0.0194 -5.9803 3  374.0315584  595161404362710 0    362413 0      C-13-H3C(O)CH3
  406045.1226  0.0329 -5.4490 3  954.4839A48  595161404651748 0    651749 0      C-13-H3C(O)CH3
  406045.1226  0.0329 -5.1794 3  954.4839A48  595161404651748 0    651649 0      C-13-H3C(O)CH3
  406045.1226  0.0329 -5.1794 3  954.4839A48  595161404651848 0    651749 0      C-13-H3C(O)CH3
  406045.1226  0.0329 -5.4490 3  954.4839A48  595161404651848 0    651649 0      C-13-H3C(O)CH3
  406076.4335  0.0543 -6.7301 3  693.6920380  5951614044742 6 4    4643 4 4      C-13-H3C(O)CH3
  406102.7514  0.0394 -6.4632 3  655.3434372  5951614044640 6 4    4541 4 4      C-13-H3C(O)CH3
  406107.7759  0.0298 -6.1609 3  655.3290744  5951614044640 6 1    4541 4 1      C-13-H3C(O)CH3
  406110.5014  0.0084 -5.6799 3   65.1781264  5951614041612 5 1    15 9 7 1      C-13-H3C(O)CH3
  406121.6978  0.3974 -6.4790 3 1280.9182A96  595161404684226 2    683929 2      C-13-H3C(O)CH3
  406126.4172  0.0411 -6.4280 3  693.6945760  5951614044742 6 2    4643 4 2      C-13-H3C(O)CH3
  406136.7135  0.0915 -5.9832 3  603.8325760  595161404472720 2    463017 2      C-13-H3C(O)CH3
  406141.4025  0.0391 -4.9939 3  954.4787A48  595161404651748 1    651749 1      C-13-H3C(O)CH3
  406141.4025  0.0391 -4.9924 3  954.4787A48  595161404651848 1    651649 1      C-13-H3C(O)CH3
  406143.5479  0.0399 -4.9926 3  954.4786A48  595161404651748 2    651649 2      C-13-H3C(O)CH3
  406143.5479  0.0399 -4.9926 3  954.4786A48  595161404651848 2    651749 2      C-13-H3C(O)CH3
  406200.4003  0.0024 -3.8295 3  242.7453260 -595161404321121 4    311220 4      C-13-H3C(O)CH3
  406200.4003  0.0023 -3.8295 3  242.7453260 -595161404321121 3    311220 3      C-13-H3C(O)CH3
  406200.4003  0.0024 -3.8295 3  242.7453260 -595161404321221 4    311120 4      C-13-H3C(O)CH3
  406200.4003  0.0023 -3.8295 3  242.7453260 -595161404321221 3    311120 3      C-13-H3C(O)CH3
  406221.6625  0.0352 -5.9283 3  382.6599300  595161404372512 4    362611 4      C-13-H3C(O)CH3
  406239.9520  0.0324 -5.3009 3  954.4734524  595161404651848 3    651649 3      C-13-H3C(O)CH3
  406239.9520  0.0324 -5.3009 3  954.4734524  595161404651748 3    651749 3      C-13-H3C(O)CH3
  406240.1379  0.0325 -5.3481 3  954.4734524  595161404651748 4    651749 4      C-13-H3C(O)CH3
  406240.1379  0.0325 -6.2173 3  954.4734524  595161404651848 4    651749 4      C-13-H3C(O)CH3
  406240.1379  0.0325 -5.3481 3  954.4734524  595161404651848 4    651649 4      C-13-H3C(O)CH3
  406240.1379  0.0325 -6.2173 3  954.4734524  595161404651748 4    651649 4      C-13-H3C(O)CH3
  406250.6129  0.0026 -3.5285 3  242.7615520 -595161404321121 1    311220 1      C-13-H3C(O)CH3
  406250.6129  0.0026 -3.5285 3  242.7615520 -595161404321221 1    311120 1      C-13-H3C(O)CH3
  406254.2831  0.0026 -3.5286 3  242.7597520 -595161404321121 2    311220 2      C-13-H3C(O)CH3
  406254.2831  0.0026 -3.5286 3  242.7597520 -595161404321221 2    311120 2      C-13-H3C(O)CH3
  406270.9359  0.0113 -6.3012 3  266.1280504  595161404312110 1    311615 1      C-13-H3C(O)CH3
  406304.2681  0.0022 -3.5286 3  242.7759520 -595161404321121 0    311220 0      C-13-H3C(O)CH3
  406304.2681  0.0022 -3.5286 3  242.7759520 -595161404321221 0    311120 0      C-13-H3C(O)CH3
  406327.6893  0.4829 -6.4790 3 1280.9088A96  595161404684226 1    683929 1      C-13-H3C(O)CH3
  406342.6501  0.0753 -6.1377 3 1454.2811620  595161404772849 4    772850 4      C-13-H3C(O)CH3
  406342.6501  0.0753 -6.1377 3 1454.2811620  595161404772949 4    772750 4      C-13-H3C(O)CH3
  406342.6526  0.0753 -6.1509 3 1454.2811620  595161404772949 3    772850 3      C-13-H3C(O)CH3
  406342.6526  0.0753 -6.1509 3 1454.2811620  595161404772849 3    772750 3      C-13-H3C(O)CH3
  406343.5005  0.2484 -6.6307 3 1879.6206D84  595161404863750 0    863651 0      C-13-H3C(O)CH3
  406343.5005  0.2484 -6.6307 3 1879.6206D84  595161404863650 0    863551 0      C-13-H3C(O)CH3
  406352.4421  0.0307 -6.1610 3  655.3070744  5951614044640 6 2    4541 4 2      C-13-H3C(O)CH3
  406356.7750  0.0125 -6.6036 3  266.1051252  595161404312110 3    311615 3      C-13-H3C(O)CH3
  406357.7749  0.0284 -6.1597 3  655.2923744  5951614044640 6 0    4541 4 0      C-13-H3C(O)CH3
  406357.7749  0.0284 -6.1597 3  655.2923744  5951614044640 7 0    4541 5 0      C-13-H3C(O)CH3
  406360.3810  0.0767 -5.9158 3 1454.2595C40  595161404772849 1    772750 1      C-13-H3C(O)CH3
  406360.3810  0.0767 -6.5733 3 1454.2595C40  595161404772949 1    772750 1      C-13-H3C(O)CH3
  406360.3810  0.0767 -5.9158 3 1454.2595C40  595161404772949 1    772850 1      C-13-H3C(O)CH3
  406360.3810  0.0767 -6.5733 3 1454.2595C40  595161404772849 1    772850 1      C-13-H3C(O)CH3
  406362.0562  0.0114 -6.6063 3  266.1051252  595161404312110 4    311615 4      C-13-H3C(O)CH3
  406364.7803  0.0789 -6.4252 3 1454.2619C40  595161404772949 2    772850 2      C-13-H3C(O)CH3
  406364.7803  0.0789 -5.9564 3 1454.2619C40  595161404772949 2    772750 2      C-13-H3C(O)CH3
  406364.7803  0.0789 -6.3272 3 1454.2619C40  595161404772849 2    772750 2      C-13-H3C(O)CH3
  406364.7803  0.0789 -5.9955 3 1454.2619C40  595161404772849 2    772850 2      C-13-H3C(O)CH3
  406374.4629  0.0315 -6.4381 3  374.0122584  5951614043627 9 2    362413 2      C-13-H3C(O)CH3
  406382.5285  0.0806 -5.8314 3 1454.2404C40  595161404772849 0    772850 0      C-13-H3C(O)CH3
  406382.5285  0.0806 -5.8305 3 1454.2404C40  595161404772949 0    772750 0      C-13-H3C(O)CH3
  406411.2339  0.0087 -5.7054 3   65.1763264  5951614041612 5 2    15 9 7 2      C-13-H3C(O)CH3
  406414.5848  0.0389 -6.4629 3  655.2933372  5951614044640 7 3    4541 5 3      C-13-H3C(O)CH3
  406418.6658  0.0115 -6.2903 3  266.1450504  595161404312110 0    311615 0      C-13-H3C(O)CH3
  406418.7028  0.0336 -6.1605 3  655.2788744  5951614044640 7 1    4541 5 1      C-13-H3C(O)CH3
  406472.5683  0.0511 -5.9696 3  603.8305760  595161404472720 1    463017 1      C-13-H3C(O)CH3
  406489.0251  0.0187 -5.2790 3  489.0386664  595161404413111 0    4032 8 0      C-13-H3C(O)CH3
  406489.2991  0.0187 -5.2790 3  489.0386664  595161404413110 0    4032 9 0      C-13-H3C(O)CH3
  406495.9994  0.0377 -6.4618 3  655.3098372  5951614044640 6 3    4541 4 3      C-13-H3C(O)CH3
  406512.1853  0.0115 -6.2930 3  266.1220504  595161404312110 2    311615 2      C-13-H3C(O)CH3
  406612.8950  0.0199 -5.2794 3  489.0327664  595161404413110 1    4032 8 1      C-13-H3C(O)CH3
  406626.7408  0.0292 -6.4173 3  915.4521A32  595161404641748 0    641649 0      C-13-H3C(O)CH3
  406626.7408  0.0292 -4.9492 3  915.4521A32  595161404641748 0    641549 0      C-13-H3C(O)CH3
  406626.7408  0.0292 -6.4173 3  915.4521A32  595161404641648 0    641549 0      C-13-H3C(O)CH3
  406626.7408  0.0292 -4.9492 3  915.4521A32  595161404641648 0    641649 0      C-13-H3C(O)CH3
  406643.3946  0.0183 -5.2782 3  489.0225664  595161404413111 2    4032 9 2      C-13-H3C(O)CH3
  406658.8352  0.0396 -6.2252 3  749.8165856  595161404532826 0    522923 0      C-13-H3C(O)CH3
  406719.3860  0.0188 -5.2787 3  489.0039664  595161404413111 1    4032 9 1      C-13-H3C(O)CH3
  406728.0750  0.0348 -5.0323 3  915.4422A32  595161404641648 1    641649 1      C-13-H3C(O)CH3
  406728.0750  0.0348 -5.6290 3  915.4422A32  595161404641648 1    641549 1      C-13-H3C(O)CH3
  406728.0750  0.0348 -5.0323 3  915.4422A32  595161404641748 1    641549 1      C-13-H3C(O)CH3
  406728.0750  0.0348 -5.6290 3  915.4422A32  595161404641748 1    641649 1      C-13-H3C(O)CH3
  406729.6430  0.0352 -5.7461 3  915.4421A32  595161404641648 2    641649 2      C-13-H3C(O)CH3
  406729.6430  0.0352 -5.0071 3  915.4421A32  595161404641648 2    641549 2      C-13-H3C(O)CH3
  406729.6430  0.0352 -5.7461 3  915.4421A32  595161404641748 2    641549 2      C-13-H3C(O)CH3
  406729.6430  0.0352 -5.0071 3  915.4421A32  595161404641748 2    641649 2      C-13-H3C(O)CH3
  406743.5574  0.0716 -6.5929 3  567.7885364  595161404453015 4    452719 4      C-13-H3C(O)CH3
  406744.3559  0.0321 -6.1596 3  655.2732744  5951614044640 7 2    4541 5 2      C-13-H3C(O)CH3
  406754.2296  0.8220 -6.5330 3 1320.8042B12  595161404694326 0    694029 0      C-13-H3C(O)CH3
  406764.7221  0.0210 -5.5798 3  489.0166332  595161404413110 3    4032 8 3      C-13-H3C(O)CH3
  406805.1623  0.0427 -6.4614 3  655.2596372  5951614044640 7 4    4541 5 4      C-13-H3C(O)CH3
  406805.9179  0.0195 -5.2787 3  489.0422664  595161404413110 2    4032 8 2      C-13-H3C(O)CH3
  406831.1039  0.0303 -5.2353 3  915.4322516  595161404641748 3    641549 3      C-13-H3C(O)CH3
  406831.1039  0.0303 -5.2353 3  915.4322516  595161404641648 3    641649 3      C-13-H3C(O)CH3
  406831.2818  0.0304 -5.6472 3  915.4321516  595161404641748 4    641649 4      C-13-H3C(O)CH3
  406831.2818  0.0304 -5.4477 3  915.4321516  595161404641748 4    641549 4      C-13-H3C(O)CH3
  406831.2818  0.0304 -5.6472 3  915.4321516  595161404641648 4    641549 4      C-13-H3C(O)CH3
  406831.2818  0.0304 -5.4477 3  915.4321516  595161404641648 4    641649 4      C-13-H3C(O)CH3
  406838.1942  0.0387 -6.2235 3  749.8081856  595161404532826 1    522923 1      C-13-H3C(O)CH3
  406853.3218  0.1689 -6.2360 3  744.3792420  595161404523121 3    522824 3      C-13-H3C(O)CH3
  406870.6534  0.1671 -6.2360 3  744.3792420  595161404523121 4    522824 4      C-13-H3C(O)CH3
  406872.1544  0.0199 -5.5789 3  488.9876332  595161404413111 4    4032 9 4      C-13-H3C(O)CH3
  406899.1674  0.0616 -6.2224 3  749.8054856  595161404532826 2    522923 2      C-13-H3C(O)CH3
  406928.2781  0.0235 -5.5801 3  489.0363332  595161404413110 4    4032 8 4      C-13-H3C(O)CH3
  406953.5705  0.0609 -5.9533 3  603.8346760  595161404472720 0    463017 0      C-13-H3C(O)CH3
  407033.6977  0.0204 -5.5796 3  489.0074332  595161404413111 3    4032 9 3      C-13-H3C(O)CH3
  407059.1345  0.0031 -3.9188 3  280.0951332  59516140441 140 3    40 239 3      C-13-H3C(O)CH3
  407059.1345  0.0031 -3.8332 3  280.0951332  59516140441 240 3    40 239 3      C-13-H3C(O)CH3
  407059.1506  0.0030 -4.8172 3  280.0951332  59516140441 140 4    40 139 4      C-13-H3C(O)CH3
  407059.1506  0.0030 -3.5983 3  280.0951332  59516140441 240 4    40 139 4      C-13-H3C(O)CH3
  407059.2035  0.0031 -3.9188 3  280.0951332 -59516140441 240 3    40 139 3      C-13-H3C(O)CH3
  407059.2035  0.0030 -4.8172 3  280.0951332 -59516140441 240 4    40 239 4      C-13-H3C(O)CH3
  407059.2035  0.0031 -3.8332 3  280.0951332 -59516140441 140 3    40 139 3      C-13-H3C(O)CH3
  407059.2035  0.0030 -3.5983 3  280.0951332 -59516140441 140 4    40 239 4      C-13-H3C(O)CH3
  407078.4373  0.0035 -5.6159 3  280.0478664  59516140441 240 1    40 239 1      C-13-H3C(O)CH3
  407078.4373  0.0035 -5.6159 3  280.0478664  59516140441 140 1    40 139 1      C-13-H3C(O)CH3
  407078.4854  0.0033 -5.5037 3  280.0474664 -59516140441 240 2    40 239 2      C-13-H3C(O)CH3
  407078.4854  0.0035 -3.2737 3  280.0478664 -59516140441 240 1    40 139 1      C-13-H3C(O)CH3
  407078.4854  0.0035 -3.2737 3  280.0478664 -59516140441 140 1    40 239 1      C-13-H3C(O)CH3
  407078.4854  0.0033 -3.2743 3  280.0474664 -59516140441 140 2    40 239 2      C-13-H3C(O)CH3
  407078.5093  0.0033 -3.2743 3  280.0474664  59516140441 240 2    40 139 2      C-13-H3C(O)CH3
  407078.5093  0.0033 -5.5037 3  280.0474664  59516140441 140 2    40 139 2      C-13-H3C(O)CH3
  407079.6304  0.0619 -6.5218 3  749.7970428  595161404532826 4    522923 4      C-13-H3C(O)CH3
  407082.0195  0.0615 -6.5218 3  749.7969428  595161404532826 3    522923 3      C-13-H3C(O)CH3
  407082.5386  0.0025 -3.7936 3  250.3249268 -595161404331123 4    321022 4      C-13-H3C(O)CH3
  407082.5386  0.0025 -3.7936 3  250.3249268 -595161404331023 4    321122 4      C-13-H3C(O)CH3
  407082.5386  0.0024 -3.7936 3  250.3249268 -595161404331023 3    321122 3      C-13-H3C(O)CH3
  407082.5386  0.0024 -3.7936 3  250.3249268 -595161404331123 3    321022 3      C-13-H3C(O)CH3
  407083.1970  0.0060 -5.5970 3   65.2128132  5951614041612 4 3    15 9 7 3      C-13-H3C(O)CH3
  407085.4938  0.0096 -5.8615 3  307.3706552  595161404341916 2    341619 2      C-13-H3C(O)CH3
  407097.7572  0.0028 -4.6923 3  280.0003664  59516140441 140 0    40 239 0      C-13-H3C(O)CH3
  407097.7572  0.0028 -4.6923 3  280.0003664  59516140441 240 0    40 139 0      C-13-H3C(O)CH3
  407097.7736  0.0028 -3.2884 3  280.0003664 -59516140441 240 0    40 239 0      C-13-H3C(O)CH3
  407097.7736  0.0028 -3.2884 3  280.0003664 -59516140441 140 0    40 139 0      C-13-H3C(O)CH3
  407112.3824  0.0188 -6.4855 3  134.8450360  5951614042217 6 1    2116 5 1      C-13-H3C(O)CH3
  407112.8093  0.0086 -5.8608 3  307.3966552  595161404341916 0    341619 0      C-13-H3C(O)CH3
  407130.6539  0.0027 -3.4925 3  250.3403536 -595161404331023 1    321122 1      C-13-H3C(O)CH3
  407130.6539  0.0027 -3.4925 3  250.3403536 -595161404331123 1    321022 1      C-13-H3C(O)CH3
  407133.1714  0.0027 -3.4926 3  250.3388536 -595161404331023 2    321122 2      C-13-H3C(O)CH3
  407133.1714  0.0027 -3.4926 3  250.3388536 -595161404331123 2    321022 2      C-13-H3C(O)CH3
  407133.6691  0.0103 -6.1628 3  307.3477276  595161404341916 4    341619 4      C-13-H3C(O)CH3
  407133.8452  0.0100 -6.1628 3  307.3477276  595161404341916 3    341619 3      C-13-H3C(O)CH3
  407156.4071  0.8475 -6.5336 3 1320.8062B12  595161404694326 2    694029 2      C-13-H3C(O)CH3
  407160.8488  0.0095 -5.8612 3  307.3737552  595161404341916 1    341619 1      C-13-H3C(O)CH3
  407161.5670  0.0253 -5.9244 3  618.2044728  5951614044538 7 1    4439 5 1      C-13-H3C(O)CH3
  407181.0865  0.0023 -3.4926 3  250.3541536 -595161404331023 0    321122 0      C-13-H3C(O)CH3
  407181.0865  0.0023 -3.4926 3  250.3541536 -595161404331123 0    321022 0      C-13-H3C(O)CH3
  407188.2639  0.0254 -5.1509 3  877.0006A16  595161404631648 0    631549 0      C-13-H3C(O)CH3
  407188.2639  0.0254 -5.1509 3  877.0006A16  595161404631548 0    631449 0      C-13-H3C(O)CH3
  407188.2639  0.0254 -5.2125 3  877.0006A16  595161404631548 0    631549 0      C-13-H3C(O)CH3
  407188.2639  0.0254 -5.2125 3  877.0006A16  595161404631648 0    631449 0      C-13-H3C(O)CH3
  407260.7471  0.0689 -6.1074 3 1408.3316612  595161404762849 3    762650 3      C-13-H3C(O)CH3
  407260.7471  0.0689 -6.1074 3 1408.3316612  595161404762749 3    762750 3      C-13-H3C(O)CH3
  407260.7627  0.0689 -6.0483 3 1408.3317612  595161404762749 4    762750 4      C-13-H3C(O)CH3
  407260.7627  0.0689 -6.0483 3 1408.3317612  595161404762849 4    762650 4      C-13-H3C(O)CH3
  407269.9921  0.0690 -5.7856 3 1408.3097C24  595161404762749 1    762650 1      C-13-H3C(O)CH3
  407269.9921  0.0690 -5.7654 3 1408.3097C24  595161404762849 1    762650 1      C-13-H3C(O)CH3
  407274.9703  0.0728 -6.5629 3 1408.3118C24  595161404762849 2    762750 2      C-13-H3C(O)CH3
  407274.9703  0.0728 -5.8186 3 1408.3118C24  595161404762849 2    762650 2      C-13-H3C(O)CH3
  407274.9703  0.0728 -6.5629 3 1408.3118C24  595161404762749 2    762650 2      C-13-H3C(O)CH3
  407274.9703  0.0728 -5.8186 3 1408.3118C24  595161404762749 2    762750 2      C-13-H3C(O)CH3
  407284.2465  0.0715 -6.3943 3 1408.2899C24  595161404762849 0    762750 0      C-13-H3C(O)CH3
  407284.2465  0.0715 -5.8573 3 1408.2899C24  595161404762849 0    762650 0      C-13-H3C(O)CH3
  407284.2465  0.0715 -6.3943 3 1408.2899C24  595161404762749 0    762650 0      C-13-H3C(O)CH3
  407284.2465  0.0715 -5.8573 3 1408.2899C24  595161404762749 0    762750 0      C-13-H3C(O)CH3
  407291.3318  0.0304 -4.9248 3  876.9861A16  595161404631548 1    631549 1      C-13-H3C(O)CH3
  407291.3318  0.0304 -5.8813 3  876.9861A16  595161404631548 1    631449 1      C-13-H3C(O)CH3
  407291.3318  0.0304 -5.8813 3  876.9861A16  595161404631648 1    631549 1      C-13-H3C(O)CH3
  407291.3318  0.0304 -4.9248 3  876.9861A16  595161404631648 1    631449 1      C-13-H3C(O)CH3
  407292.3760  0.0305 -5.1913 3  876.9859A16  595161404631648 2    631449 2      C-13-H3C(O)CH3
  407292.3760  0.0305 -4.9443 3  876.9859A16  595161404631548 2    631449 2      C-13-H3C(O)CH3
  407292.3760  0.0305 -5.7362 3  876.9859A16  595161404631548 2    631549 2      C-13-H3C(O)CH3
  407292.3760  0.0305 -5.1696 3  876.9859A16  595161404631648 2    631549 2      C-13-H3C(O)CH3
  407297.9236  0.0309 -6.2263 3  618.2139364  5951614044538 7 4    4439 5 4      C-13-H3C(O)CH3
  407313.8507  0.0252 -5.9233 3  618.1787728  5951614044538 8 0    4439 5 0      C-13-H3C(O)CH3
  407313.8507  0.0252 -5.9233 3  618.1787728  5951614044538 7 0    4439 6 0      C-13-H3C(O)CH3
  407359.8851  0.1691 -5.9371 3  744.3845840  595161404523121 2    522824 2      C-13-H3C(O)CH3
  407395.5698  0.0283 -5.7620 3  876.9713508  595161404631648 3    631449 3      C-13-H3C(O)CH3
  407395.5698  0.0283 -5.7620 3  876.9713508  595161404631548 3    631549 3      C-13-H3C(O)CH3
  407395.5698  0.0283 -5.3118 3  876.9713508  595161404631648 3    631549 3      C-13-H3C(O)CH3
  407395.5698  0.0283 -5.3118 3  876.9713508  595161404631548 3    631449 3      C-13-H3C(O)CH3
  407395.7288  0.0283 -5.2465 3  876.9713508  595161404631648 4    631549 4      C-13-H3C(O)CH3
  407395.7288  0.0283 -6.0278 3  876.9713508  595161404631648 4    631449 4      C-13-H3C(O)CH3
  407395.7288  0.0283 -5.2465 3  876.9713508  595161404631548 4    631449 4      C-13-H3C(O)CH3
  407395.7288  0.0283 -6.0278 3  876.9713508  595161404631548 4    631549 4      C-13-H3C(O)CH3
  407430.3277  0.0039 -3.6330 3  131.4951172 -5951614042119 2 4    2018 2 4      C-13-H3C(O)CH3
  407443.5346  0.0038 -4.6134 3   91.3354156  5951614041912 8 4    18 9 9 4      C-13-H3C(O)CH3
  407444.0562  0.0188 -6.3529 3  134.8477360  5951614042217 6 2    2116 5 2      C-13-H3C(O)CH3
  407448.9946  0.0258 -5.9242 3  618.1883728  5951614044538 7 2    4439 5 2      C-13-H3C(O)CH3
  407462.9746  0.0296 -5.9238 3  618.1570728  5951614044538 8 1    4439 6 1      C-13-H3C(O)CH3
  407526.6907  0.0042 -4.6128 3   91.3351156  5951614041912 8 3    18 9 9 3      C-13-H3C(O)CH3
  407530.3798  0.1973 -6.6080 3 1828.5774D68  595161404853650 2    853451 2      C-13-H3C(O)CH3
  407530.3798  0.1973 -6.7034 3 1828.5774D68  595161404853550 2    853451 2      C-13-H3C(O)CH3
  407535.1395  0.2193 -6.5150 3 1828.5740D68  595161404853650 1    853451 1      C-13-H3C(O)CH3
  407535.1395  0.2193 -6.5150 3 1828.5740D68  595161404853550 1    853551 1      C-13-H3C(O)CH3
  407540.0865  0.0992 -5.9375 3  744.3861840  595161404523121 1    522824 1      C-13-H3C(O)CH3
  407553.1737  0.0033 -3.6327 3  131.4283172 -5951614042119 3 3    2018 3 3      C-13-H3C(O)CH3
  407563.5450  0.0314 -6.2249 3  618.1864364  5951614044538 7 3    4439 5 3      C-13-H3C(O)CH3
  407575.7792  0.2231 -6.6267 3 1828.5703D68  595161404853550 0    853451 0      C-13-H3C(O)CH3
  407575.7792  0.2231 -6.6542 3 1828.5703D68  595161404853650 0    853551 0      C-13-H3C(O)CH3
  407590.0926  0.7640 -6.5344 3 1320.7934B12  595161404694326 1    694029 1      C-13-H3C(O)CH3
  407598.9764  0.0332 -6.2257 3  618.1666364  5951614044538 8 3    4439 6 3      C-13-H3C(O)CH3
  407610.4304  0.0036 -3.6325 3  131.4289172 -5951614042119 2 3    2018 2 3      C-13-H3C(O)CH3
  407671.4984  0.0033 -3.3314 3  131.4848344 -5951614042119 2 1    2018 2 1      C-13-H3C(O)CH3
  407713.7978  0.0034 -3.3312 3  131.4982344 -5951614042119 2 2    2018 2 2      C-13-H3C(O)CH3
  407714.7466  0.0274 -5.9228 3  618.1607728  5951614044538 8 2    4439 6 2      C-13-H3C(O)CH3
  407731.5869  0.0218 -4.9880 3  839.1302A00  595161404621548 0    621449 0      C-13-H3C(O)CH3
  407731.5869  0.0218 -4.9880 3  839.1302A00  595161404621448 0    621349 0      C-13-H3C(O)CH3
  407731.5869  0.0218 -5.3380 3  839.1302A00  595161404621548 0    621349 0      C-13-H3C(O)CH3
  407731.5869  0.0218 -5.3380 3  839.1302A00  595161404621448 0    621449 0      C-13-H3C(O)CH3
  407732.9157  0.0033 -3.6322 3  131.3623172 -5951614042119 3 4    2018 3 4      C-13-H3C(O)CH3
  407749.2299  0.0037 -4.3120 3   91.3117312  5951614041912 8 1    18 9 9 1      C-13-H3C(O)CH3
  407820.3045  0.0039 -4.3128 3   91.3075312  5951614041912 8 2    18 9 9 2      C-13-H3C(O)CH3
  407826.3804  0.0143 -6.3573 3   59.8719248  5951614041513 3 1    1410 4 1      C-13-H3C(O)CH3
  407832.2934  0.0263 -5.7990 3  839.1112A00  595161404621548 1    621349 1      C-13-H3C(O)CH3
  407832.2934  0.0263 -4.8763 3  839.1112A00  595161404621548 1    621449 1      C-13-H3C(O)CH3
  407832.2934  0.0263 -4.8763 3  839.1112A00  595161404621448 1    621349 1      C-13-H3C(O)CH3
  407832.2934  0.0263 -5.7990 3  839.1112A00  595161404621448 1    621449 1      C-13-H3C(O)CH3
  407832.8893  0.0261 -5.7492 3  839.1110A00  595161404621448 2    621449 2      C-13-H3C(O)CH3
  407832.8893  0.0261 -4.8283 3  839.1110A00  595161404621548 2    621449 2      C-13-H3C(O)CH3
  407832.8893  0.0261 -4.8827 3  839.1110A00  595161404621448 2    621349 2      C-13-H3C(O)CH3
  407835.8462  0.0033 -3.3309 3  131.4315344 -5951614042119 3 2    2018 3 2      C-13-H3C(O)CH3
  407850.7350  0.0032 -3.3309 3  131.4187344 -5951614042119 3 1    2018 3 1      C-13-H3C(O)CH3
  407862.7695  0.0364 -6.2243 3  618.1390364  5951614044538 8 4    4439 6 4      C-13-H3C(O)CH3
  407933.7174  0.0264 -5.1322 3  839.0919500  595161404621548 3    621449 3      C-13-H3C(O)CH3
  407933.7174  0.0264 -5.1322 3  839.0919500  595161404621448 3    621349 3      C-13-H3C(O)CH3
  407933.8445  0.0264 -5.3064 3  839.0919500  595161404621548 4    621449 4      C-13-H3C(O)CH3
  407933.8445  0.0264 -5.6006 3  839.0919500  595161404621548 4    621349 4      C-13-H3C(O)CH3
  407933.8445  0.0264 -5.6006 3  839.0919500  595161404621448 4    621449 4      C-13-H3C(O)CH3
  407933.8445  0.0264 -5.3064 3  839.0919500  595161404621448 4    621349 4      C-13-H3C(O)CH3
  407954.4050  0.0034 -3.3306 3  131.4879344 -5951614042119 3 0    2018 2 0      C-13-H3C(O)CH3
  407954.4050  0.0034 -3.3306 3  131.4879344 -5951614042119 2 0    2018 3 0      C-13-H3C(O)CH3
  408042.3056  0.1035 -5.9396 3  744.3913840  595161404523121 0    522824 0      C-13-H3C(O)CH3
  408046.2966  0.0025 -5.9943 3  257.3364276  595161404341025 4    331024 4      C-13-H3C(O)CH3
  408046.2966  0.0025 -6.1065 3  257.3364276  59516140434 925 4    33 924 4      C-13-H3C(O)CH3
  408046.3238  0.0025 -3.7644 3  257.3364276 -59516140434 925 4    331024 4      C-13-H3C(O)CH3
  408046.3238  0.0025 -3.7619 3  257.3364276 -59516140434 925 3    331024 3      C-13-H3C(O)CH3
  408046.3238  0.0025 -3.7619 3  257.3364276 -595161404341025 3    33 924 3      C-13-H3C(O)CH3
  408046.3238  0.0025 -3.7639 3  257.3364276 -595161404341025 4    33 924 4      C-13-H3C(O)CH3
  408083.2586  0.0037 -4.3127 3   91.2840312  5951614041912 8 0    18 9 9 0      C-13-H3C(O)CH3
  408093.1249  0.0028 -3.4613 3  257.3502552 -59516140434 925 1    331024 1      C-13-H3C(O)CH3
  408093.1249  0.0028 -3.4651 3  257.3502552 -595161404341025 1    33 924 1      C-13-H3C(O)CH3
  408093.1260  0.0028 -5.6866 3  257.3502552  595161404341025 1    331024 1      C-13-H3C(O)CH3
  408093.1260  0.0028 -6.0090 3  257.3502552  59516140434 925 1    33 924 1      C-13-H3C(O)CH3
  408094.8693  0.0028 -6.4262 3  257.3490552 -595161404341025 2    331024 2      C-13-H3C(O)CH3
  408094.8693  0.0028 -3.4613 3  257.3490552 -59516140434 925 2    331024 2      C-13-H3C(O)CH3
  408094.8728  0.0028 -6.5269 3  257.3490552  59516140434 925 2    33 924 2      C-13-H3C(O)CH3
  408094.8728  0.0028 -3.4613 3  257.3490552  595161404341025 2    33 924 2      C-13-H3C(O)CH3
  408109.6788  0.0052 -5.2740 3   65.1421264  5951614041612 4 0    15 9 7 0      C-13-H3C(O)CH3
  408141.5215  0.0024 -3.4625 3  257.3628552 -59516140434 925 0    331024 0      C-13-H3C(O)CH3
  408141.5215  0.0024 -3.4624 3  257.3628552 -595161404341025 0    33 924 0      C-13-H3C(O)CH3
  408141.5315  0.0024 -5.9241 3  257.3628552  59516140434 925 0    33 924 0      C-13-H3C(O)CH3
  408141.5315  0.0024 -5.8800 3  257.3628552  595161404341025 0    331024 0      C-13-H3C(O)CH3
  408143.5265  0.0642 -5.6705 3 1362.9283C08  595161404752649 1    752650 1      C-13-H3C(O)CH3
  408143.5265  0.0642 -5.6705 3 1362.9283C08  595161404752749 1    752550 1      C-13-H3C(O)CH3
  408143.8436  0.0635 -5.9853 3 1362.9501604  595161404752649 3    752550 3      C-13-H3C(O)CH3
  408143.8436  0.0635 -5.9853 3 1362.9501604  595161404752749 3    752650 3      C-13-H3C(O)CH3
  408143.8789  0.0636 -6.2864 3 1362.9501604  595161404752649 4    752550 4      C-13-H3C(O)CH3
  408143.8789  0.0636 -6.2500 3 1362.9501604  595161404752649 4    752650 4      C-13-H3C(O)CH3
  408143.8789  0.0636 -6.2500 3 1362.9501604  595161404752749 4    752550 4      C-13-H3C(O)CH3
  408143.8789  0.0636 -6.2864 3 1362.9501604  595161404752749 4    752650 4      C-13-H3C(O)CH3
  408148.6160  0.0649 -5.6709 3 1362.9083C08  595161404752749 0    752550 0      C-13-H3C(O)CH3
  408148.6160  0.0649 -5.6709 3 1362.9083C08  595161404752649 0    752650 0      C-13-H3C(O)CH3
  408148.8907  0.0690 -5.6915 3 1362.9301C08  595161404752749 2    752650 2      C-13-H3C(O)CH3
  408148.8907  0.0690 -5.6662 3 1362.9301C08  595161404752649 2    752550 2      C-13-H3C(O)CH3
  408181.6353  0.0043 -4.6131 3  282.1707340  59516140442 042 4    41 041 4      C-13-H3C(O)CH3
  408181.6353  0.0043 -4.6131 3  282.1707340  59516140442 142 4    41 141 4      C-13-H3C(O)CH3
  408181.6429  0.0043 -3.8151 3  282.1707340  59516140442 042 3    41 041 3      C-13-H3C(O)CH3
  408181.6429  0.0043 -3.8151 3  282.1707340  59516140442 142 3    41 141 3      C-13-H3C(O)CH3
  408181.6634  0.0043 -3.5902 3  282.1707340 -59516140442 042 4    41 141 4      C-13-H3C(O)CH3
  408181.6634  0.0043 -3.8920 3  282.1707340 -59516140442 042 3    41 141 3      C-13-H3C(O)CH3
  408181.6634  0.0043 -3.8920 3  282.1707340 -59516140442 142 3    41 041 3      C-13-H3C(O)CH3
  408181.6634  0.0043 -3.5902 3  282.1707340 -59516140442 142 4    41 041 4      C-13-H3C(O)CH3
  408186.3272  0.0055 -3.4060 3  282.1036680  59516140442 142 1    41 041 1      C-13-H3C(O)CH3
  408186.3272  0.0055 -3.4060 3  282.1036680  59516140442 042 1    41 141 1      C-13-H3C(O)CH3
  408186.4401  0.0051 -3.5639 3  282.1032680 -59516140442 142 2    41 141 2      C-13-H3C(O)CH3
  408186.4401  0.0051 -3.5639 3  282.1032680 -59516140442 042 2    41 041 2      C-13-H3C(O)CH3
  408186.4401  0.0055 -3.7691 3  282.1036680 -59516140442 142 1    41 141 1      C-13-H3C(O)CH3
  408186.4401  0.0055 -3.7691 3  282.1036680 -59516140442 042 1    41 041 1      C-13-H3C(O)CH3
  408186.4760  0.0051 -3.5378 3  282.1032680  59516140442 142 2    41 041 2      C-13-H3C(O)CH3
  408186.4760  0.0051 -3.5378 3  282.1032680  59516140442 042 2    41 141 2      C-13-H3C(O)CH3
  408191.1417  0.0044 -4.3114 3  282.0362680  59516140442 042 0    41 041 0      C-13-H3C(O)CH3
  408191.1417  0.0044 -3.2889 3  282.0362680  59516140442 142 0    41 041 0      C-13-H3C(O)CH3
  408191.1725  0.0044 -3.2889 3  282.0362680 -59516140442 042 0    41 141 0      C-13-H3C(O)CH3
  408191.1725  0.0044 -4.3114 3  282.0362680 -59516140442 142 0    41 141 0      C-13-H3C(O)CH3
  408226.1510  0.0144 -6.3128 3   59.8699248  5951614041513 3 2    1410 4 2      C-13-H3C(O)CH3
  408246.2318  0.0083 -6.6550 3  166.1396212  595161404261115 4    26 818 4      C-13-H3C(O)CH3
  408246.2893  0.0066 -6.6550 3  166.1396212  595161404261115 3    26 818 3      C-13-H3C(O)CH3
  408250.7725  0.0083 -6.6550 3  166.1396212  595161404261215 4    26 918 4      C-13-H3C(O)CH3
  408250.8554  0.0066 -6.6550 3  166.1396212  595161404261215 3    26 918 3      C-13-H3C(O)CH3
  408258.6498  0.0185 -4.7790 3  801.8416984  595161404611348 0    611349 0      C-13-H3C(O)CH3
  408258.6498  0.0185 -4.7790 3  801.8416984  595161404611448 0    611249 0      C-13-H3C(O)CH3
  408316.2113  0.0074 -5.4888 3   65.1781264  5951614041612 4 1    15 9 7 1      C-13-H3C(O)CH3
  408341.1866  0.0075 -5.4750 3   65.1763264  5951614041612 4 2    15 9 7 2      C-13-H3C(O)CH3
  408352.0687  0.0229 -6.6583 3  801.8184984  595161404611348 1    611349 1      C-13-H3C(O)CH3
  408352.0687  0.0229 -4.7845 3  801.8184984  595161404611348 1    611249 1      C-13-H3C(O)CH3
  408352.0687  0.0229 -5.6088 3  801.8184984  595161404611448 1    611249 1      C-13-H3C(O)CH3
  408352.0687  0.0229 -4.8482 3  801.8184984  595161404611448 1    611349 1      C-13-H3C(O)CH3
  408352.3090  0.0226 -5.3094 3  801.8182984  595161404611448 2    611249 2      C-13-H3C(O)CH3
  408352.3090  0.0226 -4.9303 3  801.8182984  595161404611448 2    611349 2      C-13-H3C(O)CH3
  408352.3090  0.0226 -5.3094 3  801.8182984  595161404611348 2    611349 2      C-13-H3C(O)CH3
  408352.3090  0.0226 -4.9303 3  801.8182984  595161404611348 2    611249 2      C-13-H3C(O)CH3
  408371.0400  0.0107 -6.6238 3  212.6199456  595161404281810 2    281315 2      C-13-H3C(O)CH3
  408405.5720  0.0102 -6.6204 3  212.6339456  595161404281810 0    281315 0      C-13-H3C(O)CH3
  408433.1618  0.0203 -6.5829 3  253.9714472  5951614042925 4 1    2922 7 1      C-13-H3C(O)CH3
  408445.8405  0.0245 -5.6285 3  801.7950492  595161404611348 3    611349 3      C-13-H3C(O)CH3
  408445.8405  0.0245 -5.6285 3  801.7950492  595161404611448 3    611249 3      C-13-H3C(O)CH3
  408445.8405  0.0245 -5.2236 3  801.7950492  595161404611448 3    611349 3      C-13-H3C(O)CH3
  408445.8405  0.0245 -5.2236 3  801.7950492  595161404611348 3    611249 3      C-13-H3C(O)CH3
  408445.9214  0.0245 -5.1806 3  801.7950492  595161404611348 4    611249 4      C-13-H3C(O)CH3
  408445.9214  0.0245 -5.7619 3  801.7950492  595161404611348 4    611349 4      C-13-H3C(O)CH3
  408445.9214  0.0245 -5.1806 3  801.7950492  595161404611448 4    611349 4      C-13-H3C(O)CH3
  408445.9214  0.0245 -5.7619 3  801.7950492  595161404611448 4    611249 4      C-13-H3C(O)CH3
  408485.1684  0.0107 -6.6257 3  212.6236456  595161404281810 1    281315 1      C-13-H3C(O)CH3
  408485.2369  0.0064 -6.3524 3  166.1346424  595161404261115 2    26 818 2      C-13-H3C(O)CH3
  408489.9327  0.0064 -6.3524 3  166.1346424  595161404261215 2    26 918 2      C-13-H3C(O)CH3
  408517.6446  0.0059 -5.6770 3   63.2287132  5951614041611 5 3    15 8 8 3      C-13-H3C(O)CH3
  408519.7675  0.0250 -5.1770 3  134.8121180  5951614042217 6 3    2116 5 3      C-13-H3C(O)CH3
  408525.6093  0.0064 -6.3520 3  166.1360424  595161404261115 1    26 818 1      C-13-H3C(O)CH3
  408530.1119  0.0064 -6.3519 3  166.1360424  595161404261215 1    26 918 1      C-13-H3C(O)CH3
  408565.3133  0.0156 -6.3456 3   59.8964124  5951614041513 3 3    1410 4 3      C-13-H3C(O)CH3
  408645.3560  0.0041 -4.7526 3   75.2648148  59516140418 810 3    17 711 3      C-13-H3C(O)CH3
  408646.9586  0.0058 -4.7525 3   75.2648148  59516140418 810 4    17 711 4      C-13-H3C(O)CH3
  408679.9435  0.0202 -6.5818 3  253.9621472  5951614042925 5 2    2922 8 2      C-13-H3C(O)CH3
  408694.8739  0.2350 -6.3145 3  833.8955444  595161404553322 3    553025 3      C-13-H3C(O)CH3
  408713.6786  0.1762 -6.4184 3 1778.0876D52  595161404843550 2    843451 2      C-13-H3C(O)CH3
  408713.6786  0.1762 -6.4184 3 1778.0876D52  595161404843450 2    843351 2      C-13-H3C(O)CH3
  408714.9316  0.2313 -6.3146 3  833.8956444  595161404553322 4    553025 4      C-13-H3C(O)CH3
  408716.8808  0.1944 -6.4219 3 1778.0841D52  595161404843550 1    843351 1      C-13-H3C(O)CH3
  408716.8808  0.1944 -6.4219 3 1778.0841D52  595161404843450 1    843451 1      C-13-H3C(O)CH3
  408721.0955  0.0240 -5.7103 3  582.3967712  5951614044436 8 1    4337 6 1      C-13-H3C(O)CH3
  408721.6221  0.0193 -6.5863 3  253.9801472  5951614042925 4 2    2922 7 2      C-13-H3C(O)CH3
  408729.5928  0.0030 -3.7720 3  134.8659180  5951614042217 5 4    2116 5 4      C-13-H3C(O)CH3
  408746.6620  0.0139 -6.2932 3   59.8964124  5951614041513 2 3    1410 4 3      C-13-H3C(O)CH3
  408759.0668  0.1986 -6.5761 3 1778.0778D52  595161404843450 0    843451 0      C-13-H3C(O)CH3
  408759.0668  0.1986 -6.5761 3 1778.0778D52  595161404843550 0    843351 0      C-13-H3C(O)CH3
  408764.0749  0.0062 -6.3498 3  166.1310424  595161404261115 0    26 818 0      C-13-H3C(O)CH3
  408768.7127  0.0062 -6.3498 3  166.1310424  595161404261215 0    26 918 0      C-13-H3C(O)CH3
  408771.4350  0.0156 -4.7346 3  765.1353968  595161404601248 0    601149 0      C-13-H3C(O)CH3
  408771.4350  0.0156 -4.7346 3  765.1353968  595161404601348 0    601249 0      C-13-H3C(O)CH3
  408774.4908  0.0241 -5.7094 3  582.3811712  5951614044436 9 0    4337 6 0      C-13-H3C(O)CH3
  408774.4909  0.0241 -5.7094 3  582.3811712  5951614044436 8 0    4337 7 0      C-13-H3C(O)CH3
  408788.1271  0.0100 -5.8524 3   65.2119132  5951614041612 4 4    15 9 7 4      C-13-H3C(O)CH3
  408796.5777  0.0029 -3.7897 3  134.8121180  5951614042217 5 3    2116 5 3      C-13-H3C(O)CH3
  408833.0676  0.0031 -3.7893 3  134.8016180  5951614042217 6 3    2116 6 3      C-13-H3C(O)CH3
  408845.8450  0.0057 -4.7523 3   75.2647148  59516140418 910 4    17 611 4      C-13-H3C(O)CH3
  408845.9017  0.0041 -4.7523 3   75.2647148  59516140418 910 3    17 611 3      C-13-H3C(O)CH3
  408851.7445  0.0200 -4.9479 3  765.1084968  595161404601348 2    601249 2      C-13-H3C(O)CH3
  408851.7445  0.0200 -5.1438 3  765.1084968  595161404601348 2    601149 2      C-13-H3C(O)CH3
  408851.7445  0.0200 -4.9479 3  765.1084968  595161404601248 2    601149 2      C-13-H3C(O)CH3
  408851.7445  0.0200 -5.1438 3  765.1084968  595161404601248 2    601249 2      C-13-H3C(O)CH3
  408851.7566  0.0205 -4.7348 3  765.1087968  595161404601248 1    601149 1      C-13-H3C(O)CH3
  408851.7566  0.0205 -4.7348 3  765.1087968  595161404601348 1    601249 1      C-13-H3C(O)CH3
  408881.3090  0.0044 -4.4506 3   75.2294296 -59516140418 810 2    17 711 2      C-13-H3C(O)CH3
  408895.5818  0.0202 -6.5800 3  253.9452472  5951614042925 5 1    2922 8 1      C-13-H3C(O)CH3
  408901.0989  0.0028 -3.7723 3  134.7478180 -5951614042217 6 4    2116 6 4      C-13-H3C(O)CH3
  408914.8219  0.0043 -4.4507 3   75.2307296  59516140418 810 1    17 711 1      C-13-H3C(O)CH3
  408929.5045  0.0027 -3.4708 3  134.8450360 -5951614042217 5 1    2116 5 1      C-13-H3C(O)CH3
  408932.1640  0.0226 -5.0347 3  765.0818484  595161404601248 3    601249 3      C-13-H3C(O)CH3
  408932.1640  0.0226 -5.0347 3  765.0818484  595161404601348 3    601149 3      C-13-H3C(O)CH3
  408932.1836  0.0226 -5.3846 3  765.0818484  595161404601248 4    601149 4      C-13-H3C(O)CH3
  408932.1836  0.0226 -5.2917 3  765.0818484  595161404601248 4    601249 4      C-13-H3C(O)CH3
  408932.1836  0.0226 -5.3846 3  765.0818484  595161404601348 4    601249 4      C-13-H3C(O)CH3
  408932.1836  0.0226 -5.2917 3  765.0818484  595161404601348 4    601149 4      C-13-H3C(O)CH3
  408946.1138  0.0052 -5.3823 3   63.1899264  5951614041611 5 2    15 8 8 2      C-13-H3C(O)CH3
  408962.7128  0.0279 -6.0117 3  582.4038356  5951614044436 8 4    4337 6 4      C-13-H3C(O)CH3
  408973.6482  0.0047 -5.3879 3   63.1918264  5951614041611 5 1    15 8 8 1      C-13-H3C(O)CH3
  408977.1638  0.0603 -5.8703 3 1318.0969B92  595161404742549 0    742550 0      C-13-H3C(O)CH3
  408977.1638  0.0603 -5.9056 3 1318.0969B92  595161404742549 0    742450 0      C-13-H3C(O)CH3
  408977.1638  0.0603 -5.9056 3 1318.0969B92  595161404742649 0    742550 0      C-13-H3C(O)CH3
  408977.1638  0.0603 -5.8703 3 1318.0969B92  595161404742649 0    742450 0      C-13-H3C(O)CH3
  408982.0094  0.0270 -5.7096 3  582.3538712  5951614044436 9 1    4337 7 1      C-13-H3C(O)CH3
  408982.3925  0.0617 -6.6821 3 1318.1165B92  595161404742549 1    742450 1      C-13-H3C(O)CH3
  408982.3925  0.0617 -5.6229 3 1318.1165B92  595161404742549 1    742550 1      C-13-H3C(O)CH3
  408982.3925  0.0617 -6.6821 3 1318.1165B92  595161404742649 1    742550 1      C-13-H3C(O)CH3
  408982.3925  0.0617 -5.6229 3 1318.1165B92  595161404742649 1    742450 1      C-13-H3C(O)CH3
  408987.5461  0.0028 -3.4704 3  134.8477360 -5951614042217 5 2    2116 5 2      C-13-H3C(O)CH3
  408987.9518  0.0668 -5.5910 3 1318.1180B92  595161404742549 2    742550 2      C-13-H3C(O)CH3
  408987.9518  0.0668 -5.5910 3 1318.1180B92  595161404742649 2    742450 2      C-13-H3C(O)CH3
  408993.2338  0.0590 -5.9211 3 1318.1377596  595161404742549 3    742450 3      C-13-H3C(O)CH3
  408993.2338  0.0590 -5.9211 3 1318.1377596  595161404742649 3    742550 3      C-13-H3C(O)CH3
  408993.2899  0.0590 -6.2855 3 1318.1377596  595161404742649 4    742550 4      C-13-H3C(O)CH3
  408993.2899  0.0590 -6.1095 3 1318.1377596  595161404742549 4    742550 4      C-13-H3C(O)CH3
  408993.2899  0.0590 -5.9471 3 1318.1377596  595161404742549 4    742450 4      C-13-H3C(O)CH3
  409005.7015  0.0064 -5.7203 3   63.2286132  5951614041611 5 4    15 8 8 4      C-13-H3C(O)CH3
  409014.8192  0.0237 -5.7099 3  582.3883712  5951614044436 8 2    4337 6 2      C-13-H3C(O)CH3
  409028.7848  0.0026 -3.4707 3  134.7811360 -5951614042217 6 1    2116 6 1      C-13-H3C(O)CH3
  409058.9878  0.0025 -4.3116 3  263.7892284 -59516140435 827 3    34 826 3      C-13-H3C(O)CH3
  409058.9878  0.0025 -3.9303 3  263.7892284 -59516140435 927 4    34 926 4      C-13-H3C(O)CH3
  409058.9878  0.0025 -3.8663 3  263.7892284 -59516140435 927 3    34 826 3      C-13-H3C(O)CH3
  409058.9878  0.0025 -3.9303 3  263.7892284 -59516140435 827 4    34 826 4      C-13-H3C(O)CH3
  409059.0445  0.0025 -4.1712 3  263.7892284  59516140435 927 4    34 826 4      C-13-H3C(O)CH3
  409059.0445  0.0025 -4.1712 3  263.7892284  59516140435 827 4    34 926 4      C-13-H3C(O)CH3
  409059.1122  0.0025 -4.3116 3  263.7892284  59516140435 927 3    34 926 3      C-13-H3C(O)CH3
  409059.1122  0.0025 -3.8663 3  263.7892284  59516140435 827 3    34 926 3      C-13-H3C(O)CH3
  409060.6739  0.0027 -3.4707 3  134.7938360 -5951614042217 6 2    2116 6 2      C-13-H3C(O)CH3
  409087.1245  0.0282 -6.0106 3  582.3808356  5951614044436 8 3    4337 6 3      C-13-H3C(O)CH3
  409088.8536  0.0044 -4.4504 3   75.2293296  59516140418 910 2    17 611 2      C-13-H3C(O)CH3
  409104.9647  0.0029 -3.8805 3  263.8007568 -59516140435 927 1    34 826 1      C-13-H3C(O)CH3
  409104.9647  0.0029 -3.8805 3  263.8007568 -59516140435 827 1    34 926 1      C-13-H3C(O)CH3
  409104.9939  0.0029 -3.6233 3  263.8007568  59516140435 927 1    34 926 1      C-13-H3C(O)CH3
  409104.9939  0.0029 -3.6233 3  263.8007568  59516140435 827 1    34 826 1      C-13-H3C(O)CH3
  409106.2275  0.0028 -4.2731 3  263.7998568 -59516140435 827 2    34 926 2      C-13-H3C(O)CH3
  409106.2275  0.0028 -4.2731 3  263.7998568 -59516140435 927 2    34 826 2      C-13-H3C(O)CH3
  409106.2334  0.0028 -3.4998 3  263.7998568  59516140435 927 2    34 926 2      C-13-H3C(O)CH3
  409106.2334  0.0028 -3.4998 3  263.7998568  59516140435 827 2    34 826 2      C-13-H3C(O)CH3
  409109.8778  0.0247 -5.1761 3  134.8016180  5951614042217 5 3    2116 6 3      C-13-H3C(O)CH3
  409117.0177  0.0042 -4.4505 3   75.2306296  59516140418 910 1    17 611 1      C-13-H3C(O)CH3
  409130.1679  0.0027 -3.4694 3  134.8283360 -5951614042217 6 0    2116 5 0      C-13-H3C(O)CH3
  409139.2495  0.0045 -5.3686 3   63.1531264  5951614041611 5 0    15 8 8 0      C-13-H3C(O)CH3
  409140.5385  0.0248 -5.7087 3  582.3651712  5951614044436 9 2    4337 7 2      C-13-H3C(O)CH3
  409149.5543  0.0044 -4.4498 3   75.1954296  59516140418 810 0    17 711 0      C-13-H3C(O)CH3
  409152.0261  0.0024 -5.1340 3  263.8113568  59516140435 927 0    34 826 0      C-13-H3C(O)CH3
  409152.0261  0.0024 -5.1340 3  263.8113568  59516140435 827 0    34 926 0      C-13-H3C(O)CH3
  409152.0680  0.0024 -3.4409 3  263.8113568 -59516140435 927 0    34 926 0      C-13-H3C(O)CH3
  409152.0680  0.0024 -3.4409 3  263.8113568 -59516140435 827 0    34 826 0      C-13-H3C(O)CH3
  409170.2938  0.0052 -4.6072 3   88.9023156  5951614041910 9 3    18 910 3      C-13-H3C(O)CH3
  409187.3918  0.0075 -4.6072 3   88.9023156  5951614041910 9 4    18 910 4      C-13-H3C(O)CH3
  409190.9680  0.0209 -6.5840 3  253.9958472  5951614042925 4 0    2922 7 0      C-13-H3C(O)CH3
  409199.8466  0.0209 -6.5840 3  253.9955472  5951614042925 5 0    2922 8 0      C-13-H3C(O)CH3
  409222.2230  0.0296 -6.0111 3  582.3610356  5951614044436 9 3    4337 7 3      C-13-H3C(O)CH3
  409244.2972  0.0027 -3.4692 3  134.8255360 -5951614042217 5 0    2116 6 0      C-13-H3C(O)CH3
  409246.7625  0.0054 -4.3056 3   88.8750312  5951614041910 9 2    18 910 2      C-13-H3C(O)CH3
  409271.9619  0.0136 -5.9982 3  729.0119952  595161404591248 0    591049 0      C-13-H3C(O)CH3
  409271.9619  0.0136 -5.9982 3  729.0119952  595161404591148 0    591149 0      C-13-H3C(O)CH3
  409271.9619  0.0136 -4.7155 3  729.0119952  595161404591148 0    591049 0      C-13-H3C(O)CH3
  409271.9619  0.0136 -4.7155 3  729.0119952  595161404591248 0    591149 0      C-13-H3C(O)CH3
  409285.0661  0.2365 -6.0161 3  833.8962888  595161404553322 2    553025 2      C-13-H3C(O)CH3
  409332.2890  0.0187 -5.0212 3  728.9825952  595161404591148 2    591149 2      C-13-H3C(O)CH3
  409332.2890  0.0187 -4.9689 3  728.9825952  595161404591248 2    591149 2      C-13-H3C(O)CH3
  409332.2890  0.0187 -5.0212 3  728.9825952  595161404591248 2    591049 2      C-13-H3C(O)CH3
  409332.2890  0.0187 -4.9689 3  728.9825952  595161404591148 2    591049 2      C-13-H3C(O)CH3
  409332.4462  0.0192 -4.6933 3  728.9828952  595161404591248 1    591149 1      C-13-H3C(O)CH3
  409332.4462  0.0192 -4.6933 3  728.9828952  595161404591148 1    591049 1      C-13-H3C(O)CH3
  409346.1255  0.0309 -6.0099 3  582.3378356  5951614044436 9 4    4337 7 4      C-13-H3C(O)CH3
  409356.1637  0.0052 -4.3056 3   88.8773312  5951614041910 9 1    18 910 1      C-13-H3C(O)CH3
  409359.5703  0.0043 -4.4495 3   75.1953296  59516140418 910 0    17 611 0      C-13-H3C(O)CH3
  409389.4392  0.1524 -6.0163 3  833.8967888  595161404553322 1    553025 1      C-13-H3C(O)CH3
  409392.7928  0.0207 -4.9941 3  728.9533476  595161404591148 4    591149 4      C-13-H3C(O)CH3
  409392.7928  0.0207 -4.9941 3  728.9533476  595161404591248 4    591049 4      C-13-H3C(O)CH3
  409392.8492  0.0207 -6.2388 3  728.9533476  595161404591148 3    591049 3      C-13-H3C(O)CH3
  409392.8492  0.0207 -6.2388 3  728.9533476  595161404591248 3    591149 3      C-13-H3C(O)CH3
  409392.8492  0.0207 -5.0195 3  728.9533476  595161404591248 3    591049 3      C-13-H3C(O)CH3
  409392.8492  0.0207 -5.0195 3  728.9533476  595161404591148 3    591149 3      C-13-H3C(O)CH3
  409424.6719  0.0052 -4.3050 3   88.8501312  5951614041910 9 0    18 910 0      C-13-H3C(O)CH3
  409521.0123  0.0281 -5.7532 3  585.5656744  595161404462918 0    462621 0      C-13-H3C(O)CH3
  409762.2806  0.0124 -4.9705 3  693.4720936  595161404581148 0    581049 0      C-13-H3C(O)CH3
  409762.2806  0.0124 -4.9468 3  693.4720936  595161404581148 0    58 949 0      C-13-H3C(O)CH3
  409762.2806  0.0124 -4.9705 3  693.4720936  595161404581048 0    58 949 0      C-13-H3C(O)CH3
  409762.2806  0.0124 -4.9468 3  693.4720936  595161404581048 0    581049 0      C-13-H3C(O)CH3
  409769.9376  0.0268 -5.7535 3  585.5506744  595161404462918 1    462621 1      C-13-H3C(O)CH3
  409771.4097  0.0570 -5.5103 3 1273.8570B76  595161404732549 0    732450 0      C-13-H3C(O)CH3
  409771.4097  0.0570 -5.5122 3 1273.8570B76  595161404732449 0    732350 0      C-13-H3C(O)CH3
  409787.9414  0.0606 -5.5565 3 1273.8756B76  595161404732449 1    732450 1      C-13-H3C(O)CH3
  409787.9414  0.0606 -6.4974 3 1273.8756B76  595161404732449 1    732350 1      C-13-H3C(O)CH3
  409787.9414  0.0606 -6.4974 3 1273.8756B76  595161404732549 1    732450 1      C-13-H3C(O)CH3
  409787.9414  0.0606 -5.5565 3 1273.8756B76  595161404732549 1    732350 1      C-13-H3C(O)CH3
  409793.5131  0.0653 -5.6551 3 1273.8768B76  595161404732449 2    732450 2      C-13-H3C(O)CH3
  409793.5131  0.0653 -5.6551 3 1273.8768B76  595161404732549 2    732350 2      C-13-H3C(O)CH3
  409793.5131  0.0653 -6.0545 3 1273.8768B76  595161404732449 2    732350 2      C-13-H3C(O)CH3
  409793.5131  0.0653 -6.0545 3 1273.8768B76  595161404732549 2    732450 2      C-13-H3C(O)CH3
  409795.0183  0.0184 -4.9178 3  693.4412936  595161404581148 2    581049 2      C-13-H3C(O)CH3
  409795.0183  0.0184 -4.9178 3  693.4412936  595161404581048 2    58 949 2      C-13-H3C(O)CH3
  409795.0183  0.0184 -5.0031 3  693.4412936  595161404581048 2    581049 2      C-13-H3C(O)CH3
  409795.0183  0.0184 -5.0031 3  693.4412936  595161404581148 2    58 949 2      C-13-H3C(O)CH3
  409795.2177  0.0187 -4.8195 3  693.4415936  595161404581148 1    58 949 1      C-13-H3C(O)CH3
  409795.2177  0.0187 -5.1636 3  693.4415936  595161404581048 1    58 949 1      C-13-H3C(O)CH3
  409795.2177  0.0187 -5.1636 3  693.4415936  595161404581148 1    581049 1      C-13-H3C(O)CH3
  409795.2177  0.0187 -4.8195 3  693.4415936  595161404581048 1    581049 1      C-13-H3C(O)CH3
  409808.2157  0.1335 -6.6536 3 1728.1659668  595161404833450 3    833251 3      C-13-H3C(O)CH3
  409808.2157  0.1335 -6.6274 3 1728.1659668  595161404833350 3    833351 3      C-13-H3C(O)CH3
  409810.1091  0.0551 -5.8109 3 1273.8955588  595161404732549 3    732350 3      C-13-H3C(O)CH3
  409810.1091  0.0551 -5.8109 3 1273.8955588  595161404732449 3    732450 3      C-13-H3C(O)CH3
  409810.1869  0.0552 -5.8110 3 1273.8955588  595161404732549 4    732350 4      C-13-H3C(O)CH3
  409810.1869  0.0552 -5.8110 3 1273.8955588  595161404732449 4    732450 4      C-13-H3C(O)CH3
  409827.8552  0.0189 -4.9701 3  693.4106468  595161404581148 4    581049 4      C-13-H3C(O)CH3
  409827.8552  0.0189 -4.9701 3  693.4106468  595161404581048 4    58 949 4      C-13-H3C(O)CH3
  409827.8552  0.0189 -6.5254 3  693.4106468  595161404581148 4    58 949 4      C-13-H3C(O)CH3
  409827.8552  0.0189 -6.5254 3  693.4106468  595161404581048 4    581049 4      C-13-H3C(O)CH3
  409828.0001  0.0189 -5.5971 3  693.4106468  595161404581048 3    581049 3      C-13-H3C(O)CH3
  409828.0001  0.0189 -5.0715 3  693.4106468  595161404581048 3    58 949 3      C-13-H3C(O)CH3
  409828.0001  0.0189 -5.5971 3  693.4106468  595161404581148 3    58 949 3      C-13-H3C(O)CH3
  409828.0001  0.0189 -5.0715 3  693.4106468  595161404581148 3    581049 3      C-13-H3C(O)CH3
  409850.9173  0.1560 -6.6274 3 1728.1570D36  595161404833350 2    833251 2      C-13-H3C(O)CH3
  409850.9173  0.1560 -6.3360 3 1728.1570D36  595161404833450 2    833351 2      C-13-H3C(O)CH3
  409850.9173  0.1560 -6.6234 3 1728.1570D36  595161404833350 2    833351 2      C-13-H3C(O)CH3
  409852.5860  0.1705 -6.6207 3 1728.1535D36  595161404833350 1    833251 1      C-13-H3C(O)CH3
  409852.5860  0.1705 -6.6301 3 1728.1535D36  595161404833350 1    833351 1      C-13-H3C(O)CH3
  409852.5860  0.1705 -6.6301 3 1728.1535D36  595161404833450 1    833251 1      C-13-H3C(O)CH3
  409852.5860  0.1705 -6.6207 3 1728.1535D36  595161404833450 1    833351 1      C-13-H3C(O)CH3
  409881.1515  0.0262 -5.7544 3  585.5470744  595161404462918 2    462621 2      C-13-H3C(O)CH3
  409895.2445  0.1751 -6.3999 3 1728.1446D36  595161404833450 0    833351 0      C-13-H3C(O)CH3
  409895.2445  0.1751 -6.3999 3 1728.1446D36  595161404833350 0    833251 0      C-13-H3C(O)CH3
  409976.4772  0.1567 -6.0190 3  833.8973888  595161404553322 0    553025 0      C-13-H3C(O)CH3
  409992.9519  0.3055 -6.4049 3  928.3749468  595161404583523 3    583226 3      C-13-H3C(O)CH3
  410014.4125  0.2999 -6.4050 3  928.3750468  595161404583523 4    583226 4      C-13-H3C(O)CH3
  410047.8324  0.0487 -6.6376 3  405.3256308  595161404382613 4    372710 4      C-13-H3C(O)CH3
  410077.4774  0.0197 -6.0569 3  585.5319372  595161404462918 4    462621 4      C-13-H3C(O)CH3
  410102.8533  0.0025 -3.7201 3  269.6895292 -59516140436 829 3    35 828 3      C-13-H3C(O)CH3
  410102.8533  0.0025 -3.7201 3  269.6895292 -59516140436 729 3    35 728 3      C-13-H3C(O)CH3
  410102.8533  0.0025 -4.4860 3  269.6895292 -59516140436 829 4    35 728 4      C-13-H3C(O)CH3
  410102.8533  0.0025 -4.4860 3  269.6895292 -59516140436 729 4    35 828 4      C-13-H3C(O)CH3
  410102.8631  0.0025 -3.7857 3  269.6895292  59516140436 829 4    35 828 4      C-13-H3C(O)CH3
  410102.8631  0.0025 -3.7857 3  269.6895292  59516140436 729 4    35 728 4      C-13-H3C(O)CH3
  410102.9189  0.0025 -5.2249 3  269.6895292  59516140436 829 3    35 728 3      C-13-H3C(O)CH3
  410102.9189  0.0025 -5.2249 3  269.6895292  59516140436 729 3    35 828 3      C-13-H3C(O)CH3
  410131.8466  0.0067 -3.8982 3  127.0603360  5951614042214 8 2    2113 9 2      C-13-H3C(O)CH3
  410133.9228  0.0267 -5.9878 3  545.6444712  595161404443015 1    442718 1      C-13-H3C(O)CH3
  410138.1171  0.0118 -6.0642 3   59.7694124  5951614041513 3 4    1410 5 4      C-13-H3C(O)CH3
  410148.0187  0.0029 -4.3687 3  269.6979584 -59516140436 829 1    35 828 1      C-13-H3C(O)CH3
  410148.0187  0.0029 -4.3687 3  269.6979584 -59516140436 729 1    35 728 1      C-13-H3C(O)CH3
  410148.0501  0.0029 -3.4557 3  269.6979584  59516140436 729 1    35 828 1      C-13-H3C(O)CH3
  410148.0501  0.0029 -3.4557 3  269.6979584  59516140436 829 1    35 728 1      C-13-H3C(O)CH3
  410148.9295  0.0029 -3.4849 3  269.6971584  59516140436 729 2    35 728 2      C-13-H3C(O)CH3
  410148.9295  0.0029 -4.1839 3  269.6971584  59516140436 829 2    35 728 2      C-13-H3C(O)CH3
  410148.9407  0.0029 -3.4849 3  269.6971584 -59516140436 829 2    35 828 2      C-13-H3C(O)CH3
  410148.9407  0.0029 -4.1839 3  269.6971584 -59516140436 729 2    35 828 2      C-13-H3C(O)CH3
  410156.8544  0.0133 -6.0771 3   59.9239124  5951614041513 2 4    1410 4 4      C-13-H3C(O)CH3
  410165.3360  0.0250 -5.8050 3  545.6580712  595161404443015 0    442718 0      C-13-H3C(O)CH3
  410173.3862  0.0052 -3.8961 3  127.0531360 -5951614042214 8 0    2113 9 0      C-13-H3C(O)CH3
  410182.2428  0.0229 -6.0545 3  585.5320372  595161404462918 3    462621 3      C-13-H3C(O)CH3
  410193.9636  0.0024 -3.7072 3  269.7055584 -59516140436 729 0    35 828 0      C-13-H3C(O)CH3
  410193.9636  0.0024 -3.7072 3  269.7055584 -59516140436 829 0    35 728 0      C-13-H3C(O)CH3
  410193.9728  0.0024 -3.7062 3  269.7055584  59516140436 729 0    35 728 0      C-13-H3C(O)CH3
  410193.9728  0.0024 -3.7062 3  269.7055584  59516140436 829 0    35 828 0      C-13-H3C(O)CH3
  410194.9166  0.0406 -6.3402 3  545.6277356  595161404443015 4    442718 4      C-13-H3C(O)CH3
  410205.5110  0.0097 -5.7204 3   59.8292248  5951614041513 3 0    1410 4 0      C-13-H3C(O)CH3
  410223.7046  0.0086 -4.2022 3  127.0710180  5951614042214 8 3    2113 9 3      C-13-H3C(O)CH3
  410226.5221  0.0406 -6.0655 3  405.3461616  595161404382613 2    372710 2      C-13-H3C(O)CH3
  410237.4289  0.0171 -5.3525 3  658.4548460  59516140457 948 4    57 949 4      C-13-H3C(O)CH3
  410237.4289  0.0171 -5.1328 3  658.4548460  595161404571048 4    57 949 4      C-13-H3C(O)CH3
  410237.4289  0.0171 -5.3525 3  658.4548460  595161404571048 4    57 849 4      C-13-H3C(O)CH3
  410237.4289  0.0171 -5.1328 3  658.4548460  59516140457 948 4    57 849 4      C-13-H3C(O)CH3
  410237.6700  0.0171 -5.6660 3  658.4548460  595161404571048 3    57 949 3      C-13-H3C(O)CH3
  410237.6700  0.0171 -5.0155 3  658.4548460  59516140457 948 3    57 949 3      C-13-H3C(O)CH3
  410237.6700  0.0171 -5.6660 3  658.4548460  59516140457 948 3    57 849 3      C-13-H3C(O)CH3
  410237.6700  0.0171 -5.0155 3  658.4548460  595161404571048 3    57 849 3      C-13-H3C(O)CH3
  410239.1516  0.0111 -5.8328 3   59.8719248  5951614041513 2 1    1410 4 1      C-13-H3C(O)CH3
  410240.9895  0.0185 -4.9271 3  658.4853920  595161404571048 2    57 949 2      C-13-H3C(O)CH3
  410240.9895  0.0185 -4.9271 3  658.4853920  59516140457 948 2    57 849 2      C-13-H3C(O)CH3
  410240.9895  0.0185 -4.9287 3  658.4853920  59516140457 948 2    57 949 2      C-13-H3C(O)CH3
  410240.9895  0.0185 -4.9287 3  658.4853920  595161404571048 2    57 849 2      C-13-H3C(O)CH3
  410241.1416  0.0187 -5.3711 3  658.4856920  59516140457 948 1    57 849 1      C-13-H3C(O)CH3
  410241.1416  0.0187 -4.7132 3  658.4856920  59516140457 948 1    57 949 1      C-13-H3C(O)CH3
  410241.1416  0.0187 -4.7132 3  658.4856920  595161404571048 1    57 849 1      C-13-H3C(O)CH3
  410241.1416  0.0187 -5.3711 3  658.4856920  595161404571048 1    57 949 1      C-13-H3C(O)CH3
  410244.4625  0.0122 -4.6748 3  658.5160920  595161404571048 0    57 949 0      C-13-H3C(O)CH3
  410244.4625  0.0122 -5.6088 3  658.5160920  595161404571048 0    57 849 0      C-13-H3C(O)CH3
  410244.4625  0.0122 -5.6088 3  658.5160920  59516140457 948 0    57 949 0      C-13-H3C(O)CH3
  410244.4625  0.0122 -4.6748 3  658.5160920  59516140457 948 0    57 849 0      C-13-H3C(O)CH3
  410305.4698  0.0066 -3.9010 3  127.0631360  5951614042214 8 1    2113 9 1      C-13-H3C(O)CH3
  410310.2450  0.0085 -4.2061 3  127.0697180  5951614042214 8 4    2113 9 4      C-13-H3C(O)CH3
  410329.9159  0.0368 -6.0158 3  545.6417712  595161404443015 2    442718 2      C-13-H3C(O)CH3
  410458.6151  0.0111 -5.8494 3   59.8699248  5951614041513 2 2    1410 4 2      C-13-H3C(O)CH3
  410505.6125  0.0163 -6.1761 3   67.3628132  5951614041613 4 4    1510 5 4      C-13-H3C(O)CH3
  410532.8767  0.0546 -6.1150 3 1230.1896B60  595161404722449 0    722250 0      C-13-H3C(O)CH3
  410532.8767  0.0546 -5.5357 3 1230.1896B60  595161404722449 0    722350 0      C-13-H3C(O)CH3
  410532.8767  0.0546 -5.5357 3 1230.1896B60  595161404722349 0    722250 0      C-13-H3C(O)CH3
  410532.8767  0.0546 -6.1150 3 1230.1896B60  595161404722349 0    722350 0      C-13-H3C(O)CH3
  410561.4750  0.0599 -6.2285 3 1230.2066B60  595161404722349 1    722250 1      C-13-H3C(O)CH3
  410561.4750  0.0599 -5.5101 3 1230.2066B60  595161404722449 1    722250 1      C-13-H3C(O)CH3
  410561.4750  0.0599 -6.2285 3 1230.2066B60  595161404722449 1    722350 1      C-13-H3C(O)CH3
  410561.4750  0.0599 -5.5101 3 1230.2066B60  595161404722349 1    722350 1      C-13-H3C(O)CH3
  410566.8904  0.0641 -5.4909 3 1230.2076B60  595161404722349 2    722250 2      C-13-H3C(O)CH3
  410566.8904  0.0641 -6.3455 3 1230.2076B60  595161404722449 2    722250 2      C-13-H3C(O)CH3
  410566.8904  0.0641 -6.3455 3 1230.2076B60  595161404722349 2    722350 2      C-13-H3C(O)CH3
  410566.8904  0.0641 -5.4909 3 1230.2076B60  595161404722449 2    722350 2      C-13-H3C(O)CH3
  410593.5026  0.3077 -6.1069 3  928.3724936  595161404583523 2    583226 2      C-13-H3C(O)CH3
  410595.5635  0.0517 -5.7438 3 1230.2247580  595161404722349 3    722350 3      C-13-H3C(O)CH3
  410595.5635  0.0517 -5.7438 3 1230.2247580  595161404722449 3    722250 3      C-13-H3C(O)CH3
  410595.6634  0.0517 -5.7390 3 1230.2247580  595161404722449 4    722250 4      C-13-H3C(O)CH3
  410595.6634  0.0517 -5.7390 3 1230.2247580  595161404722349 4    722350 4      C-13-H3C(O)CH3
  410600.7565  0.0236 -5.7465 3  558.4328728  595161404452818 0    452521 0      C-13-H3C(O)CH3
  410603.8507  0.0184 -6.3472 3  134.7938360  5951614042217 5 2    2116 6 2      C-13-H3C(O)CH3
  410621.5329  0.0157 -4.9092 3  624.0869452  59516140456 948 4    56 849 4      C-13-H3C(O)CH3
  410621.5329  0.0157 -4.9092 3  624.0869452  59516140456 848 4    56 749 4      C-13-H3C(O)CH3
  410621.8697  0.0156 -4.9584 3  624.0869452  59516140456 848 3    56 849 3      C-13-H3C(O)CH3
  410621.8697  0.0156 -5.8346 3  624.0869452  59516140456 848 3    56 749 3      C-13-H3C(O)CH3
  410621.8697  0.0156 -4.9584 3  624.0869452  59516140456 948 3    56 749 3      C-13-H3C(O)CH3
  410621.8697  0.0156 -5.8346 3  624.0869452  59516140456 948 3    56 849 3      C-13-H3C(O)CH3
  410624.2898  0.2156 -6.1068 3  928.3716936  595161404583523 1    583226 1      C-13-H3C(O)CH3
  410671.2394  0.0184 -4.9227 3  624.1155904  59516140456 848 2    56 749 2      C-13-H3C(O)CH3
  410671.2394  0.0184 -4.8862 3  624.1155904  59516140456 848 2    56 849 2      C-13-H3C(O)CH3
  410671.2394  0.0184 -4.9227 3  624.1155904  59516140456 948 2    56 849 2      C-13-H3C(O)CH3
  410671.2394  0.0184 -4.8862 3  624.1155904  59516140456 948 2    56 749 2      C-13-H3C(O)CH3
  410671.2774  0.0186 -4.7575 3  624.1158904  59516140456 948 1    56 749 1      C-13-H3C(O)CH3
  410671.2774  0.0186 -5.1270 3  624.1158904  59516140456 948 1    56 849 1      C-13-H3C(O)CH3
  410671.2774  0.0186 -4.7575 3  624.1158904  59516140456 848 1    56 849 1      C-13-H3C(O)CH3
  410671.2774  0.0186 -5.1270 3  624.1158904  59516140456 848 1    56 749 1      C-13-H3C(O)CH3
  410711.5761  0.0240 -5.5798 3  405.3273616  595161404382613 1    372710 1      C-13-H3C(O)CH3
  410717.1902  0.0415 -5.9849 3  405.3144308  595161404382613 3    372710 3      C-13-H3C(O)CH3
  410720.5893  0.0124 -4.6030 3  624.1444904  59516140456 848 0    56 749 0      C-13-H3C(O)CH3
  410720.5893  0.0124 -4.6030 3  624.1444904  59516140456 948 0    56 849 0      C-13-H3C(O)CH3
  410771.7351  0.0120 -5.7626 3  412.5107632  595161404392317 0    392020 0      C-13-H3C(O)CH3
  410776.4586  0.0132 -4.8924 3  405.3477616  595161404382613 0    372710 0      C-13-H3C(O)CH3
  410798.2950  0.0234 -5.7463 3  558.4159728  595161404452818 1    452521 1      C-13-H3C(O)CH3
  410823.1565  0.0135 -5.7626 3  412.4824632  595161404392317 2    392020 2      C-13-H3C(O)CH3
  410823.8974  0.0153 -4.9218 3  405.3261616  595161404382613 2    372711 2      C-13-H3C(O)CH3
  410845.9795  0.0181 -6.4790 3  134.7811360  5951614042217 5 1    2116 6 1      C-13-H3C(O)CH3
  410868.1080  0.0213 -5.7468 3  558.4122728  595161404452818 2    452521 2      C-13-H3C(O)CH3
  410876.3700  0.0227 -5.5124 3  547.9107696  595161404433410 0    4235 7 0      C-13-H3C(O)CH3
  410876.3722  0.0227 -5.5124 3  547.9107696  5951614044334 9 0    4235 8 0      C-13-H3C(O)CH3
  410877.5216  0.0128 -5.7624 3  412.4861632  595161404392317 1    392020 1      C-13-H3C(O)CH3
  410901.9139  0.1195 -6.5353 3 1678.7984660  595161404823350 4    823251 4      C-13-H3C(O)CH3
  410906.2633  0.0161 -5.1054 3  458.1494648  595161404402912 0    3930 9 0      C-13-H3C(O)CH3
  410912.2652  0.0232 -5.5130 3  547.9175696  5951614044334 9 1    4235 7 1      C-13-H3C(O)CH3
  410915.5168  0.0161 -5.1054 3  458.1494648  595161404402911 0    393010 0      C-13-H3C(O)CH3
  410927.4156  0.0137 -6.0634 3  412.4577316  595161404392317 4    392020 4      C-13-H3C(O)CH3
  410930.5919  0.0136 -6.0634 3  412.4577316  595161404392317 3    392020 3      C-13-H3C(O)CH3
  410931.6275  0.0168 -5.1048 3  458.1325648  595161404402912 2    393010 2      C-13-H3C(O)CH3
  410943.9455  0.1372 -6.2793 3 1678.7869D20  595161404823350 2    823151 2      C-13-H3C(O)CH3
  410943.9455  0.1372 -6.7080 3 1678.7869D20  595161404823250 2    823151 2      C-13-H3C(O)CH3
  410943.9455  0.1372 -6.4086 3 1678.7869D20  595161404823250 2    823251 2      C-13-H3C(O)CH3
  410944.1475  0.1480 -6.5855 3 1678.7835D20  595161404823250 1    823151 1      C-13-H3C(O)CH3
  410944.1475  0.1480 -6.4862 3 1678.7835D20  595161404823250 1    823251 1      C-13-H3C(O)CH3
  410944.1475  0.1480 -6.3184 3 1678.7835D20  595161404823350 1    823251 1      C-13-H3C(O)CH3
  410977.9638  0.0168 -5.2692 3  405.3057308  595161404382613 3    372711 3      C-13-H3C(O)CH3
  410980.1569  0.0149 -5.5505 3  590.3081444  59516140455 748 4    55 649 4      C-13-H3C(O)CH3
  410980.1569  0.0149 -4.9855 3  590.3081444  59516140455 748 4    55 749 4      C-13-H3C(O)CH3
  410980.1569  0.0149 -5.5869 3  590.3081444  59516140455 848 4    55 749 4      C-13-H3C(O)CH3
  410980.1569  0.0149 -4.9951 3  590.3081444  59516140455 848 4    55 649 4      C-13-H3C(O)CH3
  410980.5758  0.0147 -4.8893 3  590.3081444  59516140455 748 3    55 749 3      C-13-H3C(O)CH3
  410980.5758  0.0147 -4.8893 3  590.3081444  59516140455 848 3    55 649 3      C-13-H3C(O)CH3
  410983.0825  0.0180 -5.2081 3  405.2944308  595161404382613 4    372711 4      C-13-H3C(O)CH3
  410986.0856  0.1532 -6.2361 3 1678.7721D20  595161404823350 0    823251 0      C-13-H3C(O)CH3
  410986.0856  0.1532 -6.2361 3 1678.7721D20  595161404823250 0    823151 0      C-13-H3C(O)CH3
  411037.3195  0.0065 -6.4731 3  150.4778408  595161404251015 2    25 718 2      C-13-H3C(O)CH3
  411038.6746  0.0065 -6.4731 3  150.4778408  595161404251115 2    25 818 2      C-13-H3C(O)CH3
  411039.0454  0.0173 -6.0479 3  558.3952364  595161404452818 4    452521 4      C-13-H3C(O)CH3
  411045.8509  0.0459 -6.2136 3  545.6286356  595161404443015 3    442718 3      C-13-H3C(O)CH3
  411047.8157  0.0145 -4.9916 3  405.3161616  595161404382613 1    372711 1      C-13-H3C(O)CH3
  411071.8341  0.0065 -6.4726 3  150.4789408  595161404251015 1    25 718 1      C-13-H3C(O)CH3
  411073.1298  0.0065 -6.4726 3  150.4789408  595161404251115 1    25 818 1      C-13-H3C(O)CH3
  411076.5324  0.0171 -5.1056 3  458.1377648  595161404402911 1    3930 9 1      C-13-H3C(O)CH3
  411086.6725  0.0180 -4.5876 3  590.3330888  59516140455 848 1    55 649 1      C-13-H3C(O)CH3
  411086.6725  0.0180 -4.5876 3  590.3330888  59516140455 748 1    55 749 1      C-13-H3C(O)CH3
  411086.7820  0.0178 -4.5883 3  590.3326888  59516140455 848 2    55 649 2      C-13-H3C(O)CH3
  411086.7820  0.0178 -4.5883 3  590.3326888  59516140455 748 2    55 749 2      C-13-H3C(O)CH3
  411089.6828  0.0358 -6.2698 3  545.6444712  595161404443014 1    442718 1      C-13-H3C(O)CH3
  411092.2377  0.0178 -6.0472 3  558.3953364  595161404452818 3    452521 3      C-13-H3C(O)CH3
  411094.9679  0.0185 -5.4061 3  458.1207324  595161404402912 3    3930 9 3      C-13-H3C(O)CH3
  411103.7915  0.0165 -5.1051 3  458.1157648  595161404402912 1    393010 1      C-13-H3C(O)CH3
  411109.5723  0.0239 -5.5123 3  547.8802696  595161404433410 1    4235 8 1      C-13-H3C(O)CH3
  411120.6696  0.0029 -5.6564 3  140.1584188  5951614042315 9 4    2214 9 4      C-13-H3C(O)CH3
  411124.7228  0.0184 -5.4054 3  458.0985324  595161404402912 4    393010 4      C-13-H3C(O)CH3
  411137.5938  0.0357 -6.0904 3  480.2513340  595161404422418 3    422121 3      C-13-H3C(O)CH3
  411143.5475  0.0334 -5.7900 3  480.2735680  595161404422418 2    422121 2      C-13-H3C(O)CH3
  411145.1429  0.0356 -6.0904 3  480.2513340  595161404422418 4    422121 4      C-13-H3C(O)CH3
  411165.4503  0.0222 -5.5115 3  547.8966696  595161404433410 2    4235 8 2      C-13-H3C(O)CH3
  411167.5167  0.0025 -3.6873 3  275.0418300  59516140437 731 4    36 630 4      C-13-H3C(O)CH3
  411167.5167  0.0025 -5.5896 3  275.0418300  59516140437 631 4    36 630 4      C-13-H3C(O)CH3
  411167.5594  0.0025 -4.6700 3  275.0418300  59516140437 731 3    36 730 3      C-13-H3C(O)CH3
  411167.5594  0.0025 -4.6700 3  275.0418300  59516140437 631 3    36 630 3      C-13-H3C(O)CH3
  411167.5902  0.0025 -3.6873 3  275.0418300 -59516140437 631 4    36 730 4      C-13-H3C(O)CH3
  411167.5902  0.0025 -3.7290 3  275.0418300 -59516140437 631 3    36 730 3      C-13-H3C(O)CH3
  411167.5902  0.0025 -5.5896 3  275.0418300 -59516140437 731 4    36 730 4      C-13-H3C(O)CH3
  411167.5902  0.0025 -3.7290 3  275.0418300 -59516140437 731 3    36 630 3      C-13-H3C(O)CH3
  411179.1168  0.0225 -5.5124 3  547.9173696  5951614044334 9 2    4235 7 2      C-13-H3C(O)CH3
  411180.5382  0.0170 -5.1049 3  458.1530648  595161404402911 2    3930 9 2      C-13-H3C(O)CH3
  411192.7400  0.0128 -4.9083 3  590.3574888  59516140455 748 0    55 749 0      C-13-H3C(O)CH3
  411192.7400  0.0128 -4.9083 3  590.3574888  59516140455 848 0    55 649 0      C-13-H3C(O)CH3
  411192.7400  0.0128 -4.8685 3  590.3574888  59516140455 848 0    55 749 0      C-13-H3C(O)CH3
  411192.7400  0.0128 -4.8685 3  590.3574888  59516140455 748 0    55 649 0      C-13-H3C(O)CH3
  411200.0842  0.0254 -5.8132 3  547.9034348  5951614044334 9 3    4235 7 3      C-13-H3C(O)CH3
  411211.5769  0.0029 -3.3812 3  275.0459600 -59516140437 731 1    36 630 1      C-13-H3C(O)CH3
  411211.5769  0.0029 -3.3812 3  275.0459600 -59516140437 631 1    36 730 1      C-13-H3C(O)CH3
  411211.7305  0.0029 -6.4338 3  275.0459600  59516140437 631 1    36 630 1      C-13-H3C(O)CH3
  411211.7305  0.0029 -6.4338 3  275.0459600  59516140437 731 1    36 730 1      C-13-H3C(O)CH3
  411212.1827  0.0029 -3.5696 3  275.0452600 -59516140437 731 2    36 730 2      C-13-H3C(O)CH3
  411212.1827  0.0029 -3.5696 3  275.0452600 -59516140437 631 2    36 630 2      C-13-H3C(O)CH3
  411212.3454  0.0029 -3.8337 3  275.0452600  59516140437 731 2    36 630 2      C-13-H3C(O)CH3
  411212.3454  0.0029 -3.8337 3  275.0452600  59516140437 631 2    36 730 2      C-13-H3C(O)CH3
  411215.5607  0.0269 -5.8141 3  547.9241348  5951614044334 9 4    4235 7 4      C-13-H3C(O)CH3
  411223.8418  0.2199 -6.1098 3  928.3690936  595161404583523 0    583226 0      C-13-H3C(O)CH3
  411238.2393  0.0141 -4.9213 3  405.3461616  595161404382612 2    372710 2      C-13-H3C(O)CH3
  411256.3965  0.0024 -4.0677 3  275.0493600 -59516140437 631 0    36 630 0      C-13-H3C(O)CH3
  411256.3965  0.0024 -3.4808 3  275.0493600 -59516140437 731 0    36 630 0      C-13-H3C(O)CH3
  411256.4291  0.0024 -4.0677 3  275.0493600  59516140437 731 0    36 730 0      C-13-H3C(O)CH3
  411256.4291  0.0024 -3.4808 3  275.0493600  59516140437 631 0    36 730 0      C-13-H3C(O)CH3
  411263.1018  0.0524 -5.3823 3 1187.0959B44  595161404712349 0    712250 0      C-13-H3C(O)CH3
  411263.1018  0.0524 -6.6800 3 1187.0959B44  595161404712249 0    712250 0      C-13-H3C(O)CH3
  411263.1018  0.0524 -5.3823 3 1187.0959B44  595161404712249 0    712150 0      C-13-H3C(O)CH3
  411263.1018  0.0524 -6.6800 3 1187.0959B44  595161404712349 0    712150 0      C-13-H3C(O)CH3
  411282.3120  0.0134 -4.8911 3  405.3473616  595161404382612 0    372711 0      C-13-H3C(O)CH3
  411283.1437  0.0156 -5.7562 3   75.4765140  5951614041713 5 4    1610 6 4      C-13-H3C(O)CH3
  411297.8043  0.0026 -5.8029 3  140.1574376  5951614042315 9 1    2214 9 1      C-13-H3C(O)CH3
  411303.6592  0.0184 -4.2681 3  142.7954188  5951614042316 8 4    2215 7 4      C-13-H3C(O)CH3
  411304.2512  0.0590 -6.4883 3 1187.1108B44  595161404712349 1    712150 1      C-13-H3C(O)CH3
  411304.2512  0.0590 -5.3945 3 1187.1108B44  595161404712349 1    712250 1      C-13-H3C(O)CH3
  411304.2512  0.0590 -5.3945 3 1187.1108B44  595161404712249 1    712150 1      C-13-H3C(O)CH3
  411304.2512  0.0590 -6.4883 3 1187.1108B44  595161404712249 1    712250 1      C-13-H3C(O)CH3
  411309.3611  0.0626 -5.3747 3 1187.1115B44  595161404712349 2    712150 2      C-13-H3C(O)CH3
  411309.3611  0.0626 -5.3747 3 1187.1115B44  595161404712249 2    712250 2      C-13-H3C(O)CH3
  411313.2720  0.0152 -5.4710 3  557.1194436  59516140454 648 4    54 549 4      C-13-H3C(O)CH3
  411313.2720  0.0152 -5.0125 3  557.1194436  59516140454 648 4    54 649 4      C-13-H3C(O)CH3
  411313.2720  0.0152 -5.4710 3  557.1194436  59516140454 748 4    54 649 4      C-13-H3C(O)CH3
  411313.2720  0.0152 -5.0125 3  557.1194436  59516140454 748 4    54 549 4      C-13-H3C(O)CH3
  411313.7405  0.0148 -4.8835 3  557.1194436  59516140454 748 3    54 649 3      C-13-H3C(O)CH3
  411313.7405  0.0148 -4.8835 3  557.1194436  59516140454 648 3    54 549 3      C-13-H3C(O)CH3
  411319.3044  0.0106 -5.8263 3   59.7554248  5951614041513 3 1    1410 5 1      C-13-H3C(O)CH3
  411337.9013  0.3679 -6.5082 3 1027.8021492  595161404613724 3    613427 3      C-13-H3C(O)CH3
  411342.4122  0.0144 -4.9914 3  405.3273616  595161404382612 1    372710 1      C-13-H3C(O)CH3
  411342.8662  0.0025 -6.1055 3  140.1555376  5951614042315 9 2    2214 9 2      C-13-H3C(O)CH3
  411343.3166  0.0195 -5.4061 3  458.1412324  595161404402911 4    3930 9 4      C-13-H3C(O)CH3
  411350.5957  0.0485 -5.6619 3 1187.1264572  595161404712349 3    712150 3      C-13-H3C(O)CH3
  411350.5957  0.0485 -5.6619 3 1187.1264572  595161404712249 3    712250 3      C-13-H3C(O)CH3
  411350.7175  0.0486 -6.0228 3 1187.1264572  595161404712349 4    712250 4      C-13-H3C(O)CH3
  411350.7175  0.0486 -6.0228 3 1187.1264572  595161404712249 4    712150 4      C-13-H3C(O)CH3
  411350.7175  0.0486 -5.9101 3 1187.1264572  595161404712349 4    712150 4      C-13-H3C(O)CH3
  411350.7175  0.0486 -5.9101 3 1187.1264572  595161404712249 4    712250 4      C-13-H3C(O)CH3
  411358.6526  0.3598 -6.5084 3 1027.8021492  595161404613724 4    613427 4      C-13-H3C(O)CH3
  411366.3041  0.0062 -6.4702 3  150.4676408  595161404251015 0    25 718 0      C-13-H3C(O)CH3
  411367.6430  0.0062 -6.4702 3  150.4676408  595161404251115 0    25 818 0      C-13-H3C(O)CH3
  411371.3105  0.0175 -5.4057 3  458.1192324  595161404402911 3    393010 3      C-13-H3C(O)CH3
  411391.3297  0.0204 -5.7899 3  480.2770680  595161404422418 1    422121 1      C-13-H3C(O)CH3
  411395.4878  0.0194 -5.7904 3  480.2992680  595161404422418 0    422121 0      C-13-H3C(O)CH3
  411396.4473  0.0254 -5.8125 3  547.8660348  595161404433410 4    4235 8 4      C-13-H3C(O)CH3
  411409.3765  0.0145 -5.2081 3  405.3256308  595161404382612 4    372710 4      C-13-H3C(O)CH3
  411411.0279  0.0258 -5.8134 3  547.8868348  595161404433410 3    4235 8 3      C-13-H3C(O)CH3
  411415.6519  0.0164 -5.2681 3  405.3144308  595161404382612 3    372710 3      C-13-H3C(O)CH3
  411443.4731  0.0244 -6.3042 3  414.8979616  595161404382811 1    382513 1      C-13-H3C(O)CH3
  411488.3592  0.0171 -4.6247 3  557.1377872  59516140454 648 1    54 549 1      C-13-H3C(O)CH3
  411488.3592  0.0171 -5.6047 3  557.1377872  59516140454 748 1    54 549 1      C-13-H3C(O)CH3
  411488.3592  0.0171 -5.6047 3  557.1377872  59516140454 648 1    54 649 1      C-13-H3C(O)CH3
  411488.3592  0.0171 -4.6247 3  557.1377872  59516140454 748 1    54 649 1      C-13-H3C(O)CH3
  411488.6061  0.0166 -4.6071 3  557.1373872  59516140454 748 2    54 549 2      C-13-H3C(O)CH3
  411488.6061  0.0166 -5.8208 3  557.1373872  59516140454 648 2    54 549 2      C-13-H3C(O)CH3
  411488.6061  0.0166 -4.6071 3  557.1373872  59516140454 648 2    54 649 2      C-13-H3C(O)CH3
  411488.6061  0.0166 -5.8208 3  557.1373872  59516140454 748 2    54 649 2      C-13-H3C(O)CH3
  411537.3027  0.0140 -6.2929 3   59.7972124  5951614041513 3 3    1410 5 3      C-13-H3C(O)CH3
  411546.8254  0.0330 -5.7712 3  613.2389760  595161404473018 0    472721 0      C-13-H3C(O)CH3
  411555.7742  0.0102 -5.8430 3   59.7589248  5951614041513 3 2    1410 5 2      C-13-H3C(O)CH3
  411620.8428  0.0171 -4.9092 3  524.5218428  59516140453 548 4    53 549 4      C-13-H3C(O)CH3
  411620.8428  0.0171 -4.9092 3  524.5218428  59516140453 648 4    53 449 4      C-13-H3C(O)CH3
  411620.8428  0.0171 -6.2699 3  524.5218428  59516140453 548 4    53 449 4      C-13-H3C(O)CH3
  411620.8428  0.0171 -6.2699 3  524.5218428  59516140453 648 4    53 549 4      C-13-H3C(O)CH3
  411621.3018  0.0165 -6.0019 3  524.5218428  59516140453 648 3    53 549 3      C-13-H3C(O)CH3
  411621.3018  0.0165 -4.9256 3  524.5218428  59516140453 548 3    53 549 3      C-13-H3C(O)CH3
  411621.3018  0.0165 -6.0019 3  524.5218428  59516140453 548 3    53 449 3      C-13-H3C(O)CH3
  411621.3018  0.0165 -4.9256 3  524.5218428  59516140453 648 3    53 449 3      C-13-H3C(O)CH3
  411658.7852  0.0143 -5.3161 3   84.1530148  5951614041813 6 4    1710 7 4      C-13-H3C(O)CH3
  411662.9752  0.0130 -4.5812 3  557.1556872  59516140454 748 0    54 549 0      C-13-H3C(O)CH3
  411662.9752  0.0130 -4.5812 3  557.1556872  59516140454 648 0    54 649 0      C-13-H3C(O)CH3
  411666.6647  0.0166 -4.7660 3  356.4659584  595161404362314 2    352411 2      C-13-H3C(O)CH3
  411675.5880  0.0300 -6.3922 3  414.9022616  595161404382811 2    382513 2      C-13-H3C(O)CH3
  411676.4255  0.0394 -5.9826 3  405.3057308  595161404382612 3    372711 3      C-13-H3C(O)CH3
  411678.6518  0.0217 -5.5769 3  405.3161616  595161404382612 1    372711 1      C-13-H3C(O)CH3
  411681.5858  0.0227 -6.2154 3  646.1082396  595161404492623 3    482920 3      C-13-H3C(O)CH3
  411687.1692  0.0569 -6.2246 3  545.6417712  595161404443014 2    442718 2      C-13-H3C(O)CH3
  411702.1898  0.0225 -6.2154 3  646.1075396  595161404492623 4    482920 4      C-13-H3C(O)CH3
  411718.6514  0.0140 -6.3454 3   59.7972124  5951614041513 2 3    1410 5 3      C-13-H3C(O)CH3
  411768.0442  0.0285 -5.9157 3  646.1184792  595161404492623 1    482920 1      C-13-H3C(O)CH3
  411769.5077  0.0259 -5.9144 3  646.1158792  595161404492623 2    482920 2      C-13-H3C(O)CH3
  411783.2629  0.0202 -5.0672 3  356.4407292  595161404362314 4    352411 4      C-13-H3C(O)CH3
  411792.6685  0.0177 -5.0636 3  356.4408292  595161404362314 3    352411 3      C-13-H3C(O)CH3
  411810.9341  0.0342 -6.6442 3  414.8815308  595161404382811 3    382513 3      C-13-H3C(O)CH3
  411825.0993  0.0223 -5.9502 3  414.9168616  595161404382810 0    382513 0      C-13-H3C(O)CH3
  411835.6146  0.0365 -6.0611 3  405.3261616  595161404382612 2    372711 2      C-13-H3C(O)CH3
  411841.5895  0.2821 -6.2099 3 1027.7956984  595161404613724 1    613427 1      C-13-H3C(O)CH3
  411843.7837  0.0278 -5.9157 3  646.1264792  595161404492623 0    482920 0      C-13-H3C(O)CH3
  411850.8614  0.0301 -5.7728 3  613.2259760  595161404473018 1    472721 1      C-13-H3C(O)CH3
  411863.0901  0.3688 -6.2103 3 1027.7981984  595161404613724 2    613427 2      C-13-H3C(O)CH3
  411877.3521  0.0170 -6.0014 3  524.5306856  59516140453 648 1    53 449 1      C-13-H3C(O)CH3
  411877.3521  0.0170 -6.0014 3  524.5306856  59516140453 548 1    53 549 1      C-13-H3C(O)CH3
  411877.6037  0.0170 -4.6062 3  524.5306856 -59516140453 648 1    53 549 1      C-13-H3C(O)CH3
  411877.6037  0.0158 -4.6359 3  524.5302856 -59516140453 648 2    53 549 2      C-13-H3C(O)CH3
  411877.6037  0.0158 -4.6359 3  524.5302856 -59516140453 548 2    53 449 2      C-13-H3C(O)CH3
  411877.6037  0.0170 -4.6062 3  524.5306856 -59516140453 548 1    53 449 1      C-13-H3C(O)CH3
  411877.6717  0.0158 -5.5782 3  524.5302856  59516140453 648 2    53 449 2      C-13-H3C(O)CH3
  411877.6717  0.0158 -5.5782 3  524.5302856  59516140453 548 2    53 549 2      C-13-H3C(O)CH3
  411892.6843  0.0085 -4.7055 3  356.4802584  595161404362314 0    352411 0      C-13-H3C(O)CH3
  411895.3161  0.0090 -5.9140 3  287.0480536  595161404331716 2    331419 2      C-13-H3C(O)CH3
  411902.8403  0.0209 -5.5946 3  492.5165420  59516140452 448 4    52 449 4      C-13-H3C(O)CH3
  411902.8403  0.0209 -5.0199 3  492.5165420  59516140452 548 4    52 449 4      C-13-H3C(O)CH3
  411902.8403  0.0209 -5.0199 3  492.5165420  59516140452 448 4    52 349 4      C-13-H3C(O)CH3
  411902.8403  0.0209 -5.5946 3  492.5165420  59516140452 548 4    52 349 4      C-13-H3C(O)CH3
  411903.1946  0.0202 -4.9635 3  492.5164420  59516140452 548 3    52 349 3      C-13-H3C(O)CH3
  411903.1946  0.0202 -5.9136 3  492.5164420  59516140452 548 3    52 449 3      C-13-H3C(O)CH3
  411903.1946  0.0202 -4.9635 3  492.5164420  59516140452 448 3    52 449 3      C-13-H3C(O)CH3
  411903.1946  0.0202 -5.9136 3  492.5164420  59516140452 448 3    52 349 3      C-13-H3C(O)CH3
  411909.2144  0.0245 -6.2022 3  414.8979616  595161404382810 1    382513 1      C-13-H3C(O)CH3
  411920.7858  0.0097 -6.2154 3  287.0267268  595161404331716 3    331419 3      C-13-H3C(O)CH3
  411921.9095  0.0100 -6.2154 3  287.0267268  595161404331716 4    331419 4      C-13-H3C(O)CH3
  411933.2392  0.0252 -6.1125 3  477.8734664  595161404412913 1    412616 1      C-13-H3C(O)CH3
  411954.5115  0.1071 -6.4509 3 1629.9926652  595161404813150 4    813151 4      C-13-H3C(O)CH3
  411954.5115  0.1071 -6.4509 3 1629.9926652  595161404813250 4    813051 4      C-13-H3C(O)CH3
  411954.5630  0.1072 -6.5187 3 1629.9926652  595161404813250 3    813051 3      C-13-H3C(O)CH3
  411954.5630  0.1072 -6.5187 3 1629.9926652  595161404813150 3    813151 3      C-13-H3C(O)CH3
  411958.9765  0.0080 -5.9130 3  287.0721536  595161404331716 0    331419 0      C-13-H3C(O)CH3
  411963.6450  0.0500 -5.3886 3 1144.5770B28  595161404702149 0    702050 0      C-13-H3C(O)CH3
  411963.6450  0.0500 -5.9814 3 1144.5770B28  595161404702249 0    702050 0      C-13-H3C(O)CH3
  411963.6450  0.0500 -5.3886 3 1144.5770B28  595161404702249 0    702150 0      C-13-H3C(O)CH3
  411963.6450  0.0500 -5.9814 3 1144.5770B28  595161404702149 0    702150 0      C-13-H3C(O)CH3
  411964.5237  0.0343 -6.3964 3  477.8557332  595161404412913 4    412616 4      C-13-H3C(O)CH3
  411984.3305  0.0090 -5.9136 3  287.0508536  595161404331716 1    331419 1      C-13-H3C(O)CH3
  411993.3475  0.1274 -6.1422 3 1629.9756D04  595161404813250 1    813051 1      C-13-H3C(O)CH3
  411993.3475  0.1274 -6.1422 3 1629.9756D04  595161404813150 1    813151 1      C-13-H3C(O)CH3
  411994.0689  0.0336 -5.7750 3  613.2224760  595161404473018 2    472721 2      C-13-H3C(O)CH3
  411994.5068  0.1202 -6.1893 3 1629.9788D04  595161404813150 2    813151 2      C-13-H3C(O)CH3
  411994.5068  0.1202 -6.1893 3 1629.9788D04  595161404813250 2    813051 2      C-13-H3C(O)CH3
  412006.3083  0.0329 -6.4762 3  414.8815308  595161404382810 3    382513 3      C-13-H3C(O)CH3
  412009.2400  0.0089 -4.7054 3  356.4553584  595161404362314 1    352411 1      C-13-H3C(O)CH3
  412017.4907  0.0575 -5.8197 3 1144.5891B28  595161404702149 1    702150 1      C-13-H3C(O)CH3
  412017.4907  0.0575 -5.4415 3 1144.5891B28  595161404702249 1    702150 1      C-13-H3C(O)CH3
  412017.4907  0.0575 -5.4415 3 1144.5891B28  595161404702149 1    702050 1      C-13-H3C(O)CH3
  412017.4907  0.0575 -5.8197 3 1144.5891B28  595161404702249 1    702050 1      C-13-H3C(O)CH3
  412022.1698  0.0605 -5.4771 3 1144.5896B28  595161404702149 2    702150 2      C-13-H3C(O)CH3
  412022.1698  0.0605 -5.7449 3 1144.5896B28  595161404702249 2    702150 2      C-13-H3C(O)CH3
  412022.1698  0.0605 -5.7449 3 1144.5896B28  595161404702149 2    702050 2      C-13-H3C(O)CH3
  412022.1698  0.0605 -5.4771 3 1144.5896B28  595161404702249 2    702050 2      C-13-H3C(O)CH3
  412033.2713  0.1330 -6.5133 3 1629.9618D04  595161404813250 0    813051 0      C-13-H3C(O)CH3
  412033.2713  0.1330 -6.3811 3 1629.9618D04  595161404813150 0    813051 0      C-13-H3C(O)CH3
  412033.2713  0.1330 -6.3811 3 1629.9618D04  595161404813250 0    813151 0      C-13-H3C(O)CH3
  412033.2713  0.1330 -6.5133 3 1629.9618D04  595161404813150 0    813151 0      C-13-H3C(O)CH3
  412076.1108  0.0456 -5.6753 3 1144.6017564  595161404702249 3    702150 3      C-13-H3C(O)CH3
  412076.1108  0.0456 -6.3418 3 1144.6017564  595161404702149 3    702150 3      C-13-H3C(O)CH3
  412076.1108  0.0456 -6.3418 3 1144.6017564  595161404702249 3    702050 3      C-13-H3C(O)CH3
  412076.1108  0.0456 -5.6753 3 1144.6017564  595161404702149 3    702050 3      C-13-H3C(O)CH3
  412076.2533  0.0457 -5.6700 3 1144.6017564  595161404702249 4    702150 4      C-13-H3C(O)CH3
  412076.2533  0.0457 -5.6700 3 1144.6017564  595161404702149 4    702050 4      C-13-H3C(O)CH3
  412076.2533  0.0457 -6.3676 3 1144.6017564  595161404702249 4    702050 4      C-13-H3C(O)CH3
  412076.2533  0.0457 -6.3676 3 1144.6017564  595161404702149 4    702150 4      C-13-H3C(O)CH3
  412133.3206  0.0136 -4.6728 3  524.5391856  59516140453 648 0    53 549 0      C-13-H3C(O)CH3
  412133.3206  0.0136 -5.3411 3  524.5391856  59516140453 548 0    53 549 0      C-13-H3C(O)CH3
  412133.3206  0.0136 -4.6728 3  524.5391856  59516140453 548 0    53 449 0      C-13-H3C(O)CH3
  412133.3206  0.0136 -5.3411 3  524.5391856  59516140453 648 0    53 449 0      C-13-H3C(O)CH3
  412159.2554  0.0270 -6.2070 3  461.1044412  59516140451 448 4    51 349 4      C-13-H3C(O)CH3
  412159.2554  0.0270 -4.9994 3  461.1044412  59516140451 348 4    51 349 4      C-13-H3C(O)CH3
  412159.2554  0.0270 -4.9994 3  461.1044412  59516140451 448 4    51 249 4      C-13-H3C(O)CH3
  412159.2554  0.0270 -6.2070 3  461.1044412  59516140451 348 4    51 249 4      C-13-H3C(O)CH3
  412159.3627  0.0261 -6.0364 3  461.1043412  59516140451 348 3    51 249 3      C-13-H3C(O)CH3
  412159.3627  0.0261 -6.0364 3  461.1043412  59516140451 448 3    51 349 3      C-13-H3C(O)CH3
  412159.3627  0.0261 -5.0125 3  461.1043412  59516140451 448 3    51 249 3      C-13-H3C(O)CH3
  412159.3627  0.0261 -5.0125 3  461.1043412  59516140451 348 3    51 349 3      C-13-H3C(O)CH3
  412167.1768  0.0234 -5.8542 3  477.8894664  595161404412913 0    412616 0      C-13-H3C(O)CH3
  412190.9841  0.0303 -6.1060 3  477.8729664  595161404412913 2    412616 2      C-13-H3C(O)CH3
  412197.0575  0.0247 -6.0820 3  613.2094380  595161404473018 4    472721 4      C-13-H3C(O)CH3
  412246.9926  0.0025 -3.6716 3  279.8492308  59516140438 633 4    37 532 4      C-13-H3C(O)CH3
  412246.9926  0.0025 -3.6716 3  279.8492308  59516140438 533 4    37 632 4      C-13-H3C(O)CH3
  412247.0002  0.0025 -5.1794 3  279.8492308 -59516140438 633 4    37 632 4      C-13-H3C(O)CH3
  412247.0002  0.0024 -3.9378 3  279.8491308 -59516140438 533 3    37 632 3      C-13-H3C(O)CH3
  412247.0002  0.0025 -5.1794 3  279.8492308 -59516140438 533 4    37 532 4      C-13-H3C(O)CH3
  412247.0002  0.0024 -3.9820 3  279.8491308 -59516140438 633 3    37 632 3      C-13-H3C(O)CH3
  412247.0205  0.0024 -3.9378 3  279.8491308  59516140438 633 3    37 532 3      C-13-H3C(O)CH3
  412247.0205  0.0024 -3.9820 3  279.8491308  59516140438 533 3    37 532 3      C-13-H3C(O)CH3
  412254.6447  0.0203 -4.9207 3  492.5125840  59516140452 548 1    52 449 1      C-13-H3C(O)CH3
  412254.6447  0.0203 -4.9123 3  492.5125840  59516140452 548 1    52 349 1      C-13-H3C(O)CH3
  412254.6447  0.0203 -4.9123 3  492.5125840  59516140452 448 1    52 449 1      C-13-H3C(O)CH3
  412254.6447  0.0203 -4.9207 3  492.5125840  59516140452 448 1    52 349 1      C-13-H3C(O)CH3
  412254.9076  0.0182 -5.2396 3  492.5121840  59516140452 548 2    52 349 2      C-13-H3C(O)CH3
  412254.9076  0.0182 -5.2396 3  492.5121840  59516140452 448 2    52 449 2      C-13-H3C(O)CH3
  412254.9076  0.0182 -4.7331 3  492.5121840  59516140452 448 2    52 349 2      C-13-H3C(O)CH3
  412254.9076  0.0182 -4.7331 3  492.5121840  59516140452 548 2    52 449 2      C-13-H3C(O)CH3
  412255.1493  0.0097 -3.7722 3  142.7847376 -5951614042316 8 1    2215 7 1      C-13-H3C(O)CH3
  412280.0698  0.0161 -5.7996 3  389.2778616  595161404382117 2    381820 2      C-13-H3C(O)CH3
  412289.5055  0.0029 -3.4307 3  279.8476616 -59516140438 533 1    37 532 1      C-13-H3C(O)CH3
  412289.5055  0.0029 -3.4307 3  279.8476616 -59516140438 633 1    37 632 1      C-13-H3C(O)CH3
  412289.6454  0.0029 -4.1647 3  279.8476616  59516140438 633 1    37 532 1      C-13-H3C(O)CH3
  412289.6454  0.0029 -4.1647 3  279.8476616  59516140438 533 1    37 632 1      C-13-H3C(O)CH3
  412290.0611  0.0029 -3.3694 3  279.8471616  59516140438 533 2    37 632 2      C-13-H3C(O)CH3
  412290.0611  0.0029 -4.9145 3  279.8471616  59516140438 633 2    37 632 2      C-13-H3C(O)CH3
  412290.0699  0.0029 -4.9145 3  279.8471616 -59516140438 533 2    37 532 2      C-13-H3C(O)CH3
  412290.0699  0.0029 -3.3694 3  279.8471616 -59516140438 633 2    37 532 2      C-13-H3C(O)CH3
  412332.5988  0.0024 -3.4222 3  279.8455616  59516140438 633 0    37 632 0      C-13-H3C(O)CH3
  412332.5988  0.0024 -3.4222 3  279.8455616  59516140438 533 0    37 532 0      C-13-H3C(O)CH3
  412332.6333  0.0024 -4.2136 3  279.8455616 -59516140438 633 0    37 532 0      C-13-H3C(O)CH3
  412332.6333  0.0024 -4.2136 3  279.8455616 -59516140438 533 0    37 632 0      C-13-H3C(O)CH3
  412337.4452  0.0289 -6.1459 3  414.9022616  595161404382810 2    382513 2      C-13-H3C(O)CH3
  412343.4722  0.0130 -5.8012 3   67.3238264  5951614041613 4 1    1510 5 1      C-13-H3C(O)CH3
  412344.6265  0.0427 -6.6310 3  405.2944308  595161404382612 4    372711 4      C-13-H3C(O)CH3
  412365.3276  0.0181 -6.1003 3  389.2526308  595161404382117 3    381820 3      C-13-H3C(O)CH3
  412365.5276  0.0121 -5.7994 3  389.3065616  595161404382117 0    381820 0      C-13-H3C(O)CH3
  412368.3757  0.2865 -6.2129 3 1027.7916984  595161404613724 0    613427 0      C-13-H3C(O)CH3
  412369.4921  0.0175 -6.1003 3  389.2526308  595161404382117 4    381820 4      C-13-H3C(O)CH3
  412380.3468  0.0311 -6.4168 3  414.8846308  595161404382810 4    382513 4      C-13-H3C(O)CH3
  412389.7711  0.0345 -5.0815 3  430.2865404  59516140450 248 3    50 149 3      C-13-H3C(O)CH3
  412389.7711  0.0345 -5.0815 3  430.2865404  59516140450 348 3    50 249 3      C-13-H3C(O)CH3
  412390.1143  0.0353 -5.3642 3  430.2865404  59516140450 248 4    50 149 4      C-13-H3C(O)CH3
  412390.1143  0.0353 -5.7730 3  430.2865404  59516140450 348 4    50 249 4      C-13-H3C(O)CH3
  412390.1143  0.0353 -5.4017 3  430.2865404  59516140450 348 4    50 149 4      C-13-H3C(O)CH3
  412390.1143  0.0353 -5.1803 3  430.2865404  59516140450 248 4    50 249 4      C-13-H3C(O)CH3
  412399.9295  0.0328 -6.0732 3  613.2095380  595161404473018 3    472721 3      C-13-H3C(O)CH3
  412450.9197  0.0140 -5.7993 3  389.2813616  595161404382117 1    381820 1      C-13-H3C(O)CH3
  412452.1274  0.0670 -6.4907 3  545.6277356  595161404443014 4    442718 4      C-13-H3C(O)CH3
  412472.9182  0.0050 -5.1270 3   58.3144140  59516140417 512 3    16 413 3      C-13-H3C(O)CH3
  412473.0578  0.0050 -5.1270 3   58.3144140  59516140417 612 3    16 313 3      C-13-H3C(O)CH3
  412473.1895  0.0065 -5.1270 3   58.3144140  59516140417 512 4    16 413 4      C-13-H3C(O)CH3
  412473.3273  0.0065 -5.1270 3   58.3144140  59516140417 612 4    16 313 4      C-13-H3C(O)CH3
  412489.4552  0.0122 -5.5885 3  356.4385584  595161404362314 2    352412 2      C-13-H3C(O)CH3
  412516.5209  0.0089 -5.9130 3  287.0480536  595161404331816 2    331519 2      C-13-H3C(O)CH3
  412522.3047  0.0057 -3.9279 3  142.7797188  5951614042316 8 3    2215 7 3      C-13-H3C(O)CH3
  412536.4695  0.0097 -6.2144 3  287.0267268  595161404331816 4    331519 4      C-13-H3C(O)CH3
  412536.4700  0.0092 -6.2144 3  287.0267268  595161404331816 3    331519 3      C-13-H3C(O)CH3
  412560.5825  0.0083 -3.7109 3  142.7819376 -5951614042316 8 2    2215 7 2      C-13-H3C(O)CH3
  412568.2999  0.0080 -5.9120 3  287.0721536  595161404331816 0    331519 0      C-13-H3C(O)CH3
  412588.0507  0.0088 -5.9126 3  287.0508536  595161404331816 1    331519 1      C-13-H3C(O)CH3
  412594.4190  0.0458 -5.3162 3  400.0640396  59516140449 148 3    49 149 3      C-13-H3C(O)CH3
  412594.4190  0.0458 -5.3162 3  400.0640396  59516140449 248 3    49 049 3      C-13-H3C(O)CH3
  412595.4930  0.0465 -5.3208 3  400.0640396  59516140449 248 4    49 049 4      C-13-H3C(O)CH3
  412595.4930  0.0465 -5.3208 3  400.0640396  59516140449 148 4    49 149 4      C-13-H3C(O)CH3
  412602.2396  0.0376 -6.3912 3  477.8578332  595161404412913 3    412616 3      C-13-H3C(O)CH3
  412605.7477  0.0166 -4.6301 3  492.5082840  59516140452 448 0    52 349 0      C-13-H3C(O)CH3
  412605.7477  0.0166 -6.0662 3  492.5082840  59516140452 448 0    52 449 0      C-13-H3C(O)CH3
  412605.7477  0.0166 -6.0662 3  492.5082840  59516140452 548 0    52 349 0      C-13-H3C(O)CH3
  412605.7477  0.0166 -4.6301 3  492.5082840  59516140452 548 0    52 449 0      C-13-H3C(O)CH3
  412609.5645  0.0138 -5.8881 3  356.4132292  595161404362314 4    352412 4      C-13-H3C(O)CH3
  412617.1438  0.0155 -5.9131 3  356.4133292  595161404362314 3    352412 3      C-13-H3C(O)CH3
  412621.2056  0.0292 -6.4028 3  461.0840824  59516140451 448 1    51 349 1      C-13-H3C(O)CH3
  412621.2056  0.0292 -4.6792 3  461.0840824  59516140451 348 1    51 349 1      C-13-H3C(O)CH3
  412621.2056  0.0292 -6.4028 3  461.0840824  59516140451 348 1    51 249 1      C-13-H3C(O)CH3
  412621.2056  0.0292 -4.6792 3  461.0840824  59516140451 448 1    51 249 1      C-13-H3C(O)CH3
  412621.2070  0.0265 -6.0465 3  461.0836824  59516140451 348 2    51 249 2      C-13-H3C(O)CH3
  412621.2070  0.0265 -4.6896 3  461.0836824  59516140451 348 2    51 349 2      C-13-H3C(O)CH3
  412621.2070  0.0265 -4.6896 3  461.0836824  59516140451 448 2    51 249 2      C-13-H3C(O)CH3
  412621.2070  0.0265 -6.0465 3  461.0836824  59516140451 448 2    51 349 2      C-13-H3C(O)CH3
  412632.7226  0.0297 -6.2020 3  477.8734664  595161404412912 1    412616 1      C-13-H3C(O)CH3
  412636.0976  0.0473 -5.3296 3 1102.6339B12  595161404692149 0    691950 0      C-13-H3C(O)CH3
  412636.0976  0.0473 -5.8752 3 1102.6339B12  595161404692149 0    692050 0      C-13-H3C(O)CH3
  412636.0976  0.0473 -5.8752 3 1102.6339B12  595161404692049 0    691950 0      C-13-H3C(O)CH3
  412636.0976  0.0473 -5.3296 3 1102.6339B12  595161404692049 0    692050 0      C-13-H3C(O)CH3
  412702.3820  0.0553 -5.5131 3 1102.6426B12  595161404692149 1    692050 1      C-13-H3C(O)CH3
  412702.3820  0.0553 -5.5131 3 1102.6426B12  595161404692049 1    691950 1      C-13-H3C(O)CH3
  412702.3820  0.0553 -5.5305 3 1102.6426B12  595161404692049 1    692050 1      C-13-H3C(O)CH3
  412702.3820  0.0553 -5.5305 3 1102.6426B12  595161404692149 1    691950 1      C-13-H3C(O)CH3
  412706.5325  0.0576 -5.3059 3 1102.6430B12  595161404692149 2    691950 2      C-13-H3C(O)CH3
  412706.5325  0.0576 -5.9699 3 1102.6430B12  595161404692149 2    692050 2      C-13-H3C(O)CH3
  412706.5325  0.0576 -5.9699 3 1102.6430B12  595161404692049 2    691950 2      C-13-H3C(O)CH3
  412706.5325  0.0576 -5.3059 3 1102.6430B12  595161404692049 2    692050 2      C-13-H3C(O)CH3
  412772.9215  0.0429 -5.8156 3 1102.6517556  595161404692049 3    691950 3      C-13-H3C(O)CH3
  412772.9215  0.0429 -5.8296 3 1102.6517556  595161404692049 3    692050 3      C-13-H3C(O)CH3
  412772.9215  0.0429 -5.8156 3 1102.6517556  595161404692149 3    692050 3      C-13-H3C(O)CH3
  412772.9215  0.0429 -5.8296 3 1102.6517556  595161404692149 3    691950 3      C-13-H3C(O)CH3
  412773.0826  0.0430 -5.5779 3 1102.6517556  595161404692049 4    691950 4      C-13-H3C(O)CH3
  412773.0826  0.0430 -6.4360 3 1102.6517556  595161404692049 4    692050 4      C-13-H3C(O)CH3
  412773.0826  0.0430 -6.4360 3 1102.6517556  595161404692149 4    691950 4      C-13-H3C(O)CH3
  412773.0826  0.0430 -5.5779 3 1102.6517556  595161404692149 4    692050 4      C-13-H3C(O)CH3
  412784.6529  0.0131 -5.7900 3   67.3199264  5951614041613 4 2    1510 5 2      C-13-H3C(O)CH3
  412797.5088  0.0153 -5.9731 3   67.3553132  5951614041613 4 3    1510 5 3      C-13-H3C(O)CH3
  412827.0134  0.0059 -4.8247 3   58.2635280  59516140417 512 2    16 413 2      C-13-H3C(O)CH3
  412827.1595  0.0059 -4.8247 3   58.2635280  59516140417 612 2    16 313 2      C-13-H3C(O)CH3
  412837.9628  0.0058 -4.8249 3   58.2641280  59516140417 512 1    16 413 1      C-13-H3C(O)CH3
  412838.1029  0.0058 -4.8249 3   58.2641280  59516140417 612 1    16 313 1      C-13-H3C(O)CH3
  412866.2760  0.0125 -5.4200 3   75.4427280  5951614041713 5 1    1610 6 1      C-13-H3C(O)CH3
  412928.5230  0.0437 -6.5356 3  477.8578332  595161404412912 3    412616 3      C-13-H3C(O)CH3
  412957.8780  0.0108 -4.9548 3   84.1232296  5951614041813 6 1    1710 7 1      C-13-H3C(O)CH3
  412967.6661  0.0963 -6.6637 3 1581.7498644  595161404803150 4    803051 4      C-13-H3C(O)CH3
  412967.6661  0.0963 -6.6453 3 1581.7498644  595161404803050 4    803051 4      C-13-H3C(O)CH3
  412967.6661  0.0963 -6.6637 3 1581.7498644  595161404803050 4    802951 4      C-13-H3C(O)CH3
  412967.6661  0.0963 -6.6453 3 1581.7498644  595161404803150 4    802951 4      C-13-H3C(O)CH3
  412967.7053  0.0964 -6.3635 3 1581.7498644  595161404803150 3    803051 3      C-13-H3C(O)CH3
  412967.7053  0.0964 -6.3635 3 1581.7498644  595161404803050 3    802951 3      C-13-H3C(O)CH3
  412977.4245  0.0413 -4.8010 3  430.2452808  59516140450 248 2    50 249 2      C-13-H3C(O)CH3
  412977.4245  0.0413 -6.0794 3  430.2452808  59516140450 248 2    50 149 2      C-13-H3C(O)CH3
  412977.4245  0.0413 -4.8010 3  430.2452808  59516140450 348 2    50 149 2      C-13-H3C(O)CH3
  412977.4245  0.0413 -6.0794 3  430.2452808  59516140450 348 2    50 249 2      C-13-H3C(O)CH3
  412977.9745  0.0442 -4.8700 3  430.2456808  59516140450 348 1    50 149 1      C-13-H3C(O)CH3
  412977.9745  0.0442 -5.5018 3  430.2456808  59516140450 348 1    50 249 1      C-13-H3C(O)CH3
  412977.9745  0.0442 -5.5018 3  430.2456808  59516140450 248 1    50 149 1      C-13-H3C(O)CH3
  412977.9745  0.0442 -4.8700 3  430.2456808  59516140450 248 1    50 249 1      C-13-H3C(O)CH3
  413001.8689  0.1093 -6.0965 3 1581.7309C88  595161404803150 1    803051 1      C-13-H3C(O)CH3
  413001.8689  0.1093 -6.0965 3 1581.7309C88  595161404803050 1    802951 1      C-13-H3C(O)CH3
  413004.2511  0.1053 -6.0549 3 1581.7340C88  595161404803150 2    803051 2      C-13-H3C(O)CH3
  413004.2511  0.1053 -6.0549 3 1581.7340C88  595161404803050 2    802951 2      C-13-H3C(O)CH3
  413020.5585  0.0085 -5.1364 3   84.1516148  5951614041813 6 3    1710 7 3      C-13-H3C(O)CH3
  413021.2702  0.0030 -3.6104 3  142.7783376 -5951614042316 8 0    2215 7 0      C-13-H3C(O)CH3
  413036.1153  0.0141 -6.1001 3   67.3553132  5951614041613 3 3    1510 5 3      C-13-H3C(O)CH3
  413038.4065  0.1151 -6.4448 3 1581.7152C88  595161404803050 0    802951 0      C-13-H3C(O)CH3
  413038.4065  0.1151 -6.4448 3 1581.7152C88  595161404803150 0    803051 0      C-13-H3C(O)CH3
  413038.4065  0.1151 -6.2774 3 1581.7152C88  595161404803050 0    803051 0      C-13-H3C(O)CH3
  413038.4065  0.1151 -6.2774 3 1581.7152C88  595161404803150 0    802951 0      C-13-H3C(O)CH3
  413070.4677  0.0088 -5.7202 3   59.7338248  5951614041513 2 0    1410 5 0      C-13-H3C(O)CH3
  413082.1534  0.0242 -6.4272 3  461.0632824  59516140451 348 0    51 249 0      C-13-H3C(O)CH3
  413082.1534  0.0242 -4.6774 3  461.0632824  59516140451 448 0    51 249 0      C-13-H3C(O)CH3
  413082.1534  0.0242 -6.4272 3  461.0632824  59516140451 448 0    51 349 0      C-13-H3C(O)CH3
  413082.1534  0.0242 -4.6774 3  461.0632824  59516140451 348 0    51 349 0      C-13-H3C(O)CH3
  413185.3296  0.0130 -5.5299 3   75.4745140  5951614041713 5 3    1610 6 3      C-13-H3C(O)CH3
  413191.2551  0.0058 -4.8235 3   58.2133280  59516140417 512 0    16 413 0      C-13-H3C(O)CH3
  413191.4025  0.0058 -4.8235 3   58.2133280  59516140417 612 0    16 313 0      C-13-H3C(O)CH3
  413214.7287  0.0419 -6.2144 3  477.8729664  595161404412912 2    412616 2      C-13-H3C(O)CH3
  413271.0860  0.0069 -6.6116 3  135.4085392  59516140424 915 2    24 618 2      C-13-H3C(O)CH3
  413271.4472  0.0069 -6.6116 3  135.4085392  595161404241015 2    24 718 2      C-13-H3C(O)CH3
  413282.0901  0.0442 -5.3080 3 1061.2676A96  595161404682049 0    681950 0      C-13-H3C(O)CH3
  413282.0901  0.0442 -5.6794 3 1061.2676A96  595161404681949 0    681950 0      C-13-H3C(O)CH3
  413282.0901  0.0442 -5.3080 3 1061.2676A96  595161404681949 0    681850 0      C-13-H3C(O)CH3
  413282.0901  0.0442 -5.6794 3 1061.2676A96  595161404682049 0    681850 0      C-13-H3C(O)CH3
  413300.2973  0.0069 -6.6111 3  135.4094392  59516140424 915 1    24 618 1      C-13-H3C(O)CH3
  413300.6416  0.0069 -6.6111 3  135.4094392  595161404241015 1    24 718 1      C-13-H3C(O)CH3
  413312.2417  0.0204 -6.5887 3  302.8258260  5951614043226 7 3    3223 9 3      C-13-H3C(O)CH3
  413317.4971  0.0031 -4.0612 3  219.7704236  595161404291514 3    281613 3      C-13-H3C(O)CH3
  413321.0528  0.0026 -4.0612 3  219.7704236  595161404291514 4    281613 4      C-13-H3C(O)CH3
  413324.3727  0.0625 -6.2965 3  399.9977792  59516140449 148 2    49 149 2      C-13-H3C(O)CH3
  413324.3727  0.0625 -5.0358 3  399.9977792  59516140449 248 2    49 149 2      C-13-H3C(O)CH3
  413324.3727  0.0625 -6.2965 3  399.9977792  59516140449 248 2    49 049 2      C-13-H3C(O)CH3
  413324.3727  0.0625 -5.0358 3  399.9977792  59516140449 148 2    49 049 2      C-13-H3C(O)CH3
  413325.8579  0.0655 -5.0176 3  399.9980792  59516140449 148 1    49 049 1      C-13-H3C(O)CH3
  413325.8579  0.0655 -5.0176 3  399.9980792  59516140449 248 1    49 149 1      C-13-H3C(O)CH3
  413337.7363  0.0024 -4.6276 3  284.1141316 -59516140439 535 4    38 434 4      C-13-H3C(O)CH3
  413337.7363  0.0024 -3.7758 3  284.1141316 -59516140439 535 3    38 434 3      C-13-H3C(O)CH3
  413337.7363  0.0024 -4.6276 3  284.1141316 -59516140439 435 4    38 534 4      C-13-H3C(O)CH3
  413337.7363  0.0024 -3.9297 3  284.1141316 -59516140439 435 3    38 434 3      C-13-H3C(O)CH3
  413337.7485  0.0024 -3.6822 3  284.1141316  59516140439 535 4    38 534 4      C-13-H3C(O)CH3
  413337.7485  0.0024 -3.6822 3  284.1141316  59516140439 435 4    38 434 4      C-13-H3C(O)CH3
  413337.7606  0.0024 -4.1945 3  284.1141316  59516140439 535 3    38 534 3      C-13-H3C(O)CH3
  413337.7606  0.0024 -3.9435 3  284.1141316  59516140439 435 3    38 534 3      C-13-H3C(O)CH3
  413350.9224  0.0419 -6.4855 3  724.5201776  5951614044843 5 1    4744 3 1      C-13-H3C(O)CH3
  413360.0611  0.0126 -5.4133 3   75.4361280  5951614041713 5 2    1610 6 2      C-13-H3C(O)CH3
  413360.0864  0.0522 -5.1698 3 1061.2725A96  595161404682049 1    681850 1      C-13-H3C(O)CH3
  413360.0864  0.0522 -6.5974 3 1061.2725A96  595161404681949 1    681850 1      C-13-H3C(O)CH3
  413360.0864  0.0522 -5.1698 3 1061.2725A96  595161404681949 1    681950 1      C-13-H3C(O)CH3
  413360.0864  0.0522 -6.5974 3 1061.2725A96  595161404682049 1    681950 1      C-13-H3C(O)CH3
  413363.6410  0.0539 -6.1291 3 1061.2727A96  595161404681949 2    681850 2      C-13-H3C(O)CH3
  413363.6410  0.0539 -5.2025 3 1061.2727A96  595161404681949 2    681950 2      C-13-H3C(O)CH3
  413363.6410  0.0539 -5.2025 3 1061.2727A96  595161404682049 2    681850 2      C-13-H3C(O)CH3
  413363.6410  0.0539 -6.1291 3 1061.2727A96  595161404682049 2    681950 2      C-13-H3C(O)CH3
  413376.3569  0.0028 -3.7609 3  219.7807472 -595161404291514 2    281613 2      C-13-H3C(O)CH3
  413377.7930  0.0029 -3.3350 3  284.1052632  59516140439 535 1    38 534 1      C-13-H3C(O)CH3
  413377.7930  0.0029 -6.1933 3  284.1052632  59516140439 435 1    38 534 1      C-13-H3C(O)CH3
  413377.9406  0.0029 -3.3350 3  284.1052632 -59516140439 435 1    38 434 1      C-13-H3C(O)CH3
  413377.9406  0.0029 -3.3627 3  284.1047632 -59516140439 435 2    38 534 2      C-13-H3C(O)CH3
  413377.9406  0.0029 -4.5352 3  284.1047632 -59516140439 535 2    38 534 2      C-13-H3C(O)CH3
  413377.9406  0.0029 -6.1933 3  284.1052632 -59516140439 535 1    38 434 1      C-13-H3C(O)CH3
  413378.0566  0.0029 -3.3627 3  284.1047632  59516140439 535 2    38 434 2      C-13-H3C(O)CH3
  413378.0566  0.0029 -4.5352 3  284.1047632  59516140439 435 2    38 434 2      C-13-H3C(O)CH3
  413388.3791  0.4034 -6.6264 3 1132.1603516  595161404643925 3    643628 3      C-13-H3C(O)CH3
  413400.9818  0.0028 -3.7602 3  219.7861472 -595161404291514 1    281613 1      C-13-H3C(O)CH3
  413406.0066  0.3925 -6.6265 3 1132.1603516  595161404643925 4    643628 4      C-13-H3C(O)CH3
  413417.9522  0.0024 -4.5153 3  284.0958632 -59516140439 535 0    38 434 0      C-13-H3C(O)CH3
  413417.9522  0.0024 -4.5153 3  284.0958632 -59516140439 435 0    38 534 0      C-13-H3C(O)CH3
  413418.0032  0.0024 -3.3640 3  284.0958632  59516140439 535 0    38 534 0      C-13-H3C(O)CH3
  413418.0032  0.0024 -3.3640 3  284.0958632  59516140439 435 0    38 434 0      C-13-H3C(O)CH3
  413429.9374  0.0107 -4.9402 3   84.1150296  5951614041813 6 2    1710 7 2      C-13-H3C(O)CH3
  413441.7504  0.0403 -5.4612 3 1061.2776548  595161404681949 3    681950 3      C-13-H3C(O)CH3
  413441.7504  0.0403 -5.4612 3 1061.2776548  595161404682049 3    681850 3      C-13-H3C(O)CH3
  413441.9267  0.0404 -5.8512 3 1061.2776548  595161404681949 4    681850 4      C-13-H3C(O)CH3
  413441.9267  0.0404 -5.6776 3 1061.2776548  595161404681949 4    681950 4      C-13-H3C(O)CH3
  413441.9267  0.0404 -5.8512 3 1061.2776548  595161404682049 4    681950 4      C-13-H3C(O)CH3
  413441.9267  0.0404 -5.6776 3 1061.2776548  595161404682049 4    681850 4      C-13-H3C(O)CH3
  413458.8930  0.0025 -3.7608 3  219.7964472 -595161404291514 0    281613 0      C-13-H3C(O)CH3
  413462.8913  0.0237 -6.5924 3  302.8258260  5951614043226 6 4    3223 9 4      C-13-H3C(O)CH3
  413481.8420  0.0440 -6.4862 3  724.4953776  5951614044843 5 2    4744 3 2      C-13-H3C(O)CH3
  413563.6485  0.0122 -6.2034 3   75.4745140  5951614041713 4 3    1610 6 3      C-13-H3C(O)CH3
  413564.3387  0.0377 -4.7784 3  430.2044808  59516140450 248 0    50 249 0      C-13-H3C(O)CH3
  413564.3387  0.0377 -4.7784 3  430.2044808  59516140450 348 0    50 149 0      C-13-H3C(O)CH3
  413566.8649  0.0044 -3.5852 3  135.2154172 -5951614042120 1 4    2019 1 4      C-13-H3C(O)CH3
  413592.8888  0.0073 -6.0624 3   40.7014132  59516140416 314 3    15 015 3      C-13-H3C(O)CH3
  413592.8888  0.0073 -6.0624 3   40.7014132  59516140416 214 3    15 115 3      C-13-H3C(O)CH3
  413593.3795  0.0087 -6.0623 3   40.7014132  59516140416 314 4    15 015 4      C-13-H3C(O)CH3
  413593.3795  0.0087 -6.0621 3   40.7014132  59516140416 214 4    15 115 4      C-13-H3C(O)CH3
  413612.3384  0.0444 -6.4856 3  724.4739776  5951614044843 6 1    4744 4 1      C-13-H3C(O)CH3
  413652.7264  0.0065 -6.6084 3  135.3910392  59516140424 915 0    24 618 0      C-13-H3C(O)CH3
  413653.0834  0.0065 -6.6084 3  135.3910392  595161404241015 0    24 718 0      C-13-H3C(O)CH3
  413670.2998  0.0222 -6.5861 3  302.8124260  5951614043226 7 4    322310 4      C-13-H3C(O)CH3
  413681.8293  0.0190 -6.2893 3  302.8465520  5951614043226 6 1    3223 9 1      C-13-H3C(O)CH3
  413687.5094  0.0491 -6.5289 3  477.8557332  595161404412912 4    412616 4      C-13-H3C(O)CH3
  413697.7712  0.0372 -6.4844 3  724.4695776  5951614044843 6 0    4744 4 0      C-13-H3C(O)CH3
  413697.7712  0.0372 -6.4844 3  724.4695776  5951614044843 5 0    4744 3 0      C-13-H3C(O)CH3
  413716.7805  0.0038 -3.5848 3  135.1477172 -5951614042120 2 3    2019 2 3      C-13-H3C(O)CH3
  413721.4304  0.3471 -6.3275 3 1132.1524A32  595161404643925 1    643628 1      C-13-H3C(O)CH3
  413732.0756  0.0131 -6.3631 3   59.7554248  5951614041513 2 1    1410 5 1      C-13-H3C(O)CH3
  413753.6008  0.4014 -6.3281 3 1132.1568A32  595161404643925 2    643628 2      C-13-H3C(O)CH3
  413780.2062  0.0041 -3.5846 3  135.1532172 -5951614042120 1 3    2019 1 3      C-13-H3C(O)CH3
  413788.2383  0.0125 -6.3186 3   59.7589248  5951614041513 2 2    1410 5 2      C-13-H3C(O)CH3
  413821.0549  0.0208 -6.5900 3  302.8125260  5951614043226 6 3    322310 3      C-13-H3C(O)CH3
  413821.2001  0.0038 -3.2835 3  135.2137344 -5951614042120 1 1    2019 1 1      C-13-H3C(O)CH3
  413822.2903  0.0200 -5.3282 3  514.7818680  595161404423211 0    4133 8 0      C-13-H3C(O)CH3
  413822.3935  0.0200 -5.3282 3  514.7818680  595161404423210 0    4133 9 0      C-13-H3C(O)CH3
  413851.7091  0.0038 -3.2835 3  135.2300344 -5951614042120 1 2    2019 1 2      C-13-H3C(O)CH3
  413870.1002  0.0247 -6.5778 3  302.8522520  5951614043226 7 2    3223 9 2      C-13-H3C(O)CH3
  413878.8170  0.0432 -6.5186 3  685.2417380  5951614044741 6 4    4642 4 4      C-13-H3C(O)CH3
  413903.2985  0.0406 -6.1691 3 1020.4789A80  595161404671949 0    671750 0      C-13-H3C(O)CH3
  413903.2985  0.0406 -5.1276 3 1020.4789A80  595161404671949 0    671850 0      C-13-H3C(O)CH3
  413903.2985  0.0406 -6.1691 3 1020.4789A80  595161404671849 0    671850 0      C-13-H3C(O)CH3
  413903.2985  0.0406 -5.1276 3 1020.4789A80  595161404671849 0    671750 0      C-13-H3C(O)CH3
  413915.4336  0.0050 -4.0949 3  205.9637228  595161404281613 4    271512 4      C-13-H3C(O)CH3
  413926.5371  0.0315 -6.2161 3  685.2243760  5951614044741 6 1    4642 4 1      C-13-H3C(O)CH3
  413929.0985  0.0213 -5.3286 3  514.7812680  595161404423210 1    4133 8 1      C-13-H3C(O)CH3
  413929.4737  0.0039 -3.5842 3  135.0856172 -5951614042120 2 4    2019 2 4      C-13-H3C(O)CH3
  413930.0768  0.0065 -4.0950 3  205.9632228  595161404281613 3    271512 3      C-13-H3C(O)CH3
  413942.9942  0.0871 -6.2895 3 1534.0713636  595161404793050 4    792951 4      C-13-H3C(O)CH3
  413942.9942  0.0871 -6.2895 3 1534.0713636  595161404792950 4    792851 4      C-13-H3C(O)CH3
  413943.0193  0.0871 -6.3322 3 1534.0713636  595161404793050 3    792951 3      C-13-H3C(O)CH3
  413943.0193  0.0871 -6.3322 3 1534.0713636  595161404792950 3    792851 3      C-13-H3C(O)CH3
  413947.8066  0.0051 -4.6059 3   88.8958156  5951614041911 9 4    18 810 4      C-13-H3C(O)CH3
  413958.6389  0.0250 -6.5903 3  302.8493520  5951614043226 7 2    322310 2      C-13-H3C(O)CH3
  413959.7768  0.0039 -4.6059 3   88.8957156  5951614041911 9 3    18 810 3      C-13-H3C(O)CH3
  413971.3048  0.0940 -6.0321 3 1534.0510C72  595161404792950 1    792951 1      C-13-H3C(O)CH3
  413971.3048  0.0940 -6.0321 3 1534.0510C72  595161404793050 1    792851 1      C-13-H3C(O)CH3
  413974.7443  0.0931 -6.1228 3 1534.0537C72  595161404792950 2    792851 2      C-13-H3C(O)CH3
  413974.7443  0.0931 -6.1228 3 1534.0537C72  595161404793050 2    792951 2      C-13-H3C(O)CH3
  413974.7443  0.0931 -6.4805 3 1534.0537C72  595161404793050 2    792851 2      C-13-H3C(O)CH3
  413974.7443  0.0931 -6.4805 3 1534.0537C72  595161404792950 2    792951 2      C-13-H3C(O)CH3
  413981.2710  0.0443 -6.4849 3  724.4558776  5951614044843 6 2    4744 4 2      C-13-H3C(O)CH3
  413991.7431  0.0483 -6.1082 3 1020.4796A80  595161404671849 1    671750 1      C-13-H3C(O)CH3
  413991.7431  0.0483 -5.1333 3 1020.4796A80  595161404671849 1    671850 1      C-13-H3C(O)CH3
  413991.7431  0.0483 -5.1333 3 1020.4796A80  595161404671949 1    671750 1      C-13-H3C(O)CH3
  413991.7431  0.0483 -6.1082 3 1020.4796A80  595161404671949 1    671850 1      C-13-H3C(O)CH3
  413994.6662  0.0495 -5.0975 3 1020.4797A80  595161404671949 2    671750 2      C-13-H3C(O)CH3
  413994.6662  0.0495 -5.0975 3 1020.4797A80  595161404671849 2    671850 2      C-13-H3C(O)CH3
  414000.8770  0.0038 -3.2831 3  135.1623344 -5951614042120 2 2    2019 2 2      C-13-H3C(O)CH3
  414001.7681  0.0195 -5.3273 3  514.7684680  595161404423211 2    4133 9 2      C-13-H3C(O)CH3
  414001.9901  0.0053 -3.7941 3  205.9765456 -595161404281613 1    271512 1      C-13-H3C(O)CH3
  414003.0336  0.0997 -6.1770 3 1534.0334C72  595161404792950 0    792851 0      C-13-H3C(O)CH3
  414003.0336  0.0997 -6.3773 3 1534.0334C72  595161404792950 0    792951 0      C-13-H3C(O)CH3
  414003.0336  0.0997 -6.1770 3 1534.0334C72  595161404793050 0    792951 0      C-13-H3C(O)CH3
  414003.0336  0.0997 -6.3773 3 1534.0334C72  595161404793050 0    792851 0      C-13-H3C(O)CH3
  414024.8858  0.0234 -6.5942 3  302.8522520  5951614043226 6 2    3223 9 2      C-13-H3C(O)CH3
  414033.9146  0.0037 -3.2829 3  135.1515344 -5951614042120 2 1    2019 2 1      C-13-H3C(O)CH3
  414034.5393  0.0190 -6.2868 3  302.8332520  5951614043226 7 1    322310 1      C-13-H3C(O)CH3
  414049.3885  0.0201 -5.3279 3  514.7499680  595161404423211 1    4133 9 1      C-13-H3C(O)CH3
  414053.9860  0.0578 -5.9623 3  399.9319792  59516140449 248 0    49 049 0      C-13-H3C(O)CH3
  414053.9860  0.0578 -5.0621 3  399.9319792  59516140449 148 0    49 049 0      C-13-H3C(O)CH3
  414053.9860  0.0578 -5.9623 3  399.9319792  59516140449 148 0    49 149 0      C-13-H3C(O)CH3
  414053.9860  0.0578 -5.0621 3  399.9319792  59516140449 248 0    49 149 0      C-13-H3C(O)CH3
  414057.3736  0.0096 -5.7596 3   40.6289264  59516140416 214 2    15 115 2      C-13-H3C(O)CH3
  414057.3737  0.0096 -5.7597 3   40.6289264  59516140416 314 2    15 015 2      C-13-H3C(O)CH3
  414059.1484  0.0095 -5.7610 3   40.6294264  59516140416 214 1    15 115 1      C-13-H3C(O)CH3
  414059.1485  0.0095 -5.7596 3   40.6294264  59516140416 314 1    15 015 1      C-13-H3C(O)CH3
  414083.2310  0.0378 -5.4565 3 1020.4804540  595161404671849 3    671750 3      C-13-H3C(O)CH3
  414083.2310  0.0378 -6.2406 3 1020.4804540  595161404671949 3    671750 3      C-13-H3C(O)CH3
  414083.2310  0.0378 -5.4565 3 1020.4804540  595161404671949 3    671850 3      C-13-H3C(O)CH3
  414083.2310  0.0378 -6.2406 3 1020.4804540  595161404671849 3    671850 3      C-13-H3C(O)CH3
  414083.4174  0.0378 -5.3972 3 1020.4804540  595161404671949 4    671850 4      C-13-H3C(O)CH3
  414083.4174  0.0378 -5.7508 3 1020.4804540  595161404671949 4    671750 4      C-13-H3C(O)CH3
  414083.4174  0.0378 -5.6391 3 1020.4804540  595161404671849 4    671750 4      C-13-H3C(O)CH3
  414090.5702  0.3512 -6.3302 3 1132.1488A32  595161404643925 0    643628 0      C-13-H3C(O)CH3
  414105.9991  0.0039 -3.2829 3  135.2282344 -5951614042120 1 0    2019 2 0      C-13-H3C(O)CH3
  414105.9991  0.0039 -3.2829 3  135.2282344 -5951614042120 2 0    2019 1 0      C-13-H3C(O)CH3
  414106.3541  0.0225 -5.6288 3  514.7679340  595161404423210 3    4133 8 3      C-13-H3C(O)CH3
  414113.4245  0.0231 -6.5814 3  302.8493520  5951614043226 6 2    322310 2      C-13-H3C(O)CH3
  414139.9550  0.0208 -5.3279 3  514.7888680  595161404423210 2    4133 8 2      C-13-H3C(O)CH3
  414148.1187  0.0328 -6.2164 3  685.2016760  5951614044741 6 2    4642 4 2      C-13-H3C(O)CH3
  414156.3101  0.0168 -6.5734 3  269.5440504  5951614043122 9 1    311714 1      C-13-H3C(O)CH3
  414161.3500  0.0039 -4.3044 3   88.8682312  5951614041911 9 2    18 810 2      C-13-H3C(O)CH3
  414167.6923  0.0050 -3.7944 3  205.9656456 -595161404281613 2    271512 2      C-13-H3C(O)CH3
  414178.8355  0.0418 -6.5184 3  685.1944380  5951614044741 7 3    4642 5 3      C-13-H3C(O)CH3
  414180.6678  0.0037 -4.3043 3   88.8707312  5951614041911 9 1    18 810 1      C-13-H3C(O)CH3
  414189.7111  0.0199 -5.7492 3  531.8421712  595161404442718 0    442421 0      C-13-H3C(O)CH3
  414195.8344  0.0299 -6.2150 3  685.1840760  5951614044741 7 0    4642 4 0      C-13-H3C(O)CH3
  414195.8344  0.0299 -6.2150 3  685.1840760  5951614044741 6 0    4642 5 0      C-13-H3C(O)CH3
  414225.3403  0.0352 -6.2159 3  685.1769760  5951614044741 7 1    4642 5 1      C-13-H3C(O)CH3
  414227.1418  0.0211 -5.6281 3  514.7364340  595161404423211 4    4133 9 4      C-13-H3C(O)CH3
  414242.7683  0.0193 -6.2846 3  302.8727520  5951614043226 6 0    3223 9 0      C-13-H3C(O)CH3
  414243.0090  0.0046 -3.7945 3  205.9788456 -595161404281613 0    271512 0      C-13-H3C(O)CH3
  414245.9420  0.0252 -5.6294 3  514.7881340  595161404423210 4    4133 8 4      C-13-H3C(O)CH3
  414252.2357  0.0021 -3.9611 3  229.8899244  595161404301416 4    291515 4      C-13-H3C(O)CH3
  414252.3580  0.0021 -3.9611 3  229.8899244  595161404301416 3    291515 3      C-13-H3C(O)CH3
  414293.7650  0.0405 -6.5172 3  685.2090380  5951614044741 6 3    4642 4 3      C-13-H3C(O)CH3
  414298.1004  0.0032 -5.4237 3  142.7797188  5951614042316 7 3    2215 7 3      C-13-H3C(O)CH3
  414313.0095  0.0023 -3.6601 3  229.9073488 -595161404301416 1    291515 1      C-13-H3C(O)CH3
  414324.1943  0.0023 -3.6603 3  229.9032488 -595161404301416 2    291515 2      C-13-H3C(O)CH3
  414331.1341  0.0192 -6.2844 3  302.8697520  5951614043226 7 0    322310 0      C-13-H3C(O)CH3
  414347.0624  0.0203 -5.7488 3  531.8233712  595161404442718 1    442421 1      C-13-H3C(O)CH3
  414349.9683  0.0077 -4.1354 3  192.4556220  595161404271612 4    261511 4      C-13-H3C(O)CH3
  414364.8234  0.0220 -5.6287 3  514.7569340  595161404423211 3    4133 9 3      C-13-H3C(O)CH3
  414371.5897  0.0082 -4.1354 3  192.4550220  595161404271612 3    261511 3      C-13-H3C(O)CH3
  414374.4911  0.0188 -5.7491 3  531.8197712  595161404442718 2    442421 2      C-13-H3C(O)CH3
  414374.9293  0.0086 -4.8345 3   84.0861296  5951614041813 6 0    1710 7 0      C-13-H3C(O)CH3
  414384.7418  0.0021 -3.6603 3  229.9206488 -595161404301416 0    291515 0      C-13-H3C(O)CH3
  414387.7336  0.0039 -4.3039 3   88.8432312  5951614041911 9 0    18 810 0      C-13-H3C(O)CH3
  414396.4122  0.0022 -3.8999 3  239.3190252 -595161404311318 3    301417 3      C-13-H3C(O)CH3
  414396.4122  0.0022 -3.8999 3  239.3190252 -595161404311318 4    301417 4      C-13-H3C(O)CH3
  414399.6148  0.0022 -3.8999 3  239.3189252 -595161404311418 3    301317 3      C-13-H3C(O)CH3
  414399.6148  0.0022 -3.8999 3  239.3189252 -595161404311418 4    301317 4      C-13-H3C(O)CH3
  414410.3463  0.0021 -3.9607 3  229.8857244  595161404301516 4    291415 4      C-13-H3C(O)CH3
  414410.9658  0.0021 -3.9607 3  229.8857244  595161404301516 3    291415 3      C-13-H3C(O)CH3
  414425.3851  0.0139 -6.4050 3  269.5583504  5951614043122 9 0    311714 0      C-13-H3C(O)CH3
  414437.7666  0.0024 -3.6664 3  287.8387324 -59516140440 437 4    39 436 4      C-13-H3C(O)CH3
  414437.7666  0.0024 -3.6664 3  287.8387324 -59516140440 337 4    39 336 4      C-13-H3C(O)CH3
  414437.7666  0.0024 -6.2223 3  287.8386324 -59516140440 337 3    39 436 3      C-13-H3C(O)CH3
  414437.7666  0.0024 -6.2223 3  287.8386324 -59516140440 437 3    39 336 3      C-13-H3C(O)CH3
  414437.7674  0.0024 -3.6145 3  287.8386324  59516140440 437 3    39 436 3      C-13-H3C(O)CH3
  414437.7674  0.0024 -3.6145 3  287.8386324  59516140440 337 3    39 336 3      C-13-H3C(O)CH3
  414437.7709  0.0024 -4.5531 3  287.8387324  59516140440 437 4    39 336 4      C-13-H3C(O)CH3
  414437.7709  0.0024 -4.5531 3  287.8387324  59516140440 337 4    39 436 4      C-13-H3C(O)CH3
  414449.3254  0.0024 -3.5989 3  239.3372504 -595161404311318 1    301417 1      C-13-H3C(O)CH3
  414452.5251  0.0024 -3.5989 3  239.3371504 -595161404311418 1    301317 1      C-13-H3C(O)CH3
  414457.3283  0.0024 -3.5990 3  239.3342504 -595161404311318 2    301417 2      C-13-H3C(O)CH3
  414460.3957  0.0024 -3.5990 3  239.3341504 -595161404311418 2    301317 2      C-13-H3C(O)CH3
  414469.2184  0.0023 -3.6597 3  229.9032488 -595161404301516 1    291415 1      C-13-H3C(O)CH3
  414473.5786  0.0029 -3.3899 3  287.8202648  59516140440 437 1    39 436 1      C-13-H3C(O)CH3
  414473.5786  0.0029 -4.0982 3  287.8202648  59516140440 337 1    39 436 1      C-13-H3C(O)CH3
  414473.6255  0.0029 -3.5478 3  287.8197648 -59516140440 437 2    39 436 2      C-13-H3C(O)CH3
  414473.6255  0.0029 -4.0982 3  287.8202648 -59516140440 437 1    39 336 1      C-13-H3C(O)CH3
  414473.6255  0.0029 -3.6905 3  287.8197648 -59516140440 337 2    39 436 2      C-13-H3C(O)CH3
  414473.6255  0.0029 -3.3899 3  287.8202648 -59516140440 337 1    39 336 1      C-13-H3C(O)CH3
  414473.7295  0.0029 -3.6905 3  287.8197648  59516140440 437 2    39 336 2      C-13-H3C(O)CH3
  414473.7295  0.0029 -3.5478 3  287.8197648  59516140440 337 2    39 336 2      C-13-H3C(O)CH3
  414477.0831  0.0070 -3.8345 3  192.4644440 -595161404271612 1    261511 1      C-13-H3C(O)CH3
  414484.1623  0.0097 -5.4341 3   67.2848264  5951614041613 4 0    1510 5 0      C-13-H3C(O)CH3
  414485.8577  0.0023 -3.6599 3  229.8989488 -595161404301516 2    291415 2      C-13-H3C(O)CH3
  414501.4498  0.0367 -5.0442 3  980.2689A64  595161404661749 0    661750 0      C-13-H3C(O)CH3
  414501.4498  0.0367 -5.0442 3  980.2689A64  595161404661849 0    661650 0      C-13-H3C(O)CH3
  414501.4498  0.0367 -6.4661 3  980.2689A64  595161404661749 0    661650 0      C-13-H3C(O)CH3
  414501.4498  0.0367 -6.4661 3  980.2689A64  595161404661849 0    661750 0      C-13-H3C(O)CH3
  414509.4586  0.0023 -3.5400 3  287.8013648  59516140440 337 0    39 436 0      C-13-H3C(O)CH3
  414509.4586  0.0023 -3.5400 3  287.8013648  59516140440 437 0    39 336 0      C-13-H3C(O)CH3
  414509.5710  0.0023 -3.7015 3  287.8013648 -59516140440 337 0    39 336 0      C-13-H3C(O)CH3
  414509.5710  0.0023 -3.7015 3  287.8013648 -59516140440 437 0    39 436 0      C-13-H3C(O)CH3
  414510.1471  0.0021 -3.5990 3  239.3524504 -595161404311318 0    301417 0      C-13-H3C(O)CH3
  414513.0790  0.0021 -3.5990 3  239.3523504 -595161404311418 0    301317 0      C-13-H3C(O)CH3
  414518.5756  0.0169 -6.0497 3  531.8008356  595161404442718 4    442421 4      C-13-H3C(O)CH3
  414522.5536  0.0097 -5.7579 3   40.5570264  59516140416 314 0    15 015 0      C-13-H3C(O)CH3
  414522.5536  0.0097 -5.7581 3   40.5570264  59516140416 214 0    15 115 0      C-13-H3C(O)CH3
  414544.0798  0.0021 -3.6599 3  229.9163488 -595161404301516 0    291415 0      C-13-H3C(O)CH3
  414545.4419  0.0166 -6.0496 3  531.8009356  595161404442718 3    442421 3      C-13-H3C(O)CH3
  414548.6202  0.0159 -6.4388 3  269.5342504  5951614043122 9 2    311714 2      C-13-H3C(O)CH3
  414561.4307  0.0339 -6.2151 3  685.1687760  5951614044741 7 2    4642 5 2      C-13-H3C(O)CH3
  414567.6976  0.0038 -4.1654 3  142.7954188 -5951614042316 7 4    2215 7 4      C-13-H3C(O)CH3
  414588.1019  0.0034 -4.1219 3  142.7847376 -5951614042316 7 1    2215 7 1      C-13-H3C(O)CH3
  414591.1926  0.0450 -6.5170 3  685.1616380  5951614044741 7 4    4642 5 4      C-13-H3C(O)CH3
  414598.4731  0.0438 -5.6289 3  980.2651A64  595161404661749 1    661650 1      C-13-H3C(O)CH3
  414598.4731  0.0438 -5.1530 3  980.2651A64  595161404661849 1    661650 1      C-13-H3C(O)CH3
  414598.4731  0.0438 -5.6289 3  980.2651A64  595161404661849 1    661750 1      C-13-H3C(O)CH3
  414598.4731  0.0438 -5.1530 3  980.2651A64  595161404661749 1    661750 1      C-13-H3C(O)CH3
  414600.7607  0.0446 -5.4828 3  980.2650A64  595161404661749 2    661650 2      C-13-H3C(O)CH3
  414600.7607  0.0446 -5.4828 3  980.2650A64  595161404661849 2    661750 2      C-13-H3C(O)CH3
  414600.7607  0.0446 -5.2153 3  980.2650A64  595161404661849 2    661650 2      C-13-H3C(O)CH3
  414600.7607  0.0446 -5.2153 3  980.2650A64  595161404661749 2    661750 2      C-13-H3C(O)CH3
  414609.5253  0.0036 -4.2976 3  142.7819376 -5951614042316 7 2    2215 7 2      C-13-H3C(O)CH3
  414643.2896  0.0121 -5.6731 3   67.3238264  5951614041613 3 1    1510 5 1      C-13-H3C(O)CH3
  414697.9096  0.0353 -5.4031 3  980.2611532  595161404661849 3    661750 3      C-13-H3C(O)CH3
  414697.9096  0.0353 -5.5500 3  980.2611532  595161404661749 3    661650 3      C-13-H3C(O)CH3
  414697.9096  0.0353 -5.7270 3  980.2611532  595161404661749 3    661750 3      C-13-H3C(O)CH3
  414697.9096  0.0353 -6.1302 3  980.2611532  595161404661849 3    661650 3      C-13-H3C(O)CH3
  414698.0994  0.0354 -5.4405 3  980.2611532  595161404661749 4    661750 4      C-13-H3C(O)CH3
  414698.0994  0.0354 -5.4405 3  980.2611532  595161404661849 4    661650 4      C-13-H3C(O)CH3
  414698.0994  0.0354 -5.9721 3  980.2611532  595161404661849 4    661750 4      C-13-H3C(O)CH3
  414698.0994  0.0354 -5.9721 3  980.2611532  595161404661749 4    661650 4      C-13-H3C(O)CH3
  414732.3414  0.0066 -3.8343 3  192.4509440 -595161404271612 2    261511 2      C-13-H3C(O)CH3
  414736.7203  0.0326 -5.8021 3  617.9622760  595161404473117 0    472820 0      C-13-H3C(O)CH3
  414793.4521  0.0097 -5.1513 3   75.4035280  5951614041713 5 0    1610 6 0      C-13-H3C(O)CH3
  414843.8234  0.0063 -3.8345 3  192.4602440 -595161404271612 0    261511 0      C-13-H3C(O)CH3
  414850.5232  0.0122 -5.6854 3   67.3199264  5951614041613 3 2    1510 5 2      C-13-H3C(O)CH3
  414864.2102  0.0065 -3.9032 3  222.8568472 -595161404291613 2    281712 2      C-13-H3C(O)CH3
  414878.4687  0.0149 -5.9266 3   67.3628132  5951614041613 3 4    1510 5 4      C-13-H3C(O)CH3
  414882.0065  0.0793 -6.2122 3 1486.9583628  595161404782950 4    782851 4      C-13-H3C(O)CH3
  414882.0065  0.0793 -6.2122 3 1486.9583628  595161404782850 4    782751 4      C-13-H3C(O)CH3
  414882.0155  0.0793 -6.5442 3 1486.9583628  595161404782850 3    782851 3      C-13-H3C(O)CH3
  414882.0155  0.0793 -6.4263 3 1486.9583628  595161404782950 3    782851 3      C-13-H3C(O)CH3
  414882.0155  0.0793 -6.4263 3 1486.9583628  595161404782850 3    782751 3      C-13-H3C(O)CH3
  414882.0155  0.0793 -6.5442 3 1486.9583628  595161404782950 3    782751 3      C-13-H3C(O)CH3
  414903.1681  0.0822 -6.1557 3 1486.9369C56  595161404782850 1    782751 1      C-13-H3C(O)CH3
  414903.1681  0.0822 -6.2060 3 1486.9369C56  595161404782950 1    782751 1      C-13-H3C(O)CH3
  414903.1681  0.0822 -6.2060 3 1486.9369C56  595161404782850 1    782851 1      C-13-H3C(O)CH3
  414903.1681  0.0822 -6.1557 3 1486.9369C56  595161404782950 1    782851 1      C-13-H3C(O)CH3
  414907.4785  0.0837 -5.8866 3 1486.9394C56  595161404782950 2    782751 2      C-13-H3C(O)CH3
  414907.4785  0.0837 -5.8866 3 1486.9394C56  595161404782850 2    782851 2      C-13-H3C(O)CH3
  414907.5166  0.0263 -5.9783 3  647.2336744  5951614044639 7 1    4540 5 1      C-13-H3C(O)CH3
  414925.5361  0.0110 -5.0181 3  389.3688616  595161404382217 1    372314 1      C-13-H3C(O)CH3
  414927.1703  0.0090 -4.2024 3  222.8457236  595161404291613 3    281712 3      C-13-H3C(O)CH3
  414928.6468  0.0871 -5.8876 3 1486.9180C56  595161404782850 0    782851 0      C-13-H3C(O)CH3
  414928.6468  0.0871 -5.8876 3 1486.9180C56  595161404782950 0    782751 0      C-13-H3C(O)CH3
  414943.1845  0.0069 -4.2023 3  222.8455236  595161404291613 4    281712 4      C-13-H3C(O)CH3
  414952.6435  0.0311 -6.1100 3  724.5763840  595161404522725 0    513022 0      C-13-H3C(O)CH3
  414954.4488  0.0023 -3.8531 3  248.1072260 -595161404321220 3    311319 3      C-13-H3C(O)CH3
  414954.4488  0.0024 -3.8531 3  248.1072260 -595161404321320 4    311219 4      C-13-H3C(O)CH3
  414954.4488  0.0023 -3.8531 3  248.1072260 -595161404321320 3    311219 3      C-13-H3C(O)CH3
  414954.4488  0.0024 -3.8531 3  248.1072260 -595161404321220 4    311319 4      C-13-H3C(O)CH3
  414969.7673  0.0339 -6.1090 3  724.5712840  595161404522725 1    513022 1      C-13-H3C(O)CH3
  414970.3278  0.0057 -3.9031 3  222.8725472 -595161404291613 0    281712 0      C-13-H3C(O)CH3
  414983.2711  0.2327 -6.6751 3 1917.3864E00  595161404873651 2    873652 2      C-13-H3C(O)CH3
  414983.2711  0.2327 -6.6751 3 1917.3864E00  595161404873751 2    873552 2      C-13-H3C(O)CH3
  414997.4790  0.0151 -5.3155 3  389.3387308  595161404382217 3    372314 3      C-13-H3C(O)CH3
  415001.3953  0.0318 -6.1078 3  724.5691840  595161404522725 2    513022 2      C-13-H3C(O)CH3
  415002.7341  0.0126 -5.3155 3  389.3384308  595161404382217 4    372314 4      C-13-H3C(O)CH3
  415003.1516  0.0026 -3.5521 3  248.1255520 -595161404321220 1    311319 1      C-13-H3C(O)CH3
  415003.1516  0.0026 -3.5521 3  248.1255520 -595161404321320 1    311219 1      C-13-H3C(O)CH3
  415003.2905  0.0295 -5.8426 3  617.9511760  595161404473117 1    472820 1      C-13-H3C(O)CH3
  415004.7164  0.0289 -6.4168 3  414.7594308  595161404382811 4    382514 4      C-13-H3C(O)CH3
  415008.1545  0.0331 -6.2803 3  647.2459372  5951614044639 7 4    4540 5 4      C-13-H3C(O)CH3
  415008.2919  0.0026 -3.5522 3  248.1232520 -595161404321320 2    311219 2      C-13-H3C(O)CH3
  415008.2919  0.0026 -3.5522 3  248.1232520 -595161404321220 2    311319 2      C-13-H3C(O)CH3
  415012.7758  0.0231 -6.1985 3  414.7789616  595161404382811 1    382514 1      C-13-H3C(O)CH3
  415013.2027  0.0329 -6.4080 3  724.5642420  595161404522725 3    513022 3      C-13-H3C(O)CH3
  415020.4145  0.0332 -6.4080 3  724.5639420  595161404522725 4    513022 4      C-13-H3C(O)CH3
  415028.5532  0.2643 -6.7149 3 1917.3834E00  595161404873751 0    873552 0      C-13-H3C(O)CH3
  415028.5532  0.2643 -6.7149 3 1917.3834E00  595161404873651 0    873652 0      C-13-H3C(O)CH3
  415029.0147  0.0394 -5.9952 3  669.7813808  595161404502724 0    492821 0      C-13-H3C(O)CH3
  415037.4423  0.0069 -3.9012 3  222.8614472 -595161404291613 1    281712 1      C-13-H3C(O)CH3
  415042.8754  0.0120 -5.4780 3   75.4427280  5951614041713 4 1    1610 6 1      C-13-H3C(O)CH3
  415045.6279  0.0094 -5.0168 3  389.3868616  595161404382217 0    372314 0      C-13-H3C(O)CH3
  415056.8361  0.0022 -3.5522 3  248.1415520 -595161404321220 0    311319 0      C-13-H3C(O)CH3
  415056.8361  0.0022 -3.5522 3  248.1415520 -595161404321320 0    311219 0      C-13-H3C(O)CH3
  415078.3257  0.0326 -4.9694 3  940.6383A48  595161404651649 0    651550 0      C-13-H3C(O)CH3
  415078.3257  0.0326 -4.9694 3  940.6383A48  595161404651749 0    651650 0      C-13-H3C(O)CH3
  415082.6743  0.0260 -5.9772 3  647.2036744  5951614044639 7 0    4540 5 0      C-13-H3C(O)CH3
  415082.6743  0.0260 -5.9772 3  647.2036744  5951614044639 8 0    4540 6 0      C-13-H3C(O)CH3
  415092.2780  0.0206 -5.5148 3  497.0198696  595161404432420 0    422517 0      C-13-H3C(O)CH3
  415118.9117  0.0033 -3.7028 3  137.9977180 -5951614042218 4 4    2117 4 4      C-13-H3C(O)CH3
  415121.2539  0.0117 -5.0131 3  389.3566616  595161404382217 2    372314 2      C-13-H3C(O)CH3
  415161.5955  0.0419 -5.8697 3  617.9478760  595161404473117 2    472820 2      C-13-H3C(O)CH3
  415163.6999  0.0414 -6.2235 3  617.9365380  595161404473117 4    472820 4      C-13-H3C(O)CH3
  415181.3828  0.0389 -6.1761 3  940.6297A48  595161404651749 1    651650 1      C-13-H3C(O)CH3
  415181.3828  0.0389 -5.0091 3  940.6297A48  595161404651649 1    651650 1      C-13-H3C(O)CH3
  415181.3828  0.0389 -6.0188 3  940.6297A48  595161404651649 1    651550 1      C-13-H3C(O)CH3
  415181.3828  0.0389 -4.9964 3  940.6297A48  595161404651749 1    651550 1      C-13-H3C(O)CH3
  415182.2229  0.0272 -5.9782 3  647.2161744  5951614044639 7 2    4540 5 2      C-13-H3C(O)CH3
  415183.0619  0.0393 -5.5781 3  940.6296A48  595161404651649 2    651550 2      C-13-H3C(O)CH3
  415183.0619  0.0393 -5.0911 3  940.6296A48  595161404651649 2    651650 2      C-13-H3C(O)CH3
  415183.0619  0.0393 -5.0911 3  940.6296A48  595161404651749 2    651550 2      C-13-H3C(O)CH3
  415183.0619  0.0393 -5.5781 3  940.6296A48  595161404651749 2    651650 2      C-13-H3C(O)CH3
  415184.0962  0.0213 -5.5136 3  496.9972696  595161404432420 1    422517 1      C-13-H3C(O)CH3
  415206.4050  0.0307 -5.9778 3  647.1876744  5951614044639 8 1    4540 6 1      C-13-H3C(O)CH3
  415214.4705  0.0029 -3.7029 3  137.9395180 -5951614042218 4 3    2117 4 3      C-13-H3C(O)CH3
  415254.3287  0.0120 -5.4920 3   75.4361280  5951614041713 4 2    1610 6 2      C-13-H3C(O)CH3
  415255.9306  0.0031 -3.7026 3  137.9329180 -5951614042218 5 3    2117 5 3      C-13-H3C(O)CH3
  415264.4403  0.0097 -5.4282 3   84.1232296  5951614041813 5 1    1710 7 1      C-13-H3C(O)CH3
  415286.2475  0.0330 -5.8643 3  940.6210524  595161404651649 3    651550 3      C-13-H3C(O)CH3
  415286.2475  0.0330 -5.3966 3  940.6210524  595161404651649 3    651650 3      C-13-H3C(O)CH3
  415286.2475  0.0330 -5.8643 3  940.6210524  595161404651749 3    651650 3      C-13-H3C(O)CH3
  415286.2475  0.0330 -5.3966 3  940.6210524  595161404651749 3    651550 3      C-13-H3C(O)CH3
  415286.4319  0.0331 -5.2725 3  940.6209524  595161404651649 4    651650 4      C-13-H3C(O)CH3
  415286.4319  0.0331 -5.2725 3  940.6209524  595161404651749 4    651550 4      C-13-H3C(O)CH3
  415291.4869  0.0410 -6.3189 3  807.3416888  595161404552827 0    543124 0      C-13-H3C(O)CH3
  415296.2290  0.0359 -5.9933 3  669.7641808  595161404502724 1    492821 1      C-13-H3C(O)CH3
  415303.2361  0.0329 -6.2790 3  647.2190372  5951614044639 7 3    4540 5 3      C-13-H3C(O)CH3
  415307.0086  0.0253 -6.1439 3  414.7810616  595161404382811 2    382514 2      C-13-H3C(O)CH3
  415307.0615  0.0350 -6.2798 3  647.2001372  5951614044639 8 3    4540 6 3      C-13-H3C(O)CH3
  415318.9103  0.0570 -6.5315 3  894.3455936  595161404582929 0    573226 0      C-13-H3C(O)CH3
  415331.3465  0.0028 -3.4011 3  137.9816360 -5951614042218 4 1    2117 4 1      C-13-H3C(O)CH3
  415341.9394  0.0152 -5.7390 3   75.4765140  5951614041713 4 4    1610 6 4      C-13-H3C(O)CH3
  415351.7376  0.0028 -3.7024 3  137.8748180 -5951614042218 5 4    2117 5 4      C-13-H3C(O)CH3
  415358.1181  0.0214 -5.9445 3  414.7988616  595161404382811 0    382514 0      C-13-H3C(O)CH3
  415359.9389  0.0440 -6.3175 3  807.3409888  595161404552827 1    543124 1      C-13-H3C(O)CH3
  415362.5292  0.0240 -6.4722 3  356.4408284  5951614043527 8 3    352411 3      C-13-H3C(O)CH3
  415373.4829  0.0217 -6.3881 3  356.4553568  5951614043527 9 1    352411 1      C-13-H3C(O)CH3
  415374.3425  0.0294 -6.4722 3  414.7626308  595161404382811 3    382514 3      C-13-H3C(O)CH3
  415385.9675  0.0470 -6.3166 3  807.3399888  595161404552827 2    543124 2      C-13-H3C(O)CH3
  415386.0181  0.0030 -3.4008 3  137.9890360 -5951614042218 4 2    2117 4 2      C-13-H3C(O)CH3
  415403.5288  0.0590 -6.5299 3  894.3497936  595161404582929 1    573226 1      C-13-H3C(O)CH3
  415414.6586  0.0651 -6.5294 3  894.3500936  595161404582929 2    573226 2      C-13-H3C(O)CH3
  415451.2067  0.0669 -5.9915 3  669.7572808  595161404502724 2    492821 2      C-13-H3C(O)CH3
  415451.6142  0.0095 -5.4912 3   84.1150296  5951614041813 5 2    1710 7 2      C-13-H3C(O)CH3
  415452.3569  0.0497 -6.6163 3  807.3392444  595161404552827 3    543124 3      C-13-H3C(O)CH3
  415454.7230  0.0501 -6.6163 3  807.3391444  595161404552827 4    543124 4      C-13-H3C(O)CH3
  415467.5052  0.0027 -3.4008 3  137.9170360 -5951614042218 5 1    2117 5 1      C-13-H3C(O)CH3
  415477.0755  0.0286 -5.9769 3  647.1890744  5951614044639 8 2    4540 6 2      C-13-H3C(O)CH3
  415478.5172  0.0249 -6.2963 3  414.7789616  595161404382810 1    382514 1      C-13-H3C(O)CH3
  415480.8713  0.0028 -3.4008 3  137.9309360 -5951614042218 5 2    2117 5 2      C-13-H3C(O)CH3
  415516.0466  0.0131 -5.5807 3   84.1530148  5951614041813 5 4    1710 7 4      C-13-H3C(O)CH3
  415533.9271  0.0356 -5.5092 3  496.9812696  595161404432420 2    422517 2      C-13-H3C(O)CH3
  415546.0386  0.0025 -4.5351 3  291.0244332  59516140441 239 3    40 238 3      C-13-H3C(O)CH3
  415546.0386  0.0025 -4.5351 3  291.0244332  59516140441 339 3    40 338 3      C-13-H3C(O)CH3
  415546.0538  0.0025 -3.7320 3  291.0245332  59516140441 339 4    40 338 4      C-13-H3C(O)CH3
  415546.0538  0.0025 -3.7320 3  291.0245332  59516140441 239 4    40 238 4      C-13-H3C(O)CH3
  415546.0805  0.0025 -4.1507 3  291.0245332 -59516140441 239 4    40 338 4      C-13-H3C(O)CH3
  415546.0805  0.0025 -4.1507 3  291.0245332 -59516140441 339 4    40 238 4      C-13-H3C(O)CH3
  415546.0805  0.0025 -3.6442 3  291.0244332 -59516140441 239 3    40 338 3      C-13-H3C(O)CH3
  415546.0805  0.0025 -3.6442 3  291.0244332 -59516140441 339 3    40 238 3      C-13-H3C(O)CH3
  415565.6042  0.0131 -6.3102 3  285.0510520  595161404322210 1    321715 1      C-13-H3C(O)CH3
  415569.7166  0.0362 -6.6369 3  414.7626308  595161404382810 3    382514 3      C-13-H3C(O)CH3
  415575.2469  0.0029 -4.6954 3  290.9937664  59516140441 239 1    40 238 1      C-13-H3C(O)CH3
  415575.2469  0.0029 -3.3080 3  290.9937664  59516140441 339 1    40 238 1      C-13-H3C(O)CH3
  415575.2504  0.0029 -3.3751 3  290.9933664 -59516140441 339 2    40 238 2      C-13-H3C(O)CH3
  415575.2504  0.0029 -4.6954 3  290.9937664 -59516140441 339 1    40 338 1      C-13-H3C(O)CH3
  415575.2504  0.0029 -3.3080 3  290.9937664 -59516140441 239 1    40 338 1      C-13-H3C(O)CH3
  415575.2504  0.0029 -3.3751 3  290.9933664 -59516140441 239 2    40 338 2      C-13-H3C(O)CH3
  415575.3273  0.0029 -4.0430 3  290.9933664  59516140441 239 2    40 238 2      C-13-H3C(O)CH3
  415575.3273  0.0029 -4.0430 3  290.9933664  59516140441 339 2    40 338 2      C-13-H3C(O)CH3
  415582.6326  0.0247 -6.4711 3  356.4407284  5951614043527 8 4    352411 4      C-13-H3C(O)CH3
  415590.8403  0.0221 -6.3776 3  356.4553568  5951614043527 8 1    352411 1      C-13-H3C(O)CH3
  415593.8803  0.0029 -3.4002 3  137.9730360 -5951614042218 5 0    2117 4 0      C-13-H3C(O)CH3
  415600.1563  0.0381 -6.2785 3  647.1731372  5951614044639 8 4    4540 6 4      C-13-H3C(O)CH3
  415600.5249  0.0029 -3.4002 3  137.9728360 -5951614042218 4 0    2117 5 0      C-13-H3C(O)CH3
  415604.4161  0.0024 -3.3042 3  290.9626664 -59516140441 339 0    40 238 0      C-13-H3C(O)CH3
  415604.4161  0.0024 -3.3042 3  290.9626664 -59516140441 239 0    40 338 0      C-13-H3C(O)CH3
  415604.4624  0.0024 -4.7985 3  290.9626664  59516140441 339 0    40 338 0      C-13-H3C(O)CH3
  415604.4624  0.0024 -4.7985 3  290.9626664  59516140441 239 0    40 238 0      C-13-H3C(O)CH3
  415617.1634  0.0373 -5.8091 3  496.9588348  595161404432420 4    422517 4      C-13-H3C(O)CH3
  415626.5443  0.0377 -5.8090 3  496.9586348  595161404432420 3    422517 3      C-13-H3C(O)CH3
  415635.7657  0.0284 -4.9187 3  901.5880A32  595161404641649 0    641450 0      C-13-H3C(O)CH3
  415635.7657  0.0284 -6.4854 3  901.5880A32  595161404641649 0    641550 0      C-13-H3C(O)CH3
  415635.7657  0.0284 -4.9244 3  901.5880A32  595161404641549 0    641550 0      C-13-H3C(O)CH3
  415701.0683  0.0146 -6.6066 3  285.0259260  595161404322210 4    321715 4      C-13-H3C(O)CH3
  415717.1876  0.0667 -6.2906 3  669.7400404  595161404502724 4    492821 4      C-13-H3C(O)CH3
  415723.8282  0.0660 -6.2906 3  669.7398404  595161404502724 3    492821 3      C-13-H3C(O)CH3
  415739.4812  0.0024 -3.8145 3  256.2947268 -595161404331222 3    321121 3      C-13-H3C(O)CH3
  415739.4812  0.0025 -3.8145 3  256.2947268 -595161404331122 4    321221 4      C-13-H3C(O)CH3
  415739.4812  0.0024 -3.8145 3  256.2947268 -595161404331122 3    321221 3      C-13-H3C(O)CH3
  415739.4812  0.0025 -3.8145 3  256.2947268 -595161404331222 4    321121 4      C-13-H3C(O)CH3
  415741.5673  0.0339 -4.9430 3  901.5746A32  595161404641649 1    641450 1      C-13-H3C(O)CH3
  415741.5673  0.0339 -6.0789 3  901.5746A32  595161404641649 1    641550 1      C-13-H3C(O)CH3
  415741.5673  0.0339 -4.9430 3  901.5746A32  595161404641549 1    641550 1      C-13-H3C(O)CH3
  415741.5673  0.0339 -6.0789 3  901.5746A32  595161404641549 1    641450 1      C-13-H3C(O)CH3
  415742.6932  0.0340 -4.9123 3  901.5744A32  595161404641549 2    641550 2      C-13-H3C(O)CH3
  415742.6932  0.0340 -4.9123 3  901.5744A32  595161404641649 2    641450 2      C-13-H3C(O)CH3
  415744.0064  0.0170 -6.6231 3  285.0258260  595161404322210 3    321715 3      C-13-H3C(O)CH3
  415756.7005  0.0128 -6.2865 3  285.0690520  595161404322210 0    321715 0      C-13-H3C(O)CH3
  415770.4935  0.0218 -6.1712 3  356.4659568  5951614043527 8 2    352411 2      C-13-H3C(O)CH3
  415780.9856  0.0095 -6.6215 3   47.8181232  5951614041411 4 1    13 6 7 1      C-13-H3C(O)CH3
  415785.4219  0.0198 -6.0833 3  356.4802568  5951614043527 8 0    352411 0      C-13-H3C(O)CH3
  415785.8501  0.0027 -3.5135 3  256.3126536 -595161404331122 1    321221 1      C-13-H3C(O)CH3
  415785.8501  0.0027 -3.5135 3  256.3126536 -595161404331222 1    321121 1      C-13-H3C(O)CH3
  415786.1023  0.0727 -6.2604 3 1440.4119620  595161404772750 3    772751 3      C-13-H3C(O)CH3
  415786.1023  0.0727 -6.5983 3 1440.4119620  595161404772850 3    772751 3      C-13-H3C(O)CH3
  415786.1023  0.0727 -6.2604 3 1440.4119620  595161404772850 3    772651 3      C-13-H3C(O)CH3
  415786.1023  0.0727 -6.5983 3 1440.4119620  595161404772750 3    772651 3      C-13-H3C(O)CH3
  415786.1113  0.0727 -6.1488 3 1440.4120620  595161404772850 4    772651 4      C-13-H3C(O)CH3
  415786.1113  0.0727 -6.0973 3 1440.4120620  595161404772750 4    772751 4      C-13-H3C(O)CH3
  415789.2473  0.0027 -3.5136 3  256.3108536 -595161404331122 2    321221 2      C-13-H3C(O)CH3
  415789.2473  0.0027 -3.5136 3  256.3108536 -595161404331222 2    321121 2      C-13-H3C(O)CH3
  415798.8993  0.0738 -5.8473 3 1440.3900C40  595161404772750 1    772751 1      C-13-H3C(O)CH3
  415798.8993  0.0738 -5.8473 3 1440.3900C40  595161404772850 1    772651 1      C-13-H3C(O)CH3
  415803.8806  0.0772 -5.8854 3 1440.3922C40  595161404772750 2    772751 2      C-13-H3C(O)CH3
  415803.8806  0.0772 -6.5217 3 1440.3922C40  595161404772750 2    772651 2      C-13-H3C(O)CH3
  415803.8806  0.0772 -6.5217 3 1440.3922C40  595161404772850 2    772751 2      C-13-H3C(O)CH3
  415803.8806  0.0772 -5.8854 3 1440.3922C40  595161404772850 2    772651 2      C-13-H3C(O)CH3
  415816.7048  0.0773 -5.9816 3 1440.3702C40  595161404772850 0    772751 0      C-13-H3C(O)CH3
  415816.7048  0.0773 -6.2521 3 1440.3702C40  595161404772850 0    772651 0      C-13-H3C(O)CH3
  415816.7048  0.0773 -5.9702 3 1440.3702C40  595161404772750 0    772651 0      C-13-H3C(O)CH3
  415816.7048  0.0773 -6.2741 3 1440.3702C40  595161404772750 0    772751 0      C-13-H3C(O)CH3
  415835.4100  0.0023 -3.5136 3  256.3288536 -595161404331122 0    321221 0      C-13-H3C(O)CH3
  415835.4100  0.0023 -3.5136 3  256.3288536 -595161404331222 0    321121 0      C-13-H3C(O)CH3
  415848.6234  0.0308 -5.7478 3  901.5610516  595161404641549 3    641450 3      C-13-H3C(O)CH3
  415848.6234  0.0308 -5.3629 3  901.5610516  595161404641549 3    641550 3      C-13-H3C(O)CH3
  415848.6234  0.0308 -5.7478 3  901.5610516  595161404641649 3    641550 3      C-13-H3C(O)CH3
  415848.6234  0.0308 -5.3629 3  901.5610516  595161404641649 3    641450 3      C-13-H3C(O)CH3
  415848.7913  0.0309 -5.9037 3  901.5609516  595161404641549 4    641450 4      C-13-H3C(O)CH3
  415848.7913  0.0309 -5.3120 3  901.5609516  595161404641549 4    641550 4      C-13-H3C(O)CH3
  415848.7913  0.0309 -5.3120 3  901.5609516  595161404641649 4    641450 4      C-13-H3C(O)CH3
  415848.7913  0.0309 -5.9037 3  901.5609516  595161404641649 4    641550 4      C-13-H3C(O)CH3
  415879.0014  0.0044 -4.1671 3  142.6427188 -5951614042316 8 4    2215 8 4      C-13-H3C(O)CH3
  415883.3247  0.0509 -6.1136 3  617.9369380  595161404473117 3    472820 3      C-13-H3C(O)CH3
  415920.6997  0.0137 -6.2907 3  285.0437520  595161404322210 2    321715 2      C-13-H3C(O)CH3
  415922.5137  0.0252 -6.4757 3  356.4132284  5951614043527 9 4    352412 4      C-13-H3C(O)CH3
  415968.8657  0.0353 -6.3827 3  414.7810616  595161404382810 2    382514 2      C-13-H3C(O)CH3
  416023.1021  0.0215 -6.3784 3  356.4337568  5951614043527 9 1    352412 1      C-13-H3C(O)CH3
  416035.9343  0.0443 -6.0822 3  599.2142380  595161404472621 3    462918 3      C-13-H3C(O)CH3
  416051.8607  0.0592 -6.5298 3  894.3212936  595161404583029 0    573126 0      C-13-H3C(O)CH3
  416098.2324  0.0105 -6.6216 3   47.8158232  5951614041411 4 2    13 6 7 2      C-13-H3C(O)CH3
  416140.9031  0.0236 -6.4727 3  356.4133284  5951614043527 9 3    352412 3      C-13-H3C(O)CH3
  416144.3949  0.0029 -5.4204 3  142.6588188  5951614042316 8 3    2215 8 3      C-13-H3C(O)CH3
  416144.5590  0.0400 -6.0842 3  599.2106380  595161404472621 4    462918 4      C-13-H3C(O)CH3
  416168.2356  0.0037 -4.1220 3  142.6542376 -5951614042316 8 1    2215 8 1      C-13-H3C(O)CH3
  416175.5837  0.0598 -6.5281 3  894.3240936  595161404583029 1    573126 1      C-13-H3C(O)CH3
  416175.6678  0.0243 -5.9964 3  863.1185A16  595161404631549 0    631350 0      C-13-H3C(O)CH3
  416175.6678  0.0243 -5.9964 3  863.1185A16  595161404631449 0    631450 0      C-13-H3C(O)CH3
  416175.6678  0.0243 -4.8924 3  863.1185A16  595161404631449 0    631350 0      C-13-H3C(O)CH3
  416175.6678  0.0243 -4.8924 3  863.1185A16  595161404631549 0    631450 0      C-13-H3C(O)CH3
  416184.2931  0.0753 -6.5276 3  894.3244936  595161404583029 2    573126 2      C-13-H3C(O)CH3
  416188.3625  0.2102 -6.6470 3 1865.7424D84  595161404863651 2    863452 2      C-13-H3C(O)CH3
  416188.3625  0.2102 -6.6470 3 1865.7424D84  595161404863551 2    863552 2      C-13-H3C(O)CH3
  416194.0820  0.2344 -6.5970 3 1865.7389D84  595161404863651 1    863452 1      C-13-H3C(O)CH3
  416234.9507  0.2382 -6.5764 3 1865.7365D84  595161404863651 0    863452 0      C-13-H3C(O)CH3
  416234.9507  0.2382 -6.5764 3 1865.7365D84  595161404863551 0    863552 0      C-13-H3C(O)CH3
  416240.4595  0.0220 -6.3850 3  356.4337568  5951614043527 8 1    352412 1      C-13-H3C(O)CH3
  416274.1272  0.0035 -4.2984 3  142.6580376 -5951614042316 8 2    2215 8 2      C-13-H3C(O)CH3
  416280.1134  0.0292 -4.8977 3  863.1005A16  595161404631549 1    631450 1      C-13-H3C(O)CH3
  416280.1134  0.0292 -4.8977 3  863.1005A16  595161404631449 1    631350 1      C-13-H3C(O)CH3
  416280.1134  0.0292 -5.9294 3  863.1005A16  595161404631449 1    631450 1      C-13-H3C(O)CH3
  416280.1134  0.0292 -5.9294 3  863.1005A16  595161404631549 1    631350 1      C-13-H3C(O)CH3
  416280.7657  0.0290 -4.9987 3  863.1002A16  595161404631549 2    631450 2      C-13-H3C(O)CH3
  416280.7657  0.0290 -5.4202 3  863.1002A16  595161404631549 2    631350 2      C-13-H3C(O)CH3
  416280.7657  0.0290 -4.9987 3  863.1002A16  595161404631449 2    631350 2      C-13-H3C(O)CH3
  416280.7657  0.0290 -5.4202 3  863.1002A16  595161404631449 2    631450 2      C-13-H3C(O)CH3
  416329.2865  0.0212 -6.1736 3  356.4385568  5951614043527 9 2    352412 2      C-13-H3C(O)CH3
  416358.8660  0.0478 -5.7798 3  599.2191760  595161404472621 2    462918 2      C-13-H3C(O)CH3
  416374.8913  0.0248 -5.7629 3  610.5576728  5951614044537 8 1    4438 6 1      C-13-H3C(O)CH3
  416385.3361  0.0287 -5.2911 3  863.0822508  595161404631449 3    631450 3      C-13-H3C(O)CH3
  416385.3361  0.0287 -5.7434 3  863.0822508  595161404631449 3    631350 3      C-13-H3C(O)CH3
  416385.3361  0.0287 -5.7434 3  863.0822508  595161404631549 3    631450 3      C-13-H3C(O)CH3
  416385.3361  0.0287 -5.2911 3  863.0822508  595161404631549 3    631350 3      C-13-H3C(O)CH3
  416385.4746  0.0287 -5.4721 3  863.0821508  595161404631549 4    631350 4      C-13-H3C(O)CH3
  416385.4746  0.0287 -5.4500 3  863.0821508  595161404631549 4    631450 4      C-13-H3C(O)CH3
  416385.4746  0.0287 -5.4721 3  863.0821508  595161404631449 4    631450 4      C-13-H3C(O)CH3
  416385.4746  0.0287 -5.4500 3  863.0821508  595161404631449 4    631350 4      C-13-H3C(O)CH3
  416428.1021  0.0196 -6.0822 3  356.4587568  5951614043527 9 0    352412 0      C-13-H3C(O)CH3
  416451.4848  0.0248 -5.7621 3  610.5372728  5951614044537 8 0    4438 7 0      C-13-H3C(O)CH3
  416451.4848  0.0248 -5.7621 3  610.5372728  5951614044537 9 0    4438 6 0      C-13-H3C(O)CH3
  416513.5847  0.0336 -5.7794 3  599.2191760  595161404472621 1    462918 1      C-13-H3C(O)CH3
  416561.7128  0.2165 -6.6526 3  714.2100412  595161404513021 3    503318 3      C-13-H3C(O)CH3
  416590.2666  0.0024 -6.5539 3  152.5075196  5951614042415 9 4    2314 9 4      C-13-H3C(O)CH3
  416590.7844  0.0292 -6.0645 3  610.5675364  5951614044537 8 4    4438 6 4      C-13-H3C(O)CH3
  416601.7771  0.0097 -4.8661 3   93.2239156  5951614041913 7 4    1810 8 4      C-13-H3C(O)CH3
  416641.0284  0.0283 -5.7623 3  610.5150728  5951614044537 9 1    4438 7 1      C-13-H3C(O)CH3
  416646.2305  0.0025 -3.7813 3  263.9037276 -595161404341024 3    331123 3      C-13-H3C(O)CH3
  416646.2305  0.0025 -3.7813 3  263.9037276 -595161404341124 3    331023 3      C-13-H3C(O)CH3
  416646.2305  0.0026 -3.7813 3  263.9037276 -595161404341124 4    331023 4      C-13-H3C(O)CH3
  416646.2305  0.0026 -3.7813 3  263.9037276 -595161404341024 4    331123 4      C-13-H3C(O)CH3
  416656.5894  0.0672 -6.0684 3 1394.4335612  595161404762650 3    762651 3      C-13-H3C(O)CH3
  416656.5894  0.0672 -6.0684 3 1394.4335612  595161404762750 3    762551 3      C-13-H3C(O)CH3
  416656.6180  0.0673 -6.3778 3 1394.4335612  595161404762750 4    762651 4      C-13-H3C(O)CH3
  416656.6180  0.0673 -6.2604 3 1394.4335612  595161404762750 4    762551 4      C-13-H3C(O)CH3
  416656.6180  0.0673 -6.2604 3 1394.4335612  595161404762650 4    762651 4      C-13-H3C(O)CH3
  416656.6180  0.0673 -6.3778 3 1394.4335612  595161404762650 4    762551 4      C-13-H3C(O)CH3
  416659.8744  0.0688 -6.0271 3 1394.4114C24  595161404762750 1    762651 1      C-13-H3C(O)CH3
  416659.8744  0.0688 -6.0014 3 1394.4114C24  595161404762650 1    762651 1      C-13-H3C(O)CH3
  416659.8744  0.0688 -6.0609 3 1394.4114C24  595161404762650 1    762551 1      C-13-H3C(O)CH3
  416659.8744  0.0688 -5.9718 3 1394.4114C24  595161404762750 1    762551 1      C-13-H3C(O)CH3
  416662.2938  0.0031 -5.6626 3  293.6731340  59516140442 241 3    41 240 3      C-13-H3C(O)CH3
  416662.2938  0.0031 -3.5738 3  293.6731340  59516140442 141 3    41 240 3      C-13-H3C(O)CH3
  416662.3097  0.0031 -3.5924 3  293.6732340  59516140442 241 4    41 140 4      C-13-H3C(O)CH3
  416662.3097  0.0031 -4.8739 3  293.6732340  59516140442 141 4    41 140 4      C-13-H3C(O)CH3
  416662.3427  0.0031 -3.5738 3  293.6731340 -59516140442 241 3    41 140 3      C-13-H3C(O)CH3
  416662.3427  0.0031 -3.5924 3  293.6732340 -59516140442 141 4    41 240 4      C-13-H3C(O)CH3
  416662.3427  0.0031 -5.6626 3  293.6731340 -59516140442 141 3    41 140 3      C-13-H3C(O)CH3
  416662.3427  0.0031 -4.8739 3  293.6732340 -59516140442 241 4    41 240 4      C-13-H3C(O)CH3
  416665.3201  0.0733 -5.7213 3 1394.4133C24  595161404762750 2    762651 2      C-13-H3C(O)CH3
  416665.3201  0.0733 -5.7213 3 1394.4133C24  595161404762650 2    762551 2      C-13-H3C(O)CH3
  416665.9529  0.0247 -5.7626 3  610.5472728  5951614044537 8 2    4438 6 2      C-13-H3C(O)CH3
  416668.6439  0.0702 -5.8223 3 1394.3913C24  595161404762750 0    762551 0      C-13-H3C(O)CH3
  416668.6439  0.0702 -6.3656 3 1394.3913C24  595161404762650 0    762551 0      C-13-H3C(O)CH3
  416668.6439  0.0702 -5.8223 3 1394.3913C24  595161404762650 0    762651 0      C-13-H3C(O)CH3
  416668.6439  0.0702 -6.3656 3 1394.3913C24  595161404762750 0    762651 0      C-13-H3C(O)CH3
  416681.5348  0.0036 -4.0662 3  293.6265680  59516140442 241 1    41 240 1      C-13-H3C(O)CH3
  416681.5348  0.0036 -4.0662 3  293.6265680  59516140442 141 1    41 140 1      C-13-H3C(O)CH3
  416681.5484  0.0034 -3.9416 3  293.6261680 -59516140442 141 2    41 240 2      C-13-H3C(O)CH3
  416681.5484  0.0036 -3.3446 3  293.6265680 -59516140442 141 1    41 240 1      C-13-H3C(O)CH3
  416681.5484  0.0036 -3.3446 3  293.6265680 -59516140442 241 1    41 140 1      C-13-H3C(O)CH3
  416681.5484  0.0034 -3.9416 3  293.6261680 -59516140442 241 2    41 140 2      C-13-H3C(O)CH3
  416681.6029  0.0034 -3.3729 3  293.6261680  59516140442 141 2    41 140 2      C-13-H3C(O)CH3
  416681.6029  0.0034 -3.3729 3  293.6261680  59516140442 241 2    41 240 2      C-13-H3C(O)CH3
  416691.1226  0.0028 -3.4802 3  263.9207552 -595161404341124 1    331023 1      C-13-H3C(O)CH3
  416691.1226  0.0028 -3.4802 3  263.9207552 -595161404341024 1    331123 1      C-13-H3C(O)CH3
  416693.5142  0.0028 -3.4803 3  263.9193552 -595161404341024 2    331123 2      C-13-H3C(O)CH3
  416693.5142  0.0028 -3.4803 3  263.9193552 -595161404341124 2    331023 2      C-13-H3C(O)CH3
  416699.9880  0.0205 -4.8149 3  825.2306A00  595161404621349 0    621250 0      C-13-H3C(O)CH3
  416699.9880  0.0205 -4.8149 3  825.2306A00  595161404621449 0    621350 0      C-13-H3C(O)CH3
  416700.7779  0.0029 -3.2786 3  293.5796680 -59516140442 241 0    41 140 0      C-13-H3C(O)CH3
  416700.7779  0.0029 -3.2786 3  293.5796680 -59516140442 141 0    41 240 0      C-13-H3C(O)CH3
  416700.7891  0.0029 -4.9317 3  293.5796680  59516140442 141 0    41 140 0      C-13-H3C(O)CH3
  416700.7891  0.0029 -4.9317 3  293.5796680  59516140442 241 0    41 240 0      C-13-H3C(O)CH3
  416724.5517  0.0031 -6.6894 3  152.5042392  5951614042415 9 1    2314 9 1      C-13-H3C(O)CH3
  416738.2629  0.0024 -3.4803 3  263.9362552 -595161404341024 0    331123 0      C-13-H3C(O)CH3
  416738.2629  0.0024 -3.4803 3  263.9362552 -595161404341124 0    331023 0      C-13-H3C(O)CH3
  416747.8424  0.0296 -6.0633 3  610.5448364  5951614044537 8 3    4438 6 3      C-13-H3C(O)CH3
  416781.3438  0.0381 -5.7770 3  599.2258760  595161404472621 0    462918 0      C-13-H3C(O)CH3
  416798.1011  0.0252 -6.5926 3  825.2083A00  595161404621449 1    621250 1      C-13-H3C(O)CH3
  416798.1011  0.0252 -4.8166 3  825.2083A00  595161404621349 1    621250 1      C-13-H3C(O)CH3
  416798.1011  0.0252 -6.5926 3  825.2083A00  595161404621349 1    621350 1      C-13-H3C(O)CH3
  416798.1011  0.0252 -4.8166 3  825.2083A00  595161404621449 1    621350 1      C-13-H3C(O)CH3
  416798.3786  0.0248 -4.8115 3  825.2081A00  595161404621449 2    621350 2      C-13-H3C(O)CH3
  416798.3786  0.0248 -4.8115 3  825.2081A00  595161404621349 2    621250 2      C-13-H3C(O)CH3
  416824.0523  0.0259 -5.7614 3  610.5244728  5951614044537 9 2    4438 7 2      C-13-H3C(O)CH3
  416855.8049  0.0313 -6.0639 3  610.5250364  5951614044537 9 3    4438 7 3      C-13-H3C(O)CH3
  416896.6082  0.0266 -5.1350 3  825.1857500  595161404621449 3    621350 3      C-13-H3C(O)CH3
  416896.6082  0.0266 -6.3640 3  825.1857500  595161404621449 3    621250 3      C-13-H3C(O)CH3
  416896.6082  0.0266 -6.3640 3  825.1857500  595161404621349 3    621350 3      C-13-H3C(O)CH3
  416896.6082  0.0266 -5.1350 3  825.1857500  595161404621349 3    621250 3      C-13-H3C(O)CH3
  416896.7024  0.0266 -5.2071 3  825.1857500  595161404621349 4    621350 4      C-13-H3C(O)CH3
  416896.7024  0.0266 -5.8087 3  825.1857500  595161404621449 4    621350 4      C-13-H3C(O)CH3
  416896.7024  0.0266 -5.8087 3  825.1857500  595161404621349 4    621250 4      C-13-H3C(O)CH3
  416896.7024  0.0266 -5.2071 3  825.1857500  595161404621449 4    621250 4      C-13-H3C(O)CH3
  416980.3704  0.3979 -6.4627 3 1241.4303A80  595161404674126 2    673829 2      C-13-H3C(O)CH3
  416986.8074  0.0293 -6.2963 3  428.6377632  595161404392713 1    382810 1      C-13-H3C(O)CH3
  416997.0439  0.4189 -6.4621 3 1241.4234A80  595161404674126 1    673829 1      C-13-H3C(O)CH3
  417012.0370  0.0329 -6.0627 3  610.5022364  5951614044537 9 4    4438 7 4      C-13-H3C(O)CH3
  417079.2601  0.0382 -5.8014 3  641.4537776  595161404483118 0    482821 0      C-13-H3C(O)CH3
  417138.2165  0.4252 -6.4641 3 1241.4223A80  595161404674126 0    673829 0      C-13-H3C(O)CH3
  417143.2908  0.8390 -6.6562 3 1396.6914B44  595161404714427 0    714130 0      C-13-H3C(O)CH3
  417154.7866  0.0087 -6.2726 3  267.2790260  595161404321616 3    321319 3      C-13-H3C(O)CH3
  417155.3722  0.0093 -6.2726 3  267.2790260  595161404321616 4    321319 4      C-13-H3C(O)CH3
  417161.9526  0.0073 -4.8255 3   93.2228156  5951614041913 7 3    1810 8 3      C-13-H3C(O)CH3
  417166.0213  0.0083 -5.9711 3  267.2980520  595161404321616 2    321319 2      C-13-H3C(O)CH3
  417176.4880  0.0489 -6.4807 3  428.6246316  595161404392713 3    382810 3      C-13-H3C(O)CH3
  417205.4233  0.0164 -4.9443 3  428.6342632  595161404392713 2    382811 2      C-13-H3C(O)CH3
  417210.7373  0.0172 -5.7865 3  787.9249984  595161404611249 0    611250 0      C-13-H3C(O)CH3
  417210.7373  0.0172 -4.8069 3  787.9249984  595161404611349 0    611250 0      C-13-H3C(O)CH3
  417210.7373  0.0172 -5.7865 3  787.9249984  595161404611349 0    611150 0      C-13-H3C(O)CH3
  417210.7373  0.0172 -4.8069 3  787.9249984  595161404611249 0    611150 0      C-13-H3C(O)CH3
  417223.5056  0.0144 -4.9390 3  428.6538632  595161404392713 0    382810 0      C-13-H3C(O)CH3
  417239.3023  0.0083 -5.9706 3  267.3005520  595161404321616 1    321319 1      C-13-H3C(O)CH3
  417250.5813  0.0075 -5.9698 3  267.3195520  595161404321616 0    321319 0      C-13-H3C(O)CH3
  417296.6055  0.0223 -6.2033 3  787.8989984  595161404611349 1    611250 1      C-13-H3C(O)CH3
  417296.6055  0.0223 -4.7794 3  787.8989984  595161404611349 1    611150 1      C-13-H3C(O)CH3
  417296.6055  0.0223 -4.7794 3  787.8989984  595161404611249 1    611250 1      C-13-H3C(O)CH3
  417296.6055  0.0223 -6.2033 3  787.8989984  595161404611249 1    611150 1      C-13-H3C(O)CH3
  417296.6196  0.0218 -4.8191 3  787.8987984  595161404611249 2    611150 2      C-13-H3C(O)CH3
  417296.6196  0.0218 -5.6823 3  787.8987984  595161404611249 2    611250 2      C-13-H3C(O)CH3
  417296.6196  0.0218 -4.8191 3  787.8987984  595161404611349 2    611250 2      C-13-H3C(O)CH3
  417296.6196  0.0218 -5.6823 3  787.8987984  595161404611349 2    611150 2      C-13-H3C(O)CH3
  417329.5289  0.0051 -6.6862 3   45.8766116  5951614041410 5 3    13 5 8 3      C-13-H3C(O)CH3
  417347.5980  0.1882 -6.5972 3 1814.6562D68  595161404853451 2    853452 2      C-13-H3C(O)CH3
  417347.5980  0.1882 -6.5972 3 1814.6562D68  595161404853551 2    853352 2      C-13-H3C(O)CH3
  417351.2386  0.0188 -5.2416 3  428.6024316  595161404392713 4    382811 4      C-13-H3C(O)CH3
  417351.6459  0.2083 -6.6944 3 1814.6526D68  595161404853551 1    853352 1      C-13-H3C(O)CH3
  417351.6459  0.2083 -6.6944 3 1814.6526D68  595161404853451 1    853452 1      C-13-H3C(O)CH3
  417359.8003  0.0706 -6.6541 3  617.9478760  595161404473116 2    472820 2      C-13-H3C(O)CH3
  417360.2432  0.0077 -4.5409 3   93.1992312  5951614041913 7 1    1810 8 1      C-13-H3C(O)CH3
  417362.8519  0.0292 -6.1235 3  622.4247388  595161404482622 3    472919 3      C-13-H3C(O)CH3
  417363.0147  0.0086 -4.6935 3  352.6601584  595161404362215 2    352312 2      C-13-H3C(O)CH3
  417363.3533  0.7696 -6.6564 3 1396.6957B44  595161404714427 2    714130 2      C-13-H3C(O)CH3
  417371.8621  0.0173 -5.2651 3  428.6180316  595161404392713 3    382811 3      C-13-H3C(O)CH3
  417376.5867  0.0089 -4.9952 3  352.6389292  595161404362215 3    352312 3      C-13-H3C(O)CH3
  417379.2048  0.0096 -4.9952 3  352.6386292  595161404362215 4    352312 4      C-13-H3C(O)CH3
  417382.5903  0.0245 -5.0904 3  787.8727492  595161404611249 3    611250 3      C-13-H3C(O)CH3
  417382.5903  0.0245 -6.2939 3  787.8727492  595161404611349 3    611250 3      C-13-H3C(O)CH3
  417382.5903  0.0245 -5.0904 3  787.8727492  595161404611349 3    611150 3      C-13-H3C(O)CH3
  417382.5903  0.0245 -6.2939 3  787.8727492  595161404611249 3    611150 3      C-13-H3C(O)CH3
  417382.6245  0.0245 -5.1404 3  787.8726492  595161404611249 4    611250 4      C-13-H3C(O)CH3
  417382.6245  0.0245 -5.8569 3  787.8726492  595161404611349 4    611250 4      C-13-H3C(O)CH3
  417382.6245  0.0245 -5.1404 3  787.8726492  595161404611349 4    611150 4      C-13-H3C(O)CH3
  417382.6245  0.0245 -5.8569 3  787.8726492  595161404611249 4    611150 4      C-13-H3C(O)CH3
  417394.5390  0.2126 -6.5356 3 1814.6475D68  595161404853551 0    853452 0      C-13-H3C(O)CH3
  417394.5390  0.2126 -6.5552 3 1814.6475D68  595161404853451 0    853352 0      C-13-H3C(O)CH3
  417399.6447  0.0085 -6.2722 3  267.2790260  595161404321716 3    321419 3      C-13-H3C(O)CH3
  417399.6825  0.0091 -6.2722 3  267.2790260  595161404321716 4    321419 4      C-13-H3C(O)CH3
  417409.6180  0.0274 -6.1236 3  622.4232388  595161404482622 4    472919 4      C-13-H3C(O)CH3
  417413.6774  0.0083 -5.9707 3  267.2980520  595161404321716 2    321419 2      C-13-H3C(O)CH3
  417427.4562  0.0336 -5.8078 3  641.4430776  595161404483118 1    482821 1      C-13-H3C(O)CH3
  417445.0093  0.0110 -5.7921 3  389.3068616  595161404382217 0    381920 0      C-13-H3C(O)CH3
  417449.1813  0.0145 -4.9384 3  428.6536632  595161404392712 0    382811 0      C-13-H3C(O)CH3
  417452.5487  0.0157 -4.9580 3  428.6222632  595161404392713 1    382811 1      C-13-H3C(O)CH3
  417472.4074  0.0126 -5.7923 3  389.2781616  595161404382217 2    381920 2      C-13-H3C(O)CH3
  417479.2892  0.0083 -5.9702 3  267.3005520  595161404321716 1    321419 1      C-13-H3C(O)CH3
  417485.8895  0.0654 -6.5247 3 1348.9825C08  595161404752650 0    752451 0      C-13-H3C(O)CH3
  417485.8895  0.0654 -5.6923 3 1348.9825C08  595161404752650 0    752551 0      C-13-H3C(O)CH3
  417485.8895  0.0654 -6.5247 3 1348.9825C08  595161404752550 0    752551 0      C-13-H3C(O)CH3
  417485.8895  0.0654 -5.6923 3 1348.9825C08  595161404752550 0    752451 0      C-13-H3C(O)CH3
  417487.4125  0.0664 -6.0420 3 1349.0024C08  595161404752650 1    752551 1      C-13-H3C(O)CH3
  417487.4125  0.0664 -5.8472 3 1349.0024C08  595161404752550 1    752551 1      C-13-H3C(O)CH3
  417487.4125  0.0664 -6.0420 3 1349.0024C08  595161404752550 1    752451 1      C-13-H3C(O)CH3
  417487.4126  0.0664 -5.8472 3 1349.0024C08  595161404752650 1    752451 1      C-13-H3C(O)CH3
  417493.1166  0.0712 -5.8356 3 1349.0040C08  595161404752650 2    752551 2      C-13-H3C(O)CH3
  417493.1166  0.0712 -6.0608 3 1349.0040C08  595161404752550 2    752551 2      C-13-H3C(O)CH3
  417493.1166  0.0712 -6.0608 3 1349.0040C08  595161404752650 2    752451 2      C-13-H3C(O)CH3
  417493.1166  0.0712 -5.8356 3 1349.0040C08  595161404752550 2    752451 2      C-13-H3C(O)CH3
  417493.4104  0.0075 -5.9694 3  267.3195520  595161404321716 0    321419 0      C-13-H3C(O)CH3
  417494.6897  0.0627 -5.9766 3 1349.0240604  595161404752550 3    752451 3      C-13-H3C(O)CH3
  417494.6897  0.0627 -5.9766 3 1349.0240604  595161404752650 3    752551 3      C-13-H3C(O)CH3
  417494.7392  0.0627 -5.9898 3 1349.0240604  595161404752650 4    752451 4      C-13-H3C(O)CH3
  417494.7392  0.0627 -5.9898 3 1349.0240604  595161404752550 4    752551 4      C-13-H3C(O)CH3
  417509.1216  0.0064 -6.4144 3   45.8288232  5951614041410 5 1    13 5 8 1      C-13-H3C(O)CH3
  417519.5815  0.0148 -4.9441 3  428.6563632  595161404392712 2    382810 2      C-13-H3C(O)CH3
  417519.6388  0.0061 -4.6920 3  352.6802584  595161404362215 0    352312 0      C-13-H3C(O)CH3
  417525.1247  0.9575 -6.4501 3 1213.0525A64  595161404664224 0    663927 0      C-13-H3C(O)CH3
  417530.0128  0.0075 -6.3894 3   47.7702232  5951614041411 4 0    13 6 7 0      C-13-H3C(O)CH3
  417531.0858  0.0067 -4.6927 3  352.6591584  595161404362215 1    352312 1      C-13-H3C(O)CH3
  417539.9457  0.0149 -4.9582 3  428.6377632  595161404392712 1    382810 1      C-13-H3C(O)CH3
  417540.1800  0.0119 -5.7920 3  389.2816616  595161404382217 1    381920 1      C-13-H3C(O)CH3
  417553.3013  0.0342 -5.8216 3  622.4313776  595161404482622 2    472919 2      C-13-H3C(O)CH3
  417567.0889  0.0131 -6.0930 3  389.2529308  595161404382217 4    381920 4      C-13-H3C(O)CH3
  417568.5341  0.0129 -6.0930 3  389.2529308  595161404382217 3    381920 3      C-13-H3C(O)CH3
  417584.0693  0.0421 -5.8139 3  641.4397776  595161404483118 2    482821 2      C-13-H3C(O)CH3
  417611.9530  0.0307 -5.8225 3  622.4328776  595161404482622 1    472919 1      C-13-H3C(O)CH3
  417623.3019  0.0026 -3.7549 3  270.9474284 -59516140435 926 4    341025 4      C-13-H3C(O)CH3
  417623.3019  0.0026 -3.7549 3  270.9474284 -595161404351026 4    34 925 4      C-13-H3C(O)CH3
  417623.3019  0.0026 -5.7988 3  270.9474284 -59516140435 926 3    34 925 3      C-13-H3C(O)CH3
  417623.3019  0.0026 -3.7521 3  270.9474284 -595161404351026 3    34 925 3      C-13-H3C(O)CH3
  417623.3265  0.0026 -5.8796 3  270.9474284  59516140435 926 4    34 925 4      C-13-H3C(O)CH3
  417623.3265  0.0026 -5.8796 3  270.9474284  595161404351026 4    341025 4      C-13-H3C(O)CH3
  417623.4062  0.0026 -3.7556 3  270.9474284  59516140435 926 3    341025 3      C-13-H3C(O)CH3
  417651.3952  0.0070 -6.4085 3   45.8275232  5951614041410 5 2    13 5 8 2      C-13-H3C(O)CH3
  417667.4776  0.0029 -4.5259 3  270.9627568 -59516140435 926 1    341025 1      C-13-H3C(O)CH3
  417667.4776  0.0029 -3.4888 3  270.9627568 -595161404351026 1    341025 1      C-13-H3C(O)CH3
  417667.4834  0.0029 -4.6676 3  270.9627568  595161404351026 1    34 925 1      C-13-H3C(O)CH3
  417667.4834  0.0029 -3.4778 3  270.9627568  59516140435 926 1    34 925 1      C-13-H3C(O)CH3
  417669.1390  0.0029 -3.4552 3  270.9616568  59516140435 926 2    341025 2      C-13-H3C(O)CH3
  417669.1390  0.0029 -3.4552 3  270.9616568  595161404351026 2    34 925 2      C-13-H3C(O)CH3
  417669.1868  0.0029 -5.4395 3  270.9616568 -59516140435 926 2    34 925 2      C-13-H3C(O)CH3
  417669.1868  0.0029 -5.4395 3  270.9616568 -595161404351026 2    341025 2      C-13-H3C(O)CH3
  417671.5473  0.0161 -5.2645 3  428.6246316  595161404392712 3    382810 3      C-13-H3C(O)CH3
  417675.6152  0.0077 -4.5391 3   93.1915312  5951614041913 7 2    1810 8 2      C-13-H3C(O)CH3
  417692.1341  0.0153 -5.2418 3  428.6401316  595161404392712 4    382810 4      C-13-H3C(O)CH3
  417709.9776  0.0148 -5.6042 3  751.2020968  595161404601149 0    601150 0      C-13-H3C(O)CH3
  417709.9776  0.0148 -5.6042 3  751.2020968  595161404601249 0    601050 0      C-13-H3C(O)CH3
  417709.9776  0.0148 -4.7827 3  751.2020968  595161404601149 0    601050 0      C-13-H3C(O)CH3
  417709.9776  0.0148 -4.7827 3  751.2020968  595161404601249 0    601150 0      C-13-H3C(O)CH3
  417713.1324  0.0024 -5.3513 3  270.9770568  595161404351026 0    341025 0      C-13-H3C(O)CH3
  417713.1324  0.0024 -5.3513 3  270.9770568  59516140435 926 0    34 925 0      C-13-H3C(O)CH3
  417713.1623  0.0024 -3.4562 3  270.9770568 -595161404351026 0    34 925 0      C-13-H3C(O)CH3
  417713.1623  0.0024 -3.4562 3  270.9770568 -59516140435 926 0    341025 0      C-13-H3C(O)CH3
  417753.3062  0.0324 -6.1340 3  641.4290388  595161404483118 4    482821 4      C-13-H3C(O)CH3
  417766.0109  0.7796 -6.6568 3 1396.6823B44  595161404714427 1    714130 1      C-13-H3C(O)CH3
  417776.5645  0.0202 -5.6008 3  751.1729968  595161404601149 2    601050 2      C-13-H3C(O)CH3
  417776.5645  0.0202 -5.6008 3  751.1729968  595161404601249 2    601150 2      C-13-H3C(O)CH3
  417776.5645  0.0202 -4.7829 3  751.1729968  595161404601249 2    601050 2      C-13-H3C(O)CH3
  417776.5645  0.0202 -4.7829 3  751.1729968  595161404601149 2    601150 2      C-13-H3C(O)CH3
  417776.6978  0.0207 -4.8427 3  751.1732968  595161404601149 1    601150 1      C-13-H3C(O)CH3
  417776.6978  0.0207 -4.8427 3  751.1732968  595161404601249 1    601050 1      C-13-H3C(O)CH3
  417776.6978  0.0207 -5.3346 3  751.1732968  595161404601149 1    601050 1      C-13-H3C(O)CH3
  417776.6978  0.0207 -5.3346 3  751.1732968  595161404601249 1    601150 1      C-13-H3C(O)CH3
  417777.4007  0.0325 -5.8217 3  622.4401776  595161404482622 0    472919 0      C-13-H3C(O)CH3
  417786.8065  0.0044 -3.5967 3  295.7862348 -59516140443 143 4    42 142 4      C-13-H3C(O)CH3
  417786.8065  0.0044 -3.5967 3  295.7862348 -59516140443 043 4    42 042 4      C-13-H3C(O)CH3
  417786.8065  0.0044 -5.2211 3  295.7862348 -59516140443 043 3    42 142 3      C-13-H3C(O)CH3
  417786.8065  0.0044 -5.2211 3  295.7862348 -59516140443 143 3    42 042 3      C-13-H3C(O)CH3
  417786.8172  0.0044 -4.5317 3  295.7862348  59516140443 143 4    42 042 4      C-13-H3C(O)CH3
  417786.8172  0.0044 -4.5317 3  295.7862348  59516140443 043 4    42 142 4      C-13-H3C(O)CH3
  417786.8252  0.0044 -3.5583 3  295.7862348  59516140443 043 3    42 042 3      C-13-H3C(O)CH3
  417786.8252  0.0044 -3.5583 3  295.7862348  59516140443 143 3    42 142 3      C-13-H3C(O)CH3
  417791.4436  0.0056 -3.2538 3  295.7192696  59516140443 043 1    42 042 1      C-13-H3C(O)CH3
  417791.4436  0.0056 -3.2538 3  295.7192696  59516140443 143 1    42 142 1      C-13-H3C(O)CH3
  417791.5582  0.0053 -5.9193 3  295.7188696 -59516140443 043 2    42 142 2      C-13-H3C(O)CH3
  417791.5582  0.0056 -5.1089 3  295.7192696 -59516140443 143 1    42 042 1      C-13-H3C(O)CH3
  417791.5582  0.0053 -5.9193 3  295.7188696 -59516140443 143 2    42 042 2      C-13-H3C(O)CH3
  417791.5582  0.0056 -5.1089 3  295.7192696 -59516140443 043 1    42 142 1      C-13-H3C(O)CH3
  417791.5940  0.0053 -3.2487 3  295.7188696  59516140443 043 2    42 042 2      C-13-H3C(O)CH3
  417791.5940  0.0053 -3.2487 3  295.7188696  59516140443 143 2    42 142 2      C-13-H3C(O)CH3
  417796.1939  0.0045 -3.2500 3  295.6520696  59516140443 143 0    42 142 0      C-13-H3C(O)CH3
  417796.1939  0.0045 -5.5180 3  295.6520696  59516140443 043 0    42 142 0      C-13-H3C(O)CH3
  417796.2732  0.0045 -3.2500 3  295.6520696 -59516140443 043 0    42 042 0      C-13-H3C(O)CH3
  417796.2732  0.0045 -5.5180 3  295.6520696 -59516140443 143 0    42 042 0      C-13-H3C(O)CH3
  417843.3243  0.0225 -5.2796 3  751.1440484  595161404601149 4    601050 4      C-13-H3C(O)CH3
  417843.3243  0.0225 -5.3718 3  751.1440484  595161404601249 4    601050 4      C-13-H3C(O)CH3
  417843.3243  0.0225 -5.2796 3  751.1440484  595161404601249 4    601150 4      C-13-H3C(O)CH3
  417843.3243  0.0225 -5.3718 3  751.1440484  595161404601149 4    601150 4      C-13-H3C(O)CH3
  417843.3661  0.0225 -5.0362 3  751.1441484  595161404601249 3    601050 3      C-13-H3C(O)CH3
  417843.3661  0.0225 -6.5231 3  751.1441484  595161404601249 3    601150 3      C-13-H3C(O)CH3
  417843.3661  0.0225 -5.0362 3  751.1441484  595161404601149 3    601150 3      C-13-H3C(O)CH3
  417843.3661  0.0225 -6.5231 3  751.1441484  595161404601149 3    601050 3      C-13-H3C(O)CH3
  417866.9214  0.0466 -6.4790 3  428.6180316  595161404392712 3    382811 3      C-13-H3C(O)CH3
  417920.1906  0.0047 -3.9210 3  142.6588188  5951614042316 7 3    2215 8 3      C-13-H3C(O)CH3
  417939.0615  0.0172 -5.1538 3  483.0132664  595161404413012 0    4031 9 0      C-13-H3C(O)CH3
  417939.3087  1.1005 -6.5337 3 1286.0247A96  595161404684325 0    684028 0      C-13-H3C(O)CH3
  417940.7380  0.0029 -4.0480 3  219.6541236  595161404291614 4    281513 4      C-13-H3C(O)CH3
  417942.7747  0.0172 -5.1538 3  483.0132664  595161404413011 0    403110 0      C-13-H3C(O)CH3
  417947.2824  0.0037 -4.0480 3  219.6538236  595161404291614 3    281513 3      C-13-H3C(O)CH3
  417966.0818  0.2054 -6.4257 3  714.1849824  595161404513021 2    503318 2      C-13-H3C(O)CH3
  417989.0626  0.0177 -5.1531 3  482.9989664  595161404413012 2    403110 2      C-13-H3C(O)CH3
  418005.6871  0.0266 -6.2934 3  428.6222632  595161404392712 1    382811 1      C-13-H3C(O)CH3
  418006.2783  0.0033 -3.7470 3  219.6700472 -595161404291614 1    281513 1      C-13-H3C(O)CH3
  418066.2308  0.0089 -4.1371 3  179.2069212  595161404261611 4    251510 4      C-13-H3C(O)CH3
  418088.2325  0.0073 -4.1368 3  179.2067212  595161404261611 3    251510 3      C-13-H3C(O)CH3
  418092.8384  0.0032 -3.7474 3  219.6620472 -595161404291614 2    281513 2      C-13-H3C(O)CH3
  418093.7746  0.0184 -5.1540 3  483.0066664  595161404413011 1    4031 9 1      C-13-H3C(O)CH3
  418127.2324  0.0462 -6.1048 3  641.4291388  595161404483118 3    482821 3      C-13-H3C(O)CH3
  418134.4649  0.0175 -5.1535 3  482.9814664  595161404413012 1    403110 1      C-13-H3C(O)CH3
  418139.6061  0.0197 -5.4544 3  482.9922332  595161404413012 3    4031 9 3      C-13-H3C(O)CH3
  418153.0471  0.0030 -3.7475 3  219.6781472 -595161404291614 0    281513 0      C-13-H3C(O)CH3
  418170.9751  0.0027 -3.6038 3  142.6621376 -5951614042316 7 0    2215 8 0      C-13-H3C(O)CH3
  418174.2369  0.0065 -4.5297 3   93.1674312  5951614041913 7 0    1810 8 0      C-13-H3C(O)CH3
  418182.3049  0.0192 -5.4539 3  482.9669332  595161404413012 4    403110 4      C-13-H3C(O)CH3
  418194.7948  0.0492 -6.3118 3  807.2453888  595161404552927 0    543024 0      C-13-H3C(O)CH3
  418199.8143  0.0133 -4.6846 3  715.0623952  595161404591049 0    591050 0      C-13-H3C(O)CH3
  418199.8143  0.0133 -4.6846 3  715.0623952  595161404591149 0    59 950 0      C-13-H3C(O)CH3
  418223.2017  0.0183 -5.1534 3  483.0204664  595161404413011 2    4031 9 2      C-13-H3C(O)CH3
  418239.2761  0.0198 -4.6923 3  715.0315952  595161404591149 2    591050 2      C-13-H3C(O)CH3
  418239.2761  0.0198 -6.4250 3  715.0315952  595161404591149 2    59 950 2      C-13-H3C(O)CH3
  418239.2761  0.0198 -4.6923 3  715.0315952  595161404591049 2    59 950 2      C-13-H3C(O)CH3
  418239.2761  0.0198 -6.4250 3  715.0315952  595161404591049 2    591050 2      C-13-H3C(O)CH3
  418239.4450  0.0202 -4.6860 3  715.0318952  595161404591049 1    59 950 1      C-13-H3C(O)CH3
  418239.4450  0.0202 -4.6860 3  715.0318952  595161404591149 1    591050 1      C-13-H3C(O)CH3
  418243.7605  0.0071 -3.8357 3  179.2117424 -595161404261611 1    251510 1      C-13-H3C(O)CH3
  418269.8681  0.0621 -5.6277 3 1304.1450B92  595161404742450 0    742351 0      C-13-H3C(O)CH3
  418269.8681  0.0621 -5.6277 3 1304.1450B92  595161404742550 0    742451 0      C-13-H3C(O)CH3
  418269.8681  0.0621 -6.3628 3 1304.1450B92  595161404742450 0    742451 0      C-13-H3C(O)CH3
  418269.8681  0.0621 -6.3628 3 1304.1450B92  595161404742550 0    742351 0      C-13-H3C(O)CH3
  418274.3703  0.1228 -6.3961 3  714.1828824  595161404513021 1    503318 1      C-13-H3C(O)CH3
  418278.8264  0.0204 -5.1290 3  715.0010476  595161404591149 4    59 950 4      C-13-H3C(O)CH3
  418278.8264  0.0204 -5.1290 3  715.0010476  595161404591049 4    591050 4      C-13-H3C(O)CH3
  418278.8264  0.0204 -5.5350 3  715.0010476  595161404591049 4    59 950 4      C-13-H3C(O)CH3
  418278.8264  0.0204 -5.5350 3  715.0010476  595161404591149 4    591050 4      C-13-H3C(O)CH3
  418278.9580  0.0204 -5.0223 3  715.0010476  595161404591149 3    59 950 3      C-13-H3C(O)CH3
  418278.9580  0.0204 -6.0722 3  715.0010476  595161404591149 3    591050 3      C-13-H3C(O)CH3
  418278.9580  0.0204 -6.0722 3  715.0010476  595161404591049 3    59 950 3      C-13-H3C(O)CH3
  418278.9580  0.0204 -5.0223 3  715.0010476  595161404591049 3    591050 3      C-13-H3C(O)CH3
  418282.7823  0.0655 -5.7425 3 1304.1641B92  595161404742450 1    742351 1      C-13-H3C(O)CH3
  418282.7823  0.0655 -6.0082 3 1304.1641B92  595161404742450 1    742451 1      C-13-H3C(O)CH3
  418282.7823  0.0655 -6.0082 3 1304.1641B92  595161404742550 1    742351 1      C-13-H3C(O)CH3
  418282.7823  0.0655 -5.7425 3 1304.1641B92  595161404742550 1    742451 1      C-13-H3C(O)CH3
  418288.5462  0.0701 -5.6991 3 1304.1654B92  595161404742550 2    742351 2      C-13-H3C(O)CH3
  418288.5462  0.0701 -6.1017 3 1304.1654B92  595161404742550 2    742451 2      C-13-H3C(O)CH3
  418288.5462  0.0701 -5.6991 3 1304.1654B92  595161404742450 2    742451 2      C-13-H3C(O)CH3
  418288.5462  0.0701 -6.1017 3 1304.1654B92  595161404742450 2    742351 2      C-13-H3C(O)CH3
  418301.5218  0.0588 -6.0919 3 1304.1846596  595161404742550 3    742451 3      C-13-H3C(O)CH3
  418301.5218  0.0588 -6.2321 3 1304.1846596  595161404742450 3    742451 3      C-13-H3C(O)CH3
  418301.5218  0.0588 -6.0919 3 1304.1846596  595161404742450 3    742351 3      C-13-H3C(O)CH3
  418301.5218  0.0588 -6.2321 3 1304.1846596  595161404742550 3    742351 3      C-13-H3C(O)CH3
  418301.5932  0.0588 -5.9090 3 1304.1847596  595161404742550 4    742451 4      C-13-H3C(O)CH3
  418301.5932  0.0588 -6.0646 3 1304.1847596  595161404742450 4    742451 4      C-13-H3C(O)CH3
  418301.5932  0.0588 -6.2728 3 1304.1847596  595161404742450 4    742351 4      C-13-H3C(O)CH3
  418322.9744  0.0078 -3.7033 3  142.6580376  5951614042316 7 2    2215 8 2      C-13-H3C(O)CH3
  418327.9629  0.0058 -6.3804 3   45.7798232  5951614041410 5 0    13 5 8 0      C-13-H3C(O)CH3
  418373.8078  0.0214 -5.4546 3  483.0138332  595161404413011 4    4031 9 4      C-13-H3C(O)CH3
  418375.7396  0.0483 -6.3100 3  807.2409888  595161404552927 1    543024 1      C-13-H3C(O)CH3
  418396.9288  0.0376 -6.7048 3  457.8560324  595161404402912 4    402614 4      C-13-H3C(O)CH3
  418413.6028  0.0719 -6.3092 3  807.2395888  595161404552927 2    543024 2      C-13-H3C(O)CH3
  418414.4725  0.0187 -5.4541 3  482.9885332  595161404413011 3    403110 3      C-13-H3C(O)CH3
  418428.4383  0.0238 -5.5638 3  575.1957712  595161404443510 0    4336 7 0      C-13-H3C(O)CH3
  418428.4391  0.0238 -5.5638 3  575.1957712  5951614044435 9 0    4336 8 0      C-13-H3C(O)CH3
  418443.4320  0.0243 -5.5645 3  575.2075712  5951614044435 9 1    4336 7 1      C-13-H3C(O)CH3
  418462.7884  0.1670 -6.5370 3 1764.1292D52  595161404843451 2    843252 2      C-13-H3C(O)CH3
  418462.7884  0.1670 -6.5370 3 1764.1292D52  595161404843351 2    843352 2      C-13-H3C(O)CH3
  418465.1800  0.1831 -6.5722 3 1764.1256D52  595161404843351 1    843252 1      C-13-H3C(O)CH3
  418465.1800  0.1831 -6.5722 3 1764.1256D52  595161404843451 1    843352 1      C-13-H3C(O)CH3
  418501.1321  0.0087 -3.7640 3  142.6542376  5951614042316 7 1    2215 8 1      C-13-H3C(O)CH3
  418509.0344  0.1880 -6.4198 3 1764.1178D52  595161404843451 0    843252 0      C-13-H3C(O)CH3
  418509.0344  0.1880 -6.4198 3 1764.1178D52  595161404843351 0    843352 0      C-13-H3C(O)CH3
  418541.2106  0.0066 -3.8346 3  179.1979424 -595161404261611 2    251510 2      C-13-H3C(O)CH3
  418544.6070  0.0274 -6.2897 3  457.8675648  595161404402912 1    402614 1      C-13-H3C(O)CH3
  418581.4126  1.2133 -6.4532 3 1213.0452A64  595161404664224 2    663927 2      C-13-H3C(O)CH3
  418596.0150  0.0720 -6.6084 3  807.2350444  595161404552927 4    543024 4      C-13-H3C(O)CH3
  418597.7035  0.0718 -6.6084 3  807.2349444  595161404552927 3    543024 3      C-13-H3C(O)CH3
  418643.6958  0.0026 -3.7337 3  277.4339292 -59516140436 828 3    35 927 3      C-13-H3C(O)CH3
  418643.6958  0.0026 -4.0497 3  277.4339292 -59516140436 828 4    35 827 4      C-13-H3C(O)CH3
  418643.6958  0.0026 -4.0031 3  277.4339292 -59516140436 928 4    35 827 4      C-13-H3C(O)CH3
  418643.6958  0.0026 -3.7337 3  277.4339292 -59516140436 928 3    35 827 3      C-13-H3C(O)CH3
  418643.7195  0.0026 -4.0031 3  277.4339292  59516140436 828 4    35 927 4      C-13-H3C(O)CH3
  418643.7195  0.0026 -4.0497 3  277.4339292  59516140436 928 4    35 927 4      C-13-H3C(O)CH3
  418643.7886  0.0026 -5.4157 3  277.4339292  59516140436 928 3    35 927 3      C-13-H3C(O)CH3
  418643.7886  0.0026 -5.4157 3  277.4339292  59516140436 828 3    35 827 3      C-13-H3C(O)CH3
  418651.2452  0.0254 -5.5638 3  575.1695712  595161404443510 1    4336 8 1      C-13-H3C(O)CH3
  418676.4981  0.8044 -6.3761 3 1142.1598A32  595161404644123 0    643826 0      C-13-H3C(O)CH3
  418682.3877  0.0129 -4.7862 3  679.5063936  595161404581049 0    58 950 0      C-13-H3C(O)CH3
  418682.3877  0.0129 -4.7862 3  679.5063936  59516140458 949 0    58 850 0      C-13-H3C(O)CH3
  418682.3877  0.0129 -5.2304 3  679.5063936  59516140458 949 0    58 950 0      C-13-H3C(O)CH3
  418682.3877  0.0129 -5.2304 3  679.5063936  595161404581049 0    58 850 0      C-13-H3C(O)CH3
  418685.8029  0.0200 -4.9653 3  679.4753936  595161404581049 2    58 950 2      C-13-H3C(O)CH3
  418685.8029  0.0200 -4.9425 3  679.4753936  59516140458 949 2    58 950 2      C-13-H3C(O)CH3
  418685.8029  0.0200 -4.9653 3  679.4753936  59516140458 949 2    58 850 2      C-13-H3C(O)CH3
  418685.8029  0.0200 -4.9425 3  679.4753936  595161404581049 2    58 850 2      C-13-H3C(O)CH3
  418685.9097  0.0203 -4.8824 3  679.4756936  595161404581049 1    58 850 1      C-13-H3C(O)CH3
  418685.9097  0.0203 -4.8824 3  679.4756936  59516140458 949 1    58 950 1      C-13-H3C(O)CH3
  418685.9097  0.0203 -5.0392 3  679.4756936  595161404581049 1    58 950 1      C-13-H3C(O)CH3
  418685.9097  0.0203 -5.0392 3  679.4756936  59516140458 949 1    58 850 1      C-13-H3C(O)CH3
  418687.4132  0.0030 -4.0481 3  277.4470584 -59516140436 928 1    35 927 1      C-13-H3C(O)CH3
  418687.4132  0.0030 -4.0481 3  277.4470584 -59516140436 828 1    35 827 1      C-13-H3C(O)CH3
  418687.4675  0.0030 -3.5414 3  277.4470584  59516140436 828 1    35 927 1      C-13-H3C(O)CH3
  418687.4675  0.0030 -3.5414 3  277.4470584  59516140436 928 1    35 827 1      C-13-H3C(O)CH3
  418688.6556  0.0029 -5.0523 3  277.4461584  59516140436 828 2    35 827 2      C-13-H3C(O)CH3
  418688.6556  0.0029 -5.0523 3  277.4461584  59516140436 928 2    35 927 2      C-13-H3C(O)CH3
  418688.7006  0.0029 -3.4341 3  277.4461584 -59516140436 928 2    35 827 2      C-13-H3C(O)CH3
  418688.7006  0.0029 -3.4341 3  277.4461584 -59516140436 828 2    35 927 2      C-13-H3C(O)CH3
  418689.1032  0.0185 -6.0215 3  679.4446468  595161404581049 4    58 850 4      C-13-H3C(O)CH3
  418689.1032  0.0185 -4.9925 3  679.4446468  595161404581049 4    58 950 4      C-13-H3C(O)CH3
  418689.1032  0.0185 -6.0215 3  679.4446468  59516140458 949 4    58 950 4      C-13-H3C(O)CH3
  418689.1032  0.0185 -4.9925 3  679.4446468  59516140458 949 4    58 850 4      C-13-H3C(O)CH3
  418689.3340  0.0185 -5.9406 3  679.4446468  595161404581049 3    58 950 3      C-13-H3C(O)CH3
  418689.3340  0.0185 -5.0009 3  679.4446468  595161404581049 3    58 850 3      C-13-H3C(O)CH3
  418689.3340  0.0185 -5.0009 3  679.4446468  59516140458 949 3    58 950 3      C-13-H3C(O)CH3
  418689.3340  0.0185 -5.9406 3  679.4446468  59516140458 949 3    58 850 3      C-13-H3C(O)CH3
  418701.9157  0.0069 -3.8344 3  179.2029424 -595161404261611 0    251510 0      C-13-H3C(O)CH3
  418716.9249  0.0235 -5.5640 3  575.2052712  5951614044435 9 2    4336 7 2      C-13-H3C(O)CH3
  418732.2522  0.0024 -4.5771 3  277.4592584  59516140436 828 0    35 927 0      C-13-H3C(O)CH3
  418732.2522  0.0024 -3.4553 3  277.4592584  59516140436 928 0    35 927 0      C-13-H3C(O)CH3
  418732.2776  0.0024 -3.4553 3  277.4592584 -59516140436 828 0    35 827 0      C-13-H3C(O)CH3
  418732.2776  0.0024 -4.5771 3  277.4592584 -59516140436 928 0    35 827 0      C-13-H3C(O)CH3
  418732.8580  0.0281 -5.8657 3  575.2170356  5951614044435 9 4    4336 7 4      C-13-H3C(O)CH3
  418734.5413  0.0234 -5.5631 3  575.1846712  595161404443510 2    4336 8 2      C-13-H3C(O)CH3
  418748.7078  0.0270 -5.8647 3  575.1965356  5951614044435 9 3    4336 7 3      C-13-H3C(O)CH3
  418763.4024  1.3339 -6.5357 3 1286.0209A96  595161404684325 2    684028 2      C-13-H3C(O)CH3
  418783.8533  0.0234 -4.9257 3  378.1911600  595161404372414 2    362511 2      C-13-H3C(O)CH3
  418801.5069  0.0330 -6.3472 3  457.8700648  595161404402912 2    402614 2      C-13-H3C(O)CH3
  418823.8578  0.0290 -5.2620 3  378.1684300  595161404372414 4    362511 4      C-13-H3C(O)CH3
  418890.3058  0.0254 -5.9309 3  457.8834648  595161404402911 0    402614 0      C-13-H3C(O)CH3
  418938.9013  0.0276 -5.8650 3  575.1790356  595161404443510 3    4336 8 3      C-13-H3C(O)CH3
  418955.3105  0.0273 -5.8641 3  575.1583356  595161404443510 4    4336 8 4      C-13-H3C(O)CH3
  418987.6744  0.0237 -5.1809 3  378.1640300  595161404372414 3    362511 3      C-13-H3C(O)CH3
  419022.0177  0.0597 -6.5867 3 1259.8799B76  595161404732450 0    732251 0      C-13-H3C(O)CH3
  419022.0177  0.0597 -6.5867 3 1259.8799B76  595161404732350 0    732351 0      C-13-H3C(O)CH3
  419022.0177  0.0597 -5.5131 3 1259.8799B76  595161404732450 0    732351 0      C-13-H3C(O)CH3
  419022.0177  0.0597 -5.5131 3 1259.8799B76  595161404732350 0    732251 0      C-13-H3C(O)CH3
  419047.2085  0.0652 -6.5505 3 1259.8977B76  595161404732450 1    732251 1      C-13-H3C(O)CH3
  419047.2085  0.0652 -5.5162 3 1259.8977B76  595161404732350 1    732251 1      C-13-H3C(O)CH3
  419047.2085  0.0652 -6.5505 3 1259.8977B76  595161404732350 1    732351 1      C-13-H3C(O)CH3
  419047.2085  0.0652 -5.5162 3 1259.8977B76  595161404732450 1    732351 1      C-13-H3C(O)CH3
  419052.8477  0.0692 -6.6444 3 1259.8987B76  595161404732450 2    732251 2      C-13-H3C(O)CH3
  419052.8477  0.0692 -5.5085 3 1259.8987B76  595161404732450 2    732351 2      C-13-H3C(O)CH3
  419052.8477  0.0692 -5.5085 3 1259.8987B76  595161404732350 2    732251 2      C-13-H3C(O)CH3
  419052.8477  0.0692 -6.6444 3 1259.8987B76  595161404732350 2    732351 2      C-13-H3C(O)CH3
  419070.2034  0.0091 -6.6031 3   43.4834232  59516140414 8 6 2    13 5 9 2      C-13-H3C(O)CH3
  419074.0844  0.0168 -5.2269 3  644.4760460  59516140457 949 4    57 850 4      C-13-H3C(O)CH3
  419074.0844  0.0168 -5.2269 3  644.4760460  59516140457 849 4    57 750 4      C-13-H3C(O)CH3
  419074.0844  0.0168 -5.2327 3  644.4760460  59516140457 849 4    57 850 4      C-13-H3C(O)CH3
  419074.0844  0.0168 -5.2327 3  644.4760460  59516140457 949 4    57 750 4      C-13-H3C(O)CH3
  419074.4158  0.0167 -5.6037 3  644.4760460  59516140457 849 3    57 850 3      C-13-H3C(O)CH3
  419074.4158  0.0167 -5.0319 3  644.4760460  59516140457 949 3    57 850 3      C-13-H3C(O)CH3
  419074.4158  0.0167 -5.6037 3  644.4760460  59516140457 949 3    57 750 3      C-13-H3C(O)CH3
  419074.4158  0.0167 -5.0319 3  644.4760460  59516140457 849 3    57 750 3      C-13-H3C(O)CH3
  419078.1110  0.0554 -5.7879 3 1259.9165588  595161404732350 3    732251 3      C-13-H3C(O)CH3
  419078.1110  0.0554 -5.7879 3 1259.9165588  595161404732450 3    732351 3      C-13-H3C(O)CH3
  419078.2051  0.0554 -6.2269 3 1259.9166588  595161404732450 4    732251 4      C-13-H3C(O)CH3
  419078.2051  0.0554 -5.9702 3 1259.9166588  595161404732450 4    732351 4      C-13-H3C(O)CH3
  419078.2051  0.0554 -6.2269 3 1259.9166588  595161404732350 4    732351 4      C-13-H3C(O)CH3
  419078.2051  0.0554 -5.9702 3 1259.9166588  595161404732350 4    732251 4      C-13-H3C(O)CH3
  419083.3571  0.9070 -6.4553 3 1213.0332A64  595161404664224 1    663927 1      C-13-H3C(O)CH3
  419095.4882  0.1410 -6.3215 3  714.1769824  595161404513021 0    503318 0      C-13-H3C(O)CH3
  419117.1491  0.0203 -4.6647 3  644.5053920  59516140457 849 1    57 850 1      C-13-H3C(O)CH3
  419117.1491  0.0203 -4.6647 3  644.5053920  59516140457 949 1    57 750 1      C-13-H3C(O)CH3
  419117.1491  0.0203 -5.7151 3  644.5053920  59516140457 949 1    57 850 1      C-13-H3C(O)CH3
  419117.1491  0.0203 -5.7151 3  644.5053920  59516140457 849 1    57 750 1      C-13-H3C(O)CH3
  419117.1767  0.0201 -6.1341 3  644.5050920  59516140457 949 2    57 850 2      C-13-H3C(O)CH3
  419117.1767  0.0201 -6.1341 3  644.5050920  59516140457 849 2    57 750 2      C-13-H3C(O)CH3
  419117.1767  0.0201 -4.6414 3  644.5050920  59516140457 849 2    57 850 2      C-13-H3C(O)CH3
  419117.1767  0.0201 -4.6414 3  644.5050920  59516140457 949 2    57 750 2      C-13-H3C(O)CH3
  419124.5508  0.0101 -4.7400 3  378.1994600  595161404372414 0    362511 0      C-13-H3C(O)CH3
  419142.8798  0.0173 -4.2574 3  142.6427188  5951614042316 7 4    2215 8 4      C-13-H3C(O)CH3
  419155.4882  0.0390 -6.6046 3  457.8518324  595161404402912 3    402614 3      C-13-H3C(O)CH3
  419159.8614  0.0131 -4.6310 3  644.5343920  59516140457 949 0    57 750 0      C-13-H3C(O)CH3
  419159.8614  0.0131 -4.6310 3  644.5343920  59516140457 849 0    57 850 0      C-13-H3C(O)CH3
  419176.8481  0.0283 -6.1795 3  457.8675648  595161404402911 1    402614 1      C-13-H3C(O)CH3
  419219.5033  0.0091 -6.6056 3   43.4843232  59516140414 8 6 1    13 5 9 1      C-13-H3C(O)CH3
  419225.4456  0.0123 -4.7684 3  378.1754600  595161404372414 1    362511 1      C-13-H3C(O)CH3
  419280.5361  0.0259 -5.8484 3  145.4576188  5951614042317 7 4    2216 6 4      C-13-H3C(O)CH3
  419347.0782  0.0090 -6.5989 3   43.4325232  59516140414 8 6 0    13 5 9 0      C-13-H3C(O)CH3
  419365.0311  1.0342 -6.5376 3 1286.0064A96  595161404684325 1    684028 1      C-13-H3C(O)CH3
  419371.7202  0.0296 -5.8255 3  594.8328744  595161404463116 0    462819 0      C-13-H3C(O)CH3
  419385.9287  0.0397 -6.4719 3  457.8518324  595161404402911 3    402614 3      C-13-H3C(O)CH3
  419429.1025  0.0093 -4.0308 3  154.2349196  5951614042416 9 4    2315 8 4      C-13-H3C(O)CH3
  419433.6669  0.0157 -4.9987 3  610.0961452  59516140456 749 4    56 750 4      C-13-H3C(O)CH3
  419433.6669  0.0157 -5.6536 3  610.0961452  59516140456 749 4    56 650 4      C-13-H3C(O)CH3
  419433.6669  0.0157 -5.6536 3  610.0961452  59516140456 849 4    56 750 4      C-13-H3C(O)CH3
  419433.6669  0.0157 -4.9987 3  610.0961452  59516140456 849 4    56 650 4      C-13-H3C(O)CH3
  419434.0867  0.0156 -4.9124 3  610.0961452  59516140456 849 3    56 750 3      C-13-H3C(O)CH3
  419434.0867  0.0156 -4.9124 3  610.0961452  59516140456 749 3    56 650 3      C-13-H3C(O)CH3
  419451.8536  0.0306 -5.9715 3  594.8219744  595161404463116 1    462819 1      C-13-H3C(O)CH3
  419464.2901  0.0161 -5.1975 3  378.1684600  595161404372414 2    362512 2      C-13-H3C(O)CH3
  419491.9158  0.1253 -6.5894 3 1714.1732668  595161404833251 4    833152 4      C-13-H3C(O)CH3
  419491.9158  0.1253 -6.5894 3 1714.1732668  595161404833351 4    833252 4      C-13-H3C(O)CH3
  419497.4785  0.0043 -4.8455 3   72.0730148  59516140418 711 3    17 612 3      C-13-H3C(O)CH3
  419497.9092  0.0059 -4.8455 3   72.0731148  59516140418 711 4    17 612 4      C-13-H3C(O)CH3
  419511.1242  0.0043 -4.8455 3   72.0730148  59516140418 811 3    17 512 3      C-13-H3C(O)CH3
  419511.4240  0.0059 -4.8455 3   72.0731148  59516140418 811 4    17 512 4      C-13-H3C(O)CH3
  419534.2129  0.0197 -4.6680 3  610.1217904  59516140456 849 1    56 650 1      C-13-H3C(O)CH3
  419534.2129  0.0197 -4.6680 3  610.1217904  59516140456 749 1    56 750 1      C-13-H3C(O)CH3
  419534.2129  0.0197 -5.5180 3  610.1217904  59516140456 749 1    56 650 1      C-13-H3C(O)CH3
  419534.2129  0.0197 -5.5180 3  610.1217904  59516140456 849 1    56 750 1      C-13-H3C(O)CH3
  419534.4106  0.0195 -4.6282 3  610.1213904  59516140456 749 2    56 750 2      C-13-H3C(O)CH3
  419534.4106  0.0195 -4.6282 3  610.1213904  59516140456 849 2    56 650 2      C-13-H3C(O)CH3
  419534.4106  0.0195 -6.0111 3  610.1213904  59516140456 849 2    56 750 2      C-13-H3C(O)CH3
  419534.4106  0.0195 -6.0111 3  610.1213904  59516140456 749 2    56 650 2      C-13-H3C(O)CH3
  419535.6392  0.1471 -6.4740 3 1714.1628D36  595161404833251 2    833152 2      C-13-H3C(O)CH3
  419535.6392  0.1471 -6.4740 3 1714.1628D36  595161404833351 2    833252 2      C-13-H3C(O)CH3
  419536.4362  0.1593 -6.6012 3 1714.1593D36  595161404833351 1    833152 1      C-13-H3C(O)CH3
  419536.4362  0.1593 -6.5762 3 1714.1593D36  595161404833251 1    833152 1      C-13-H3C(O)CH3
  419536.4362  0.1593 -6.4468 3 1714.1593D36  595161404833251 1    833252 1      C-13-H3C(O)CH3
  419537.4155  0.0194 -5.5996 3  378.1457300  595161404372414 3    362512 3      C-13-H3C(O)CH3
  419543.4893  0.0467 -6.3419 3  594.8079372  595161404463116 4    462819 4      C-13-H3C(O)CH3
  419552.3550  0.0105 -5.9362 3  378.1645600  595161404372414 1    362512 1      C-13-H3C(O)CH3
  419580.0568  0.1648 -6.3071 3 1714.1489D36  595161404833251 0    833152 0      C-13-H3C(O)CH3
  419580.0568  0.1648 -6.3071 3 1714.1489D36  595161404833351 0    833252 0      C-13-H3C(O)CH3
  419587.2767  0.0169 -5.7590 3  505.7967696  595161404432618 0    432321 0      C-13-H3C(O)CH3
  419622.1554  0.0432 -6.0044 3  594.8192744  595161404463116 2    462819 2      C-13-H3C(O)CH3
  419634.4084  0.0135 -5.0231 3  610.1469904  59516140456 849 0    56 750 0      C-13-H3C(O)CH3
  419634.4084  0.0135 -5.0231 3  610.1469904  59516140456 749 0    56 650 0      C-13-H3C(O)CH3
  419634.4084  0.0135 -4.8227 3  610.1469904  59516140456 849 0    56 650 0      C-13-H3C(O)CH3
  419634.4084  0.0135 -4.8227 3  610.1469904  59516140456 749 0    56 750 0      C-13-H3C(O)CH3
  419638.2085  0.0184 -5.4389 3  378.1412300  595161404372414 4    362512 4      C-13-H3C(O)CH3
  419664.9058  0.0349 -6.1421 3  457.8700648  595161404402911 2    402614 2      C-13-H3C(O)CH3
  419681.7819  0.0052 -3.5422 3  139.1778172 -5951614042121 0 4    2020 0 4      C-13-H3C(O)CH3
  419692.1876  0.0026 -4.2780 3  283.3691300 -59516140437 730 4    36 829 4      C-13-H3C(O)CH3
  419692.1876  0.0026 -4.9905 3  283.3691300 -59516140437 730 3    36 829 3      C-13-H3C(O)CH3
  419692.1876  0.0026 -4.9905 3  283.3691300 -59516140437 830 3    36 729 3      C-13-H3C(O)CH3
  419692.1876  0.0026 -4.2780 3  283.3691300 -59516140437 830 4    36 729 4      C-13-H3C(O)CH3
  419692.2395  0.0026 -3.8329 3  283.3691300  59516140437 830 4    36 829 4      C-13-H3C(O)CH3
  419692.2395  0.0026 -3.8329 3  283.3691300  59516140437 730 4    36 729 4      C-13-H3C(O)CH3
  419692.2971  0.0026 -3.7226 3  283.3691300  59516140437 730 3    36 729 3      C-13-H3C(O)CH3
  419692.2971  0.0026 -3.7226 3  283.3691300  59516140437 830 3    36 829 3      C-13-H3C(O)CH3
  419707.7057  0.0177 -5.7588 3  505.7726696  595161404432618 2    432321 2      C-13-H3C(O)CH3
  419717.4030  0.0177 -5.7585 3  505.7762696  595161404432618 1    432321 1      C-13-H3C(O)CH3
  419735.5883  0.0030 -3.4753 3  283.3790600 -59516140437 830 1    36 829 1      C-13-H3C(O)CH3
  419735.5883  0.0030 -4.1900 3  283.3790600 -59516140437 730 1    36 829 1      C-13-H3C(O)CH3
  419735.6512  0.0030 -4.1900 3  283.3790600  59516140437 830 1    36 729 1      C-13-H3C(O)CH3
  419735.6512  0.0030 -3.4753 3  283.3790600  59516140437 730 1    36 729 1      C-13-H3C(O)CH3
  419736.3647  0.0030 -3.8881 3  283.3782600 -59516140437 730 2    36 829 2      C-13-H3C(O)CH3
  419736.3647  0.0030 -3.8881 3  283.3782600 -59516140437 830 2    36 729 2      C-13-H3C(O)CH3
  419736.5017  0.0030 -3.5688 3  283.3782600  59516140437 830 2    36 829 2      C-13-H3C(O)CH3
  419736.5017  0.0030 -3.5688 3  283.3782600  59516140437 730 2    36 729 2      C-13-H3C(O)CH3
  419743.7985  0.0575 -5.5393 3 1216.1885B60  595161404722350 0    722151 0      C-13-H3C(O)CH3
  419743.7985  0.0575 -5.5393 3 1216.1885B60  595161404722250 0    722251 0      C-13-H3C(O)CH3
  419743.7985  0.0575 -5.9743 3 1216.1885B60  595161404722350 0    722251 0      C-13-H3C(O)CH3
  419743.7985  0.0575 -5.9743 3 1216.1885B60  595161404722250 0    722151 0      C-13-H3C(O)CH3
  419745.3844  0.0573 -6.1254 3  553.0686364  595161404452619 3    452322 3      C-13-H3C(O)CH3
  419752.7809  0.0069 -3.9929 3  154.2314196  5951614042416 9 3    2315 8 3      C-13-H3C(O)CH3
  419754.4612  0.0579 -6.1254 3  553.0685364  595161404452619 4    452322 4      C-13-H3C(O)CH3
  419767.7256  0.0158 -5.5288 3  576.3061444  59516140455 649 4    55 650 4      C-13-H3C(O)CH3
  419767.7256  0.0158 -5.0230 3  576.3061444  59516140455 649 4    55 550 4      C-13-H3C(O)CH3
  419767.7256  0.0158 -5.6464 3  576.3061444  59516140455 749 4    55 550 4      C-13-H3C(O)CH3
  419767.7256  0.0158 -4.9920 3  576.3061444  59516140455 749 4    55 650 4      C-13-H3C(O)CH3
  419768.2025  0.0155 -4.9053 3  576.3061444  59516140455 649 3    55 650 3      C-13-H3C(O)CH3
  419768.2025  0.0155 -4.9053 3  576.3061444  59516140455 749 3    55 550 3      C-13-H3C(O)CH3
  419779.7446  0.0024 -3.7718 3  283.3881600 -59516140437 830 0    36 829 0      C-13-H3C(O)CH3
  419779.7446  0.0024 -3.7718 3  283.3881600 -59516140437 730 0    36 729 0      C-13-H3C(O)CH3
  419779.7736  0.0024 -3.6379 3  283.3881600  59516140437 830 0    36 729 0      C-13-H3C(O)CH3
  419779.7736  0.0024 -3.6379 3  283.3881600  59516140437 730 0    36 829 0      C-13-H3C(O)CH3
  419781.8781  0.0646 -5.5600 3 1216.2042B60  595161404722250 1    722151 1      C-13-H3C(O)CH3
  419781.8781  0.0646 -5.5600 3 1216.2042B60  595161404722350 1    722251 1      C-13-H3C(O)CH3
  419781.8781  0.0646 -5.9224 3 1216.2042B60  595161404722350 1    722151 1      C-13-H3C(O)CH3
  419781.8781  0.0646 -5.9224 3 1216.2042B60  595161404722250 1    722251 1      C-13-H3C(O)CH3
  419784.3865  0.0047 -4.5434 3   72.0339296  59516140418 711 2    17 612 2      C-13-H3C(O)CH3
  419787.2281  0.0681 -5.5646 3 1216.2050B60  595161404722350 2    722251 2      C-13-H3C(O)CH3
  419787.2281  0.0681 -5.9119 3 1216.2050B60  595161404722350 2    722151 2      C-13-H3C(O)CH3
  419787.2281  0.0681 -5.5646 3 1216.2050B60  595161404722250 2    722151 2      C-13-H3C(O)CH3
  419787.2281  0.0681 -5.9119 3 1216.2050B60  595161404722250 2    722251 2      C-13-H3C(O)CH3
  419798.5766  0.0047 -4.5434 3   72.0339296  59516140418 811 2    17 512 2      C-13-H3C(O)CH3
  419805.5621  0.0046 -4.5436 3   72.0349296  59516140418 711 1    17 612 1      C-13-H3C(O)CH3
  419819.2990  0.0046 -4.5436 3   72.0349296  59516140418 811 1    17 512 1      C-13-H3C(O)CH3
  419825.3911  0.0522 -5.7084 3 1216.2208580  595161404722250 3    722151 3      C-13-H3C(O)CH3
  419825.3911  0.0522 -5.7084 3 1216.2208580  595161404722350 3    722251 3      C-13-H3C(O)CH3
  419825.5077  0.0523 -5.8215 3 1216.2208580  595161404722250 4    722251 4      C-13-H3C(O)CH3
  419825.5077  0.0523 -5.8215 3 1216.2208580  595161404722350 4    722151 4      C-13-H3C(O)CH3
  419825.5077  0.0523 -6.3305 3 1216.2208580  595161404722350 4    722251 4      C-13-H3C(O)CH3
  419825.5077  0.0523 -6.3305 3 1216.2208580  595161404722250 4    722151 4      C-13-H3C(O)CH3
  419831.3393  0.0171 -6.0593 3  505.7521348  595161404432618 4    432321 4      C-13-H3C(O)CH3
  419841.7822  0.0061 -3.7039 3  154.2325392 -5951614042416 9 1    2315 8 1      C-13-H3C(O)CH3
  419844.8659  0.0168 -6.0592 3  505.7521348  595161404432618 3    432321 3      C-13-H3C(O)CH3
  419860.7027  0.0045 -3.5417 3  139.1108172 -5951614042121 1 3    2020 1 3      C-13-H3C(O)CH3
  419876.0425  0.0557 -5.8253 3  553.0864728  595161404452619 2    452322 2      C-13-H3C(O)CH3
  419895.5544  0.0370 -6.4094 3  457.8560324  595161404402911 4    402614 4      C-13-H3C(O)CH3
  419926.6449  0.0048 -3.5416 3  139.1213172 -5951614042121 0 3    2020 0 3      C-13-H3C(O)CH3
  419938.1407  0.0187 -5.8246 3  576.3253888  59516140455 649 1    55 550 1      C-13-H3C(O)CH3
  419938.1407  0.0187 -4.6306 3  576.3253888  59516140455 749 1    55 550 1      C-13-H3C(O)CH3
  419938.1407  0.0187 -4.6306 3  576.3253888  59516140455 649 1    55 650 1      C-13-H3C(O)CH3
  419938.1407  0.0187 -5.8246 3  576.3253888  59516140455 749 1    55 650 1      C-13-H3C(O)CH3
  419938.4955  0.0182 -6.6978 3  576.3250888  59516140455 649 2    55 550 2      C-13-H3C(O)CH3
  419938.4955  0.0182 -4.6071 3  576.3250888  59516140455 749 2    55 550 2      C-13-H3C(O)CH3
  419938.4955  0.0182 -6.6978 3  576.3250888  59516140455 749 2    55 650 2      C-13-H3C(O)CH3
  419938.4955  0.0182 -4.6071 3  576.3250888  59516140455 649 2    55 650 2      C-13-H3C(O)CH3
  419948.5212  0.0046 -3.2406 3  139.1861344 -5951614042121 0 1    2020 0 1      C-13-H3C(O)CH3
  419956.0209  1.0697 -6.3819 3 1142.1491A32  595161404644123 2    643826 2      C-13-H3C(O)CH3
  419963.6392  0.0045 -3.2406 3  139.2042344 -5951614042121 0 2    2020 0 2      C-13-H3C(O)CH3
  420076.1267  0.0177 -5.8982 3  543.1071436  59516140454 549 4    54 550 4      C-13-H3C(O)CH3
  420076.1267  0.0177 -5.8982 3  543.1071436  59516140454 649 4    54 450 4      C-13-H3C(O)CH3
  420076.1267  0.0177 -4.9589 3  543.1071436  59516140454 649 4    54 550 4      C-13-H3C(O)CH3
  420076.1267  0.0177 -4.9589 3  543.1071436  59516140454 549 4    54 450 4      C-13-H3C(O)CH3
  420076.6011  0.0171 -5.5816 3  543.1071436  59516140454 649 3    54 450 3      C-13-H3C(O)CH3
  420076.6011  0.0171 -5.0161 3  543.1071436  59516140454 649 3    54 550 3      C-13-H3C(O)CH3
  420076.6011  0.0171 -5.5816 3  543.1071436  59516140454 549 3    54 550 3      C-13-H3C(O)CH3
  420076.6011  0.0171 -5.0161 3  543.1071436  59516140454 549 3    54 450 3      C-13-H3C(O)CH3
  420083.1010  0.0055 -3.6948 3  154.2263392 -5951614042416 9 2    2315 8 2      C-13-H3C(O)CH3
  420091.7259  0.0047 -4.5425 3   71.9959296  59516140418 711 0    17 612 0      C-13-H3C(O)CH3
  420104.9334  0.0048 -3.5411 3  139.0545172 -5951614042121 1 4    2020 1 4      C-13-H3C(O)CH3
  420106.0654  0.0047 -4.5425 3   71.9959296  59516140418 811 0    17 512 0      C-13-H3C(O)CH3
  420108.1956  0.0137 -5.1276 3  576.3441888  59516140455 649 0    55 550 0      C-13-H3C(O)CH3
  420108.1956  0.0137 -5.1063 3  576.3441888  59516140455 749 0    55 650 0      C-13-H3C(O)CH3
  420108.1956  0.0137 -4.7575 3  576.3441888  59516140455 749 0    55 550 0      C-13-H3C(O)CH3
  420108.1956  0.0137 -4.7669 3  576.3441888  59516140455 649 0    55 650 0      C-13-H3C(O)CH3
  420128.0190  0.0282 -5.8252 3  553.0895728  595161404452619 1    452322 1      C-13-H3C(O)CH3
  420142.1342  0.0045 -3.2401 3  139.1372344 -5951614042121 1 2    2020 1 2      C-13-H3C(O)CH3
  420192.9631  0.0045 -3.2400 3  139.1296344 -5951614042121 1 1    2020 1 1      C-13-H3C(O)CH3
  420230.6303  0.0046 -3.2400 3  139.2125344 -5951614042121 0 0    2020 1 0      C-13-H3C(O)CH3
  420230.6303  0.0046 -3.2400 3  139.2125344 -5951614042121 1 0    2020 0 0      C-13-H3C(O)CH3
  420255.2512  0.0298 -5.8260 3  553.1074728  595161404452619 0    452322 0      C-13-H3C(O)CH3
  420290.4757  1.2213 -6.6287 3 1361.0657B28  595161404704426 0    704129 0      C-13-H3C(O)CH3
  420327.9486  0.7700 -6.3840 3 1142.1400A32  595161404644123 1    643826 1      C-13-H3C(O)CH3
  420329.9590  0.0183 -4.6625 3  543.1170872  59516140454 549 1    54 550 1      C-13-H3C(O)CH3
  420329.9590  0.0183 -5.5538 3  543.1170872  59516140454 649 1    54 550 1      C-13-H3C(O)CH3
  420329.9590  0.0183 -5.5538 3  543.1170872  59516140454 549 1    54 450 1      C-13-H3C(O)CH3
  420329.9590  0.0183 -4.6625 3  543.1170872  59516140454 649 1    54 450 1      C-13-H3C(O)CH3
  420330.3969  0.0170 -5.7877 3  543.1166872  59516140454 549 2    54 450 2      C-13-H3C(O)CH3
  420330.3969  0.0170 -4.6398 3  543.1166872  59516140454 549 2    54 550 2      C-13-H3C(O)CH3
  420330.3969  0.0170 -5.7877 3  543.1166872  59516140454 649 2    54 550 2      C-13-H3C(O)CH3
  420330.3969  0.0170 -4.6398 3  543.1166872  59516140454 649 2    54 450 2      C-13-H3C(O)CH3
  420332.5564  0.0043 -3.6869 3  154.2257392 -5951614042416 9 0    2315 8 0      C-13-H3C(O)CH3
  420336.6652  0.0120 -5.9254 3   67.0349132  5951614041613 4 4    1510 6 4      C-13-H3C(O)CH3
  420358.7408  0.0216 -5.1409 3  510.5002428  59516140453 449 4    53 350 4      C-13-H3C(O)CH3
  420358.7408  0.0216 -5.1409 3  510.5002428  59516140453 549 4    53 450 4      C-13-H3C(O)CH3
  420358.7408  0.0216 -5.3639 3  510.5002428  59516140453 549 4    53 350 4      C-13-H3C(O)CH3
  420358.7408  0.0216 -5.3639 3  510.5002428  59516140453 449 4    53 450 4      C-13-H3C(O)CH3
  420359.1152  0.0209 -5.0978 3  510.5001428  59516140453 549 3    53 450 3      C-13-H3C(O)CH3
  420359.1152  0.0209 -5.4470 3  510.5001428  59516140453 449 3    53 450 3      C-13-H3C(O)CH3
  420359.1152  0.0209 -5.0978 3  510.5001428  59516140453 449 3    53 350 3      C-13-H3C(O)CH3
  420359.1152  0.0209 -5.4470 3  510.5001428  59516140453 549 3    53 350 3      C-13-H3C(O)CH3
  420426.6929  0.0280 -6.1037 3  523.9310696  595161404433014 1    432717 1      C-13-H3C(O)CH3
  420436.7022  0.0552 -6.1881 3 1173.0717B44  595161404712250 0    712151 0      C-13-H3C(O)CH3
  420436.7022  0.0552 -6.1881 3 1173.0717B44  595161404712150 0    712051 0      C-13-H3C(O)CH3
  420436.7022  0.0552 -5.3961 3 1173.0717B44  595161404712250 0    712051 0      C-13-H3C(O)CH3
  420436.7022  0.0552 -5.3961 3 1173.0717B44  595161404712150 0    712151 0      C-13-H3C(O)CH3
  420456.6771  0.0529 -6.1870 3  594.8088372  595161404463116 3    462819 3      C-13-H3C(O)CH3
  420487.9457  0.0634 -5.7559 3 1173.0848B44  595161404712150 1    712151 1      C-13-H3C(O)CH3
  420487.9457  0.0634 -5.5358 3 1173.0848B44  595161404712150 1    712051 1      C-13-H3C(O)CH3
  420487.9457  0.0634 -5.7559 3 1173.0848B44  595161404712250 1    712051 1      C-13-H3C(O)CH3
  420487.9457  0.0634 -5.5358 3 1173.0848B44  595161404712250 1    712151 1      C-13-H3C(O)CH3
  420492.8671  0.0662 -5.3469 3 1173.0854B44  595161404712250 2    712051 2      C-13-H3C(O)CH3
  420492.8671  0.0662 -5.3469 3 1173.0854B44  595161404712150 2    712151 2      C-13-H3C(O)CH3
  420493.5434  0.0396 -6.4004 3  523.9157348  595161404433014 4    432717 4      C-13-H3C(O)CH3
  420525.6025  0.1124 -6.5083 3 1664.7712660  595161404823151 4    823052 4      C-13-H3C(O)CH3
  420525.6025  0.1124 -6.5083 3 1664.7712660  595161404823251 4    823152 4      C-13-H3C(O)CH3
  420525.6590  0.1124 -6.6315 3 1664.7711660  595161404823251 3    823052 3      C-13-H3C(O)CH3
  420525.6590  0.1124 -6.6315 3 1664.7711660  595161404823151 3    823152 3      C-13-H3C(O)CH3
  420544.2045  0.0493 -5.6330 3 1173.0985572  595161404712150 3    712151 3      C-13-H3C(O)CH3
  420544.2045  0.0493 -5.6330 3 1173.0985572  595161404712250 3    712051 3      C-13-H3C(O)CH3
  420544.3429  0.0494 -5.9968 3 1173.0985572  595161404712250 4    712151 4      C-13-H3C(O)CH3
  420544.3429  0.0494 -5.8773 3 1173.0985572  595161404712150 4    712151 4      C-13-H3C(O)CH3
  420544.3429  0.0494 -5.8773 3 1173.0985572  595161404712250 4    712051 4      C-13-H3C(O)CH3
  420544.3429  0.0494 -5.9968 3 1173.0985572  595161404712150 4    712051 4      C-13-H3C(O)CH3
  420567.0677  0.1372 -6.2844 3 1664.7549D20  595161404823151 1    823052 1      C-13-H3C(O)CH3
  420567.0677  0.1372 -6.2844 3 1664.7549D20  595161404823251 1    823152 1      C-13-H3C(O)CH3
  420567.7611  0.1288 -6.3330 3 1664.7583D20  595161404823251 2    823152 2      C-13-H3C(O)CH3
  420567.7611  0.1288 -6.3330 3 1664.7583D20  595161404823151 2    823052 2      C-13-H3C(O)CH3
  420572.3641  0.0421 -6.3715 3  594.8219744  595161404463115 1    462819 1      C-13-H3C(O)CH3
  420583.3647  0.0143 -5.3926 3  543.1264872  59516140454 649 0    54 550 0      C-13-H3C(O)CH3
  420583.3647  0.0143 -4.6875 3  543.1264872  59516140454 649 0    54 450 0      C-13-H3C(O)CH3
  420583.3647  0.0143 -5.3926 3  543.1264872  59516140454 549 0    54 450 0      C-13-H3C(O)CH3
  420583.3647  0.0143 -4.6875 3  543.1264872  59516140454 549 0    54 550 0      C-13-H3C(O)CH3
  420591.4602  0.0262 -5.8544 3  523.9443696  595161404433014 0    432717 0      C-13-H3C(O)CH3
  420609.1450  0.1434 -6.2016 3 1664.7421D20  595161404823251 0    823052 0      C-13-H3C(O)CH3
  420609.1450  0.1434 -6.2016 3 1664.7421D20  595161404823151 0    823152 0      C-13-H3C(O)CH3
  420615.4584  0.0279 -4.9995 3  478.4863420  59516140452 449 4    52 350 4      C-13-H3C(O)CH3
  420615.4584  0.0279 -4.9995 3  478.4863420  59516140452 349 4    52 250 4      C-13-H3C(O)CH3
  420615.5843  0.0271 -4.9998 3  478.4862420  59516140452 449 3    52 250 3      C-13-H3C(O)CH3
  420615.5843  0.0271 -4.9998 3  478.4862420  59516140452 349 3    52 350 3      C-13-H3C(O)CH3
  420618.0584  0.0064 -4.2415 3  100.2200328  5951614042011 9 2    191010 2      C-13-H3C(O)CH3
  420632.8927  0.0065 -4.5431 3  100.2423164  5951614042011 9 3    191010 3      C-13-H3C(O)CH3
  420659.0012  0.0089 -4.5431 3  100.2423164  5951614042011 9 4    191010 4      C-13-H3C(O)CH3
  420665.7895  0.0352 -6.1048 3  523.9300696  595161404433014 2    432717 2      C-13-H3C(O)CH3
  420710.6774  0.0213 -4.7240 3  510.4972856  59516140453 549 1    53 350 1      C-13-H3C(O)CH3
  420710.6774  0.0213 -5.3685 3  510.4972856  59516140453 449 1    53 350 1      C-13-H3C(O)CH3
  420710.6774  0.0213 -5.3685 3  510.4972856  59516140453 549 1    53 450 1      C-13-H3C(O)CH3
  420710.6774  0.0213 -4.7240 3  510.4972856  59516140453 449 1    53 450 1      C-13-H3C(O)CH3
  420711.0511  0.0190 -4.6380 3  510.4968856  59516140453 449 2    53 350 2      C-13-H3C(O)CH3
  420711.0511  0.0190 -4.6380 3  510.4968856  59516140453 549 2    53 450 2      C-13-H3C(O)CH3
  420752.7966  0.0060 -4.2410 3  100.2005328  5951614042011 9 0    191010 0      C-13-H3C(O)CH3
  420760.0044  0.0025 -4.4889 3  288.7568308 -59516140438 632 3    37 731 3      C-13-H3C(O)CH3
  420760.0044  0.0025 -3.7488 3  288.7568308 -59516140438 732 3    37 731 3      C-13-H3C(O)CH3
  420760.0044  0.0026 -4.5144 3  288.7569308 -59516140438 632 4    37 731 4      C-13-H3C(O)CH3
  420760.0044  0.0026 -3.7443 3  288.7569308 -59516140438 732 4    37 731 4      C-13-H3C(O)CH3
  420760.0391  0.0026 -3.7443 3  288.7569308  59516140438 632 4    37 631 4      C-13-H3C(O)CH3
  420760.0391  0.0026 -4.5144 3  288.7569308  59516140438 732 4    37 631 4      C-13-H3C(O)CH3
  420760.0838  0.0025 -3.7488 3  288.7568308  59516140438 632 3    37 631 3      C-13-H3C(O)CH3
  420760.0838  0.0025 -4.4889 3  288.7568308  59516140438 732 3    37 631 3      C-13-H3C(O)CH3
  420779.1914  0.0062 -4.2416 3  100.2228328  5951614042011 9 1    191010 1      C-13-H3C(O)CH3
  420794.7229  0.0175 -5.0554 3  145.4401376  5951614042317 7 1    2216 6 1      C-13-H3C(O)CH3
  420802.8256  0.0030 -3.9038 3  288.7624616 -59516140438 732 1    37 631 1      C-13-H3C(O)CH3
  420802.8256  0.0030 -3.9038 3  288.7624616 -59516140438 632 1    37 731 1      C-13-H3C(O)CH3
  420802.8694  0.0030 -3.5275 3  288.7624616  59516140438 732 1    37 731 1      C-13-H3C(O)CH3
  420802.8694  0.0030 -3.5275 3  288.7624616  59516140438 632 1    37 631 1      C-13-H3C(O)CH3
  420803.4685  0.0030 -3.4108 3  288.7618616  59516140438 632 2    37 731 2      C-13-H3C(O)CH3
  420803.4685  0.0030 -3.4108 3  288.7618616  59516140438 732 2    37 631 2      C-13-H3C(O)CH3
  420803.4716  0.0030 -4.4777 3  288.7618616 -59516140438 632 2    37 631 2      C-13-H3C(O)CH3
  420803.4716  0.0030 -4.4777 3  288.7618616 -59516140438 732 2    37 731 2      C-13-H3C(O)CH3
  420845.8685  0.0360 -5.8846 3  447.0664412  59516140451 249 3    51 150 3      C-13-H3C(O)CH3
  420845.8685  0.0360 -5.1766 3  447.0664412  59516140451 349 3    51 150 3      C-13-H3C(O)CH3
  420845.8685  0.0360 -5.1766 3  447.0664412  59516140451 249 3    51 250 3      C-13-H3C(O)CH3
  420845.8685  0.0360 -5.8846 3  447.0664412  59516140451 349 3    51 250 3      C-13-H3C(O)CH3
  420846.1712  0.0024 -3.7315 3  288.7674616  59516140438 732 0    37 731 0      C-13-H3C(O)CH3
  420846.1712  0.0024 -3.7315 3  288.7674616  59516140438 632 0    37 631 0      C-13-H3C(O)CH3
  420846.1898  0.0024 -3.6270 3  288.7674616 -59516140438 632 0    37 731 0      C-13-H3C(O)CH3
  420846.1898  0.0024 -3.6270 3  288.7674616 -59516140438 732 0    37 631 0      C-13-H3C(O)CH3
  420846.2058  0.0368 -5.0993 3  447.0665412  59516140451 249 4    51 150 4      C-13-H3C(O)CH3
  420846.2058  0.0368 -5.0993 3  447.0665412  59516140451 349 4    51 250 4      C-13-H3C(O)CH3
  420886.9892  1.4141 -6.6300 3 1361.0649B28  595161404704426 2    704129 2      C-13-H3C(O)CH3
  420981.0678  0.6525 -6.3098 3 1073.3588A00  595161404624022 0    623725 0      C-13-H3C(O)CH3
  420999.8426  0.0200 -6.4404 3  287.4262504  5951614043126 5 1    3123 8 1      C-13-H3C(O)CH3
  421049.8623  0.0480 -5.3322 3  416.2418404  59516140450 149 3    50 150 3      C-13-H3C(O)CH3
  421049.8623  0.0480 -5.3322 3  416.2418404  59516140450 249 3    50 050 3      C-13-H3C(O)CH3
  421050.9619  0.0487 -5.4621 3  416.2418404  59516140450 249 4    50 150 4      C-13-H3C(O)CH3
  421050.9619  0.0487 -5.9191 3  416.2418404  59516140450 249 4    50 050 4      C-13-H3C(O)CH3
  421050.9619  0.0487 -5.3486 3  416.2418404  59516140450 149 4    50 050 4      C-13-H3C(O)CH3
  421062.0125  0.0172 -6.5623 3  510.4939856  59516140453 449 0    53 350 0      C-13-H3C(O)CH3
  421062.0125  0.0172 -4.6545 3  510.4939856  59516140453 449 0    53 450 0      C-13-H3C(O)CH3
  421062.0125  0.0172 -4.6395 3  510.4939856  59516140453 549 0    53 350 0      C-13-H3C(O)CH3
  421062.0125  0.0172 -5.9780 3  510.4939856  59516140453 549 0    53 450 0      C-13-H3C(O)CH3
  421081.2846  0.0304 -4.7042 3  478.4668840  59516140452 449 1    52 250 1      C-13-H3C(O)CH3
  421081.2846  0.0304 -6.1712 3  478.4668840  59516140452 449 1    52 350 1      C-13-H3C(O)CH3
  421081.2846  0.0304 -6.1712 3  478.4668840  59516140452 349 1    52 250 1      C-13-H3C(O)CH3
  421081.2846  0.0304 -4.7042 3  478.4668840  59516140452 349 1    52 350 1      C-13-H3C(O)CH3
  421081.3616  0.0275 -6.3105 3  478.4664840  59516140452 449 2    52 250 2      C-13-H3C(O)CH3
  421081.3616  0.0275 -4.7001 3  478.4664840  59516140452 349 2    52 250 2      C-13-H3C(O)CH3
  421081.3616  0.0275 -6.3105 3  478.4664840  59516140452 349 2    52 350 2      C-13-H3C(O)CH3
  421081.3616  0.0275 -4.7001 3  478.4664840  59516140452 449 2    52 350 2      C-13-H3C(O)CH3
  421102.2611  0.0524 -5.8495 3 1130.5305B28  595161404702050 0    702051 0      C-13-H3C(O)CH3
  421102.2611  0.0524 -5.3905 3 1130.5305B28  595161404702050 0    701951 0      C-13-H3C(O)CH3
  421102.2611  0.0524 -5.8495 3 1130.5305B28  595161404702150 0    701951 0      C-13-H3C(O)CH3
  421102.2611  0.0524 -5.3905 3 1130.5305B28  595161404702150 0    702051 0      C-13-H3C(O)CH3
  421110.2808  0.0084 -4.0838 3  166.4034204  595161404251610 4    2415 9 4      C-13-H3C(O)CH3
  421126.5493  0.0714 -6.3022 3  594.8192744  595161404463115 2    462819 2      C-13-H3C(O)CH3
  421166.5391  0.0612 -5.5317 3 1130.5405B28  595161404702050 1    701951 1      C-13-H3C(O)CH3
  421166.5391  0.0612 -5.5942 3 1130.5405B28  595161404702050 1    702051 1      C-13-H3C(O)CH3
  421166.5391  0.0612 -5.5942 3 1130.5405B28  595161404702150 1    701951 1      C-13-H3C(O)CH3
  421166.5391  0.0612 -5.5317 3 1130.5405B28  595161404702150 1    702051 1      C-13-H3C(O)CH3
  421170.9219  0.0634 -5.2610 3 1130.5408B28  595161404702050 2    701951 2      C-13-H3C(O)CH3
  421170.9219  0.0634 -5.2610 3 1130.5408B28  595161404702150 2    702051 2      C-13-H3C(O)CH3
  421175.8858  0.0089 -4.0804 3  166.4031204  595161404251610 3    2415 9 3      C-13-H3C(O)CH3
  421196.5564  0.0214 -5.3786 3  541.1927696  595161404433311 0    4234 8 0      C-13-H3C(O)CH3
  421196.5948  0.0214 -5.3786 3  541.1927696  595161404433310 0    4234 9 0      C-13-H3C(O)CH3
  421197.3490  0.0178 -4.8753 3  145.4397376 -5951614042317 7 2    2216 6 2      C-13-H3C(O)CH3
  421229.0241  0.0199 -6.4402 3  287.4271504  5951614043126 6 2    3123 9 2      C-13-H3C(O)CH3
  421235.3038  0.0465 -5.8552 3 1130.5508564  595161404702050 3    702051 3      C-13-H3C(O)CH3
  421235.3038  0.0465 -5.8552 3 1130.5508564  595161404702150 3    701951 3      C-13-H3C(O)CH3
  421235.3038  0.0465 -5.8704 3 1130.5508564  595161404702150 3    702051 3      C-13-H3C(O)CH3
  421235.3038  0.0465 -5.8704 3 1130.5508564  595161404702050 3    701951 3      C-13-H3C(O)CH3
  421235.4621  0.0466 -5.7611 3 1130.5508564  595161404702150 4    701951 4      C-13-H3C(O)CH3
  421235.4621  0.0466 -5.9956 3 1130.5508564  595161404702150 4    702051 4      C-13-H3C(O)CH3
  421235.4621  0.0466 -5.7611 3 1130.5508564  595161404702050 4    702051 4      C-13-H3C(O)CH3
  421235.4621  0.0466 -5.9956 3 1130.5508564  595161404702050 4    701951 4      C-13-H3C(O)CH3
  421237.8480  0.0454 -6.5436 3  755.9429792  5951614044944 5 1    4845 3 1      C-13-H3C(O)CH3
  421264.1646  0.0348 -6.2140 3  523.9310696  595161404433013 1    432717 1      C-13-H3C(O)CH3
  421265.3814  0.0445 -6.3673 3  523.9177348  595161404433014 3    432717 3      C-13-H3C(O)CH3
  421286.4399  0.0226 -5.3791 3  541.1972696  595161404433310 1    4234 8 1      C-13-H3C(O)CH3
  421312.2628  0.0192 -6.4444 3  287.4340504  5951614043126 5 2    3123 8 2      C-13-H3C(O)CH3
  421333.8089  0.0484 -6.5445 3  755.9189792  5951614044944 5 2    4845 3 2      C-13-H3C(O)CH3
  421351.4868  0.0073 -3.7799 3  166.4046408 -595161404251610 1    2415 9 1      C-13-H3C(O)CH3
  421364.7076  0.0036 -3.6450 3  141.4105180 -5951614042219 3 4    2118 3 4      C-13-H3C(O)CH3
  421400.2464  0.0208 -5.3778 3  541.1824696  595161404433311 2    4234 9 2      C-13-H3C(O)CH3
  421419.7806  0.0216 -5.3784 3  541.1642696  595161404433311 1    4234 9 1      C-13-H3C(O)CH3
  421426.9070  0.0201 -6.4378 3  287.4096504  5951614043126 6 1    3123 9 1      C-13-H3C(O)CH3
  421442.1945  0.0432 -4.8083 3  447.0258824  59516140451 349 2    51 150 2      C-13-H3C(O)CH3
  421442.1945  0.0432 -4.8083 3  447.0258824  59516140451 249 2    51 250 2      C-13-H3C(O)CH3
  421442.1945  0.0432 -6.3563 3  447.0258824  59516140451 249 2    51 150 2      C-13-H3C(O)CH3
  421442.1945  0.0432 -6.3563 3  447.0258824  59516140451 349 2    51 250 2      C-13-H3C(O)CH3
  421442.7436  0.0463 -5.1831 3  447.0261824  59516140451 349 1    51 150 1      C-13-H3C(O)CH3
  421442.7436  0.0463 -5.0258 3  447.0261824  59516140451 349 1    51 250 1      C-13-H3C(O)CH3
  421442.7436  0.0463 -5.1831 3  447.0261824  59516140451 249 1    51 250 1      C-13-H3C(O)CH3
  421442.7436  0.0463 -5.0258 3  447.0261824  59516140451 249 1    51 150 1      C-13-H3C(O)CH3
  421474.0148  0.0478 -6.5439 3  755.9015792  5951614044944 6 1    4845 4 1      C-13-H3C(O)CH3
  421483.8542  0.0031 -3.6448 3  141.3493180 -5951614042219 3 3    2118 3 3      C-13-H3C(O)CH3
  421488.2469  0.0240 -5.6793 3  541.1869348  595161404433310 3    4234 8 3      C-13-H3C(O)CH3
  421506.6722  0.0131 -5.8299 3  366.6358600  595161404372017 2    371720 2      C-13-H3C(O)CH3
  421512.3323  0.0221 -5.3785 3  541.2027696  595161404433310 2    4234 8 2      C-13-H3C(O)CH3
  421521.4924  0.1012 -6.4076 3 1615.9321652  595161404813051 4    812952 4      C-13-H3C(O)CH3
  421521.4924  0.1012 -6.4076 3 1615.9321652  595161404813151 4    813052 4      C-13-H3C(O)CH3
  421521.5371  0.1012 -6.4827 3 1615.9321652  595161404813151 3    813052 3      C-13-H3C(O)CH3
  421521.5371  0.1012 -6.4827 3 1615.9321652  595161404813051 3    812952 3      C-13-H3C(O)CH3
  421536.7074  0.0034 -3.6445 3  141.3471180 -5951614042219 4 3    2118 4 3      C-13-H3C(O)CH3
  421546.1682  0.0250 -5.3961 3  478.4469840  59516140452 449 0    52 250 0      C-13-H3C(O)CH3
  421546.1682  0.0250 -4.7831 3  478.4469840  59516140452 449 0    52 350 0      C-13-H3C(O)CH3
  421546.1682  0.0250 -5.3961 3  478.4469840  59516140452 349 0    52 350 0      C-13-H3C(O)CH3
  421546.1682  0.0250 -4.7831 3  478.4469840  59516140452 349 0    52 250 0      C-13-H3C(O)CH3
  421549.1083  0.9097 -6.6830 3 1142.1293516  595161404644123 3    643826 3      C-13-H3C(O)CH3
  421551.1116  1.1402 -6.6317 3 1361.0486B28  595161404704426 1    704129 1      C-13-H3C(O)CH3
  421553.7824  0.0106 -5.8295 3  366.6644600  595161404372017 0    371720 0      C-13-H3C(O)CH3
  421558.6387  0.1176 -6.1113 3 1615.9139D04  595161404813051 1    813052 1      C-13-H3C(O)CH3
  421558.6387  0.1176 -6.1113 3 1615.9139D04  595161404813151 1    812952 1      C-13-H3C(O)CH3
  421560.6815  0.1127 -6.2009 3 1615.9170D04  595161404813051 2    813052 2      C-13-H3C(O)CH3
  421560.6815  0.1127 -6.2009 3 1615.9170D04  595161404813151 2    812952 2      C-13-H3C(O)CH3
  421587.8573  0.0144 -6.1307 3  366.6104300  595161404372017 3    371720 3      C-13-H3C(O)CH3
  421589.2135  0.0031 -3.3433 3  141.4006360 -5951614042219 3 1    2118 3 1      C-13-H3C(O)CH3
  421590.3817  0.0141 -6.1307 3  366.6104300  595161404372017 4    371720 4      C-13-H3C(O)CH3
  421593.7304  0.0403 -6.5426 3  755.8905792  5951614044944 5 0    4845 4 0      C-13-H3C(O)CH3
  421593.7304  0.0403 -6.5426 3  755.8905792  5951614044944 6 0    4845 3 0      C-13-H3C(O)CH3
  421597.7702  0.1242 -6.1446 3 1615.8988D04  595161404813151 0    813052 0      C-13-H3C(O)CH3
  421597.7702  0.1242 -6.1446 3 1615.8988D04  595161404813051 0    812952 0      C-13-H3C(O)CH3
  421601.9907  0.0268 -5.6799 3  541.2072348  595161404433310 4    4234 8 4      C-13-H3C(O)CH3
  421616.6974  0.0526 -6.5725 3  523.9177348  595161404433013 3    432717 3      C-13-H3C(O)CH3
  421621.6685  0.0225 -5.6787 3  541.1538348  595161404433311 4    4234 9 4      C-13-H3C(O)CH3
  421627.7871  0.0070 -3.7773 3  166.3937408 -595161404251610 2    2415 9 2      C-13-H3C(O)CH3
  421634.8358  0.0121 -5.8295 3  366.6391600  595161404372017 1    371720 1      C-13-H3C(O)CH3
  421636.6698  0.0080 -6.3371 3  248.1072252  595161404311516 3    311219 3      C-13-H3C(O)CH3
  421636.9251  0.0087 -6.3371 3  248.1072252  595161404311516 4    311219 4      C-13-H3C(O)CH3
  421636.9914  0.0032 -3.3431 3  141.4121360 -5951614042219 3 2    2118 3 2      C-13-H3C(O)CH3
  421655.5820  0.0030 -3.6443 3  141.2860180 -5951614042219 4 4    2118 4 4      C-13-H3C(O)CH3
  421657.3644  0.0204 -6.4414 3  287.4535504  5951614043126 5 0    3123 8 0      C-13-H3C(O)CH3
  421664.7605  0.0476 -6.5754 3  715.8036388  5951614044842 6 4    4743 4 4      C-13-H3C(O)CH3
  421668.9957  1.0404 -6.6980 3 1142.1295516  595161404644123 4    643826 4      C-13-H3C(O)CH3
  421675.8670  0.0204 -6.4413 3  287.4529504  5951614043126 6 0    3123 9 0      C-13-H3C(O)CH3
  421688.4527  0.0077 -6.0355 3  248.1232504  595161404311516 2    311219 2      C-13-H3C(O)CH3
  421728.6360  0.0079 -6.3369 3  248.1072252  595161404311616 3    311319 3      C-13-H3C(O)CH3
  421728.6391  0.0087 -6.3369 3  248.1072252  595161404311616 4    311319 4      C-13-H3C(O)CH3
  421733.6946  0.0237 -5.6793 3  541.1743348  595161404433311 3    4234 9 3      C-13-H3C(O)CH3
  421742.0559  0.0491 -5.7088 3 1088.5661B12  595161404692050 0    691951 0      C-13-H3C(O)CH3
  421742.0559  0.0491 -5.3510 3 1088.5661B12  595161404692050 0    691851 0      C-13-H3C(O)CH3
  421742.0559  0.0491 -5.7088 3 1088.5661B12  595161404691950 0    691851 0      C-13-H3C(O)CH3
  421742.0559  0.0491 -5.3510 3 1088.5661B12  595161404691950 0    691951 0      C-13-H3C(O)CH3
  421750.6478  0.0078 -6.0350 3  248.1255504  595161404311516 1    311219 1      C-13-H3C(O)CH3
  421755.2705  0.0030 -3.3429 3  141.3510360 -5951614042219 4 2    2118 4 2      C-13-H3C(O)CH3
  421755.4994  0.0336 -6.2729 3  715.7836776  5951614044842 6 1    4743 4 1      C-13-H3C(O)CH3
  421760.2957  0.0029 -3.3429 3  141.3372360 -5951614042219 4 1    2118 4 1      C-13-H3C(O)CH3
  421770.4604  0.0101 -5.6794 3   67.0094264  5951614041613 4 1    1510 6 1      C-13-H3C(O)CH3
  421781.7084  0.0077 -6.0353 3  248.1232504  595161404311616 2    311319 2      C-13-H3C(O)CH3
  421794.3751  0.0659 -5.6642 3  416.1757808  59516140450 149 2    50 050 2      C-13-H3C(O)CH3
  421794.3751  0.0659 -5.6642 3  416.1757808  59516140450 249 2    50 150 2      C-13-H3C(O)CH3
  421794.3751  0.0659 -5.1432 3  416.1757808  59516140450 149 2    50 150 2      C-13-H3C(O)CH3
  421794.3751  0.0659 -5.1432 3  416.1757808  59516140450 249 2    50 050 2      C-13-H3C(O)CH3
  421795.9874  0.0690 -5.0291 3  416.1760808  59516140450 249 1    50 150 1      C-13-H3C(O)CH3
  421795.9874  0.0690 -5.0291 3  416.1760808  59516140450 149 1    50 050 1      C-13-H3C(O)CH3
  421802.3864  0.0071 -6.0340 3  248.1415504  595161404311516 0    311219 0      C-13-H3C(O)CH3
  421818.7641  0.0579 -5.2083 3 1088.5723B12  595161404691950 1    691851 1      C-13-H3C(O)CH3
  421818.7641  0.0579 -6.6480 3 1088.5723B12  595161404692050 1    691851 1      C-13-H3C(O)CH3
  421818.7641  0.0579 -6.6480 3 1088.5723B12  595161404691950 1    691951 1      C-13-H3C(O)CH3
  421818.7641  0.0579 -5.2083 3 1088.5723B12  595161404692050 1    691951 1      C-13-H3C(O)CH3
  421822.5306  0.0596 -5.7486 3 1088.5725B12  595161404691950 2    691851 2      C-13-H3C(O)CH3
  421822.5306  0.0596 -5.3344 3 1088.5725B12  595161404691950 2    691951 2      C-13-H3C(O)CH3
  421822.5306  0.0596 -5.3344 3 1088.5725B12  595161404692050 2    691851 2      C-13-H3C(O)CH3
  421822.5306  0.0596 -5.7486 3 1088.5725B12  595161404692050 2    691951 2      C-13-H3C(O)CH3
  421829.8900  0.0065 -4.0818 3  140.1607188  5951614042315 8 3    2214 9 3      C-13-H3C(O)CH3
  421830.0665  0.0060 -3.7761 3  166.3953408 -595161404251610 0    2415 9 0      C-13-H3C(O)CH3
  421832.2921  0.0050 -3.7794 3  140.1555376  5951614042315 8 2    2214 9 2      C-13-H3C(O)CH3
  421838.1871  0.0484 -6.5434 3  755.8814792  5951614044944 6 2    4845 4 2      C-13-H3C(O)CH3
  421840.7483  0.0078 -6.0348 3  248.1255504  595161404311616 1    311319 1      C-13-H3C(O)CH3
  421841.8125  0.0025 -3.6593 3  293.6003316 -59516140439 534 4    38 633 4      C-13-H3C(O)CH3
  421841.8125  0.0025 -4.8569 3  293.6002316 -59516140439 534 3    38 633 3      C-13-H3C(O)CH3
  421841.8125  0.0025 -4.8569 3  293.6002316 -59516140439 634 3    38 533 3      C-13-H3C(O)CH3
  421841.8125  0.0025 -3.6593 3  293.6003316 -59516140439 634 4    38 533 4      C-13-H3C(O)CH3
  421841.8513  0.0025 -5.5406 3  293.6003316  59516140439 534 4    38 533 4      C-13-H3C(O)CH3
  421841.8513  0.0025 -5.5406 3  293.6003316  59516140439 634 4    38 633 4      C-13-H3C(O)CH3
  421841.8813  0.0025 -3.6817 3  293.6002316  59516140439 534 3    38 533 3      C-13-H3C(O)CH3
  421841.8813  0.0025 -3.6817 3  293.6002316  59516140439 634 3    38 633 3      C-13-H3C(O)CH3
  421847.0639  0.0506 -6.2165 3  523.9300696  595161404433013 2    432717 2      C-13-H3C(O)CH3
  421860.5287  0.0032 -3.3425 3  141.4022360 -5951614042219 4 0    2118 3 0      C-13-H3C(O)CH3
  421860.8173  0.0032 -3.3425 3  141.4022360 -5951614042219 3 0    2118 4 0      C-13-H3C(O)CH3
  421878.9619  0.0040 -3.7762 3  140.1533376 -5951614042315 8 0    2214 9 0      C-13-H3C(O)CH3
  421883.4545  0.0030 -5.3099 3  293.6001632 -59516140439 634 1    38 533 1      C-13-H3C(O)CH3
  421883.4545  0.0030 -3.3574 3  293.6001632 -59516140439 534 1    38 533 1      C-13-H3C(O)CH3
  421883.4818  0.0030 -5.3099 3  293.6001632  59516140439 534 1    38 633 1      C-13-H3C(O)CH3
  421883.4818  0.0030 -3.3574 3  293.6001632  59516140439 634 1    38 633 1      C-13-H3C(O)CH3
  421883.8885  0.0030 -4.0592 3  293.5996632  59516140439 534 2    38 533 2      C-13-H3C(O)CH3
  421883.8885  0.0030 -3.4476 3  293.5996632  59516140439 634 2    38 533 2      C-13-H3C(O)CH3
  421883.9500  0.0030 -3.4476 3  293.5996632 -59516140439 534 2    38 633 2      C-13-H3C(O)CH3
  421883.9500  0.0030 -4.0592 3  293.5996632 -59516140439 634 2    38 633 2      C-13-H3C(O)CH3
  421893.8003  0.0071 -6.0338 3  248.1415504  595161404311616 0    311319 0      C-13-H3C(O)CH3
  421899.3517  0.0437 -6.3513 3 1088.5787556  595161404691950 3    691951 3      C-13-H3C(O)CH3
  421899.3517  0.0437 -5.5586 3 1088.5787556  595161404691950 3    691851 3      C-13-H3C(O)CH3
  421899.3517  0.0437 -5.5586 3 1088.5787556  595161404692050 3    691951 3      C-13-H3C(O)CH3
  421899.3517  0.0437 -6.3513 3 1088.5787556  595161404692050 3    691851 3      C-13-H3C(O)CH3
  421899.5269  0.0438 -5.5891 3 1088.5787556  595161404691950 4    691951 4      C-13-H3C(O)CH3
  421899.5269  0.0438 -6.1986 3 1088.5787556  595161404691950 4    691851 4      C-13-H3C(O)CH3
  421899.5269  0.0438 -5.5891 3 1088.5787556  595161404692050 4    691851 4      C-13-H3C(O)CH3
  421899.5269  0.0438 -6.1986 3 1088.5787556  595161404692050 4    691951 4      C-13-H3C(O)CH3
  421917.1206  0.0193 -4.2235 3  145.4136188  5951614042317 7 3    2216 6 3      C-13-H3C(O)CH3
  421925.3639  0.0024 -3.8987 3  293.5995632 -59516140439 634 0    38 533 0      C-13-H3C(O)CH3
  421925.3639  0.0024 -3.8987 3  293.5995632 -59516140439 534 0    38 633 0      C-13-H3C(O)CH3
  421925.4055  0.0024 -3.4978 3  293.5995632  59516140439 634 0    38 633 0      C-13-H3C(O)CH3
  421925.4055  0.0024 -3.4978 3  293.5995632  59516140439 534 0    38 533 0      C-13-H3C(O)CH3
  421935.2926  0.0057 -5.3213 3   54.4974140  59516140417 413 3    16 314 3      C-13-H3C(O)CH3
  421935.2966  0.0057 -5.3213 3   54.4974140  59516140417 513 3    16 214 3      C-13-H3C(O)CH3
  421935.5984  0.0072 -5.3213 3   54.4974140  59516140417 413 4    16 314 4      C-13-H3C(O)CH3
  421935.6023  0.0072 -5.3213 3   54.4974140  59516140417 513 4    16 214 4      C-13-H3C(O)CH3
  421950.3156  0.0455 -6.5753 3  715.7597388  5951614044842 7 3    4743 5 3      C-13-H3C(O)CH3
  421951.4154  0.0353 -6.2733 3  715.7605776  5951614044842 6 2    4743 4 2      C-13-H3C(O)CH3
  421961.9998  0.0050 -3.7835 3  140.1574376  5951614042315 8 1    2214 9 1      C-13-H3C(O)CH3
  422004.0203  0.0071 -4.0935 3  140.1584188  5951614042315 8 4    2214 9 4      C-13-H3C(O)CH3
  422012.7969  0.0073 -5.8569 3   93.2239156  5951614041913 6 4    1810 8 4      C-13-H3C(O)CH3
  422022.3493  0.0065 -5.9677 3   93.1992312  5951614041913 6 1    1810 8 1      C-13-H3C(O)CH3
  422035.5858  0.0845 -6.5398 3  594.8079372  595161404463115 4    462819 4      C-13-H3C(O)CH3
  422037.7698  0.0391 -5.7522 3  446.9856824  59516140451 249 0    51 250 0      C-13-H3C(O)CH3
  422037.7698  0.0391 -4.8454 3  446.9856824  59516140451 349 0    51 250 0      C-13-H3C(O)CH3
  422037.7698  0.0391 -5.7522 3  446.9856824  59516140451 349 0    51 150 0      C-13-H3C(O)CH3
  422037.7698  0.0391 -4.8454 3  446.9856824  59516140451 249 0    51 150 0      C-13-H3C(O)CH3
  422039.5915  0.0371 -6.2728 3  715.7396776  5951614044842 7 1    4743 5 1      C-13-H3C(O)CH3
  422041.8179  0.0317 -6.2718 3  715.7404776  5951614044842 6 0    4743 5 0      C-13-H3C(O)CH3
  422041.8179  0.0317 -6.2718 3  715.7404776  5951614044842 7 0    4743 4 0      C-13-H3C(O)CH3
  422086.9703  0.0101 -5.6920 3   67.0096264  5951614041613 4 2    1510 6 2      C-13-H3C(O)CH3
  422097.8721  0.0441 -6.5741 3  715.7722388  5951614044842 6 3    4743 4 3      C-13-H3C(O)CH3
  422161.5126  0.0071 -6.1355 3   93.1915312  5951614041913 6 2    1810 8 2      C-13-H3C(O)CH3
  422165.5844  0.0125 -6.1144 3   67.0428132  5951614041613 4 3    1510 6 3      C-13-H3C(O)CH3
  422276.9773  0.4231 -6.6170 3 1355.5984B28  595161404704327 2    704030 2      C-13-H3C(O)CH3
  422282.9560  0.5618 -6.6176 3 1355.5915B28  595161404704327 0    704030 0      C-13-H3C(O)CH3
  422304.3179  0.0030 -3.8055 3  145.4576188  5951614042317 6 4    2216 6 4      C-13-H3C(O)CH3
  422308.7075  0.0041 -4.0093 3  145.4136188  5951614042317 6 3    2216 6 3      C-13-H3C(O)CH3
  422333.1180  0.0070 -5.0189 3   54.4403280  59516140417 413 2    16 314 2      C-13-H3C(O)CH3
  422333.1221  0.0070 -5.0189 3   54.4403280  59516140417 513 2    16 214 2      C-13-H3C(O)CH3
  422340.2573  0.0069 -5.0191 3   54.4409280  59516140417 413 1    16 314 1      C-13-H3C(O)CH3
  422340.2613  0.0069 -5.0191 3   54.4409280  59516140417 513 1    16 214 1      C-13-H3C(O)CH3
  422357.7231  0.0452 -5.2219 3 1047.1792A96  595161404681850 0    681751 0      C-13-H3C(O)CH3
  422357.7231  0.0452 -5.8370 3 1047.1792A96  595161404681950 0    681751 0      C-13-H3C(O)CH3
  422357.7231  0.0452 -5.8370 3 1047.1792A96  595161404681850 0    681851 0      C-13-H3C(O)CH3
  422357.7231  0.0452 -5.2219 3 1047.1792A96  595161404681950 0    681851 0      C-13-H3C(O)CH3
  422380.9976  0.0480 -6.5740 3  715.7283388  5951614044842 7 4    4743 5 4      C-13-H3C(O)CH3
  422382.6531  0.0361 -6.2721 3  715.7291776  5951614044842 7 2    4743 5 2      C-13-H3C(O)CH3
  422404.1909  0.0122 -5.9886 3   67.0428132  5951614041613 3 3    1510 6 3      C-13-H3C(O)CH3
  422413.5826  0.5419 -6.6165 3 1355.5885B28  595161404704327 1    704030 1      C-13-H3C(O)CH3
  422445.7091  0.0538 -5.5821 3 1047.1812A96  595161404681850 1    681851 1      C-13-H3C(O)CH3
  422445.7091  0.0538 -5.5821 3 1047.1812A96  595161404681950 1    681751 1      C-13-H3C(O)CH3
  422445.7091  0.0538 -5.3150 3 1047.1812A96  595161404681850 1    681751 1      C-13-H3C(O)CH3
  422445.7091  0.0538 -5.3150 3 1047.1812A96  595161404681950 1    681851 1      C-13-H3C(O)CH3
  422448.8160  0.0550 -5.1766 3 1047.1813A96  595161404681850 2    681751 2      C-13-H3C(O)CH3
  422448.8160  0.0550 -6.0965 3 1047.1813A96  595161404681850 2    681851 2      C-13-H3C(O)CH3
  422448.8160  0.0550 -6.0965 3 1047.1813A96  595161404681950 2    681751 2      C-13-H3C(O)CH3
  422448.8160  0.0550 -5.1766 3 1047.1813A96  595161404681950 2    681851 2      C-13-H3C(O)CH3
  422459.7531  0.0027 -3.4994 3  145.4277376 -5951614042317 7 0    2216 6 0      C-13-H3C(O)CH3
  422465.7957  0.9180 -6.3232 3 1073.3451A00  595161404624022 2    623725 2      C-13-H3C(O)CH3
  422476.6213  0.0044 -4.0087 3  145.3950188  5951614042317 7 3    2216 7 3      C-13-H3C(O)CH3
  422481.1038  0.0915 -6.5240 3 1567.6574644  595161404803051 4    802852 4      C-13-H3C(O)CH3
  422481.1038  0.0915 -6.5240 3 1567.6574644  595161404802951 4    802952 4      C-13-H3C(O)CH3
  422481.1348  0.0916 -6.4220 3 1567.6573644  595161404803051 3    802952 3      C-13-H3C(O)CH3
  422481.1348  0.0916 -6.4220 3 1567.6573644  595161404802951 3    802852 3      C-13-H3C(O)CH3
  422482.1228  0.0027 -3.5124 3  145.4401376 -5951614042317 6 1    2216 6 1      C-13-H3C(O)CH3
  422482.7286  0.0029 -3.8061 3  145.3508188 -5951614042317 7 4    2216 7 4      C-13-H3C(O)CH3
  422502.2050  0.0082 -5.0964 3  370.5948300  595161404372216 3    362313 3      C-13-H3C(O)CH3
  422502.5503  0.0068 -5.0966 3  370.5946300  595161404372216 4    362313 4      C-13-H3C(O)CH3
  422509.0350  0.0598 -6.5246 3  523.9157348  595161404433013 4    432717 4      C-13-H3C(O)CH3
  422512.6327  0.1011 -6.1319 3 1567.6374C88  595161404802951 1    802952 1      C-13-H3C(O)CH3
  422512.6327  0.1011 -6.6497 3 1567.6374C88  595161404803051 1    802952 1      C-13-H3C(O)CH3
  422512.6327  0.1011 -6.6497 3 1567.6374C88  595161404802951 1    802852 1      C-13-H3C(O)CH3
  422512.6327  0.1011 -6.1319 3 1567.6374C88  595161404803051 1    802852 1      C-13-H3C(O)CH3
  422515.8532  0.0993 -6.0205 3 1567.6404C88  595161404802951 2    802852 2      C-13-H3C(O)CH3
  422515.8532  0.0993 -6.0205 3 1567.6404C88  595161404803051 2    802952 2      C-13-H3C(O)CH3
  422536.9227  0.0411 -5.7507 3 1047.1833548  595161404681850 3    681851 3      C-13-H3C(O)CH3
  422536.9227  0.0411 -5.7086 3 1047.1833548  595161404681850 3    681751 3      C-13-H3C(O)CH3
  422536.9227  0.0411 -5.7086 3 1047.1833548  595161404681950 3    681851 3      C-13-H3C(O)CH3
  422536.9227  0.0411 -5.7507 3 1047.1833548  595161404681950 3    681751 3      C-13-H3C(O)CH3
  422537.1101  0.0412 -5.4285 3 1047.1833548  595161404681850 4    681851 4      C-13-H3C(O)CH3
  422537.1101  0.0412 -5.4285 3 1047.1833548  595161404681950 4    681751 4      C-13-H3C(O)CH3
  422538.6393  0.0605 -5.0308 3  416.1100808  59516140450 149 0    50 050 0      C-13-H3C(O)CH3
  422538.6393  0.0605 -5.0269 3  416.1100808  59516140450 249 0    50 150 0      C-13-H3C(O)CH3
  422538.9045  0.0029 -3.5182 3  145.4397376 -5951614042317 6 2    2216 6 2      C-13-H3C(O)CH3
  422547.3503  0.1076 -6.0662 3 1567.6205C88  595161404803051 0    802952 0      C-13-H3C(O)CH3
  422547.3503  0.1076 -6.0662 3 1567.6205C88  595161404802951 0    802852 0      C-13-H3C(O)CH3
  422575.8519  0.0070 -4.7942 3  370.6136600  595161404372216 2    362313 2      C-13-H3C(O)CH3
  422579.5230  0.0069 -4.7969 3  370.6191600  595161404372216 1    362313 1      C-13-H3C(O)CH3
  422607.5128  0.0027 -3.5126 3  145.3796376 -5951614042317 7 1    2216 7 1      C-13-H3C(O)CH3
  422654.7577  0.0060 -4.7957 3  370.6379600  595161404372216 0    362313 0      C-13-H3C(O)CH3
  422655.3741  0.0028 -3.5186 3  145.3911376 -5951614042317 7 2    2216 7 2      C-13-H3C(O)CH3
  422666.0006  0.0276 -6.0337 3  676.9275760  5951614044740 7 1    4641 5 1      C-13-H3C(O)CH3
  422684.4591  0.6336 -6.3240 3 1073.3392A00  595161404624022 1    623725 1      C-13-H3C(O)CH3
  422729.3414  0.0358 -6.3358 3  676.9422380  5951614044740 7 4    4641 5 4      C-13-H3C(O)CH3
  422737.1833  0.0069 -5.0177 3   54.3840280  59516140417 413 0    16 314 0      C-13-H3C(O)CH3
  422737.1875  0.0069 -5.0177 3   54.3840280  59516140417 513 0    16 214 0      C-13-H3C(O)CH3
  422862.6524  0.0271 -6.0326 3  676.8938760  5951614044740 7 0    4641 6 0      C-13-H3C(O)CH3
  422862.6524  0.0271 -6.0326 3  676.8938760  5951614044740 8 0    4641 5 0      C-13-H3C(O)CH3
  422868.2082  0.0189 -4.2221 3  145.3950188  5951614042317 6 3    2216 7 3      C-13-H3C(O)CH3
  422925.0910  0.0289 -6.0337 3  676.9087760  5951614044740 7 2    4641 5 2      C-13-H3C(O)CH3
  422934.5421  0.0024 -3.6320 3  297.9016324 -59516140440 436 4    39 535 4      C-13-H3C(O)CH3
  422934.5421  0.0024 -3.6773 3  297.9015324 -59516140440 436 3    39 535 3      C-13-H3C(O)CH3
  422934.5421  0.0024 -4.2031 3  297.9015324 -59516140440 536 3    39 435 3      C-13-H3C(O)CH3
  422934.5509  0.0024 -3.6320 3  297.9016324  59516140440 536 4    39 435 4      C-13-H3C(O)CH3
  422934.5648  0.0024 -3.7677 3  297.9015324  59516140440 436 3    39 435 3      C-13-H3C(O)CH3
  422934.5648  0.0024 -4.6353 3  297.9015324  59516140440 536 3    39 535 3      C-13-H3C(O)CH3
  422950.9605  0.0409 -5.0772 3 1006.3708A80  595161404671850 0    671751 0      C-13-H3C(O)CH3
  422950.9605  0.0409 -6.6041 3 1006.3708A80  595161404671850 0    671651 0      C-13-H3C(O)CH3
  422950.9605  0.0409 -5.0772 3 1006.3708A80  595161404671750 0    671651 0      C-13-H3C(O)CH3
  422950.9605  0.0409 -6.6041 3 1006.3708A80  595161404671750 0    671751 0      C-13-H3C(O)CH3
  422960.0378  0.0319 -6.0333 3  676.8837760  5951614044740 8 1    4641 6 1      C-13-H3C(O)CH3
  422973.9006  0.0030 -4.2863 3  297.8940648  59516140440 436 1    39 535 1      C-13-H3C(O)CH3
  422973.9006  0.0030 -3.3818 3  297.8940648  59516140440 536 1    39 535 1      C-13-H3C(O)CH3
  422973.9750  0.0030 -3.3818 3  297.8940648 -59516140440 436 1    39 435 1      C-13-H3C(O)CH3
  422973.9750  0.0030 -3.3478 3  297.8935648 -59516140440 436 2    39 535 2      C-13-H3C(O)CH3
  422973.9750  0.0030 -3.3478 3  297.8935648 -59516140440 536 2    39 435 2      C-13-H3C(O)CH3
  422973.9750  0.0030 -4.2863 3  297.8940648 -59516140440 536 1    39 435 1      C-13-H3C(O)CH3
  422974.1583  0.0030 -4.7471 3  297.8935648  59516140440 536 2    39 535 2      C-13-H3C(O)CH3
  422974.1583  0.0030 -4.7471 3  297.8935648  59516140440 436 2    39 435 2      C-13-H3C(O)CH3
  423013.3912  0.0024 -4.4252 3  297.8860648 -59516140440 436 0    39 435 0      C-13-H3C(O)CH3
  423013.3912  0.0024 -4.4252 3  297.8860648 -59516140440 536 0    39 535 0      C-13-H3C(O)CH3
  423013.4111  0.0024 -3.3672 3  297.8860648  59516140440 536 0    39 435 0      C-13-H3C(O)CH3
  423013.4111  0.0024 -3.3672 3  297.8860648  59516140440 436 0    39 535 0      C-13-H3C(O)CH3
  423023.7552  0.0370 -6.3354 3  676.8986380  5951614044740 8 3    4641 6 3      C-13-H3C(O)CH3
  423035.9246  0.0027 -3.4985 3  145.4141376 -5951614042317 6 0    2216 7 0      C-13-H3C(O)CH3
  423048.4491  0.0489 -6.2096 3 1006.3683A80  595161404671850 1    671751 1      C-13-H3C(O)CH3
  423048.4491  0.0489 -6.2096 3 1006.3683A80  595161404671750 1    671651 1      C-13-H3C(O)CH3
  423048.4491  0.0489 -5.0965 3 1006.3683A80  595161404671850 1    671651 1      C-13-H3C(O)CH3
  423048.4491  0.0489 -5.0965 3 1006.3683A80  595161404671750 1    671751 1      C-13-H3C(O)CH3
  423050.8880  0.0496 -5.0713 3 1006.3682A80  595161404671750 2    671751 2      C-13-H3C(O)CH3
  423050.8880  0.0496 -5.0713 3 1006.3682A80  595161404671850 2    671651 2      C-13-H3C(O)CH3
  423051.6611  0.0347 -6.3345 3  676.9164380  5951614044740 7 3    4641 5 3      C-13-H3C(O)CH3
  423148.5033  0.0385 -5.3800 3 1006.3656540  595161404671750 3    671751 3      C-13-H3C(O)CH3
  423148.5033  0.0385 -5.3692 3 1006.3656540  595161404671850 3    671651 3      C-13-H3C(O)CH3
  423148.6963  0.0385 -5.5971 3 1006.3656540  595161404671750 4    671751 4      C-13-H3C(O)CH3
  423148.6963  0.0385 -5.7481 3 1006.3656540  595161404671750 4    671651 4      C-13-H3C(O)CH3
  423148.6963  0.0385 -6.4953 3 1006.3656540  595161404671850 4    671651 4      C-13-H3C(O)CH3
  423148.6963  0.0385 -5.3985 3 1006.3656540  595161404671850 4    671751 4      C-13-H3C(O)CH3
  423246.8394  0.0299 -6.0324 3  676.8827760  5951614044740 8 2    4641 6 2      C-13-H3C(O)CH3
  423344.0087  0.0399 -6.3341 3  676.8726380  5951614044740 8 4    4641 6 4      C-13-H3C(O)CH3
  423405.8579  0.0834 -6.2313 3 1519.9480636  595161404792951 4    792752 4      C-13-H3C(O)CH3
  423405.8579  0.0834 -6.2313 3 1519.9480636  595161404792851 4    792852 4      C-13-H3C(O)CH3
  423405.8731  0.0834 -6.2805 3 1519.9480636  595161404792951 3    792752 3      C-13-H3C(O)CH3
  423405.8731  0.0834 -6.2805 3 1519.9480636  595161404792851 3    792852 3      C-13-H3C(O)CH3
  423430.4609  0.0881 -5.9383 3 1519.9268C72  595161404792951 1    792752 1      C-13-H3C(O)CH3
  423430.4609  0.0881 -5.9383 3 1519.9268C72  595161404792851 1    792852 1      C-13-H3C(O)CH3
  423434.6636  0.0890 -5.9351 3 1519.9295C72  595161404792951 2    792752 2      C-13-H3C(O)CH3
  423434.6636  0.0890 -5.9351 3 1519.9295C72  595161404792851 2    792852 2      C-13-H3C(O)CH3
  423459.2625  0.0940 -6.0538 3 1519.9084C72  595161404792851 0    792752 0      C-13-H3C(O)CH3
  423459.2625  0.0940 -6.5345 3 1519.9084C72  595161404792951 0    792752 0      C-13-H3C(O)CH3
  423459.2625  0.0940 -6.5345 3 1519.9084C72  595161404792851 0    792852 0      C-13-H3C(O)CH3
  423459.2625  0.0940 -6.0538 3 1519.9084C72  595161404792951 0    792852 0      C-13-H3C(O)CH3
  423472.6987  0.0024 -4.0110 3  233.5951244  595161404301515 3    291614 3      C-13-H3C(O)CH3
  423473.6085  0.0022 -4.0110 3  233.5951244  595161404301515 4    291614 4      C-13-H3C(O)CH3
  423523.5321  0.0364 -5.6122 3  966.1417A64  595161404661750 0    661651 0      C-13-H3C(O)CH3
  423523.5321  0.0364 -5.6122 3  966.1417A64  595161404661650 0    661551 0      C-13-H3C(O)CH3
  423523.5321  0.0364 -5.1272 3  966.1417A64  595161404661650 0    661651 0      C-13-H3C(O)CH3
  423523.5321  0.0364 -5.1272 3  966.1417A64  595161404661750 0    661551 0      C-13-H3C(O)CH3
  423535.2812  0.0022 -3.9331 3  243.7090252  595161404311417 4    301516 4      C-13-H3C(O)CH3
  423535.4808  0.0022 -3.9331 3  243.7090252  595161404311417 3    301516 3      C-13-H3C(O)CH3
  423541.0750  0.0024 -3.7100 3  233.6132488 -595161404301515 1    291614 1      C-13-H3C(O)CH3
  423543.6650  0.0024 -3.7104 3  233.6080488 -595161404301515 2    291614 2      C-13-H3C(O)CH3
  423563.9226  0.0138 -6.5973 3   55.0066232  5951614041414 1 1    1311 3 1      C-13-H3C(O)CH3
  423575.7425  0.0022 -3.9330 3  243.7079252  595161404311517 4    301416 4      C-13-H3C(O)CH3
  423576.0814  0.0022 -3.9330 3  243.7079252  595161404311517 3    301416 3      C-13-H3C(O)CH3
  423588.6154  0.0024 -3.6321 3  243.7284504 -595161404311417 1    301516 1      C-13-H3C(O)CH3
  423599.2138  0.0024 -3.6322 3  243.7246504 -595161404311417 2    301516 2      C-13-H3C(O)CH3
  423611.7907  0.0022 -3.7104 3  233.6262488 -595161404301515 0    291614 0      C-13-H3C(O)CH3
  423628.0498  0.0434 -5.2308 3  966.1343A64  595161404661650 1    661651 1      C-13-H3C(O)CH3
  423628.0498  0.0434 -5.3944 3  966.1343A64  595161404661650 1    661551 1      C-13-H3C(O)CH3
  423628.0498  0.0434 -5.2308 3  966.1343A64  595161404661750 1    661551 1      C-13-H3C(O)CH3
  423628.0498  0.0434 -5.3944 3  966.1343A64  595161404661750 1    661651 1      C-13-H3C(O)CH3
  423628.2564  0.0024 -3.6320 3  243.7273504 -595161404311517 1    301416 1      C-13-H3C(O)CH3
  423629.8458  0.0438 -5.0242 3  966.1342A64  595161404661650 2    661551 2      C-13-H3C(O)CH3
  423629.8458  0.0438 -5.0242 3  966.1342A64  595161404661750 2    661651 2      C-13-H3C(O)CH3
  423629.8458  0.0438 -6.3448 3  966.1342A64  595161404661750 2    661551 2      C-13-H3C(O)CH3
  423629.8458  0.0438 -6.3448 3  966.1342A64  595161404661650 2    661651 2      C-13-H3C(O)CH3
  423635.2006  0.0130 -6.5991 3   55.0159232  5951614041414 1 2    1311 3 2      C-13-H3C(O)CH3
  423640.5409  0.0024 -3.6321 3  243.7235504 -595161404311517 2    301416 2      C-13-H3C(O)CH3
  423649.2488  0.0074 -5.4483 3   66.9804264  5951614041613 3 0    1510 6 0      C-13-H3C(O)CH3
  423652.2582  0.0021 -3.6323 3  243.7440504 -595161404311417 0    301516 0      C-13-H3C(O)CH3
  423692.9082  0.0021 -3.6322 3  243.7430504 -595161404311517 0    301416 0      C-13-H3C(O)CH3
  423734.4939  0.0360 -6.4751 3  966.1269532  595161404661650 3    661551 3      C-13-H3C(O)CH3
  423734.4939  0.0360 -6.4751 3  966.1269532  595161404661750 3    661651 3      C-13-H3C(O)CH3
  423734.4939  0.0360 -5.3350 3  966.1269532  595161404661650 3    661651 3      C-13-H3C(O)CH3
  423734.4939  0.0360 -5.3350 3  966.1269532  595161404661750 3    661551 3      C-13-H3C(O)CH3
  423734.6840  0.0360 -5.3157 3  966.1268532  595161404661750 4    661651 4      C-13-H3C(O)CH3
  423734.6840  0.0360 -5.3157 3  966.1268532  595161404661650 4    661551 4      C-13-H3C(O)CH3
  423735.8031  0.0172 -4.9873 3  452.6141648  595161404402813 2    392911 2      C-13-H3C(O)CH3
  423781.8328  0.0155 -4.9868 3  452.6312648  595161404402813 0    392910 0      C-13-H3C(O)CH3
  423790.6043  0.0127 -6.6033 3   55.0845232  5951614041414 0 1    1311 2 1      C-13-H3C(O)CH3
  423821.1329  0.0024 -3.8795 3  253.1418260 -595161404321319 4    311418 4      C-13-H3C(O)CH3
  423821.1329  0.0023 -3.8795 3  253.1418260 -595161404321319 3    311418 3      C-13-H3C(O)CH3
  423821.8050  0.0023 -3.8795 3  253.1418260 -595161404321419 3    311318 3      C-13-H3C(O)CH3
  423821.8050  0.0024 -3.8795 3  253.1418260 -595161404321419 4    311318 4      C-13-H3C(O)CH3
  423868.8062  0.0026 -3.5785 3  253.1618520 -595161404321319 1    311418 1      C-13-H3C(O)CH3
  423869.4506  0.0026 -3.5785 3  253.1618520 -595161404321419 1    311318 1      C-13-H3C(O)CH3
  423875.5995  0.0026 -3.5786 3  253.1590520 -595161404321319 2    311418 2      C-13-H3C(O)CH3
  423876.2825  0.0026 -3.5786 3  253.1590520 -595161404321419 2    311318 2      C-13-H3C(O)CH3
  423878.9182  0.0193 -5.2874 3  452.5831324  595161404402813 4    392911 4      C-13-H3C(O)CH3
  423880.0275  0.0156 -4.9866 3  452.6312648  595161404402812 0    392911 0      C-13-H3C(O)CH3
  423890.1266  0.0260 -5.6180 3  544.2933728  595161404452521 0    442618 0      C-13-H3C(O)CH3
  423901.6048  0.0182 -5.2946 3  452.6026324  595161404402813 3    392911 3      C-13-H3C(O)CH3
  423923.0199  0.0022 -3.5786 3  253.1790520 -595161404321319 0    311418 0      C-13-H3C(O)CH3
  423923.7882  0.0022 -3.5786 3  253.1789520 -595161404321419 0    311318 0      C-13-H3C(O)CH3
  423939.5118  0.0101 -5.8259 3  366.6645600  595161404372117 0    371820 0      C-13-H3C(O)CH3
  423948.8935  0.0117 -5.8262 3  366.6359600  595161404372117 2    371820 2      C-13-H3C(O)CH3
  423967.7466  0.0167 -4.9892 3  452.6005648  595161404402813 1    392911 1      C-13-H3C(O)CH3
  423979.2333  0.0256 -6.1735 3  457.6862648  595161404402912 1    402615 1      C-13-H3C(O)CH3
  423996.2984  0.0174 -4.8706 3  145.3911376 -5951614042317 6 2    2216 7 2      C-13-H3C(O)CH3
  424005.0548  0.5106 -6.2494 3 1006.6629968  595161404603921 0    603624 0      C-13-H3C(O)CH3
  424005.3142  0.0161 -4.9896 3  452.6199648  595161404402812 1    392910 1      C-13-H3C(O)CH3
  424017.5719  0.0324 -6.4070 3  457.6685324  595161404402912 4    402615 4      C-13-H3C(O)CH3
  424021.5810  0.0111 -5.8259 3  366.6391600  595161404372117 1    371820 1      C-13-H3C(O)CH3
  424027.8355  0.0159 -4.9873 3  452.6378648  595161404402812 2    392910 2      C-13-H3C(O)CH3
  424031.0022  0.0122 -6.1271 3  366.6105300  595161404372117 4    371820 4      C-13-H3C(O)CH3
  424031.5733  0.0121 -6.1271 3  366.6105300  595161404372117 3    371820 3      C-13-H3C(O)CH3
  424036.3586  0.0024 -3.6449 3  301.6628332 -59516140441 438 3    40 337 3      C-13-H3C(O)CH3
  424036.3586  0.0024 -4.9774 3  301.6628332 -59516140441 438 4    40 437 4      C-13-H3C(O)CH3
  424036.3586  0.0024 -3.6298 3  301.6628332 -59516140441 338 4    40 437 4      C-13-H3C(O)CH3
  424036.3586  0.0024 -3.6449 3  301.6628332 -59516140441 338 3    40 437 3      C-13-H3C(O)CH3
  424036.3656  0.0024 -4.7317 3  301.6628332  59516140441 338 3    40 337 3      C-13-H3C(O)CH3
  424036.3656  0.0024 -4.7317 3  301.6628332  59516140441 438 3    40 437 3      C-13-H3C(O)CH3
  424036.3678  0.0024 -3.6298 3  301.6628332  59516140441 438 4    40 337 4      C-13-H3C(O)CH3
  424036.3678  0.0024 -4.9774 3  301.6628332  59516140441 338 4    40 337 4      C-13-H3C(O)CH3
  424041.4072  0.0123 -6.6054 3   55.0868232  5951614041414 0 2    1311 2 2      C-13-H3C(O)CH3
  424045.1216  0.0257 -5.8170 3  639.3839744  5951614044638 8 1    4539 6 1      C-13-H3C(O)CH3
  424050.6351  0.7822 -6.6166 3 1073.3254500  595161404624022 3    623725 3      C-13-H3C(O)CH3
  424070.2778  0.0106 -5.8247 3   67.0094264  5951614041613 3 1    1510 6 1      C-13-H3C(O)CH3
  424071.7648  0.0029 -3.3491 3  301.6455664  59516140441 438 1    40 337 1      C-13-H3C(O)CH3
  424071.7648  0.0029 -3.3491 3  301.6455664  59516140441 338 1    40 437 1      C-13-H3C(O)CH3
  424071.8375  0.0029 -3.7572 3  301.6451664 -59516140441 338 2    40 337 2      C-13-H3C(O)CH3
  424071.8375  0.0029 -3.5012 3  301.6451664 -59516140441 438 2    40 337 2      C-13-H3C(O)CH3
  424071.8375  0.0029 -4.3702 3  301.6455664 -59516140441 338 1    40 337 1      C-13-H3C(O)CH3
  424071.8375  0.0029 -4.3702 3  301.6455664 -59516140441 438 1    40 437 1      C-13-H3C(O)CH3
  424071.9106  0.0029 -3.7572 3  301.6451664  59516140441 438 2    40 437 2      C-13-H3C(O)CH3
  424071.9106  0.0029 -3.5012 3  301.6451664  59516140441 338 2    40 437 2      C-13-H3C(O)CH3
  424077.2713  0.0317 -6.3949 3  926.4926A48  595161404651550 0    651551 0      C-13-H3C(O)CH3
  424077.2713  0.0317 -4.9625 3  926.4926A48  595161404651550 0    651451 0      C-13-H3C(O)CH3
  424077.2713  0.0317 -4.9625 3  926.4926A48  595161404651650 0    651551 0      C-13-H3C(O)CH3
  424077.2713  0.0317 -6.3949 3  926.4926A48  595161404651650 0    651451 0      C-13-H3C(O)CH3
  424082.9758  0.0252 -5.6161 3  544.2700728  595161404452521 1    442618 1      C-13-H3C(O)CH3
  424107.1971  0.0024 -3.3095 3  301.6279664 -59516140441 338 0    40 437 0      C-13-H3C(O)CH3
  424107.2295  0.0024 -3.3095 3  301.6279664  59516140441 438 0    40 337 0      C-13-H3C(O)CH3
  424137.6854  0.0198 -5.5514 3  356.4659584  595161404362313 2    352411 2      C-13-H3C(O)CH3
  424144.2880  0.0255 -5.8161 3  639.3593744  5951614044638 8 0    4539 7 0      C-13-H3C(O)CH3
  424144.2880  0.0255 -5.8161 3  639.3593744  5951614044638 9 0    4539 6 0      C-13-H3C(O)CH3
  424152.8405  0.0103 -5.8125 3   67.0096264  5951614041613 3 2    1510 6 2      C-13-H3C(O)CH3
  424170.7687  0.0167 -5.2941 3  452.6069324  595161404402812 3    392910 3      C-13-H3C(O)CH3
  424185.5704  0.0378 -4.9911 3  926.4804A48  595161404651550 1    651551 1      C-13-H3C(O)CH3
  424185.5704  0.0378 -5.9565 3  926.4804A48  595161404651550 1    651451 1      C-13-H3C(O)CH3
  424185.5704  0.0378 -5.9565 3  926.4804A48  595161404651650 1    651551 1      C-13-H3C(O)CH3
  424185.5704  0.0378 -4.9911 3  926.4804A48  595161404651650 1    651451 1      C-13-H3C(O)CH3
  424186.7801  0.0379 -6.4851 3  926.4803A48  595161404651650 2    651451 2      C-13-H3C(O)CH3
  424186.7801  0.0379 -4.9592 3  926.4803A48  595161404651650 2    651551 2      C-13-H3C(O)CH3
  424186.7801  0.0379 -4.9592 3  926.4803A48  595161404651550 2    651451 2      C-13-H3C(O)CH3
  424186.7801  0.0379 -6.4851 3  926.4803A48  595161404651550 2    651551 2      C-13-H3C(O)CH3
  424194.2659  0.0168 -5.2877 3  452.6263324  595161404402812 4    392910 4      C-13-H3C(O)CH3
  424232.8402  0.0308 -6.1187 3  639.3962372  5951614044638 8 4    4539 6 4      C-13-H3C(O)CH3
  424266.2883  0.0284 -6.1376 3  457.6877648  595161404402912 2    402615 2      C-13-H3C(O)CH3
  424273.9064  0.9277 -6.6540 3 1073.3258500  595161404624022 4    623725 4      C-13-H3C(O)CH3
  424283.9599  0.0239 -5.9227 3  457.7031648  595161404402912 0    402615 0      C-13-H3C(O)CH3
  424295.0260  0.0167 -5.0496 3  145.3796376  5951614042317 6 1    2216 7 1      C-13-H3C(O)CH3
  424295.2102  0.0335 -5.2680 3  926.4680524  595161404651650 3    651551 3      C-13-H3C(O)CH3
  424295.2102  0.0335 -6.5766 3  926.4680524  595161404651650 3    651451 3      C-13-H3C(O)CH3
  424295.2102  0.0335 -6.5766 3  926.4680524  595161404651550 3    651551 3      C-13-H3C(O)CH3
  424295.2102  0.0335 -5.2680 3  926.4680524  595161404651550 3    651451 3      C-13-H3C(O)CH3
  424295.3865  0.0336 -5.2599 3  926.4680524  595161404651550 4    651451 4      C-13-H3C(O)CH3
  424295.3865  0.0336 -5.2599 3  926.4680524  595161404651650 4    651551 4      C-13-H3C(O)CH3
  424297.0786  0.0767 -6.2215 3 1472.8052628  595161404782851 3    782752 3      C-13-H3C(O)CH3
  424297.0786  0.0767 -6.2215 3 1472.8052628  595161404782751 3    782652 3      C-13-H3C(O)CH3
  424297.0810  0.0767 -6.1474 3 1472.8053628  595161404782851 4    782652 4      C-13-H3C(O)CH3
  424297.0810  0.0767 -6.1474 3 1472.8053628  595161404782751 4    782752 4      C-13-H3C(O)CH3
  424313.4695  0.0790 -6.3238 3 1472.7833C56  595161404782751 1    782652 1      C-13-H3C(O)CH3
  424313.4695  0.0790 -6.0199 3 1472.7833C56  595161404782751 1    782752 1      C-13-H3C(O)CH3
  424313.4695  0.0790 -6.0199 3 1472.7833C56  595161404782851 1    782652 1      C-13-H3C(O)CH3
  424313.4695  0.0790 -6.3238 3 1472.7833C56  595161404782851 1    782752 1      C-13-H3C(O)CH3
  424314.6238  0.0295 -5.8165 3  639.3423744  5951614044638 9 1    4539 7 1      C-13-H3C(O)CH3
  424318.4425  0.0819 -6.2673 3 1472.7856C56  595161404782851 2    782752 2      C-13-H3C(O)CH3
  424318.4425  0.0819 -6.0509 3 1472.7856C56  595161404782851 2    782652 2      C-13-H3C(O)CH3
  424318.4425  0.0819 -6.0509 3 1472.7856C56  595161404782751 2    782752 2      C-13-H3C(O)CH3
  424318.4425  0.0819 -6.2673 3 1472.7856C56  595161404782751 2    782652 2      C-13-H3C(O)CH3
  424322.3834  0.0242 -5.8521 3  356.4407292  595161404362313 4    352411 4      C-13-H3C(O)CH3
  424325.9863  0.0226 -5.8740 3  356.4408292  595161404362313 3    352411 3      C-13-H3C(O)CH3
  424330.5330  0.0258 -5.8168 3  639.3717744  5951614044638 8 2    4539 6 2      C-13-H3C(O)CH3
  424334.8566  0.0835 -5.9270 3 1472.7637C56  595161404782851 0    782652 0      C-13-H3C(O)CH3
  424334.8566  0.0835 -6.6073 3 1472.7637C56  595161404782851 0    782752 0      C-13-H3C(O)CH3
  424334.8566  0.0835 -6.6073 3 1472.7637C56  595161404782751 0    782652 0      C-13-H3C(O)CH3
  424334.8566  0.0835 -5.9270 3 1472.7637C56  595161404782751 0    782752 0      C-13-H3C(O)CH3
  424340.0875  0.0179 -6.2147 3  335.4299568  595161404352213 2    342311 2      C-13-H3C(O)CH3
  424410.2053  0.0473 -5.6123 3  544.2554728  595161404452521 2    442618 2      C-13-H3C(O)CH3
  424410.8504  0.0041 -4.6597 3   86.0664156  59516140419 910 3    18 811 3      C-13-H3C(O)CH3
  424414.0706  0.0060 -4.6597 3   86.0665156  59516140419 910 4    18 811 4      C-13-H3C(O)CH3
  424421.7112  0.0311 -6.1175 3  639.3744372  5951614044638 8 3    4539 6 3      C-13-H3C(O)CH3
  424460.4093  0.0025 -3.8373 3  261.9486268 -595161404331221 3    321320 3      C-13-H3C(O)CH3
  424460.4093  0.0025 -3.8373 3  261.9486268 -595161404331321 4    321220 4      C-13-H3C(O)CH3
  424460.4093  0.0025 -3.8373 3  261.9486268 -595161404331221 4    321320 4      C-13-H3C(O)CH3
  424460.4093  0.0025 -3.8373 3  261.9486268 -595161404331321 3    321220 3      C-13-H3C(O)CH3
  424501.5489  0.0331 -6.1182 3  639.3547372  5951614044638 9 3    4539 7 3      C-13-H3C(O)CH3
  424504.8957  0.0027 -3.5363 3  261.9685536 -595161404331321 1    321220 1      C-13-H3C(O)CH3
  424504.8957  0.0027 -3.5363 3  261.9685536 -595161404331221 1    321320 1      C-13-H3C(O)CH3
  424509.3727  0.0027 -3.5364 3  261.9664536 -595161404331221 2    321320 2      C-13-H3C(O)CH3
  424509.3727  0.0027 -3.5364 3  261.9664536 -595161404331321 2    321220 2      C-13-H3C(O)CH3
  424520.1442  0.0270 -5.8156 3  639.3497744  5951614044638 9 2    4539 7 2      C-13-H3C(O)CH3
  424522.2380  0.0429 -6.6685 3  502.9873340  595161404423013 4    422715 4      C-13-H3C(O)CH3
  424522.9530  0.0337 -6.4653 3  457.6728324  595161404402912 3    402615 3      C-13-H3C(O)CH3
  424535.3834  0.0125 -6.6034 3   55.0254232  5951614041414 1 0    1311 2 0      C-13-H3C(O)CH3
  424544.7851  0.0221 -6.3043 3  335.4062284  595161404352213 3    342311 3      C-13-H3C(O)CH3
  424553.7135  0.0023 -3.5363 3  261.9863536 -595161404331221 0    321320 0      C-13-H3C(O)CH3
  424553.7135  0.0023 -3.5363 3  261.9863536 -595161404331321 0    321220 0      C-13-H3C(O)CH3
  424573.9753  0.0125 -6.6033 3   55.0242232  5951614041414 0 0    1311 3 0      C-13-H3C(O)CH3
  424575.4994  0.0313 -6.2820 3  502.9980680  595161404423013 1    422715 1      C-13-H3C(O)CH3
  424594.0418  0.0488 -5.9115 3  544.2323364  595161404452521 4    442618 4      C-13-H3C(O)CH3
  424605.7766  0.0490 -5.9114 3  544.2319364  595161404452521 3    442618 3      C-13-H3C(O)CH3
  424609.7575  0.0044 -4.3580 3   86.0369312  59516140419 910 2    18 811 2      C-13-H3C(O)CH3
  424611.4745  0.0286 -6.2793 3  457.6862648  595161404402911 1    402615 1      C-13-H3C(O)CH3
  424614.0827  0.0271 -4.8956 3  887.4244A32  595161404641450 0    641351 0      C-13-H3C(O)CH3
  424614.0827  0.0271 -4.9135 3  887.4244A32  595161404641550 0    641451 0      C-13-H3C(O)CH3
  424614.0827  0.0271 -5.7789 3  887.4244A32  595161404641550 0    641351 0      C-13-H3C(O)CH3
  424656.8617  0.0042 -4.3580 3   86.0386312  59516140419 910 1    18 811 1      C-13-H3C(O)CH3
  424689.3266  0.0348 -6.1170 3  639.3328372  5951614044638 9 4    4539 7 4      C-13-H3C(O)CH3
  424709.5214  0.0146 -6.2091 3   67.0349132  5951614041613 3 4    1510 6 4      C-13-H3C(O)CH3
  424722.0668  0.0324 -5.3573 3  887.4074A32  595161404641450 1    641351 1      C-13-H3C(O)CH3
  424722.0668  0.0324 -5.0741 3  887.4074A32  595161404641450 1    641451 1      C-13-H3C(O)CH3
  424722.0668  0.0324 -5.3573 3  887.4074A32  595161404641550 1    641451 1      C-13-H3C(O)CH3
  424722.0668  0.0324 -5.0741 3  887.4074A32  595161404641550 1    641351 1      C-13-H3C(O)CH3
  424722.7739  0.0322 -4.9043 3  887.4072A32  595161404641450 2    641351 2      C-13-H3C(O)CH3
  424722.7739  0.0322 -6.4465 3  887.4072A32  595161404641550 2    641351 2      C-13-H3C(O)CH3
  424722.7739  0.0322 -6.4465 3  887.4072A32  595161404641450 2    641451 2      C-13-H3C(O)CH3
  424722.7739  0.0322 -4.9043 3  887.4072A32  595161404641550 2    641451 2      C-13-H3C(O)CH3
  424753.3934  0.0406 -6.5950 3  457.6728324  595161404402911 3    402615 3      C-13-H3C(O)CH3
  424776.4884  0.0221 -6.5118 3  339.4273276  5951614043427 8 3    342410 3      C-13-H3C(O)CH3
  424820.9015  0.2242 -6.6570 3 1903.2159E00  595161404873552 2    873453 2      C-13-H3C(O)CH3
  424820.9015  0.2242 -6.6338 3 1903.2159E00  595161404873652 2    873553 2      C-13-H3C(O)CH3
  424827.6353  0.2506 -6.6343 3 1903.2124E00  595161404873652 1    873453 1      C-13-H3C(O)CH3
  424827.6353  0.2506 -6.6351 3 1903.2124E00  595161404873552 1    873553 1      C-13-H3C(O)CH3
  424830.8858  0.0312 -5.2704 3  887.3901516  595161404641550 3    641451 3      C-13-H3C(O)CH3
  424830.8858  0.0312 -5.9786 3  887.3901516  595161404641450 3    641451 3      C-13-H3C(O)CH3
  424830.8858  0.0312 -5.2704 3  887.3901516  595161404641450 3    641351 3      C-13-H3C(O)CH3
  424830.8858  0.0312 -5.9786 3  887.3901516  595161404641550 3    641351 3      C-13-H3C(O)CH3
  424831.0352  0.0312 -5.2254 3  887.3901516  595161404641550 4    641351 4      C-13-H3C(O)CH3
  424831.0352  0.0312 -6.3330 3  887.3901516  595161404641550 4    641451 4      C-13-H3C(O)CH3
  424831.0352  0.0312 -5.2254 3  887.3901516  595161404641450 4    641451 4      C-13-H3C(O)CH3
  424831.0352  0.0312 -6.3330 3  887.3901516  595161404641450 4    641351 4      C-13-H3C(O)CH3
  424853.4220  0.0294 -5.9248 3  503.0112680  595161404423012 0    422715 0      C-13-H3C(O)CH3
  424853.9508  0.0044 -4.3572 3   86.0091312  59516140419 910 0    18 811 0      C-13-H3C(O)CH3
  424859.7978  0.0384 -6.3187 3  502.9985680  595161404423013 2    422715 2      C-13-H3C(O)CH3
  424868.5372  0.2542 -6.6630 3 1903.2113E00  595161404873552 0    873553 0      C-13-H3C(O)CH3
  424868.5372  0.2542 -6.6630 3 1903.2113E00  595161404873652 0    873453 0      C-13-H3C(O)CH3
  424940.0374  0.0022 -4.0072 3  233.5573244  595161404301615 4    291514 4      C-13-H3C(O)CH3
  424942.5711  0.0024 -4.0072 3  233.5572244  595161404301615 3    291514 3      C-13-H3C(O)CH3
  424955.3577  0.0089 -6.1388 3   72.7706140  5951614041712 6 4    16 9 8 4      C-13-H3C(O)CH3
  424960.4759  0.0171 -4.7232 3  356.4385584  595161404362313 2    352412 2      C-13-H3C(O)CH3
  424989.8022  0.0242 -6.4533 3  396.2186600  595161404372810 1    372512 1      C-13-H3C(O)CH3
  424993.5207  0.0056 -4.6591 3   86.0660156  595161404191010 4    18 711 4      C-13-H3C(O)CH3
  424994.4658  0.0040 -4.6591 3   86.0660156  595161404191010 3    18 711 3      C-13-H3C(O)CH3
  424996.6544  0.0025 -3.7062 3  233.5757488 -595161404301615 1    291514 1      C-13-H3C(O)CH3
  425019.7269  0.0245 -6.5517 3  339.4152276  5951614043427 8 4    342411 4      C-13-H3C(O)CH3
  425029.3884  0.0205 -6.3054 3  339.4411552  5951614043427 8 1    342410 1      C-13-H3C(O)CH3
  425040.1173  0.0025 -3.7065 3  233.5695488 -595161404301615 2    291514 2      C-13-H3C(O)CH3
  425043.3689  0.0184 -5.2034 3  508.5458680  595161404423112 0    4132 9 0      C-13-H3C(O)CH3
  425044.8354  0.0184 -5.2034 3  508.5458680  595161404423111 0    413210 0      C-13-H3C(O)CH3
  425059.6842  0.0243 -6.5461 3  339.4239276  5951614043427 7 4    342410 4      C-13-H3C(O)CH3
  425080.8190  0.0125 -4.6632 3  356.4587584  595161404362313 0    352412 0      C-13-H3C(O)CH3
  425094.5176  0.0023 -3.7066 3  233.5879488 -595161404301615 0    291514 0      C-13-H3C(O)CH3
  425113.2595  0.0096 -3.9993 3  240.0248488 -595161404301713 2    291812 2      C-13-H3C(O)CH3
  425119.9432  0.0186 -5.2027 3  508.5346680  595161404423112 2    413210 2      C-13-H3C(O)CH3
  425122.8779  0.0484 -6.0830 3  724.2396840  595161404522825 0    512922 0      C-13-H3C(O)CH3
  425129.6872  0.0400 -6.3353 3  457.6877648  595161404402911 2    402615 2      C-13-H3C(O)CH3
  425135.9417  0.0227 -6.3629 3  848.9375A16  595161404631350 0    631251 0      C-13-H3C(O)CH3
  425135.9417  0.0227 -6.3629 3  848.9375A16  595161404631450 0    631351 0      C-13-H3C(O)CH3
  425135.9417  0.0227 -4.8546 3  848.9375A16  595161404631350 0    631351 0      C-13-H3C(O)CH3
  425135.9417  0.0227 -4.8546 3  848.9375A16  595161404631450 0    631251 0      C-13-H3C(O)CH3
  425137.0123  0.0361 -5.4996 3  400.5783308  595161404382514 4    372611 4      C-13-H3C(O)CH3
  425146.4315  0.0026 -4.3034 3  304.8856340  59516140442 240 3    41 339 3      C-13-H3C(O)CH3
  425146.4315  0.0026 -3.6831 3  304.8856340  59516140442 340 3    41 339 3      C-13-H3C(O)CH3
  425146.4460  0.0025 -3.9298 3  304.8856340  59516140442 340 4    41 239 4      C-13-H3C(O)CH3
  425146.4460  0.0025 -3.8550 3  304.8856340  59516140442 240 4    41 239 4      C-13-H3C(O)CH3
  425146.4624  0.0025 -3.9298 3  304.8856340 -59516140442 240 4    41 339 4      C-13-H3C(O)CH3
  425146.4624  0.0026 -3.6831 3  304.8856340 -59516140442 240 3    41 239 3      C-13-H3C(O)CH3
  425146.4624  0.0025 -3.8550 3  304.8856340 -59516140442 340 4    41 339 4      C-13-H3C(O)CH3
  425146.4624  0.0026 -4.3034 3  304.8856340 -59516140442 340 3    41 239 3      C-13-H3C(O)CH3
  425148.6850  0.0197 -5.0237 3  356.4132292  595161404362313 4    352412 4      C-13-H3C(O)CH3
  425149.9446  0.0161 -6.6497 3  254.2274488  5951614043022 8 0    301713 0      C-13-H3C(O)CH3
  425150.4616  0.0225 -5.0206 3  356.4133292  595161404362313 3    352412 3      C-13-H3C(O)CH3
  425155.9851  0.0712 -6.1046 3 1426.2303620  595161404772751 3    772652 3      C-13-H3C(O)CH3
  425155.9851  0.0712 -6.1046 3 1426.2303620  595161404772651 3    772552 3      C-13-H3C(O)CH3
  425156.0069  0.0712 -6.0637 3 1426.2303620  595161404772751 4    772552 4      C-13-H3C(O)CH3
  425156.0069  0.0712 -6.0886 3 1426.2303620  595161404772651 4    772652 4      C-13-H3C(O)CH3
  425162.9472  0.0737 -6.1311 3 1426.2081C40  595161404772651 1    772652 1      C-13-H3C(O)CH3
  425162.9472  0.0737 -6.0032 3 1426.2081C40  595161404772651 1    772552 1      C-13-H3C(O)CH3
  425162.9472  0.0737 -6.0032 3 1426.2081C40  595161404772751 1    772652 1      C-13-H3C(O)CH3
  425162.9472  0.0737 -6.1311 3 1426.2081C40  595161404772751 1    772552 1      C-13-H3C(O)CH3
  425168.4697  0.0777 -6.1297 3 1426.2101C40  595161404772651 2    772552 2      C-13-H3C(O)CH3
  425168.4697  0.0777 -6.1297 3 1426.2101C40  595161404772751 2    772652 2      C-13-H3C(O)CH3
  425168.4697  0.0777 -6.0043 3 1426.2101C40  595161404772651 2    772652 2      C-13-H3C(O)CH3
  425168.4697  0.0777 -6.0043 3 1426.2101C40  595161404772751 2    772552 2      C-13-H3C(O)CH3
  425173.5862  0.0244 -5.8039 3  455.3306664  595161404412318 2    412021 2      C-13-H3C(O)CH3
  425175.4507  0.0030 -3.9297 3  304.8558680  59516140442 340 1    41 339 1      C-13-H3C(O)CH3
  425175.4507  0.0030 -3.9297 3  304.8558680  59516140442 240 1    41 239 1      C-13-H3C(O)CH3
  425175.4667  0.0760 -6.2554 3 1426.1879C40  595161404772651 0    772552 0      C-13-H3C(O)CH3
  425175.4667  0.0760 -6.4361 3 1426.1879C40  595161404772651 0    772652 0      C-13-H3C(O)CH3
  425175.4667  0.0760 -5.9292 3 1426.1879C40  595161404772751 0    772552 0      C-13-H3C(O)CH3
  425175.4667  0.0760 -5.8645 3 1426.1879C40  595161404772751 0    772652 0      C-13-H3C(O)CH3
  425175.4751  0.0030 -4.1430 3  304.8554680 -59516140442 340 2    41 239 2      C-13-H3C(O)CH3
  425175.4751  0.0030 -3.4014 3  304.8558680 -59516140442 340 1    41 239 1      C-13-H3C(O)CH3
  425175.4751  0.0030 -3.4014 3  304.8558680 -59516140442 240 1    41 339 1      C-13-H3C(O)CH3
  425175.4751  0.0030 -4.1430 3  304.8554680 -59516140442 240 2    41 339 2      C-13-H3C(O)CH3
  425175.5259  0.0030 -3.3541 3  304.8554680  59516140442 340 2    41 339 2      C-13-H3C(O)CH3
  425175.5259  0.0030 -3.3541 3  304.8554680  59516140442 240 2    41 239 2      C-13-H3C(O)CH3
  425184.6706  0.0198 -5.2037 3  508.5442680  595161404423111 1    4132 9 1      C-13-H3C(O)CH3
  425204.4484  0.0024 -5.4531 3  304.8256680 -59516140442 240 0    41 339 0      C-13-H3C(O)CH3
  425204.4484  0.0024 -3.2915 3  304.8256680 -59516140442 340 0    41 339 0      C-13-H3C(O)CH3
  425204.4726  0.0024 -3.2915 3  304.8256680  59516140442 240 0    41 239 0      C-13-H3C(O)CH3
  425204.4726  0.0024 -5.4531 3  304.8256680  59516140442 340 0    41 239 0      C-13-H3C(O)CH3
  425212.4022  0.0042 -4.3573 3   86.0364312  595161404191010 2    18 711 2      C-13-H3C(O)CH3
  425212.9546  0.0291 -5.1254 3  400.5974616  595161404382514 2    372611 2      C-13-H3C(O)CH3
  425216.3868  0.0264 -6.1044 3  455.3070332  595161404412318 3    412021 3      C-13-H3C(O)CH3
  425221.6254  0.0261 -6.1044 3  455.3070332  595161404412318 4    412021 4      C-13-H3C(O)CH3
  425238.2866  0.0186 -5.2032 3  508.5165680  595161404423112 1    413210 1      C-13-H3C(O)CH3
  425238.5932  0.0278 -4.9465 3  848.9160A16  595161404631450 1    631251 1      C-13-H3C(O)CH3
  425238.5932  0.0278 -5.5073 3  848.9160A16  595161404631450 1    631351 1      C-13-H3C(O)CH3
  425238.5932  0.0278 -5.5073 3  848.9160A16  595161404631350 1    631251 1      C-13-H3C(O)CH3
  425238.5932  0.0278 -4.9465 3  848.9160A16  595161404631350 1    631351 1      C-13-H3C(O)CH3
  425238.9030  0.0274 -4.8534 3  848.9158A16  595161404631350 2    631351 2      C-13-H3C(O)CH3
  425238.9030  0.0274 -6.3917 3  848.9158A16  595161404631450 2    631351 2      C-13-H3C(O)CH3
  425238.9030  0.0274 -4.8534 3  848.9158A16  595161404631450 2    631251 2      C-13-H3C(O)CH3
  425238.9030  0.0274 -6.3917 3  848.9158A16  595161404631350 2    631251 2      C-13-H3C(O)CH3
  425244.7366  0.0084 -3.9990 3  240.0427488 -595161404301713 0    291812 0      C-13-H3C(O)CH3
  425244.8458  0.0040 -4.3574 3   86.0381312  595161404191010 1    18 711 1      C-13-H3C(O)CH3
  425257.0146  0.0205 -6.2212 3  339.4542552  5951614043427 7 2    342410 2      C-13-H3C(O)CH3
  425258.2435  0.0211 -5.5041 3  508.5329340  595161404423112 3    4132 9 3      C-13-H3C(O)CH3
  425261.4595  0.0132 -4.2980 3  240.0107244  595161404301713 3    291812 3      C-13-H3C(O)CH3
  425268.1652  0.0136 -4.6627 3  356.4337584  595161404362313 1    352412 1      C-13-H3C(O)CH3
  425269.6649  0.0275 -6.4716 3  396.2050300  5951614043728 9 3    372512 3      C-13-H3C(O)CH3
  425280.7498  0.0108 -4.2979 3  240.0105244  595161404301713 4    291812 4      C-13-H3C(O)CH3
  425284.9576  0.0026 -3.8019 3  270.1623276 -595161404341123 4    331222 4      C-13-H3C(O)CH3
  425284.9576  0.0026 -3.8019 3  270.1623276 -595161404341123 3    331222 3      C-13-H3C(O)CH3
  425284.9576  0.0026 -3.8019 3  270.1623276 -595161404341223 4    331122 4      C-13-H3C(O)CH3
  425284.9576  0.0026 -3.8019 3  270.1623276 -595161404341223 3    331122 3      C-13-H3C(O)CH3
  425303.1168  0.0225 -6.5131 3  339.4119276  5951614043427 7 3    342411 3      C-13-H3C(O)CH3
  425313.4366  0.0200 -5.5035 3  508.5050340  595161404423112 4    413210 4      C-13-H3C(O)CH3
  425319.9416  0.0155 -5.8040 3  455.3575664  595161404412318 0    412021 0      C-13-H3C(O)CH3
  425327.6080  0.0028 -3.5009 3  270.1817552 -595161404341123 1    331222 1      C-13-H3C(O)CH3
  425327.6080  0.0028 -3.5009 3  270.1817552 -595161404341223 1    331122 1      C-13-H3C(O)CH3
  425330.7483  0.0028 -3.5009 3  270.1801552 -595161404341123 2    331222 2      C-13-H3C(O)CH3
  425330.7483  0.0028 -3.5009 3  270.1801552 -595161404341223 2    331122 2      C-13-H3C(O)CH3
  425336.8148  0.0197 -5.2031 3  508.5565680  595161404423111 2    4132 9 2      C-13-H3C(O)CH3
  425341.6747  0.0289 -5.9902 3  848.8943508  595161404631450 3    631351 3      C-13-H3C(O)CH3
  425341.6747  0.0289 -5.2081 3  848.8943508  595161404631350 3    631351 3      C-13-H3C(O)CH3
  425341.6747  0.0289 -5.2081 3  848.8943508  595161404631450 3    631251 3      C-13-H3C(O)CH3
  425341.6747  0.0289 -5.9902 3  848.8943508  595161404631350 3    631251 3      C-13-H3C(O)CH3
  425341.7820  0.0289 -5.6296 3  848.8943508  595161404631450 4    631251 4      C-13-H3C(O)CH3
  425341.7820  0.0289 -5.3126 3  848.8943508  595161404631350 4    631251 4      C-13-H3C(O)CH3
  425341.7820  0.0289 -5.3126 3  848.8943508  595161404631450 4    631351 4      C-13-H3C(O)CH3
  425341.7820  0.0289 -5.6296 3  848.8943508  595161404631350 4    631351 4      C-13-H3C(O)CH3
  425342.9976  0.0339 -6.1751 3  502.9980680  595161404423012 1    422715 1      C-13-H3C(O)CH3
  425363.7610  0.0169 -5.8036 3  455.3340664  595161404412318 1    412021 1      C-13-H3C(O)CH3
  425373.2177  0.0024 -3.5009 3  270.1995552 -595161404341123 0    331222 0      C-13-H3C(O)CH3
  425373.2177  0.0024 -3.5009 3  270.1995552 -595161404341223 0    331122 0      C-13-H3C(O)CH3
  425396.8484  0.0102 -3.9966 3  240.0286488 -595161404301713 1    291812 1      C-13-H3C(O)CH3
  425403.6491  0.0445 -6.0809 3  724.2259840  595161404522825 1    512922 1      C-13-H3C(O)CH3
  425404.0663  0.0230 -6.2412 3  396.2186600  5951614043728 9 1    372512 1      C-13-H3C(O)CH3
  425408.5590  0.0207 -6.3031 3  339.4345552  5951614043427 7 1    342411 1      C-13-H3C(O)CH3
  425416.0702  0.0216 -6.0349 3  396.2395600  5951614043728 9 0    372512 0      C-13-H3C(O)CH3
  425421.6276  0.0471 -6.5932 3  502.9830340  595161404423013 3    422715 3      C-13-H3C(O)CH3
  425462.8616  0.0042 -4.3566 3   86.0086312  595161404191010 0    18 711 0      C-13-H3C(O)CH3
  425475.7324  0.0235 -5.5044 3  508.5549340  595161404423111 4    4132 9 4      C-13-H3C(O)CH3
  425479.9080  0.0200 -6.1985 3  339.4689552  5951614043427 7 0    342410 0      C-13-H3C(O)CH3
  425500.4089  0.0203 -6.2246 3  339.4422552  5951614043427 8 2    342411 2      C-13-H3C(O)CH3
  425506.6582  0.0249 -5.8380 3  145.3508188  5951614042317 6 4    2216 7 4      C-13-H3C(O)CH3
  425514.2315  0.0784 -6.0795 3  724.2211840  595161404522825 2    512922 2      C-13-H3C(O)CH3
  425516.1975  0.0476 -6.6904 3  457.6685324  595161404402911 4    402615 4      C-13-H3C(O)CH3
  425516.3087  0.0290 -5.3312 3  400.5689308  595161404382514 3    372611 3      C-13-H3C(O)CH3
  425527.8241  0.0074 -6.4097 3  229.5138244  595161404301416 3    301119 3      C-13-H3C(O)CH3
  425527.8732  0.0084 -6.4097 3  229.5138244  595161404301416 4    301119 4      C-13-H3C(O)CH3
  425528.7614  0.0202 -5.5039 3  508.5271340  595161404423111 3    413210 3      C-13-H3C(O)CH3
  425535.7118  0.0256 -6.4026 3  396.2100300  5951614043728 9 4    372512 4      C-13-H3C(O)CH3
  425556.2052  0.0036 -6.4455 3  154.2314196  5951614042416 8 3    2315 8 3      C-13-H3C(O)CH3
  425560.3587  0.0084 -6.4096 3  229.5138244  595161404301516 4    301219 4      C-13-H3C(O)CH3
  425560.4189  0.0074 -6.4096 3  229.5138244  595161404301516 3    301219 3      C-13-H3C(O)CH3
  425609.5003  0.0240 -6.1301 3  396.2291600  5951614043728 9 2    372512 2      C-13-H3C(O)CH3
  425623.9233  0.0073 -6.1079 3  229.5262488  595161404301416 2    301119 2      C-13-H3C(O)CH3
  425642.5463  0.0200 -6.1982 3  339.4635552  5951614043427 8 0    342411 0      C-13-H3C(O)CH3
  425643.8670  0.0220 -5.1804 3  378.1911600  595161404372413 2    362511 2      C-13-H3C(O)CH3
  425644.8924  0.0190 -5.1234 3  811.0326A00  595161404621350 0    621151 0      C-13-H3C(O)CH3
  425644.8924  0.0190 -5.1234 3  811.0326A00  595161404621250 0    621251 0      C-13-H3C(O)CH3
  425644.8924  0.0190 -5.0685 3  811.0326A00  595161404621350 0    621251 0      C-13-H3C(O)CH3
  425644.8924  0.0190 -5.0685 3  811.0326A00  595161404621250 0    621151 0      C-13-H3C(O)CH3
  425655.7184  0.0031 -5.0438 3  154.2349196  5951614042416 8 4    2315 8 4      C-13-H3C(O)CH3
  425657.0637  0.0073 -6.1079 3  229.5262488  595161404301516 2    301219 2      C-13-H3C(O)CH3
  425673.2622  0.7670 -6.2819 3 1006.6468968  595161404603921 2    603624 2      C-13-H3C(O)CH3
  425675.6683  0.0117 -4.7814 3  400.5998616  595161404382514 0    372611 0      C-13-H3C(O)CH3
  425677.7110  0.0073 -6.1073 3  229.5283488  595161404301416 1    301119 1      C-13-H3C(O)CH3
  425681.2014  0.0503 -6.4703 3  502.9830340  595161404423012 3    422715 3      C-13-H3C(O)CH3
  425692.3756  0.0177 -4.9668 3  400.5793616  595161404382514 1    372611 1      C-13-H3C(O)CH3
  425709.6333  0.0073 -6.1073 3  229.5283488  595161404301516 1    301219 1      C-13-H3C(O)CH3
  425722.3042  0.5056 -6.2783 3 1006.6441968  595161404603921 1    603624 1      C-13-H3C(O)CH3
  425736.2044  0.0243 -4.8088 3  811.0073A00  595161404621350 1    621251 1      C-13-H3C(O)CH3
  425736.2044  0.0243 -6.2633 3  811.0073A00  595161404621250 1    621251 1      C-13-H3C(O)CH3
  425736.2044  0.0243 -4.8088 3  811.0073A00  595161404621250 1    621151 1      C-13-H3C(O)CH3
  425736.2044  0.0243 -6.2633 3  811.0073A00  595161404621350 1    621151 1      C-13-H3C(O)CH3
  425736.2368  0.0238 -4.7940 3  811.0070A00  595161404621250 2    621251 2      C-13-H3C(O)CH3
  425736.2368  0.0238 -4.7940 3  811.0070A00  595161404621350 2    621151 2      C-13-H3C(O)CH3
  425745.6554  0.0262 -5.4226 3  378.1684300  595161404372413 4    362511 4      C-13-H3C(O)CH3
  425749.7255  0.0034 -5.1647 3  154.2325392  5951614042416 8 1    2315 8 1      C-13-H3C(O)CH3
  425773.5624  0.0276 -6.2883 3  699.5226412  595161404512724 3    503021 3      C-13-H3C(O)CH3
  425773.6676  0.0068 -6.1062 3  229.5407488  595161404301416 0    301119 0      C-13-H3C(O)CH3
  425781.5534  0.0168 -4.6065 3  335.3818568  595161404352213 2    342312 2      C-13-H3C(O)CH3
  425790.0781  0.0275 -6.2882 3  699.5221412  595161404512724 4    503021 4      C-13-H3C(O)CH3
  425795.4523  0.0772 -6.3785 3  724.2074420  595161404522825 4    512922 4      C-13-H3C(O)CH3
  425800.6133  0.0766 -6.3784 3  724.2073420  595161404522825 3    512922 3      C-13-H3C(O)CH3
  425806.1476  0.0068 -6.1061 3  229.5407488  595161404301516 0    301219 0      C-13-H3C(O)CH3
  425815.3747  0.0348 -5.9888 3  699.5296824  595161404512724 1    503021 1      C-13-H3C(O)CH3
  425822.4225  0.0033 -5.4770 3  154.2263392  5951614042416 8 2    2315 8 2      C-13-H3C(O)CH3
  425827.6555  0.0266 -6.5282 3  810.9816500  595161404621350 3    621251 3      C-13-H3C(O)CH3
  425827.6555  0.0266 -5.1108 3  810.9816500  595161404621350 3    621151 3      C-13-H3C(O)CH3
  425827.6555  0.0266 -6.5282 3  810.9816500  595161404621250 3    621151 3      C-13-H3C(O)CH3
  425827.6555  0.0266 -5.1108 3  810.9816500  595161404621250 3    621251 3      C-13-H3C(O)CH3
  425827.7042  0.0266 -6.1327 3  810.9816500  595161404621350 4    621251 4      C-13-H3C(O)CH3
  425827.7042  0.0266 -6.1327 3  810.9816500  595161404621250 4    621151 4      C-13-H3C(O)CH3
  425827.7042  0.0266 -5.1362 3  810.9816500  595161404621350 4    621151 4      C-13-H3C(O)CH3
  425827.7042  0.0266 -5.1362 3  810.9816500  595161404621250 4    621251 4      C-13-H3C(O)CH3
  425829.8757  0.0301 -5.9877 3  699.5274824  595161404512724 2    503021 2      C-13-H3C(O)CH3
  425853.8808  0.0239 -5.5812 3  378.1640300  595161404372413 3    362511 3      C-13-H3C(O)CH3
  425861.1065  0.0336 -5.9893 3  699.5347824  595161404512724 0    503021 0      C-13-H3C(O)CH3
  425887.2232  0.0444 -6.1508 3  502.9985680  595161404423012 2    422715 2      C-13-H3C(O)CH3
  425927.4747  0.0172 -5.0426 3  400.5736616  595161404382514 2    372612 2      C-13-H3C(O)CH3
  425927.6131  0.0061 -6.1508 3   72.7394280  5951614041712 6 1    16 9 8 1      C-13-H3C(O)CH3
  425950.5595  0.0213 -5.4418 3  400.5545308  595161404382514 3    372612 3      C-13-H3C(O)CH3
  425958.0112  0.2013 -6.6567 3 1851.5339D84  595161404863552 2    863353 2      C-13-H3C(O)CH3
  425958.0112  0.2013 -6.6567 3 1851.5339D84  595161404863452 2    863453 2      C-13-H3C(O)CH3
  425962.9598  0.2234 -6.5353 3 1851.5303D84  595161404863552 1    863453 1      C-13-H3C(O)CH3
  425962.9598  0.2234 -6.5353 3 1851.5303D84  595161404863452 1    863353 1      C-13-H3C(O)CH3
  425980.1314  0.0713 -5.7719 3 1380.2022C24  595161404762551 1    762552 1      C-13-H3C(O)CH3
  425980.1314  0.0713 -6.3992 3 1380.2022C24  595161404762551 1    762452 1      C-13-H3C(O)CH3
  425980.1314  0.0713 -6.5281 3 1380.2022C24  595161404762651 1    762452 1      C-13-H3C(O)CH3
  425980.1314  0.0713 -5.7464 3 1380.2022C24  595161404762651 1    762552 1      C-13-H3C(O)CH3
  425982.4237  0.0709 -5.9127 3 1380.1820C24  595161404762551 0    762452 0      C-13-H3C(O)CH3
  425982.4237  0.0709 -5.9127 3 1380.1820C24  595161404762651 0    762552 0      C-13-H3C(O)CH3
  425982.4237  0.0709 -6.0619 3 1380.1820C24  595161404762551 0    762552 0      C-13-H3C(O)CH3
  425982.4237  0.0709 -6.0619 3 1380.1820C24  595161404762651 0    762452 0      C-13-H3C(O)CH3
  425983.7360  0.0666 -5.9815 3 1380.2242612  595161404762551 3    762552 3      C-13-H3C(O)CH3
  425983.7360  0.0666 -5.9815 3 1380.2242612  595161404762651 3    762452 3      C-13-H3C(O)CH3
  425983.7788  0.0666 -6.2802 3 1380.2242612  595161404762651 4    762552 4      C-13-H3C(O)CH3
  425983.7788  0.0666 -6.2839 3 1380.2242612  595161404762651 4    762452 4      C-13-H3C(O)CH3
  425983.7788  0.0666 -6.2839 3 1380.2242612  595161404762551 4    762552 4      C-13-H3C(O)CH3
  425983.7788  0.0666 -6.2802 3 1380.2242612  595161404762551 4    762452 4      C-13-H3C(O)CH3
  425985.9817  0.0758 -5.7989 3 1380.2039C24  595161404762651 2    762552 2      C-13-H3C(O)CH3
  425985.9817  0.0758 -6.3003 3 1380.2039C24  595161404762651 2    762452 2      C-13-H3C(O)CH3
  425985.9817  0.0758 -6.3003 3 1380.2039C24  595161404762551 2    762552 2      C-13-H3C(O)CH3
  425985.9817  0.0758 -5.7989 3 1380.2039C24  595161404762551 2    762452 2      C-13-H3C(O)CH3
  425993.3502  0.0202 -4.9008 3  335.3574284  595161404352213 4    342312 4      C-13-H3C(O)CH3
  425998.0597  0.0253 -5.6174 3  603.1638728  5951614044536 9 1    4437 7 1      C-13-H3C(O)CH3
  426001.3278  0.0134 -4.5959 3  335.4017568  595161404352213 0    342312 0      C-13-H3C(O)CH3
  426003.8382  0.0248 -5.6167 3  603.1473728  595161404453610 0    4437 7 0      C-13-H3C(O)CH3
  426003.8384  0.0248 -5.6167 3  603.1473728  5951614044536 9 0    4437 8 0      C-13-H3C(O)CH3
  426006.3399  0.0139 -5.2400 3  400.5688616  595161404382514 1    372612 1      C-13-H3C(O)CH3
  426046.4883  0.0224 -4.9135 3  335.3561284  595161404352213 3    342312 3      C-13-H3C(O)CH3
  426089.0990  0.0148 -5.7742 3  480.3007680  595161404422518 0    422221 0      C-13-H3C(O)CH3
  426100.5178  0.0228 -6.2416 3  396.1815600  595161404372810 1    372513 1      C-13-H3C(O)CH3
  426115.7394  0.0276 -6.4064 3  396.1599300  595161404372810 4    372513 4      C-13-H3C(O)CH3
  426129.1204  0.0141 -5.9197 3  378.1754600  595161404372413 1    362511 1      C-13-H3C(O)CH3
  426133.3363  0.0190 -5.2908 3  400.5451308  595161404382514 4    372612 4      C-13-H3C(O)CH3
  426135.5049  0.0061 -6.2592 3   72.7371280  5951614041712 6 2    16 9 8 2      C-13-H3C(O)CH3
  426143.0436  0.0161 -5.1430 3  773.7103984  595161404611250 0    611151 0      C-13-H3C(O)CH3
  426143.0436  0.0161 -4.9768 3  773.7103984  595161404611150 0    611151 0      C-13-H3C(O)CH3
  426143.0436  0.0161 -4.8075 3  773.7103984  595161404611150 0    611051 0      C-13-H3C(O)CH3
  426143.0436  0.0161 -5.6646 3  773.7103984  595161404611250 0    611051 0      C-13-H3C(O)CH3
  426164.9361  0.0168 -5.7740 3  480.2751680  595161404422518 2    422221 2      C-13-H3C(O)CH3
  426202.8838  0.0157 -5.7738 3  480.2786680  595161404422518 1    422221 1      C-13-H3C(O)CH3
  426212.2813  0.0027 -3.7711 3  277.8015284 -595161404351025 4    341124 4      C-13-H3C(O)CH3
  426212.2813  0.0026 -3.7710 3  277.8015284 -595161404351025 3    341124 3      C-13-H3C(O)CH3
  426212.2813  0.0027 -3.7712 3  277.8015284 -595161404351125 4    341024 4      C-13-H3C(O)CH3
  426212.2813  0.0026 -3.7711 3  277.8015284 -595161404351125 3    341024 3      C-13-H3C(O)CH3
  426215.1015  0.0269 -5.6168 3  603.1257728  595161404453610 1    4437 8 1      C-13-H3C(O)CH3
  426215.8369  0.0218 -6.0301 3  773.6817984  595161404611250 2    611051 2      C-13-H3C(O)CH3
  426215.8369  0.0218 -4.7742 3  773.6817984  595161404611250 2    611151 2      C-13-H3C(O)CH3
  426215.8369  0.0218 -4.7742 3  773.6817984  595161404611150 2    611051 2      C-13-H3C(O)CH3
  426215.8369  0.0218 -6.0301 3  773.6817984  595161404611150 2    611151 2      C-13-H3C(O)CH3
  426215.9561  0.0223 -6.1494 3  773.6819984  595161404611250 1    611051 1      C-13-H3C(O)CH3
  426215.9561  0.0223 -6.1494 3  773.6819984  595161404611150 1    611151 1      C-13-H3C(O)CH3
  426215.9561  0.0223 -4.7684 3  773.6819984  595161404611250 1    611151 1      C-13-H3C(O)CH3
  426215.9561  0.0223 -4.7684 3  773.6819984  595161404611150 1    611051 1      C-13-H3C(O)CH3
  426235.3844  0.0153 -4.5962 3  335.3769568  595161404352213 1    342312 1      C-13-H3C(O)CH3
  426254.0786  0.0029 -3.4702 3  277.8200568 -595161404351025 1    341124 1      C-13-H3C(O)CH3
  426254.0786  0.0029 -3.4702 3  277.8200568 -595161404351125 1    341024 1      C-13-H3C(O)CH3
  426256.3489  0.0029 -3.4701 3  277.8187568 -595161404351025 2    341124 2      C-13-H3C(O)CH3
  426256.3489  0.0029 -3.4700 3  277.8187568 -595161404351125 2    341024 2      C-13-H3C(O)CH3
  426262.1687  0.0438 -5.8439 3  670.2155792  595161404493218 0    492921 0      C-13-H3C(O)CH3
  426264.5836  0.0031 -3.8378 3  307.5715348  59516140443 142 3    42 141 3      C-13-H3C(O)CH3
  426264.5836  0.0031 -3.8378 3  307.5715348  59516140443 242 3    42 241 3      C-13-H3C(O)CH3
  426264.5992  0.0031 -3.5746 3  307.5715348  59516140443 142 4    42 241 4      C-13-H3C(O)CH3
  426264.5992  0.0031 -3.5746 3  307.5715348  59516140443 242 4    42 141 4      C-13-H3C(O)CH3
  426264.6143  0.0031 -3.9051 3  307.5715348 -59516140443 142 3    42 241 3      C-13-H3C(O)CH3
  426264.6143  0.0031 -3.9051 3  307.5715348 -59516140443 242 3    42 141 3      C-13-H3C(O)CH3
  426264.6143  0.0031 -5.4681 3  307.5715348 -59516140443 242 4    42 241 4      C-13-H3C(O)CH3
  426264.6143  0.0031 -5.4681 3  307.5715348 -59516140443 142 4    42 141 4      C-13-H3C(O)CH3
  426270.7239  0.0294 -5.9187 3  603.1757364  5951614044536 9 4    4437 7 4      C-13-H3C(O)CH3
  426275.2570  0.0245 -5.6170 3  603.1593728  5951614044536 9 2    4437 7 2      C-13-H3C(O)CH3
  426275.6988  0.0169 -6.0745 3  480.2529340  595161404422518 4    422221 4      C-13-H3C(O)CH3
  426282.0991  0.0123 -4.7199 3  378.1898600  595161404372413 0    362512 0      C-13-H3C(O)CH3
  426282.4367  0.0167 -6.0745 3  480.2530340  595161404422518 3    422221 3      C-13-H3C(O)CH3
  426283.7661  0.0036 -4.6418 3  307.5255696  59516140443 242 1    42 241 1      C-13-H3C(O)CH3
  426283.7661  0.0036 -4.6418 3  307.5255696  59516140443 142 1    42 141 1      C-13-H3C(O)CH3
  426283.8101  0.0034 -3.2977 3  307.5251696 -59516140443 242 2    42 141 2      C-13-H3C(O)CH3
  426283.8101  0.0036 -3.2867 3  307.5255696 -59516140443 142 1    42 241 1      C-13-H3C(O)CH3
  426283.8101  0.0034 -3.2977 3  307.5251696 -59516140443 142 2    42 241 2      C-13-H3C(O)CH3
  426283.8101  0.0036 -3.2867 3  307.5255696 -59516140443 242 1    42 141 1      C-13-H3C(O)CH3
  426283.8302  0.0034 -4.4464 3  307.5251696  59516140443 142 2    42 141 2      C-13-H3C(O)CH3
  426283.8302  0.0034 -4.4464 3  307.5251696  59516140443 242 2    42 241 2      C-13-H3C(O)CH3
  426288.8090  0.0243 -5.4312 3  773.6531492  595161404611150 4    611151 4      C-13-H3C(O)CH3
  426288.8090  0.0243 -5.2859 3  773.6531492  595161404611150 4    611051 4      C-13-H3C(O)CH3
  426288.8090  0.0243 -5.2859 3  773.6531492  595161404611250 4    611151 4      C-13-H3C(O)CH3
  426288.8090  0.0243 -5.4312 3  773.6531492  595161404611250 4    611051 4      C-13-H3C(O)CH3
  426288.8358  0.0244 -5.1075 3  773.6532492  595161404611250 3    611051 3      C-13-H3C(O)CH3
  426288.8358  0.0244 -5.9688 3  773.6532492  595161404611250 3    611151 3      C-13-H3C(O)CH3
  426288.8358  0.0244 -5.1075 3  773.6532492  595161404611150 3    611151 3      C-13-H3C(O)CH3
  426288.8358  0.0244 -5.9688 3  773.6532492  595161404611150 3    611051 3      C-13-H3C(O)CH3
  426297.9718  0.0025 -3.4701 3  277.8371568 -595161404351025 0    341124 0      C-13-H3C(O)CH3
  426297.9718  0.0025 -3.4701 3  277.8371568 -595161404351125 0    341024 0      C-13-H3C(O)CH3
  426302.9050  0.0029 -5.8398 3  307.4792696 -59516140443 142 0    42 241 0      C-13-H3C(O)CH3
  426302.9050  0.0029 -5.8398 3  307.4792696 -59516140443 242 0    42 141 0      C-13-H3C(O)CH3
  426302.9580  0.0029 -3.2690 3  307.4792696  59516140443 242 0    42 241 0      C-13-H3C(O)CH3
  426302.9580  0.0029 -3.2690 3  307.4792696  59516140443 142 0    42 141 0      C-13-H3C(O)CH3
  426318.3970  0.0286 -5.9177 3  603.1560364  5951614044536 9 3    4437 7 3      C-13-H3C(O)CH3
  426319.4933  0.0474 -6.4202 3  502.9873340  595161404423012 4    422715 4      C-13-H3C(O)CH3
  426324.3038  0.0204 -4.9043 3  378.1684600  595161404372413 2    362512 2      C-13-H3C(O)CH3
  426324.5745  0.0247 -5.6160 3  603.1394728  595161404453610 2    4437 8 2      C-13-H3C(O)CH3
  426379.3768  0.0930 -6.1784 3  630.8971388  595161404482820 3    482523 3      C-13-H3C(O)CH3
  426380.1186  0.0264 -6.4715 3  396.1650300  595161404372810 3    372513 3      C-13-H3C(O)CH3
  426390.1378  0.0937 -6.1784 3  630.8971388  595161404482820 4    482523 4      C-13-H3C(O)CH3
  426403.6219  0.0247 -5.1600 3  378.1457300  595161404372413 3    362512 3      C-13-H3C(O)CH3
  426427.9331  0.0717 -6.1362 3  626.9657388  595161404482721 3    473018 3      C-13-H3C(O)CH3
  426437.7957  0.0235 -6.1319 3  396.1846600  595161404372810 2    372513 2      C-13-H3C(O)CH3
  426456.0298  0.0130 -4.7479 3  378.1645600  595161404372413 1    362512 1      C-13-H3C(O)CH3
  426486.1459  0.0295 -5.9181 3  603.1377364  595161404453610 3    4437 8 3      C-13-H3C(O)CH3
  426488.2255  0.0213 -6.0331 3  396.2038600  595161404372810 0    372513 0      C-13-H3C(O)CH3
  426514.7819  0.0251 -6.4493 3  396.1815600  5951614043728 9 1    372513 1      C-13-H3C(O)CH3
  426534.0416  0.0294 -5.9171 3  603.1177364  595161404453610 4    4437 8 4      C-13-H3C(O)CH3
  426560.0061  0.0239 -5.2396 3  378.1412300  595161404372413 4    362512 4      C-13-H3C(O)CH3
  426622.7967  0.0379 -5.8662 3  670.2074792  595161404493218 1    492921 1      C-13-H3C(O)CH3
  426632.5618  0.0144 -4.7227 3  736.9710968  595161404601150 0    601051 0      C-13-H3C(O)CH3
  426632.5618  0.0144 -6.3502 3  736.9710968  595161404601050 0    601051 0      C-13-H3C(O)CH3
  426632.5618  0.0144 -4.7227 3  736.9710968  595161404601050 0    60 951 0      C-13-H3C(O)CH3
  426632.5618  0.0144 -6.3502 3  736.9710968  595161404601150 0    60 951 0      C-13-H3C(O)CH3
  426637.6318  0.0622 -6.1442 3  626.9588388  595161404482721 4    473018 4      C-13-H3C(O)CH3
  426666.4597  0.0925 -5.8785 3  630.9095776  595161404482820 2    482523 2      C-13-H3C(O)CH3
  426678.7565  0.0214 -5.1498 3  736.9404968  595161404601150 2    60 951 2      C-13-H3C(O)CH3
  426678.7565  0.0214 -4.9098 3  736.9404968  595161404601050 2    60 951 2      C-13-H3C(O)CH3
  426678.7565  0.0214 -4.9098 3  736.9404968  595161404601150 2    601051 2      C-13-H3C(O)CH3
  426678.7565  0.0214 -5.1498 3  736.9404968  595161404601050 2    601051 2      C-13-H3C(O)CH3
  426678.9055  0.0218 -5.1365 3  736.9407968  595161404601150 1    60 951 1      C-13-H3C(O)CH3
  426678.9055  0.0218 -4.9176 3  736.9407968  595161404601150 1    601051 1      C-13-H3C(O)CH3
  426678.9055  0.0218 -4.9176 3  736.9407968  595161404601050 1    60 951 1      C-13-H3C(O)CH3
  426678.9055  0.0218 -5.1365 3  736.9407968  595161404601050 1    601051 1      C-13-H3C(O)CH3
  426725.0398  0.0221 -5.0133 3  736.9100484  595161404601050 4    601051 4      C-13-H3C(O)CH3
  426725.0398  0.0221 -5.0133 3  736.9100484  595161404601150 4    60 951 4      C-13-H3C(O)CH3
  426725.1575  0.0221 -5.0141 3  736.9100484  595161404601050 3    601051 3      C-13-H3C(O)CH3
  426725.1575  0.0221 -5.0141 3  736.9100484  595161404601150 3    60 951 3      C-13-H3C(O)CH3
  426757.0665  0.0675 -5.9877 3 1334.7474C08  595161404752551 0    752452 0      C-13-H3C(O)CH3
  426757.0665  0.0675 -5.8293 3 1334.7474C08  595161404752551 0    752352 0      C-13-H3C(O)CH3
  426757.0665  0.0675 -5.9877 3 1334.7474C08  595161404752451 0    752352 0      C-13-H3C(O)CH3
  426757.0665  0.0675 -5.8293 3 1334.7474C08  595161404752451 0    752452 0      C-13-H3C(O)CH3
  426766.2150  0.0707 -6.1681 3 1334.7670C08  595161404752451 1    752352 1      C-13-H3C(O)CH3
  426766.2150  0.0707 -6.1681 3 1334.7670C08  595161404752551 1    752452 1      C-13-H3C(O)CH3
  426766.2150  0.0707 -5.7373 3 1334.7670C08  595161404752451 1    752452 1      C-13-H3C(O)CH3
  426766.2150  0.0707 -5.7373 3 1334.7670C08  595161404752551 1    752352 1      C-13-H3C(O)CH3
  426770.0682  0.0512 -5.8818 3  670.2045792  595161404493218 2    492921 2      C-13-H3C(O)CH3
  426772.1779  0.0750 -5.7324 3 1334.7684C08  595161404752451 2    752452 2      C-13-H3C(O)CH3
  426772.1779  0.0750 -6.1817 3 1334.7684C08  595161404752551 2    752452 2      C-13-H3C(O)CH3
  426772.1779  0.0750 -5.6100 3 1334.7684C08  595161404752551 2    752352 2      C-13-H3C(O)CH3
  426781.3846  0.0627 -6.2758 3 1334.7881604  595161404752551 3    752452 3      C-13-H3C(O)CH3
  426781.3846  0.0627 -6.2758 3 1334.7881604  595161404752451 3    752352 3      C-13-H3C(O)CH3
  426781.3846  0.0627 -6.1396 3 1334.7881604  595161404752551 3    752352 3      C-13-H3C(O)CH3
  426781.3846  0.0627 -6.1396 3 1334.7881604  595161404752451 3    752452 3      C-13-H3C(O)CH3
  426781.4495  0.0627 -5.9360 3 1334.7881604  595161404752451 4    752352 4      C-13-H3C(O)CH3
  426781.4495  0.0627 -5.9360 3 1334.7881604  595161404752551 4    752452 4      C-13-H3C(O)CH3
  426872.7164  0.0443 -6.2265 3  670.1963396  595161404493218 4    492921 4      C-13-H3C(O)CH3
  426901.3916  0.0470 -5.8786 3  630.9120776  595161404482820 1    482523 1      C-13-H3C(O)CH3
  426926.6106  0.0738 -5.8345 3  626.9650776  595161404482721 2    473018 2      C-13-H3C(O)CH3
  427052.9309  0.1791 -6.4517 3 1800.4112D68  595161404853352 2    853253 2      C-13-H3C(O)CH3
  427052.9309  0.1791 -6.4517 3 1800.4112D68  595161404853452 2    853353 2      C-13-H3C(O)CH3
  427056.0983  0.1969 -6.4464 3 1800.4076D68  595161404853352 1    853253 1      C-13-H3C(O)CH3
  427056.0983  0.1969 -6.4464 3 1800.4076D68  595161404853452 1    853353 1      C-13-H3C(O)CH3
  427100.9765  0.2019 -6.5300 3 1800.4010D68  595161404853452 0    853353 0      C-13-H3C(O)CH3
  427100.9765  0.2019 -6.5300 3 1800.4010D68  595161404853352 0    853253 0      C-13-H3C(O)CH3
  427115.6626  0.0138 -6.6660 3  700.8152952  595161404591050 0    59 951 0      C-13-H3C(O)CH3
  427115.6626  0.0138 -4.6842 3  700.8152952  59516140459 950 0    59 951 0      C-13-H3C(O)CH3
  427115.6626  0.0138 -4.6842 3  700.8152952  595161404591050 0    59 851 0      C-13-H3C(O)CH3
  427115.6626  0.0138 -6.6660 3  700.8152952  59516140459 950 0    59 851 0      C-13-H3C(O)CH3
  427126.0387  0.0217 -6.2889 3  700.7841952  595161404591050 2    59 851 2      C-13-H3C(O)CH3
  427126.0387  0.0217 -4.6904 3  700.7841952  595161404591050 2    59 951 2      C-13-H3C(O)CH3
  427126.0387  0.0217 -4.6904 3  700.7841952  59516140459 950 2    59 851 2      C-13-H3C(O)CH3
  427126.0387  0.0217 -6.2889 3  700.7841952  59516140459 950 2    59 951 2      C-13-H3C(O)CH3
  427126.1111  0.0219 -4.8091 3  700.7844952  59516140459 950 1    59 951 1      C-13-H3C(O)CH3
  427126.1111  0.0219 -5.2682 3  700.7844952  595161404591050 1    59 951 1      C-13-H3C(O)CH3
  427126.1111  0.0219 -4.8091 3  700.7844952  595161404591050 1    59 851 1      C-13-H3C(O)CH3
  427126.1111  0.0219 -5.2682 3  700.7844952  59516140459 950 1    59 851 1      C-13-H3C(O)CH3
  427136.2839  0.0199 -5.5895 3  700.7533476  59516140459 950 4    59 851 4      C-13-H3C(O)CH3
  427136.2839  0.0199 -5.1032 3  700.7533476  59516140459 950 4    59 951 4      C-13-H3C(O)CH3
  427136.2839  0.0199 -5.1032 3  700.7533476  595161404591050 4    59 851 4      C-13-H3C(O)CH3
  427136.2839  0.0199 -5.5895 3  700.7533476  595161404591050 4    59 951 4      C-13-H3C(O)CH3
  427136.5037  0.0199 -5.4802 3  700.7533476  595161404591050 3    59 951 3      C-13-H3C(O)CH3
  427136.5037  0.0199 -5.1458 3  700.7533476  595161404591050 3    59 851 3      C-13-H3C(O)CH3
  427136.5037  0.0199 -5.4802 3  700.7533476  59516140459 950 3    59 851 3      C-13-H3C(O)CH3
  427136.5037  0.0199 -5.1458 3  700.7533476  59516140459 950 3    59 951 3      C-13-H3C(O)CH3
  427141.6165  0.0466 -5.8322 3  626.9638776  595161404482721 1    473018 1      C-13-H3C(O)CH3
  427146.1954  0.0085 -6.5471 3   51.9498124  59516140415 9 6 3    14 6 9 3      C-13-H3C(O)CH3
  427170.7880  0.6525 -6.5560 3 1006.6280484  595161404603921 3    603624 3      C-13-H3C(O)CH3
  427180.3193  0.0358 -5.8085 3  636.4134776  595161404483019 0    482722 0      C-13-H3C(O)CH3
  427183.6062  0.0511 -5.8796 3  630.9244776  595161404482820 0    482523 0      C-13-H3C(O)CH3
  427191.6019  0.0123 -6.5478 3   51.9498124  59516140415 9 6 4    14 6 9 4      C-13-H3C(O)CH3
  427200.8350  0.0027 -3.7720 3  284.8778292 -59516140436 927 4    351026 4      C-13-H3C(O)CH3
  427200.8350  0.0027 -3.7720 3  284.8778292 -595161404361027 4    35 926 4      C-13-H3C(O)CH3
  427200.8350  0.0027 -4.3668 3  284.8778292 -59516140436 927 3    351026 3      C-13-H3C(O)CH3
  427200.8350  0.0027 -4.5950 3  284.8778292 -595161404361027 3    35 926 3      C-13-H3C(O)CH3
  427200.8489  0.0027 -4.9391 3  284.8778292  595161404361027 4    351026 4      C-13-H3C(O)CH3
  427200.8489  0.0027 -4.9391 3  284.8778292  59516140436 927 4    35 926 4      C-13-H3C(O)CH3
  427200.9289  0.0027 -3.8093 3  284.8778292  59516140436 927 3    35 926 3      C-13-H3C(O)CH3
  427200.9289  0.0027 -3.8615 3  284.8778292  595161404361027 3    351026 3      C-13-H3C(O)CH3
  427231.6638  0.0089 -6.2386 3   51.9033248  59516140415 9 6 2    14 6 9 2      C-13-H3C(O)CH3
  427242.3707  0.0030 -3.6116 3  284.8946584 -59516140436 927 1    35 926 1      C-13-H3C(O)CH3
  427242.3707  0.0030 -3.9335 3  284.8946584 -595161404361027 1    35 926 1      C-13-H3C(O)CH3
  427242.4100  0.0030 -3.9335 3  284.8946584  59516140436 927 1    351026 1      C-13-H3C(O)CH3
  427242.4100  0.0030 -3.6116 3  284.8946584  595161404361027 1    351026 1      C-13-H3C(O)CH3
  427243.9330  0.0030 -4.9513 3  284.8936584 -595161404361027 2    35 926 2      C-13-H3C(O)CH3
  427243.9330  0.0030 -3.4560 3  284.8936584 -59516140436 927 2    35 926 2      C-13-H3C(O)CH3
  427243.9839  0.0030 -3.4560 3  284.8936584  595161404361027 2    351026 2      C-13-H3C(O)CH3
  427243.9839  0.0030 -4.9513 3  284.8936584  59516140436 927 2    351026 2      C-13-H3C(O)CH3
  427248.3943  0.0119 -6.3479 3  281.2375520  595161404322111 0    321616 0      C-13-H3C(O)CH3
  427248.6571  0.0116 -6.3501 3  281.2181520  595161404322111 1    321616 1      C-13-H3C(O)CH3
  427285.3812  0.0025 -3.4610 3  284.9104584 -595161404361027 0    351026 0      C-13-H3C(O)CH3
  427285.3812  0.0025 -3.4610 3  284.9104584 -59516140436 927 0    35 926 0      C-13-H3C(O)CH3
  427285.3887  0.0025 -4.8189 3  284.9104584  595161404361027 0    35 926 0      C-13-H3C(O)CH3
  427285.3887  0.0025 -4.8189 3  284.9104584  59516140436 927 0    351026 0      C-13-H3C(O)CH3
  427312.9989  0.3853 -6.1936 3  942.0859936  595161404583820 0    583523 0      C-13-H3C(O)CH3
  427332.8516  0.0112 -6.6526 3  281.1938260  595161404322111 4    321616 4      C-13-H3C(O)CH3
  427338.0997  0.0218 -6.6258 3  272.5584488  5951614043026 4 1    3023 7 1      C-13-H3C(O)CH3
  427346.6771  0.0118 -6.3502 3  281.2131520  595161404322111 2    321616 2      C-13-H3C(O)CH3
  427353.2670  0.0117 -6.6537 3  281.1938260  595161404322111 3    321616 3      C-13-H3C(O)CH3
  427391.1735  0.0045 -3.9822 3  309.7220356 -59516140444 144 3    43 143 3      C-13-H3C(O)CH3
  427391.1735  0.0044 -3.5487 3  309.7220356 -59516140444 144 4    43 043 4      C-13-H3C(O)CH3
  427391.1735  0.0044 -3.5487 3  309.7220356 -59516140444 044 4    43 143 4      C-13-H3C(O)CH3
  427391.1735  0.0045 -3.7479 3  309.7220356 -59516140444 044 3    43 143 3      C-13-H3C(O)CH3
  427391.1923  0.0045 -3.9822 3  309.7220356  59516140444 044 3    43 043 3      C-13-H3C(O)CH3
  427391.1923  0.0045 -3.7479 3  309.7220356  59516140444 144 3    43 043 3      C-13-H3C(O)CH3
  427395.7456  0.0058 -3.3224 3  309.6552712  59516140444 044 1    43 043 1      C-13-H3C(O)CH3
  427395.7456  0.0058 -4.0460 3  309.6552712  59516140444 144 1    43 043 1      C-13-H3C(O)CH3
  427395.8784  0.0058 -3.3224 3  309.6552712 -59516140444 144 1    43 143 1      C-13-H3C(O)CH3
  427395.8784  0.0054 -4.6623 3  309.6549712 -59516140444 044 2    43 143 2      C-13-H3C(O)CH3
  427395.8784  0.0054 -5.3943 3  309.6549712 -59516140444 144 2    43 043 2      C-13-H3C(O)CH3
  427395.8784  0.0058 -4.0460 3  309.6552712 -59516140444 044 1    43 143 1      C-13-H3C(O)CH3
  427395.8976  0.0054 -3.2643 3  309.6549712  59516140444 044 2    43 043 2      C-13-H3C(O)CH3
  427395.8976  0.0054 -3.2504 3  309.6549712  59516140444 144 2    43 143 2      C-13-H3C(O)CH3
  427396.3730  0.0089 -6.2418 3   51.9045248  59516140415 9 6 1    14 6 9 1      C-13-H3C(O)CH3
  427400.4323  0.0046 -5.1675 3  309.5882712  59516140444 144 0    43 143 0      C-13-H3C(O)CH3
  427400.4323  0.0046 -3.2524 3  309.5882712  59516140444 044 0    43 143 0      C-13-H3C(O)CH3
  427400.5242  0.0046 -3.2524 3  309.5882712 -59516140444 144 0    43 043 0      C-13-H3C(O)CH3
  427400.5242  0.0046 -5.1675 3  309.5882712 -59516140444 044 0    43 043 0      C-13-H3C(O)CH3
  427422.0957  0.1609 -6.4193 3  684.4559404  595161404502921 3    493218 3      C-13-H3C(O)CH3
  427430.9299  0.0344 -5.8085 3  636.4018776  595161404483019 1    482722 1      C-13-H3C(O)CH3
  427452.0842  0.0433 -5.8259 3  665.2618792  595161404493119 0    492822 0      C-13-H3C(O)CH3
  427461.1350  0.0089 -6.2339 3   51.8582248  59516140415 9 6 0    14 6 9 0      C-13-H3C(O)CH3
  427484.5224  0.0616 -6.1501 3  670.1966396  595161404493218 3    492921 3      C-13-H3C(O)CH3
  427500.7531  0.0652 -5.9906 3 1289.8851B92  595161404742351 0    742252 0      C-13-H3C(O)CH3
  427500.7531  0.0652 -5.7034 3 1289.8851B92  595161404742351 0    742352 0      C-13-H3C(O)CH3
  427500.7531  0.0652 -5.9906 3 1289.8851B92  595161404742451 0    742352 0      C-13-H3C(O)CH3
  427500.7531  0.0652 -5.7034 3 1289.8851B92  595161404742451 0    742252 0      C-13-H3C(O)CH3
  427511.0601  0.0309 -5.8091 3  636.3988776  595161404483019 2    482722 2      C-13-H3C(O)CH3
  427522.3521  0.0707 -5.5622 3 1289.9035B92  595161404742351 1    742252 1      C-13-H3C(O)CH3
  427522.3521  0.0707 -6.5831 3 1289.9035B92  595161404742351 1    742352 1      C-13-H3C(O)CH3
  427522.3521  0.0707 -6.5831 3 1289.9035B92  595161404742451 1    742252 1      C-13-H3C(O)CH3
  427522.3521  0.0707 -5.5622 3 1289.9035B92  595161404742451 1    742352 1      C-13-H3C(O)CH3
  427522.3811  0.0180 -5.9144 3  665.1840468  59516140458 850 4    58 751 4      C-13-H3C(O)CH3
  427522.3811  0.0180 -5.0048 3  665.1840468  59516140458 850 4    58 851 4      C-13-H3C(O)CH3
  427522.3811  0.0180 -5.0048 3  665.1840468  59516140458 950 4    58 751 4      C-13-H3C(O)CH3
  427522.3811  0.0180 -5.9144 3  665.1840468  59516140458 950 4    58 851 4      C-13-H3C(O)CH3
  427522.7061  0.0180 -4.9775 3  665.1840468  59516140458 850 3    58 851 3      C-13-H3C(O)CH3
  427522.7061  0.0180 -6.2397 3  665.1840468  59516140458 850 3    58 751 3      C-13-H3C(O)CH3
  427522.7061  0.0180 -4.9775 3  665.1840468  59516140458 950 3    58 751 3      C-13-H3C(O)CH3
  427522.7061  0.0180 -6.2397 3  665.1840468  59516140458 950 3    58 851 3      C-13-H3C(O)CH3
  427528.2262  0.0746 -5.5305 3 1289.9046B92  595161404742351 2    742352 2      C-13-H3C(O)CH3
  427528.2262  0.0746 -5.5305 3 1289.9046B92  595161404742451 2    742252 2      C-13-H3C(O)CH3
  427533.0806  0.0544 -5.8274 3  626.9666776  595161404482721 0    473018 0      C-13-H3C(O)CH3
  427536.8074  0.0041 -3.5948 3  145.0855180 -5951614042220 2 4    2119 2 4      C-13-H3C(O)CH3
  427544.0681  0.7929 -6.6335 3 1006.6285484  595161404603921 4    603624 4      C-13-H3C(O)CH3
  427549.8950  0.0593 -5.9165 3 1289.9231596  595161404742351 3    742352 3      C-13-H3C(O)CH3
  427549.8950  0.0593 -6.5393 3 1289.9231596  595161404742451 3    742352 3      C-13-H3C(O)CH3
  427549.8950  0.0593 -5.9165 3 1289.9231596  595161404742451 3    742252 3      C-13-H3C(O)CH3
  427549.8950  0.0593 -6.5393 3 1289.9231596  595161404742351 3    742252 3      C-13-H3C(O)CH3
  427549.9829  0.0593 -5.8331 3 1289.9231596  595161404742451 4    742352 4      C-13-H3C(O)CH3
  427549.9829  0.0593 -5.8331 3 1289.9231596  595161404742351 4    742252 4      C-13-H3C(O)CH3
  427558.6306  0.0221 -4.6571 3  665.2138936  59516140458 950 1    58 751 1      C-13-H3C(O)CH3
  427558.6306  0.0221 -4.6571 3  665.2138936  59516140458 850 1    58 851 1      C-13-H3C(O)CH3
  427558.7142  0.0219 -4.9581 3  665.2135936  59516140458 850 2    58 851 2      C-13-H3C(O)CH3
  427558.7142  0.0219 -4.9581 3  665.2135936  59516140458 950 2    58 751 2      C-13-H3C(O)CH3
  427558.7142  0.0219 -4.9506 3  665.2135936  59516140458 950 2    58 851 2      C-13-H3C(O)CH3
  427558.7142  0.0219 -4.9506 3  665.2135936  59516140458 850 2    58 751 2      C-13-H3C(O)CH3
  427578.3707  0.0217 -6.6246 3  272.5556488  5951614043026 5 2    3023 8 2      C-13-H3C(O)CH3
  427579.0745  0.0207 -6.6292 3  272.5691488  5951614043026 4 2    3023 7 2      C-13-H3C(O)CH3
  427594.5987  0.0139 -4.9249 3  665.2432936  59516140458 850 0    58 851 0      C-13-H3C(O)CH3
  427594.5987  0.0139 -4.9249 3  665.2432936  59516140458 950 0    58 751 0      C-13-H3C(O)CH3
  427594.5987  0.0139 -4.9860 3  665.2432936  59516140458 950 0    58 851 0      C-13-H3C(O)CH3
  427594.5987  0.0139 -4.9860 3  665.2432936  59516140458 850 0    58 751 0      C-13-H3C(O)CH3
  427680.5691  0.0035 -3.5945 3  145.0228180 -5951614042220 3 3    2119 3 3      C-13-H3C(O)CH3
  427706.1352  0.0732 -6.6257 3  956.8529968  595161404603030 0    593327 0      C-13-H3C(O)CH3
  427720.0608  0.0225 -6.1108 3  636.3871388  595161404483019 4    482722 4      C-13-H3C(O)CH3
  427739.6298  0.0534 -6.4081 3  866.8349920  595161404572928 0    563225 0      C-13-H3C(O)CH3
  427741.3837  0.0037 -3.5943 3  145.0253180 -5951614042220 2 3    2119 2 3      C-13-H3C(O)CH3
  427772.0027  0.0397 -5.8268 3  665.2522792  595161404493119 1    492822 1      C-13-H3C(O)CH3
  427773.2058  0.0034 -3.2932 3  145.0832360 -5951614042220 2 1    2119 2 1      C-13-H3C(O)CH3
  427790.6016  0.0396 -6.1934 3  781.0411872  595161404542826 0    533123 0      C-13-H3C(O)CH3
  427798.5891  0.0745 -6.6240 3  956.8598968  595161404603030 1    593327 1      C-13-H3C(O)CH3
  427802.4556  0.0808 -6.6237 3  956.8609968  595161404603030 2    593327 2      C-13-H3C(O)CH3
  427804.9580  0.0255 -6.1094 3  636.3872388  595161404483019 3    482722 3      C-13-H3C(O)CH3
  427810.4808  0.0035 -3.2931 3  145.0981360 -5951614042220 2 2    2119 2 2      C-13-H3C(O)CH3
  427823.6852  0.0558 -6.4065 3  866.8373920  595161404572928 1    563225 1      C-13-H3C(O)CH3
  427833.5739  0.0424 -6.1922 3  781.0392872  595161404542826 1    533123 1      C-13-H3C(O)CH3
  427842.2335  0.0597 -6.4059 3  866.8371920  595161404572928 2    563225 2      C-13-H3C(O)CH3
  427849.6935  0.0218 -6.6231 3  272.5386488  5951614043026 5 1    3023 8 1      C-13-H3C(O)CH3
  427863.1459  0.0407 -6.1912 3  781.0377872  595161404542826 2    533123 2      C-13-H3C(O)CH3
  427882.4365  0.0404 -5.8280 3  665.2494792  595161404493119 2    492822 2      C-13-H3C(O)CH3
  427883.1342  0.0167 -4.9707 3  630.2033460  59516140457 750 4    57 751 4      C-13-H3C(O)CH3
  427883.1342  0.0167 -6.0548 3  630.2033460  59516140457 850 4    57 751 4      C-13-H3C(O)CH3
  427883.1342  0.0167 -6.0548 3  630.2033460  59516140457 750 4    57 651 4      C-13-H3C(O)CH3
  427883.1342  0.0167 -4.9707 3  630.2033460  59516140457 850 4    57 651 4      C-13-H3C(O)CH3
  427883.5541  0.0165 -5.2525 3  630.2033460  59516140457 750 3    57 651 3      C-13-H3C(O)CH3
  427883.5541  0.0165 -5.2226 3  630.2033460  59516140457 850 3    57 651 3      C-13-H3C(O)CH3
  427883.5541  0.0165 -5.2525 3  630.2033460  59516140457 850 3    57 751 3      C-13-H3C(O)CH3
  427883.5541  0.0165 -5.2226 3  630.2033460  59516140457 750 3    57 751 3      C-13-H3C(O)CH3
  427884.7828  0.0034 -3.5939 3  144.9628180 -5951614042220 3 4    2119 3 4      C-13-H3C(O)CH3
  427901.6923  0.0426 -6.4911 3  781.0359436  595161404542826 3    533123 3      C-13-H3C(O)CH3
  427907.2359  0.0429 -6.4910 3  781.0357436  595161404542826 4    533123 4      C-13-H3C(O)CH3
  427953.4885  0.0033 -3.2928 3  145.0354360 -5951614042220 3 2    2119 3 2      C-13-H3C(O)CH3
  427976.9998  0.0033 -3.2927 3  145.0231360 -5951614042220 3 1    2119 3 1      C-13-H3C(O)CH3
  427977.5198  0.0216 -4.7973 3  630.2295920  59516140457 750 1    57 751 1      C-13-H3C(O)CH3
  427977.5198  0.0216 -4.7973 3  630.2295920  59516140457 850 1    57 651 1      C-13-H3C(O)CH3
  427977.5198  0.0216 -5.1413 3  630.2295920  59516140457 750 1    57 651 1      C-13-H3C(O)CH3
  427977.5198  0.0216 -5.1413 3  630.2295920  59516140457 850 1    57 751 1      C-13-H3C(O)CH3
  427977.7983  0.0214 -4.6590 3  630.2292920  59516140457 850 2    57 751 2      C-13-H3C(O)CH3
  427977.7983  0.0214 -4.6590 3  630.2292920  59516140457 750 2    57 651 2      C-13-H3C(O)CH3
  427977.7983  0.0214 -5.9044 3  630.2292920  59516140457 850 2    57 651 2      C-13-H3C(O)CH3
  427977.7983  0.0214 -5.9044 3  630.2292920  59516140457 750 2    57 751 2      C-13-H3C(O)CH3
  428046.4215  0.0035 -3.2925 3  145.0958360 -5951614042220 3 0    2119 2 0      C-13-H3C(O)CH3
  428046.4215  0.0035 -3.2925 3  145.0958360 -5951614042220 2 0    2119 3 0      C-13-H3C(O)CH3
  428052.2358  0.1360 -6.4966 3  684.4352404  595161404502921 4    493218 4      C-13-H3C(O)CH3
  428061.5273  0.0222 -6.6271 3  272.5880488  5951614043026 4 0    3023 7 0      C-13-H3C(O)CH3
  428062.0435  0.1316 -6.6595 3 1749.8584676  595161404843352 3    843153 3      C-13-H3C(O)CH3
  428062.0435  0.1316 -6.6595 3 1749.8584676  595161404843252 3    843253 3      C-13-H3C(O)CH3
  428064.9297  0.0222 -6.6271 3  272.5878488  5951614043026 5 0    3023 8 0      C-13-H3C(O)CH3
  428071.6459  0.0143 -5.8675 3  630.2554920  59516140457 750 0    57 651 0      C-13-H3C(O)CH3
  428071.6459  0.0143 -4.6611 3  630.2554920  59516140457 850 0    57 651 0      C-13-H3C(O)CH3
  428071.6459  0.0143 -4.6611 3  630.2554920  59516140457 750 0    57 751 0      C-13-H3C(O)CH3
  428071.6459  0.0143 -5.8675 3  630.2554920  59516140457 850 0    57 751 0      C-13-H3C(O)CH3
  428107.2361  0.1579 -6.3569 3 1749.8490D52  595161404843252 2    843253 2      C-13-H3C(O)CH3
  428107.2361  0.1579 -6.3569 3 1749.8490D52  595161404843352 2    843153 2      C-13-H3C(O)CH3
  428108.6773  0.1716 -6.3501 3 1749.8454D52  595161404843352 1    843253 1      C-13-H3C(O)CH3
  428108.6773  0.1716 -6.3501 3 1749.8454D52  595161404843252 1    843153 1      C-13-H3C(O)CH3
  428124.2327  0.0274 -6.1323 3  665.2397396  595161404493119 4    492822 4      C-13-H3C(O)CH3
  428153.8284  0.1774 -6.3663 3 1749.8361D52  595161404843252 0    843253 0      C-13-H3C(O)CH3
  428153.8284  0.1774 -6.3663 3 1749.8361D52  595161404843352 0    843153 0      C-13-H3C(O)CH3
  428214.8710  0.0631 -5.4541 3 1245.5962B76  595161404732351 0    732152 0      C-13-H3C(O)CH3
  428214.8710  0.0631 -5.4475 3 1245.5962B76  595161404732251 0    732252 0      C-13-H3C(O)CH3
  428218.3201  0.0166 -4.9807 3  595.8123452  59516140456 750 4    56 651 4      C-13-H3C(O)CH3
  428218.3201  0.0166 -5.8724 3  595.8123452  59516140456 650 4    56 651 4      C-13-H3C(O)CH3
  428218.3201  0.0166 -5.8724 3  595.8123452  59516140456 750 4    56 551 4      C-13-H3C(O)CH3
  428218.3201  0.0166 -4.9807 3  595.8123452  59516140456 650 4    56 551 4      C-13-H3C(O)CH3
  428218.8046  0.0162 -4.9600 3  595.8123452  59516140456 750 3    56 551 3      C-13-H3C(O)CH3
  428218.8046  0.0162 -4.9600 3  595.8123452  59516140456 650 3    56 651 3      C-13-H3C(O)CH3
  428218.8046  0.0162 -6.0809 3  595.8123452  59516140456 750 3    56 651 3      C-13-H3C(O)CH3
  428218.8046  0.0162 -6.0809 3  595.8123452  59516140456 650 3    56 551 3      C-13-H3C(O)CH3
  428228.0259  0.0027 -3.7245 3  291.3984300  59516140437 929 4    36 928 4      C-13-H3C(O)CH3
  428228.0259  0.0027 -3.7245 3  291.3984300  59516140437 829 4    36 828 4      C-13-H3C(O)CH3
  428228.0338  0.0027 -5.5498 3  291.3984300 -59516140437 829 4    36 928 4      C-13-H3C(O)CH3
  428228.0338  0.0027 -4.0052 3  291.3984300 -59516140437 829 3    36 828 3      C-13-H3C(O)CH3
  428228.0338  0.0027 -5.5498 3  291.3984300 -59516140437 929 4    36 828 4      C-13-H3C(O)CH3
  428228.0338  0.0027 -4.0052 3  291.3984300 -59516140437 929 3    36 928 3      C-13-H3C(O)CH3
  428228.0961  0.0027 -4.0335 3  291.3984300  59516140437 829 3    36 928 3      C-13-H3C(O)CH3
  428228.0961  0.0027 -4.0335 3  291.3984300  59516140437 929 3    36 828 3      C-13-H3C(O)CH3
  428244.5184  0.0750 -6.6245 3  956.8351968  595161404603130 0    593227 0      C-13-H3C(O)CH3
  428249.6640  0.0705 -6.2885 3 1245.6128B76  595161404732251 1    732152 1      C-13-H3C(O)CH3
  428249.6640  0.0705 -5.5145 3 1245.6128B76  595161404732351 1    732152 1      C-13-H3C(O)CH3
  428249.6640  0.0705 -5.5145 3 1245.6128B76  595161404732251 1    732252 1      C-13-H3C(O)CH3
  428249.6640  0.0705 -6.2885 3 1245.6128B76  595161404732351 1    732252 1      C-13-H3C(O)CH3
  428255.2684  0.0738 -5.9529 3 1245.6137B76  595161404732251 2    732252 2      C-13-H3C(O)CH3
  428255.2684  0.0738 -5.6094 3 1245.6137B76  595161404732351 2    732252 2      C-13-H3C(O)CH3
  428255.2684  0.0738 -5.6094 3 1245.6137B76  595161404732251 2    732152 2      C-13-H3C(O)CH3
  428255.2684  0.0738 -5.9529 3 1245.6137B76  595161404732351 2    732152 2      C-13-H3C(O)CH3
  428269.6148  0.0030 -5.4873 3  291.4129600 -59516140437 929 1    36 828 1      C-13-H3C(O)CH3
  428269.6148  0.0030 -5.4873 3  291.4129600 -59516140437 829 1    36 928 1      C-13-H3C(O)CH3
  428269.6250  0.0030 -3.4207 3  291.4129600  59516140437 829 1    36 828 1      C-13-H3C(O)CH3
  428269.6250  0.0030 -3.4207 3  291.4129600  59516140437 929 1    36 928 1      C-13-H3C(O)CH3
  428270.7663  0.0030 -4.4046 3  291.4120600  59516140437 829 2    36 928 2      C-13-H3C(O)CH3
  428270.7663  0.0030 -3.4642 3  291.4120600  59516140437 929 2    36 928 2      C-13-H3C(O)CH3
  428270.8120  0.0030 -3.4642 3  291.4120600 -59516140437 829 2    36 828 2      C-13-H3C(O)CH3
  428270.8120  0.0030 -4.4046 3  291.4120600 -59516140437 929 2    36 828 2      C-13-H3C(O)CH3
  428281.9468  0.0367 -6.1276 3  665.2398396  595161404493119 3    492822 3      C-13-H3C(O)CH3
  428290.1426  0.0562 -6.0329 3 1245.6303588  595161404732351 3    732252 3      C-13-H3C(O)CH3
  428290.1426  0.0562 -6.0656 3 1245.6303588  595161404732351 3    732152 3      C-13-H3C(O)CH3
  428290.1426  0.0562 -6.0656 3 1245.6303588  595161404732251 3    732252 3      C-13-H3C(O)CH3
  428290.1426  0.0562 -6.0329 3 1245.6303588  595161404732251 3    732152 3      C-13-H3C(O)CH3
  428290.2537  0.0562 -5.8828 3 1245.6303588  595161404732351 4    732252 4      C-13-H3C(O)CH3
  428290.2537  0.0562 -6.3215 3 1245.6303588  595161404732351 4    732152 4      C-13-H3C(O)CH3
  428290.2537  0.0562 -5.8828 3 1245.6303588  595161404732251 4    732152 4      C-13-H3C(O)CH3
  428290.2537  0.0562 -6.3215 3 1245.6303588  595161404732251 4    732252 4      C-13-H3C(O)CH3
  428312.2193  0.0025 -3.4174 3  291.4266600  59516140437 929 0    36 828 0      C-13-H3C(O)CH3
  428312.2193  0.0025 -3.4174 3  291.4266600  59516140437 829 0    36 928 0      C-13-H3C(O)CH3
  428312.2553  0.0025 -6.4278 3  291.4266600 -59516140437 829 0    36 828 0      C-13-H3C(O)CH3
  428312.2553  0.0025 -6.4278 3  291.4266600 -59516140437 929 0    36 928 0      C-13-H3C(O)CH3
  428316.7986  0.0176 -4.5110 3  314.9963552  595161404342113 2    332212 2      C-13-H3C(O)CH3
  428367.6395  0.0903 -6.6224 3  956.8421968  595161404603130 2    593227 2      C-13-H3C(O)CH3
  428368.6142  0.0751 -6.6227 3  956.8409968  595161404603130 1    593227 1      C-13-H3C(O)CH3
  428383.8298  0.0205 -5.9610 3  595.8323904  59516140456 650 1    56 551 1      C-13-H3C(O)CH3
  428383.8298  0.0205 -4.6475 3  595.8323904  59516140456 650 1    56 651 1      C-13-H3C(O)CH3
  428383.8298  0.0205 -4.6475 3  595.8323904  59516140456 750 1    56 551 1      C-13-H3C(O)CH3
  428383.8298  0.0205 -5.9610 3  595.8323904  59516140456 750 1    56 651 1      C-13-H3C(O)CH3
  428384.2879  0.0200 -4.6269 3  595.8320904  59516140456 650 2    56 551 2      C-13-H3C(O)CH3
  428384.2879  0.0200 -4.6269 3  595.8320904  59516140456 750 2    56 651 2      C-13-H3C(O)CH3
  428423.9900  0.0047 -5.5144 3   72.7709140  5951614041712 5 3    16 9 8 3      C-13-H3C(O)CH3
  428488.8824  0.1548 -6.1449 3  684.4401808  595161404502921 2    493218 2      C-13-H3C(O)CH3
  428527.7036  0.0183 -4.9652 3  562.0120444  59516140455 650 4    55 551 4      C-13-H3C(O)CH3
  428527.7036  0.0183 -6.0886 3  562.0120444  59516140455 550 4    55 551 4      C-13-H3C(O)CH3
  428527.7036  0.0183 -4.9652 3  562.0120444  59516140455 550 4    55 451 4      C-13-H3C(O)CH3
  428527.7036  0.0183 -6.0886 3  562.0120444  59516140455 650 4    55 451 4      C-13-H3C(O)CH3
  428528.1931  0.0178 -4.9460 3  562.0120444  59516140455 650 3    55 451 3      C-13-H3C(O)CH3
  428528.1931  0.0178 -6.4864 3  562.0120444  59516140455 550 3    55 451 3      C-13-H3C(O)CH3
  428528.1931  0.0178 -4.9460 3  562.0120444  59516140455 550 3    55 551 3      C-13-H3C(O)CH3
  428528.1931  0.0178 -6.4864 3  562.0120444  59516140455 650 3    55 551 3      C-13-H3C(O)CH3
  428549.0865  0.0145 -4.6895 3  595.8520904  59516140456 650 0    56 551 0      C-13-H3C(O)CH3
  428549.0865  0.0145 -5.4958 3  595.8520904  59516140456 750 0    56 551 0      C-13-H3C(O)CH3
  428549.0865  0.0145 -4.6895 3  595.8520904  59516140456 750 0    56 651 0      C-13-H3C(O)CH3
  428549.0865  0.0145 -5.4958 3  595.8520904  59516140456 650 0    56 651 0      C-13-H3C(O)CH3
  428569.8615  0.0143 -4.5094 3  315.0166552  595161404342113 0    332212 0      C-13-H3C(O)CH3
  428580.7772  0.0221 -4.8095 3  314.9726276  595161404342113 4    332212 4      C-13-H3C(O)CH3
  428607.5777  0.0227 -5.4304 3  568.2710712  595161404443411 0    4335 8 0      C-13-H3C(O)CH3
  428607.5918  0.0227 -5.4304 3  568.2710712  595161404443410 0    4335 9 0      C-13-H3C(O)CH3
  428623.4438  0.0223 -4.8142 3  314.9718276  595161404342113 3    332212 3      C-13-H3C(O)CH3
  428626.2764  0.0123 -6.2789 3  300.7932536  595161404332211 1    331716 1      C-13-H3C(O)CH3
  428680.5341  0.0240 -5.4309 3  568.2803712  595161404443410 1    4335 8 1      C-13-H3C(O)CH3
  428682.1300  0.0126 -6.2772 3  300.8136536  595161404332211 0    331716 0      C-13-H3C(O)CH3
  428752.6980  0.0269 -5.8411 3  148.4481188  5951614042318 6 3    2217 5 3      C-13-H3C(O)CH3
  428778.6031  0.0197 -4.6424 3  562.0228888  59516140455 550 1    55 551 1      C-13-H3C(O)CH3
  428778.6031  0.0197 -4.6424 3  562.0228888  59516140455 650 1    55 451 1      C-13-H3C(O)CH3
  428778.6031  0.0197 -6.2637 3  562.0228888  59516140455 550 1    55 451 1      C-13-H3C(O)CH3
  428778.6031  0.0197 -6.2637 3  562.0228888  59516140455 650 1    55 551 1      C-13-H3C(O)CH3
  428779.1576  0.0185 -6.3101 3  562.0224888  59516140455 550 2    55 451 2      C-13-H3C(O)CH3
  428779.1576  0.0185 -4.6412 3  562.0224888  59516140455 650 2    55 451 2      C-13-H3C(O)CH3
  428779.1576  0.0185 -6.3101 3  562.0224888  59516140455 650 2    55 551 2      C-13-H3C(O)CH3
  428779.1576  0.0185 -4.6412 3  562.0224888  59516140455 550 2    55 551 2      C-13-H3C(O)CH3
  428783.4011  0.0125 -6.5809 3  300.7670268  595161404332211 4    331716 4      C-13-H3C(O)CH3
  428785.8990  0.0916 -6.1279 3  684.4380808  595161404502921 1    493218 1      C-13-H3C(O)CH3
  428811.0520  0.0223 -4.9596 3  528.8036436  59516140454 550 4    54 451 4      C-13-H3C(O)CH3
  428811.0520  0.0223 -4.9596 3  528.8036436  59516140454 450 4    54 351 4      C-13-H3C(O)CH3
  428811.4464  0.0216 -5.3612 3  528.8035436  59516140454 450 3    54 351 3      C-13-H3C(O)CH3
  428811.4464  0.0216 -5.1764 3  528.8035436  59516140454 450 3    54 451 3      C-13-H3C(O)CH3
  428811.4464  0.0216 -5.1764 3  528.8035436  59516140454 550 3    54 351 3      C-13-H3C(O)CH3
  428811.4464  0.0216 -5.3612 3  528.8035436  59516140454 550 3    54 451 3      C-13-H3C(O)CH3
  428816.6056  0.0131 -6.5853 3  300.7669268  595161404332211 3    331716 3      C-13-H3C(O)CH3
  428826.2079  0.0232 -5.4303 3  568.2464712  595161404443411 1    4335 9 1      C-13-H3C(O)CH3
  428834.2068  0.0221 -5.4296 3  568.2639712  595161404443411 2    4335 9 2      C-13-H3C(O)CH3
  428844.3752  0.0213 -5.0354 3  400.5974616  595161404382513 2    372611 2      C-13-H3C(O)CH3
  428848.1996  0.0163 -4.5093 3  314.9927552  595161404342113 1    332212 1      C-13-H3C(O)CH3
  428861.5837  0.0130 -6.2807 3  300.7874536  595161404332211 2    331716 2      C-13-H3C(O)CH3
  428878.2215  0.0317 -6.1000 3  572.1186728  595161404453115 1    452818 1      C-13-H3C(O)CH3
  428892.3827  0.0231 -5.2844 3  400.5783308  595161404382513 4    372611 4      C-13-H3C(O)CH3
  428900.8478  0.0607 -5.3736 3 1201.8819B60  595161404722251 0    722152 0      C-13-H3C(O)CH3
  428900.8478  0.0607 -5.3736 3 1201.8819B60  595161404722151 0    722052 0      C-13-H3C(O)CH3
  428901.1516  0.0032 -3.7236 3  148.4996188 -5951614042318 5 4    2217 5 4      C-13-H3C(O)CH3
  428905.6483  0.0257 -5.7311 3  568.2733356  595161404443410 3    4335 8 3      C-13-H3C(O)CH3
  428918.6472  0.0233 -5.4303 3  568.2838712  595161404443410 2    4335 8 2      C-13-H3C(O)CH3
  428932.3333  0.0082 -6.4913 3  211.5013236  595161404291316 4    291019 4      C-13-H3C(O)CH3
  428932.4136  0.0070 -6.4913 3  211.5013236  595161404291316 3    291019 3      C-13-H3C(O)CH3
  428933.6157  0.0376 -5.8563 3  646.1264776  595161404483217 0    482920 0      C-13-H3C(O)CH3
  428933.7485  0.0112 -5.8665 3  344.5591584  595161404361917 2    361620 2      C-13-H3C(O)CH3
  428943.1685  0.0082 -6.4913 3  211.5013236  595161404291416 4    291119 4      C-13-H3C(O)CH3
  428943.2932  0.0070 -6.4913 3  211.5013236  595161404291416 3    291119 3      C-13-H3C(O)CH3
  428949.2447  0.0696 -5.6108 3 1201.8960B60  595161404722151 1    722052 1      C-13-H3C(O)CH3
  428949.2447  0.0696 -5.7489 3 1201.8960B60  595161404722151 1    722152 1      C-13-H3C(O)CH3
  428949.2447  0.0696 -5.6108 3 1201.8960B60  595161404722251 1    722152 1      C-13-H3C(O)CH3
  428949.2447  0.0696 -5.7489 3 1201.8960B60  595161404722251 1    722052 1      C-13-H3C(O)CH3
  428954.4245  0.0722 -5.6402 3 1201.8966B60  595161404722151 2    722052 2      C-13-H3C(O)CH3
  428954.4245  0.0722 -5.7115 3 1201.8966B60  595161404722251 2    722052 2      C-13-H3C(O)CH3
  428954.4245  0.0722 -5.6402 3 1201.8966B60  595161404722251 2    722152 2      C-13-H3C(O)CH3
  428954.4245  0.0722 -5.7115 3 1201.8966B60  595161404722151 2    722152 2      C-13-H3C(O)CH3
  428956.6350  0.0299 -5.8654 3  572.1290728  595161404453115 0    452818 0      C-13-H3C(O)CH3
  428967.2799  0.0095 -5.8660 3  344.5871584  595161404361917 0    361620 0      C-13-H3C(O)CH3
  428981.3839  0.0467 -6.4120 3  572.1060364  595161404453115 4    452818 4      C-13-H3C(O)CH3
  428991.8993  0.0284 -5.7319 3  568.2931356  595161404443410 4    4335 8 4      C-13-H3C(O)CH3
  428993.2623  0.0029 -3.7271 3  148.4481188 -5951614042318 5 3    2217 5 3      C-13-H3C(O)CH3
  428997.0538  0.0048 -4.6208 3  102.5514164  5951614042013 8 4    1910 9 4      C-13-H3C(O)CH3
  428999.9393  0.0122 -6.1674 3  344.5341292  595161404361917 3    361620 3      C-13-H3C(O)CH3
  429001.3945  0.0121 -6.1674 3  344.5341292  595161404361917 4    361620 4      C-13-H3C(O)CH3
  429002.9137  0.0532 -5.6966 3 1201.9108580  595161404722151 3    722052 3      C-13-H3C(O)CH3
  429002.9137  0.0532 -5.6966 3 1201.9108580  595161404722251 3    722152 3      C-13-H3C(O)CH3
  429003.0475  0.0533 -5.7407 3 1201.9108580  595161404722251 4    722052 4      C-13-H3C(O)CH3
  429003.0475  0.0533 -6.5228 3 1201.9108580  595161404722251 4    722152 4      C-13-H3C(O)CH3
  429003.0475  0.0533 -6.5228 3 1201.9108580  595161404722151 4    722052 4      C-13-H3C(O)CH3
  429003.0475  0.0533 -5.7407 3 1201.9108580  595161404722151 4    722152 4      C-13-H3C(O)CH3
  429011.6107  0.3905 -6.2514 3  942.0685936  595161404583820 1    583523 1      C-13-H3C(O)CH3
  429029.1892  0.0150 -5.4748 3  562.0333888  59516140455 550 0    55 551 0      C-13-H3C(O)CH3
  429029.1892  0.0150 -4.6987 3  562.0333888  59516140455 550 0    55 451 0      C-13-H3C(O)CH3
  429029.1892  0.0150 -5.5102 3  562.0333888  59516140455 650 0    55 451 0      C-13-H3C(O)CH3
  429029.1892  0.0150 -4.6930 3  562.0333888  59516140455 650 0    55 551 0      C-13-H3C(O)CH3
  429029.4291  0.0031 -3.7267 3  148.4388188 -5951614042318 6 3    2217 6 3      C-13-H3C(O)CH3
  429033.2516  0.0108 -5.8661 3  344.5621584  595161404361917 1    361620 1      C-13-H3C(O)CH3
  429051.0326  0.0242 -5.7306 3  568.2391356  595161404443411 4    4335 9 4      C-13-H3C(O)CH3
  429068.1509  0.0290 -5.1155 3  496.1880428  59516140453 450 4    53 251 4      C-13-H3C(O)CH3
  429068.1509  0.0290 -5.1155 3  496.1880428  59516140453 350 4    53 351 4      C-13-H3C(O)CH3
  429068.1509  0.0290 -5.6834 3  496.1880428  59516140453 350 4    53 251 4      C-13-H3C(O)CH3
  429068.1509  0.0290 -5.6834 3  496.1880428  59516140453 450 4    53 351 4      C-13-H3C(O)CH3
  429068.2957  0.0281 -5.1143 3  496.1879428  59516140453 450 3    53 351 3      C-13-H3C(O)CH3
  429068.2957  0.0281 -5.1143 3  496.1879428  59516140453 350 3    53 251 3      C-13-H3C(O)CH3
  429068.2957  0.0281 -5.6879 3  496.1879428  59516140453 450 3    53 251 3      C-13-H3C(O)CH3
  429068.2957  0.0281 -5.6879 3  496.1879428  59516140453 350 3    53 351 3      C-13-H3C(O)CH3
  429076.4936  0.0070 -6.1894 3  211.5094472  595161404291316 2    291019 2      C-13-H3C(O)CH3
  429078.2237  0.1181 -6.5859 3 1699.8607668  595161404833152 4    833153 4      C-13-H3C(O)CH3
  429078.2237  0.1181 -6.5859 3 1699.8607668  595161404833252 4    833053 4      C-13-H3C(O)CH3
  429078.2849  0.1181 -6.5788 3 1699.8607668  595161404833152 3    833153 3      C-13-H3C(O)CH3
  429078.2849  0.1181 -6.5788 3 1699.8607668  595161404833252 3    833053 3      C-13-H3C(O)CH3
  429079.7171  0.0242 -5.4335 3  400.5689308  595161404382513 3    372611 3      C-13-H3C(O)CH3
  429087.5860  0.0070 -6.1894 3  211.5094472  595161404291416 2    291119 2      C-13-H3C(O)CH3
  429093.2669  0.0418 -6.1083 3  572.1173728  595161404453115 2    452818 2      C-13-H3C(O)CH3
  429098.1893  0.0028 -3.4221 3  148.4855376 -5951614042318 5 1    2217 5 1      C-13-H3C(O)CH3
  429098.5288  0.0051 -5.2503 3   72.7371280  5951614041712 5 2    16 9 8 2      C-13-H3C(O)CH3
  429099.6440  0.0049 -5.2627 3   72.7394280  5951614041712 5 1    16 9 8 1      C-13-H3C(O)CH3
  429122.2344  0.1480 -6.3450 3 1699.8453D36  595161404833252 1    833053 1      C-13-H3C(O)CH3
  429122.2344  0.1480 -6.2772 3 1699.8453D36  595161404833152 1    833153 1      C-13-H3C(O)CH3
  429122.4181  0.1383 -6.2682 3 1699.8488D36  595161404833152 2    833053 2      C-13-H3C(O)CH3
  429122.4181  0.1383 -6.2682 3 1699.8488D36  595161404833252 2    833153 2      C-13-H3C(O)CH3
  429122.4885  0.0028 -3.7236 3  148.3873188 -5951614042318 6 4    2217 6 4      C-13-H3C(O)CH3
  429123.4441  0.0070 -6.1888 3  211.5112472  595161404291316 1    291019 1      C-13-H3C(O)CH3
  429130.9949  0.0137 -5.1215 3  431.3162648  595161404402318 1    392415 1      C-13-H3C(O)CH3
  429133.0070  0.0498 -6.6033 3  788.0288808  5951614045045 5 1    4946 3 1      C-13-H3C(O)CH3
  429134.0957  0.0070 -6.1888 3  211.5112472  595161404291416 1    291119 1      C-13-H3C(O)CH3
  429135.8144  0.0256 -5.7313 3  568.2592356  595161404443411 3    4335 9 3      C-13-H3C(O)CH3
  429137.8714  0.0365 -5.9606 3  646.1184776  595161404483217 1    482920 1      C-13-H3C(O)CH3
  429138.6419  0.6195 -6.2638 3  942.0683936  595161404583820 2    583523 2      C-13-H3C(O)CH3
  429156.0619  0.0054 -4.6176 3  102.5508164  5951614042013 8 3    1910 9 3      C-13-H3C(O)CH3
  429156.8091  0.0029 -3.4217 3  148.4901376 -5951614042318 5 2    2217 5 2      C-13-H3C(O)CH3
  429162.8701  0.0223 -6.1491 3  528.8016872  59516140454 550 1    54 451 1      C-13-H3C(O)CH3
  429162.8701  0.0223 -4.6703 3  528.8016872  59516140454 550 1    54 351 1      C-13-H3C(O)CH3
  429162.8701  0.0223 -4.6703 3  528.8016872  59516140454 450 1    54 451 1      C-13-H3C(O)CH3
  429162.8701  0.0223 -6.1491 3  528.8016872  59516140454 450 1    54 351 1      C-13-H3C(O)CH3
  429163.3554  0.0200 -4.6731 3  528.8012872  59516140454 450 2    54 351 2      C-13-H3C(O)CH3
  429163.3554  0.0200 -6.0705 3  528.8012872  59516140454 450 2    54 451 2      C-13-H3C(O)CH3
  429163.3554  0.0200 -4.6731 3  528.8012872  59516140454 550 2    54 451 2      C-13-H3C(O)CH3
  429163.3554  0.0200 -6.0705 3  528.8012872  59516140454 550 2    54 351 2      C-13-H3C(O)CH3
  429166.3378  0.1547 -6.4420 3 1699.8334D36  595161404833252 0    833153 0      C-13-H3C(O)CH3
  429166.3378  0.1547 -6.2851 3 1699.8334D36  595161404833252 0    833053 0      C-13-H3C(O)CH3
  429192.4118  0.0537 -6.6043 3  788.0058808  5951614045045 5 2    4946 3 2      C-13-H3C(O)CH3
  429198.0740  0.0122 -5.1212 3  431.3354648  595161404402318 0    392415 0      C-13-H3C(O)CH3
  429212.8256  0.0042 -5.2084 3   72.7058280  5951614041712 5 0    16 9 8 0      C-13-H3C(O)CH3
  429225.3444  0.0027 -3.4219 3  148.4248376 -5951614042318 6 1    2217 6 1      C-13-H3C(O)CH3
  429249.5922  0.0028 -3.4219 3  148.4386376 -5951614042318 6 2    2217 6 2      C-13-H3C(O)CH3
  429261.6784  0.0168 -5.2323 3  400.5793616  595161404382513 1    372611 1      C-13-H3C(O)CH3
  429267.2758  0.0066 -6.1874 3  211.5192472  595161404291316 0    291019 0      C-13-H3C(O)CH3
  429270.1590  0.0265 -5.8403 3  148.4388188  5951614042318 5 3    2217 6 3      C-13-H3C(O)CH3
  429271.8949  0.0532 -6.3448 3  646.1075388  595161404483217 4    482920 4      C-13-H3C(O)CH3
  429278.1460  0.0066 -6.1874 3  211.5192472  595161404291416 0    291119 0      C-13-H3C(O)CH3
  429280.7727  0.0026 -4.6430 3  297.3685308 -59516140438 831 3    37 830 3      C-13-H3C(O)CH3
  429280.7727  0.0027 -3.7432 3  297.3685308 -59516140438 731 4    37 730 4      C-13-H3C(O)CH3
  429280.7727  0.0026 -3.7463 3  297.3685308 -59516140438 731 3    37 830 3      C-13-H3C(O)CH3
  429280.7727  0.0027 -3.7432 3  297.3685308 -59516140438 831 4    37 830 4      C-13-H3C(O)CH3
  429280.8468  0.0027 -4.6679 3  297.3685308  59516140438 831 4    37 730 4      C-13-H3C(O)CH3
  429280.8468  0.0027 -4.6679 3  297.3685308  59516140438 731 4    37 830 4      C-13-H3C(O)CH3
  429280.9061  0.0026 -4.6430 3  297.3685308  59516140438 731 3    37 730 3      C-13-H3C(O)CH3
  429280.9061  0.0026 -3.7463 3  297.3685308  59516140438 831 3    37 730 3      C-13-H3C(O)CH3
  429285.2533  0.0514 -5.9939 3  646.1158776  595161404483217 2    482920 2      C-13-H3C(O)CH3
  429298.4911  0.0375 -5.1206 3  464.1664420  59516140452 250 3    52 151 3      C-13-H3C(O)CH3
  429298.4911  0.0375 -5.1206 3  464.1664420  59516140452 350 3    52 251 3      C-13-H3C(O)CH3
  429298.8221  0.0384 -5.1266 3  464.1664420  59516140452 350 4    52 251 4      C-13-H3C(O)CH3
  429298.8221  0.0384 -5.1266 3  464.1664420  59516140452 250 4    52 151 4      C-13-H3C(O)CH3
  429311.7916  0.0181 -5.4178 3  431.2832324  595161404402318 4    392415 4      C-13-H3C(O)CH3
  429314.1869  0.0202 -5.4177 3  431.2832324  595161404402318 3    392415 3      C-13-H3C(O)CH3
  429322.5184  0.0031 -5.6734 3  297.3799616  59516140438 731 1    37 730 1      C-13-H3C(O)CH3
  429322.5184  0.0031 -5.6734 3  297.3799616  59516140438 831 1    37 830 1      C-13-H3C(O)CH3
  429322.5332  0.0031 -3.3956 3  297.3799616 -59516140438 731 1    37 830 1      C-13-H3C(O)CH3
  429322.5332  0.0031 -3.3956 3  297.3799616 -59516140438 831 1    37 730 1      C-13-H3C(O)CH3
  429323.3426  0.0030 -3.4823 3  297.3791616  59516140438 831 2    37 730 2      C-13-H3C(O)CH3
  429323.3426  0.0030 -3.4823 3  297.3791616  59516140438 731 2    37 830 2      C-13-H3C(O)CH3
  429323.3542  0.0030 -4.1258 3  297.3791616 -59516140438 831 2    37 830 2      C-13-H3C(O)CH3
  429323.3542  0.0030 -4.1258 3  297.3791616 -59516140438 731 2    37 730 2      C-13-H3C(O)CH3
  429330.6310  0.0028 -3.4211 3  148.4764376 -5951614042318 6 0    2217 5 0      C-13-H3C(O)CH3
  429332.7899  0.0077 -5.6288 3   72.7706140  5951614041712 5 4    16 9 8 4      C-13-H3C(O)CH3
  429339.1536  0.0129 -4.7720 3  400.5956616  595161404382513 0    372612 0      C-13-H3C(O)CH3
  429341.5731  0.0523 -6.6037 3  787.9927808  5951614045045 6 1    4946 4 1      C-13-H3C(O)CH3
  429364.8523  0.0025 -3.4141 3  297.3904616 -59516140438 731 0    37 730 0      C-13-H3C(O)CH3
  429364.8523  0.0025 -3.4141 3  297.3904616 -59516140438 831 0    37 830 0      C-13-H3C(O)CH3
  429364.8781  0.0025 -4.7244 3  297.3904616  59516140438 831 0    37 730 0      C-13-H3C(O)CH3
  429364.8781  0.0025 -4.7244 3  297.3904616  59516140438 731 0    37 830 0      C-13-H3C(O)CH3
  429365.1155  0.0127 -4.6930 3  374.0903600  595161404372315 2    362412 2      C-13-H3C(O)CH3
  429374.8885  0.0028 -3.4211 3  148.4754376 -5951614042318 5 0    2217 6 0      C-13-H3C(O)CH3
  429381.6515  0.0051 -4.3182 3  102.5320328  5951614042013 8 1    1910 9 1      C-13-H3C(O)CH3
  429382.3422  0.0169 -5.1164 3  431.3024648  595161404402318 2    392415 2      C-13-H3C(O)CH3
  429388.3299  0.0157 -4.9984 3  374.0688300  595161404372315 4    362412 4      C-13-H3C(O)CH3
  429412.5461  0.0369 -6.2868 3  550.2940712  595161404443114 1    442816 1      C-13-H3C(O)CH3
  429430.5135  0.0127 -4.9901 3  374.0677300  595161404372315 3    362412 3      C-13-H3C(O)CH3
  429460.6815  0.0528 -6.6337 3  747.0287396  5951614044943 6 4    4844 4 4      C-13-H3C(O)CH3
  429486.7544  0.1075 -6.0990 3  684.4341808  595161404502921 0    493218 0      C-13-H3C(O)CH3
  429493.4003  0.0527 -6.6474 3  550.2834356  595161404443114 4    442816 4      C-13-H3C(O)CH3
  429494.6230  0.0444 -6.6024 3  787.9753808  5951614045045 6 0    4946 4 0      C-13-H3C(O)CH3
  429494.6230  0.0444 -6.6024 3  787.9753808  5951614045045 5 0    4946 3 0      C-13-H3C(O)CH3
  429501.8172  0.0503 -5.3524 3  432.7398412  59516140451 250 3    51 051 3      C-13-H3C(O)CH3
  429501.8172  0.0503 -5.3493 3  432.7398412  59516140451 150 3    51 151 3      C-13-H3C(O)CH3
  429502.9426  0.0510 -5.3524 3  432.7398412  59516140451 250 4    51 051 4      C-13-H3C(O)CH3
  429502.9426  0.0510 -5.3524 3  432.7398412  59516140451 150 4    51 151 4      C-13-H3C(O)CH3
  429513.9679  0.0279 -5.3210 3  400.5545308  595161404382513 3    372612 3      C-13-H3C(O)CH3
  429514.1880  0.0178 -4.7154 3  528.7994872  59516140454 450 0    54 451 0      C-13-H3C(O)CH3
  429514.1880  0.0178 -4.7154 3  528.7994872  59516140454 550 0    54 351 0      C-13-H3C(O)CH3
  429514.1880  0.0178 -5.5431 3  528.7994872  59516140454 550 0    54 451 0      C-13-H3C(O)CH3
  429514.1880  0.0178 -5.5431 3  528.7994872  59516140454 450 0    54 351 0      C-13-H3C(O)CH3
  429537.6446  0.0316 -5.2496 3  496.1694856  59516140453 450 1    53 351 1      C-13-H3C(O)CH3
  429537.6446  0.0316 -5.2496 3  496.1694856  59516140453 350 1    53 251 1      C-13-H3C(O)CH3
  429537.6446  0.0316 -4.8570 3  496.1694856  59516140453 350 1    53 351 1      C-13-H3C(O)CH3
  429537.6446  0.0316 -4.8570 3  496.1694856  59516140453 450 1    53 251 1      C-13-H3C(O)CH3
  429537.7987  0.0286 -5.7529 3  496.1690856  59516140453 450 2    53 251 2      C-13-H3C(O)CH3
  429537.7987  0.0286 -4.7504 3  496.1690856  59516140453 450 2    53 351 2      C-13-H3C(O)CH3
  429537.7987  0.0286 -5.7529 3  496.1690856  59516140453 350 2    53 351 2      C-13-H3C(O)CH3
  429537.7987  0.0286 -4.7504 3  496.1690856  59516140453 350 2    53 251 2      C-13-H3C(O)CH3
  429538.9488  0.0051 -4.3195 3  102.5260328  5951614042013 8 2    1910 9 2      C-13-H3C(O)CH3
  429558.8953  0.0244 -5.1139 3  400.5736616  595161404382513 2    372612 2      C-13-H3C(O)CH3
  429560.1597  0.0579 -5.3522 3 1158.7431B44  595161404712151 0    711952 0      C-13-H3C(O)CH3
  429560.1597  0.0579 -6.2650 3 1158.7431B44  595161404712151 0    712052 0      C-13-H3C(O)CH3
  429560.1597  0.0579 -5.3522 3 1158.7431B44  595161404712051 0    712052 0      C-13-H3C(O)CH3
  429560.1597  0.0579 -6.2650 3 1158.7431B44  595161404712051 0    711952 0      C-13-H3C(O)CH3
  429575.6426  0.0160 -4.9565 3  400.5688616  595161404382513 1    372612 1      C-13-H3C(O)CH3
  429587.7664  0.0075 -4.6813 3  374.1066600  595161404372315 0    362412 0      C-13-H3C(O)CH3
  429587.9244  0.0047 -4.9627 3   68.5716148  59516140418 612 3    17 513 3      C-13-H3C(O)CH3
  429588.1772  0.0063 -4.9627 3   68.5717148  59516140418 612 4    17 513 4      C-13-H3C(O)CH3
  429588.5933  0.0047 -4.9627 3   68.5716148  59516140418 712 3    17 413 3      C-13-H3C(O)CH3
  429588.8386  0.0063 -4.9627 3   68.5717148  59516140418 712 4    17 413 4      C-13-H3C(O)CH3
  429590.3400  0.0351 -5.9307 3  550.3053712  595161404443113 0    442816 0      C-13-H3C(O)CH3
  429594.3009  0.0362 -6.3311 3  747.0066792  5951614044943 6 1    4844 4 1      C-13-H3C(O)CH3
  429622.1657  0.0675 -6.5873 3 1158.7542B44  595161404712051 1    711952 1      C-13-H3C(O)CH3
  429622.1657  0.0675 -5.3251 3 1158.7542B44  595161404712051 1    712052 1      C-13-H3C(O)CH3
  429622.1657  0.0675 -5.3251 3 1158.7542B44  595161404712151 1    711952 1      C-13-H3C(O)CH3
  429622.1657  0.0675 -6.5873 3 1158.7542B44  595161404712151 1    712052 1      C-13-H3C(O)CH3
  429626.7973  0.0696 -5.6756 3 1158.7546B44  595161404712051 2    711952 2      C-13-H3C(O)CH3
  429626.7973  0.0696 -5.5408 3 1158.7546B44  595161404712151 2    711952 2      C-13-H3C(O)CH3
  429626.7973  0.0696 -5.3031 3 1158.7546B44  595161404712051 2    712052 2      C-13-H3C(O)CH3
  429627.4887  0.0084 -4.6820 3  374.0848600  595161404372315 1    362412 1      C-13-H3C(O)CH3
  429688.9061  0.0503 -5.6422 3 1158.7656572  595161404712151 3    711952 3      C-13-H3C(O)CH3
  429688.9061  0.0503 -5.6422 3 1158.7656572  595161404712051 3    712052 3      C-13-H3C(O)CH3
  429688.9061  0.0503 -6.6653 3 1158.7656572  595161404712151 3    712052 3      C-13-H3C(O)CH3
  429688.9061  0.0503 -6.6653 3 1158.7656572  595161404712051 3    711952 3      C-13-H3C(O)CH3
  429689.0611  0.0504 -6.3230 3 1158.7656572  595161404712051 4    712052 4      C-13-H3C(O)CH3
  429689.0611  0.0504 -5.6946 3 1158.7656572  595161404712051 4    711952 4      C-13-H3C(O)CH3
  429689.0611  0.0504 -5.6946 3 1158.7656572  595161404712151 4    712052 4      C-13-H3C(O)CH3
  429689.0611  0.0504 -6.3230 3 1158.7656572  595161404712151 4    711952 4      C-13-H3C(O)CH3
  429697.0142  0.0536 -6.6034 3  787.9708808  5951614045045 6 2    4946 4 2      C-13-H3C(O)CH3
  429719.5293  0.0071 -4.1785 3  112.1363344  5951614042112 9 2    201110 2      C-13-H3C(O)CH3
  429720.8395  0.0483 -6.3089 3  550.2926712  595161404443114 2    442816 2      C-13-H3C(O)CH3
  429729.1954  0.0502 -6.6337 3  746.9888396  5951614044943 7 3    4844 5 3      C-13-H3C(O)CH3
  429762.2470  0.0384 -6.3317 3  746.9835792  5951614044943 6 2    4844 4 2      C-13-H3C(O)CH3
  429803.0886  0.0293 -5.8009 3  608.1035760  595161404472919 0    472622 0      C-13-H3C(O)CH3
  429812.7657  0.0068 -4.1780 3  112.1221344 -5951614042112 9 0    201110 0      C-13-H3C(O)CH3
  429825.9086  0.0075 -4.4806 3  112.1538172  5951614042112 9 3    201110 3      C-13-H3C(O)CH3
  429826.2162  0.0412 -6.2455 3  572.1186728  595161404453114 1    452818 1      C-13-H3C(O)CH3
  429842.3723  0.0046 -4.3194 3  102.5070328  5951614042013 8 0    1910 9 0      C-13-H3C(O)CH3
  429856.6936  0.0103 -4.4807 3  112.1538172  5951614042112 9 4    201110 4      C-13-H3C(O)CH3
  429858.1678  0.0531 -6.3397 3  572.1078364  595161404453115 3    452818 3      C-13-H3C(O)CH3
  429861.1741  0.0395 -6.3311 3  746.9667792  5951614044943 7 1    4844 5 1      C-13-H3C(O)CH3
  429888.7066  0.0290 -5.4866 3  400.5451308  595161404382513 4    372612 4      C-13-H3C(O)CH3
  429895.1966  0.0341 -6.3301 3  746.9612792  5951614044943 7 0    4844 5 0      C-13-H3C(O)CH3
  429895.1966  0.0341 -6.3301 3  746.9612792  5951614044943 6 0    4844 4 0      C-13-H3C(O)CH3
  429903.3697  0.0451 -6.3033 3  464.1263840  59516140452 250 2    52 251 2      C-13-H3C(O)CH3
  429903.3697  0.0451 -6.3033 3  464.1263840  59516140452 350 2    52 151 2      C-13-H3C(O)CH3
  429903.3697  0.0451 -4.8290 3  464.1263840  59516140452 250 2    52 151 2      C-13-H3C(O)CH3
  429903.3697  0.0451 -4.8290 3  464.1263840  59516140452 350 2    52 251 2      C-13-H3C(O)CH3
  429903.4922  0.0611 -6.4031 3  866.7631920  595161404573028 0    563125 0      C-13-H3C(O)CH3
  429903.9182  0.0484 -5.4140 3  464.1267840  59516140452 350 1    52 151 1      C-13-H3C(O)CH3
  429903.9182  0.0484 -5.4140 3  464.1267840  59516140452 250 1    52 251 1      C-13-H3C(O)CH3
  429903.9182  0.0484 -4.9407 3  464.1267840  59516140452 350 1    52 251 1      C-13-H3C(O)CH3
  429903.9182  0.0484 -4.9407 3  464.1267840  59516140452 250 1    52 151 1      C-13-H3C(O)CH3
  429908.1303  0.0486 -6.6325 3  746.9991396  5951614044943 6 3    4844 4 3      C-13-H3C(O)CH3
  429919.0594  0.0053 -4.6605 3   68.5279296  59516140418 612 2    17 513 2      C-13-H3C(O)CH3
  429919.7577  0.0053 -4.6605 3   68.5279296  59516140418 712 2    17 413 2      C-13-H3C(O)CH3
  429931.9266  0.0070 -4.1791 3  112.1396344  5951614042112 9 1    201110 1      C-13-H3C(O)CH3
  429933.7043  0.0052 -4.6607 3   68.5286296  59516140418 612 1    17 513 1      C-13-H3C(O)CH3
  429934.3757  0.0052 -4.6607 3   68.5286296  59516140418 712 1    17 413 1      C-13-H3C(O)CH3
  429993.6083  0.0294 -5.8005 3  608.0898760  595161404472919 1    472622 1      C-13-H3C(O)CH3
  430006.2575  0.0258 -4.7162 3  496.1505856  59516140453 450 0    53 351 0      C-13-H3C(O)CH3
  430006.2575  0.0258 -5.9465 3  496.1505856  59516140453 350 0    53 351 0      C-13-H3C(O)CH3
  430006.2575  0.0258 -6.4372 3  496.1505856  59516140453 450 0    53 251 0      C-13-H3C(O)CH3
  430006.2575  0.0258 -4.7339 3  496.1505856  59516140453 350 0    53 251 0      C-13-H3C(O)CH3
  430014.7514  0.0107 -5.8649 3  344.5592584  595161404362017 2    361720 2      C-13-H3C(O)CH3
  430022.0615  0.0094 -5.8643 3  344.5872584  595161404362017 0    361720 0      C-13-H3C(O)CH3
  430037.9765  0.0253 -5.8009 3  608.0867760  595161404472919 2    472622 2      C-13-H3C(O)CH3
  430058.1977  0.1064 -6.4747 3 1650.4260660  595161404823052 4    822953 4      C-13-H3C(O)CH3
  430058.1977  0.1064 -6.4747 3 1650.4260660  595161404823152 4    823053 4      C-13-H3C(O)CH3
  430058.2478  0.1064 -6.4717 3 1650.4259660  595161404823152 3    823053 3      C-13-H3C(O)CH3
  430058.2478  0.1064 -6.4717 3 1650.4259660  595161404823052 3    822953 3      C-13-H3C(O)CH3
  430063.6109  0.0160 -6.3716 3  304.4903536  595161404332310 1    331815 1      C-13-H3C(O)CH3
  430079.5743  0.0114 -6.1658 3  344.5341292  595161404362017 4    361720 4      C-13-H3C(O)CH3
  430079.7328  0.0112 -6.1658 3  344.5341292  595161404362017 3    361720 3      C-13-H3C(O)CH3
  430082.3883  0.0601 -6.4012 3  866.7623920  595161404573028 1    563125 1      C-13-H3C(O)CH3
  430086.6273  0.0104 -5.8644 3  344.5622584  595161404362017 1    361720 1      C-13-H3C(O)CH3
  430098.2267  0.1269 -6.1724 3 1650.4084D20  595161404823152 1    823053 1      C-13-H3C(O)CH3
  430098.2267  0.1269 -6.1724 3 1650.4084D20  595161404823052 1    822953 1      C-13-H3C(O)CH3
  430099.8929  0.1208 -6.2074 3 1650.4117D20  595161404823052 2    822953 2      C-13-H3C(O)CH3
  430099.8929  0.1208 -6.2074 3 1650.4117D20  595161404823152 2    823053 2      C-13-H3C(O)CH3
  430101.4216  0.0841 -6.4006 3  866.7622920  595161404573028 2    563125 2      C-13-H3C(O)CH3
  430139.8542  0.1342 -6.1667 3 1650.3942D20  595161404823152 0    822953 0      C-13-H3C(O)CH3
  430139.8542  0.1342 -6.1667 3 1650.3942D20  595161404823052 0    823053 0      C-13-H3C(O)CH3
  430174.4484  0.0519 -6.6326 3  746.9592396  5951614044943 7 4    4844 5 4      C-13-H3C(O)CH3
  430178.9739  0.0629 -6.1860 3  646.1082388  595161404483217 3    482920 3      C-13-H3C(O)CH3
  430194.3409  0.0544 -5.2349 3 1116.1808B28  595161404701951 0    701952 0      C-13-H3C(O)CH3
  430194.3409  0.0544 -5.2349 3 1116.1808B28  595161404702051 0    701852 0      C-13-H3C(O)CH3
  430206.9445  0.0211 -6.1017 3  608.0730380  595161404472919 4    472622 4      C-13-H3C(O)CH3
  430207.6568  0.0389 -6.3305 3  746.9538792  5951614044943 7 2    4844 5 2      C-13-H3C(O)CH3
  430233.7259  0.0645 -6.6549 3  572.1078364  595161404453114 3    452818 3      C-13-H3C(O)CH3
  430252.0422  0.0212 -6.1013 3  608.0730380  595161404472919 3    472622 3      C-13-H3C(O)CH3
  430259.8315  0.0051 -4.0967 3  236.9318244  595161404301614 3    291713 3      C-13-H3C(O)CH3
  430260.2365  0.0189 -6.6366 3  304.4630268  595161404332310 4    331815 4      C-13-H3C(O)CH3
  430260.9105  0.0695 -6.1720 3  432.6738824  59516140451 250 2    51 151 2      C-13-H3C(O)CH3
  430260.9105  0.0695 -5.0799 3  432.6738824  59516140451 250 2    51 051 2      C-13-H3C(O)CH3
  430260.9105  0.0695 -6.1720 3  432.6738824  59516140451 150 2    51 051 2      C-13-H3C(O)CH3
  430260.9105  0.0695 -5.0799 3  432.6738824  59516140451 150 2    51 151 2      C-13-H3C(O)CH3
  430262.6558  0.0728 -5.5090 3  432.6741824  59516140451 150 1    51 151 1      C-13-H3C(O)CH3
  430262.6558  0.0728 -5.2298 3  432.6741824  59516140451 150 1    51 051 1      C-13-H3C(O)CH3
  430262.6558  0.0728 -5.2298 3  432.6741824  59516140451 250 1    51 151 1      C-13-H3C(O)CH3
  430262.6558  0.0728 -5.5090 3  432.6741824  59516140451 250 1    51 051 1      C-13-H3C(O)CH3
  430264.0782  0.0052 -4.6595 3   68.4850296  59516140418 612 0    17 513 0      C-13-H3C(O)CH3
  430264.7822  0.0052 -4.6595 3   68.4850296  59516140418 712 0    17 413 0      C-13-H3C(O)CH3
  430266.0433  0.0039 -4.0966 3  236.9317244  595161404301614 4    291713 4      C-13-H3C(O)CH3
  430269.4812  0.0642 -6.0944 3 1116.1882B28  595161404701951 1    701952 1      C-13-H3C(O)CH3
  430269.4812  0.0642 -6.0944 3 1116.1882B28  595161404702051 1    701852 1      C-13-H3C(O)CH3
  430269.4812  0.0642 -5.2971 3 1116.1882B28  595161404701951 1    701852 1      C-13-H3C(O)CH3
  430269.4812  0.0642 -5.2971 3 1116.1882B28  595161404702051 1    701952 1      C-13-H3C(O)CH3
  430273.4755  0.0658 -5.6361 3 1116.1885B28  595161404701951 2    701852 2      C-13-H3C(O)CH3
  430273.4755  0.0658 -5.4511 3 1116.1885B28  595161404702051 2    701852 2      C-13-H3C(O)CH3
  430273.4755  0.0658 -5.4511 3 1116.1885B28  595161404701951 2    701952 2      C-13-H3C(O)CH3
  430273.4755  0.0658 -5.6361 3 1116.1885B28  595161404702051 2    701952 2      C-13-H3C(O)CH3
  430283.8022  0.0418 -6.1824 3  550.2940712  595161404443113 1    442816 1      C-13-H3C(O)CH3
  430286.6930  0.0040 -3.7966 3  236.9445488 -595161404301614 2    291713 2      C-13-H3C(O)CH3
  430297.7546  0.0147 -6.3301 3  304.5087536  595161404332310 0    331815 0      C-13-H3C(O)CH3
  430312.4532  0.0036 -5.0565 3  153.8719196  5951614042416 9 4    2315 9 4      C-13-H3C(O)CH3
  430348.7284  0.0475 -5.6737 3 1116.1959564  595161404702051 3    701852 3      C-13-H3C(O)CH3
  430348.7284  0.0475 -6.0933 3 1116.1959564  595161404702051 3    701952 3      C-13-H3C(O)CH3
  430348.7284  0.0475 -6.0933 3 1116.1959564  595161404701951 3    701852 3      C-13-H3C(O)CH3
  430348.7284  0.0475 -5.6737 3 1116.1959564  595161404701951 3    701952 3      C-13-H3C(O)CH3
  430348.9019  0.0476 -5.7349 3 1116.1959564  595161404702051 4    701952 4      C-13-H3C(O)CH3
  430348.9019  0.0476 -5.9644 3 1116.1959564  595161404702051 4    701852 4      C-13-H3C(O)CH3
  430348.9019  0.0476 -5.9644 3 1116.1959564  595161404701951 4    701952 4      C-13-H3C(O)CH3
  430348.9019  0.0476 -5.7349 3 1116.1959564  595161404701951 4    701852 4      C-13-H3C(O)CH3
  430351.6185  0.0026 -4.8759 3  302.7919316  59516140439 633 4    38 632 4      C-13-H3C(O)CH3
  430351.6185  0.0026 -4.8759 3  302.7919316  59516140439 733 4    38 732 4      C-13-H3C(O)CH3
  430351.6539  0.0026 -3.7001 3  302.7919316 -59516140439 733 4    38 632 4      C-13-H3C(O)CH3
  430351.6539  0.0026 -4.6552 3  302.7919316 -59516140439 633 3    38 732 3      C-13-H3C(O)CH3
  430351.6539  0.0026 -3.7001 3  302.7919316 -59516140439 633 4    38 732 4      C-13-H3C(O)CH3
  430351.6539  0.0026 -4.6552 3  302.7919316 -59516140439 733 3    38 632 3      C-13-H3C(O)CH3
  430351.6650  0.0026 -3.7197 3  302.7919316  59516140439 633 3    38 632 3      C-13-H3C(O)CH3
  430351.6650  0.0026 -3.7197 3  302.7919316  59516140439 733 3    38 732 3      C-13-H3C(O)CH3
  430352.9545  0.0042 -3.7955 3  236.9500488 -595161404301614 1    291713 1      C-13-H3C(O)CH3
  430378.5561  0.0036 -3.7964 3  236.9628488 -595161404301614 0    291713 0      C-13-H3C(O)CH3
  430393.0880  0.0031 -4.7225 3  302.7989632  59516140439 733 1    38 732 1      C-13-H3C(O)CH3
  430393.0880  0.0031 -3.3907 3  302.7989632  59516140439 633 1    38 732 1      C-13-H3C(O)CH3
  430393.1327  0.0031 -3.3907 3  302.7989632 -59516140439 733 1    38 632 1      C-13-H3C(O)CH3
  430393.1327  0.0031 -4.7225 3  302.7989632 -59516140439 633 1    38 632 1      C-13-H3C(O)CH3
  430393.6450  0.0030 -5.5214 3  302.7983632 -59516140439 633 2    38 632 2      C-13-H3C(O)CH3
  430393.6450  0.0030 -3.3741 3  302.7983632 -59516140439 733 2    38 632 2      C-13-H3C(O)CH3
  430393.6725  0.0030 -5.5214 3  302.7983632  59516140439 733 2    38 732 2      C-13-H3C(O)CH3
  430393.6725  0.0030 -3.3741 3  302.7983632  59516140439 633 2    38 732 2      C-13-H3C(O)CH3
  430394.2237  0.0630 -6.2376 3  572.1173728  595161404453114 2    452818 2      C-13-H3C(O)CH3
  430406.8273  0.0025 -6.4463 3  153.8761196  5951614042416 9 3    2315 9 3      C-13-H3C(O)CH3
  430409.7780  0.0179 -5.0355 3  477.2651664  595161404412913 2    403011 2      C-13-H3C(O)CH3
  430435.0172  0.0025 -3.4509 3  302.8053632  59516140439 633 0    38 632 0      C-13-H3C(O)CH3
  430435.0172  0.0025 -4.1452 3  302.8053632  59516140439 733 0    38 632 0      C-13-H3C(O)CH3
  430435.0653  0.0025 -4.1452 3  302.8053632 -59516140439 633 0    38 732 0      C-13-H3C(O)CH3
  430435.0653  0.0025 -3.4509 3  302.8053632 -59516140439 733 0    38 732 0      C-13-H3C(O)CH3
  430436.5175  0.0291 -6.0905 3  707.2857776  5951614044841 7 1    4742 5 1      C-13-H3C(O)CH3
  430454.9632  0.0166 -5.0359 3  477.2794664  595161404412913 0    403010 0      C-13-H3C(O)CH3
  430461.3459  0.0391 -6.3927 3  707.3025388  5951614044841 7 4    4742 5 4      C-13-H3C(O)CH3
  430465.2866  0.0507 -6.5300 3  646.1184776  595161404483216 1    482920 1      C-13-H3C(O)CH3
  430468.8520  0.5298 -6.5013 3  942.0508468  595161404583820 3    583523 3      C-13-H3C(O)CH3
  430486.0172  0.0605 -6.6089 3  550.2794356  595161404443114 3    442816 3      C-13-H3C(O)CH3
  430486.1178  0.2801 -6.1413 3  879.6412904  595161404563719 0    563422 0      C-13-H3C(O)CH3
  430496.7516  0.0166 -5.0358 3  477.2794664  595161404412912 0    403011 0      C-13-H3C(O)CH3
  430506.0095  0.0029 -5.1751 3  153.8768392  5951614042416 9 1    2315 9 1      C-13-H3C(O)CH3
  430507.4870  0.0406 -5.6458 3  464.0867840  59516140452 250 0    52 251 0      C-13-H3C(O)CH3
  430507.4870  0.0406 -4.8822 3  464.0867840  59516140452 350 0    52 251 0      C-13-H3C(O)CH3
  430507.4870  0.0406 -4.8640 3  464.0867840  59516140452 250 0    52 151 0      C-13-H3C(O)CH3
  430507.4870  0.0406 -5.7695 3  464.0867840  59516140452 350 0    52 151 0      C-13-H3C(O)CH3
  430553.7532  0.0199 -5.3362 3  477.2357332  595161404412913 4    403011 4      C-13-H3C(O)CH3
  430569.5276  0.0191 -5.3385 3  477.2584332  595161404412913 3    403011 3      C-13-H3C(O)CH3
  430572.3235  0.0189 -6.3617 3  304.4812536  595161404332310 2    331815 2      C-13-H3C(O)CH3
  430572.4304  0.0027 -5.4913 3  153.8764392  5951614042416 9 2    2315 9 2      C-13-H3C(O)CH3
  430604.3887  0.1107 -6.2460 3  655.3764396  595161404492821 3    483118 3      C-13-H3C(O)CH3
  430617.9681  0.0176 -5.0359 3  477.2502664  595161404412913 1    403011 1      C-13-H3C(O)CH3
  430638.6874  0.0173 -5.0363 3  477.2728664  595161404412912 1    403010 1      C-13-H3C(O)CH3
  430653.1261  0.0285 -6.0895 3  707.2490776  5951614044841 8 0    4742 6 0      C-13-H3C(O)CH3
  430653.1261  0.0285 -6.0895 3  707.2490776  5951614044841 7 0    4742 5 0      C-13-H3C(O)CH3
  430677.2887  0.0309 -6.0907 3  707.2660776  5951614044841 7 2    4742 5 2      C-13-H3C(O)CH3
  430689.5562  0.0046 -4.5488 3  100.2234164  5951614042012 9 4    19 910 4      C-13-H3C(O)CH3
  430693.1012  0.0171 -5.0355 3  477.2898664  595161404412912 2    403010 2      C-13-H3C(O)CH3
  430713.9533  0.0039 -4.5488 3  100.2232164  5951614042012 9 3    19 910 3      C-13-H3C(O)CH3
  430723.3760  0.0333 -6.0902 3  707.2448776  5951614044841 8 1    4742 6 1      C-13-H3C(O)CH3
  430748.9079  0.0396 -6.3925 3  707.2617388  5951614044841 8 3    4742 6 3      C-13-H3C(O)CH3
  430768.0014  0.0669 -6.4695 3  550.2794356  595161404443113 3    442816 3      C-13-H3C(O)CH3
  430804.9907  0.0502 -5.2453 3 1074.1960B12  595161404691951 0    691752 0      C-13-H3C(O)CH3
  430804.9907  0.0502 -5.9450 3 1074.1960B12  595161404691951 0    691852 0      C-13-H3C(O)CH3
  430804.9907  0.0502 -5.9450 3 1074.1960B12  595161404691851 0    691752 0      C-13-H3C(O)CH3
  430804.9907  0.0502 -5.2453 3 1074.1960B12  595161404691851 0    691852 0      C-13-H3C(O)CH3
  430808.3179  0.0370 -6.3915 3  707.2781388  5951614044841 7 3    4742 5 3      C-13-H3C(O)CH3
  430835.0899  0.0176 -5.3382 3  477.2605332  595161404412912 3    403010 3      C-13-H3C(O)CH3
  430852.2990  0.0185 -5.3366 3  477.2832332  595161404412912 4    403010 4      C-13-H3C(O)CH3
  430873.1930  0.0598 -6.1679 3  550.2926712  595161404443113 2    442816 2      C-13-H3C(O)CH3
  430892.2327  0.0598 -5.2335 3 1074.1993B12  595161404691851 1    691752 1      C-13-H3C(O)CH3
  430892.2327  0.0598 -6.0080 3 1074.1993B12  595161404691951 1    691752 1      C-13-H3C(O)CH3
  430892.2327  0.0598 -6.0080 3 1074.1993B12  595161404691851 1    691852 1      C-13-H3C(O)CH3
  430892.2327  0.0598 -5.2335 3 1074.1993B12  595161404691951 1    691852 1      C-13-H3C(O)CH3
  430895.5377  0.0610 -5.1734 3 1074.1994B12  595161404691951 2    691752 2      C-13-H3C(O)CH3
  430895.5377  0.0610 -6.2058 3 1074.1994B12  595161404691951 2    691852 2      C-13-H3C(O)CH3
  430895.5377  0.0610 -5.2076 3 1074.1994B12  595161404691851 2    691852 2      C-13-H3C(O)CH3
  430922.3791  0.0037 -4.2474 3  100.2036328  5951614042012 9 1    19 910 1      C-13-H3C(O)CH3
  430926.4742  0.0038 -4.2477 3  100.2003328  5951614042012 9 2    19 910 2      C-13-H3C(O)CH3
  430953.5663  0.0898 -6.4288 3  646.1158776  595161404483216 2    482920 2      C-13-H3C(O)CH3
  430982.9007  0.0446 -5.4748 3 1074.2026556  595161404691951 3    691852 3      C-13-H3C(O)CH3
  430982.9007  0.0446 -5.4748 3 1074.2026556  595161404691851 3    691752 3      C-13-H3C(O)CH3
  430983.0882  0.0447 -5.4678 3 1074.2026556  595161404691851 4    691752 4      C-13-H3C(O)CH3
  430983.0882  0.0447 -5.4678 3 1074.2026556  595161404691951 4    691852 4      C-13-H3C(O)CH3
  430989.7538  0.0936 -6.2746 3  655.3637396  595161404492821 4    483118 4      C-13-H3C(O)CH3
  430995.6667  0.0127 -4.1251 3  257.8062504  595161404311813 2    301912 2      C-13-H3C(O)CH3
  431003.3264  0.0963 -6.5926 3 1601.5554652  595161404812952 4    812853 4      C-13-H3C(O)CH3
  431003.3264  0.0963 -6.5926 3 1601.5554652  595161404813052 4    812953 4      C-13-H3C(O)CH3
  431003.3632  0.0963 -6.3709 3 1601.5554652  595161404812952 3    812853 3      C-13-H3C(O)CH3
  431003.3632  0.0963 -6.3709 3 1601.5554652  595161404813052 3    812953 3      C-13-H3C(O)CH3
  431017.2308  0.6436 -6.6281 3  942.0516468  595161404583820 4    583523 4      C-13-H3C(O)CH3
  431019.8529  0.0632 -5.0705 3  432.6083824  59516140451 150 0    51 051 0      C-13-H3C(O)CH3
  431019.8529  0.0632 -5.0705 3  432.6083824  59516140451 250 0    51 151 0      C-13-H3C(O)CH3
  431019.8529  0.0632 -6.2752 3  432.6083824  59516140451 250 0    51 051 0      C-13-H3C(O)CH3
  431019.8529  0.0632 -6.2752 3  432.6083824  59516140451 150 0    51 151 0      C-13-H3C(O)CH3
  431023.3805  0.0315 -6.0895 3  707.2414776  5951614044841 8 2    4742 6 2      C-13-H3C(O)CH3
  431038.0388  0.1088 -6.1425 3 1601.5360D04  595161404813052 1    812953 1      C-13-H3C(O)CH3
  431038.0388  0.1088 -6.1425 3 1601.5360D04  595161404812952 1    812853 1      C-13-H3C(O)CH3
  431041.0104  0.1061 -6.1289 3 1601.5391D04  595161404813052 2    812853 2      C-13-H3C(O)CH3
  431041.0104  0.1061 -6.1289 3 1601.5391D04  595161404812952 2    812953 2      C-13-H3C(O)CH3
  431075.6806  0.1163 -6.1773 3 1601.5197D04  595161404812952 0    812853 0      C-13-H3C(O)CH3
  431075.6806  0.1163 -6.1773 3 1601.5197D04  595161404813052 0    812953 0      C-13-H3C(O)CH3
  431093.8148  0.0420 -6.3912 3  707.2372388  5951614044841 8 4    4742 6 4      C-13-H3C(O)CH3
  431101.6097  0.0457 -5.8656 3  423.6653316  595161404392614 4    382711 4      C-13-H3C(O)CH3
  431103.3774  0.1466 -6.2468 3  713.7249412  595161404513021 3    512724 3      C-13-H3C(O)CH3
  431115.8607  0.1466 -6.2468 3  713.7249412  595161404513021 4    512724 4      C-13-H3C(O)CH3
  431133.1848  0.0513 -5.8548 3  694.6483808  595161404503219 0    502922 0      C-13-H3C(O)CH3
  431142.9352  0.0116 -6.4747 3  262.2113504  595161404312011 0    311516 0      C-13-H3C(O)CH3
  431146.2953  0.0038 -4.2473 3  100.1807328  5951614042012 9 0    19 910 0      C-13-H3C(O)CH3
  431164.6747  0.0111 -4.1246 3  257.8257504  595161404311813 0    301912 0      C-13-H3C(O)CH3
  431176.5323  0.0119 -6.4768 3  262.1892504  595161404312011 2    311516 2      C-13-H3C(O)CH3
  431183.5112  0.0067 -5.5954 3   50.3848140  59516140417 314 3    16 215 3      C-13-H3C(O)CH3
  431183.5113  0.0067 -5.5954 3   50.3848140  59516140417 414 3    16 115 3      C-13-H3C(O)CH3
  431183.9081  0.0082 -5.5954 3   50.3848140  59516140417 314 4    16 215 4      C-13-H3C(O)CH3
  431183.9082  0.0082 -5.5954 3   50.3848140  59516140417 414 4    16 115 4      C-13-H3C(O)CH3
  431207.1463  0.0170 -4.3984 3  295.2779536  595161404332013 2    322112 2      C-13-H3C(O)CH3
  431219.7220  0.0750 -6.5356 3  572.1060364  595161404453114 4    452818 4      C-13-H3C(O)CH3
  431219.8836  0.0118 -6.4778 3  262.1936504  595161404312011 1    311516 1      C-13-H3C(O)CH3
  431226.8390  0.0165 -4.4237 3  257.7891252  595161404311813 3    301912 3      C-13-H3C(O)CH3
  431242.6391  0.0152 -4.4236 3  257.7889252  595161404311813 4    301912 4      C-13-H3C(O)CH3
  431336.9798  0.0364 -5.3988 3  423.6805632  595161404392614 2    382711 2      C-13-H3C(O)CH3
  431351.9959  0.1097 -5.9501 3  655.3688792  595161404492821 2    483118 2      C-13-H3C(O)CH3
  431393.7804  0.0456 -5.3091 3 1032.7895A96  595161404681751 0    681652 0      C-13-H3C(O)CH3
  431393.7804  0.0456 -5.5232 3 1032.7895A96  595161404681751 0    681752 0      C-13-H3C(O)CH3
  431393.7804  0.0456 -5.5232 3 1032.7895A96  595161404681851 0    681652 0      C-13-H3C(O)CH3
  431393.7804  0.0456 -5.3091 3 1032.7895A96  595161404681851 0    681752 0      C-13-H3C(O)CH3
  431396.2442  0.0132 -4.1221 3  257.8086504  595161404311813 1    301912 1      C-13-H3C(O)CH3
  431435.7066  0.0026 -3.6810 3  307.6714324  59516140440 535 4    39 634 4      C-13-H3C(O)CH3
  431435.7066  0.0026 -4.8206 3  307.6714324  59516140440 635 4    39 634 4      C-13-H3C(O)CH3
  431435.7355  0.0026 -3.6810 3  307.6714324 -59516140440 635 4    39 534 4      C-13-H3C(O)CH3
  431435.7355  0.0025 -4.2236 3  307.6713324 -59516140440 535 3    39 534 3      C-13-H3C(O)CH3
  431435.7355  0.0025 -3.7856 3  307.6713324 -59516140440 635 3    39 534 3      C-13-H3C(O)CH3
  431435.7355  0.0026 -4.8206 3  307.6714324 -59516140440 535 4    39 534 4      C-13-H3C(O)CH3
  431435.7384  0.0025 -4.2236 3  307.6713324  59516140440 635 3    39 634 3      C-13-H3C(O)CH3
  431435.7384  0.0025 -3.7856 3  307.6713324  59516140440 535 3    39 634 3      C-13-H3C(O)CH3
  431450.6736  0.0144 -4.3978 3  295.2985536  595161404332013 0    322112 0      C-13-H3C(O)CH3
  431476.3289  0.0031 -3.7061 3  307.6726648  59516140440 635 1    39 634 1      C-13-H3C(O)CH3
  431476.3289  0.0031 -3.7061 3  307.6726648  59516140440 535 1    39 534 1      C-13-H3C(O)CH3
  431476.5213  0.0031 -3.6013 3  307.6726648 -59516140440 635 1    39 534 1      C-13-H3C(O)CH3
  431476.5213  0.0031 -3.6013 3  307.6726648 -59516140440 535 1    39 634 1      C-13-H3C(O)CH3
  431476.5213  0.0030 -3.4433 3  307.6721648 -59516140440 635 2    39 534 2      C-13-H3C(O)CH3
  431476.5213  0.0030 -3.4433 3  307.6721648 -59516140440 535 2    39 634 2      C-13-H3C(O)CH3
  431476.7273  0.0030 -4.0614 3  307.6721648  59516140440 535 2    39 534 2      C-13-H3C(O)CH3
  431476.7273  0.0030 -4.0614 3  307.6721648  59516140440 635 2    39 634 2      C-13-H3C(O)CH3
  431491.4527  0.0545 -5.1212 3 1032.7882A96  595161404681751 1    681752 1      C-13-H3C(O)CH3
  431491.4527  0.0545 -5.1212 3 1032.7882A96  595161404681851 1    681652 1      C-13-H3C(O)CH3
  431491.4527  0.0545 -6.4614 3 1032.7882A96  595161404681851 1    681752 1      C-13-H3C(O)CH3
  431491.4527  0.0545 -6.4614 3 1032.7882A96  595161404681751 1    681652 1      C-13-H3C(O)CH3
  431494.0542  0.0552 -5.1721 3 1032.7882A96  595161404681751 2    681652 2      C-13-H3C(O)CH3
  431494.0542  0.0552 -5.1721 3 1032.7882A96  595161404681851 2    681752 2      C-13-H3C(O)CH3
  431494.0542  0.0552 -5.9275 3 1032.7882A96  595161404681851 2    681652 2      C-13-H3C(O)CH3
  431494.0542  0.0552 -5.9275 3 1032.7882A96  595161404681751 2    681752 2      C-13-H3C(O)CH3
  431504.6405  0.0216 -4.6976 3  295.2557268  595161404332013 4    322112 4      C-13-H3C(O)CH3
  431517.2380  0.0025 -3.9005 3  307.6734648  59516140440 635 0    39 534 0      C-13-H3C(O)CH3
  431517.2380  0.0025 -3.9005 3  307.6734648  59516140440 535 0    39 634 0      C-13-H3C(O)CH3
  431517.2606  0.0025 -3.4928 3  307.6734648 -59516140440 635 0    39 634 0      C-13-H3C(O)CH3
  431517.2606  0.0025 -3.4928 3  307.6734648 -59516140440 535 0    39 534 0      C-13-H3C(O)CH3
  431518.2571  0.0648 -6.4428 3  550.2834356  595161404443113 4    442816 4      C-13-H3C(O)CH3
  431519.1009  0.0451 -5.8583 3  694.6409808  595161404503219 1    502922 1      C-13-H3C(O)CH3
  431524.3924  0.0204 -4.6988 3  295.2554268  595161404332013 3    322112 3      C-13-H3C(O)CH3
  431556.1695  0.1479 -5.9472 3  713.7316824  595161404513021 2    512724 2      C-13-H3C(O)CH3
  431591.8542  0.0418 -5.5325 3 1032.7869548  595161404681851 3    681652 3      C-13-H3C(O)CH3
  431591.8542  0.0418 -5.9900 3 1032.7869548  595161404681751 3    681652 3      C-13-H3C(O)CH3
  431591.8542  0.0418 -5.4067 3 1032.7869548  595161404681751 3    681752 3      C-13-H3C(O)CH3
  431592.0497  0.0419 -5.4027 3 1032.7869548  595161404681851 4    681652 4      C-13-H3C(O)CH3
  431592.0497  0.0419 -5.4027 3 1032.7869548  595161404681751 4    681752 4      C-13-H3C(O)CH3
  431618.2332  0.0658 -5.9433 3  655.3669792  595161404492821 1    483118 1      C-13-H3C(O)CH3
  431627.3728  0.0085 -5.2929 3   50.3207280  59516140417 314 2    16 215 2      C-13-H3C(O)CH3
  431627.3728  0.0085 -5.2929 3   50.3207280  59516140417 414 2    16 115 2      C-13-H3C(O)CH3
  431631.5099  0.0084 -5.2932 3   50.3212280  59516140417 314 1    16 215 1      C-13-H3C(O)CH3
  431631.5099  0.0084 -5.2932 3   50.3212280  59516140417 414 1    16 115 1      C-13-H3C(O)CH3
  431647.3390  0.0523 -5.8612 3  694.6383808  595161404503219 2    502922 2      C-13-H3C(O)CH3
  431706.2544  0.0102 -6.2371 3  374.0122600  595161404372315 2    362413 2      C-13-H3C(O)CH3
  431730.8994  0.0268 -5.8725 3  668.8753760  5951614044739 8 1    4640 6 1      C-13-H3C(O)CH3
  431749.5521  0.0823 -5.9473 3  713.7333824  595161404513021 1    512724 1      C-13-H3C(O)CH3
  431749.7099  0.0160 -4.3966 3  295.2764536  595161404332013 1    322112 1      C-13-H3C(O)CH3
  431767.6634  0.0348 -5.5064 3  423.6515316  595161404392614 3    382711 3      C-13-H3C(O)CH3
  431781.9023  0.0116 -6.4130 3  373.9889300  595161404372315 4    362413 4      C-13-H3C(O)CH3
  431829.9747  0.0217 -5.1975 3  423.6616632  595161404392614 1    382711 1      C-13-H3C(O)CH3
  431851.9092  0.0263 -5.8716 3  668.8470760  5951614044739 9 0    4640 7 0      C-13-H3C(O)CH3
  431851.9092  0.0263 -5.8716 3  668.8470760  5951614044739 8 0    4640 6 0      C-13-H3C(O)CH3
  431888.2244  0.0327 -6.1744 3  668.8896380  5951614044739 8 4    4640 6 4      C-13-H3C(O)CH3
  431894.1356  0.0355 -6.1732 3  694.6308404  595161404503219 4    502922 4      C-13-H3C(O)CH3
  431914.9511  0.0879 -6.2875 3 1553.2502644  595161404802952 4    802853 4      C-13-H3C(O)CH3
  431914.9511  0.0879 -6.2875 3 1553.2502644  595161404802852 4    802753 4      C-13-H3C(O)CH3
  431914.9725  0.0879 -6.3642 3 1553.2502644  595161404802852 3    802853 3      C-13-H3C(O)CH3
  431914.9725  0.0879 -6.3642 3 1553.2502644  595161404802952 3    802753 3      C-13-H3C(O)CH3
  431922.5586  0.0083 -6.5834 3  194.0718228  595161404281216 4    28 919 4      C-13-H3C(O)CH3
  431922.7160  0.0069 -6.5834 3  194.0718228  595161404281216 3    28 919 3      C-13-H3C(O)CH3
  431925.9512  0.0083 -6.5834 3  194.0718228  595161404281316 4    281019 4      C-13-H3C(O)CH3
  431926.1256  0.0069 -6.5834 3  194.0718228  595161404281316 3    281019 3      C-13-H3C(O)CH3
  431929.5904  0.0134 -4.8267 3  423.6774632  595161404392614 0    382711 0      C-13-H3C(O)CH3
  431942.9897  0.0946 -5.9818 3 1553.2294C88  595161404802952 1    802753 1      C-13-H3C(O)CH3
  431942.9897  0.0946 -5.9818 3 1553.2294C88  595161404802852 1    802853 1      C-13-H3C(O)CH3
  431947.0625  0.0947 -6.0186 3 1553.2322C88  595161404802952 2    802853 2      C-13-H3C(O)CH3
  431947.0625  0.0947 -6.0186 3 1553.2322C88  595161404802852 2    802753 2      C-13-H3C(O)CH3
  431962.4589  0.0405 -5.0424 3  991.9621A80  595161404671651 0    671652 0      C-13-H3C(O)CH3
  431962.4589  0.0405 -5.0424 3  991.9621A80  595161404671751 0    671552 0      C-13-H3C(O)CH3
  431962.9218  0.1074 -6.6193 3  646.1075388  595161404483216 4    482920 4      C-13-H3C(O)CH3
  431975.0865  0.1016 -6.0270 3 1553.2114C88  595161404802952 0    802853 0      C-13-H3C(O)CH3
  431975.0865  0.1016 -6.0270 3 1553.2114C88  595161404802852 0    802753 0      C-13-H3C(O)CH3
  432001.8722  0.0307 -5.8721 3  668.8354760  5951614044739 9 1    4640 7 1      C-13-H3C(O)CH3
  432007.7917  0.0272 -5.8724 3  668.8614760  5951614044739 8 2    4640 6 2      C-13-H3C(O)CH3
  432068.1692  0.0485 -5.3946 3  991.9560A80  595161404671751 1    671552 1      C-13-H3C(O)CH3
  432068.1692  0.0485 -5.2937 3  991.9560A80  595161404671751 1    671652 1      C-13-H3C(O)CH3
  432068.1692  0.0485 -5.2937 3  991.9560A80  595161404671651 1    671552 1      C-13-H3C(O)CH3
  432068.1692  0.0485 -5.3946 3  991.9560A80  595161404671651 1    671652 1      C-13-H3C(O)CH3
  432070.0901  0.0489 -5.0821 3  991.9559A80  595161404671751 2    671552 2      C-13-H3C(O)CH3
  432070.0901  0.0489 -5.0821 3  991.9559A80  595161404671651 2    671652 2      C-13-H3C(O)CH3
  432070.0901  0.0489 -6.0774 3  991.9559A80  595161404671651 2    671552 2      C-13-H3C(O)CH3
  432070.0901  0.0489 -6.0774 3  991.9559A80  595161404671751 2    671652 2      C-13-H3C(O)CH3
  432074.3531  0.0085 -5.2916 3   50.2572280  59516140417 314 0    16 215 0      C-13-H3C(O)CH3
  432074.3532  0.0085 -5.2916 3   50.2572280  59516140417 414 0    16 115 0      C-13-H3C(O)CH3
  432107.6907  0.0327 -6.1732 3  668.8690380  5951614044739 8 3    4640 6 3      C-13-H3C(O)CH3
  432113.2090  0.0168 -4.9614 3  423.6546632  595161404392614 2    382712 2      C-13-H3C(O)CH3
  432118.2632  0.0068 -6.2813 3  194.0748456  595161404281216 2    28 919 2      C-13-H3C(O)CH3
  432121.7493  0.0068 -6.2813 3  194.0748456  595161404281316 2    281019 2      C-13-H3C(O)CH3
  432129.3912  0.0211 -5.3622 3  423.6394316  595161404392614 3    382712 3      C-13-H3C(O)CH3
  432135.0017  0.2907 -6.2436 3  879.6255904  595161404563719 1    563422 1      C-13-H3C(O)CH3
  432158.7447  0.0351 -6.1739 3  668.8499380  5951614044739 9 3    4640 7 3      C-13-H3C(O)CH3
  432159.3412  0.0068 -6.2806 3  194.0763456  595161404281216 1    28 919 1      C-13-H3C(O)CH3
  432162.3030  0.0776 -5.9324 3  655.3660792  595161404492821 0    483118 0      C-13-H3C(O)CH3
  432162.6782  0.0068 -6.2806 3  194.0763456  595161404281316 1    281019 1      C-13-H3C(O)CH3
  432175.9324  0.0391 -6.2910 3  991.9498540  595161404671751 3    671652 3      C-13-H3C(O)CH3
  432175.9324  0.0391 -6.5407 3  991.9498540  595161404671651 3    671552 3      C-13-H3C(O)CH3
  432175.9324  0.0391 -5.3927 3  991.9498540  595161404671751 3    671552 3      C-13-H3C(O)CH3
  432175.9324  0.0391 -5.3693 3  991.9498540  595161404671651 3    671652 3      C-13-H3C(O)CH3
  432176.1275  0.0391 -5.3707 3  991.9498540  595161404671751 4    671552 4      C-13-H3C(O)CH3
  432176.1275  0.0391 -6.5202 3  991.9498540  595161404671751 4    671652 4      C-13-H3C(O)CH3
  432176.1275  0.0391 -5.3707 3  991.9498540  595161404671651 4    671652 4      C-13-H3C(O)CH3
  432176.1275  0.0391 -6.5202 3  991.9498540  595161404671651 4    671552 4      C-13-H3C(O)CH3
  432178.3297  0.0536 -6.1574 3  694.6310404  595161404503219 3    502922 3      C-13-H3C(O)CH3
  432196.8737  0.0880 -5.9487 3  713.7399824  595161404513021 0    512724 0      C-13-H3C(O)CH3
  432210.2988  0.0196 -5.2543 3  534.7469696  595161404433212 0    4233 9 0      C-13-H3C(O)CH3
  432210.8695  0.0196 -5.2543 3  534.7469696  595161404433211 0    423310 0      C-13-H3C(O)CH3
  432227.6803  0.0282 -5.8713 3  668.8407760  5951614044739 9 2    4640 7 2      C-13-H3C(O)CH3
  432249.3345  0.0152 -5.0672 3  423.6477632  595161404392614 1    382712 1      C-13-H3C(O)CH3
  432292.8955  0.0191 -5.2143 3  423.6256316  595161404392614 4    382712 4      C-13-H3C(O)CH3
  432314.0684  0.0197 -5.2536 3  534.7389696  595161404433212 2    423310 2      C-13-H3C(O)CH3
  432339.1040  0.0213 -5.2546 3  534.7502696  595161404433211 1    4233 9 1      C-13-H3C(O)CH3
  432354.5271  0.0064 -6.2790 3  194.0794456  595161404281216 0    28 919 0      C-13-H3C(O)CH3
  432354.6293  0.0339 -5.7193 3  593.6817760  595161404472622 0    462719 0      C-13-H3C(O)CH3
  432357.9432  0.0064 -6.2790 3  194.0794456  595161404281316 0    281019 0      C-13-H3C(O)CH3
  432376.9106  0.0368 -6.1727 3  668.8292380  5951614044739 9 4    4640 7 4      C-13-H3C(O)CH3
  432405.3225  0.0198 -5.2541 3  534.7206696  595161404433212 1    423310 1      C-13-H3C(O)CH3
  432427.4764  0.4791 -6.2637 3  879.6230904  595161404563719 2    563422 2      C-13-H3C(O)CH3
  432440.4530  0.0226 -5.5550 3  534.7422348  595161404433212 3    4233 9 3      C-13-H3C(O)CH3
  432507.8224  0.0211 -5.5545 3  534.7125348  595161404433212 4    423310 4      C-13-H3C(O)CH3
  432511.2418  0.0211 -5.2540 3  534.7608696  595161404433211 2    4233 9 2      C-13-H3C(O)CH3
  432512.8562  0.0353 -5.3478 3  951.7146A64  595161404661651 0    661552 0      C-13-H3C(O)CH3
  432512.8562  0.0353 -5.2264 3  951.7146A64  595161404661651 0    661452 0      C-13-H3C(O)CH3
  432512.8562  0.0353 -5.2264 3  951.7146A64  595161404661551 0    661552 0      C-13-H3C(O)CH3
  432512.8562  0.0353 -5.3478 3  951.7146A64  595161404661551 0    661452 0      C-13-H3C(O)CH3
  432530.2831  0.0025 -3.8858 3  312.0091332 -59516140441 537 3    40 536 3      C-13-H3C(O)CH3
  432530.2831  0.0025 -3.6319 3  312.0092332 -59516140441 537 4    40 436 4      C-13-H3C(O)CH3
  432530.2831  0.0025 -3.8858 3  312.0091332 -59516140441 437 3    40 436 3      C-13-H3C(O)CH3
  432530.2831  0.0025 -3.6319 3  312.0092332 -59516140441 437 4    40 536 4      C-13-H3C(O)CH3
  432530.3472  0.0025 -5.9416 3  312.0092332  59516140441 437 4    40 436 4      C-13-H3C(O)CH3
  432530.3472  0.0025 -5.9416 3  312.0092332  59516140441 537 4    40 536 4      C-13-H3C(O)CH3
  432530.3627  0.0025 -3.9810 3  312.0091332  59516140441 437 3    40 536 3      C-13-H3C(O)CH3
  432530.3627  0.0025 -3.9810 3  312.0091332  59516140441 537 3    40 436 3      C-13-H3C(O)CH3
  432568.8717  0.0030 -3.3657 3  312.0029664 -59516140441 537 1    40 436 1      C-13-H3C(O)CH3
  432568.8717  0.0030 -4.4159 3  312.0029664 -59516140441 437 1    40 436 1      C-13-H3C(O)CH3
  432569.0110  0.0030 -4.4159 3  312.0029664  59516140441 537 1    40 536 1      C-13-H3C(O)CH3
  432569.0110  0.0030 -3.3657 3  312.0029664  59516140441 437 1    40 536 1      C-13-H3C(O)CH3
  432569.2632  0.0030 -5.7643 3  312.0024664  59516140441 537 2    40 536 2      C-13-H3C(O)CH3
  432569.2632  0.0030 -3.3303 3  312.0024664  59516140441 437 2    40 536 2      C-13-H3C(O)CH3
  432569.3528  0.0030 -5.7643 3  312.0024664 -59516140441 437 2    40 436 2      C-13-H3C(O)CH3
  432569.3528  0.0030 -3.3303 3  312.0024664 -59516140441 537 2    40 436 2      C-13-H3C(O)CH3
  432607.7831  0.0024 -3.4855 3  311.9962664 -59516140441 437 0    40 536 0      C-13-H3C(O)CH3
  432607.7831  0.0024 -3.4855 3  311.9962664 -59516140441 537 0    40 436 0      C-13-H3C(O)CH3
  432607.8311  0.0024 -3.8470 3  311.9962664  59516140441 437 0    40 436 0      C-13-H3C(O)CH3
  432607.8311  0.0024 -3.8470 3  311.9962664  59516140441 537 0    40 536 0      C-13-H3C(O)CH3
  432611.4144  0.0285 -6.1660 3  502.7300680  595161404423013 1    422716 1      C-13-H3C(O)CH3
  432623.4086  0.0422 -5.4166 3  951.7036A64  595161404661651 1    661552 1      C-13-H3C(O)CH3
  432623.4086  0.0422 -5.1803 3  951.7036A64  595161404661651 1    661452 1      C-13-H3C(O)CH3
  432623.4086  0.0422 -5.4166 3  951.7036A64  595161404661551 1    661452 1      C-13-H3C(O)CH3
  432623.4086  0.0422 -5.1803 3  951.7036A64  595161404661551 1    661552 1      C-13-H3C(O)CH3
  432624.7061  0.0423 -5.4643 3  951.7034A64  595161404661651 2    661452 2      C-13-H3C(O)CH3
  432624.7061  0.0423 -5.4643 3  951.7034A64  595161404661551 2    661552 2      C-13-H3C(O)CH3
  432624.7061  0.0423 -5.1549 3  951.7034A64  595161404661651 2    661552 2      C-13-H3C(O)CH3
  432624.7061  0.0423 -5.1549 3  951.7034A64  595161404661551 2    661452 2      C-13-H3C(O)CH3
  432636.7457  0.0311 -5.7169 3  593.6586760  595161404472622 1    462719 1      C-13-H3C(O)CH3
  432638.7016  0.0256 -5.5553 3  534.7641348  595161404433211 4    4233 9 4      C-13-H3C(O)CH3
  432659.3698  0.0152 -4.2651 3  276.2186520  595161404321913 2    312012 2      C-13-H3C(O)CH3
  432690.1817  0.0372 -6.4146 3  502.7149340  595161404423013 4    422716 4      C-13-H3C(O)CH3
  432696.1344  0.0233 -4.6223 3  156.6238196  5951614042417 8 4    2316 7 4      C-13-H3C(O)CH3
  432703.8981  0.0218 -5.5549 3  534.7345348  595161404433211 3    423310 3      C-13-H3C(O)CH3
  432735.3918  0.0364 -5.5265 3  951.6924532  595161404661551 3    661552 3      C-13-H3C(O)CH3
  432735.3918  0.0364 -5.6486 3  951.6924532  595161404661651 3    661552 3      C-13-H3C(O)CH3
  432735.3918  0.0364 -5.6486 3  951.6924532  595161404661551 3    661452 3      C-13-H3C(O)CH3
  432735.3918  0.0364 -5.5265 3  951.6924532  595161404661651 3    661452 3      C-13-H3C(O)CH3
  432735.5758  0.0365 -5.8685 3  951.6923532  595161404661551 4    661552 4      C-13-H3C(O)CH3
  432735.5758  0.0365 -5.4126 3  951.6923532  595161404661551 4    661452 4      C-13-H3C(O)CH3
  432735.5758  0.0365 -5.4126 3  951.6923532  595161404661651 4    661552 4      C-13-H3C(O)CH3
  432735.5758  0.0365 -5.8685 3  951.6923532  595161404661651 4    661452 4      C-13-H3C(O)CH3
  432755.6249  0.0219 -6.6310 3  322.9917268  5951614043327 7 3    3324 9 3      C-13-H3C(O)CH3
  432794.3252  0.0809 -6.2159 3 1505.5116636  595161404792852 4    792653 4      C-13-H3C(O)CH3
  432794.3252  0.0809 -6.2159 3 1505.5116636  595161404792752 4    792753 4      C-13-H3C(O)CH3
  432794.3292  0.0809 -6.6487 3 1505.5115636  595161404792852 3    792753 3      C-13-H3C(O)CH3
  432794.3292  0.0809 -6.3856 3 1505.5115636  595161404792852 3    792653 3      C-13-H3C(O)CH3
  432794.3292  0.0809 -6.3856 3 1505.5115636  595161404792752 3    792753 3      C-13-H3C(O)CH3
  432794.3292  0.0809 -6.6487 3 1505.5115636  595161404792752 3    792653 3      C-13-H3C(O)CH3
  432814.3401  0.0846 -5.8957 3 1505.4897C72  595161404792752 1    792653 1      C-13-H3C(O)CH3
  432814.3401  0.0846 -5.8957 3 1505.4897C72  595161404792852 1    792753 1      C-13-H3C(O)CH3
  432819.2901  0.0869 -5.9063 3 1505.4922C72  595161404792752 2    792753 2      C-13-H3C(O)CH3
  432819.2901  0.0869 -5.9063 3 1505.4922C72  595161404792852 2    792653 2      C-13-H3C(O)CH3
  432839.3199  0.0903 -5.9459 3 1505.4704C72  595161404792752 0    792653 0      C-13-H3C(O)CH3
  432839.3199  0.0903 -5.9459 3 1505.4704C72  595161404792852 0    792753 0      C-13-H3C(O)CH3
  432841.6325  0.0118 -5.8113 3   74.7574140  5951614041713 5 4    1610 7 4      C-13-H3C(O)CH3
  432858.9713  0.0024 -3.9099 3  257.8369260  595161404321418 4    311517 4      C-13-H3C(O)CH3
  432859.1638  0.0023 -3.9099 3  257.8369260  595161404321418 3    311517 3      C-13-H3C(O)CH3
  432860.4954  0.0270 -5.9135 3  502.7436680  595161404423013 0    422716 0      C-13-H3C(O)CH3
  432868.8051  0.0024 -3.9099 3  257.8366260  595161404321518 4    311417 4      C-13-H3C(O)CH3
  432869.0355  0.0023 -3.9099 3  257.8366260  595161404321518 3    311417 3      C-13-H3C(O)CH3
  432869.8240  0.0133 -4.2645 3  276.2390520  595161404321913 0    312012 0      C-13-H3C(O)CH3
  432883.9920  0.0326 -6.1431 3  502.7309680  595161404423013 2    422716 2      C-13-H3C(O)CH3
  432884.8087  0.0248 -6.6471 3  322.9878268  5951614043327 7 4    3324 9 4      C-13-H3C(O)CH3
  432890.7492  0.0023 -3.9746 3  247.7318252  595161404311516 3    301615 3      C-13-H3C(O)CH3
  432890.8114  0.0022 -3.9746 3  247.7318252  595161404311516 4    301615 4      C-13-H3C(O)CH3
  432905.8672  0.0026 -3.6089 3  257.8581520 -595161404321418 1    311517 1      C-13-H3C(O)CH3
  432915.3224  0.0026 -3.6089 3  257.8578520 -595161404321518 1    311417 1      C-13-H3C(O)CH3
  432915.3224  0.0025 -3.6090 3  257.8547520 -595161404321418 2    311517 2      C-13-H3C(O)CH3
  432925.2141  0.0025 -3.6090 3  257.8544520 -595161404321518 2    311417 2      C-13-H3C(O)CH3
  432925.7491  0.0616 -5.7138 3  593.6459760  595161404472622 2    462719 2      C-13-H3C(O)CH3
  432946.5675  0.0459 -6.3068 3  599.7595744  595161404463215 1    462917 1      C-13-H3C(O)CH3
  432946.8467  0.0024 -3.6736 3  247.7520504 -595161404311516 1    301615 1      C-13-H3C(O)CH3
  432950.8467  0.0183 -4.5641 3  276.1987260  595161404321913 3    312012 3      C-13-H3C(O)CH3
  432952.8343  0.0191 -4.5639 3  276.1986260  595161404321913 4    312012 4      C-13-H3C(O)CH3
  432957.9241  0.0024 -3.6738 3  247.7473504 -595161404311516 2    301615 2      C-13-H3C(O)CH3
  432961.6482  0.0022 -3.6090 3  257.8758520 -595161404321418 0    311517 0      C-13-H3C(O)CH3
  432971.4024  0.0022 -3.6090 3  257.8756520 -595161404321518 0    311417 0      C-13-H3C(O)CH3
  432994.7462  0.0445 -5.9474 3  599.7696744  595161404463214 0    462917 0      C-13-H3C(O)CH3
  433014.0561  0.0022 -3.6738 3  247.7676504 -595161404311516 0    301615 0      C-13-H3C(O)CH3
  433046.8861  0.0301 -5.4729 3  912.0478A48  595161404651551 0    651452 0      C-13-H3C(O)CH3
  433046.8861  0.0301 -5.0714 3  912.0478A48  595161404651551 0    651352 0      C-13-H3C(O)CH3
  433046.8861  0.0301 -5.0714 3  912.0478A48  595161404651451 0    651452 0      C-13-H3C(O)CH3
  433046.8861  0.0301 -5.4729 3  912.0478A48  595161404651451 0    651352 0      C-13-H3C(O)CH3
  433075.2569  0.0132 -5.7938 3  455.3581664  595161404412418 0    412121 0      C-13-H3C(O)CH3
  433111.5906  0.0204 -6.3337 3  323.0098536  5951614043327 7 1    3324 9 1      C-13-H3C(O)CH3
  433123.2614  0.0157 -5.7936 3  455.3312664  595161404412418 2    412121 2      C-13-H3C(O)CH3
  433139.5576  0.1963 -6.0925 3  819.3411872  595161404543618 0    543321 0      C-13-H3C(O)CH3
  433140.3213  0.0246 -6.6408 3  322.9842268  5951614043327 6 4    332410 4      C-13-H3C(O)CH3
  433153.8342  0.0150 -4.2624 3  276.2192520  595161404321913 1    312012 1      C-13-H3C(O)CH3
  433158.1984  0.0360 -5.8654 3  912.0318A48  595161404651551 1    651452 1      C-13-H3C(O)CH3
  433158.1984  0.0360 -5.8654 3  912.0318A48  595161404651451 1    651352 1      C-13-H3C(O)CH3
  433158.1984  0.0360 -4.9790 3  912.0318A48  595161404651551 1    651352 1      C-13-H3C(O)CH3
  433158.1984  0.0360 -4.9790 3  912.0318A48  595161404651451 1    651452 1      C-13-H3C(O)CH3
  433158.9605  0.0358 -4.9360 3  912.0316A48  595161404651551 2    651352 2      C-13-H3C(O)CH3
  433158.9605  0.0358 -4.9360 3  912.0316A48  595161404651451 2    651452 2      C-13-H3C(O)CH3
  433158.9605  0.0358 -6.5657 3  912.0316A48  595161404651451 2    651352 2      C-13-H3C(O)CH3
  433158.9605  0.0358 -6.5657 3  912.0316A48  595161404651551 2    651452 2      C-13-H3C(O)CH3
  433179.5497  0.0142 -5.7934 3  455.3346664  595161404412418 1    412121 1      C-13-H3C(O)CH3
  433191.3985  0.0695 -6.6441 3  599.7482372  595161404463215 4    462917 4      C-13-H3C(O)CH3
  433195.4110  0.0319 -6.1858 3  674.8645404  595161404502723 3    493020 3      C-13-H3C(O)CH3
  433199.9972  0.0624 -6.0125 3  593.6230380  595161404472622 4    462719 4      C-13-H3C(O)CH3
  433212.1553  0.0622 -6.0125 3  593.6226380  595161404472622 3    462719 3      C-13-H3C(O)CH3
  433226.3364  0.0162 -6.0942 3  455.3076332  595161404412418 4    412121 4      C-13-H3C(O)CH3
  433229.5877  0.0160 -6.0941 3  455.3076332  595161404412418 3    412121 3      C-13-H3C(O)CH3
  433232.1351  0.3217 -6.6440 3  801.5898872  595161404543222 2    533519 2      C-13-H3C(O)CH3
  433233.1736  0.0299 -6.1859 3  674.8632404  595161404502723 4    493020 4      C-13-H3C(O)CH3
  433270.0106  0.0656 -6.3177 3  599.7564744  595161404463215 2    462917 2      C-13-H3C(O)CH3
  433270.4035  0.0338 -5.2853 3  912.0157524  595161404651551 3    651452 3      C-13-H3C(O)CH3
  433270.4035  0.0338 -6.1250 3  912.0157524  595161404651551 3    651352 3      C-13-H3C(O)CH3
  433270.4035  0.0338 -5.2853 3  912.0157524  595161404651451 3    651352 3      C-13-H3C(O)CH3
  433270.4035  0.0338 -6.1250 3  912.0157524  595161404651451 3    651452 3      C-13-H3C(O)CH3
  433270.5632  0.0339 -5.9344 3  912.0156524  595161404651551 4    651452 4      C-13-H3C(O)CH3
  433270.5632  0.0339 -5.3214 3  912.0156524  595161404651551 4    651352 4      C-13-H3C(O)CH3
  433270.5632  0.0339 -5.9344 3  912.0156524  595161404651451 4    651352 4      C-13-H3C(O)CH3
  433270.5632  0.0339 -5.3214 3  912.0156524  595161404651451 4    651452 4      C-13-H3C(O)CH3
  433271.0094  0.0224 -6.6326 3  322.9803268  5951614043327 6 3    332410 3      C-13-H3C(O)CH3
  433274.9148  0.0025 -3.8624 3  267.2790268 -595161404331320 4    321419 4      C-13-H3C(O)CH3
  433274.9148  0.0025 -3.8624 3  267.2790268 -595161404331420 4    321319 4      C-13-H3C(O)CH3
  433274.9148  0.0025 -3.8624 3  267.2790268 -595161404331320 3    321419 3      C-13-H3C(O)CH3
  433275.0774  0.0025 -3.8624 3  267.2790268  595161404331420 3    321319 3      C-13-H3C(O)CH3
  433310.9971  0.0206 -6.3395 3  323.0206536  5951614043327 7 2    3324 9 2      C-13-H3C(O)CH3
  433316.7967  0.0022 -3.9736 3  247.7206252  595161404311616 4    301515 4      C-13-H3C(O)CH3
  433317.5105  0.0027 -3.5614 3  267.3005536 -595161404331320 1    321419 1      C-13-H3C(O)CH3
  433317.5105  0.0027 -3.5614 3  267.3005536 -595161404331420 1    321319 1      C-13-H3C(O)CH3
  433317.8200  0.0022 -3.9736 3  247.7206252  595161404311616 3    301515 3      C-13-H3C(O)CH3
  433323.4637  0.0027 -3.5615 3  267.2980536 -595161404331420 2    321319 2      C-13-H3C(O)CH3
  433323.4637  0.0027 -3.5615 3  267.2980536 -595161404331320 2    321419 2      C-13-H3C(O)CH3
  433324.5937  0.0396 -6.4606 3  502.7194340  595161404423013 3    422716 3      C-13-H3C(O)CH3
  433351.7286  0.0183 -4.9588 3  423.6805632  595161404392613 2    382711 2      C-13-H3C(O)CH3
  433358.4356  0.0379 -5.8845 3  674.8682808  595161404502723 2    493020 2      C-13-H3C(O)CH3
  433365.8681  0.0023 -3.5615 3  267.3195536 -595161404331320 0    321419 0      C-13-H3C(O)CH3
  433365.8681  0.0023 -3.5615 3  267.3195536 -595161404331420 0    321319 0      C-13-H3C(O)CH3
  433367.7054  0.0024 -3.6726 3  247.7410504 -595161404311616 1    301515 1      C-13-H3C(O)CH3
  433374.9420  0.0135 -6.3657 3   61.6808124  5951614041514 2 4    1411 4 4      C-13-H3C(O)CH3
  433378.9126  0.0334 -6.2685 3  502.7300680  595161404423012 1    422716 1      C-13-H3C(O)CH3
  433387.2499  0.0375 -5.8854 3  674.8698808  595161404502723 1    493020 1      C-13-H3C(O)CH3
  433391.9747  0.0024 -3.6728 3  247.7359504 -595161404311616 2    301515 2      C-13-H3C(O)CH3
  433411.7492  0.0179 -5.2124 3  423.6653316  595161404392613 4    382711 4      C-13-H3C(O)CH3
  433441.6886  0.0022 -3.6728 3  247.7563504 -595161404311616 0    301515 0      C-13-H3C(O)CH3
  433449.2546  0.2074 -6.6179 3  801.5876872  595161404543222 1    533519 1      C-13-H3C(O)CH3
  433453.1368  0.0200 -6.3434 3  323.0164536  5951614043327 6 2    332410 2      C-13-H3C(O)CH3
  433491.4467  0.0207 -6.3313 3  323.0024536  5951614043327 6 1    332410 1      C-13-H3C(O)CH3
  433528.8537  0.0392 -5.8851 3  674.8741808  595161404502723 0    493020 0      C-13-H3C(O)CH3
  433530.7193  0.4202 -6.4557 3  879.6072452  595161404563719 3    563422 3      C-13-H3C(O)CH3
  433566.5470  0.0253 -5.7563 3  872.9621A32  595161404641351 0    641352 0      C-13-H3C(O)CH3
  433566.5470  0.0253 -5.4821 3  872.9621A32  595161404641451 0    641252 0      C-13-H3C(O)CH3
  433566.5470  0.0253 -4.9970 3  872.9621A32  595161404641451 0    641352 0      C-13-H3C(O)CH3
  433566.5470  0.0253 -4.9351 3  872.9621A32  595161404641351 0    641252 0      C-13-H3C(O)CH3
  433574.3957  0.0264 -5.6716 3  631.7859744  5951614044637 9 1    4538 7 1      C-13-H3C(O)CH3
  433577.7663  0.0228 -5.3586 3  423.6515316  595161404392613 3    382711 3      C-13-H3C(O)CH3
  433580.9958  0.0139 -6.4504 3   61.7568124  5951614041514 1 3    1411 3 3      C-13-H3C(O)CH3
  433584.1676  0.0472 -6.5807 3  502.7194340  595161404423012 3    422716 3      C-13-H3C(O)CH3
  433600.7976  0.0258 -5.6709 3  631.7653744  595161404463710 0    4538 7 0      C-13-H3C(O)CH3
  433600.7977  0.0258 -5.6709 3  631.7653744  5951614044637 9 0    4538 8 0      C-13-H3C(O)CH3
  433633.9843  0.0024 -3.7262 3  315.8071340  59516140442 439 3    41 338 3      C-13-H3C(O)CH3
  433633.9843  0.0024 -3.7262 3  315.8071340  59516140442 339 3    41 438 3      C-13-H3C(O)CH3
  433633.9852  0.0024 -4.9316 3  315.8071340  59516140442 339 4    41 338 4      C-13-H3C(O)CH3
  433633.9852  0.0024 -4.9316 3  315.8071340  59516140442 439 4    41 438 4      C-13-H3C(O)CH3
  433633.9911  0.0024 -3.6306 3  315.8071340 -59516140442 439 4    41 338 4      C-13-H3C(O)CH3
  433633.9911  0.0024 -3.6306 3  315.8071340 -59516140442 339 4    41 438 4      C-13-H3C(O)CH3
  433633.9911  0.0024 -4.2366 3  315.8071340 -59516140442 439 3    41 438 3      C-13-H3C(O)CH3
  433633.9911  0.0024 -4.2366 3  315.8071340 -59516140442 339 3    41 338 3      C-13-H3C(O)CH3
  433640.1826  0.0169 -5.0644 3  423.6616632  595161404392613 1    382711 1      C-13-H3C(O)CH3
  433642.6002  0.0753 -6.2246 3 1458.3405628  595161404782652 3    782553 3      C-13-H3C(O)CH3
  433642.6002  0.0753 -6.2246 3 1458.3405628  595161404782752 3    782653 3      C-13-H3C(O)CH3
  433642.6153  0.0753 -6.2351 3 1458.3405628  595161404782652 4    782553 4      C-13-H3C(O)CH3
  433642.6153  0.0753 -6.2351 3 1458.3405628  595161404782752 4    782653 4      C-13-H3C(O)CH3
  433650.4361  0.1792 -6.6267 3  819.3275872  595161404543619 1    543321 1      C-13-H3C(O)CH3
  433653.2983  0.0788 -5.8109 3 1458.3182C56  595161404782752 1    782653 1      C-13-H3C(O)CH3
  433653.2983  0.0788 -5.8109 3 1458.3182C56  595161404782652 1    782553 1      C-13-H3C(O)CH3
  433656.6159  0.0206 -6.3317 3  323.0389536  5951614043327 6 0    3324 9 0      C-13-H3C(O)CH3
  433658.8906  0.0825 -5.8312 3 1458.3203C56  595161404782752 2    782553 2      C-13-H3C(O)CH3
  433658.8906  0.0825 -5.8312 3 1458.3203C56  595161404782652 2    782653 2      C-13-H3C(O)CH3
  433668.9775  0.0030 -3.3372 3  315.7910680  59516140442 439 1    41 338 1      C-13-H3C(O)CH3
  433668.9775  0.0030 -3.3372 3  315.7910680  59516140442 339 1    41 438 1      C-13-H3C(O)CH3
  433669.0695  0.0030 -3.5679 3  315.7906680 -59516140442 439 2    41 338 2      C-13-H3C(O)CH3
  433669.0695  0.0030 -3.5679 3  315.7906680 -59516140442 339 2    41 438 2      C-13-H3C(O)CH3
  433669.0695  0.0030 -4.4994 3  315.7910680 -59516140442 439 1    41 438 1      C-13-H3C(O)CH3
  433669.0695  0.0030 -4.4994 3  315.7910680 -59516140442 339 1    41 338 1      C-13-H3C(O)CH3
  433669.1184  0.0030 -3.6551 3  315.7906680  59516140442 339 2    41 338 2      C-13-H3C(O)CH3
  433669.1184  0.0030 -3.6551 3  315.7906680  59516140442 439 2    41 438 2      C-13-H3C(O)CH3
  433669.6198  0.0821 -6.1886 3 1458.2981C56  595161404782652 0    782553 0      C-13-H3C(O)CH3
  433669.6198  0.0821 -6.0465 3 1458.2981C56  595161404782752 0    782553 0      C-13-H3C(O)CH3
  433669.6198  0.0821 -6.0465 3 1458.2981C56  595161404782652 0    782653 0      C-13-H3C(O)CH3
  433669.6198  0.0821 -6.1886 3 1458.2981C56  595161404782752 0    782653 0      C-13-H3C(O)CH3
  433669.9667  0.0046 -3.5504 3  149.0105180 -5951614042221 1 4    2120 1 4      C-13-H3C(O)CH3
  433673.5702  0.0306 -5.2305 3  872.9416A32  595161404641351 1    641352 1      C-13-H3C(O)CH3
  433673.5702  0.0306 -5.2305 3  872.9416A32  595161404641451 1    641252 1      C-13-H3C(O)CH3
  433673.5702  0.0306 -5.1254 3  872.9416A32  595161404641451 1    641352 1      C-13-H3C(O)CH3
  433673.5702  0.0306 -5.1254 3  872.9416A32  595161404641351 1    641252 1      C-13-H3C(O)CH3
  433673.9089  0.0302 -5.0624 3  872.9413A32  595161404641451 2    641352 2      C-13-H3C(O)CH3
  433673.9089  0.0302 -5.3269 3  872.9413A32  595161404641451 2    641252 2      C-13-H3C(O)CH3
  433673.9089  0.0302 -5.3269 3  872.9413A32  595161404641351 2    641352 2      C-13-H3C(O)CH3
  433673.9089  0.0302 -5.0624 3  872.9413A32  595161404641351 2    641252 2      C-13-H3C(O)CH3
  433693.1977  0.0206 -6.3316 3  323.0377536  5951614043327 7 0    332410 0      C-13-H3C(O)CH3
  433704.0331  0.0024 -3.3119 3  315.7746680  59516140442 439 0    41 338 0      C-13-H3C(O)CH3
  433704.0331  0.0024 -5.3770 3  315.7746680  59516140442 339 0    41 338 0      C-13-H3C(O)CH3
  433704.0356  0.0024 -3.3119 3  315.7746680 -59516140442 339 0    41 438 0      C-13-H3C(O)CH3
  433704.0356  0.0024 -5.3770 3  315.7746680 -59516140442 439 0    41 438 0      C-13-H3C(O)CH3
  433720.5379  0.0140 -4.8224 3  423.6756632  595161404392613 0    382712 0      C-13-H3C(O)CH3
  433781.0558  0.0313 -5.1804 3  872.9207516  595161404641351 3    641352 3      C-13-H3C(O)CH3
  433781.0558  0.0313 -5.1804 3  872.9207516  595161404641451 3    641252 3      C-13-H3C(O)CH3
  433781.1758  0.0313 -5.2984 3  872.9207516  595161404641451 4    641352 4      C-13-H3C(O)CH3
  433781.1758  0.0313 -5.7797 3  872.9207516  595161404641451 4    641252 4      C-13-H3C(O)CH3
  433781.1758  0.0313 -5.2984 3  872.9207516  595161404641351 4    641252 4      C-13-H3C(O)CH3
  433781.1758  0.0313 -5.7797 3  872.9207516  595161404641351 4    641352 4      C-13-H3C(O)CH3
  433799.3506  0.0284 -5.6711 3  631.7485744  595161404463710 1    4538 8 1      C-13-H3C(O)CH3
  433824.2451  0.0138 -3.9843 3  156.6139392 -5951614042417 8 1    2316 7 1      C-13-H3C(O)CH3
  433827.4825  0.0308 -5.9731 3  631.7999372  5951614044637 9 4    4538 7 4      C-13-H3C(O)CH3
  433840.4416  0.0040 -3.5499 3  148.9478180 -5951614042221 2 3    2120 2 3      C-13-H3C(O)CH3
  433852.4196  0.0256 -5.6713 3  631.7794744  5951614044637 9 2    4538 7 2      C-13-H3C(O)CH3
  433859.3871  0.2672 -6.5823 3  819.3233872  595161404543619 2    543321 2      C-13-H3C(O)CH3
  433860.3125  0.0146 -6.4505 3   61.7444124  5951614041514 2 3    1411 4 3      C-13-H3C(O)CH3
  433891.1922  0.0536 -6.1969 3  599.7595744  595161404463214 1    462917 1      C-13-H3C(O)CH3
  433905.3205  0.0043 -3.5498 3  148.9554180 -5951614042221 1 3    2120 1 3      C-13-H3C(O)CH3
  433907.1251  0.0303 -5.9721 3  631.7813372  5951614044637 9 3    4538 7 3      C-13-H3C(O)CH3
  433911.4174  0.0464 -6.3040 3  502.7309680  595161404423012 2    422716 2      C-13-H3C(O)CH3
  433917.5554  0.0040 -3.2488 3  149.0173360 -5951614042221 1 1    2120 1 1      C-13-H3C(O)CH3
  433924.2141  0.0268 -6.4443 3  438.1263632  595161404392911 1    392613 1      C-13-H3C(O)CH3
  433933.5204  0.0261 -5.6703 3  631.7606744  595161404463710 2    4538 8 2      C-13-H3C(O)CH3
  433939.4940  0.0324 -5.5012 3  423.6394316  595161404392613 3    382712 3      C-13-H3C(O)CH3
  433940.9349  0.0040 -3.2488 3  149.0346360 -5951614042221 1 2    2120 1 2      C-13-H3C(O)CH3
  433978.3926  0.0026 -3.8240 3  276.1070276 -595161404341222 3    331321 3      C-13-H3C(O)CH3
  433978.3926  0.0026 -3.8240 3  276.1070276 -595161404341322 4    331221 4      C-13-H3C(O)CH3
  433978.3926  0.0026 -3.8240 3  276.1070276 -595161404341222 4    331321 4      C-13-H3C(O)CH3
  433978.3926  0.0026 -3.8240 3  276.1070276 -595161404341322 3    331221 3      C-13-H3C(O)CH3
  434018.6581  0.0029 -3.5230 3  276.1285552 -595161404341222 1    331321 1      C-13-H3C(O)CH3
  434018.6581  0.0029 -3.5230 3  276.1285552 -595161404341322 1    331221 1      C-13-H3C(O)CH3
  434022.7576  0.0028 -3.5231 3  276.1265552 -595161404341322 2    331221 2      C-13-H3C(O)CH3
  434022.7576  0.0028 -3.5231 3  276.1265552 -595161404341222 2    331321 2      C-13-H3C(O)CH3
  434051.0325  0.0316 -5.9725 3  631.7626372  595161404463710 3    4538 8 3      C-13-H3C(O)CH3
  434055.5883  0.0348 -6.6300 3  438.1356632  595161404392911 2    392613 2      C-13-H3C(O)CH3
  434059.5425  0.0190 -5.1917 3  423.6477632  595161404392613 1    382712 1      C-13-H3C(O)CH3
  434062.8264  0.0024 -3.5231 3  276.1479552 -595161404341222 0    331321 0      C-13-H3C(O)CH3
  434062.8264  0.0024 -3.5231 3  276.1479552 -595161404341322 0    331221 0      C-13-H3C(O)CH3
  434072.9501  0.0139 -6.3781 3   61.8204124  5951614041514 1 4    1411 3 4      C-13-H3C(O)CH3
  434073.9198  0.0210 -4.8578 3  834.4583A16  595161404631351 0    631252 0      C-13-H3C(O)CH3
  434073.9198  0.0210 -5.9720 3  834.4583A16  595161404631251 0    631252 0      C-13-H3C(O)CH3
  434073.9198  0.0210 -4.8578 3  834.4583A16  595161404631251 0    631152 0      C-13-H3C(O)CH3
  434073.9198  0.0210 -5.9720 3  834.4583A16  595161404631351 0    631152 0      C-13-H3C(O)CH3
  434075.2394  0.0042 -3.5493 3  148.8928180 -5951614042221 2 4    2120 2 4      C-13-H3C(O)CH3
  434104.0628  0.2202 -6.3282 3  801.5394436  595161404543222 3    542925 3      C-13-H3C(O)CH3
  434110.8877  0.0039 -3.2483 3  148.9718360 -5951614042221 2 2    2120 2 2      C-13-H3C(O)CH3
  434118.1037  0.2187 -6.3283 3  801.5394436  595161404543222 4    542925 4      C-13-H3C(O)CH3
  434127.9578  0.0306 -5.3916 3  423.6546632  595161404392613 2    382712 2      C-13-H3C(O)CH3
  434130.5783  0.0317 -5.9715 3  631.7438372  595161404463710 4    4538 8 4      C-13-H3C(O)CH3
  434152.4695  0.0039 -3.2482 3  148.9622360 -5951614042221 2 1    2120 2 1      C-13-H3C(O)CH3
  434170.5609  0.0265 -5.0791 3  834.4337A16  595161404631251 1    631152 1      C-13-H3C(O)CH3
  434170.5609  0.0265 -5.1793 3  834.4337A16  595161404631351 1    631152 1      C-13-H3C(O)CH3
  434170.5609  0.0265 -5.0791 3  834.4337A16  595161404631351 1    631252 1      C-13-H3C(O)CH3
  434170.5609  0.0265 -5.1793 3  834.4337A16  595161404631251 1    631252 1      C-13-H3C(O)CH3
  434170.6051  0.0259 -4.8259 3  834.4334A16  595161404631351 2    631152 2      C-13-H3C(O)CH3
  434170.6051  0.0259 -6.3428 3  834.4334A16  595161404631351 2    631252 2      C-13-H3C(O)CH3
  434170.6051  0.0259 -4.8387 3  834.4334A16  595161404631251 2    631252 2      C-13-H3C(O)CH3
  434188.7206  0.0039 -3.2482 3  149.0413360 -5951614042221 1 0    2120 2 0      C-13-H3C(O)CH3
  434188.7206  0.0039 -3.2482 3  149.0413360 -5951614042221 2 0    2120 1 0      C-13-H3C(O)CH3
  434208.7289  0.0129 -3.8460 3  156.6118392 -5951614042417 8 2    2316 7 2      C-13-H3C(O)CH3
  434232.8394  0.0093 -5.5595 3   74.7300280  5951614041713 5 1    1610 7 1      C-13-H3C(O)CH3
  434237.7306  0.0814 -6.6552 3  599.7447372  595161404463215 3    462917 3      C-13-H3C(O)CH3
  434241.5766  0.4986 -6.6215 3  879.6082452  595161404563719 4    563422 4      C-13-H3C(O)CH3
  434267.3571  0.0288 -5.6483 3  834.4087508  595161404631251 3    631152 3      C-13-H3C(O)CH3
  434267.3571  0.0288 -5.6483 3  834.4087508  595161404631351 3    631252 3      C-13-H3C(O)CH3
  434267.3571  0.0288 -5.2812 3  834.4087508  595161404631251 3    631252 3      C-13-H3C(O)CH3
  434267.3571  0.0288 -5.2812 3  834.4087508  595161404631351 3    631152 3      C-13-H3C(O)CH3
  434267.4202  0.0288 -5.3211 3  834.4087508  595161404631351 4    631152 4      C-13-H3C(O)CH3
  434267.4202  0.0288 -5.5675 3  834.4087508  595161404631251 4    631152 4      C-13-H3C(O)CH3
  434267.4202  0.0288 -5.3211 3  834.4087508  595161404631251 4    631252 4      C-13-H3C(O)CH3
  434267.4202  0.0288 -5.5675 3  834.4087508  595161404631351 4    631252 4      C-13-H3C(O)CH3
  434275.5642  0.0121 -6.0702 3   61.6870248  5951614041514 2 1    1411 4 1      C-13-H3C(O)CH3
  434347.2713  0.0241 -6.0027 3  438.1430632  595161404392910 0    392613 0      C-13-H3C(O)CH3
  434371.6726  0.0093 -3.9037 3  156.5992196  5951614042417 8 3    2316 7 3      C-13-H3C(O)CH3
  434387.0410  0.0112 -6.0725 3   61.6953248  5951614041514 2 2    1411 4 2      C-13-H3C(O)CH3
  434460.8663  0.0706 -6.0572 3 1411.7382620  595161404772652 3    772453 3      C-13-H3C(O)CH3
  434460.8663  0.0706 -6.0572 3 1411.7382620  595161404772552 3    772553 3      C-13-H3C(O)CH3
  434460.9023  0.0707 -6.0825 3 1411.7382620  595161404772652 4    772453 4      C-13-H3C(O)CH3
  434460.9023  0.0707 -6.2895 3 1411.7382620  595161404772552 4    772553 4      C-13-H3C(O)CH3
  434460.9023  0.0707 -6.3752 3 1411.7382620  595161404772652 4    772553 4      C-13-H3C(O)CH3
  434461.0274  0.0764 -5.7764 3 1411.7160C40  595161404772652 1    772553 1      C-13-H3C(O)CH3
  434461.0274  0.0764 -5.7764 3 1411.7160C40  595161404772552 1    772453 1      C-13-H3C(O)CH3
  434467.0239  0.0805 -5.7283 3 1411.7178C40  595161404772652 2    772453 2      C-13-H3C(O)CH3
  434467.0239  0.0805 -5.9308 3 1411.7178C40  595161404772652 2    772553 2      C-13-H3C(O)CH3
  434467.0239  0.0805 -6.1565 3 1411.7178C40  595161404772552 2    772553 2      C-13-H3C(O)CH3
  434467.2280  0.0767 -5.7299 3 1411.6956C40  595161404772652 0    772453 0      C-13-H3C(O)CH3
  434467.2280  0.0767 -5.8697 3 1411.6956C40  595161404772552 0    772553 0      C-13-H3C(O)CH3
  434467.2280  0.0767 -6.2836 3 1411.6956C40  595161404772552 0    772453 0      C-13-H3C(O)CH3
  434482.0974  0.0321 -6.4827 3  438.1141316  595161404392910 3    392613 3      C-13-H3C(O)CH3
  434487.4370  0.0555 -6.6513 3  502.7149340  595161404423012 4    422716 4      C-13-H3C(O)CH3
  434504.9357  0.0254 -6.1957 3  438.1263632  595161404392910 1    392613 1      C-13-H3C(O)CH3
  434508.0056  0.0843 -6.1905 3  599.7564744  595161404463214 2    462917 2      C-13-H3C(O)CH3
  434521.7176  0.2326 -6.5185 3  801.5731872  595161404543222 0    533519 0      C-13-H3C(O)CH3
  434526.4929  0.0485 -6.1233 3  650.6572396  595161404492722 3    483019 3      C-13-H3C(O)CH3
  434535.5897  0.0923 -6.4663 3  599.7447372  595161404463214 3    462917 3      C-13-H3C(O)CH3
  434537.5143  0.0116 -6.0762 3   61.7612248  5951614041514 1 1    1411 3 1      C-13-H3C(O)CH3
  434552.2103  0.2397 -6.5954 3 1888.7173E00  595161404873453 1    873454 1      C-13-H3C(O)CH3
  434552.2103  0.2397 -6.5991 3 1888.7173E00  595161404873553 1    873354 1      C-13-H3C(O)CH3
  434571.1645  0.0176 -4.7957 3  796.5369A00  595161404621251 0    621052 0      C-13-H3C(O)CH3
  434571.1645  0.0176 -6.2660 3  796.5369A00  595161404621251 0    621152 0      C-13-H3C(O)CH3
  434571.1645  0.0176 -4.7957 3  796.5369A00  595161404621151 0    621152 0      C-13-H3C(O)CH3
  434571.1645  0.0176 -6.2660 3  796.5369A00  595161404621151 0    621052 0      C-13-H3C(O)CH3
  434573.3792  0.0094 -5.5736 3   74.7285280  5951614041713 5 2    1610 7 2      C-13-H3C(O)CH3
  434603.0351  0.0374 -5.8563 3  423.6256316  595161404392613 4    382712 4      C-13-H3C(O)CH3
  434614.4503  0.0435 -6.1243 3  650.6543396  595161404492722 4    483019 4      C-13-H3C(O)CH3
  434618.8430  0.0094 -6.2961 3   74.7595140  5951614041713 5 3    1610 7 3      C-13-H3C(O)CH3
  434649.3162  0.0239 -5.8011 3  580.3345744  595161404462819 0    462522 0      C-13-H3C(O)CH3
  434650.0998  0.0236 -4.7813 3  796.5087A00  595161404621251 2    621052 2      C-13-H3C(O)CH3
  434650.0998  0.0236 -4.7813 3  796.5087A00  595161404621151 2    621152 2      C-13-H3C(O)CH3
  434650.2138  0.0241 -4.8791 3  796.5089A00  595161404621151 1    621152 1      C-13-H3C(O)CH3
  434650.2138  0.0241 -5.4753 3  796.5089A00  595161404621151 1    621052 1      C-13-H3C(O)CH3
  434650.2138  0.0241 -5.4753 3  796.5089A00  595161404621251 1    621152 1      C-13-H3C(O)CH3
  434650.2138  0.0241 -4.8791 3  796.5089A00  595161404621251 1    621052 1      C-13-H3C(O)CH3
  434702.5928  0.2087 -6.2444 3  819.3275872  595161404543618 1    543321 1      C-13-H3C(O)CH3
  434703.5504  0.2241 -6.0291 3  801.5408872  595161404543222 2    542925 2      C-13-H3C(O)CH3
  434729.2285  0.0263 -6.2576 3  796.4806500  595161404621151 4    621052 4      C-13-H3C(O)CH3
  434729.2285  0.0263 -5.1118 3  796.4806500  595161404621151 4    621152 4      C-13-H3C(O)CH3
  434729.2285  0.0263 -5.1118 3  796.4806500  595161404621251 4    621052 4      C-13-H3C(O)CH3
  434729.2285  0.0263 -6.2576 3  796.4806500  595161404621251 4    621152 4      C-13-H3C(O)CH3
  434729.2403  0.0264 -5.6475 3  796.4806500  595161404621151 3    621052 3      C-13-H3C(O)CH3
  434729.2403  0.0264 -5.2195 3  796.4806500  595161404621151 3    621152 3      C-13-H3C(O)CH3
  434729.2403  0.0264 -5.6475 3  796.4806500  595161404621251 3    621152 3      C-13-H3C(O)CH3
  434729.2403  0.0264 -5.2195 3  796.4806500  595161404621251 3    621052 3      C-13-H3C(O)CH3
  434745.8867  0.0026 -3.6284 3  319.0669348  59516140443 241 3    42 340 3      C-13-H3C(O)CH3
  434745.8867  0.0026 -3.6079 3  319.0669348  59516140443 341 3    42 240 3      C-13-H3C(O)CH3
  434745.9004  0.0026 -3.7826 3  319.0670348  59516140443 241 4    42 240 4      C-13-H3C(O)CH3
  434745.9004  0.0026 -3.7826 3  319.0670348  59516140443 341 4    42 340 4      C-13-H3C(O)CH3
  434745.9048  0.0026 -4.9661 3  319.0669348 -59516140443 341 3    42 340 3      C-13-H3C(O)CH3
  434745.9048  0.0026 -4.0338 3  319.0670348 -59516140443 341 4    42 240 4      C-13-H3C(O)CH3
  434745.9048  0.0026 -4.6540 3  319.0669348 -59516140443 241 3    42 240 3      C-13-H3C(O)CH3
  434745.9048  0.0026 -4.0338 3  319.0670348 -59516140443 241 4    42 340 4      C-13-H3C(O)CH3
  434765.4763  0.0272 -6.1197 3  438.1356632  595161404392910 2    392613 2      C-13-H3C(O)CH3
  434774.7210  0.0031 -5.1776 3  319.0381696  59516140443 341 1    42 340 1      C-13-H3C(O)CH3
  434774.7210  0.0031 -5.1776 3  319.0381696  59516140443 241 1    42 240 1      C-13-H3C(O)CH3
  434774.7472  0.0030 -3.3246 3  319.0377696 -59516140443 341 2    42 240 2      C-13-H3C(O)CH3
  434774.7472  0.0031 -3.2938 3  319.0381696 -59516140443 341 1    42 240 1      C-13-H3C(O)CH3
  434774.7472  0.0031 -3.2938 3  319.0381696 -59516140443 241 1    42 340 1      C-13-H3C(O)CH3
  434774.7472  0.0030 -3.3246 3  319.0377696 -59516140443 241 2    42 340 2      C-13-H3C(O)CH3
  434774.7911  0.0030 -4.3820 3  319.0377696  59516140443 341 2    42 340 2      C-13-H3C(O)CH3
  434774.7911  0.0030 -4.3820 3  319.0377696  59516140443 241 2    42 240 2      C-13-H3C(O)CH3
  434795.1804  0.0249 -5.8006 3  580.3187744  595161404462819 1    462522 1      C-13-H3C(O)CH3
  434803.0417  0.0067 -6.3854 3  177.2246440  595161404271116 2    27 819 2      C-13-H3C(O)CH3
  434803.1077  0.0113 -6.0787 3   61.7613248  5951614041514 1 2    1411 3 2      C-13-H3C(O)CH3
  434803.5539  0.0025 -3.4468 3  319.0089696  59516140443 341 0    42 340 0      C-13-H3C(O)CH3
  434803.5539  0.0025 -3.4468 3  319.0089696  59516140443 241 0    42 240 0      C-13-H3C(O)CH3
  434803.5629  0.0025 -3.8020 3  319.0089696 -59516140443 241 0    42 340 0      C-13-H3C(O)CH3
  434803.5629  0.0025 -3.8020 3  319.0089696 -59516140443 341 0    42 240 0      C-13-H3C(O)CH3
  434804.0661  0.0067 -6.3854 3  177.2246440  595161404271216 2    27 919 2      C-13-H3C(O)CH3
  434804.6197  0.0229 -5.8008 3  580.3157744  595161404462819 2    462522 2      C-13-H3C(O)CH3
  434816.3036  0.0279 -6.3797 3  438.1224316  595161404392910 4    392613 4      C-13-H3C(O)CH3
  434832.6948  0.0029 -3.5420 3  156.6108392 -5951614042417 8 0    2316 7 0      C-13-H3C(O)CH3
  434832.6989  0.1369 -6.0292 3  801.5415872  595161404543222 1    542925 1      C-13-H3C(O)CH3
  434835.2778  0.0027 -3.7915 3  284.3482284 -595161404351124 3    341223 3      C-13-H3C(O)CH3
  434835.2778  0.0027 -3.7915 3  284.3482284 -595161404351124 4    341223 4      C-13-H3C(O)CH3
  434835.2778  0.0027 -3.7915 3  284.3482284 -595161404351224 3    341123 3      C-13-H3C(O)CH3
  434835.2778  0.0027 -3.7915 3  284.3482284 -595161404351224 4    341123 4      C-13-H3C(O)CH3
  434835.6779  0.0541 -5.8209 3  650.6590792  595161404492722 2    483019 2      C-13-H3C(O)CH3
  434838.8784  0.0067 -6.3847 3  177.2259440  595161404271116 1    27 819 1      C-13-H3C(O)CH3
  434839.8559  0.0067 -6.3847 3  177.2259440  595161404271216 1    27 919 1      C-13-H3C(O)CH3
  434874.4089  0.0030 -3.4904 3  284.3691568 -595161404351224 1    341123 1      C-13-H3C(O)CH3
  434874.4089  0.0030 -3.4904 3  284.3691568 -595161404351124 1    341223 1      C-13-H3C(O)CH3
  434877.2774  0.0029 -3.4905 3  284.3676568 -595161404351124 2    341223 2      C-13-H3C(O)CH3
  434877.2774  0.0029 -3.4905 3  284.3676568 -595161404351224 2    341123 2      C-13-H3C(O)CH3
  434916.2374  0.0025 -3.4905 3  284.3885568 -595161404351224 0    341123 0      C-13-H3C(O)CH3
  434916.2374  0.0025 -3.4905 3  284.3885568 -595161404351124 0    341223 0      C-13-H3C(O)CH3
  434939.5920  0.0215 -6.1014 3  580.2999372  595161404462819 4    462522 4      C-13-H3C(O)CH3
  434939.6857  0.1335 -6.0475 3  761.1967840  595161404523517 0    523220 0      C-13-H3C(O)CH3
  434941.2380  0.0417 -5.8212 3  650.6593792  595161404492722 1    483019 1      C-13-H3C(O)CH3
  434963.3441  0.0210 -6.1013 3  580.3000372  595161404462819 3    462522 3      C-13-H3C(O)CH3
  434997.1618  0.0092 -5.6264 3   74.7595140  5951614041713 4 3    1610 7 3      C-13-H3C(O)CH3
  435003.4476  0.0611 -5.9734 3  651.4066776  595161404483315 0    483018 0      C-13-H3C(O)CH3
  435060.5143  0.0155 -5.7785 3  759.1983984  595161404611051 0    61 952 0      C-13-H3C(O)CH3
  435060.5143  0.0155 -6.0806 3  759.1983984  595161404611151 0    611052 0      C-13-H3C(O)CH3
  435060.5143  0.0155 -4.7621 3  759.1983984  595161404611151 0    61 952 0      C-13-H3C(O)CH3
  435060.5143  0.0155 -4.7835 3  759.1983984  595161404611051 0    611052 0      C-13-H3C(O)CH3
  435088.6519  0.0064 -6.3828 3  177.2232440  595161404271116 0    27 819 0      C-13-H3C(O)CH3
  435089.6558  0.0064 -6.3828 3  177.2232440  595161404271216 0    27 919 0      C-13-H3C(O)CH3
  435105.1658  0.0100 -5.9093 3  323.0510568  595161404351817 2    351520 2      C-13-H3C(O)CH3
  435106.9527  0.0612 -6.3445 3  651.3968776  595161404483316 1    483018 1      C-13-H3C(O)CH3
  435113.4396  0.0230 -4.7432 3  759.1678984  595161404611051 2    611052 2      C-13-H3C(O)CH3
  435113.4396  0.0230 -4.7432 3  759.1678984  595161404611151 2    61 952 2      C-13-H3C(O)CH3
  435113.5792  0.0234 -6.5622 3  759.1681984  595161404611051 1    61 952 1      C-13-H3C(O)CH3
  435113.5792  0.0234 -6.5622 3  759.1681984  595161404611151 1    611052 1      C-13-H3C(O)CH3
  435113.5792  0.0234 -4.7481 3  759.1681984  595161404611051 1    611052 1      C-13-H3C(O)CH3
  435113.5792  0.0234 -4.7481 3  759.1681984  595161404611151 1    61 952 1      C-13-H3C(O)CH3
  435132.3068  0.3549 -6.2650 3  819.3233872  595161404543618 2    543321 2      C-13-H3C(O)CH3
  435142.6195  0.0088 -5.9085 3  323.0780568  595161404351817 0    351520 0      C-13-H3C(O)CH3
  435145.0769  0.0111 -6.0748 3   61.7063248  5951614041514 2 0    1411 3 0      C-13-H3C(O)CH3
  435148.6079  0.0107 -6.2103 3  323.0269284  595161404351817 3    351520 3      C-13-H3C(O)CH3
  435149.4075  0.0108 -6.2103 3  323.0268284  595161404351817 4    351520 4      C-13-H3C(O)CH3
  435166.4641  0.0239 -5.0669 3  759.1376492  595161404611051 4    61 952 4      C-13-H3C(O)CH3
  435166.4641  0.0239 -6.3022 3  759.1376492  595161404611151 4    61 952 4      C-13-H3C(O)CH3
  435166.4641  0.0239 -6.3022 3  759.1376492  595161404611051 4    611052 4      C-13-H3C(O)CH3
  435166.4641  0.0239 -5.0669 3  759.1376492  595161404611151 4    611052 4      C-13-H3C(O)CH3
  435166.5677  0.0239 -5.8416 3  759.1376492  595161404611051 3    611052 3      C-13-H3C(O)CH3
  435166.5677  0.0239 -5.8416 3  759.1376492  595161404611151 3    61 952 3      C-13-H3C(O)CH3
  435166.5677  0.0239 -5.1174 3  759.1376492  595161404611151 3    611052 3      C-13-H3C(O)CH3
  435166.5677  0.0239 -5.1174 3  759.1376492  595161404611051 3    61 952 3      C-13-H3C(O)CH3
  435185.8573  0.0099 -5.9087 3  323.0538568  595161404351817 1    351520 1      C-13-H3C(O)CH3
  435199.1144  0.0139 -6.2574 3  320.9073552  595161404342311 1    341816 1      C-13-H3C(O)CH3
  435204.2480  0.0465 -5.8194 3  650.6626792  595161404492722 0    483019 0      C-13-H3C(O)CH3
  435233.4009  0.0733 -5.8073 3 1365.6642C24  595161404762552 0    762353 0      C-13-H3C(O)CH3
  435233.4009  0.0733 -6.1585 3 1365.6642C24  595161404762552 0    762453 0      C-13-H3C(O)CH3
  435233.4009  0.0733 -6.1585 3 1365.6642C24  595161404762452 0    762353 0      C-13-H3C(O)CH3
  435233.4009  0.0733 -5.8073 3 1365.6642C24  595161404762452 0    762453 0      C-13-H3C(O)CH3
  435238.6503  0.0761 -5.8543 3 1365.6842C24  595161404762552 1    762453 1      C-13-H3C(O)CH3
  435238.6503  0.0761 -6.0686 3 1365.6842C24  595161404762552 1    762353 1      C-13-H3C(O)CH3
  435238.6503  0.0761 -6.0686 3 1365.6842C24  595161404762452 1    762453 1      C-13-H3C(O)CH3
  435238.6503  0.0761 -5.8543 3 1365.6842C24  595161404762452 1    762353 1      C-13-H3C(O)CH3
  435244.8183  0.0801 -5.6478 3 1365.6857C24  595161404762452 2    762353 2      C-13-H3C(O)CH3
  435244.8183  0.0801 -5.6478 3 1365.6857C24  595161404762552 2    762453 2      C-13-H3C(O)CH3
  435248.5186  0.0035 -3.6609 3  151.8446188 -5951614042319 4 4    2218 4 4      C-13-H3C(O)CH3
  435250.1228  0.0668 -5.9491 3 1365.7058612  595161404762452 3    762353 3      C-13-H3C(O)CH3
  435250.1228  0.0668 -5.9491 3 1365.7058612  595161404762552 3    762453 3      C-13-H3C(O)CH3
  435250.1812  0.0668 -6.0912 3 1365.7058612  595161404762452 4    762353 4      C-13-H3C(O)CH3
  435250.1812  0.0668 -6.5007 3 1365.7058612  595161404762452 4    762453 4      C-13-H3C(O)CH3
  435250.1812  0.0668 -6.5007 3 1365.7058612  595161404762552 4    762353 4      C-13-H3C(O)CH3
  435250.1812  0.0668 -6.0912 3 1365.7058612  595161404762552 4    762453 4      C-13-H3C(O)CH3
  435258.8347  0.0039 -4.7450 3  156.5992196  5951614042417 7 3    2316 7 3      C-13-H3C(O)CH3
  435291.9439  0.0138 -6.2564 3  320.9283552  595161404342311 0    341816 0      C-13-H3C(O)CH3
  435349.7984  0.1249 -6.4930 3  761.1849840  595161404523518 1    523220 1      C-13-H3C(O)CH3
  435363.8298  0.0030 -3.6609 3  151.7895188 -5951614042319 4 3    2218 4 3      C-13-H3C(O)CH3
  435373.1956  0.0922 -6.4731 3  599.7482372  595161404463214 4    462917 4      C-13-H3C(O)CH3
  435409.8083  0.0110 -6.0745 3   61.6975248  5951614041514 1 0    1411 4 0      C-13-H3C(O)CH3
  435411.6274  0.0032 -3.6606 3  151.7844188 -5951614042319 5 3    2218 5 3      C-13-H3C(O)CH3
  435427.3533  0.1435 -6.0310 3  801.5429872  595161404543222 0    542925 0      C-13-H3C(O)CH3
  435431.4752  0.0933 -6.3454 3  651.3924776  595161404483316 2    483018 2      C-13-H3C(O)CH3
  435449.2824  0.0033 -3.9229 3  156.6238196  5951614042417 7 4    2316 7 4      C-13-H3C(O)CH3
  435456.2178  0.0030 -3.3593 3  151.8356376 -5951614042319 4 1    2218 4 1      C-13-H3C(O)CH3
  435458.6331  0.0169 -6.5631 3  320.8795276  595161404342311 4    341816 4      C-13-H3C(O)CH3
  435502.6430  0.0171 -6.5754 3  320.8794276  595161404342311 3    341816 3      C-13-H3C(O)CH3
  435509.1893  0.0031 -3.3591 3  151.8448376 -5951614042319 4 2    2218 4 2      C-13-H3C(O)CH3
  435527.0747  0.0028 -3.6604 3  151.7294188 -5951614042319 5 4    2218 5 4      C-13-H3C(O)CH3
  435531.2327  0.0032 -3.7379 3  156.6139392 -5951614042417 7 1    2316 7 1      C-13-H3C(O)CH3
  435532.0250  0.0095 -6.1936 3   60.9467132  5951614041610 6 3    15 7 9 3      C-13-H3C(O)CH3
  435534.1688  0.0957 -6.6584 3  651.3842388  595161404483316 4    483018 4      C-13-H3C(O)CH3
  435544.2659  0.0147 -5.3519 3  722.4429968  59516140460 951 0    60 952 0      C-13-H3C(O)CH3
  435544.2659  0.0147 -4.8193 3  722.4429968  595161404601051 0    60 952 0      C-13-H3C(O)CH3
  435544.2659  0.0147 -5.3519 3  722.4429968  595161404601051 0    60 852 0      C-13-H3C(O)CH3
  435544.2659  0.0147 -4.8193 3  722.4429968  59516140460 951 0    60 852 0      C-13-H3C(O)CH3
  435553.5653  0.0037 -3.8404 3  156.6118392 -5951614042417 7 2    2316 7 2      C-13-H3C(O)CH3
  435557.6342  0.0099 -5.9086 3  323.0510568  595161404351917 2    351620 2      C-13-H3C(O)CH3
  435561.6657  0.0234 -5.7124 3  722.4117968  59516140460 951 2    60 952 2      C-13-H3C(O)CH3
  435561.6657  0.0234 -4.7527 3  722.4117968  59516140460 951 2    60 852 2      C-13-H3C(O)CH3
  435561.6657  0.0234 -5.7124 3  722.4117968  595161404601051 2    60 852 2      C-13-H3C(O)CH3
  435561.6657  0.0234 -4.7527 3  722.4117968  595161404601051 2    60 952 2      C-13-H3C(O)CH3
  435561.7140  0.0237 -6.5385 3  722.4119968  595161404601051 1    60 852 1      C-13-H3C(O)CH3
  435561.7140  0.0237 -4.7139 3  722.4119968  595161404601051 1    60 952 1      C-13-H3C(O)CH3
  435561.7140  0.0237 -6.5385 3  722.4119968  59516140460 951 1    60 952 1      C-13-H3C(O)CH3
  435561.7140  0.0237 -4.7139 3  722.4119968  59516140460 951 1    60 852 1      C-13-H3C(O)CH3
  435578.9291  0.0215 -5.0088 3  722.3807484  59516140460 951 4    60 952 4      C-13-H3C(O)CH3
  435578.9291  0.0215 -5.0088 3  722.3807484  595161404601051 4    60 852 4      C-13-H3C(O)CH3
  435579.1372  0.0215 -5.0277 3  722.3807484  59516140460 951 3    60 952 3      C-13-H3C(O)CH3
  435579.1372  0.0215 -6.3704 3  722.3807484  59516140460 951 3    60 852 3      C-13-H3C(O)CH3
  435579.1372  0.0215 -5.0277 3  722.3807484  595161404601051 3    60 852 3      C-13-H3C(O)CH3
  435579.1372  0.0215 -6.3704 3  722.3807484  595161404601051 3    60 952 3      C-13-H3C(O)CH3
  435581.3961  0.0162 -6.2681 3  320.9004552  595161404342311 2    341816 2      C-13-H3C(O)CH3
  435583.6863  0.0087 -5.9078 3  323.0780568  595161404351917 0    351620 0      C-13-H3C(O)CH3
  435592.3406  0.0116 -6.1952 3   60.9467132  5951614041610 6 4    15 7 9 4      C-13-H3C(O)CH3
  435596.1073  0.0588 -6.1739 3  780.7826872  595161404542926 0    533023 0      C-13-H3C(O)CH3
  435599.6911  0.0106 -6.2096 3  323.0268284  595161404351917 4    351620 4      C-13-H3C(O)CH3
  435599.6928  0.0103 -6.2096 3  323.0269284  595161404351917 3    351620 3      C-13-H3C(O)CH3
  435608.6023  0.0088 -5.8847 3   60.9057264  5951614041610 6 2    15 7 9 2      C-13-H3C(O)CH3
  435618.2495  0.1915 -6.4685 3  761.1798840  595161404523518 2    523220 2      C-13-H3C(O)CH3
  435618.4944  0.0028 -3.3590 3  151.7755376 -5951614042319 5 1    2218 5 1      C-13-H3C(O)CH3
  435621.4920  0.0894 -6.0073 3  705.2166808  595161404503416 0    503119 0      C-13-H3C(O)CH3
  435622.5700  0.1923 -6.6031 3 1837.0031D84  595161404863353 2    863254 2      C-13-H3C(O)CH3
  435622.5700  0.1923 -6.6031 3 1837.0031D84  595161404863453 2    863354 2      C-13-H3C(O)CH3
  435623.7127  0.0029 -3.3590 3  151.7898376 -5951614042319 5 2    2218 5 2      C-13-H3C(O)CH3
  435625.4617  0.0097 -5.9081 3  323.0538568  595161404351917 1    351620 1      C-13-H3C(O)CH3
  435626.5710  0.2119 -6.4985 3 1836.9994D84  595161404863353 1    863354 1      C-13-H3C(O)CH3
  435626.5710  0.2119 -6.4985 3 1836.9994D84  595161404863453 1    863254 1      C-13-H3C(O)CH3
  435652.3698  0.0068 -6.6722 3   43.4323232  59516140414 9 6 0    13 4 9 0      C-13-H3C(O)CH3
  435672.2855  0.2168 -6.6279 3 1836.9940D84  595161404863453 0    863354 0      C-13-H3C(O)CH3
  435672.2855  0.2168 -6.6279 3 1836.9940D84  595161404863353 0    863254 0      C-13-H3C(O)CH3
  435694.5071  0.3125 -6.4211 3  894.3272460  595161404573423 3    573126 3      C-13-H3C(O)CH3
  435709.5513  0.3092 -6.4212 3  894.3272460  595161404573423 4    573126 4      C-13-H3C(O)CH3
  435714.7638  0.0030 -3.3585 3  151.8358376 -5951614042319 5 0    2218 4 0      C-13-H3C(O)CH3
  435717.1502  0.0030 -3.3585 3  151.8357376 -5951614042319 4 0    2218 5 0      C-13-H3C(O)CH3
  435731.1296  0.0243 -6.4677 3  378.1640292  5951614043628 9 3    362511 3      C-13-H3C(O)CH3
  435734.4221  0.0252 -6.1950 3  438.0659632  595161404392911 1    392614 1      C-13-H3C(O)CH3
  435762.3398  0.0087 -5.8885 3   60.9073264  5951614041610 6 1    15 7 9 1      C-13-H3C(O)CH3
  435779.8578  0.0028 -3.7745 3  292.0185292 -595161404361126 4    351025 4      C-13-H3C(O)CH3
  435779.8578  0.0027 -3.7712 3  292.0185292 -595161404361026 3    351125 3      C-13-H3C(O)CH3
  435779.8578  0.0027 -3.7644 3  292.0185292 -595161404361126 3    351025 3      C-13-H3C(O)CH3
  435779.8578  0.0028 -5.3362 3  292.0185292 -595161404361026 4    351025 4      C-13-H3C(O)CH3
  435780.0067  0.0028 -3.7726 3  292.0185292  595161404361026 4    351125 4      C-13-H3C(O)CH3
  435780.0067  0.0028 -5.4143 3  292.0185292  595161404361126 4    351125 4      C-13-H3C(O)CH3
  435780.0956  0.0027 -6.1787 3  292.0185292  595161404361126 3    351125 3      C-13-H3C(O)CH3
  435780.0956  0.0027 -5.4881 3  292.0185292  595161404361026 3    351025 3      C-13-H3C(O)CH3
  435811.0464  0.0082 -5.8798 3   60.8664264  5951614041610 6 0    15 7 9 0      C-13-H3C(O)CH3
  435818.7886  0.0031 -4.0195 3  292.0383584 -595161404361126 1    351025 1      C-13-H3C(O)CH3
  435818.7886  0.0031 -4.0180 3  292.0383584 -595161404361026 1    351125 1      C-13-H3C(O)CH3
  435818.8482  0.0031 -3.6031 3  292.0383584  595161404361126 1    351125 1      C-13-H3C(O)CH3
  435818.8482  0.0031 -3.6025 3  292.0383584  595161404361026 1    351025 1      C-13-H3C(O)CH3
  435820.9070  0.0030 -5.0257 3  292.0371584  595161404361026 2    351025 2      C-13-H3C(O)CH3
  435820.9070  0.0030 -5.0422 3  292.0371584  595161404361126 2    351125 2      C-13-H3C(O)CH3
  435820.9310  0.0030 -3.4734 3  292.0371584 -595161404361026 2    351125 2      C-13-H3C(O)CH3
  435820.9310  0.0030 -3.4738 3  292.0371584 -595161404361126 2    351025 2      C-13-H3C(O)CH3
  435831.2792  0.0309 -6.3824 3  438.0453316  595161404392911 4    392614 4      C-13-H3C(O)CH3
  435859.5408  0.0026 -3.4642 3  292.0569584 -595161404361126 0    351025 0      C-13-H3C(O)CH3
  435859.5408  0.0026 -3.5586 3  292.0569584 -595161404361026 0    351125 0      C-13-H3C(O)CH3
  435859.5893  0.0026 -5.6625 3  292.0569584  595161404361126 0    351125 0      C-13-H3C(O)CH3
  435859.5893  0.0026 -4.1696 3  292.0569584  595161404361026 0    351025 0      C-13-H3C(O)CH3
  435865.9851  0.0031 -3.6477 3  321.7901356  59516140444 243 3    43 142 3      C-13-H3C(O)CH3
  435865.9851  0.0031 -4.3513 3  321.7901356  59516140444 143 3    43 142 3      C-13-H3C(O)CH3
  435866.0006  0.0031 -3.7355 3  321.7902356  59516140444 243 4    43 242 4      C-13-H3C(O)CH3
  435866.0006  0.0031 -3.7355 3  321.7902356  59516140444 143 4    43 142 4      C-13-H3C(O)CH3
  435866.1134  0.0031 -4.0668 3  321.7902356 -59516140444 143 4    43 242 4      C-13-H3C(O)CH3
  435866.1134  0.0031 -4.0668 3  321.7902356 -59516140444 243 4    43 142 4      C-13-H3C(O)CH3
  435866.1134  0.0031 -3.6477 3  321.7901356 -59516140444 143 3    43 242 3      C-13-H3C(O)CH3
  435866.1134  0.0031 -4.3513 3  321.7901356 -59516140444 243 3    43 242 3      C-13-H3C(O)CH3
  435878.4478  0.0549 -6.1717 3  780.7728872  595161404542926 1    533023 1      C-13-H3C(O)CH3
  435885.0375  0.0864 -6.4039 3  705.2062808  595161404503417 1    503119 1      C-13-H3C(O)CH3
  435885.1124  0.0037 -3.8524 3  321.7448712  59516140444 243 1    43 242 1      C-13-H3C(O)CH3
  435885.1124  0.0037 -3.3991 3  321.7448712  59516140444 143 1    43 242 1      C-13-H3C(O)CH3
  435885.1212  0.0035 -3.3747 3  321.7444712 -59516140444 243 2    43 142 2      C-13-H3C(O)CH3
  435885.1212  0.0035 -3.9303 3  321.7444712 -59516140444 143 2    43 142 2      C-13-H3C(O)CH3
  435885.1212  0.0037 -3.3991 3  321.7448712 -59516140444 243 1    43 142 1      C-13-H3C(O)CH3
  435885.1212  0.0037 -3.8524 3  321.7448712 -59516140444 143 1    43 142 1      C-13-H3C(O)CH3
  435885.1725  0.0035 -3.9303 3  321.7444712  59516140444 243 2    43 242 2      C-13-H3C(O)CH3
  435885.1725  0.0035 -3.3747 3  321.7444712  59516140444 143 2    43 242 2      C-13-H3C(O)CH3
  435904.2453  0.0029 -3.3363 3  321.6992712  59516140444 243 0    43 242 0      C-13-H3C(O)CH3
  435904.2453  0.0029 -3.3363 3  321.6992712  59516140444 143 0    43 142 0      C-13-H3C(O)CH3
  435904.2524  0.0029 -4.1051 3  321.6992712 -59516140444 243 0    43 142 0      C-13-H3C(O)CH3
  435904.2524  0.0029 -4.1051 3  321.6992712 -59516140444 143 0    43 242 0      C-13-H3C(O)CH3
  435950.6318  0.0906 -6.1706 3  780.7699872  595161404542926 2    533023 2      C-13-H3C(O)CH3
  435960.1563  0.0035 -3.9238 3  156.5150196 -5951614042417 8 4    2316 8 4      C-13-H3C(O)CH3
  435966.3726  0.0193 -5.1241 3  686.2110476  59516140459 951 4    59 752 4      C-13-H3C(O)CH3
  435966.3726  0.0193 -5.1241 3  686.2110476  59516140459 851 4    59 852 4      C-13-H3C(O)CH3
  435966.3726  0.0193 -5.5330 3  686.2110476  59516140459 851 4    59 752 4      C-13-H3C(O)CH3
  435966.3726  0.0193 -5.5330 3  686.2110476  59516140459 951 4    59 852 4      C-13-H3C(O)CH3
  435966.6904  0.0193 -4.9963 3  686.2110476  59516140459 951 3    59 752 3      C-13-H3C(O)CH3
  435966.6904  0.0193 -6.4438 3  686.2110476  59516140459 851 3    59 752 3      C-13-H3C(O)CH3
  435966.6904  0.0193 -4.9963 3  686.2110476  59516140459 851 3    59 852 3      C-13-H3C(O)CH3
  435966.6904  0.0193 -6.4438 3  686.2110476  59516140459 951 3    59 852 3      C-13-H3C(O)CH3
  435969.4206  0.0710 -5.5973 3 1320.2050C08  595161404752452 0    752353 0      C-13-H3C(O)CH3
  435969.4206  0.0710 -5.5973 3 1320.2050C08  595161404752352 0    752253 0      C-13-H3C(O)CH3
  435980.1207  0.0248 -6.4454 3  378.1684292  5951614043628 8 4    362511 4      C-13-H3C(O)CH3
  435985.1992  0.3259 -6.4272 3  819.3093436  595161404543618 3    543321 3      C-13-H3C(O)CH3
  435987.2563  0.0766 -5.5830 3 1320.2241C08  595161404752352 1    752353 1      C-13-H3C(O)CH3
  435987.2563  0.0766 -5.5830 3 1320.2241C08  595161404752452 1    752253 1      C-13-H3C(O)CH3
  435993.3764  0.0802 -5.6604 3 1320.2252C08  595161404752352 2    752353 2      C-13-H3C(O)CH3
  435993.3764  0.0802 -5.5706 3 1320.2252C08  595161404752452 2    752253 2      C-13-H3C(O)CH3
  435993.3764  0.0802 -6.5781 3 1320.2252C08  595161404752352 2    752253 2      C-13-H3C(O)CH3
  435995.6802  0.0240 -4.8167 3  686.2412952  59516140459 851 1    59 852 1      C-13-H3C(O)CH3
  435995.6802  0.0240 -4.8167 3  686.2412952  59516140459 951 1    59 752 1      C-13-H3C(O)CH3
  435995.6802  0.0240 -5.2487 3  686.2412952  59516140459 951 1    59 852 1      C-13-H3C(O)CH3
  435995.6802  0.0240 -5.2487 3  686.2412952  59516140459 851 1    59 752 1      C-13-H3C(O)CH3
  435995.8104  0.0239 -6.1834 3  686.2409952  59516140459 851 2    59 752 2      C-13-H3C(O)CH3
  435995.8104  0.0239 -4.6939 3  686.2409952  59516140459 851 2    59 852 2      C-13-H3C(O)CH3
  435995.8104  0.0239 -4.6939 3  686.2409952  59516140459 951 2    59 752 2      C-13-H3C(O)CH3
  435995.8104  0.0239 -6.1834 3  686.2409952  59516140459 951 2    59 852 2      C-13-H3C(O)CH3
  436011.2792  0.0634 -5.9762 3 1320.2443604  595161404752352 3    752353 3      C-13-H3C(O)CH3
  436011.2792  0.0634 -6.5313 3 1320.2443604  595161404752452 3    752353 3      C-13-H3C(O)CH3
  436011.2792  0.0634 -6.5313 3 1320.2443604  595161404752352 3    752253 3      C-13-H3C(O)CH3
  436011.2792  0.0634 -5.9762 3 1320.2443604  595161404752452 3    752253 3      C-13-H3C(O)CH3
  436011.3608  0.0635 -5.8731 3 1320.2443604  595161404752452 4    752253 4      C-13-H3C(O)CH3
  436011.3608  0.0635 -5.8731 3 1320.2443604  595161404752352 4    752353 4      C-13-H3C(O)CH3
  436024.7687  0.0148 -4.6836 3  686.2710952  59516140459 851 0    59 752 0      C-13-H3C(O)CH3
  436024.7687  0.0148 -4.6836 3  686.2710952  59516140459 951 0    59 852 0      C-13-H3C(O)CH3
  436035.1037  0.0042 -4.7350 3   82.9012156  59516140419 811 3    18 712 3      C-13-H3C(O)CH3
  436035.7547  0.0058 -4.7350 3   82.9012156  59516140419 811 4    18 712 4      C-13-H3C(O)CH3
  436051.8033  0.0241 -5.4835 3  596.0164728  595161404453511 0    4436 8 0      C-13-H3C(O)CH3
  436051.8084  0.0241 -5.4835 3  596.0164728  595161404453510 0    4436 9 0      C-13-H3C(O)CH3
  436052.6526  0.0266 -6.4505 3  378.1412292  5951614043628 9 4    362512 4      C-13-H3C(O)CH3
  436054.2644  0.0222 -6.2706 3  378.1645584  5951614043628 9 1    362512 1      C-13-H3C(O)CH3
  436070.3371  0.0263 -6.1205 3  438.0684632  595161404392911 2    392614 2      C-13-H3C(O)CH3
  436082.8124  0.0236 -5.9999 3  438.0850632  595161404392911 0    392614 0      C-13-H3C(O)CH3
  436082.8325  0.0042 -4.7349 3   82.9012156  59516140419 911 3    18 612 3      C-13-H3C(O)CH3
  436083.0863  0.0058 -4.7349 3   82.9012156  59516140419 911 4    18 612 4      C-13-H3C(O)CH3
  436097.4239  0.0721 -6.2145 3  651.3968776  595161404483315 1    483018 1      C-13-H3C(O)CH3
  436105.1943  0.0221 -6.1534 3  378.1911584  5951614043628 8 2    362511 2      C-13-H3C(O)CH3
  436105.5092  0.0224 -6.2690 3  378.1754584  5951614043628 8 1    362511 1      C-13-H3C(O)CH3
  436107.7309  0.0253 -5.4840 3  596.0302728  595161404453510 1    4436 8 1      C-13-H3C(O)CH3
  436117.3580  0.0059 -5.2434 3   74.7001280  5951614041713 4 0    1610 7 0      C-13-H3C(O)CH3
  436147.4683  0.0040 -4.7431 3  156.5399196  5951614042417 8 3    2316 8 3      C-13-H3C(O)CH3
  436157.1829  0.0035 -3.7378 3  156.5361392 -5951614042417 8 1    2316 8 1      C-13-H3C(O)CH3
  436163.8980  0.0298 -6.4816 3  438.0537316  595161404392911 3    392614 3      C-13-H3C(O)CH3
  436187.9430  0.0184 -5.8227 3  430.9447648  595161404402218 2    401921 2      C-13-H3C(O)CH3
  436188.7384  0.0213 -6.1339 3  378.1994584  5951614043628 8 0    362511 0      C-13-H3C(O)CH3
  436192.0978  0.1344 -6.3938 3  705.2010808  595161404503417 2    503119 2      C-13-H3C(O)CH3
  436210.2516  0.0042 -3.9814 3  153.8761196  5951614042416 8 3    2315 9 3      C-13-H3C(O)CH3
  436234.5744  0.0885 -6.4695 3  780.7601436  595161404542926 4    533023 4      C-13-H3C(O)CH3
  436238.4134  0.0882 -6.4695 3  780.7600436  595161404542926 3    533023 3      C-13-H3C(O)CH3
  436257.6046  0.0037 -3.8407 3  156.5434392 -5951614042417 8 2    2316 8 2      C-13-H3C(O)CH3
  436257.7334  0.0200 -6.1233 3  430.9200324  595161404402218 3    401921 3      C-13-H3C(O)CH3
  436260.4805  0.0130 -5.8227 3  430.9726648  595161404402218 0    401921 0      C-13-H3C(O)CH3
  436261.0080  0.0197 -6.1233 3  430.9199324  595161404402218 4    401921 4      C-13-H3C(O)CH3
  436265.0249  0.0248 -5.4835 3  595.9960728  595161404453511 1    4436 9 1      C-13-H3C(O)CH3
  436294.3188  0.0045 -4.4330 3   82.8684312 -59516140419 811 2    18 712 2      C-13-H3C(O)CH3
  436299.7520  0.0235 -5.4828 3  596.0126728  595161404453511 2    4436 9 2      C-13-H3C(O)CH3
  436301.9294  0.0246 -6.4689 3  378.1457292  5951614043628 8 3    362512 3      C-13-H3C(O)CH3
  436307.3290  0.4175 -6.5248 3  992.0744484  595161404603624 3    603327 3      C-13-H3C(O)CH3
  436311.8484  0.0039 -3.6832 3  153.8764392  5951614042416 8 2    2315 9 2      C-13-H3C(O)CH3
  436315.1437  0.0284 -6.4391 3  438.0659632  595161404392910 1    392614 1      C-13-H3C(O)CH3
  436321.8807  0.0043 -4.4332 3   82.8697312  59516140419 811 1    18 712 1      C-13-H3C(O)CH3
  436322.2869  0.4124 -6.5249 3  992.0744484  595161404603624 4    603327 4      C-13-H3C(O)CH3
  436328.5017  0.0178 -5.4565 3  650.6296468  59516140458 751 4    58 752 4      C-13-H3C(O)CH3
  436328.5017  0.0178 -5.1292 3  650.6296468  59516140458 851 4    58 752 4      C-13-H3C(O)CH3
  436328.5017  0.0178 -5.4565 3  650.6296468  59516140458 851 4    58 652 4      C-13-H3C(O)CH3
  436328.5017  0.0178 -5.1292 3  650.6296468  59516140458 751 4    58 652 4      C-13-H3C(O)CH3
  436328.9209  0.0176 -5.3510 3  650.6297468  59516140458 751 3    58 652 3      C-13-H3C(O)CH3
  436328.9209  0.0176 -5.1895 3  650.6297468  59516140458 851 3    58 652 3      C-13-H3C(O)CH3
  436328.9209  0.0176 -5.3510 3  650.6297468  59516140458 851 3    58 752 3      C-13-H3C(O)CH3
  436328.9209  0.0176 -5.1895 3  650.6297468  59516140458 751 3    58 752 3      C-13-H3C(O)CH3
  436330.6134  0.0144 -5.8223 3  430.9479648  595161404402218 1    401921 1      C-13-H3C(O)CH3
  436344.0499  0.0044 -4.4330 3   82.8684312  59516140419 911 2    18 612 2      C-13-H3C(O)CH3
  436348.8628  0.0032 -3.6756 3  153.8792392 -5951614042416 8 0    2315 9 0      C-13-H3C(O)CH3
  436354.5548  0.0275 -5.7843 3  596.0265364  595161404453510 3    4436 8 3      C-13-H3C(O)CH3
  436355.2615  0.0245 -5.4835 3  596.0316728  595161404453510 2    4436 8 2      C-13-H3C(O)CH3
  436369.9026  0.0043 -4.4331 3   82.8697312  59516140419 911 1    18 612 1      C-13-H3C(O)CH3
  436371.0617  0.0419 -6.1313 3  526.3911356  595161404442519 3    442222 3      C-13-H3C(O)CH3
  436377.4944  0.1459 -6.2415 3  761.1849840  595161404523517 1    523220 1      C-13-H3C(O)CH3
  436377.6290  0.0423 -6.1313 3  526.3910356  595161404442519 4    442222 4      C-13-H3C(O)CH3
  436392.9839  0.3195 -6.1225 3  894.3244920  595161404573423 2    573126 2      C-13-H3C(O)CH3
  436409.4387  0.0089 -5.5257 3   74.7300280  5951614041713 4 1    1610 7 1      C-13-H3C(O)CH3
  436411.9313  0.0300 -5.7851 3  596.0453364  595161404453510 4    4436 8 4      C-13-H3C(O)CH3
  436413.9211  0.0041 -3.6922 3  153.8768392  5951614042416 8 1    2315 9 1      C-13-H3C(O)CH3
  436415.9659  0.0402 -5.8309 3  526.4108712  595161404442519 2    442222 2      C-13-H3C(O)CH3
  436416.5434  0.0237 -4.6794 3  650.6565936  59516140458 851 1    58 652 1      C-13-H3C(O)CH3
  436416.5434  0.0237 -6.0325 3  650.6565936  59516140458 851 1    58 752 1      C-13-H3C(O)CH3
  436416.5434  0.0237 -4.6794 3  650.6565936  59516140458 751 1    58 752 1      C-13-H3C(O)CH3
  436416.5434  0.0237 -6.0325 3  650.6565936  59516140458 751 1    58 652 1      C-13-H3C(O)CH3
  436416.8951  0.0235 -4.8285 3  650.6562936  59516140458 751 2    58 752 2      C-13-H3C(O)CH3
  436416.8951  0.0235 -5.1544 3  650.6562936  59516140458 851 2    58 752 2      C-13-H3C(O)CH3
  436416.8951  0.0235 -4.8285 3  650.6562936  59516140458 851 2    58 652 2      C-13-H3C(O)CH3
  436416.8951  0.0235 -5.1544 3  650.6562936  59516140458 751 2    58 652 2      C-13-H3C(O)CH3
  436427.8994  0.0224 -6.1565 3  378.1684584  5951614043628 9 2    362512 2      C-13-H3C(O)CH3
  436443.3084  0.2105 -6.1224 3  894.3240920  595161404573423 1    573126 1      C-13-H3C(O)CH3
  436467.6468  0.0090 -5.5162 3   74.7285280  5951614041713 4 2    1610 7 2      C-13-H3C(O)CH3
  436476.9395  0.0212 -6.1334 3  378.1898584  5951614043628 9 0    362512 0      C-13-H3C(O)CH3
  436482.6592  0.5225 -6.6395 3 1094.7658508  595161404633825 3    633528 3      C-13-H3C(O)CH3
  436495.9960  0.5153 -6.6396 3 1094.7658508  595161404633825 4    633528 4      C-13-H3C(O)CH3
  436504.4095  0.0151 -4.6605 3  650.6830936  59516140458 851 0    58 652 0      C-13-H3C(O)CH3
  436504.4095  0.0151 -4.6605 3  650.6830936  59516140458 751 0    58 752 0      C-13-H3C(O)CH3
  436511.2478  0.0261 -5.7838 3  595.9921364  595161404453511 4    4436 9 4      C-13-H3C(O)CH3
  436539.0691  0.0079 -4.0185 3  153.8719196  5951614042416 8 4    2315 9 4      C-13-H3C(O)CH3
  436567.4429  0.0276 -5.7846 3  596.0112364  595161404453511 3    4436 9 3      C-13-H3C(O)CH3
  436580.6759  0.0044 -4.4322 3   82.8371312 -59516140419 811 0    18 712 0      C-13-H3C(O)CH3
  436618.1006  0.0219 -5.8307 3  526.4139712  595161404442519 1    442222 1      C-13-H3C(O)CH3
  436630.5067  0.0044 -4.4321 3   82.8370312  59516140419 911 0    18 612 0      C-13-H3C(O)CH3
  436641.0388  0.0026 -6.1002 3  166.4034204  5951614042516 9 4    2415 9 4      C-13-H3C(O)CH3
  436659.8199  0.1699 -6.6509 3 1785.8458D68  595161404853253 2    853154 2      C-13-H3C(O)CH3
  436659.8199  0.1699 -6.6509 3 1785.8458D68  595161404853353 2    853254 2      C-13-H3C(O)CH3
  436660.4455  0.0223 -5.8313 3  526.4336712  595161404442519 0    442222 0      C-13-H3C(O)CH3
  436661.9594  0.1850 -6.4702 3 1785.8421D68  595161404853253 1    853254 1      C-13-H3C(O)CH3
  436661.9594  0.1850 -6.4702 3 1785.8421D68  595161404853353 1    853154 1      C-13-H3C(O)CH3
  436664.9933  0.0174 -5.7391 3  615.6377460  59516140457 651 4    57 552 4      C-13-H3C(O)CH3
  436664.9933  0.0174 -5.0300 3  615.6377460  59516140457 651 4    57 652 4      C-13-H3C(O)CH3
  436664.9933  0.0174 -5.7391 3  615.6377460  59516140457 751 4    57 652 4      C-13-H3C(O)CH3
  436664.9933  0.0174 -5.0300 3  615.6377460  59516140457 751 4    57 552 4      C-13-H3C(O)CH3
  436665.4847  0.0171 -4.9570 3  615.6377460  59516140457 651 3    57 552 3      C-13-H3C(O)CH3
  436665.4847  0.0171 -4.9570 3  615.6377460  59516140457 751 3    57 652 3      C-13-H3C(O)CH3
  436676.6058  0.0690 -5.5139 3 1275.3191B92  595161404742352 0    742153 0      C-13-H3C(O)CH3
  436676.6058  0.0690 -5.5139 3 1275.3191B92  595161404742252 0    742253 0      C-13-H3C(O)CH3
  436707.9059  0.0768 -5.4920 3 1275.3365B92  595161404742352 1    742153 1      C-13-H3C(O)CH3
  436707.9059  0.0768 -5.4920 3 1275.3365B92  595161404742252 1    742253 1      C-13-H3C(O)CH3
  436708.4716  0.1911 -6.4124 3 1785.8339D68  595161404853253 0    853154 0      C-13-H3C(O)CH3
  436708.4716  0.1911 -6.4041 3 1785.8339D68  595161404853353 0    853254 0      C-13-H3C(O)CH3
  436713.7793  0.0799 -6.4018 3 1275.3374B92  595161404742252 2    742253 2      C-13-H3C(O)CH3
  436713.7793  0.0799 -6.4018 3 1275.3374B92  595161404742352 2    742153 2      C-13-H3C(O)CH3
  436713.7793  0.0799 -5.5485 3 1275.3374B92  595161404742352 2    742253 2      C-13-H3C(O)CH3
  436713.7793  0.0799 -5.5485 3 1275.3374B92  595161404742252 2    742153 2      C-13-H3C(O)CH3
  436717.3400  0.1220 -6.2155 3  651.3924776  595161404483315 2    483018 2      C-13-H3C(O)CH3
  436745.1584  0.0603 -6.0657 3 1275.3548596  595161404742352 3    742253 3      C-13-H3C(O)CH3
  436745.1584  0.0603 -6.1234 3 1275.3548596  595161404742352 3    742153 3      C-13-H3C(O)CH3
  436745.1584  0.0603 -6.1234 3 1275.3548596  595161404742252 3    742253 3      C-13-H3C(O)CH3
  436745.1584  0.0603 -6.0657 3 1275.3548596  595161404742252 3    742153 3      C-13-H3C(O)CH3
  436745.2638  0.0604 -5.7926 3 1275.3549596  595161404742252 4    742153 4      C-13-H3C(O)CH3
  436745.2638  0.0604 -5.7926 3 1275.3549596  595161404742352 4    742253 4      C-13-H3C(O)CH3
  436767.1227  0.0030 -6.2172 3  166.4046408  5951614042516 9 1    2415 9 1      C-13-H3C(O)CH3
  436778.4999  0.0028 -4.0208 3  299.1277300 -595161404371028 3    361027 3      C-13-H3C(O)CH3
  436778.4999  0.0028 -3.7590 3  299.1277300 -595161404371028 4    361027 4      C-13-H3C(O)CH3
  436778.4999  0.0028 -4.0208 3  299.1277300 -59516140437 928 3    36 927 3      C-13-H3C(O)CH3
  436778.4999  0.0028 -5.0419 3  299.1277300 -59516140437 928 4    361027 4      C-13-H3C(O)CH3
  436778.5584  0.0028 -3.7590 3  299.1277300  59516140437 928 4    36 927 4      C-13-H3C(O)CH3
  436778.5584  0.0028 -5.0419 3  299.1277300  595161404371028 4    36 927 4      C-13-H3C(O)CH3
  436778.6386  0.0028 -4.0558 3  299.1277300  595161404371028 3    36 927 3      C-13-H3C(O)CH3
  436778.6386  0.0028 -4.0558 3  299.1277300  59516140437 928 3    361027 3      C-13-H3C(O)CH3
  436780.2251  0.0422 -6.6227 3  438.0684632  595161404392910 2    392614 2      C-13-H3C(O)CH3
  436816.8887  0.3722 -6.6047 3  819.3107436  595161404543618 4    543321 4      C-13-H3C(O)CH3
  436817.5758  0.0031 -3.6270 3  299.1459600 -59516140437 928 1    361027 1      C-13-H3C(O)CH3
  436817.5758  0.0031 -3.6270 3  299.1459600 -595161404371028 1    36 927 1      C-13-H3C(O)CH3
  436817.5967  0.0031 -3.8845 3  299.1459600  595161404371028 1    361027 1      C-13-H3C(O)CH3
  436817.5967  0.0031 -3.8845 3  299.1459600  59516140437 928 1    36 927 1      C-13-H3C(O)CH3
  436819.0956  0.0031 -6.2803 3  299.1449600 -595161404371028 2    36 927 2      C-13-H3C(O)CH3
  436819.0956  0.0031 -6.2803 3  299.1449600 -59516140437 928 2    361027 2      C-13-H3C(O)CH3
  436819.0969  0.0031 -3.4365 3  299.1449600  59516140437 928 2    36 927 2      C-13-H3C(O)CH3
  436819.0969  0.0031 -3.4365 3  299.1449600  595161404371028 2    361027 2      C-13-H3C(O)CH3
  436825.3694  0.0225 -5.3497 3  615.6586920  59516140457 651 1    57 552 1      C-13-H3C(O)CH3
  436825.3694  0.0225 -4.7482 3  615.6586920  59516140457 651 1    57 652 1      C-13-H3C(O)CH3
  436825.3694  0.0225 -4.7482 3  615.6586920  59516140457 751 1    57 552 1      C-13-H3C(O)CH3
  436825.3694  0.0225 -5.3497 3  615.6586920  59516140457 751 1    57 652 1      C-13-H3C(O)CH3
  436825.9261  0.0220 -4.6512 3  615.6583920  59516140457 751 2    57 552 2      C-13-H3C(O)CH3
  436825.9261  0.0220 -4.6512 3  615.6583920  59516140457 651 2    57 652 2      C-13-H3C(O)CH3
  436840.2888  0.0029 -6.6244 3  166.3937408  5951614042516 9 2    2415 9 2      C-13-H3C(O)CH3
  436857.9384  0.0026 -3.7680 3  299.1631600 -59516140437 928 0    36 927 0      C-13-H3C(O)CH3
  436857.9384  0.0026 -3.7079 3  299.1631600 -595161404371028 0    36 927 0      C-13-H3C(O)CH3
  436857.9858  0.0026 -3.7680 3  299.1631600  595161404371028 0    361027 0      C-13-H3C(O)CH3
  436857.9858  0.0026 -3.7079 3  299.1631600  59516140437 928 0    361027 0      C-13-H3C(O)CH3
  436899.5072  0.1015 -6.2308 3  705.2062808  595161404503416 1    503119 1      C-13-H3C(O)CH3
  436900.4281  0.0122 -5.8752 3   74.7574140  5951614041713 4 4    1610 7 4      C-13-H3C(O)CH3
  436907.6110  0.2539 -6.2570 3  761.1798840  595161404523517 2    523220 2      C-13-H3C(O)CH3
  436910.1161  0.1294 -6.4567 3  651.3813388  595161404483315 3    483018 3      C-13-H3C(O)CH3
  436959.1847  0.0544 -6.4663 3  447.4271324  595161404402714 4    392811 4      C-13-H3C(O)CH3
  436975.5078  0.0189 -5.3623 3  581.2363452  59516140456 551 4    56 452 4      C-13-H3C(O)CH3
  436975.5078  0.0189 -5.1736 3  581.2363452  59516140456 551 4    56 552 4      C-13-H3C(O)CH3
  436975.5078  0.0189 -5.3623 3  581.2363452  59516140456 651 4    56 552 4      C-13-H3C(O)CH3
  436975.5078  0.0189 -5.1736 3  581.2363452  59516140456 651 4    56 452 4      C-13-H3C(O)CH3
  436976.0119  0.0184 -4.9679 3  581.2363452  59516140456 551 3    56 452 3      C-13-H3C(O)CH3
  436976.0119  0.0184 -6.5509 3  581.2363452  59516140456 651 3    56 452 3      C-13-H3C(O)CH3
  436976.0119  0.0184 -6.5509 3  581.2363452  59516140456 551 3    56 552 3      C-13-H3C(O)CH3
  436976.0119  0.0184 -4.9679 3  581.2363452  59516140456 651 3    56 552 3      C-13-H3C(O)CH3
  436985.5957  0.0153 -6.2924 3  615.6791920  59516140457 751 0    57 552 0      C-13-H3C(O)CH3
  436985.5957  0.0153 -4.6608 3  615.6791920  59516140457 751 0    57 652 0      C-13-H3C(O)CH3
  436985.5957  0.0153 -6.2924 3  615.6791920  59516140457 651 0    57 652 0      C-13-H3C(O)CH3
  436985.5957  0.0153 -4.6608 3  615.6791920  59516140457 651 0    57 552 0      C-13-H3C(O)CH3
  436994.6817  0.0046 -3.5493 3  323.9783364 -59516140445 145 3    44 144 3      C-13-H3C(O)CH3
  436994.6817  0.0045 -3.5521 3  323.9783364 -59516140445 145 4    44 144 4      C-13-H3C(O)CH3
  436994.6817  0.0045 -3.5521 3  323.9783364 -59516140445 045 4    44 044 4      C-13-H3C(O)CH3
  436994.7170  0.0045 -5.7303 3  323.9783364  59516140445 145 4    44 044 4      C-13-H3C(O)CH3
  436994.7170  0.0045 -5.7303 3  323.9783364  59516140445 045 4    44 144 4      C-13-H3C(O)CH3
  436994.7258  0.0046 -3.5493 3  323.9783364  59516140445 045 3    44 044 3      C-13-H3C(O)CH3
  436999.2147  0.0060 -4.3751 3  323.9116728  59516140445 145 1    44 144 1      C-13-H3C(O)CH3
  436999.2147  0.0060 -4.3751 3  323.9116728  59516140445 045 1    44 044 1      C-13-H3C(O)CH3
  436999.2828  0.0060 -3.2818 3  323.9116728 -59516140445 045 1    44 144 1      C-13-H3C(O)CH3
  436999.2828  0.0060 -3.2818 3  323.9116728 -59516140445 145 1    44 044 1      C-13-H3C(O)CH3
  436999.2828  0.0056 -5.1449 3  323.9112728 -59516140445 045 2    44 044 2      C-13-H3C(O)CH3
  436999.3683  0.0056 -3.2481 3  323.9112728  59516140445 045 2    44 144 2      C-13-H3C(O)CH3
  436999.3683  0.0056 -3.2536 3  323.9112728  59516140445 145 2    44 044 2      C-13-H3C(O)CH3
  437003.8387  0.0047 -5.1706 3  323.8447728  59516140445 145 0    44 044 0      C-13-H3C(O)CH3
  437003.8387  0.0047 -3.2532 3  323.8447728  59516140445 045 0    44 044 0      C-13-H3C(O)CH3
  437004.0025  0.0047 -5.1706 3  323.8447728 -59516140445 045 0    44 144 0      C-13-H3C(O)CH3
  437004.0025  0.0047 -3.2532 3  323.8447728 -59516140445 145 0    44 144 0      C-13-H3C(O)CH3
  437004.8786  0.2997 -6.2263 3  992.0672968  595161404603624 1    603327 1      C-13-H3C(O)CH3
  437033.7748  0.4272 -6.2265 3  992.0690968  595161404603624 2    603327 2      C-13-H3C(O)CH3
  437034.6304  0.0087 -3.9000 3  156.5399196  5951614042417 7 3    2316 8 3      C-13-H3C(O)CH3
  437036.0290  0.0552 -6.6645 3  820.7774824  5951614045146 5 1    5047 3 1      C-13-H3C(O)CH3
  437052.7321  0.0071 -4.1032 3  124.6246360  5951614042213 9 2    211210 2      C-13-H3C(O)CH3
  437057.6705  0.0600 -6.6655 3  820.7558824  5951614045146 5 2    5047 3 2      C-13-H3C(O)CH3
  437063.0574  0.3966 -6.3408 3 1094.7564A16  595161404633825 1    633528 1      C-13-H3C(O)CH3
  437114.5910  0.0071 -4.1025 3  124.6154360 -5951614042213 9 0    211210 0      C-13-H3C(O)CH3
  437138.8182  0.2182 -6.1247 3  894.3212920  595161404573423 0    573126 0      C-13-H3C(O)CH3
  437152.7730  0.5325 -6.3414 3 1094.7597A16  595161404633825 2    633528 2      C-13-H3C(O)CH3
  437173.5085  0.0067 -6.5040 3  160.9605424  595161404261016 2    26 719 2      C-13-H3C(O)CH3
  437173.7885  0.0067 -6.5040 3  160.9605424  595161404261116 2    26 819 2      C-13-H3C(O)CH3
  437204.5450  0.0068 -6.5032 3  160.9617424  595161404261016 1    26 719 1      C-13-H3C(O)CH3
  437204.8113  0.0068 -6.5032 3  160.9617424  595161404261116 1    26 819 1      C-13-H3C(O)CH3
  437206.7408  0.0187 -5.0856 3  502.5867680  595161404423013 2    413111 2      C-13-H3C(O)CH3
  437214.8475  0.0582 -6.6650 3  820.7470824  5951614045146 6 1    5047 4 1      C-13-H3C(O)CH3
  437223.2215  0.0213 -4.6554 3  581.2481904  59516140456 651 1    56 452 1      C-13-H3C(O)CH3
  437223.2215  0.0213 -4.6554 3  581.2481904  59516140456 551 1    56 552 1      C-13-H3C(O)CH3
  437223.8907  0.0201 -4.6558 3  581.2478904  59516140456 651 2    56 452 2      C-13-H3C(O)CH3
  437223.8907  0.0201 -4.6558 3  581.2478904  59516140456 551 2    56 552 2      C-13-H3C(O)CH3
  437225.4821  0.0077 -4.4060 3  124.6376180  5951614042213 9 3    211210 3      C-13-H3C(O)CH3
  437235.3766  0.0176 -5.0861 3  502.5976680  595161404423013 0    413110 0      C-13-H3C(O)CH3
  437252.6462  0.0112 -4.4063 3  124.6374180  5951614042213 9 4    211210 4      C-13-H3C(O)CH3
  437252.8090  0.0176 -5.0860 3  502.5976680  595161404423012 0    413111 0      C-13-H3C(O)CH3
  437256.5258  0.0027 -3.5386 3  156.5552392 -5951614042417 7 0    2316 8 0      C-13-H3C(O)CH3
  437259.7050  0.0230 -4.9799 3  547.4266444  59516140455 451 4    55 452 4      C-13-H3C(O)CH3
  437259.7050  0.0230 -4.9799 3  547.4266444  59516140455 551 4    55 352 4      C-13-H3C(O)CH3
  437260.1195  0.0224 -5.0206 3  547.4265444  59516140455 551 3    55 352 3      C-13-H3C(O)CH3
  437260.1195  0.0224 -6.0279 3  547.4265444  59516140455 551 3    55 452 3      C-13-H3C(O)CH3
  437260.1195  0.0224 -6.0279 3  547.4265444  59516140455 451 3    55 352 3      C-13-H3C(O)CH3
  437260.1195  0.0224 -5.0206 3  547.4265444  59516140455 451 3    55 452 3      C-13-H3C(O)CH3
  437270.5546  0.4908 -6.4673 3 1202.3752A64  595161404664026 1    663729 1      C-13-H3C(O)CH3
  437297.4299  0.0073 -4.1044 3  124.6283360  5951614042213 9 1    211210 1      C-13-H3C(O)CH3
  437352.9607  0.0205 -5.3864 3  502.5594340  595161404423013 4    413111 4      C-13-H3C(O)CH3
  437356.3226  0.0667 -5.5233 3 1231.0076B76  595161404732152 0    732153 0      C-13-H3C(O)CH3
  437356.3226  0.0667 -6.0796 3 1231.0076B76  595161404732152 0    732053 0      C-13-H3C(O)CH3
  437356.3226  0.0667 -5.9412 3 1231.0076B76  595161404732252 0    732153 0      C-13-H3C(O)CH3
  437356.3226  0.0667 -5.5711 3 1231.0076B76  595161404732252 0    732053 0      C-13-H3C(O)CH3
  437359.5491  0.0202 -5.3868 3  502.5848340  595161404423013 3    413110 3      C-13-H3C(O)CH3
  437369.4007  0.0449 -5.8621 3  447.4380648  595161404402714 2    392811 2      C-13-H3C(O)CH3
  437370.6826  0.0355 -5.8868 3  622.4401760  595161404473216 0    472919 0      C-13-H3C(O)CH3
  437381.9201  0.6125 -6.4681 3 1202.3804A64  595161404664026 2    663729 2      C-13-H3C(O)CH3
  437389.5968  0.0184 -5.0859 3  502.5706680  595161404423013 1    413111 1      C-13-H3C(O)CH3
  437395.4872  0.0372 -6.0980 3  622.4328760  595161404473216 1    472919 1      C-13-H3C(O)CH3
  437399.0472  0.0185 -5.0863 3  502.5959680  595161404423012 1    413110 1      C-13-H3C(O)CH3
  437399.9761  0.0498 -6.6637 3  820.7237824  5951614045146 6 0    5047 4 0      C-13-H3C(O)CH3
  437399.9761  0.0498 -6.6637 3  820.7237824  5951614045146 5 0    5047 3 0      C-13-H3C(O)CH3
  437401.6366  0.0762 -5.4408 3 1231.0227B76  595161404732252 1    732153 1      C-13-H3C(O)CH3
  437401.6366  0.0762 -5.4408 3 1231.0227B76  595161404732152 1    732053 1      C-13-H3C(O)CH3
  437407.0919  0.0787 -5.5070 3 1231.0233B76  595161404732252 2    732053 2      C-13-H3C(O)CH3
  437407.0919  0.0787 -6.1435 3 1231.0233B76  595161404732152 2    732053 2      C-13-H3C(O)CH3
  437407.0919  0.0787 -5.5070 3 1231.0233B76  595161404732152 2    732153 2      C-13-H3C(O)CH3
  437407.0919  0.0787 -6.1435 3 1231.0233B76  595161404732252 2    732153 2      C-13-H3C(O)CH3
  437442.5748  0.0394 -6.3908 3  778.8929808  5951614045044 6 1    4945 4 1      C-13-H3C(O)CH3
  437452.4965  0.0573 -5.8799 3 1231.0385588  595161404732252 3    732153 3      C-13-H3C(O)CH3
  437452.4965  0.0573 -6.2240 3 1231.0385588  595161404732252 3    732053 3      C-13-H3C(O)CH3
  437452.4965  0.0573 -6.2240 3 1231.0385588  595161404732152 3    732153 3      C-13-H3C(O)CH3
  437452.4965  0.0573 -5.8799 3 1231.0385588  595161404732152 3    732053 3      C-13-H3C(O)CH3
  437452.6253  0.0574 -5.7260 3 1231.0385588  595161404732252 4    732153 4      C-13-H3C(O)CH3
  437452.6253  0.0574 -5.7260 3 1231.0385588  595161404732152 4    732053 4      C-13-H3C(O)CH3
  437470.7340  0.0158 -4.8438 3  581.2596904  59516140456 551 0    56 552 0      C-13-H3C(O)CH3
  437470.7340  0.0158 -4.8438 3  581.2596904  59516140456 651 0    56 452 0      C-13-H3C(O)CH3
  437470.7340  0.0158 -5.1065 3  581.2596904  59516140456 551 0    56 452 0      C-13-H3C(O)CH3
  437470.7340  0.0158 -5.1065 3  581.2596904  59516140456 651 0    56 552 0      C-13-H3C(O)CH3
  437481.2894  0.0184 -5.0857 3  502.6118680  595161404423012 2    413110 2      C-13-H3C(O)CH3
  437482.6443  0.0166 -6.5209 3  288.2798520  5951614043223 9 0    321814 0      C-13-H3C(O)CH3
  437492.1296  0.1772 -6.2392 3  705.2010808  595161404503416 2    503119 2      C-13-H3C(O)CH3
  437511.8425  0.0065 -6.5012 3  160.9525424  595161404261016 0    26 719 0      C-13-H3C(O)CH3
  437512.1169  0.0065 -6.5012 3  160.9525424  595161404261116 0    26 819 0      C-13-H3C(O)CH3
  437517.2417  0.2462 -6.4241 3  761.1675420  595161404523517 3    523220 3      C-13-H3C(O)CH3
  437517.2614  0.0300 -5.0990 3  514.2095436  59516140454 451 4    54 252 4      C-13-H3C(O)CH3
  437517.2614  0.0300 -5.8783 3  514.2095436  59516140454 451 4    54 352 4      C-13-H3C(O)CH3
  437517.2614  0.0300 -5.8783 3  514.2095436  59516140454 351 4    54 252 4      C-13-H3C(O)CH3
  437517.2614  0.0300 -5.0990 3  514.2095436  59516140454 351 4    54 352 4      C-13-H3C(O)CH3
  437517.4257  0.0292 -5.2159 3  514.2095436  59516140454 451 3    54 252 3      C-13-H3C(O)CH3
  437517.4257  0.0292 -5.4944 3  514.2095436  59516140454 351 3    54 252 3      C-13-H3C(O)CH3
  437517.4257  0.0292 -5.2159 3  514.2095436  59516140454 351 3    54 352 3      C-13-H3C(O)CH3
  437517.4257  0.0292 -5.4944 3  514.2095436  59516140454 451 3    54 352 3      C-13-H3C(O)CH3
  437535.2711  0.0554 -6.4284 3  622.4232380  595161404473216 4    472919 4      C-13-H3C(O)CH3
  437557.6536  0.0604 -6.6648 3  820.7235824  5951614045146 6 2    5047 4 2      C-13-H3C(O)CH3
  437580.5463  0.0423 -6.3915 3  778.8701808  5951614045044 6 2    4945 4 2      C-13-H3C(O)CH3
  437582.1564  0.0505 -6.1136 3  622.4313760  595161404473216 2    472919 2      C-13-H3C(O)CH3
  437602.4459  0.0125 -3.8410 3  156.5434392 -5951614042417 7 2    2316 8 2      C-13-H3C(O)CH3
  437611.1552  0.0235 -5.2547 3  547.4257888  59516140455 551 1    55 452 1      C-13-H3C(O)CH3
  437611.1552  0.0235 -4.8118 3  547.4257888  59516140455 451 1    55 452 1      C-13-H3C(O)CH3
  437611.1552  0.0235 -4.8118 3  547.4257888  59516140455 551 1    55 352 1      C-13-H3C(O)CH3
  437611.1552  0.0235 -5.2547 3  547.4257888  59516140455 451 1    55 352 1      C-13-H3C(O)CH3
  437611.7527  0.0210 -4.6960 3  547.4253888  59516140455 551 2    55 352 2      C-13-H3C(O)CH3
  437611.7527  0.0210 -6.0666 3  547.4253888  59516140455 551 2    55 452 2      C-13-H3C(O)CH3
  437611.7527  0.0210 -6.0666 3  547.4253888  59516140455 451 2    55 352 2      C-13-H3C(O)CH3
  437611.7527  0.0210 -4.6960 3  547.4253888  59516140455 451 2    55 452 2      C-13-H3C(O)CH3
  437625.2944  0.0187 -5.3865 3  502.5846340  595161404423012 3    413111 3      C-13-H3C(O)CH3
  437633.7520  0.0206 -5.3868 3  502.6099340  595161404423012 4    413110 4      C-13-H3C(O)CH3
  437659.4339  0.1489 -6.5895 3 1735.2503D52  595161404843153 2    843154 2      C-13-H3C(O)CH3
  437659.4339  0.1489 -6.6282 3 1735.2503D52  595161404843253 2    843154 2      C-13-H3C(O)CH3
  437659.4339  0.1489 -6.5895 3 1735.2503D52  595161404843253 2    843054 2      C-13-H3C(O)CH3
  437659.4339  0.1489 -6.6282 3 1735.2503D52  595161404843153 2    843054 2      C-13-H3C(O)CH3
  437659.8088  0.1599 -6.3766 3 1735.2467D52  595161404843253 1    843154 1      C-13-H3C(O)CH3
  437659.8088  0.1599 -6.3766 3 1735.2467D52  595161404843153 1    843054 1      C-13-H3C(O)CH3
  437674.1552  0.0189 -6.5246 3  288.2530520  5951614043223 9 2    321814 2      C-13-H3C(O)CH3
  437689.8202  0.0427 -6.3909 3  778.8576808  5951614045044 7 1    4945 5 1      C-13-H3C(O)CH3
  437705.7927  0.1669 -6.3244 3 1735.2359D52  595161404843253 0    843054 0      C-13-H3C(O)CH3
  437705.7927  0.1669 -6.3294 3 1735.2359D52  595161404843153 0    843154 0      C-13-H3C(O)CH3
  437731.0522  0.3085 -6.2289 3  992.0618968  595161404603624 0    603327 0      C-13-H3C(O)CH3
  437735.7536  0.4062 -6.3437 3 1094.7502A16  595161404633825 0    633528 0      C-13-H3C(O)CH3
  437747.5654  0.0391 -5.2766 3  481.5863428  59516140453 251 3    53 252 3      C-13-H3C(O)CH3
  437747.5654  0.0391 -5.6974 3  481.5863428  59516140453 351 3    53 252 3      C-13-H3C(O)CH3
  437747.5654  0.0391 -5.6974 3  481.5863428  59516140453 251 3    53 152 3      C-13-H3C(O)CH3
  437747.5654  0.0391 -5.2766 3  481.5863428  59516140453 351 3    53 152 3      C-13-H3C(O)CH3
  437747.8896  0.0400 -5.4040 3  481.5863428  59516140453 251 4    53 252 4      C-13-H3C(O)CH3
  437747.8896  0.0400 -5.4746 3  481.5863428  59516140453 251 4    53 152 4      C-13-H3C(O)CH3
  437747.8896  0.0400 -5.4040 3  481.5863428  59516140453 351 4    53 152 4      C-13-H3C(O)CH3
  437747.8896  0.0400 -5.4746 3  481.5863428  59516140453 351 4    53 252 4      C-13-H3C(O)CH3
  437755.4475  0.0372 -6.3899 3  778.8462808  5951614045044 7 0    4945 4 0      C-13-H3C(O)CH3
  437755.4475  0.0372 -6.3899 3  778.8462808  5951614045044 6 0    4945 5 0      C-13-H3C(O)CH3
  437804.4192  0.4995 -6.4700 3 1202.3703A64  595161404664026 0    663729 0      C-13-H3C(O)CH3
  437805.0898  0.1330 -6.5079 3  651.3842388  595161404483315 4    483018 4      C-13-H3C(O)CH3
  437811.7924  0.0027 -3.7369 3  305.6825308 -59516140438 830 3    37 929 3      C-13-H3C(O)CH3
  437811.7924  0.0027 -3.7397 3  305.6825308 -59516140438 930 3    37 829 3      C-13-H3C(O)CH3
  437811.7924  0.0028 -6.2846 3  305.6825308 -59516140438 830 4    37 929 4      C-13-H3C(O)CH3
  437811.7924  0.0028 -5.1203 3  305.6825308 -59516140438 930 4    37 829 4      C-13-H3C(O)CH3
  437811.8148  0.0028 -3.7142 3  305.6825308  59516140438 830 4    37 829 4      C-13-H3C(O)CH3
  437811.8148  0.0028 -3.7304 3  305.6825308  59516140438 930 4    37 929 4      C-13-H3C(O)CH3
  437811.8858  0.0027 -4.9387 3  305.6825308  59516140438 930 3    37 929 3      C-13-H3C(O)CH3
  437811.8858  0.0027 -4.9860 3  305.6825308  59516140438 830 3    37 829 3      C-13-H3C(O)CH3
  437851.3016  0.0031 -3.5229 3  305.6985616 -59516140438 830 1    37 929 1      C-13-H3C(O)CH3
  437851.3016  0.0031 -4.0592 3  305.6985616 -59516140438 930 1    37 929 1      C-13-H3C(O)CH3
  437851.3155  0.0031 -3.5229 3  305.6985616  59516140438 930 1    37 829 1      C-13-H3C(O)CH3
  437851.3155  0.0031 -4.0592 3  305.6985616  59516140438 830 1    37 829 1      C-13-H3C(O)CH3
  437852.4139  0.0031 -4.3048 3  305.6976616  59516140438 930 2    37 829 2      C-13-H3C(O)CH3
  437852.4139  0.0031 -4.3048 3  305.6976616  59516140438 830 2    37 929 2      C-13-H3C(O)CH3
  437852.4284  0.0031 -3.4715 3  305.6976616 -59516140438 930 2    37 929 2      C-13-H3C(O)CH3
  437852.4284  0.0031 -3.4715 3  305.6976616 -59516140438 830 2    37 829 2      C-13-H3C(O)CH3
  437864.4454  0.0129 -3.9784 3  156.5361392 -5951614042417 7 1    2316 8 1      C-13-H3C(O)CH3
  437877.7148  0.0272 -5.5307 3  447.4190648  595161404402714 1    392811 1      C-13-H3C(O)CH3
  437880.0651  0.1805 -6.4397 3  705.1897404  595161404503416 3    503119 3      C-13-H3C(O)CH3
  437891.7737  0.0026 -3.4645 3  305.7135616  59516140438 930 0    37 929 0      C-13-H3C(O)CH3
  437891.7737  0.0026 -3.4645 3  305.7135616  59516140438 830 0    37 829 0      C-13-H3C(O)CH3
  437891.7925  0.0026 -4.3561 3  305.7135616 -59516140438 930 0    37 829 0      C-13-H3C(O)CH3
  437891.7925  0.0026 -4.3561 3  305.7135616 -59516140438 830 0    37 929 0      C-13-H3C(O)CH3
  437950.2073  0.0527 -5.3685 3  449.5579420  59516140452 251 3    52 152 3      C-13-H3C(O)CH3
  437950.2073  0.0527 -5.3678 3  449.5579420  59516140452 151 3    52 052 3      C-13-H3C(O)CH3
  437951.3589  0.0534 -5.3783 3  449.5579420  59516140452 151 4    52 052 4      C-13-H3C(O)CH3
  437951.3589  0.0534 -5.3783 3  449.5579420  59516140452 251 4    52 152 4      C-13-H3C(O)CH3
  437962.2077  0.0185 -6.1363 3  547.4244888  59516140455 551 0    55 352 0      C-13-H3C(O)CH3
  437962.2077  0.0185 -4.6925 3  547.4244888  59516140455 451 0    55 352 0      C-13-H3C(O)CH3
  437962.2077  0.0185 -4.6925 3  547.4244888  59516140455 551 0    55 452 0      C-13-H3C(O)CH3
  437962.2077  0.0185 -6.1363 3  547.4244888  59516140455 451 0    55 452 0      C-13-H3C(O)CH3
  437962.3244  0.0428 -5.7518 3  447.4094324  595161404402714 3    392811 3      C-13-H3C(O)CH3
  437990.2143  0.0328 -6.5093 3  514.1919872  59516140454 451 1    54 352 1      C-13-H3C(O)CH3
  437990.2143  0.0328 -4.7373 3  514.1919872  59516140454 451 1    54 252 1      C-13-H3C(O)CH3
  437990.2143  0.0328 -4.7373 3  514.1919872  59516140454 351 1    54 352 1      C-13-H3C(O)CH3
  437990.2143  0.0328 -6.5093 3  514.1919872  59516140454 351 1    54 252 1      C-13-H3C(O)CH3
  437990.4473  0.0296 -5.1639 3  514.1914872  59516140454 351 2    54 352 2      C-13-H3C(O)CH3
  437990.4473  0.0296 -5.1639 3  514.1914872  59516140454 451 2    54 252 2      C-13-H3C(O)CH3
  437990.4473  0.0296 -4.9293 3  514.1914872  59516140454 451 2    54 352 2      C-13-H3C(O)CH3
  437990.4473  0.0296 -4.9293 3  514.1914872  59516140454 351 2    54 252 2      C-13-H3C(O)CH3
  438009.9942  0.0638 -5.3443 3 1187.2714B60  595161404722152 0    722053 0      C-13-H3C(O)CH3
  438009.9942  0.0638 -5.3443 3 1187.2714B60  595161404722052 0    721953 0      C-13-H3C(O)CH3
  438036.1315  0.0426 -6.3905 3  778.8426808  5951614045044 7 2    4945 5 2      C-13-H3C(O)CH3
  438069.4678  0.0743 -5.3873 3 1187.2836B60  595161404722152 1    722053 1      C-13-H3C(O)CH3
  438069.4678  0.0743 -5.3873 3 1187.2836B60  595161404722052 1    721953 1      C-13-H3C(O)CH3
  438069.4678  0.0743 -6.3687 3 1187.2836B60  595161404722052 1    722053 1      C-13-H3C(O)CH3
  438069.4678  0.0743 -6.3687 3 1187.2836B60  595161404722152 1    721953 1      C-13-H3C(O)CH3
  438074.3662  0.0763 -5.3443 3 1187.2840B60  595161404722152 2    721953 2      C-13-H3C(O)CH3
  438074.3662  0.0763 -5.3443 3 1187.2840B60  595161404722052 2    722053 2      C-13-H3C(O)CH3
  438116.3609  0.0150 -4.8745 3  447.4300648  595161404402714 0    392811 0      C-13-H3C(O)CH3
  438133.9415  0.0544 -6.1936 3 1187.2962580  595161404722052 3    722053 3      C-13-H3C(O)CH3
  438133.9415  0.0544 -5.7894 3 1187.2962580  595161404722152 3    722053 3      C-13-H3C(O)CH3
  438133.9415  0.0544 -5.6641 3 1187.2962580  595161404722152 3    721953 3      C-13-H3C(O)CH3
  438134.0927  0.0545 -5.6516 3 1187.2962580  595161404722152 4    721953 4      C-13-H3C(O)CH3
  438134.0927  0.0545 -5.6482 3 1187.2962580  595161404722052 4    722053 4      C-13-H3C(O)CH3
  438197.7982  0.0176 -4.9209 3  447.4103648  595161404402714 2    392812 2      C-13-H3C(O)CH3
  438204.0869  0.0430 -6.4511 3  738.3264396  5951614044942 7 4    4843 5 4      C-13-H3C(O)CH3
  438218.5934  0.0310 -6.1488 3  738.3080792  5951614044942 7 1    4843 5 1      C-13-H3C(O)CH3
  438258.6461  0.0198 -5.3088 3  447.3995324  595161404402714 3    392812 3      C-13-H3C(O)CH3
  438320.8687  0.0209 -5.1973 3  447.3817324  595161404402714 4    392812 4      C-13-H3C(O)CH3
  438360.8768  0.0472 -4.8643 3  481.5468856  59516140453 351 2    53 252 2      C-13-H3C(O)CH3
  438360.8768  0.0472 -4.8643 3  481.5468856  59516140453 251 2    53 152 2      C-13-H3C(O)CH3
  438360.8768  0.0472 -6.0071 3  481.5468856  59516140453 251 2    53 252 2      C-13-H3C(O)CH3
  438360.8768  0.0472 -6.0071 3  481.5468856  59516140453 351 2    53 152 2      C-13-H3C(O)CH3
  438361.4247  0.0506 -4.8829 3  481.5472856  59516140453 251 1    53 152 1      C-13-H3C(O)CH3
  438361.4247  0.0506 -5.8096 3  481.5472856  59516140453 251 1    53 252 1      C-13-H3C(O)CH3
  438361.4247  0.0506 -5.8096 3  481.5472856  59516140453 351 1    53 152 1      C-13-H3C(O)CH3
  438361.4247  0.0506 -4.8829 3  481.5472856  59516140453 351 1    53 252 1      C-13-H3C(O)CH3
  438363.5817  0.5766 -6.6078 3 1314.9060B12  595161404694227 1    693930 1      C-13-H3C(O)CH3
  438409.9503  0.0162 -4.9823 3  447.4012648  595161404402714 1    392812 1      C-13-H3C(O)CH3
  438416.8526  0.2698 -6.5776 3  761.1692420  595161404523517 4    523220 4      C-13-H3C(O)CH3
  438432.3460  0.0498 -6.3024 3  622.4328760  595161404473215 1    472919 1      C-13-H3C(O)CH3
  438438.2385  0.6416 -6.6088 3 1314.9134B12  595161404694227 2    693930 2      C-13-H3C(O)CH3
  438438.5592  0.0334 -6.1491 3  738.2875792  5951614044942 7 2    4843 5 2      C-13-H3C(O)CH3
  438453.4620  0.0303 -6.1478 3  738.2690792  5951614044942 8 0    4843 5 0      C-13-H3C(O)CH3
  438453.4620  0.0303 -6.1478 3  738.2690792  5951614044942 7 0    4843 6 0      C-13-H3C(O)CH3
  438462.3503  0.0267 -5.5283 3  514.1738872  59516140454 451 0    54 252 0      C-13-H3C(O)CH3
  438462.3503  0.0267 -4.8038 3  514.1738872  59516140454 351 0    54 252 0      C-13-H3C(O)CH3
  438462.3503  0.0267 -5.5283 3  514.1738872  59516140454 351 0    54 352 0      C-13-H3C(O)CH3
  438462.3503  0.0267 -4.8038 3  514.1738872  59516140454 451 0    54 352 0      C-13-H3C(O)CH3
  438480.3674  0.0635 -6.3101 3  622.4247380  595161404473216 3    472919 3      C-13-H3C(O)CH3
  438482.4405  0.0428 -6.4509 3  738.2890396  5951614044942 8 3    4843 6 3      C-13-H3C(O)CH3
  438495.9612  0.0351 -6.1486 3  738.2705792  5951614044942 8 1    4843 6 1      C-13-H3C(O)CH3
  438502.4795  0.0597 -5.8956 3  724.5763824  595161404513319 0    513022 0      C-13-H3C(O)CH3
  438572.7855  0.0399 -6.4499 3  738.3037396  5951614044942 7 3    4843 5 3      C-13-H3C(O)CH3
  438578.6984  0.1119 -6.5200 3 1685.2313668  595161404833053 3    832954 3      C-13-H3C(O)CH3
  438578.6984  0.1119 -6.5200 3 1685.2313668  595161404833153 3    833054 3      C-13-H3C(O)CH3
  438621.4798  0.1370 -6.2402 3 1685.2145D36  595161404833053 1    832954 1      C-13-H3C(O)CH3
  438621.4798  0.1370 -6.2402 3 1685.2145D36  595161404833153 1    833054 1      C-13-H3C(O)CH3
  438622.7271  0.1299 -6.5233 3 1685.2179D36  595161404833053 2    832954 2      C-13-H3C(O)CH3
  438622.7271  0.1299 -6.5233 3 1685.2179D36  595161404833153 2    833054 2      C-13-H3C(O)CH3
  438622.7271  0.1299 -6.5084 3 1685.2179D36  595161404833053 2    833054 2      C-13-H3C(O)CH3
  438622.7271  0.1299 -6.5084 3 1685.2179D36  595161404833153 2    832954 2      C-13-H3C(O)CH3
  438639.1104  0.0601 -5.3204 3 1144.1116B44  595161404711952 0    711953 0      C-13-H3C(O)CH3
  438639.1104  0.0601 -6.2676 3 1144.1116B44  595161404711952 0    711853 0      C-13-H3C(O)CH3
  438639.1104  0.0601 -5.3204 3 1144.1116B44  595161404712052 0    711853 0      C-13-H3C(O)CH3
  438639.1104  0.0601 -6.2676 3 1144.1116B44  595161404712052 0    711953 0      C-13-H3C(O)CH3
  438648.8095  0.0252 -5.0803 3  396.2100308  595161404382415 4    372512 4      C-13-H3C(O)CH3
  438665.4861  0.1450 -6.2358 3 1685.2011D36  595161404833053 0    833054 0      C-13-H3C(O)CH3
  438665.4861  0.1450 -6.2985 3 1685.2011D36  595161404833153 0    832954 0      C-13-H3C(O)CH3
  438684.1682  0.0194 -4.7520 3  396.2291616  595161404382415 2    372512 2      C-13-H3C(O)CH3
  438685.5730  0.5835 -6.6101 3 1314.9040B12  595161404694227 0    693930 0      C-13-H3C(O)CH3
  438712.4058  0.0710 -5.5658 3 1144.1203B44  595161404711952 1    711953 1      C-13-H3C(O)CH3
  438712.4058  0.0710 -5.5840 3 1144.1203B44  595161404711952 1    711853 1      C-13-H3C(O)CH3
  438712.4058  0.0710 -5.5658 3 1144.1203B44  595161404712052 1    711853 1      C-13-H3C(O)CH3
  438712.4058  0.0710 -5.5840 3 1144.1203B44  595161404712052 1    711953 1      C-13-H3C(O)CH3
  438713.2499  0.0222 -4.6134 3  156.5150196  5951614042417 7 4    2316 8 4      C-13-H3C(O)CH3
  438716.6455  0.0725 -5.3323 3 1144.1205B44  595161404711952 2    711953 2      C-13-H3C(O)CH3
  438716.6455  0.0725 -6.1735 3 1144.1205B44  595161404711952 2    711853 2      C-13-H3C(O)CH3
  438716.6455  0.0725 -5.3436 3 1144.1205B44  595161404712052 2    711853 2      C-13-H3C(O)CH3
  438716.6455  0.0725 -6.1022 3 1144.1205B44  595161404712052 2    711953 2      C-13-H3C(O)CH3
  438723.9046  0.0733 -5.0712 3  449.4921840  59516140452 151 2    52 152 2      C-13-H3C(O)CH3
  438723.9046  0.0733 -5.0712 3  449.4921840  59516140452 251 2    52 052 2      C-13-H3C(O)CH3
  438725.7890  0.0768 -5.7800 3  449.4924840  59516140452 151 1    52 052 1      C-13-H3C(O)CH3
  438725.7890  0.0768 -5.1576 3  449.4924840  59516140452 251 1    52 052 1      C-13-H3C(O)CH3
  438725.7890  0.0768 -5.7800 3  449.4924840  59516140452 251 1    52 152 1      C-13-H3C(O)CH3
  438725.7890  0.0768 -5.1576 3  449.4924840  59516140452 151 1    52 152 1      C-13-H3C(O)CH3
  438752.0553  0.0159 -4.9201 3  447.4380648  595161404402713 2    392811 2      C-13-H3C(O)CH3
  438790.0531  0.0514 -6.1534 3 1144.1292572  595161404712052 3    711953 3      C-13-H3C(O)CH3
  438790.0531  0.0514 -5.7077 3 1144.1292572  595161404712052 3    711853 3      C-13-H3C(O)CH3
  438790.0531  0.0514 -6.1534 3 1144.1292572  595161404711952 3    711853 3      C-13-H3C(O)CH3
  438790.0531  0.0514 -5.7077 3 1144.1292572  595161404711952 3    711953 3      C-13-H3C(O)CH3
  438790.2242  0.0515 -5.5749 3 1144.1292572  595161404712052 4    711853 4      C-13-H3C(O)CH3
  438790.2242  0.0515 -5.5749 3 1144.1292572  595161404711952 4    711953 4      C-13-H3C(O)CH3
  438797.8930  0.1909 -6.5439 3  705.1920404  595161404503416 4    503119 4      C-13-H3C(O)CH3
  438806.1157  0.0335 -6.1479 3  738.2648792  5951614044942 8 2    4843 6 2      C-13-H3C(O)CH3
  438820.4327  0.0179 -5.0262 3  396.2050308  595161404382415 3    372512 3      C-13-H3C(O)CH3
  438849.1532  0.0446 -6.4498 3  738.2663396  5951614044942 8 4    4843 6 4      C-13-H3C(O)CH3
  438860.6954  0.0156 -5.1969 3  447.4271324  595161404402713 4    392811 4      C-13-H3C(O)CH3
  438868.6073  0.0027 -4.2407 3  311.6878316  59516140439 832 4    38 831 4      C-13-H3C(O)CH3
  438868.6073  0.0027 -4.2407 3  311.6878316  59516140439 732 4    38 731 4      C-13-H3C(O)CH3
  438868.6151  0.0027 -5.9076 3  311.6878316 -59516140439 732 3    38 731 3      C-13-H3C(O)CH3
  438868.6151  0.0027 -5.9076 3  311.6878316 -59516140439 832 3    38 831 3      C-13-H3C(O)CH3
  438868.6151  0.0027 -3.8345 3  311.6878316 -59516140439 832 4    38 731 4      C-13-H3C(O)CH3
  438868.6151  0.0027 -3.8345 3  311.6878316 -59516140439 732 4    38 831 4      C-13-H3C(O)CH3
  438868.6679  0.0027 -3.6934 3  311.6878316  59516140439 732 3    38 831 3      C-13-H3C(O)CH3
  438868.6679  0.0027 -3.6934 3  311.6878316  59516140439 832 3    38 731 3      C-13-H3C(O)CH3
  438898.4212  0.0163 -4.9816 3  447.4190648  595161404402713 1    392811 1      C-13-H3C(O)CH3
  438908.5392  0.0031 -3.9531 3  311.7005632 -59516140439 832 1    38 731 1      C-13-H3C(O)CH3
  438908.5392  0.0031 -3.9531 3  311.7005632 -59516140439 732 1    38 831 1      C-13-H3C(O)CH3
  438908.5726  0.0031 -3.5283 3  311.7005632  59516140439 832 1    38 831 1      C-13-H3C(O)CH3
  438908.5726  0.0031 -3.5283 3  311.7005632  59516140439 732 1    38 731 1      C-13-H3C(O)CH3
  438909.3724  0.0031 -3.5074 3  311.6998632  59516140439 732 2    38 831 2      C-13-H3C(O)CH3
  438909.3724  0.0031 -3.5074 3  311.6998632  59516140439 832 2    38 731 2      C-13-H3C(O)CH3
  438909.3795  0.0031 -4.0141 3  311.6998632 -59516140439 832 2    38 831 2      C-13-H3C(O)CH3
  438909.3795  0.0031 -4.0141 3  311.6998632 -59516140439 732 2    38 731 2      C-13-H3C(O)CH3
  438923.9444  0.0200 -5.3072 3  447.4094324  595161404402713 3    392811 3      C-13-H3C(O)CH3
  438932.7918  0.0509 -5.9072 3  724.5712824  595161404513319 1    513022 1      C-13-H3C(O)CH3
  438949.1829  0.0025 -4.0491 3  311.7125632 -59516140439 732 0    38 731 0      C-13-H3C(O)CH3
  438949.1829  0.0025 -4.0491 3  311.7125632 -59516140439 832 0    38 831 0      C-13-H3C(O)CH3
  438949.2055  0.0025 -3.4971 3  311.7125632  59516140439 732 0    38 831 0      C-13-H3C(O)CH3
  438949.2055  0.0025 -3.4971 3  311.7125632  59516140439 832 0    38 731 0      C-13-H3C(O)CH3
  438960.2385  0.0153 -4.8725 3  447.4293648  595161404402713 0    392812 0      C-13-H3C(O)CH3
  438962.4920  0.0503 -5.8971 3  699.5347808  595161404503318 0    503021 0      C-13-H3C(O)CH3
  438968.4112  0.0804 -6.2817 3  622.4313760  595161404473215 2    472919 2      C-13-H3C(O)CH3
  438973.4172  0.0422 -4.8478 3  481.5079856  59516140453 251 0    53 152 0      C-13-H3C(O)CH3
  438973.4172  0.0422 -4.8478 3  481.5079856  59516140453 351 0    53 252 0      C-13-H3C(O)CH3
  438973.4172  0.0422 -6.2965 3  481.5079856  59516140453 351 0    53 152 0      C-13-H3C(O)CH3
  438973.4172  0.0422 -6.2965 3  481.5079856  59516140453 251 0    53 252 0      C-13-H3C(O)CH3
  439009.2764  0.0092 -4.6977 3  396.2395616  595161404382415 0    372512 0      C-13-H3C(O)CH3
  439047.3871  0.0109 -4.7050 3  396.2186616  595161404382415 1    372512 1      C-13-H3C(O)CH3
  439060.8696  0.0648 -5.9149 3  724.5691824  595161404513319 2    513022 2      C-13-H3C(O)CH3
  439220.2661  0.0397 -5.7488 3  447.3995324  595161404402713 3    392812 3      C-13-H3C(O)CH3
  439245.2357  0.0557 -6.5369 3 1101.5292B28  595161404701952 0    701853 0      C-13-H3C(O)CH3
  439245.2357  0.0557 -5.2268 3 1101.5292B28  595161404701852 0    701853 0      C-13-H3C(O)CH3
  439245.2357  0.0557 -5.2066 3 1101.5292B28  595161404701952 0    701753 0      C-13-H3C(O)CH3
  439262.4268  0.0053 -5.1113 3   64.7676148  59516140418 513 3    17 414 3      C-13-H3C(O)CH3
  439262.4508  0.0053 -5.1113 3   64.7676148  59516140418 613 3    17 314 3      C-13-H3C(O)CH3
  439262.6736  0.0069 -5.1113 3   64.7676148  59516140418 513 4    17 414 4      C-13-H3C(O)CH3
  439262.6972  0.0069 -5.1113 3   64.7676148  59516140418 613 4    17 314 4      C-13-H3C(O)CH3
  439265.0002  0.0071 -6.6403 3  145.2845408  59516140425 916 2    25 619 2      C-13-H3C(O)CH3
  439265.0709  0.0071 -6.6403 3  145.2845408  595161404251016 2    25 719 2      C-13-H3C(O)CH3
  439272.6424  0.0476 -6.2455 3  724.5639412  595161404513319 4    513022 4      C-13-H3C(O)CH3
  439290.5565  0.0454 -5.9622 3  699.5296808  595161404503318 1    503021 1      C-13-H3C(O)CH3
  439291.5636  0.0072 -6.6396 3  145.2855408  59516140425 916 1    25 619 1      C-13-H3C(O)CH3
  439291.6306  0.0072 -6.6396 3  145.2855408  595161404251016 1    25 719 1      C-13-H3C(O)CH3
  439331.4483  0.0664 -5.3453 3 1101.5337B28  595161404701852 1    701853 1      C-13-H3C(O)CH3
  439331.4483  0.0664 -5.7671 3 1101.5337B28  595161404701952 1    701853 1      C-13-H3C(O)CH3
  439331.4483  0.0664 -5.3453 3 1101.5337B28  595161404701952 1    701753 1      C-13-H3C(O)CH3
  439331.4483  0.0664 -5.7671 3 1101.5337B28  595161404701852 1    701753 1      C-13-H3C(O)CH3
  439334.9674  0.0675 -5.4730 3 1101.5338B28  595161404701852 2    701853 2      C-13-H3C(O)CH3
  439334.9674  0.0675 -5.5436 3 1101.5338B28  595161404701952 2    701853 2      C-13-H3C(O)CH3
  439334.9674  0.0675 -5.4730 3 1101.5338B28  595161404701952 2    701753 2      C-13-H3C(O)CH3
  439334.9674  0.0675 -5.5436 3 1101.5338B28  595161404701852 2    701753 2      C-13-H3C(O)CH3
  439395.1679  0.0044 -4.5827 3   97.4473164  595161404201010 3    19 911 3      C-13-H3C(O)CH3
  439401.5848  0.0064 -4.5827 3   97.4474164  595161404201010 4    19 911 4      C-13-H3C(O)CH3
  439419.9635  0.0622 -5.9894 3  699.5274808  595161404503318 2    503021 2      C-13-H3C(O)CH3
  439421.3012  0.0484 -5.5074 3 1101.5384564  595161404701852 3    701753 3      C-13-H3C(O)CH3
  439421.3012  0.0484 -5.5074 3 1101.5384564  595161404701952 3    701853 3      C-13-H3C(O)CH3
  439421.4883  0.0485 -5.5197 3 1101.5384564  595161404701952 4    701753 4      C-13-H3C(O)CH3
  439421.4883  0.0485 -5.5197 3 1101.5384564  595161404701852 4    701853 4      C-13-H3C(O)CH3
  439430.6567  0.0238 -5.5267 3  447.4012648  595161404402713 1    392812 1      C-13-H3C(O)CH3
  439431.4346  0.0280 -5.9294 3  699.0314776  5951614044840 8 1    4741 6 1      C-13-H3C(O)CH3
  439432.3573  0.0210 -5.3064 3  561.6161712  595161404443312 0    4334 9 0      C-13-H3C(O)CH3
  439432.5764  0.0210 -5.3064 3  561.6161712  595161404443311 0    433410 0      C-13-H3C(O)CH3
  439459.5015  0.0349 -6.3684 3  755.0480428  595161404532825 3    523122 3      C-13-H3C(O)CH3
  439460.5107  0.0427 -6.0693 3  755.0516856  595161404532825 1    523122 1      C-13-H3C(O)CH3
  439472.2854  0.0348 -6.3684 3  755.0476428  595161404532825 4    523122 4      C-13-H3C(O)CH3
  439474.8408  0.0412 -6.0702 3  755.0539856  595161404532825 0    523122 0      C-13-H3C(O)CH3
  439482.7482  0.0363 -6.0682 3  755.0500856  595161404532825 2    523122 2      C-13-H3C(O)CH3
  439487.6134  0.0595 -6.3481 3  699.5221404  595161404503318 4    503021 4      C-13-H3C(O)CH3
  439497.5551  0.0660 -5.1409 3  449.4267840  59516140452 251 0    52 052 0      C-13-H3C(O)CH3
  439497.5551  0.0660 -5.8447 3  449.4267840  59516140452 251 0    52 152 0      C-13-H3C(O)CH3
  439497.5551  0.0660 -5.9597 3  449.4267840  59516140452 151 0    52 052 0      C-13-H3C(O)CH3
  439497.5551  0.0660 -5.1213 3  449.4267840  59516140452 151 0    52 152 0      C-13-H3C(O)CH3
  439510.4209  0.1014 -6.4260 3 1635.7655660  595161404823053 4    822854 4      C-13-H3C(O)CH3
  439510.4209  0.1014 -6.4260 3 1635.7655660  595161404822953 4    822954 4      C-13-H3C(O)CH3
  439510.4632  0.1014 -6.6525 3 1635.7654660  595161404823053 3    822954 3      C-13-H3C(O)CH3
  439510.4632  0.1014 -6.6525 3 1635.7654660  595161404822953 3    822854 3      C-13-H3C(O)CH3
  439544.7769  0.0045 -4.2811 3   97.4233328  595161404201010 2    19 911 2      C-13-H3C(O)CH3
  439548.2671  0.1174 -6.1276 3 1635.7466D20  595161404822953 1    822854 1      C-13-H3C(O)CH3
  439548.2671  0.1174 -6.1276 3 1635.7466D20  595161404823053 1    822954 1      C-13-H3C(O)CH3
  439548.9642  0.0228 -5.3068 3  561.6241712  595161404443311 1    4334 9 1      C-13-H3C(O)CH3
  439550.9553  0.1138 -6.1239 3 1635.7498D20  595161404822953 2    822954 2      C-13-H3C(O)CH3
  439550.9553  0.1138 -6.1239 3 1635.7498D20  595161404823053 2    822854 2      C-13-H3C(O)CH3
  439556.4205  0.0352 -6.2314 3  699.0472388  5951614044840 8 4    4741 6 4      C-13-H3C(O)CH3
  439563.1772  0.0209 -5.3058 3  561.6116712  595161404443312 2    433410 2      C-13-H3C(O)CH3
  439573.4407  0.0273 -5.9286 3  699.0000776  5951614044840 8 0    4741 6 0      C-13-H3C(O)CH3
  439573.4407  0.0273 -5.9286 3  699.0000776  5951614044840 9 0    4741 7 0      C-13-H3C(O)CH3
  439580.4529  0.0385 -5.8565 3  447.4103648  595161404402713 2    392812 2      C-13-H3C(O)CH3
  439588.7490  0.1258 -6.1730 3 1635.7311D20  595161404822953 0    822854 0      C-13-H3C(O)CH3
  439588.7490  0.1258 -6.1730 3 1635.7311D20  595161404823053 0    822954 0      C-13-H3C(O)CH3
  439613.9451  0.0044 -4.2812 3   97.4254328  595161404201010 1    19 911 1      C-13-H3C(O)CH3
  439627.5643  0.0211 -5.3063 3  561.5933712  595161404443312 1    433410 1      C-13-H3C(O)CH3
  439637.3852  0.0062 -4.8091 3   64.7182296  59516140418 513 2    17 414 2      C-13-H3C(O)CH3
  439637.4102  0.0062 -4.8091 3   64.7182296  59516140418 613 2    17 314 2      C-13-H3C(O)CH3
  439647.5235  0.0061 -4.8093 3   64.7188296  59516140418 513 1    17 414 1      C-13-H3C(O)CH3
  439647.5474  0.0061 -4.8093 3   64.7188296  59516140418 613 1    17 314 1      C-13-H3C(O)CH3
  439652.7231  0.0075 -4.1079 3  222.2665236  595161404291713 4    281612 4      C-13-H3C(O)CH3
  439658.9873  0.0068 -6.6372 3  145.2692408  59516140425 916 0    25 619 0      C-13-H3C(O)CH3
  439659.0566  0.0068 -6.6372 3  145.2692408  595161404251016 0    25 719 0      C-13-H3C(O)CH3
  439669.2945  0.0091 -4.1080 3  222.2660236  595161404291713 3    281612 3      C-13-H3C(O)CH3
  439677.7544  0.0243 -5.6071 3  561.6196356  595161404443311 3    4334 9 3      C-13-H3C(O)CH3
  439697.0853  0.0290 -5.9295 3  699.0161776  5951614044840 8 2    4741 6 2      C-13-H3C(O)CH3
  439701.9471  0.0321 -5.9291 3  698.9939776  5951614044840 9 1    4741 7 1      C-13-H3C(O)CH3
  439722.0723  0.0073 -3.8071 3  222.2825472 -595161404291713 1    281612 1      C-13-H3C(O)CH3
  439738.1279  0.0272 -6.5068 3  159.5442196  5951614042418 7 4    2317 6 4      C-13-H3C(O)CH3
  439738.3642  0.0225 -5.3062 3  561.6328712  595161404443311 2    4334 9 2      C-13-H3C(O)CH3
  439748.0813  0.0741 -6.1996 3  724.5642412  595161404513319 3    513022 3      C-13-H3C(O)CH3
  439757.0900  0.0223 -5.6067 3  561.5887356  595161404443312 4    433410 4      C-13-H3C(O)CH3
  439760.4251  0.0045 -4.2805 3   97.4015328  595161404201010 0    19 911 0      C-13-H3C(O)CH3
  439783.0986  0.0054 -3.5103 3  153.1768180 -5951614042222 0 4    2121 0 4      C-13-H3C(O)CH3
  439804.8838  0.0345 -6.2302 3  699.0283388  5951614044840 8 3    4741 6 3      C-13-H3C(O)CH3
  439826.8224  0.0373 -6.2310 3  699.0099388  5951614044840 9 3    4741 7 3      C-13-H3C(O)CH3
  439830.0169  0.0507 -5.1413 3 1059.5248B12  595161404691852 0    691653 0      C-13-H3C(O)CH3
  439830.0169  0.0507 -5.1413 3 1059.5248B12  595161404691752 0    691753 0      C-13-H3C(O)CH3
  439854.3678  0.0277 -5.6076 3  561.6407356  595161404443311 4    4334 9 4      C-13-H3C(O)CH3
  439927.5884  0.0606 -5.3796 3 1059.5249B12  595161404691852 1    691753 1      C-13-H3C(O)CH3
  439927.5884  0.0606 -5.5135 3 1059.5249B12  595161404691852 1    691653 1      C-13-H3C(O)CH3
  439927.5884  0.0606 -5.5135 3 1059.5249B12  595161404691752 1    691753 1      C-13-H3C(O)CH3
  439927.5884  0.0606 -5.3796 3 1059.5249B12  595161404691752 1    691653 1      C-13-H3C(O)CH3
  439929.4432  0.0961 -6.5643 3  622.4232380  595161404473215 4    472919 4      C-13-H3C(O)CH3
  439930.3660  0.0614 -5.1716 3 1059.5249B12  595161404691752 2    691753 2      C-13-H3C(O)CH3
  439930.3660  0.0614 -5.1439 3 1059.5249B12  595161404691852 2    691653 2      C-13-H3C(O)CH3
  439930.3660  0.0614 -6.2994 3 1059.5249B12  595161404691752 2    691653 2      C-13-H3C(O)CH3
  439931.6211  0.0236 -5.6071 3  561.6100356  595161404443312 3    433410 3      C-13-H3C(O)CH3
  439942.1701  0.0027 -3.6711 3  317.1469324 -59516140440 734 4    39 733 4      C-13-H3C(O)CH3
  439942.1701  0.0027 -3.9452 3  317.1469324 -59516140440 634 3    39 733 3      C-13-H3C(O)CH3
  439942.1701  0.0027 -3.6711 3  317.1469324 -59516140440 634 4    39 633 4      C-13-H3C(O)CH3
  439942.1701  0.0027 -3.9452 3  317.1469324 -59516140440 734 3    39 633 3      C-13-H3C(O)CH3
  439942.2093  0.0027 -6.0777 3  317.1469324  59516140440 734 4    39 633 4      C-13-H3C(O)CH3
  439942.2093  0.0027 -6.0777 3  317.1469324  59516140440 634 4    39 733 4      C-13-H3C(O)CH3
  439942.2576  0.0027 -3.9973 3  317.1469324  59516140440 734 3    39 733 3      C-13-H3C(O)CH3
  439942.2576  0.0027 -3.9973 3  317.1469324  59516140440 634 3    39 633 3      C-13-H3C(O)CH3
  439945.6535  0.0296 -5.9283 3  698.9970776  5951614044840 9 2    4741 7 2      C-13-H3C(O)CH3
  439965.8534  0.0068 -3.8072 3  222.2689472 -595161404291713 2    281612 2      C-13-H3C(O)CH3
  439982.3061  0.0031 -4.9675 3  317.1553648 -59516140440 734 1    39 733 1      C-13-H3C(O)CH3
  439982.3061  0.0031 -4.9675 3  317.1553648 -59516140440 634 1    39 633 1      C-13-H3C(O)CH3
  439982.3401  0.0031 -3.3795 3  317.1553648  59516140440 634 1    39 733 1      C-13-H3C(O)CH3
  439982.3401  0.0031 -3.3795 3  317.1553648  59516140440 734 1    39 633 1      C-13-H3C(O)CH3
  439982.5781  0.0049 -3.5098 3  153.1158180 -5951614042222 1 3    2121 1 3      C-13-H3C(O)CH3
  439982.8602  0.0031 -3.4056 3  317.1547648 -59516140440 734 2    39 633 2      C-13-H3C(O)CH3
  439982.8602  0.0031 -3.4056 3  317.1547648 -59516140440 634 2    39 733 2      C-13-H3C(O)CH3
  439982.9111  0.0031 -4.4542 3  317.1547648  59516140440 634 2    39 633 2      C-13-H3C(O)CH3
  439982.9111  0.0031 -4.4542 3  317.1547648  59516140440 734 2    39 733 2      C-13-H3C(O)CH3
  440016.2073  0.0134 -5.6242 3  396.1846616  595161404382415 2    372513 2      C-13-H3C(O)CH3
  440019.6375  0.0158 -6.2073 3  396.1650308  595161404382415 3    372513 3      C-13-H3C(O)CH3
  440021.6371  0.0061 -4.8079 3   64.6696296  59516140418 513 0    17 414 0      C-13-H3C(O)CH3
  440021.6549  0.0063 -3.8074 3  222.2852472 -595161404291713 0    281612 0      C-13-H3C(O)CH3
  440021.6622  0.0061 -4.8079 3   64.6696296  59516140418 613 0    17 314 0      C-13-H3C(O)CH3
  440022.9197  0.0025 -3.5959 3  317.1631648  59516140440 734 0    39 633 0      C-13-H3C(O)CH3
  440022.9197  0.0025 -3.5959 3  317.1631648  59516140440 634 0    39 733 0      C-13-H3C(O)CH3
  440022.9288  0.0025 -3.7579 3  317.1631648 -59516140440 634 0    39 633 0      C-13-H3C(O)CH3
  440022.9288  0.0025 -3.7579 3  317.1631648 -59516140440 734 0    39 733 0      C-13-H3C(O)CH3
  440028.0661  0.0454 -5.7681 3 1059.5249556  595161404691752 3    691753 3      C-13-H3C(O)CH3
  440028.0661  0.0454 -5.7681 3 1059.5249556  595161404691852 3    691653 3      C-13-H3C(O)CH3
  440028.0661  0.0454 -5.7177 3 1059.5249556  595161404691852 3    691753 3      C-13-H3C(O)CH3
  440028.0661  0.0454 -5.7177 3 1059.5249556  595161404691752 3    691653 3      C-13-H3C(O)CH3
  440028.2634  0.0455 -6.0158 3 1059.5249556  595161404691752 4    691653 4      C-13-H3C(O)CH3
  440028.2634  0.0455 -5.5756 3 1059.5249556  595161404691752 4    691753 4      C-13-H3C(O)CH3
  440028.2634  0.0455 -6.0158 3 1059.5249556  595161404691852 4    691753 4      C-13-H3C(O)CH3
  440028.2634  0.0455 -5.5756 3 1059.5249556  595161404691852 4    691653 4      C-13-H3C(O)CH3
  440041.0528  0.0048 -3.2088 3  153.1941360 -5951614042222 0 1    2121 0 1      C-13-H3C(O)CH3
  440047.3692  0.0050 -3.5097 3  153.1286180 -5951614042222 0 3    2121 0 3      C-13-H3C(O)CH3
  440047.3692  0.0047 -3.2088 3  153.2127360 -5951614042222 0 2    2121 0 2      C-13-H3C(O)CH3
  440067.8655  0.0121 -5.8172 3  430.9728648  595161404402318 0    402021 0      C-13-H3C(O)CH3
  440073.8461  0.0389 -6.2299 3  698.9909388  5951614044840 9 4    4741 7 4      C-13-H3C(O)CH3
  440086.0308  0.0215 -6.4858 3  307.1395520  5951614043227 6 1    3224 8 1      C-13-H3C(O)CH3
  440099.4159  0.0145 -5.8172 3  430.9449648  595161404402318 2    402021 2      C-13-H3C(O)CH3
  440141.5980  0.0689 -6.5026 3  928.4223952  595161404593029 0    583326 0      C-13-H3C(O)CH3
  440151.7286  0.0159 -5.7632 3  396.1599308  595161404382415 4    372513 4      C-13-H3C(O)CH3
  440158.1026  0.0097 -6.4791 3  396.1815616  595161404382415 1    372513 1      C-13-H3C(O)CH3
  440165.1458  0.0131 -5.8169 3  430.9481648  595161404402318 1    402021 1      C-13-H3C(O)CH3
  440196.4131  0.0151 -6.1178 3  430.9201324  595161404402318 4    402021 4      C-13-H3C(O)CH3
  440197.8729  0.0150 -6.1178 3  430.9202324  595161404402318 3    402021 3      C-13-H3C(O)CH3
  440222.3794  0.0458 -6.4579 3  447.3817324  595161404402713 4    392812 4      C-13-H3C(O)CH3
  440237.3615  0.0705 -6.5009 3  928.4275952  595161404593029 1    583326 1      C-13-H3C(O)CH3
  440245.0491  0.0046 -4.0667 3  236.6865244  595161404301714 4    291613 4      C-13-H3C(O)CH3
  440246.2679  0.0051 -3.5092 3  153.0677180 -5951614042222 1 4    2121 1 4      C-13-H3C(O)CH3
  440246.5068  0.0046 -3.2083 3  153.1516360 -5951614042222 1 2    2121 1 2      C-13-H3C(O)CH3
  440248.1722  0.0751 -6.5005 3  928.4281952  595161404593029 2    583326 2      C-13-H3C(O)CH3
  440255.2153  0.0062 -4.0668 3  236.6862244  595161404301714 3    291613 3      C-13-H3C(O)CH3
  440281.4604  0.0079 -6.0563 3   45.9791140  59516140417 215 3    16 116 3      C-13-H3C(O)CH3
  440281.4604  0.0079 -6.0563 3   45.9791140  59516140417 315 3    16 016 3      C-13-H3C(O)CH3
  440281.9964  0.0094 -6.0674 3   45.9791140  59516140417 315 4    16 016 4      C-13-H3C(O)CH3
  440281.9964  0.0094 -6.0674 3   45.9791140  59516140417 215 4    16 116 4      C-13-H3C(O)CH3
  440292.3232  0.0050 -3.7658 3  236.7056488 -595161404301714 1    291613 1      C-13-H3C(O)CH3
  440295.9663  0.0215 -6.4857 3  307.1467520  5951614043227 6 2    3224 9 2      C-13-H3C(O)CH3
  440305.2216  0.0047 -3.2082 3  153.1458360 -5951614042222 1 1    2121 1 1      C-13-H3C(O)CH3
  440305.6931  0.0047 -3.2083 3  153.2299360 -5951614042222 1 0    2121 0 0      C-13-H3C(O)CH3
  440305.6931  0.0047 -3.2083 3  153.2299360 -5951614042222 0 0    2121 1 0      C-13-H3C(O)CH3
  440315.2270  0.0775 -6.2107 3  699.5226404  595161404503318 3    503021 3      C-13-H3C(O)CH3
  440350.0868  0.0207 -6.4901 3  307.1493520  5951614043227 5 2    3224 8 2      C-13-H3C(O)CH3
  440352.8663  0.0128 -6.6613 3  243.7235488  595161404301911 2    301416 2      C-13-H3C(O)CH3
  440370.1711  0.0118 -6.6589 3  243.7430488  595161404301911 0    301416 0      C-13-H3C(O)CH3
  440371.0819  0.0092 -5.9582 3  302.1145552  595161404341717 2    341420 2      C-13-H3C(O)CH3
  440385.6844  0.0097 -6.2593 3  302.0917276  595161404341717 3    341420 3      C-13-H3C(O)CH3
  440386.0818  0.0100 -6.2593 3  302.0917276  595161404341717 4    341420 4      C-13-H3C(O)CH3
  440395.1896  0.0451 -5.5129 3 1018.0995A96  595161404681652 0    681553 0      C-13-H3C(O)CH3
  440395.1896  0.0451 -5.2767 3 1018.0995A96  595161404681652 0    681653 0      C-13-H3C(O)CH3
  440395.1896  0.0451 -5.5129 3 1018.0995A96  595161404681752 0    681653 0      C-13-H3C(O)CH3
  440395.1896  0.0451 -5.2767 3 1018.0995A96  595161404681752 0    681553 0      C-13-H3C(O)CH3
  440409.9529  0.0926 -6.4925 3 1586.8649652  595161404812853 4    812754 4      C-13-H3C(O)CH3
  440409.9529  0.0926 -6.4925 3 1586.8649652  595161404812953 4    812854 4      C-13-H3C(O)CH3
  440409.9803  0.0926 -6.6461 3 1586.8649652  595161404812953 3    812854 3      C-13-H3C(O)CH3
  440409.9803  0.0926 -6.6461 3 1586.8649652  595161404812853 3    812754 3      C-13-H3C(O)CH3
  440409.9803  0.0926 -6.6275 3 1586.8649652  595161404812953 3    812754 3      C-13-H3C(O)CH3
  440409.9803  0.0926 -6.6275 3 1586.8649652  595161404812853 3    812854 3      C-13-H3C(O)CH3
  440424.5956  0.0082 -5.9572 3  302.1397552  595161404341717 0    341420 0      C-13-H3C(O)CH3
  440438.0492  0.0047 -3.7662 3  236.6951488 -595161404301714 2    291613 2      C-13-H3C(O)CH3
  440439.0559  0.0091 -5.9576 3  302.1170552  595161404341717 1    341420 1      C-13-H3C(O)CH3
  440441.4060  0.1017 -6.0450 3 1586.8445D04  595161404812853 1    812754 1      C-13-H3C(O)CH3
  440441.4060  0.1017 -6.0450 3 1586.8445D04  595161404812953 1    812854 1      C-13-H3C(O)CH3
  440445.3226  0.1011 -6.1121 3 1586.8474D04  595161404812953 2    812754 2      C-13-H3C(O)CH3
  440445.3226  0.1011 -6.1121 3 1586.8474D04  595161404812853 2    812854 2      C-13-H3C(O)CH3
  440465.5166  0.0509 -6.2826 3  839.6066904  595161404562927 0    553224 0      C-13-H3C(O)CH3
  440476.7504  0.1099 -6.0440 3 1586.8270D04  595161404812953 0    812854 0      C-13-H3C(O)CH3
  440476.7504  0.1099 -6.0440 3 1586.8270D04  595161404812853 0    812754 0      C-13-H3C(O)CH3
  440477.2737  0.0043 -3.7663 3  236.7144488 -595161404301714 0    291613 0      C-13-H3C(O)CH3
  440501.8192  0.0540 -5.4540 3 1018.0947A96  595161404681752 1    681553 1      C-13-H3C(O)CH3
  440501.8192  0.0540 -5.4540 3 1018.0947A96  595161404681652 1    681653 1      C-13-H3C(O)CH3
  440501.8192  0.0540 -5.3144 3 1018.0947A96  595161404681752 1    681653 1      C-13-H3C(O)CH3
  440501.8192  0.0540 -5.3144 3 1018.0947A96  595161404681652 1    681553 1      C-13-H3C(O)CH3
  440503.8749  0.0544 -5.0886 3 1018.0946A96  595161404681752 2    681553 2      C-13-H3C(O)CH3
  440503.8749  0.0544 -5.0886 3 1018.0946A96  595161404681652 2    681653 2      C-13-H3C(O)CH3
  440531.0244  0.0533 -6.2811 3  839.6077904  595161404562927 1    553224 1      C-13-H3C(O)CH3
  440534.6140  0.0128 -6.6631 3  243.7273488  595161404301911 1    301416 1      C-13-H3C(O)CH3
  440550.2344  0.0218 -6.4834 3  307.1290520  5951614043227 5 1    3224 9 1      C-13-H3C(O)CH3
  440550.5542  0.0092 -5.9579 3  302.1145552  595161404341817 2    341520 2      C-13-H3C(O)CH3
  440556.0811  0.0524 -6.2803 3  839.6070904  595161404562927 2    553224 2      C-13-H3C(O)CH3
  440564.2273  0.0095 -6.2590 3  302.0918276  595161404341817 3    341520 3      C-13-H3C(O)CH3
  440564.2450  0.0099 -6.2590 3  302.0917276  595161404341817 4    341520 4      C-13-H3C(O)CH3
  440574.6195  0.0078 -6.3255 3   54.2114248  5951614041511 5 1    14 6 8 1      C-13-H3C(O)CH3
  440599.3998  0.0082 -5.9569 3  302.1397552  595161404341817 0    341520 0      C-13-H3C(O)CH3
  440610.6381  0.0425 -6.4746 3 1018.0897548  595161404681752 3    681653 3      C-13-H3C(O)CH3
  440610.6381  0.0425 -5.4146 3 1018.0897548  595161404681752 3    681553 3      C-13-H3C(O)CH3
  440610.6381  0.0425 -5.3880 3 1018.0897548  595161404681652 3    681653 3      C-13-H3C(O)CH3
  440610.8375  0.0425 -5.6594 3 1018.0897548  595161404681652 4    681553 4      C-13-H3C(O)CH3
  440610.8375  0.0425 -5.7004 3 1018.0897548  595161404681752 4    681553 4      C-13-H3C(O)CH3
  440610.8375  0.0425 -5.6594 3 1018.0897548  595161404681752 4    681653 4      C-13-H3C(O)CH3
  440610.8375  0.0425 -5.7004 3 1018.0897548  595161404681652 4    681653 4      C-13-H3C(O)CH3
  440612.8985  0.0091 -5.9573 3  302.1170552  595161404341817 1    341520 1      C-13-H3C(O)CH3
  440613.7450  0.0053 -6.5312 3   54.2538124  5951614041511 5 3    14 6 8 3      C-13-H3C(O)CH3
  440618.0243  0.0547 -6.5799 3  839.6082452  595161404562927 3    553224 3      C-13-H3C(O)CH3
  440622.1759  0.0551 -6.5799 3  839.6081452  595161404562927 4    553224 4      C-13-H3C(O)CH3
  440708.8896  0.0217 -6.4871 3  307.1707520  5951614043227 5 0    3224 8 0      C-13-H3C(O)CH3
  440716.1856  0.0217 -6.4871 3  307.1705520  5951614043227 6 0    3224 9 0      C-13-H3C(O)CH3
  440763.3165  0.0446 -5.8192 3  645.1737792  595161404492723 0    482820 0      C-13-H3C(O)CH3
  440774.8045  0.0105 -5.7461 3   45.9068280  59516140417 315 2    16 016 2      C-13-H3C(O)CH3
  440774.8045  0.0105 -5.7461 3   45.9068280  59516140417 215 2    16 116 2      C-13-H3C(O)CH3
  440776.4439  0.0105 -5.7470 3   45.9073280  59516140417 215 1    16 116 1      C-13-H3C(O)CH3
  440776.4439  0.0105 -5.7470 3   45.9073280  59516140417 315 1    16 016 1      C-13-H3C(O)CH3
  440811.4893  0.0083 -6.3146 3   54.2096248  5951614041511 5 2    14 6 8 2      C-13-H3C(O)CH3
  440876.2740  0.0106 -5.0262 3  392.3697308  595161404382316 4    372413 4      C-13-H3C(O)CH3
  440906.3001  0.0090 -5.0238 3  392.3689308  595161404382316 3    372413 3      C-13-H3C(O)CH3
  440923.0581  0.0093 -4.7232 3  392.3890616  595161404382316 2    372413 2      C-13-H3C(O)CH3
  440934.5521  0.0056 -4.5814 3   97.4458164  595161404201110 4    19 811 4      C-13-H3C(O)CH3
  440937.5029  0.0040 -4.5814 3   97.4457164  595161404201110 3    19 811 3      C-13-H3C(O)CH3
  440942.5826  0.0394 -5.0708 3  977.2538A80  595161404671652 0    671453 0      C-13-H3C(O)CH3
  440942.5826  0.0394 -5.9590 3  977.2538A80  595161404671552 0    671453 0      C-13-H3C(O)CH3
  440942.5826  0.0394 -5.0708 3  977.2538A80  595161404671552 0    671553 0      C-13-H3C(O)CH3
  440942.5826  0.0394 -5.9590 3  977.2538A80  595161404671652 0    671553 0      C-13-H3C(O)CH3
  440975.0336  0.0324 -6.1697 3  549.9084712  595161404443114 1    442817 1      C-13-H3C(O)CH3
  440991.6411  0.0198 -5.8072 3  553.1102728  595161404452719 0    452422 0      C-13-H3C(O)CH3
  441028.4304  0.0026 -3.6523 3  322.0625332 -59516140441 536 3    40 535 3      C-13-H3C(O)CH3
  441028.4304  0.0026 -3.6879 3  322.0625332 -59516140441 636 4    40 535 4      C-13-H3C(O)CH3
  441028.4304  0.0026 -3.6523 3  322.0625332 -59516140441 636 3    40 635 3      C-13-H3C(O)CH3
  441028.4304  0.0026 -3.6879 3  322.0625332 -59516140441 536 4    40 635 4      C-13-H3C(O)CH3
  441028.5279  0.0026 -4.7159 3  322.0625332  59516140441 536 4    40 535 4      C-13-H3C(O)CH3
  441028.5279  0.0026 -4.7159 3  322.0625332  59516140441 636 4    40 635 4      C-13-H3C(O)CH3
  441028.5615  0.0026 -5.7729 3  322.0625332  59516140441 636 3    40 535 3      C-13-H3C(O)CH3
  441028.5615  0.0026 -5.7729 3  322.0625332  59516140441 536 3    40 635 3      C-13-H3C(O)CH3
  441050.9622  0.0071 -4.7231 3  392.3896616  595161404382316 1    372413 1      C-13-H3C(O)CH3
  441055.1366  0.0470 -5.0355 3  977.2440A80  595161404671552 1    671453 1      C-13-H3C(O)CH3
  441055.1366  0.0470 -5.0355 3  977.2440A80  595161404671652 1    671553 1      C-13-H3C(O)CH3
  441055.1366  0.0470 -6.4131 3  977.2440A80  595161404671652 1    671453 1      C-13-H3C(O)CH3
  441055.1366  0.0470 -6.4131 3  977.2440A80  595161404671552 1    671553 1      C-13-H3C(O)CH3
  441056.5282  0.0471 -5.0587 3  977.2439A80  595161404671652 2    671453 2      C-13-H3C(O)CH3
  441056.5282  0.0471 -6.0631 3  977.2439A80  595161404671552 2    671453 2      C-13-H3C(O)CH3
  441056.5282  0.0471 -5.0587 3  977.2439A80  595161404671552 2    671553 2      C-13-H3C(O)CH3
  441056.5282  0.0471 -6.0631 3  977.2439A80  595161404671652 2    671553 2      C-13-H3C(O)CH3
  441068.1558  0.0031 -3.4423 3  322.0651664  59516140441 536 1    40 635 1      C-13-H3C(O)CH3
  441068.1558  0.0031 -4.0571 3  322.0651664  59516140441 636 1    40 635 1      C-13-H3C(O)CH3
  441068.3400  0.0031 -4.5748 3  322.0646664 -59516140441 536 2    40 635 2      C-13-H3C(O)CH3
  441068.3400  0.0031 -4.5748 3  322.0646664 -59516140441 636 2    40 535 2      C-13-H3C(O)CH3
  441068.3400  0.0031 -4.0571 3  322.0651664 -59516140441 536 1    40 535 1      C-13-H3C(O)CH3
  441068.3400  0.0031 -3.4423 3  322.0651664 -59516140441 636 1    40 535 1      C-13-H3C(O)CH3
  441068.5466  0.0031 -3.3745 3  322.0646664  59516140441 536 2    40 535 2      C-13-H3C(O)CH3
  441068.5466  0.0031 -3.3745 3  322.0646664  59516140441 636 2    40 635 2      C-13-H3C(O)CH3
  441085.8416  0.0064 -4.7223 3  392.4091616  595161404382316 0    372413 0      C-13-H3C(O)CH3
  441089.1159  0.0217 -5.8068 3  553.0894728  595161404452719 2    452422 2      C-13-H3C(O)CH3
  441092.8816  0.0439 -6.4336 3  549.8965356  595161404443114 4    442817 4      C-13-H3C(O)CH3
  441108.0598  0.0025 -4.7338 3  322.0673664 -59516140441 536 0    40 535 0      C-13-H3C(O)CH3
  441108.0598  0.0025 -3.3661 3  322.0673664 -59516140441 636 0    40 535 0      C-13-H3C(O)CH3
  441108.0647  0.0025 -4.7338 3  322.0673664  59516140441 636 0    40 635 0      C-13-H3C(O)CH3
  441108.0647  0.0025 -3.3661 3  322.0673664  59516140441 536 0    40 635 0      C-13-H3C(O)CH3
  441109.1763  0.0212 -5.8066 3  553.0924728  595161404452719 1    452422 1      C-13-H3C(O)CH3
  441114.9475  0.0398 -5.8165 3  645.1519792  595161404492723 1    482820 1      C-13-H3C(O)CH3
  441133.0427  0.0040 -4.2798 3   97.4217328  595161404201110 2    19 811 2      C-13-H3C(O)CH3
  441153.9526  0.0310 -5.9158 3  549.9185712  595161404443114 0    442817 0      C-13-H3C(O)CH3
  441166.4553  0.0183 -5.7057 3  159.5326392  5951614042418 7 1    2317 6 1      C-13-H3C(O)CH3
  441166.5215  0.0039 -4.2798 3   97.4238328  595161404201110 1    19 811 1      C-13-H3C(O)CH3
  441169.2176  0.0395 -5.5613 3  977.2340540  595161404671552 3    671553 3      C-13-H3C(O)CH3
  441169.2176  0.0395 -5.6867 3  977.2340540  595161404671652 3    671553 3      C-13-H3C(O)CH3
  441169.2176  0.0395 -5.5613 3  977.2340540  595161404671652 3    671453 3      C-13-H3C(O)CH3
  441169.2176  0.0395 -5.6867 3  977.2340540  595161404671552 3    671453 3      C-13-H3C(O)CH3
  441169.4086  0.0396 -6.2584 3  977.2340540  595161404671652 4    671553 4      C-13-H3C(O)CH3
  441169.4086  0.0396 -6.2584 3  977.2340540  595161404671552 4    671453 4      C-13-H3C(O)CH3
  441169.4086  0.0396 -5.3714 3  977.2340540  595161404671552 4    671553 4      C-13-H3C(O)CH3
  441169.4086  0.0396 -5.3714 3  977.2340540  595161404671652 4    671453 4      C-13-H3C(O)CH3
  441170.9310  0.0275 -5.7273 3  661.0734760  5951614044738 9 1    4639 7 1      C-13-H3C(O)CH3
  441201.3451  0.0218 -6.1072 3  553.0716364  595161404452719 4    452422 4      C-13-H3C(O)CH3
  441213.7140  0.0213 -6.1072 3  553.0716364  595161404452719 3    452422 3      C-13-H3C(O)CH3
  441217.7691  0.0267 -5.7266 3  661.0492760  5951614044738 9 0    4639 8 0      C-13-H3C(O)CH3
  441217.7691  0.0267 -5.7266 3  661.0492760  595161404473810 0    4639 7 0      C-13-H3C(O)CH3
  441227.9809  0.0386 -6.1566 3  549.9088712  595161404443114 2    442817 2      C-13-H3C(O)CH3
  441268.6298  0.0105 -5.7435 3   45.8351280  59516140417 315 0    16 016 0      C-13-H3C(O)CH3
  441268.6298  0.0105 -5.7422 3   45.8351280  59516140417 215 0    16 116 0      C-13-H3C(O)CH3
  441278.4276  0.0854 -6.2882 3 1538.5308644  595161404802753 4    802754 4      C-13-H3C(O)CH3
  441278.4276  0.0854 -6.2882 3 1538.5308644  595161404802853 4    802654 4      C-13-H3C(O)CH3
  441278.4380  0.0854 -6.3052 3 1538.5307644  595161404802853 3    802754 3      C-13-H3C(O)CH3
  441278.4380  0.0854 -6.3052 3 1538.5307644  595161404802753 3    802654 3      C-13-H3C(O)CH3
  441302.0788  0.0907 -6.0336 3 1538.5091C88  595161404802753 1    802654 1      C-13-H3C(O)CH3
  441302.0788  0.0907 -6.0336 3 1538.5091C88  595161404802853 1    802754 1      C-13-H3C(O)CH3
  441306.9882  0.0924 -5.9894 3 1538.5117C88  595161404802853 2    802654 2      C-13-H3C(O)CH3
  441306.9882  0.0924 -5.9894 3 1538.5117C88  595161404802753 2    802754 2      C-13-H3C(O)CH3
  441330.6435  0.0975 -6.4794 3 1538.4901C88  595161404802853 0    802654 0      C-13-H3C(O)CH3
  441330.6435  0.0975 -6.0977 3 1538.4901C88  595161404802853 0    802754 0      C-13-H3C(O)CH3
  441330.6435  0.0975 -6.0977 3 1538.4901C88  595161404802753 0    802654 0      C-13-H3C(O)CH3
  441330.6435  0.0975 -6.4794 3 1538.4901C88  595161404802753 0    802754 0      C-13-H3C(O)CH3
  441333.2172  0.1113 -6.6234 3  699.5274808  595161404503317 2    503021 2      C-13-H3C(O)CH3
  441354.9564  0.0781 -5.8141 3  645.1416792  595161404492723 2    482820 2      C-13-H3C(O)CH3
  441363.1323  0.0041 -4.2792 3   97.3998328  595161404201110 0    19 811 0      C-13-H3C(O)CH3
  441401.7524  0.0324 -6.0288 3  661.0891380  5951614044738 9 4    4639 7 4      C-13-H3C(O)CH3
  441402.4343  0.0299 -5.7268 3  661.0374760  595161404473810 1    4639 8 1      C-13-H3C(O)CH3
  441446.9917  0.0269 -5.7271 3  661.0650760  5951614044738 9 2    4639 7 2      C-13-H3C(O)CH3
  441474.1218  0.0336 -5.2961 3  936.9886A64  595161404661452 0    661453 0      C-13-H3C(O)CH3
  441474.1218  0.0336 -5.2309 3  936.9886A64  595161404661552 0    661453 0      C-13-H3C(O)CH3
  441474.1218  0.0336 -4.9841 3  936.9886A64  595161404661552 0    661353 0      C-13-H3C(O)CH3
  441474.1218  0.0336 -6.2502 3  936.9886A64  595161404661452 0    661353 0      C-13-H3C(O)CH3
  441477.0753  0.0038 -3.6078 3  155.4657188 -5951614042320 3 4    2219 3 4      C-13-H3C(O)CH3
  441513.1430  0.0321 -6.0278 3  661.0720380  5951614044738 9 3    4639 7 3      C-13-H3C(O)CH3
  441549.4611  0.0191 -5.5195 3  159.5341392  5951614042418 7 2    2317 6 2      C-13-H3C(O)CH3
  441559.6061  0.0274 -5.7261 3  661.0478760  595161404473810 2    4639 8 2      C-13-H3C(O)CH3
  441588.5428  0.0400 -5.5684 3  936.9738A64  595161404661552 1    661353 1      C-13-H3C(O)CH3
  441588.5428  0.0400 -5.0840 3  936.9738A64  595161404661552 1    661453 1      C-13-H3C(O)CH3
  441588.5428  0.0400 -5.5684 3  936.9738A64  595161404661452 1    661453 1      C-13-H3C(O)CH3
  441588.5428  0.0400 -5.0840 3  936.9738A64  595161404661452 1    661353 1      C-13-H3C(O)CH3
  441589.3619  0.0399 -5.0415 3  936.9736A64  595161404661552 2    661453 2      C-13-H3C(O)CH3
  441589.3619  0.0399 -5.7319 3  936.9736A64  595161404661552 2    661353 2      C-13-H3C(O)CH3
  441589.3619  0.0399 -5.0415 3  936.9736A64  595161404661452 2    661353 2      C-13-H3C(O)CH3
  441589.3619  0.0399 -5.7319 3  936.9736A64  595161404661452 2    661453 2      C-13-H3C(O)CH3
  441615.1649  0.0033 -3.6076 3  155.4085188  5951614042320 4 3    2219 3 3      C-13-H3C(O)CH3
  441632.1144  0.0337 -6.0284 3  661.0532380  595161404473810 3    4639 8 3      C-13-H3C(O)CH3
  441657.8546  0.0156 -5.2347 3  475.4505680  595161404422419 0    412516 0      C-13-H3C(O)CH3
  441672.5572  0.0035 -3.6073 3  155.4080188 -5951614042320 3 3    2219 4 3      C-13-H3C(O)CH3
  441673.7935  0.0168 -5.2338 3  475.4300680  595161404422419 1    412516 1      C-13-H3C(O)CH3
  441695.4145  0.0032 -3.3062 3  155.4633376 -5951614042320 3 1    2219 3 1      C-13-H3C(O)CH3
  441699.6922  0.0031 -4.0344 3  251.3716252  595161404311615 3    301714 3      C-13-H3C(O)CH3
  441700.9437  0.0777 -6.1125 3  645.1199396  595161404492723 4    482820 4      C-13-H3C(O)CH3
  441701.7164  0.0027 -4.0344 3  251.3715252  595161404311615 4    301714 4      C-13-H3C(O)CH3
  441703.9163  0.0367 -5.2666 3  936.9587532  595161404661552 3    661353 3      C-13-H3C(O)CH3
  441703.9163  0.0367 -5.2666 3  936.9587532  595161404661452 3    661453 3      C-13-H3C(O)CH3
  441704.0858  0.0367 -5.2941 3  936.9587532  595161404661552 4    661453 4      C-13-H3C(O)CH3
  441704.0858  0.0367 -5.2941 3  936.9587532  595161404661452 4    661353 4      C-13-H3C(O)CH3
  441704.0858  0.0367 -6.4039 3  936.9587532  595161404661452 4    661453 4      C-13-H3C(O)CH3
  441704.0858  0.0367 -6.4039 3  936.9587532  595161404661552 4    661353 4      C-13-H3C(O)CH3
  441712.1672  0.0773 -6.1124 3  645.1196396  595161404492723 3    482820 3      C-13-H3C(O)CH3
  441739.2102  0.0033 -3.3061 3  155.4764376 -5951614042320 3 2    2219 3 2      C-13-H3C(O)CH3
  441743.1215  0.0340 -6.0274 3  661.0360380  595161404473810 4    4639 8 4      C-13-H3C(O)CH3
  441743.7113  0.0057 -6.2245 3   54.1673248  5951614041511 5 0    14 6 8 0      C-13-H3C(O)CH3
  441749.9756  0.0758 -6.4990 3  928.3690952  595161404593129 0    583226 0      C-13-H3C(O)CH3
  441757.6838  0.0029 -3.7338 3  251.3866504 -595161404311615 2    301714 2      C-13-H3C(O)CH3
  441760.0088  0.0085 -5.1679 3  411.4292316  595161404392317 4    382414 4      C-13-H3C(O)CH3
  441770.7171  0.0029 -3.7333 3  251.3921504 -595161404311615 1    301714 1      C-13-H3C(O)CH3
  441772.1627  0.0103 -5.1674 3  411.4290316  595161404392317 3    382414 3      C-13-H3C(O)CH3
  441782.8792  0.0086 -4.8692 3  411.4552632  595161404392317 1    382414 1      C-13-H3C(O)CH3
  441810.2032  0.0031 -3.6070 3  155.3509188 -5951614042320 4 4    2219 4 4      C-13-H3C(O)CH3
  441828.4229  0.0026 -3.7338 3  251.4072504 -595161404311615 0    301714 0      C-13-H3C(O)CH3
  441839.8780  0.0479 -6.4562 3  549.9007356  595161404443114 3    442817 3      C-13-H3C(O)CH3
  441844.8053  0.0084 -4.8658 3  411.4476632  595161404392317 2    382414 2      C-13-H3C(O)CH3
  441846.2896  0.0396 -6.2697 3  549.9084712  595161404443113 1    442817 1      C-13-H3C(O)CH3
  441862.2601  0.0074 -4.8685 3  411.4736632  595161404392317 0    382414 0      C-13-H3C(O)CH3
  441876.3912  0.0031 -3.3058 3  155.4192376 -5951614042320 4 2    2219 4 2      C-13-H3C(O)CH3
  441889.8435  0.0030 -3.3057 3  155.4056376 -5951614042320 4 1    2219 4 1      C-13-H3C(O)CH3
  441924.1069  0.0745 -6.4970 3  928.3716952  595161404593129 1    583226 1      C-13-H3C(O)CH3
  441928.0175  0.0984 -6.4967 3  928.3724952  595161404593129 2    583226 2      C-13-H3C(O)CH3
  441956.7981  0.0031 -3.3055 3  155.4739376 -5951614042320 4 0    2219 3 0      C-13-H3C(O)CH3
  441956.7981  0.0031 -3.3055 3  155.4739376 -5951614042320 3 0    2219 4 0      C-13-H3C(O)CH3
  441965.1897  0.0248 -5.2289 3  475.4154680  595161404422419 2    412516 2      C-13-H3C(O)CH3
  441973.4023  0.0262 -5.5292 3  475.3950340  595161404422419 4    412516 4      C-13-H3C(O)CH3
  441982.1115  0.0279 -5.5291 3  475.3948340  595161404422419 3    412516 3      C-13-H3C(O)CH3
  441991.8311  0.0281 -5.0554 3  897.3045A48  595161404651352 0    651353 0      C-13-H3C(O)CH3
  441991.8311  0.0281 -5.4481 3  897.3045A48  595161404651352 0    651253 0      C-13-H3C(O)CH3
  441991.8311  0.0281 -5.4481 3  897.3045A48  595161404651452 0    651353 0      C-13-H3C(O)CH3
  441991.8311  0.0281 -5.0554 3  897.3045A48  595161404651452 0    651253 0      C-13-H3C(O)CH3
  442103.0487  0.0338 -4.9077 3  897.2848A48  595161404651352 1    651353 1      C-13-H3C(O)CH3
  442103.0487  0.0338 -4.9077 3  897.2848A48  595161404651452 1    651253 1      C-13-H3C(O)CH3
  442103.4144  0.0334 -4.9350 3  897.2846A48  595161404651352 2    651353 2      C-13-H3C(O)CH3
  442103.4144  0.0334 -6.1198 3  897.2846A48  595161404651352 2    651253 2      C-13-H3C(O)CH3
  442103.4144  0.0334 -6.1198 3  897.2846A48  595161404651452 2    651353 2      C-13-H3C(O)CH3
  442103.4144  0.0334 -4.9350 3  897.2846A48  595161404651452 2    651253 2      C-13-H3C(O)CH3
  442116.9431  0.0796 -6.1673 3 1490.7641636  595161404792753 3    792554 3      C-13-H3C(O)CH3
  442116.9431  0.0796 -6.1673 3 1490.7641636  595161404792653 3    792654 3      C-13-H3C(O)CH3
  442116.9517  0.0797 -6.1698 3 1490.7641636  595161404792653 4    792554 4      C-13-H3C(O)CH3
  442116.9517  0.0797 -6.1698 3 1490.7641636  595161404792753 4    792654 4      C-13-H3C(O)CH3
  442117.3446  0.0300 -6.4135 3  482.1814664  595161404413012 1    412714 1      C-13-H3C(O)CH3
  442121.8622  0.0570 -6.5931 3  549.9007356  595161404443113 3    442817 3      C-13-H3C(O)CH3
  442125.1136  0.0025 -4.3198 3  326.4368340  59516140442 538 4    41 437 4      C-13-H3C(O)CH3
  442125.1136  0.0025 -4.3198 3  326.4368340  59516140442 438 4    41 537 4      C-13-H3C(O)CH3
  442125.1308  0.0025 -5.1130 3  326.4368340  59516140442 538 3    41 537 3      C-13-H3C(O)CH3
  442125.1308  0.0025 -3.6435 3  326.4368340  59516140442 438 3    41 537 3      C-13-H3C(O)CH3
  442125.1688  0.0025 -3.6435 3  326.4368340 -59516140442 538 3    41 437 3      C-13-H3C(O)CH3
  442125.1688  0.0025 -3.7281 3  326.4368340 -59516140442 538 4    41 537 4      C-13-H3C(O)CH3
  442125.1688  0.0025 -3.7281 3  326.4368340 -59516140442 438 4    41 437 4      C-13-H3C(O)CH3
  442125.1688  0.0025 -5.1130 3  326.4368340 -59516140442 438 3    41 437 3      C-13-H3C(O)CH3
  442131.4208  0.0843 -6.4800 3 1490.7418C72  595161404792753 1    792654 1      C-13-H3C(O)CH3
  442131.4208  0.0843 -5.9808 3 1490.7418C72  595161404792753 1    792554 1      C-13-H3C(O)CH3
  442131.4208  0.0843 -5.9808 3 1490.7418C72  595161404792653 1    792654 1      C-13-H3C(O)CH3
  442131.4208  0.0843 -6.4800 3 1490.7418C72  595161404792653 1    792554 1      C-13-H3C(O)CH3
  442136.9146  0.0024 -3.9463 3  262.1745260  595161404321517 4    311616 4      C-13-H3C(O)CH3
  442137.0732  0.0875 -5.8907 3 1490.7441C72  595161404792753 2    792654 2      C-13-H3C(O)CH3
  442137.0732  0.0875 -5.8907 3 1490.7441C72  595161404792653 2    792554 2      C-13-H3C(O)CH3
  442137.0755  0.0024 -3.9463 3  262.1745260  595161404321517 3    311616 3      C-13-H3C(O)CH3
  442151.5778  0.0887 -5.9855 3 1490.7218C72  595161404792753 0    792554 0      C-13-H3C(O)CH3
  442151.5778  0.0887 -6.4652 3 1490.7218C72  595161404792753 0    792654 0      C-13-H3C(O)CH3
  442151.5778  0.0887 -6.4652 3 1490.7218C72  595161404792653 0    792554 0      C-13-H3C(O)CH3
  442151.5778  0.0887 -5.9855 3 1490.7218C72  595161404792653 0    792654 0      C-13-H3C(O)CH3
  442162.9938  0.0031 -5.5696 3  326.4318680 -59516140442 538 1    41 437 1      C-13-H3C(O)CH3
  442162.9938  0.0031 -5.5696 3  326.4318680 -59516140442 438 1    41 537 1      C-13-H3C(O)CH3
  442163.1001  0.0031 -3.3305 3  326.4318680  59516140442 538 1    41 537 1      C-13-H3C(O)CH3
  442163.1001  0.0031 -3.3305 3  326.4318680  59516140442 438 1    41 437 1      C-13-H3C(O)CH3
  442163.3472  0.0031 -4.7296 3  326.4314680  59516140442 438 2    41 437 2      C-13-H3C(O)CH3
  442163.3472  0.0031 -4.7296 3  326.4314680  59516140442 538 2    41 537 2      C-13-H3C(O)CH3
  442163.4560  0.0031 -3.3456 3  326.4314680 -59516140442 438 2    41 537 2      C-13-H3C(O)CH3
  442163.4560  0.0031 -3.3456 3  326.4314680 -59516140442 538 2    41 437 2      C-13-H3C(O)CH3
  442184.0404  0.0025 -3.6452 3  262.1966520 -595161404321517 1    311616 1      C-13-H3C(O)CH3
  442196.3018  0.0025 -3.6454 3  262.1923520 -595161404321517 2    311616 2      C-13-H3C(O)CH3
  442201.2179  0.0025 -3.4490 3  326.4264680 -59516140442 438 0    41 437 0      C-13-H3C(O)CH3
  442201.2179  0.0025 -3.4490 3  326.4264680 -59516140442 538 0    41 537 0      C-13-H3C(O)CH3
  442201.2388  0.0025 -3.9417 3  326.4264680  59516140442 438 0    41 537 0      C-13-H3C(O)CH3
  442201.2388  0.0025 -3.9417 3  326.4264680  59516140442 538 0    41 437 0      C-13-H3C(O)CH3
  442214.7590  0.0339 -6.0414 3  897.2650524  595161404651452 3    651353 3      C-13-H3C(O)CH3
  442214.7590  0.0339 -5.2772 3  897.2650524  595161404651352 3    651353 3      C-13-H3C(O)CH3
  442214.7590  0.0339 -6.0414 3  897.2650524  595161404651352 3    651253 3      C-13-H3C(O)CH3
  442214.7590  0.0339 -5.2772 3  897.2650524  595161404651452 3    651253 3      C-13-H3C(O)CH3
  442214.8913  0.0339 -5.5200 3  897.2649524  595161404651452 4    651353 4      C-13-H3C(O)CH3
  442214.8913  0.0339 -5.4987 3  897.2649524  595161404651452 4    651253 4      C-13-H3C(O)CH3
  442214.8913  0.0339 -5.4987 3  897.2649524  595161404651352 4    651353 4      C-13-H3C(O)CH3
  442214.8913  0.0339 -5.5200 3  897.2649524  595161404651352 4    651253 4      C-13-H3C(O)CH3
  442228.9693  0.0025 -3.8907 3  272.2755268  595161404331419 4    321518 4      C-13-H3C(O)CH3
  442229.1395  0.0025 -3.8907 3  272.2756268  595161404331419 3    321518 3      C-13-H3C(O)CH3
  442231.2557  0.0025 -3.8907 3  272.2755268  595161404331519 4    321418 4      C-13-H3C(O)CH3
  442231.4360  0.0025 -3.8907 3  272.2755268  595161404331519 3    321418 3      C-13-H3C(O)CH3
  442243.1397  0.0022 -3.6454 3  262.2144520 -595161404321517 0    311616 0      C-13-H3C(O)CH3
  442252.3955  0.0023 -3.9460 3  262.1715260  595161404321617 4    311516 4      C-13-H3C(O)CH3
  442252.8824  0.0023 -3.9460 3  262.1714260  595161404321617 3    311516 3      C-13-H3C(O)CH3
  442269.8127  0.0027 -3.5897 3  272.2983536 -595161404331419 1    321518 1      C-13-H3C(O)CH3
  442272.0951  0.0027 -3.5897 3  272.2982536 -595161404331519 1    321418 1      C-13-H3C(O)CH3
  442277.5029  0.0366 -6.5323 3  482.1887664  595161404413012 2    412714 2      C-13-H3C(O)CH3
  442278.1561  0.0027 -3.5898 3  272.2952536 -595161404331419 2    321518 2      C-13-H3C(O)CH3
  442280.5540  0.0027 -3.5898 3  272.2951536 -595161404331519 2    321418 2      C-13-H3C(O)CH3
  442294.0709  0.0241 -4.6935 3  159.5003196  5951614042418 7 3    2317 6 3      C-13-H3C(O)CH3
  442297.2985  0.0025 -3.6450 3  262.1936520 -595161404321617 1    311516 1      C-13-H3C(O)CH3
  442313.6807  0.0025 -3.6452 3  262.1892520 -595161404321617 2    311516 2      C-13-H3C(O)CH3
  442318.8696  0.0023 -3.5898 3  272.3179536 -595161404331419 0    321518 0      C-13-H3C(O)CH3
  442320.9858  0.0023 -3.5898 3  272.3179536 -595161404331519 0    321418 0      C-13-H3C(O)CH3
  442357.9578  0.0022 -3.6452 3  262.2113520 -595161404321617 0    311516 0      C-13-H3C(O)CH3
  442380.3344  0.0556 -6.2908 3  549.9088712  595161404443113 2    442817 2      C-13-H3C(O)CH3
  442497.8317  0.0232 -5.1648 3  858.2020A32  595161404641252 0    641153 0      C-13-H3C(O)CH3
  442497.8317  0.0232 -5.1648 3  858.2020A32  595161404641352 0    641253 0      C-13-H3C(O)CH3
  442497.8317  0.0232 -5.1536 3  858.2020A32  595161404641352 0    641153 0      C-13-H3C(O)CH3
  442497.8317  0.0232 -5.1536 3  858.2020A32  595161404641252 0    641253 0      C-13-H3C(O)CH3
  442505.4403  0.0275 -5.9848 3  482.1939664  595161404413011 0    412714 0      C-13-H3C(O)CH3
  442550.0203  0.0033 -3.7519 3  159.5442196 -5951614042418 6 4    2317 6 4      C-13-H3C(O)CH3
  442592.6806  0.0175 -6.4118 3   68.9980132  5951614041614 3 3    1511 4 3      C-13-H3C(O)CH3
  442599.6760  0.0289 -6.1940 3  858.1780A32  595161404641252 1    641153 1      C-13-H3C(O)CH3
  442599.6760  0.0289 -4.8783 3  858.1780A32  595161404641352 1    641153 1      C-13-H3C(O)CH3
  442599.6760  0.0289 -6.1940 3  858.1780A32  595161404641352 1    641253 1      C-13-H3C(O)CH3
  442599.6760  0.0289 -4.8783 3  858.1780A32  595161404641252 1    641253 1      C-13-H3C(O)CH3
  442599.7266  0.0283 -5.0606 3  858.1778A32  595161404641352 2    641253 2      C-13-H3C(O)CH3
  442599.7266  0.0283 -5.2861 3  858.1778A32  595161404641252 2    641253 2      C-13-H3C(O)CH3
  442599.7266  0.0283 -5.0606 3  858.1778A32  595161404641252 2    641153 2      C-13-H3C(O)CH3
  442599.7266  0.0283 -5.2861 3  858.1778A32  595161404641352 2    641153 2      C-13-H3C(O)CH3
  442624.7422  0.0032 -3.8042 3  159.5003196 -5951614042418 6 3    2317 6 3      C-13-H3C(O)CH3
  442685.5463  0.0035 -3.8038 3  159.4873196 -5951614042418 7 3    2317 7 3      C-13-H3C(O)CH3
  442701.6859  0.0312 -6.4595 3  858.1538516  595161404641352 3    641153 3      C-13-H3C(O)CH3
  442701.6859  0.0312 -5.1808 3  858.1538516  595161404641352 3    641253 3      C-13-H3C(O)CH3
  442701.6859  0.0312 -5.1808 3  858.1538516  595161404641252 3    641153 3      C-13-H3C(O)CH3
  442701.6859  0.0312 -6.4595 3  858.1538516  595161404641252 3    641253 3      C-13-H3C(O)CH3
  442701.7631  0.0312 -5.1842 3  858.1538516  595161404641352 4    641153 4      C-13-H3C(O)CH3
  442701.7631  0.0312 -6.3997 3  858.1538516  595161404641252 4    641153 4      C-13-H3C(O)CH3
  442701.7631  0.0312 -5.1842 3  858.1538516  595161404641252 4    641253 4      C-13-H3C(O)CH3
  442701.7631  0.0312 -6.3997 3  858.1538516  595161404641352 4    641253 4      C-13-H3C(O)CH3
  442730.4477  0.0028 -3.4521 3  159.5326392 -5951614042418 6 1    2317 6 1      C-13-H3C(O)CH3
  442747.3255  0.0145 -6.2467 3   68.9980132  5951614041614 2 3    1511 4 3      C-13-H3C(O)CH3
  442750.2964  0.0026 -3.8482 3  281.7315276 -595161404341321 4    331420 4      C-13-H3C(O)CH3
  442750.2964  0.0026 -3.8482 3  281.7315276 -595161404341421 4    331320 4      C-13-H3C(O)CH3
  442750.2964  0.0026 -3.8482 3  281.7315276 -595161404341321 3    331420 3      C-13-H3C(O)CH3
  442750.2964  0.0026 -3.8482 3  281.7315276 -595161404341421 3    331320 3      C-13-H3C(O)CH3
  442761.8713  0.0029 -3.7521 3  159.4433196 -5951614042418 7 4    2317 7 4      C-13-H3C(O)CH3
  442788.1737  0.0029 -3.5472 3  281.7544552 -595161404341421 1    331320 1      C-13-H3C(O)CH3
  442788.1737  0.0029 -3.5472 3  281.7544552 -595161404341321 1    331420 1      C-13-H3C(O)CH3
  442791.7776  0.0030 -3.4528 3  159.5341392 -5951614042418 6 2    2317 6 2      C-13-H3C(O)CH3
  442793.6762  0.0029 -3.5472 3  281.7521552 -595161404341421 2    331320 2      C-13-H3C(O)CH3
  442793.6762  0.0029 -3.5472 3  281.7521552 -595161404341321 2    331420 2      C-13-H3C(O)CH3
  442831.2635  0.0025 -3.5472 3  281.7750552 -595161404341321 0    331420 0      C-13-H3C(O)CH3
  442831.2635  0.0025 -3.5472 3  281.7750552 -595161404341421 0    331320 0      C-13-H3C(O)CH3
  442832.2764  0.0294 -6.1858 3  482.1814664  595161404413011 1    412714 1      C-13-H3C(O)CH3
  442853.8811  0.0027 -3.4520 3  159.4763392 -5951614042418 7 1    2317 7 1      C-13-H3C(O)CH3
  442857.2834  0.0028 -3.4488 3  159.5251392 -5951614042418 7 0    2317 6 0      C-13-H3C(O)CH3
  442890.7355  0.0028 -3.4531 3  159.4893392 -5951614042418 7 2    2317 7 2      C-13-H3C(O)CH3
  442925.9974  0.0385 -6.4977 3  482.1709332  595161404413011 3    412714 3      C-13-H3C(O)CH3
  442926.5213  0.0750 -6.1956 3 1443.5661628  595161404782653 3    782554 3      C-13-H3C(O)CH3
  442926.5213  0.0750 -6.1956 3 1443.5661628  595161404782553 3    782454 3      C-13-H3C(O)CH3
  442926.5507  0.0750 -6.1284 3 1443.5661628  595161404782653 4    782554 4      C-13-H3C(O)CH3
  442926.5507  0.0750 -6.1284 3 1443.5661628  595161404782553 4    782454 4      C-13-H3C(O)CH3
  442930.5262  0.0818 -5.8412 3 1443.5436C56  595161404782553 1    782554 1      C-13-H3C(O)CH3
  442930.5262  0.0818 -6.6417 3 1443.5436C56  595161404782553 1    782454 1      C-13-H3C(O)CH3
  442930.5262  0.0818 -5.8412 3 1443.5436C56  595161404782653 1    782454 1      C-13-H3C(O)CH3
  442930.5262  0.0818 -6.6417 3 1443.5436C56  595161404782653 1    782554 1      C-13-H3C(O)CH3
  442936.6668  0.0855 -5.8193 3 1443.5456C56  595161404782553 2    782454 2      C-13-H3C(O)CH3
  442936.6668  0.0855 -5.8193 3 1443.5456C56  595161404782653 2    782554 2      C-13-H3C(O)CH3
  442940.7110  0.0829 -6.5617 3 1443.5232C56  595161404782653 0    782554 0      C-13-H3C(O)CH3
  442940.7110  0.0829 -6.5617 3 1443.5232C56  595161404782553 0    782454 0      C-13-H3C(O)CH3
  442940.7110  0.0829 -5.8552 3 1443.5232C56  595161404782653 0    782454 0      C-13-H3C(O)CH3
  442940.7110  0.0829 -5.8552 3 1443.5232C56  595161404782553 0    782554 0      C-13-H3C(O)CH3
  442994.3393  0.0193 -6.5216 3  819.6816A16  595161404631152 0    631053 0      C-13-H3C(O)CH3
  442994.3393  0.0193 -4.8212 3  819.6816A16  595161404631152 0    631153 0      C-13-H3C(O)CH3
  442994.3393  0.0193 -6.5216 3  819.6816A16  595161404631252 0    631153 0      C-13-H3C(O)CH3
  442994.3393  0.0193 -4.8212 3  819.6816A16  595161404631252 0    631053 0      C-13-H3C(O)CH3
  443016.3596  0.0237 -4.6925 3  159.4873196 -5951614042418 6 3    2317 7 3      C-13-H3C(O)CH3
  443079.3413  0.0255 -5.8666 3  819.6539A16  595161404631152 2    631053 2      C-13-H3C(O)CH3
  443079.3413  0.0255 -4.8524 3  819.6539A16  595161404631152 2    631153 2      C-13-H3C(O)CH3
  443079.3413  0.0255 -6.3807 3  819.6539A16  595161404631252 2    631153 2      C-13-H3C(O)CH3
  443079.3413  0.0255 -4.8242 3  819.6539A16  595161404631252 2    631053 2      C-13-H3C(O)CH3
  443079.4582  0.0260 -5.2017 3  819.6541A16  595161404631252 1    631153 1      C-13-H3C(O)CH3
  443079.4582  0.0260 -5.2017 3  819.6541A16  595161404631152 1    631053 1      C-13-H3C(O)CH3
  443079.4582  0.0260 -5.0400 3  819.6541A16  595161404631252 1    631053 1      C-13-H3C(O)CH3
  443079.4582  0.0260 -5.0400 3  819.6541A16  595161404631152 1    631153 1      C-13-H3C(O)CH3
  443085.1846  0.0124 -6.0270 3   68.9068132  5951614041614 3 4    1511 5 4      C-13-H3C(O)CH3
  443096.7400  0.0028 -3.4485 3  159.5194392 -5951614042418 6 0    2317 7 0      C-13-H3C(O)CH3
  443113.7005  0.2311 -6.6570 3 1926.2173E16  595161404883454 2    883455 2      C-13-H3C(O)CH3
  443113.7005  0.2311 -6.6570 3 1926.2173E16  595161404883554 2    883355 2      C-13-H3C(O)CH3
  443117.7384  0.0671 -6.6271 3  549.8965356  595161404443113 4    442817 4      C-13-H3C(O)CH3
  443156.8657  0.0324 -6.1302 3  482.1887664  595161404413011 2    412714 2      C-13-H3C(O)CH3
  443164.5562  0.0285 -5.1161 3  819.6263508  595161404631152 3    631053 3      C-13-H3C(O)CH3
  443164.5562  0.0285 -5.1161 3  819.6263508  595161404631252 3    631153 3      C-13-H3C(O)CH3
  443164.5594  0.0285 -6.3394 3  819.6263508  595161404631152 4    631053 4      C-13-H3C(O)CH3
  443164.5594  0.0285 -5.1397 3  819.6263508  595161404631252 4    631053 4      C-13-H3C(O)CH3
  443164.5594  0.0285 -5.1397 3  819.6263508  595161404631152 4    631153 4      C-13-H3C(O)CH3
  443164.5594  0.0285 -6.3394 3  819.6263508  595161404631252 4    631153 4      C-13-H3C(O)CH3
  443230.5999  0.0025 -4.9697 3  330.2716348 -59516140443 440 3    42 339 3      C-13-H3C(O)CH3
  443230.5999  0.0025 -3.6864 3  330.2716348 -59516140443 440 4    42 339 4      C-13-H3C(O)CH3
  443230.5999  0.0025 -4.3992 3  330.2716348 -59516140443 340 4    42 339 4      C-13-H3C(O)CH3
  443230.5999  0.0025 -4.9697 3  330.2716348 -59516140443 340 3    42 439 3      C-13-H3C(O)CH3
  443230.6025  0.0025 -3.6864 3  330.2716348  59516140443 340 4    42 439 4      C-13-H3C(O)CH3
  443230.6025  0.0025 -4.3992 3  330.2716348  59516140443 440 4    42 439 4      C-13-H3C(O)CH3
  443230.6029  0.0025 -3.6288 3  330.2716348  59516140443 340 3    42 339 3      C-13-H3C(O)CH3
  443230.6029  0.0025 -3.6288 3  330.2716348  59516140443 440 3    42 439 3      C-13-H3C(O)CH3
  443265.1958  0.0031 -4.3249 3  330.2567696  59516140443 340 1    42 439 1      C-13-H3C(O)CH3
  443265.1958  0.0031 -4.3249 3  330.2567696  59516140443 440 1    42 339 1      C-13-H3C(O)CH3
  443265.2560  0.0031 -3.3523 3  330.2567696 -59516140443 440 1    42 439 1      C-13-H3C(O)CH3
  443265.2560  0.0031 -3.3523 3  330.2567696 -59516140443 340 1    42 339 1      C-13-H3C(O)CH3
  443265.2560  0.0031 -4.3785 3  330.2562696 -59516140443 440 2    42 339 2      C-13-H3C(O)CH3
  443265.2560  0.0031 -3.3470 3  330.2562696 -59516140443 340 2    42 339 2      C-13-H3C(O)CH3
  443265.3319  0.0031 -4.3785 3  330.2562696  59516140443 340 2    42 439 2      C-13-H3C(O)CH3
  443265.3319  0.0031 -3.3470 3  330.2562696  59516140443 440 2    42 439 2      C-13-H3C(O)CH3
  443299.7766  0.0024 -4.5916 3  330.2414696 -59516140443 340 0    42 439 0      C-13-H3C(O)CH3
  443299.7766  0.0024 -4.6261 3  330.2414696 -59516140443 440 0    42 339 0      C-13-H3C(O)CH3
  443299.8481  0.0024 -3.3315 3  330.2414696  59516140443 340 0    42 339 0      C-13-H3C(O)CH3
  443299.8481  0.0024 -3.3297 3  330.2414696  59516140443 440 0    42 439 0      C-13-H3C(O)CH3
  443335.2457  0.0095 -4.1224 3  208.0575228  595161404281712 4    271611 4      C-13-H3C(O)CH3
  443348.5633  0.0083 -4.1224 3  208.0572228  595161404281712 3    271611 3      C-13-H3C(O)CH3
  443354.1728  0.0322 -6.3828 3  482.1805332  595161404413011 4    412714 4      C-13-H3C(O)CH3
  443443.9061  0.0076 -3.8214 3  208.0697456 -595161404281712 1    271611 1      C-13-H3C(O)CH3
  443474.4026  0.0508 -6.5212 3  471.8685664  595161404412814 2    402911 2      C-13-H3C(O)CH3
  443483.6583  0.0168 -5.5645 3  781.7439A00  595161404621152 0    62 953 0      C-13-H3C(O)CH3
  443483.6583  0.0168 -4.8481 3  781.7439A00  595161404621052 0    62 953 0      C-13-H3C(O)CH3
  443483.6583  0.0168 -5.5645 3  781.7439A00  595161404621052 0    621053 0      C-13-H3C(O)CH3
  443483.6583  0.0168 -4.8481 3  781.7439A00  595161404621152 0    621053 0      C-13-H3C(O)CH3
  443505.5124  0.0028 -3.8132 3  290.5830284 -595161404351223 4    341322 4      C-13-H3C(O)CH3
  443505.5124  0.0027 -3.8132 3  290.5830284 -595161404351223 3    341322 3      C-13-H3C(O)CH3
  443505.5124  0.0028 -3.8132 3  290.5830284 -595161404351323 4    341222 4      C-13-H3C(O)CH3
  443505.5124  0.0027 -3.8132 3  290.5830284 -595161404351323 3    341222 3      C-13-H3C(O)CH3
  443526.2380  0.0254 -5.5379 3  624.4285744  595161404463611 0    4537 8 0      C-13-H3C(O)CH3
  443526.2398  0.0254 -5.5379 3  624.4285744  595161404463610 0    4537 9 0      C-13-H3C(O)CH3
  443541.7620  0.0030 -3.5122 3  290.6058568 -595161404351223 1    341322 1      C-13-H3C(O)CH3
  443541.7620  0.0030 -3.5122 3  290.6058568 -595161404351323 1    341222 1      C-13-H3C(O)CH3
  443543.3014  0.0247 -4.7718 3  781.7137A00  595161404621152 2    62 953 2      C-13-H3C(O)CH3
  443543.3014  0.0247 -4.7718 3  781.7137A00  595161404621052 2    621053 2      C-13-H3C(O)CH3
  443543.4412  0.0252 -4.8009 3  781.7139A00  595161404621152 1    62 953 1      C-13-H3C(O)CH3
  443543.4412  0.0252 -5.9565 3  781.7139A00  595161404621152 1    621053 1      C-13-H3C(O)CH3
  443543.4412  0.0252 -4.8009 3  781.7139A00  595161404621052 1    621053 1      C-13-H3C(O)CH3
  443543.4412  0.0252 -5.9565 3  781.7139A00  595161404621052 1    62 953 1      C-13-H3C(O)CH3
  443545.5395  0.0030 -3.5122 3  290.6040568 -595161404351323 2    341222 2      C-13-H3C(O)CH3
  443545.5395  0.0030 -3.5122 3  290.6040568 -595161404351223 2    341322 2      C-13-H3C(O)CH3
  443564.9654  0.0266 -5.5385 3  624.4464744  595161404463610 1    4537 8 1      C-13-H3C(O)CH3
  443581.6584  0.0025 -3.5122 3  290.6267568 -595161404351223 0    341322 0      C-13-H3C(O)CH3
  443581.6584  0.0025 -3.5122 3  290.6267568 -595161404351323 0    341222 0      C-13-H3C(O)CH3
  443603.0641  0.0258 -5.3740 3  781.6836500  595161404621052 4    621053 4      C-13-H3C(O)CH3
  443603.0641  0.0258 -5.3729 3  781.6836500  595161404621152 4    621053 4      C-13-H3C(O)CH3
  443603.0641  0.0258 -5.3729 3  781.6836500  595161404621052 4    62 953 4      C-13-H3C(O)CH3
  443603.0641  0.0258 -5.3740 3  781.6836500  595161404621152 4    62 953 4      C-13-H3C(O)CH3
  443603.1530  0.0258 -5.1572 3  781.6836500  595161404621152 3    62 953 3      C-13-H3C(O)CH3
  443603.1530  0.0258 -5.8234 3  781.6836500  595161404621152 3    621053 3      C-13-H3C(O)CH3
  443603.1530  0.0258 -5.8234 3  781.6836500  595161404621052 3    62 953 3      C-13-H3C(O)CH3
  443603.1530  0.0258 -5.1572 3  781.6836500  595161404621052 3    621053 3      C-13-H3C(O)CH3
  443663.8018  0.0135 -4.0312 3  168.4333204  5951614042517 9 4    2416 8 4      C-13-H3C(O)CH3
  443670.0480  0.0134 -6.0391 3   69.0421132  5951614041614 2 4    1511 4 4      C-13-H3C(O)CH3
  443699.2211  0.0794 -5.7268 3 1396.8954C40  595161404772453 0    772454 0      C-13-H3C(O)CH3
  443699.2211  0.0794 -5.7268 3 1396.8954C40  595161404772553 0    772354 0      C-13-H3C(O)CH3
  443700.4538  0.0817 -5.7065 3 1396.9157C40  595161404772553 1    772454 1      C-13-H3C(O)CH3
  443700.4538  0.0817 -5.7065 3 1396.9157C40  595161404772453 1    772354 1      C-13-H3C(O)CH3
  443706.8315  0.0854 -6.0868 3 1396.9173C40  595161404772553 2    772354 2      C-13-H3C(O)CH3
  443706.8315  0.0854 -5.9215 3 1396.9173C40  595161404772553 2    772454 2      C-13-H3C(O)CH3
  443706.8315  0.0854 -5.6954 3 1396.9173C40  595161404772453 2    772454 2      C-13-H3C(O)CH3
  443708.1159  0.0711 -6.3237 3 1396.9377620  595161404772553 3    772354 3      C-13-H3C(O)CH3
  443708.1159  0.0711 -6.3237 3 1396.9377620  595161404772453 3    772454 3      C-13-H3C(O)CH3
  443708.1159  0.0711 -6.2727 3 1396.9377620  595161404772453 3    772354 3      C-13-H3C(O)CH3
  443708.1159  0.0711 -6.2727 3 1396.9377620  595161404772553 3    772454 3      C-13-H3C(O)CH3
  443708.1676  0.0711 -5.9971 3 1396.9377620  595161404772453 4    772454 4      C-13-H3C(O)CH3
  443708.1676  0.0711 -6.0795 3 1396.9377620  595161404772553 4    772354 4      C-13-H3C(O)CH3
  443733.1477  0.0265 -5.5380 3  624.4126744  595161404463611 1    4537 9 1      C-13-H3C(O)CH3
  443755.0228  0.0072 -3.8207 3  208.0547456 -595161404281712 2    271611 2      C-13-H3C(O)CH3
  443770.5169  0.0074 -4.0079 3  137.6895376  5951614042314 9 2    221310 2      C-13-H3C(O)CH3
  443793.5650  0.0249 -5.5373 3  624.4282744  595161404463611 2    4537 9 2      C-13-H3C(O)CH3
  443815.8392  0.0068 -4.0069 3  137.6851376 -5951614042314 9 0    221310 0      C-13-H3C(O)CH3
  443819.1518  0.0257 -5.5381 3  624.4457744  595161404463610 2    4537 8 2      C-13-H3C(O)CH3
  443831.5656  0.0294 -5.8389 3  624.4461372  595161404463610 3    4537 8 3      C-13-H3C(O)CH3
  443851.0780  0.0074 -3.8208 3  208.0672456 -595161404281712 0    271611 0      C-13-H3C(O)CH3
  443858.9900  0.0316 -5.8397 3  624.4634372  595161404463610 4    4537 8 4      C-13-H3C(O)CH3
  443951.6636  0.0333 -6.1244 3  471.8497664  595161404412814 1    402911 1      C-13-H3C(O)CH3
  443964.8225  0.0087 -4.3115 3  137.6980188  5951614042314 9 3    221310 3      C-13-H3C(O)CH3
  443968.1729  0.0157 -5.9069 3  744.3891984  59516140461 952 0    61 853 0      C-13-H3C(O)CH3
  443968.1729  0.0157 -4.7669 3  744.3891984  59516140461 952 0    61 953 0      C-13-H3C(O)CH3
  443968.1729  0.0157 -4.7669 3  744.3891984  595161404611052 0    61 853 0      C-13-H3C(O)CH3
  443968.1729  0.0157 -5.9069 3  744.3891984  595161404611052 0    61 953 0      C-13-H3C(O)CH3
  443987.0303  0.0111 -4.3120 3  137.6977188  5951614042314 9 4    221310 4      C-13-H3C(O)CH3
  443992.6488  0.0253 -5.0525 3  744.3578984  595161404611052 2    61 853 2      C-13-H3C(O)CH3
  443992.6488  0.0253 -5.0228 3  744.3578984  59516140461 952 2    61 853 2      C-13-H3C(O)CH3
  443992.6488  0.0253 -5.0228 3  744.3578984  595161404611052 2    61 953 2      C-13-H3C(O)CH3
  443992.6488  0.0253 -5.0525 3  744.3578984  59516140461 952 2    61 953 2      C-13-H3C(O)CH3
  443992.6833  0.0256 -4.8213 3  744.3581984  595161404611052 1    61 853 1      C-13-H3C(O)CH3
  443992.6833  0.0256 -4.8213 3  744.3581984  59516140461 952 1    61 953 1      C-13-H3C(O)CH3
  443992.6833  0.0256 -5.4868 3  744.3581984  59516140461 952 1    61 853 1      C-13-H3C(O)CH3
  443992.6833  0.0256 -5.4868 3  744.3581984  595161404611052 1    61 953 1      C-13-H3C(O)CH3
  443997.1580  0.0110 -5.7612 3   68.9892264  5951614041614 2 1    1511 4 1      C-13-H3C(O)CH3
  443998.4121  0.0150 -6.2462 3   68.9511132  5951614041614 3 3    1511 5 3      C-13-H3C(O)CH3
  443998.9036  0.0283 -5.8384 3  624.4122372  595161404463611 4    4537 9 4      C-13-H3C(O)CH3
  444016.9937  0.0232 -5.0375 3  744.3267492  595161404611052 4    61 953 4      C-13-H3C(O)CH3
  444016.9937  0.0232 -5.0375 3  744.3267492  59516140461 952 4    61 853 4      C-13-H3C(O)CH3
  444017.1894  0.0232 -5.1092 3  744.3268492  595161404611052 3    61 853 3      C-13-H3C(O)CH3
  444017.1894  0.0232 -5.8535 3  744.3268492  595161404611052 3    61 953 3      C-13-H3C(O)CH3
  444017.1894  0.0232 -5.8535 3  744.3268492  59516140461 952 3    61 853 3      C-13-H3C(O)CH3
  444017.1894  0.0232 -5.1092 3  744.3268492  59516140461 952 3    61 953 3      C-13-H3C(O)CH3
  444017.4006  0.0075 -4.0098 3  137.6934376  5951614042314 9 1    221310 1      C-13-H3C(O)CH3
  444025.4529  0.0297 -5.8392 3  624.4298372  595161404463611 3    4537 9 3      C-13-H3C(O)CH3
  444054.9457  0.0108 -5.7551 3   68.9074264  5951614041614 3 1    1511 5 1      C-13-H3C(O)CH3
  444107.3967  0.0196 -5.1369 3  528.5781696  595161404433113 2    423211 2      C-13-H3C(O)CH3
  444111.8555  0.0186 -5.1375 3  528.5854696  595161404433113 0    423210 0      C-13-H3C(O)CH3
  444118.9969  0.0187 -5.1374 3  528.5854696  595161404433112 0    423211 0      C-13-H3C(O)CH3
  444133.0778  0.0187 -5.5152 3  159.4893392  5951614042418 6 2    2317 7 2      C-13-H3C(O)CH3
  444153.0570  0.0163 -6.4107 3   68.9511132  5951614041614 2 3    1511 5 3      C-13-H3C(O)CH3
  444177.6948  0.2281 -6.6522 3 1873.9012E00  595161404873354 1    873255 1      C-13-H3C(O)CH3
  444177.6948  0.2281 -6.6522 3 1873.9012E00  595161404873454 1    873355 1      C-13-H3C(O)CH3
  444178.8513  0.0567 -5.8895 3  719.3863824  595161404513220 0    512923 0      C-13-H3C(O)CH3
  444190.4053  0.0070 -3.6565 3  168.4340408 -5951614042517 9 1    2416 8 1      C-13-H3C(O)CH3
  444218.7721  0.0522 -6.1350 3  471.8410332  595161404412814 3    402911 3      C-13-H3C(O)CH3
  444224.0435  0.2329 -6.6513 3 1873.8970E00  595161404873354 0    873255 0      C-13-H3C(O)CH3
  444224.0435  0.2329 -6.5727 3 1873.8970E00  595161404873454 0    873355 0      C-13-H3C(O)CH3
  444230.1292  0.0058 -3.9146 3  168.4265204  5951614042517 9 3    2416 8 3      C-13-H3C(O)CH3
  444232.1079  0.0099 -5.7235 3   68.9464264  5951614041614 3 0    1511 4 0      C-13-H3C(O)CH3
  444235.0890  0.0101 -5.7658 3   68.9135264  5951614041614 3 2    1511 5 2      C-13-H3C(O)CH3
  444253.5127  0.0215 -5.4383 3  528.5810348  595161404433113 3    423210 3      C-13-H3C(O)CH3
  444256.6845  0.0213 -5.4378 3  528.5535348  595161404433113 4    423211 4      C-13-H3C(O)CH3
  444259.7512  0.0108 -5.7720 3   68.9874264  5951614041614 2 2    1511 4 2      C-13-H3C(O)CH3
  444263.5515  0.0199 -5.1376 3  528.5884696  595161404433112 1    423210 1      C-13-H3C(O)CH3
  444264.5455  0.0193 -5.1373 3  528.5611696  595161404433113 1    423211 1      C-13-H3C(O)CH3
  444337.8015  0.0191 -4.9344 3  471.8397664  595161404412814 2    402912 2      C-13-H3C(O)CH3
  444344.3846  0.0026 -3.6616 3  333.5685356  59516140444 342 3    43 241 3      C-13-H3C(O)CH3
  444344.3846  0.0026 -3.6997 3  333.5685356  59516140444 242 3    43 341 3      C-13-H3C(O)CH3
  444344.3977  0.0026 -3.6315 3  333.5685356  59516140444 242 4    43 241 4      C-13-H3C(O)CH3
  444344.3977  0.0026 -3.6315 3  333.5685356  59516140444 342 4    43 341 4      C-13-H3C(O)CH3
  444344.4138  0.0026 -4.6314 3  333.5685356 -59516140444 242 4    43 341 4      C-13-H3C(O)CH3
  444344.4138  0.0026 -4.6314 3  333.5685356 -59516140444 342 4    43 241 4      C-13-H3C(O)CH3
  444344.4138  0.0026 -4.2418 3  333.5685356 -59516140444 342 3    43 341 3      C-13-H3C(O)CH3
  444344.4138  0.0026 -4.4087 3  333.5685356 -59516140444 242 3    43 241 3      C-13-H3C(O)CH3
  444357.7006  0.0164 -4.9239 3  471.8560664  595161404412814 0    402911 0      C-13-H3C(O)CH3
  444370.6221  0.0198 -5.1371 3  528.6030696  595161404433112 2    423210 2      C-13-H3C(O)CH3
  444373.0187  0.0031 -3.9671 3  333.5406712 -59516140444 342 1    43 241 1      C-13-H3C(O)CH3
  444373.0187  0.0031 -4.2756 3  333.5402712 -59516140444 242 2    43 341 2      C-13-H3C(O)CH3
  444373.0187  0.0031 -3.9671 3  333.5406712 -59516140444 242 1    43 341 1      C-13-H3C(O)CH3
  444373.0187  0.0031 -4.2756 3  333.5402712 -59516140444 342 2    43 241 2      C-13-H3C(O)CH3
  444373.0386  0.0031 -3.3913 3  333.5406712  59516140444 342 1    43 341 1      C-13-H3C(O)CH3
  444373.0386  0.0031 -3.3913 3  333.5406712  59516140444 242 1    43 241 1      C-13-H3C(O)CH3
  444373.1035  0.0031 -3.3362 3  333.5402712  59516140444 242 2    43 241 2      C-13-H3C(O)CH3
  444373.1035  0.0031 -3.3362 3  333.5402712  59516140444 342 2    43 341 2      C-13-H3C(O)CH3
  444389.1732  0.0028 -3.7831 3  298.8528292 -595161404361125 3    351224 3      C-13-H3C(O)CH3
  444389.1732  0.0028 -3.7831 3  298.8528292 -595161404361125 4    351224 4      C-13-H3C(O)CH3
  444389.1732  0.0028 -3.7831 3  298.8528292 -595161404361225 4    351124 4      C-13-H3C(O)CH3
  444389.1732  0.0028 -3.7831 3  298.8528292 -595161404361225 3    351124 3      C-13-H3C(O)CH3
  444401.6255  0.0025 -3.3534 3  333.5124712 -59516140444 342 0    43 241 0      C-13-H3C(O)CH3
  444401.6255  0.0025 -4.1486 3  333.5124712 -59516140444 242 0    43 241 0      C-13-H3C(O)CH3
  444401.6255  0.0025 -4.1486 3  333.5124712 -59516140444 342 0    43 341 0      C-13-H3C(O)CH3
  444401.6255  0.0025 -3.3534 3  333.5124712 -59516140444 242 0    43 341 0      C-13-H3C(O)CH3
  444406.0059  0.0208 -5.0176 3  707.5569484  59516140460 952 4    60 753 4      C-13-H3C(O)CH3
  444406.0059  0.0208 -5.0176 3  707.5569484  59516140460 852 4    60 853 4      C-13-H3C(O)CH3
  444406.3156  0.0207 -5.1865 3  707.5569484  59516140460 952 3    60 853 3      C-13-H3C(O)CH3
  444406.3156  0.0207 -5.1865 3  707.5569484  59516140460 852 3    60 753 3      C-13-H3C(O)CH3
  444406.3156  0.0207 -5.4824 3  707.5569484  59516140460 952 3    60 753 3      C-13-H3C(O)CH3
  444406.3156  0.0207 -5.4824 3  707.5569484  59516140460 852 3    60 853 3      C-13-H3C(O)CH3
  444417.8779  0.0176 -5.7005 3  159.4763392  5951614042418 6 1    2317 7 1      C-13-H3C(O)CH3
  444424.9397  0.0031 -3.4821 3  298.8750584 -595161404361225 1    351124 1      C-13-H3C(O)CH3
  444424.9397  0.0031 -3.4821 3  298.8750584 -595161404361125 1    351224 1      C-13-H3C(O)CH3
  444427.6087  0.0031 -3.4821 3  298.8735584 -595161404361225 2    351124 2      C-13-H3C(O)CH3
  444427.6087  0.0031 -3.4821 3  298.8735584 -595161404361125 2    351224 2      C-13-H3C(O)CH3
  444428.2539  0.0261 -6.5049 3  707.5874968  59516140460 852 1    60 853 1      C-13-H3C(O)CH3
  444428.2539  0.0261 -6.5049 3  707.5874968  59516140460 952 1    60 753 1      C-13-H3C(O)CH3
  444428.2539  0.0261 -4.7147 3  707.5874968  59516140460 852 1    60 753 1      C-13-H3C(O)CH3
  444428.2539  0.0261 -4.7147 3  707.5874968  59516140460 952 1    60 853 1      C-13-H3C(O)CH3
  444428.3177  0.0771 -5.8428 3 1350.8397C24  595161404762453 0    762254 0      C-13-H3C(O)CH3
  444428.3177  0.0771 -5.8428 3 1350.8397C24  595161404762353 0    762354 0      C-13-H3C(O)CH3
  444428.3177  0.0771 -6.0048 3 1350.8397C24  595161404762453 0    762354 0      C-13-H3C(O)CH3
  444428.3177  0.0771 -6.0048 3 1350.8397C24  595161404762353 0    762254 0      C-13-H3C(O)CH3
  444428.4212  0.0260 -6.1110 3  707.5871968  59516140460 952 2    60 853 2      C-13-H3C(O)CH3
  444428.4212  0.0260 -4.7252 3  707.5871968  59516140460 952 2    60 753 2      C-13-H3C(O)CH3
  444428.4212  0.0260 -4.7252 3  707.5871968  59516140460 852 2    60 853 2      C-13-H3C(O)CH3
  444428.4212  0.0260 -6.1110 3  707.5871968  59516140460 852 2    60 753 2      C-13-H3C(O)CH3
  444431.7871  0.0220 -5.2286 3  471.8122332  595161404412814 4    402912 4      C-13-H3C(O)CH3
  444442.2324  0.0827 -5.8766 3 1350.8592C24  595161404762453 1    762254 1      C-13-H3C(O)CH3
  444442.2324  0.0827 -5.9600 3 1350.8592C24  595161404762453 1    762354 1      C-13-H3C(O)CH3
  444442.2324  0.0827 -5.8766 3 1350.8592C24  595161404762353 1    762354 1      C-13-H3C(O)CH3
  444442.2324  0.0827 -5.9600 3 1350.8592C24  595161404762353 1    762254 1      C-13-H3C(O)CH3
  444448.6088  0.0860 -5.6447 3 1350.8605C24  595161404762453 2    762354 2      C-13-H3C(O)CH3
  444448.6088  0.0860 -5.6447 3 1350.8605C24  595161404762353 2    762254 2      C-13-H3C(O)CH3
  444449.2125  0.0195 -5.2814 3  471.8334332  595161404412814 3    402912 3      C-13-H3C(O)CH3
  444450.0923  0.0056 -3.6288 3  168.4302408 -5951614042517 9 2    2416 8 2      C-13-H3C(O)CH3
  444450.3361  0.0157 -5.0310 3  707.6176968  59516140460 952 0    60 753 0      C-13-H3C(O)CH3
  444450.3361  0.0157 -4.9876 3  707.6176968  59516140460 852 0    60 753 0      C-13-H3C(O)CH3
  444450.3361  0.0157 -5.0310 3  707.6176968  59516140460 852 0    60 853 0      C-13-H3C(O)CH3
  444450.3361  0.0157 -4.9876 3  707.6176968  59516140460 952 0    60 853 0      C-13-H3C(O)CH3
  444462.5875  0.0678 -6.3142 3 1350.8801612  595161404762453 3    762254 3      C-13-H3C(O)CH3
  444462.5875  0.0678 -5.9172 3 1350.8801612  595161404762353 3    762354 3      C-13-H3C(O)CH3
  444462.5875  0.0678 -6.1381 3 1350.8801612  595161404762353 3    762254 3      C-13-H3C(O)CH3
  444462.6627  0.0678 -5.9756 3 1350.8801612  595161404762453 4    762354 4      C-13-H3C(O)CH3
  444462.6627  0.0678 -5.9756 3 1350.8801612  595161404762353 4    762254 4      C-13-H3C(O)CH3
  444463.1318  0.0026 -3.4821 3  298.8957584 -595161404361225 0    351124 0      C-13-H3C(O)CH3
  444463.1318  0.0026 -3.4821 3  298.8957584 -595161404361125 0    351224 0      C-13-H3C(O)CH3
  444487.9860  0.0235 -6.5500 3  360.7143284  5951614043528 8 3    352510 3      C-13-H3C(O)CH3
  444495.6045  0.0524 -5.8899 3  719.3802824  595161404513220 1    512923 1      C-13-H3C(O)CH3
  444516.8944  0.0229 -5.4383 3  528.6059348  595161404433112 4    423210 4      C-13-H3C(O)CH3
  444517.9248  0.0201 -5.4381 3  528.5786348  595161404433112 3    423211 3      C-13-H3C(O)CH3
  444572.3067  0.0486 -5.8906 3  719.3782824  595161404513220 2    512923 2      C-13-H3C(O)CH3
  444583.9047  0.0179 -4.9517 3  471.8286664  595161404412814 1    402912 1      C-13-H3C(O)CH3
  444686.1819  0.0259 -6.5525 3  360.7000284  5951614043528 8 4    352511 4      C-13-H3C(O)CH3
  444695.1674  0.0162 -4.9341 3  471.8685664  595161404412813 2    402911 2      C-13-H3C(O)CH3
  444707.9778  0.0036 -3.6047 3  168.4342408 -5951614042517 9 0    2416 8 0      C-13-H3C(O)CH3
  444743.3121  0.0166 -4.9230 3  471.8557664  595161404412813 0    402912 0      C-13-H3C(O)CH3
  444745.9719  0.0168 -4.9517 3  471.8497664  595161404412813 1    402911 1      C-13-H3C(O)CH3
  444769.7106  0.0189 -6.3660 3  671.3751476  59516140459 752 4    59 653 4      C-13-H3C(O)CH3
  444769.7106  0.0189 -6.3660 3  671.3751476  59516140459 852 4    59 753 4      C-13-H3C(O)CH3
  444769.7106  0.0189 -5.0068 3  671.3751476  59516140459 852 4    59 653 4      C-13-H3C(O)CH3
  444769.7106  0.0189 -5.0068 3  671.3751476  59516140459 752 4    59 753 4      C-13-H3C(O)CH3
  444770.1280  0.0188 -5.0713 3  671.3751476  59516140459 752 3    59 753 3      C-13-H3C(O)CH3
  444770.1280  0.0188 -5.7474 3  671.3751476  59516140459 752 3    59 653 3      C-13-H3C(O)CH3
  444770.1280  0.0188 -5.0713 3  671.3751476  59516140459 852 3    59 653 3      C-13-H3C(O)CH3
  444770.1280  0.0188 -5.7474 3  671.3751476  59516140459 852 3    59 753 3      C-13-H3C(O)CH3
  444791.7471  0.0219 -6.3628 3  360.7230568  5951614043528 8 1    352511 1      C-13-H3C(O)CH3
  444805.6861  0.0257 -6.5468 3  360.7157284  5951614043528 7 4    352510 4      C-13-H3C(O)CH3
  444812.1462  0.0179 -5.2807 3  471.8410332  595161404412813 3    402911 3      C-13-H3C(O)CH3
  444829.6537  0.0162 -5.2285 3  471.8622332  595161404412813 4    402911 4      C-13-H3C(O)CH3
  444831.7616  0.0315 -6.1933 3  719.3721412  595161404513220 4    512923 4      C-13-H3C(O)CH3
  444851.2315  0.0260 -4.9578 3  671.4025952  59516140459 852 1    59 653 1      C-13-H3C(O)CH3
  444851.2315  0.0260 -4.9578 3  671.4025952  59516140459 752 1    59 753 1      C-13-H3C(O)CH3
  444851.2315  0.0260 -5.0206 3  671.4025952  59516140459 852 1    59 753 1      C-13-H3C(O)CH3
  444851.2315  0.0260 -5.0206 3  671.4025952  59516140459 752 1    59 653 1      C-13-H3C(O)CH3
  444851.6489  0.0258 -4.6882 3  671.4022952  59516140459 752 2    59 753 2      C-13-H3C(O)CH3
  444851.6489  0.0258 -4.6882 3  671.4022952  59516140459 852 2    59 653 2      C-13-H3C(O)CH3
  444927.8631  0.0088 -6.3148 3  281.7315268  595161404331617 3    331320 3      C-13-H3C(O)CH3
  444928.0048  0.0093 -6.3148 3  281.7315268  595161404331617 4    331320 4      C-13-H3C(O)CH3
  444932.6542  0.0160 -6.5692 3  671.4297952  59516140459 752 0    59 753 0      C-13-H3C(O)CH3
  444932.6542  0.0160 -4.6926 3  671.4297952  59516140459 852 0    59 753 0      C-13-H3C(O)CH3
  444932.6542  0.0160 -4.6926 3  671.4297952  59516140459 752 0    59 653 0      C-13-H3C(O)CH3
  444932.6542  0.0160 -6.5692 3  671.4297952  59516140459 852 0    59 653 0      C-13-H3C(O)CH3
  444933.0677  0.0219 -6.2493 3  360.7436568  5951614043528 7 2    352510 2      C-13-H3C(O)CH3
  444937.9498  0.0281 -6.1838 3  482.0873664  595161404413012 1    412715 1      C-13-H3C(O)CH3
  444947.4024  0.0085 -6.0136 3  281.7521536  595161404331617 2    331320 2      C-13-H3C(O)CH3
  444949.6145  0.0411 -6.1908 3  719.3721412  595161404513220 3    512923 3      C-13-H3C(O)CH3
  444961.7071  0.0148 -5.8475 3  407.1198632  595161404392118 2    391821 2      C-13-H3C(O)CH3
  444992.4190  0.0114 -5.8473 3  407.1483632  595161404392118 0    391821 0      C-13-H3C(O)CH3
  444994.8175  0.0093 -6.3147 3  281.7315268  595161404331717 4    331420 4      C-13-H3C(O)CH3
  444994.8472  0.0088 -6.3147 3  281.7315268  595161404331717 3    331420 3      C-13-H3C(O)CH3
  445005.5301  0.0241 -6.5516 3  360.7015284  5951614043528 7 3    352511 3      C-13-H3C(O)CH3
  445006.2334  0.0086 -6.0130 3  281.7544536  595161404331617 1    331320 1      C-13-H3C(O)CH3
  445014.8900  0.0085 -6.0135 3  281.7521536  595161404331717 2    331420 2      C-13-H3C(O)CH3
  445025.8316  0.0077 -6.0124 3  281.7750536  595161404331617 0    331320 0      C-13-H3C(O)CH3
  445040.1416  0.0160 -6.1480 3  407.0942316  595161404392118 3    391821 3      C-13-H3C(O)CH3
  445042.0699  0.0158 -6.1480 3  407.0942316  595161404392118 4    391821 4      C-13-H3C(O)CH3
  445042.5866  0.0489 -6.1331 3  471.8334332  595161404412813 3    402912 3      C-13-H3C(O)CH3
  445066.5466  0.0228 -6.3608 3  360.7258568  5951614043528 7 1    352510 1      C-13-H3C(O)CH3
  445070.8072  0.0127 -5.8470 3  407.1228632  595161404392118 1    391821 1      C-13-H3C(O)CH3
  445071.4004  0.0085 -6.0129 3  281.7544536  595161404331717 1    331420 1      C-13-H3C(O)CH3
  445088.5628  0.0353 -6.3842 3  482.0694332  595161404413012 4    412715 4      C-13-H3C(O)CH3
  445091.5160  0.0077 -6.0123 3  281.7750536  595161404331717 0    331420 0      C-13-H3C(O)CH3
  445107.6816  0.0182 -5.2857 3  635.7824468  59516140458 752 4    58 553 4      C-13-H3C(O)CH3
  445107.6816  0.0182 -5.2857 3  635.7824468  59516140458 652 4    58 653 4      C-13-H3C(O)CH3
  445107.6816  0.0182 -5.2720 3  635.7824468  59516140458 652 4    58 553 4      C-13-H3C(O)CH3
  445107.6816  0.0182 -5.2720 3  635.7824468  59516140458 752 4    58 653 4      C-13-H3C(O)CH3
  445108.1791  0.0180 -6.2845 3  635.7824468  59516140458 652 3    58 653 3      C-13-H3C(O)CH3
  445108.1791  0.0180 -4.9998 3  635.7824468  59516140458 752 3    58 653 3      C-13-H3C(O)CH3
  445108.1791  0.0180 -4.9998 3  635.7824468  59516140458 652 3    58 553 3      C-13-H3C(O)CH3
  445108.1791  0.0180 -6.2845 3  635.7824468  59516140458 752 3    58 553 3      C-13-H3C(O)CH3
  445129.2539  0.0752 -5.5720 3 1305.3571C08  595161404752253 0    752254 0      C-13-H3C(O)CH3
  445129.2539  0.0752 -6.6514 3 1305.3571C08  595161404752253 0    752154 0      C-13-H3C(O)CH3
  445129.2539  0.0752 -6.6514 3 1305.3571C08  595161404752353 0    752254 0      C-13-H3C(O)CH3
  445129.2539  0.0752 -5.5720 3 1305.3571C08  595161404752353 0    752154 0      C-13-H3C(O)CH3
  445136.3297  0.0216 -6.2529 3  360.7292568  5951614043528 8 2    352511 2      C-13-H3C(O)CH3
  445156.8664  0.0834 -5.7294 3 1305.3752C08  595161404752353 1    752154 1      C-13-H3C(O)CH3
  445156.8664  0.0834 -5.9838 3 1305.3752C08  595161404752353 1    752254 1      C-13-H3C(O)CH3
  445156.8664  0.0834 -5.9838 3 1305.3752C08  595161404752253 1    752154 1      C-13-H3C(O)CH3
  445156.8664  0.0834 -5.7294 3 1305.3752C08  595161404752253 1    752254 1      C-13-H3C(O)CH3
  445163.0236  0.0862 -5.5511 3 1305.3762C08  595161404752353 2    752154 2      C-13-H3C(O)CH3
  445163.0236  0.0862 -5.5380 3 1305.3762C08  595161404752253 2    752254 2      C-13-H3C(O)CH3
  445166.8023  0.0028 -4.0254 3  251.2839252  595161404311715 4    301614 4      C-13-H3C(O)CH3
  445171.1957  0.0034 -4.0254 3  251.2837252  595161404311715 3    301614 3      C-13-H3C(O)CH3
  445186.8282  0.0214 -6.2481 3  360.7538568  5951614043528 7 0    352510 0      C-13-H3C(O)CH3
  445190.7125  0.0647 -6.0724 3 1305.3943604  595161404752253 3    752254 3      C-13-H3C(O)CH3
  445190.7125  0.0647 -6.2182 3 1305.3943604  595161404752353 3    752254 3      C-13-H3C(O)CH3
  445190.7125  0.0647 -6.2182 3 1305.3943604  595161404752253 3    752154 3      C-13-H3C(O)CH3
  445190.7125  0.0647 -6.0724 3 1305.3943604  595161404752353 3    752154 3      C-13-H3C(O)CH3
  445190.8119  0.0648 -6.2543 3 1305.3944604  595161404752353 4    752154 4      C-13-H3C(O)CH3
  445190.8119  0.0648 -6.0483 3 1305.3944604  595161404752353 4    752254 4      C-13-H3C(O)CH3
  445190.8119  0.0648 -6.0483 3 1305.3944604  595161404752253 4    752154 4      C-13-H3C(O)CH3
  445190.8119  0.0648 -6.2543 3 1305.3944604  595161404752253 4    752254 4      C-13-H3C(O)CH3
  445194.3566  0.1831 -6.4703 3 1822.1530D84  595161404863254 2    863155 2      C-13-H3C(O)CH3
  445194.3566  0.1831 -6.4703 3 1822.1530D84  595161404863354 2    863255 2      C-13-H3C(O)CH3
  445207.9559  0.0032 -3.7244 3  251.3051504 -595161404311715 1    301614 1      C-13-H3C(O)CH3
  445237.2874  0.0267 -5.9806 3  482.1026664  595161404413012 0    412715 0      C-13-H3C(O)CH3
  445244.9418  0.2058 -6.6375 3 1822.1423D84  595161404863254 0    863255 0      C-13-H3C(O)CH3
  445244.9418  0.2058 -6.4617 3 1822.1423D84  595161404863254 0    863155 0      C-13-H3C(O)CH3
  445254.0816  0.0063 -3.8528 3  254.6821504 -595161404311714 2    301813 2      C-13-H3C(O)CH3
  445255.9823  0.0214 -6.2480 3  360.7515568  5951614043528 8 0    352511 0      C-13-H3C(O)CH3
  445257.5741  0.0299 -6.1296 3  482.0893664  595161404413012 2    412715 2      C-13-H3C(O)CH3
  445262.7010  0.0247 -4.7363 3  635.8041936  59516140458 752 1    58 553 1      C-13-H3C(O)CH3
  445262.7010  0.0247 -5.5668 3  635.8041936  59516140458 752 1    58 653 1      C-13-H3C(O)CH3
  445262.7010  0.0247 -4.7363 3  635.8041936  59516140458 652 1    58 653 1      C-13-H3C(O)CH3
  445262.7010  0.0247 -5.5668 3  635.8041936  59516140458 652 1    58 553 1      C-13-H3C(O)CH3
  445263.3513  0.0243 -4.8709 3  635.8038936  59516140458 752 2    58 653 2      C-13-H3C(O)CH3
  445263.3513  0.0243 -5.1190 3  635.8038936  59516140458 652 2    58 653 2      C-13-H3C(O)CH3
  445263.3513  0.0243 -5.1190 3  635.8038936  59516140458 752 2    58 553 2      C-13-H3C(O)CH3
  445263.3513  0.0243 -4.8709 3  635.8038936  59516140458 652 2    58 553 2      C-13-H3C(O)CH3
  445274.9815  0.0084 -4.1526 3  254.6671252  595161404311714 3    301813 3      C-13-H3C(O)CH3
  445282.0696  0.0031 -3.7247 3  251.2974504 -595161404311715 2    301614 2      C-13-H3C(O)CH3
  445284.4040  0.0064 -4.1525 3  254.6670252  595161404311714 4    301813 4      C-13-H3C(O)CH3
  445299.9473  0.0436 -6.4519 3  811.4423824  5951614045145 6 1    5046 4 1      C-13-H3C(O)CH3
  445319.4393  0.0029 -3.7248 3  251.3187504 -595161404311715 0    301614 0      C-13-H3C(O)CH3
  445348.8505  0.0028 -4.5445 3  306.5545300 -595161404371127 3    361026 3      C-13-H3C(O)CH3
  445348.8505  0.0029 -3.8845 3  306.5545300 -595161404371027 4    361126 4      C-13-H3C(O)CH3
  445348.8505  0.0029 -3.8845 3  306.5545300 -595161404371127 4    361026 4      C-13-H3C(O)CH3
  445348.8505  0.0028 -3.8399 3  306.5545300 -595161404371027 3    361126 3      C-13-H3C(O)CH3
  445348.8656  0.0029 -4.3491 3  306.5545300  595161404371027 4    361026 4      C-13-H3C(O)CH3
  445348.8656  0.0029 -4.3491 3  306.5545300  595161404371127 4    361126 4      C-13-H3C(O)CH3
  445348.9533  0.0028 -3.8072 3  306.5545300  595161404371127 3    361126 3      C-13-H3C(O)CH3
  445348.9533  0.0028 -4.3820 3  306.5545300  595161404371027 3    361026 3      C-13-H3C(O)CH3
  445368.5778  0.0055 -3.8524 3  254.7024504 -595161404311714 0    301813 0      C-13-H3C(O)CH3
  445378.2130  0.0293 -6.1208 3  471.8286664  595161404412813 1    402912 1      C-13-H3C(O)CH3
  445384.8120  0.0032 -3.5228 3  306.5757600  595161404371127 1    361126 1      C-13-H3C(O)CH3
  445384.8120  0.0032 -3.5228 3  306.5757600  595161404371027 1    361026 1      C-13-H3C(O)CH3
  445384.8398  0.0032 -4.2976 3  306.5757600 -595161404371027 1    361126 1      C-13-H3C(O)CH3
  445384.8398  0.0032 -4.2976 3  306.5757600 -595161404371127 1    361026 1      C-13-H3C(O)CH3
  445386.7577  0.0031 -3.4652 3  306.5745600  595161404371027 2    361026 2      C-13-H3C(O)CH3
  445386.7577  0.0031 -3.4728 3  306.5745600  595161404371127 2    361126 2      C-13-H3C(O)CH3
  445386.8077  0.0031 -5.1084 3  306.5745600 -595161404371027 2    361126 2      C-13-H3C(O)CH3
  445386.8077  0.0031 -4.8611 3  306.5745600 -595161404371127 2    361026 2      C-13-H3C(O)CH3
  445390.9278  0.0066 -3.8512 3  254.6874504 -595161404311714 1    301813 1      C-13-H3C(O)CH3
  445406.2585  0.0471 -6.4527 3  811.4200824  5951614045145 6 2    5046 4 2      C-13-H3C(O)CH3
  445417.6694  0.0162 -5.1853 3  635.8255936  59516140458 652 0    58 553 0      C-13-H3C(O)CH3
  445417.6694  0.0162 -4.8370 3  635.8255936  59516140458 652 0    58 653 0      C-13-H3C(O)CH3
  445417.6694  0.0162 -5.1853 3  635.8255936  59516140458 752 0    58 653 0      C-13-H3C(O)CH3
  445417.6694  0.0162 -4.8370 3  635.8255936  59516140458 752 0    58 553 0      C-13-H3C(O)CH3
  445419.4720  0.0196 -5.5361 3  600.7801460  59516140457 652 4    57 453 4      C-13-H3C(O)CH3
  445419.4720  0.0196 -5.1225 3  600.7801460  59516140457 552 4    57 453 4      C-13-H3C(O)CH3
  445419.4720  0.0196 -5.5361 3  600.7801460  59516140457 552 4    57 553 4      C-13-H3C(O)CH3
  445419.4720  0.0196 -5.1225 3  600.7801460  59516140457 652 4    57 553 4      C-13-H3C(O)CH3
  445419.9903  0.0192 -5.0179 3  600.7801460  59516140457 552 3    57 553 3      C-13-H3C(O)CH3
  445419.9903  0.0192 -6.0683 3  600.7801460  59516140457 552 3    57 453 3      C-13-H3C(O)CH3
  445419.9903  0.0192 -6.0683 3  600.7801460  59516140457 652 3    57 553 3      C-13-H3C(O)CH3
  445419.9903  0.0192 -5.0179 3  600.7801460  59516140457 652 3    57 453 3      C-13-H3C(O)CH3
  445422.4966  0.0026 -3.4677 3  306.5956600 -595161404371027 0    361126 0      C-13-H3C(O)CH3
  445422.4966  0.0026 -5.0121 3  306.5956600 -595161404371127 0    361126 0      C-13-H3C(O)CH3
  445422.5538  0.0026 -3.5947 3  306.5956600  595161404371127 0    361026 0      C-13-H3C(O)CH3
  445422.5538  0.0026 -4.0172 3  306.5956600  595161404371027 0    361026 0      C-13-H3C(O)CH3
  445466.4797  0.0032 -3.5961 3  336.3291364  59516140445 244 3    44 243 3      C-13-H3C(O)CH3
  445466.4797  0.0032 -4.8174 3  336.3291364  59516140445 144 3    44 243 3      C-13-H3C(O)CH3
  445466.4950  0.0032 -3.7020 3  336.3291364  59516140445 144 4    44 243 4      C-13-H3C(O)CH3
  445466.4950  0.0032 -4.1544 3  336.3291364  59516140445 244 4    44 243 4      C-13-H3C(O)CH3
  445466.5438  0.0032 -3.7020 3  336.3291364 -59516140445 244 4    44 143 4      C-13-H3C(O)CH3
  445466.5438  0.0032 -4.1544 3  336.3291364 -59516140445 144 4    44 143 4      C-13-H3C(O)CH3
  445466.5438  0.0032 -3.5961 3  336.3291364 -59516140445 144 3    44 143 3      C-13-H3C(O)CH3
  445466.5438  0.0032 -4.8174 3  336.3291364 -59516140445 244 3    44 143 3      C-13-H3C(O)CH3
  445485.5481  0.0036 -3.2951 3  336.2840728 -59516140445 244 2    44 143 2      C-13-H3C(O)CH3
  445485.5481  0.0038 -3.4656 3  336.2844728 -59516140445 244 1    44 143 1      C-13-H3C(O)CH3
  445485.5481  0.0038 -3.4656 3  336.2844728 -59516140445 144 1    44 243 1      C-13-H3C(O)CH3
  445485.5481  0.0036 -4.5140 3  336.2840728 -59516140445 144 2    44 143 2      C-13-H3C(O)CH3
  445485.5552  0.0038 -3.7095 3  336.2844728  59516140445 144 1    44 143 1      C-13-H3C(O)CH3
  445485.5552  0.0038 -3.7095 3  336.2844728  59516140445 244 1    44 243 1      C-13-H3C(O)CH3
  445485.6111  0.0036 -4.5140 3  336.2840728  59516140445 244 2    44 243 2      C-13-H3C(O)CH3
  445485.6111  0.0036 -3.2951 3  336.2840728  59516140445 144 2    44 243 2      C-13-H3C(O)CH3
  445504.5894  0.0030 -4.1399 3  336.2394728 -59516140445 244 0    44 243 0      C-13-H3C(O)CH3
  445504.5894  0.0030 -4.1399 3  336.2394728 -59516140445 144 0    44 143 0      C-13-H3C(O)CH3
  445504.6321  0.0030 -3.3324 3  336.2394728  59516140445 144 0    44 243 0      C-13-H3C(O)CH3
  445504.6321  0.0030 -3.3324 3  336.2394728  59516140445 244 0    44 143 0      C-13-H3C(O)CH3
  445515.2727  0.0346 -6.4951 3  482.0791332  595161404413012 3    412715 3      C-13-H3C(O)CH3
  445523.1639  0.0028 -6.1845 3  165.5891204  595161404251610 4    241510 4      C-13-H3C(O)CH3
  445525.2749  0.0468 -6.4522 3  811.4119824  5951614045145 7 1    5046 5 1      C-13-H3C(O)CH3
  445558.2461  0.0095 -5.7227 3   68.9022264  5951614041614 2 0    1511 5 0      C-13-H3C(O)CH3
  445558.5663  0.0443 -6.5160 3  471.8397664  595161404412813 2    402912 2      C-13-H3C(O)CH3
  445573.7438  0.0262 -6.4973 3  159.4433196  5951614042418 6 4    2317 7 4      C-13-H3C(O)CH3
  445586.9959  0.0461 -5.8718 3  689.3627808  595161404503120 0    502823 0      C-13-H3C(O)CH3
  445622.0537  0.0413 -6.4511 3  811.3950824  5951614045145 7 0    5046 4 0      C-13-H3C(O)CH3
  445622.0537  0.0413 -6.4511 3  811.3950824  5951614045145 6 0    5046 5 0      C-13-H3C(O)CH3
  445638.8355  0.0094 -5.8696 3   70.5226140  5951614041711 6 3    16 8 9 3      C-13-H3C(O)CH3
  445652.8816  0.0326 -6.4068 3  482.0873664  595161404413011 1    412715 1      C-13-H3C(O)CH3
  445653.4381  0.0027 -6.2955 3  165.5940408  595161404251610 1    241510 1      C-13-H3C(O)CH3
  445663.7500  0.0232 -4.6928 3  600.7929920  59516140457 552 1    57 453 1      C-13-H3C(O)CH3
  445663.7500  0.0232 -6.1925 3  600.7929920  59516140457 652 1    57 453 1      C-13-H3C(O)CH3
  445663.7500  0.0232 -4.6928 3  600.7929920  59516140457 652 1    57 553 1      C-13-H3C(O)CH3
  445663.7500  0.0232 -6.1925 3  600.7929920  59516140457 552 1    57 553 1      C-13-H3C(O)CH3
  445664.5320  0.0220 -4.7531 3  600.7925920  59516140457 552 2    57 553 2      C-13-H3C(O)CH3
  445664.5320  0.0220 -5.4847 3  600.7925920  59516140457 552 2    57 453 2      C-13-H3C(O)CH3
  445664.5320  0.0220 -5.4847 3  600.7925920  59516140457 652 2    57 553 2      C-13-H3C(O)CH3
  445664.5320  0.0220 -4.7531 3  600.7925920  59516140457 652 2    57 453 2      C-13-H3C(O)CH3
  445670.0034  0.0694 -6.1786 3  602.4935380  595161404472720 3    472423 3      C-13-H3C(O)CH3
  445677.9777  0.0704 -6.1787 3  602.4935380  595161404472720 4    472423 4      C-13-H3C(O)CH3
  445704.6301  0.0238 -5.3409 3  566.3692452  59516140456 552 4    56 453 4      C-13-H3C(O)CH3
  445704.6301  0.0238 -5.2696 3  566.3692452  59516140456 552 4    56 353 4      C-13-H3C(O)CH3
  445704.6301  0.0238 -5.2696 3  566.3692452  59516140456 452 4    56 453 4      C-13-H3C(O)CH3
  445704.6301  0.0238 -5.3409 3  566.3692452  59516140456 452 4    56 353 4      C-13-H3C(O)CH3
  445705.0646  0.0231 -5.0085 3  566.3692452  59516140456 452 3    56 453 3      C-13-H3C(O)CH3
  445705.0646  0.0231 -5.0085 3  566.3692452  59516140456 552 3    56 353 3      C-13-H3C(O)CH3
  445757.0091  0.0098 -5.8746 3   70.5226140  5951614041711 6 4    16 8 9 4      C-13-H3C(O)CH3
  445779.1940  0.0081 -5.5622 3   70.4869280  5951614041711 6 2    16 8 9 2      C-13-H3C(O)CH3
  445803.3370  0.0730 -5.4819 3 1260.4487B92  595161404742153 0    742054 0      C-13-H3C(O)CH3
  445803.3370  0.0730 -5.4819 3 1260.4487B92  595161404742253 0    742154 0      C-13-H3C(O)CH3
  445823.4752  0.0446 -5.8717 3  689.3547808  595161404503120 1    502823 1      C-13-H3C(O)CH3
  445844.8056  0.0686 -5.8784 3  602.5080760  595161404472720 2    472423 2      C-13-H3C(O)CH3
  445845.3407  0.0832 -5.4612 3 1260.4647B92  595161404742153 1    742154 1      C-13-H3C(O)CH3
  445845.3407  0.0832 -5.4612 3 1260.4647B92  595161404742253 1    742054 1      C-13-H3C(O)CH3
  445851.0892  0.0855 -6.0028 3 1260.4654B92  595161404742253 2    742154 2      C-13-H3C(O)CH3
  445851.0892  0.0855 -5.6083 3 1260.4654B92  595161404742253 2    742054 2      C-13-H3C(O)CH3
  445851.0892  0.0855 -6.0028 3 1260.4654B92  595161404742153 2    742054 2      C-13-H3C(O)CH3
  445851.0892  0.0855 -5.6083 3 1260.4654B92  595161404742153 2    742154 2      C-13-H3C(O)CH3
  445867.8222  0.0473 -6.4519 3  811.3950824  5951614045145 7 2    5046 5 2      C-13-H3C(O)CH3
  445874.8939  0.0373 -5.8720 3  689.3525808  595161404503120 2    502823 2      C-13-H3C(O)CH3
  445893.1815  0.0617 -6.0114 3 1260.4814596  595161404742253 3    742054 3      C-13-H3C(O)CH3
  445893.1815  0.0617 -6.1219 3 1260.4814596  595161404742253 3    742154 3      C-13-H3C(O)CH3
  445893.1815  0.0617 -6.0114 3 1260.4814596  595161404742153 3    742154 3      C-13-H3C(O)CH3
  445893.1815  0.0617 -6.1219 3 1260.4814596  595161404742153 3    742054 3      C-13-H3C(O)CH3
  445893.3051  0.0618 -5.7646 3 1260.4815596  595161404742153 4    742054 4      C-13-H3C(O)CH3
  445893.3051  0.0618 -5.7646 3 1260.4815596  595161404742253 4    742154 4      C-13-H3C(O)CH3
  445894.3502  0.0077 -5.5660 3   70.4888280  5951614041711 6 1    16 8 9 1      C-13-H3C(O)CH3
  445907.9376  0.0166 -4.9134 3  600.8053920  59516140457 552 0    57 453 0      C-13-H3C(O)CH3
  445907.9376  0.0166 -5.0579 3  600.8053920  59516140457 652 0    57 453 0      C-13-H3C(O)CH3
  445907.9376  0.0166 -5.0579 3  600.8053920  59516140457 552 0    57 553 0      C-13-H3C(O)CH3
  445907.9376  0.0166 -4.9134 3  600.8053920  59516140457 652 0    57 553 0      C-13-H3C(O)CH3
  445946.1665  0.0446 -5.9180 3  674.8741792  595161404493317 0    493020 0      C-13-H3C(O)CH3
  445957.5265  0.0477 -6.5108 3  770.0134404  5951614045043 7 4    4944 5 4      C-13-H3C(O)CH3
  445962.7182  0.0310 -5.9823 3  532.5509444  59516140455 352 4    55 253 4      C-13-H3C(O)CH3
  445962.7182  0.0310 -5.1084 3  532.5509444  59516140455 352 4    55 353 4      C-13-H3C(O)CH3
  445962.7182  0.0310 -5.9823 3  532.5509444  59516140455 452 4    55 353 4      C-13-H3C(O)CH3
  445962.7182  0.0310 -5.1084 3  532.5509444  59516140455 452 4    55 253 4      C-13-H3C(O)CH3
  445962.9022  0.0302 -5.0685 3  532.5508444  59516140455 452 3    55 253 3      C-13-H3C(O)CH3
  445962.9022  0.0302 -6.5350 3  532.5508444  59516140455 452 3    55 353 3      C-13-H3C(O)CH3
  445962.9022  0.0302 -6.5350 3  532.5508444  59516140455 352 3    55 253 3      C-13-H3C(O)CH3
  445962.9022  0.0302 -5.0685 3  532.5508444  59516140455 352 3    55 353 3      C-13-H3C(O)CH3
  445977.1544  0.0069 -5.5571 3   70.4532280  5951614041711 6 0    16 8 9 0      C-13-H3C(O)CH3
  446011.7746  0.0335 -6.2085 3  769.9939808  5951614045043 7 1    4944 5 1      C-13-H3C(O)CH3
  446021.0568  0.0685 -5.9174 3  749.9452840  595161404523320 0    523023 0      C-13-H3C(O)CH3
  446045.6352  0.0346 -5.8783 3  602.5105760  595161404472720 1    472423 1      C-13-H3C(O)CH3
  446055.4641  0.0248 -4.7024 3  566.3693904  59516140456 452 1    56 453 1      C-13-H3C(O)CH3
  446055.4641  0.0248 -4.7024 3  566.3693904  59516140456 552 1    56 353 1      C-13-H3C(O)CH3
  446056.1743  0.0223 -4.8164 3  566.3689904  59516140456 552 2    56 453 2      C-13-H3C(O)CH3
  446056.1743  0.0223 -4.8164 3  566.3689904  59516140456 452 2    56 353 2      C-13-H3C(O)CH3
  446056.1743  0.0223 -5.3321 3  566.3689904  59516140456 452 2    56 453 2      C-13-H3C(O)CH3
  446056.1743  0.0223 -5.3321 3  566.3689904  59516140456 552 2    56 353 2      C-13-H3C(O)CH3
  446080.2573  0.0276 -6.1733 3  689.3444404  595161404503120 4    502823 4      C-13-H3C(O)CH3
  446089.6969  0.0452 -6.0952 3  674.8698792  595161404493317 1    493020 1      C-13-H3C(O)CH3
  446106.6397  0.0338 -5.2488 3  419.0487316  595161404392515 4    382612 4      C-13-H3C(O)CH3
  446136.9369  0.0466 -6.5237 3  482.0893664  595161404413011 2    412715 2      C-13-H3C(O)CH3
  446146.2383  0.0300 -6.1726 3  689.3444404  595161404503120 3    502823 3      C-13-H3C(O)CH3
  446148.8492  0.0270 -6.4525 3  419.0377308  5951614043829 9 3    382612 3      C-13-H3C(O)CH3
  446179.6617  0.1606 -6.5859 3 1770.9629D68  595161404853154 2    853155 2      C-13-H3C(O)CH3
  446179.6617  0.1606 -6.5859 3 1770.9629D68  595161404853254 2    853055 2      C-13-H3C(O)CH3
  446180.6490  0.1729 -6.3743 3 1770.9591D68  595161404853254 1    853055 1      C-13-H3C(O)CH3
  446180.6490  0.1729 -6.3743 3 1770.9591D68  595161404853154 1    853155 1      C-13-H3C(O)CH3
  446191.0368  0.0191 -6.3839 3   76.8716140  5951614041714 4 4    1611 5 4      C-13-H3C(O)CH3
  446193.0172  0.0407 -5.5247 3  499.3261436  59516140454 352 3    54 253 3      C-13-H3C(O)CH3
  446193.0172  0.0407 -5.4008 3  499.3261436  59516140454 352 3    54 153 3      C-13-H3C(O)CH3
  446193.0172  0.0407 -5.5247 3  499.3261436  59516140454 252 3    54 153 3      C-13-H3C(O)CH3
  446193.0172  0.0407 -5.4008 3  499.3261436  59516140454 252 3    54 253 3      C-13-H3C(O)CH3
  446193.3341  0.0416 -5.1970 3  499.3261436  59516140454 352 4    54 253 4      C-13-H3C(O)CH3
  446193.3341  0.0416 -6.2167 3  499.3261436  59516140454 352 4    54 153 4      C-13-H3C(O)CH3
  446193.3341  0.0416 -5.1970 3  499.3261436  59516140454 252 4    54 153 4      C-13-H3C(O)CH3
  446193.3341  0.0416 -6.2167 3  499.3261436  59516140454 252 4    54 253 4      C-13-H3C(O)CH3
  446208.6880  0.0366 -6.2089 3  769.9730808  5951614045043 7 2    4944 5 2      C-13-H3C(O)CH3
  446216.0211  0.0375 -5.8790 3  602.5249760  595161404472720 0    472423 0      C-13-H3C(O)CH3
  446224.3325  0.0469 -6.5108 3  769.9800404  5951614045043 8 3    4944 6 3      C-13-H3C(O)CH3
  446228.3505  0.1802 -6.4272 3 1770.9494D68  595161404853154 0    853055 0      C-13-H3C(O)CH3
  446228.3505  0.1802 -6.4027 3 1770.9494D68  595161404853254 0    853155 0      C-13-H3C(O)CH3
  446245.5986  0.0615 -6.1177 3  674.8682792  595161404493317 2    493020 2      C-13-H3C(O)CH3
  446249.5189  0.0270 -4.8897 3  419.0635632  595161404392515 2    382612 2      C-13-H3C(O)CH3
  446263.0460  0.0327 -6.2076 3  769.9533808  5951614045043 7 0    4944 5 0      C-13-H3C(O)CH3
  446263.0460  0.0327 -6.2076 3  769.9533808  5951614045043 8 0    4944 6 0      C-13-H3C(O)CH3
  446267.2366  0.0653 -6.4468 3  674.8632396  595161404493317 4    493020 4      C-13-H3C(O)CH3
  446277.3678  0.0373 -6.2085 3  769.9604808  5951614045043 8 1    4944 6 1      C-13-H3C(O)CH3
  446344.7162  0.0436 -6.5098 3  769.9929404  5951614045043 7 3    4944 5 3      C-13-H3C(O)CH3
  446347.4239  0.0232 -6.0877 3  419.0662616  5951614043829 9 0    382612 0      C-13-H3C(O)CH3
  446356.2044  0.0029 -3.7967 3  313.6970308  595161404381029 4    371028 4      C-13-H3C(O)CH3
  446356.2044  0.0029 -3.7382 3  313.6970308  59516140438 929 4    37 928 4      C-13-H3C(O)CH3
  446356.2172  0.0028 -4.7104 3  313.6970308 -59516140438 929 3    37 928 3      C-13-H3C(O)CH3
  446356.2172  0.0028 -3.7804 3  313.6970308 -595161404381029 3    37 928 3      C-13-H3C(O)CH3
  446356.2172  0.0029 -4.5922 3  313.6970308 -595161404381029 4    37 928 4      C-13-H3C(O)CH3
  446356.2172  0.0029 -5.5950 3  313.6970308 -59516140438 929 4    371028 4      C-13-H3C(O)CH3
  446356.2844  0.0028 -3.7804 3  313.6970308  59516140438 929 3    371028 3      C-13-H3C(O)CH3
  446356.2844  0.0028 -4.7104 3  313.6970308  595161404381029 3    371028 3      C-13-H3C(O)CH3
  446365.4323  0.0261 -6.4003 3  419.0487308  5951614043829 9 4    382612 4      C-13-H3C(O)CH3
  446390.1474  0.0238 -6.1776 3  419.0482616  5951614043829 9 1    382612 1      C-13-H3C(O)CH3
  446392.7894  0.0032 -3.8487 3  313.7166616  595161404381029 1    371028 1      C-13-H3C(O)CH3
  446392.7894  0.0032 -3.8487 3  313.7166616  59516140438 929 1    37 928 1      C-13-H3C(O)CH3
  446392.7912  0.0032 -3.6404 3  313.7166616 -59516140438 929 1    371028 1      C-13-H3C(O)CH3
  446392.7912  0.0032 -3.6404 3  313.7166616 -595161404381029 1    37 928 1      C-13-H3C(O)CH3
  446394.2224  0.0032 -3.7536 3  313.7156616  59516140438 929 2    371028 2      C-13-H3C(O)CH3
  446394.2224  0.0032 -3.7118 3  313.7156616  595161404381029 2    371028 2      C-13-H3C(O)CH3
  446394.2501  0.0032 -3.7118 3  313.7156616 -59516140438 929 2    37 928 2      C-13-H3C(O)CH3
  446394.2501  0.0032 -3.7536 3  313.7156616 -595161404381029 2    37 928 2      C-13-H3C(O)CH3
  446394.9555  0.0552 -5.3888 3  466.6961428  59516140453 252 3    53 153 3      C-13-H3C(O)CH3
  446394.9555  0.0552 -5.3888 3  466.6961428  59516140453 152 3    53 053 3      C-13-H3C(O)CH3
  446396.1336  0.0559 -5.3881 3  466.6961428  59516140453 152 4    53 053 4      C-13-H3C(O)CH3
  446396.1336  0.0559 -5.3881 3  466.6961428  59516140453 252 4    53 153 4      C-13-H3C(O)CH3
  446406.0039  0.0193 -4.7354 3  566.3691904  59516140456 452 0    56 453 0      C-13-H3C(O)CH3
  446406.0039  0.0193 -5.8069 3  566.3691904  59516140456 552 0    56 453 0      C-13-H3C(O)CH3
  446406.0039  0.0193 -5.8069 3  566.3691904  59516140456 452 0    56 353 0      C-13-H3C(O)CH3
  446406.0039  0.0193 -4.7354 3  566.3691904  59516140456 552 0    56 353 0      C-13-H3C(O)CH3
  446410.2667  0.0710 -6.2684 3  839.4097904  595161404563027 0    553124 0      C-13-H3C(O)CH3
  446421.7654  0.0607 -5.9193 3  749.9411840  595161404523320 1    523023 1      C-13-H3C(O)CH3
  446424.0534  0.0239 -6.1147 3  419.0635616  5951614043829 9 2    382612 2      C-13-H3C(O)CH3
  446430.6650  0.0027 -4.6035 3  313.7351616  595161404381029 0    371028 0      C-13-H3C(O)CH3
  446430.6650  0.0027 -4.6035 3  313.7351616  59516140438 929 0    37 928 0      C-13-H3C(O)CH3
  446430.6723  0.0027 -3.4614 3  313.7351616 -59516140438 929 0    371028 0      C-13-H3C(O)CH3
  446430.6723  0.0027 -3.4614 3  313.7351616 -595161404381029 0    37 928 0      C-13-H3C(O)CH3
  446438.9219  0.0341 -5.0827 3  532.5341888  59516140455 352 1    55 253 1      C-13-H3C(O)CH3
  446438.9219  0.0341 -5.0247 3  532.5341888  59516140455 352 1    55 353 1      C-13-H3C(O)CH3
  446438.9219  0.0341 -5.0827 3  532.5341888  59516140455 452 1    55 353 1      C-13-H3C(O)CH3
  446438.9219  0.0341 -5.0247 3  532.5341888  59516140455 452 1    55 253 1      C-13-H3C(O)CH3
  446439.2356  0.0307 -4.7585 3  532.5337888  59516140455 352 2    55 353 2      C-13-H3C(O)CH3
  446439.2356  0.0307 -6.5550 3  532.5337888  59516140455 352 2    55 253 2      C-13-H3C(O)CH3
  446439.2356  0.0307 -6.5550 3  532.5337888  59516140455 452 2    55 353 2      C-13-H3C(O)CH3
  446439.2356  0.0307 -4.7585 3  532.5337888  59516140455 452 2    55 253 2      C-13-H3C(O)CH3
  446451.9391  0.0701 -5.3987 3 1216.1155B76  595161404732053 0    731954 0      C-13-H3C(O)CH3
  446451.9391  0.0701 -5.3987 3 1216.1155B76  595161404732153 0    732054 0      C-13-H3C(O)CH3
  446475.9170  0.0245 -6.1789 3  419.0271616  595161404382910 1    382613 1      C-13-H3C(O)CH3
  446489.9370  0.0247 -5.1120 3  419.0377316  595161404392515 3    382612 3      C-13-H3C(O)CH3
  446508.6262  0.0815 -5.7578 3 1216.1288B76  595161404732153 1    732054 1      C-13-H3C(O)CH3
  446508.6262  0.0815 -5.7578 3 1216.1288B76  595161404732053 1    731954 1      C-13-H3C(O)CH3
  446508.6262  0.0815 -5.6285 3 1216.1288B76  595161404732053 1    732054 1      C-13-H3C(O)CH3
  446508.6262  0.0815 -5.6285 3 1216.1288B76  595161404732153 1    731954 1      C-13-H3C(O)CH3
  446511.9202  0.0045 -4.8303 3   79.4198156  59516140419 712 3    18 613 3      C-13-H3C(O)CH3
  446512.1791  0.0061 -4.8303 3   79.4198156  59516140419 712 4    18 613 4      C-13-H3C(O)CH3
  446513.8106  0.0833 -5.4760 3 1216.1292B76  595161404732053 2    732054 2      C-13-H3C(O)CH3
  446513.8106  0.0833 -5.4760 3 1216.1292B76  595161404732153 2    731954 2      C-13-H3C(O)CH3
  446513.8106  0.0833 -6.1212 3 1216.1292B76  595161404732153 2    732054 2      C-13-H3C(O)CH3
  446513.8106  0.0833 -6.1212 3 1216.1292B76  595161404732053 2    731954 2      C-13-H3C(O)CH3
  446514.7355  0.0045 -4.8303 3   79.4198156  59516140419 812 3    18 513 3      C-13-H3C(O)CH3
  446514.9668  0.0061 -4.8303 3   79.4198156  59516140419 812 4    18 513 4      C-13-H3C(O)CH3
  446515.5193  0.0646 -5.9207 3  749.9394840  595161404523320 2    523023 2      C-13-H3C(O)CH3
  446570.5980  0.0587 -5.7577 3 1216.1425588  595161404732053 3    732054 3      C-13-H3C(O)CH3
  446570.5980  0.0587 -6.5190 3 1216.1425588  595161404732053 3    731954 3      C-13-H3C(O)CH3
  446570.5980  0.0587 -5.7577 3 1216.1425588  595161404732153 3    731954 3      C-13-H3C(O)CH3
  446570.5980  0.0587 -6.5190 3 1216.1425588  595161404732153 3    732054 3      C-13-H3C(O)CH3
  446570.7450  0.0588 -5.7433 3 1216.1425588  595161404732053 4    731954 4      C-13-H3C(O)CH3
  446570.7450  0.0588 -5.7433 3 1216.1425588  595161404732153 4    732054 4      C-13-H3C(O)CH3
  446570.7450  0.0588 -6.6125 3 1216.1425588  595161404732053 4    732054 4      C-13-H3C(O)CH3
  446570.7450  0.0588 -6.6125 3 1216.1425588  595161404732153 4    731954 4      C-13-H3C(O)CH3
  446594.5317  0.0361 -6.2079 3  769.9524808  5951614045043 8 2    4944 6 2      C-13-H3C(O)CH3
  446597.3983  0.0046 -3.5674 3  338.5549372  59516140446 146 4    45 145 4      C-13-H3C(O)CH3
  446597.3983  0.0046 -3.5674 3  338.5549372  59516140446 046 4    45 045 4      C-13-H3C(O)CH3
  446597.4075  0.0046 -3.5582 3  338.5548372  59516140446 146 3    45 145 3      C-13-H3C(O)CH3
  446597.4075  0.0046 -3.5582 3  338.5548372  59516140446 046 3    45 045 3      C-13-H3C(O)CH3
  446597.4239  0.0046 -5.3582 3  338.5548372 -59516140446 046 3    45 145 3      C-13-H3C(O)CH3
  446597.4239  0.0046 -5.3582 3  338.5548372 -59516140446 146 3    45 045 3      C-13-H3C(O)CH3
  446597.4239  0.0046 -4.9920 3  338.5549372 -59516140446 046 4    45 145 4      C-13-H3C(O)CH3
  446597.4239  0.0046 -4.9920 3  338.5549372 -59516140446 146 4    45 045 4      C-13-H3C(O)CH3
  446601.8329  0.0062 -3.4784 3  338.4883744  59516140446 146 1    45 145 1      C-13-H3C(O)CH3
  446601.8329  0.0062 -3.4784 3  338.4883744  59516140446 046 1    45 045 1      C-13-H3C(O)CH3
  446601.8901  0.0058 -3.2504 3  338.4880744 -59516140446 046 2    45 145 2      C-13-H3C(O)CH3
  446601.8901  0.0062 -3.6388 3  338.4883744 -59516140446 146 1    45 045 1      C-13-H3C(O)CH3
  446601.8901  0.0062 -3.6388 3  338.4883744 -59516140446 046 1    45 145 1      C-13-H3C(O)CH3
  446601.8901  0.0058 -3.2504 3  338.4880744 -59516140446 146 2    45 045 2      C-13-H3C(O)CH3
  446601.9879  0.0058 -6.5693 3  338.4880744  59516140446 146 2    45 145 2      C-13-H3C(O)CH3
  446601.9879  0.0058 -6.5693 3  338.4880744  59516140446 046 2    45 045 2      C-13-H3C(O)CH3
  446606.3948  0.0048 -3.2502 3  338.4216744  59516140446 046 0    45 045 0      C-13-H3C(O)CH3
  446606.4408  0.0048 -3.2502 3  338.4216744 -59516140446 146 0    45 145 0      C-13-H3C(O)CH3
  446609.1637  0.0297 -6.4047 3  419.0033308  595161404382910 4    382613 4      C-13-H3C(O)CH3
  446609.6879  0.0479 -6.5098 3  769.9594404  5951614045043 8 4    4944 6 4      C-13-H3C(O)CH3
  446685.7222  0.0671 -6.2662 3  839.4038904  595161404563027 1    553124 1      C-13-H3C(O)CH3
  446703.2970  0.0224 -5.3598 3  589.1530728  595161404453412 0    4435 9 0      C-13-H3C(O)CH3
  446703.3800  0.0224 -5.3598 3  589.1530728  595161404453411 0    443510 0      C-13-H3C(O)CH3
  446706.0984  0.0156 -4.7865 3  419.0482632  595161404392515 1    382612 1      C-13-H3C(O)CH3
  446719.3059  0.0110 -4.7302 3  419.0662632  595161404392515 0    382612 0      C-13-H3C(O)CH3
  446726.0194  0.1039 -6.2654 3  839.4026904  595161404563027 2    553124 2      C-13-H3C(O)CH3
  446749.3314  0.0111 -5.8446 3  407.1484632  595161404392218 0    391921 0      C-13-H3C(O)CH3
  446770.0176  0.0133 -5.8448 3  407.1198632  595161404392218 2    391921 2      C-13-H3C(O)CH3
  446807.6528  0.0243 -5.3602 3  589.1653728  595161404453411 1    4435 9 1      C-13-H3C(O)CH3
  446814.6420  0.0493 -4.9353 3  499.2873872  59516140454 352 2    54 153 2      C-13-H3C(O)CH3
  446814.6420  0.0493 -4.9353 3  499.2873872  59516140454 252 2    54 253 2      C-13-H3C(O)CH3
  446814.6420  0.0493 -5.6253 3  499.2873872  59516140454 352 2    54 253 2      C-13-H3C(O)CH3
  446814.6420  0.0493 -5.6253 3  499.2873872  59516140454 252 2    54 153 2      C-13-H3C(O)CH3
  446815.0221  0.2636 -6.5974 3  770.0906428  595161404533122 3    523419 3      C-13-H3C(O)CH3
  446815.1150  0.0402 -6.2276 3  749.9353420  595161404523320 4    523023 4      C-13-H3C(O)CH3
  446815.1892  0.0529 -4.8561 3  499.2877872  59516140454 252 1    54 253 1      C-13-H3C(O)CH3
  446815.1892  0.0529 -4.8561 3  499.2877872  59516140454 352 1    54 153 1      C-13-H3C(O)CH3
  446817.5230  0.0049 -4.5283 3   79.3829312  59516140419 712 2    18 613 2      C-13-H3C(O)CH3
  446820.4550  0.0049 -4.5283 3   79.3829312  59516140419 812 2    18 513 2      C-13-H3C(O)CH3
  446826.1190  0.0271 -6.4534 3  419.0144308  595161404382910 3    382613 3      C-13-H3C(O)CH3
  446836.3340  0.0047 -4.5284 3   79.3839312  59516140419 712 1    18 613 1      C-13-H3C(O)CH3
  446838.4556  0.0122 -5.8444 3  407.1229632  595161404392218 1    391921 1      C-13-H3C(O)CH3
  446839.1588  0.0047 -4.5284 3   79.3839312  59516140419 812 1    18 513 1      C-13-H3C(O)CH3
  446841.2383  0.0230 -6.0869 3  419.0498616  595161404382910 0    382613 0      C-13-H3C(O)CH3
  446859.3113  0.0139 -6.1454 3  407.0943316  595161404392218 4    391921 4      C-13-H3C(O)CH3
  446859.8760  0.0138 -6.1454 3  407.0943316  595161404392218 3    391921 3      C-13-H3C(O)CH3
  446860.4905  0.0222 -5.3592 3  589.1521728  595161404453412 2    443510 2      C-13-H3C(O)CH3
  446868.6995  0.0250 -6.1173 3  419.0297616  595161404382910 2    382613 2      C-13-H3C(O)CH3
  446898.4728  0.0225 -5.3598 3  589.1342728  595161404453412 1    443510 1      C-13-H3C(O)CH3
  446914.3748  0.0276 -6.1116 3  532.5170888  59516140455 352 0    55 253 0      C-13-H3C(O)CH3
  446914.3748  0.0276 -4.7698 3  532.5170888  59516140455 452 0    55 253 0      C-13-H3C(O)CH3
  446914.3748  0.0276 -6.1116 3  532.5170888  59516140455 452 0    55 353 0      C-13-H3C(O)CH3
  446914.3748  0.0276 -4.7698 3  532.5170888  59516140455 352 0    55 353 0      C-13-H3C(O)CH3
  446963.1603  0.0261 -5.6606 3  589.1645364  595161404453411 3    4435 9 3      C-13-H3C(O)CH3
  447003.7140  0.1011 -6.5642 3  839.3967452  595161404563027 4    553124 4      C-13-H3C(O)CH3
  447006.4568  0.1009 -6.5641 3  839.3966452  595161404563027 3    553124 3      C-13-H3C(O)CH3
  447011.5978  0.0239 -5.3597 3  589.1721728  595161404453411 2    4435 9 2      C-13-H3C(O)CH3
  447020.9787  0.0611 -6.2196 3  749.9354420  595161404523320 3    523023 3      C-13-H3C(O)CH3
  447041.8189  0.0169 -6.2810 3  341.5436568  595161404352411 1    351916 1      C-13-H3C(O)CH3
  447054.3322  0.0238 -5.6602 3  589.1332364  595161404453412 4    443510 4      C-13-H3C(O)CH3
  447076.5074  0.0663 -5.3160 3 1172.3586B60  595161404722053 0    721954 0      C-13-H3C(O)CH3
  447076.5074  0.0663 -5.3160 3 1172.3586B60  595161404721953 0    721854 0      C-13-H3C(O)CH3
  447083.5985  0.1179 -6.5789 3 1720.3481676  595161404843054 4    843055 4      C-13-H3C(O)CH3
  447083.5985  0.1179 -6.5789 3 1720.3481676  595161404843154 4    842955 4      C-13-H3C(O)CH3
  447083.6584  0.1180 -6.5867 3 1720.3481676  595161404843154 3    843055 3      C-13-H3C(O)CH3
  447083.6584  0.1180 -6.5867 3 1720.3481676  595161404843054 3    842955 3      C-13-H3C(O)CH3
  447115.9446  0.0297 -5.6611 3  589.1844364  595161404453411 4    4435 9 4      C-13-H3C(O)CH3
  447129.1542  0.1483 -6.2800 3 1720.3321D52  595161404843054 1    842955 1      C-13-H3C(O)CH3
  447129.1542  0.1483 -6.2800 3 1720.3321D52  595161404843154 1    843055 1      C-13-H3C(O)CH3
  447129.9356  0.1400 -6.2724 3 1720.3357D52  595161404843054 2    842955 2      C-13-H3C(O)CH3
  447129.9356  0.1400 -6.2724 3 1720.3357D52  595161404843154 2    843055 2      C-13-H3C(O)CH3
  447141.2151  0.0048 -4.5274 3   79.3472312  59516140419 712 0    18 613 0      C-13-H3C(O)CH3
  447144.1680  0.0048 -4.5274 3   79.3472312  59516140419 812 0    18 513 0      C-13-H3C(O)CH3
  447146.0148  0.0295 -5.9878 3  729.8518792  5951614044941 8 1    4842 6 1      C-13-H3C(O)CH3
  447147.6842  0.0783 -5.3183 3 1172.3684B60  595161404722053 1    721854 1      C-13-H3C(O)CH3
  447147.6842  0.0783 -5.3183 3 1172.3684B60  595161404721953 1    721954 1      C-13-H3C(O)CH3
  447152.1886  0.0797 -5.3442 3 1172.3687B60  595161404722053 2    721854 2      C-13-H3C(O)CH3
  447152.1886  0.0797 -6.5151 3 1172.3687B60  595161404721953 2    721854 2      C-13-H3C(O)CH3
  447152.1886  0.0797 -5.3442 3 1172.3687B60  595161404721953 2    721954 2      C-13-H3C(O)CH3
  447152.1886  0.0797 -6.5151 3 1172.3687B60  595161404722053 2    721954 2      C-13-H3C(O)CH3
  447152.6458  0.0158 -6.2817 3  341.5648568  595161404352411 0    351916 0      C-13-H3C(O)CH3
  447175.4040  0.1568 -6.2804 3 1720.3197D52  595161404843154 0    842955 0      C-13-H3C(O)CH3
  447175.4040  0.1568 -6.2773 3 1720.3197D52  595161404843054 0    843055 0      C-13-H3C(O)CH3
  447175.6973  0.0035 -5.7624 3  168.4265204  5951614042517 8 3    2416 8 3      C-13-H3C(O)CH3
  447183.2830  0.0774 -5.0876 3  466.6304856  59516140453 152 2    53 053 2      C-13-H3C(O)CH3
  447183.2830  0.0774 -5.0876 3  466.6304856  59516140453 252 2    53 153 2      C-13-H3C(O)CH3
  447185.3126  0.0810 -5.0883 3  466.6307856  59516140453 152 1    53 053 1      C-13-H3C(O)CH3
  447185.3126  0.0810 -5.0883 3  466.6307856  59516140453 252 1    53 153 1      C-13-H3C(O)CH3
  447188.3987  0.0203 -5.7998 3  419.0144316  595161404392515 3    382613 3      C-13-H3C(O)CH3
  447205.2025  0.0256 -5.6607 3  589.1533364  595161404453412 3    443510 3      C-13-H3C(O)CH3
  447207.3455  0.0618 -6.3948 3  674.8698792  595161404493316 1    493020 1      C-13-H3C(O)CH3
  447223.4768  0.0557 -5.7726 3 1172.3785580  595161404721953 3    721854 3      C-13-H3C(O)CH3
  447223.4768  0.0557 -6.0674 3 1172.3785580  595161404722053 3    721854 3      C-13-H3C(O)CH3
  447223.4768  0.0557 -6.1372 3 1172.3785580  595161404721953 3    721954 3      C-13-H3C(O)CH3
  447223.4768  0.0557 -5.8065 3 1172.3785580  595161404722053 3    721954 3      C-13-H3C(O)CH3
  447223.6451  0.0557 -5.6193 3 1172.3785580  595161404722053 4    721854 4      C-13-H3C(O)CH3
  447223.6451  0.0557 -5.6285 3 1172.3785580  595161404721953 4    721954 4      C-13-H3C(O)CH3
  447233.2846  0.0761 -6.2894 3  674.8645396  595161404493317 3    493020 3      C-13-H3C(O)CH3
  447237.0283  0.0383 -6.2898 3  729.8688396  5951614044941 8 4    4842 6 4      C-13-H3C(O)CH3
  447261.2361  0.0176 -5.2415 3  419.0297632  595161404392515 2    382613 2      C-13-H3C(O)CH3
  447308.0411  0.0286 -5.9869 3  729.8182792  5951614044941 8 0    4842 6 0      C-13-H3C(O)CH3
  447308.0411  0.0286 -5.9869 3  729.8182792  5951614044941 9 0    4842 7 0      C-13-H3C(O)CH3
  447323.9005  0.0038 -4.5137 3  168.4333204  5951614042517 8 4    2416 8 4      C-13-H3C(O)CH3
  447336.9345  0.0120 -5.6447 3  419.0271632  595161404392515 1    382613 1      C-13-H3C(O)CH3
  447365.4090  0.0801 -6.1604 3  679.5258404  595161404502822 3    493119 3      C-13-H3C(O)CH3
  447372.9105  0.0034 -4.5691 3  168.4340408  5951614042517 8 1    2416 8 1      C-13-H3C(O)CH3
  447394.8787  0.0028 -4.9416 3  320.2864316 -59516140439 931 4    38 830 4      C-13-H3C(O)CH3
  447394.8787  0.0028 -3.7360 3  320.2864316 -59516140439 831 4    38 830 4      C-13-H3C(O)CH3
  447394.8787  0.0028 -6.6299 3  320.2864316 -59516140439 931 3    38 930 3      C-13-H3C(O)CH3
  447394.8787  0.0028 -6.3478 3  320.2864316 -59516140439 831 3    38 830 3      C-13-H3C(O)CH3
  447394.9604  0.0028 -3.7782 3  320.2864316  59516140439 931 4    38 930 4      C-13-H3C(O)CH3
  447394.9604  0.0028 -4.5456 3  320.2864316  59516140439 831 4    38 930 4      C-13-H3C(O)CH3
  447395.0320  0.0028 -3.7107 3  320.2864316  59516140439 931 3    38 830 3      C-13-H3C(O)CH3
  447395.0320  0.0028 -3.7102 3  320.2864316  59516140439 831 3    38 930 3      C-13-H3C(O)CH3
  447397.8721  0.0311 -5.9879 3  729.8353792  5951614044941 8 2    4842 6 2      C-13-H3C(O)CH3
  447414.1027  0.0336 -5.9875 3  729.8174792  5951614044941 9 1    4842 7 1      C-13-H3C(O)CH3
  447424.8897  0.0033 -4.8831 3  168.4302408  5951614042517 8 2    2416 8 2      C-13-H3C(O)CH3
  447432.4108  0.0032 -4.6822 3  320.3036632  59516140439 831 1    38 830 1      C-13-H3C(O)CH3
  447432.4108  0.0032 -4.6822 3  320.3036632  59516140439 931 1    38 930 1      C-13-H3C(O)CH3
  447432.4408  0.0032 -3.4324 3  320.3036632 -59516140439 831 1    38 930 1      C-13-H3C(O)CH3
  447432.4408  0.0032 -3.4324 3  320.3036632 -59516140439 931 1    38 830 1      C-13-H3C(O)CH3
  447433.4697  0.0032 -4.1339 3  320.3028632  59516140439 831 2    38 930 2      C-13-H3C(O)CH3
  447433.4697  0.0032 -3.4993 3  320.3028632  59516140439 931 2    38 930 2      C-13-H3C(O)CH3
  447433.4772  0.0032 -3.4993 3  320.3028632 -59516140439 831 2    38 830 2      C-13-H3C(O)CH3
  447433.4772  0.0032 -4.1339 3  320.3028632 -59516140439 931 2    38 830 2      C-13-H3C(O)CH3
  447435.4870  0.0438 -5.3366 3  499.2490872  59516140454 252 0    54 253 0      C-13-H3C(O)CH3
  447435.4870  0.0438 -5.0261 3  499.2490872  59516140454 352 0    54 253 0      C-13-H3C(O)CH3
  447435.4870  0.0438 -5.0261 3  499.2490872  59516140454 252 0    54 153 0      C-13-H3C(O)CH3
  447435.4870  0.0438 -5.3366 3  499.2490872  59516140454 352 0    54 153 0      C-13-H3C(O)CH3
  447468.1838  0.0201 -5.4345 3  419.0033316  595161404392515 4    382613 4      C-13-H3C(O)CH3
  447470.7847  0.0026 -3.4192 3  320.3200632  59516140439 831 0    38 930 0      C-13-H3C(O)CH3
  447470.7847  0.0026 -5.0305 3  320.3200632  59516140439 931 0    38 930 0      C-13-H3C(O)CH3
  447470.8006  0.0026 -5.0305 3  320.3200632 -59516140439 831 0    38 830 0      C-13-H3C(O)CH3
  447470.8006  0.0026 -3.4192 3  320.3200632 -59516140439 931 0    38 830 0      C-13-H3C(O)CH3
  447487.2977  0.0265 -6.6346 3  341.5142284  595161404352411 4    351916 4      C-13-H3C(O)CH3
  447490.5176  0.0239 -6.6354 3  341.5141284  595161404352411 3    351916 3      C-13-H3C(O)CH3
  447505.3324  0.0400 -6.2896 3  729.8344396  5951614044941 9 3    4842 7 3      C-13-H3C(O)CH3
  447512.5203  0.0366 -6.2887 3  729.8519396  5951614044941 8 3    4842 6 3      C-13-H3C(O)CH3
  447528.5295  0.0691 -6.1646 3  679.5204404  595161404502822 4    493119 4      C-13-H3C(O)CH3
  447544.6781  0.0167 -5.4976 3   94.5674156  5951614041914 6 4    1811 7 4      C-13-H3C(O)CH3
  447609.4226  0.0229 -6.3363 3  341.5353568  595161404352411 2    351916 2      C-13-H3C(O)CH3
  447641.6111  0.0043 -3.5614 3  159.3466188 -5951614042321 2 4    2220 2 4      C-13-H3C(O)CH3
  447673.1682  0.0312 -5.9869 3  729.8182792  5951614044941 9 2    4842 7 2      C-13-H3C(O)CH3
  447678.5732  0.0617 -5.8804 3 1129.1787B44  595161404711853 0    711754 0      C-13-H3C(O)CH3
  447678.5732  0.0617 -5.3617 3 1129.1787B44  595161404711853 0    711854 0      C-13-H3C(O)CH3
  447678.5732  0.0617 -5.3617 3 1129.1787B44  595161404711953 0    711754 0      C-13-H3C(O)CH3
  447678.5732  0.0617 -5.8804 3 1129.1787B44  595161404711953 0    711854 0      C-13-H3C(O)CH3
  447692.9732  0.1041 -6.3562 3  674.8682792  595161404493316 2    493020 2      C-13-H3C(O)CH3
  447763.4716  0.0735 -5.3809 3 1129.1845B44  595161404711953 1    711854 1      C-13-H3C(O)CH3
  447763.4716  0.0735 -5.8218 3 1129.1845B44  595161404711853 1    711854 1      C-13-H3C(O)CH3
  447763.4716  0.0735 -5.8218 3 1129.1845B44  595161404711953 1    711754 1      C-13-H3C(O)CH3
  447763.4716  0.0735 -5.3809 3 1129.1845B44  595161404711853 1    711754 1      C-13-H3C(O)CH3
  447767.2228  0.0745 -5.2495 3 1129.1846B44  595161404711853 2    711754 2      C-13-H3C(O)CH3
  447767.2228  0.0745 -5.3244 3 1129.1846B44  595161404711953 2    711854 2      C-13-H3C(O)CH3
  447767.2228  0.0745 -6.0320 3 1129.1846B44  595161404711853 2    711854 2      C-13-H3C(O)CH3
  447779.3171  0.0413 -6.2885 3  729.8174396  5951614044941 9 4    4842 7 4      C-13-H3C(O)CH3
  447804.0849  0.0037 -3.5610 3  159.2887188 -5951614042321 3 3    2220 3 3      C-13-H3C(O)CH3
  447849.1432  0.0850 -5.8578 3  679.5220808  595161404502822 2    493119 2      C-13-H3C(O)CH3
  447852.2424  0.0525 -5.6215 3 1129.1904572  595161404711953 3    711854 3      C-13-H3C(O)CH3
  447852.2424  0.0525 -6.3524 3 1129.1904572  595161404711953 3    711754 3      C-13-H3C(O)CH3
  447852.2424  0.0525 -5.6215 3 1129.1904572  595161404711853 3    711754 3      C-13-H3C(O)CH3
  447852.2424  0.0525 -6.3524 3 1129.1904572  595161404711853 3    711854 3      C-13-H3C(O)CH3
  447852.4285  0.0526 -5.5522 3 1129.1904572  595161404711853 4    711854 4      C-13-H3C(O)CH3
  447852.4285  0.0526 -5.5522 3 1129.1904572  595161404711953 4    711754 4      C-13-H3C(O)CH3
  447867.3077  0.0039 -3.5608 3  159.2933188 -5951614042321 2 3    2220 2 3      C-13-H3C(O)CH3
  447870.2466  0.0036 -3.2598 3  159.3522376 -5951614042321 2 1    2220 2 1      C-13-H3C(O)CH3
  447901.5296  0.0036 -3.2598 3  159.3683376 -5951614042321 2 2    2220 2 2      C-13-H3C(O)CH3
  447918.3256  0.0093 -4.0823 3  194.2225220  595161404271711 4    261610 4      C-13-H3C(O)CH3
  447935.6558  0.0093 -4.0816 3  194.2226220  595161404271711 3    261610 3      C-13-H3C(O)CH3
  447936.4739  0.0142 -5.0464 3  104.2533164  5951614042014 7 4    1911 8 4      C-13-H3C(O)CH3
  447971.6738  0.0690 -5.0972 3  466.5652856  59516140453 252 0    53 053 0      C-13-H3C(O)CH3
  447971.6738  0.0690 -6.5404 3  466.5652856  59516140453 252 0    53 153 0      C-13-H3C(O)CH3
  447971.6738  0.0690 -6.5404 3  466.5652856  59516140453 152 0    53 053 0      C-13-H3C(O)CH3
  447971.6738  0.0690 -5.0972 3  466.5652856  59516140453 152 0    53 153 0      C-13-H3C(O)CH3
  448002.6012  0.0586 -5.8570 3  679.5211808  595161404502822 1    493119 1      C-13-H3C(O)CH3
  448003.0659  0.1069 -6.4969 3 1670.2875668  595161404832954 4    832855 4      C-13-H3C(O)CH3
  448003.0659  0.1069 -6.4969 3 1670.2875668  595161404833054 4    832955 4      C-13-H3C(O)CH3
  448029.1112  0.0037 -3.5604 3  159.2355188 -5951614042321 3 4    2220 3 4      C-13-H3C(O)CH3
  448043.9820  0.1269 -6.2081 3 1670.2693D36  595161404833054 1    832955 1      C-13-H3C(O)CH3
  448043.9820  0.1269 -6.2081 3 1670.2693D36  595161404832954 1    832855 1      C-13-H3C(O)CH3
  448046.3477  0.1223 -6.1988 3 1670.2727D36  595161404832954 2    832955 2      C-13-H3C(O)CH3
  448046.3477  0.1223 -6.1988 3 1670.2727D36  595161404833054 2    832855 2      C-13-H3C(O)CH3
  448063.1947  0.0034 -3.2594 3  159.3104376 -5951614042321 3 2    2220 3 2      C-13-H3C(O)CH3
  448074.9817  0.0078 -3.7806 3  194.2311440 -595161404271711 1    261610 1      C-13-H3C(O)CH3
  448087.2010  0.1362 -6.1886 3 1670.2545D36  595161404832954 0    832855 0      C-13-H3C(O)CH3
  448087.2010  0.1362 -6.1886 3 1670.2545D36  595161404833054 0    832955 0      C-13-H3C(O)CH3
  448095.1094  0.0034 -3.2592 3  159.2989376 -5951614042321 3 1    2220 3 1      C-13-H3C(O)CH3
  448129.8972  0.0034 -3.2592 3  159.3739376 -5951614042321 2 0    2220 3 0      C-13-H3C(O)CH3
  448129.8972  0.0034 -3.2592 3  159.3739376 -5951614042321 3 0    2220 2 0      C-13-H3C(O)CH3
  448145.0063  0.0168 -5.8177 3  526.4347712  595161404442619 0    442322 0      C-13-H3C(O)CH3
  448202.4471  0.2536 -6.3366 3  770.0640856  595161404533122 2    523419 2      C-13-H3C(O)CH3
  448206.0352  0.0205 -5.8174 3  526.4120712  595161404442619 2    442322 2      C-13-H3C(O)CH3
  448210.1251  0.0138 -5.9207 3   76.8337280  5951614041714 4 1    1611 5 1      C-13-H3C(O)CH3
  448247.7093  0.0183 -5.8171 3  526.4150712  595161404442619 1    442322 1      C-13-H3C(O)CH3
  448259.7606  0.0562 -5.4293 3 1086.5768B28  595161404701853 0    701654 0      C-13-H3C(O)CH3
  448259.7606  0.0562 -5.5402 3 1086.5768B28  595161404701853 0    701754 0      C-13-H3C(O)CH3
  448259.7606  0.0562 -5.6833 3 1086.5768B28  595161404701753 0    701754 0      C-13-H3C(O)CH3
  448259.7606  0.0562 -5.3438 3 1086.5768B28  595161404701753 0    701654 0      C-13-H3C(O)CH3
  448306.3470  0.0211 -6.1177 3  526.3922356  595161404442619 4    442322 4      C-13-H3C(O)CH3
  448312.6466  0.0208 -6.1177 3  526.3923356  595161404442619 3    442322 3      C-13-H3C(O)CH3
  448356.9449  0.0673 -5.2240 3 1086.5781B28  595161404701853 1    701654 1      C-13-H3C(O)CH3
  448356.9449  0.0673 -6.1952 3 1086.5781B28  595161404701853 1    701754 1      C-13-H3C(O)CH3
  448356.9449  0.0673 -6.1952 3 1086.5781B28  595161404701753 1    701654 1      C-13-H3C(O)CH3
  448356.9449  0.0673 -5.2240 3 1086.5781B28  595161404701753 1    701754 1      C-13-H3C(O)CH3
  448359.9141  0.0680 -5.6500 3 1086.5782B28  595161404701753 2    701754 2      C-13-H3C(O)CH3
  448359.9141  0.0680 -5.3597 3 1086.5782B28  595161404701753 2    701654 2      C-13-H3C(O)CH3
  448359.9141  0.0680 -5.6500 3 1086.5782B28  595161404701853 2    701654 2      C-13-H3C(O)CH3
  448359.9141  0.0680 -5.3597 3 1086.5782B28  595161404701853 2    701754 2      C-13-H3C(O)CH3
  448373.2010  0.0355 -6.2581 3  729.4231420  595161404522824 3    513121 3      C-13-H3C(O)CH3
  448383.1520  0.0074 -3.7787 3  194.2180440 -595161404271711 2    261610 2      C-13-H3C(O)CH3
  448401.5518  0.0673 -5.8534 3  679.5201808  595161404502822 0    493119 0      C-13-H3C(O)CH3
  448402.5644  0.0334 -6.2581 3  729.4221420  595161404522824 4    513121 4      C-13-H3C(O)CH3
  448429.0608  0.1611 -6.3184 3  770.0619856  595161404533122 1    523419 1      C-13-H3C(O)CH3
  448455.4456  0.0028 -4.8759 3  326.3269324 -59516140440 833 4    39 732 4      C-13-H3C(O)CH3
  448455.4456  0.0028 -3.7110 3  326.3269324 -59516140440 833 3    39 832 3      C-13-H3C(O)CH3
  448455.4456  0.0028 -3.7110 3  326.3269324 -59516140440 733 3    39 732 3      C-13-H3C(O)CH3
  448455.4456  0.0028 -4.8759 3  326.3269324 -59516140440 733 4    39 832 4      C-13-H3C(O)CH3
  448455.4524  0.0028 -3.7177 3  326.3269324  59516140440 833 4    39 832 4      C-13-H3C(O)CH3
  448455.4524  0.0028 -3.7177 3  326.3269324  59516140440 733 4    39 732 4      C-13-H3C(O)CH3
  448455.5142  0.0028 -4.9858 3  326.3269324  59516140440 833 3    39 732 3      C-13-H3C(O)CH3
  448455.5142  0.0028 -4.9858 3  326.3269324  59516140440 733 3    39 832 3      C-13-H3C(O)CH3
  448457.2277  0.0493 -5.6598 3 1086.5795564  595161404701753 3    701654 3      C-13-H3C(O)CH3
  448457.2277  0.0493 -5.9520 3 1086.5795564  595161404701853 3    701654 3      C-13-H3C(O)CH3
  448457.2277  0.0493 -5.6598 3 1086.5795564  595161404701853 3    701754 3      C-13-H3C(O)CH3
  448457.2277  0.0493 -5.9520 3 1086.5795564  595161404701753 3    701754 3      C-13-H3C(O)CH3
  448457.4261  0.0494 -5.5069 3 1086.5794564  595161404701853 4    701654 4      C-13-H3C(O)CH3
  448457.4261  0.0494 -5.5069 3 1086.5794564  595161404701753 4    701754 4      C-13-H3C(O)CH3
  448493.7237  0.0032 -3.6751 3  326.3409648 -59516140440 833 1    39 732 1      C-13-H3C(O)CH3
  448493.7237  0.0032 -3.6751 3  326.3409648 -59516140440 733 1    39 832 1      C-13-H3C(O)CH3
  448493.7440  0.0032 -3.7024 3  326.3409648  59516140440 833 1    39 832 1      C-13-H3C(O)CH3
  448493.7440  0.0032 -3.7024 3  326.3409648  59516140440 733 1    39 732 1      C-13-H3C(O)CH3
  448494.5166  0.0032 -3.3883 3  326.3402648 -59516140440 733 2    39 832 2      C-13-H3C(O)CH3
  448494.5166  0.0032 -3.3883 3  326.3402648 -59516140440 833 2    39 732 2      C-13-H3C(O)CH3
  448494.5212  0.0032 -6.1453 3  326.3402648  59516140440 833 2    39 832 2      C-13-H3C(O)CH3
  448494.5212  0.0032 -6.1453 3  326.3402648  59516140440 733 2    39 732 2      C-13-H3C(O)CH3
  448501.5020  0.0421 -5.9572 3  729.4241840  595161404522824 2    513121 2      C-13-H3C(O)CH3
  448507.2039  0.0457 -5.9581 3  729.4255840  595161404522824 1    513121 1      C-13-H3C(O)CH3
  448524.9011  0.0069 -3.7783 3  194.2267440 -595161404271711 0    261610 0      C-13-H3C(O)CH3
  448532.6845  0.0026 -3.4134 3  326.3543648  59516140440 833 0    39 832 0      C-13-H3C(O)CH3
  448532.6845  0.0026 -3.4383 3  326.3543648  59516140440 733 0    39 732 0      C-13-H3C(O)CH3
  448532.7033  0.0026 -4.3446 3  326.3543648 -59516140440 733 0    39 832 0      C-13-H3C(O)CH3
  448532.7033  0.0026 -4.6259 3  326.3543648 -59516140440 833 0    39 732 0      C-13-H3C(O)CH3
  448543.5084  0.0172 -5.8757 3   85.3914148  5951614041814 5 4    1711 6 4      C-13-H3C(O)CH3
  448617.6518  0.0471 -5.9583 3  729.4270840  595161404522824 0    513121 0      C-13-H3C(O)CH3
  448651.4726  0.0135 -5.8933 3   76.8308280  5951614041714 4 2    1611 5 2      C-13-H3C(O)CH3
  448653.8132  0.0041 -4.5145 3  112.1042172  5951614042113 9 4    201010 4      C-13-H3C(O)CH3
  448666.8918  0.0061 -5.3065 3   60.6653148  59516140418 414 3    17 315 3      C-13-H3C(O)CH3
  448666.8924  0.0061 -5.3065 3   60.6653148  59516140418 514 3    17 215 3      C-13-H3C(O)CH3
  448667.2001  0.0077 -5.3065 3   60.6653148  59516140418 414 4    17 315 4      C-13-H3C(O)CH3
  448667.2007  0.0077 -5.3065 3   60.6653148  59516140418 514 4    17 215 4      C-13-H3C(O)CH3
  448699.9353  0.0042 -4.5144 3  112.1040172  5951614042113 9 3    201010 3      C-13-H3C(O)CH3
  448751.0083  0.0160 -6.0439 3   76.8554140  5951614041714 4 3    1611 5 3      C-13-H3C(O)CH3
  448758.1047  0.1243 -6.6143 3  674.8632396  595161404493316 4    493020 4      C-13-H3C(O)CH3
  448786.3554  0.0287 -5.7843 3  691.0261776  5951614044839 9 1    4740 7 1      C-13-H3C(O)CH3
  448821.7934  0.0502 -5.1430 3 1044.5537B12  595161404691653 0    691654 0      C-13-H3C(O)CH3
  448821.7934  0.0502 -6.3405 3 1044.5537B12  595161404691653 0    691554 0      C-13-H3C(O)CH3
  448821.7934  0.0502 -6.3405 3 1044.5537B12  595161404691753 0    691654 0      C-13-H3C(O)CH3
  448821.7934  0.0502 -5.1430 3 1044.5537B12  595161404691753 0    691554 0      C-13-H3C(O)CH3
  448853.3842  0.0276 -5.7836 3  690.9989776  5951614044839 9 0    4740 8 0      C-13-H3C(O)CH3
  448853.3842  0.0276 -5.7836 3  690.9989776  595161404483910 0    4740 7 0      C-13-H3C(O)CH3
  448854.9313  0.0087 -4.9379 3  104.2522164  5951614042014 7 3    1911 8 3      C-13-H3C(O)CH3
  448891.4598  0.0977 -6.4249 3 1620.7921660  595161404822954 4    822755 4      C-13-H3C(O)CH3
  448891.4598  0.0977 -6.4249 3 1620.7921660  595161404822854 4    822855 4      C-13-H3C(O)CH3
  448891.4931  0.0977 -6.5637 3 1620.7920660  595161404822954 3    822855 3      C-13-H3C(O)CH3
  448891.4931  0.0977 -6.5637 3 1620.7920660  595161404822854 3    822755 3      C-13-H3C(O)CH3
  448901.0340  0.0040 -4.2133 3  112.0894344  5951614042113 9 1    201010 1      C-13-H3C(O)CH3
  448911.1403  0.0088 -6.3775 3  261.9486260  595161404321517 4    321220 4      C-13-H3C(O)CH3
  448911.1689  0.0082 -6.3775 3  261.9486260  595161404321517 3    321220 3      C-13-H3C(O)CH3
  448926.2913  0.1096 -6.3583 3 1620.7721D20  595161404822854 1    822855 1      C-13-H3C(O)CH3
  448926.2913  0.1096 -6.4228 3 1620.7721D20  595161404822854 1    822755 1      C-13-H3C(O)CH3
  448926.2913  0.1096 -6.4228 3 1620.7721D20  595161404822954 1    822855 1      C-13-H3C(O)CH3
  448926.2913  0.1096 -6.3583 3 1620.7721D20  595161404822954 1    822755 1      C-13-H3C(O)CH3
  448929.0644  0.0601 -5.3119 3 1044.5502B12  595161404691653 1    691554 1      C-13-H3C(O)CH3
  448929.0644  0.0601 -5.5558 3 1044.5502B12  595161404691653 1    691654 1      C-13-H3C(O)CH3
  448929.0644  0.0601 -5.3119 3 1044.5502B12  595161404691753 1    691654 1      C-13-H3C(O)CH3
  448929.0644  0.0601 -5.5558 3 1044.5502B12  595161404691753 1    691554 1      C-13-H3C(O)CH3
  448930.0211  0.1082 -6.1331 3 1620.7752D20  595161404822954 2    822855 2      C-13-H3C(O)CH3
  448930.0211  0.1082 -6.1331 3 1620.7752D20  595161404822854 2    822755 2      C-13-H3C(O)CH3
  448931.2672  0.0606 -5.4750 3 1044.5501B12  595161404691653 2    691654 2      C-13-H3C(O)CH3
  448931.2672  0.0606 -5.3658 3 1044.5501B12  595161404691753 2    691654 2      C-13-H3C(O)CH3
  448931.2672  0.0606 -5.4750 3 1044.5501B12  595161404691753 2    691554 2      C-13-H3C(O)CH3
  448931.2672  0.0606 -5.3658 3 1044.5501B12  595161404691653 2    691554 2      C-13-H3C(O)CH3
  448934.8679  0.0088 -6.3774 3  261.9486260  595161404321617 4    321320 4      C-13-H3C(O)CH3
  448934.9701  0.0082 -6.3774 3  261.9486260  595161404321617 3    321320 3      C-13-H3C(O)CH3
  448951.3356  0.0040 -4.2140 3  112.0849344  5951614042113 9 2    201010 2      C-13-H3C(O)CH3
  448953.4967  0.0083 -4.0064 3  180.9682212  595161404261710 4    2516 9 4      C-13-H3C(O)CH3
  448954.9456  0.0103 -4.6919 3  104.2325328  5951614042014 7 1    1911 8 1      C-13-H3C(O)CH3
  448955.3716  0.0126 -5.1513 3   94.5422312  5951614041914 6 1    1811 7 1      C-13-H3C(O)CH3
  448964.8169  0.1189 -6.0972 3 1620.7552D20  595161404822954 0    822755 0      C-13-H3C(O)CH3
  448964.8169  0.1189 -6.0972 3 1620.7552D20  595161404822854 0    822855 0      C-13-H3C(O)CH3
  448967.6670  0.0146 -6.0546 3   76.8554140  5951614041714 3 3    1611 5 3      C-13-H3C(O)CH3
  448969.7497  0.0080 -6.0762 3  261.9664520  595161404321517 2    321220 2      C-13-H3C(O)CH3
  448970.3154  0.0282 -6.5075 3  162.7578196  5951614042419 6 3    2318 5 3      C-13-H3C(O)CH3
  448992.4003  0.0344 -6.0860 3  691.0430388  5951614044839 9 4    4740 7 4      C-13-H3C(O)CH3
  448993.7885  0.0080 -6.0762 3  261.9664520  595161404321617 2    321320 2      C-13-H3C(O)CH3
  449021.5141  0.0081 -6.0754 3  261.9685520  595161404321517 1    321220 1      C-13-H3C(O)CH3
  449022.9839  0.0315 -5.7839 3  690.9921776  595161404483910 1    4740 8 1      C-13-H3C(O)CH3
  449038.6732  0.0461 -5.7468 3 1044.5466556  595161404691653 3    691654 3      C-13-H3C(O)CH3
  449038.6732  0.0461 -5.7468 3 1044.5466556  595161404691753 3    691554 3      C-13-H3C(O)CH3
  449038.6732  0.0461 -5.6905 3 1044.5466556  595161404691753 3    691654 3      C-13-H3C(O)CH3
  449038.6732  0.0461 -5.6905 3 1044.5466556  595161404691653 3    691554 3      C-13-H3C(O)CH3
  449038.8762  0.0461 -5.4169 3 1044.5465556  595161404691653 4    691554 4      C-13-H3C(O)CH3
  449038.8762  0.0461 -5.4169 3 1044.5465556  595161404691753 4    691654 4      C-13-H3C(O)CH3
  449044.6517  0.0081 -6.0754 3  261.9685520  595161404321617 1    321320 1      C-13-H3C(O)CH3
  449057.4790  0.0035 -3.6816 3  162.8062196 -5951614042419 5 4    2318 5 4      C-13-H3C(O)CH3
  449057.7769  0.0284 -5.7842 3  691.0160776  5951614044839 9 2    4740 7 2      C-13-H3C(O)CH3
  449069.1728  0.0086 -3.9965 3  180.9672212  595161404261710 3    2516 9 3      C-13-H3C(O)CH3
  449080.0598  0.0073 -6.0748 3  261.9863520  595161404321517 0    321220 0      C-13-H3C(O)CH3
  449087.4288  0.0075 -5.0041 3   60.6094296  59516140418 414 2    17 315 2      C-13-H3C(O)CH3
  449087.4295  0.0075 -5.0041 3   60.6094296  59516140418 514 2    17 215 2      C-13-H3C(O)CH3
  449094.1229  0.0074 -5.0043 3   60.6100296  59516140418 414 1    17 315 1      C-13-H3C(O)CH3
  449094.1236  0.0074 -5.0043 3   60.6100296  59516140418 514 1    17 215 1      C-13-H3C(O)CH3
  449103.4412  0.0073 -6.0747 3  261.9863520  595161404321617 0    321320 0      C-13-H3C(O)CH3
  449134.9390  0.0340 -6.0850 3  691.0279388  5951614044839 9 3    4740 7 3      C-13-H3C(O)CH3
  449147.3887  0.0376 -6.1804 3  599.2191744  595161404463215 1    462918 1      C-13-H3C(O)CH3
  449148.7493  0.0119 -5.2721 3   94.5661156  5951614041914 6 3    1811 7 3      C-13-H3C(O)CH3
  449168.9318  0.0030 -3.6823 3  162.7578196 -5951614042419 5 3    2318 5 3      C-13-H3C(O)CH3
  449174.0575  0.0040 -4.2139 3  112.0703344  5951614042113 9 0    201010 0      C-13-H3C(O)CH3
  449193.8022  0.0067 -3.6983 3  180.9736424 -595161404261710 1    2516 9 1      C-13-H3C(O)CH3
  449201.2741  0.0289 -5.7832 3  691.0007776  595161404483910 2    4740 8 2      C-13-H3C(O)CH3
  449210.9902  0.0032 -3.6819 3  162.7497196 -5951614042419 6 3    2318 6 3      C-13-H3C(O)CH3
  449228.1830  0.0360 -6.0856 3  691.0091388  595161404483910 3    4740 8 3      C-13-H3C(O)CH3
  449241.9951  0.0362 -5.9289 3  599.2258744  595161404463215 0    462918 0      C-13-H3C(O)CH3
  449248.5286  0.0029 -3.3801 3  162.7986392 -5951614042419 5 1    2318 5 1      C-13-H3C(O)CH3
  449305.5463  0.0528 -6.4600 3  599.2106372  595161404463215 4    462918 4      C-13-H3C(O)CH3
  449306.3467  0.0031 -3.3797 3  162.8052392 -5951614042419 5 2    2318 5 2      C-13-H3C(O)CH3
  449322.9999  0.0028 -3.6813 3  162.7013196 -5951614042419 6 4    2318 6 4      C-13-H3C(O)CH3
  449340.6195  0.0578 -5.9186 3  698.7602824  595161404512824 0    502921 0      C-13-H3C(O)CH3
  449366.5011  0.0438 -6.2797 3 1003.1102A96  595161404681553 0    681554 0      C-13-H3C(O)CH3
  449366.5011  0.0438 -6.2797 3 1003.1102A96  595161404681653 0    681454 0      C-13-H3C(O)CH3
  449366.5011  0.0438 -5.0819 3 1003.1102A96  595161404681553 0    681454 0      C-13-H3C(O)CH3
  449366.5011  0.0438 -5.0819 3 1003.1102A96  595161404681653 0    681554 0      C-13-H3C(O)CH3
  449370.0973  0.0365 -6.0846 3  690.9939388  595161404483910 4    4740 8 4      C-13-H3C(O)CH3
  449376.2364  0.0468 -6.1753 3  599.2191744  595161404463215 2    462918 2      C-13-H3C(O)CH3
  449378.8744  0.1848 -6.2739 3  770.0496856  595161404533122 0    523419 0      C-13-H3C(O)CH3
  449379.1923  0.0111 -5.8361 3   82.8947148  5951614041813 6 4    1710 8 4      C-13-H3C(O)CH3
  449401.1636  0.0027 -3.3798 3  162.7423392 -5951614042419 6 1    2318 6 1      C-13-H3C(O)CH3
  449409.6259  0.0279 -6.5068 3  162.7497196  5951614042419 5 3    2318 6 3      C-13-H3C(O)CH3
  449417.3048  0.0029 -3.3798 3  162.7568392 -5951614042419 6 2    2318 6 2      C-13-H3C(O)CH3
  449417.6159  0.0097 -4.6802 3  104.2231328  5951614042014 7 2    1911 8 2      C-13-H3C(O)CH3
  449452.3845  0.0063 -3.6938 3  180.9652424 -595161404261710 2    2516 9 2      C-13-H3C(O)CH3
  449477.6093  0.0344 -6.3869 3  528.3872696  595161404433113 1    432815 1      C-13-H3C(O)CH3
  449480.7982  0.0523 -5.0581 3 1003.1016A96  595161404681553 1    681454 1      C-13-H3C(O)CH3
  449480.7982  0.0523 -5.0581 3 1003.1016A96  595161404681653 1    681554 1      C-13-H3C(O)CH3
  449482.2920  0.0525 -5.1428 3 1003.1014A96  595161404681653 2    681454 2      C-13-H3C(O)CH3
  449482.2920  0.0525 -5.7918 3 1003.1014A96  595161404681653 2    681554 2      C-13-H3C(O)CH3
  449482.2920  0.0525 -5.7918 3 1003.1014A96  595161404681553 2    681454 2      C-13-H3C(O)CH3
  449482.2920  0.0525 -5.1428 3 1003.1014A96  595161404681553 2    681554 2      C-13-H3C(O)CH3
  449487.8353  0.0029 -3.3792 3  162.7978392 -5951614042419 6 0    2318 5 0      C-13-H3C(O)CH3
  449504.6461  0.0029 -3.3792 3  162.7974392 -5951614042419 5 0    2318 6 0      C-13-H3C(O)CH3
  449505.2404  0.0123 -5.1384 3   94.5337312  5951614041914 6 2    1811 7 2      C-13-H3C(O)CH3
  449513.7062  0.0073 -5.0029 3   60.5543296  59516140418 414 0    17 315 0      C-13-H3C(O)CH3
  449513.7069  0.0073 -5.0029 3   60.5543296  59516140418 514 0    17 215 0      C-13-H3C(O)CH3
  449518.3962  0.0287 -5.8396 3  500.2871696  595161404432419 2    432122 2      C-13-H3C(O)CH3
  449531.7703  0.0027 -3.6971 3  331.8218332  59516140441 635 4    40 634 4      C-13-H3C(O)CH3
  449531.7703  0.0027 -3.6971 3  331.8218332  59516140441 735 4    40 734 4      C-13-H3C(O)CH3
  449531.7708  0.0027 -4.8614 3  331.8218332 -59516140441 735 4    40 634 4      C-13-H3C(O)CH3
  449531.7708  0.0027 -3.9247 3  331.8218332 -59516140441 735 3    40 634 3      C-13-H3C(O)CH3
  449531.7708  0.0027 -4.8614 3  331.8218332 -59516140441 635 4    40 734 4      C-13-H3C(O)CH3
  449531.7708  0.0027 -3.9247 3  331.8218332 -59516140441 635 3    40 734 3      C-13-H3C(O)CH3
  449531.8200  0.0027 -4.0192 3  331.8218332  59516140441 735 3    40 734 3      C-13-H3C(O)CH3
  449531.8200  0.0027 -4.0192 3  331.8218332  59516140441 635 3    40 634 3      C-13-H3C(O)CH3
  449537.4222  0.0304 -6.1399 3  500.2656348  595161404432419 3    432122 3      C-13-H3C(O)CH3
  449541.7009  0.0305 -6.1399 3  500.2655348  595161404432419 4    432122 4      C-13-H3C(O)CH3
  449560.6553  0.0688 -5.9475 3  755.0539840  595161404523419 0    523122 0      C-13-H3C(O)CH3
  449570.5833  0.0032 -4.9910 3  331.8315664  59516140441 735 1    40 734 1      C-13-H3C(O)CH3
  449570.5833  0.0032 -4.9910 3  331.8315664  59516140441 635 1    40 634 1      C-13-H3C(O)CH3
  449570.6258  0.0032 -3.3778 3  331.8315664 -59516140441 735 1    40 634 1      C-13-H3C(O)CH3
  449570.6258  0.0032 -3.3778 3  331.8315664 -59516140441 635 1    40 734 1      C-13-H3C(O)CH3
  449571.1417  0.0032 -5.5160 3  331.8309664  59516140441 735 2    40 634 2      C-13-H3C(O)CH3
  449571.1417  0.0032 -5.5160 3  331.8309664  59516140441 635 2    40 734 2      C-13-H3C(O)CH3
  449571.2052  0.0032 -3.3704 3  331.8309664 -59516140441 735 2    40 734 2      C-13-H3C(O)CH3
  449571.2052  0.0032 -3.3704 3  331.8309664 -59516140441 635 2    40 634 2      C-13-H3C(O)CH3
  449596.7265  0.0429 -5.3807 3 1003.0928548  595161404681553 3    681554 3      C-13-H3C(O)CH3
  449596.7265  0.0429 -6.6053 3 1003.0928548  595161404681553 3    681454 3      C-13-H3C(O)CH3
  449596.7265  0.0429 -6.6053 3 1003.0928548  595161404681653 3    681554 3      C-13-H3C(O)CH3
  449596.7265  0.0429 -5.3807 3 1003.0928548  595161404681653 3    681454 3      C-13-H3C(O)CH3
  449596.9239  0.0429 -5.4684 3 1003.0928548  595161404681653 4    681554 4      C-13-H3C(O)CH3
  449596.9239  0.0429 -5.9961 3 1003.0928548  595161404681553 4    681554 4      C-13-H3C(O)CH3
  449596.9239  0.0429 -5.9961 3 1003.0928548  595161404681653 4    681454 4      C-13-H3C(O)CH3
  449596.9239  0.0429 -5.4684 3 1003.0928548  595161404681553 4    681454 4      C-13-H3C(O)CH3
  449606.1718  0.0089 -6.4082 3   56.0707248  5951614041512 4 0    14 7 7 0      C-13-H3C(O)CH3
  449609.8354  0.0026 -5.1181 3  331.8407664  59516140441 735 0    40 634 0      C-13-H3C(O)CH3
  449609.8354  0.0026 -5.1181 3  331.8407664  59516140441 635 0    40 734 0      C-13-H3C(O)CH3
  449609.8388  0.0026 -3.3751 3  331.8407664 -59516140441 735 0    40 734 0      C-13-H3C(O)CH3
  449609.8388  0.0026 -3.3751 3  331.8407664 -59516140441 635 0    40 634 0      C-13-H3C(O)CH3
  449629.4764  0.0052 -3.6917 3  180.9711424 -595161404261710 0    2516 9 0      C-13-H3C(O)CH3
  449633.2088  0.0370 -5.8627 3  659.8760792  595161404493020 0    492723 0      C-13-H3C(O)CH3
  449651.9178  0.0171 -5.8398 3  500.3116696  595161404432419 0    432122 0      C-13-H3C(O)CH3
  449670.0107  0.0399 -6.4618 3  528.3925696  595161404433113 2    432815 2      C-13-H3C(O)CH3
  449672.3801  0.0177 -5.8392 3  500.2901696  595161404432419 1    432122 1      C-13-H3C(O)CH3
  449738.0000  0.0515 -5.9157 3  698.7407824  595161404512824 1    502921 1      C-13-H3C(O)CH3
  449749.9104  0.0902 -6.4187 3 1571.8629652  595161404812754 4    812755 4      C-13-H3C(O)CH3
  449749.9104  0.0902 -6.4187 3 1571.8629652  595161404812854 4    812655 4      C-13-H3C(O)CH3
  449749.9270  0.0902 -6.3767 3 1571.8629652  595161404812754 3    812755 3      C-13-H3C(O)CH3
  449749.9270  0.0902 -6.3767 3 1571.8629652  595161404812854 3    812655 3      C-13-H3C(O)CH3
  449756.4126  0.0112 -6.3267 3   94.5661156  5951614041914 5 3    1811 7 3      C-13-H3C(O)CH3
  449777.1928  0.0973 -6.1087 3 1571.8415D04  595161404812754 1    812755 1      C-13-H3C(O)CH3
  449777.1928  0.0973 -6.1087 3 1571.8415D04  595161404812854 1    812655 1      C-13-H3C(O)CH3
  449782.0398  0.0984 -6.0136 3 1571.8443D04  595161404812754 2    812755 2      C-13-H3C(O)CH3
  449782.0398  0.0984 -6.0136 3 1571.8443D04  595161404812854 2    812655 2      C-13-H3C(O)CH3
  449797.6738  0.0322 -5.9801 3  528.3960696  595161404433112 0    432815 0      C-13-H3C(O)CH3
  449803.9055  0.0375 -5.8622 3  659.8659792  595161404493020 1    492723 1      C-13-H3C(O)CH3
  449809.3157  0.1054 -6.3911 3 1571.8230D04  595161404812754 0    812655 0      C-13-H3C(O)CH3
  449809.3157  0.1054 -6.2256 3 1571.8230D04  595161404812854 0    812655 0      C-13-H3C(O)CH3
  449809.3157  0.1054 -6.3911 3 1571.8230D04  595161404812854 0    812755 0      C-13-H3C(O)CH3
  449809.3157  0.1054 -6.2256 3 1571.8230D04  595161404812754 0    812755 0      C-13-H3C(O)CH3
  449826.8904  0.0315 -5.8625 3  659.8636792  595161404493020 2    492723 2      C-13-H3C(O)CH3
  449890.3523  0.0045 -4.5163 3  168.2256204 -5951614042517 9 4    2416 9 4      C-13-H3C(O)CH3
  449895.8236  0.0374 -5.0067 3  962.2469A80  595161404671553 0    671354 0      C-13-H3C(O)CH3
  449895.8236  0.0374 -5.0067 3  962.2469A80  595161404671453 0    671454 0      C-13-H3C(O)CH3
  449923.8600  0.0962 -5.9138 3  698.7329824  595161404512824 2    502921 2      C-13-H3C(O)CH3
  449981.2334  0.0277 -6.1632 3  659.8535396  595161404493020 4    492723 4      C-13-H3C(O)CH3
  449995.8298  0.0589 -5.9834 3  755.0516840  595161404523419 1    523122 1      C-13-H3C(O)CH3
  450013.1250  0.0445 -4.9968 3  962.2332A80  595161404671453 1    671454 1      C-13-H3C(O)CH3
  450013.1250  0.0445 -4.9968 3  962.2332A80  595161404671553 1    671354 1      C-13-H3C(O)CH3
  450014.0050  0.0444 -4.9979 3  962.2330A80  595161404671553 2    671354 2      C-13-H3C(O)CH3
  450014.0050  0.0444 -6.6395 3  962.2330A80  595161404671553 2    671454 2      C-13-H3C(O)CH3
  450014.0050  0.0444 -5.0069 3  962.2330A80  595161404671453 2    671454 2      C-13-H3C(O)CH3
  450017.6746  0.0273 -6.1629 3  659.8535396  595161404493020 3    492723 3      C-13-H3C(O)CH3
  450033.5535  0.0028 -5.7587 3  168.2329204  5951614042517 9 3    2416 9 3      C-13-H3C(O)CH3
  450085.5714  0.0085 -4.6406 3  104.2030328  5951614042014 7 0    1911 8 0      C-13-H3C(O)CH3
  450092.0134  0.0478 -6.2862 3  599.2191744  595161404463214 1    462918 1      C-13-H3C(O)CH3
  450098.3486  0.0033 -4.5702 3  168.2369408 -5951614042517 9 1    2416 9 1      C-13-H3C(O)CH3
  450108.5486  0.0775 -6.0004 3  755.0500840  595161404523419 2    523122 2      C-13-H3C(O)CH3
  450131.4426  0.0398 -5.9324 3  962.2192540  595161404671453 3    671354 3      C-13-H3C(O)CH3
  450131.4426  0.0398 -5.4121 3  962.2192540  595161404671453 3    671454 3      C-13-H3C(O)CH3
  450131.4426  0.0398 -5.4121 3  962.2192540  595161404671553 3    671354 3      C-13-H3C(O)CH3
  450131.4426  0.0398 -5.9324 3  962.2192540  595161404671553 3    671454 3      C-13-H3C(O)CH3
  450131.6213  0.0398 -5.4930 3  962.2192540  595161404671553 4    671354 4      C-13-H3C(O)CH3
  450131.6213  0.0398 -5.7383 3  962.2192540  595161404671553 4    671454 4      C-13-H3C(O)CH3
  450131.6213  0.0398 -5.7383 3  962.2192540  595161404671453 4    671354 4      C-13-H3C(O)CH3
  450131.6213  0.0398 -5.4930 3  962.2192540  595161404671453 4    671454 4      C-13-H3C(O)CH3
  450140.8020  0.0587 -6.4492 3  599.2142372  595161404463215 3    462918 3      C-13-H3C(O)CH3
  450189.4978  0.0030 -4.8863 3  168.2388408  5951614042517 9 2    2416 9 2      C-13-H3C(O)CH3
  450196.5872  0.0133 -5.5292 3   85.3622296  5951614041814 5 1    1711 6 1      C-13-H3C(O)CH3
  450278.4856  0.0654 -6.3551 3  755.0476420  595161404523419 4    523122 4      C-13-H3C(O)CH3
  450293.8556  0.0354 -6.1950 3  528.3872696  595161404433112 1    432815 1      C-13-H3C(O)CH3
  450318.2650  0.0942 -6.2120 3  698.7135412  595161404512824 4    502921 4      C-13-H3C(O)CH3
  450327.8058  0.0936 -6.2120 3  698.7132412  595161404512824 3    502921 3      C-13-H3C(O)CH3
  450333.4603  0.0199 -6.4608 3  324.4196552  595161404342410 1    341915 1      C-13-H3C(O)CH3
  450411.8130  0.0312 -5.0503 3  921.9645A64  595161404661353 0    661354 0      C-13-H3C(O)CH3
  450411.8130  0.0312 -5.6006 3  921.9645A64  595161404661353 0    661254 0      C-13-H3C(O)CH3
  450411.8130  0.0312 -4.9475 3  921.9645A64  595161404661453 0    661254 0      C-13-H3C(O)CH3
  450431.7654  0.0095 -5.4511 3   76.8006280  5951614041714 4 0    1611 5 0      C-13-H3C(O)CH3
  450438.6611  0.0709 -6.6361 3  599.2142372  595161404463214 3    462918 3      C-13-H3C(O)CH3
  450497.9423  0.0118 -5.6279 3   76.8337280  5951614041714 3 1    1611 5 1      C-13-H3C(O)CH3
  450510.3740  0.0482 -6.5139 3  528.3787348  595161404433112 3    432815 3      C-13-H3C(O)CH3
  450527.0376  0.0373 -6.5408 3  921.9458A64  595161404661353 1    661254 1      C-13-H3C(O)CH3
  450527.0376  0.0373 -4.9533 3  921.9458A64  595161404661353 1    661354 1      C-13-H3C(O)CH3
  450527.0376  0.0373 -6.5408 3  921.9458A64  595161404661453 1    661354 1      C-13-H3C(O)CH3
  450527.0376  0.0373 -4.9533 3  921.9458A64  595161404661453 1    661254 1      C-13-H3C(O)CH3
  450527.4299  0.0369 -5.0455 3  921.9456A64  595161404661353 2    661254 2      C-13-H3C(O)CH3
  450527.4299  0.0369 -5.6168 3  921.9456A64  595161404661353 2    661354 2      C-13-H3C(O)CH3
  450527.4299  0.0369 -5.6168 3  921.9456A64  595161404661453 2    661254 2      C-13-H3C(O)CH3
  450527.4299  0.0369 -5.0455 3  921.9456A64  595161404661453 2    661354 2      C-13-H3C(O)CH3
  450544.2867  0.0159 -5.6848 3   85.3875148  5951614041814 5 3    1711 6 3      C-13-H3C(O)CH3
  450549.0500  1.1376 -6.5834 3 1251.3276A80  595161404674324 0    674027 0      C-13-H3C(O)CH3
  450554.9271  0.0081 -5.6930 3   82.8691296  5951614041813 6 1    1710 8 1      C-13-H3C(O)CH3
  450558.2429  0.0146 -5.8663 3   76.8716140  5951614041714 3 4    1611 5 4      C-13-H3C(O)CH3
  450579.4690  0.0843 -6.2597 3 1523.5010644  595161404802754 3    802555 3      C-13-H3C(O)CH3
  450579.4690  0.0843 -6.2597 3 1523.5010644  595161404802654 3    802655 3      C-13-H3C(O)CH3
  450579.4711  0.0843 -6.2334 3 1523.5011644  595161404802654 4    802655 4      C-13-H3C(O)CH3
  450579.4711  0.0843 -6.2334 3 1523.5011644  595161404802754 4    802555 4      C-13-H3C(O)CH3
  450597.7544  0.0901 -6.5810 3 1523.4788C88  595161404802654 1    802655 1      C-13-H3C(O)CH3
  450597.7544  0.0901 -6.0176 3 1523.4788C88  595161404802654 1    802555 1      C-13-H3C(O)CH3
  450597.7544  0.0901 -6.0176 3 1523.4788C88  595161404802754 1    802655 1      C-13-H3C(O)CH3
  450597.7544  0.0901 -6.5810 3 1523.4788C88  595161404802754 1    802555 1      C-13-H3C(O)CH3
  450603.4542  0.0928 -5.9168 3 1523.4812C88  595161404802754 2    802555 2      C-13-H3C(O)CH3
  450603.4542  0.0928 -5.9168 3 1523.4812C88  595161404802654 2    802655 2      C-13-H3C(O)CH3
  450614.2314  0.0691 -6.2963 3  599.2191744  595161404463214 2    462918 2      C-13-H3C(O)CH3
  450614.7752  0.0174 -6.4231 3  324.4380552  595161404342410 0    341915 0      C-13-H3C(O)CH3
  450620.2137  0.0026 -4.6263 3  336.7737340 -59516140442 637 4    41 536 4      C-13-H3C(O)CH3
  450620.2137  0.0026 -4.6263 3  336.7737340 -59516140442 537 4    41 636 4      C-13-H3C(O)CH3
  450620.2137  0.0026 -4.5170 3  336.7736340 -59516140442 537 3    41 536 3      C-13-H3C(O)CH3
  450620.2137  0.0026 -3.6529 3  336.7736340 -59516140442 637 3    41 536 3      C-13-H3C(O)CH3
  450620.2864  0.0026 -3.6972 3  336.7737340  59516140442 537 4    41 536 4      C-13-H3C(O)CH3
  450620.2864  0.0026 -3.6972 3  336.7737340  59516140442 637 4    41 636 4      C-13-H3C(O)CH3
  450620.3217  0.0026 -5.6823 3  336.7736340  59516140442 637 3    41 636 3      C-13-H3C(O)CH3
  450620.3217  0.0026 -3.7120 3  336.7736340  59516140442 537 3    41 636 3      C-13-H3C(O)CH3
  450621.7623  0.0958 -6.2508 3 1523.4590C88  595161404802654 0    802655 0      C-13-H3C(O)CH3
  450621.7623  0.0958 -6.1794 3 1523.4590C88  595161404802754 0    802655 0      C-13-H3C(O)CH3
  450621.7623  0.0958 -6.1794 3 1523.4590C88  595161404802654 0    802555 0      C-13-H3C(O)CH3
  450621.7623  0.0958 -6.2508 3 1523.4590C88  595161404802754 0    802555 0      C-13-H3C(O)CH3
  450630.9739  0.0200 -4.9764 3  496.9415680  595161404422914 2    413012 2      C-13-H3C(O)CH3
  450642.7848  0.0367 -5.2490 3  921.9269532  595161404661453 3    661254 3      C-13-H3C(O)CH3
  450642.7848  0.0367 -5.2490 3  921.9269532  595161404661353 3    661354 3      C-13-H3C(O)CH3
  450642.9289  0.0367 -5.2698 3  921.9268532  595161404661453 4    661354 4      C-13-H3C(O)CH3
  450642.9289  0.0367 -6.4653 3  921.9268532  595161404661353 4    661354 4      C-13-H3C(O)CH3
  450642.9289  0.0367 -6.4653 3  921.9268532  595161404661453 4    661254 4      C-13-H3C(O)CH3
  450642.9289  0.0367 -5.2698 3  921.9268532  595161404661353 4    661254 4      C-13-H3C(O)CH3
  450658.9331  0.0032 -4.2504 3  336.7776680  59516140442 637 1    41 536 1      C-13-H3C(O)CH3
  450658.9331  0.0032 -3.4058 3  336.7776680  59516140442 537 1    41 536 1      C-13-H3C(O)CH3
  450659.1235  0.0032 -3.4058 3  336.7776680 -59516140442 637 1    41 636 1      C-13-H3C(O)CH3
  450659.1235  0.0032 -4.2504 3  336.7776680 -59516140442 537 1    41 636 1      C-13-H3C(O)CH3
  450659.1235  0.0032 -3.3478 3  336.7771680 -59516140442 637 2    41 536 2      C-13-H3C(O)CH3
  450659.3169  0.0032 -3.3478 3  336.7771680  59516140442 537 2    41 636 2      C-13-H3C(O)CH3
  450680.3143  0.0408 -6.1549 3  528.3925696  595161404433112 2    432815 2      C-13-H3C(O)CH3
  450688.2312  0.0097 -4.9408 3   94.5094312  5951614041914 6 0    1811 7 0      C-13-H3C(O)CH3
  450697.8187  0.0025 -5.4543 3  336.7810680 -59516140442 537 0    41 536 0      C-13-H3C(O)CH3
  450697.8187  0.0025 -5.4543 3  336.7810680 -59516140442 637 0    41 636 0      C-13-H3C(O)CH3
  450697.8555  0.0025 -3.3511 3  336.7810680  59516140442 537 0    41 636 0      C-13-H3C(O)CH3
  450697.8555  0.0025 -3.3511 3  336.7810680  59516140442 637 0    41 536 0      C-13-H3C(O)CH3
  450704.4732  0.0132 -5.5207 3   85.3565296  5951614041814 5 2    1711 6 2      C-13-H3C(O)CH3
  450707.3362  0.0178 -4.9746 3  496.9542680  595161404422914 0    413011 0      C-13-H3C(O)CH3
  450719.2080  0.0226 -5.2758 3  496.9159340  595161404422914 4    413012 4      C-13-H3C(O)CH3
  450724.1881  0.0118 -5.6455 3   76.8308280  5951614041714 3 2    1611 5 2      C-13-H3C(O)CH3
  450765.3935  0.0205 -5.2937 3  496.9399340  595161404422914 3    413012 3      C-13-H3C(O)CH3
  450836.6177  0.0149 -5.9731 3   85.3875148  5951614041814 4 3    1711 6 3      C-13-H3C(O)CH3
  450856.0325  0.0079 -5.7553 3   82.8666296  5951614041813 6 2    1710 8 2      C-13-H3C(O)CH3
  450868.0942  0.0193 -4.9794 3  496.9288680  595161404422914 1    413012 1      C-13-H3C(O)CH3
  450878.9480  0.0179 -4.9742 3  496.9541680  595161404422913 0    413012 0      C-13-H3C(O)CH3
  450916.6338  0.0256 -4.9167 3  882.2635A48  595161404651353 0    651154 0      C-13-H3C(O)CH3
  450916.6338  0.0256 -4.9167 3  882.2635A48  595161404651253 0    651254 0      C-13-H3C(O)CH3
  450916.6338  0.0256 -6.1429 3  882.2635A48  595161404651353 0    651254 0      C-13-H3C(O)CH3
  450916.6338  0.0256 -6.1429 3  882.2635A48  595161404651253 0    651154 0      C-13-H3C(O)CH3
  450945.9191  0.0173 -4.9762 3  496.9709680  595161404422913 2    413011 2      C-13-H3C(O)CH3
  450947.7791  0.0181 -4.9796 3  496.9527680  595161404422913 1    413011 1      C-13-H3C(O)CH3
  450965.9838  0.0958 -6.2544 3  755.0480420  595161404523419 3    523122 3      C-13-H3C(O)CH3
  451023.5444  0.0316 -4.8993 3  882.2403A48  595161404651353 1    651154 1      C-13-H3C(O)CH3
  451023.5444  0.0316 -4.8993 3  882.2403A48  595161404651253 1    651254 1      C-13-H3C(O)CH3
  451023.5444  0.0316 -6.6317 3  882.2403A48  595161404651353 1    651254 1      C-13-H3C(O)CH3
  451023.5444  0.0316 -6.6317 3  882.2403A48  595161404651253 1    651154 1      C-13-H3C(O)CH3
  451023.5973  0.0310 -4.9748 3  882.2401A48  595161404651253 2    651154 2      C-13-H3C(O)CH3
  451023.5973  0.0310 -5.6489 3  882.2401A48  595161404651253 2    651254 2      C-13-H3C(O)CH3
  451023.5973  0.0310 -5.6489 3  882.2401A48  595161404651353 2    651154 2      C-13-H3C(O)CH3
  451023.5973  0.0310 -4.9748 3  882.2401A48  595161404651353 2    651254 2      C-13-H3C(O)CH3
  451025.7101  0.0121 -5.3439 3   94.5422312  5951614041914 5 1    1811 7 1      C-13-H3C(O)CH3
  451028.3313  0.0266 -5.5937 3  653.5072760  595161404473711 0    4638 8 0      C-13-H3C(O)CH3
  451028.3320  0.0266 -5.5937 3  653.5072760  595161404473710 0    4638 9 0      C-13-H3C(O)CH3
  451039.5389  0.0179 -5.2933 3  496.9453340  595161404422913 3    413011 3      C-13-H3C(O)CH3
  451045.3160  0.0409 -6.4057 3  528.3881348  595161404433112 4    432815 4      C-13-H3C(O)CH3
  451049.6434  0.0280 -5.5943 3  653.5285760  595161404473710 1    4638 8 1      C-13-H3C(O)CH3
  451069.1518  0.0268 -6.5657 3  324.4081552  595161404342410 2    341915 2      C-13-H3C(O)CH3
  451072.9148  0.0198 -5.1900 3  555.2423712  595161404443213 0    433310 0      C-13-H3C(O)CH3
  451075.7923  0.0198 -5.1900 3  555.2423712  595161404443212 0    433311 0      C-13-H3C(O)CH3
  451086.6359  0.0176 -5.2759 3  496.9692340  595161404422913 4    413011 4      C-13-H3C(O)CH3
  451096.0985  0.0206 -5.1895 3  555.2388712  595161404443213 2    433311 2      C-13-H3C(O)CH3
  451130.6267  0.0337 -5.1924 3  882.2169524  595161404651353 3    651154 3      C-13-H3C(O)CH3
  451130.6267  0.0337 -5.1924 3  882.2169524  595161404651253 3    651254 3      C-13-H3C(O)CH3
  451130.7178  0.0337 -6.3470 3  882.2168524  595161404651353 4    651254 4      C-13-H3C(O)CH3
  451130.7178  0.0337 -5.2236 3  882.2168524  595161404651353 4    651154 4      C-13-H3C(O)CH3
  451130.7178  0.0337 -5.2236 3  882.2168524  595161404651253 4    651254 4      C-13-H3C(O)CH3
  451130.7178  0.0337 -6.3470 3  882.2168524  595161404651253 4    651154 4      C-13-H3C(O)CH3
  451216.0031  0.0213 -5.1903 3  555.2498712  595161404443212 1    433310 1      C-13-H3C(O)CH3
  451227.5247  0.0203 -5.1899 3  555.2213712  595161404443213 1    433311 1      C-13-H3C(O)CH3
  451227.9414  0.0283 -5.5939 3  653.4959760  595161404473711 1    4638 9 1      C-13-H3C(O)CH3
  451235.7971  0.0229 -5.4908 3  555.2462356  595161404443213 3    433310 3      C-13-H3C(O)CH3
  451249.0549  0.0221 -5.4904 3  555.2175356  595161404443213 4    433311 4      C-13-H3C(O)CH3
  451258.0951  0.0121 -5.3735 3   94.5337312  5951614041914 5 2    1811 7 2      C-13-H3C(O)CH3
  451279.7341  0.0158 -5.5784 3   94.5674156  5951614041914 5 4    1811 7 4      C-13-H3C(O)CH3
  451285.8464  0.0074 -3.8966 3  151.3405392  5951614042415 9 2    231410 2      C-13-H3C(O)CH3
  451307.7922  0.0270 -5.5940 3  653.5258760  595161404473710 2    4638 8 2      C-13-H3C(O)CH3
  451312.7994  0.0265 -5.5932 3  653.5102760  595161404473711 2    4638 9 2      C-13-H3C(O)CH3
  451329.3662  0.0060 -3.8955 3  151.3405392 -5951614042415 9 0    231410 0      C-13-H3C(O)CH3
  451330.5029  0.0332 -5.8956 3  653.5471380  595161404473710 4    4638 8 4      C-13-H3C(O)CH3
  451333.7749  0.0314 -5.8948 3  653.5316380  595161404473710 3    4638 8 3      C-13-H3C(O)CH3
  451345.0871  0.0212 -5.1898 3  555.2629712  595161404443212 2    433310 2      C-13-H3C(O)CH3
  451381.0951  0.0795 -6.1299 3 1475.7076636  595161404792654 3    792555 3      C-13-H3C(O)CH3
  451381.0951  0.0795 -6.1299 3 1475.7076636  595161404792554 3    792455 3      C-13-H3C(O)CH3
  451381.1179  0.0795 -6.1298 3 1475.7077636  595161404792654 4    792455 4      C-13-H3C(O)CH3
  451381.1179  0.0795 -6.1298 3 1475.7077636  595161404792554 4    792555 4      C-13-H3C(O)CH3
  451389.0071  0.0874 -5.9077 3 1475.6851C72  595161404792554 1    792455 1      C-13-H3C(O)CH3
  451389.0071  0.0874 -5.9077 3 1475.6851C72  595161404792654 1    792555 1      C-13-H3C(O)CH3
  451389.0071  0.0874 -6.6011 3 1475.6851C72  595161404792554 1    792555 1      C-13-H3C(O)CH3
  451389.0071  0.0874 -6.6011 3 1475.6851C72  595161404792654 1    792455 1      C-13-H3C(O)CH3
  451392.1703  0.0025 -3.9235 3  276.9234268  595161404331518 4    321617 4      C-13-H3C(O)CH3
  451392.3634  0.0025 -3.9235 3  276.9234268  595161404331518 3    321617 3      C-13-H3C(O)CH3
  451395.2874  0.0907 -6.1991 3 1475.6871C72  595161404792554 2    792455 2      C-13-H3C(O)CH3
  451395.2874  0.0907 -6.0680 3 1475.6871C72  595161404792554 2    792555 2      C-13-H3C(O)CH3
  451395.2874  0.0907 -6.1991 3 1475.6871C72  595161404792654 2    792555 2      C-13-H3C(O)CH3
  451395.2874  0.0907 -6.0680 3 1475.6871C72  595161404792654 2    792455 2      C-13-H3C(O)CH3
  451403.2347  0.0895 -5.8474 3 1475.6646C72  595161404792554 0    792455 0      C-13-H3C(O)CH3
  451403.2347  0.0895 -5.8275 3 1475.6646C72  595161404792654 0    792555 0      C-13-H3C(O)CH3
  451412.5613  0.0212 -4.9130 3  843.1445A32  595161404641153 0    641154 0      C-13-H3C(O)CH3
  451412.5613  0.0212 -4.9383 3  843.1445A32  595161404641253 0    641054 0      C-13-H3C(O)CH3
  451412.5613  0.0212 -5.5583 3  843.1445A32  595161404641153 0    641054 0      C-13-H3C(O)CH3
  451412.5613  0.0212 -5.6832 3  843.1445A32  595161404641253 0    641154 0      C-13-H3C(O)CH3
  451421.7446  0.0025 -3.9235 3  276.9226268  595161404331618 4    321517 4      C-13-H3C(O)CH3
  451422.0322  0.0025 -3.9235 3  276.9226268  595161404331618 3    321517 3      C-13-H3C(O)CH3
  451432.0010  0.0027 -3.6225 3  276.9470536 -595161404331518 1    321617 1      C-13-H3C(O)CH3
  451443.2846  0.0027 -3.6227 3  276.9432536 -595161404331518 2    321617 2      C-13-H3C(O)CH3
  451448.1518  0.0096 -4.2007 3  151.3444196  5951614042415 9 3    231410 3      C-13-H3C(O)CH3
  451460.5430  0.0027 -3.6225 3  276.9463536 -595161404331618 1    321517 1      C-13-H3C(O)CH3
  451473.2340  0.0027 -3.6226 3  276.9424536 -595161404331618 2    321517 2      C-13-H3C(O)CH3
  451479.0068  0.0099 -4.2019 3  151.3437196  5951614042415 9 4    231410 4      C-13-H3C(O)CH3
  451482.7203  0.0023 -3.6227 3  276.9668536 -595161404331518 0    321617 0      C-13-H3C(O)CH3
  451485.4482  0.0253 -5.4910 3  555.2704356  595161404443212 4    433310 4      C-13-H3C(O)CH3
  451487.3433  0.0841 -6.6206 3  599.2106372  595161404463214 4    462918 4      C-13-H3C(O)CH3
  451496.4311  0.0217 -5.4907 3  555.2418356  595161404443212 3    433311 3      C-13-H3C(O)CH3
  451503.3872  0.0074 -3.8991 3  151.3441392  5951614042415 9 1    231410 1      C-13-H3C(O)CH3
  451503.5444  0.0275 -4.9102 3  843.1173A32  595161404641153 2    641054 2      C-13-H3C(O)CH3
  451503.5444  0.0275 -5.6982 3  843.1173A32  595161404641253 2    641054 2      C-13-H3C(O)CH3
  451503.5444  0.0275 -4.9102 3  843.1173A32  595161404641253 2    641154 2      C-13-H3C(O)CH3
  451503.5444  0.0275 -5.6982 3  843.1173A32  595161404641153 2    641154 2      C-13-H3C(O)CH3
  451503.6714  0.0281 -4.8625 3  843.1175A32  595161404641153 1    641054 1      C-13-H3C(O)CH3
  451503.6714  0.0281 -4.8625 3  843.1175A32  595161404641253 1    641154 1      C-13-H3C(O)CH3
  451503.6714  0.0281 -6.2398 3  843.1175A32  595161404641253 1    641054 1      C-13-H3C(O)CH3
  451503.6714  0.0281 -6.2398 3  843.1175A32  595161404641153 1    641154 1      C-13-H3C(O)CH3
  451507.2183  0.0320 -5.8952 3  653.5146380  595161404473711 3    4638 9 3      C-13-H3C(O)CH3
  451509.8205  0.0026 -3.9935 3  266.1330260  595161404321616 3    311715 3      C-13-H3C(O)CH3
  451510.2854  0.0025 -3.9935 3  266.1330260  595161404321616 4    311715 4      C-13-H3C(O)CH3
  451511.0590  0.0308 -5.8944 3  653.4989380  595161404473711 4    4638 9 4      C-13-H3C(O)CH3
  451511.8517  0.0023 -3.6226 3  276.9660536 -595161404331618 0    321517 0      C-13-H3C(O)CH3
  451521.0179  0.0808 -5.9567 3  781.0411856  595161404533420 0    533123 0      C-13-H3C(O)CH3
  451563.2103  0.0026 -3.6924 3  266.1556520 -595161404321616 1    311715 1      C-13-H3C(O)CH3
  451570.5927  0.0027 -3.6927 3  266.1504520 -595161404321616 2    311715 2      C-13-H3C(O)CH3
  451594.7550  0.0308 -5.1653 3  843.0902516  595161404641253 3    641154 3      C-13-H3C(O)CH3
  451594.7550  0.0308 -5.1653 3  843.0902516  595161404641153 3    641054 3      C-13-H3C(O)CH3
  451594.7550  0.0308 -6.4941 3  843.0902516  595161404641153 3    641154 3      C-13-H3C(O)CH3
  451594.7550  0.0308 -6.4941 3  843.0902516  595161404641253 3    641054 3      C-13-H3C(O)CH3
  451594.7734  0.0308 -6.2668 3  843.0902516  595161404641253 4    641154 4      C-13-H3C(O)CH3
  451594.7734  0.0308 -5.1795 3  843.0902516  595161404641253 4    641054 4      C-13-H3C(O)CH3
  451594.7734  0.0308 -6.2668 3  843.0902516  595161404641153 4    641054 4      C-13-H3C(O)CH3
  451594.7734  0.0308 -5.1795 3  843.0902516  595161404641153 4    641154 4      C-13-H3C(O)CH3
  451624.1579  0.0023 -3.6927 3  266.1729520 -595161404321616 0    311715 0      C-13-H3C(O)CH3
  451637.4162  0.0027 -3.8749 3  287.0267276  595161404341420 4    331519 4      C-13-H3C(O)CH3
  451637.5656  0.0026 -3.8749 3  287.0267276  595161404341420 3    331519 3      C-13-H3C(O)CH3
  451637.9277  0.0027 -3.8749 3  287.0267276  595161404341520 4    331419 4      C-13-H3C(O)CH3
  451638.0797  0.0026 -3.8749 3  287.0267276  595161404341520 3    331419 3      C-13-H3C(O)CH3
  451667.6979  1.4816 -6.5864 3 1251.3207A80  595161404674324 2    674027 2      C-13-H3C(O)CH3
  451672.8982  0.0029 -3.5739 3  287.0508552 -595161404341420 1    331519 1      C-13-H3C(O)CH3
  451673.4097  0.0029 -3.5739 3  287.0508552 -595161404341520 1    331419 1      C-13-H3C(O)CH3
  451680.5215  0.0029 -3.5740 3  287.0480552 -595161404341520 2    331419 2      C-13-H3C(O)CH3
  451680.5215  0.0029 -3.5740 3  287.0480552 -595161404341420 2    331519 2      C-13-H3C(O)CH3
  451715.5627  0.0025 -3.5740 3  287.0721552 -595161404341420 0    331519 0      C-13-H3C(O)CH3
  451716.3542  0.0025 -3.5740 3  287.0721552 -595161404341520 0    331419 0      C-13-H3C(O)CH3
  451718.8203  0.0026 -3.9973 3  341.1845348 -59516140443 539 3    42 538 3      C-13-H3C(O)CH3
  451718.8203  0.0026 -3.9381 3  341.1845348 -59516140443 439 4    42 438 4      C-13-H3C(O)CH3
  451718.8203  0.0026 -3.8731 3  341.1845348 -59516140443 439 3    42 538 3      C-13-H3C(O)CH3
  451718.8203  0.0026 -3.9236 3  341.1845348 -59516140443 539 4    42 438 4      C-13-H3C(O)CH3
  451718.8272  0.0026 -3.9236 3  341.1845348  59516140443 439 4    42 538 4      C-13-H3C(O)CH3
  451718.8272  0.0026 -3.9381 3  341.1845348  59516140443 539 4    42 538 4      C-13-H3C(O)CH3
  451718.8460  0.0026 -3.8731 3  341.1845348  59516140443 539 3    42 438 3      C-13-H3C(O)CH3
  451718.8460  0.0026 -3.9973 3  341.1845348  59516140443 439 3    42 438 3      C-13-H3C(O)CH3
  451732.8585  0.0090 -5.5466 3  104.2325328  5951614042014 6 1    1911 8 1      C-13-H3C(O)CH3
  451756.1445  0.0032 -3.3591 3  341.1808696  59516140443 539 1    42 538 1      C-13-H3C(O)CH3
  451756.1445  0.0032 -3.3591 3  341.1808696  59516140443 439 1    42 438 1      C-13-H3C(O)CH3
  451756.2625  0.0032 -3.5955 3  341.1803696 -59516140443 539 2    42 438 2      C-13-H3C(O)CH3
  451756.2625  0.0032 -4.4981 3  341.1808696 -59516140443 439 1    42 538 1      C-13-H3C(O)CH3
  451756.2625  0.0032 -4.4981 3  341.1808696 -59516140443 539 1    42 438 1      C-13-H3C(O)CH3
  451756.2625  0.0032 -3.6669 3  341.1803696 -59516140443 439 2    42 438 2      C-13-H3C(O)CH3
  451756.3868  0.0032 -3.6669 3  341.1803696  59516140443 539 2    42 538 2      C-13-H3C(O)CH3
  451756.3868  0.0032 -3.5955 3  341.1803696  59516140443 439 2    42 538 2      C-13-H3C(O)CH3
  451793.6028  0.0025 -3.5216 3  341.1767696 -59516140443 539 0    42 438 0      C-13-H3C(O)CH3
  451793.6028  0.0025 -3.5216 3  341.1767696 -59516140443 439 0    42 538 0      C-13-H3C(O)CH3
  451793.6103  0.0025 -3.7738 3  341.1767696  59516140443 539 0    42 538 0      C-13-H3C(O)CH3
  451793.6103  0.0025 -3.7738 3  341.1767696  59516140443 439 0    42 438 0      C-13-H3C(O)CH3
  451848.6368  0.0122 -5.5753 3  104.2533164  5951614042014 6 4    1911 8 4      C-13-H3C(O)CH3
  451901.9759  0.0182 -4.8227 3  804.6078A16  595161404631053 0    63 954 0      C-13-H3C(O)CH3
  451901.9759  0.0182 -6.1535 3  804.6078A16  595161404631153 0    63 954 0      C-13-H3C(O)CH3
  451901.9759  0.0182 -4.8227 3  804.6078A16  595161404631153 0    631054 0      C-13-H3C(O)CH3
  451901.9759  0.0182 -6.1535 3  804.6078A16  595161404631053 0    631054 0      C-13-H3C(O)CH3
  451902.7605  0.0052 -5.4300 3   82.8953148  5951614041813 5 3    1710 8 3      C-13-H3C(O)CH3
  451943.8859  0.0088 -5.6807 3  104.2231328  5951614042014 6 2    1911 8 2      C-13-H3C(O)CH3
  451968.3136  0.0265 -4.9708 3  804.5779A16  595161404631053 2    63 954 2      C-13-H3C(O)CH3
  451968.3136  0.0265 -5.2963 3  804.5779A16  595161404631053 2    631054 2      C-13-H3C(O)CH3
  451968.3136  0.0265 -5.2963 3  804.5779A16  595161404631153 2    63 954 2      C-13-H3C(O)CH3
  451968.3136  0.0265 -4.9708 3  804.5779A16  595161404631153 2    631054 2      C-13-H3C(O)CH3
  451968.4627  0.0271 -6.5066 3  804.5781A16  595161404631053 1    631054 1      C-13-H3C(O)CH3
  451968.4627  0.0271 -5.5773 3  804.5781A16  595161404631153 1    63 954 1      C-13-H3C(O)CH3
  451968.4627  0.0271 -4.8114 3  804.5781A16  595161404631153 1    631054 1      C-13-H3C(O)CH3
  451968.4627  0.0271 -4.8826 3  804.5781A16  595161404631053 1    63 954 1      C-13-H3C(O)CH3
  451993.2804  0.0692 -5.9627 3  781.0392856  595161404533420 1    533123 1      C-13-H3C(O)CH3
  452034.8004  0.0279 -5.2648 3  804.5480508  595161404631153 4    631054 4      C-13-H3C(O)CH3
  452034.8004  0.0279 -5.6119 3  804.5480508  595161404631053 4    631054 4      C-13-H3C(O)CH3
  452034.8004  0.0279 -5.6119 3  804.5480508  595161404631153 4    63 954 4      C-13-H3C(O)CH3
  452034.8004  0.0279 -5.2648 3  804.5480508  595161404631053 4    63 954 4      C-13-H3C(O)CH3
  452034.8743  0.0279 -6.5606 3  804.5481508  595161404631053 3    631054 3      C-13-H3C(O)CH3
  452034.8743  0.0279 -5.1189 3  804.5481508  595161404631053 3    63 954 3      C-13-H3C(O)CH3
  452034.8743  0.0279 -5.1189 3  804.5481508  595161404631153 3    631054 3      C-13-H3C(O)CH3
  452034.8743  0.0279 -6.5606 3  804.5481508  595161404631153 3    63 954 3      C-13-H3C(O)CH3
  452083.5653  0.0525 -6.1786 3  704.2263412  595161404512823 3    503120 3      C-13-H3C(O)CH3
  452091.5461  0.0823 -5.9661 3  781.0377856  595161404533420 2    533123 2      C-13-H3C(O)CH3
  452151.9206  0.0467 -6.1790 3  704.2240412  595161404512823 4    503120 4      C-13-H3C(O)CH3
  452151.9501  0.0876 -6.0206 3 1428.4615C56  595161404782554 1    782355 1      C-13-H3C(O)CH3
  452151.9501  0.0876 -6.0717 3 1428.4615C56  595161404782554 1    782455 1      C-13-H3C(O)CH3
  452151.9501  0.0876 -6.0717 3 1428.4615C56  595161404782454 1    782355 1      C-13-H3C(O)CH3
  452151.9501  0.0876 -6.0206 3 1428.4615C56  595161404782454 1    782455 1      C-13-H3C(O)CH3
  452154.8359  0.0858 -6.6384 3 1428.4409C56  595161404782454 0    782455 0      C-13-H3C(O)CH3
  452154.8359  0.0858 -5.8036 3 1428.4409C56  595161404782454 0    782355 0      C-13-H3C(O)CH3
  452154.8359  0.0858 -6.6384 3 1428.4409C56  595161404782554 0    782355 0      C-13-H3C(O)CH3
  452154.8359  0.0858 -5.8036 3 1428.4409C56  595161404782554 0    782455 0      C-13-H3C(O)CH3
  452155.7028  0.0756 -6.0455 3 1428.4838628  595161404782454 3    782455 3      C-13-H3C(O)CH3
  452155.7028  0.0756 -6.0455 3 1428.4838628  595161404782554 3    782355 3      C-13-H3C(O)CH3
  452155.7479  0.0757 -6.1040 3 1428.4838628  595161404782454 4    782455 4      C-13-H3C(O)CH3
  452155.7479  0.0757 -6.1040 3 1428.4838628  595161404782554 4    782355 4      C-13-H3C(O)CH3
  452158.5406  0.0909 -6.1210 3 1428.4632C56  595161404782554 2    782455 2      C-13-H3C(O)CH3
  452158.5406  0.0909 -5.9810 3 1428.4632C56  595161404782554 2    782355 2      C-13-H3C(O)CH3
  452158.5406  0.0909 -5.9810 3 1428.4632C56  595161404782454 2    782455 2      C-13-H3C(O)CH3
  452158.5406  0.0909 -6.1210 3 1428.4632C56  595161404782454 2    782355 2      C-13-H3C(O)CH3
  452165.3688  0.0126 -5.8778 3  383.8594616  595161404382018 2    381721 2      C-13-H3C(O)CH3
  452178.5301  0.0104 -5.8775 3  383.8881616  595161404382018 0    381721 0      C-13-H3C(O)CH3
  452231.2261  0.0041 -4.6427 3   94.3139164  59516140420 911 3    19 812 3      C-13-H3C(O)CH3
  452232.3753  0.0059 -4.6427 3   94.3139164  59516140420 911 4    19 812 4      C-13-H3C(O)CH3
  452239.2743  0.0135 -6.1785 3  383.8335308  595161404382018 3    381721 3      C-13-H3C(O)CH3
  452240.3710  0.0134 -6.1785 3  383.8334308  595161404382018 4    381721 4      C-13-H3C(O)CH3
  452242.1940  0.0098 -5.2080 3   85.3294296  5951614041814 5 0    1711 6 0      C-13-H3C(O)CH3
  452242.5075  0.0028 -3.8365 3  296.5000284 -595161404351322 3    341421 3      C-13-H3C(O)CH3
  452242.5075  0.0028 -3.8365 3  296.5000284 -595161404351322 4    341421 4      C-13-H3C(O)CH3
  452242.5075  0.0028 -3.8365 3  296.5000284 -595161404351422 3    341321 3      C-13-H3C(O)CH3
  452242.5075  0.0028 -3.8365 3  296.5000284 -595161404351422 4    341321 4      C-13-H3C(O)CH3
  452252.2300  0.0116 -5.8773 3  383.8623616  595161404382018 1    381721 1      C-13-H3C(O)CH3
  452263.9927  1.0887 -6.5898 3 1251.3075A80  595161404674324 1    674027 1      C-13-H3C(O)CH3
  452275.9133  0.0030 -3.5355 3  296.5243568 -595161404351322 1    341421 1      C-13-H3C(O)CH3
  452275.9133  0.0030 -3.5355 3  296.5243568 -595161404351422 1    341321 1      C-13-H3C(O)CH3
  452280.7884  0.0030 -3.5356 3  296.5221568 -595161404351322 2    341421 2      C-13-H3C(O)CH3
  452280.7884  0.0030 -3.5356 3  296.5221568 -595161404351422 2    341321 2      C-13-H3C(O)CH3
  452309.1235  0.0123 -5.8558 3   76.6675140  5951614041714 4 4    1611 6 4      C-13-H3C(O)CH3
  452310.9005  0.0140 -6.2866 3  337.5928568  595161404352312 0    351817 0      C-13-H3C(O)CH3
  452314.0236  0.0026 -3.5356 3  296.5463568 -595161404351322 0    341421 0      C-13-H3C(O)CH3
  452314.0236  0.0026 -3.5356 3  296.5463568 -595161404351422 0    341321 0      C-13-H3C(O)CH3
  452356.5781  0.0138 -6.2871 3  337.5701568  595161404352312 1    351817 1      C-13-H3C(O)CH3
  452358.8458  0.0129 -5.4836 3   85.3622296  5951614041814 4 1    1711 6 1      C-13-H3C(O)CH3
  452364.0656  0.0603 -5.8766 3  704.2252824  595161404512823 2    503120 2      C-13-H3C(O)CH3
  452382.3959  0.0041 -4.6425 3   94.3138164  595161404201011 3    19 712 3      C-13-H3C(O)CH3
  452382.4650  0.0058 -4.6425 3   94.3138164  595161404201011 4    19 712 4      C-13-H3C(O)CH3
  452387.3552  0.0168 -5.2312 3  766.6539A00  59516140462 953 0    62 954 0      C-13-H3C(O)CH3
  452387.3552  0.0168 -4.9488 3  766.6539A00  59516140462 953 0    62 854 0      C-13-H3C(O)CH3
  452387.3552  0.0168 -4.9488 3  766.6539A00  595161404621053 0    62 954 0      C-13-H3C(O)CH3
  452387.3552  0.0168 -5.2312 3  766.6539A00  595161404621053 0    62 854 0      C-13-H3C(O)CH3
  452398.9096  0.0528 -6.2843 3  781.0357428  595161404533420 4    533123 4      C-13-H3C(O)CH3
  452407.4443  0.0219 -6.3878 3  343.8472552  5951614043428 7 1    3425 9 1      C-13-H3C(O)CH3
  452418.9501  0.0273 -5.5348 3  766.6226A00  59516140462 953 2    62 954 2      C-13-H3C(O)CH3
  452418.9501  0.0273 -4.8474 3  766.6226A00  59516140462 953 2    62 854 2      C-13-H3C(O)CH3
  452418.9501  0.0273 -5.5348 3  766.6226A00  595161404621053 2    62 854 2      C-13-H3C(O)CH3
  452418.9501  0.0273 -4.8474 3  766.6226A00  595161404621053 2    62 954 2      C-13-H3C(O)CH3
  452418.9807  0.0276 -6.2847 3  766.6228A00  59516140462 953 1    62 954 1      C-13-H3C(O)CH3
  452418.9807  0.0276 -4.7796 3  766.6228A00  59516140462 953 1    62 854 1      C-13-H3C(O)CH3
  452418.9807  0.0276 -6.2847 3  766.6228A00  595161404621053 1    62 854 1      C-13-H3C(O)CH3
  452418.9807  0.0276 -4.7796 3  766.6228A00  595161404621053 1    62 954 1      C-13-H3C(O)CH3
  452425.9070  0.0085 -6.4481 3  242.7453252  595161404311417 4    311120 4      C-13-H3C(O)CH3
  452426.0530  0.0077 -6.4481 3  242.7453252  595161404311417 3    311120 3      C-13-H3C(O)CH3
  452427.1542  0.0513 -5.8771 3  704.2257824  595161404512823 1    503120 1      C-13-H3C(O)CH3
  452433.8729  0.0085 -6.4481 3  242.7453252  595161404311517 4    311220 4      C-13-H3C(O)CH3
  452434.0488  0.0077 -6.4481 3  242.7453252  595161404311517 3    311220 3      C-13-H3C(O)CH3
  452450.4294  0.0250 -5.3036 3  766.5915500  59516140462 953 4    62 854 4      C-13-H3C(O)CH3
  452450.4294  0.0250 -5.4441 3  766.5915500  59516140462 953 4    62 954 4      C-13-H3C(O)CH3
  452450.4294  0.0250 -5.4441 3  766.5915500  595161404621053 4    62 854 4      C-13-H3C(O)CH3
  452450.4294  0.0250 -5.3036 3  766.5915500  595161404621053 4    62 954 4      C-13-H3C(O)CH3
  452450.6121  0.0250 -5.9081 3  766.5915500  595161404621053 3    62 854 3      C-13-H3C(O)CH3
  452450.6121  0.0250 -5.1348 3  766.5915500  595161404621053 3    62 954 3      C-13-H3C(O)CH3
  452450.6121  0.0250 -5.9081 3  766.5915500  59516140462 953 3    62 954 3      C-13-H3C(O)CH3
  452450.6121  0.0250 -5.1348 3  766.5915500  59516140462 953 3    62 854 3      C-13-H3C(O)CH3
  452459.1112  0.0043 -4.3409 3   94.2873328  59516140420 911 2    19 812 2      C-13-H3C(O)CH3
  452494.6718  0.0042 -4.3410 3   94.2889328  59516140420 911 1    19 812 1      C-13-H3C(O)CH3
  452512.2633  0.0877 -6.6023 3  992.1014984  595161404613130 0    603427 0      C-13-H3C(O)CH3
  452528.3050  0.0076 -6.1467 3  242.7597504  595161404311417 2    311120 2      C-13-H3C(O)CH3
  452536.4015  0.0076 -6.1467 3  242.7597504  595161404311517 2    311220 2      C-13-H3C(O)CH3
  452552.8313  0.0146 -6.2903 3  337.5646568  595161404352312 2    351817 2      C-13-H3C(O)CH3
  452555.4991  0.0413 -5.4571 3  442.5729324  595161404402615 4    392712 4      C-13-H3C(O)CH3
  452574.2357  0.0077 -6.1459 3  242.7615504  595161404311417 1    311120 1      C-13-H3C(O)CH3
  452577.6854  0.0222 -6.3783 3  343.8639552  5951614043428 6 2    3425 9 2      C-13-H3C(O)CH3
  452582.0028  0.0077 -6.1459 3  242.7615504  595161404311517 1    311220 1      C-13-H3C(O)CH3
  452589.4154  0.0144 -6.5914 3  337.5419284  595161404352312 4    351817 4      C-13-H3C(O)CH3
  452591.0250  0.0024 -3.9909 3  266.1051260  595161404321716 4    311615 4      C-13-H3C(O)CH3
  452592.7814  0.0025 -3.9909 3  266.1051260  595161404321716 3    311615 3      C-13-H3C(O)CH3
  452593.0521  0.0130 -5.4959 3   85.3565296  5951614041814 4 2    1711 6 2      C-13-H3C(O)CH3
  452596.9768  0.0140 -6.5918 3  337.5419284  595161404352312 3    351817 3      C-13-H3C(O)CH3
  452599.8184  0.0162 -5.7462 3   85.3914148  5951614041814 4 4    1711 6 4      C-13-H3C(O)CH3
  452615.5512  0.0042 -4.3407 3   94.2872328  595161404201011 2    19 712 2      C-13-H3C(O)CH3
  452615.8010  0.0883 -6.6005 3  992.1089984  595161404613130 1    603427 1      C-13-H3C(O)CH3
  452619.0613  0.0935 -6.6003 3  992.1103984  595161404613130 2    603427 2      C-13-H3C(O)CH3
  452628.3563  0.0204 -5.3532 3  521.7233712  595161404442520 0    432617 0      C-13-H3C(O)CH3
  452629.8887  0.0027 -3.6899 3  266.1280520 -595161404321716 1    311615 1      C-13-H3C(O)CH3
  452646.6756  0.0041 -4.3408 3   94.2888328  595161404201011 1    19 712 1      C-13-H3C(O)CH3
  452668.2440  0.0026 -3.6901 3  266.1220520 -595161404321716 2    311615 2      C-13-H3C(O)CH3
  452670.1602  0.0563 -5.8760 3  704.2259824  595161404512823 0    503120 0      C-13-H3C(O)CH3
  452676.3514  0.0070 -6.1450 3  242.7759504  595161404311417 0    311120 0      C-13-H3C(O)CH3
  452684.2220  0.0070 -6.1450 3  242.7759504  595161404311517 0    311220 0      C-13-H3C(O)CH3
  452696.7531  0.0214 -6.3824 3  343.8561552  5951614043428 7 2    342510 2      C-13-H3C(O)CH3
  452704.5880  0.2226 -6.6208 3 1911.1167E16  595161404883355 2    883356 2      C-13-H3C(O)CH3
  452704.5880  0.2226 -6.6208 3 1911.1167E16  595161404883455 2    883256 2      C-13-H3C(O)CH3
  452705.2839  0.0024 -3.6901 3  266.1450520 -595161404321716 0    311615 0      C-13-H3C(O)CH3
  452721.6227  0.0043 -4.3402 3   94.2623328  59516140420 911 0    19 812 0      C-13-H3C(O)CH3
  452742.0371  0.0874 -6.2598 3  781.0359428  595161404533420 3    533123 3      C-13-H3C(O)CH3
  452748.6489  0.0208 -5.3513 3  521.7014712  595161404442520 1    432617 1      C-13-H3C(O)CH3
  452754.3311  0.0511 -6.1575 3  812.6798888  595161404552926 0    543223 0      C-13-H3C(O)CH3
  452770.2967  0.0527 -6.1563 3  812.6804888  595161404552926 1    543223 1      C-13-H3C(O)CH3
  452795.6431  0.0453 -6.1555 3  812.6793888  595161404552926 2    543223 2      C-13-H3C(O)CH3
  452804.2972  0.0449 -6.4553 3  812.6801444  595161404552926 3    543223 3      C-13-H3C(O)CH3
  452812.0056  0.0226 -6.3857 3  343.8455552  5951614043428 6 1    342510 1      C-13-H3C(O)CH3
  452813.9006  0.0451 -6.4553 3  812.6798444  595161404552926 4    543223 4      C-13-H3C(O)CH3
  452820.4657  0.0331 -5.0709 3  442.5832648  595161404402615 2    392712 2      C-13-H3C(O)CH3
  452826.1992  0.0025 -3.7051 3  345.0562356  59516140444 441 4    43 440 4      C-13-H3C(O)CH3
  452826.1992  0.0025 -3.7051 3  345.0562356  59516140444 341 4    43 340 4      C-13-H3C(O)CH3
  452826.2008  0.0025 -4.4118 3  345.0562356  59516140444 341 3    43 340 3      C-13-H3C(O)CH3
  452826.2008  0.0025 -3.6857 3  345.0562356  59516140444 441 3    43 340 3      C-13-H3C(O)CH3
  452826.2232  0.0025 -4.3211 3  345.0562356 -59516140444 341 4    43 440 4      C-13-H3C(O)CH3
  452826.2232  0.0025 -4.4118 3  345.0562356 -59516140444 441 3    43 440 3      C-13-H3C(O)CH3
  452826.2232  0.0025 -4.3211 3  345.0562356 -59516140444 441 4    43 340 4      C-13-H3C(O)CH3
  452826.2232  0.0025 -3.6857 3  345.0562356 -59516140444 341 3    43 440 3      C-13-H3C(O)CH3
  452835.0316  0.0047 -5.1201 3   82.8407296  5951614041813 5 0    1710 8 0      C-13-H3C(O)CH3
  452841.2257  0.0223 -5.1612 3  729.2216492  59516140461 953 4    61 854 4      C-13-H3C(O)CH3
  452841.2257  0.0223 -5.6428 3  729.2216492  59516140461 953 4    61 754 4      C-13-H3C(O)CH3
  452841.2257  0.0223 -5.6428 3  729.2216492  59516140461 853 4    61 854 4      C-13-H3C(O)CH3
  452841.2257  0.0223 -5.1612 3  729.2216492  59516140461 853 4    61 754 4      C-13-H3C(O)CH3
  452841.5265  0.0223 -5.0396 3  729.2216492  59516140461 953 3    61 754 3      C-13-H3C(O)CH3
  452841.5265  0.0223 -5.0396 3  729.2216492  59516140461 853 3    61 854 3      C-13-H3C(O)CH3
  452854.1751  0.0060 -6.4110 3   51.9038248  5951614041510 6 1    14 5 9 1      C-13-H3C(O)CH3
  452856.3050  0.0284 -5.3744 3  729.2524984  59516140461 853 1    61 754 1      C-13-H3C(O)CH3
  452856.3050  0.0284 -4.8500 3  729.2524984  59516140461 953 1    61 754 1      C-13-H3C(O)CH3
  452856.3050  0.0284 -5.3744 3  729.2524984  59516140461 953 1    61 854 1      C-13-H3C(O)CH3
  452856.3050  0.0284 -4.8500 3  729.2524984  59516140461 853 1    61 854 1      C-13-H3C(O)CH3
  452856.4999  0.0283 -5.1634 3  729.2522984  59516140461 953 2    61 854 2      C-13-H3C(O)CH3
  452856.4999  0.0283 -4.9399 3  729.2522984  59516140461 853 2    61 854 2      C-13-H3C(O)CH3
  452856.4999  0.0283 -5.1634 3  729.2522984  59516140461 853 2    61 754 2      C-13-H3C(O)CH3
  452856.4999  0.0283 -4.9399 3  729.2522984  59516140461 953 2    61 754 2      C-13-H3C(O)CH3
  452860.3989  0.0031 -3.7039 3  345.0424712  59516140444 441 1    43 340 1      C-13-H3C(O)CH3
  452860.3989  0.0031 -3.7039 3  345.0424712  59516140444 341 1    43 440 1      C-13-H3C(O)CH3
  452860.4084  0.0031 -3.5343 3  345.0424712 -59516140444 341 1    43 340 1      C-13-H3C(O)CH3
  452860.4084  0.0031 -3.7460 3  345.0420712 -59516140444 441 2    43 440 2      C-13-H3C(O)CH3
  452860.4084  0.0031 -3.5080 3  345.0420712 -59516140444 341 2    43 440 2      C-13-H3C(O)CH3
  452860.4084  0.0031 -3.5343 3  345.0424712 -59516140444 441 1    43 440 1      C-13-H3C(O)CH3
  452860.5305  0.0031 -3.7460 3  345.0420712  59516140444 341 2    43 340 2      C-13-H3C(O)CH3
  452860.5305  0.0031 -3.5080 3  345.0420712  59516140444 441 2    43 340 2      C-13-H3C(O)CH3
  452861.4895  0.0070 -5.2547 3   82.8691296  5951614041813 5 1    1710 8 1      C-13-H3C(O)CH3
  452871.2628  0.0167 -5.4223 3  729.2829984  59516140461 953 0    61 754 0      C-13-H3C(O)CH3
  452871.2628  0.0167 -4.8367 3  729.2829984  59516140461 853 0    61 754 0      C-13-H3C(O)CH3
  452871.2628  0.0167 -4.8367 3  729.2829984  59516140461 953 0    61 854 0      C-13-H3C(O)CH3
  452871.2628  0.0167 -5.4223 3  729.2829984  59516140461 853 0    61 854 0      C-13-H3C(O)CH3
  452877.7065  0.0836 -5.7293 3 1381.7890C40  595161404772354 0    772355 0      C-13-H3C(O)CH3
  452877.7065  0.0836 -6.5126 3 1381.7890C40  595161404772354 0    772255 0      C-13-H3C(O)CH3
  452877.7065  0.0836 -6.5126 3 1381.7890C40  595161404772454 0    772355 0      C-13-H3C(O)CH3
  452877.7065  0.0836 -5.7293 3 1381.7890C40  595161404772454 0    772255 0      C-13-H3C(O)CH3
  452877.7093  0.0071 -5.2351 3   82.8666296  5951614041813 5 2    1710 8 2      C-13-H3C(O)CH3
  452879.3623  0.0042 -4.3400 3   94.2622328  595161404201011 0    19 712 0      C-13-H3C(O)CH3
  452887.5563  0.0891 -5.8753 3 1381.8090C40  595161404772354 1    772355 1      C-13-H3C(O)CH3
  452887.5563  0.0891 -6.0758 3 1381.8090C40  595161404772354 1    772255 1      C-13-H3C(O)CH3
  452887.5563  0.0891 -5.8753 3 1381.8090C40  595161404772454 1    772255 1      C-13-H3C(O)CH3
  452887.5563  0.0891 -6.0758 3 1381.8090C40  595161404772454 1    772355 1      C-13-H3C(O)CH3
  452894.1984  0.0920 -5.6634 3 1381.8104C40  595161404772454 2    772255 2      C-13-H3C(O)CH3
  452894.1984  0.0920 -5.6634 3 1381.8104C40  595161404772354 2    772355 2      C-13-H3C(O)CH3
  452894.6537  0.0025 -3.3558 3  345.0283712  59516140444 341 0    43 440 0      C-13-H3C(O)CH3
  452894.6537  0.0025 -3.3532 3  345.0283712  59516140444 441 0    43 340 0      C-13-H3C(O)CH3
  452894.6576  0.0025 -4.3315 3  345.0283712 -59516140444 341 0    43 340 0      C-13-H3C(O)CH3
  452894.6576  0.0025 -4.3075 3  345.0283712 -59516140444 441 0    43 440 0      C-13-H3C(O)CH3
  452897.6834  0.0064 -6.4100 3   51.9026248  5951614041510 6 2    14 5 9 2      C-13-H3C(O)CH3
  452904.1091  0.0723 -6.1161 3 1381.8304620  595161404772354 3    772255 3      C-13-H3C(O)CH3
  452904.1091  0.0723 -6.1161 3 1381.8304620  595161404772454 3    772355 3      C-13-H3C(O)CH3
  452904.1091  0.0723 -6.4939 3 1381.8304620  595161404772454 3    772255 3      C-13-H3C(O)CH3
  452904.1091  0.0723 -6.4939 3 1381.8304620  595161404772354 3    772355 3      C-13-H3C(O)CH3
  452904.1778  0.0724 -6.0765 3 1381.8305620  595161404772454 4    772255 4      C-13-H3C(O)CH3
  452904.1778  0.0724 -6.0474 3 1381.8305620  595161404772454 4    772355 4      C-13-H3C(O)CH3
  452904.1778  0.0724 -6.6061 3 1381.8305620  595161404772354 4    772255 4      C-13-H3C(O)CH3
  452921.7657  0.0220 -6.3800 3  343.8789552  5951614043428 6 0    3425 9 0      C-13-H3C(O)CH3
  452936.5847  0.0220 -6.3800 3  343.8784552  5951614043428 7 0    342510 0      C-13-H3C(O)CH3
  452945.6794  0.0103 -5.8763 3  383.8881616  595161404382118 0    381821 0      C-13-H3C(O)CH3
  452956.2463  0.0121 -5.8767 3  383.8594616  595161404382118 2    381821 2      C-13-H3C(O)CH3
  452979.1216  0.0039 -3.9053 3  168.2329204  5951614042517 8 3    2416 9 3      C-13-H3C(O)CH3
  452998.1236  0.1144 -6.2443 3  683.6028404  595161404502921 3    502624 3      C-13-H3C(O)CH3
  453007.3605  0.1153 -6.2443 3  683.6028404  595161404502921 4    502624 4      C-13-H3C(O)CH3
  453016.1089  0.0653 -6.3771 3  900.2697936  595161404583028 0    573325 0      C-13-H3C(O)CH3
  453023.0642  0.0114 -5.8761 3  383.8623616  595161404382118 1    381821 1      C-13-H3C(O)CH3
  453033.9714  0.0127 -6.1773 3  383.8335308  595161404382118 4    381821 4      C-13-H3C(O)CH3
  453034.1255  0.0126 -6.1773 3  383.8335308  595161404382118 3    381821 3      C-13-H3C(O)CH3
  453039.5884  0.0029 -3.8045 3  305.3767292 -595161404361224 3    351323 3      C-13-H3C(O)CH3
  453039.5884  0.0029 -3.8045 3  305.3767292 -595161404361224 4    351323 4      C-13-H3C(O)CH3
  453039.5884  0.0029 -3.8045 3  305.3767292 -595161404361324 4    351223 4      C-13-H3C(O)CH3
  453039.5884  0.0029 -3.8045 3  305.3767292 -595161404361324 3    351223 3      C-13-H3C(O)CH3
  453060.5326  0.0363 -5.3468 3  521.6867712  595161404442520 2    432617 2      C-13-H3C(O)CH3
  453072.1271  0.0031 -3.5035 3  305.4007584 -595161404361324 1    351223 1      C-13-H3C(O)CH3
  453072.1271  0.0031 -3.5035 3  305.4007584 -595161404361224 1    351323 1      C-13-H3C(O)CH3
  453075.5248  0.0031 -3.5036 3  305.3990584 -595161404361324 2    351223 2      C-13-H3C(O)CH3
  453075.5248  0.0031 -3.5036 3  305.3990584 -595161404361224 2    351323 2      C-13-H3C(O)CH3
  453099.9708  0.0671 -6.3754 3  900.2735936  595161404583028 1    573325 1      C-13-H3C(O)CH3
  453107.8883  0.0027 -3.5036 3  305.4230584 -595161404361324 0    351223 0      C-13-H3C(O)CH3
  453107.8883  0.0027 -3.5036 3  305.4230584 -595161404361224 0    351323 0      C-13-H3C(O)CH3
  453118.8269  0.0670 -6.3749 3  900.2736936  595161404583028 2    573325 2      C-13-H3C(O)CH3
  453147.6891  0.0051 -4.5196 3  109.4037172  595161404211110 3    201011 3      C-13-H3C(O)CH3
  453159.5719  0.0073 -4.5196 3  109.4037172  595161404211110 4    201011 4      C-13-H3C(O)CH3
  453162.3623  0.0029 -3.5958 3  168.2465408 -5951614042517 8 0    2416 9 0      C-13-H3C(O)CH3
  453164.3963  0.0047 -3.6195 3  168.2388408 -5951614042517 8 2    2416 9 2      C-13-H3C(O)CH3
  453166.0366  0.0487 -6.5146 3  844.6542840  5951614045246 6 1    5147 4 1      C-13-H3C(O)CH3
  453170.1616  0.0375 -5.6460 3  521.6652356  595161404442520 4    432617 4      C-13-H3C(O)CH3
  453172.6770  0.0315 -5.2463 3  442.5566324  595161404402615 3    392712 3      C-13-H3C(O)CH3
  453183.3867  0.0392 -5.6458 3  521.6648356  595161404442520 3    432617 3      C-13-H3C(O)CH3
  453206.6997  0.0202 -5.8009 3  692.4395484  59516140460 753 4    60 754 4      C-13-H3C(O)CH3
  453206.6997  0.0202 -5.0934 3  692.4395484  59516140460 753 4    60 654 4      C-13-H3C(O)CH3
  453206.6997  0.0202 -5.0934 3  692.4395484  59516140460 853 4    60 754 4      C-13-H3C(O)CH3
  453206.6997  0.0202 -5.8009 3  692.4395484  59516140460 853 4    60 654 4      C-13-H3C(O)CH3
  453207.1145  0.0201 -5.6309 3  692.4395484  59516140460 853 3    60 654 3      C-13-H3C(O)CH3
  453207.1145  0.0201 -5.1363 3  692.4395484  59516140460 853 3    60 754 3      C-13-H3C(O)CH3
  453207.1145  0.0201 -5.1363 3  692.4395484  59516140460 753 3    60 654 3      C-13-H3C(O)CH3
  453207.1145  0.0201 -5.6309 3  692.4395484  59516140460 753 3    60 754 3      C-13-H3C(O)CH3
  453230.0593  0.0051 -4.2182 3  109.3848344  595161404211110 2    201011 2      C-13-H3C(O)CH3
  453236.4537  0.0101 -5.6313 3   82.8947148  5951614041813 5 4    1710 8 4      C-13-H3C(O)CH3
  453239.3364  0.0530 -6.5154 3  844.6329840  5951614045246 6 2    5147 4 2      C-13-H3C(O)CH3
  453280.7700  0.0056 -3.6468 3  168.2369408 -5951614042517 8 1    2416 9 1      C-13-H3C(O)CH3
  453281.5304  0.0285 -5.3265 3  692.4675968  59516140460 853 1    60 654 1      C-13-H3C(O)CH3
  453281.5304  0.0285 -4.8362 3  692.4675968  59516140460 853 1    60 754 1      C-13-H3C(O)CH3
  453281.5304  0.0285 -4.8362 3  692.4675968  59516140460 753 1    60 654 1      C-13-H3C(O)CH3
  453281.5304  0.0285 -5.3265 3  692.4675968  59516140460 753 1    60 754 1      C-13-H3C(O)CH3
  453282.0058  0.0283 -6.2387 3  692.4673968  59516140460 753 2    60 654 2      C-13-H3C(O)CH3
  453282.0058  0.0283 -6.2387 3  692.4673968  59516140460 853 2    60 754 2      C-13-H3C(O)CH3
  453282.0058  0.0283 -4.7277 3  692.4673968  59516140460 853 2    60 654 2      C-13-H3C(O)CH3
  453282.0058  0.0283 -4.7277 3  692.4673968  59516140460 753 2    60 754 2      C-13-H3C(O)CH3
  453311.2613  0.0208 -4.9600 3  442.5654648  595161404402615 1    392712 1      C-13-H3C(O)CH3
  453333.6028  0.1153 -5.9442 3  683.6113808  595161404502921 2    502624 2      C-13-H3C(O)CH3
  453334.9387  0.0049 -4.2182 3  109.3874344  595161404211110 1    201011 1      C-13-H3C(O)CH3
  453356.3329  0.0170 -4.9928 3  692.4952968  59516140460 753 0    60 754 0      C-13-H3C(O)CH3
  453356.3329  0.0170 -5.0393 3  692.4952968  59516140460 753 0    60 654 0      C-13-H3C(O)CH3
  453356.3329  0.0170 -5.0393 3  692.4952968  59516140460 853 0    60 754 0      C-13-H3C(O)CH3
  453356.3329  0.0170 -4.9928 3  692.4952968  59516140460 853 0    60 654 0      C-13-H3C(O)CH3
  453367.2966  0.0522 -6.5150 3  844.6292840  5951614045246 7 1    5147 5 1      C-13-H3C(O)CH3
  453373.6484  0.0061 -6.4056 3   51.8575248  5951614041510 6 0    14 5 9 0      C-13-H3C(O)CH3
  453411.9790  0.0049 -4.2177 3  109.3686344  595161404211110 0    201011 0      C-13-H3C(O)CH3
  453433.3638  0.0131 -4.7719 3  442.5782648  595161404402615 0    392712 0      C-13-H3C(O)CH3
  453480.6295  0.0259 -5.1393 3  171.1489204  5951614042518 8 4    2417 7 4      C-13-H3C(O)CH3
  453494.5068  0.0466 -6.5138 3  844.6071840  5951614045246 6 0    5147 4 0      C-13-H3C(O)CH3
  453494.5068  0.0466 -6.5138 3  844.6071840  5951614045246 7 0    5147 5 0      C-13-H3C(O)CH3
  453513.7861  0.0619 -5.9441 3  683.6131808  595161404502921 1    502624 1      C-13-H3C(O)CH3
  453546.3201  0.0192 -5.2360 3  656.2464476  59516140459 753 4    59 654 4      C-13-H3C(O)CH3
  453546.3201  0.0192 -5.3873 3  656.2464476  59516140459 753 4    59 554 4      C-13-H3C(O)CH3
  453546.3201  0.0192 -5.2360 3  656.2464476  59516140459 653 4    59 554 4      C-13-H3C(O)CH3
  453546.3201  0.0192 -5.3873 3  656.2464476  59516140459 653 4    59 654 4      C-13-H3C(O)CH3
  453546.8229  0.0190 -5.0833 3  656.2464476  59516140459 753 3    59 554 3      C-13-H3C(O)CH3
  453546.8229  0.0190 -5.7820 3  656.2464476  59516140459 753 3    59 654 3      C-13-H3C(O)CH3
  453546.8229  0.0190 -5.7820 3  656.2464476  59516140459 653 3    59 554 3      C-13-H3C(O)CH3
  453546.8229  0.0190 -5.0833 3  656.2464476  59516140459 653 3    59 654 3      C-13-H3C(O)CH3
  453550.5164  0.0122 -4.0203 3  168.2256204  5951614042517 8 4    2416 9 4      C-13-H3C(O)CH3
  453573.0358  0.0818 -5.6019 3 1335.7101C24  595161404762354 0    762155 0      C-13-H3C(O)CH3
  453573.0358  0.0818 -5.6019 3 1335.7101C24  595161404762254 0    762255 0      C-13-H3C(O)CH3
  453596.7776  0.0904 -5.5869 3 1335.7289C24  595161404762254 1    762255 1      C-13-H3C(O)CH3
  453596.7776  0.0904 -5.5869 3 1335.7289C24  595161404762354 1    762155 1      C-13-H3C(O)CH3
  453596.8060  0.0104 -5.6234 3   76.6540280  5951614041714 4 1    1611 6 1      C-13-H3C(O)CH3
  453603.2331  0.0929 -6.6086 3 1335.7300C24  595161404762354 2    762155 2      C-13-H3C(O)CH3
  453603.2331  0.0929 -5.6269 3 1335.7300C24  595161404762354 2    762255 2      C-13-H3C(O)CH3
  453603.2331  0.0929 -5.6269 3 1335.7300C24  595161404762254 2    762155 2      C-13-H3C(O)CH3
  453603.2331  0.0929 -6.6086 3 1335.7300C24  595161404762254 2    762255 2      C-13-H3C(O)CH3
  453627.0486  0.0693 -6.2220 3 1335.7487612  595161404762354 3    762155 3      C-13-H3C(O)CH3
  453627.0486  0.0693 -6.1524 3 1335.7487612  595161404762354 3    762255 3      C-13-H3C(O)CH3
  453627.0486  0.0693 -5.8849 3 1335.7487612  595161404762254 3    762255 3      C-13-H3C(O)CH3
  453627.1418  0.0694 -5.8855 3 1335.7488612  595161404762254 4    762155 4      C-13-H3C(O)CH3
  453627.1418  0.0694 -5.8855 3 1335.7488612  595161404762354 4    762255 4      C-13-H3C(O)CH3
  453667.7363  0.0240 -5.5547 3  442.5401324  595161404402615 3    392713 3      C-13-H3C(O)CH3
  453695.7644  0.0272 -5.9417 3  656.2689952  59516140459 753 1    59 654 1      C-13-H3C(O)CH3
  453695.7644  0.0272 -4.7285 3  656.2689952  59516140459 653 1    59 654 1      C-13-H3C(O)CH3
  453695.7644  0.0272 -5.9417 3  656.2689952  59516140459 653 1    59 554 1      C-13-H3C(O)CH3
  453695.7644  0.0272 -4.7285 3  656.2689952  59516140459 753 1    59 554 1      C-13-H3C(O)CH3
  453696.5033  0.0268 -4.7120 3  656.2686952  59516140459 753 2    59 554 2      C-13-H3C(O)CH3
  453696.5033  0.0268 -4.7120 3  656.2686952  59516140459 653 2    59 654 2      C-13-H3C(O)CH3
  453696.5033  0.0268 -6.3743 3  656.2686952  59516140459 653 2    59 554 2      C-13-H3C(O)CH3
  453696.5033  0.0268 -6.3743 3  656.2686952  59516140459 753 2    59 654 2      C-13-H3C(O)CH3
  453702.5281  0.0535 -6.5148 3  844.6105840  5951614045246 7 2    5147 5 2      C-13-H3C(O)CH3
  453705.4904  0.0937 -6.5997 3  992.0618984  595161404613230 0    603327 0      C-13-H3C(O)CH3
  453711.7093  0.1976 -6.5354 3 1858.7708E00  595161404873355 2    873256 2      C-13-H3C(O)CH3
  453711.7093  0.1976 -6.5354 3 1858.7708E00  595161404873255 2    873156 2      C-13-H3C(O)CH3
  453715.4282  0.2157 -6.5317 3 1858.7668E00  595161404873355 1    873156 1      C-13-H3C(O)CH3
  453715.4282  0.2157 -6.5317 3 1858.7668E00  595161404873255 1    873256 1      C-13-H3C(O)CH3
  453721.6578  0.0532 -6.5720 3  802.3634412  5951614045144 7 4    5045 5 4      C-13-H3C(O)CH3
  453744.5046  0.0319 -6.1911 3  528.2449696  595161404433113 1    432816 1      C-13-H3C(O)CH3
  453764.0925  0.2217 -6.5206 3 1858.7611E00  595161404873255 0    873156 0      C-13-H3C(O)CH3
  453771.4972  0.0048 -3.5200 3  163.4761188 -5951614042322 1 4    2221 1 4      C-13-H3C(O)CH3
  453796.4810  0.0195 -5.0742 3  442.5506648  595161404402615 2    392713 2      C-13-H3C(O)CH3
  453815.6216  0.0366 -6.2696 3  802.3431824  5951614045144 7 1    5045 5 1      C-13-H3C(O)CH3
  453843.3266  0.0669 -5.9450 3  683.6216808  595161404502921 0    502624 0      C-13-H3C(O)CH3
  453845.2523  0.0172 -4.7045 3  656.2910952  59516140459 653 0    59 554 0      C-13-H3C(O)CH3
  453845.2523  0.0172 -4.7045 3  656.2910952  59516140459 753 0    59 654 0      C-13-H3C(O)CH3
  453859.5283  0.0204 -6.5437 3  620.6433468  59516140458 653 4    58 554 4      C-13-H3C(O)CH3
  453859.5283  0.0204 -5.0186 3  620.6433468  59516140458 653 4    58 454 4      C-13-H3C(O)CH3
  453859.5283  0.0204 -5.0186 3  620.6433468  59516140458 553 4    58 554 4      C-13-H3C(O)CH3
  453859.5283  0.0204 -6.5437 3  620.6433468  59516140458 553 4    58 454 4      C-13-H3C(O)CH3
  453860.0602  0.0199 -5.4961 3  620.6433468  59516140458 653 3    58 454 3      C-13-H3C(O)CH3
  453860.0602  0.0199 -5.1756 3  620.6433468  59516140458 653 3    58 554 3      C-13-H3C(O)CH3
  453860.0602  0.0199 -5.1756 3  620.6433468  59516140458 553 3    58 454 3      C-13-H3C(O)CH3
  453860.0602  0.0199 -5.4961 3  620.6433468  59516140458 553 3    58 554 3      C-13-H3C(O)CH3
  453864.3996  0.0152 -5.2257 3  442.5469648  595161404402615 1    392713 1      C-13-H3C(O)CH3
  453864.6844  0.1153 -6.5976 3  992.0690984  595161404613230 2    603327 2      C-13-H3C(O)CH3
  453872.7302  0.0919 -6.5977 3  992.0672984  595161404613230 1    603327 1      C-13-H3C(O)CH3
  453885.8185  0.0140 -6.0560 3   76.6841140  5951614041714 4 3    1611 6 3      C-13-H3C(O)CH3
  453892.2495  0.0102 -5.6411 3   76.6560280  5951614041714 4 2    1611 6 2      C-13-H3C(O)CH3
  453929.8730  0.0411 -6.4052 3  528.2309348  595161404433113 4    432816 4      C-13-H3C(O)CH3
  453941.9061  0.0026 -4.4621 3  348.3902364  59516140445 343 3    44 342 3      C-13-H3C(O)CH3
  453941.9061  0.0026 -4.4621 3  348.3902364  59516140445 243 3    44 242 3      C-13-H3C(O)CH3
  453941.9185  0.0026 -3.6002 3  348.3903364  59516140445 343 4    44 342 4      C-13-H3C(O)CH3
  453941.9185  0.0026 -3.6002 3  348.3903364  59516140445 243 4    44 242 4      C-13-H3C(O)CH3
  453941.9408  0.0026 -5.3318 3  348.3903364 -59516140445 343 4    44 242 4      C-13-H3C(O)CH3
  453941.9408  0.0026 -3.6552 3  348.3902364 -59516140445 243 3    44 342 3      C-13-H3C(O)CH3
  453941.9408  0.0026 -5.3318 3  348.3903364 -59516140445 243 4    44 342 4      C-13-H3C(O)CH3
  453941.9408  0.0026 -3.6552 3  348.3902364 -59516140445 343 3    44 242 3      C-13-H3C(O)CH3
  453945.8819  0.0029 -3.7768 3  313.6760300 -595161404371226 3    361125 3      C-13-H3C(O)CH3
  453945.8819  0.0029 -3.7767 3  313.6760300 -595161404371226 4    361125 4      C-13-H3C(O)CH3
  453945.8819  0.0029 -3.7768 3  313.6760300 -595161404371126 3    361225 3      C-13-H3C(O)CH3
  453945.8819  0.0029 -3.7768 3  313.6760300 -595161404371126 4    361225 4      C-13-H3C(O)CH3
  453960.2937  0.0043 -3.5196 3  163.4191188 -5951614042322 2 3    2221 2 3      C-13-H3C(O)CH3
  453970.3839  0.0032 -3.3686 3  348.3633728  59516140445 243 1    44 242 1      C-13-H3C(O)CH3
  453970.3839  0.0032 -3.3686 3  348.3633728  59516140445 343 1    44 342 1      C-13-H3C(O)CH3
  453970.4327  0.0031 -3.6072 3  348.3629728 -59516140445 343 2    44 342 2      C-13-H3C(O)CH3
  453970.4327  0.0032 -4.0781 3  348.3633728 -59516140445 243 1    44 342 1      C-13-H3C(O)CH3
  453970.4327  0.0031 -3.5777 3  348.3629728 -59516140445 243 2    44 342 2      C-13-H3C(O)CH3
  453970.4327  0.0032 -4.0781 3  348.3633728 -59516140445 343 1    44 242 1      C-13-H3C(O)CH3
  453970.4438  0.0031 -3.6072 3  348.3629728  59516140445 243 2    44 242 2      C-13-H3C(O)CH3
  453970.4438  0.0031 -3.5777 3  348.3629728  59516140445 343 2    44 242 2      C-13-H3C(O)CH3
  453974.6120  0.0520 -6.5721 3  802.3343412  5951614045144 8 3    5045 6 3      C-13-H3C(O)CH3
  453978.3044  0.0032 -3.4758 3  313.6994600 -595161404371126 1    361225 1      C-13-H3C(O)CH3
  453978.3044  0.0032 -3.4757 3  313.6994600 -595161404371226 1    361125 1      C-13-H3C(O)CH3
  453980.8775  0.0032 -3.4758 3  313.6980600 -595161404371126 2    361225 2      C-13-H3C(O)CH3
  453980.8775  0.0032 -3.4757 3  313.6980600 -595161404371226 2    361125 2      C-13-H3C(O)CH3
  453985.2519  0.0308 -5.9739 3  528.2561696  595161404433113 0    432816 0      C-13-H3C(O)CH3
  453987.4940  0.0404 -6.2702 3  802.3221824  5951614045144 7 2    5045 5 2      C-13-H3C(O)CH3
  453998.8464  0.0025 -3.3064 3  348.3361728 -59516140445 243 0    44 342 0      C-13-H3C(O)CH3
  453998.8464  0.0025 -3.3588 3  348.3361728 -59516140445 343 0    44 242 0      C-13-H3C(O)CH3
  453998.8464  0.0025 -4.1316 3  348.3361728 -59516140445 343 0    44 342 0      C-13-H3C(O)CH3
  453998.8464  0.0025 -4.7492 3  348.3361728 -59516140445 243 0    44 242 0      C-13-H3C(O)CH3
  454009.5244  0.0042 -3.2185 3  163.4912376 -5951614042322 1 1    2221 1 1      C-13-H3C(O)CH3
  454013.1933  0.0027 -3.4757 3  313.7214600 -595161404371126 0    361225 0      C-13-H3C(O)CH3
  454013.1933  0.0027 -3.4757 3  313.7214600 -595161404371226 0    361125 0      C-13-H3C(O)CH3
  454017.9143  0.0239 -5.4146 3  617.3573744  595161404463512 0    4536 9 0      C-13-H3C(O)CH3
  454017.9455  0.0239 -5.4146 3  617.3573744  595161404463511 0    453610 0      C-13-H3C(O)CH3
  454025.0393  0.0041 -3.2185 3  163.5093376 -5951614042322 1 2    2221 1 2      C-13-H3C(O)CH3
  454025.2955  0.0045 -3.5194 3  163.4289188 -5951614042322 1 3    2221 1 3      C-13-H3C(O)CH3
  454027.3953  0.0213 -5.3032 3  442.5238324  595161404402615 4    392713 4      C-13-H3C(O)CH3
  454040.6906  0.0350 -6.1524 3  528.2467696  595161404433113 2    432816 2      C-13-H3C(O)CH3
  454067.1989  0.0403 -6.2697 3  802.3140824  5951614045144 8 1    5045 6 1      C-13-H3C(O)CH3
  454081.2807  0.0359 -6.2688 3  802.3017824  5951614045144 8 0    5045 5 0      C-13-H3C(O)CH3
  454081.2807  0.0359 -6.2688 3  802.3017824  5951614045144 7 0    5045 6 0      C-13-H3C(O)CH3
  454093.4207  0.0134 -6.3755 3  316.8307552  595161404342212 0    341717 0      C-13-H3C(O)CH3
  454100.1232  0.0253 -4.7046 3  620.6570936  59516140458 553 1    58 554 1      C-13-H3C(O)CH3
  454100.1232  0.0253 -4.7046 3  620.6570936  59516140458 653 1    58 454 1      C-13-H3C(O)CH3
  454101.0161  0.0242 -4.9151 3  620.6566936  59516140458 653 2    58 454 2      C-13-H3C(O)CH3
  454101.0161  0.0242 -4.9151 3  620.6566936  59516140458 553 2    58 554 2      C-13-H3C(O)CH3
  454101.0161  0.0242 -5.1193 3  620.6566936  59516140458 553 2    58 454 2      C-13-H3C(O)CH3
  454101.0161  0.0242 -5.1193 3  620.6566936  59516140458 653 2    58 554 2      C-13-H3C(O)CH3
  454102.4773  0.0140 -6.0455 3   76.6841140  5951614041714 3 3    1611 6 3      C-13-H3C(O)CH3
  454109.7402  0.0258 -5.4150 3  617.3736744  595161404463511 1    4536 9 1      C-13-H3C(O)CH3
  454123.8288  0.0484 -6.5711 3  802.3452412  5951614045144 7 3    5045 5 3      C-13-H3C(O)CH3
  454145.7568  0.0246 -5.1711 3  585.6315460  59516140457 453 4    57 454 4      C-13-H3C(O)CH3
  454145.7568  0.0246 -5.1711 3  585.6315460  59516140457 553 4    57 354 4      C-13-H3C(O)CH3
  454145.7568  0.0246 -5.5748 3  585.6315460  59516140457 553 4    57 454 4      C-13-H3C(O)CH3
  454145.7568  0.0246 -5.5748 3  585.6315460  59516140457 453 4    57 354 4      C-13-H3C(O)CH3
  454146.2113  0.0239 -5.1743 3  585.6314460  59516140457 553 3    57 354 3      C-13-H3C(O)CH3
  454146.2113  0.0239 -5.5668 3  585.6314460  59516140457 453 3    57 354 3      C-13-H3C(O)CH3
  454146.2113  0.0239 -5.5668 3  585.6314460  59516140457 553 3    57 454 3      C-13-H3C(O)CH3
  454146.2113  0.0239 -5.1743 3  585.6314460  59516140457 453 3    57 454 3      C-13-H3C(O)CH3
  454181.3912  0.0134 -6.3769 3  316.8085552  595161404342212 1    341717 1      C-13-H3C(O)CH3
  454200.3776  0.0237 -5.4140 3  617.3601744  595161404463512 2    453610 2      C-13-H3C(O)CH3
  454212.6411  0.0241 -5.4145 3  617.3427744  595161404463512 1    453610 1      C-13-H3C(O)CH3
  454213.2539  0.0045 -3.5190 3  163.3720188 -5951614042322 2 4    2221 2 4      C-13-H3C(O)CH3
  454213.2539  0.0040 -3.2180 3  163.4522376 -5951614042322 2 2    2221 2 2      C-13-H3C(O)CH3
  454224.2781  0.0136 -6.3773 3  316.8037552  595161404342212 2    341717 2      C-13-H3C(O)CH3
  454232.1762  0.9171 -6.5061 3 1179.2830A48  595161404654223 0    653926 0      C-13-H3C(O)CH3
  454242.0746  0.0797 -6.0665 3 1290.2052C08  595161404752154 0    752055 0      C-13-H3C(O)CH3
  454242.0746  0.0797 -6.0665 3 1290.2052C08  595161404752254 0    752155 0      C-13-H3C(O)CH3
  454242.0746  0.0797 -5.6466 3 1290.2052C08  595161404752254 0    752055 0      C-13-H3C(O)CH3
  454242.0746  0.0797 -5.6466 3 1290.2052C08  595161404752154 0    752155 0      C-13-H3C(O)CH3
  454262.8139  0.0040 -3.2179 3  163.4440376 -5951614042322 2 1    2221 2 1      C-13-H3C(O)CH3
  454263.2723  0.0040 -3.2180 3  163.5243376 -5951614042322 1 0    2221 2 0      C-13-H3C(O)CH3
  454263.2723  0.0040 -3.2180 3  163.5243376 -5951614042322 2 0    2221 1 0      C-13-H3C(O)CH3
  454280.5500  0.0906 -5.5417 3 1290.2220C08  595161404752254 1    752055 1      C-13-H3C(O)CH3
  454280.5500  0.0906 -6.6166 3 1290.2220C08  595161404752154 1    752055 1      C-13-H3C(O)CH3
  454280.5500  0.0906 -6.6166 3 1290.2220C08  595161404752254 1    752155 1      C-13-H3C(O)CH3
  454280.5500  0.0906 -5.5417 3 1290.2220C08  595161404752154 1    752155 1      C-13-H3C(O)CH3
  454286.6097  0.0926 -5.5076 3 1290.2228C08  595161404752254 2    752055 2      C-13-H3C(O)CH3
  454286.6097  0.0926 -5.5076 3 1290.2228C08  595161404752154 2    752155 2      C-13-H3C(O)CH3
  454290.8638  0.0281 -5.7154 3  617.3764372  595161404463511 3    4536 9 3      C-13-H3C(O)CH3
  454325.1715  0.0664 -5.8239 3 1290.2397604  595161404752254 3    752055 3      C-13-H3C(O)CH3
  454325.1715  0.0664 -5.8239 3 1290.2397604  595161404752154 3    752155 3      C-13-H3C(O)CH3
  454325.2896  0.0664 -5.8285 3 1290.2397604  595161404752254 4    752155 4      C-13-H3C(O)CH3
  454325.2896  0.0664 -5.8285 3 1290.2397604  595161404752154 4    752055 4      C-13-H3C(O)CH3
  454325.5508  0.0254 -5.4146 3  617.3783744  595161404463511 2    4536 9 2      C-13-H3C(O)CH3
  454333.0325  0.0082 -4.6855 3  114.2739172  5951614042114 8 4    2011 9 4      C-13-H3C(O)CH3
  454340.7374  0.0176 -6.1181 3  620.6703936  59516140458 653 0    58 554 0      C-13-H3C(O)CH3
  454340.7374  0.0176 -4.7208 3  620.6703936  59516140458 653 0    58 454 0      C-13-H3C(O)CH3
  454340.7374  0.0176 -4.7208 3  620.6703936  59516140458 553 0    58 554 0      C-13-H3C(O)CH3
  454340.7374  0.0176 -6.1181 3  620.6703936  59516140458 553 0    58 454 0      C-13-H3C(O)CH3
  454375.1642  0.0523 -6.5712 3  802.3161412  5951614045144 8 4    5045 6 4      C-13-H3C(O)CH3
  454388.1805  0.0394 -6.2693 3  802.3039824  5951614045144 8 2    5045 6 2      C-13-H3C(O)CH3
  454393.7764  0.0256 -5.7150 3  617.3454372  595161404463512 4    453610 4      C-13-H3C(O)CH3
  454404.4488  0.0321 -5.0783 3  551.2119452  59516140456 453 4    56 254 4      C-13-H3C(O)CH3
  454404.4488  0.0321 -5.0783 3  551.2119452  59516140456 353 4    56 354 4      C-13-H3C(O)CH3
  454404.6530  0.0313 -5.0886 3  551.2119452  59516140456 353 3    56 254 3      C-13-H3C(O)CH3
  454404.6530  0.0313 -5.0886 3  551.2119452  59516140456 453 3    56 354 3      C-13-H3C(O)CH3
  454417.8658  0.0318 -5.7160 3  617.3946372  595161404463511 4    4536 9 4      C-13-H3C(O)CH3
  454463.5277  0.0413 -6.5094 3  528.2404348  595161404433113 3    432816 3      C-13-H3C(O)CH3
  454495.7271  0.0262 -4.9885 3  585.6325920  59516140457 453 1    57 354 1      C-13-H3C(O)CH3
  454495.7271  0.0262 -5.0667 3  585.6325920  59516140457 453 1    57 454 1      C-13-H3C(O)CH3
  454495.7271  0.0262 -5.0667 3  585.6325920  59516140457 553 1    57 354 1      C-13-H3C(O)CH3
  454495.7271  0.0262 -4.9885 3  585.6325920  59516140457 553 1    57 454 1      C-13-H3C(O)CH3
  454496.5509  0.0237 -4.9727 3  585.6321920  59516140457 553 2    57 454 2      C-13-H3C(O)CH3
  454496.5509  0.0237 -5.0861 3  585.6321920  59516140457 453 2    57 454 2      C-13-H3C(O)CH3
  454496.5509  0.0237 -4.9727 3  585.6321920  59516140457 453 2    57 354 2      C-13-H3C(O)CH3
  454496.5509  0.0237 -5.0861 3  585.6321920  59516140457 553 2    57 354 2      C-13-H3C(O)CH3
  454497.4227  0.1267 -6.2466 3  709.0469412  595161404512922 3    503219 3      C-13-H3C(O)CH3
  454519.0893  0.0277 -5.7155 3  617.3638372  595161404463512 3    453610 3      C-13-H3C(O)CH3
  454560.7509  0.0383 -6.3782 3  528.2449696  595161404433112 1    432816 1      C-13-H3C(O)CH3
  454583.4486  0.1894 -6.3917 3  739.2326420  595161404523022 3    513319 3      C-13-H3C(O)CH3
  454627.7329  0.0074 -4.6722 3  114.2731172  5951614042114 8 3    2011 9 3      C-13-H3C(O)CH3
  454634.3598  0.0165 -4.4104 3  171.1416408 -5951614042518 8 1    2417 7 1      C-13-H3C(O)CH3
  454634.7719  0.0424 -6.3499 3  517.3858444  59516140455 353 3    55 254 3      C-13-H3C(O)CH3
  454634.7719  0.0424 -6.3499 3  517.3858444  59516140455 253 3    55 154 3      C-13-H3C(O)CH3
  454634.7719  0.0424 -5.2091 3  517.3858444  59516140455 253 3    55 254 3      C-13-H3C(O)CH3
  454634.7719  0.0424 -5.2091 3  517.3858444  59516140455 353 3    55 154 3      C-13-H3C(O)CH3
  454635.0810  0.0432 -5.2239 3  517.3859444  59516140455 253 4    55 254 4      C-13-H3C(O)CH3
  454635.0810  0.0432 -6.1843 3  517.3859444  59516140455 253 4    55 154 4      C-13-H3C(O)CH3
  454635.0810  0.0432 -5.2239 3  517.3859444  59516140455 353 4    55 154 4      C-13-H3C(O)CH3
  454635.0810  0.0432 -6.1843 3  517.3859444  59516140455 353 4    55 254 4      C-13-H3C(O)CH3
  454683.8639  0.1736 -6.4816 3 1806.9864D84  595161404863255 2    863156 2      C-13-H3C(O)CH3
  454683.8639  0.1736 -6.4816 3 1806.9864D84  595161404863155 2    863056 2      C-13-H3C(O)CH3
  454685.5228  0.1871 -6.6230 3 1806.9825D84  595161404863255 1    863056 1      C-13-H3C(O)CH3
  454685.5228  0.1871 -6.6230 3 1806.9825D84  595161404863155 1    863156 1      C-13-H3C(O)CH3
  454734.7628  0.1946 -6.4577 3 1806.9739D84  595161404863155 0    863056 0      C-13-H3C(O)CH3
  454764.6194  0.0183 -5.0152 3  414.8846316  595161404392416 4    382513 4      C-13-H3C(O)CH3
  454790.7182  0.1060 -6.2617 3  709.0373412  595161404512922 4    503219 4      C-13-H3C(O)CH3
  454796.8946  0.0586 -5.9587 3  729.4270824  595161404513418 0    513121 0      C-13-H3C(O)CH3
  454834.8347  0.0144 -4.7058 3  414.9022632  595161404392416 2    382513 2      C-13-H3C(O)CH3
  454835.9844  0.0578 -6.0531 3  484.1544436  59516140454 253 3    54 154 3      C-13-H3C(O)CH3
  454835.9844  0.0578 -6.0531 3  484.1544436  59516140454 153 3    54 054 3      C-13-H3C(O)CH3
  454835.9844  0.0578 -5.5185 3  484.1544436  59516140454 253 3    54 054 3      C-13-H3C(O)CH3
  454835.9844  0.0578 -5.5185 3  484.1544436  59516140454 153 3    54 154 3      C-13-H3C(O)CH3
  454837.1894  0.0584 -5.4232 3  484.1544436  59516140454 253 4    54 154 4      C-13-H3C(O)CH3
  454837.1894  0.0584 -5.4232 3  484.1544436  59516140454 153 4    54 054 4      C-13-H3C(O)CH3
  454845.5082  0.0201 -4.8164 3  585.6332920  59516140457 553 0    57 454 0      C-13-H3C(O)CH3
  454845.5082  0.0201 -5.4411 3  585.6332920  59516140457 553 0    57 354 0      C-13-H3C(O)CH3
  454845.5082  0.0201 -5.4411 3  585.6332920  59516140457 453 0    57 454 0      C-13-H3C(O)CH3
  454845.5082  0.0201 -4.8164 3  585.6332920  59516140457 453 0    57 354 0      C-13-H3C(O)CH3
  454847.4778  0.0073 -4.3767 3  114.2585344  5951614042114 8 1    2011 9 1      C-13-H3C(O)CH3
  454871.0139  0.0134 -5.0011 3  414.8815316  595161404392416 3    382513 3      C-13-H3C(O)CH3
  454873.9904  0.0313 -6.0476 3  761.3363808  5951614045042 8 1    4943 6 1      C-13-H3C(O)CH3
  454883.6948  0.0355 -4.7947 3  551.1960904  59516140456 453 1    56 254 1      C-13-H3C(O)CH3
  454883.6948  0.0355 -6.1137 3  551.1960904  59516140456 353 1    56 254 1      C-13-H3C(O)CH3
  454883.6948  0.0355 -6.1137 3  551.1960904  59516140456 453 1    56 354 1      C-13-H3C(O)CH3
  454883.6948  0.0355 -4.7947 3  551.1960904  59516140456 353 1    56 354 1      C-13-H3C(O)CH3
  454884.0910  0.0319 -4.8889 3  551.1956904  59516140456 353 2    56 254 2      C-13-H3C(O)CH3
  454884.0910  0.0319 -5.4088 3  551.1956904  59516140456 353 2    56 354 2      C-13-H3C(O)CH3
  454884.0910  0.0319 -4.8889 3  551.1956904  59516140456 453 2    56 354 2      C-13-H3C(O)CH3
  454884.0910  0.0319 -5.4088 3  551.1956904  59516140456 453 2    56 254 2      C-13-H3C(O)CH3
  454886.1455  0.0769 -6.3518 3 1245.2753B92  595161404742154 0    741955 0      C-13-H3C(O)CH3
  454886.1455  0.0769 -5.4539 3 1245.2753B92  595161404742154 0    742055 0      C-13-H3C(O)CH3
  454886.1455  0.0769 -5.4873 3 1245.2753B92  595161404742054 0    741955 0      C-13-H3C(O)CH3
  454918.4346  0.0030 -3.8613 3  321.4098308  595161404381028 4    371027 4      C-13-H3C(O)CH3
  454918.4346  0.0030 -4.4039 3  321.4098308  595161404381128 4    371027 4      C-13-H3C(O)CH3
  454918.4455  0.0029 -3.7884 3  321.4098308 -595161404381028 3    371127 3      C-13-H3C(O)CH3
  454918.4455  0.0030 -4.4039 3  321.4098308 -595161404381028 4    371127 4      C-13-H3C(O)CH3
  454918.4455  0.0029 -4.6113 3  321.4098308 -595161404381128 3    371027 3      C-13-H3C(O)CH3
  454918.4455  0.0030 -3.8613 3  321.4098308 -595161404381128 4    371127 4      C-13-H3C(O)CH3
  454918.5210  0.0029 -3.8164 3  321.4098308  595161404381028 3    371027 3      C-13-H3C(O)CH3
  454918.5210  0.0029 -4.8447 3  321.4098308  595161404381128 3    371127 3      C-13-H3C(O)CH3
  454929.7431  0.0420 -6.3496 3  761.3540404  5951614045042 8 4    4943 6 4      C-13-H3C(O)CH3
  454939.7987  0.0893 -5.4320 3 1245.2896B92  595161404742154 1    741955 1      C-13-H3C(O)CH3
  454939.7987  0.0893 -5.4320 3 1245.2896B92  595161404742054 1    742055 1      C-13-H3C(O)CH3
  454945.2892  0.0909 -6.3601 3 1245.2901B92  595161404742054 2    742055 2      C-13-H3C(O)CH3
  454945.2892  0.0909 -6.3601 3 1245.2901B92  595161404742154 2    741955 2      C-13-H3C(O)CH3
  454945.2892  0.0909 -5.4860 3 1245.2901B92  595161404742054 2    741955 2      C-13-H3C(O)CH3
  454945.2892  0.0909 -5.4860 3 1245.2901B92  595161404742154 2    742055 2      C-13-H3C(O)CH3
  454951.5502  0.0033 -6.5396 3  321.4321616 -595161404381128 1    371027 1      C-13-H3C(O)CH3
  454951.5502  0.0033 -6.5396 3  321.4321616 -595161404381028 1    371127 1      C-13-H3C(O)CH3
  454951.5794  0.0033 -3.4512 3  321.4321616  595161404381128 1    371127 1      C-13-H3C(O)CH3
  454951.5794  0.0033 -3.4512 3  321.4321616  595161404381028 1    371027 1      C-13-H3C(O)CH3
  454953.4229  0.0033 -4.4211 3  321.4310616  595161404381028 2    371027 2      C-13-H3C(O)CH3
  454953.4229  0.0033 -4.3053 3  321.4310616  595161404381128 2    371127 2      C-13-H3C(O)CH3
  454953.4682  0.0033 -3.5163 3  321.4310616 -595161404381028 2    371127 2      C-13-H3C(O)CH3
  454953.4682  0.0033 -3.5000 3  321.4310616 -595161404381128 2    371027 2      C-13-H3C(O)CH3
  454986.2769  0.0027 -3.4589 3  321.4533616 -595161404381128 0    371027 0      C-13-H3C(O)CH3
  454986.2769  0.0027 -3.4610 3  321.4533616 -595161404381028 0    371127 0      C-13-H3C(O)CH3
  454986.4262  0.0027 -5.1879 3  321.4533616  595161404381128 0    371127 0      C-13-H3C(O)CH3
  454986.4262  0.0027 -5.0857 3  321.4533616  595161404381028 0    371027 0      C-13-H3C(O)CH3
  454999.0413  0.0633 -5.7335 3 1245.3043596  595161404742054 3    741955 3      C-13-H3C(O)CH3
  454999.0413  0.0633 -5.7343 3 1245.3043596  595161404742154 3    742055 3      C-13-H3C(O)CH3
  454999.1836  0.0634 -5.8633 3 1245.3043596  595161404742154 4    741955 4      C-13-H3C(O)CH3
  454999.1836  0.0634 -5.8633 3 1245.3043596  595161404742054 4    742055 4      C-13-H3C(O)CH3
  454999.1836  0.0634 -6.3173 3 1245.3043596  595161404742054 4    741955 4      C-13-H3C(O)CH3
  454999.1836  0.0634 -6.3173 3 1245.3043596  595161404742154 4    742055 4      C-13-H3C(O)CH3
  455050.9942  0.0528 -6.4515 3  528.2467696  595161404433112 2    432816 2      C-13-H3C(O)CH3
  455054.9208  0.0303 -6.0468 3  761.3010808  5951614045042 8 0    4943 6 0      C-13-H3C(O)CH3
  455054.9208  0.0303 -6.0468 3  761.3010808  5951614045042 9 0    4943 7 0      C-13-H3C(O)CH3
  455066.0487  0.0032 -3.5943 3  351.1882372  59516140446 145 3    45 244 3      C-13-H3C(O)CH3
  455066.0487  0.0032 -4.9053 3  351.1882372  59516140446 245 3    45 244 3      C-13-H3C(O)CH3
  455066.0639  0.0032 -4.7231 3  351.1883372  59516140446 245 4    45 244 4      C-13-H3C(O)CH3
  455066.0639  0.0032 -3.6055 3  351.1883372  59516140446 145 4    45 244 4      C-13-H3C(O)CH3
  455066.1456  0.0169 -4.1932 3  171.1403408 -5951614042518 8 2    2417 7 2      C-13-H3C(O)CH3
  455066.1456  0.0032 -3.5943 3  351.1882372 -59516140446 245 3    45 144 3      C-13-H3C(O)CH3
  455066.1456  0.0032 -4.9053 3  351.1882372 -59516140446 145 3    45 144 3      C-13-H3C(O)CH3
  455066.1456  0.0032 -4.7231 3  351.1883372 -59516140446 145 4    45 144 4      C-13-H3C(O)CH3
  455066.1456  0.0032 -3.6055 3  351.1883372 -59516140446 245 4    45 144 4      C-13-H3C(O)CH3
  455069.9409  0.0563 -6.0925 3  729.4255824  595161404513418 1    513121 1      C-13-H3C(O)CH3
  455071.3056  0.0091 -4.6987 3  414.8979632  595161404392416 1    382513 1      C-13-H3C(O)CH3
  455073.5243  0.1561 -6.4377 3  739.2165420  595161404523022 4    513319 4      C-13-H3C(O)CH3
  455085.0543  0.0039 -3.9095 3  351.1442744 -59516140446 245 1    45 244 1      C-13-H3C(O)CH3
  455085.0543  0.0036 -5.2494 3  351.1438744 -59516140446 245 2    45 144 2      C-13-H3C(O)CH3
  455085.0543  0.0036 -5.2494 3  351.1438744 -59516140446 145 2    45 244 2      C-13-H3C(O)CH3
  455085.0543  0.0039 -3.3863 3  351.1442744 -59516140446 145 1    45 244 1      C-13-H3C(O)CH3
  455085.0755  0.0039 -3.9095 3  351.1442744  59516140446 145 1    45 144 1      C-13-H3C(O)CH3
  455085.0755  0.0039 -3.3863 3  351.1442744  59516140446 245 1    45 144 1      C-13-H3C(O)CH3
  455085.1272  0.0036 -3.2770 3  351.1438744  59516140446 145 2    45 144 2      C-13-H3C(O)CH3
  455085.1272  0.0036 -3.2770 3  351.1438744  59516140446 245 2    45 244 2      C-13-H3C(O)CH3
  455093.2407  0.0078 -4.6969 3  414.9168632  595161404392416 0    382513 0      C-13-H3C(O)CH3
  455104.0514  0.0031 -3.5262 3  351.0998744 -59516140446 245 0    45 144 0      C-13-H3C(O)CH3
  455104.0514  0.0031 -3.5262 3  351.0998744 -59516140446 145 0    45 244 0      C-13-H3C(O)CH3
  455104.0997  0.0031 -3.6263 3  351.0998744  59516140446 245 0    45 244 0      C-13-H3C(O)CH3
  455104.0997  0.0031 -3.6263 3  351.0998744  59516140446 145 0    45 144 0      C-13-H3C(O)CH3
  455109.6940  0.0338 -6.0478 3  761.3188808  5951614045042 8 2    4943 6 2      C-13-H3C(O)CH3
  455126.4846  0.0071 -4.3776 3  114.2503344  5951614042114 8 2    2011 9 2      C-13-H3C(O)CH3
  455137.6603  0.0354 -6.0474 3  761.3053808  5951614045042 9 1    4943 7 1      C-13-H3C(O)CH3
  455193.9272  0.0432 -6.3495 3  761.3231404  5951614045042 9 3    4943 7 3      C-13-H3C(O)CH3
  455195.6879  0.0751 -6.1189 3  729.4241824  595161404513418 2    513121 2      C-13-H3C(O)CH3
  455223.6610  0.1292 -5.9459 3  709.0365824  595161404512922 2    503219 2      C-13-H3C(O)CH3
  455229.9431  0.0393 -6.3486 3  761.3393404  5951614045042 8 3    4943 6 3      C-13-H3C(O)CH3
  455264.5910  0.0516 -6.5910 3  517.3477888  59516140455 353 2    55 154 2      C-13-H3C(O)CH3
  455264.5910  0.0516 -4.8846 3  517.3477888  59516140455 253 2    55 154 2      C-13-H3C(O)CH3
  455264.5910  0.0516 -6.5910 3  517.3477888  59516140455 253 2    55 254 2      C-13-H3C(O)CH3
  455264.5910  0.0516 -4.8846 3  517.3477888  59516140455 353 2    55 254 2      C-13-H3C(O)CH3
  455265.1374  0.0554 -4.8793 3  517.3481888  59516140455 353 1    55 154 1      C-13-H3C(O)CH3
  455265.1374  0.0554 -4.8793 3  517.3481888  59516140455 253 1    55 254 1      C-13-H3C(O)CH3
  455290.4222  0.0759 -6.4643 3  729.4221412  595161404513418 4    513121 4      C-13-H3C(O)CH3
  455362.2585  0.0285 -4.7734 3  551.1798904  59516140456 353 0    56 354 0      C-13-H3C(O)CH3
  455362.2585  0.0285 -4.7734 3  551.1798904  59516140456 453 0    56 254 0      C-13-H3C(O)CH3
  455372.2589  0.0037 -3.6244 3  166.3629196 -5951614042420 4 4    2319 4 4      C-13-H3C(O)CH3
  455386.5852  0.0158 -4.0031 3  171.1178204  5951614042518 8 3    2417 7 3      C-13-H3C(O)CH3
  455409.4280  0.0332 -6.0468 3  761.3040808  5951614045042 9 2    4943 7 2      C-13-H3C(O)CH3
  455410.2172  0.0081 -5.4525 3   76.6350280  5951614041714 3 0    1611 6 0      C-13-H3C(O)CH3
  455419.0575  0.0836 -5.9428 3  709.0348824  595161404512922 1    503219 1      C-13-H3C(O)CH3
  455492.6241  0.0440 -6.3485 3  761.3083404  5951614045042 9 4    4943 7 4      C-13-H3C(O)CH3
  455493.6094  0.0065 -4.3757 3  114.2354344  5951614042114 8 0    2011 9 0      C-13-H3C(O)CH3
  455504.9191  0.0032 -3.6243 3  166.3117196 -5951614042420 4 3    2319 4 3      C-13-H3C(O)CH3
  455506.6545  0.0730 -5.5891 3 1200.9215B76  595161404731954 0    731955 0      C-13-H3C(O)CH3
  455506.6545  0.0730 -5.5897 3 1200.9215B76  595161404732054 0    731855 0      C-13-H3C(O)CH3
  455506.6545  0.0730 -5.7446 3 1200.9215B76  595161404732054 0    731955 0      C-13-H3C(O)CH3
  455506.6545  0.0730 -5.7438 3 1200.9215B76  595161404731954 0    731855 0      C-13-H3C(O)CH3
  455537.0225  0.0084 -6.5277 3  224.1239244  595161404301317 4    301020 4      C-13-H3C(O)CH3
  455537.2483  0.0073 -6.5277 3  224.1238244  595161404301317 3    301020 3      C-13-H3C(O)CH3
  455538.6106  1.2523 -6.5136 3 1179.2742A48  595161404654223 2    653926 2      C-13-H3C(O)CH3
  455539.5440  0.0084 -6.5277 3  224.1239244  595161404301417 4    301120 4      C-13-H3C(O)CH3
  455539.7812  0.0073 -6.5277 3  224.1238244  595161404301417 3    301120 3      C-13-H3C(O)CH3
  455542.7633  0.0147 -5.8319 3  500.3120696  595161404432519 0    432222 0      C-13-H3C(O)CH3
  455558.1312  0.0034 -3.6240 3  166.3081196 -5951614042420 5 3    2319 5 3      C-13-H3C(O)CH3
  455572.4937  0.0031 -3.3229 3  166.3608392 -5951614042420 4 1    2319 4 1      C-13-H3C(O)CH3
  455573.7525  0.1244 -6.6352 3 1755.7764684  595161404853155 4    852956 4      C-13-H3C(O)CH3
  455573.7525  0.1244 -6.6352 3 1755.7764684  595161404853055 4    853056 4      C-13-H3C(O)CH3
  455575.4432  0.0862 -5.8625 3 1200.9324B76  595161404731954 1    731855 1      C-13-H3C(O)CH3
  455575.4432  0.0862 -5.5221 3 1200.9324B76  595161404732054 1    731855 1      C-13-H3C(O)CH3
  455575.4432  0.0862 -5.5221 3 1200.9324B76  595161404731954 1    731955 1      C-13-H3C(O)CH3
  455575.4432  0.0862 -5.8625 3 1200.9324B76  595161404732054 1    731955 1      C-13-H3C(O)CH3
  455580.2328  0.0874 -5.6850 3 1200.9327B76  595161404731954 2    731855 2      C-13-H3C(O)CH3
  455580.2328  0.0874 -5.6360 3 1200.9327B76  595161404731954 2    731955 2      C-13-H3C(O)CH3
  455580.2328  0.0874 -5.6360 3 1200.9327B76  595161404732054 2    731855 2      C-13-H3C(O)CH3
  455580.2328  0.0874 -5.6850 3 1200.9327B76  595161404732054 2    731955 2      C-13-H3C(O)CH3
  455584.3827  0.0189 -5.8317 3  500.2876696  595161404432519 2    432222 2      C-13-H3C(O)CH3
  455593.9681  0.0296 -5.8600 3  630.9294776  595161404482920 0    482623 0      C-13-H3C(O)CH3
  455621.5060  0.1867 -6.1009 3  739.2146840  595161404523022 2    513319 2      C-13-H3C(O)CH3
  455621.9266  0.1606 -6.3663 3 1755.7612D68  595161404853055 1    852956 1      C-13-H3C(O)CH3
  455621.9266  0.1606 -6.3663 3 1755.7612D68  595161404853155 1    853056 1      C-13-H3C(O)CH3
  455622.1898  0.1514 -6.3402 3 1755.7649D68  595161404853155 2    853056 2      C-13-H3C(O)CH3
  455622.1898  0.1514 -6.3402 3 1755.7649D68  595161404853055 2    852956 2      C-13-H3C(O)CH3
  455622.5664  0.0032 -3.3227 3  166.3718392 -5951614042420 4 2    2319 4 2      C-13-H3C(O)CH3
  455638.9704  0.0818 -5.2199 3  484.0888872  59516140454 253 2    54 154 2      C-13-H3C(O)CH3
  455638.9704  0.0818 -5.7346 3  484.0888872  59516140454 253 2    54 054 2      C-13-H3C(O)CH3
  455638.9704  0.0818 -5.2199 3  484.0888872  59516140454 153 2    54 054 2      C-13-H3C(O)CH3
  455638.9704  0.0818 -5.7346 3  484.0888872  59516140454 153 2    54 154 2      C-13-H3C(O)CH3
  455639.4161  0.0161 -5.8313 3  500.2905696  595161404432519 1    432222 1      C-13-H3C(O)CH3
  455641.1515  0.0855 -5.6340 3  484.0891872  59516140454 253 1    54 054 1      C-13-H3C(O)CH3
  455641.1515  0.0855 -5.6340 3  484.0891872  59516140454 153 1    54 154 1      C-13-H3C(O)CH3
  455641.1515  0.0855 -5.2562 3  484.0891872  59516140454 153 1    54 054 1      C-13-H3C(O)CH3
  455641.1515  0.0855 -5.2562 3  484.0891872  59516140454 253 1    54 154 1      C-13-H3C(O)CH3
  455649.1320  0.0602 -5.6792 3 1200.9437588  595161404732054 3    731855 3      C-13-H3C(O)CH3
  455649.1320  0.0602 -5.6792 3 1200.9437588  595161404731954 3    731955 3      C-13-H3C(O)CH3
  455649.2970  0.0602 -5.6597 3 1200.9437588  595161404732054 4    731855 4      C-13-H3C(O)CH3
  455649.2970  0.0602 -5.6597 3 1200.9437588  595161404731954 4    731955 4      C-13-H3C(O)CH3
  455670.2672  0.1696 -6.5599 3 1755.7498D68  595161404853155 0    852956 0      C-13-H3C(O)CH3
  455670.2672  0.1696 -6.5599 3 1755.7498D68  595161404853055 0    853056 0      C-13-H3C(O)CH3
  455680.1611  0.0197 -6.1320 3  500.2660348  595161404432519 4    432222 4      C-13-H3C(O)CH3
  455683.2320  0.0195 -6.1320 3  500.2660348  595161404432519 3    432222 3      C-13-H3C(O)CH3
  455687.5577  0.0073 -6.2262 3  224.1340488  595161404301317 2    301020 2      C-13-H3C(O)CH3
  455690.1294  0.0073 -6.2262 3  224.1340488  595161404301417 2    301120 2      C-13-H3C(O)CH3
  455690.4807  0.0029 -3.6238 3  166.2570196 -5951614042420 5 4    2319 5 4      C-13-H3C(O)CH3
  455714.3398  0.0292 -5.8596 3  630.9148776  595161404482920 2    482623 2      C-13-H3C(O)CH3
  455718.3213  0.0313 -5.8593 3  630.9172776  595161404482920 1    482623 1      C-13-H3C(O)CH3
  455728.4189  0.0073 -6.2253 3  224.1357488  595161404301317 1    301020 1      C-13-H3C(O)CH3
  455730.8776  0.0073 -6.2253 3  224.1357488  595161404301417 1    301120 1      C-13-H3C(O)CH3
  455754.2562  0.0029 -3.3225 3  166.3207392 -5951614042420 5 2    2319 5 2      C-13-H3C(O)CH3
  455757.3075  0.0028 -3.3224 3  166.3061392 -5951614042420 5 1    2319 5 1      C-13-H3C(O)CH3
  455758.2079  0.0256 -6.4942 3  400.5689300  5951614043729 9 3    372611 3      C-13-H3C(O)CH3
  455821.3700  0.0030 -3.3221 3  166.3697392 -5951614042420 5 0    2319 4 0      C-13-H3C(O)CH3
  455822.2140  0.0030 -3.3221 3  166.3696392 -5951614042420 4 0    2319 5 0      C-13-H3C(O)CH3
  455830.3996  0.0287 -6.1600 3  630.9026388  595161404482920 4    482623 4      C-13-H3C(O)CH3
  455843.3775  0.1182 -6.0926 3  739.2125840  595161404523022 1    513319 1      C-13-H3C(O)CH3
  455850.2687  0.0279 -6.1599 3  630.9026388  595161404482920 3    482623 3      C-13-H3C(O)CH3
  455853.8418  0.0028 -3.4859 3  171.1405408 -5951614042518 8 0    2417 7 0      C-13-H3C(O)CH3
  455878.4836  0.0068 -6.2243 3  224.1458488  595161404301317 0    301020 0      C-13-H3C(O)CH3
  455880.9823  0.0068 -6.2243 3  224.1458488  595161404301417 0    301120 0      C-13-H3C(O)CH3
  455884.6232  0.0125 -5.9283 3   76.6540280  5951614041714 3 1    1611 6 1      C-13-H3C(O)CH3
  455892.5025  0.0408 -6.3743 3  576.7480728  595161404453214 1    452916 1      C-13-H3C(O)CH3
  455893.6220  0.0455 -5.7367 3  517.3100888  59516140455 353 0    55 254 0      C-13-H3C(O)CH3
  455893.6220  0.0455 -4.9388 3  517.3100888  59516140455 353 0    55 154 0      C-13-H3C(O)CH3
  455893.6220  0.0455 -5.7367 3  517.3100888  59516140455 253 0    55 154 0      C-13-H3C(O)CH3
  455893.6220  0.0455 -4.9388 3  517.3100888  59516140455 253 0    55 254 0      C-13-H3C(O)CH3
  455911.6013  0.0046 -4.1981 3  171.1178204 -5951614042518 7 3    2417 7 3      C-13-H3C(O)CH3
  455923.8826  0.0259 -6.0575 3  462.0714648  595161404403010 0    402713 0      C-13-H3C(O)CH3
  455933.5372  0.0030 -3.7306 3  328.5859316 -595161404391030 4    38 929 4      C-13-H3C(O)CH3
  455933.5372  0.0030 -6.1831 3  328.5859316 -59516140439 930 4    38 929 4      C-13-H3C(O)CH3
  455933.5372  0.0029 -3.7393 3  328.5859316 -59516140439 930 3    381029 3      C-13-H3C(O)CH3
  455933.5372  0.0029 -3.7393 3  328.5859316 -595161404391030 3    38 929 3      C-13-H3C(O)CH3
  455933.5783  0.0030 -3.8717 3  328.5859316  59516140439 930 4    381029 4      C-13-H3C(O)CH3
  455933.5783  0.0030 -4.2823 3  328.5859316  595161404391030 4    381029 4      C-13-H3C(O)CH3
  455933.6578  0.0029 -5.3645 3  328.5859316  59516140439 930 3    38 929 3      C-13-H3C(O)CH3
  455933.6578  0.0029 -5.3645 3  328.5859316  595161404391030 3    381029 3      C-13-H3C(O)CH3
  455953.7745  0.0033 -3.8076 3  171.1489204  5951614042518 7 4    2417 7 4      C-13-H3C(O)CH3
  455964.9650  0.0121 -5.9007 3   76.6560280  5951614041714 3 2    1611 6 2      C-13-H3C(O)CH3
  455967.7766  0.0033 -3.9738 3  328.6066632  595161404391030 1    38 929 1      C-13-H3C(O)CH3
  455967.7766  0.0033 -3.5736 3  328.6066632  59516140439 930 1    38 929 1      C-13-H3C(O)CH3
  455967.7826  0.0033 -3.5736 3  328.6066632 -595161404391030 1    381029 1      C-13-H3C(O)CH3
  455967.7826  0.0033 -3.9738 3  328.6066632 -59516140439 930 1    381029 1      C-13-H3C(O)CH3
  455969.1479  0.0033 -3.7339 3  328.6057632  59516140439 930 2    381029 2      C-13-H3C(O)CH3
  455969.1479  0.0033 -3.7339 3  328.6057632  595161404391030 2    38 929 2      C-13-H3C(O)CH3
  455969.1580  0.0033 -3.7244 3  328.6057632 -595161404391030 2    381029 2      C-13-H3C(O)CH3
  455969.1580  0.0033 -3.7244 3  328.6057632 -59516140439 930 2    38 929 2      C-13-H3C(O)CH3
  455972.9962  0.8904 -6.5175 3 1179.2645A48  595161404654223 1    653926 1      C-13-H3C(O)CH3
  455988.6055  0.0237 -6.2039 3  400.5688600  5951614043729 9 1    372612 1      C-13-H3C(O)CH3
  455989.1606  0.0307 -6.4696 3  462.0503324  595161404403010 3    402713 3      C-13-H3C(O)CH3
  455991.8517  0.0971 -5.9353 3  709.0294824  595161404512922 0    503219 0      C-13-H3C(O)CH3
  456002.2472  0.0152 -6.2487 3  358.8960584  595161404362412 0    361917 0      C-13-H3C(O)CH3
  456003.2107  0.0027 -3.5718 3  328.6264632  595161404391030 0    381029 0      C-13-H3C(O)CH3
  456003.2107  0.0027 -3.5718 3  328.6264632  59516140439 930 0    38 929 0      C-13-H3C(O)CH3
  456003.2371  0.0027 -3.9784 3  328.6264632 -595161404391030 0    38 929 0      C-13-H3C(O)CH3
  456003.2371  0.0027 -3.9784 3  328.6264632 -59516140439 930 0    381029 0      C-13-H3C(O)CH3
  456005.4063  0.0271 -6.4846 3  400.5783300  5951614043729 8 4    372611 4      C-13-H3C(O)CH3
  456031.4015  0.0280 -6.4898 3  400.5451300  5951614043729 9 4    372612 4      C-13-H3C(O)CH3
  456032.3317  0.0156 -6.2491 3  358.8732584  595161404362412 1    361917 1      C-13-H3C(O)CH3
  456087.8032  0.0235 -6.1880 3  400.5974600  5951614043729 8 2    372611 2      C-13-H3C(O)CH3
  456092.1568  0.0029 -3.5417 3  171.1416408 -5951614042518 7 1    2417 7 1      C-13-H3C(O)CH3
  456095.7859  0.0263 -6.1541 3  462.0591648  595161404403010 1    402713 1      C-13-H3C(O)CH3
  456105.1010  0.0681 -5.8765 3 1157.1445B60  595161404721854 0    721855 0      C-13-H3C(O)CH3
  456105.1010  0.0681 -5.4183 3 1157.1445B60  595161404721954 0    721855 0      C-13-H3C(O)CH3
  456105.1010  0.0681 -5.4183 3 1157.1445B60  595161404721854 0    721755 0      C-13-H3C(O)CH3
  456105.1010  0.0681 -5.8765 3 1157.1445B60  595161404721954 0    721755 0      C-13-H3C(O)CH3
  456113.1193  0.0388 -5.9875 3  576.7537728  595161404453213 0    452916 0      C-13-H3C(O)CH3
  456113.9287  0.0470 -6.4208 3  576.7512728  595161404453214 2    452916 2      C-13-H3C(O)CH3
  456139.1954  0.0033 -3.5808 3  171.1403408 -5951614042518 7 2    2417 7 2      C-13-H3C(O)CH3
  456177.6593  0.0148 -6.5909 3   63.9045248  5951614041515 1 1    1412 3 1      C-13-H3C(O)CH3
  456184.2920  0.0263 -6.0999 3  462.0732648  595161404403010 2    402713 2      C-13-H3C(O)CH3
  456188.4019  0.0812 -5.2905 3 1157.1516B60  595161404721854 1    721755 1      C-13-H3C(O)CH3
  456188.4019  0.0812 -5.2905 3 1157.1516B60  595161404721954 1    721855 1      C-13-H3C(O)CH3
  456192.4046  0.0821 -5.5818 3 1157.1517B60  595161404721854 2    721855 2      C-13-H3C(O)CH3
  456192.4046  0.0821 -5.5818 3 1157.1517B60  595161404721954 2    721755 2      C-13-H3C(O)CH3
  456192.4046  0.0821 -5.5972 3 1157.1517B60  595161404721854 2    721755 2      C-13-H3C(O)CH3
  456192.4046  0.0821 -5.5972 3 1157.1517B60  595161404721954 2    721855 2      C-13-H3C(O)CH3
  456199.1517  0.0047 -6.2416 3  353.4517380 -59516140447 147 3    46 046 3      C-13-H3C(O)CH3
  456199.1517  0.0047 -3.5557 3  353.4517380 -59516140447 047 3    46 046 3      C-13-H3C(O)CH3
  456199.1517  0.0047 -6.0213 3  353.4517380 -59516140447 147 4    46 046 4      C-13-H3C(O)CH3
  456199.1517  0.0047 -6.0213 3  353.4517380 -59516140447 047 4    46 146 4      C-13-H3C(O)CH3
  456199.2095  0.0047 -3.5563 3  353.4517380  59516140447 147 4    46 146 4      C-13-H3C(O)CH3
  456199.2095  0.0047 -3.5563 3  353.4517380  59516140447 047 4    46 046 4      C-13-H3C(O)CH3
  456199.2191  0.0047 -3.5557 3  353.4517380  59516140447 147 3    46 146 3      C-13-H3C(O)CH3
  456199.2191  0.0047 -6.2416 3  353.4517380  59516140447 047 3    46 146 3      C-13-H3C(O)CH3
  456200.2092  0.0236 -6.2021 3  400.5793600  5951614043729 8 1    372611 1      C-13-H3C(O)CH3
  456200.8510  0.0275 -6.3769 3  462.0659324  595161404403010 4    402713 4      C-13-H3C(O)CH3
  456203.5816  0.0065 -3.2536 3  353.3854760  59516140447 047 1    46 046 1      C-13-H3C(O)CH3
  456203.5816  0.0065 -3.2536 3  353.3854760  59516140447 147 1    46 146 1      C-13-H3C(O)CH3
  456203.6166  0.0060 -5.8530 3  353.3850760 -59516140447 147 2    46 046 2      C-13-H3C(O)CH3
  456203.6166  0.0060 -5.8530 3  353.3850760 -59516140447 047 2    46 146 2      C-13-H3C(O)CH3
  456203.7382  0.0060 -3.2547 3  353.3850760  59516140447 047 2    46 046 2      C-13-H3C(O)CH3
  456203.7382  0.0060 -3.2547 3  353.3850760  59516140447 147 2    46 146 2      C-13-H3C(O)CH3
  456208.0822  0.0050 -3.4824 3  353.3188760  59516140447 047 0    46 146 0      C-13-H3C(O)CH3
  456208.0822  0.0050 -3.6411 3  353.3188760  59516140447 147 0    46 146 0      C-13-H3C(O)CH3
  456208.1669  0.0050 -3.4824 3  353.3188760 -59516140447 147 0    46 046 0      C-13-H3C(O)CH3
  456208.1669  0.0050 -3.6411 3  353.3188760 -59516140447 047 0    46 046 0      C-13-H3C(O)CH3
  456216.9114  0.0141 -6.5926 3   63.9149248  5951614041515 1 2    1412 3 2      C-13-H3C(O)CH3
  456217.7689  0.0932 -6.2925 3  729.4231412  595161404513418 3    513121 3      C-13-H3C(O)CH3
  456233.7256  0.0032 -3.8082 3  171.0570204 -5951614042518 8 4    2417 8 4      C-13-H3C(O)CH3
  456238.4210  0.0328 -5.4105 3  419.0487316  595161404392514 4    382612 4      C-13-H3C(O)CH3
  456240.8069  0.0263 -5.5709 3  396.2291616  595161404382414 2    372512 2      C-13-H3C(O)CH3
  456242.0124  0.0228 -6.1860 3  400.5998600  5951614043729 8 0    372611 0      C-13-H3C(O)CH3
  456259.5477  0.0320 -5.7110 3  396.2100308  595161404382414 4    372512 4      C-13-H3C(O)CH3
  456273.9222  0.0050 -4.1971 3  171.0882204 -5951614042518 8 3    2417 8 3      C-13-H3C(O)CH3
  456275.8265  0.0568 -6.3947 3 1157.1587580  595161404721954 3    721855 3      C-13-H3C(O)CH3
  456275.8265  0.0568 -6.3947 3 1157.1587580  595161404721854 3    721755 3      C-13-H3C(O)CH3
  456275.8265  0.0568 -5.6631 3 1157.1587580  595161404721954 3    721755 3      C-13-H3C(O)CH3
  456275.8265  0.0568 -5.6631 3 1157.1587580  595161404721854 3    721855 3      C-13-H3C(O)CH3
  456276.0109  0.0569 -5.8370 3 1157.1587580  595161404721854 4    721855 4      C-13-H3C(O)CH3
  456276.0109  0.0569 -5.9509 3 1157.1587580  595161404721854 4    721755 4      C-13-H3C(O)CH3
  456276.0109  0.0569 -6.0297 3 1157.1587580  595161404721954 4    721755 4      C-13-H3C(O)CH3
  456276.0109  0.0569 -5.7848 3 1157.1587580  595161404721954 4    721855 4      C-13-H3C(O)CH3
  456280.3693  0.0263 -6.4957 3  400.5545300  5951614043729 8 3    372612 3      C-13-H3C(O)CH3
  456286.1372  0.0135 -6.5963 3   63.9843248  5951614041515 0 1    1412 2 1      C-13-H3C(O)CH3
  456288.7261  0.0782 -6.5386 3  729.4255824  595161404513417 1    513121 1      C-13-H3C(O)CH3
  456311.5918  0.0281 -5.2164 3  419.0635632  595161404392514 2    382612 2      C-13-H3C(O)CH3
  456341.3203  0.0030 -3.5417 3  171.0847408 -5951614042518 8 1    2417 8 1      C-13-H3C(O)CH3
  456363.9413  0.0238 -6.1913 3  400.5736600  5951614043729 9 2    372612 2      C-13-H3C(O)CH3
  456367.7461  0.0227 -6.1858 3  400.5956600  5951614043729 9 0    372612 0      C-13-H3C(O)CH3
  456387.9856  0.0184 -6.2613 3  358.8668584  595161404362412 2    361917 2      C-13-H3C(O)CH3
  456394.6524  0.0175 -6.5591 3  358.8440292  595161404362412 3    361917 3      C-13-H3C(O)CH3
  456402.0068  0.0279 -6.1516 3  396.2050308  595161404382414 3    372512 3      C-13-H3C(O)CH3
  456410.5142  0.0033 -3.5811 3  171.0954408 -5951614042518 8 2    2417 8 2      C-13-H3C(O)CH3
  456419.5214  0.0301 -5.8428 3  721.6435792  5951614044940 9 1    4841 7 1      C-13-H3C(O)CH3
  456426.8746  0.0201 -6.5651 3  358.8440292  595161404362412 4    361917 4      C-13-H3C(O)CH3
  456437.7282  0.0274 -6.1549 3  462.0250648  595161404403011 1    402714 1      C-13-H3C(O)CH3
  456441.4866  0.0050 -4.9489 3   75.6312156  59516140419 613 3    18 514 3      C-13-H3C(O)CH3
  456441.6092  0.0050 -4.9489 3   75.6312156  59516140419 713 3    18 414 3      C-13-H3C(O)CH3
  456441.6848  0.0066 -4.9489 3   75.6312156  59516140419 613 4    18 514 4      C-13-H3C(O)CH3
  456441.8060  0.0066 -4.9489 3   75.6312156  59516140419 713 4    18 414 4      C-13-H3C(O)CH3
  456442.1362  0.0721 -5.1113 3  484.0237872  59516140454 253 0    54 154 0      C-13-H3C(O)CH3
  456442.1362  0.0721 -5.1113 3  484.0237872  59516140454 153 0    54 054 0      C-13-H3C(O)CH3
  456506.4175  0.0286 -5.8420 3  721.6140792  5951614044940 9 0    4841 8 0      C-13-H3C(O)CH3
  456506.4175  0.0286 -5.8420 3  721.6140792  595161404494010 0    4841 7 0      C-13-H3C(O)CH3
  456525.3391  0.0288 -5.7729 3  419.0377316  595161404392514 3    382612 3      C-13-H3C(O)CH3
  456525.7779  0.1373 -6.2934 3 1705.1040D52  595161404843055 1    842856 1      C-13-H3C(O)CH3
  456525.7779  0.1373 -6.2934 3 1705.1040D52  595161404842955 1    842956 1      C-13-H3C(O)CH3
  456527.7770  0.1319 -6.2463 3 1705.1075D52  595161404843055 2    842856 2      C-13-H3C(O)CH3
  456527.7770  0.1319 -6.2463 3 1705.1075D52  595161404842955 2    842956 2      C-13-H3C(O)CH3
  456540.3550  0.0130 -6.5986 3   63.9881248  5951614041515 0 2    1412 2 2      C-13-H3C(O)CH3
  456571.6128  0.1474 -6.2765 3 1705.0901D52  595161404842955 0    842956 0      C-13-H3C(O)CH3
  456571.6128  0.1474 -6.2765 3 1705.0901D52  595161404843055 0    842856 0      C-13-H3C(O)CH3
  456598.5007  0.0369 -6.1445 3  721.6612396  5951614044940 9 4    4841 7 4      C-13-H3C(O)CH3
  456612.6032  0.1372 -6.0749 3  739.2031840  595161404523022 0    513319 0      C-13-H3C(O)CH3
  456659.7869  0.0331 -5.8425 3  721.6122792  595161404494010 1    4841 8 1      C-13-H3C(O)CH3
  456676.3296  0.0182 -6.3982 3   76.6675140  5951614041714 3 4    1611 6 4      C-13-H3C(O)CH3
  456677.9218  0.0337 -6.3807 3  462.0025324  595161404403011 4    402714 4      C-13-H3C(O)CH3
  456683.0874  0.0623 -6.0198 3 1113.9454B44  595161404711854 0    711655 0      C-13-H3C(O)CH3
  456683.0874  0.0623 -5.2959 3 1113.9454B44  595161404711754 0    711655 0      C-13-H3C(O)CH3
  456683.0874  0.0623 -5.6462 3 1113.9454B44  595161404711854 0    711755 0      C-13-H3C(O)CH3
  456683.0874  0.0623 -5.4251 3 1113.9454B44  595161404711754 0    711755 0      C-13-H3C(O)CH3
  456683.7647  0.0302 -5.8427 3  721.6318792  5951614044940 9 2    4841 7 2      C-13-H3C(O)CH3
  456703.9609  0.1346 -6.4751 3  729.4241824  595161404513417 2    513121 2      C-13-H3C(O)CH3
  456744.7205  0.0256 -6.0562 3  462.0440648  595161404403011 0    402714 0      C-13-H3C(O)CH3
  456771.2074  0.0361 -6.1435 3  721.6483396  5951614044940 9 3    4841 7 3      C-13-H3C(O)CH3
  456777.6690  0.0444 -6.2162 3  576.7480728  595161404453213 1    452916 1      C-13-H3C(O)CH3
  456779.5967  0.0747 -5.2220 3 1113.9480B44  595161404711754 1    711655 1      C-13-H3C(O)CH3
  456779.5967  0.0747 -5.2220 3 1113.9480B44  595161404711854 1    711755 1      C-13-H3C(O)CH3
  456782.1678  0.0167 -6.4277 3  396.2186616  595161404382414 1    372512 1      C-13-H3C(O)CH3
  456782.7748  0.0753 -6.1494 3 1113.9480B44  595161404711854 2    711755 2      C-13-H3C(O)CH3
  456782.7748  0.0753 -5.2749 3 1113.9480B44  595161404711854 2    711655 2      C-13-H3C(O)CH3
  456782.7748  0.0753 -5.2206 3 1113.9480B44  595161404711754 2    711755 2      C-13-H3C(O)CH3
  456791.1378  0.0056 -4.6467 3   75.5894312  59516140419 613 2    18 514 2      C-13-H3C(O)CH3
  456791.2659  0.0056 -4.6467 3   75.5894312  59516140419 713 2    18 414 2      C-13-H3C(O)CH3
  456798.6185  0.0153 -4.0011 3  171.0882204 -5951614042518 7 3    2417 8 3      C-13-H3C(O)CH3
  456804.5511  0.0054 -4.6469 3   75.5901312  59516140419 613 1    18 514 1      C-13-H3C(O)CH3
  456804.6736  0.0054 -4.6469 3   75.5901312  59516140419 713 1    18 414 1      C-13-H3C(O)CH3
  456826.5252  0.0282 -6.1021 3  462.0271648  595161404403011 2    402714 2      C-13-H3C(O)CH3
  456838.2312  0.0386 -6.1442 3  721.6299396  595161404494010 3    4841 8 3      C-13-H3C(O)CH3
  456842.8241  0.0054 -4.5178 3  109.3988172  595161404211210 4    20 911 4      C-13-H3C(O)CH3
  456844.9618  0.0180 -5.6191 3  419.0482632  595161404392514 1    382612 1      C-13-H3C(O)CH3
  456849.6989  0.0040 -4.5178 3  109.3987172  595161404211210 3    20 911 3      C-13-H3C(O)CH3
  456857.1498  0.0305 -5.8418 3  721.6188792  595161404494010 2    4841 8 2      C-13-H3C(O)CH3
  456879.4141  0.0534 -5.6283 3 1113.9506572  595161404711854 3    711755 3      C-13-H3C(O)CH3
  456879.4141  0.0534 -6.1823 3 1113.9506572  595161404711854 3    711655 3      C-13-H3C(O)CH3
  456879.4141  0.0534 -5.6283 3 1113.9506572  595161404711754 3    711655 3      C-13-H3C(O)CH3
  456879.4141  0.0534 -6.1823 3 1113.9506572  595161404711754 3    711755 3      C-13-H3C(O)CH3
  456879.6129  0.0535 -5.5219 3 1113.9506572  595161404711854 4    711655 4      C-13-H3C(O)CH3
  456879.6129  0.0535 -5.5219 3 1113.9506572  595161404711754 4    711755 4      C-13-H3C(O)CH3
  456890.0595  0.0302 -6.4700 3  462.0182324  595161404403011 3    402714 3      C-13-H3C(O)CH3
  456940.6997  0.0028 -3.4844 3  171.1153408 -5951614042518 7 0    2417 8 0      C-13-H3C(O)CH3
  456977.2849  0.0029 -3.7418 3  335.2099324 -59516140440 832 4    39 931 4      C-13-H3C(O)CH3
  456977.2849  0.0029 -3.7420 3  335.2099324 -59516140440 932 3    39 931 3      C-13-H3C(O)CH3
  456977.2849  0.0029 -3.7418 3  335.2099324 -59516140440 932 4    39 831 4      C-13-H3C(O)CH3
  456977.2849  0.0029 -3.7420 3  335.2099324 -59516140440 832 3    39 831 3      C-13-H3C(O)CH3
  456977.3545  0.0029 -4.8329 3  335.2099324  59516140440 832 4    39 831 4      C-13-H3C(O)CH3
  456977.3545  0.0029 -4.8329 3  335.2099324  59516140440 932 4    39 931 4      C-13-H3C(O)CH3
  456977.4264  0.0029 -4.8307 3  335.2099324  59516140440 932 3    39 831 3      C-13-H3C(O)CH3
  456977.4264  0.0029 -4.8307 3  335.2099324  59516140440 832 3    39 931 3      C-13-H3C(O)CH3
  457010.1275  0.0392 -6.1432 3  721.6170396  595161404494010 4    4841 8 4      C-13-H3C(O)CH3
  457012.8012  0.0033 -4.7544 3  335.2283648  59516140440 832 1    39 831 1      C-13-H3C(O)CH3
  457012.8012  0.0033 -4.7544 3  335.2283648  59516140440 932 1    39 931 1      C-13-H3C(O)CH3
  457012.8070  0.0033 -3.4269 3  335.2283648 -59516140440 832 1    39 931 1      C-13-H3C(O)CH3
  457012.8070  0.0033 -3.4269 3  335.2283648 -59516140440 932 1    39 831 1      C-13-H3C(O)CH3
  457013.8234  0.0033 -3.4240 3  335.2276648  59516140440 932 2    39 931 2      C-13-H3C(O)CH3
  457013.8234  0.0033 -3.4240 3  335.2276648  59516140440 832 2    39 831 2      C-13-H3C(O)CH3
  457013.8285  0.0033 -4.8218 3  335.2276648 -59516140440 932 2    39 831 2      C-13-H3C(O)CH3
  457013.8285  0.0033 -4.8218 3  335.2276648 -59516140440 832 2    39 931 2      C-13-H3C(O)CH3
  457030.6306  0.0039 -4.2164 3  109.3797344  595161404211210 2    20 911 2      C-13-H3C(O)CH3
  457049.1398  0.0027 -3.9418 3  335.2460648  59516140440 832 0    39 831 0      C-13-H3C(O)CH3
  457049.1398  0.0027 -3.9418 3  335.2460648  59516140440 932 0    39 931 0      C-13-H3C(O)CH3
  457049.1791  0.0027 -3.5568 3  335.2460648 -59516140440 832 0    39 931 0      C-13-H3C(O)CH3
  457049.1791  0.0027 -3.5568 3  335.2460648 -59516140440 932 0    39 831 0      C-13-H3C(O)CH3
  457058.0266  0.0039 -4.2164 3  109.3825344  595161404211210 1    20 911 1      C-13-H3C(O)CH3
  457083.4506  0.0097 -3.9373 3  273.0063520  595161404321814 2    311913 2      C-13-H3C(O)CH3
  457090.0093  0.0208 -5.0266 3  522.7150696  595161404433014 2    423112 2      C-13-H3C(O)CH3
  457110.3844  0.0137 -6.5968 3   63.9324248  5951614041515 1 0    1412 2 0      C-13-H3C(O)CH3
  457124.1118  0.0137 -6.5968 3   63.9320248  5951614041515 0 0    1412 3 0      C-13-H3C(O)CH3
  457126.6310  0.0635 -6.5305 3  576.7412364  595161404453213 3    452916 3      C-13-H3C(O)CH3
  457153.4143  0.0054 -4.6457 3   75.5484312  59516140419 613 0    18 514 0      C-13-H3C(O)CH3
  457153.5429  0.0054 -4.6457 3   75.5484312  59516140419 713 0    18 414 0      C-13-H3C(O)CH3
  457164.3432  0.0131 -4.2367 3  272.9892260  595161404321814 3    311913 3      C-13-H3C(O)CH3
  457176.1749  0.0103 -4.2366 3  272.9891260  595161404321814 4    311913 4      C-13-H3C(O)CH3
  457180.5696  0.0231 -5.3272 3  522.6919348  595161404433014 4    423112 4      C-13-H3C(O)CH3
  457181.0776  0.0190 -5.0266 3  522.7238696  595161404433014 0    423111 0      C-13-H3C(O)CH3
  457212.8802  0.0435 -5.9519 3  650.6626776  595161404483316 0    483019 0      C-13-H3C(O)CH3
  457215.9873  0.0547 -6.1885 3  576.7512728  595161404453213 2    452916 2      C-13-H3C(O)CH3
  457216.1080  0.0450 -6.1949 3  650.6593776  595161404483316 1    483019 1      C-13-H3C(O)CH3
  457223.8008  0.0276 -5.0820 3  419.0144316  595161404392514 3    382613 3      C-13-H3C(O)CH3
  457230.7456  0.0215 -5.3326 3  522.7180348  595161404433014 3    423112 3      C-13-H3C(O)CH3
  457240.2425  0.0083 -3.9366 3  273.0279520  595161404321814 0    311913 0      C-13-H3C(O)CH3
  457241.8700  0.0041 -4.2159 3  109.3635344  595161404211210 0    20 911 0      C-13-H3C(O)CH3
  457242.3271  0.0557 -5.2745 3 1071.3249B28  595161404701754 0    701555 0      C-13-H3C(O)CH3
  457242.3271  0.0557 -5.4351 3 1071.3249B28  595161404701654 0    701655 0      C-13-H3C(O)CH3
  457242.3271  0.0557 -5.4793 3 1071.3249B28  595161404701754 0    701655 0      C-13-H3C(O)CH3
  457242.3271  0.0557 -5.7762 3 1071.3249B28  595161404701654 0    701555 0      C-13-H3C(O)CH3
  457255.6942  0.0190 -5.0264 3  522.7237696  595161404433013 0    423112 0      C-13-H3C(O)CH3
  457305.3743  0.0203 -5.0272 3  522.7009696  595161404433014 1    423112 1      C-13-H3C(O)CH3
  457321.8841  0.0101 -3.9350 3  273.0109520  595161404321814 1    311913 1      C-13-H3C(O)CH3
  457323.3090  0.0233 -4.8586 3  419.0297632  595161404392514 2    382613 2      C-13-H3C(O)CH3
  457331.1111  0.0146 -4.7006 3  419.0498632  595161404392514 0    382613 0      C-13-H3C(O)CH3
  457349.9578  0.0669 -5.8327 3 1071.3226B28  595161404701754 1    701655 1      C-13-H3C(O)CH3
  457349.9578  0.0669 -5.8327 3 1071.3226B28  595161404701654 1    701555 1      C-13-H3C(O)CH3
  457349.9578  0.0669 -5.2578 3 1071.3226B28  595161404701754 1    701555 1      C-13-H3C(O)CH3
  457349.9578  0.0669 -5.2578 3 1071.3226B28  595161404701654 1    701655 1      C-13-H3C(O)CH3
  457352.3216  0.0673 -5.3668 3 1071.3225B28  595161404701754 2    701655 2      C-13-H3C(O)CH3
  457352.3216  0.0673 -5.5693 3 1071.3225B28  595161404701754 2    701555 2      C-13-H3C(O)CH3
  457352.3216  0.0673 -5.5693 3 1071.3225B28  595161404701654 2    701655 2      C-13-H3C(O)CH3
  457352.3216  0.0673 -5.3668 3 1071.3225B28  595161404701654 2    701555 2      C-13-H3C(O)CH3
  457360.0063  0.1032 -6.5849 3 1655.0316668  595161404832855 4    832856 4      C-13-H3C(O)CH3
  457360.0063  0.1032 -6.5849 3 1655.0316668  595161404832955 4    832756 4      C-13-H3C(O)CH3
  457360.0452  0.1032 -6.4950 3 1655.0316668  595161404832955 3    832856 3      C-13-H3C(O)CH3
  457360.0452  0.1032 -6.4950 3 1655.0316668  595161404832855 3    832756 3      C-13-H3C(O)CH3
  457364.5264  0.0194 -5.0274 3  522.7269696  595161404433013 1    423111 1      C-13-H3C(O)CH3
  457395.5366  0.0186 -5.0265 3  522.7442696  595161404433013 2    423111 2      C-13-H3C(O)CH3
  457398.1658  0.1183 -6.3069 3 1655.0122D36  595161404832855 1    832856 1      C-13-H3C(O)CH3
  457398.1658  0.1183 -6.3069 3 1655.0122D36  595161404832955 1    832756 1      C-13-H3C(O)CH3
  457401.6739  0.1161 -6.1596 3 1655.0154D36  595161404832955 2    832756 2      C-13-H3C(O)CH3
  457401.6739  0.1161 -6.1596 3 1655.0154D36  595161404832855 2    832856 2      C-13-H3C(O)CH3
  457416.0599  0.0640 -6.4913 3  650.6543388  595161404483316 4    483019 4      C-13-H3C(O)CH3
  457416.5788  0.0576 -6.1969 3  650.6590776  595161404483316 2    483019 2      C-13-H3C(O)CH3
  457439.7874  0.1287 -6.1451 3 1654.9960D36  595161404832955 0    832856 0      C-13-H3C(O)CH3
  457439.7874  0.1287 -6.1451 3 1654.9960D36  595161404832855 0    832756 0      C-13-H3C(O)CH3
  457460.0887  0.0499 -5.6333 3 1071.3202564  595161404701754 3    701555 3      C-13-H3C(O)CH3
  457460.0887  0.0499 -5.6333 3 1071.3202564  595161404701654 3    701655 3      C-13-H3C(O)CH3
  457460.0887  0.0499 -5.9309 3 1071.3202564  595161404701654 3    701555 3      C-13-H3C(O)CH3
  457460.0887  0.0499 -5.9309 3 1071.3202564  595161404701754 3    701655 3      C-13-H3C(O)CH3
  457460.2946  0.0500 -5.6153 3 1071.3202564  595161404701654 4    701555 4      C-13-H3C(O)CH3
  457460.2946  0.0500 -5.9690 3 1071.3202564  595161404701754 4    701555 4      C-13-H3C(O)CH3
  457460.2946  0.0500 -5.6153 3 1071.3202564  595161404701754 4    701655 4      C-13-H3C(O)CH3
  457460.2946  0.0500 -5.9690 3 1071.3202564  595161404701654 4    701655 4      C-13-H3C(O)CH3
  457475.7979  0.0156 -4.7563 3  419.0271632  595161404392514 1    382613 1      C-13-H3C(O)CH3
  457483.8332  0.0165 -4.1895 3  171.0954408 -5951614042518 7 2    2417 8 2      C-13-H3C(O)CH3
  457485.6241  0.0188 -5.3323 3  522.7212348  595161404433013 3    423111 3      C-13-H3C(O)CH3
  457516.7064  0.0851 -6.3669 3  900.1205936  595161404583128 0    573225 0      C-13-H3C(O)CH3
  457537.3187  0.0195 -5.3274 3  522.7473348  595161404433013 4    423111 4      C-13-H3C(O)CH3
  457572.8460  0.0216 -4.6902 3  396.1846616  595161404382414 2    372513 2      C-13-H3C(O)CH3
  457599.9650  0.0269 -5.2163 3  419.0033316  595161404392514 4    382613 4      C-13-H3C(O)CH3
  457601.2116  0.0270 -4.9646 3  396.1650308  595161404382414 3    372513 3      C-13-H3C(O)CH3
  457671.9561  0.0240 -6.1310 3  374.0903600  595161404372314 2    362412 2      C-13-H3C(O)CH3
  457762.4668  0.0244 -5.0174 3  396.1599308  595161404382414 4    372513 4      C-13-H3C(O)CH3
  457763.3993  0.0566 -6.4429 3  576.7495364  595161404453213 4    452916 4      C-13-H3C(O)CH3
  457772.8307  0.0284 -6.3092 3  374.0688300  595161404372314 4    362412 4      C-13-H3C(O)CH3
  457779.2321  0.0151 -4.6364 3  396.2038616  595161404382414 0    372513 0      C-13-H3C(O)CH3
  457779.7077  0.0812 -6.3646 3  900.1184936  595161404583128 1    573225 1      C-13-H3C(O)CH3
  457784.6517  0.0487 -5.1014 3 1029.2837B12  595161404691654 0    691555 0      C-13-H3C(O)CH3
  457784.6517  0.0487 -5.1014 3 1029.2837B12  595161404691554 0    691455 0      C-13-H3C(O)CH3
  457794.3743  0.1185 -6.3641 3  900.1187936  595161404583128 2    573225 2      C-13-H3C(O)CH3
  457799.3135  0.0157 -4.4057 3  171.0847408 -5951614042518 7 1    2417 8 1      C-13-H3C(O)CH3
  457813.4565  0.0273 -6.6082 3  374.0677300  595161404372314 3    362412 3      C-13-H3C(O)CH3
  457884.1548  0.0072 -5.5812 3   56.2679148  59516140418 415 3    17 116 3      C-13-H3C(O)CH3
  457884.1548  0.0072 -5.5813 3   56.2679148  59516140418 315 3    17 216 3      C-13-H3C(O)CH3
  457884.5744  0.0088 -5.5813 3   56.2680148  59516140418 315 4    17 216 4      C-13-H3C(O)CH3
  457884.5744  0.0088 -5.5823 3   56.2680148  59516140418 415 4    17 116 4      C-13-H3C(O)CH3
  457892.8833  0.0160 -4.6431 3  396.1815616  595161404382414 1    372513 1      C-13-H3C(O)CH3
  457900.4271  0.0583 -5.3884 3 1029.2763B12  595161404691554 1    691555 1      C-13-H3C(O)CH3
  457900.4271  0.0583 -5.3997 3 1029.2763B12  595161404691654 1    691555 1      C-13-H3C(O)CH3
  457900.4271  0.0583 -5.0980 3 1029.2763B12  595161404691554 1    691455 1      C-13-H3C(O)CH3
  457902.0331  0.0584 -6.0581 3 1029.2762B12  595161404691654 2    691455 2      C-13-H3C(O)CH3
  457902.0331  0.0584 -5.1428 3 1029.2762B12  595161404691554 2    691455 2      C-13-H3C(O)CH3
  457902.0331  0.0584 -5.1428 3 1029.2762B12  595161404691654 2    691555 2      C-13-H3C(O)CH3
  457902.0331  0.0584 -6.0581 3 1029.2762B12  595161404691554 2    691555 2      C-13-H3C(O)CH3
  457989.2070  0.0030 -5.5899 3  180.9682212  5951614042617 9 4    2516 9 4      C-13-H3C(O)CH3
  458017.9481  0.0465 -5.3994 3 1029.2687556  595161404691654 3    691555 3      C-13-H3C(O)CH3
  458017.9481  0.0465 -5.3994 3 1029.2687556  595161404691554 3    691455 3      C-13-H3C(O)CH3
  458018.1511  0.0465 -5.7590 3 1029.2687556  595161404691554 4    691555 4      C-13-H3C(O)CH3
  458018.1511  0.0465 -5.7590 3 1029.2687556  595161404691654 4    691455 4      C-13-H3C(O)CH3
  458018.1511  0.0465 -5.6388 3 1029.2687556  595161404691654 4    691555 4      C-13-H3C(O)CH3
  458018.1511  0.0465 -5.6388 3 1029.2687556  595161404691554 4    691455 4      C-13-H3C(O)CH3
  458041.3215  0.0029 -5.6050 3  341.2857332  59516140441 734 4    40 833 4      C-13-H3C(O)CH3
  458041.3215  0.0029 -5.6050 3  341.2857332  59516140441 834 4    40 733 4      C-13-H3C(O)CH3
  458041.3841  0.0028 -5.1001 3  341.2857332  59516140441 734 3    40 833 3      C-13-H3C(O)CH3
  458041.3841  0.0028 -5.1001 3  341.2857332  59516140441 834 3    40 733 3      C-13-H3C(O)CH3
  458041.4120  0.0029 -3.6932 3  341.2857332 -59516140441 734 4    40 733 4      C-13-H3C(O)CH3
  458041.4120  0.0028 -3.7051 3  341.2857332 -59516140441 734 3    40 733 3      C-13-H3C(O)CH3
  458041.4120  0.0028 -3.7051 3  341.2857332 -59516140441 834 3    40 833 3      C-13-H3C(O)CH3
  458041.4120  0.0029 -3.6932 3  341.2857332 -59516140441 834 4    40 833 4      C-13-H3C(O)CH3
  458077.9697  0.0033 -3.4165 3  341.3011664 -59516140441 834 1    40 733 1      C-13-H3C(O)CH3
  458077.9697  0.0033 -4.5676 3  341.3011664 -59516140441 734 1    40 733 1      C-13-H3C(O)CH3
  458077.9706  0.0033 -4.5676 3  341.3011664  59516140441 834 1    40 833 1      C-13-H3C(O)CH3
  458077.9706  0.0033 -3.4165 3  341.3011664  59516140441 734 1    40 833 1      C-13-H3C(O)CH3
  458078.7267  0.0033 -3.4389 3  341.3004664  59516140441 834 2    40 833 2      C-13-H3C(O)CH3
  458078.7267  0.0033 -4.3342 3  341.3004664  59516140441 734 2    40 833 2      C-13-H3C(O)CH3
  458078.7430  0.0033 -4.3342 3  341.3004664 -59516140441 834 2    40 733 2      C-13-H3C(O)CH3
  458078.7430  0.0033 -3.4389 3  341.3004664 -59516140441 734 2    40 733 2      C-13-H3C(O)CH3
  458094.8976  0.0036 -5.6841 3  180.9736424  5951614042617 9 1    2516 9 1      C-13-H3C(O)CH3
  458108.1591  0.0210 -5.2439 3  582.5678728  595161404453313 0    443410 0      C-13-H3C(O)CH3
  458109.3009  0.0210 -5.2439 3  582.5678728  595161404453312 0    443411 0      C-13-H3C(O)CH3
  458115.2220  0.0026 -3.4843 3  341.3157664 -59516140441 734 0    40 833 0      C-13-H3C(O)CH3
  458115.2220  0.0026 -4.0840 3  341.3157664 -59516140441 834 0    40 833 0      C-13-H3C(O)CH3
  458115.2515  0.0026 -4.2732 3  341.3157664  59516140441 734 0    40 733 0      C-13-H3C(O)CH3
  458115.2515  0.0026 -3.4473 3  341.3157664  59516140441 834 0    40 733 0      C-13-H3C(O)CH3
  458160.3566  0.0217 -5.2433 3  582.5682728  595161404453313 2    443411 2      C-13-H3C(O)CH3
  458176.1422  0.0290 -5.2934 3  442.5729324  595161404402614 4    392712 4      C-13-H3C(O)CH3
  458186.3427  0.0035 -6.1381 3  180.9652424  5951614042617 9 2    2516 9 2      C-13-H3C(O)CH3
  458194.1358  0.7161 -6.4328 3 1109.3515A16  595161404634122 0    633825 0      C-13-H3C(O)CH3
  458206.5792  0.0586 -6.3211 3  650.6593776  595161404483315 1    483019 1      C-13-H3C(O)CH3
  458209.2415  0.0954 -6.5258 3 1605.5079660  595161404822755 4    822756 4      C-13-H3C(O)CH3
  458209.2415  0.0954 -6.5258 3 1605.5079660  595161404822855 4    822656 4      C-13-H3C(O)CH3
  458209.2642  0.0954 -6.4440 3 1605.5078660  595161404822755 3    822756 3      C-13-H3C(O)CH3
  458209.2642  0.0954 -6.4440 3 1605.5078660  595161404822855 3    822656 3      C-13-H3C(O)CH3
  458240.1351  0.1045 -6.1774 3 1605.4868D20  595161404822755 1    822656 1      C-13-H3C(O)CH3
  458240.1351  0.1045 -6.1774 3 1605.4868D20  595161404822855 1    822756 1      C-13-H3C(O)CH3
  458242.6356  0.0727 -6.0184 3  754.4341856  595161404532925 0    523022 0      C-13-H3C(O)CH3
  458243.9026  0.0228 -5.2441 3  582.5796728  595161404453312 1    443410 1      C-13-H3C(O)CH3
  458244.8942  0.1049 -6.4806 3 1605.4897D20  595161404822755 2    822656 2      C-13-H3C(O)CH3
  458244.8942  0.1049 -6.2565 3 1605.4897D20  595161404822755 2    822756 2      C-13-H3C(O)CH3
  458244.8942  0.1049 -6.2565 3 1605.4897D20  595161404822855 2    822656 2      C-13-H3C(O)CH3
  458244.8942  0.1049 -6.4806 3 1605.4897D20  595161404822855 2    822756 2      C-13-H3C(O)CH3
  458259.2286  0.0112 -5.9137 3  361.1667600  595161404371918 2    371621 2      C-13-H3C(O)CH3
  458266.2828  0.0214 -5.2437 3  582.5505728  595161404453313 1    443411 1      C-13-H3C(O)CH3
  458271.7063  0.0096 -5.9131 3  361.1952600  595161404371918 0    371621 0      C-13-H3C(O)CH3
  458275.7707  0.1140 -6.0722 3 1605.4688D20  595161404822855 0    822656 0      C-13-H3C(O)CH3
  458275.7707  0.1140 -6.0722 3 1605.4688D20  595161404822755 0    822756 0      C-13-H3C(O)CH3
  458285.2471  0.0271 -5.0632 3  442.5832648  595161404402614 2    392712 2      C-13-H3C(O)CH3
  458293.6922  0.0246 -5.5446 3  582.5800364  595161404453313 3    443410 3      C-13-H3C(O)CH3
  458294.1082  0.0085 -6.6178 3  206.0863236  595161404291217 4    29 920 4      C-13-H3C(O)CH3
  458294.3826  0.0071 -6.6178 3  206.0863236  595161404291217 3    29 920 3      C-13-H3C(O)CH3
  458294.8581  0.0085 -6.6178 3  206.0863236  595161404291317 4    291020 4      C-13-H3C(O)CH3
  458295.1366  0.0071 -6.6178 3  206.0863236  595161404291317 3    291020 3      C-13-H3C(O)CH3
  458309.8429  0.0724 -6.4365 3  650.6572388  595161404483316 3    483019 3      C-13-H3C(O)CH3
  458312.0166  0.0416 -5.9390 3  987.8226A96  595161404681554 0    681455 0      C-13-H3C(O)CH3
  458312.0166  0.0416 -5.0918 3  987.8226A96  595161404681454 0    681455 0      C-13-H3C(O)CH3
  458312.0166  0.0416 -5.0918 3  987.8226A96  595161404681554 0    681355 0      C-13-H3C(O)CH3
  458312.0166  0.0416 -5.9390 3  987.8226A96  595161404681454 0    681355 0      C-13-H3C(O)CH3
  458317.4090  0.0232 -5.5443 3  582.5507364  595161404453313 4    443411 4      C-13-H3C(O)CH3
  458319.1569  0.0119 -6.2144 3  361.1409300  595161404371918 3    371621 3      C-13-H3C(O)CH3
  458319.7537  0.0119 -6.2144 3  361.1408300  595161404371918 4    371621 4      C-13-H3C(O)CH3
  458321.5045  0.1822 -6.3258 3  769.7068428  595161404533122 3    532825 3      C-13-H3C(O)CH3
  458331.4004  0.0107 -5.9130 3  361.1694600  595161404371918 1    371621 1      C-13-H3C(O)CH3
  458331.6909  0.1823 -6.3259 3  769.7068428  595161404533122 4    532825 4      C-13-H3C(O)CH3
  458353.3400  0.0092 -5.2787 3   56.2045296  59516140418 315 2    17 216 2      C-13-H3C(O)CH3
  458353.3400  0.0092 -5.2787 3   56.2045296  59516140418 415 2    17 116 2      C-13-H3C(O)CH3
  458357.2381  0.0092 -5.2789 3   56.2050296  59516140418 315 1    17 216 1      C-13-H3C(O)CH3
  458357.2381  0.0092 -5.2789 3   56.2050296  59516140418 415 1    17 116 1      C-13-H3C(O)CH3
  458392.2536  0.0228 -5.2436 3  582.5910728  595161404453312 2    443410 2      C-13-H3C(O)CH3
  458431.9621  0.0495 -6.0629 3  987.8099A96  595161404681554 1    681455 1      C-13-H3C(O)CH3
  458431.9621  0.0495 -5.0764 3  987.8099A96  595161404681454 1    681455 1      C-13-H3C(O)CH3
  458431.9621  0.0495 -5.0764 3  987.8099A96  595161404681554 1    681355 1      C-13-H3C(O)CH3
  458431.9621  0.0495 -6.0629 3  987.8099A96  595161404681454 1    681355 1      C-13-H3C(O)CH3
  458432.9086  0.0494 -5.1894 3  987.8098A96  595161404681554 2    681355 2      C-13-H3C(O)CH3
  458432.9086  0.0494 -5.5549 3  987.8098A96  595161404681454 2    681355 2      C-13-H3C(O)CH3
  458432.9086  0.0494 -5.1894 3  987.8098A96  595161404681454 2    681455 2      C-13-H3C(O)CH3
  458432.9086  0.0494 -5.5549 3  987.8098A96  595161404681554 2    681455 2      C-13-H3C(O)CH3
  458466.2553  0.0120 -6.3517 3  414.7810632  595161404392416 2    382514 2      C-13-H3C(O)CH3
  458486.3261  0.0513 -5.7603 3  466.7759332  595161404412715 4    402812 4      C-13-H3C(O)CH3
  458496.8780  0.0070 -6.3161 3  206.0914472  595161404291217 2    29 920 2      C-13-H3C(O)CH3
  458497.6457  0.0070 -6.3161 3  206.0914472  595161404291317 2    291020 2      C-13-H3C(O)CH3
  458519.9898  0.0131 -6.3935 3  414.7594316  595161404392416 4    382514 4      C-13-H3C(O)CH3
  458526.6816  0.0278 -5.5449 3  582.6027364  595161404453312 4    443410 4      C-13-H3C(O)CH3
  458533.1685  0.0071 -6.3151 3  206.0929472  595161404291217 1    29 920 1      C-13-H3C(O)CH3
  458533.8999  0.0071 -6.3151 3  206.0929472  595161404291317 1    291020 1      C-13-H3C(O)CH3
  458540.1417  0.0298 -5.5422 3  442.5566324  595161404402614 3    392712 3      C-13-H3C(O)CH3
  458548.1059  0.0235 -5.5446 3  582.5736364  595161404453312 3    443411 3      C-13-H3C(O)CH3
  458552.9929  0.0430 -5.3398 3  987.7971548  595161404681554 3    681355 3      C-13-H3C(O)CH3
  458552.9929  0.0430 -5.3398 3  987.7971548  595161404681454 3    681455 3      C-13-H3C(O)CH3
  458553.1801  0.0431 -5.6443 3  987.7971548  595161404681554 4    681455 4      C-13-H3C(O)CH3
  458553.1801  0.0431 -5.6269 3  987.7971548  595161404681554 4    681355 4      C-13-H3C(O)CH3
  458553.1801  0.0431 -5.6443 3  987.7971548  595161404681454 4    681355 4      C-13-H3C(O)CH3
  458553.1801  0.0431 -5.6269 3  987.7971548  595161404681454 4    681455 4      C-13-H3C(O)CH3
  458555.8885  0.0278 -5.6509 3  683.2520776  595161404483811 0    4739 8 0      C-13-H3C(O)CH3
  458555.8887  0.0278 -5.6509 3  683.2520776  595161404483810 0    4739 9 0      C-13-H3C(O)CH3
  458559.5522  0.0294 -5.6515 3  683.2763776  595161404483810 1    4739 8 1      C-13-H3C(O)CH3
  458587.6460  0.0111 -5.9132 3  361.1667600  595161404372018 2    371721 2      C-13-H3C(O)CH3
  458589.8037  0.0096 -5.9127 3  361.1952600  595161404372018 0    371721 0      C-13-H3C(O)CH3
  458648.7166  0.0117 -6.2139 3  361.1408300  595161404372018 4    371721 4      C-13-H3C(O)CH3
  458648.7209  0.0116 -6.2139 3  361.1409300  595161404372018 3    371721 3      C-13-H3C(O)CH3
  458650.5300  0.0106 -5.9126 3  361.1694600  595161404372018 1    371721 1      C-13-H3C(O)CH3
  458662.1151  0.0655 -6.0155 3  754.4178856  595161404532925 1    523022 1      C-13-H3C(O)CH3
  458702.4436  0.0886 -6.3214 3  650.6590776  595161404483315 2    483019 2      C-13-H3C(O)CH3
  458706.9225  0.0249 -5.1313 3  171.0570204  5951614042518 7 4    2417 8 4      C-13-H3C(O)CH3
  458735.3033  0.0067 -6.3139 3  206.0981472  595161404291217 0    29 920 0      C-13-H3C(O)CH3
  458736.0488  0.0067 -6.3139 3  206.0981472  595161404291317 0    291020 0      C-13-H3C(O)CH3
  458745.8876  0.0200 -5.2139 3  442.5654648  595161404402614 1    392712 1      C-13-H3C(O)CH3
  458747.1332  0.0301 -5.6511 3  683.2455776  595161404483811 1    4739 9 1      C-13-H3C(O)CH3
  458793.9998  0.1151 -6.0141 3  754.4125856  595161404532925 2    523022 2      C-13-H3C(O)CH3
  458819.0635  0.0284 -5.6513 3  683.2716776  595161404483810 2    4739 8 2      C-13-H3C(O)CH3
  458824.3321  0.0351 -5.9529 3  683.2958388  595161404483810 4    4739 8 4      C-13-H3C(O)CH3
  458825.3397  0.0091 -5.2778 3   56.1418296  59516140418 415 0    17 116 0      C-13-H3C(O)CH3
  458825.3397  0.0091 -5.2779 3   56.1418296  59516140418 315 0    17 216 0      C-13-H3C(O)CH3
  458826.5043  0.0347 -4.9793 3  946.9421A80  595161404671454 0    671355 0      C-13-H3C(O)CH3
  458826.5043  0.0347 -4.9793 3  946.9421A80  595161404671354 0    671255 0      C-13-H3C(O)CH3
  458828.2476  0.1861 -6.0260 3  769.7095856  595161404533122 2    532825 2      C-13-H3C(O)CH3
  458854.9933  0.0281 -5.6505 3  683.2583776  595161404483811 2    4739 9 2      C-13-H3C(O)CH3
  458858.6880  0.0336 -5.9521 3  683.2826388  595161404483810 3    4739 8 3      C-13-H3C(O)CH3
  458903.2882  0.0076 -5.6057 3   80.6743148  5951614041812 6 3    17 9 9 3      C-13-H3C(O)CH3
  458907.8254  0.0403 -5.2995 3  466.7818664  595161404412715 2    402812 2      C-13-H3C(O)CH3
  458945.5389  0.0412 -6.4729 3  946.9244A80  595161404671354 1    671255 1      C-13-H3C(O)CH3
  458945.5389  0.0412 -4.9920 3  946.9244A80  595161404671354 1    671355 1      C-13-H3C(O)CH3
  458945.5389  0.0412 -4.9920 3  946.9244A80  595161404671454 1    671255 1      C-13-H3C(O)CH3
  458945.5389  0.0412 -6.4729 3  946.9244A80  595161404671454 1    671355 1      C-13-H3C(O)CH3
  458945.9590  0.0409 -4.9794 3  946.9242A80  595161404671354 2    671355 2      C-13-H3C(O)CH3
  458945.9590  0.0409 -6.1596 3  946.9242A80  595161404671454 2    671355 2      C-13-H3C(O)CH3
  458945.9590  0.0409 -5.0075 3  946.9242A80  595161404671454 2    671255 2      C-13-H3C(O)CH3
  458964.3799  0.1094 -6.0259 3  769.7105856  595161404533122 1    532825 1      C-13-H3C(O)CH3
  459010.5263  0.0345 -5.9525 3  683.2651388  595161404483811 3    4739 9 3      C-13-H3C(O)CH3
  459030.5809  0.0892 -6.2959 3 1556.5513652  595161404812655 4    812656 4      C-13-H3C(O)CH3
  459030.5809  0.0892 -6.2959 3 1556.5513652  595161404812755 4    812556 4      C-13-H3C(O)CH3
  459030.5852  0.0892 -6.2844 3 1556.5512652  595161404812655 3    812556 3      C-13-H3C(O)CH3
  459030.5852  0.0892 -6.2844 3 1556.5512652  595161404812755 3    812656 3      C-13-H3C(O)CH3
  459035.2011  0.0304 -5.2316 3  442.5401324  595161404402614 3    392713 3      C-13-H3C(O)CH3
  459045.1609  0.0336 -5.9517 3  683.2517388  595161404483811 4    4739 9 4      C-13-H3C(O)CH3
  459052.6917  0.0963 -6.0694 3 1556.5292D04  595161404812655 1    812556 1      C-13-H3C(O)CH3
  459052.6917  0.0963 -6.0694 3 1556.5292D04  595161404812755 1    812656 1      C-13-H3C(O)CH3
  459057.1438  0.0151 -4.7578 3  442.5709648  595161404402614 0    392713 0      C-13-H3C(O)CH3
  459058.4226  0.0985 -5.9853 3 1556.5317D04  595161404812655 2    812656 2      C-13-H3C(O)CH3
  459058.4226  0.0985 -5.9853 3 1556.5317D04  595161404812755 2    812556 2      C-13-H3C(O)CH3
  459065.1271  0.0397 -5.2788 3  946.9065540  595161404671454 3    671255 3      C-13-H3C(O)CH3
  459065.1271  0.0397 -5.2788 3  946.9065540  595161404671354 3    671355 3      C-13-H3C(O)CH3
  459065.2824  0.0397 -6.1419 3  946.9064540  595161404671354 4    671355 4      C-13-H3C(O)CH3
  459065.2824  0.0397 -5.3426 3  946.9064540  595161404671354 4    671255 4      C-13-H3C(O)CH3
  459065.2824  0.0397 -5.3426 3  946.9064540  595161404671454 4    671355 4      C-13-H3C(O)CH3
  459065.2824  0.0397 -6.1419 3  946.9064540  595161404671454 4    671255 4      C-13-H3C(O)CH3
  459080.5476  0.1034 -5.9660 3 1556.5097D04  595161404812755 0    812556 0      C-13-H3C(O)CH3
  459080.5476  0.1034 -5.9660 3 1556.5097D04  595161404812655 0    812656 0      C-13-H3C(O)CH3
  459085.4950  0.0231 -6.5325 3  327.5250536  5951614043328 6 1    3325 8 1      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.9936 3  346.8165340 -59516140442 636 3    41 635 3      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.7595 3  346.8166340 -59516140442 736 4    41 635 4      C-13-H3C(O)CH3
  459120.2854  0.0028 -4.3930 3  346.8166340 -59516140442 736 4    41 735 4      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.9471 3  346.8165340 -59516140442 736 3    41 635 3      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.9471 3  346.8165340 -59516140442 636 3    41 735 3      C-13-H3C(O)CH3
  459120.2854  0.0028 -4.3930 3  346.8166340 -59516140442 636 4    41 635 4      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.9936 3  346.8165340 -59516140442 736 3    41 735 3      C-13-H3C(O)CH3
  459120.2854  0.0028 -3.7595 3  346.8166340 -59516140442 636 4    41 735 4      C-13-H3C(O)CH3
  459157.7785  0.0033 -3.7807 3  346.8276680  59516140442 736 1    41 735 1      C-13-H3C(O)CH3
  459157.7785  0.0033 -3.7807 3  346.8276680  59516140442 636 1    41 635 1      C-13-H3C(O)CH3
  459157.8598  0.0033 -3.5797 3  346.8276680 -59516140442 636 1    41 735 1      C-13-H3C(O)CH3
  459157.8598  0.0033 -3.5797 3  346.8276680 -59516140442 736 1    41 635 1      C-13-H3C(O)CH3
  459158.3252  0.0032 -4.2067 3  346.8270680  59516140442 636 2    41 735 2      C-13-H3C(O)CH3
  459158.3252  0.0032 -3.4357 3  346.8270680  59516140442 736 2    41 735 2      C-13-H3C(O)CH3
  459158.4722  0.0032 -4.2067 3  346.8270680 -59516140442 736 2    41 635 2      C-13-H3C(O)CH3
  459158.4722  0.0032 -3.4357 3  346.8270680 -59516140442 636 2    41 635 2      C-13-H3C(O)CH3
  459159.4957  0.0075 -5.6223 3   80.6743148  5951614041812 6 4    17 9 9 4      C-13-H3C(O)CH3
  459159.5944  0.0110 -4.9605 3  454.4680664  595161404412418 1    402515 1      C-13-H3C(O)CH3
  459176.1857  0.0047 -4.0687 3  269.7093260  595161404321715 3    311814 3      C-13-H3C(O)CH3
  459177.7481  0.0063 -5.3029 3   80.6437296  5951614041812 6 2    17 9 9 2      C-13-H3C(O)CH3
  459179.9497  0.0038 -4.0687 3  269.7093260  595161404321715 4    311814 4      C-13-H3C(O)CH3
  459195.7070  0.0026 -3.4834 3  346.8380680 -59516140442 736 0    41 635 0      C-13-H3C(O)CH3
  459195.7070  0.0026 -3.9985 3  346.8380680 -59516140442 636 0    41 635 0      C-13-H3C(O)CH3
  459195.7243  0.0026 -3.9985 3  346.8380680  59516140442 736 0    41 735 0      C-13-H3C(O)CH3
  459195.7243  0.0026 -3.4834 3  346.8380680  59516140442 636 0    41 735 0      C-13-H3C(O)CH3
  459208.9975  0.0095 -4.9607 3  454.4864664  595161404412418 0    402515 0      C-13-H3C(O)CH3
  459213.0232  0.1113 -6.3122 3  754.3961428  595161404532925 4    523022 4      C-13-H3C(O)CH3
  459213.6239  0.0040 -3.7683 3  269.7260520 -595161404321715 2    311814 2      C-13-H3C(O)CH3
  459220.6299  0.1108 -6.3122 3  754.3959428  595161404532925 3    523022 3      C-13-H3C(O)CH3
  459226.6638  0.0123 -5.2579 3  454.4403332  595161404412418 4    402515 4      C-13-H3C(O)CH3
  459236.3221  0.0059 -5.3069 3   80.6461296  5951614041812 6 1    17 9 9 1      C-13-H3C(O)CH3
  459247.1016  0.0146 -5.2573 3  454.4398332  595161404412418 3    402515 3      C-13-H3C(O)CH3
  459258.9478  0.0040 -3.7675 3  269.7318520 -595161404321715 1    311814 1      C-13-H3C(O)CH3
  459261.2624  0.0263 -5.0546 3  442.5506648  595161404402614 2    392713 2      C-13-H3C(O)CH3
  459271.2497  0.0232 -6.5319 3  327.5383536  5951614043328 5 2    3325 8 2      C-13-H3C(O)CH3
  459287.1502  0.0119 -4.9567 3  454.4585664  595161404412418 2    402515 2      C-13-H3C(O)CH3
  459296.0176  0.0035 -3.7681 3  269.7485520 -595161404321715 0    311814 0      C-13-H3C(O)CH3
  459297.7019  0.0221 -6.5363 3  327.5368536  5951614043328 6 2    3325 9 2      C-13-H3C(O)CH3
  459299.0260  0.0181 -4.9447 3  442.5469648  595161404402614 1    392713 1      C-13-H3C(O)CH3
  459330.3258  0.0284 -5.3537 3  906.6429A64  595161404661254 0    661155 0      C-13-H3C(O)CH3
  459330.3258  0.0284 -5.1293 3  906.6429A64  595161404661254 0    661255 0      C-13-H3C(O)CH3
  459330.3258  0.0284 -5.3537 3  906.6429A64  595161404661354 0    661255 0      C-13-H3C(O)CH3
  459330.3258  0.0284 -5.1293 3  906.6429A64  595161404661354 0    661155 0      C-13-H3C(O)CH3
  459379.8951  0.0054 -5.2963 3   80.6156296  5951614041812 6 0    17 9 9 0      C-13-H3C(O)CH3
  459383.9940  0.0376 -5.4053 3  466.7557332  595161404412715 3    402812 3      C-13-H3C(O)CH3
  459406.0156  0.0251 -5.1638 3  466.7631664  595161404412715 1    402812 1      C-13-H3C(O)CH3
  459442.1551  0.0345 -4.9262 3  906.6205A64  595161404661354 1    661155 1      C-13-H3C(O)CH3
  459442.1551  0.0345 -4.9262 3  906.6205A64  595161404661254 1    661255 1      C-13-H3C(O)CH3
  459442.2074  0.0340 -5.7438 3  906.6203A64  595161404661254 2    661155 2      C-13-H3C(O)CH3
  459442.2074  0.0340 -4.9975 3  906.6203A64  595161404661254 2    661255 2      C-13-H3C(O)CH3
  459442.2074  0.0340 -4.9975 3  906.6203A64  595161404661354 2    661155 2      C-13-H3C(O)CH3
  459442.2074  0.0340 -5.7438 3  906.6203A64  595161404661354 2    661255 2      C-13-H3C(O)CH3
  459464.6888  0.1162 -6.0271 3  769.7132856  595161404533122 0    532825 0      C-13-H3C(O)CH3
  459554.1591  0.0364 -5.2641 3  906.5978532  595161404661354 3    661155 3      C-13-H3C(O)CH3
  459554.1591  0.0364 -5.2641 3  906.5978532  595161404661254 3    661255 3      C-13-H3C(O)CH3
  459554.1591  0.0364 -6.3084 3  906.5978532  595161404661354 3    661255 3      C-13-H3C(O)CH3
  459554.1591  0.0364 -6.3084 3  906.5978532  595161404661254 3    661155 3      C-13-H3C(O)CH3
  459554.2639  0.0364 -5.2610 3  906.5978532  595161404661354 4    661155 4      C-13-H3C(O)CH3
  459554.2639  0.0364 -6.3438 3  906.5978532  595161404661254 4    661155 4      C-13-H3C(O)CH3
  459554.2639  0.0364 -6.3438 3  906.5978532  595161404661354 4    661255 4      C-13-H3C(O)CH3
  459554.2639  0.0364 -5.2610 3  906.5978532  595161404661254 4    661255 4      C-13-H3C(O)CH3
  459578.3760  0.0236 -6.5303 3  327.5206536  5951614043328 5 1    3325 9 1      C-13-H3C(O)CH3
  459648.0385  0.0311 -5.4387 3  442.5238324  595161404402614 4    392713 4      C-13-H3C(O)CH3
  459651.1974  0.0153 -4.8188 3  466.7703664  595161404412715 0    402812 0      C-13-H3C(O)CH3
  459665.8780  1.0388 -6.4558 3 1109.3415A16  595161404634122 2    633825 2      C-13-H3C(O)CH3
  459666.4689  0.0232 -6.5340 3  327.5595536  5951614043328 5 0    3325 8 0      C-13-H3C(O)CH3
  459669.2932  0.0232 -6.5340 3  327.5594536  5951614043328 6 0    3325 9 0      C-13-H3C(O)CH3
  459781.4602  0.0253 -5.4365 3  466.7424332  595161404412715 3    402813 3      C-13-H3C(O)CH3
  459824.9405  0.0843 -6.1938 3 1508.1629644  595161404802555 3    802456 3      C-13-H3C(O)CH3
  459824.9405  0.0843 -6.1938 3 1508.1629644  595161404802655 3    802556 3      C-13-H3C(O)CH3
  459824.9566  0.0843 -6.2206 3 1508.1630644  595161404802555 4    802456 4      C-13-H3C(O)CH3
  459824.9566  0.0843 -6.2206 3 1508.1630644  595161404802655 4    802556 4      C-13-H3C(O)CH3
  459825.8192  0.0232 -4.8817 3  866.9254A48  595161404651254 0    651055 0      C-13-H3C(O)CH3
  459825.8192  0.0232 -4.8817 3  866.9254A48  595161404651154 0    651155 0      C-13-H3C(O)CH3
  459836.8081  0.0933 -6.2066 3 1508.1403C88  595161404802655 1    802556 1      C-13-H3C(O)CH3
  459836.8081  0.0933 -6.1546 3 1508.1403C88  595161404802655 1    802456 1      C-13-H3C(O)CH3
  459836.8081  0.0933 -6.1546 3 1508.1403C88  595161404802555 1    802556 1      C-13-H3C(O)CH3
  459836.8081  0.0933 -6.2066 3 1508.1403C88  595161404802555 1    802456 1      C-13-H3C(O)CH3
  459843.2208  0.0962 -5.8929 3 1508.1425C88  595161404802655 2    802456 2      C-13-H3C(O)CH3
  459843.2208  0.0962 -5.8929 3 1508.1425C88  595161404802555 2    802556 2      C-13-H3C(O)CH3
  459855.1197  0.0966 -6.0733 3 1508.1199C88  595161404802555 0    802456 0      C-13-H3C(O)CH3
  459855.1197  0.0966 -6.0733 3 1508.1199C88  595161404802655 0    802556 0      C-13-H3C(O)CH3
  459855.1197  0.0966 -6.3211 3 1508.1199C88  595161404802655 0    802456 0      C-13-H3C(O)CH3
  459855.1197  0.0966 -6.3211 3 1508.1199C88  595161404802555 0    802556 0      C-13-H3C(O)CH3
  459883.3471  0.0057 -3.4827 3  167.8464188 -5951614042323 0 4    2222 0 4      C-13-H3C(O)CH3
  459885.3730  0.0214 -5.8535 3  474.7199680  595161404422319 2    422022 2      C-13-H3C(O)CH3
  459909.7458  0.0198 -4.9924 3  466.7484664  595161404412715 2    402813 2      C-13-H3C(O)CH3
  459922.6878  0.0297 -5.5985 3  866.8987A48  595161404651254 2    651155 2      C-13-H3C(O)CH3
  459922.6878  0.0297 -4.9696 3  866.8987A48  595161404651154 2    651155 2      C-13-H3C(O)CH3
  459922.6878  0.0297 -4.9696 3  866.8987A48  595161404651254 2    651055 2      C-13-H3C(O)CH3
  459922.6878  0.0297 -5.5985 3  866.8987A48  595161404651154 2    651055 2      C-13-H3C(O)CH3
  459922.8310  0.0304 -5.2464 3  866.8989A48  595161404651254 1    651055 1      C-13-H3C(O)CH3
  459922.8310  0.0304 -5.1206 3  866.8989A48  595161404651254 1    651155 1      C-13-H3C(O)CH3
  459922.8310  0.0304 -5.2464 3  866.8989A48  595161404651154 1    651155 1      C-13-H3C(O)CH3
  459922.8310  0.0304 -5.1206 3  866.8989A48  595161404651154 1    651055 1      C-13-H3C(O)CH3
  459925.2874  0.7097 -6.4577 3 1109.3352A16  595161404634122 1    633825 1      C-13-H3C(O)CH3
  459943.0162  0.0229 -6.1539 3  474.6967340  595161404422319 3    422022 3      C-13-H3C(O)CH3
  459944.1094  0.0141 -5.8536 3  474.7460680  595161404422319 0    422022 0      C-13-H3C(O)CH3
  459945.6038  0.0229 -6.1539 3  474.6967340  595161404422319 4    422022 4      C-13-H3C(O)CH3
  460002.3250  0.0151 -5.8531 3  474.7228680  595161404422319 1    422022 1      C-13-H3C(O)CH3
  460013.0951  0.0223 -4.5698 3  374.0122600  595161404372314 2    362413 2      C-13-H3C(O)CH3
  460019.8044  0.0332 -5.6247 3  866.8723524  595161404651154 3    651155 3      C-13-H3C(O)CH3
  460019.8044  0.0332 -5.3712 3  866.8723524  595161404651254 3    651155 3      C-13-H3C(O)CH3
  460019.8044  0.0332 -5.6247 3  866.8723524  595161404651254 3    651055 3      C-13-H3C(O)CH3
  460019.8044  0.0332 -5.3712 3  866.8723524  595161404651154 3    651055 3      C-13-H3C(O)CH3
  460019.8379  0.0332 -6.2671 3  866.8722524  595161404651254 4    651155 4      C-13-H3C(O)CH3
  460019.8379  0.0332 -6.2671 3  866.8722524  595161404651154 4    651055 4      C-13-H3C(O)CH3
  460019.8379  0.0332 -5.2156 3  866.8722524  595161404651254 4    651055 4      C-13-H3C(O)CH3
  460019.8379  0.0332 -5.2156 3  866.8722524  595161404651154 4    651155 4      C-13-H3C(O)CH3
  460024.3048  0.0169 -5.0797 3  466.7425664  595161404412715 1    402813 1      C-13-H3C(O)CH3
  460096.8376  0.0222 -5.2316 3  466.7222332  595161404412715 4    402813 4      C-13-H3C(O)CH3
  460100.6481  0.0052 -3.4821 3  167.7921188 -5951614042323 1 3    2222 1 3      C-13-H3C(O)CH3
  460125.9262  0.0049 -3.1813 3  167.8911376 -5951614042323 0 2    2222 0 2      C-13-H3C(O)CH3
  460129.2711  0.0051 -3.1812 3  167.8723376 -5951614042323 0 1    2222 0 1      C-13-H3C(O)CH3
  460136.0579  0.0279 -4.8664 3  373.9902300  595161404372314 3    362413 3      C-13-H3C(O)CH3
  460163.0405  0.0053 -3.4820 3  167.8070188 -5951614042323 0 3    2222 0 3      C-13-H3C(O)CH3
  460166.4030  0.0248 -4.8742 3  373.9889300  595161404372314 4    362413 4      C-13-H3C(O)CH3
  460210.8489  0.0027 -5.9967 3  351.8047348 -59516140443 638 3    42 637 3      C-13-H3C(O)CH3
  460210.8489  0.0027 -4.1063 3  351.8047348 -59516140443 638 4    42 637 4      C-13-H3C(O)CH3
  460210.8489  0.0027 -4.1063 3  351.8047348 -59516140443 538 4    42 537 4      C-13-H3C(O)CH3
  460210.8489  0.0027 -3.6520 3  351.8047348 -59516140443 538 3    42 637 3      C-13-H3C(O)CH3
  460210.9544  0.0027 -3.8370 3  351.8047348  59516140443 538 4    42 637 4      C-13-H3C(O)CH3
  460210.9544  0.0027 -3.8370 3  351.8047348  59516140443 638 4    42 537 4      C-13-H3C(O)CH3
  460210.9913  0.0027 -3.7238 3  351.8047348  59516140443 638 3    42 537 3      C-13-H3C(O)CH3
  460210.9913  0.0027 -4.4567 3  351.8047348  59516140443 538 3    42 537 3      C-13-H3C(O)CH3
  460248.6326  0.0033 -3.3738 3  351.8100696  59516140443 538 1    42 537 1      C-13-H3C(O)CH3
  460248.6326  0.0033 -3.3738 3  351.8100696  59516140443 638 1    42 637 1      C-13-H3C(O)CH3
  460248.8580  0.0032 -3.4325 3  351.8095696 -59516140443 638 2    42 537 2      C-13-H3C(O)CH3
  460248.8580  0.0033 -4.6048 3  351.8100696 -59516140443 538 1    42 637 1      C-13-H3C(O)CH3
  460248.8580  0.0033 -4.6048 3  351.8100696 -59516140443 638 1    42 537 1      C-13-H3C(O)CH3
  460248.8580  0.0032 -3.4325 3  351.8095696 -59516140443 538 2    42 637 2      C-13-H3C(O)CH3
  460249.0097  0.0032 -4.1064 3  351.8095696  59516140443 538 2    42 537 2      C-13-H3C(O)CH3
  460249.0097  0.0032 -4.1064 3  351.8095696  59516140443 638 2    42 637 2      C-13-H3C(O)CH3
  460286.5817  0.0026 -3.4167 3  351.8147696  59516140443 538 0    42 537 0      C-13-H3C(O)CH3
  460286.5817  0.0026 -4.1895 3  351.8147696  59516140443 638 0    42 537 0      C-13-H3C(O)CH3
  460286.6749  0.0026 -4.1895 3  351.8147696 -59516140443 538 0    42 637 0      C-13-H3C(O)CH3
  460286.6749  0.0026 -3.4167 3  351.8147696 -59516140443 638 0    42 637 0      C-13-H3C(O)CH3
  460315.4456  0.0197 -4.8372 3  827.7900A32  595161404641154 0    64 955 0      C-13-H3C(O)CH3
  460315.4456  0.0197 -4.8373 3  827.7900A32  595161404641054 0    641055 0      C-13-H3C(O)CH3
  460341.6746  0.0162 -4.5576 3  374.0315600  595161404372314 0    362413 0      C-13-H3C(O)CH3
  460343.0275  0.0048 -3.1807 3  167.8367376 -5951614042323 1 2    2222 1 2      C-13-H3C(O)CH3
  460372.3162  0.0048 -3.1808 3  167.9169376 -5951614042323 1 0    2222 0 0      C-13-H3C(O)CH3
  460372.3162  0.0048 -3.1808 3  167.9169376 -5951614042323 0 0    2222 1 0      C-13-H3C(O)CH3
  460379.6841  0.0056 -3.4815 3  167.7527188 -5951614042323 1 4    2222 1 4      C-13-H3C(O)CH3
  460388.4442  0.0285 -4.8873 3  827.7604A32  595161404641154 2    641055 2      C-13-H3C(O)CH3
  460388.4442  0.0285 -5.7783 3  827.7604A32  595161404641054 2    641055 2      C-13-H3C(O)CH3
  460388.4442  0.0285 -4.8873 3  827.7604A32  595161404641054 2    64 955 2      C-13-H3C(O)CH3
  460388.4442  0.0285 -5.7783 3  827.7604A32  595161404641154 2    64 955 2      C-13-H3C(O)CH3
  460388.6113  0.0290 -4.8348 3  827.7606A32  595161404641154 1    64 955 1      C-13-H3C(O)CH3
  460388.6113  0.0290 -4.8348 3  827.7606A32  595161404641054 1    641055 1      C-13-H3C(O)CH3
  460408.9765  0.0049 -3.1806 3  167.8328376 -5951614042323 1 1    2222 1 1      C-13-H3C(O)CH3
  460461.6302  0.0301 -5.6082 3  827.7308516  595161404641054 4    641055 4      C-13-H3C(O)CH3
  460461.6302  0.0301 -5.6082 3  827.7308516  595161404641154 4    64 955 4      C-13-H3C(O)CH3
  460461.6302  0.0301 -5.3139 3  827.7308516  595161404641154 4    641055 4      C-13-H3C(O)CH3
  460461.6302  0.0301 -5.3139 3  827.7308516  595161404641054 4    64 955 4      C-13-H3C(O)CH3
  460461.6889  0.0301 -5.4388 3  827.7309516  595161404641054 3    64 955 3      C-13-H3C(O)CH3
  460461.6889  0.0301 -5.4344 3  827.7309516  595161404641054 3    641055 3      C-13-H3C(O)CH3
  460461.6889  0.0301 -5.4344 3  827.7309516  595161404641154 3    64 955 3      C-13-H3C(O)CH3
  460461.6889  0.0301 -5.4388 3  827.7309516  595161404641154 3    641055 3      C-13-H3C(O)CH3
  460474.9911  0.0178 -4.5575 3  374.0090600  595161404372314 1    362413 1      C-13-H3C(O)CH3
  460593.1865  0.0804 -6.0955 3 1460.3439636  595161404792555 3    792456 3      C-13-H3C(O)CH3
  460593.1865  0.0804 -6.0955 3 1460.3439636  595161404792455 3    792356 3      C-13-H3C(O)CH3
  460593.2249  0.0805 -6.1376 3 1460.3439636  595161404792455 4    792356 4      C-13-H3C(O)CH3
  460593.2249  0.0805 -6.1376 3 1460.3439636  595161404792555 4    792456 4      C-13-H3C(O)CH3
  460593.4281  0.0937 -5.7954 3 1460.3213C72  595161404792555 1    792356 1      C-13-H3C(O)CH3
  460593.4281  0.0937 -5.7954 3 1460.3213C72  595161404792455 1    792456 1      C-13-H3C(O)CH3
  460600.2324  0.0966 -5.8706 3 1460.3232C72  595161404792455 2    792356 2      C-13-H3C(O)CH3
  460600.2324  0.0966 -6.5877 3 1460.3232C72  595161404792555 2    792356 2      C-13-H3C(O)CH3
  460600.2324  0.0966 -5.8706 3 1460.3232C72  595161404792555 2    792456 2      C-13-H3C(O)CH3
  460600.2324  0.0966 -6.5877 3 1460.3232C72  595161404792455 2    792456 2      C-13-H3C(O)CH3
  460600.5184  0.0926 -5.8222 3 1460.3006C72  595161404792455 0    792356 0      C-13-H3C(O)CH3
  460600.5184  0.0926 -5.7949 3 1460.3006C72  595161404792555 0    792456 0      C-13-H3C(O)CH3
  460696.7937  0.0027 -3.9052 3  291.9804276  595161404341519 4    331618 4      C-13-H3C(O)CH3
  460696.9707  0.0027 -3.9052 3  291.9804276  595161404341519 3    331618 3      C-13-H3C(O)CH3
  460704.0102  0.0027 -3.9052 3  291.9802276  595161404341619 4    331518 4      C-13-H3C(O)CH3
  460704.2137  0.0027 -3.9052 3  291.9802276  595161404341619 3    331518 3      C-13-H3C(O)CH3
  460730.2094  0.0028 -3.6042 3  292.0054552 -595161404341519 1    331618 1      C-13-H3C(O)CH3
  460737.0140  0.0028 -3.6042 3  292.0052552 -595161404341619 1    331518 1      C-13-H3C(O)CH3
  460740.2583  0.0029 -3.6043 3  292.0020552 -595161404341519 2    331618 2      C-13-H3C(O)CH3
  460747.4938  0.0029 -3.6043 3  292.0018552 -595161404341619 2    331518 2      C-13-H3C(O)CH3
  460773.4634  0.0025 -3.6043 3  292.0269552 -595161404341519 0    331618 0      C-13-H3C(O)CH3
  460780.3659  0.0025 -3.6043 3  292.0267552 -595161404341619 0    331518 0      C-13-H3C(O)CH3
  460801.7816  0.0180 -5.2424 3  789.2371A16  59516140463 954 0    63 955 0      C-13-H3C(O)CH3
  460801.7816  0.0180 -5.2424 3  789.2371A16  595161404631054 0    63 855 0      C-13-H3C(O)CH3
  460801.7816  0.0180 -4.9904 3  789.2371A16  595161404631054 0    63 955 0      C-13-H3C(O)CH3
  460801.7816  0.0180 -4.9904 3  789.2371A16  59516140463 954 0    63 855 0      C-13-H3C(O)CH3
  460803.1115  0.0025 -3.9637 3  281.2019268  595161404331617 4    321716 4      C-13-H3C(O)CH3
  460803.1486  0.0025 -3.9637 3  281.2019268  595161404331617 3    321716 3      C-13-H3C(O)CH3
  460818.0804  0.0935 -6.0072 3  812.6798872  595161404543520 0    543223 0      C-13-H3C(O)CH3
  460840.5286  0.0294 -4.8647 3  789.2059A16  595161404631054 2    63 955 2      C-13-H3C(O)CH3
  460840.5286  0.0294 -5.6386 3  789.2059A16  595161404631054 2    63 855 2      C-13-H3C(O)CH3
  460840.5286  0.0294 -5.6386 3  789.2059A16  59516140463 954 2    63 955 2      C-13-H3C(O)CH3
  460840.5286  0.0294 -4.8647 3  789.2059A16  59516140463 954 2    63 855 2      C-13-H3C(O)CH3
  460840.5649  0.0297 -4.7975 3  789.2061A16  59516140463 954 1    63 955 1      C-13-H3C(O)CH3
  460840.5649  0.0297 -5.8361 3  789.2061A16  595161404631054 1    63 955 1      C-13-H3C(O)CH3
  460840.5649  0.0297 -4.8388 3  789.2061A16  595161404631054 1    63 855 1      C-13-H3C(O)CH3
  460844.2485  0.0027 -3.6627 3  281.2261536 -595161404331617 1    321716 1      C-13-H3C(O)CH3
  460857.0040  0.0027 -3.6629 3  281.2214536 -595161404331617 2    321716 2      C-13-H3C(O)CH3
  460879.1851  0.0270 -5.2984 3  789.1748508  595161404631054 4    63 855 4      C-13-H3C(O)CH3
  460879.1851  0.0270 -5.5303 3  789.1748508  595161404631054 4    63 955 4      C-13-H3C(O)CH3
  460879.1851  0.0270 -5.5303 3  789.1748508  59516140463 954 4    63 855 4      C-13-H3C(O)CH3
  460879.1851  0.0270 -5.2984 3  789.1748508  59516140463 954 4    63 955 4      C-13-H3C(O)CH3
  460879.3544  0.0270 -5.5377 3  789.1748508  595161404631054 3    63 955 3      C-13-H3C(O)CH3
  460879.3544  0.0270 -5.2941 3  789.1748508  59516140463 954 3    63 955 3      C-13-H3C(O)CH3
  460879.3544  0.0270 -5.2941 3  789.1748508  595161404631054 3    63 855 3      C-13-H3C(O)CH3
  460879.3544  0.0270 -5.5377 3  789.1748508  59516140463 954 3    63 855 3      C-13-H3C(O)CH3
  460898.1395  0.0024 -3.6629 3  281.2456536 -595161404331617 0    321716 0      C-13-H3C(O)CH3
  460903.8118  0.0061 -3.7834 3  165.5911408  5951614042516 9 2    241510 2      C-13-H3C(O)CH3
  460953.2773  0.0048 -3.7821 3  165.5954408 -5951614042516 9 0    241510 0      C-13-H3C(O)CH3
  460990.9596  0.0083 -4.0872 3  165.5902204  5951614042516 9 3    241510 3      C-13-H3C(O)CH3
  460996.1044  0.0069 -6.4181 3  188.6339456  595161404281117 2    28 820 2      C-13-H3C(O)CH3
  460996.3188  0.0069 -6.4181 3  188.6339456  595161404281217 2    28 920 2      C-13-H3C(O)CH3
  461028.1657  0.0070 -6.4171 3  188.6351456  595161404281117 1    28 820 1      C-13-H3C(O)CH3
  461028.3692  0.0070 -6.4171 3  188.6351456  595161404281217 1    28 920 1      C-13-H3C(O)CH3
  461040.4526  0.0551 -6.5786 3  878.5284856  5951614045347 6 1    5248 4 1      C-13-H3C(O)CH3
  461053.9220  0.0081 -4.0906 3  165.5891204  5951614042516 9 4    241510 4      C-13-H3C(O)CH3
  461069.1373  0.0061 -3.7865 3  165.5940408  5951614042516 9 1    241510 1      C-13-H3C(O)CH3
  461075.5482  0.0028 -3.8621 3  302.0917284  595161404351421 4    341520 4      C-13-H3C(O)CH3
  461075.6588  0.0028 -3.8621 3  302.0917284  595161404351521 4    341420 4      C-13-H3C(O)CH3
  461075.6806  0.0028 -3.8621 3  302.0918284  595161404351421 3    341520 3      C-13-H3C(O)CH3
  461075.7919  0.0028 -3.8621 3  302.0917284  595161404351521 3    341420 3      C-13-H3C(O)CH3
  461079.7362  0.0601 -6.5796 3  878.5083856  5951614045347 6 2    5248 4 2      C-13-H3C(O)CH3
  461106.0829  0.0030 -3.5611 3  302.1170568 -595161404351521 1    341420 1      C-13-H3C(O)CH3
  461106.0829  0.0030 -3.5611 3  302.1170568 -595161404351421 1    341520 1      C-13-H3C(O)CH3
  461112.5682  0.0030 -3.5611 3  302.1145568 -595161404351421 2    341520 2      C-13-H3C(O)CH3
  461112.5682  0.0030 -3.5611 3  302.1145568 -595161404351521 2    341420 2      C-13-H3C(O)CH3
  461114.3807  0.0025 -3.9630 3  281.1938268  595161404331717 4    321616 4      C-13-H3C(O)CH3
  461115.1380  0.0025 -3.9630 3  281.1938268  595161404331717 3    321616 3      C-13-H3C(O)CH3
  461142.8921  0.0026 -3.5612 3  302.1397568 -595161404351521 0    341420 0      C-13-H3C(O)CH3
  461142.8921  0.0026 -3.5612 3  302.1397568 -595161404351421 0    341520 0      C-13-H3C(O)CH3
  461149.6380  0.0027 -3.6620 3  281.2181536 -595161404331717 1    321616 1      C-13-H3C(O)CH3
  461172.6298  0.0027 -3.6622 3  281.2131536 -595161404331717 2    321616 2      C-13-H3C(O)CH3
  461206.8806  0.0023 -3.6622 3  281.2375536 -595161404331717 0    321616 0      C-13-H3C(O)CH3
  461215.6575  0.0593 -6.5792 3  878.5090856  5951614045347 7 1    5248 5 1      C-13-H3C(O)CH3
  461236.8244  0.0504 -6.3790 3  627.2680760  595161404473315 1    473017 1      C-13-H3C(O)CH3
  461257.7912  0.0498 -6.1786 3  574.6364372  595161404462620 3    462323 3      C-13-H3C(O)CH3
  461263.2401  0.0504 -6.1786 3  574.6363372  595161404462620 4    462323 4      C-13-H3C(O)CH3
  461271.9743  0.0240 -5.1018 3  751.2051500  59516140462 854 4    62 755 4      C-13-H3C(O)CH3
  461271.9743  0.0240 -6.1811 3  751.2051500  59516140462 954 4    62 755 4      C-13-H3C(O)CH3
  461271.9743  0.0240 -6.1811 3  751.2051500  59516140462 854 4    62 855 4      C-13-H3C(O)CH3
  461271.9743  0.0240 -5.1018 3  751.2051500  59516140462 954 4    62 855 4      C-13-H3C(O)CH3
  461272.2655  0.0240 -5.1270 3  751.2051500  59516140462 954 3    62 755 3      C-13-H3C(O)CH3
  461272.2655  0.0240 -5.1270 3  751.2051500  59516140462 854 3    62 855 3      C-13-H3C(O)CH3
  461272.2655  0.0240 -5.9567 3  751.2051500  59516140462 854 3    62 755 3      C-13-H3C(O)CH3
  461272.2655  0.0240 -5.9567 3  751.2051500  59516140462 954 3    62 855 3      C-13-H3C(O)CH3
  461279.7844  0.0309 -5.1057 3  751.2362A00  59516140462 854 1    62 755 1      C-13-H3C(O)CH3
  461279.7844  0.0309 -5.1057 3  751.2362A00  59516140462 954 1    62 855 1      C-13-H3C(O)CH3
  461279.7844  0.0309 -5.0317 3  751.2362A00  59516140462 954 1    62 755 1      C-13-H3C(O)CH3
  461279.7844  0.0309 -5.0317 3  751.2362A00  59516140462 854 1    62 855 1      C-13-H3C(O)CH3
  461279.9977  0.0307 -4.8031 3  751.2359A00  59516140462 854 2    62 755 2      C-13-H3C(O)CH3
  461279.9977  0.0307 -5.8538 3  751.2359A00  59516140462 854 2    62 855 2      C-13-H3C(O)CH3
  461279.9977  0.0307 -4.8031 3  751.2359A00  59516140462 954 2    62 855 2      C-13-H3C(O)CH3
  461279.9977  0.0307 -5.8538 3  751.2359A00  59516140462 954 2    62 755 2      C-13-H3C(O)CH3
  461286.2083  0.0066 -6.4157 3  188.6346456  595161404281117 0    28 820 0      C-13-H3C(O)CH3
  461286.4164  0.0066 -6.4157 3  188.6346456  595161404281217 0    28 920 0      C-13-H3C(O)CH3
  461287.5085  0.0178 -6.0083 3  751.2670A00  59516140462 954 0    62 755 0      C-13-H3C(O)CH3
  461287.5085  0.0178 -6.0083 3  751.2670A00  59516140462 854 0    62 855 0      C-13-H3C(O)CH3
  461287.5085  0.0178 -4.7917 3  751.2670A00  59516140462 954 0    62 855 0      C-13-H3C(O)CH3
  461287.5085  0.0178 -4.7917 3  751.2670A00  59516140462 854 0    62 755 0      C-13-H3C(O)CH3
  461311.4652  0.0026 -3.6898 3  356.2523356  59516140444 440 4    43 539 4      C-13-H3C(O)CH3
  461311.4652  0.0026 -4.5350 3  356.2523356  59516140444 540 4    43 539 4      C-13-H3C(O)CH3
  461311.4847  0.0026 -4.5350 3  356.2523356 -59516140444 440 4    43 439 4      C-13-H3C(O)CH3
  461311.4847  0.0026 -3.6898 3  356.2523356 -59516140444 540 4    43 439 4      C-13-H3C(O)CH3
  461311.4847  0.0026 -4.4706 3  356.2522356 -59516140444 440 3    43 539 3      C-13-H3C(O)CH3
  461311.4847  0.0026 -4.4706 3  356.2522356 -59516140444 540 3    43 439 3      C-13-H3C(O)CH3
  461311.4855  0.0026 -3.6998 3  356.2522356  59516140444 440 3    43 439 3      C-13-H3C(O)CH3
  461311.4855  0.0026 -3.6998 3  356.2522356  59516140444 540 3    43 539 3      C-13-H3C(O)CH3
  461317.8171  0.0904 -5.8744 3 1413.0530C56  595161404782355 0    782256 0      C-13-H3C(O)CH3
  461317.8171  0.0904 -6.2173 3 1413.0530C56  595161404782455 0    782256 0      C-13-H3C(O)CH3
  461317.8171  0.0904 -5.8744 3 1413.0530C56  595161404782455 0    782356 0      C-13-H3C(O)CH3
  461317.8171  0.0904 -6.2173 3 1413.0530C56  595161404782355 0    782356 0      C-13-H3C(O)CH3
  461323.4726  0.0957 -6.0254 3 1413.0734C56  595161404782455 1    782256 1      C-13-H3C(O)CH3
  461323.4726  0.0957 -6.0008 3 1413.0734C56  595161404782455 1    782356 1      C-13-H3C(O)CH3
  461323.4726  0.0957 -6.0008 3 1413.0734C56  595161404782355 1    782256 1      C-13-H3C(O)CH3
  461323.4726  0.0957 -6.0254 3 1413.0734C56  595161404782355 1    782356 1      C-13-H3C(O)CH3
  461328.9330  0.0486 -6.0060 3  627.2714760  595161404473314 0    473017 0      C-13-H3C(O)CH3
  461330.3886  0.0983 -5.7620 3 1413.0749C56  595161404782455 2    782356 2      C-13-H3C(O)CH3
  461330.3886  0.0983 -5.7620 3 1413.0749C56  595161404782355 2    782256 2      C-13-H3C(O)CH3
  461330.7980  0.0485 -5.8783 3  574.6530744  595161404462620 2    462323 2      C-13-H3C(O)CH3
  461331.4983  0.0787 -6.0254 3  812.6804872  595161404543520 1    543223 1      C-13-H3C(O)CH3
  461336.1016  0.0772 -6.2246 3 1413.0952628  595161404782355 3    782256 3      C-13-H3C(O)CH3
  461336.1016  0.0772 -6.4266 3 1413.0952628  595161404782455 3    782256 3      C-13-H3C(O)CH3
  461336.1016  0.0772 -6.2246 3 1413.0952628  595161404782455 3    782356 3      C-13-H3C(O)CH3
  461336.1016  0.0772 -6.4266 3 1413.0952628  595161404782355 3    782356 3      C-13-H3C(O)CH3
  461336.1637  0.0772 -6.0258 3 1413.0953628  595161404782455 4    782256 4      C-13-H3C(O)CH3
  461336.1637  0.0772 -6.0258 3 1413.0953628  595161404782355 4    782356 4      C-13-H3C(O)CH3
  461348.1211  0.0032 -3.4791 3  356.2498712  59516140444 440 1    43 539 1      C-13-H3C(O)CH3
  461348.1211  0.0032 -3.4791 3  356.2498712  59516140444 540 1    43 439 1      C-13-H3C(O)CH3
  461348.2686  0.0032 -3.8691 3  356.2498712 -59516140444 540 1    43 539 1      C-13-H3C(O)CH3
  461348.2686  0.0032 -3.3369 3  356.2493712 -59516140444 440 2    43 439 2      C-13-H3C(O)CH3
  461348.2686  0.0032 -3.8691 3  356.2498712 -59516140444 440 1    43 439 1      C-13-H3C(O)CH3
  461348.2686  0.0032 -3.3369 3  356.2493712 -59516140444 540 2    43 539 2      C-13-H3C(O)CH3
  461348.3590  0.0032 -5.1830 3  356.2493712  59516140444 440 2    43 539 2      C-13-H3C(O)CH3
  461348.3590  0.0032 -5.1830 3  356.2493712  59516140444 540 2    43 439 2      C-13-H3C(O)CH3
  461371.8569  0.0254 -5.4706 3  646.2286760  595161404473612 0    4637 9 0      C-13-H3C(O)CH3
  461371.8684  0.0254 -5.4706 3  646.2286760  595161404473611 0    463710 0      C-13-H3C(O)CH3
  461372.3090  0.0533 -6.5780 3  878.4823856  5951614045347 6 0    5248 4 0      C-13-H3C(O)CH3
  461372.3090  0.0533 -6.5780 3  878.4823856  5951614045347 7 0    5248 5 0      C-13-H3C(O)CH3
  461384.8943  0.0025 -3.3358 3  356.2469712 -59516140444 540 0    43 439 0      C-13-H3C(O)CH3
  461384.8943  0.0025 -3.3358 3  356.2469712 -59516140444 440 0    43 539 0      C-13-H3C(O)CH3
  461384.9222  0.0025 -5.2652 3  356.2469712  59516140444 440 0    43 439 0      C-13-H3C(O)CH3
  461384.9222  0.0025 -5.2652 3  356.2469712  59516140444 540 0    43 539 0      C-13-H3C(O)CH3
  461420.6822  0.0993 -6.0336 3  812.6793872  595161404543520 2    543223 2      C-13-H3C(O)CH3
  461450.7132  0.0275 -5.4710 3  646.2483760  595161404473611 1    4637 9 1      C-13-H3C(O)CH3
  461479.1892  0.0608 -6.4067 3  627.2692760  595161404473315 2    473017 2      C-13-H3C(O)CH3
  461489.2100  0.0254 -5.8779 3  574.6555744  595161404462620 1    462323 1      C-13-H3C(O)CH3
  461497.3610  0.0134 -6.5199 3  296.6195536  595161404332112 0    331617 0      C-13-H3C(O)CH3
  461510.4303  0.0190 -6.3806 3  174.3005408  5951614042519 7 1    2418 6 1      C-13-H3C(O)CH3
  461538.4049  0.0142 -6.5212 3  296.5940536  595161404332112 2    331617 2      C-13-H3C(O)CH3
  461540.1020  0.0614 -6.5791 3  878.4888856  5951614045347 7 2    5248 5 2      C-13-H3C(O)CH3
  461559.0958  0.0266 -5.8786 3  574.6720744  595161404462620 0    462323 0      C-13-H3C(O)CH3
  461565.5461  0.0258 -5.4706 3  646.2185760  595161404473612 1    463710 1      C-13-H3C(O)CH3
  461578.1110  0.0252 -5.4701 3  646.2351760  595161404473612 2    463710 2      C-13-H3C(O)CH3
  461586.5392  0.0040 -3.5754 3  170.1918196 -5951614042421 3 4    2320 3 4      C-13-H3C(O)CH3
  461629.7047  0.0406 -6.3323 3  835.3553840  5951614045245 7 1    5146 5 1      C-13-H3C(O)CH3
  461639.4067  0.0216 -5.3391 3  713.8229492  59516140461 754 4    61 655 4      C-13-H3C(O)CH3
  461639.4067  0.0216 -5.3513 3  713.8229492  59516140461 854 4    61 655 4      C-13-H3C(O)CH3
  461639.4067  0.0216 -5.3391 3  713.8229492  59516140461 854 4    61 755 4      C-13-H3C(O)CH3
  461639.4067  0.0216 -5.3513 3  713.8229492  59516140461 754 4    61 755 4      C-13-H3C(O)CH3
  461639.8179  0.0215 -5.1139 3  713.8230492  59516140461 854 3    61 755 3      C-13-H3C(O)CH3
  461639.8179  0.0215 -5.1139 3  713.8230492  59516140461 754 3    61 655 3      C-13-H3C(O)CH3
  461639.8179  0.0215 -5.8727 3  713.8230492  59516140461 854 3    61 655 3      C-13-H3C(O)CH3
  461639.8179  0.0215 -5.8727 3  713.8230492  59516140461 754 3    61 755 3      C-13-H3C(O)CH3
  461649.3272  0.0141 -6.5222 3  296.5983536  595161404332112 1    331617 1      C-13-H3C(O)CH3
  461655.9839  0.0303 -5.7715 3  646.2549380  595161404473611 3    4637 9 3      C-13-H3C(O)CH3
  461675.7727  0.0268 -5.4707 3  646.2511760  595161404473611 2    4637 9 2      C-13-H3C(O)CH3
  461704.2163  0.0737 -5.9612 3  775.6099856  595161404533321 0    533024 0      C-13-H3C(O)CH3
  461706.1586  0.0716 -6.3740 3  812.6798436  595161404543520 4    543223 4      C-13-H3C(O)CH3
  461707.3843  0.0312 -4.7471 3  713.8515984  59516140461 754 1    61 655 1      C-13-H3C(O)CH3
  461707.3843  0.0312 -4.7471 3  713.8515984  59516140461 854 1    61 755 1      C-13-H3C(O)CH3
  461707.9099  0.0311 -6.1163 3  713.8512984  59516140461 754 2    61 655 2      C-13-H3C(O)CH3
  461707.9099  0.0311 -4.7617 3  713.8512984  59516140461 754 2    61 755 2      C-13-H3C(O)CH3
  461707.9099  0.0311 -4.7617 3  713.8512984  59516140461 854 2    61 655 2      C-13-H3C(O)CH3
  461707.9099  0.0311 -6.1163 3  713.8512984  59516140461 854 2    61 755 2      C-13-H3C(O)CH3
  461718.6658  0.2768 -6.4211 3  860.7929452  595161404563323 3    563026 3      C-13-H3C(O)CH3
  461729.3778  0.2755 -6.4212 3  860.7929452  595161404563323 4    563026 4      C-13-H3C(O)CH3
  461741.1937  0.0034 -3.5751 3  170.1392196 -5951614042421 4 3    2320 4 3      C-13-H3C(O)CH3
  461747.3763  0.0029 -3.8273 3  311.5852292 -595161404361423 4    351322 4      C-13-H3C(O)CH3
  461747.3763  0.0029 -3.8273 3  311.5852292 -595161404361423 3    351322 3      C-13-H3C(O)CH3
  461747.3763  0.0029 -3.8273 3  311.5852292 -595161404361323 3    351422 3      C-13-H3C(O)CH3
  461747.3763  0.0029 -3.8273 3  311.5852292 -595161404361323 4    351422 4      C-13-H3C(O)CH3
  461752.8755  0.0899 -5.9887 3  807.3416872  595161404543421 0    543124 0      C-13-H3C(O)CH3
  461755.5363  0.0338 -5.7721 3  646.2708380  595161404473611 4    4637 9 4      C-13-H3C(O)CH3
  461770.5432  0.0278 -5.7711 3  646.2248380  595161404473612 4    463710 4      C-13-H3C(O)CH3
  461774.8208  0.0452 -6.3329 3  835.3345840  5951614045245 7 2    5146 5 2      C-13-H3C(O)CH3
  461775.3967  0.0182 -5.5285 3  713.8798984  59516140461 854 0    61 655 0      C-13-H3C(O)CH3
  461775.3967  0.0182 -4.8206 3  713.8798984  59516140461 754 0    61 655 0      C-13-H3C(O)CH3
  461775.3967  0.0182 -5.5285 3  713.8798984  59516140461 754 0    61 755 0      C-13-H3C(O)CH3
  461775.3967  0.0182 -4.8206 3  713.8798984  59516140461 854 0    61 755 0      C-13-H3C(O)CH3
  461776.5528  0.0032 -3.5263 3  311.6106584 -595161404361323 1    351422 1      C-13-H3C(O)CH3
  461776.5528  0.0032 -3.5263 3  311.6106584 -595161404361423 1    351322 1      C-13-H3C(O)CH3
  461781.0721  0.0032 -3.5264 3  311.6086584 -595161404361423 2    351322 2      C-13-H3C(O)CH3
  461781.0721  0.0032 -3.5264 3  311.6086584 -595161404361323 2    351422 2      C-13-H3C(O)CH3
  461795.9103  0.0033 -3.2739 3  170.1966392 -5951614042421 3 1    2320 3 1      C-13-H3C(O)CH3
  461802.0269  0.0036 -3.5749 3  170.1406196 -5951614042421 3 3    2320 3 3      C-13-H3C(O)CH3
  461809.9871  0.0027 -3.5264 3  311.6339584 -595161404361323 0    351422 0      C-13-H3C(O)CH3
  461809.9871  0.0027 -3.5264 3  311.6339584 -595161404361423 0    351322 0      C-13-H3C(O)CH3
  461819.0804  0.0225 -5.2282 3  466.7759332  595161404412714 4    402812 4      C-13-H3C(O)CH3
  461834.7535  0.0034 -3.2738 3  170.2112392 -5951614042421 3 2    2320 3 2      C-13-H3C(O)CH3
  461859.7403  0.0053 -6.1599 3  114.2739172  5951614042114 7 4    2011 9 4      C-13-H3C(O)CH3
  461860.1585  0.0203 -6.1953 3  174.3040408  5951614042519 7 2    2418 6 2      C-13-H3C(O)CH3
  461865.0835  0.0442 -6.3325 3  835.3309840  5951614045245 8 1    5146 6 1      C-13-H3C(O)CH3
  461868.6674  0.0300 -5.7717 3  646.2410380  595161404473612 3    463710 3      C-13-H3C(O)CH3
  461887.8966  0.0235 -4.9881 3  466.7818664  595161404412714 2    402812 2      C-13-H3C(O)CH3
  461907.5827  0.0401 -6.3315 3  835.3138840  5951614045245 8 0    5146 6 0      C-13-H3C(O)CH3
  461907.5827  0.0401 -6.3315 3  835.3138840  5951614045245 7 0    5146 5 0      C-13-H3C(O)CH3
  461956.2168  0.0033 -3.5746 3  170.0881196 -5951614042421 4 4    2320 4 4      C-13-H3C(O)CH3
  461962.4601  0.0067 -6.3108 3  114.2585344  5951614042114 7 1    2011 9 1      C-13-H3C(O)CH3
  461980.8422  0.0203 -5.0449 3  677.0295484  59516140460 654 4    60 655 4      C-13-H3C(O)CH3
  461980.8422  0.0203 -6.5430 3  677.0295484  59516140460 654 4    60 555 4      C-13-H3C(O)CH3
  461980.8422  0.0203 -6.5430 3  677.0295484  59516140460 754 4    60 655 4      C-13-H3C(O)CH3
  461980.8422  0.0203 -5.0449 3  677.0295484  59516140460 754 4    60 555 4      C-13-H3C(O)CH3
  461981.3495  0.0201 -5.0362 3  677.0295484  59516140460 654 3    60 555 3      C-13-H3C(O)CH3
  461981.3495  0.0201 -5.0362 3  677.0295484  59516140460 754 3    60 655 3      C-13-H3C(O)CH3
  461988.3517  0.0031 -3.2735 3  170.1586392 -5951614042421 4 2    2320 4 2      C-13-H3C(O)CH3
  462001.3211  0.0687 -5.9614 3  775.6074856  595161404533321 1    533024 1      C-13-H3C(O)CH3
  462008.1442  0.0888 -5.6413 3 1366.3781C40  595161404772255 0    772256 0      C-13-H3C(O)CH3
  462008.1442  0.0888 -5.6413 3 1366.3781C40  595161404772355 0    772156 0      C-13-H3C(O)CH3
  462010.4371  0.0030 -3.2734 3  170.1455392 -5951614042421 4 1    2320 4 1      C-13-H3C(O)CH3
  462022.6620  0.5412 -6.3627 3 1041.5467984  595161404614021 0    613724 0      C-13-H3C(O)CH3
  462027.8446  0.0976 -6.3440 3 1366.3974C40  595161404772255 1    772256 1      C-13-H3C(O)CH3
  462027.8446  0.0976 -5.7250 3 1366.3974C40  595161404772355 1    772256 1      C-13-H3C(O)CH3
  462027.8446  0.0976 -5.6738 3 1366.3974C40  595161404772255 1    772156 1      C-13-H3C(O)CH3
  462034.6123  0.0998 -6.2958 3 1366.3986C40  595161404772355 2    772256 2      C-13-H3C(O)CH3
  462034.6123  0.0998 -5.7374 3 1366.3986C40  595161404772355 2    772156 2      C-13-H3C(O)CH3
  462034.6123  0.0998 -6.2958 3 1366.3986C40  595161404772255 2    772156 2      C-13-H3C(O)CH3
  462034.6123  0.0998 -5.7374 3 1366.3986C40  595161404772255 2    772256 2      C-13-H3C(O)CH3
  462043.5188  0.0031 -3.2733 3  170.2160392 -5951614042421 3 0    2320 4 0      C-13-H3C(O)CH3
  462043.5188  0.0031 -3.2733 3  170.2160392 -5951614042421 4 0    2320 3 0      C-13-H3C(O)CH3
  462045.6668  0.0588 -5.9617 3  775.6062856  595161404533321 2    533024 2      C-13-H3C(O)CH3
  462054.3835  0.0742 -6.0058 3 1366.4180620  595161404772255 3    772156 3      C-13-H3C(O)CH3
  462054.3835  0.0742 -6.0058 3 1366.4180620  595161404772355 3    772256 3      C-13-H3C(O)CH3
  462054.4705  0.0742 -5.9326 3 1366.4180620  595161404772355 4    772256 4      C-13-H3C(O)CH3
  462054.4705  0.0742 -5.9358 3 1366.4180620  595161404772255 4    772256 4      C-13-H3C(O)CH3
  462077.6752  0.0073 -6.5422 3  114.2503344  5951614042114 7 2    2011 9 2      C-13-H3C(O)CH3
  462124.4981  0.0300 -4.9779 3  677.0527968  59516140460 654 1    60 655 1      C-13-H3C(O)CH3
  462124.4981  0.0300 -5.0916 3  677.0527968  59516140460 654 1    60 555 1      C-13-H3C(O)CH3
  462124.4981  0.0300 -4.9779 3  677.0527968  59516140460 754 1    60 555 1      C-13-H3C(O)CH3
  462124.4981  0.0300 -5.0916 3  677.0527968  59516140460 754 1    60 655 1      C-13-H3C(O)CH3
  462125.3204  0.0296 -4.7308 3  677.0524968  59516140460 754 2    60 655 2      C-13-H3C(O)CH3
  462125.3204  0.0296 -4.7308 3  677.0524968  59516140460 654 2    60 555 2      C-13-H3C(O)CH3
  462136.7795  0.0291 -5.4309 3  466.7557332  595161404412714 3    402812 3      C-13-H3C(O)CH3
  462147.4865  0.0806 -5.9898 3  807.3409872  595161404543421 1    543124 1      C-13-H3C(O)CH3
  462160.1554  0.0573 -6.2451 3  627.2680760  595161404473314 1    473017 1      C-13-H3C(O)CH3
  462186.6769  0.0438 -6.3321 3  835.3188840  5951614045245 8 2    5146 6 2      C-13-H3C(O)CH3
  462198.9836  0.0371 -6.2098 3  576.5376728  595161404453214 1    452917 1      C-13-H3C(O)CH3
  462203.9641  0.0788 -5.9904 3  807.3399872  595161404543421 2    543124 2      C-13-H3C(O)CH3
  462212.6511  0.2135 -6.6169 3 1895.6989E16  595161404883256 2    883157 2      C-13-H3C(O)CH3
  462212.6511  0.2135 -6.6169 3 1895.6989E16  595161404883356 2    883257 2      C-13-H3C(O)CH3
  462217.2613  0.2331 -6.5843 3 1895.6949E16  595161404883256 1    883257 1      C-13-H3C(O)CH3
  462217.2613  0.2331 -6.5843 3 1895.6949E16  595161404883356 1    883157 1      C-13-H3C(O)CH3
  462224.2802  0.1167 -6.3116 3  812.6801436  595161404543520 3    543223 3      C-13-H3C(O)CH3
  462226.6208  0.0202 -5.0749 3  466.7631664  595161404412714 1    402812 1      C-13-H3C(O)CH3
  462268.2877  0.0184 -5.3587 3  677.0756968  59516140460 654 0    60 555 0      C-13-H3C(O)CH3
  462268.2877  0.0184 -5.3587 3  677.0756968  59516140460 754 0    60 655 0      C-13-H3C(O)CH3
  462268.2877  0.0184 -4.8460 3  677.0756968  59516140460 754 0    60 555 0      C-13-H3C(O)CH3
  462268.2877  0.0184 -4.8460 3  677.0756968  59516140460 654 0    60 655 0      C-13-H3C(O)CH3
  462295.6074  0.0212 -5.1119 3  640.8259476  59516140459 654 4    59 455 4      C-13-H3C(O)CH3
  462295.6074  0.0212 -5.8060 3  640.8259476  59516140459 654 4    59 555 4      C-13-H3C(O)CH3
  462295.6074  0.0212 -5.1119 3  640.8259476  59516140459 554 4    59 555 4      C-13-H3C(O)CH3
  462295.6074  0.0212 -5.8060 3  640.8259476  59516140459 554 4    59 455 4      C-13-H3C(O)CH3
  462296.1525  0.0208 -5.1182 3  640.8258476  59516140459 554 3    59 555 3      C-13-H3C(O)CH3
  462296.1525  0.0208 -5.1182 3  640.8258476  59516140459 654 3    59 455 3      C-13-H3C(O)CH3
  462296.1525  0.0208 -5.7763 3  640.8258476  59516140459 554 3    59 455 3      C-13-H3C(O)CH3
  462296.1525  0.0208 -5.7763 3  640.8258476  59516140459 654 3    59 555 3      C-13-H3C(O)CH3
  462302.7162  0.0381 -6.2636 3  775.6037428  595161404533321 4    533024 4      C-13-H3C(O)CH3
  462369.8630  0.0362 -5.9787 3  576.5446728  595161404453214 0    452917 0      C-13-H3C(O)CH3
  462371.8192  0.0281 -5.4735 3  570.1425744  595161404462621 0    452718 0      C-13-H3C(O)CH3
  462380.6955  0.2850 -6.1216 3  860.7907904  595161404563323 2    563026 2      C-13-H3C(O)CH3
  462388.0265  0.0470 -6.2623 3  775.6037428  595161404533321 3    533024 3      C-13-H3C(O)CH3
  462411.0965  0.0491 -6.4399 3  576.5281364  595161404453214 4    452917 4      C-13-H3C(O)CH3
  462420.7550  0.0025 -4.6272 3  360.1609364  59516140445 442 4    44 341 4      C-13-H3C(O)CH3
  462420.7550  0.0025 -4.6272 3  360.1609364  59516140445 342 4    44 441 4      C-13-H3C(O)CH3
  462420.7578  0.0025 -3.7793 3  360.1608364  59516140445 342 3    44 341 3      C-13-H3C(O)CH3
  462420.7578  0.0025 -4.1127 3  360.1608364  59516140445 442 3    44 341 3      C-13-H3C(O)CH3
  462420.7717  0.0025 -3.7793 3  360.1608364 -59516140445 442 3    44 441 3      C-13-H3C(O)CH3
  462420.7717  0.0025 -4.1127 3  360.1608364 -59516140445 342 3    44 441 3      C-13-H3C(O)CH3
  462420.7717  0.0025 -3.6580 3  360.1609364 -59516140445 342 4    44 341 4      C-13-H3C(O)CH3
  462420.7717  0.0025 -3.6580 3  360.1609364 -59516140445 442 4    44 441 4      C-13-H3C(O)CH3
  462449.7837  0.1810 -6.1215 3  860.7906904  595161404563323 1    563026 1      C-13-H3C(O)CH3
  462454.5664  0.0032 -3.6435 3  360.1482728  59516140445 342 1    44 441 1      C-13-H3C(O)CH3
  462454.5664  0.0032 -3.5858 3  360.1482728  59516140445 442 1    44 441 1      C-13-H3C(O)CH3
  462454.5864  0.0032 -3.3555 3  360.1478728 -59516140445 342 2    44 441 2      C-13-H3C(O)CH3
  462454.5864  0.0032 -3.5858 3  360.1482728 -59516140445 342 1    44 341 1      C-13-H3C(O)CH3
  462454.5864  0.0032 -3.6435 3  360.1482728 -59516140445 442 1    44 341 1      C-13-H3C(O)CH3
  462454.5864  0.0032 -3.3555 3  360.1478728 -59516140445 442 2    44 341 2      C-13-H3C(O)CH3
  462454.6936  0.0032 -4.3393 3  360.1478728  59516140445 342 2    44 341 2      C-13-H3C(O)CH3
  462454.6936  0.0032 -4.3393 3  360.1478728  59516140445 442 2    44 441 2      C-13-H3C(O)CH3
  462468.4772  0.0421 -6.1835 3  576.5392728  595161404453214 2    452917 2      C-13-H3C(O)CH3
  462483.0675  0.0163 -4.8122 3  466.7671664  595161404412714 0    402813 0      C-13-H3C(O)CH3
  462488.4253  0.0025 -4.3536 3  360.1352728 -59516140445 442 0    44 441 0      C-13-H3C(O)CH3
  462488.4253  0.0025 -4.3536 3  360.1352728 -59516140445 342 0    44 341 0      C-13-H3C(O)CH3
  462488.4253  0.0025 -3.3540 3  360.1352728 -59516140445 342 0    44 441 0      C-13-H3C(O)CH3
  462488.4253  0.0025 -3.3540 3  360.1352728 -59516140445 442 0    44 341 0      C-13-H3C(O)CH3
  462528.8667  0.0469 -6.2946 3  807.3391436  595161404543421 4    543124 4      C-13-H3C(O)CH3
  462532.2749  0.0277 -4.7329 3  640.8405952  59516140459 554 1    59 555 1      C-13-H3C(O)CH3
  462532.2749  0.0277 -4.7329 3  640.8405952  59516140459 654 1    59 455 1      C-13-H3C(O)CH3
  462533.2766  0.0266 -4.8832 3  640.8401952  59516140459 554 2    59 455 2      C-13-H3C(O)CH3
  462533.2766  0.0266 -5.2580 3  640.8401952  59516140459 554 2    59 555 2      C-13-H3C(O)CH3
  462533.2766  0.0266 -4.8832 3  640.8401952  59516140459 654 2    59 555 2      C-13-H3C(O)CH3
  462533.2766  0.0266 -5.2580 3  640.8401952  59516140459 654 2    59 455 2      C-13-H3C(O)CH3
  462534.2456  0.0344 -5.3979 3  466.7424332  595161404412714 3    402813 3      C-13-H3C(O)CH3
  462572.1869  0.0264 -5.3083 3  174.2647204  5951614042519 7 3    2418 6 3      C-13-H3C(O)CH3
  462579.0732  0.0030 -3.7979 3  320.4885300 -595161404371325 3    361224 3      C-13-H3C(O)CH3
  462579.0732  0.0030 -3.7979 3  320.4885300 -595161404371225 3    361324 3      C-13-H3C(O)CH3
  462579.0732  0.0030 -3.7979 3  320.4885300 -595161404371225 4    361324 4      C-13-H3C(O)CH3
  462579.0732  0.0030 -3.7979 3  320.4885300 -595161404371325 4    361224 4      C-13-H3C(O)CH3
  462583.0139  0.0254 -6.5038 3  605.2132468  59516140458 554 4    58 455 4      C-13-H3C(O)CH3
  462583.0139  0.0254 -6.5038 3  605.2132468  59516140458 454 4    58 355 4      C-13-H3C(O)CH3
  462583.0139  0.0254 -5.0670 3  605.2132468  59516140458 554 4    58 355 4      C-13-H3C(O)CH3
  462583.0139  0.0254 -5.0670 3  605.2132468  59516140458 454 4    58 455 4      C-13-H3C(O)CH3
  462583.4884  0.0247 -5.0974 3  605.2132468  59516140458 454 3    58 455 3      C-13-H3C(O)CH3
  462583.4884  0.0247 -5.0974 3  605.2132468  59516140458 554 3    58 355 3      C-13-H3C(O)CH3
  462583.4884  0.0247 -6.0491 3  605.2132468  59516140458 554 3    58 455 3      C-13-H3C(O)CH3
  462583.4884  0.0247 -6.0491 3  605.2132468  59516140458 454 3    58 355 3      C-13-H3C(O)CH3
  462606.3285  0.0269 -5.4707 3  570.1198744  595161404462621 1    452718 1      C-13-H3C(O)CH3
  462608.1424  0.0033 -3.4969 3  320.5136600 -595161404371325 1    361224 1      C-13-H3C(O)CH3
  462608.1424  0.0033 -3.4969 3  320.5136600 -595161404371225 1    361324 1      C-13-H3C(O)CH3
  462611.2120  0.0033 -3.4970 3  320.5120600 -595161404371325 2    361224 2      C-13-H3C(O)CH3
  462611.2120  0.0033 -3.4970 3  320.5120600 -595161404371225 2    361324 2      C-13-H3C(O)CH3
  462614.7619  0.0337 -6.1088 3  793.4844824  5951614045143 8 1    5044 6 1      C-13-H3C(O)CH3
  462632.5558  0.6729 -6.6111 3 1274.6719A96  595161404684127 1    683830 1      C-13-H3C(O)CH3
  462634.3379  0.0465 -6.4109 3  793.5023412  5951614045143 8 4    5044 6 4      C-13-H3C(O)CH3
  462634.3664  0.0769 -6.2276 3  627.2692760  595161404473314 2    473017 2      C-13-H3C(O)CH3
  462639.8515  0.0028 -3.4970 3  320.5371600 -595161404371225 0    361324 0      C-13-H3C(O)CH3
  462639.8515  0.0028 -3.4970 3  320.5371600 -595161404371325 0    361224 0      C-13-H3C(O)CH3
  462652.8980  0.0872 -6.5462 3  627.2623380  595161404473314 3    473017 3      C-13-H3C(O)CH3
  462672.6947  0.0868 -5.5864 3 1320.2770C24  595161404762155 0    762056 0      C-13-H3C(O)CH3
  462672.6947  0.0868 -5.5864 3 1320.2770C24  595161404762255 0    762156 0      C-13-H3C(O)CH3
  462672.7359  0.0688 -6.2906 3  807.3392436  595161404543421 3    543124 3      C-13-H3C(O)CH3
  462707.4339  0.0985 -5.5651 3 1320.2946C24  595161404762255 1    762056 1      C-13-H3C(O)CH3
  462707.4339  0.0985 -5.5651 3 1320.2946C24  595161404762155 1    762156 1      C-13-H3C(O)CH3
  462713.8230  0.1002 -5.5887 3 1320.2955C24  595161404762255 2    762056 2      C-13-H3C(O)CH3
  462713.8230  0.1002 -5.5887 3 1320.2955C24  595161404762155 2    762156 2      C-13-H3C(O)CH3
  462738.2703  0.0240 -5.8620 3  602.5269760  595161404472820 0    472523 0      C-13-H3C(O)CH3
  462748.6462  0.0712 -5.8547 3 1320.3131612  595161404762155 3    762156 3      C-13-H3C(O)CH3
  462748.6462  0.0712 -5.8547 3 1320.3131612  595161404762255 3    762056 3      C-13-H3C(O)CH3
  462748.7586  0.0713 -5.9001 3 1320.3131612  595161404762155 4    762056 4      C-13-H3C(O)CH3
  462748.7586  0.0713 -5.9001 3 1320.3131612  595161404762255 4    762156 4      C-13-H3C(O)CH3
  462756.8294  0.0035 -3.7080 3  174.3061204 -5951614042519 6 4    2418 6 4      C-13-H3C(O)CH3
  462769.0697  0.0186 -6.2635 3  640.8547952  59516140459 654 0    59 455 0      C-13-H3C(O)CH3
  462769.0697  0.0186 -4.7427 3  640.8547952  59516140459 554 0    59 455 0      C-13-H3C(O)CH3
  462769.0697  0.0186 -6.2635 3  640.8547952  59516140459 554 0    59 555 0      C-13-H3C(O)CH3
  462769.0697  0.0186 -4.7427 3  640.8547952  59516140459 654 0    59 555 0      C-13-H3C(O)CH3
  462775.9406  0.0133 -5.8496 3  474.7461680  595161404422419 0    422122 0      C-13-H3C(O)CH3
  462809.0460  0.0171 -5.8495 3  474.7201680  595161404422419 2    422122 2      C-13-H3C(O)CH3
  462809.4044  0.0277 -5.8616 3  602.5101760  595161404472820 2    472523 2      C-13-H3C(O)CH3
  462813.3316  0.0326 -6.1080 3  793.4482824  5951614045143 9 0    5044 7 0      C-13-H3C(O)CH3
  462813.3316  0.0326 -6.1080 3  793.4482824  5951614045143 8 0    5044 6 0      C-13-H3C(O)CH3
  462832.1606  0.0371 -6.1091 3  793.4662824  5951614045143 8 2    5044 6 2      C-13-H3C(O)CH3
  462835.5465  0.0261 -5.8613 3  602.5126760  595161404472820 1    472523 1      C-13-H3C(O)CH3
  462838.9272  0.0128 -5.7609 3   84.9146148  5951614041814 5 4    1711 7 4      C-13-H3C(O)CH3
  462840.5277  0.8694 -6.6122 3 1274.6775A96  595161404684127 2    683830 2      C-13-H3C(O)CH3
  462842.3800  0.0332 -5.1030 3  570.1927460  59516140457 454 4    57 255 4      C-13-H3C(O)CH3
  462842.3800  0.0332 -5.1030 3  570.1927460  59516140457 354 4    57 355 4      C-13-H3C(O)CH3
  462842.6048  0.0324 -5.5452 3  570.1927460  59516140457 354 3    57 255 3      C-13-H3C(O)CH3
  462842.6048  0.0324 -5.2932 3  570.1927460  59516140457 354 3    57 355 3      C-13-H3C(O)CH3
  462842.6048  0.0324 -5.5452 3  570.1927460  59516140457 454 3    57 355 3      C-13-H3C(O)CH3
  462842.6048  0.0324 -5.2932 3  570.1927460  59516140457 454 3    57 255 3      C-13-H3C(O)CH3
  462844.9100  0.0212 -5.1555 3  466.7425664  595161404412714 1    402813 1      C-13-H3C(O)CH3
  462861.7919  0.0032 -3.7191 3  174.2647204 -5951614042519 6 3    2418 6 3      C-13-H3C(O)CH3
  462870.3721  0.0145 -5.8491 3  474.7230680  595161404422419 1    422122 1      C-13-H3C(O)CH3
  462871.9986  0.0376 -6.1087 3  793.4574824  5951614045143 9 1    5044 7 1      C-13-H3C(O)CH3
  462889.8170  0.0316 -5.2899 3  466.7484664  595161404412714 2    402813 2      C-13-H3C(O)CH3
  462892.3461  0.0471 -6.4108 3  793.4753412  5951614045143 9 3    5044 7 3      C-13-H3C(O)CH3
  462902.6924  0.0286 -6.1619 3  602.4957380  595161404472820 4    472523 4      C-13-H3C(O)CH3
  462902.9359  0.0033 -3.7187 3  174.2537204 -5951614042519 7 3    2418 7 3      C-13-H3C(O)CH3
  462903.3770  0.0179 -6.1499 3  474.6969340  595161404422419 4    422122 4      C-13-H3C(O)CH3
  462904.7557  0.0178 -6.1499 3  474.6969340  595161404422419 3    422122 3      C-13-H3C(O)CH3
  462913.3298  0.0280 -6.1619 3  602.4958380  595161404472820 3    472523 3      C-13-H3C(O)CH3
  462917.5764  0.0520 -5.4667 3  570.1057744  595161404462621 2    452718 2      C-13-H3C(O)CH3
  462931.1521  0.0029 -3.4069 3  174.3005408 -5951614042519 6 1    2418 6 1      C-13-H3C(O)CH3
  462931.8741  0.0279 -4.7643 3  605.2153936  59516140458 554 1    58 355 1      C-13-H3C(O)CH3
  462931.8741  0.0279 -6.2277 3  605.2153936  59516140458 554 1    58 455 1      C-13-H3C(O)CH3
  462931.8741  0.0279 -6.2277 3  605.2153936  59516140458 454 1    58 355 1      C-13-H3C(O)CH3
  462931.8741  0.0279 -4.7643 3  605.2153936  59516140458 454 1    58 455 1      C-13-H3C(O)CH3
  462932.8120  0.0253 -4.7497 3  605.2149936  59516140458 454 2    58 355 2      C-13-H3C(O)CH3
  462932.8120  0.0253 -4.7497 3  605.2149936  59516140458 554 2    58 455 2      C-13-H3C(O)CH3
  462956.5965  0.0427 -6.4100 3  793.4901412  5951614045143 8 3    5044 6 3      C-13-H3C(O)CH3
  462973.9451  0.0409 -6.3391 3  786.0962436  595161404542925 3    533222 3      C-13-H3C(O)CH3
  462993.3791  0.0031 -3.4066 3  174.3040408 -5951614042519 6 2    2418 6 2      C-13-H3C(O)CH3
  462996.0570  0.0390 -6.3390 3  786.0955436  595161404542925 4    533222 4      C-13-H3C(O)CH3
  463009.0470  0.0029 -3.7080 3  174.2123204 -5951614042519 7 4    2418 7 4      C-13-H3C(O)CH3
  463046.8327  0.0506 -6.5234 3  576.5365364  595161404453214 3    452917 3      C-13-H3C(O)CH3
  463053.1907  0.0555 -6.0394 3  786.0957872  595161404542925 1    533222 1      C-13-H3C(O)CH3
  463064.0559  0.0475 -6.0386 3  786.0946872  595161404542925 2    533222 2      C-13-H3C(O)CH3
  463072.7543  0.0441 -5.2091 3  535.7654452  59516140456 254 3    56 155 3      C-13-H3C(O)CH3
  463072.7543  0.0441 -5.2091 3  535.7654452  59516140456 354 3    56 255 3      C-13-H3C(O)CH3
  463073.0552  0.0449 -5.2013 3  535.7655452  59516140456 254 4    56 255 4      C-13-H3C(O)CH3
  463073.0552  0.0449 -5.2129 3  535.7655452  59516140456 354 4    56 155 4      C-13-H3C(O)CH3
  463074.2325  0.0027 -3.4067 3  174.2483408 -5951614042519 7 1    2418 7 1      C-13-H3C(O)CH3
  463082.1973  0.0109 -5.0761 3  434.2672324  595161404402417 4    392514 4      C-13-H3C(O)CH3
  463084.1501  0.0459 -6.3631 3  576.5376728  595161404453213 1    452917 1      C-13-H3C(O)CH3
  463102.4478  0.0029 -3.4068 3  174.2626408 -5951614042519 7 2    2418 7 2      C-13-H3C(O)CH3
  463106.2916  0.1896 -6.1230 3  860.7883904  595161404563323 0    563026 0      C-13-H3C(O)CH3
  463119.2729  0.0028 -3.4056 3  174.2995408 -5951614042519 7 0    2418 6 0      C-13-H3C(O)CH3
  463128.7467  0.0566 -6.0401 3  786.0945872  595161404542925 0    533222 0      C-13-H3C(O)CH3
  463133.7163  0.0089 -5.0732 3  434.2658324  595161404402417 3    392514 3      C-13-H3C(O)CH3
  463140.1356  0.0529 -5.7650 3  570.0832372  595161404462621 4    452718 4      C-13-H3C(O)CH3
  463153.7259  0.0357 -6.1082 3  793.4539824  5951614045143 9 2    5044 7 2      C-13-H3C(O)CH3
  463155.8760  0.0544 -5.7648 3  570.0828372  595161404462621 3    452718 3      C-13-H3C(O)CH3
  463166.8042  0.0095 -4.7731 3  434.2844648  595161404402417 2    392514 2      C-13-H3C(O)CH3
  463172.7233  0.1879 -6.4940 3 1843.3210E00  595161404873256 2    873057 2      C-13-H3C(O)CH3
  463172.7233  0.1879 -6.4940 3 1843.3210E00  595161404873156 2    873157 2      C-13-H3C(O)CH3
  463192.5124  0.0260 -5.3074 3  174.2537204  5951614042519 6 3    2418 7 3      C-13-H3C(O)CH3
  463213.1753  0.0473 -6.4099 3  793.4631412  5951614045143 9 4    5044 7 4      C-13-H3C(O)CH3
  463214.8442  0.0043 -4.7212 3   90.8565164  59516140420 812 3    19 713 3      C-13-H3C(O)CH3
  463215.1552  0.0060 -4.7212 3   90.8565164  59516140420 812 4    19 713 4      C-13-H3C(O)CH3
  463215.7218  0.0028 -3.4055 3  174.2972408 -5951614042519 6 0    2418 7 0      C-13-H3C(O)CH3
  463218.5712  0.0070 -6.5347 3  171.7630440  595161404271017 2    27 720 2      C-13-H3C(O)CH3
  463218.6269  0.0070 -6.5347 3  171.7630440  595161404271117 2    27 820 2      C-13-H3C(O)CH3
  463225.4443  0.0043 -4.7211 3   90.8565164  59516140420 912 3    19 613 3      C-13-H3C(O)CH3
  463225.6657  0.0059 -4.7211 3   90.8565164  59516140420 912 4    19 613 4      C-13-H3C(O)CH3
  463225.7023  0.2102 -6.5741 3 1843.3095E00  595161404873156 0    873157 0      C-13-H3C(O)CH3
  463225.7023  0.2102 -6.5741 3 1843.3095E00  595161404873256 0    873057 0      C-13-H3C(O)CH3
  463238.7689  0.0078 -4.7741 3  434.2869648  595161404402417 1    392514 1      C-13-H3C(O)CH3
  463246.6468  0.0071 -6.5337 3  171.7641440  595161404271017 1    27 720 1      C-13-H3C(O)CH3
  463246.6995  0.0071 -6.5337 3  171.7641440  595161404271117 1    27 820 1      C-13-H3C(O)CH3
  463273.2163  0.0604 -5.5725 3  501.9327444  59516140455 154 3    55 155 3      C-13-H3C(O)CH3
  463273.2163  0.0604 -5.9777 3  501.9327444  59516140455 254 3    55 155 3      C-13-H3C(O)CH3
  463273.2163  0.0604 -5.5725 3  501.9327444  59516140455 254 3    55 055 3      C-13-H3C(O)CH3
  463273.2163  0.0604 -5.9777 3  501.9327444  59516140455 154 3    55 055 3      C-13-H3C(O)CH3
  463274.4484  0.0610 -5.4285 3  501.9327444  59516140455 254 4    55 055 4      C-13-H3C(O)CH3
  463274.4484  0.0610 -5.4285 3  501.9327444  59516140455 154 4    55 155 4      C-13-H3C(O)CH3
  463280.6511  0.0209 -4.9448 3  605.2169936  59516140458 554 0    58 355 0      C-13-H3C(O)CH3
  463280.6511  0.0209 -5.1887 3  605.2169936  59516140458 454 0    58 355 0      C-13-H3C(O)CH3
  463280.6511  0.0209 -5.1887 3  605.2169936  59516140458 554 0    58 455 0      C-13-H3C(O)CH3
  463280.6511  0.0209 -4.9448 3  605.2169936  59516140458 454 0    58 455 0      C-13-H3C(O)CH3
  463295.6315  0.6883 -6.6137 3 1274.6662A96  595161404684127 0    683830 0      C-13-H3C(O)CH3
  463299.7090  0.0069 -4.7735 3  434.3047648  595161404402417 0    392514 0      C-13-H3C(O)CH3
  463312.7435  0.0841 -5.4997 3 1274.7508C08  595161404752055 0    752056 0      C-13-H3C(O)CH3
  463312.7435  0.0841 -5.4997 3 1274.7508C08  595161404752155 0    751956 0      C-13-H3C(O)CH3
  463324.4597  0.0369 -5.1496 3  570.1777920  59516140457 454 1    57 255 1      C-13-H3C(O)CH3
  463324.4597  0.0369 -5.0538 3  570.1777920  59516140457 354 1    57 255 1      C-13-H3C(O)CH3
  463324.4597  0.0369 -5.1496 3  570.1777920  59516140457 354 1    57 355 1      C-13-H3C(O)CH3
  463324.4597  0.0369 -5.0538 3  570.1777920  59516140457 454 1    57 355 1      C-13-H3C(O)CH3
  463324.9403  0.0332 -5.1817 3  570.1773920  59516140457 354 2    57 255 2      C-13-H3C(O)CH3
  463324.9403  0.0332 -5.1817 3  570.1773920  59516140457 454 2    57 355 2      C-13-H3C(O)CH3
  463324.9403  0.0332 -5.0294 3  570.1773920  59516140457 454 2    57 255 2      C-13-H3C(O)CH3
  463324.9403  0.0332 -5.0294 3  570.1773920  59516140457 354 2    57 355 2      C-13-H3C(O)CH3
  463363.1231  0.0975 -5.5134 3 1274.7659C08  595161404752055 1    752056 1      C-13-H3C(O)CH3
  463363.1231  0.0975 -6.5677 3 1274.7659C08  595161404752055 1    751956 1      C-13-H3C(O)CH3
  463363.1231  0.0975 -6.5677 3 1274.7659C08  595161404752155 1    752056 1      C-13-H3C(O)CH3
  463363.1231  0.0975 -5.5134 3 1274.7659C08  595161404752155 1    751956 1      C-13-H3C(O)CH3
  463368.9405  0.0989 -5.5046 3 1274.7665C08  595161404752155 2    751956 2      C-13-H3C(O)CH3
  463368.9405  0.0989 -5.5046 3 1274.7665C08  595161404752055 2    752056 2      C-13-H3C(O)CH3
  463371.5724  0.0823 -6.4895 3  627.2692380  595161404473314 4    473017 4      C-13-H3C(O)CH3
  463398.5369  0.3991 -6.5282 3  956.8479476  595161404593524 3    593227 3      C-13-H3C(O)CH3
  463409.2007  0.3961 -6.5283 3  956.8479476  595161404593524 4    593227 4      C-13-H3C(O)CH3
  463419.4172  0.0682 -6.0655 3 1274.7817604  595161404752055 3    752056 3      C-13-H3C(O)CH3
  463419.4172  0.0682 -6.0923 3 1274.7817604  595161404752155 3    752056 3      C-13-H3C(O)CH3
  463419.4172  0.0682 -6.0923 3 1274.7817604  595161404752055 3    751956 3      C-13-H3C(O)CH3
  463419.4172  0.0682 -6.0655 3 1274.7817604  595161404752155 3    751956 3      C-13-H3C(O)CH3
  463419.5546  0.0683 -5.8103 3 1274.7817604  595161404752155 4    751956 4      C-13-H3C(O)CH3
  463419.5546  0.0683 -5.8103 3 1274.7817604  595161404752055 4    752056 4      C-13-H3C(O)CH3
  463429.5919  0.0390 -5.7481 3  466.7222332  595161404412714 4    402813 4      C-13-H3C(O)CH3
  463492.4772  0.0045 -4.4193 3   90.8263328 -59516140420 812 2    19 713 2      C-13-H3C(O)CH3
  463503.4685  0.0045 -4.4192 3   90.8263328  59516140420 912 2    19 613 2      C-13-H3C(O)CH3
  463504.4921  0.0031 -4.3627 3  328.8180308 -595161404381227 4    371126 4      C-13-H3C(O)CH3
  463504.4921  0.0030 -5.4411 3  328.8180308 -595161404381227 3    371126 3      C-13-H3C(O)CH3
  463504.4921  0.0031 -4.3515 3  328.8180308 -595161404381127 4    371226 4      C-13-H3C(O)CH3
  463504.4921  0.0030 -5.4452 3  328.8180308 -595161404381127 3    371226 3      C-13-H3C(O)CH3
  463504.5135  0.0031 -3.9050 3  328.8180308  595161404381227 4    371226 4      C-13-H3C(O)CH3
  463504.5135  0.0031 -3.9010 3  328.8180308  595161404381127 4    371126 4      C-13-H3C(O)CH3
  463504.6041  0.0030 -3.7816 3  328.8180308  595161404381127 3    371126 3      C-13-H3C(O)CH3
  463504.6041  0.0030 -3.7815 3  328.8180308  595161404381227 3    371226 3      C-13-H3C(O)CH3
  463516.0626  0.0044 -4.4194 3   90.8275328  59516140420 812 1    19 713 1      C-13-H3C(O)CH3
  463526.6939  0.0044 -4.4194 3   90.8275328  59516140420 912 1    19 613 1      C-13-H3C(O)CH3
  463532.3063  0.0102 -5.9551 3  339.0445584  595161404361818 2    361521 2      C-13-H3C(O)CH3
  463533.8515  0.0033 -5.1586 3  328.8425616 -595161404381227 1    371126 1      C-13-H3C(O)CH3
  463533.8515  0.0033 -5.0730 3  328.8425616 -595161404381127 1    371226 1      C-13-H3C(O)CH3
  463533.8736  0.0033 -3.4802 3  328.8425616  595161404381127 1    371126 1      C-13-H3C(O)CH3
  463533.8736  0.0033 -3.4822 3  328.8425616  595161404381227 1    371226 1      C-13-H3C(O)CH3
  463536.2213  0.0033 -3.4714 3  328.8412616 -595161404381127 2    371226 2      C-13-H3C(O)CH3
  463536.2213  0.0033 -5.3237 3  328.8412616 -595161404381227 2    371126 2      C-13-H3C(O)CH3
  463536.2248  0.0033 -3.4790 3  328.8412616  595161404381227 2    371226 2      C-13-H3C(O)CH3
  463538.4319  0.0027 -3.8809 3  363.5321372  59516140446 244 3    45 243 3      C-13-H3C(O)CH3
  463538.4319  0.0027 -3.8809 3  363.5321372  59516140446 344 3    45 343 3      C-13-H3C(O)CH3
  463538.4437  0.0026 -4.9386 3  363.5321372  59516140446 344 4    45 243 4      C-13-H3C(O)CH3
  463538.4437  0.0026 -3.6159 3  363.5321372  59516140446 244 4    45 243 4      C-13-H3C(O)CH3
  463538.4930  0.0027 -3.9132 3  363.5321372 -59516140446 344 3    45 243 3      C-13-H3C(O)CH3
  463538.4930  0.0026 -3.6159 3  363.5321372 -59516140446 344 4    45 343 4      C-13-H3C(O)CH3
  463538.4930  0.0027 -3.9132 3  363.5321372 -59516140446 244 3    45 343 3      C-13-H3C(O)CH3
  463538.4930  0.0026 -4.9386 3  363.5321372 -59516140446 244 4    45 343 4      C-13-H3C(O)CH3
  463555.9752  0.0089 -5.9543 3  339.0722584  595161404361818 0    361521 0      C-13-H3C(O)CH3
  463564.1236  0.0067 -6.5319 3  171.7571440  595161404271017 0    27 720 0      C-13-H3C(O)CH3
  463564.1776  0.0067 -6.5319 3  171.7571440  595161404271117 0    27 820 0      C-13-H3C(O)CH3
  463565.3507  0.0028 -4.8890 3  328.8656616 -595161404381227 0    371126 0      C-13-H3C(O)CH3
  463565.3507  0.0028 -4.9068 3  328.8656616 -595161404381127 0    371226 0      C-13-H3C(O)CH3
  463565.4462  0.0028 -3.4881 3  328.8656616  595161404381127 0    371126 0      C-13-H3C(O)CH3
  463565.4462  0.0028 -3.4874 3  328.8656616  595161404381227 0    371226 0      C-13-H3C(O)CH3
  463566.7376  0.0033 -5.2912 3  363.5061744  59516140446 244 1    45 343 1      C-13-H3C(O)CH3
  463566.7376  0.0033 -3.2990 3  363.5061744  59516140446 344 1    45 343 1      C-13-H3C(O)CH3
  463566.7640  0.0033 -5.2912 3  363.5061744 -59516140446 344 1    45 243 1      C-13-H3C(O)CH3
  463566.7640  0.0032 -4.4052 3  363.5057744 -59516140446 244 2    45 243 2      C-13-H3C(O)CH3
  463566.7640  0.0033 -3.2990 3  363.5061744 -59516140446 244 1    45 243 1      C-13-H3C(O)CH3
  463566.7640  0.0032 -4.4052 3  363.5057744 -59516140446 344 2    45 343 2      C-13-H3C(O)CH3
  463566.7924  0.0032 -3.3297 3  363.5057744  59516140446 344 2    45 243 2      C-13-H3C(O)CH3
  463566.7924  0.0032 -3.3297 3  363.5057744  59516140446 244 2    45 343 2      C-13-H3C(O)CH3
  463570.5359  0.0622 -6.4082 3  576.5392728  595161404453213 2    452917 2      C-13-H3C(O)CH3
  463570.9144  0.0108 -6.2558 3  339.0193292  595161404361818 3    361521 3      C-13-H3C(O)CH3
  463571.2016  0.0109 -6.2558 3  339.0193292  595161404361818 4    361521 4      C-13-H3C(O)CH3
  463594.3845  0.0100 -5.9543 3  339.0471584  595161404361818 1    361521 1      C-13-H3C(O)CH3
  463594.9731  0.0026 -4.1020 3  363.4798744 -59516140446 344 0    45 243 0      C-13-H3C(O)CH3
  463594.9731  0.0026 -3.3681 3  363.4798744 -59516140446 244 0    45 243 0      C-13-H3C(O)CH3
  463594.9731  0.0026 -3.3127 3  363.4798744 -59516140446 344 0    45 343 0      C-13-H3C(O)CH3
  463594.9731  0.0026 -4.6827 3  363.4798744 -59516140446 244 0    45 343 0      C-13-H3C(O)CH3
  463639.0944  0.8396 -6.4238 3 1041.5364984  595161404614021 2    613724 2      C-13-H3C(O)CH3
  463661.9907  0.0102 -5.9549 3  339.0445584  595161404361918 2    361621 2      C-13-H3C(O)CH3
  463681.4152  0.0089 -5.9542 3  339.0722584  595161404361918 0    361621 0      C-13-H3C(O)CH3
  463687.6585  0.0225 -4.4593 3  352.5089584  595161404362214 2    352313 2      C-13-H3C(O)CH3
  463695.1307  0.0216 -5.0794 3  549.1594712  595161404443114 2    433212 2      C-13-H3C(O)CH3
  463700.8250  0.0106 -6.2556 3  339.0193292  595161404361918 3    361621 3      C-13-H3C(O)CH3
  463700.8351  0.0108 -6.2556 3  339.0193292  595161404361918 4    361621 4      C-13-H3C(O)CH3
  463710.6487  0.0539 -4.9208 3  535.7279904  59516140456 354 2    56 255 2      C-13-H3C(O)CH3
  463710.6487  0.0539 -6.2009 3  535.7279904  59516140456 354 2    56 155 2      C-13-H3C(O)CH3
  463710.6487  0.0539 -6.2009 3  535.7279904  59516140456 254 2    56 255 2      C-13-H3C(O)CH3
  463710.6487  0.0539 -4.9208 3  535.7279904  59516140456 254 2    56 155 2      C-13-H3C(O)CH3
  463710.7132  0.5354 -6.4738 3 1163.7968A48  595161404653926 1    653629 1      C-13-H3C(O)CH3
  463711.1940  0.0579 -5.5735 3  535.7283904  59516140456 254 1    56 255 1      C-13-H3C(O)CH3
  463711.1940  0.0579 -5.5735 3  535.7283904  59516140456 354 1    56 155 1      C-13-H3C(O)CH3
  463711.1940  0.0579 -5.0019 3  535.7283904  59516140456 354 1    56 255 1      C-13-H3C(O)CH3
  463711.1940  0.0579 -5.0019 3  535.7283904  59516140456 254 1    56 155 1      C-13-H3C(O)CH3
  463716.9438  0.5507 -6.4175 3 1041.5332984  595161404614021 1    613724 1      C-13-H3C(O)CH3
  463720.0072  0.0100 -5.9542 3  339.0471584  595161404361918 1    361621 1      C-13-H3C(O)CH3
  463776.1806  0.0201 -5.0797 3  549.1639712  595161404443114 0    433211 0      C-13-H3C(O)CH3
  463790.8915  0.0238 -5.3803 3  549.1394356  595161404443114 4    433212 4      C-13-H3C(O)CH3
  463793.0690  0.0045 -4.4184 3   90.7974328 -59516140420 812 0    19 713 0      C-13-H3C(O)CH3
  463804.0628  0.0045 -4.4184 3   90.7974328  59516140420 912 0    19 613 0      C-13-H3C(O)CH3
  463805.9278  0.0295 -4.9594 3  570.1623920  59516140457 354 0    57 255 0      C-13-H3C(O)CH3
  463805.9278  0.0295 -5.3024 3  570.1623920  59516140457 354 0    57 355 0      C-13-H3C(O)CH3
  463805.9278  0.0295 -4.9594 3  570.1623920  59516140457 454 0    57 355 0      C-13-H3C(O)CH3
  463805.9278  0.0295 -5.3024 3  570.1623920  59516140457 454 0    57 255 0      C-13-H3C(O)CH3
  463807.9548  0.0202 -5.0796 3  549.1639712  595161404443113 0    433212 0      C-13-H3C(O)CH3
  463837.2195  0.0226 -5.3822 3  549.1669356  595161404443114 3    433212 3      C-13-H3C(O)CH3
  463855.0088  0.0257 -4.7593 3  352.4864292  595161404362214 4    352313 4      C-13-H3C(O)CH3
  463864.9607  0.0268 -4.7595 3  352.4864292  595161404362214 3    352313 3      C-13-H3C(O)CH3
  463883.2522  0.7247 -6.4745 3 1163.8007A48  595161404653926 2    653629 2      C-13-H3C(O)CH3
  463886.4280  0.0214 -5.0797 3  549.1441712  595161404443114 1    433212 1      C-13-H3C(O)CH3
  463929.6562  0.0801 -5.4196 3 1229.8003B92  595161404742055 0    741956 0      C-13-H3C(O)CH3
  463929.6562  0.0801 -5.8829 3 1229.8003B92  595161404741955 0    741856 0      C-13-H3C(O)CH3
  463929.6562  0.0801 -5.6676 3 1229.8003B92  595161404742055 0    741856 0      C-13-H3C(O)CH3
  463936.5001  0.0208 -5.0799 3  549.1715712  595161404443113 1    433211 1      C-13-H3C(O)CH3
  463994.9063  0.0201 -5.0794 3  549.1878712  595161404443113 2    433211 2      C-13-H3C(O)CH3
  463995.7921  0.0946 -5.5367 3 1229.8123B92  595161404742055 1    741956 1      C-13-H3C(O)CH3
  463995.7921  0.0946 -5.9788 3 1229.8123B92  595161404742055 1    741856 1      C-13-H3C(O)CH3
  463995.7921  0.0946 -5.9788 3 1229.8123B92  595161404741955 1    741956 1      C-13-H3C(O)CH3
  463995.7921  0.0946 -5.5367 3 1229.8123B92  595161404741955 1    741856 1      C-13-H3C(O)CH3
  464000.8886  0.0956 -5.6721 3 1229.8127B92  595161404742055 2    741856 2      C-13-H3C(O)CH3
  464000.8886  0.0956 -5.6721 3 1229.8127B92  595161404741955 2    741956 2      C-13-H3C(O)CH3
  464000.8886  0.0956 -5.7379 3 1229.8127B92  595161404742055 2    741956 2      C-13-H3C(O)CH3
  464000.8886  0.0956 -5.7379 3 1229.8127B92  595161404741955 2    741856 2      C-13-H3C(O)CH3
  464022.0445  0.0252 -6.5977 3  382.6772292  5951614043629 8 3    362610 3      C-13-H3C(O)CH3
  464034.3824  0.0790 -6.0086 3  786.0945856  595161404533519 0    533222 0      C-13-H3C(O)CH3
  464053.2925  0.0169 -4.4563 3  352.5294584  595161404362214 0    352313 0      C-13-H3C(O)CH3
  464067.1340  0.0649 -5.7264 3 1229.8247596  595161404742055 3    741856 3      C-13-H3C(O)CH3
  464067.1340  0.0649 -5.7045 3 1229.8247596  595161404741955 3    741956 3      C-13-H3C(O)CH3
  464067.2951  0.0650 -6.2121 3 1229.8247596  595161404742055 4    741956 4      C-13-H3C(O)CH3
  464067.2951  0.0650 -6.2121 3 1229.8247596  595161404741955 4    741856 4      C-13-H3C(O)CH3
  464067.2951  0.0650 -5.8649 3 1229.8247596  595161404742055 4    741856 4      C-13-H3C(O)CH3
  464067.2951  0.0650 -5.8649 3 1229.8247596  595161404741955 4    741956 4      C-13-H3C(O)CH3
  464069.4151  0.0317 -5.9026 3  752.9254808  5951614045041 9 1    4942 7 1      C-13-H3C(O)CH3
  464088.8339  0.0201 -5.3820 3  549.1679356  595161404443113 3    433211 3      C-13-H3C(O)CH3
  464090.8914  0.0864 -5.1319 3  501.8673888  59516140455 254 2    55 155 2      C-13-H3C(O)CH3
  464090.8914  0.0864 -5.1319 3  501.8673888  59516140455 154 2    55 055 2      C-13-H3C(O)CH3
  464093.2302  0.0902 -5.1359 3  501.8676888  59516140455 154 1    55 055 1      C-13-H3C(O)CH3
  464093.2302  0.0902 -5.1359 3  501.8676888  59516140455 254 1    55 155 1      C-13-H3C(O)CH3
  464100.4035  0.1743 -6.3975 3 1791.5018D84  595161404863156 1    863057 1      C-13-H3C(O)CH3
  464100.4035  0.1743 -6.3975 3 1791.5018D84  595161404863056 1    862957 1      C-13-H3C(O)CH3
  464137.1025  0.0218 -5.3805 3  549.1954356  595161404443113 4    433211 4      C-13-H3C(O)CH3
  464150.6655  0.1836 -6.6033 3 1791.4915D84  595161404863056 0    863057 0      C-13-H3C(O)CH3
  464150.6655  0.1836 -6.6033 3 1791.4915D84  595161404863156 0    862957 0      C-13-H3C(O)CH3
  464157.5796  0.2785 -6.2289 3  956.8409952  595161404593524 1    593227 1      C-13-H3C(O)CH3
  464171.9037  0.4128 -6.2291 3  956.8421952  595161404593524 2    593227 2      C-13-H3C(O)CH3
  464175.7580  0.0298 -5.9019 3  752.8942808  5951614045041 9 0    4942 8 0      C-13-H3C(O)CH3
  464175.7580  0.0298 -5.9019 3  752.8942808  595161404504110 0    4942 7 0      C-13-H3C(O)CH3
  464204.4987  0.0619 -6.2615 3  491.6549340  595161404422815 4    412912 4      C-13-H3C(O)CH3
  464209.3819  0.0271 -6.6008 3  382.6599292  5951614043629 8 4    362611 4      C-13-H3C(O)CH3
  464218.1264  0.0100 -5.5054 3   84.8945296  5951614041814 5 1    1711 7 1      C-13-H3C(O)CH3
  464218.5434  0.0185 -4.4554 3  352.5070584  595161404362214 1    352313 1      C-13-H3C(O)CH3
  464219.3032  0.0399 -6.2044 3  752.9433404  5951614045041 9 4    4942 7 4      C-13-H3C(O)CH3
  464235.7011  0.0198 -6.1915 3  174.2626408  5951614042519 6 2    2418 7 2      C-13-H3C(O)CH3
  464307.6095  0.0232 -6.3002 3  382.6828584  5951614043629 8 1    362611 1      C-13-H3C(O)CH3
  464311.7596  0.0349 -5.9024 3  752.8972808  595161404504110 1    4942 8 1      C-13-H3C(O)CH3
  464324.0976  0.0324 -5.9027 3  752.9123808  5951614045041 9 2    4942 7 2      C-13-H3C(O)CH3
  464347.7474  0.0472 -5.1170 3  535.6908904  59516140456 354 0    56 255 0      C-13-H3C(O)CH3
  464347.7474  0.0472 -5.1170 3  535.6908904  59516140456 254 0    56 155 0      C-13-H3C(O)CH3
  464347.7474  0.0472 -5.2979 3  535.6908904  59516140456 254 0    56 255 0      C-13-H3C(O)CH3
  464347.7474  0.0472 -5.2979 3  535.6908904  59516140456 354 0    56 155 0      C-13-H3C(O)CH3
  464351.9887  0.0284 -6.5951 3  382.6837292  5951614043629 7 4    362610 4      C-13-H3C(O)CH3
  464420.0346  0.3993 -6.3465 3 1057.8478A00  595161404623725 1    623428 1      C-13-H3C(O)CH3
  464420.8217  0.0385 -6.2035 3  752.9330404  5951614045041 9 3    4942 7 3      C-13-H3C(O)CH3
  464426.3463  0.0235 -6.2974 3  382.7081584  5951614043629 7 2    362610 2      C-13-H3C(O)CH3
  464436.6350  0.0712 -6.0961 3  786.0957856  595161404533519 1    533222 1      C-13-H3C(O)CH3
  464461.4235  0.0416 -6.2042 3  752.9152404  595161404504110 3    4942 8 3      C-13-H3C(O)CH3
  464484.2547  0.0030 -5.6171 3  180.4502212  595161404261710 4    251610 4      C-13-H3C(O)CH3
  464488.3654  0.0031 -3.7527 3  336.5842316  595161404391029 4    381128 4      C-13-H3C(O)CH3
  464488.3654  0.0031 -5.2958 3  336.5842316  595161404391129 4    381128 4      C-13-H3C(O)CH3
  464488.3971  0.0031 -5.8166 3  336.5842316 -595161404391029 4    381028 4      C-13-H3C(O)CH3
  464488.3971  0.0030 -3.7533 3  336.5842316 -595161404391129 3    381128 3      C-13-H3C(O)CH3
  464488.3971  0.0030 -5.7535 3  336.5842316 -595161404391029 3    381128 3      C-13-H3C(O)CH3
  464488.3971  0.0031 -3.7615 3  336.5842316 -595161404391129 4    381028 4      C-13-H3C(O)CH3
  464488.4501  0.0030 -3.7533 3  336.5842316  595161404391029 3    381028 3      C-13-H3C(O)CH3
  464488.4501  0.0030 -5.7535 3  336.5842316  595161404391129 3    381028 3      C-13-H3C(O)CH3
  464492.7901  0.5512 -6.4763 3 1163.7892A48  595161404653926 0    653629 0      C-13-H3C(O)CH3
  464495.1031  0.0182 -6.3759 3  174.2483408  5951614042519 6 1    2418 7 1      C-13-H3C(O)CH3
  464518.7839  0.0034 -3.5710 3  336.6077632 -595161404391029 1    381128 1      C-13-H3C(O)CH3
  464518.7839  0.0034 -4.0560 3  336.6077632 -595161404391129 1    381128 1      C-13-H3C(O)CH3
  464518.7977  0.0034 -4.0560 3  336.6077632  595161404391029 1    381028 1      C-13-H3C(O)CH3
  464518.7977  0.0034 -3.5710 3  336.6077632  595161404391129 1    381028 1      C-13-H3C(O)CH3
  464520.5479  0.0034 -3.8691 3  336.6066632  595161404391029 2    381028 2      C-13-H3C(O)CH3
  464520.5479  0.0034 -3.6551 3  336.6066632  595161404391129 2    381028 2      C-13-H3C(O)CH3
  464520.5852  0.0034 -3.6551 3  336.6066632 -595161404391029 2    381128 2      C-13-H3C(O)CH3
  464520.5852  0.0034 -3.8691 3  336.6066632 -595161404391129 2    381128 2      C-13-H3C(O)CH3
  464521.0157  0.5641 -6.3469 3 1057.8503A00  595161404623725 2    623428 2      C-13-H3C(O)CH3
  464524.9013  0.0750 -5.3492 3 1185.4266B76  595161404731955 0    731756 0      C-13-H3C(O)CH3
  464524.9013  0.0750 -5.3490 3 1185.4266B76  595161404731855 0    731856 0      C-13-H3C(O)CH3
  464526.0154  0.0324 -5.9018 3  752.9018808  595161404504110 2    4942 8 2      C-13-H3C(O)CH3
  464535.4713  0.0925 -6.1204 3  786.0946856  595161404533519 2    533222 2      C-13-H3C(O)CH3
  464542.0168  0.0260 -6.5996 3  382.6664292  5951614043629 7 3    362611 3      C-13-H3C(O)CH3
  464550.8473  0.0028 -3.5732 3  336.6300632  595161404391029 0    381028 0      C-13-H3C(O)CH3
  464550.8473  0.0028 -3.5819 3  336.6300632  595161404391129 0    381128 0      C-13-H3C(O)CH3
  464550.9306  0.0028 -4.0243 3  336.6300632 -595161404391029 0    381128 0      C-13-H3C(O)CH3
  464550.9306  0.0028 -4.0494 3  336.6300632 -595161404391129 0    381028 0      C-13-H3C(O)CH3
  464576.5301  0.0099 -5.5180 3   84.8937296  5951614041814 5 2    1711 7 2      C-13-H3C(O)CH3
  464587.9467  0.0124 -6.0031 3   84.9190148  5951614041814 5 3    1711 7 3      C-13-H3C(O)CH3
  464600.3388  0.0224 -6.3769 3  362.6780584  595161404362511 1    362016 1      C-13-H3C(O)CH3
  464606.3231  0.0895 -6.1259 3 1185.4348B76  595161404731955 1    731756 1      C-13-H3C(O)CH3
  464606.3231  0.0895 -5.4071 3 1185.4348B76  595161404731855 1    731756 1      C-13-H3C(O)CH3
  464606.3231  0.0895 -6.1259 3 1185.4348B76  595161404731855 1    731856 1      C-13-H3C(O)CH3
  464606.3231  0.0895 -5.4071 3 1185.4348B76  595161404731955 1    731856 1      C-13-H3C(O)CH3
  464609.4483  0.0029 -5.7077 3  180.4594424  595161404261710 1    251610 1      C-13-H3C(O)CH3
  464610.5987  0.0903 -5.7577 3 1185.4350B76  595161404731955 2    731756 2      C-13-H3C(O)CH3
  464610.5987  0.0903 -5.5349 3 1185.4350B76  595161404731855 2    731756 2      C-13-H3C(O)CH3
  464610.5987  0.0903 -5.5349 3 1185.4350B76  595161404731955 2    731856 2      C-13-H3C(O)CH3
  464610.5987  0.0903 -5.7577 3 1185.4350B76  595161404731855 2    731856 2      C-13-H3C(O)CH3
  464618.2489  0.0229 -6.3012 3  382.6908584  5951614043629 8 2    362611 2      C-13-H3C(O)CH3
  464633.0382  0.0239 -6.2982 3  382.6894584  5951614043629 7 1    362610 1      C-13-H3C(O)CH3
  464662.0067  0.0422 -6.2033 3  752.9047404  595161404504110 4    4942 8 4      C-13-H3C(O)CH3
  464664.6733  0.0033 -3.5778 3  366.3676380  59516140447 246 3    46 145 3      C-13-H3C(O)CH3
  464664.6733  0.0033 -3.5778 3  366.3676380  59516140447 146 3    46 245 3      C-13-H3C(O)CH3
  464664.6884  0.0032 -3.5778 3  366.3676380  59516140447 246 4    46 245 4      C-13-H3C(O)CH3
  464664.6884  0.0032 -3.5778 3  366.3676380  59516140447 146 4    46 145 4      C-13-H3C(O)CH3
  464664.9320  0.0028 -6.1715 3  180.4577424  595161404261710 2    251610 2      C-13-H3C(O)CH3
  464683.6283  0.0040 -3.4049 3  366.3242760 -59516140447 246 1    46 245 1      C-13-H3C(O)CH3
  464683.6283  0.0037 -3.2782 3  366.3238760 -59516140447 246 2    46 145 2      C-13-H3C(O)CH3
  464683.6283  0.0040 -3.8685 3  366.3242760 -59516140447 146 1    46 245 1      C-13-H3C(O)CH3
  464683.6283  0.0037 -3.2782 3  366.3238760 -59516140447 146 2    46 245 2      C-13-H3C(O)CH3
  464683.6548  0.0040 -3.4049 3  366.3242760  59516140447 146 1    46 145 1      C-13-H3C(O)CH3
  464683.6548  0.0040 -3.8685 3  366.3242760  59516140447 246 1    46 145 1      C-13-H3C(O)CH3
  464683.7021  0.0037 -5.6817 3  366.3238760  59516140447 146 2    46 145 2      C-13-H3C(O)CH3
  464683.7021  0.0037 -5.6817 3  366.3238760  59516140447 246 2    46 245 2      C-13-H3C(O)CH3
  464688.8760  0.0187 -6.3536 3  362.6991584  595161404362511 0    362016 0      C-13-H3C(O)CH3
  464690.1312  0.0138 -4.0529 3  291.9336536  595161404331914 2    322013 2      C-13-H3C(O)CH3
  464692.0663  0.0593 -5.9427 3  744.4114840  595161404523221 0    522924 0      C-13-H3C(O)CH3
  464692.1413  0.0615 -5.6496 3 1185.4432588  595161404731855 3    731756 3      C-13-H3C(O)CH3
  464692.1413  0.0615 -5.6496 3 1185.4432588  595161404731955 3    731856 3      C-13-H3C(O)CH3
  464692.3234  0.0615 -5.6882 3 1185.4432588  595161404731955 4    731756 4      C-13-H3C(O)CH3
  464692.3234  0.0615 -5.6882 3 1185.4432588  595161404731855 4    731856 4      C-13-H3C(O)CH3
  464692.3234  0.0615 -6.5476 3 1185.4432588  595161404731855 4    731756 4      C-13-H3C(O)CH3
  464692.3234  0.0615 -6.5476 3 1185.4432588  595161404731955 4    731856 4      C-13-H3C(O)CH3
  464701.1828  0.0229 -6.2989 3  382.7140584  5951614043629 7 0    362610 0      C-13-H3C(O)CH3
  464702.6294  0.0031 -5.8291 3  366.2804760  59516140447 146 0    46 145 0      C-13-H3C(O)CH3
  464702.6294  0.0031 -5.8291 3  366.2804760  59516140447 246 0    46 245 0      C-13-H3C(O)CH3
  464702.6424  0.0031 -3.2776 3  366.2804760 -59516140447 246 0    46 145 0      C-13-H3C(O)CH3
  464702.6424  0.0031 -3.2776 3  366.2804760 -59516140447 146 0    46 245 0      C-13-H3C(O)CH3
  464713.0420  0.0867 -6.4792 3  786.0955428  595161404533519 4    533222 4      C-13-H3C(O)CH3
  464729.9225  0.0229 -6.2989 3  382.7131584  5951614043629 8 0    362611 0      C-13-H3C(O)CH3
  464803.4715  0.0496 -5.6664 3  491.6562680  595161404422815 2    412912 2      C-13-H3C(O)CH3
  464830.5573  0.0179 -4.3523 3  291.9145268  595161404331914 3    322013 3      C-13-H3C(O)CH3
  464840.9805  0.0152 -4.3521 3  291.9144268  595161404331914 4    322013 4      C-13-H3C(O)CH3
  464873.3458  0.0297 -6.0415 3  507.2173680  595161404423111 0    422814 0      C-13-H3C(O)CH3
  464880.2778  0.0121 -5.7163 3   84.9190148  5951614041814 4 3    1711 7 3      C-13-H3C(O)CH3
  464901.5837  0.0579 -5.9424 3  744.4071840  595161404523221 1    522924 1      C-13-H3C(O)CH3
  464908.0361  0.0116 -4.0519 3  291.9559536  595161404331914 0    322013 0      C-13-H3C(O)CH3
  464908.8693  0.0753 -5.1246 3  501.8023888  59516140455 254 0    55 155 0      C-13-H3C(O)CH3
  464908.8693  0.0753 -5.1246 3  501.8023888  59516140455 154 0    55 055 0      C-13-H3C(O)CH3
  464927.6210  0.2895 -6.2307 3  956.8351952  595161404593524 0    593227 0      C-13-H3C(O)CH3
  464928.0018  0.0463 -5.9427 3  744.4057840  595161404523221 2    522924 2      C-13-H3C(O)CH3
  464947.4345  0.1193 -6.5947 3 1740.2673684  595161404852956 3    852857 3      C-13-H3C(O)CH3
  464947.4345  0.1193 -6.5947 3 1740.2673684  595161404853056 3    852957 3      C-13-H3C(O)CH3
  464994.1878  0.1489 -6.2960 3 1740.2507D68  595161404852956 1    852957 1      C-13-H3C(O)CH3
  464994.1878  0.1489 -6.2960 3 1740.2507D68  595161404853056 1    852857 1      C-13-H3C(O)CH3
  464995.7709  0.1426 -6.3093 3 1740.2543D68  595161404853056 2    852957 2      C-13-H3C(O)CH3
  464995.7709  0.1426 -6.3093 3 1740.2543D68  595161404852956 2    852857 2      C-13-H3C(O)CH3
  465042.4997  0.1597 -6.5442 3 1740.2377D68  595161404852956 0    852857 0      C-13-H3C(O)CH3
  465042.4997  0.1597 -6.5442 3 1740.2377D68  595161404853056 0    852957 0      C-13-H3C(O)CH3
  465046.7345  0.0138 -4.0502 3  291.9369536  595161404331914 1    322013 1      C-13-H3C(O)CH3
  465051.7523  0.0060 -4.1666 3  121.9178360  595161404221210 2    211111 2      C-13-H3C(O)CH3
  465056.0016  0.0066 -4.4680 3  121.9319180  595161404221210 3    211111 3      C-13-H3C(O)CH3
  465066.9391  0.0072 -4.0874 3  254.1963252  595161404311814 4    301713 4      C-13-H3C(O)CH3
  465075.0768  0.0086 -4.4680 3  121.9319180  595161404221210 4    211111 4      C-13-H3C(O)CH3
  465079.7409  0.0094 -4.0875 3  254.1959252  595161404311814 3    301713 3      C-13-H3C(O)CH3
  465083.1925  0.0074 -3.7866 3  254.2183504 -595161404311814 1    301713 1      C-13-H3C(O)CH3
  465087.0813  0.0172 -6.2568 3  380.7259600  595161404372512 0    372017 0      C-13-H3C(O)CH3
  465100.0599  0.0688 -6.1182 3 1141.6305B60  595161404721855 0    721756 0      C-13-H3C(O)CH3
  465100.0599  0.0688 -5.3274 3 1141.6305B60  595161404721855 0    721656 0      C-13-H3C(O)CH3
  465100.0599  0.0688 -5.3274 3 1141.6305B60  595161404721755 0    721756 0      C-13-H3C(O)CH3
  465100.0599  0.0688 -6.1182 3 1141.6305B60  595161404721755 0    721656 0      C-13-H3C(O)CH3
  465115.4770  0.0363 -6.2437 3  744.4014420  595161404523221 4    522924 4      C-13-H3C(O)CH3
  465136.2635  0.0191 -6.2627 3  380.7033600  595161404372512 1    372017 1      C-13-H3C(O)CH3
  465154.4485  0.3994 -6.5506 3  860.6981904  595161404563323 2    553620 2      C-13-H3C(O)CH3
  465163.8574  0.0541 -5.9845 3  704.2259808  595161404503417 0    503120 0      C-13-H3C(O)CH3
  465165.0369  0.0377 -6.2433 3  744.4014420  595161404523221 3    522924 3      C-13-H3C(O)CH3
  465182.2382  0.0304 -6.1602 3  507.2101680  595161404423111 1    422814 1      C-13-H3C(O)CH3
  465195.6057  0.0827 -5.2684 3 1141.6343B60  595161404721855 1    721756 1      C-13-H3C(O)CH3
  465195.6057  0.0827 -5.2775 3 1141.6343B60  595161404721755 1    721656 1      C-13-H3C(O)CH3
  465195.9172  0.0057 -4.1663 3  121.9069360 -595161404221210 0    211111 0      C-13-H3C(O)CH3
  465199.0120  0.0832 -5.4314 3 1141.6343B60  595161404721755 2    721656 2      C-13-H3C(O)CH3
  465199.0120  0.0832 -5.7530 3 1141.6343B60  595161404721755 2    721756 2      C-13-H3C(O)CH3
  465199.0120  0.0832 -5.4314 3 1141.6343B60  595161404721855 2    721756 2      C-13-H3C(O)CH3
  465199.0120  0.0832 -5.7530 3 1141.6343B60  595161404721855 2    721656 2      C-13-H3C(O)CH3
  465200.7974  0.0366 -6.5015 3  507.2038340  595161404423111 3    422814 3      C-13-H3C(O)CH3
  465208.1911  0.0059 -4.1666 3  121.9210360  595161404221210 1    211111 1      C-13-H3C(O)CH3
  465208.6539  0.0223 -5.2989 3  610.5615744  595161404463413 0    453510 0      C-13-H3C(O)CH3
  465209.1006  0.0223 -5.2989 3  610.5615744  595161404463412 0    453511 0      C-13-H3C(O)CH3
  465234.2745  0.0291 -5.0778 3  438.1224324  595161404402516 4    392613 4      C-13-H3C(O)CH3
  465236.8901  0.4130 -6.3488 3 1057.8402A00  595161404623725 0    623428 0      C-13-H3C(O)CH3
  465275.3953  0.2692 -6.5341 3  860.6963904  595161404563323 1    553620 1      C-13-H3C(O)CH3
  465277.5243  0.0552 -6.2096 3  704.2257808  595161404503417 1    503120 1      C-13-H3C(O)CH3
  465290.1087  0.0229 -5.2984 3  610.5660744  595161404463413 2    453511 2      C-13-H3C(O)CH3
  465294.6881  0.0578 -6.4914 3 1141.6382580  595161404721855 3    721656 3      C-13-H3C(O)CH3
  465294.6881  0.0578 -5.6173 3 1141.6382580  595161404721855 3    721756 3      C-13-H3C(O)CH3
  465294.6881  0.0578 -6.4914 3 1141.6382580  595161404721755 3    721756 3      C-13-H3C(O)CH3
  465294.6881  0.0578 -5.6173 3 1141.6382580  595161404721755 3    721656 3      C-13-H3C(O)CH3
  465294.8866  0.0579 -5.6271 3 1141.6382580  595161404721855 4    721656 4      C-13-H3C(O)CH3
  465294.8866  0.0579 -6.4248 3 1141.6382580  595161404721755 4    721656 4      C-13-H3C(O)CH3
  465294.8866  0.0579 -5.8088 3 1141.6382580  595161404721855 4    721756 4      C-13-H3C(O)CH3
  465294.8866  0.0579 -5.9269 3 1141.6382580  595161404721755 4    721756 4      C-13-H3C(O)CH3
  465306.6016  0.0069 -3.7868 3  254.2050504 -595161404311814 2    301713 2      C-13-H3C(O)CH3
  465311.9428  0.0061 -3.7869 3  254.2274504 -595161404311814 0    301713 0      C-13-H3C(O)CH3
  465313.7289  0.0311 -5.4401 3  491.6374680  595161404422815 1    412912 1      C-13-H3C(O)CH3
  465322.6611  0.0646 -6.0349 3  679.9535792  595161404493415 0    493118 0      C-13-H3C(O)CH3
  465336.6667  0.0301 -6.1088 3  507.2223680  595161404423111 2    422814 2      C-13-H3C(O)CH3
  465337.2961  0.0244 -5.2992 3  610.5772744  595161404463412 1    453510 1      C-13-H3C(O)CH3
  465338.9119  0.3959 -6.2958 3  975.8814952  595161404593920 0    593623 0      C-13-H3C(O)CH3
  465362.3257  0.1074 -6.0268 3  839.6066888  595161404553521 0    553224 0      C-13-H3C(O)CH3
  465370.9695  0.0226 -5.2988 3  610.5482744  595161404463413 1    453511 1      C-13-H3C(O)CH3
  465379.5746  0.0311 -6.5062 3  362.6677584  595161404362511 2    362016 2      C-13-H3C(O)CH3
  465384.6632  0.0656 -6.4019 3  679.9513792  595161404493416 1    493118 1      C-13-H3C(O)CH3
  465396.8612  0.0219 -4.7442 3  438.1356648  595161404402516 2    392613 2      C-13-H3C(O)CH3
  465416.8174  0.0267 -5.6294 3  610.5817372  595161404463413 3    453510 3      C-13-H3C(O)CH3
  465437.8857  0.0450 -5.5970 3  491.6316340  595161404422815 3    412912 3      C-13-H3C(O)CH3
  465445.7190  0.0713 -6.2187 3  704.2252808  595161404503417 2    503120 2      C-13-H3C(O)CH3
  465447.0964  0.0300 -6.3739 3  507.2216340  595161404423111 4    422814 4      C-13-H3C(O)CH3
  465451.5032  0.0245 -5.5994 3  610.5526372  595161404463413 4    453511 4      C-13-H3C(O)CH3
  465474.1682  0.0830 -6.4769 3  963.0271968  595161404603129 0    593426 0      C-13-H3C(O)CH3
  465502.2310  0.0244 -5.2988 3  610.5868744  595161404463412 2    453510 2      C-13-H3C(O)CH3
  465510.4226  0.0189 -5.0182 3  438.1141324  595161404402516 3    392613 3      C-13-H3C(O)CH3
  465510.5050  0.0030 -5.7585 3  343.7942324  595161404401031 4    39 930 4      C-13-H3C(O)CH3
  465510.5050  0.0030 -3.7317 3  343.7942324  59516140440 931 4    39 930 4      C-13-H3C(O)CH3
  465510.5599  0.0030 -3.7614 3  343.7942324 -59516140440 931 3    39 930 3      C-13-H3C(O)CH3
  465510.5599  0.0030 -5.7585 3  343.7942324 -59516140440 931 4    391030 4      C-13-H3C(O)CH3
  465510.5599  0.0030 -3.7317 3  343.7942324 -595161404401031 4    391030 4      C-13-H3C(O)CH3
  465510.5599  0.0030 -4.8546 3  343.7942324 -595161404401031 3    39 930 3      C-13-H3C(O)CH3
  465510.5839  0.0030 -3.7614 3  343.7942324  595161404401031 3    391030 3      C-13-H3C(O)CH3
  465510.5839  0.0030 -4.8546 3  343.7942324  59516140440 931 3    391030 3      C-13-H3C(O)CH3
  465519.6385  0.0775 -6.5253 3  704.2240404  595161404503417 4    503120 4      C-13-H3C(O)CH3
  465536.7530  0.1168 -6.3232 3  786.0962428  595161404533519 3    533222 3      C-13-H3C(O)CH3
  465542.3508  0.0034 -3.6888 3  343.8161648 -595161404401031 1    391030 1      C-13-H3C(O)CH3
  465542.3508  0.0034 -3.6888 3  343.8161648 -59516140440 931 1    39 930 1      C-13-H3C(O)CH3
  465542.3807  0.0034 -3.7705 3  343.8161648  59516140440 931 1    391030 1      C-13-H3C(O)CH3
  465542.3807  0.0034 -3.7705 3  343.8161648  595161404401031 1    39 930 1      C-13-H3C(O)CH3
  465543.6948  0.0034 -4.3009 3  343.8152648  595161404401031 2    39 930 2      C-13-H3C(O)CH3
  465543.6948  0.0034 -4.3009 3  343.8152648  59516140440 931 2    391030 2      C-13-H3C(O)CH3
  465543.7256  0.0034 -3.4889 3  343.8152648 -595161404401031 2    391030 2      C-13-H3C(O)CH3
  465543.7256  0.0034 -3.4889 3  343.8152648 -59516140440 931 2    39 930 2      C-13-H3C(O)CH3
  465571.7581  0.0841 -6.4751 3  963.0333968  595161404603129 1    593426 1      C-13-H3C(O)CH3
  465575.4365  0.0028 -3.5414 3  343.8371648 -59516140440 931 0    391030 0      C-13-H3C(O)CH3
  465575.4365  0.0028 -3.5414 3  343.8371648 -595161404401031 0    39 930 0      C-13-H3C(O)CH3
  465575.4417  0.0028 -4.0608 3  343.8371648  59516140440 931 0    39 930 0      C-13-H3C(O)CH3
  465575.4417  0.0028 -4.0608 3  343.8371648  595161404401031 0    391030 0      C-13-H3C(O)CH3
  465583.4434  0.0849 -6.4748 3  963.0342968  595161404603129 2    593426 2      C-13-H3C(O)CH3
  465630.4228  0.0304 -5.6001 3  610.6025372  595161404463412 4    453510 4      C-13-H3C(O)CH3
  465635.6948  0.0244 -6.5849 3  380.6731300  595161404372512 3    372017 3      C-13-H3C(O)CH3
  465635.8018  0.0848 -6.4166 3  679.9508792  595161404493416 2    493118 2      C-13-H3C(O)CH3
  465656.8361  0.0617 -5.2382 3 1098.4127B44  595161404711755 0    711556 0      C-13-H3C(O)CH3
  465656.8361  0.0617 -5.1975 3 1098.4127B44  595161404711655 0    711556 0      C-13-H3C(O)CH3
  465656.8361  0.0617 -6.2282 3 1098.4127B44  595161404711755 0    711656 0      C-13-H3C(O)CH3
  465662.8924  0.0259 -5.6294 3  610.5735372  595161404463412 3    453511 3      C-13-H3C(O)CH3
  465676.8321  0.0259 -6.3064 3  380.6958600  595161404372512 2    372017 2      C-13-H3C(O)CH3
  465690.6515  0.0174 -4.8688 3  491.6392680  595161404422815 0    412912 0      C-13-H3C(O)CH3
  465738.7256  0.0124 -4.7149 3  438.1263648  595161404402516 1    392613 1      C-13-H3C(O)CH3
  465762.2841  0.0640 -6.2510 3  872.4086920  595161404573027 0    563324 0      C-13-H3C(O)CH3
  465764.1690  0.0247 -5.3728 3  491.6207340  595161404422815 3    412913 3      C-13-H3C(O)CH3
  465764.5414  0.0742 -5.2030 3 1098.4117B44  595161404711755 1    711656 1      C-13-H3C(O)CH3
  465764.5414  0.0742 -5.2030 3 1098.4117B44  595161404711655 1    711556 1      C-13-H3C(O)CH3
  465767.0824  0.0746 -5.6416 3 1098.4117B44  595161404711755 2    711656 2      C-13-H3C(O)CH3
  465767.0824  0.0746 -5.6416 3 1098.4117B44  595161404711655 2    711556 2      C-13-H3C(O)CH3
  465767.0824  0.0746 -5.3882 3 1098.4117B44  595161404711755 2    711556 2      C-13-H3C(O)CH3
  465767.0824  0.0746 -5.3882 3 1098.4117B44  595161404711655 2    711656 2      C-13-H3C(O)CH3
  465780.0011  0.0098 -4.7049 3  438.1430648  595161404402516 0    392613 0      C-13-H3C(O)CH3
  465800.0939  0.0048 -3.5812 3  368.6689388 -59516140448 048 3    47 047 3      C-13-H3C(O)CH3
  465800.0939  0.0048 -3.5812 3  368.6689388 -59516140448 148 3    47 147 3      C-13-H3C(O)CH3
  465800.1324  0.0048 -3.5595 3  368.6689388  59516140448 148 4    47 047 4      C-13-H3C(O)CH3
  465800.1324  0.0048 -3.5595 3  368.6689388  59516140448 048 4    47 147 4      C-13-H3C(O)CH3
  465800.1423  0.0048 -4.8706 3  368.6689388  59516140448 148 3    47 047 3      C-13-H3C(O)CH3
  465800.1423  0.0048 -4.8706 3  368.6689388  59516140448 048 3    47 147 3      C-13-H3C(O)CH3
  465804.4427  0.0067 -3.2590 3  368.6027776  59516140448 048 1    47 047 1      C-13-H3C(O)CH3
  465804.4427  0.0067 -3.2590 3  368.6027776  59516140448 148 1    47 147 1      C-13-H3C(O)CH3
  465804.6008  0.0062 -3.2597 3  368.6023776  59516140448 148 2    47 147 2      C-13-H3C(O)CH3
  465804.6008  0.0062 -3.2597 3  368.6023776  59516140448 048 2    47 047 2      C-13-H3C(O)CH3
  465804.6062  0.0067 -6.0448 3  368.6027776 -59516140448 148 1    47 047 1      C-13-H3C(O)CH3
  465804.6062  0.0062 -5.7644 3  368.6023776 -59516140448 148 2    47 047 2      C-13-H3C(O)CH3
  465804.6062  0.0067 -6.0448 3  368.6027776 -59516140448 048 1    47 147 1      C-13-H3C(O)CH3
  465804.6062  0.0062 -5.7644 3  368.6023776 -59516140448 048 2    47 147 2      C-13-H3C(O)CH3
  465805.5058  0.0654 -6.2495 3  872.4118920  595161404573027 1    563324 1      C-13-H3C(O)CH3
  465808.8827  0.0051 -3.8036 3  368.5363776  59516140448 048 0    47 147 0      C-13-H3C(O)CH3
  465808.8827  0.0051 -3.4037 3  368.5363776  59516140448 148 0    47 147 0      C-13-H3C(O)CH3
  465808.9567  0.0051 -3.8036 3  368.5363776 -59516140448 148 0    47 047 0      C-13-H3C(O)CH3
  465808.9567  0.0051 -3.4037 3  368.5363776 -59516140448 048 0    47 047 0      C-13-H3C(O)CH3
  465816.1161  0.1091 -6.5140 3 1689.5835676  595161404842956 3    842857 3      C-13-H3C(O)CH3
  465816.1161  0.1091 -6.5140 3 1689.5835676  595161404842856 3    842757 3      C-13-H3C(O)CH3
  465827.2162  0.0208 -4.9435 3  491.6221680  595161404422815 2    412913 2      C-13-H3C(O)CH3
  465830.1450  0.0576 -6.2488 3  872.4114920  595161404573027 2    563324 2      C-13-H3C(O)CH3
  465849.9253  0.0930 -6.0301 3  839.6077888  595161404553521 1    553224 1      C-13-H3C(O)CH3
  465857.4957  0.1279 -6.2391 3 1689.5647D52  595161404842956 1    842857 1      C-13-H3C(O)CH3
  465857.4957  0.1279 -6.2391 3 1689.5647D52  595161404842856 1    842757 1      C-13-H3C(O)CH3
  465860.7419  0.1250 -6.2597 3 1689.5681D52  595161404842956 2    842857 2      C-13-H3C(O)CH3
  465860.7419  0.1250 -6.2597 3 1689.5681D52  595161404842856 2    842757 2      C-13-H3C(O)CH3
  465867.5280  0.0581 -6.5484 3  872.4148460  595161404573027 3    563324 3      C-13-H3C(O)CH3
  465874.5557  0.0584 -6.5484 3  872.4146460  595161404573027 4    563324 4      C-13-H3C(O)CH3
  465874.9252  0.0541 -5.8032 3 1098.4107572  595161404711755 3    711656 3      C-13-H3C(O)CH3
  465874.9252  0.0541 -5.7917 3 1098.4107572  595161404711655 3    711656 3      C-13-H3C(O)CH3
  465874.9252  0.0541 -5.7917 3 1098.4107572  595161404711755 3    711556 3      C-13-H3C(O)CH3
  465874.9252  0.0541 -5.8032 3 1098.4107572  595161404711655 3    711556 3      C-13-H3C(O)CH3
  465875.1332  0.0541 -5.5900 3 1098.4106572  595161404711655 4    711656 4      C-13-H3C(O)CH3
  465875.1332  0.0541 -6.2089 3 1098.4106572  595161404711655 4    711556 4      C-13-H3C(O)CH3
  465875.1332  0.0541 -5.5900 3 1098.4106572  595161404711755 4    711556 4      C-13-H3C(O)CH3
  465875.1332  0.0541 -6.2089 3 1098.4106572  595161404711755 4    711656 4      C-13-H3C(O)CH3
  465902.1096  0.1394 -6.1998 3 1689.5493D52  595161404842956 0    842857 0      C-13-H3C(O)CH3
  465902.1096  0.1394 -6.1998 3 1689.5493D52  595161404842856 0    842757 0      C-13-H3C(O)CH3
  465909.9680  0.1033 -6.0314 3  839.6070888  595161404553521 2    553224 2      C-13-H3C(O)CH3
  465927.4844  0.0250 -5.2055 3  491.5974340  595161404422815 4    412913 4      C-13-H3C(O)CH3
  465947.9759  0.0309 -6.1604 3  507.1586680  595161404423112 1    422815 1      C-13-H3C(O)CH3
  466013.2123  0.0183 -5.0041 3  491.6140680  595161404422815 1    412913 1      C-13-H3C(O)CH3
  466030.7910  0.0057 -5.0984 3   71.5413156  59516140419 514 3    18 415 3      C-13-H3C(O)CH3
  466030.7950  0.0057 -5.0984 3   71.5413156  59516140419 614 3    18 315 3      C-13-H3C(O)CH3
  466031.0183  0.0073 -5.0984 3   71.5413156  59516140419 514 4    18 415 4      C-13-H3C(O)CH3
  466031.0223  0.0073 -5.0984 3   71.5413156  59516140419 614 4    18 315 4      C-13-H3C(O)CH3
  466062.1893  0.0067 -5.2376 3   84.8715296  5951614041814 4 0    1711 7 0      C-13-H3C(O)CH3
  466092.7904  0.0310 -5.7101 3  713.6892792  595161404493910 1    4840 8 1      C-13-H3C(O)CH3
  466107.0002  0.0289 -5.7095 3  713.6626792  595161404493910 0    4840 9 0      C-13-H3C(O)CH3
  466107.0002  0.0289 -5.7095 3  713.6626792  595161404493911 0    4840 8 0      C-13-H3C(O)CH3
  466129.2317  0.0195 -4.1724 3  183.3544212  5951614042618 9 4    2517 8 4      C-13-H3C(O)CH3
  466177.2964  0.0144 -6.3647 3   71.0309132  5951614041615 2 4    1512 4 4      C-13-H3C(O)CH3
  466197.0645  0.0541 -5.1878 3 1055.7742B28  595161404701555 0    701456 0      C-13-H3C(O)CH3
  466197.0645  0.0541 -5.1372 3 1055.7742B28  595161404701655 0    701556 0      C-13-H3C(O)CH3
  466197.0645  0.0541 -6.0540 3 1055.7742B28  595161404701555 0    701556 0      C-13-H3C(O)CH3
  466200.3551  0.0292 -6.0395 3  507.1730680  595161404423112 0    422815 0      C-13-H3C(O)CH3
  466263.6036  0.0392 -6.3770 3  507.1391340  595161404423112 4    422815 4      C-13-H3C(O)CH3
  466283.2509  0.0613 -6.3415 3  839.6081444  595161404553521 4    553224 4      C-13-H3C(O)CH3
  466288.7444  0.0320 -5.7097 3  713.6608792  595161404493911 1    4840 9 1      C-13-H3C(O)CH3
  466291.9941  0.0734 -6.3793 3  704.2257808  595161404503416 1    503120 1      C-13-H3C(O)CH3
  466314.0479  0.0648 -6.0929 3 1055.7680B28  595161404701555 1    701556 1      C-13-H3C(O)CH3
  466314.0479  0.0648 -5.1824 3 1055.7680B28  595161404701655 1    701556 1      C-13-H3C(O)CH3
  466314.0479  0.0648 -5.1824 3 1055.7680B28  595161404701555 1    701456 1      C-13-H3C(O)CH3
  466314.0479  0.0648 -6.0929 3 1055.7680B28  595161404701655 1    701456 1      C-13-H3C(O)CH3
  466314.1982  0.0140 -6.3892 3   71.1073132  5951614041615 1 3    1512 3 3      C-13-H3C(O)CH3
  466315.7782  0.0650 -5.4244 3 1055.7679B28  595161404701555 2    701456 2      C-13-H3C(O)CH3
  466315.7782  0.0650 -5.4244 3 1055.7679B28  595161404701655 2    701556 2      C-13-H3C(O)CH3
  466315.7782  0.0650 -5.4421 3 1055.7679B28  595161404701655 2    701456 2      C-13-H3C(O)CH3
  466315.7782  0.0650 -5.4421 3 1055.7679B28  595161404701555 2    701556 2      C-13-H3C(O)CH3
  466316.1378  0.0323 -6.1103 3  507.1604680  595161404423112 2    422815 2      C-13-H3C(O)CH3
  466318.2001  0.0763 -6.2788 3  679.9513792  595161404493415 1    493118 1      C-13-H3C(O)CH3
  466338.7019  0.0372 -6.0116 3  713.7092396  595161404493910 4    4840 8 4      C-13-H3C(O)CH3
  466351.1794  0.0300 -5.7099 3  713.6828792  595161404493910 2    4840 8 2      C-13-H3C(O)CH3
  466380.3850  0.0104 -5.5683 3   84.8945296  5951614041814 4 1    1711 7 1      C-13-H3C(O)CH3
  466404.1569  0.0360 -6.0107 3  713.6986396  595161404493910 3    4840 8 3      C-13-H3C(O)CH3
  466418.0037  0.0299 -5.7091 3  713.6720792  595161404493911 2    4840 9 2      C-13-H3C(O)CH3
  466425.5511  0.0066 -4.7961 3   71.4936312  59516140419 514 2    18 415 2      C-13-H3C(O)CH3
  466425.5553  0.0066 -4.7961 3   71.4936312  59516140419 614 2    18 315 2      C-13-H3C(O)CH3
  466432.9030  0.0503 -5.5645 3 1055.7617564  595161404701655 3    701456 3      C-13-H3C(O)CH3
  466432.9030  0.0503 -6.0154 3 1055.7617564  595161404701655 3    701556 3      C-13-H3C(O)CH3
  466432.9030  0.0503 -5.5645 3 1055.7617564  595161404701555 3    701556 3      C-13-H3C(O)CH3
  466432.9030  0.0503 -6.0154 3 1055.7617564  595161404701555 3    701456 3      C-13-H3C(O)CH3
  466433.1109  0.0503 -5.4537 3 1055.7617564  595161404701655 4    701556 4      C-13-H3C(O)CH3
  466433.1109  0.0503 -5.4537 3 1055.7617564  595161404701555 4    701456 4      C-13-H3C(O)CH3
  466434.9906  0.0065 -4.7963 3   71.4942312  59516140419 514 1    18 415 1      C-13-H3C(O)CH3
  466434.9945  0.0065 -4.7963 3   71.4942312  59516140419 614 1    18 315 1      C-13-H3C(O)CH3
  466437.5395  0.0892 -6.4179 3  704.2263404  595161404503417 3    503120 3      C-13-H3C(O)CH3
  466465.1090  0.0104 -5.5583 3   84.8937296  5951614041814 4 2    1711 7 2      C-13-H3C(O)CH3
  466486.4058  0.3028 -6.4747 3  860.6756904  595161404563323 0    553620 0      C-13-H3C(O)CH3
  466510.4103  0.0351 -6.5012 3  507.1569340  595161404423112 3    422815 3      C-13-H3C(O)CH3
  466517.6931  0.1009 -6.3295 3  839.6082444  595161404553521 3    553224 3      C-13-H3C(O)CH3
  466530.8388  0.0146 -6.3896 3   71.0983132  5951614041615 2 3    1512 4 3      C-13-H3C(O)CH3
  466533.5086  0.0372 -6.0112 3  713.6809396  595161404493911 3    4840 9 3      C-13-H3C(O)CH3
  466554.7599  0.0278 -6.4647 3  442.5566316  595161404393010 3    392712 3      C-13-H3C(O)CH3
  466558.9034  0.0030 -5.3442 3  350.4530332  59516140441 933 4    40 832 4      C-13-H3C(O)CH3
  466558.9034  0.0030 -3.7179 3  350.4530332  59516140441 833 4    40 832 4      C-13-H3C(O)CH3
  466558.9690  0.0030 -3.7179 3  350.4530332 -59516140441 933 4    40 932 4      C-13-H3C(O)CH3
  466558.9690  0.0029 -3.7338 3  350.4530332 -59516140441 833 3    40 832 3      C-13-H3C(O)CH3
  466558.9690  0.0029 -4.9427 3  350.4530332 -59516140441 933 3    40 832 3      C-13-H3C(O)CH3
  466558.9690  0.0030 -5.3442 3  350.4530332 -59516140441 833 4    40 932 4      C-13-H3C(O)CH3
  466558.9754  0.0029 -4.9427 3  350.4530332  59516140441 833 3    40 932 3      C-13-H3C(O)CH3
  466558.9754  0.0029 -3.7338 3  350.4530332  59516140441 933 3    40 932 3      C-13-H3C(O)CH3
  466592.3829  0.0034 -3.4218 3  350.4727664 -59516140441 933 1    40 932 1      C-13-H3C(O)CH3
  466592.3829  0.0034 -4.8730 3  350.4727664 -59516140441 833 1    40 932 1      C-13-H3C(O)CH3
  466592.3911  0.0034 -3.4218 3  350.4727664  59516140441 833 1    40 832 1      C-13-H3C(O)CH3
  466592.3911  0.0034 -4.8730 3  350.4727664  59516140441 933 1    40 832 1      C-13-H3C(O)CH3
  466593.3570  0.0034 -3.4631 3  350.4719664 -59516140441 833 2    40 932 2      C-13-H3C(O)CH3
  466593.3570  0.0034 -3.4631 3  350.4719664 -59516140441 933 2    40 832 2      C-13-H3C(O)CH3
  466593.3790  0.0034 -4.3213 3  350.4719664  59516140441 833 2    40 832 2      C-13-H3C(O)CH3
  466593.3790  0.0034 -4.3213 3  350.4719664  59516140441 933 2    40 932 2      C-13-H3C(O)CH3
  466598.9826  0.0367 -6.0104 3  713.6702396  595161404493911 4    4840 9 4      C-13-H3C(O)CH3
  466626.7512  0.0028 -3.6791 3  350.4916664 -59516140441 833 0    40 832 0      C-13-H3C(O)CH3
  466626.7512  0.0028 -3.7384 3  350.4916664 -59516140441 933 0    40 832 0      C-13-H3C(O)CH3
  466626.7512  0.0028 -3.7384 3  350.4916664 -59516140441 833 0    40 932 0      C-13-H3C(O)CH3
  466626.7512  0.0028 -3.6791 3  350.4916664 -59516140441 933 0    40 932 0      C-13-H3C(O)CH3
  466654.4277  0.0092 -6.3252 3   63.1586264  5951614041612 5 1    15 7 8 1      C-13-H3C(O)CH3
  466656.8405  0.1009 -6.4161 3 1639.4656668  595161404832856 4    832657 4      C-13-H3C(O)CH3
  466656.8405  0.1009 -6.4161 3 1639.4656668  595161404832756 4    832757 4      C-13-H3C(O)CH3
  466656.8691  0.1009 -6.4130 3 1639.4656668  595161404832856 3    832757 3      C-13-H3C(O)CH3
  466656.8691  0.1009 -6.4130 3 1639.4656668  595161404832756 3    832657 3      C-13-H3C(O)CH3
  466658.6897  0.0195 -4.9421 3  491.6562680  595161404422814 2    412912 2      C-13-H3C(O)CH3
  466673.1712  0.0148 -6.3762 3   71.1747132  5951614041615 1 4    1512 3 4      C-13-H3C(O)CH3
  466679.7485  0.0180 -5.2046 3  491.6549340  595161404422814 4    412912 4      C-13-H3C(O)CH3
  466691.3115  0.1124 -6.1684 3 1639.4450D36  595161404832756 1    832757 1      C-13-H3C(O)CH3
  466691.3115  0.1124 -6.1684 3 1639.4450D36  595161404832856 1    832657 1      C-13-H3C(O)CH3
  466695.9525  0.1122 -6.1085 3 1639.4481D36  595161404832756 2    832757 2      C-13-H3C(O)CH3
  466695.9525  0.1122 -6.1085 3 1639.4481D36  595161404832856 2    832657 2      C-13-H3C(O)CH3
  466722.7176  0.0462 -5.1992 3 1013.7155B12  595161404691555 0    691356 0      C-13-H3C(O)CH3
  466722.7176  0.0462 -5.6673 3 1013.7155B12  595161404691455 0    691356 0      C-13-H3C(O)CH3
  466722.7176  0.0462 -5.1992 3 1013.7155B12  595161404691455 0    691456 0      C-13-H3C(O)CH3
  466722.7176  0.0462 -5.6673 3 1013.7155B12  595161404691555 0    691456 0      C-13-H3C(O)CH3
  466728.3800  0.0284 -6.4421 3  442.5729316  5951614043930 9 4    392712 4      C-13-H3C(O)CH3
  466730.3958  0.1233 -6.1191 3 1639.4275D36  595161404832756 0    832657 0      C-13-H3C(O)CH3
  466730.3958  0.1233 -6.1191 3 1639.4275D36  595161404832856 0    832757 0      C-13-H3C(O)CH3
  466739.8415  0.0264 -6.1598 3  442.5469632  595161404393010 1    392713 1      C-13-H3C(O)CH3
  466745.7509  0.1157 -6.3688 3  704.2252808  595161404503416 2    503120 2      C-13-H3C(O)CH3
  466769.6147  0.0253 -6.1465 3  442.5832632  5951614043930 9 2    392712 2      C-13-H3C(O)CH3
  466789.9539  0.0101 -3.6994 3  183.3567424 -5951614042618 9 1    2517 8 1      C-13-H3C(O)CH3
  466807.2180  0.1117 -6.2696 3  679.9508792  595161404493415 2    493118 2      C-13-H3C(O)CH3
  466811.0604  0.0247 -6.1421 3  442.5782632  5951614043930 9 0    392712 0      C-13-H3C(O)CH3
  466815.3066  0.0043 -4.0483 3  269.5201260  595161404321815 4    311714 4      C-13-H3C(O)CH3
  466822.4037  0.0058 -4.0483 3  269.5199260  595161404321815 3    311714 3      C-13-H3C(O)CH3
  466828.8641  0.0064 -4.7950 3   71.4465312  59516140419 514 0    18 415 0      C-13-H3C(O)CH3
  466828.8682  0.0064 -4.7950 3   71.4465312  59516140419 614 0    18 315 0      C-13-H3C(O)CH3
  466829.8903  0.0048 -3.7473 3  269.5440520 -595161404321815 1    311714 1      C-13-H3C(O)CH3
  466843.9360  0.0262 -5.3704 3  491.6316340  595161404422814 3    412912 3      C-13-H3C(O)CH3
  466845.0631  0.0550 -5.0728 3 1013.7040B12  595161404691555 1    691356 1      C-13-H3C(O)CH3
  466845.0631  0.0550 -5.4315 3 1013.7040B12  595161404691455 1    691456 1      C-13-H3C(O)CH3
  466845.0631  0.0550 -5.3209 3 1013.7040B12  595161404691455 1    691356 1      C-13-H3C(O)CH3
  466846.0836  0.0549 -5.5428 3 1013.7038B12  595161404691555 2    691356 2      C-13-H3C(O)CH3
  466846.0836  0.0549 -5.2508 3 1013.7038B12  595161404691455 2    691356 2      C-13-H3C(O)CH3
  466846.0836  0.0549 -5.5428 3 1013.7038B12  595161404691455 2    691456 2      C-13-H3C(O)CH3
  466846.0836  0.0549 -5.2508 3 1013.7038B12  595161404691555 2    691456 2      C-13-H3C(O)CH3
  466846.2033  0.0254 -6.1583 3  442.5654632  5951614043930 9 1    392712 1      C-13-H3C(O)CH3
  466857.7863  0.0196 -5.0026 3  491.6374680  595161404422814 1    412912 1      C-13-H3C(O)CH3
  466883.3991  0.0207 -4.3321 3  331.6690568  595161404352114 2    342213 2      C-13-H3C(O)CH3
  466888.4306  0.0069 -6.4623 3   63.1958132  5951614041612 5 3    15 7 8 3      C-13-H3C(O)CH3
  466895.2373  0.0146 -5.9243 3   84.9146148  5951614041814 4 4    1711 7 4      C-13-H3C(O)CH3
  466920.2445  0.0311 -6.4467 3  442.5238316  595161404393010 4    392713 4      C-13-H3C(O)CH3
  466954.6493  0.0045 -3.7476 3  269.5342520 -595161404321815 2    311714 2      C-13-H3C(O)CH3
  466963.2192  0.0040 -3.7477 3  269.5583520 -595161404321815 0    311714 0      C-13-H3C(O)CH3
  466964.5761  0.1227 -6.5582 3  679.9461396  595161404493415 3    493118 3      C-13-H3C(O)CH3
  466966.2899  0.0086 -6.0898 3   51.5777148  59516140418 216 3    17 017 3      C-13-H3C(O)CH3
  466966.2899  0.0086 -6.0898 3   51.5777148  59516140418 316 3    17 117 3      C-13-H3C(O)CH3
  466966.8691  0.0102 -6.0352 3   51.5777148  59516140418 216 4    17 117 4      C-13-H3C(O)CH3
  466966.8691  0.0102 -6.0352 3   51.5777148  59516140418 316 4    17 017 4      C-13-H3C(O)CH3
  466968.5703  0.0465 -5.6608 3 1013.6923556  595161404691455 3    691356 3      C-13-H3C(O)CH3
  466968.5703  0.0465 -5.6864 3 1013.6923556  595161404691555 3    691356 3      C-13-H3C(O)CH3
  466968.5703  0.0465 -5.6864 3 1013.6923556  595161404691455 3    691456 3      C-13-H3C(O)CH3
  466968.5703  0.0465 -5.6608 3 1013.6923556  595161404691555 3    691456 3      C-13-H3C(O)CH3
  466968.7654  0.0466 -5.4605 3 1013.6923556  595161404691555 4    691356 4      C-13-H3C(O)CH3
  466968.7654  0.0466 -5.4605 3 1013.6923556  595161404691455 4    691456 4      C-13-H3C(O)CH3
  466968.7654  0.0466 -6.1084 3 1013.6923556  595161404691555 4    691456 4      C-13-H3C(O)CH3
  466968.7654  0.0466 -6.1084 3 1013.6923556  595161404691455 4    691356 4      C-13-H3C(O)CH3
  466974.4420  0.4136 -6.3992 3  975.8709952  595161404593920 1    593623 1      C-13-H3C(O)CH3
  466979.5763  0.0096 -6.3185 3   63.1559264  5951614041612 5 2    15 7 8 2      C-13-H3C(O)CH3
  466997.7372  0.0072 -3.8663 3  183.3426212  5951614042618 9 3    2517 8 3      C-13-H3C(O)CH3
  467031.9328  0.0246 -6.1418 3  442.5709632  595161404393010 0    392713 0      C-13-H3C(O)CH3
  467048.5075  0.0129 -6.0682 3   71.0455264  5951614041615 2 1    1512 4 1      C-13-H3C(O)CH3
  467060.1871  0.0180 -4.8658 3  491.6378680  595161404422814 0    412913 0      C-13-H3C(O)CH3
  467070.9033  0.6508 -6.4149 3  975.8716952  595161404593920 2    593623 2      C-13-H3C(O)CH3
  467070.9923  0.0240 -4.6315 3  331.6471284  595161404352114 4    342213 4      C-13-H3C(O)CH3
  467080.1238  0.0239 -4.6320 3  331.6470284  595161404352114 3    342213 3      C-13-H3C(O)CH3
  467095.7214  0.0288 -6.4661 3  442.5401316  5951614043930 9 3    392713 3      C-13-H3C(O)CH3
  467109.5895  0.0083 -3.6157 3  183.3547424 -5951614042618 9 2    2517 8 2      C-13-H3C(O)CH3
  467128.1310  0.0121 -6.0700 3   71.0551264  5951614041615 2 2    1512 4 2      C-13-H3C(O)CH3
  467131.1418  0.0265 -6.1496 3  442.5506632  595161404393010 2    392713 2      C-13-H3C(O)CH3
  467162.6521  0.0880 -6.2026 3  734.2141420  595161404522923 3    513220 3      C-13-H3C(O)CH3
  467170.2193  0.0405 -5.5931 3  491.6207340  595161404422814 3    412913 3      C-13-H3C(O)CH3
  467201.4132  0.0122 -6.0736 3   71.1214264  5951614041615 1 1    1512 3 1      C-13-H3C(O)CH3
  467226.4471  0.0164 -4.3306 3  331.6905568  595161404352114 0    342213 0      C-13-H3C(O)CH3
  467235.9101  0.0385 -5.0155 3  972.2373A96  595161404681355 0    681256 0      C-13-H3C(O)CH3
  467235.9101  0.0385 -5.0155 3  972.2373A96  595161404681455 0    681356 0      C-13-H3C(O)CH3
  467284.6618  0.0757 -6.2046 3  734.2101420  595161404522923 4    513220 4      C-13-H3C(O)CH3
  467320.5255  0.0174 -6.5512 3  438.0537324  595161404402516 3    392614 3      C-13-H3C(O)CH3
  467358.5483  0.0456 -5.2425 3  972.2205A96  595161404681355 1    681256 1      C-13-H3C(O)CH3
  467358.5483  0.0456 -5.4037 3  972.2205A96  595161404681355 1    681356 1      C-13-H3C(O)CH3
  467358.5483  0.0456 -5.4037 3  972.2205A96  595161404681455 1    681256 1      C-13-H3C(O)CH3
  467358.5483  0.0456 -5.2425 3  972.2205A96  595161404681455 1    681356 1      C-13-H3C(O)CH3
  467358.9991  0.0453 -5.0302 3  972.2204A96  595161404681455 2    681256 2      C-13-H3C(O)CH3
  467358.9991  0.0453 -5.0302 3  972.2204A96  595161404681355 2    681356 2      C-13-H3C(O)CH3
  467358.9991  0.0453 -6.4679 3  972.2204A96  595161404681455 2    681356 2      C-13-H3C(O)CH3
  467358.9991  0.0453 -6.4679 3  972.2204A96  595161404681355 2    681256 2      C-13-H3C(O)CH3
  467406.7579  0.0032 -3.5377 3  183.3623424 -5951614042618 9 0    2517 8 0      C-13-H3C(O)CH3
  467410.4897  0.0179 -4.3293 3  331.6688568  595161404352114 1    342213 1      C-13-H3C(O)CH3
  467411.6100  0.0147 -5.7625 3  438.0684648  595161404402516 2    392614 2      C-13-H3C(O)CH3
  467470.6465  0.0944 -6.6065 3 1589.9147660  595161404822756 4    822657 4      C-13-H3C(O)CH3
  467470.6465  0.0944 -6.6065 3 1589.9147660  595161404822656 4    822557 4      C-13-H3C(O)CH3
  467470.6571  0.0944 -6.3220 3 1589.9147660  595161404822656 3    822657 3      C-13-H3C(O)CH3
  467470.6571  0.0944 -6.3220 3 1589.9147660  595161404822756 3    822557 3      C-13-H3C(O)CH3
  467474.4276  0.0118 -6.0759 3   71.1229264  5951614041615 1 2    1512 3 2      C-13-H3C(O)CH3
  467481.7737  0.0429 -5.3163 3  972.2036548  595161404681455 3    681356 3      C-13-H3C(O)CH3
  467481.7737  0.0429 -5.3163 3  972.2036548  595161404681355 3    681256 3      C-13-H3C(O)CH3
  467481.9398  0.0429 -5.3172 3  972.2036548  595161404681355 4    681356 4      C-13-H3C(O)CH3
  467481.9398  0.0429 -5.3172 3  972.2036548  595161404681455 4    681256 4      C-13-H3C(O)CH3
  467488.2303  0.0115 -5.8140 3   51.5056296  59516140418 216 2    17 017 2      C-13-H3C(O)CH3
  467488.2303  0.0115 -5.8140 3   51.5056296  59516140418 316 2    17 117 2      C-13-H3C(O)CH3
  467488.2303  0.0115 -6.4820 3   51.5056296  59516140418 216 2    17 117 2      C-13-H3C(O)CH3
  467488.2303  0.0115 -6.4819 3   51.5056296  59516140418 316 2    17 017 2      C-13-H3C(O)CH3
  467489.7470  0.0115 -5.7867 3   51.5060296  59516140418 216 1    17 017 1      C-13-H3C(O)CH3
  467489.7470  0.0115 -5.7867 3   51.5060296  59516140418 316 1    17 117 1      C-13-H3C(O)CH3
  467496.5838  0.1030 -6.1166 3 1589.8928D20  595161404822756 1    822657 1      C-13-H3C(O)CH3
  467496.5838  0.1030 -6.1166 3 1589.8928D20  595161404822656 1    822557 1      C-13-H3C(O)CH3
  467502.3257  0.1046 -6.5410 3 1589.8955D20  595161404822656 2    822557 2      C-13-H3C(O)CH3
  467502.3257  0.1046 -6.1735 3 1589.8955D20  595161404822656 2    822657 2      C-13-H3C(O)CH3
  467502.3257  0.1046 -6.5410 3 1589.8955D20  595161404822756 2    822657 2      C-13-H3C(O)CH3
  467502.3257  0.1046 -6.1735 3 1589.8955D20  595161404822756 2    822557 2      C-13-H3C(O)CH3
  467528.2664  0.1116 -6.0399 3 1589.8737D20  595161404822656 0    822557 0      C-13-H3C(O)CH3
  467528.2664  0.1116 -6.0399 3 1589.8737D20  595161404822756 0    822657 0      C-13-H3C(O)CH3
  467544.4141  0.0173 -5.8200 3  438.0453324  595161404402516 4    392614 4      C-13-H3C(O)CH3
  467548.9336  0.0104 -6.3530 3  438.0659648  595161404402516 1    392614 1      C-13-H3C(O)CH3
  467555.1779  0.0888 -6.1198 3  812.1906888  595161404553026 0    543123 0      C-13-H3C(O)CH3
  467557.2697  0.0263 -5.4348 3  491.6140680  595161404422814 1    412913 1      C-13-H3C(O)CH3
  467613.4763  0.0964 -5.8998 3  734.2075840  595161404522923 2    513220 2      C-13-H3C(O)CH3
  467626.0903  0.0029 -4.3499 3  356.5644340 -59516140442 835 4    41 834 4      C-13-H3C(O)CH3
  467626.0903  0.0029 -3.7957 3  356.5644340 -59516140442 735 4    41 834 4      C-13-H3C(O)CH3
  467626.0903  0.0029 -3.6967 3  356.5643340 -59516140442 735 3    41 834 3      C-13-H3C(O)CH3
  467626.0903  0.0029 -3.6967 3  356.5643340 -59516140442 835 3    41 734 3      C-13-H3C(O)CH3
  467626.1597  0.0029 -4.3499 3  356.5644340  59516140442 735 4    41 734 4      C-13-H3C(O)CH3
  467626.1597  0.0029 -3.7957 3  356.5644340  59516140442 835 4    41 734 4      C-13-H3C(O)CH3
  467626.2230  0.0029 -5.4310 3  356.5643340  59516140442 735 3    41 734 3      C-13-H3C(O)CH3
  467626.2230  0.0029 -5.4310 3  356.5643340  59516140442 835 3    41 834 3      C-13-H3C(O)CH3
  467661.1967  0.0034 -4.0032 3  356.5809680  59516140442 735 1    41 734 1      C-13-H3C(O)CH3
  467661.1967  0.0034 -4.0032 3  356.5809680  59516140442 835 1    41 834 1      C-13-H3C(O)CH3
  467661.2533  0.0034 -3.5083 3  356.5809680 -59516140442 735 1    41 834 1      C-13-H3C(O)CH3
  467661.2533  0.0034 -3.5083 3  356.5809680 -59516140442 835 1    41 734 1      C-13-H3C(O)CH3
  467661.9329  0.0033 -5.2358 3  356.5803680  59516140442 835 2    41 834 2      C-13-H3C(O)CH3
  467661.9329  0.0033 -5.2358 3  356.5803680  59516140442 735 2    41 734 2      C-13-H3C(O)CH3
  467662.0356  0.0033 -3.3939 3  356.5803680 -59516140442 835 2    41 734 2      C-13-H3C(O)CH3
  467662.0356  0.0033 -3.3939 3  356.5803680 -59516140442 735 2    41 834 2      C-13-H3C(O)CH3
  467682.4343  0.0399 -5.6596 3  491.6221680  595161404422814 2    412913 2      C-13-H3C(O)CH3
  467696.8495  0.0027 -3.8856 3  356.5968680  59516140442 735 0    41 834 0      C-13-H3C(O)CH3
  467696.8495  0.0027 -3.5538 3  356.5968680  59516140442 835 0    41 834 0      C-13-H3C(O)CH3
  467696.8843  0.0027 -3.8856 3  356.5968680 -59516140442 835 0    41 734 0      C-13-H3C(O)CH3
  467696.8843  0.0027 -3.5538 3  356.5968680 -59516140442 735 0    41 734 0      C-13-H3C(O)CH3
  467710.9517  0.0724 -5.8998 3  734.2070840  595161404522923 1    513220 1      C-13-H3C(O)CH3
  467722.9747  0.0176 -4.1909 3  311.4820552  595161404342014 2    332113 2      C-13-H3C(O)CH3
  467736.3588  0.1213 -6.5416 3  679.9514396  595161404493415 4    493118 4      C-13-H3C(O)CH3
  467738.9017  0.0314 -5.4639 3  931.3400A80  595161404671255 0    671156 0      C-13-H3C(O)CH3
  467738.9017  0.0314 -5.4639 3  931.3400A80  595161404671355 0    671256 0      C-13-H3C(O)CH3
  467738.9017  0.0314 -5.1257 3  931.3400A80  595161404671255 0    671256 0      C-13-H3C(O)CH3
  467738.9017  0.0314 -5.1257 3  931.3400A80  595161404671355 0    671156 0      C-13-H3C(O)CH3
  467744.6656  0.0044 -3.5323 3  174.2783196 -5951614042422 2 4    2321 2 4      C-13-H3C(O)CH3
  467814.2357  0.2806 -6.2323 3  912.3668920  595161404573819 0    573522 0      C-13-H3C(O)CH3
  467855.4918  0.0378 -4.9977 3  931.3184A80  595161404671255 1    671156 1      C-13-H3C(O)CH3
  467855.4918  0.0378 -6.0560 3  931.3184A80  595161404671355 1    671156 1      C-13-H3C(O)CH3
  467855.4918  0.0378 -4.9977 3  931.3184A80  595161404671355 1    671256 1      C-13-H3C(O)CH3
  467855.4918  0.0378 -6.0560 3  931.3184A80  595161404671255 1    671256 1      C-13-H3C(O)CH3
  467855.5420  0.0373 -5.9889 3  931.3182A80  595161404671255 2    671156 2      C-13-H3C(O)CH3
  467855.5420  0.0373 -5.0041 3  931.3182A80  595161404671255 2    671256 2      C-13-H3C(O)CH3
  467855.5420  0.0373 -5.0041 3  931.3182A80  595161404671355 2    671156 2      C-13-H3C(O)CH3
  467855.5420  0.0373 -5.9889 3  931.3182A80  595161404671355 2    671256 2      C-13-H3C(O)CH3
  467905.8652  0.0212 -4.4903 3  311.4613276  595161404342014 3    332113 3      C-13-H3C(O)CH3
  467908.2445  0.0202 -4.4901 3  311.4613276  595161404342014 4    332113 4      C-13-H3C(O)CH3
  467923.1121  0.0039 -3.5319 3  174.2258196 -5951614042422 3 3    2321 3 3      C-13-H3C(O)CH3
  467949.5227  0.0121 -6.0739 3   71.0714264  5951614041615 2 0    1512 3 0      C-13-H3C(O)CH3
  467962.7335  0.0037 -3.2308 3  174.2915392 -5951614042422 2 1    2321 2 1      C-13-H3C(O)CH3
  467964.5380  0.0042 -4.5653 3  106.3080172  595161404211011 3    20 912 3      C-13-H3C(O)CH3
  467966.7477  0.0060 -4.5653 3  106.3080172  595161404211011 4    20 912 4      C-13-H3C(O)CH3
  467972.2580  0.0393 -5.8981 3  931.2966540  595161404671355 3    671256 3      C-13-H3C(O)CH3
  467972.2580  0.0393 -5.3762 3  931.2966540  595161404671355 3    671156 3      C-13-H3C(O)CH3
  467972.2580  0.0393 -5.3762 3  931.2966540  595161404671255 3    671256 3      C-13-H3C(O)CH3
  467972.2580  0.0393 -5.8981 3  931.2966540  595161404671255 3    671156 3      C-13-H3C(O)CH3
  467972.3760  0.0393 -5.4980 3  931.2965540  595161404671255 4    671156 4      C-13-H3C(O)CH3
  467972.3760  0.0393 -5.4980 3  931.2965540  595161404671355 4    671256 4      C-13-H3C(O)CH3
  467972.3760  0.0393 -5.6396 3  931.2965540  595161404671355 4    671156 4      C-13-H3C(O)CH3
  467972.3760  0.0393 -5.6396 3  931.2965540  595161404671255 4    671256 4      C-13-H3C(O)CH3
  467976.3857  0.0812 -6.1168 3  812.1780888  595161404553026 1    543123 1      C-13-H3C(O)CH3
  467987.1015  0.0037 -3.2308 3  174.3087392 -5951614042422 2 2    2321 2 2      C-13-H3C(O)CH3
  467987.8224  0.0041 -3.5317 3  174.2325196 -5951614042422 2 3    2321 2 3      C-13-H3C(O)CH3
  467991.5869  0.0906 -6.0731 3  734.8034824  595161404513516 0    513219 0      C-13-H3C(O)CH3
  468009.3797  0.0145 -4.1896 3  311.5043552  595161404342014 0    332113 0      C-13-H3C(O)CH3
  468010.4521  0.0115 -5.7284 3   51.4341296  59516140418 216 0    17 017 0      C-13-H3C(O)CH3
  468010.4521  0.0115 -5.7284 3   51.4341296  59516140418 316 0    17 117 0      C-13-H3C(O)CH3
  468052.9333  0.0120 -6.0738 3   71.0679264  5951614041615 1 0    1512 4 0      C-13-H3C(O)CH3
  468058.6230  0.1344 -6.1158 3  812.1750888  595161404553026 2    543123 2      C-13-H3C(O)CH3
  468096.4824  0.0819 -5.8972 3  734.2025840  595161404522923 0    513220 0      C-13-H3C(O)CH3
  468155.0976  0.0042 -4.2637 3  106.2871344  595161404211011 2    20 912 2      C-13-H3C(O)CH3
  468163.8779  0.0095 -6.0023 3  317.4955568  595161404351718 2    351421 2      C-13-H3C(O)CH3
  468164.7211  0.0035 -3.2304 3  174.2562392 -5951614042422 3 2    2321 3 2      C-13-H3C(O)CH3
  468165.4390  0.0040 -3.5314 3  174.1801196 -5951614042422 3 4    2321 3 4      C-13-H3C(O)CH3
  468174.9057  0.0098 -6.3031 3  317.4716284  595161404351718 3    351421 3      C-13-H3C(O)CH3
  468174.9881  0.0101 -6.3031 3  317.4716284  595161404351718 4    351421 4      C-13-H3C(O)CH3
  468185.4201  0.0165 -4.1879 3  311.4837552  595161404342014 1    332113 1      C-13-H3C(O)CH3
  468195.1467  0.0063 -6.1416 3   63.1187264  5951614041612 5 0    15 7 8 0      C-13-H3C(O)CH3
  468198.6210  0.0099 -4.1109 3  239.0496244  595161404301813 4    291712 4      C-13-H3C(O)CH3
  468202.7225  0.0041 -4.2638 3  106.2891344  595161404211011 1    20 912 1      C-13-H3C(O)CH3
  468204.9365  0.0035 -3.2302 3  174.2457392 -5951614042422 3 1    2321 3 1      C-13-H3C(O)CH3
  468204.9365  0.0034 -3.2303 3  174.3219392 -5951614042422 3 0    2321 2 0      C-13-H3C(O)CH3
  468204.9365  0.0034 -3.2303 3  174.3219392 -5951614042422 2 0    2321 3 0      C-13-H3C(O)CH3
  468207.6684  0.0084 -6.0014 3  317.5218568  595161404351718 0    351421 0      C-13-H3C(O)CH3
  468209.5852  0.0099 -4.1110 3  239.0493244  595161404301813 3    291712 3      C-13-H3C(O)CH3
  468212.5824  0.0094 -6.0023 3  317.4955568  595161404351818 2    351521 2      C-13-H3C(O)CH3
  468218.5629  0.0094 -6.0015 3  317.4979568  595161404351718 1    351421 1      C-13-H3C(O)CH3
  468223.5606  0.0101 -6.3031 3  317.4716284  595161404351818 4    351521 4      C-13-H3C(O)CH3
  468223.6006  0.0098 -6.3031 3  317.4716284  595161404351818 3    351521 3      C-13-H3C(O)CH3
  468227.1796  0.0898 -6.4444 3  734.8013824  595161404513517 1    513219 1      C-13-H3C(O)CH3
  468234.0970  0.0255 -5.1458 3  891.0243A64  595161404661155 0    661056 0      C-13-H3C(O)CH3
  468234.0970  0.0255 -5.2938 3  891.0243A64  595161404661155 0    661156 0      C-13-H3C(O)CH3
  468234.0970  0.0255 -5.2938 3  891.0243A64  595161404661255 0    661056 0      C-13-H3C(O)CH3
  468234.0970  0.0255 -5.1458 3  891.0243A64  595161404661255 0    661156 0      C-13-H3C(O)CH3
  468237.1536  0.0085 -3.8102 3  239.0687488 -595161404301813 1    291712 1      C-13-H3C(O)CH3
  468254.7197  0.0084 -6.0013 3  317.5218568  595161404351818 0    351521 0      C-13-H3C(O)CH3
  468258.3732  0.0894 -6.3292 3 1540.9318652  595161404812556 3    812557 3      C-13-H3C(O)CH3
  468258.3732  0.0894 -6.3292 3 1540.9318652  595161404812656 3    812457 3      C-13-H3C(O)CH3
  468258.3829  0.0894 -6.2422 3 1540.9319652  595161404812656 4    812557 4      C-13-H3C(O)CH3
  468258.3829  0.0894 -6.2422 3 1540.9319652  595161404812556 4    812457 4      C-13-H3C(O)CH3
  468265.5885  0.0094 -6.0014 3  317.4979568  595161404351818 1    351521 1      C-13-H3C(O)CH3
  468274.2307  0.0995 -5.9333 3 1540.9092D04  595161404812556 1    812557 1      C-13-H3C(O)CH3
  468274.2307  0.0995 -5.9333 3 1540.9092D04  595161404812656 1    812457 1      C-13-H3C(O)CH3
  468280.7655  0.1019 -6.3393 3 1540.9116D04  595161404812656 2    812557 2      C-13-H3C(O)CH3
  468280.7655  0.1019 -6.1461 3 1540.9116D04  595161404812656 2    812457 2      C-13-H3C(O)CH3
  468280.7655  0.1019 -6.3393 3 1540.9116D04  595161404812556 2    812457 2      C-13-H3C(O)CH3
  468280.7655  0.1019 -6.1461 3 1540.9116D04  595161404812556 2    812557 2      C-13-H3C(O)CH3
  468290.9921  0.0171 -5.8729 3  449.7131664  595161404412219 2    411922 2      C-13-H3C(O)CH3
  468296.6501  0.1041 -6.1264 3 1540.8890D04  595161404812556 0    812457 0      C-13-H3C(O)CH3
  468296.6501  0.1041 -6.3716 3 1540.8890D04  595161404812556 0    812557 0      C-13-H3C(O)CH3
  468296.6501  0.1041 -6.3716 3 1540.8890D04  595161404812656 0    812457 0      C-13-H3C(O)CH3
  468296.6501  0.1041 -6.1264 3 1540.8890D04  595161404812656 0    812557 0      C-13-H3C(O)CH3
  468304.1646  0.5663 -6.6059 3  975.8609476  595161404593920 3    593623 3      C-13-H3C(O)CH3
  468306.3785  0.0124 -5.8729 3  449.7404664  595161404412219 0    411922 0      C-13-H3C(O)CH3
  468336.7456  0.0321 -5.6206 3  890.9982A64  595161404661255 2    661056 2      C-13-H3C(O)CH3
  468336.7456  0.0321 -5.0068 3  890.9982A64  595161404661155 2    661056 2      C-13-H3C(O)CH3
  468336.7456  0.0321 -5.6206 3  890.9982A64  595161404661155 2    661156 2      C-13-H3C(O)CH3
  468336.7456  0.0321 -5.0068 3  890.9982A64  595161404661255 2    661156 2      C-13-H3C(O)CH3
  468336.9103  0.0328 -4.9805 3  890.9984A64  595161404661155 1    661156 1      C-13-H3C(O)CH3
  468336.9103  0.0328 -4.9805 3  890.9984A64  595161404661255 1    661056 1      C-13-H3C(O)CH3
  468336.9103  0.0328 -5.7490 3  890.9984A64  595161404661155 1    661056 1      C-13-H3C(O)CH3
  468336.9103  0.0328 -5.7490 3  890.9984A64  595161404661255 1    661156 1      C-13-H3C(O)CH3
  468367.0537  0.0182 -6.1733 3  449.6885332  595161404412219 3    411922 3      C-13-H3C(O)CH3
  468368.5584  0.0181 -6.1733 3  449.6884332  595161404412219 4    411922 4      C-13-H3C(O)CH3
  468382.5148  0.0135 -5.8724 3  449.7158664  595161404412219 1    411922 1      C-13-H3C(O)CH3
  468391.9873  0.0043 -4.2631 3  106.2682344  595161404211011 0    20 912 0      C-13-H3C(O)CH3
  468401.2318  0.0057 -4.5649 3  106.3077172  595161404211111 4    20 812 4      C-13-H3C(O)CH3
  468401.6741  0.0041 -4.5649 3  106.3077172  595161404211111 3    20 812 3      C-13-H3C(O)CH3
  468402.7342  0.0489 -6.2514 3  491.5974340  595161404422814 4    412913 4      C-13-H3C(O)CH3
  468439.6677  0.0358 -5.5919 3  890.9723532  595161404661255 3    661156 3      C-13-H3C(O)CH3
  468439.6677  0.0358 -5.4479 3  890.9723532  595161404661255 3    661056 3      C-13-H3C(O)CH3
  468439.6677  0.0358 -5.5919 3  890.9723532  595161404661155 3    661056 3      C-13-H3C(O)CH3
  468439.6677  0.0358 -5.4479 3  890.9723532  595161404661155 3    661156 3      C-13-H3C(O)CH3
  468439.7163  0.0358 -5.2156 3  890.9723532  595161404661155 4    661156 4      C-13-H3C(O)CH3
  468439.7163  0.0358 -5.2156 3  890.9723532  595161404661255 4    661056 4      C-13-H3C(O)CH3
  468450.8078  0.0036 -5.0841 3  183.3426212  5951614042618 8 3    2517 8 3      C-13-H3C(O)CH3
  468471.0308  0.1225 -6.4486 3  734.7996824  595161404513517 2    513219 2      C-13-H3C(O)CH3
  468481.3418  0.1286 -6.4139 3  812.1623444  595161404553026 4    543123 4      C-13-H3C(O)CH3
  468487.0929  0.1285 -6.4139 3  812.1621444  595161404553026 3    543123 3      C-13-H3C(O)CH3
  468550.1601  0.0080 -3.8097 3  239.0530488 -595161404301813 2    291712 2      C-13-H3C(O)CH3
  468577.2349  0.0078 -3.8100 3  239.0723488 -595161404301813 0    291712 0      C-13-H3C(O)CH3
  468606.2830  0.0041 -4.2632 3  106.2867344  595161404211111 2    20 812 2      C-13-H3C(O)CH3
  468608.6478  0.0040 -4.1113 3  183.3544212  5951614042618 8 4    2517 8 4      C-13-H3C(O)CH3
  468641.9665  0.0040 -4.2633 3  106.2887344  595161404211111 1    20 812 1      C-13-H3C(O)CH3
  468646.3338  0.0035 -4.0486 3  183.3567424 -5951614042618 8 1    2517 8 1      C-13-H3C(O)CH3
  468672.1522  0.0036 -4.3233 3  183.3547424  5951614042618 8 2    2517 8 2      C-13-H3C(O)CH3
  468707.6166  0.0028 -3.8412 3  362.1312348 -59516140443 737 4    42 736 4      C-13-H3C(O)CH3
  468707.6166  0.0028 -3.8412 3  362.1312348 -59516140443 637 4    42 636 4      C-13-H3C(O)CH3
  468707.6166  0.0028 -4.2534 3  362.1311348 -59516140443 737 3    42 736 3      C-13-H3C(O)CH3
  468707.6166  0.0028 -3.8020 3  362.1311348 -59516140443 637 3    42 736 3      C-13-H3C(O)CH3
  468707.6515  0.0028 -4.1585 3  362.1312348  59516140443 737 4    42 636 4      C-13-H3C(O)CH3
  468707.6515  0.0028 -4.1585 3  362.1312348  59516140443 637 4    42 736 4      C-13-H3C(O)CH3
  468707.7038  0.0028 -4.2534 3  362.1311348  59516140443 637 3    42 636 3      C-13-H3C(O)CH3
  468707.7038  0.0028 -3.8020 3  362.1311348  59516140443 737 3    42 636 3      C-13-H3C(O)CH3
  468724.0420  0.0214 -4.8681 3  851.2904A48  595161404651055 0    651056 0      C-13-H3C(O)CH3
  468724.0420  0.0214 -4.8681 3  851.2904A48  595161404651155 0    65 956 0      C-13-H3C(O)CH3
  468743.8893  0.0034 -4.4431 3  362.1434696  59516140443 637 1    42 736 1      C-13-H3C(O)CH3
  468743.8893  0.0034 -4.4431 3  362.1434696  59516140443 737 1    42 636 1      C-13-H3C(O)CH3
  468743.9621  0.0034 -3.4077 3  362.1434696 -59516140443 637 1    42 636 1      C-13-H3C(O)CH3
  468743.9621  0.0034 -3.4077 3  362.1434696 -59516140443 737 1    42 736 1      C-13-H3C(O)CH3
  468744.4250  0.0033 -4.2757 3  362.1429696  59516140443 637 2    42 736 2      C-13-H3C(O)CH3
  468744.4250  0.0033 -3.4270 3  362.1429696  59516140443 737 2    42 736 2      C-13-H3C(O)CH3
  468744.5014  0.0033 -4.2757 3  362.1429696 -59516140443 737 2    42 636 2      C-13-H3C(O)CH3
  468744.5014  0.0033 -3.4270 3  362.1429696 -59516140443 637 2    42 636 2      C-13-H3C(O)CH3
  468761.4568  0.0269 -5.5280 3  675.7667776  595161404483712 0    4738 9 0      C-13-H3C(O)CH3
  468761.4610  0.0269 -5.5280 3  675.7667776  595161404483711 0    473810 0      C-13-H3C(O)CH3
  468780.4672  0.0026 -3.3926 3  362.1551696 -59516140443 737 0    42 636 0      C-13-H3C(O)CH3
  468780.4672  0.0026 -3.3926 3  362.1551696 -59516140443 637 0    42 736 0      C-13-H3C(O)CH3
  468780.5490  0.0026 -4.6545 3  362.1551696  59516140443 737 0    42 736 0      C-13-H3C(O)CH3
  468780.5490  0.0026 -4.6545 3  362.1551696  59516140443 637 0    42 636 0      C-13-H3C(O)CH3
  468785.6961  0.0562 -6.2461 3  759.9176428  595161404532924 3    523221 3      C-13-H3C(O)CH3
  468803.6582  0.0305 -5.1607 3  851.2611A48  595161404651055 2    651056 2      C-13-H3C(O)CH3
  468803.6582  0.0305 -5.1772 3  851.2611A48  595161404651055 2    65 956 2      C-13-H3C(O)CH3
  468803.6582  0.0305 -5.1607 3  851.2611A48  595161404651155 2    65 956 2      C-13-H3C(O)CH3
  468803.6582  0.0305 -5.1772 3  851.2611A48  595161404651155 2    651056 2      C-13-H3C(O)CH3
  468803.8510  0.0311 -5.2522 3  851.2613A48  595161404651155 1    651056 1      C-13-H3C(O)CH3
  468803.8510  0.0311 -5.0990 3  851.2613A48  595161404651155 1    65 956 1      C-13-H3C(O)CH3
  468803.8510  0.0311 -5.0990 3  851.2613A48  595161404651055 1    651056 1      C-13-H3C(O)CH3
  468803.8510  0.0311 -5.2522 3  851.2613A48  595161404651055 1    65 956 1      C-13-H3C(O)CH3
  468826.7877  0.0291 -5.5284 3  675.7893776  595161404483711 1    4738 9 1      C-13-H3C(O)CH3
  468837.0614  0.0499 -6.2463 3  759.9159428  595161404532924 4    523221 4      C-13-H3C(O)CH3
  468842.4601  0.0044 -4.5123 3  124.5195180  5951614042214 9 4    211110 4      C-13-H3C(O)CH3
  468846.4022  0.0042 -4.2626 3  106.2679344  595161404211111 0    20 812 0      C-13-H3C(O)CH3
  468860.1376  0.0078 -6.5978 3   63.1586264  5951614041612 4 1    15 7 8 1      C-13-H3C(O)CH3
  468865.9032  0.1019 -6.4695 3  962.9147968  595161404603229 0    593326 0      C-13-H3C(O)CH3
  468883.5076  0.0324 -5.3406 3  851.2319524  595161404651055 4    65 956 4      C-13-H3C(O)CH3
  468883.5076  0.0324 -5.3406 3  851.2319524  595161404651155 4    651056 4      C-13-H3C(O)CH3
  468883.5076  0.0324 -5.6542 3  851.2319524  595161404651055 4    651056 4      C-13-H3C(O)CH3
  468883.5076  0.0324 -5.6542 3  851.2319524  595161404651155 4    65 956 4      C-13-H3C(O)CH3
  468883.5508  0.0324 -5.1856 3  851.2320524  595161404651155 3    651056 3      C-13-H3C(O)CH3
  468883.5508  0.0324 -6.5851 3  851.2320524  595161404651055 3    651056 3      C-13-H3C(O)CH3
  468883.5508  0.0324 -6.5851 3  851.2320524  595161404651155 3    65 956 3      C-13-H3C(O)CH3
  468883.5508  0.0324 -5.1856 3  851.2320524  595161404651055 3    65 956 3      C-13-H3C(O)CH3
  468925.7069  0.0053 -4.5115 3  124.5190180  5951614042214 9 3    211110 3      C-13-H3C(O)CH3
  468953.3631  0.0277 -5.5280 3  675.7610776  595161404483712 1    473810 1      C-13-H3C(O)CH3
  468989.6825  0.0269 -5.5275 3  675.7767776  595161404483712 2    473810 2      C-13-H3C(O)CH3
  469020.8379  0.0855 -6.1570 3 1492.5181644  595161404802556 3    802357 3      C-13-H3C(O)CH3
  469020.8379  0.0855 -6.1570 3 1492.5181644  595161404802456 3    802457 3      C-13-H3C(O)CH3
  469020.8696  0.0855 -6.1824 3 1492.5181644  595161404802556 4    802457 4      C-13-H3C(O)CH3
  469020.8696  0.0855 -6.1824 3 1492.5181644  595161404802456 4    802357 4      C-13-H3C(O)CH3
  469025.1449  0.1000 -5.8886 3 1492.4953C88  595161404802556 1    802457 1      C-13-H3C(O)CH3
  469025.1449  0.1000 -5.8886 3 1492.4953C88  595161404802456 1    802357 1      C-13-H3C(O)CH3
  469027.4377  0.0664 -5.9446 3  759.9140856  595161404532924 2    523221 2      C-13-H3C(O)CH3
  469032.1616  0.1025 -6.1731 3 1492.4973C88  595161404802556 2    802357 2      C-13-H3C(O)CH3
  469032.1616  0.1025 -6.1731 3 1492.4973C88  595161404802456 2    802457 2      C-13-H3C(O)CH3
  469032.1616  0.1025 -6.1212 3 1492.4973C88  595161404802456 2    802357 2      C-13-H3C(O)CH3
  469032.1616  0.1025 -6.1212 3 1492.4973C88  595161404802556 2    802457 2      C-13-H3C(O)CH3
  469036.5091  0.0998 -5.8804 3 1492.4745C88  595161404802556 0    802357 0      C-13-H3C(O)CH3
  469036.5091  0.0998 -5.8804 3 1492.4745C88  595161404802456 0    802457 0      C-13-H3C(O)CH3
  469054.3887  0.0327 -5.8290 3  675.7993388  595161404483711 3    4738 9 3      C-13-H3C(O)CH3
  469055.3339  0.0624 -5.9453 3  759.9146856  595161404532924 1    523221 1      C-13-H3C(O)CH3
  469058.5648  0.0283 -5.5281 3  675.7901776  595161404483711 2    4738 9 2      C-13-H3C(O)CH3
  469107.6158  0.1351 -6.4669 3  962.9174968  595161404603229 2    593326 2      C-13-H3C(O)CH3
  469112.9813  0.0976 -6.4672 3  962.9159968  595161404603229 1    593326 1      C-13-H3C(O)CH3
  469124.2339  0.0051 -4.2110 3  124.5091360  5951614042214 9 1    211110 1      C-13-H3C(O)CH3
  469125.1439  0.0359 -5.8296 3  675.8127388  595161404483711 4    4738 9 4      C-13-H3C(O)CH3
  469147.1031  0.1051 -6.3142 3  734.8013824  595161404513516 1    513219 1      C-13-H3C(O)CH3
  469180.4681  0.0304 -5.8286 3  675.7710388  595161404483712 4    473810 4      C-13-H3C(O)CH3
  469187.0065  0.1938 -6.1731 3  851.0119888  595161404553718 0    553421 0      C-13-H3C(O)CH3
  469202.6121  0.0036 -3.6452 3  177.7852204 -5951614042520 5 4    2419 5 4      C-13-H3C(O)CH3
  469211.4181  0.0194 -6.4143 3  812.1388A32  595161404641055 0    64 956 0      C-13-H3C(O)CH3
  469211.4181  0.0194 -4.8406 3  812.1388A32  595161404641055 0    64 856 0      C-13-H3C(O)CH3
  469211.4181  0.0194 -4.8323 3  812.1388A32  59516140464 955 0    64 956 0      C-13-H3C(O)CH3
  469250.0731  0.0325 -5.8292 3  675.7845388  595161404483712 3    473810 3      C-13-H3C(O)CH3
  469251.9847  0.0050 -4.2123 3  124.5029360  5951614042214 9 2    211110 2      C-13-H3C(O)CH3
  469257.3406  0.0316 -4.8290 3  812.1076A32  595161404641055 2    64 856 2      C-13-H3C(O)CH3
  469257.3406  0.0316 -4.8290 3  812.1076A32  59516140464 955 2    64 956 2      C-13-H3C(O)CH3
  469257.3919  0.0320 -4.8367 3  812.1078A32  59516140464 955 1    64 856 1      C-13-H3C(O)CH3
  469257.3919  0.0320 -6.5852 3  812.1078A32  59516140464 955 1    64 956 1      C-13-H3C(O)CH3
  469257.3919  0.0320 -4.8367 3  812.1078A32  595161404641055 1    64 956 1      C-13-H3C(O)CH3
  469257.3919  0.0320 -6.5852 3  812.1078A32  595161404641055 1    64 856 1      C-13-H3C(O)CH3
  469267.2699  0.0675 -5.9448 3  759.9119856  595161404532924 0    523221 0      C-13-H3C(O)CH3
  469276.8546  0.1320 -6.1197 3  791.8230856  595161404533617 0    533320 0      C-13-H3C(O)CH3
  469303.2075  0.0291 -5.2335 3  812.0766516  59516140464 955 4    64 856 4      C-13-H3C(O)CH3
  469303.2075  0.0291 -5.8029 3  812.0766516  59516140464 955 4    64 956 4      C-13-H3C(O)CH3
  469303.2075  0.0291 -5.2335 3  812.0766516  595161404641055 4    64 956 4      C-13-H3C(O)CH3
  469303.2075  0.0291 -5.8029 3  812.0766516  595161404641055 4    64 856 4      C-13-H3C(O)CH3
  469303.3626  0.0291 -5.1407 3  812.0766516  59516140464 955 3    64 856 3      C-13-H3C(O)CH3
  469303.3626  0.0291 -5.1407 3  812.0766516  595161404641055 3    64 956 3      C-13-H3C(O)CH3
  469329.7562  0.0032 -3.6453 3  177.7404204 -5951614042520 5 3    2419 5 3      C-13-H3C(O)CH3
  469366.4768  0.3001 -6.3896 3  912.3593920  595161404573819 1    573522 1      C-13-H3C(O)CH3
  469377.9420  0.0033 -3.6450 3  177.7338204 -5951614042520 6 3    2419 6 3      C-13-H3C(O)CH3
  469384.6952  0.0030 -3.3437 3  177.7840408 -5951614042520 5 1    2419 5 1      C-13-H3C(O)CH3
  469440.6268  0.0032 -3.3434 3  177.7925408 -5951614042520 5 2    2419 5 2      C-13-H3C(O)CH3
  469453.5999  0.0456 -6.3963 3  869.0301856  5951614045346 7 1    5247 5 1      C-13-H3C(O)CH3
  469489.6332  0.0049 -4.2124 3  124.4928360  5951614042214 9 0    211110 0      C-13-H3C(O)CH3
  469505.3309  0.0029 -3.6448 3  177.6891204 -5951614042520 6 4    2419 6 4      C-13-H3C(O)CH3
  469559.1430  0.0027 -3.3433 3  177.7327408 -5951614042520 6 1    2419 6 1      C-13-H3C(O)CH3
  469567.0124  0.0029 -3.3434 3  177.7478408 -5951614042520 6 2    2419 6 2      C-13-H3C(O)CH3
  469570.5305  0.0510 -6.3970 3  869.0097856  5951614045346 8 2    5247 5 2      C-13-H3C(O)CH3
  469593.3665  0.0122 -5.8710 3  449.7404664  595161404412319 0    412022 0      C-13-H3C(O)CH3
  469611.8760  0.4821 -6.4071 3  912.3581920  595161404573819 2    573522 2      C-13-H3C(O)CH3
  469618.5920  0.0029 -3.3429 3  177.7912408 -5951614042520 6 0    2419 5 0      C-13-H3C(O)CH3
  469622.8150  0.0154 -5.8710 3  449.7131664  595161404412319 2    412022 2      C-13-H3C(O)CH3
  469624.8148  0.0029 -3.3429 3  177.7911408 -5951614042520 5 0    2419 6 0      C-13-H3C(O)CH3
  469624.9025  0.1641 -6.3125 3  734.7996824  595161404513516 2    513219 2      C-13-H3C(O)CH3
  469670.6745  0.0493 -6.3966 3  869.0106856  5951614045346 8 1    5247 6 1      C-13-H3C(O)CH3
  469685.3146  0.0133 -5.8705 3  449.7159664  595161404412319 1    412022 1      C-13-H3C(O)CH3
  469694.7711  0.1272 -6.5101 3  791.8200856  595161404533618 1    533320 1      C-13-H3C(O)CH3
  469698.1922  0.0259 -5.7860 3  773.5073508  59516140463 855 4    63 856 4      C-13-H3C(O)CH3
  469698.1922  0.0259 -5.1973 3  773.5073508  59516140463 855 4    63 756 4      C-13-H3C(O)CH3
  469698.1922  0.0259 -5.7860 3  773.5073508  59516140463 955 4    63 756 4      C-13-H3C(O)CH3
  469698.1922  0.0259 -5.1973 3  773.5073508  59516140463 955 4    63 856 4      C-13-H3C(O)CH3
  469698.4729  0.0259 -6.0781 3  773.5073508  59516140463 955 3    63 856 3      C-13-H3C(O)CH3
  469698.4729  0.0259 -6.0781 3  773.5073508  59516140463 855 3    63 756 3      C-13-H3C(O)CH3
  469698.4729  0.0259 -5.1457 3  773.5073508  59516140463 955 3    63 756 3      C-13-H3C(O)CH3
  469698.4729  0.0259 -5.1457 3  773.5073508  59516140463 855 3    63 856 3      C-13-H3C(O)CH3
  469698.6411  0.0335 -5.1247 3  773.5386A16  59516140463 955 1    63 856 1      C-13-H3C(O)CH3
  469698.6411  0.0335 -5.0724 3  773.5386A16  59516140463 855 1    63 856 1      C-13-H3C(O)CH3
  469698.6411  0.0335 -5.0724 3  773.5386A16  59516140463 955 1    63 756 1      C-13-H3C(O)CH3
  469698.6411  0.0335 -5.1247 3  773.5386A16  59516140463 855 1    63 756 1      C-13-H3C(O)CH3
  469698.8636  0.0333 -5.4706 3  773.5384A16  59516140463 855 2    63 856 2      C-13-H3C(O)CH3
  469698.8636  0.0333 -4.9001 3  773.5384A16  59516140463 955 2    63 856 2      C-13-H3C(O)CH3
  469698.8636  0.0333 -5.4706 3  773.5384A16  59516140463 955 2    63 756 2      C-13-H3C(O)CH3
  469698.8636  0.0333 -4.9001 3  773.5384A16  59516140463 855 2    63 756 2      C-13-H3C(O)CH3
  469699.0306  0.0190 -5.2467 3  773.5696A16  59516140463 855 0    63 856 0      C-13-H3C(O)CH3
  469699.0306  0.0190 -4.9872 3  773.5696A16  59516140463 855 0    63 756 0      C-13-H3C(O)CH3
  469699.0306  0.0190 -4.9872 3  773.5696A16  59516140463 955 0    63 856 0      C-13-H3C(O)CH3
  469699.0306  0.0190 -5.2467 3  773.5696A16  59516140463 955 0    63 756 0      C-13-H3C(O)CH3
  469715.0278  0.0161 -6.1714 3  449.6885332  595161404412319 4    412022 4      C-13-H3C(O)CH3
  469715.5555  0.0161 -6.1714 3  449.6885332  595161404412319 3    412022 3      C-13-H3C(O)CH3
  469741.3824  0.0455 -6.3957 3  868.9892856  5951614045346 7 0    5247 6 0      C-13-H3C(O)CH3
  469741.3824  0.0455 -6.3957 3  868.9892856  5951614045346 8 0    5247 5 0      C-13-H3C(O)CH3
  469748.8519  0.0976 -5.7623 3 1444.6315C72  595161404792456 0    792257 0      C-13-H3C(O)CH3
  469748.8519  0.0976 -5.7623 3 1444.6315C72  595161404792356 0    792357 0      C-13-H3C(O)CH3
  469750.1984  0.1025 -5.7873 3 1444.6522C72  595161404792456 1    792257 1      C-13-H3C(O)CH3
  469750.1984  0.1025 -5.7873 3 1444.6522C72  595161404792356 1    792357 1      C-13-H3C(O)CH3
  469757.3947  0.1047 -5.9323 3 1444.6538C72  595161404792456 2    792357 2      C-13-H3C(O)CH3
  469757.3947  0.1047 -6.2498 3 1444.6538C72  595161404792456 2    792257 2      C-13-H3C(O)CH3
  469757.3947  0.1047 -6.2498 3 1444.6538C72  595161404792356 2    792357 2      C-13-H3C(O)CH3
  469757.3947  0.1047 -5.9323 3 1444.6538C72  595161404792356 2    792257 2      C-13-H3C(O)CH3
  469758.7951  0.0822 -6.1503 3 1444.6744636  595161404792456 3    792257 3      C-13-H3C(O)CH3
  469758.7951  0.0822 -6.1503 3 1444.6744636  595161404792356 3    792357 3      C-13-H3C(O)CH3
  469758.8507  0.0823 -6.0691 3 1444.6745636  595161404792456 4    792257 4      C-13-H3C(O)CH3
  469758.8507  0.0823 -6.0691 3 1444.6745636  595161404792356 4    792357 4      C-13-H3C(O)CH3
  469778.6050  0.1821 -6.6072 3  851.0070888  595161404553719 1    553421 1      C-13-H3C(O)CH3
  469789.2781  0.0046 -4.1120 3  183.2323212 -5951614042618 9 4    2517 9 4      C-13-H3C(O)CH3
  469800.4595  0.0027 -4.3651 3  367.1557356 -59516140444 639 3    43 538 3      C-13-H3C(O)CH3
  469800.4595  0.0027 -4.3651 3  367.1557356 -59516140444 539 3    43 638 3      C-13-H3C(O)CH3
  469800.4595  0.0027 -4.1340 3  367.1557356 -59516140444 639 4    43 538 4      C-13-H3C(O)CH3
  469800.4595  0.0027 -3.8267 3  367.1557356 -59516140444 539 4    43 538 4      C-13-H3C(O)CH3
  469800.5054  0.0027 -3.8267 3  367.1557356  59516140444 639 4    43 638 4      C-13-H3C(O)CH3
  469800.5054  0.0027 -4.1340 3  367.1557356  59516140444 539 4    43 638 4      C-13-H3C(O)CH3
  469800.5437  0.0027 -3.7463 3  367.1557356  59516140444 639 3    43 638 3      C-13-H3C(O)CH3
  469800.5437  0.0027 -3.7463 3  367.1557356  59516140444 539 3    43 538 3      C-13-H3C(O)CH3
  469837.2270  0.0033 -3.3533 3  367.1622712  59516140444 539 1    43 638 1      C-13-H3C(O)CH3
  469837.2270  0.0033 -5.7639 3  367.1622712  59516140444 639 1    43 638 1      C-13-H3C(O)CH3
  469837.4077  0.0033 -5.7639 3  367.1622712 -59516140444 539 1    43 538 1      C-13-H3C(O)CH3
  469837.4077  0.0033 -3.3580 3  367.1617712 -59516140444 639 2    43 538 2      C-13-H3C(O)CH3
  469837.4077  0.0033 -3.3533 3  367.1622712 -59516140444 639 1    43 538 1      C-13-H3C(O)CH3
  469837.4077  0.0033 -3.3580 3  367.1617712 -59516140444 539 2    43 638 2      C-13-H3C(O)CH3
  469837.5981  0.0033 -5.1879 3  367.1617712  59516140444 539 2    43 538 2      C-13-H3C(O)CH3
  469837.5981  0.0033 -5.1879 3  367.1617712  59516140444 639 2    43 638 2      C-13-H3C(O)CH3
  469874.2155  0.0026 -3.6473 3  367.1682712  59516140444 539 0    43 538 0      C-13-H3C(O)CH3
  469874.2155  0.0026 -3.6581 3  367.1682712  59516140444 639 0    43 538 0      C-13-H3C(O)CH3
  469874.2279  0.0026 -3.6473 3  367.1682712 -59516140444 639 0    43 638 0      C-13-H3C(O)CH3
  469874.2279  0.0026 -3.6581 3  367.1682712 -59516140444 539 0    43 638 0      C-13-H3C(O)CH3
  469911.6993  0.1780 -6.5038 3  791.8177856  595161404533618 2    533320 2      C-13-H3C(O)CH3
  469939.6748  0.0031 -4.0189 3  285.0914268  595161404331716 3    321815 3      C-13-H3C(O)CH3
  469940.8983  0.0029 -4.0189 3  285.0914268  595161404331716 4    321815 4      C-13-H3C(O)CH3
  469943.3053  0.0035 -5.0812 3  183.2444212  5951614042618 9 3    2517 9 3      C-13-H3C(O)CH3
  469946.5602  0.2552 -6.5879 3  851.0049888  595161404553719 2    553421 2      C-13-H3C(O)CH3
  469951.9646  0.1739 -6.5624 3  734.7958412  595161404513516 3    513219 3      C-13-H3C(O)CH3
  469972.7090  0.0038 -4.0482 3  183.2506424 -5951614042618 9 1    2517 9 1      C-13-H3C(O)CH3
  469989.6953  0.0495 -6.3964 3  868.9968856  5951614045346 7 2    5247 6 2      C-13-H3C(O)CH3
  469991.2752  0.0031 -3.7182 3  285.1101536 -595161404331716 2    321815 2      C-13-H3C(O)CH3
  469995.0883  0.0030 -3.7178 3  285.1158536 -595161404331716 1    321815 1      C-13-H3C(O)CH3
  470002.5061  0.0027 -3.9409 3  296.5749276  595161404341618 4    331717 4      C-13-H3C(O)CH3
  470002.6689  0.0027 -3.9409 3  296.5749276  595161404341618 3    331717 3      C-13-H3C(O)CH3
  470026.5336  0.0473 -5.9314 3  713.7486824  595161404513121 0    512824 0      C-13-H3C(O)CH3
  470035.1441  0.0028 -3.6399 3  296.6004552 -595161404341618 1    331717 1      C-13-H3C(O)CH3
  470046.4995  0.0027 -3.7181 3  285.1345536 -595161404331716 0    321815 0      C-13-H3C(O)CH3
  470048.0618  0.0029 -3.6400 3  296.5962552 -595161404341618 2    331717 2      C-13-H3C(O)CH3
  470049.9167  0.0028 -3.8905 3  307.3477284  595161404351520 4    341619 4      C-13-H3C(O)CH3
  470050.0703  0.0028 -3.8905 3  307.3477284  595161404351520 3    341619 3      C-13-H3C(O)CH3
  470051.6055  0.0028 -3.8905 3  307.3476284  595161404351620 4    341519 4      C-13-H3C(O)CH3
  470051.7663  0.0028 -3.8905 3  307.3476284  595161404351620 3    341519 3      C-13-H3C(O)CH3
  470067.7672  0.0231 -5.9909 3  735.5253500  59516140462 855 4    62 756 4      C-13-H3C(O)CH3
  470067.7672  0.0231 -5.1295 3  735.5253500  59516140462 755 4    62 756 4      C-13-H3C(O)CH3
  470067.7672  0.0231 -5.1295 3  735.5253500  59516140462 855 4    62 656 4      C-13-H3C(O)CH3
  470067.7672  0.0231 -5.9909 3  735.5253500  59516140462 755 4    62 656 4      C-13-H3C(O)CH3
  470068.1740  0.0231 -5.1080 3  735.5253500  59516140462 755 3    62 756 3      C-13-H3C(O)CH3
  470068.1740  0.0231 -6.1913 3  735.5253500  59516140462 855 3    62 756 3      C-13-H3C(O)CH3
  470068.1740  0.0231 -5.1080 3  735.5253500  59516140462 855 3    62 656 3      C-13-H3C(O)CH3
  470068.1740  0.0231 -6.1913 3  735.5253500  59516140462 755 3    62 656 3      C-13-H3C(O)CH3
  470077.7704  0.0030 -3.5895 3  307.3737568 -595161404351520 1    341619 1      C-13-H3C(O)CH3
  470079.3783  0.0030 -3.5895 3  307.3737568 -595161404351620 1    341519 1      C-13-H3C(O)CH3
  470080.3362  0.0025 -3.6400 3  296.6217552 -595161404341618 0    331717 0      C-13-H3C(O)CH3
  470084.3259  0.0036 -4.3239 3  183.2555424  5951614042618 9 2    2517 9 2      C-13-H3C(O)CH3
  470086.5696  0.0030 -3.5896 3  307.3706568 -595161404351520 2    341619 2      C-13-H3C(O)CH3
  470086.6401  0.0026 -3.9407 3  296.5727276  595161404341718 4    331617 4      C-13-H3C(O)CH3
  470087.0263  0.0027 -3.9407 3  296.5727276  595161404341718 3    331617 3      C-13-H3C(O)CH3
  470088.3021  0.0030 -3.5896 3  307.3706568 -595161404351620 2    341519 2      C-13-H3C(O)CH3
  470113.9884  0.0026 -3.5896 3  307.3966568 -595161404351520 0    341619 0      C-13-H3C(O)CH3
  470115.6353  0.0026 -3.5896 3  307.3966568 -595161404351620 0    341519 0      C-13-H3C(O)CH3
  470116.9716  0.0028 -3.6397 3  296.5983552 -595161404341718 1    331617 1      C-13-H3C(O)CH3
  470128.7358  0.0342 -5.0679 3  735.5544A00  59516140462 855 1    62 656 1      C-13-H3C(O)CH3
  470128.7358  0.0342 -5.0791 3  735.5544A00  59516140462 755 1    62 656 1      C-13-H3C(O)CH3
  470128.7358  0.0342 -5.0679 3  735.5544A00  59516140462 755 1    62 756 1      C-13-H3C(O)CH3
  470128.7358  0.0342 -5.0791 3  735.5544A00  59516140462 855 1    62 756 1      C-13-H3C(O)CH3
  470129.3039  0.0341 -4.9458 3  735.5541A00  59516140462 855 2    62 656 2      C-13-H3C(O)CH3
  470129.3039  0.0341 -5.2550 3  735.5541A00  59516140462 755 2    62 656 2      C-13-H3C(O)CH3
  470129.3039  0.0341 -5.2550 3  735.5541A00  59516140462 855 2    62 756 2      C-13-H3C(O)CH3
  470129.3039  0.0341 -4.9458 3  735.5541A00  59516140462 755 2    62 756 2      C-13-H3C(O)CH3
  470132.9494  0.0028 -3.6398 3  296.5940552 -595161404341718 2    331617 2      C-13-H3C(O)CH3
  470162.6901  0.0024 -3.6398 3  296.6195552 -595161404341718 0    331617 0      C-13-H3C(O)CH3
  470167.7198  0.0483 -5.9308 3  713.7424824  595161404513121 1    512824 1      C-13-H3C(O)CH3
  470173.9555  0.0408 -5.9310 3  713.7408824  595161404513121 2    512824 2      C-13-H3C(O)CH3
  470189.7951  0.0194 -5.0208 3  735.5831A00  59516140462 755 0    62 656 0      C-13-H3C(O)CH3
  470189.7951  0.0194 -5.1332 3  735.5831A00  59516140462 855 0    62 656 0      C-13-H3C(O)CH3
  470189.7951  0.0194 -5.1332 3  735.5831A00  59516140462 755 0    62 756 0      C-13-H3C(O)CH3
  470189.7951  0.0194 -5.0208 3  735.5831A00  59516140462 855 0    62 756 0      C-13-H3C(O)CH3
  470303.4996  0.0380 -6.2316 3  713.7345412  595161404513121 4    512824 4      C-13-H3C(O)CH3
  470331.8295  0.0371 -6.2315 3  713.7345412  595161404513121 3    512824 3      C-13-H3C(O)CH3
  470350.6466  0.0519 -6.4736 3  826.3135420  5951614045244 8 4    5145 6 4      C-13-H3C(O)CH3
  470356.0026  0.0442 -6.2355 3  626.9638760  595161404473315 1    473018 1      C-13-H3C(O)CH3
  470367.7695  0.0368 -6.1714 3  826.2959840  5951614045244 8 1    5145 6 1      C-13-H3C(O)CH3
  470411.1805  0.0215 -5.1618 3  698.1317492  59516140461 755 4    61 556 4      C-13-H3C(O)CH3
  470411.1805  0.0215 -5.7377 3  698.1317492  59516140461 755 4    61 656 4      C-13-H3C(O)CH3
  470411.1805  0.0215 -5.1618 3  698.1317492  59516140461 655 4    61 656 4      C-13-H3C(O)CH3
  470411.1805  0.0215 -5.7377 3  698.1317492  59516140461 655 4    61 556 4      C-13-H3C(O)CH3
  470411.6915  0.0213 -5.3995 3  698.1317492  59516140461 655 3    61 556 3      C-13-H3C(O)CH3
  470411.6915  0.0213 -5.3248 3  698.1317492  59516140461 655 3    61 656 3      C-13-H3C(O)CH3
  470411.6915  0.0213 -5.3995 3  698.1317492  59516140461 755 3    61 656 3      C-13-H3C(O)CH3
  470411.6915  0.0213 -5.3248 3  698.1317492  59516140461 755 3    61 556 3      C-13-H3C(O)CH3
  470419.0057  0.0199 -5.8677 3  574.6728744  595161404462720 0    462423 0      C-13-H3C(O)CH3
  470423.8006  0.0225 -5.1336 3  576.2738728  595161404453214 2    443312 2      C-13-H3C(O)CH3
  470434.7469  0.0961 -5.7793 3 1397.3610C56  595161404782256 0    782157 0      C-13-H3C(O)CH3
  470434.7469  0.0961 -6.3694 3 1397.3610C56  595161404782356 0    782157 0      C-13-H3C(O)CH3
  470434.7469  0.0961 -6.6000 3 1397.3610C56  595161404782256 0    782257 0      C-13-H3C(O)CH3
  470434.7469  0.0961 -5.7356 3 1397.3610C56  595161404782356 0    782257 0      C-13-H3C(O)CH3
  470444.8183  0.0435 -5.9941 3  626.9666760  595161404473315 0    473018 0      C-13-H3C(O)CH3
  470450.2481  0.1052 -5.8789 3 1397.3808C56  595161404782356 1    782257 1      C-13-H3C(O)CH3
  470450.2481  0.1052 -5.8789 3 1397.3808C56  595161404782256 1    782157 1      C-13-H3C(O)CH3
  470450.2481  0.1052 -6.1146 3 1397.3808C56  595161404782256 1    782257 1      C-13-H3C(O)CH3
  470450.2481  0.1052 -6.1146 3 1397.3808C56  595161404782356 1    782157 1      C-13-H3C(O)CH3
  470457.3411  0.1069 -5.8406 3 1397.3821C56  595161404782256 2    782157 2      C-13-H3C(O)CH3
  470457.3411  0.1069 -5.8406 3 1397.3821C56  595161404782356 2    782257 2      C-13-H3C(O)CH3
  470457.3411  0.1069 -6.1896 3 1397.3821C56  595161404782256 2    782257 2      C-13-H3C(O)CH3
  470457.3411  0.1069 -6.1896 3 1397.3821C56  595161404782356 2    782157 2      C-13-H3C(O)CH3
  470462.8691  0.0258 -5.8674 3  574.6538744  595161404462720 2    462423 2      C-13-H3C(O)CH3
  470472.9100  0.0793 -6.0271 3 1397.4020628  595161404782356 3    782157 3      C-13-H3C(O)CH3
  470472.9100  0.0793 -6.0271 3 1397.4020628  595161404782256 3    782257 3      C-13-H3C(O)CH3
  470472.9906  0.0793 -6.1078 3 1397.4020628  595161404782356 4    782257 4      C-13-H3C(O)CH3
  470472.9906  0.0793 -6.1078 3 1397.4020628  595161404782256 4    782157 4      C-13-H3C(O)CH3
  470472.9906  0.0793 -6.5775 3 1397.4020628  595161404782256 4    782257 4      C-13-H3C(O)CH3
  470472.9906  0.0793 -6.5775 3 1397.4020628  595161404782356 4    782157 4      C-13-H3C(O)CH3
  470482.3463  0.0213 -5.1340 3  576.2740728  595161404453214 0    443311 0      C-13-H3C(O)CH3
  470495.6238  0.0213 -5.1340 3  576.2740728  595161404453213 0    443312 0      C-13-H3C(O)CH3
  470504.7277  0.0219 -5.8670 3  574.6563744  595161404462720 1    462423 1      C-13-H3C(O)CH3
  470526.2871  0.0245 -5.4346 3  576.2574364  595161404453214 4    443312 4      C-13-H3C(O)CH3
  470536.3080  0.0030 -3.8520 3  317.4716292  595161404361422 4    351521 4      C-13-H3C(O)CH3
  470536.3312  0.0030 -3.8520 3  317.4716292  595161404361522 4    351421 4      C-13-H3C(O)CH3
  470536.4267  0.0030 -3.8520 3  317.4716292  595161404361422 3    351521 3      C-13-H3C(O)CH3
  470536.4500  0.0030 -3.8520 3  317.4716292  595161404361522 3    351421 3      C-13-H3C(O)CH3
  470546.8675  0.0271 -6.1676 3  574.6372372  595161404462720 4    462423 4      C-13-H3C(O)CH3
  470548.8394  0.0330 -5.5017 3  698.1557984  59516140461 655 1    61 656 1      C-13-H3C(O)CH3
  470548.8394  0.0330 -5.5017 3  698.1557984  59516140461 755 1    61 556 1      C-13-H3C(O)CH3
  470548.8394  0.0330 -4.8447 3  698.1557984  59516140461 655 1    61 556 1      C-13-H3C(O)CH3
  470548.8394  0.0330 -4.8447 3  698.1557984  59516140461 755 1    61 656 1      C-13-H3C(O)CH3
  470549.7398  0.0327 -4.7912 3  698.1554984  59516140461 755 2    61 556 2      C-13-H3C(O)CH3
  470549.7398  0.0327 -4.7912 3  698.1554984  59516140461 655 2    61 656 2      C-13-H3C(O)CH3
  470549.7398  0.0327 -5.8936 3  698.1554984  59516140461 755 2    61 656 2      C-13-H3C(O)CH3
  470549.7398  0.0327 -5.8936 3  698.1554984  59516140461 655 2    61 556 2      C-13-H3C(O)CH3
  470552.3910  0.0267 -6.1676 3  574.6372372  595161404462720 3    462423 3      C-13-H3C(O)CH3
  470562.0868  0.0032 -3.5510 3  317.4979584 -595161404361522 1    351421 1      C-13-H3C(O)CH3
  470562.0868  0.0032 -3.5510 3  317.4979584 -595161404361422 1    351521 1      C-13-H3C(O)CH3
  470564.9362  0.0412 -6.1718 3  826.2772840  5951614045244 9 2    5145 6 2      C-13-H3C(O)CH3
  470566.1732  0.0238 -5.4351 3  576.2857364  595161404453214 3    443311 3      C-13-H3C(O)CH3
  470567.9753  0.0032 -3.5510 3  317.4955584 -595161404361522 2    351421 2      C-13-H3C(O)CH3
  470567.9753  0.0032 -3.5510 3  317.4955584 -595161404361422 2    351521 2      C-13-H3C(O)CH3
  470582.5587  0.0357 -6.1707 3  826.2593840  5951614045244 8 0    5145 6 0      C-13-H3C(O)CH3
  470582.5587  0.0357 -6.1707 3  826.2593840  5951614045244 9 0    5145 7 0      C-13-H3C(O)CH3
  470583.4142  0.1486 -6.3474 3  791.8200856  595161404533617 1    533320 1      C-13-H3C(O)CH3
  470590.7988  0.0224 -5.1339 3  576.2577728  595161404453214 1    443312 1      C-13-H3C(O)CH3
  470593.6569  0.0027 -3.5510 3  317.5218584 -595161404361522 0    351421 0      C-13-H3C(O)CH3
  470593.6569  0.0027 -3.5510 3  317.5218584 -595161404361422 0    351521 0      C-13-H3C(O)CH3
  470595.7918  0.0598 -6.4834 3  626.9588380  595161404473315 4    473018 4      C-13-H3C(O)CH3
  470596.8886  0.0518 -6.2192 3  626.9650760  595161404473315 2    473018 2      C-13-H3C(O)CH3
  470599.8670  0.4388 -6.5623 3  912.3503460  595161404573819 3    573522 3      C-13-H3C(O)CH3
  470600.4019  0.0519 -6.4736 3  826.2908420  5951614045244 9 3    5145 7 3      C-13-H3C(O)CH3
  470616.5456  0.0405 -6.1714 3  826.2731840  5951614045244 9 1    5145 7 1      C-13-H3C(O)CH3
  470628.3892  0.2122 -6.3737 3  851.0070888  595161404553718 1    553421 1      C-13-H3C(O)CH3
  470633.1216  0.0222 -5.1341 3  576.2858728  595161404453213 1    443311 1      C-13-H3C(O)CH3
  470686.7173  0.0196 -4.7598 3  698.1793984  59516140461 655 0    61 656 0      C-13-H3C(O)CH3
  470686.7173  0.0196 -4.7598 3  698.1793984  59516140461 755 0    61 556 0      C-13-H3C(O)CH3
  470692.0158  0.0469 -6.4727 3  826.3040420  5951614045244 8 3    5145 6 3      C-13-H3C(O)CH3
  470707.7810  0.0574 -6.2299 3  517.2046696  595161404432915 2    423012 2      C-13-H3C(O)CH3
  470715.5493  0.0216 -5.1337 3  576.3009728  595161404453213 2    443311 2      C-13-H3C(O)CH3
  470727.6394  0.0221 -5.0698 3  661.3277484  59516140460 555 4    60 456 4      C-13-H3C(O)CH3
  470727.6394  0.0221 -5.0698 3  661.3277484  59516140460 655 4    60 556 4      C-13-H3C(O)CH3
  470728.1971  0.0217 -5.0592 3  661.3277484  59516140460 655 3    60 556 3      C-13-H3C(O)CH3
  470728.1971  0.0217 -5.0592 3  661.3277484  59516140460 555 3    60 456 3      C-13-H3C(O)CH3
  470744.6173  0.1782 -6.5961 3  734.7998412  595161404513516 4    513219 4      C-13-H3C(O)CH3
  470816.1293  0.0216 -5.4349 3  576.2845364  595161404453213 3    443312 3      C-13-H3C(O)CH3
  470858.2219  0.0244 -5.4349 3  576.3127364  595161404453213 4    443311 4      C-13-H3C(O)CH3
  470902.9679  0.0026 -3.6385 3  371.6399364 -59516140445 541 4    44 540 4      C-13-H3C(O)CH3
  470902.9679  0.0026 -4.9288 3  371.6399364 -59516140445 441 3    44 540 3      C-13-H3C(O)CH3
  470902.9679  0.0026 -4.9288 3  371.6399364 -59516140445 541 3    44 440 3      C-13-H3C(O)CH3
  470902.9679  0.0026 -3.6385 3  371.6399364 -59516140445 441 4    44 440 4      C-13-H3C(O)CH3
  470903.0054  0.0026 -5.7549 3  371.6399364  59516140445 441 4    44 540 4      C-13-H3C(O)CH3
  470903.0054  0.0026 -5.7549 3  371.6399364  59516140445 541 4    44 440 4      C-13-H3C(O)CH3
  470903.0272  0.0026 -3.6579 3  371.6399364  59516140445 441 3    44 440 3      C-13-H3C(O)CH3
  470903.0272  0.0026 -3.6579 3  371.6399364  59516140445 541 3    44 540 3      C-13-H3C(O)CH3
  470905.4366  0.0389 -6.1710 3  826.2675840  5951614045244 8 2    5145 7 2      C-13-H3C(O)CH3
  470939.0074  0.0033 -3.5205 3  371.6387728  59516140445 541 1    44 440 1      C-13-H3C(O)CH3
  470939.0074  0.0033 -3.7913 3  371.6387728  59516140445 441 1    44 440 1      C-13-H3C(O)CH3
  470939.1014  0.0033 -3.7913 3  371.6387728 -59516140445 541 1    44 540 1      C-13-H3C(O)CH3
  470939.1014  0.0033 -3.5205 3  371.6387728 -59516140445 441 1    44 540 1      C-13-H3C(O)CH3
  470939.1014  0.0033 -3.4230 3  371.6382728 -59516140445 441 2    44 540 2      C-13-H3C(O)CH3
  470939.1014  0.0033 -3.4230 3  371.6382728 -59516140445 541 2    44 440 2      C-13-H3C(O)CH3
  470939.2411  0.0033 -4.0668 3  371.6382728  59516140445 441 2    44 440 2      C-13-H3C(O)CH3
  470939.2411  0.0033 -4.0668 3  371.6382728  59516140445 541 2    44 540 2      C-13-H3C(O)CH3
  470940.4790  0.0514 -6.4728 3  826.2812420  5951614045244 9 4    5145 7 4      C-13-H3C(O)CH3
  470960.1377  0.0304 -4.7589 3  661.3432968  59516140460 555 1    60 556 1      C-13-H3C(O)CH3
  470960.1377  0.0304 -4.7589 3  661.3432968  59516140460 655 1    60 456 1      C-13-H3C(O)CH3
  470961.2458  0.0294 -6.0618 3  661.3429968  59516140460 555 2    60 556 2      C-13-H3C(O)CH3
  470961.2458  0.0294 -4.7794 3  661.3429968  59516140460 555 2    60 456 2      C-13-H3C(O)CH3
  470961.2458  0.0294 -6.0618 3  661.3429968  59516140460 655 2    60 456 2      C-13-H3C(O)CH3
  470961.2458  0.0294 -4.7794 3  661.3429968  59516140460 655 2    60 556 2      C-13-H3C(O)CH3
  470975.1516  0.0026 -4.9626 3  371.6370728  59516140445 441 0    44 440 0      C-13-H3C(O)CH3
  470975.1516  0.0026 -3.3444 3  371.6370728  59516140445 541 0    44 440 0      C-13-H3C(O)CH3
  470975.1833  0.0026 -3.3444 3  371.6370728 -59516140445 441 0    44 540 0      C-13-H3C(O)CH3
  470975.1833  0.0026 -4.9626 3  371.6370728 -59516140445 541 0    44 540 0      C-13-H3C(O)CH3
  470987.4498  0.3446 -6.3862 3  851.0049888  595161404553718 2    553421 2      C-13-H3C(O)CH3
  471016.3295  0.0262 -5.1847 3  625.1145476  59516140459 555 4    59 456 4      C-13-H3C(O)CH3
  471016.3295  0.0262 -5.7364 3  625.1145476  59516140459 455 4    59 456 4      C-13-H3C(O)CH3
  471016.3295  0.0262 -5.7364 3  625.1145476  59516140459 555 4    59 356 4      C-13-H3C(O)CH3
  471016.3295  0.0262 -5.1847 3  625.1145476  59516140459 455 4    59 356 4      C-13-H3C(O)CH3
  471016.8238  0.0256 -5.9477 3  625.1144476  59516140459 455 3    59 356 3      C-13-H3C(O)CH3
  471016.8238  0.0256 -5.1401 3  625.1144476  59516140459 555 3    59 356 3      C-13-H3C(O)CH3
  471016.8238  0.0256 -5.9477 3  625.1144476  59516140459 555 3    59 456 3      C-13-H3C(O)CH3
  471016.8238  0.0256 -5.1401 3  625.1144476  59516140459 455 3    59 456 3      C-13-H3C(O)CH3
  471019.2162  0.2398 -6.3529 3  791.8177856  595161404533617 2    533320 2      C-13-H3C(O)CH3
  471095.3353  0.0944 -5.6478 3 1350.6641C40  595161404772156 0    772157 0      C-13-H3C(O)CH3
  471095.3353  0.0944 -6.5857 3 1350.6641C40  595161404772256 0    772157 0      C-13-H3C(O)CH3
  471095.3353  0.0944 -6.5857 3 1350.6641C40  595161404772156 0    772057 0      C-13-H3C(O)CH3
  471095.3353  0.0944 -5.6478 3 1350.6641C40  595161404772256 0    772057 0      C-13-H3C(O)CH3
  471126.1410  0.1067 -5.6015 3 1350.6824C40  595161404772256 1    772157 1      C-13-H3C(O)CH3
  471126.1410  0.1067 -5.6175 3 1350.6824C40  595161404772156 1    772057 1      C-13-H3C(O)CH3
  471132.8774  0.1080 -5.9035 3 1350.6833C40  595161404772156 2    772157 2      C-13-H3C(O)CH3
  471132.8774  0.1080 -5.8992 3 1350.6833C40  595161404772156 2    772057 2      C-13-H3C(O)CH3
  471132.8774  0.1080 -5.8992 3 1350.6833C40  595161404772256 2    772157 2      C-13-H3C(O)CH3
  471132.8774  0.1080 -5.9035 3 1350.6833C40  595161404772256 2    772057 2      C-13-H3C(O)CH3
  471163.7645  0.0764 -6.3062 3 1350.7016620  595161404772256 3    772157 3      C-13-H3C(O)CH3
  471163.7645  0.0764 -6.1186 3 1350.7016620  595161404772256 3    772057 3      C-13-H3C(O)CH3
  471163.7645  0.0764 -6.1186 3 1350.7016620  595161404772156 3    772157 3      C-13-H3C(O)CH3
  471163.7645  0.0764 -6.3062 3 1350.7016620  595161404772156 3    772057 3      C-13-H3C(O)CH3
  471163.8709  0.0765 -5.9044 3 1350.7017620  595161404772156 4    772157 4      C-13-H3C(O)CH3
  471163.8709  0.0765 -5.9084 3 1350.7017620  595161404772256 4    772057 4      C-13-H3C(O)CH3
  471189.1628  0.0399 -5.5934 3  620.6962776  595161404482722 0    472819 0      C-13-H3C(O)CH3
  471192.8697  0.0197 -5.4306 3  661.3583968  59516140460 555 0    60 456 0      C-13-H3C(O)CH3
  471192.8697  0.0197 -5.2239 3  661.3583968  59516140460 655 0    60 556 0      C-13-H3C(O)CH3
  471192.8697  0.0197 -4.9381 3  661.3583968  59516140460 555 0    60 556 0      C-13-H3C(O)CH3
  471192.8697  0.0197 -4.8604 3  661.3583968  59516140460 655 0    60 456 0      C-13-H3C(O)CH3
  471202.0373  0.0385 -5.9188 3  517.1859696  595161404432915 1    423012 1      C-13-H3C(O)CH3
  471239.5482  0.0833 -6.2373 3  654.0209396  595161404492821 3    492524 3      C-13-H3C(O)CH3
  471246.1275  0.0843 -6.2373 3  654.0209396  595161404492821 4    492524 4      C-13-H3C(O)CH3
  471262.0864  0.0031 -3.8204 3  326.9875300 -595161404371424 4    361323 4      C-13-H3C(O)CH3
  471262.0864  0.0031 -3.8204 3  326.9875300 -595161404371324 3    361423 3      C-13-H3C(O)CH3
  471262.0864  0.0031 -3.8204 3  326.9875300 -595161404371324 4    361423 4      C-13-H3C(O)CH3
  471262.0864  0.0031 -3.8204 3  326.9875300 -595161404371424 3    361323 3      C-13-H3C(O)CH3
  471262.8878  0.0079 -6.3644 3   91.4006156  5951614041913 7 4    1810 9 4      C-13-H3C(O)CH3
  471276.4382  0.0343 -5.1272 3  589.4931468  59516140458 455 4    58 256 4      C-13-H3C(O)CH3
  471276.4382  0.0343 -5.1272 3  589.4931468  59516140458 355 4    58 356 4      C-13-H3C(O)CH3
  471276.6840  0.0335 -5.1357 3  589.4931468  59516140458 355 3    58 356 3      C-13-H3C(O)CH3
  471276.6840  0.0335 -5.1251 3  589.4931468  59516140458 455 3    58 256 3      C-13-H3C(O)CH3
  471279.3335  0.0560 -6.3647 3  626.9638760  595161404473314 1    473018 1      C-13-H3C(O)CH3
  471287.2196  0.0033 -3.5194 3  327.0138600 -595161404371424 1    361323 1      C-13-H3C(O)CH3
  471287.2196  0.0033 -3.5194 3  327.0138600 -595161404371324 1    361423 1      C-13-H3C(O)CH3
  471291.3353  0.0033 -3.5194 3  327.0119600 -595161404371324 2    361423 2      C-13-H3C(O)CH3
  471291.3353  0.0033 -3.5194 3  327.0119600 -595161404371424 2    361323 2      C-13-H3C(O)CH3
  471313.7877  0.0633 -6.5359 3  626.9657380  595161404473315 3    473018 3      C-13-H3C(O)CH3
  471316.2299  0.0028 -3.5195 3  327.0382600 -595161404371424 0    361323 0      C-13-H3C(O)CH3
  471316.2299  0.0028 -3.5195 3  327.0382600 -595161404371324 0    361423 0      C-13-H3C(O)CH3
  471363.8338  0.0298 -4.9065 3  625.1174952  59516140459 455 1    59 456 1      C-13-H3C(O)CH3
  471363.8338  0.0298 -4.9065 3  625.1174952  59516140459 555 1    59 356 1      C-13-H3C(O)CH3
  471363.8338  0.0298 -5.3596 3  625.1174952  59516140459 555 1    59 456 1      C-13-H3C(O)CH3
  471363.8338  0.0298 -5.3596 3  625.1174952  59516140459 455 1    59 356 1      C-13-H3C(O)CH3
  471364.8865  0.0272 -4.7808 3  625.1171952  59516140459 455 2    59 356 2      C-13-H3C(O)CH3
  471364.8865  0.0272 -4.7808 3  625.1171952  59516140459 555 2    59 456 2      C-13-H3C(O)CH3
  471374.9948  0.0078 -6.5307 3   60.9441132  5951614041611 6 4    15 6 9 4      C-13-H3C(O)CH3
  471396.3061  0.0063 -3.8608 3  183.2444212 -5951614042618 8 3    2517 9 3      C-13-H3C(O)CH3
  471442.9799  0.0832 -5.9370 3  654.0316792  595161404492821 2    492524 2      C-13-H3C(O)CH3
  471505.0121  0.0552 -5.8760 3  517.1822348  595161404432915 3    423012 3      C-13-H3C(O)CH3
  471506.8889  0.0458 -5.2322 3  554.4649460  59516140457 355 3    57 156 3      C-13-H3C(O)CH3
  471506.8889  0.0458 -5.2322 3  554.4649460  59516140457 255 3    57 256 3      C-13-H3C(O)CH3
  471507.1810  0.0466 -5.3389 3  554.4649460  59516140457 255 4    57 256 4      C-13-H3C(O)CH3
  471507.1810  0.0466 -5.8605 3  554.4649460  59516140457 255 4    57 156 4      C-13-H3C(O)CH3
  471507.1810  0.0466 -5.8605 3  554.4649460  59516140457 355 4    57 256 4      C-13-H3C(O)CH3
  471507.1810  0.0466 -5.3389 3  554.4649460  59516140457 355 4    57 156 4      C-13-H3C(O)CH3
  471535.2852  0.0366 -5.5899 3  620.6730776  595161404482722 1    472819 1      C-13-H3C(O)CH3
  471544.0279  0.2437 -6.5564 3  791.8135428  595161404533617 3    533320 3      C-13-H3C(O)CH3
  471569.6583  0.0029 -3.5325 3  183.2681424 -5951614042618 8 0    2517 9 0      C-13-H3C(O)CH3
  471593.6516  0.0236 -6.4283 3  365.3576568  5951614043529 7 1    352610 1      C-13-H3C(O)CH3
  471593.7876  0.0440 -5.9367 3  654.0334792  595161404492821 1    492524 1      C-13-H3C(O)CH3
  471647.0821  0.0078 -3.6100 3  183.2555424 -5951614042618 8 2    2517 9 2      C-13-H3C(O)CH3
  471701.7727  0.2270 -6.5450 3 1879.9561E16  595161404883257 0    883158 0      C-13-H3C(O)CH3
  471701.7727  0.2270 -6.5450 3 1879.9561E16  595161404883157 0    883058 0      C-13-H3C(O)CH3
  471706.5725  0.0631 -5.4508 3  520.0310452  59516140456 255 3    56 156 3      C-13-H3C(O)CH3
  471706.5725  0.0631 -5.4508 3  520.0310452  59516140456 155 3    56 056 3      C-13-H3C(O)CH3
  471707.8323  0.0637 -5.4555 3  520.0310452  59516140456 155 4    56 156 4      C-13-H3C(O)CH3
  471707.8323  0.0637 -5.4524 3  520.0310452  59516140456 255 4    56 056 4      C-13-H3C(O)CH3
  471711.3623  0.0219 -4.7855 3  625.1201952  59516140459 455 0    59 456 0      C-13-H3C(O)CH3
  471711.3623  0.0219 -4.7855 3  625.1201952  59516140459 555 0    59 356 0      C-13-H3C(O)CH3
  471711.3623  0.0219 -6.3806 3  625.1201952  59516140459 455 0    59 356 0      C-13-H3C(O)CH3
  471711.3623  0.0219 -6.3806 3  625.1201952  59516140459 555 0    59 456 0      C-13-H3C(O)CH3
  471727.9792  0.0240 -6.4272 3  365.3798568  5951614043529 6 2    3526 9 2      C-13-H3C(O)CH3
  471731.8446  0.0917 -6.1133 3 1304.5417C24  595161404762156 0    762057 0      C-13-H3C(O)CH3
  471731.8446  0.0917 -5.6519 3 1304.5417C24  595161404762056 0    762057 0      C-13-H3C(O)CH3
  471731.8446  0.0917 -6.1133 3 1304.5417C24  595161404762056 0    761957 0      C-13-H3C(O)CH3
  471731.8446  0.0917 -5.6519 3 1304.5417C24  595161404762156 0    761957 0      C-13-H3C(O)CH3
  471732.9621  0.0194 -4.9208 3  517.1828696  595161404432915 0    423012 0      C-13-H3C(O)CH3
  471734.2813  0.3324 -6.5489 3  850.9993444  595161404553718 3    553421 3      C-13-H3C(O)CH3
  471735.1325  0.0336 -5.9639 3  784.8713824  5951614045142 9 1    5043 7 1      C-13-H3C(O)CH3
  471735.2063  0.0230 -4.9421 3  517.1703696  595161404432915 2    423013 2      C-13-H3C(O)CH3
  471752.0657  0.0765 -6.3913 3  626.9650760  595161404473314 2    473018 2      C-13-H3C(O)CH3
  471761.1427  0.0384 -4.8258 3  589.4790936  59516140458 355 1    58 356 1      C-13-H3C(O)CH3
  471761.1427  0.0384 -4.8258 3  589.4790936  59516140458 455 1    58 256 1      C-13-H3C(O)CH3
  471761.7096  0.0345 -4.8231 3  589.4786936  59516140458 455 2    58 256 2      C-13-H3C(O)CH3
  471761.7096  0.0345 -4.8231 3  589.4786936  59516140458 355 2    58 356 2      C-13-H3C(O)CH3
  471764.5859  0.0236 -5.3304 3  517.1735348  595161404432915 3    423013 3      C-13-H3C(O)CH3
  471778.7190  0.1062 -6.5613 3 1304.5578C24  595161404762156 1    761957 1      C-13-H3C(O)CH3
  471778.7190  0.1062 -5.5645 3 1304.5578C24  595161404762156 1    762057 1      C-13-H3C(O)CH3
  471778.7190  0.1062 -6.5613 3 1304.5578C24  595161404762056 1    762057 1      C-13-H3C(O)CH3
  471778.7190  0.1062 -5.5645 3 1304.5578C24  595161404762056 1    761957 1      C-13-H3C(O)CH3
  471779.7982  0.0270 -5.2297 3  517.1479348  595161404432915 4    423013 4      C-13-H3C(O)CH3
  471784.8844  0.1073 -5.6660 3 1304.5584C24  595161404762156 2    761957 2      C-13-H3C(O)CH3
  471784.8844  0.1073 -6.0744 3 1304.5584C24  595161404762156 2    762057 2      C-13-H3C(O)CH3
  471784.8844  0.1073 -5.6660 3 1304.5584C24  595161404762056 2    762057 2      C-13-H3C(O)CH3
  471784.8844  0.1073 -6.0744 3 1304.5584C24  595161404762056 2    761957 2      C-13-H3C(O)CH3
  471792.1624  0.0472 -5.9375 3  654.0441792  595161404492821 0    492524 0      C-13-H3C(O)CH3
  471825.5960  0.0724 -5.5866 3  620.6604776  595161404482722 2    472819 2      C-13-H3C(O)CH3
  471828.8344  0.0092 -3.6930 3  183.2506424 -5951614042618 8 1    2517 9 1      C-13-H3C(O)CH3
  471829.2734  0.0229 -6.4313 3  365.3686568  5951614043529 7 2    352610 2      C-13-H3C(O)CH3
  471831.8539  0.0733 -6.1561 3 1304.5745612  595161404762056 3    761957 3      C-13-H3C(O)CH3
  471831.8539  0.0733 -6.0957 3 1304.5745612  595161404762056 3    762057 3      C-13-H3C(O)CH3
  471831.8539  0.0733 -6.1561 3 1304.5745612  595161404762156 3    762057 3      C-13-H3C(O)CH3
  471831.8539  0.0733 -6.0957 3 1304.5745612  595161404762156 3    761957 3      C-13-H3C(O)CH3
  471831.9861  0.0734 -5.9072 3 1304.5745612  595161404762156 4    762057 4      C-13-H3C(O)CH3
  471831.9861  0.0734 -6.5814 3 1304.5745612  595161404762156 4    761957 4      C-13-H3C(O)CH3
  471831.9861  0.0734 -5.9072 3 1304.5745612  595161404762056 4    761957 4      C-13-H3C(O)CH3
  471831.9861  0.0734 -6.5814 3 1304.5745612  595161404762056 4    762057 4      C-13-H3C(O)CH3
  471854.2039  0.0436 -6.2657 3  784.8890412  5951614045142 9 4    5043 7 4      C-13-H3C(O)CH3
  471860.3862  0.0314 -5.9632 3  784.8391824  595161404514210 0    5043 7 0      C-13-H3C(O)CH3
  471860.3862  0.0314 -5.9632 3  784.8391824  5951614045142 9 0    5043 8 0      C-13-H3C(O)CH3
  471874.0782  0.0053 -6.5017 3   60.9441132  5951614041611 6 3    15 6 9 3      C-13-H3C(O)CH3
  471961.2536  0.0054 -6.4797 3   91.3779312  5951614041913 7 1    1810 9 1      C-13-H3C(O)CH3
  471969.5355  0.0206 -4.9664 3  517.1603696  595161404432915 1    423013 1      C-13-H3C(O)CH3
  471977.9267  0.0370 -5.9637 3  784.8466824  595161404514210 1    5043 8 1      C-13-H3C(O)CH3
  471978.0448  0.0352 -5.9640 3  784.8570824  5951614045142 9 2    5043 7 2      C-13-H3C(O)CH3
  472013.6581  0.0245 -6.4264 3  365.3614568  5951614043529 6 1    3526 9 1      C-13-H3C(O)CH3
  472014.2409  0.0026 -4.1761 3  375.5855372 -59516140446 443 3    45 342 3      C-13-H3C(O)CH3
  472014.2409  0.0026 -3.7584 3  375.5855372 -59516140446 343 3    45 342 3      C-13-H3C(O)CH3
  472014.2409  0.0026 -3.6775 3  375.5856372 -59516140446 443 4    45 442 4      C-13-H3C(O)CH3
  472014.2409  0.0026 -3.6775 3  375.5856372 -59516140446 343 4    45 342 4      C-13-H3C(O)CH3
  472014.2497  0.0026 -4.5094 3  375.5856372  59516140446 443 4    45 342 4      C-13-H3C(O)CH3
  472014.2497  0.0026 -4.5094 3  375.5856372  59516140446 343 4    45 442 4      C-13-H3C(O)CH3
  472014.2536  0.0026 -4.1761 3  375.5855372  59516140446 343 3    45 442 3      C-13-H3C(O)CH3
  472014.2536  0.0026 -3.7584 3  375.5855372  59516140446 443 3    45 442 3      C-13-H3C(O)CH3
  472047.6777  0.0033 -3.3320 3  375.5740744  59516140446 443 1    45 442 1      C-13-H3C(O)CH3
  472047.6777  0.0033 -3.3320 3  375.5740744  59516140446 343 1    45 342 1      C-13-H3C(O)CH3
  472047.7360  0.0033 -4.7772 3  375.5740744 -59516140446 343 1    45 442 1      C-13-H3C(O)CH3
  472047.7360  0.0033 -3.8432 3  375.5736744 -59516140446 343 2    45 442 2      C-13-H3C(O)CH3
  472047.7360  0.0033 -4.7772 3  375.5740744 -59516140446 443 1    45 342 1      C-13-H3C(O)CH3
  472047.7360  0.0033 -3.8432 3  375.5736744 -59516140446 443 2    45 342 2      C-13-H3C(O)CH3
  472047.8007  0.0033 -3.4701 3  375.5736744  59516140446 343 2    45 342 2      C-13-H3C(O)CH3
  472047.8007  0.0033 -3.4701 3  375.5736744  59516140446 443 2    45 442 2      C-13-H3C(O)CH3
  472068.0778  0.0236 -6.4295 3  365.3913568  5951614043529 6 0    3526 9 0      C-13-H3C(O)CH3
  472073.9651  0.0236 -6.4295 3  365.3911568  5951614043529 7 0    352610 0      C-13-H3C(O)CH3
  472081.1046  0.0026 -3.4649 3  375.5622744 -59516140446 343 0    45 442 0      C-13-H3C(O)CH3
  472081.1046  0.0026 -3.8555 3  375.5622744 -59516140446 343 0    45 342 0      C-13-H3C(O)CH3
  472081.1046  0.0026 -3.8555 3  375.5622744 -59516140446 443 0    45 442 0      C-13-H3C(O)CH3
  472081.1046  0.0026 -3.4649 3  375.5622744 -59516140446 443 0    45 342 0      C-13-H3C(O)CH3
  472082.8135  0.0414 -6.2649 3  784.8814412  5951614045142 9 3    5043 7 3      C-13-H3C(O)CH3
  472097.0704  0.0451 -6.2656 3  784.8644412  595161404514210 3    5043 8 3      C-13-H3C(O)CH3
  472122.6242  0.0031 -3.7933 3  335.9185308 -595161404381226 4    371325 4      C-13-H3C(O)CH3
  472122.6242  0.0031 -3.7933 3  335.9185308 -595161404381226 3    371325 3      C-13-H3C(O)CH3
  472122.6242  0.0031 -3.7933 3  335.9185308 -595161404381326 3    371225 3      C-13-H3C(O)CH3
  472122.6242  0.0031 -3.7933 3  335.9185308 -595161404381326 4    371225 4      C-13-H3C(O)CH3
  472148.0173  0.0034 -3.4923 3  335.9445616 -595161404381226 1    371325 1      C-13-H3C(O)CH3
  472148.0173  0.0034 -3.4923 3  335.9445616 -595161404381326 1    371225 1      C-13-H3C(O)CH3
  472150.9951  0.0034 -3.4924 3  335.9431616 -595161404381326 2    371225 2      C-13-H3C(O)CH3
  472150.9951  0.0034 -3.4924 3  335.9431616 -595161404381226 2    371325 2      C-13-H3C(O)CH3
  472152.7397  0.0563 -5.3815 3  554.4280920  59516140457 255 2    57 156 2      C-13-H3C(O)CH3
  472152.7397  0.0563 -5.3815 3  554.4280920  59516140457 355 2    57 256 2      C-13-H3C(O)CH3
  472152.7397  0.0563 -5.1072 3  554.4280920  59516140457 355 2    57 156 2      C-13-H3C(O)CH3
  472152.7397  0.0563 -5.1072 3  554.4280920  59516140457 255 2    57 256 2      C-13-H3C(O)CH3
  472153.2835  0.0605 -5.0143 3  554.4284920  59516140457 355 1    57 156 1      C-13-H3C(O)CH3
  472153.2835  0.0605 -5.6408 3  554.4284920  59516140457 355 1    57 256 1      C-13-H3C(O)CH3
  472153.2835  0.0605 -5.0143 3  554.4284920  59516140457 255 1    57 256 1      C-13-H3C(O)CH3
  472153.2835  0.0605 -5.6408 3  554.4284920  59516140457 255 1    57 156 1      C-13-H3C(O)CH3
  472156.6026  0.0059 -6.2087 3   60.9046264  5951614041611 6 1    15 6 9 1      C-13-H3C(O)CH3
  472160.2090  0.0725 -5.8843 3  620.6375388  595161404482722 4    472819 4      C-13-H3C(O)CH3
  472176.2050  0.0029 -3.4924 3  335.9691616 -595161404381226 0    371325 0      C-13-H3C(O)CH3
  472176.2050  0.0029 -3.4924 3  335.9691616 -595161404381326 0    371225 0      C-13-H3C(O)CH3
  472176.5305  0.0736 -5.8841 3  620.6370388  595161404482722 3    472819 3      C-13-H3C(O)CH3
  472177.1917  0.0184 -4.9416 3  517.2046696  595161404432914 2    423012 2      C-13-H3C(O)CH3
  472206.7900  0.0346 -5.9632 3  784.8492824  595161404514210 2    5043 8 2      C-13-H3C(O)CH3
  472245.3086  0.0305 -5.8452 3  589.4645936  59516140458 355 0    58 256 0      C-13-H3C(O)CH3
  472245.3086  0.0305 -4.8647 3  589.4645936  59516140458 455 0    58 256 0      C-13-H3C(O)CH3
  472245.3086  0.0305 -4.8647 3  589.4645936  59516140458 355 0    58 356 0      C-13-H3C(O)CH3
  472245.3086  0.0305 -5.8452 3  589.4645936  59516140458 455 0    58 356 0      C-13-H3C(O)CH3
  472246.9779  0.0095 -6.3568 3  296.5000276  595161404341618 4    341321 4      C-13-H3C(O)CH3
  472247.0420  0.0091 -6.3568 3  296.5000276  595161404341618 3    341321 3      C-13-H3C(O)CH3
  472262.0070  0.0177 -5.2294 3  517.2078348  595161404432914 4    423012 4      C-13-H3C(O)CH3
  472263.6434  0.0062 -6.2062 3   60.9030264  5951614041611 6 2    15 6 9 2      C-13-H3C(O)CH3
  472264.2690  0.0095 -6.3568 3  296.5000276  595161404341718 4    341421 4      C-13-H3C(O)CH3
  472264.3848  0.0091 -6.3568 3  296.5000276  595161404341718 3    341421 3      C-13-H3C(O)CH3
  472265.8242  0.0199 -4.9661 3  517.1859696  595161404432914 1    423012 1      C-13-H3C(O)CH3
  472268.7465  0.0183 -4.1644 3  183.2323212  5951614042618 8 4    2517 9 4      C-13-H3C(O)CH3
  472269.2910  0.0088 -6.0560 3  296.5221552  595161404341618 2    341321 2      C-13-H3C(O)CH3
  472277.0239  0.0222 -5.3294 3  517.1822348  595161404432914 3    423012 3      C-13-H3C(O)CH3
  472286.6741  0.0088 -6.0559 3  296.5221552  595161404341718 2    341421 2      C-13-H3C(O)CH3
  472318.1688  0.0088 -6.0550 3  296.5243552  595161404341618 1    341321 1      C-13-H3C(O)CH3
  472324.6839  0.0455 -6.2647 3  784.8567412  595161404514210 4    5043 8 4      C-13-H3C(O)CH3
  472334.8958  0.0088 -6.0550 3  296.5243552  595161404341718 1    341421 1      C-13-H3C(O)CH3
  472340.4704  0.0079 -6.0548 3  296.5463552  595161404341618 0    341321 0      C-13-H3C(O)CH3
  472345.6010  0.0878 -5.7065 3 1258.9950C08  595161404751956 0    751957 0      C-13-H3C(O)CH3
  472345.6010  0.0878 -5.9960 3 1258.9950C08  595161404751956 0    751857 0      C-13-H3C(O)CH3
  472345.6010  0.0878 -5.7957 3 1258.9950C08  595161404752056 0    751957 0      C-13-H3C(O)CH3
  472345.6010  0.0878 -5.5923 3 1258.9950C08  595161404752056 0    751857 0      C-13-H3C(O)CH3
  472357.2436  0.0079 -6.0548 3  296.5463552  595161404341718 0    341421 0      C-13-H3C(O)CH3
  472366.8829  0.0237 -5.3553 3  639.2230760  595161404473513 0    463610 0      C-13-H3C(O)CH3
  472367.0554  0.0237 -5.3553 3  639.2230760  595161404473512 0    463611 0      C-13-H3C(O)CH3
  472373.7591  0.0197 -4.9195 3  517.1822696  595161404432914 0    423013 0      C-13-H3C(O)CH3
  472408.8246  0.1035 -5.4508 3 1259.0081C08  595161404752056 1    751957 1      C-13-H3C(O)CH3
  472408.8246  0.1035 -5.4508 3 1259.0081C08  595161404751956 1    751857 1      C-13-H3C(O)CH3
  472414.2510  0.1043 -5.4911 3 1259.0085C08  595161404752056 2    751957 2      C-13-H3C(O)CH3
  472414.2510  0.1043 -6.4689 3 1259.0085C08  595161404751956 2    751957 2      C-13-H3C(O)CH3
  472414.2510  0.1043 -5.4911 3 1259.0085C08  595161404751956 2    751857 2      C-13-H3C(O)CH3
  472414.2510  0.1043 -6.4689 3 1259.0085C08  595161404752056 2    751857 2      C-13-H3C(O)CH3
  472477.1404  0.0243 -5.3548 3  639.2315760  595161404473513 2    463611 2      C-13-H3C(O)CH3
  472477.5828  0.0700 -5.8604 3 1259.0215604  595161404751956 3    751957 3      C-13-H3C(O)CH3
  472477.5828  0.0700 -6.3927 3 1259.0215604  595161404751956 3    751857 3      C-13-H3C(O)CH3
  472477.5828  0.0700 -5.8604 3 1259.0215604  595161404752056 3    751857 3      C-13-H3C(O)CH3
  472477.5828  0.0700 -6.3927 3 1259.0215604  595161404752056 3    751957 3      C-13-H3C(O)CH3
  472477.7398  0.0701 -5.8884 3 1259.0215604  595161404751956 4    751957 4      C-13-H3C(O)CH3
  472477.7398  0.0701 -6.3089 3 1259.0215604  595161404752056 4    751957 4      C-13-H3C(O)CH3
  472477.7398  0.0701 -5.8884 3 1259.0215604  595161404752056 4    751857 4      C-13-H3C(O)CH3
  472477.7398  0.0701 -6.3089 3 1259.0215604  595161404751956 4    751857 4      C-13-H3C(O)CH3
  472488.1194  0.0261 -5.3555 3  639.2421760  595161404473512 1    463610 1      C-13-H3C(O)CH3
  472521.3882  0.0029 -4.0127 3  285.0259268  595161404331816 4    321715 4      C-13-H3C(O)CH3
  472524.4207  0.0034 -4.0128 3  285.0258268  595161404331816 3    321715 3      C-13-H3C(O)CH3
  472533.5646  0.0240 -5.3552 3  639.2140760  595161404473513 1    463611 1      C-13-H3C(O)CH3
  472536.5977  0.0501 -5.8736 3  517.1735348  595161404432914 3    423013 3      C-13-H3C(O)CH3
  472538.9699  0.0914 -5.2357 3  519.9657904  59516140456 155 2    56 156 2      C-13-H3C(O)CH3
  472538.9699  0.0914 -5.2357 3  519.9657904  59516140456 255 2    56 056 2      C-13-H3C(O)CH3
  472538.9699  0.0914 -5.8831 3  519.9657904  59516140456 155 2    56 056 2      C-13-H3C(O)CH3
  472538.9699  0.0914 -5.8831 3  519.9657904  59516140456 255 2    56 156 2      C-13-H3C(O)CH3
  472541.2165  0.0032 -3.7117 3  285.0510536 -595161404331816 1    321715 1      C-13-H3C(O)CH3
  472541.4727  0.0953 -5.2018 3  519.9660904  59516140456 255 1    56 156 1      C-13-H3C(O)CH3
  472541.4727  0.0953 -6.0788 3  519.9660904  59516140456 255 1    56 056 1      C-13-H3C(O)CH3
  472541.4727  0.0953 -5.2018 3  519.9660904  59516140456 155 1    56 056 1      C-13-H3C(O)CH3
  472541.4727  0.0953 -6.0788 3  519.9660904  59516140456 155 1    56 156 1      C-13-H3C(O)CH3
  472564.1787  0.1779 -6.4481 3 1827.5579E00  595161404873057 2    872958 2      C-13-H3C(O)CH3
  472564.1787  0.1779 -6.4481 3 1827.5579E00  595161404873157 2    873058 2      C-13-H3C(O)CH3
  472565.1298  0.1893 -6.4748 3 1827.5539E00  595161404873157 1    872958 1      C-13-H3C(O)CH3
  472565.1298  0.1893 -6.4748 3 1827.5539E00  595161404873057 1    873058 1      C-13-H3C(O)CH3
  472596.8773  0.0287 -5.6561 3  639.2507380  595161404473512 3    463610 3      C-13-H3C(O)CH3
  472604.2691  0.0031 -3.7120 3  285.0437536 -595161404331816 2    321715 2      C-13-H3C(O)CH3
  472617.1280  0.1987 -6.5397 3 1827.5447E00  595161404873157 0    873058 0      C-13-H3C(O)CH3
  472617.1280  0.1987 -6.5397 3 1827.5447E00  595161404873057 0    872958 0      C-13-H3C(O)CH3
  472621.3134  0.0028 -3.7120 3  285.0690536 -595161404331816 0    321715 0      C-13-H3C(O)CH3
  472642.9260  0.0261 -5.6558 3  639.2224380  595161404473513 4    463611 4      C-13-H3C(O)CH3
  472667.0318  0.0260 -5.3552 3  639.2499760  595161404473512 2    463610 2      C-13-H3C(O)CH3
  472741.1999  0.0393 -6.5760 3  554.5037712  595161404443213 1    442915 1      C-13-H3C(O)CH3
  472788.4332  0.0331 -5.6565 3  639.2690380  595161404473512 4    463610 4      C-13-H3C(O)CH3
  472797.7875  0.0490 -6.4584 3  554.3915920  59516140457 255 0    57 156 0      C-13-H3C(O)CH3
  472797.7875  0.0490 -6.4584 3  554.3915920  59516140457 355 0    57 256 0      C-13-H3C(O)CH3
  472797.7875  0.0490 -4.9333 3  554.3915920  59516140457 355 0    57 156 0      C-13-H3C(O)CH3
  472797.7875  0.0490 -4.9333 3  554.3915920  59516140457 255 0    57 256 0      C-13-H3C(O)CH3
  472809.8252  0.1251 -6.0759 3  872.4086904  595161404563621 0    563324 0      C-13-H3C(O)CH3
  472813.6478  0.0055 -6.1962 3   60.8636264  5951614041611 6 0    15 6 9 0      C-13-H3C(O)CH3
  472832.4153  0.0279 -5.6562 3  639.2409380  595161404473513 3    463611 3      C-13-H3C(O)CH3
  472938.0421  0.0825 -5.8129 3 1214.0248B92  595161404741856 0    741857 0      C-13-H3C(O)CH3
  472938.0421  0.0825 -5.5721 3 1214.0248B92  595161404741856 0    741757 0      C-13-H3C(O)CH3
  472938.0421  0.0825 -5.4380 3 1214.0248B92  595161404741956 0    741857 0      C-13-H3C(O)CH3
  472938.0421  0.0825 -6.2445 3 1214.0248B92  595161404741956 0    741757 0      C-13-H3C(O)CH3
  473017.3061  0.0985 -6.4757 3 1214.0342B92  595161404741956 1    741757 1      C-13-H3C(O)CH3
  473017.3061  0.0985 -5.4107 3 1214.0342B92  595161404741956 1    741857 1      C-13-H3C(O)CH3
  473017.3061  0.0985 -5.4107 3 1214.0342B92  595161404741856 1    741757 1      C-13-H3C(O)CH3
  473017.3061  0.0985 -6.4757 3 1214.0342B92  595161404741856 1    741857 1      C-13-H3C(O)CH3
  473021.8771  0.0991 -5.8693 3 1214.0344B92  595161404741956 2    741757 2      C-13-H3C(O)CH3
  473021.8771  0.0991 -5.8693 3 1214.0344B92  595161404741856 2    741857 2      C-13-H3C(O)CH3
  473021.8771  0.0991 -5.5425 3 1214.0344B92  595161404741956 2    741857 2      C-13-H3C(O)CH3
  473021.8771  0.0991 -5.5425 3 1214.0344B92  595161404741856 2    741757 2      C-13-H3C(O)CH3
  473033.3224  0.0330 -5.9146 3  517.1603696  595161404432914 1    423013 1      C-13-H3C(O)CH3
  473064.5697  0.0031 -5.3434 3  344.2789316 -595161404391228 3    381127 3      C-13-H3C(O)CH3
  473064.5697  0.0031 -5.3434 3  344.2789316 -595161404391128 3    381227 3      C-13-H3C(O)CH3
  473064.5697  0.0032 -4.1793 3  344.2789316 -595161404391228 4    381127 4      C-13-H3C(O)CH3
  473064.5697  0.0032 -6.1928 3  344.2789316 -595161404391128 4    381227 4      C-13-H3C(O)CH3
  473064.5840  0.0032 -3.7711 3  344.2789316  595161404391128 4    381127 4      C-13-H3C(O)CH3
  473064.5840  0.0032 -3.9835 3  344.2789316  595161404391228 4    381227 4      C-13-H3C(O)CH3
  473064.6715  0.0031 -3.7812 3  344.2789316  595161404391128 3    381127 3      C-13-H3C(O)CH3
  473064.6715  0.0031 -3.7812 3  344.2789316  595161404391228 3    381227 3      C-13-H3C(O)CH3
  473070.4024  0.0050 -4.4687 3  121.9177180  595161404221310 4    211011 4      C-13-H3C(O)CH3
  473084.1718  0.0040 -4.4687 3  121.9176180  595161404221310 3    211011 3      C-13-H3C(O)CH3
  473090.8357  0.0035 -3.9322 3  344.3043632 -595161404391128 1    381227 1      C-13-H3C(O)CH3
  473090.8357  0.0035 -3.9322 3  344.3043632 -595161404391228 1    381127 1      C-13-H3C(O)CH3
  473090.9172  0.0035 -3.6514 3  344.3043632  595161404391228 1    381227 1      C-13-H3C(O)CH3
  473090.9172  0.0035 -3.6514 3  344.3043632  595161404391128 1    381127 1      C-13-H3C(O)CH3
  473093.1240  0.0035 -3.4749 3  344.3031632 -595161404391128 2    381227 2      C-13-H3C(O)CH3
  473093.1308  0.0035 -3.4685 3  344.3031632  595161404391128 2    381127 2      C-13-H3C(O)CH3
  473093.1308  0.0035 -5.3001 3  344.3031632  595161404391228 2    381227 2      C-13-H3C(O)CH3
  473101.2615  0.0664 -5.7211 3 1214.0437596  595161404741956 3    741757 3      C-13-H3C(O)CH3
  473101.2615  0.0664 -5.6760 3 1214.0437596  595161404741856 3    741857 3      C-13-H3C(O)CH3
  473101.4409  0.0665 -6.4168 3 1214.0437596  595161404741956 4    741757 4      C-13-H3C(O)CH3
  473101.4409  0.0665 -5.7627 3 1214.0437596  595161404741856 4    741757 4      C-13-H3C(O)CH3
  473101.4409  0.0665 -6.4168 3 1214.0437596  595161404741856 4    741857 4      C-13-H3C(O)CH3
  473101.4409  0.0665 -5.7627 3 1214.0437596  595161404741956 4    741857 4      C-13-H3C(O)CH3
  473119.2558  0.0029 -3.9465 3  344.3285632 -595161404391228 0    381127 0      C-13-H3C(O)CH3
  473119.2558  0.0029 -3.9465 3  344.3285632 -595161404391128 0    381227 0      C-13-H3C(O)CH3
  473119.3359  0.0029 -3.6441 3  344.3285632  595161404391128 0    381127 0      C-13-H3C(O)CH3
  473119.3359  0.0029 -3.6441 3  344.3285632  595161404391228 0    381227 0      C-13-H3C(O)CH3
  473133.9427  0.0027 -3.6686 3  378.9941380  59516140447 245 3    46 244 3      C-13-H3C(O)CH3
  473133.9427  0.0027 -3.6686 3  378.9941380  59516140447 345 3    46 344 3      C-13-H3C(O)CH3
  473133.9539  0.0027 -3.6743 3  378.9941380  59516140447 345 4    46 244 4      C-13-H3C(O)CH3
  473133.9539  0.0027 -3.6743 3  378.9941380  59516140447 245 4    46 344 4      C-13-H3C(O)CH3
  473133.9839  0.0027 -4.4387 3  378.9941380 -59516140447 345 3    46 244 3      C-13-H3C(O)CH3
  473133.9839  0.0027 -4.4063 3  378.9941380 -59516140447 245 4    46 244 4      C-13-H3C(O)CH3
  473133.9839  0.0027 -4.4063 3  378.9941380 -59516140447 345 4    46 344 4      C-13-H3C(O)CH3
  473133.9839  0.0027 -4.4387 3  378.9941380 -59516140447 245 3    46 344 3      C-13-H3C(O)CH3
  473135.8179  0.0353 -6.0384 3  554.5065712  595161404443212 0    442915 0      C-13-H3C(O)CH3
  473162.0803  0.0034 -4.3385 3  378.9691760  59516140447 345 1    46 244 1      C-13-H3C(O)CH3
  473162.0803  0.0034 -3.3410 3  378.9691760  59516140447 245 1    46 244 1      C-13-H3C(O)CH3
  473162.1158  0.0034 -4.3385 3  378.9691760 -59516140447 245 1    46 344 1      C-13-H3C(O)CH3
  473162.1158  0.0034 -3.3410 3  378.9691760 -59516140447 345 1    46 344 1      C-13-H3C(O)CH3
  473162.1302  0.0033 -3.2996 3  378.9686760  59516140447 345 2    46 344 2      C-13-H3C(O)CH3
  473162.1302  0.0033 -3.2996 3  378.9686760  59516140447 245 2    46 244 2      C-13-H3C(O)CH3
  473190.2029  0.0026 -3.3321 3  378.9437760 -59516140447 345 0    46 244 0      C-13-H3C(O)CH3
  473190.2029  0.0026 -4.4367 3  378.9437760 -59516140447 345 0    46 344 0      C-13-H3C(O)CH3
  473190.2029  0.0026 -3.3321 3  378.9437760 -59516140447 245 0    46 344 0      C-13-H3C(O)CH3
  473190.2029  0.0026 -4.4367 3  378.9437760 -59516140447 245 0    46 244 0      C-13-H3C(O)CH3
  473198.8967  0.0695 -6.0262 3  759.9119840  595161404523518 0    523221 0      C-13-H3C(O)CH3
  473204.6170  0.0475 -6.2242 3  517.1703696  595161404432914 2    423013 2      C-13-H3C(O)CH3
  473265.4982  0.0039 -4.1676 3  121.9031360  595161404221310 2    211011 2      C-13-H3C(O)CH3
  473273.9410  0.0039 -4.1674 3  121.9067360  595161404221310 1    211011 1      C-13-H3C(O)CH3
  473365.6406  0.0395 -5.2225 3  462.0659332  595161404412616 4    402713 4      C-13-H3C(O)CH3
  473368.8989  0.1057 -6.0850 3  872.4118904  595161404563621 1    563324 1      C-13-H3C(O)CH3
  473371.7992  0.0786 -5.2133 3  519.9008904  59516140456 255 0    56 056 0      C-13-H3C(O)CH3
  473371.7992  0.0786 -5.2133 3  519.9008904  59516140456 155 0    56 156 0      C-13-H3C(O)CH3
  473371.7992  0.0786 -5.9859 3  519.9008904  59516140456 255 0    56 156 0      C-13-H3C(O)CH3
  473371.7992  0.0786 -5.9859 3  519.9008904  59516140456 155 0    56 056 0      C-13-H3C(O)CH3
  473399.1552  0.0044 -3.6837 3  180.4577424 -5951614042617 9 2    251610 2      C-13-H3C(O)CH3
  473399.6185  0.0056 -3.9865 3  180.4520212  5951614042617 9 3    251610 3      C-13-H3C(O)CH3
  473423.0049  0.1279 -6.0881 3  872.4114904  595161404563621 2    563324 2      C-13-H3C(O)CH3
  473433.9515  0.0691 -6.2214 3  759.9146840  595161404523518 1    523221 1      C-13-H3C(O)CH3
  473449.6898  0.1617 -6.3892 3 1775.7092D84  595161404863057 1    862958 1      C-13-H3C(O)CH3
  473449.6898  0.1617 -6.3892 3 1775.7092D84  595161404862957 1    862858 1      C-13-H3C(O)CH3
  473450.8024  0.1545 -6.3522 3 1775.7131D84  595161404863057 2    862958 2      C-13-H3C(O)CH3
  473450.8024  0.1545 -6.3522 3 1775.7131D84  595161404862957 2    862858 2      C-13-H3C(O)CH3
  473451.3708  0.0038 -3.6816 3  180.4660424 -5951614042617 9 0    251610 0      C-13-H3C(O)CH3
  473453.5505  0.0047 -4.8181 3   87.0864164  59516140420 713 3    19 614 3      C-13-H3C(O)CH3
  473453.7151  0.0063 -4.8181 3   87.0865164  59516140420 713 4    19 614 4      C-13-H3C(O)CH3
  473454.1028  0.0047 -4.8181 3   87.0864164  59516140420 813 3    19 514 3      C-13-H3C(O)CH3
  473454.2619  0.0063 -4.8181 3   87.0865164  59516140420 813 4    19 514 4      C-13-H3C(O)CH3
  473461.2962  0.0041 -4.1673 3  121.8921360  595161404221310 0    211011 0      C-13-H3C(O)CH3
  473510.6046  0.0045 -3.6883 3  180.4594424 -5951614042617 9 1    251610 1      C-13-H3C(O)CH3
  473510.7287  0.0759 -5.3108 3 1169.6320B76  595161404731856 0    731657 0      C-13-H3C(O)CH3
  473510.7287  0.0759 -5.3108 3 1169.6320B76  595161404731756 0    731757 0      C-13-H3C(O)CH3
  473519.9650  0.0067 -3.9962 3  180.4502212  5951614042617 9 4    251610 4      C-13-H3C(O)CH3
  473567.0600  0.0884 -6.2374 3  759.9140840  595161404523518 2    523221 2      C-13-H3C(O)CH3
  473580.2696  0.0344 -5.8824 3  547.3495728  595161404452520 2    452223 2      C-13-H3C(O)CH3
  473581.1844  0.0359 -6.1827 3  547.3308364  595161404452520 3    452223 3      C-13-H3C(O)CH3
  473584.6121  0.0363 -6.1827 3  547.3308364  595161404452520 4    452223 4      C-13-H3C(O)CH3
  473585.1690  0.0371 -6.1858 3  554.5037712  595161404443212 1    442915 1      C-13-H3C(O)CH3
  473605.0222  0.0913 -5.4455 3 1169.6370B76  595161404731856 1    731757 1      C-13-H3C(O)CH3
  473605.0222  0.0913 -5.8619 3 1169.6370B76  595161404731756 1    731757 1      C-13-H3C(O)CH3
  473605.0222  0.0913 -5.4455 3 1169.6370B76  595161404731756 1    731657 1      C-13-H3C(O)CH3
  473605.0222  0.0913 -5.8619 3 1169.6370B76  595161404731856 1    731657 1      C-13-H3C(O)CH3
  473608.6775  0.0918 -5.3078 3 1169.6371B76  595161404731856 2    731657 2      C-13-H3C(O)CH3
  473608.6775  0.0918 -5.3078 3 1169.6371B76  595161404731756 2    731757 2      C-13-H3C(O)CH3
  473647.7123  0.0327 -5.7700 3  744.7670808  595161404504010 1    4941 8 1      C-13-H3C(O)CH3
  473662.6645  0.0309 -4.8554 3  462.0732664  595161404412616 2    402713 2      C-13-H3C(O)CH3
  473679.9860  0.0301 -5.7694 3  744.7387808  595161404504011 0    4941 8 0      C-13-H3C(O)CH3
  473679.9860  0.0301 -5.7694 3  744.7387808  595161404504010 0    4941 9 0      C-13-H3C(O)CH3
  473698.8366  0.0197 -5.8827 3  547.3707728  595161404452520 0    452223 0      C-13-H3C(O)CH3
  473701.4997  0.0197 -5.8820 3  547.3521728  595161404452520 1    452223 1      C-13-H3C(O)CH3
  473703.1017  0.0625 -5.6091 3 1169.6422588  595161404731756 3    731757 3      C-13-H3C(O)CH3
  473703.1017  0.0625 -5.6091 3 1169.6422588  595161404731856 3    731657 3      C-13-H3C(O)CH3
  473703.2994  0.0626 -5.6221 3 1169.6422588  595161404731856 4    731757 4      C-13-H3C(O)CH3
  473703.2994  0.0626 -5.6221 3 1169.6422588  595161404731756 4    731657 4      C-13-H3C(O)CH3
  473717.7523  0.0927 -6.5594 3  759.9159420  595161404523518 4    523221 4      C-13-H3C(O)CH3
  473721.9273  0.0459 -6.5378 3  554.5004356  595161404443212 3    442915 3      C-13-H3C(O)CH3
  473764.3437  0.1067 -6.0676 3  844.8725888  595161404553620 0    553323 0      C-13-H3C(O)CH3
  473768.6427  0.0104 -4.0867 3  224.2072236  595161404291812 4    281711 4      C-13-H3C(O)CH3
  473768.8171  0.0094 -4.0866 3  224.2075236  595161404291812 3    281711 3      C-13-H3C(O)CH3
  473775.6994  0.0050 -4.5161 3   87.0518328  59516140420 713 2    19 614 2      C-13-H3C(O)CH3
  473776.2750  0.0050 -4.5161 3   87.0518328  59516140420 813 2    19 514 2      C-13-H3C(O)CH3
  473792.6959  0.0049 -4.5163 3   87.0528328  59516140420 713 1    19 614 1      C-13-H3C(O)CH3
  473793.2476  0.0049 -4.5163 3   87.0528328  59516140420 813 1    19 514 1      C-13-H3C(O)CH3
  473809.2729  0.0370 -6.1392 3  554.5136712  595161404443212 2    442915 2      C-13-H3C(O)CH3
  473813.3532  0.0809 -6.4125 3  872.4146452  595161404563621 4    563324 4      C-13-H3C(O)CH3
  473846.0628  0.0082 -3.7857 3  224.2228472 -595161404291812 1    281711 1      C-13-H3C(O)CH3
  473851.0374  0.0340 -5.7697 3  744.7415808  595161404504011 1    4941 9 1      C-13-H3C(O)CH3
  473871.4956  0.0050 -3.4938 3  178.6123196 -5951614042423 1 4    2322 1 4      C-13-H3C(O)CH3
  473872.1402  0.0398 -6.0716 3  744.7870404  595161404504010 4    4941 8 4      C-13-H3C(O)CH3
  473895.7275  0.0259 -5.0752 3  462.0503332  595161404412616 3    402713 3      C-13-H3C(O)CH3
  473902.6285  0.0318 -5.7700 3  744.7589808  595161404504010 2    4941 8 2      C-13-H3C(O)CH3
  473968.3286  0.0386 -6.0708 3  744.7793404  595161404504010 3    4941 8 3      C-13-H3C(O)CH3
  473999.9535  0.0319 -5.7692 3  744.7510808  595161404504011 2    4941 9 2      C-13-H3C(O)CH3
  474040.4290  0.0356 -6.3918 3  554.5180356  595161404443212 4    442915 4      C-13-H3C(O)CH3
  474058.2971  0.0031 -3.7662 3  352.0779324 -595161404401030 3    391129 3      C-13-H3C(O)CH3
  474058.2971  0.0031 -5.2807 3  352.0779324 -595161404401130 4    391029 4      C-13-H3C(O)CH3
  474058.2971  0.0031 -5.1300 3  352.0779324 -595161404401130 3    391129 3      C-13-H3C(O)CH3
  474058.2971  0.0031 -4.9653 3  352.0779324 -595161404401030 4    391129 4      C-13-H3C(O)CH3
  474058.3705  0.0031 -3.7749 3  352.0779324  595161404401130 4    391129 4      C-13-H3C(O)CH3
  474058.3705  0.0031 -3.7607 3  352.0779324  595161404401030 4    391029 4      C-13-H3C(O)CH3
  474058.4533  0.0031 -5.1300 3  352.0779324  595161404401030 3    391029 3      C-13-H3C(O)CH3
  474058.4533  0.0031 -3.7662 3  352.0779324  595161404401130 3    391029 3      C-13-H3C(O)CH3
  474065.3556  0.0683 -6.2883 3 1125.8173B60  595161404721756 0    721657 0      C-13-H3C(O)CH3
  474065.3556  0.0683 -5.2385 3 1125.8173B60  595161404721656 0    721557 0      C-13-H3C(O)CH3
  474065.3556  0.0683 -5.2776 3 1125.8173B60  595161404721656 0    721657 0      C-13-H3C(O)CH3
  474065.6195  0.0273 -5.7315 3  186.3578212  5951614042619 8 4    2518 7 4      C-13-H3C(O)CH3
  474074.5858  0.0402 -6.0713 3  744.7616404  595161404504011 3    4941 9 3      C-13-H3C(O)CH3
  474075.9874  0.0046 -3.4933 3  178.5616196 -5951614042423 2 3    2322 2 3      C-13-H3C(O)CH3
  474086.0885  0.0035 -6.2572 3  352.1023648 -595161404401130 1    391129 1      C-13-H3C(O)CH3
  474086.0885  0.0035 -3.4475 3  352.1023648 -595161404401030 1    391129 1      C-13-H3C(O)CH3
  474086.1755  0.0035 -3.4475 3  352.1023648  595161404401130 1    391029 1      C-13-H3C(O)CH3
  474086.1755  0.0035 -6.2572 3  352.1023648  595161404401030 1    391029 1      C-13-H3C(O)CH3
  474087.8399  0.0035 -3.5516 3  352.1013648  595161404401030 2    391029 2      C-13-H3C(O)CH3
  474087.8399  0.0035 -3.5516 3  352.1013648  595161404401130 2    391129 2      C-13-H3C(O)CH3
  474087.8624  0.0035 -4.1158 3  352.1013648 -595161404401030 2    391129 2      C-13-H3C(O)CH3
  474087.8624  0.0035 -4.1158 3  352.1013648 -595161404401130 2    391029 2      C-13-H3C(O)CH3
  474097.1150  0.0043 -3.1923 3  178.6353392 -5951614042423 1 1    2322 1 1      C-13-H3C(O)CH3
  474101.7507  0.0178 -4.7853 3  462.0591664  595161404412616 1    402713 1      C-13-H3C(O)CH3
  474103.8040  0.0043 -3.1924 3  178.6539392 -5951614042423 1 2    2322 1 2      C-13-H3C(O)CH3
  474114.1147  0.0049 -4.5152 3   87.0183328  59516140420 713 0    19 614 0      C-13-H3C(O)CH3
  474114.6918  0.0049 -4.5152 3   87.0183328  59516140420 813 0    19 514 0      C-13-H3C(O)CH3
  474115.4998  0.0029 -3.6895 3  352.1258648 -595161404401030 0    391129 0      C-13-H3C(O)CH3
  474115.4998  0.0029 -3.8153 3  352.1258648 -595161404401130 0    391129 0      C-13-H3C(O)CH3
  474115.5205  0.0029 -3.8153 3  352.1258648  595161404401030 0    391029 0      C-13-H3C(O)CH3
  474115.5205  0.0029 -3.6895 3  352.1258648  595161404401130 0    391029 0      C-13-H3C(O)CH3
  474139.7420  0.0047 -3.4932 3  178.5736196 -5951614042423 1 3    2322 1 3      C-13-H3C(O)CH3
  474170.5748  0.0401 -6.0705 3  744.7537404  595161404504011 4    4941 9 4      C-13-H3C(O)CH3
  474170.9393  0.1389 -6.3795 3  872.4148452  595161404563621 3    563324 3      C-13-H3C(O)CH3
  474172.8476  0.0823 -5.5888 3 1125.8176B60  595161404721656 1    721657 1      C-13-H3C(O)CH3
  474172.8476  0.0823 -5.4924 3 1125.8176B60  595161404721656 1    721557 1      C-13-H3C(O)CH3
  474172.8476  0.0823 -6.0142 3 1125.8176B60  595161404721756 1    721557 1      C-13-H3C(O)CH3
  474172.8476  0.0823 -5.3163 3 1125.8176B60  595161404721756 1    721657 1      C-13-H3C(O)CH3
  474175.5835  0.0826 -5.3395 3 1125.8175B60  595161404721756 2    721657 2      C-13-H3C(O)CH3
  474175.5835  0.0826 -5.3395 3 1125.8175B60  595161404721656 2    721557 2      C-13-H3C(O)CH3
  474175.5835  0.0826 -5.9140 3 1125.8175B60  595161404721756 2    721557 2      C-13-H3C(O)CH3
  474175.5835  0.0826 -5.9140 3 1125.8175B60  595161404721656 2    721657 2      C-13-H3C(O)CH3
  474181.7041  0.0079 -3.7843 3  224.2078472 -595161404291812 2    281711 2      C-13-H3C(O)CH3
  474211.6690  0.0121 -4.7337 3  462.0714664  595161404412616 0    402713 0      C-13-H3C(O)CH3
  474252.7316  0.0078 -3.7844 3  224.2234472 -595161404291812 0    281711 0      C-13-H3C(O)CH3
  474260.1366  0.1155 -6.5610 3 1724.4477684  595161404852857 3    852858 3      C-13-H3C(O)CH3
  474260.1366  0.1155 -6.5610 3 1724.4477684  595161404852957 3    852758 3      C-13-H3C(O)CH3
  474262.3498  0.0033 -5.1123 3  381.8672388  59516140448 247 4    47 246 4      C-13-H3C(O)CH3
  474262.3498  0.0033 -3.5960 3  381.8672388  59516140448 147 4    47 246 4      C-13-H3C(O)CH3
  474262.4319  0.0033 -3.5960 3  381.8672388 -59516140448 247 4    47 146 4      C-13-H3C(O)CH3
  474262.4319  0.0033 -3.5830 3  381.8671388 -59516140448 247 3    47 146 3      C-13-H3C(O)CH3
  474262.4319  0.0033 -5.1123 3  381.8672388 -59516140448 147 4    47 146 4      C-13-H3C(O)CH3
  474262.4319  0.0033 -3.5830 3  381.8671388 -59516140448 147 3    47 246 3      C-13-H3C(O)CH3
  474278.7420  0.0917 -6.1166 3  844.8761888  595161404553620 1    553323 1      C-13-H3C(O)CH3
  474281.2741  0.0041 -4.2116 3  381.8243776  59516140448 247 1    47 246 1      C-13-H3C(O)CH3
  474281.2741  0.0041 -4.2116 3  381.8243776  59516140448 147 1    47 146 1      C-13-H3C(O)CH3
  474281.2805  0.0038 -4.5226 3  381.8240776 -59516140448 247 2    47 246 2      C-13-H3C(O)CH3
  474281.2805  0.0038 -4.5226 3  381.8240776 -59516140448 147 2    47 146 2      C-13-H3C(O)CH3
  474281.2805  0.0041 -3.3362 3  381.8243776 -59516140448 247 1    47 146 1      C-13-H3C(O)CH3
  474281.2805  0.0041 -3.3362 3  381.8243776 -59516140448 147 1    47 246 1      C-13-H3C(O)CH3
  474281.3171  0.0038 -3.3076 3  381.8240776  59516140448 147 2    47 246 2      C-13-H3C(O)CH3
  474281.3171  0.0038 -3.3076 3  381.8240776  59516140448 247 2    47 146 2      C-13-H3C(O)CH3
  474283.2141  0.0585 -5.7962 3 1125.8178580  595161404721656 3    721557 3      C-13-H3C(O)CH3
  474283.2141  0.0585 -5.8859 3 1125.8178580  595161404721656 3    721657 3      C-13-H3C(O)CH3
  474283.2141  0.0585 -5.7962 3 1125.8178580  595161404721756 3    721657 3      C-13-H3C(O)CH3
  474283.2141  0.0585 -5.8859 3 1125.8178580  595161404721756 3    721557 3      C-13-H3C(O)CH3
  474283.4236  0.0586 -6.0544 3 1125.8178580  595161404721656 4    721557 4      C-13-H3C(O)CH3
  474283.4236  0.0586 -5.6000 3 1125.8178580  595161404721656 4    721657 4      C-13-H3C(O)CH3
  474283.4236  0.0586 -5.5431 3 1125.8178580  595161404721756 4    721557 4      C-13-H3C(O)CH3
  474300.1197  0.0032 -4.5120 3  381.7812776 -59516140448 147 0    47 246 0      C-13-H3C(O)CH3
  474300.1197  0.0032 -4.5120 3  381.7812776 -59516140448 247 0    47 146 0      C-13-H3C(O)CH3
  474300.2023  0.0032 -3.3081 3  381.7812776  59516140448 247 0    47 246 0      C-13-H3C(O)CH3
  474300.2023  0.0032 -3.3081 3  381.7812776  59516140448 147 0    47 146 0      C-13-H3C(O)CH3
  474304.6987  0.1385 -6.2956 3 1724.4296D68  595161404852957 1    852758 1      C-13-H3C(O)CH3
  474304.6987  0.1385 -6.2956 3 1724.4296D68  595161404852857 1    852858 1      C-13-H3C(O)CH3
  474307.6382  0.1349 -6.2599 3 1724.4331D68  595161404852857 2    852858 2      C-13-H3C(O)CH3
  474307.6382  0.1349 -6.2599 3 1724.4331D68  595161404852957 2    852758 2      C-13-H3C(O)CH3
  474307.6736  0.0041 -3.1919 3  178.6031392 -5951614042423 2 2    2322 2 2      C-13-H3C(O)CH3
  474329.5922  0.0040 -3.1919 3  178.6769392 -5951614042423 1 0    2322 2 0      C-13-H3C(O)CH3
  474329.5922  0.0040 -3.1919 3  178.6769392 -5951614042423 2 0    2322 1 0      C-13-H3C(O)CH3
  474343.3673  0.0049 -3.4927 3  178.5230196 -5951614042423 2 4    2322 2 4      C-13-H3C(O)CH3
  474351.9454  0.1164 -6.1325 3  844.8755888  595161404553620 2    553323 2      C-13-H3C(O)CH3
  474352.1838  0.1511 -6.2611 3 1724.4150D68  595161404852957 0    852858 0      C-13-H3C(O)CH3
  474352.1838  0.1511 -6.2611 3 1724.4150D68  595161404852857 0    852758 0      C-13-H3C(O)CH3
  474364.9359  0.0042 -3.1918 3  178.5966392 -5951614042423 2 1    2322 2 1      C-13-H3C(O)CH3
  474461.6476  0.0935 -6.4700 3  759.9146840  595161404523517 1    523221 1      C-13-H3C(O)CH3
  474521.5448  0.0071 -4.1199 3  135.0195376  595161404231310 2    221211 2      C-13-H3C(O)CH3
  474603.7613  0.0600 -5.2621 3 1082.5817B44  595161404711656 0    711457 0      C-13-H3C(O)CH3
  474603.7613  0.0600 -5.9019 3 1082.5817B44  595161404711556 0    711457 0      C-13-H3C(O)CH3
  474603.7613  0.0600 -5.2621 3 1082.5817B44  595161404711556 0    711557 0      C-13-H3C(O)CH3
  474603.7613  0.0600 -5.9019 3 1082.5817B44  595161404711656 0    711557 0      C-13-H3C(O)CH3
  474618.5532  0.1097 -6.4032 3  759.9176420  595161404523518 3    523221 3      C-13-H3C(O)CH3
  474620.1647  0.0082 -4.4215 3  135.0292188  595161404231310 3    221211 3      C-13-H3C(O)CH3
  474628.8515  0.0065 -4.1196 3  135.0136376 -595161404231310 0    221211 0      C-13-H3C(O)CH3
  474629.1666  0.0973 -6.4931 3  844.8789444  595161404553620 4    553323 4      C-13-H3C(O)CH3
  474644.4031  0.0103 -4.4215 3  135.0292188  595161404231310 4    221211 4      C-13-H3C(O)CH3
  474647.1670  0.0126 -5.0688 3  499.6748696  595161404432519 0    422616 0      C-13-H3C(O)CH3
  474662.8692  0.0141 -5.0676 3  499.6560696  595161404432519 1    422616 1      C-13-H3C(O)CH3
  474721.6771  0.0720 -5.1722 3 1082.5767B44  595161404711656 1    711457 1      C-13-H3C(O)CH3
  474721.6771  0.0720 -5.1722 3 1082.5767B44  595161404711556 1    711557 1      C-13-H3C(O)CH3
  474723.5455  0.0721 -5.1759 3 1082.5766B44  595161404711556 2    711457 2      C-13-H3C(O)CH3
  474723.5455  0.0721 -5.1759 3 1082.5766B44  595161404711656 2    711557 2      C-13-H3C(O)CH3
  474736.8870  0.0071 -4.1202 3  135.0232376  595161404231310 1    221211 1      C-13-H3C(O)CH3
  474841.6045  0.0544 -5.8987 3 1082.5717572  595161404711556 3    711457 3      C-13-H3C(O)CH3
  474841.6045  0.0544 -5.6772 3 1082.5717572  595161404711556 3    711557 3      C-13-H3C(O)CH3
  474841.6045  0.0544 -5.8987 3 1082.5717572  595161404711656 3    711557 3      C-13-H3C(O)CH3
  474841.6045  0.0544 -5.6772 3 1082.5717572  595161404711656 3    711457 3      C-13-H3C(O)CH3
  474841.8166  0.0544 -5.4830 3 1082.5716572  595161404711556 4    711457 4      C-13-H3C(O)CH3
  474841.8166  0.0544 -5.4830 3 1082.5716572  595161404711656 4    711557 4      C-13-H3C(O)CH3
  474847.9554  0.0189 -5.0635 3  499.6450696  595161404432519 2    422616 2      C-13-H3C(O)CH3
  474848.6535  0.0195 -5.3637 3  499.6266348  595161404432519 4    422616 4      C-13-H3C(O)CH3
  474856.4215  0.1520 -6.4452 3  759.9140840  595161404523517 2    523221 2      C-13-H3C(O)CH3
  474857.3475  0.0213 -6.0836 3  462.0182332  595161404412616 3    402714 3      C-13-H3C(O)CH3
  474861.0436  0.0095 -3.9473 3  196.2451220  595161404271810 4    2617 9 4      C-13-H3C(O)CH3
  474873.5850  0.0222 -5.3631 3  499.6259348  595161404432519 3    422616 3      C-13-H3C(O)CH3
  475029.4125  0.0355 -6.1850 3  554.4273712  595161404443213 1    442916 1      C-13-H3C(O)CH3
  475045.3192  0.0191 -5.3443 3  462.0271664  595161404412616 2    402714 2      C-13-H3C(O)CH3
  475059.1955  0.0069 -3.9184 3  196.2429220  595161404271810 3    2617 9 3      C-13-H3C(O)CH3
  475086.8102  0.0031 -3.7285 3  359.3219332 -59516140441 932 3    401031 3      C-13-H3C(O)CH3
  475086.8102  0.0031 -3.7285 3  359.3219332 -595161404411032 3    40 931 3      C-13-H3C(O)CH3
  475086.8102  0.0031 -3.7352 3  359.3219332 -59516140441 932 4    401031 4      C-13-H3C(O)CH3
  475086.8102  0.0031 -5.5025 3  359.3219332 -595161404411032 4    401031 4      C-13-H3C(O)CH3
  475086.8360  0.0031 -5.5025 3  359.3219332  59516140441 932 4    40 931 4      C-13-H3C(O)CH3
  475086.8360  0.0031 -3.7352 3  359.3219332  595161404411032 4    40 931 4      C-13-H3C(O)CH3
  475086.9139  0.0031 -6.4955 3  359.3219332  59516140441 932 3    40 931 3      C-13-H3C(O)CH3
  475086.9139  0.0031 -6.4955 3  359.3219332  595161404411032 3    401031 3      C-13-H3C(O)CH3
  475093.1186  0.1068 -6.4646 3 1673.7361676  595161404842757 3    842658 3      C-13-H3C(O)CH3
  475093.1186  0.1068 -6.4646 3 1673.7361676  595161404842857 3    842758 3      C-13-H3C(O)CH3
  475114.4801  0.0059 -3.6275 3  196.2540440 -595161404271810 1    2617 9 1      C-13-H3C(O)CH3
  475116.4336  0.0035 -3.4331 3  359.3449664 -595161404411032 1    401031 1      C-13-H3C(O)CH3
  475116.4336  0.0035 -3.4331 3  359.3449664 -59516140441 932 1    40 931 1      C-13-H3C(O)CH3
  475116.4505  0.0035 -5.2685 3  359.3449664  595161404411032 1    40 931 1      C-13-H3C(O)CH3
  475116.4505  0.0035 -5.2685 3  359.3449664  59516140441 932 1    401031 1      C-13-H3C(O)CH3
  475117.7113  0.0035 -3.4348 3  359.3441664  595161404411032 2    401031 2      C-13-H3C(O)CH3
  475117.7113  0.0035 -5.1660 3  359.3441664  59516140441 932 2    401031 2      C-13-H3C(O)CH3
  475117.7210  0.0035 -5.1660 3  359.3441664 -595161404411032 2    40 931 2      C-13-H3C(O)CH3
  475117.7210  0.0035 -3.4348 3  359.3441664 -59516140441 932 2    40 931 2      C-13-H3C(O)CH3
  475122.4571  0.0130 -5.6846 3  462.0250664  595161404412616 1    402714 1      C-13-H3C(O)CH3
  475127.9363  0.0513 -5.1399 3 1039.9256B28  595161404701556 0    701357 0      C-13-H3C(O)CH3
  475127.9363  0.0513 -6.2997 3 1039.9256B28  595161404701556 0    701457 0      C-13-H3C(O)CH3
  475127.9363  0.0513 -6.2997 3 1039.9256B28  595161404701456 0    701357 0      C-13-H3C(O)CH3
  475127.9363  0.0513 -5.1399 3 1039.9256B28  595161404701456 0    701457 0      C-13-H3C(O)CH3
  475130.8592  0.0078 -4.1194 3  288.6142268  595161404331815 3    321914 3      C-13-H3C(O)CH3
  475131.0850  0.1210 -6.2203 3 1673.7160D52  595161404842857 1    842658 1      C-13-H3C(O)CH3
  475131.0850  0.1210 -6.2203 3 1673.7160D52  595161404842757 1    842758 1      C-13-H3C(O)CH3
  475135.5732  0.1202 -6.1706 3 1673.7193D52  595161404842757 2    842658 2      C-13-H3C(O)CH3
  475135.5732  0.1202 -6.1706 3 1673.7193D52  595161404842857 2    842758 2      C-13-H3C(O)CH3
  475136.9878  0.0060 -4.1194 3  288.6141268  595161404331815 4    321914 4      C-13-H3C(O)CH3
  475138.9263  0.0062 -3.8191 3  288.6323536  595161404331815 2    321914 2      C-13-H3C(O)CH3
  475140.0676  0.0177 -4.9737 3  186.3552424  5951614042619 8 1    2518 7 1      C-13-H3C(O)CH3
  475147.2037  0.0029 -3.7374 3  359.3670664  595161404411032 0    40 931 0      C-13-H3C(O)CH3
  475147.2037  0.0029 -3.7185 3  359.3670664  59516140441 932 0    40 931 0      C-13-H3C(O)CH3
  475147.2084  0.0029 -3.7374 3  359.3670664 -59516140441 932 0    401031 0      C-13-H3C(O)CH3
  475147.2084  0.0029 -3.7185 3  359.3670664 -595161404411032 0    401031 0      C-13-H3C(O)CH3
  475173.5360  0.1333 -6.2094 3 1673.6992D52  595161404842757 0    842658 0      C-13-H3C(O)CH3
  475173.5360  0.1333 -6.2094 3 1673.6992D52  595161404842857 0    842758 0      C-13-H3C(O)CH3
  475226.2726  0.0345 -6.0353 3  554.4366712  595161404443213 0    442916 0      C-13-H3C(O)CH3
  475242.2610  0.0061 -3.8179 3  288.6380536  595161404331815 1    321914 1      C-13-H3C(O)CH3
  475249.9447  0.0053 -3.8187 3  288.6561536  595161404331815 0    321914 0      C-13-H3C(O)CH3
  475252.4304  0.0611 -5.1345 3 1039.9153B28  595161404701456 1    701357 1      C-13-H3C(O)CH3
  475252.4304  0.0611 -5.1345 3 1039.9153B28  595161404701556 1    701457 1      C-13-H3C(O)CH3
  475252.4304  0.0611 -6.3799 3 1039.9153B28  595161404701456 1    701457 1      C-13-H3C(O)CH3
  475252.4304  0.0611 -6.3799 3 1039.9153B28  595161404701556 1    701357 1      C-13-H3C(O)CH3
  475253.5341  0.0610 -5.1106 3 1039.9151B28  595161404701456 2    701457 2      C-13-H3C(O)CH3
  475253.5341  0.0610 -5.1128 3 1039.9151B28  595161404701556 2    701357 2      C-13-H3C(O)CH3
  475267.1513  0.0222 -5.4883 3  462.0025332  595161404412616 4    402714 4      C-13-H3C(O)CH3
  475294.9801  0.1459 -6.3746 3  844.8794444  595161404553620 3    553323 3      C-13-H3C(O)CH3
  475317.2364  0.0114 -5.8972 3  425.2982648  595161404402119 0    401822 0      C-13-H3C(O)CH3
  475322.5118  0.0144 -5.8974 3  425.2699648  595161404402119 2    401822 2      C-13-H3C(O)CH3
  475355.4090  0.0051 -3.6166 3  196.2486440 -595161404271810 2    2617 9 2      C-13-H3C(O)CH3
  475364.9594  0.0381 -6.1397 3  554.4292712  595161404443213 2    442916 2      C-13-H3C(O)CH3
  475378.1719  0.0503 -6.3371 3 1039.9048564  595161404701456 3    701457 3      C-13-H3C(O)CH3
  475378.1719  0.0503 -5.4661 3 1039.9048564  595161404701456 3    701357 3      C-13-H3C(O)CH3
  475378.1719  0.0503 -5.4661 3 1039.9048564  595161404701556 3    701457 3      C-13-H3C(O)CH3
  475378.1719  0.0503 -6.3371 3 1039.9048564  595161404701556 3    701357 3      C-13-H3C(O)CH3
  475378.3742  0.0503 -5.4139 3 1039.9048564  595161404701456 4    701457 4      C-13-H3C(O)CH3
  475378.3742  0.0503 -5.4139 3 1039.9048564  595161404701556 4    701357 4      C-13-H3C(O)CH3
  475385.7482  0.0466 -6.3940 3  554.4124356  595161404443213 4    442916 4      C-13-H3C(O)CH3
  475387.9156  0.0066 -5.2941 3   67.1540156  59516140419 415 3    18 316 3      C-13-H3C(O)CH3
  475387.9157  0.0066 -5.2941 3   67.1540156  59516140419 515 3    18 216 3      C-13-H3C(O)CH3
  475388.2257  0.0082 -5.2941 3   67.1540156  59516140419 415 4    18 316 4      C-13-H3C(O)CH3
  475388.2258  0.0082 -5.2941 3   67.1540156  59516140419 515 4    18 216 4      C-13-H3C(O)CH3
  475397.2493  0.0125 -5.8967 3  425.2726648  595161404402119 1    401822 1      C-13-H3C(O)CH3
  475400.1486  0.0049 -3.5672 3  384.2063396  59516140449 149 4    48 148 4      C-13-H3C(O)CH3
  475400.1486  0.0049 -3.5672 3  384.2063396  59516140449 049 4    48 048 4      C-13-H3C(O)CH3
  475400.1589  0.0049 -3.5654 3  384.2063396  59516140449 149 3    48 048 3      C-13-H3C(O)CH3
  475400.1589  0.0049 -3.5654 3  384.2063396  59516140449 049 3    48 148 3      C-13-H3C(O)CH3
  475400.1723  0.0049 -5.9439 3  384.2063396 -59516140449 049 4    48 148 4      C-13-H3C(O)CH3
  475400.1723  0.0049 -5.9439 3  384.2063396 -59516140449 149 4    48 048 4      C-13-H3C(O)CH3
  475402.6795  0.0153 -6.1977 3  425.2443324  595161404402119 3    401822 3      C-13-H3C(O)CH3
  475403.5374  0.0152 -6.1977 3  425.2443324  595161404402119 4    401822 4      C-13-H3C(O)CH3
  475404.4843  0.0064 -4.8204 3  384.1399792 -59516140449 149 2    48 148 2      C-13-H3C(O)CH3
  475404.4843  0.0064 -3.2764 3  384.1399792 -59516140449 149 2    48 048 2      C-13-H3C(O)CH3
  475404.4843  0.0064 -4.8204 3  384.1399792 -59516140449 049 2    48 048 2      C-13-H3C(O)CH3
  475404.4843  0.0069 -5.3407 3  384.1402792 -59516140449 149 1    48 148 1      C-13-H3C(O)CH3
  475404.4843  0.0069 -3.2679 3  384.1402792 -59516140449 049 1    48 148 1      C-13-H3C(O)CH3
  475404.4843  0.0069 -3.2679 3  384.1402792 -59516140449 149 1    48 048 1      C-13-H3C(O)CH3
  475404.4843  0.0069 -5.3407 3  384.1402792 -59516140449 049 1    48 048 1      C-13-H3C(O)CH3
  475404.4843  0.0064 -3.2764 3  384.1399792 -59516140449 049 2    48 148 2      C-13-H3C(O)CH3
  475408.7779  0.0053 -3.8197 3  384.0740792  59516140449 049 0    48 148 0      C-13-H3C(O)CH3
  475408.7779  0.0053 -3.8197 3  384.0740792  59516140449 149 0    48 048 0      C-13-H3C(O)CH3
  475408.8492  0.0053 -3.4057 3  384.0740792 -59516140449 049 0    48 048 0      C-13-H3C(O)CH3
  475408.8492  0.0053 -3.4057 3  384.0740792 -59516140449 149 0    48 148 0      C-13-H3C(O)CH3
  475491.2594  0.0039 -3.5928 3  181.5525204 -5951614042521 4 4    2420 4 4      C-13-H3C(O)CH3
  475506.3394  0.0043 -3.6120 3  196.2586440 -595161404271810 0    2617 9 0      C-13-H3C(O)CH3
  475552.1302  0.0272 -6.5401 3  423.6515308  5951614043830 9 3    382711 3      C-13-H3C(O)CH3
  475570.7434  0.0193 -4.7120 3  186.3554424  5951614042619 8 2    2518 7 2      C-13-H3C(O)CH3
  475638.2785  0.0033 -3.5926 3  181.5057204  5951614042521 5 3    2420 4 3      C-13-H3C(O)CH3
  475640.0293  0.0427 -6.1154 3  997.8499B12  595161404691356 0    691257 0      C-13-H3C(O)CH3
  475640.0293  0.0427 -5.0919 3  997.8499B12  595161404691356 0    691357 0      C-13-H3C(O)CH3
  475640.0293  0.0427 -6.1154 3  997.8499B12  595161404691456 0    691357 0      C-13-H3C(O)CH3
  475640.0293  0.0427 -5.0919 3  997.8499B12  595161404691456 0    691257 0      C-13-H3C(O)CH3
  475681.2263  0.0032 -3.2913 3  181.5571408 -5951614042521 4 1    2420 4 1      C-13-H3C(O)CH3
  475696.0106  0.0035 -3.5923 3  181.5039204  5951614042521 4 3    2420 5 3      C-13-H3C(O)CH3
  475704.8037  0.0424 -6.5364 3  554.4300356  595161404443213 3    442916 3      C-13-H3C(O)CH3
  475727.3206  0.0033 -3.2911 3  181.5698408 -5951614042521 4 2    2420 4 2      C-13-H3C(O)CH3
  475766.0558  0.0505 -5.5313 3  997.8342B12  595161404691356 1    691357 1      C-13-H3C(O)CH3
  475766.0558  0.0505 -5.2274 3  997.8342B12  595161404691356 1    691257 1      C-13-H3C(O)CH3
  475766.0558  0.0505 -5.2274 3  997.8342B12  595161404691456 1    691357 1      C-13-H3C(O)CH3
  475766.0558  0.0505 -5.5313 3  997.8342B12  595161404691456 1    691257 1      C-13-H3C(O)CH3
  475766.5416  0.0502 -5.9884 3  997.8340B12  595161404691356 2    691257 2      C-13-H3C(O)CH3
  475766.5416  0.0502 -5.1058 3  997.8340B12  595161404691356 2    691357 2      C-13-H3C(O)CH3
  475766.5416  0.0502 -5.9884 3  997.8340B12  595161404691456 2    691357 2      C-13-H3C(O)CH3
  475766.5416  0.0502 -5.1058 3  997.8340B12  595161404691456 2    691257 2      C-13-H3C(O)CH3
  475781.0008  0.0251 -6.2401 3  423.6477616  5951614043830 9 1    382712 1      C-13-H3C(O)CH3
  475796.6558  0.0300 -6.5362 3  423.6653308  5951614043830 8 4    382711 4      C-13-H3C(O)CH3
  475819.7903  0.0292 -6.5414 3  423.6256308  5951614043830 9 4    382712 4      C-13-H3C(O)CH3
  475830.4156  0.0080 -4.9918 3   67.0993312  59516140419 415 2    18 316 2      C-13-H3C(O)CH3
  475830.4157  0.0080 -4.9918 3   67.0993312  59516140419 515 2    18 216 2      C-13-H3C(O)CH3
  475836.7130  0.0080 -4.9920 3   67.0998312  59516140419 415 1    18 316 1      C-13-H3C(O)CH3
  475836.7131  0.0080 -4.9920 3   67.0998312  59516140419 515 1    18 216 1      C-13-H3C(O)CH3
  475841.6495  0.0252 -6.2383 3  423.6805616  5951614043830 8 2    382711 2      C-13-H3C(O)CH3
  475842.8127  0.0031 -3.5921 3  181.4572204 -5951614042521 5 4    2420 5 4      C-13-H3C(O)CH3
  475866.6217  0.0090 -6.4176 3  276.1070268  595161404331518 4    331221 4      C-13-H3C(O)CH3
  475866.7964  0.0085 -6.4176 3  276.1070268  595161404331518 3    331221 3      C-13-H3C(O)CH3
  475872.4605  0.0090 -6.4176 3  276.1070268  595161404331618 4    331321 4      C-13-H3C(O)CH3
  475872.6561  0.0085 -6.4176 3  276.1070268  595161404331618 3    331321 3      C-13-H3C(O)CH3
  475873.0783  0.0113 -5.8963 3  425.2982648  595161404402219 0    401922 0      C-13-H3C(O)CH3
  475873.3817  0.0451 -6.5701 3  554.4273712  595161404443212 1    442916 1      C-13-H3C(O)CH3
  475873.4018  0.0029 -3.2909 3  181.5230408 -5951614042521 5 2    2420 5 2      C-13-H3C(O)CH3
  475885.0177  0.0029 -3.2908 3  181.5086408 -5951614042521 5 1    2420 5 1      C-13-H3C(O)CH3
  475892.7075  0.0463 -5.8083 3  997.8183556  595161404691356 3    691357 3      C-13-H3C(O)CH3
  475892.7075  0.0463 -5.5404 3  997.8183556  595161404691456 3    691357 3      C-13-H3C(O)CH3
  475892.7075  0.0463 -5.5404 3  997.8183556  595161404691356 3    691257 3      C-13-H3C(O)CH3
  475892.7075  0.0463 -5.8083 3  997.8183556  595161404691456 3    691257 3      C-13-H3C(O)CH3
  475892.8838  0.0463 -5.3644 3  997.8182556  595161404691456 4    691257 4      C-13-H3C(O)CH3
  475892.8838  0.0463 -5.3644 3  997.8182556  595161404691356 4    691357 4      C-13-H3C(O)CH3
  475898.9488  0.0138 -5.8965 3  425.2699648  595161404402219 2    401922 2      C-13-H3C(O)CH3
  475899.9957  0.1000 -6.3744 3 1623.5913668  595161404832657 4    832658 4      C-13-H3C(O)CH3
  475899.9957  0.1000 -6.3744 3 1623.5913668  595161404832757 4    832558 4      C-13-H3C(O)CH3
  475900.0124  0.1000 -6.4111 3 1623.5913668  595161404832757 3    832658 3      C-13-H3C(O)CH3
  475900.0124  0.1000 -6.4111 3 1623.5913668  595161404832657 3    832558 3      C-13-H3C(O)CH3
  475916.5661  0.0029 -3.2906 3  181.5742408 -5951614042521 5 0    2420 4 0      C-13-H3C(O)CH3
  475916.5661  0.0029 -3.2906 3  181.5742408 -5951614042521 4 0    2420 5 0      C-13-H3C(O)CH3
  475927.6846  0.0084 -6.1166 3  276.1265536  595161404331518 2    331221 2      C-13-H3C(O)CH3
  475929.7443  0.1103 -6.0729 3 1623.5697D36  595161404832657 1    832558 1      C-13-H3C(O)CH3
  475929.7443  0.1103 -6.0729 3 1623.5697D36  595161404832757 1    832658 1      C-13-H3C(O)CH3
  475933.5713  0.0084 -6.1166 3  276.1265536  595161404331618 2    331321 2      C-13-H3C(O)CH3
  475935.4730  0.1113 -6.0776 3 1623.5726D36  595161404832757 2    832558 2      C-13-H3C(O)CH3
  475935.4730  0.1113 -6.0776 3 1623.5726D36  595161404832657 2    832658 2      C-13-H3C(O)CH3
  475948.6928  0.0222 -4.3210 3  186.3254212  5951614042619 8 3    2518 7 3      C-13-H3C(O)CH3
  475959.4755  0.0124 -5.8959 3  425.2726648  595161404402219 1    401922 1      C-13-H3C(O)CH3
  475959.7277  0.3121 -6.5674 3  828.0982444  595161404553223 3    543520 3      C-13-H3C(O)CH3
  475965.2144  0.1204 -6.1188 3 1623.5511D36  595161404832757 0    832658 0      C-13-H3C(O)CH3
  475965.2144  0.1204 -6.1188 3 1623.5511D36  595161404832657 0    832558 0      C-13-H3C(O)CH3
  475971.7092  0.0084 -6.1156 3  276.1285536  595161404331518 1    331221 1      C-13-H3C(O)CH3
  475977.3539  0.0084 -6.1156 3  276.1285536  595161404331618 1    331321 1      C-13-H3C(O)CH3
  475985.7423  0.0145 -6.1969 3  425.2443324  595161404402219 4    401922 4      C-13-H3C(O)CH3
  475985.8795  0.0144 -6.1969 3  425.2443324  595161404402219 3    401922 3      C-13-H3C(O)CH3
  476018.7401  0.0255 -6.2384 3  423.6616616  5951614043830 8 1    382711 1      C-13-H3C(O)CH3
  476026.5856  0.0208 -6.5677 3   78.7917140  5951614041715 3 3    1612 4 3      C-13-H3C(O)CH3
  476032.5593  0.0075 -6.1152 3  276.1479536  595161404331518 0    331221 0      C-13-H3C(O)CH3
  476038.2332  0.0075 -6.1152 3  276.1479536  595161404331618 0    331321 0      C-13-H3C(O)CH3
  476045.4182  0.0243 -6.2393 3  423.6774616  5951614043830 8 0    382711 0      C-13-H3C(O)CH3
  476067.1339  0.0282 -6.5419 3  423.6394308  5951614043830 8 3    382712 3      C-13-H3C(O)CH3
  476098.9661  0.0242 -6.2393 3  423.6756616  5951614043830 9 0    382712 0      C-13-H3C(O)CH3
  476113.2475  0.0250 -6.2418 3  423.6546616  5951614043830 9 2    382712 2      C-13-H3C(O)CH3
  476139.5251  0.0030 -3.7330 3  366.0157340  59516140442 934 4    41 833 4      C-13-H3C(O)CH3
  476139.5251  0.0030 -3.7330 3  366.0157340  59516140442 834 4    41 933 4      C-13-H3C(O)CH3
  476139.5339  0.0030 -3.9421 3  366.0157340 -59516140442 834 3    41 833 3      C-13-H3C(O)CH3
  476139.5339  0.0030 -4.0906 3  366.0157340 -59516140442 934 3    41 833 3      C-13-H3C(O)CH3
  476139.5339  0.0030 -4.9791 3  366.0157340 -59516140442 934 4    41 933 4      C-13-H3C(O)CH3
  476139.5339  0.0030 -4.9791 3  366.0157340 -59516140442 834 4    41 833 4      C-13-H3C(O)CH3
  476139.5969  0.0030 -4.0906 3  366.0157340  59516140442 834 3    41 933 3      C-13-H3C(O)CH3
  476139.5969  0.0030 -3.9421 3  366.0157340  59516140442 934 3    41 933 3      C-13-H3C(O)CH3
  476142.3507  0.0348 -4.9981 3  956.3549A96  595161404681356 0    681257 0      C-13-H3C(O)CH3
  476142.3507  0.0348 -4.9981 3  956.3549A96  595161404681256 0    681157 0      C-13-H3C(O)CH3
  476147.2397  0.0145 -6.1712 3   78.7917140  5951614041715 2 3    1612 4 3      C-13-H3C(O)CH3
  476149.2503  0.0130 -6.0212 3   78.7135140  5951614041715 3 4    1612 5 4      C-13-H3C(O)CH3
  476156.2093  0.0055 -5.4217 3   91.4008156  5951614041913 6 3    1810 9 3      C-13-H3C(O)CH3
  476171.0971  0.0035 -3.4952 3  366.0365680  59516140442 934 1    41 933 1      C-13-H3C(O)CH3
  476171.0971  0.0035 -3.4952 3  366.0365680  59516140442 834 1    41 833 1      C-13-H3C(O)CH3
  476171.1437  0.0035 -4.1479 3  366.0365680 -59516140442 934 1    41 833 1      C-13-H3C(O)CH3
  476171.1437  0.0035 -4.1479 3  366.0365680 -59516140442 834 1    41 933 1      C-13-H3C(O)CH3
  476172.0847  0.0035 -3.4080 3  366.0358680 -59516140442 834 2    41 933 2      C-13-H3C(O)CH3
  476172.0847  0.0035 -3.4080 3  366.0358680 -59516140442 934 2    41 833 2      C-13-H3C(O)CH3
  476183.5958  0.0283 -5.5867 3  705.9711792  595161404493812 0    4839 9 0      C-13-H3C(O)CH3
  476183.5973  0.0283 -5.5867 3  705.9711792  595161404493811 0    483910 0      C-13-H3C(O)CH3
  476203.4726  0.0028 -3.5217 3  366.0565680 -59516140442 834 0    41 933 0      C-13-H3C(O)CH3
  476203.4726  0.0028 -4.0455 3  366.0565680 -59516140442 834 0    41 833 0      C-13-H3C(O)CH3
  476203.4726  0.0028 -3.5217 3  366.0565680 -59516140442 934 0    41 833 0      C-13-H3C(O)CH3
  476203.4726  0.0028 -4.0455 3  366.0565680 -59516140442 934 0    41 933 0      C-13-H3C(O)CH3
  476234.7649  0.0309 -5.5871 3  705.9960792  595161404493811 1    4839 9 1      C-13-H3C(O)CH3
  476263.5336  0.0415 -5.1592 3  956.3341A96  595161404681356 1    681257 1      C-13-H3C(O)CH3
  476263.5336  0.0415 -5.1592 3  956.3341A96  595161404681256 1    681157 1      C-13-H3C(O)CH3
  476263.5336  0.0415 -5.5057 3  956.3341A96  595161404681256 1    681257 1      C-13-H3C(O)CH3
  476263.5336  0.0415 -5.5057 3  956.3341A96  595161404681356 1    681157 1      C-13-H3C(O)CH3
  476263.5814  0.0410 -5.2486 3  956.3339A96  595161404681356 2    681157 2      C-13-H3C(O)CH3
  476263.5814  0.0410 -5.3555 3  956.3339A96  595161404681256 2    681157 2      C-13-H3C(O)CH3
  476263.5814  0.0410 -5.3555 3  956.3339A96  595161404681356 2    681257 2      C-13-H3C(O)CH3
  476263.5814  0.0410 -5.2486 3  956.3339A96  595161404681256 2    681257 2      C-13-H3C(O)CH3
  476271.9054  0.0126 -5.6990 3   93.6091156  5951614041914 6 4    1811 8 4      C-13-H3C(O)CH3
  476278.2067  0.0078 -4.9905 3   67.0453312  59516140419 415 0    18 316 0      C-13-H3C(O)CH3
  476278.2068  0.0078 -4.9905 3   67.0453312  59516140419 515 0    18 216 0      C-13-H3C(O)CH3
  476284.3675  0.0035 -3.7458 3  186.3578212 -5951614042619 7 4    2518 7 4      C-13-H3C(O)CH3
  476347.9116  0.0039 -3.8747 3  186.3254212 -5951614042619 7 3    2518 7 3      C-13-H3C(O)CH3
  476372.8250  0.0296 -5.5868 3  705.9699792  595161404493812 1    483910 1      C-13-H3C(O)CH3
  476384.8936  0.0424 -5.3174 3  956.3131548  595161404681256 3    681257 3      C-13-H3C(O)CH3
  476384.8936  0.0424 -5.3174 3  956.3131548  595161404681356 3    681157 3      C-13-H3C(O)CH3
  476385.0246  0.0424 -5.3703 3  956.3131548  595161404681256 4    681157 4      C-13-H3C(O)CH3
  476385.0246  0.0424 -5.3703 3  956.3131548  595161404681356 4    681257 4      C-13-H3C(O)CH3
  476385.0246  0.0424 -6.1154 3  956.3131548  595161404681356 4    681157 4      C-13-H3C(O)CH3
  476385.0246  0.0424 -6.1154 3  956.3131548  595161404681256 4    681257 4      C-13-H3C(O)CH3
  476431.6643  0.0288 -5.5863 3  705.9844792  595161404493812 2    483910 2      C-13-H3C(O)CH3
  476436.3115  0.0029 -3.4530 3  186.3552424 -5951614042619 7 1    2518 7 1      C-13-H3C(O)CH3
  476441.7644  0.0028 -3.4394 3  186.3572424 -5951614042619 8 0    2518 7 0      C-13-H3C(O)CH3
  476470.8344  0.0299 -5.5869 3  705.9949792  595161404493811 2    4839 9 2      C-13-H3C(O)CH3
  476473.6360  0.0042 -3.8741 3  186.3079212 -5951614042619 8 3    2518 8 3      C-13-H3C(O)CH3
  476482.5578  0.0354 -5.8878 3  706.0094396  595161404493811 3    4839 9 3      C-13-H3C(O)CH3
  476498.1426  0.0032 -3.4633 3  186.3554424 -5951614042619 7 2    2518 7 2      C-13-H3C(O)CH3
  476523.5160  0.0382 -5.8884 3  706.0198396  595161404493811 4    4839 9 4      C-13-H3C(O)CH3
  476538.7196  0.0031 -3.7461 3  186.2754212 -5951614042619 8 4    2518 8 4      C-13-H3C(O)CH3
  476597.7956  0.0029 -3.4529 3  186.3066424 -5951614042619 8 1    2518 8 1      C-13-H3C(O)CH3
  476616.5388  0.0051 -5.1301 3   91.3751312  5951614041913 6 2    1810 9 2      C-13-H3C(O)CH3
  476619.9664  0.0335 -5.8874 3  705.9832396  595161404493812 4    483910 4      C-13-H3C(O)CH3
  476623.3596  0.0049 -5.1372 3   91.3779312  5951614041913 6 1    1810 9 1      C-13-H3C(O)CH3
  476637.3748  0.0281 -4.9481 3  915.4411A80  595161404671256 0    671057 0      C-13-H3C(O)CH3
  476637.3748  0.0281 -4.9481 3  915.4411A80  595161404671156 0    671157 0      C-13-H3C(O)CH3
  476644.0877  0.0031 -3.4636 3  186.3196424 -5951614042619 8 2    2518 8 2      C-13-H3C(O)CH3
  476660.0527  0.0353 -5.8881 3  705.9938396  595161404493812 3    483910 3      C-13-H3C(O)CH3
  476673.9076  0.0070 -5.4727 3   91.4006156  5951614041913 6 4    1810 9 4      C-13-H3C(O)CH3
  476681.6765  0.0948 -6.5546 3 1574.0143660  595161404822657 3    822558 3      C-13-H3C(O)CH3
  476681.6765  0.0948 -6.5546 3 1574.0143660  595161404822557 3    822458 3      C-13-H3C(O)CH3
  476681.6798  0.0948 -6.3811 3 1574.0143660  595161404822657 4    822458 4      C-13-H3C(O)CH3
  476681.6798  0.0948 -6.3811 3 1574.0143660  595161404822557 4    822558 4      C-13-H3C(O)CH3
  476691.5826  0.0151 -6.1712 3   78.7695140  5951614041715 3 3    1612 5 3      C-13-H3C(O)CH3
  476697.4767  0.0140 -6.0325 3   78.8476140  5951614041715 2 4    1612 4 4      C-13-H3C(O)CH3
  476701.5440  0.1060 -5.9983 3 1573.9918D20  595161404822557 1    822558 1      C-13-H3C(O)CH3
  476701.5440  0.1060 -5.9983 3 1573.9918D20  595161404822657 1    822458 1      C-13-H3C(O)CH3
  476708.1870  0.1079 -6.0184 3 1573.9943D20  595161404822557 2    822558 2      C-13-H3C(O)CH3
  476708.1870  0.1079 -6.0184 3 1573.9943D20  595161404822657 2    822458 2      C-13-H3C(O)CH3
  476728.0774  0.1120 -6.0527 3 1573.9718D20  595161404822657 0    822558 0      C-13-H3C(O)CH3
  476728.0774  0.1120 -6.0527 3 1573.9718D20  595161404822557 0    822458 0      C-13-H3C(O)CH3
  476745.6884  0.0348 -6.0347 3  915.4157A80  595161404671156 2    671057 2      C-13-H3C(O)CH3
  476745.6884  0.0348 -4.9845 3  915.4157A80  595161404671256 2    671057 2      C-13-H3C(O)CH3
  476745.6884  0.0348 -6.0347 3  915.4157A80  595161404671256 2    671157 2      C-13-H3C(O)CH3
  476745.6884  0.0348 -4.9845 3  915.4157A80  595161404671156 2    671157 2      C-13-H3C(O)CH3
  476745.8788  0.0355 -4.9555 3  915.4159A80  595161404671256 1    671157 1      C-13-H3C(O)CH3
  476745.8788  0.0355 -4.9555 3  915.4159A80  595161404671156 1    671057 1      C-13-H3C(O)CH3
  476800.3230  0.0046 -5.1154 3   91.3523312  5951614041913 6 0    1810 9 0      C-13-H3C(O)CH3
  476812.2367  0.0199 -6.5666 3   78.7695140  5951614041715 2 3    1612 5 3      C-13-H3C(O)CH3
  476854.3050  0.0386 -5.4412 3  915.3904540  595161404671256 3    671057 3      C-13-H3C(O)CH3
  476854.3050  0.0386 -5.6933 3  915.3904540  595161404671256 3    671157 3      C-13-H3C(O)CH3
  476854.3050  0.0386 -5.6933 3  915.3904540  595161404671156 3    671057 3      C-13-H3C(O)CH3
  476854.3050  0.0386 -5.4412 3  915.3904540  595161404671156 3    671157 3      C-13-H3C(O)CH3
  476854.3685  0.0386 -5.2606 3  915.3904540  595161404671156 4    671157 4      C-13-H3C(O)CH3
  476854.3685  0.0386 -5.2606 3  915.3904540  595161404671256 4    671057 4      C-13-H3C(O)CH3
  476856.5222  0.0303 -6.4714 3  486.6784332  595161404413111 3    412813 3      C-13-H3C(O)CH3
  476872.7712  0.0217 -4.3198 3  186.3079212  5951614042619 7 3    2518 8 3      C-13-H3C(O)CH3
  476876.4135  0.0275 -6.1142 3  486.6908664  595161404413110 0    412813 0      C-13-H3C(O)CH3
  476910.5671  0.0028 -3.4387 3  186.3462424 -5951614042619 7 0    2518 8 0      C-13-H3C(O)CH3
  476955.1034  0.0377 -5.9253 3  683.6252808  595161404503021 0    502724 0      C-13-H3C(O)CH3
  476965.3302  0.0296 -6.4164 3  486.7001332  595161404413110 4    412813 4      C-13-H3C(O)CH3
  476966.2227  0.0273 -6.1236 3  486.7019664  595161404413110 2    412813 2      C-13-H3C(O)CH3
  476999.8617  0.0279 -6.1387 3  486.6849664  595161404413110 1    412813 1      C-13-H3C(O)CH3
  477015.1368  0.0112 -5.7299 3   78.7245280  5951614041715 3 1    1612 5 1      C-13-H3C(O)CH3
  477036.1223  0.0297 -6.1400 3  486.6584664  595161404413111 1    412814 1      C-13-H3C(O)CH3
  477038.0106  0.0385 -5.9249 3  683.6152808  595161404503021 2    502724 2      C-13-H3C(O)CH3
  477050.8359  0.0400 -5.9246 3  683.6169808  595161404503021 1    502724 1      C-13-H3C(O)CH3
  477073.9601  0.0493 -6.4278 3  844.8794452  595161404563026 3    553323 3      C-13-H3C(O)CH3
  477077.3303  0.1420 -6.2688 3  764.8464428  595161404533023 3    523320 3      C-13-H3C(O)CH3
  477090.1465  0.0478 -6.4277 3  844.8789452  595161404563026 4    553323 4      C-13-H3C(O)CH3
  477104.3535  0.0674 -6.1284 3  844.8761904  595161404563026 1    553323 1      C-13-H3C(O)CH3
  477125.6984  0.0553 -6.1277 3  844.8755904  595161404563026 2    553323 2      C-13-H3C(O)CH3
  477127.7368  0.0233 -5.3336 3  875.1090A64  595161404661156 0    66 957 0      C-13-H3C(O)CH3
  477127.7368  0.0233 -5.3336 3  875.1090A64  595161404661056 0    661057 0      C-13-H3C(O)CH3
  477127.7368  0.0233 -5.1030 3  875.1090A64  595161404661056 0    66 957 0      C-13-H3C(O)CH3
  477127.7368  0.0233 -5.1030 3  875.1090A64  595161404661156 0    661057 0      C-13-H3C(O)CH3
  477127.8797  0.0391 -6.2252 3  683.6068404  595161404503021 4    502724 4      C-13-H3C(O)CH3
  477143.7915  0.0381 -6.2252 3  683.6068404  595161404503021 3    502724 3      C-13-H3C(O)CH3
  477144.4579  0.0683 -6.1294 3  844.8725904  595161404563026 0    553323 0      C-13-H3C(O)CH3
  477147.4851  0.0105 -5.7341 3   78.7327280  5951614041715 3 2    1612 5 2      C-13-H3C(O)CH3
  477151.4560  0.0112 -5.7354 3   78.7981280  5951614041715 2 1    1612 4 1      C-13-H3C(O)CH3
  477209.8694  0.0029 -4.2701 3  372.1627348 -59516140443 736 3    42 735 3      C-13-H3C(O)CH3
  477209.8694  0.0029 -4.6050 3  372.1627348 -59516140443 736 4    42 735 4      C-13-H3C(O)CH3
  477209.8694  0.0029 -4.6050 3  372.1627348 -59516140443 836 4    42 835 4      C-13-H3C(O)CH3
  477209.8694  0.0029 -4.2701 3  372.1627348 -59516140443 836 3    42 835 3      C-13-H3C(O)CH3
  477209.9176  0.0029 -3.7475 3  372.1627348  59516140443 836 4    42 735 4      C-13-H3C(O)CH3
  477209.9176  0.0029 -3.7475 3  372.1627348  59516140443 736 4    42 835 4      C-13-H3C(O)CH3
  477209.9815  0.0029 -3.8239 3  372.1627348  59516140443 736 3    42 835 3      C-13-H3C(O)CH3
  477209.9815  0.0029 -3.8239 3  372.1627348  59516140443 836 3    42 735 3      C-13-H3C(O)CH3
  477213.9172  0.0327 -5.9956 3  875.0801A64  595161404661056 2    66 957 2      C-13-H3C(O)CH3
  477213.9172  0.0327 -4.9384 3  875.0801A64  595161404661156 2    66 957 2      C-13-H3C(O)CH3
  477213.9172  0.0327 -4.9384 3  875.0801A64  595161404661056 2    661057 2      C-13-H3C(O)CH3
  477213.9172  0.0327 -5.9956 3  875.0801A64  595161404661156 2    661057 2      C-13-H3C(O)CH3
  477214.1430  0.0334 -4.9022 3  875.0803A64  595161404661156 1    661057 1      C-13-H3C(O)CH3
  477214.1430  0.0334 -4.9022 3  875.0803A64  595161404661056 1    66 957 1      C-13-H3C(O)CH3
  477217.3598  0.0089 -4.0117 3  209.8799228  595161404281811 4    271710 4      C-13-H3C(O)CH3
  477241.2471  0.0100 -4.0097 3  209.8800228  595161404281811 3    271710 3      C-13-H3C(O)CH3
  477243.3323  0.0035 -3.7366 3  372.1804696 -59516140443 836 1    42 735 1      C-13-H3C(O)CH3
  477243.3323  0.0035 -3.6498 3  372.1804696 -59516140443 736 1    42 735 1      C-13-H3C(O)CH3
  477243.3717  0.0035 -3.7366 3  372.1804696  59516140443 736 1    42 835 1      C-13-H3C(O)CH3
  477243.3717  0.0035 -3.6498 3  372.1804696  59516140443 836 1    42 835 1      C-13-H3C(O)CH3
  477244.0890  0.0034 -3.5308 3  372.1798696  59516140443 736 2    42 835 2      C-13-H3C(O)CH3
  477244.0890  0.0034 -3.5308 3  372.1798696  59516140443 836 2    42 735 2      C-13-H3C(O)CH3
  477244.1298  0.0034 -3.9478 3  372.1798696 -59516140443 836 2    42 835 2      C-13-H3C(O)CH3
  477244.1298  0.0034 -3.9478 3  372.1798696 -59516140443 736 2    42 735 2      C-13-H3C(O)CH3
  477252.6247  0.0274 -6.1136 3  486.6782664  595161404413111 0    412814 0      C-13-H3C(O)CH3
  477257.0840  0.0235 -5.1891 3  604.0578744  595161404463314 2    453412 2      C-13-H3C(O)CH3
  477277.3986  0.0027 -4.7620 3  372.1975696 -59516140443 836 0    42 735 0      C-13-H3C(O)CH3
  477277.3986  0.0027 -3.4665 3  372.1975696 -59516140443 736 0    42 735 0      C-13-H3C(O)CH3
  477277.4268  0.0027 -3.4088 3  372.1975696  59516140443 836 0    42 835 0      C-13-H3C(O)CH3
  477277.4268  0.0027 -4.1820 3  372.1975696  59516140443 736 0    42 835 0      C-13-H3C(O)CH3
  477286.8870  0.0518 -6.4618 3  903.3670872  5951614045447 7 1    5348 5 1      C-13-H3C(O)CH3
  477287.2847  0.0224 -5.1895 3  604.0534744  595161404463314 0    453411 0      C-13-H3C(O)CH3
  477288.0121  0.3075 -6.2824 3  828.0706888  595161404553223 2    543520 2      C-13-H3C(O)CH3
  477290.1733  0.1188 -6.2762 3  764.8394428  595161404533023 4    523320 4      C-13-H3C(O)CH3
  477292.7383  0.0224 -5.1895 3  604.0534744  595161404463313 0    453412 0      C-13-H3C(O)CH3
  477300.3837  0.0349 -5.6795 3  875.0513532  595161404661056 4    661057 4      C-13-H3C(O)CH3
  477300.3837  0.0349 -5.3789 3  875.0513532  595161404661056 4    66 957 4      C-13-H3C(O)CH3
  477300.3837  0.0349 -5.3789 3  875.0513532  595161404661156 4    661057 4      C-13-H3C(O)CH3
  477300.3837  0.0349 -5.6795 3  875.0513532  595161404661156 4    66 957 4      C-13-H3C(O)CH3
  477300.4114  0.0349 -5.3639 3  875.0513532  595161404661156 3    66 957 3      C-13-H3C(O)CH3
  477300.4114  0.0349 -5.7109 3  875.0513532  595161404661156 3    661057 3      C-13-H3C(O)CH3
  477300.4114  0.0349 -5.3639 3  875.0513532  595161404661056 3    661057 3      C-13-H3C(O)CH3
  477300.4114  0.0349 -5.7109 3  875.0513532  595161404661056 3    66 957 3      C-13-H3C(O)CH3
  477304.1109  0.1061 -6.2234 3  872.0269920  595161404573127 0    563224 0      C-13-H3C(O)CH3
  477345.3584  0.0355 -6.4206 3  486.6368332  595161404413111 4    412814 4      C-13-H3C(O)CH3
  477347.6054  0.0076 -3.7092 3  209.8921456 -595161404281811 1    271710 1      C-13-H3C(O)CH3
  477360.1520  0.0211 -6.5658 3  344.8308568  595161404352510 0    352015 0      C-13-H3C(O)CH3
  477367.3712  0.0255 -5.4901 3  604.0453372  595161404463314 4    453412 4      C-13-H3C(O)CH3
  477374.4976  0.0580 -6.4626 3  903.3473872  5951614045447 8 2    5348 5 2      C-13-H3C(O)CH3
  477399.4322  0.0252 -5.4904 3  604.0736372  595161404463314 3    453411 3      C-13-H3C(O)CH3
  477400.0343  0.0235 -5.1894 3  604.0411744  595161404463314 1    453412 1      C-13-H3C(O)CH3
  477429.5754  0.2054 -6.2739 3  828.0687888  595161404553223 1    543520 1      C-13-H3C(O)CH3
  477433.9901  0.0236 -5.1896 3  604.0692744  595161404463313 1    453411 1      C-13-H3C(O)CH3
  477434.1108  0.0301 -6.1263 3  486.6612664  595161404413111 2    412814 2      C-13-H3C(O)CH3
  477438.8993  0.0908 -6.2576 3 1525.0062652  595161404812557 3    812358 3      C-13-H3C(O)CH3
  477438.8993  0.0908 -6.2576 3 1525.0062652  595161404812457 3    812458 3      C-13-H3C(O)CH3
  477438.9245  0.0908 -6.2993 3 1525.0062652  595161404812557 4    812358 4      C-13-H3C(O)CH3
  477438.9245  0.0908 -6.2993 3 1525.0062652  595161404812457 4    812458 4      C-13-H3C(O)CH3
  477439.8648  0.0109 -5.7398 3   78.7971280  5951614041715 2 2    1612 4 2      C-13-H3C(O)CH3
  477447.3289  0.1065 -5.9402 3 1524.9833D04  595161404812457 1    812458 1      C-13-H3C(O)CH3
  477447.3289  0.1065 -5.9402 3 1524.9833D04  595161404812557 1    812358 1      C-13-H3C(O)CH3
  477454.5538  0.1085 -6.3890 3 1524.9854D04  595161404812557 2    812458 2      C-13-H3C(O)CH3
  477454.5538  0.1085 -6.0663 3 1524.9854D04  595161404812457 2    812458 2      C-13-H3C(O)CH3
  477454.5538  0.1085 -6.0663 3 1524.9854D04  595161404812557 2    812358 2      C-13-H3C(O)CH3
  477454.5538  0.1085 -6.3890 3 1524.9854D04  595161404812457 2    812358 2      C-13-H3C(O)CH3
  477456.0678  0.0316 -6.4727 3  486.6586332  595161404413110 3    412814 3      C-13-H3C(O)CH3
  477463.0199  0.1074 -5.9102 3 1524.9625D04  595161404812557 0    812358 0      C-13-H3C(O)CH3
  477463.0199  0.1074 -5.9102 3 1524.9625D04  595161404812457 0    812458 0      C-13-H3C(O)CH3
  477483.6482  0.0559 -6.4623 3  903.3527872  5951614045447 8 1    5348 6 1      C-13-H3C(O)CH3
  477497.0710  0.0157 -6.3172 3  376.4815600  595161404372413 0    371918 0      C-13-H3C(O)CH3
  477523.2320  0.0094 -5.4728 3   93.5893312  5951614041914 6 1    1811 8 1      C-13-H3C(O)CH3
  477537.5160  0.0232 -5.1893 3  604.0828744  595161404463313 2    453411 2      C-13-H3C(O)CH3
  477571.5454  0.0189 -4.7089 3  186.3196424  5951614042619 7 2    2518 8 2      C-13-H3C(O)CH3
  477582.1245  0.0523 -6.4613 3  903.3274872  5951614045447 7 0    5348 6 0      C-13-H3C(O)CH3
  477582.1245  0.0523 -6.4613 3  903.3274872  5951614045447 8 0    5348 5 0      C-13-H3C(O)CH3
  477616.2278  0.0209 -4.8670 3  835.3589A48  59516140465 956 0    65 957 0      C-13-H3C(O)CH3
  477616.2278  0.0209 -4.8670 3  835.3589A48  595161404651056 0    65 857 0      C-13-H3C(O)CH3
  477625.7460  0.0158 -6.3177 3  376.4577600  595161404372413 1    371918 1      C-13-H3C(O)CH3
  477636.4265  0.0072 -3.7064 3  209.8812456 -595161404281811 2    271710 2      C-13-H3C(O)CH3
  477646.1658  0.0234 -5.4903 3  604.0704372  595161404463313 3    453412 3      C-13-H3C(O)CH3
  477665.7002  0.0106 -5.7280 3   78.7552280  5951614041715 3 0    1612 4 0      C-13-H3C(O)CH3
  477669.3401  0.0339 -5.0263 3  835.3278A48  59516140465 956 2    65 857 2      C-13-H3C(O)CH3
  477669.3401  0.0339 -5.3632 3  835.3278A48  59516140465 956 2    65 957 2      C-13-H3C(O)CH3
  477669.3401  0.0339 -5.3632 3  835.3278A48  595161404651056 2    65 857 2      C-13-H3C(O)CH3
  477669.3401  0.0339 -5.0263 3  835.3278A48  595161404651056 2    65 957 2      C-13-H3C(O)CH3
  477669.4151  0.0343 -5.1322 3  835.3280A48  595161404651056 1    65 957 1      C-13-H3C(O)CH3
  477669.4151  0.0343 -5.1322 3  835.3280A48  59516140465 956 1    65 857 1      C-13-H3C(O)CH3
  477669.4151  0.0343 -5.1958 3  835.3280A48  59516140465 956 1    65 957 1      C-13-H3C(O)CH3
  477669.4151  0.0343 -5.1958 3  835.3280A48  595161404651056 1    65 857 1      C-13-H3C(O)CH3
  477675.0841  0.0661 -6.2954 3  543.4061356  595161404443015 3    433112 3      C-13-H3C(O)CH3
  477680.5674  0.0273 -5.4904 3  604.0986372  595161404463313 4    453411 4      C-13-H3C(O)CH3
  477711.5644  0.0980 -6.2204 3  872.0182920  595161404573127 1    563224 1      C-13-H3C(O)CH3
  477722.4404  0.0313 -6.2162 3  835.2968524  595161404651056 4    65 857 4      C-13-H3C(O)CH3
  477722.4404  0.0313 -5.2029 3  835.2968524  595161404651056 4    65 957 4      C-13-H3C(O)CH3
  477722.4404  0.0313 -5.2029 3  835.2968524  59516140465 956 4    65 857 4      C-13-H3C(O)CH3
  477722.4404  0.0313 -6.2162 3  835.2968524  59516140465 956 4    65 957 4      C-13-H3C(O)CH3
  477722.5811  0.0313 -5.1635 3  835.2969524  595161404651056 3    65 857 3      C-13-H3C(O)CH3
  477722.5811  0.0313 -5.1635 3  835.2969524  59516140465 956 3    65 957 3      C-13-H3C(O)CH3
  477748.9036  0.0062 -3.7060 3  209.8934456 -595161404281811 0    271710 0      C-13-H3C(O)CH3
  477751.0349  0.1538 -6.2198 3  872.0173920  595161404573127 2    563224 2      C-13-H3C(O)CH3
  477761.4690  0.1492 -5.9660 3  764.8335856  595161404533023 2    523320 2      C-13-H3C(O)CH3
  477762.6604  0.0163 -6.3201 3  376.4526600  595161404372413 2    371918 2      C-13-H3C(O)CH3
  477777.7020  0.0244 -4.9789 3  543.3919712  595161404443015 2    433113 2      C-13-H3C(O)CH3
  477796.9684  0.0568 -6.4621 3  903.3373872  5951614045447 7 2    5348 6 2      C-13-H3C(O)CH3
  477800.9542  0.0080 -6.4660 3   93.6104156  5951614041914 6 3    1811 8 3      C-13-H3C(O)CH3
  477808.2651  0.0278 -5.2766 3  543.3723356  595161404443015 4    433113 4      C-13-H3C(O)CH3
  477865.2035  0.1045 -6.5818 3 1027.8761A00  595161404623230 0    613527 0      C-13-H3C(O)CH3
  477867.8206  0.0213 -4.9743 3  543.3997712  595161404443015 0    433112 0      C-13-H3C(O)CH3
  477868.2929  0.0241 -5.3187 3  543.3997356  595161404443015 3    433113 3      C-13-H3C(O)CH3
  477887.1050  0.0092 -5.5021 3   93.5870312  5951614041914 6 2    1811 8 2      C-13-H3C(O)CH3
  477888.1186  0.1039 -5.9649 3  764.8322856  595161404533023 1    523320 1      C-13-H3C(O)CH3
  477894.1010  0.0169 -4.9696 3  186.3066424  5951614042619 7 1    2518 8 1      C-13-H3C(O)CH3
  477971.7981  0.1046 -6.5799 3 1027.8841A00  595161404623230 1    613527 1      C-13-H3C(O)CH3
  477975.9653  0.1063 -6.5798 3 1027.8858A00  595161404623230 2    613527 2      C-13-H3C(O)CH3
  478009.8710  0.0248 -6.5804 3  348.5823552  5951614043429 6 1    3426 9 1      C-13-H3C(O)CH3
  478014.3068  0.0228 -4.9844 3  543.3802712  595161404443015 1    433113 1      C-13-H3C(O)CH3
  478036.7372  0.0170 -6.2619 3  398.9712616  595161404382513 0    382018 0      C-13-H3C(O)CH3
  478078.5495  0.0580 -6.5376 3  859.7873428  5951614045345 8 4    5246 6 4      C-13-H3C(O)CH3
  478105.7846  0.0204 -4.8339 3  796.1909A32  59516140464 856 0    64 857 0      C-13-H3C(O)CH3
  478105.7846  0.0204 -4.8339 3  796.1909A32  59516140464 956 0    64 757 0      C-13-H3C(O)CH3
  478112.8219  0.0363 -6.1321 3  796.1597A32  59516140464 856 1    64 757 1      C-13-H3C(O)CH3
  478112.8219  0.0363 -4.8505 3  796.1597A32  59516140464 956 1    64 757 1      C-13-H3C(O)CH3
  478112.8219  0.0363 -6.1321 3  796.1597A32  59516140464 956 1    64 857 1      C-13-H3C(O)CH3
  478112.8219  0.0363 -4.8505 3  796.1597A32  59516140464 856 1    64 857 1      C-13-H3C(O)CH3
  478113.0445  0.0361 -4.8285 3  796.1595A32  59516140464 856 2    64 857 2      C-13-H3C(O)CH3
  478113.0445  0.0361 -4.8285 3  796.1595A32  59516140464 956 2    64 757 2      C-13-H3C(O)CH3
  478119.8179  0.0279 -5.5828 3  796.1282516  59516140464 956 4    64 857 4      C-13-H3C(O)CH3
  478119.8179  0.0279 -5.3176 3  796.1282516  59516140464 956 4    64 757 4      C-13-H3C(O)CH3
  478119.8179  0.0279 -5.3176 3  796.1282516  59516140464 856 4    64 857 4      C-13-H3C(O)CH3
  478119.8179  0.0279 -5.5828 3  796.1282516  59516140464 856 4    64 757 4      C-13-H3C(O)CH3
  478120.0875  0.0278 -5.4060 3  796.1282516  59516140464 856 3    64 757 3      C-13-H3C(O)CH3
  478120.0875  0.0278 -5.4060 3  796.1282516  59516140464 956 3    64 857 3      C-13-H3C(O)CH3
  478120.0875  0.0278 -5.4560 3  796.1282516  59516140464 856 3    64 857 3      C-13-H3C(O)CH3
  478120.0875  0.0278 -5.4560 3  796.1282516  59516140464 956 3    64 757 3      C-13-H3C(O)CH3
  478124.6518  0.0195 -4.9787 3  543.4256712  595161404443014 2    433112 2      C-13-H3C(O)CH3
  478132.4852  0.0407 -6.2354 3  859.7702856  5951614045345 8 1    5246 6 1      C-13-H3C(O)CH3
  478133.1809  0.0170 -5.8767 3  547.3710728  595161404452620 0    452323 0      C-13-H3C(O)CH3
  478153.8206  0.0214 -4.9845 3  543.4074712  595161404443014 1    433112 1      C-13-H3C(O)CH3
  478159.3527  0.0215 -4.9737 3  543.3994712  595161404443014 0    433113 0      C-13-H3C(O)CH3
  478161.2495  0.1463 -6.5179 3  872.0085460  595161404573127 4    563224 4      C-13-H3C(O)CH3
  478165.4004  0.1465 -6.5179 3  872.0083460  595161404573127 3    563224 3      C-13-H3C(O)CH3
  478166.3130  0.0234 -5.8764 3  547.3498728  595161404452620 2    452323 2      C-13-H3C(O)CH3
  478167.1009  0.0237 -6.5838 3  348.5958552  5951614043429 6 2    3426 9 2      C-13-H3C(O)CH3
  478167.7562  0.0250 -6.5793 3  348.6011552  5951614043429 5 2    3426 8 2      C-13-H3C(O)CH3
  478167.9255  0.1096 -5.8517 3 1476.5453C88  595161404802357 1    802258 1      C-13-H3C(O)CH3
  478167.9255  0.1096 -5.8517 3 1476.5453C88  595161404802457 1    802358 1      C-13-H3C(O)CH3
  478170.9875  0.1051 -5.8371 3 1476.5245C88  595161404802357 0    802258 0      C-13-H3C(O)CH3
  478170.9875  0.1051 -5.8371 3 1476.5245C88  595161404802457 0    802358 0      C-13-H3C(O)CH3
  478172.3949  0.0876 -6.1165 3 1476.5680644  595161404802357 3    802358 3      C-13-H3C(O)CH3
  478172.3949  0.0876 -6.1165 3 1476.5680644  595161404802457 3    802258 3      C-13-H3C(O)CH3
  478172.4438  0.0876 -6.4729 3 1476.5680644  595161404802357 4    802258 4      C-13-H3C(O)CH3
  478172.4438  0.0876 -6.3630 3 1476.5680644  595161404802357 4    802358 4      C-13-H3C(O)CH3
  478172.4438  0.0876 -6.4729 3 1476.5680644  595161404802457 4    802358 4      C-13-H3C(O)CH3
  478172.4438  0.0876 -6.3630 3 1476.5680644  595161404802457 4    802258 4      C-13-H3C(O)CH3
  478173.8055  0.0175 -6.2631 3  398.9478616  595161404382513 1    382018 1      C-13-H3C(O)CH3
  478174.4833  0.0200 -5.3182 3  543.4061356  595161404443014 3    433112 3      C-13-H3C(O)CH3
  478175.4066  0.1113 -6.0236 3 1476.5471C88  595161404802457 2    802358 2      C-13-H3C(O)CH3
  478175.4066  0.1113 -6.2268 3 1476.5471C88  595161404802457 2    802258 2      C-13-H3C(O)CH3
  478175.4066  0.1113 -6.0236 3 1476.5471C88  595161404802357 2    802258 2      C-13-H3C(O)CH3
  478175.4066  0.1113 -6.2268 3 1476.5471C88  595161404802357 2    802358 2      C-13-H3C(O)CH3
  478217.4371  0.0187 -5.8760 3  547.3524728  595161404452620 1    452323 1      C-13-H3C(O)CH3
  478235.4990  0.0190 -5.2765 3  543.4334356  595161404443014 4    433112 4      C-13-H3C(O)CH3
  478240.9061  0.0104 -5.7275 3   78.7361280  5951614041715 2 0    1612 5 0      C-13-H3C(O)CH3
  478250.0217  0.0247 -6.1767 3  547.3311364  595161404452620 4    452323 4      C-13-H3C(O)CH3
  478252.7431  0.0244 -6.1767 3  547.3311364  595161404452620 3    452323 3      C-13-H3C(O)CH3
  478274.7947  0.0532 -6.0193 3  679.5201792  595161404493416 0    493119 0      C-13-H3C(O)CH3
  478279.8845  0.0539 -6.2656 3  679.5211792  595161404493416 1    493119 1      C-13-H3C(O)CH3
  478293.9228  0.0029 -3.9439 3  377.7656356 -59516140444 638 4    43 637 4      C-13-H3C(O)CH3
  478293.9228  0.0028 -4.6837 3  377.7655356 -59516140444 638 3    43 737 3      C-13-H3C(O)CH3
  478293.9228  0.0029 -4.0078 3  377.7656356 -59516140444 738 4    43 637 4      C-13-H3C(O)CH3
  478293.9228  0.0028 -3.7183 3  377.7655356 -59516140444 638 3    43 637 3      C-13-H3C(O)CH3
  478293.9228  0.0029 -3.9439 3  377.7656356 -59516140444 738 4    43 737 4      C-13-H3C(O)CH3
  478293.9228  0.0028 -3.7183 3  377.7655356 -59516140444 738 3    43 737 3      C-13-H3C(O)CH3
  478293.9228  0.0029 -4.0078 3  377.7656356 -59516140444 638 4    43 737 4      C-13-H3C(O)CH3
  478293.9228  0.0028 -4.6837 3  377.7655356 -59516140444 738 3    43 637 3      C-13-H3C(O)CH3
  478307.7281  0.0461 -6.2360 3  859.7513856  5951614045345 9 2    5246 6 2      C-13-H3C(O)CH3
  478317.9688  0.0578 -6.5378 3  859.7690428  5951614045345 9 3    5246 7 3      C-13-H3C(O)CH3
  478319.6365  0.1161 -6.0682 3  866.8349904  595161404563522 0    563225 0      C-13-H3C(O)CH3
  478328.8813  0.0034 -3.8267 3  377.7790712  59516140444 638 1    43 737 1      C-13-H3C(O)CH3
  478328.8813  0.0034 -3.5607 3  377.7790712  59516140444 738 1    43 737 1      C-13-H3C(O)CH3
  478328.9259  0.0034 -3.5607 3  377.7790712 -59516140444 638 1    43 637 1      C-13-H3C(O)CH3
  478328.9259  0.0034 -3.8267 3  377.7790712 -59516140444 738 1    43 637 1      C-13-H3C(O)CH3
  478329.4066  0.0034 -3.3752 3  377.7785712  59516140444 738 2    43 637 2      C-13-H3C(O)CH3
  478329.4066  0.0034 -3.3752 3  377.7785712  59516140444 638 2    43 737 2      C-13-H3C(O)CH3
  478329.5024  0.0034 -5.5938 3  377.7785712 -59516140444 738 2    43 737 2      C-13-H3C(O)CH3
  478329.5024  0.0034 -5.5938 3  377.7785712 -59516140444 638 2    43 637 2      C-13-H3C(O)CH3
  478361.9153  0.0398 -6.2348 3  859.7341856  5951614045345 9 0    5246 6 0      C-13-H3C(O)CH3
  478361.9153  0.0398 -6.2348 3  859.7341856  5951614045345 8 0    5246 7 0      C-13-H3C(O)CH3
  478364.2246  0.0027 -3.5829 3  377.7920712 -59516140444 638 0    43 637 0      C-13-H3C(O)CH3
  478364.2246  0.0027 -3.7885 3  377.7920712 -59516140444 738 0    43 637 0      C-13-H3C(O)CH3
  478364.2745  0.0027 -3.5829 3  377.7920712  59516140444 738 0    43 737 0      C-13-H3C(O)CH3
  478364.2745  0.0027 -3.7885 3  377.7920712  59516140444 638 0    43 737 0      C-13-H3C(O)CH3
  478367.6922  0.0609 -6.2937 3  543.3997356  595161404443014 3    433113 3      C-13-H3C(O)CH3
  478370.7732  0.0443 -6.2356 3  859.7519856  5951614045345 9 1    5246 7 1      C-13-H3C(O)CH3
  478408.6174  0.0077 -5.4177 3   93.6104156  5951614041914 5 3    1811 8 3      C-13-H3C(O)CH3
  478435.8181  0.0521 -6.5369 3  859.7805428  5951614045345 8 3    5246 6 3      C-13-H3C(O)CH3
  478453.2562  0.2340 -6.2480 3  828.0510888  595161404553223 0    543520 0      C-13-H3C(O)CH3
  478459.7638  0.1189 -5.9596 3  764.8229856  595161404533023 0    523320 0      C-13-H3C(O)CH3
  478473.7465  0.0201 -6.2719 3  398.9420616  595161404382513 2    382018 2      C-13-H3C(O)CH3
  478490.1113  0.0646 -6.2575 3  679.5220792  595161404493416 2    493119 2      C-13-H3C(O)CH3
  478491.7155  0.0248 -6.1010 3  757.5465508  59516140463 756 4    63 757 4      C-13-H3C(O)CH3
  478491.7155  0.0248 -6.1010 3  757.5465508  59516140463 856 4    63 657 4      C-13-H3C(O)CH3
  478491.7155  0.0248 -5.1500 3  757.5465508  59516140463 856 4    63 757 4      C-13-H3C(O)CH3
  478491.7155  0.0248 -5.1500 3  757.5465508  59516140463 756 4    63 657 4      C-13-H3C(O)CH3
  478492.1171  0.0248 -5.1118 3  757.5466508  59516140463 856 3    63 757 3      C-13-H3C(O)CH3
  478492.1171  0.0248 -5.1118 3  757.5466508  59516140463 756 3    63 657 3      C-13-H3C(O)CH3
  478523.2870  0.0254 -6.5784 3  348.5838552  5951614043429 5 1    3426 8 1      C-13-H3C(O)CH3
  478544.4602  0.0248 -6.5822 3  348.6193552  5951614043429 5 0    3426 8 0      C-13-H3C(O)CH3
  478545.5261  0.0374 -5.3606 3  757.5761A16  59516140463 756 1    63 657 1      C-13-H3C(O)CH3
  478545.5261  0.0374 -4.9436 3  757.5761A16  59516140463 756 1    63 757 1      C-13-H3C(O)CH3
  478545.5261  0.0374 -5.3606 3  757.5761A16  59516140463 856 1    63 757 1      C-13-H3C(O)CH3
  478545.5261  0.0374 -4.9436 3  757.5761A16  59516140463 856 1    63 657 1      C-13-H3C(O)CH3
  478545.5353  0.0248 -6.5822 3  348.6192552  5951614043429 6 0    3426 9 0      C-13-H3C(O)CH3
  478546.1288  0.0373 -5.1934 3  757.5758A16  59516140463 756 2    63 657 2      C-13-H3C(O)CH3
  478546.1288  0.0373 -5.0296 3  757.5758A16  59516140463 756 2    63 757 2      C-13-H3C(O)CH3
  478546.1288  0.0373 -5.1934 3  757.5758A16  59516140463 856 2    63 757 2      C-13-H3C(O)CH3
  478546.1288  0.0373 -5.0296 3  757.5758A16  59516140463 856 2    63 657 2      C-13-H3C(O)CH3
  478552.5513  0.0733 -6.5317 3  679.5204396  595161404493416 4    493119 4      C-13-H3C(O)CH3
  478553.9612  0.0802 -6.3501 3  934.2367952  595161404593128 0    583425 0      C-13-H3C(O)CH3
  478557.6259  0.0180 -6.5679 3  398.9185308  595161404382513 3    382018 3      C-13-H3C(O)CH3
  478599.4757  0.0208 -4.8242 3  757.6053A16  59516140463 756 0    63 757 0      C-13-H3C(O)CH3
  478599.4757  0.0208 -6.1210 3  757.6053A16  59516140463 856 0    63 757 0      C-13-H3C(O)CH3
  478599.4757  0.0208 -6.1210 3  757.6053A16  59516140463 756 0    63 657 0      C-13-H3C(O)CH3
  478599.4757  0.0208 -4.8242 3  757.6053A16  59516140463 856 0    63 657 0      C-13-H3C(O)CH3
  478620.0567  0.0812 -6.3484 3  934.2421952  595161404593128 1    583425 1      C-13-H3C(O)CH3
  478626.3977  0.0097 -6.4455 3   58.2945264  59516140416 9 7 2    15 610 2      C-13-H3C(O)CH3
  478641.0521  0.0737 -6.3479 3  934.2425952  595161404593128 2    583425 2      C-13-H3C(O)CH3
  478650.8279  0.0219 -6.5791 3  398.9185308  595161404382513 4    382018 4      C-13-H3C(O)CH3
  478664.0103  0.0431 -6.2352 3  859.7444856  5951614045345 8 2    5246 7 2      C-13-H3C(O)CH3
  478674.1379  0.0567 -6.5371 3  859.7622428  5951614045345 9 4    5246 7 4      C-13-H3C(O)CH3
  478690.7364  0.1052 -6.0689 3  866.8373904  595161404563522 1    563225 1      C-13-H3C(O)CH3
  478710.4322  0.0951 -6.0691 3  866.8371904  595161404563522 2    563225 2      C-13-H3C(O)CH3
  478757.5285  0.0264 -5.7244 3  186.2754212  5951614042619 7 4    2518 8 4      C-13-H3C(O)CH3
  478800.2564  0.0095 -6.4475 3   58.2956264  59516140416 9 7 1    15 610 1      C-13-H3C(O)CH3
  478837.2662  0.0229 -6.1518 3  719.5530500  59516140462 756 4    62 657 4      C-13-H3C(O)CH3
  478837.2662  0.0229 -5.1280 3  719.5530500  59516140462 756 4    62 557 4      C-13-H3C(O)CH3
  478837.2662  0.0229 -6.1518 3  719.5530500  59516140462 656 4    62 557 4      C-13-H3C(O)CH3
  478837.2662  0.0229 -5.1280 3  719.5530500  59516140462 656 4    62 657 4      C-13-H3C(O)CH3
  478837.7800  0.0227 -5.7097 3  719.5530500  59516140462 756 3    62 557 3      C-13-H3C(O)CH3
  478837.7800  0.0227 -5.7097 3  719.5530500  59516140462 656 3    62 657 3      C-13-H3C(O)CH3
  478837.7800  0.0227 -5.2075 3  719.5530500  59516140462 756 3    62 657 3      C-13-H3C(O)CH3
  478837.7800  0.0227 -5.2075 3  719.5530500  59516140462 656 3    62 557 3      C-13-H3C(O)CH3
  478852.9898  0.1038 -6.2063 3 1428.6587C72  595161404792357 0    792158 0      C-13-H3C(O)CH3
  478852.9898  0.1038 -6.2063 3 1428.6587C72  595161404792257 0    792258 0      C-13-H3C(O)CH3
  478852.9898  0.1038 -5.9057 3 1428.6587C72  595161404792357 0    792258 0      C-13-H3C(O)CH3
  478852.9898  0.1038 -5.9057 3 1428.6587C72  595161404792257 0    792158 0      C-13-H3C(O)CH3
  478864.1475  0.1130 -6.5304 3 1428.6790C72  595161404792357 1    792258 1      C-13-H3C(O)CH3
  478864.1475  0.1130 -5.8042 3 1428.6790C72  595161404792357 1    792158 1      C-13-H3C(O)CH3
  478864.1475  0.1130 -6.5304 3 1428.6790C72  595161404792257 1    792158 1      C-13-H3C(O)CH3
  478864.1475  0.1130 -5.8042 3 1428.6790C72  595161404792257 1    792258 1      C-13-H3C(O)CH3
  478871.5774  0.1143 -5.7740 3 1428.6803C72  595161404792257 2    792258 2      C-13-H3C(O)CH3
  478871.5774  0.1143 -5.7740 3 1428.6803C72  595161404792357 2    792158 2      C-13-H3C(O)CH3
  478882.7995  0.0847 -6.0661 3 1428.7006636  595161404792257 3    792258 3      C-13-H3C(O)CH3
  478882.7995  0.0847 -6.0661 3 1428.7006636  595161404792357 3    792158 3      C-13-H3C(O)CH3
  478882.8736  0.0847 -6.0984 3 1428.7007636  595161404792257 4    792258 4      C-13-H3C(O)CH3
  478882.8736  0.0847 -6.0984 3 1428.7007636  595161404792357 4    792158 4      C-13-H3C(O)CH3
  478914.4544  0.0094 -6.4420 3   58.2518264  59516140416 9 7 0    15 610 0      C-13-H3C(O)CH3
  478968.7243  0.0364 -4.7909 3  719.5777A00  59516140462 756 1    62 657 1      C-13-H3C(O)CH3
  478968.7243  0.0364 -4.7909 3  719.5777A00  59516140462 656 1    62 557 1      C-13-H3C(O)CH3
  478969.6973  0.0361 -5.8117 3  719.5774A00  59516140462 656 2    62 557 2      C-13-H3C(O)CH3
  478969.6973  0.0361 -4.8305 3  719.5774A00  59516140462 656 2    62 657 2      C-13-H3C(O)CH3
  478969.6973  0.0361 -4.8305 3  719.5774A00  59516140462 756 2    62 557 2      C-13-H3C(O)CH3
  478969.6973  0.0361 -5.8117 3  719.5774A00  59516140462 756 2    62 657 2      C-13-H3C(O)CH3
  479035.6792  0.0561 -6.3718 3  866.8395452  595161404563522 4    563225 4      C-13-H3C(O)CH3
  479092.4375  0.0087 -6.4862 3  256.2947260  595161404321418 4    321121 4      C-13-H3C(O)CH3
  479092.6970  0.0080 -6.4863 3  256.2947260  595161404321418 3    321121 3      C-13-H3C(O)CH3
  479094.3035  0.0087 -6.4862 3  256.2947260  595161404321518 4    321221 4      C-13-H3C(O)CH3
  479094.5710  0.0080 -6.4862 3  256.2947260  595161404321518 3    321221 3      C-13-H3C(O)CH3
  479100.4819  0.0210 -5.2183 3  719.6020A00  59516140462 756 0    62 657 0      C-13-H3C(O)CH3
  479100.4819  0.0210 -4.9882 3  719.6020A00  59516140462 756 0    62 557 0      C-13-H3C(O)CH3
  479100.4819  0.0210 -4.9882 3  719.6020A00  59516140462 656 0    62 657 0      C-13-H3C(O)CH3
  479100.4819  0.0210 -5.2183 3  719.6020A00  59516140462 656 0    62 557 0      C-13-H3C(O)CH3
  479133.3813  0.0771 -6.3699 3  866.8395452  595161404563522 3    563225 3      C-13-H3C(O)CH3
  479155.5532  0.0232 -5.3264 3  682.1488492  59516140461 656 4    61 557 4      C-13-H3C(O)CH3
  479155.5532  0.0232 -5.4596 3  682.1488492  59516140461 656 4    61 457 4      C-13-H3C(O)CH3
  479155.5532  0.0232 -5.4596 3  682.1488492  59516140461 556 4    61 557 4      C-13-H3C(O)CH3
  479155.5532  0.0232 -5.3264 3  682.1488492  59516140461 556 4    61 457 4      C-13-H3C(O)CH3
  479156.1229  0.0228 -5.6156 3  682.1488492  59516140461 656 3    61 557 3      C-13-H3C(O)CH3
  479156.1229  0.0228 -5.2393 3  682.1488492  59516140461 656 3    61 457 3      C-13-H3C(O)CH3
  479156.1229  0.0228 -5.6156 3  682.1488492  59516140461 556 3    61 457 3      C-13-H3C(O)CH3
  479156.1229  0.0228 -5.2393 3  682.1488492  59516140461 556 3    61 557 3      C-13-H3C(O)CH3
  479197.3372  0.0079 -6.1852 3  256.3108520  595161404321418 2    321121 2      C-13-H3C(O)CH3
  479199.2244  0.0079 -6.1852 3  256.3108520  595161404321518 2    321221 2      C-13-H3C(O)CH3
  479213.4215  0.0694 -6.3841 3  679.5211792  595161404493415 1    493119 1      C-13-H3C(O)CH3
  479234.1574  0.0028 -3.9231 3  312.2531284  595161404351619 4    341718 4      C-13-H3C(O)CH3
  479234.3293  0.0028 -3.9231 3  312.2531284  595161404351619 3    341718 3      C-13-H3C(O)CH3
  479237.1041  0.0080 -6.1841 3  256.3126520  595161404321418 1    321121 1      C-13-H3C(O)CH3
  479238.9071  0.0080 -6.1841 3  256.3126520  595161404321518 1    321221 1      C-13-H3C(O)CH3
  479255.7240  0.0028 -3.9230 3  312.2525284  595161404351719 4    341618 4      C-13-H3C(O)CH3
  479255.9628  0.0028 -3.9230 3  312.2525284  595161404351719 3    341618 3      C-13-H3C(O)CH3
  479259.6343  0.0030 -3.6221 3  312.2797568 -595161404351619 1    341718 1      C-13-H3C(O)CH3
  479271.5338  0.0030 -3.6222 3  312.2759568 -595161404351619 2    341718 2      C-13-H3C(O)CH3
  479280.4039  0.0030 -3.6220 3  312.2791568 -595161404351719 1    341618 1      C-13-H3C(O)CH3
  479288.9113  0.0200 -5.0447 3  457.8560332  595161404412517 4    402614 4      C-13-H3C(O)CH3
  479293.2218  0.0030 -3.6221 3  312.2753568 -595161404351719 2    341618 2      C-13-H3C(O)CH3
  479296.6088  0.0026 -3.6222 3  312.3024568 -595161404351619 0    341718 0      C-13-H3C(O)CH3
  479317.5354  0.0026 -3.6221 3  312.3019568 -595161404351719 0    341618 0      C-13-H3C(O)CH3
  479318.3271  0.1377 -6.3143 3  738.4075420  595161404523022 3    522725 3      C-13-H3C(O)CH3
  479324.1135  0.0797 -6.5442 3  679.5258396  595161404493416 3    493119 3      C-13-H3C(O)CH3
  479325.7521  0.1384 -6.3143 3  738.4075420  595161404523022 4    522725 4      C-13-H3C(O)CH3
  479341.6073  0.0073 -6.1836 3  256.3288520  595161404321418 0    321121 0      C-13-H3C(O)CH3
  479343.4244  0.0073 -6.1836 3  256.3288520  595161404321518 0    321221 0      C-13-H3C(O)CH3
  479383.6431  0.0334 -5.9768 3  682.1652984  59516140461 656 1    61 557 1      C-13-H3C(O)CH3
  479383.6431  0.0334 -4.8143 3  682.1652984  59516140461 556 1    61 557 1      C-13-H3C(O)CH3
  479383.6431  0.0334 -5.9768 3  682.1652984  59516140461 556 1    61 457 1      C-13-H3C(O)CH3
  479383.6431  0.0334 -4.8143 3  682.1652984  59516140461 656 1    61 457 1      C-13-H3C(O)CH3
  479384.8554  0.0324 -4.8149 3  682.1648984  59516140461 656 2    61 457 2      C-13-H3C(O)CH3
  479384.8554  0.0324 -5.9667 3  682.1648984  59516140461 656 2    61 557 2      C-13-H3C(O)CH3
  479384.8554  0.0324 -4.8149 3  682.1648984  59516140461 556 2    61 557 2      C-13-H3C(O)CH3
  479384.8554  0.0324 -5.9667 3  682.1648984  59516140461 556 2    61 457 2      C-13-H3C(O)CH3
  479388.9135  0.0028 -4.4472 3  382.8266364  59516140445 640 4    44 639 4      C-13-H3C(O)CH3
  479388.9135  0.0028 -4.4472 3  382.8266364  59516140445 540 4    44 539 4      C-13-H3C(O)CH3
  479388.9366  0.0028 -3.6965 3  382.8265364 -59516140445 640 3    44 639 3      C-13-H3C(O)CH3
  479388.9366  0.0028 -3.7334 3  382.8266364 -59516140445 640 4    44 539 4      C-13-H3C(O)CH3
  479388.9366  0.0028 -3.7334 3  382.8266364 -59516140445 540 4    44 639 4      C-13-H3C(O)CH3
  479388.9366  0.0028 -3.6965 3  382.8265364 -59516140445 540 3    44 539 3      C-13-H3C(O)CH3
  479388.9531  0.0028 -4.7144 3  382.8265364  59516140445 640 3    44 539 3      C-13-H3C(O)CH3
  479388.9531  0.0028 -4.7144 3  382.8265364  59516140445 540 3    44 639 3      C-13-H3C(O)CH3
  479398.4573  0.0565 -5.7118 3  673.3717808  595161404502823 0    492920 0      C-13-H3C(O)CH3
  479415.8597  0.0361 -6.0265 3  817.4808840  5951614045243 9 1    5144 7 1      C-13-H3C(O)CH3
  479422.2054  0.0157 -4.7359 3  457.8700664  595161404412517 2    402614 2      C-13-H3C(O)CH3
  479424.6903  0.0034 -3.5238 3  382.8343728  59516140445 640 1    44 639 1      C-13-H3C(O)CH3
  479424.6903  0.0034 -3.8489 3  382.8343728  59516140445 540 1    44 639 1      C-13-H3C(O)CH3
  479424.8707  0.0034 -3.8489 3  382.8343728 -59516140445 640 1    44 539 1      C-13-H3C(O)CH3
  479424.8707  0.0033 -3.3886 3  382.8338728 -59516140445 640 2    44 539 2      C-13-H3C(O)CH3
  479424.8707  0.0034 -3.5238 3  382.8343728 -59516140445 540 1    44 539 1      C-13-H3C(O)CH3
  479424.8707  0.0033 -3.3886 3  382.8338728 -59516140445 540 2    44 639 2      C-13-H3C(O)CH3
  479425.0557  0.0033 -4.4922 3  382.8338728  59516140445 540 2    44 539 2      C-13-H3C(O)CH3
  479425.0557  0.0033 -4.4922 3  382.8338728  59516140445 640 2    44 639 2      C-13-H3C(O)CH3
  479427.6451  0.0141 -5.0321 3  457.8518332  595161404412517 3    402614 3      C-13-H3C(O)CH3
  479441.2960  0.0055 -5.0810 3   93.5666312  5951614041914 5 0    1811 8 0      C-13-H3C(O)CH3
  479442.2479  0.0030 -3.8790 3  323.0268292  595161404361521 4    351620 4      C-13-H3C(O)CH3
  479442.3805  0.0030 -3.8790 3  323.0269292  595161404361521 3    351620 3      C-13-H3C(O)CH3
  479442.6288  0.0030 -3.8790 3  323.0268292  595161404361621 4    351520 4      C-13-H3C(O)CH3
  479442.7634  0.0030 -3.8790 3  323.0269292  595161404361621 3    351520 3      C-13-H3C(O)CH3
  479445.6309  0.0271 -5.1048 3  645.3351484  59516140460 456 4    60 457 4      C-13-H3C(O)CH3
  479445.6309  0.0271 -5.1048 3  645.3351484  59516140460 556 4    60 357 4      C-13-H3C(O)CH3
  479446.1450  0.0265 -5.1043 3  645.3351484  59516140460 556 3    60 357 3      C-13-H3C(O)CH3
  479446.1450  0.0265 -5.1043 3  645.3351484  59516140460 456 3    60 457 3      C-13-H3C(O)CH3
  479460.7302  0.0026 -3.6535 3  382.8415728  59516140445 540 0    44 539 0      C-13-H3C(O)CH3
  479460.7302  0.0026 -3.6598 3  382.8415728  59516140445 640 0    44 539 0      C-13-H3C(O)CH3
  479460.7524  0.0026 -3.6598 3  382.8415728 -59516140445 540 0    44 639 0      C-13-H3C(O)CH3
  479460.7524  0.0026 -3.6535 3  382.8415728 -59516140445 640 0    44 639 0      C-13-H3C(O)CH3
  479464.9178  0.0032 -3.5780 3  323.0538584 -595161404361621 1    351520 1      C-13-H3C(O)CH3
  479464.9178  0.0032 -3.5780 3  323.0538584 -595161404361521 1    351620 1      C-13-H3C(O)CH3
  479472.5546  0.0032 -3.5780 3  323.0510584 -595161404361521 2    351620 2      C-13-H3C(O)CH3
  479473.0873  0.0032 -3.5780 3  323.0510584 -595161404361621 2    351520 2      C-13-H3C(O)CH3
  479486.7800  0.0028 -3.9859 3  300.7875276  595161404341717 3    331816 3      C-13-H3C(O)CH3
  479487.0285  0.0028 -3.9859 3  300.7875276  595161404341717 4    331816 4      C-13-H3C(O)CH3
  479494.8594  0.0027 -3.5781 3  323.0780584 -595161404361521 0    351620 0      C-13-H3C(O)CH3
  479495.3121  0.0027 -3.5781 3  323.0780584 -595161404361621 0    351520 0      C-13-H3C(O)CH3
  479502.7205  0.0481 -6.3284 3  817.4979420  5951614045243 9 4    5144 7 4      C-13-H3C(O)CH3
  479510.1150  0.1023 -6.3328 3 1381.3662C56  595161404782257 0    782058 0      C-13-H3C(O)CH3
  479510.1150  0.1023 -5.8080 3 1381.3662C56  595161404782157 0    782058 0      C-13-H3C(O)CH3
  479510.1150  0.1023 -6.1614 3 1381.3662C56  595161404782157 0    782158 0      C-13-H3C(O)CH3
  479510.1150  0.1023 -5.7494 3 1381.3662C56  595161404782257 0    782158 0      C-13-H3C(O)CH3
  479523.8629  0.0029 -3.6848 3  300.8133552 -595161404341717 1    331816 1      C-13-H3C(O)CH3
  479534.8347  0.0030 -3.6851 3  300.8081552 -595161404341717 2    331816 2      C-13-H3C(O)CH3
  479536.8009  0.1153 -5.6487 3 1381.3852C56  595161404782257 1    782158 1      C-13-H3C(O)CH3
  479536.8009  0.1153 -5.6487 3 1381.3852C56  595161404782157 1    782058 1      C-13-H3C(O)CH3
  479543.9022  0.1162 -5.6550 3 1381.3862C56  595161404782257 2    782058 2      C-13-H3C(O)CH3
  479543.9022  0.1162 -5.6550 3 1381.3862C56  595161404782157 2    782158 2      C-13-H3C(O)CH3
  479559.3557  0.0334 -6.0259 3  817.4483840  5951614045243 9 0    5144 8 0      C-13-H3C(O)CH3
  479559.3557  0.0334 -6.0259 3  817.4483840  595161404524310 0    5144 7 0      C-13-H3C(O)CH3
  479570.6667  0.0818 -5.9498 3 1381.4052628  595161404782157 3    782158 3      C-13-H3C(O)CH3
  479570.6667  0.0818 -5.9498 3 1381.4052628  595161404782257 3    782058 3      C-13-H3C(O)CH3
  479570.7670  0.0819 -6.0511 3 1381.4052628  595161404782257 4    782158 4      C-13-H3C(O)CH3
  479570.7670  0.0819 -6.0511 3 1381.4052628  595161404782157 4    782058 4      C-13-H3C(O)CH3
  479571.7831  0.0025 -3.6850 3  300.8339552 -595161404341717 0    331816 0      C-13-H3C(O)CH3
  479576.5621  0.0252 -5.4129 3  668.5519776  595161404483613 0    473710 0      C-13-H3C(O)CH3
  479576.6279  0.0252 -5.4129 3  668.5519776  595161404483612 0    473711 0      C-13-H3C(O)CH3
  479593.5705  0.0089 -5.3042 3   93.5893312  5951614041914 5 1    1811 8 1      C-13-H3C(O)CH3
  479612.0716  0.0210 -4.7849 3  682.1812984  59516140461 656 0    61 457 0      C-13-H3C(O)CH3
  479612.0716  0.0210 -4.7849 3  682.1812984  59516140461 556 0    61 557 0      C-13-H3C(O)CH3
  479612.5226  0.0097 -4.7323 3  457.8675664  595161404412517 1    402614 1      C-13-H3C(O)CH3
  479639.9597  0.0091 -5.2877 3   93.5870312  5951614041914 5 2    1811 8 2      C-13-H3C(O)CH3
  479644.9790  0.0386 -6.0268 3  817.4655840  595161404524310 2    5144 7 2      C-13-H3C(O)CH3
  479656.1252  0.0042 -4.6299 3  102.8792172  59516140421 912 3    20 813 3      C-13-H3C(O)CH3
  479656.5797  0.0059 -4.6299 3  102.8792172  59516140421 912 4    20 813 4      C-13-H3C(O)CH3
  479657.4044  0.0395 -6.0264 3  817.4601840  595161404524310 1    5144 8 1      C-13-H3C(O)CH3
  479661.5274  0.0974 -6.3979 3  679.5220792  595161404493415 2    493119 2      C-13-H3C(O)CH3
  479680.4112  0.0082 -4.7306 3  457.8834664  595161404412517 0    402614 0      C-13-H3C(O)CH3
  479680.9802  0.1399 -6.0140 3  738.4120840  595161404523022 2    522725 2      C-13-H3C(O)CH3
  479689.7558  0.0278 -5.4132 3  668.5739776  595161404483612 1    473710 1      C-13-H3C(O)CH3
  479692.3020  0.0042 -4.6299 3  102.8791172  595161404211012 3    20 713 3      C-13-H3C(O)CH3
  479692.4953  0.0058 -4.6299 3  102.8792172  595161404211012 4    20 713 4      C-13-H3C(O)CH3
  479706.5492  0.0354 -5.3205 3  609.1132476  59516140459 356 4    59 357 4      C-13-H3C(O)CH3
  479706.5492  0.0354 -5.6396 3  609.1132476  59516140459 356 4    59 257 4      C-13-H3C(O)CH3
  479706.5492  0.0354 -5.3205 3  609.1132476  59516140459 456 4    59 257 4      C-13-H3C(O)CH3
  479706.5492  0.0354 -5.6396 3  609.1132476  59516140459 456 4    59 357 4      C-13-H3C(O)CH3
  479706.8163  0.0347 -5.8221 3  609.1131476  59516140459 456 3    59 257 3      C-13-H3C(O)CH3
  479706.8163  0.0347 -5.2543 3  609.1131476  59516140459 356 3    59 257 3      C-13-H3C(O)CH3
  479706.8163  0.0347 -5.8221 3  609.1131476  59516140459 356 3    59 357 3      C-13-H3C(O)CH3
  479706.8163  0.0347 -5.2543 3  609.1131476  59516140459 456 3    59 357 3      C-13-H3C(O)CH3
  479714.6606  0.0259 -5.4124 3  668.5644776  595161404483613 2    473711 2      C-13-H3C(O)CH3
  479744.6074  0.0493 -6.3284 3  817.4772420  595161404524310 3    5144 8 3      C-13-H3C(O)CH3
  479747.4522  0.0255 -5.4129 3  668.5473776  595161404483613 1    473711 1      C-13-H3C(O)CH3
  479756.3540  0.0448 -6.3276 3  817.4932420  5951614045243 9 3    5144 7 3      C-13-H3C(O)CH3
  479766.6272  0.0040 -6.0931 3  196.2429220  5951614042718 9 3    2617 9 3      C-13-H3C(O)CH3
  479791.5344  0.0319 -6.5188 3  645.3391968  59516140460 456 1    60 357 1      C-13-H3C(O)CH3
  479791.5344  0.0319 -4.8107 3  645.3391968  59516140460 556 1    60 357 1      C-13-H3C(O)CH3
  479791.5344  0.0319 -4.8107 3  645.3391968  59516140460 456 1    60 457 1      C-13-H3C(O)CH3
  479791.5344  0.0319 -6.5188 3  645.3391968  59516140460 556 1    60 457 1      C-13-H3C(O)CH3
  479792.7024  0.0293 -4.8055 3  645.3387968  59516140460 556 2    60 457 2      C-13-H3C(O)CH3
  479792.7024  0.0293 -4.8055 3  645.3387968  59516140460 456 2    60 357 2      C-13-H3C(O)CH3
  479806.4020  0.0800 -6.0138 3  738.4131840  595161404523022 1    522725 1      C-13-H3C(O)CH3
  479808.9286  0.0203 -6.3096 3  403.0615616  595161404382612 0    382117 0      C-13-H3C(O)CH3
  479818.5829  0.0033 -5.0599 3  196.2451220  5951614042718 9 4    2617 9 4      C-13-H3C(O)CH3
  479826.6871  0.0312 -5.7138 3  668.5864388  595161404483612 3    473710 3      C-13-H3C(O)CH3
  479841.9412  0.0508 -5.7079 3  673.3488808  595161404502823 1    492920 1      C-13-H3C(O)CH3
  479880.1338  0.0277 -5.4129 3  668.5798776  595161404483612 2    473710 2      C-13-H3C(O)CH3
  479884.6761  0.0282 -5.7135 3  668.5597388  595161404483613 4    473711 4      C-13-H3C(O)CH3
  479895.3235  0.0035 -5.1203 3  196.2540440  5951614042718 9 1    2617 9 1      C-13-H3C(O)CH3
  479898.5121  0.0373 -6.0260 3  817.4607840  5951614045243 9 2    5144 8 2      C-13-H3C(O)CH3
  479903.2560  0.0043 -4.3281 3  102.8553344  59516140421 912 2    20 813 2      C-13-H3C(O)CH3
  479932.6231  0.0042 -4.3282 3  102.8568344  59516140421 912 1    20 813 1      C-13-H3C(O)CH3
  479937.0996  0.0476 -5.2795 3  573.4841468  59516140458 356 3    58 257 3      C-13-H3C(O)CH3
  479937.0996  0.0476 -5.9765 3  573.4841468  59516140458 256 3    58 257 3      C-13-H3C(O)CH3
  479937.0996  0.0476 -5.3391 3  573.4841468  59516140458 256 3    58 157 3      C-13-H3C(O)CH3
  479937.0996  0.0476 -6.4183 3  573.4841468  59516140458 356 3    58 157 3      C-13-H3C(O)CH3
  479937.3462  0.0252 -6.3580 3  403.0392616  595161404382612 1    382117 1      C-13-H3C(O)CH3
  479937.3823  0.0484 -5.2529 3  573.4841468  59516140458 256 4    58 257 4      C-13-H3C(O)CH3
  479937.3823  0.0484 -5.2529 3  573.4841468  59516140458 356 4    58 157 4      C-13-H3C(O)CH3
  479940.7429  0.0043 -4.3281 3  102.8553344  595161404211012 2    20 713 2      C-13-H3C(O)CH3
  479968.8886  0.0042 -4.3282 3  102.8568344  595161404211012 1    20 713 1      C-13-H3C(O)CH3
  479980.0386  0.0035 -5.6247 3  196.2486440  5951614042718 9 2    2617 9 2      C-13-H3C(O)CH3
  479981.8041  0.0060 -3.4589 3  183.1865196 -5951614042424 0 4    2323 0 4      C-13-H3C(O)CH3
  479989.3094  0.0946 -6.0404 3  833.9304888  595161404553422 0    553125 0      C-13-H3C(O)CH3
  479993.9729  0.0357 -5.7142 3  668.6018388  595161404483612 4    473710 4      C-13-H3C(O)CH3
  479997.2478  0.0493 -6.3276 3  817.4724420  595161404524310 4    5144 8 4      C-13-H3C(O)CH3
  480006.9615  0.0123 -5.6631 3   93.6091156  5951614041914 5 4    1811 8 4      C-13-H3C(O)CH3
  480014.3940  0.0031 -3.8443 3  333.1670300  595161404371423 4    361522 4      C-13-H3C(O)CH3
  480014.3988  0.0031 -3.8443 3  333.1670300  595161404371523 4    361422 4      C-13-H3C(O)CH3
  480014.5011  0.0031 -3.8443 3  333.1670300  595161404371423 3    361522 3      C-13-H3C(O)CH3
  480014.5059  0.0031 -3.8443 3  333.1670300  595161404371523 3    361422 3      C-13-H3C(O)CH3
  480035.7934  0.0033 -3.5433 3  333.1941600 -595161404371523 1    361422 1      C-13-H3C(O)CH3
  480035.7934  0.0033 -3.5433 3  333.1941600 -595161404371423 1    361522 1      C-13-H3C(O)CH3
  480041.1055  0.0033 -3.5434 3  333.1920600 -595161404371523 2    361422 2      C-13-H3C(O)CH3
  480041.1055  0.0033 -3.5434 3  333.1920600 -595161404371423 2    361522 2      C-13-H3C(O)CH3
  480050.0974  0.0304 -5.7139 3  668.5752388  595161404483613 3    473711 3      C-13-H3C(O)CH3
  480051.6250  0.1396 -6.1056 3  900.2697920  595161404573622 0    573325 0      C-13-H3C(O)CH3
  480062.3116  0.0028 -3.5434 3  333.2191600 -595161404371423 0    361522 0      C-13-H3C(O)CH3
  480062.3116  0.0028 -3.5434 3  333.2191600 -595161404371523 0    361422 0      C-13-H3C(O)CH3
  480094.0124  0.0975 -5.7053 3  673.3382808  595161404502823 2    492920 2      C-13-H3C(O)CH3
  480111.6451  0.0481 -5.4100 3  486.7001340  595161404422716 4    412813 4      C-13-H3C(O)CH3
  480135.9744  0.0659 -5.4934 3  538.4493460  59516140457 156 3    57 157 3      C-13-H3C(O)CH3
  480135.9744  0.0659 -5.4934 3  538.4493460  59516140457 256 3    57 057 3      C-13-H3C(O)CH3
  480137.2622  0.0665 -6.0382 3  538.4493460  59516140457 156 4    57 057 4      C-13-H3C(O)CH3
  480137.2622  0.0665 -5.6121 3  538.4493460  59516140457 156 4    57 157 4      C-13-H3C(O)CH3
  480137.2622  0.0665 -6.0382 3  538.4493460  59516140457 256 4    57 157 4      C-13-H3C(O)CH3
  480137.2622  0.0665 -5.6121 3  538.4493460  59516140457 256 4    57 057 4      C-13-H3C(O)CH3
  480137.5704  0.0229 -4.8844 3  645.3427968  59516140460 456 0    60 357 0      C-13-H3C(O)CH3
  480137.5704  0.0229 -4.8371 3  645.3427968  59516140460 556 0    60 457 0      C-13-H3C(O)CH3
  480137.5704  0.0229 -5.9040 3  645.3427968  59516140460 556 0    60 357 0      C-13-H3C(O)CH3
  480137.5704  0.0229 -5.5611 3  645.3427968  59516140460 456 0    60 457 0      C-13-H3C(O)CH3
  480143.5436  0.0998 -5.5706 3 1334.6482C40  595161404772057 0    772058 0      C-13-H3C(O)CH3
  480143.5436  0.0998 -5.5706 3 1334.6482C40  595161404772157 0    771958 0      C-13-H3C(O)CH3
  480162.4392  0.0852 -6.0146 3  738.4176840  595161404523022 0    522725 0      C-13-H3C(O)CH3
  480179.0672  0.0043 -4.3274 3  102.8330344  59516140421 912 0    20 813 0      C-13-H3C(O)CH3
  480186.6896  0.1154 -6.0473 3 1334.6651C40  595161404772157 1    772058 1      C-13-H3C(O)CH3
  480186.6896  0.1154 -5.7459 3 1334.6651C40  595161404772157 1    771958 1      C-13-H3C(O)CH3
  480186.6896  0.1154 -6.0473 3 1334.6651C40  595161404772057 1    771958 1      C-13-H3C(O)CH3
  480186.6896  0.1154 -5.7459 3 1334.6651C40  595161404772057 1    772058 1      C-13-H3C(O)CH3
  480193.2246  0.1161 -5.5701 3 1334.6658C40  595161404772057 2    772058 2      C-13-H3C(O)CH3
  480193.2246  0.1161 -5.5701 3 1334.6658C40  595161404772157 2    771958 2      C-13-H3C(O)CH3
  480193.6691  0.0400 -4.8507 3  609.0999952  59516140459 456 1    59 257 1      C-13-H3C(O)CH3
  480193.6691  0.0400 -4.8507 3  609.0999952  59516140459 356 1    59 357 1      C-13-H3C(O)CH3
  480194.3245  0.0359 -5.2366 3  609.0995952  59516140459 356 2    59 357 2      C-13-H3C(O)CH3
  480194.3245  0.0359 -5.0764 3  609.0995952  59516140459 456 2    59 357 2      C-13-H3C(O)CH3
  480194.3245  0.0359 -5.0764 3  609.0995952  59516140459 356 2    59 257 2      C-13-H3C(O)CH3
  480194.3245  0.0359 -5.2366 3  609.0995952  59516140459 456 2    59 257 2      C-13-H3C(O)CH3
  480199.3821  0.0051 -3.1576 3  183.2392392 -5951614042424 0 2    2323 0 2      C-13-H3C(O)CH3
  480213.0145  0.0054 -3.1576 3  183.2205392 -5951614042424 0 1    2323 0 1      C-13-H3C(O)CH3
  480214.0766  0.0056 -3.4584 3  183.1394196  5951614042424 1 3    2323 1 3      C-13-H3C(O)CH3
  480216.7464  0.0043 -4.3274 3  102.8330344  595161404211012 0    20 713 0      C-13-H3C(O)CH3
  480236.4636  0.0788 -5.9931 3 1334.6827620  595161404772057 3    771958 3      C-13-H3C(O)CH3
  480236.4636  0.0788 -5.8729 3 1334.6827620  595161404772157 3    772058 3      C-13-H3C(O)CH3
  480236.4636  0.0788 -6.4812 3 1334.6827620  595161404772157 3    771958 3      C-13-H3C(O)CH3
  480236.5902  0.0788 -5.8710 3 1334.6827620  595161404772157 4    771958 4      C-13-H3C(O)CH3
  480236.5902  0.0788 -5.8710 3 1334.6827620  595161404772057 4    772058 4      C-13-H3C(O)CH3
  480253.8027  0.0890 -6.0405 3  833.9314888  595161404553422 1    553125 1      C-13-H3C(O)CH3
  480269.1613  0.0718 -6.0407 3  833.9309888  595161404553422 2    553125 2      C-13-H3C(O)CH3
  480272.5884  0.0057 -3.4584 3  183.1564196 -5951614042424 0 3    2323 0 3      C-13-H3C(O)CH3
  480280.2632  0.0027 -3.9841 3  300.7670276  595161404341817 4    331716 4      C-13-H3C(O)CH3
  480281.5212  0.0028 -3.9841 3  300.7669276  595161404341817 3    331716 3      C-13-H3C(O)CH3
  480301.9405  0.0029 -3.6831 3  300.7932552 -595161404341817 1    331716 1      C-13-H3C(O)CH3
  480336.0092  0.0029 -3.6833 3  300.7874552 -595161404341817 2    331716 2      C-13-H3C(O)CH3
  480344.7360  0.0466 -6.5210 3  603.9429744  595161404463314 1    463016 1      C-13-H3C(O)CH3
  480356.3824  0.0025 -3.6833 3  300.8136552 -595161404341817 0    331716 0      C-13-H3C(O)CH3
  480397.2422  0.2175 -6.3884 3  796.1378436  595161404543123 3    533420 3      C-13-H3C(O)CH3
  480412.5407  0.1217 -6.5764 3 1027.7916A00  595161404623330 0    613427 0      C-13-H3C(O)CH3
  480431.1124  0.0049 -3.1573 3  183.2733392 -5951614042424 0 0    2323 1 0      C-13-H3C(O)CH3
  480431.1124  0.0049 -3.1573 3  183.2733392 -5951614042424 1 0    2323 0 0      C-13-H3C(O)CH3
  480431.5833  0.0049 -3.1571 3  183.1920392 -5951614042424 1 2    2323 1 2      C-13-H3C(O)CH3
  480493.4259  0.0027 -5.6306 3  387.3476372  59516140446 442 4    45 541 4      C-13-H3C(O)CH3
  480493.4259  0.0027 -5.6306 3  387.3476372  59516140446 542 4    45 441 4      C-13-H3C(O)CH3
  480493.4490  0.0027 -4.4372 3  387.3475372  59516140446 542 3    45 441 3      C-13-H3C(O)CH3
  480493.4490  0.0027 -3.7153 3  387.3475372  59516140446 442 3    45 441 3      C-13-H3C(O)CH3
  480493.4915  0.0027 -3.6444 3  387.3476372 -59516140446 442 4    45 441 4      C-13-H3C(O)CH3
  480493.4915  0.0027 -3.7153 3  387.3475372 -59516140446 542 3    45 541 3      C-13-H3C(O)CH3
  480493.4915  0.0027 -4.4372 3  387.3475372 -59516140446 442 3    45 541 3      C-13-H3C(O)CH3
  480493.4915  0.0027 -3.6444 3  387.3476372 -59516140446 542 4    45 541 4      C-13-H3C(O)CH3
  480504.0436  0.0051 -3.1570 3  183.1904392 -5951614042424 1 1    2323 1 1      C-13-H3C(O)CH3
  480504.2607  0.0060 -3.4578 3  183.1093196 -5951614042424 1 4    2323 1 4      C-13-H3C(O)CH3
  480506.9922  0.0487 -6.3421 3  833.9319444  595161404553422 4    553125 4      C-13-H3C(O)CH3
  480527.9294  0.0960 -6.0025 3  673.3157404  595161404502823 4    492920 4      C-13-H3C(O)CH3
  480528.7811  0.0034 -3.4707 3  387.3475744  59516140446 542 1    45 441 1      C-13-H3C(O)CH3
  480528.7811  0.0034 -3.9208 3  387.3475744  59516140446 442 1    45 441 1      C-13-H3C(O)CH3
  480528.8810  0.0034 -3.9208 3  387.3475744 -59516140446 542 1    45 541 1      C-13-H3C(O)CH3
  480528.8810  0.0033 -3.3507 3  387.3471744 -59516140446 542 2    45 441 2      C-13-H3C(O)CH3
  480528.8810  0.0033 -4.9077 3  387.3471744 -59516140446 442 2    45 441 2      C-13-H3C(O)CH3
  480528.8810  0.0034 -3.4707 3  387.3475744 -59516140446 442 1    45 541 1      C-13-H3C(O)CH3
  480529.0109  0.0033 -3.3507 3  387.3471744  59516140446 442 2    45 541 2      C-13-H3C(O)CH3
  480529.0109  0.0033 -4.9077 3  387.3471744  59516140446 542 2    45 541 2      C-13-H3C(O)CH3
  480531.5363  0.1225 -6.1074 3  900.2735920  595161404573622 1    573325 1      C-13-H3C(O)CH3
  480536.0948  0.0383 -5.0209 3  486.7019680  595161404422716 2    412813 2      C-13-H3C(O)CH3
  480543.2444  0.0966 -6.0024 3  673.3152404  595161404502823 3    492920 3      C-13-H3C(O)CH3
  480549.1622  0.1270 -6.1078 3  900.2736920  595161404573622 2    573325 2      C-13-H3C(O)CH3
  480564.1268  0.0026 -3.8175 3  387.3471744 -59516140446 442 0    45 441 0      C-13-H3C(O)CH3
  480564.1268  0.0026 -3.8175 3  387.3471744 -59516140446 542 0    45 541 0      C-13-H3C(O)CH3
  480564.2758  0.0026 -3.5141 3  387.3471744  59516140446 542 0    45 441 0      C-13-H3C(O)CH3
  480564.2758  0.0026 -3.5141 3  387.3471744  59516140446 442 0    45 541 0      C-13-H3C(O)CH3
  480567.0817  0.0558 -6.3415 3  833.9319444  595161404553422 3    553125 3      C-13-H3C(O)CH3
  480590.7877  0.0589 -5.1135 3  573.4478936  59516140458 356 2    58 157 2      C-13-H3C(O)CH3
  480590.7877  0.0589 -5.1135 3  573.4478936  59516140458 256 2    58 257 2      C-13-H3C(O)CH3
  480590.7877  0.0589 -5.4420 3  573.4478936  59516140458 256 2    58 157 2      C-13-H3C(O)CH3
  480590.7877  0.0589 -5.4420 3  573.4478936  59516140458 356 2    58 257 2      C-13-H3C(O)CH3
  480591.3297  0.0632 -5.0511 3  573.4482936  59516140458 256 1    58 257 1      C-13-H3C(O)CH3
  480591.3297  0.0632 -5.0511 3  573.4482936  59516140458 356 1    58 157 1      C-13-H3C(O)CH3
  480591.3297  0.0632 -5.6160 3  573.4482936  59516140458 256 1    58 157 1      C-13-H3C(O)CH3
  480591.3297  0.0632 -5.6160 3  573.4482936  59516140458 356 1    58 257 1      C-13-H3C(O)CH3
  480621.0324  0.1541 -6.5741 3 1027.7981A00  595161404623330 2    613427 2      C-13-H3C(O)CH3
  480633.9310  0.0433 -6.0472 3  603.9420744  595161404463313 0    463016 0      C-13-H3C(O)CH3
  480641.6335  0.1170 -6.5741 3 1027.7956A00  595161404623330 1    613427 1      C-13-H3C(O)CH3
  480671.2091  0.0358 -6.4438 3  403.0300616  595161404382612 2    382117 2      C-13-H3C(O)CH3
  480680.3261  0.0316 -4.8572 3  609.0863952  59516140459 456 0    59 257 0      C-13-H3C(O)CH3
  480680.3261  0.0316 -6.4844 3  609.0863952  59516140459 456 0    59 357 0      C-13-H3C(O)CH3
  480680.3261  0.0316 -4.8572 3  609.0863952  59516140459 356 0    59 357 0      C-13-H3C(O)CH3
  480680.3261  0.0316 -6.4844 3  609.0863952  59516140459 356 0    59 257 0      C-13-H3C(O)CH3
  480751.5706  0.1780 -6.4125 3  796.1261436  595161404543123 4    533420 4      C-13-H3C(O)CH3
  480754.5625  0.0959 -5.7979 3 1288.5055C24  595161404762057 0    761858 0      C-13-H3C(O)CH3
  480754.5625  0.0959 -5.7915 3 1288.5055C24  595161404761957 0    761858 0      C-13-H3C(O)CH3
  480754.5625  0.0959 -5.7979 3 1288.5055C24  595161404761957 0    761958 0      C-13-H3C(O)CH3
  480754.5625  0.0959 -5.7915 3 1288.5055C24  595161404762057 0    761958 0      C-13-H3C(O)CH3
  480784.3164  0.0032 -3.8155 3  342.7071308 -595161404381325 3    371424 3      C-13-H3C(O)CH3
  480784.3164  0.0032 -3.8155 3  342.7071308 -595161404381425 3    371324 3      C-13-H3C(O)CH3
  480784.3164  0.0032 -3.8155 3  342.7071308 -595161404381325 4    371424 4      C-13-H3C(O)CH3
  480784.3164  0.0032 -3.8155 3  342.7071308 -595161404381425 4    371324 4      C-13-H3C(O)CH3
  480805.6934  0.0034 -3.5145 3  342.7342616 -595161404381325 1    371424 1      C-13-H3C(O)CH3
  480805.6934  0.0034 -3.5145 3  342.7342616 -595161404381425 1    371324 1      C-13-H3C(O)CH3
  480809.4391  0.0035 -3.5145 3  342.7325616 -595161404381325 2    371424 2      C-13-H3C(O)CH3
  480809.4391  0.0035 -3.5145 3  342.7325616 -595161404381425 2    371324 2      C-13-H3C(O)CH3
  480814.6206  0.1131 -5.9095 3 1288.5195C24  595161404762057 1    761858 1      C-13-H3C(O)CH3
  480814.6206  0.1131 -5.9095 3 1288.5195C24  595161404761957 1    761958 1      C-13-H3C(O)CH3
  480814.6206  0.1131 -5.7038 3 1288.5195C24  595161404761957 1    761858 1      C-13-H3C(O)CH3
  480814.6206  0.1131 -5.7038 3 1288.5195C24  595161404762057 1    761958 1      C-13-H3C(O)CH3
  480820.4002  0.1136 -5.7148 3 1288.5200C24  595161404761957 2    761858 2      C-13-H3C(O)CH3
  480820.4002  0.1136 -5.8924 3 1288.5200C24  595161404761957 2    761958 2      C-13-H3C(O)CH3
  480820.4002  0.1136 -5.8924 3 1288.5200C24  595161404762057 2    761858 2      C-13-H3C(O)CH3
  480820.4002  0.1136 -5.7148 3 1288.5200C24  595161404762057 2    761958 2      C-13-H3C(O)CH3
  480830.6891  0.0029 -3.5146 3  342.7596616 -595161404381425 0    371324 0      C-13-H3C(O)CH3
  480830.6891  0.0029 -3.5146 3  342.7596616 -595161404381325 0    371424 0      C-13-H3C(O)CH3
  480880.5651  0.0754 -5.8337 3 1288.5340612  595161404761957 3    761958 3      C-13-H3C(O)CH3
  480880.5651  0.0754 -5.8337 3 1288.5340612  595161404762057 3    761858 3      C-13-H3C(O)CH3
  480880.7175  0.0754 -6.4518 3 1288.5341612  595161404762057 4    761858 4      C-13-H3C(O)CH3
  480880.7175  0.0754 -6.4518 3 1288.5341612  595161404761957 4    761958 4      C-13-H3C(O)CH3
  480880.7175  0.0754 -5.9025 3 1288.5341612  595161404762057 4    761958 4      C-13-H3C(O)CH3
  480880.7175  0.0754 -5.9025 3 1288.5341612  595161404761957 4    761858 4      C-13-H3C(O)CH3
  480897.6490  0.0343 -5.1817 3  486.6784340  595161404422716 3    412813 3      C-13-H3C(O)CH3
  480954.5812  0.0732 -6.4136 3  900.2774460  595161404573622 4    573325 4      C-13-H3C(O)CH3
  480983.1293  0.0967 -5.1839 3  538.3841920  59516140457 156 2    57 157 2      C-13-H3C(O)CH3
  480983.1293  0.0967 -5.1839 3  538.3841920  59516140457 256 2    57 057 2      C-13-H3C(O)CH3
  480985.8024  0.1007 -5.1720 3  538.3844920  59516140457 156 1    57 157 1      C-13-H3C(O)CH3
  480985.8024  0.1007 -5.1720 3  538.3844920  59516140457 256 1    57 057 1      C-13-H3C(O)CH3
  481016.5950  0.2057 -6.5810 3 1863.9174E16  595161404883058 1    883059 1      C-13-H3C(O)CH3
  481016.5950  0.2057 -6.5810 3 1863.9174E16  595161404883158 1    882959 1      C-13-H3C(O)CH3
  481019.9964  0.0240 -4.9347 3  486.6849680  595161404422716 1    412813 1      C-13-H3C(O)CH3
  481070.1292  0.2151 -6.5087 3 1863.9094E16  595161404883058 0    883059 0      C-13-H3C(O)CH3
  481070.1292  0.2151 -6.5087 3 1863.9094E16  595161404883158 0    882959 0      C-13-H3C(O)CH3
  481108.5768  0.1139 -6.4080 3  900.2775460  595161404573622 3    573325 3      C-13-H3C(O)CH3
  481221.8116  0.0474 -6.2241 3  603.9429744  595161404463313 1    463016 1      C-13-H3C(O)CH3
  481222.8827  0.0346 -5.8313 3  776.5093824  595161404514110 1    5042 8 1      C-13-H3C(O)CH3
  481243.6662  0.0508 -4.9450 3  573.4120936  59516140458 256 0    58 157 0      C-13-H3C(O)CH3
  481243.6662  0.0508 -4.9450 3  573.4120936  59516140458 356 0    58 257 0      C-13-H3C(O)CH3
  481251.2947  0.0149 -4.7747 3  486.6908680  595161404422716 0    412813 0      C-13-H3C(O)CH3
  481273.3500  0.0314 -5.8307 3  776.4800824  595161404514111 0    5042 8 0      C-13-H3C(O)CH3
  481273.3500  0.0314 -5.8307 3  776.4800824  595161404514110 0    5042 9 0      C-13-H3C(O)CH3
  481344.5790  0.0905 -5.8998 3 1242.9391C08  595161404751957 0    751758 0      C-13-H3C(O)CH3
  481344.5790  0.0905 -5.5943 3 1242.9391C08  595161404751957 0    751858 0      C-13-H3C(O)CH3
  481344.5790  0.0905 -5.5066 3 1242.9391C08  595161404751857 0    751758 0      C-13-H3C(O)CH3
  481344.5790  0.0905 -6.1613 3 1242.9391C08  595161404751857 0    751858 0      C-13-H3C(O)CH3
  481353.2382  0.0105 -5.9264 3  401.4223632  595161404392019 0    391722 0      C-13-H3C(O)CH3
  481363.4774  0.0127 -5.9267 3  401.3936632  595161404392019 2    391722 2      C-13-H3C(O)CH3
  481380.7133  0.2207 -6.0890 3  796.1179872  595161404543123 2    533420 2      C-13-H3C(O)CH3
  481421.4097  0.1081 -5.5435 3 1242.9496C08  595161404751957 1    751758 1      C-13-H3C(O)CH3
  481421.4097  0.1081 -6.0244 3 1242.9496C08  595161404751957 1    751858 1      C-13-H3C(O)CH3
  481421.4097  0.1081 -5.5435 3 1242.9496C08  595161404751857 1    751858 1      C-13-H3C(O)CH3
  481421.4097  0.1081 -6.0244 3 1242.9496C08  595161404751857 1    751758 1      C-13-H3C(O)CH3
  481423.4300  0.0428 -6.1330 3  776.5288412  595161404514110 4    5042 8 4      C-13-H3C(O)CH3
  481425.8924  0.0915 -6.0767 3  817.7166872  595161404543619 0    543322 0      C-13-H3C(O)CH3
  481426.3000  0.1085 -5.4531 3 1242.9498C08  595161404751957 2    751858 2      C-13-H3C(O)CH3
  481426.3000  0.1085 -6.0292 3 1242.9498C08  595161404751957 2    751758 2      C-13-H3C(O)CH3
  481426.3000  0.1085 -6.5481 3 1242.9498C08  595161404751857 2    751858 2      C-13-H3C(O)CH3
  481426.3000  0.1085 -5.5420 3 1242.9498C08  595161404751857 2    751758 2      C-13-H3C(O)CH3
  481427.0108  0.0116 -5.9260 3  401.3961632  595161404392019 1    391722 1      C-13-H3C(O)CH3
  481432.4737  0.0363 -5.8311 3  776.4871824  595161404514111 1    5042 9 1      C-13-H3C(O)CH3
  481437.4801  0.0134 -6.2271 3  401.3673316  595161404392019 3    391722 3      C-13-H3C(O)CH3
  481437.9533  0.0134 -6.2271 3  401.3673316  595161404392019 4    391722 4      C-13-H3C(O)CH3
  481472.1252  0.0341 -5.8314 3  776.4996824  595161404514110 2    5042 8 2      C-13-H3C(O)CH3
  481476.5800  0.0605 -6.5736 3  603.9427372  595161404463313 3    463016 3      C-13-H3C(O)CH3
  481491.0231  0.0264 -5.7394 3  486.6586340  595161404422716 3    412814 3      C-13-H3C(O)CH3
  481503.2503  0.0716 -6.2773 3 1242.9603604  595161404751957 3    751758 3      C-13-H3C(O)CH3
  481503.2503  0.0716 -5.8615 3 1242.9603604  595161404751857 3    751758 3      C-13-H3C(O)CH3
  481503.2503  0.0716 -5.8615 3 1242.9603604  595161404751957 3    751858 3      C-13-H3C(O)CH3
  481503.2503  0.0716 -6.2773 3 1242.9603604  595161404751857 3    751858 3      C-13-H3C(O)CH3
  481503.4265  0.0717 -5.7523 3 1242.9603604  595161404751857 4    751858 4      C-13-H3C(O)CH3
  481503.4265  0.0717 -5.7523 3 1242.9603604  595161404751957 4    751758 4      C-13-H3C(O)CH3
  481509.6896  0.0493 -6.1859 3  603.9503744  595161404463313 2    463016 2      C-13-H3C(O)CH3
  481524.3492  0.1484 -6.0857 3  796.1160872  595161404543123 1    533420 1      C-13-H3C(O)CH3
  481549.6039  0.0416 -6.1322 3  776.5241412  595161404514110 3    5042 8 3      C-13-H3C(O)CH3
  481581.9835  0.0105 -5.9260 3  401.4223632  595161404392119 0    391822 0      C-13-H3C(O)CH3
  481599.1901  0.0342 -5.8306 3  776.4948824  595161404514111 2    5042 9 2      C-13-H3C(O)CH3
  481601.1758  0.0125 -5.9264 3  401.3936632  595161404392119 2    391822 2      C-13-H3C(O)CH3
  481606.6631  0.0026 -5.3627 3  391.3303380  59516140447 344 4    46 343 4      C-13-H3C(O)CH3
  481606.6681  0.0026 -5.5375 3  391.3302380  59516140447 344 3    46 343 3      C-13-H3C(O)CH3
  481606.6681  0.0026 -3.6285 3  391.3302380  59516140447 444 3    46 343 3      C-13-H3C(O)CH3
  481606.6984  0.0026 -3.6312 3  391.3303380 -59516140447 344 4    46 443 4      C-13-H3C(O)CH3
  481606.6984  0.0026 -3.6285 3  391.3302380 -59516140447 344 3    46 443 3      C-13-H3C(O)CH3
  481606.6984  0.0026 -3.6237 3  391.3303380 -59516140447 444 4    46 343 4      C-13-H3C(O)CH3
  481606.6984  0.0026 -5.5375 3  391.3302380 -59516140447 444 3    46 443 3      C-13-H3C(O)CH3
  481632.4223  0.0436 -6.1327 3  776.5067412  595161404514111 3    5042 9 3      C-13-H3C(O)CH3
  481639.7126  0.0034 -5.0550 3  391.3199760  59516140447 344 1    46 343 1      C-13-H3C(O)CH3
  481639.7126  0.0034 -3.3302 3  391.3199760  59516140447 444 1    46 343 1      C-13-H3C(O)CH3
  481639.7633  0.0034 -5.0550 3  391.3199760 -59516140447 444 1    46 443 1      C-13-H3C(O)CH3
  481639.7633  0.0034 -3.5194 3  391.3194760 -59516140447 344 2    46 443 2      C-13-H3C(O)CH3
  481639.7633  0.0034 -3.7597 3  391.3194760 -59516140447 444 2    46 443 2      C-13-H3C(O)CH3
  481639.7633  0.0034 -3.3302 3  391.3199760 -59516140447 344 1    46 443 1      C-13-H3C(O)CH3
  481639.8315  0.0034 -3.5194 3  391.3194760  59516140447 444 2    46 343 2      C-13-H3C(O)CH3
  481639.8315  0.0034 -3.7597 3  391.3194760  59516140447 344 2    46 343 2      C-13-H3C(O)CH3
  481658.1403  0.0116 -5.9256 3  401.3961632  595161404392119 1    391822 1      C-13-H3C(O)CH3
  481669.3372  0.0032 -3.7906 3  351.6668316 -595161404391227 3    381326 3      C-13-H3C(O)CH3
  481669.3372  0.0033 -3.7906 3  351.6668316 -595161404391227 4    381326 4      C-13-H3C(O)CH3
  481669.3372  0.0032 -3.7907 3  351.6668316 -595161404391327 3    381226 3      C-13-H3C(O)CH3
  481669.3372  0.0033 -3.7906 3  351.6668316 -595161404391327 4    381226 4      C-13-H3C(O)CH3
  481672.7703  0.0026 -3.5144 3  391.3091760 -59516140447 344 0    46 443 0      C-13-H3C(O)CH3
  481672.7703  0.0026 -3.5144 3  391.3091760 -59516140447 444 0    46 343 0      C-13-H3C(O)CH3
  481672.8064  0.0026 -3.7683 3  391.3091760  59516140447 344 0    46 343 0      C-13-H3C(O)CH3
  481672.8064  0.0026 -3.7683 3  391.3091760  59516140447 444 0    46 443 0      C-13-H3C(O)CH3
  481677.7182  0.0131 -6.2268 3  401.3673316  595161404392119 3    391822 3      C-13-H3C(O)CH3
  481677.7241  0.0131 -6.2268 3  401.3673316  595161404392119 4    391822 4      C-13-H3C(O)CH3
  481691.3905  0.0035 -3.4900 3  351.6937632 -595161404391327 1    381226 1      C-13-H3C(O)CH3
  481691.3905  0.0035 -3.4900 3  351.6937632 -595161404391227 1    381326 1      C-13-H3C(O)CH3
  481691.4196  0.0035 -6.5680 3  351.6937632  595161404391227 1    381226 1      C-13-H3C(O)CH3
  481691.4196  0.0035 -6.5451 3  351.6937632  595161404391327 1    381326 1      C-13-H3C(O)CH3
  481693.2384  0.0041 -3.5475 3  185.5886204 -5951614042522 3 4    2421 3 4      C-13-H3C(O)CH3
  481694.1705  0.0035 -3.4896 3  351.6923632 -595161404391327 2    381226 2      C-13-H3C(O)CH3
  481694.1705  0.0035 -3.4896 3  351.6923632 -595161404391227 2    381326 2      C-13-H3C(O)CH3
  481716.1134  0.0030 -3.4904 3  351.7192632 -595161404391327 0    381226 0      C-13-H3C(O)CH3
  481716.1134  0.0030 -3.4898 3  351.7192632 -595161404391227 0    381326 0      C-13-H3C(O)CH3
  481716.1298  0.0030 -6.2511 3  351.7192632  595161404391327 0    381326 0      C-13-H3C(O)CH3
  481756.8595  0.0223 -5.1378 3  486.6612680  595161404422716 2    412814 2      C-13-H3C(O)CH3
  481758.2278  0.0439 -6.1320 3  776.5019412  595161404514111 4    5042 9 4      C-13-H3C(O)CH3
  481762.1272  0.0075 -4.0663 3  148.6894392  595161404241410 2    231311 2      C-13-H3C(O)CH3
  481789.1698  0.0871 -6.2292 3  817.7217872  595161404543619 1    543322 1      C-13-H3C(O)CH3
  481814.3047  0.0168 -5.2857 3  486.6584680  595161404422716 1    412814 1      C-13-H3C(O)CH3
  481830.8519  0.0822 -5.2933 3  538.3194920  59516140457 156 0    57 157 0      C-13-H3C(O)CH3
  481830.8519  0.0822 -5.7719 3  538.3194920  59516140457 156 0    57 057 0      C-13-H3C(O)CH3
  481830.8519  0.0822 -5.2933 3  538.3194920  59516140457 256 0    57 057 0      C-13-H3C(O)CH3
  481830.8519  0.0822 -5.7719 3  538.3194920  59516140457 256 0    57 157 0      C-13-H3C(O)CH3
  481840.1430  0.0072 -4.0659 3  148.6881392 -595161404241410 0    231311 0      C-13-H3C(O)CH3
  481861.8736  0.0036 -3.5472 3  185.5412204 -5951614042522 4 3    2421 4 3      C-13-H3C(O)CH3
  481886.4348  0.1094 -6.2500 3  817.7213872  595161404543619 2    543322 2      C-13-H3C(O)CH3
  481888.3394  0.0479 -6.4303 3  603.9582372  595161404463313 4    463016 4      C-13-H3C(O)CH3
  481891.0591  0.0034 -3.2460 3  185.6005408 -5951614042522 3 1    2421 3 1      C-13-H3C(O)CH3
  481892.7136  0.1758 -6.4192 3 1811.4797E00  595161404872958 1    872859 1      C-13-H3C(O)CH3
  481892.7136  0.1758 -6.4192 3 1811.4797E00  595161404873058 1    872959 1      C-13-H3C(O)CH3
  481893.2958  0.1679 -6.4272 3 1811.4837E00  595161404872958 2    872959 2      C-13-H3C(O)CH3
  481893.2958  0.1679 -6.4272 3 1811.4837E00  595161404873058 2    872859 2      C-13-H3C(O)CH3
  481915.1332  0.0836 -5.5085 3 1197.9498B92  595161404741857 0    741758 0      C-13-H3C(O)CH3
  481915.1332  0.0836 -5.8588 3 1197.9498B92  595161404741857 0    741658 0      C-13-H3C(O)CH3
  481915.1332  0.0836 -5.5085 3 1197.9498B92  595161404741757 0    741658 0      C-13-H3C(O)CH3
  481915.1332  0.0836 -5.8588 3 1197.9498B92  595161404741757 0    741758 0      C-13-H3C(O)CH3
  481923.8282  0.0035 -3.2459 3  185.6164408 -5951614042522 3 2    2421 3 2      C-13-H3C(O)CH3
  481924.9745  0.0038 -3.5469 3  185.5447204 -5951614042522 3 3    2421 3 3      C-13-H3C(O)CH3
  481939.0627  0.0088 -4.3684 3  148.6949196  595161404241410 3    231311 3      C-13-H3C(O)CH3
  481945.4952  0.1876 -6.4636 3 1811.4688E00  595161404873058 0    872859 0      C-13-H3C(O)CH3
  481945.4952  0.1876 -6.4636 3 1811.4688E00  595161404872958 0    872959 0      C-13-H3C(O)CH3
  481960.8129  0.0116 -4.3685 3  148.6948196  595161404241410 4    231311 4      C-13-H3C(O)CH3
  481970.2730  0.0086 -6.5639 3  237.0650252  595161404311318 4    311021 4      C-13-H3C(O)CH3
  481970.5941  0.0076 -6.5639 3  237.0650252  595161404311318 3    311021 3      C-13-H3C(O)CH3
  481970.8356  0.0086 -6.5639 3  237.0650252  595161404311418 4    311121 4      C-13-H3C(O)CH3
  481971.1597  0.0076 -6.5639 3  237.0650252  595161404311418 3    311121 3      C-13-H3C(O)CH3
  482007.8864  0.1006 -5.6622 3 1197.9561B92  595161404741757 1    741658 1      C-13-H3C(O)CH3
  482007.8864  0.1006 -5.6363 3 1197.9561B92  595161404741857 1    741658 1      C-13-H3C(O)CH3
  482007.8864  0.1006 -5.6622 3 1197.9561B92  595161404741857 1    741758 1      C-13-H3C(O)CH3
  482007.8864  0.1006 -5.6363 3 1197.9561B92  595161404741757 1    741758 1      C-13-H3C(O)CH3
  482008.1374  0.0246 -5.3450 3  486.6368340  595161404422716 4    412814 4      C-13-H3C(O)CH3
  482011.8132  0.1010 -5.8319 3 1197.9562B92  595161404741857 2    741658 2      C-13-H3C(O)CH3
  482011.8132  0.1010 -5.5208 3 1197.9562B92  595161404741757 2    741658 2      C-13-H3C(O)CH3
  482011.8132  0.1010 -5.8319 3 1197.9562B92  595161404741757 2    741758 2      C-13-H3C(O)CH3
  482011.8132  0.1010 -5.5208 3 1197.9562B92  595161404741857 2    741758 2      C-13-H3C(O)CH3
  482024.2485  0.0077 -4.0671 3  148.6936392  595161404241410 1    231311 1      C-13-H3C(O)CH3
  482091.3986  0.0031 -3.2456 3  185.5689408 -5951614042522 4 2    2421 4 2      C-13-H3C(O)CH3
  482092.8637  0.0036 -3.5466 3  185.4973204 -5951614042522 4 4    2421 4 4      C-13-H3C(O)CH3
  482104.6972  0.0675 -5.6643 3 1197.9625596  595161404741757 3    741758 3      C-13-H3C(O)CH3
  482104.6972  0.0675 -5.6637 3 1197.9625596  595161404741857 3    741658 3      C-13-H3C(O)CH3
  482104.8935  0.0676 -5.6890 3 1197.9625596  595161404741857 4    741758 4      C-13-H3C(O)CH3
  482104.8935  0.0676 -5.6890 3 1197.9625596  595161404741757 4    741658 4      C-13-H3C(O)CH3
  482121.3049  0.0031 -3.2454 3  185.6281408 -5951614042522 3 0    2421 4 0      C-13-H3C(O)CH3
  482121.3049  0.0031 -3.2454 3  185.6281408 -5951614042522 4 0    2421 3 0      C-13-H3C(O)CH3
  482121.8432  0.0031 -3.2454 3  185.5565408 -5951614042522 4 1    2421 4 1      C-13-H3C(O)CH3
  482123.8687  0.0076 -6.2628 3  237.0771504  595161404311318 2    311021 2      C-13-H3C(O)CH3
  482124.4397  0.0076 -6.2628 3  237.0771504  595161404311418 2    311121 2      C-13-H3C(O)CH3
  482159.7633  0.0077 -6.2616 3  237.0787504  595161404311318 1    311021 1      C-13-H3C(O)CH3
  482160.3068  0.0077 -6.2616 3  237.0787504  595161404311418 1    311121 1      C-13-H3C(O)CH3
  482312.7936  0.0071 -6.2609 3  237.0907504  595161404311318 0    311021 0      C-13-H3C(O)CH3
  482313.3428  0.0071 -6.2609 3  237.0907504  595161404311418 0    311121 0      C-13-H3C(O)CH3
  482318.3485  0.1700 -6.0743 3  796.1022872  595161404543123 0    533420 0      C-13-H3C(O)CH3
  482467.9112  0.0755 -5.2864 3 1153.5386B76  595161404731757 0    731558 0      C-13-H3C(O)CH3
  482467.9112  0.0755 -5.2801 3 1153.5386B76  595161404731657 0    731658 0      C-13-H3C(O)CH3
  482574.8999  0.0910 -5.4205 3 1153.5401B76  595161404731757 1    731658 1      C-13-H3C(O)CH3
  482574.8999  0.0910 -5.8354 3 1153.5401B76  595161404731657 1    731658 1      C-13-H3C(O)CH3
  482574.8999  0.0910 -5.4205 3 1153.5401B76  595161404731657 1    731558 1      C-13-H3C(O)CH3
  482574.8999  0.0910 -5.8354 3 1153.5401B76  595161404731757 1    731558 1      C-13-H3C(O)CH3
  482577.8505  0.0913 -5.6205 3 1153.5400B76  595161404731757 2    731658 2      C-13-H3C(O)CH3
  482577.8505  0.0913 -5.5434 3 1153.5400B76  595161404731757 2    731558 2      C-13-H3C(O)CH3
  482577.8505  0.0913 -5.5434 3 1153.5400B76  595161404731657 2    731658 2      C-13-H3C(O)CH3
  482577.8505  0.0913 -5.6205 3 1153.5400B76  595161404731657 2    731558 2      C-13-H3C(O)CH3
  482625.5807  0.0033 -3.9885 3  360.0586324 -595161404401129 4    391228 4      C-13-H3C(O)CH3
  482625.5807  0.0033 -4.1691 3  360.0586324 -595161404401229 4    391228 4      C-13-H3C(O)CH3
  482625.5807  0.0032 -4.7079 3  360.0586324 -595161404401129 3    391128 3      C-13-H3C(O)CH3
  482625.5807  0.0032 -4.7079 3  360.0586324 -595161404401229 3    391228 3      C-13-H3C(O)CH3
  482625.5867  0.0033 -3.7705 3  360.0586324  595161404401229 4    391128 4      C-13-H3C(O)CH3
  482625.5867  0.0033 -6.0792 3  360.0586324  595161404401129 4    391128 4      C-13-H3C(O)CH3
  482625.6710  0.0032 -3.8214 3  360.0586324  595161404401129 3    391228 3      C-13-H3C(O)CH3
  482625.6710  0.0032 -3.8214 3  360.0586324  595161404401229 3    391128 3      C-13-H3C(O)CH3
  482648.9382  0.0036 -3.8418 3  360.0849648 -595161404401129 1    391228 1      C-13-H3C(O)CH3
  482648.9382  0.0036 -3.8418 3  360.0849648 -595161404401229 1    391128 1      C-13-H3C(O)CH3
  482649.0039  0.0036 -3.7057 3  360.0849648  595161404401229 1    391228 1      C-13-H3C(O)CH3
  482649.0039  0.0036 -3.7057 3  360.0849648  595161404401129 1    391128 1      C-13-H3C(O)CH3
  482651.0542  0.0036 -4.4564 3  360.0838648 -595161404401129 2    391228 2      C-13-H3C(O)CH3
  482651.0542  0.0036 -4.4564 3  360.0838648 -595161404401229 2    391128 2      C-13-H3C(O)CH3
  482651.0921  0.0036 -3.5144 3  360.0838648  595161404401229 2    391228 2      C-13-H3C(O)CH3
  482651.0921  0.0036 -3.5144 3  360.0838648  595161404401129 2    391128 2      C-13-H3C(O)CH3
  482674.3447  0.0030 -3.5469 3  360.1101648 -595161404401229 0    391128 0      C-13-H3C(O)CH3
  482674.3447  0.0030 -3.5469 3  360.1101648 -595161404401129 0    391228 0      C-13-H3C(O)CH3
  482674.3913  0.0030 -4.2441 3  360.1101648  595161404401129 0    391128 0      C-13-H3C(O)CH3
  482674.3913  0.0030 -4.2441 3  360.1101648  595161404401229 0    391228 0      C-13-H3C(O)CH3
  482684.9787  0.0632 -5.5832 3 1153.5415588  595161404731757 3    731558 3      C-13-H3C(O)CH3
  482684.9787  0.0632 -5.5832 3 1153.5415588  595161404731657 3    731658 3      C-13-H3C(O)CH3
  482685.1891  0.0633 -5.6941 3 1153.5415588  595161404731657 4    731658 4      C-13-H3C(O)CH3
  482685.1891  0.0633 -6.2163 3 1153.5415588  595161404731657 4    731558 4      C-13-H3C(O)CH3
  482685.1891  0.0633 -6.2163 3 1153.5415588  595161404731757 4    731658 4      C-13-H3C(O)CH3
  482685.1891  0.0633 -5.6941 3 1153.5415588  595161404731757 4    731558 4      C-13-H3C(O)CH3
  482728.4000  0.0027 -3.6977 3  394.7762388 -59516140448 346 4    47 245 4      C-13-H3C(O)CH3
  482728.4000  0.0027 -4.3290 3  394.7762388 -59516140448 246 4    47 245 4      C-13-H3C(O)CH3
  482728.4000  0.0027 -3.6489 3  394.7761388 -59516140448 246 3    47 245 3      C-13-H3C(O)CH3
  482728.4000  0.0027 -3.6489 3  394.7761388 -59516140448 346 3    47 345 3      C-13-H3C(O)CH3
  482728.4192  0.0027 -4.6376 3  394.7761388  59516140448 246 3    47 345 3      C-13-H3C(O)CH3
  482728.4192  0.0027 -4.6376 3  394.7761388  59516140448 346 3    47 245 3      C-13-H3C(O)CH3
  482728.4298  0.0027 -3.6977 3  394.7762388  59516140448 246 4    47 345 4      C-13-H3C(O)CH3
  482728.4298  0.0027 -4.3290 3  394.7762388  59516140448 346 4    47 345 4      C-13-H3C(O)CH3
  482740.1502  0.1502 -6.3606 3 1759.6068D84  595161404862858 1    862859 1      C-13-H3C(O)CH3
  482740.1502  0.1502 -6.3606 3 1759.6068D84  595161404862958 1    862759 1      C-13-H3C(O)CH3
  482742.7326  0.1460 -6.4964 3 1759.6105D84  595161404862858 2    862859 2      C-13-H3C(O)CH3
  482742.7326  0.1460 -6.4964 3 1759.6105D84  595161404862958 2    862759 2      C-13-H3C(O)CH3
  482756.3142  0.0035 -3.3200 3  394.7520776 -59516140448 246 1    47 245 1      C-13-H3C(O)CH3
  482756.3142  0.0034 -3.4041 3  394.7516776 -59516140448 346 2    47 345 2      C-13-H3C(O)CH3
  482756.3142  0.0034 -3.9970 3  394.7516776 -59516140448 246 2    47 345 2      C-13-H3C(O)CH3
  482756.3142  0.0035 -3.3200 3  394.7520776 -59516140448 346 1    47 345 1      C-13-H3C(O)CH3
  482756.3928  0.0035 -4.7847 3  394.7520776  59516140448 246 1    47 345 1      C-13-H3C(O)CH3
  482756.3928  0.0035 -4.7847 3  394.7520776  59516140448 346 1    47 245 1      C-13-H3C(O)CH3
  482756.4376  0.0034 -3.9970 3  394.7516776  59516140448 346 2    47 245 2      C-13-H3C(O)CH3
  482756.4376  0.0034 -3.4041 3  394.7516776  59516140448 246 2    47 245 2      C-13-H3C(O)CH3
  482759.6167  0.0153 -6.4244 3  354.5348584  595161404362313 0    361818 0      C-13-H3C(O)CH3
  482784.2821  0.0027 -3.3156 3  394.7276776 -59516140448 246 0    47 245 0      C-13-H3C(O)CH3
  482784.2821  0.0027 -3.3156 3  394.7276776 -59516140448 346 0    47 345 0      C-13-H3C(O)CH3
  482784.2821  0.0027 -4.9329 3  394.7276776 -59516140448 346 0    47 245 0      C-13-H3C(O)CH3
  482784.2821  0.0027 -4.9329 3  394.7276776 -59516140448 246 0    47 345 0      C-13-H3C(O)CH3
  482815.1043  0.0279 -5.9613 3  189.7041212  5951614042620 7 3    2519 6 3      C-13-H3C(O)CH3
  482885.7074  0.0160 -6.4253 3  354.5063584  595161404362313 2    361818 2      C-13-H3C(O)CH3
  482910.5773  0.0157 -6.4252 3  354.5109584  595161404362313 1    361818 1      C-13-H3C(O)CH3
  482939.5721  0.0036 -3.6709 3  189.7420212 -5951614042620 6 4    2519 6 4      C-13-H3C(O)CH3
  482949.2960  0.1365 -6.4112 3  817.7272436  595161404543619 3    543322 3      C-13-H3C(O)CH3
  483002.7252  0.0158 -6.1648 3   87.0526296  5951614041815 4 1    1712 5 1      C-13-H3C(O)CH3
  483004.7556  0.0664 -5.9808 3 1109.7060B60  595161404721657 0    721458 0      C-13-H3C(O)CH3
  483004.7556  0.0664 -5.2272 3 1109.7060B60  595161404721557 0    721558 0      C-13-H3C(O)CH3
  483004.7556  0.0664 -5.2949 3 1109.7060B60  595161404721657 0    721558 0      C-13-H3C(O)CH3
  483017.4278  0.0044 -4.5010 3  118.8800180  595161404221111 3    211012 3      C-13-H3C(O)CH3
  483021.7287  0.0063 -4.5010 3  118.8800180  595161404221111 4    211012 4      C-13-H3C(O)CH3
  483061.4382  0.0033 -3.6732 3  189.7041212 -5951614042620 6 3    2519 6 3      C-13-H3C(O)CH3
  483104.0230  0.0030 -3.3695 3  189.7422424 -5951614042620 6 1    2519 6 1      C-13-H3C(O)CH3
  483104.7379  0.0034 -3.6728 3  189.6944212 -5951614042620 7 3    2519 7 3      C-13-H3C(O)CH3
  483123.3235  0.0799 -5.3792 3 1109.7023B60  595161404721657 1    721558 1      C-13-H3C(O)CH3
  483123.3235  0.0799 -5.3792 3 1109.7023B60  595161404721557 1    721458 1      C-13-H3C(O)CH3
  483123.3235  0.0799 -5.7112 3 1109.7023B60  595161404721557 1    721558 1      C-13-H3C(O)CH3
  483123.3235  0.0799 -5.7112 3 1109.7023B60  595161404721657 1    721458 1      C-13-H3C(O)CH3
  483125.3458  0.0800 -6.0730 3 1109.7022B60  595161404721557 2    721558 2      C-13-H3C(O)CH3
  483125.3458  0.0800 -5.2778 3 1109.7022B60  595161404721657 2    721558 2      C-13-H3C(O)CH3
  483125.3458  0.0800 -6.0730 3 1109.7022B60  595161404721657 2    721458 2      C-13-H3C(O)CH3
  483125.3458  0.0800 -5.2778 3 1109.7022B60  595161404721557 2    721458 2      C-13-H3C(O)CH3
  483159.3545  0.1979 -6.5647 3  817.7213872  595161404543618 2    543322 2      C-13-H3C(O)CH3
  483161.5855  0.0044 -4.1995 3  118.8644360  595161404221111 2    211012 2      C-13-H3C(O)CH3
  483165.4750  0.0032 -3.3691 3  189.7478424 -5951614042620 6 2    2519 6 2      C-13-H3C(O)CH3
  483172.9184  0.0175 -5.2508 3  115.8185172  5951614042115 7 4    2012 8 4      C-13-H3C(O)CH3
  483226.9761  0.0030 -3.6707 3  189.6566212 -5951614042620 7 4    2519 7 4      C-13-H3C(O)CH3
  483228.4774  0.0043 -4.1995 3  118.8668360  595161404221111 1    211012 1      C-13-H3C(O)CH3
  483244.0587  0.0588 -5.6604 3 1109.6985580  595161404721657 3    721558 3      C-13-H3C(O)CH3
  483244.0587  0.0588 -6.0574 3 1109.6985580  595161404721557 3    721558 3      C-13-H3C(O)CH3
  483244.0587  0.0588 -6.0574 3 1109.6985580  595161404721657 3    721458 3      C-13-H3C(O)CH3
  483244.0587  0.0588 -5.6604 3 1109.6985580  595161404721557 3    721458 3      C-13-H3C(O)CH3
  483244.2743  0.0588 -5.5516 3 1109.6985580  595161404721657 4    721558 4      C-13-H3C(O)CH3
  483244.2743  0.0588 -5.5169 3 1109.6985580  595161404721557 4    721458 4      C-13-H3C(O)CH3
  483261.5186  0.0052 -4.9376 3   83.0112164  59516140420 614 3    19 515 3      C-13-H3C(O)CH3
  483261.5403  0.0052 -4.9376 3   83.0112164  59516140420 714 3    19 415 3      C-13-H3C(O)CH3
  483261.6752  0.0069 -4.9376 3   83.0112164  59516140420 614 4    19 515 4      C-13-H3C(O)CH3
  483261.6966  0.0069 -4.9376 3   83.0112164  59516140420 714 4    19 415 4      C-13-H3C(O)CH3
  483267.7862  0.0028 -3.3693 3  189.6948424 -5951614042620 7 1    2519 7 1      C-13-H3C(O)CH3
  483287.3740  0.0030 -3.3692 3  189.7100424 -5951614042620 7 2    2519 7 2      C-13-H3C(O)CH3
  483309.8348  0.0028 -3.3687 3  189.7484424 -5951614042620 7 0    2519 6 0      C-13-H3C(O)CH3
  483347.6991  0.0028 -3.3686 3  189.7475424 -5951614042620 6 0    2519 7 0      C-13-H3C(O)CH3
  483350.9848  0.0275 -5.9606 3  189.6944212  5951614042620 6 3    2519 7 3      C-13-H3C(O)CH3
  483370.5937  0.0044 -4.1990 3  118.8513360  595161404221111 0    211012 0      C-13-H3C(O)CH3
  483402.7080  0.0256 -5.8917 3  520.6020712  595161404442420 2    442123 2      C-13-H3C(O)CH3
  483448.5515  0.0159 -5.8919 3  520.6253712  595161404442420 0    442123 0      C-13-H3C(O)CH3
  483450.0089  0.0270 -6.1920 3  520.5813356  595161404442420 3    442123 3      C-13-H3C(O)CH3
  483452.0525  0.0272 -6.1920 3  520.5812356  595161404442420 4    442123 4      C-13-H3C(O)CH3
  483452.5614  0.0152 -6.1014 3   87.0503296  5951614041815 4 2    1712 5 2      C-13-H3C(O)CH3
  483496.6127  0.0166 -5.8912 3  520.6045712  595161404442420 1    442123 1      C-13-H3C(O)CH3
  483518.3115  0.1132 -6.5315 3 1708.3193684  595161404852858 4    852659 4      C-13-H3C(O)CH3
  483518.3115  0.1132 -6.5315 3 1708.3193684  595161404852758 4    852759 4      C-13-H3C(O)CH3
  483518.3514  0.1132 -6.5379 3 1708.3193684  595161404852758 3    852759 3      C-13-H3C(O)CH3
  483518.3514  0.1132 -6.5379 3 1708.3193684  595161404852858 3    852659 3      C-13-H3C(O)CH3
  483527.6757  0.0569 -5.4746 3 1066.4529B44  595161404711557 0    711358 0      C-13-H3C(O)CH3
  483527.6757  0.0569 -5.4746 3 1066.4529B44  595161404711457 0    711458 0      C-13-H3C(O)CH3
  483527.6757  0.0569 -5.4299 3 1066.4529B44  595161404711557 0    711458 0      C-13-H3C(O)CH3
  483527.6757  0.0569 -5.4299 3 1066.4529B44  595161404711457 0    711358 0      C-13-H3C(O)CH3
  483559.7815  0.1306 -6.2972 3 1708.2997D68  595161404852758 1    852659 1      C-13-H3C(O)CH3
  483559.7815  0.1306 -6.2972 3 1708.2997D68  595161404852858 1    852759 1      C-13-H3C(O)CH3
  483564.0772  0.1292 -6.2828 3 1708.3032D68  595161404852858 2    852659 2      C-13-H3C(O)CH3
  483564.0772  0.1292 -6.2828 3 1708.3032D68  595161404852758 2    852759 2      C-13-H3C(O)CH3
  483605.4991  0.1443 -6.4005 3 1708.2837D68  595161404852758 0    852759 0      C-13-H3C(O)CH3
  483605.4991  0.1443 -6.4005 3 1708.2837D68  595161404852858 0    852659 0      C-13-H3C(O)CH3
  483628.2101  0.0032 -3.7711 3  367.8907332  595161404411131 4    401130 4      C-13-H3C(O)CH3
  483628.2101  0.0032 -3.7711 3  367.8907332  595161404411031 4    401030 4      C-13-H3C(O)CH3
  483628.2213  0.0032 -5.0376 3  367.8907332 -595161404411031 4    401130 4      C-13-H3C(O)CH3
  483628.2213  0.0032 -5.0376 3  367.8907332 -595161404411131 4    401030 4      C-13-H3C(O)CH3
  483628.2213  0.0058 -4.6355 3   82.9713328 -59516140420 714 2    19 415 2      C-13-H3C(O)CH3
  483628.2213  0.0058 -4.6355 3   82.9713328 -59516140420 614 2    19 515 2      C-13-H3C(O)CH3
  483628.2908  0.0032 -3.7485 3  367.8908332  595161404411131 3    401130 3      C-13-H3C(O)CH3
  483628.2908  0.0032 -3.7485 3  367.8908332  595161404411031 3    401030 3      C-13-H3C(O)CH3
  483635.5965  0.0298 -5.6467 3  736.8414808  595161404503912 0    4940 9 0      C-13-H3C(O)CH3
  483635.5971  0.0298 -5.6467 3  736.8414808  595161404503911 0    494010 0      C-13-H3C(O)CH3
  483640.6985  0.0057 -4.6357 3   82.9720328  59516140420 614 1    19 515 1      C-13-H3C(O)CH3
  483640.7200  0.0057 -4.6357 3   82.9720328  59516140420 714 1    19 415 1      C-13-H3C(O)CH3
  483653.4432  0.0036 -4.0020 3  367.9161664 -595161404411031 1    401130 1      C-13-H3C(O)CH3
  483653.4432  0.0036 -4.0020 3  367.9161664 -595161404411131 1    401030 1      C-13-H3C(O)CH3
  483653.4697  0.0036 -3.5891 3  367.9161664  595161404411031 1    401030 1      C-13-H3C(O)CH3
  483653.4697  0.0036 -3.5891 3  367.9161664  595161404411131 1    401130 1      C-13-H3C(O)CH3
  483654.0602  0.0678 -5.2080 3 1066.4438B44  595161404711557 1    711358 1      C-13-H3C(O)CH3
  483654.0602  0.0678 -6.0557 3 1066.4438B44  595161404711557 1    711458 1      C-13-H3C(O)CH3
  483654.0602  0.0678 -6.0557 3 1066.4438B44  595161404711457 1    711358 1      C-13-H3C(O)CH3
  483654.0602  0.0678 -5.2080 3 1066.4438B44  595161404711457 1    711458 1      C-13-H3C(O)CH3
  483655.0545  0.0036 -3.5710 3  367.9152664  595161404411031 2    401030 2      C-13-H3C(O)CH3
  483655.0545  0.0036 -4.0527 3  367.9152664  595161404411131 2    401030 2      C-13-H3C(O)CH3
  483655.1425  0.0036 -4.0527 3  367.9152664 -595161404411031 2    401130 2      C-13-H3C(O)CH3
  483655.1425  0.0036 -3.5710 3  367.9152664 -595161404411131 2    401130 2      C-13-H3C(O)CH3
  483655.2582  0.0678 -5.1542 3 1066.4436B44  595161404711457 2    711458 2      C-13-H3C(O)CH3
  483655.2582  0.0678 -5.1542 3 1066.4436B44  595161404711557 2    711358 2      C-13-H3C(O)CH3
  483671.9212  0.0328 -5.6472 3  736.8681808  595161404503911 1    4940 9 1      C-13-H3C(O)CH3
  483680.1887  0.0030 -3.4488 3  367.9406664 -595161404411031 0    401130 0      C-13-H3C(O)CH3
  483680.1887  0.0030 -3.4488 3  367.9406664 -595161404411131 0    401030 0      C-13-H3C(O)CH3
  483680.1979  0.0030 -5.8884 3  367.9406664  595161404411031 0    401030 0      C-13-H3C(O)CH3
  483680.1979  0.0030 -5.8884 3  367.9406664  595161404411131 0    401130 0      C-13-H3C(O)CH3
  483702.5339  0.0247 -6.3498 3  405.3161600  5951614043730 8 1    372711 1      C-13-H3C(O)CH3
  483705.9275  0.0172 -6.1039 3   87.0616148  5951614041815 4 3    1712 5 3      C-13-H3C(O)CH3
  483712.8615  0.0420 -6.2219 3  603.8305744  595161404463314 1    463017 1      C-13-H3C(O)CH3
  483765.6770  0.0108 -5.1456 3  478.3353340  595161404422518 4    412615 4      C-13-H3C(O)CH3
  483777.2691  0.0254 -6.3489 3  405.3461600  5951614043730 7 2    372710 2      C-13-H3C(O)CH3
  483781.7888  0.0543 -5.7420 3 1066.4344572  595161404711457 3    711458 3      C-13-H3C(O)CH3
  483781.7888  0.0543 -5.7625 3 1066.4344572  595161404711457 3    711358 3      C-13-H3C(O)CH3
  483781.7888  0.0543 -5.7625 3 1066.4344572  595161404711557 3    711458 3      C-13-H3C(O)CH3
  483781.7888  0.0543 -5.7420 3 1066.4344572  595161404711557 3    711358 3      C-13-H3C(O)CH3
  483781.9975  0.0543 -5.5059 3 1066.4344572  595161404711557 4    711458 4      C-13-H3C(O)CH3
  483781.9975  0.0543 -6.3768 3 1066.4344572  595161404711457 4    711458 4      C-13-H3C(O)CH3
  483781.9975  0.0543 -5.5059 3 1066.4344572  595161404711457 4    711358 4      C-13-H3C(O)CH3
  483781.9975  0.0543 -6.3768 3 1066.4344572  595161404711557 4    711358 4      C-13-H3C(O)CH3
  483821.1142  0.0318 -5.6469 3  736.8447808  595161404503912 1    494010 1      C-13-H3C(O)CH3
  483826.5331  0.0094 -5.1431 3  478.3335340  595161404422518 3    412615 3      C-13-H3C(O)CH3
  483847.2756  0.0418 -6.0426 3  603.8346744  595161404463314 0    463017 0      C-13-H3C(O)CH3
  483852.4675  0.0096 -4.8433 3  478.3509680  595161404422518 2    412615 2      C-13-H3C(O)CH3
  483859.0082  0.0033 -3.5902 3  397.6869396 -59516140449 148 4    48 147 4      C-13-H3C(O)CH3
  483859.0082  0.0034 -4.5302 3  397.6868396 -59516140449 148 3    48 247 3      C-13-H3C(O)CH3
  483859.0082  0.0034 -4.5302 3  397.6868396 -59516140449 248 3    48 147 3      C-13-H3C(O)CH3
  483859.0082  0.0033 -6.4390 3  397.6869396 -59516140449 248 4    48 147 4      C-13-H3C(O)CH3
  483859.0146  0.0034 -3.6425 3  397.6868396  59516140449 248 3    48 247 3      C-13-H3C(O)CH3
  483859.0146  0.0034 -3.6425 3  397.6868396  59516140449 148 3    48 147 3      C-13-H3C(O)CH3
  483859.0295  0.0033 -6.4390 3  397.6869396  59516140449 148 4    48 247 4      C-13-H3C(O)CH3
  483859.0295  0.0033 -3.5902 3  397.6869396  59516140449 248 4    48 247 4      C-13-H3C(O)CH3
  483860.4504  0.0090 -4.8453 3  478.3553680  595161404422518 1    412615 1      C-13-H3C(O)CH3
  483877.9149  0.0042 -3.4992 3  397.6447792  59516140449 148 1    48 247 1      C-13-H3C(O)CH3
  483877.9149  0.0042 -3.7035 3  397.6447792  59516140449 248 1    48 247 1      C-13-H3C(O)CH3
  483877.9344  0.0039 -4.5437 3  397.6443792 -59516140449 248 2    48 247 2      C-13-H3C(O)CH3
  483877.9344  0.0042 -3.4992 3  397.6447792 -59516140449 248 1    48 147 1      C-13-H3C(O)CH3
  483877.9344  0.0042 -3.7035 3  397.6447792 -59516140449 148 1    48 147 1      C-13-H3C(O)CH3
  483877.9344  0.0039 -4.5437 3  397.6443792 -59516140449 148 2    48 147 2      C-13-H3C(O)CH3
  483877.9534  0.0039 -3.3133 3  397.6443792  59516140449 248 2    48 147 2      C-13-H3C(O)CH3
  483877.9534  0.0039 -3.3133 3  397.6443792  59516140449 148 2    48 247 2      C-13-H3C(O)CH3
  483895.4081  0.0150 -6.0207 3   87.0616148  5951614041815 3 3    1712 5 3      C-13-H3C(O)CH3
  483896.7538  0.0036 -5.0666 3  195.9437220  595161404271810 4    261710 4      C-13-H3C(O)CH3
  483896.7705  0.0033 -3.4240 3  397.6022792 -59516140449 248 0    48 247 0      C-13-H3C(O)CH3
  483896.7705  0.0033 -3.4240 3  397.6022792 -59516140449 148 0    48 147 0      C-13-H3C(O)CH3
  483896.7997  0.0033 -3.8597 3  397.6022792  59516140449 148 0    48 247 0      C-13-H3C(O)CH3
  483896.7997  0.0033 -3.8597 3  397.6022792  59516140449 248 0    48 147 0      C-13-H3C(O)CH3
  483901.1015  0.0309 -5.6464 3  736.8579808  595161404503912 2    494010 2      C-13-H3C(O)CH3
  483909.9820  0.0317 -5.6471 3  736.8651808  595161404503911 2    4940 9 2      C-13-H3C(O)CH3
  483917.2843  0.0080 -4.8453 3  478.3718680  595161404422518 0    412615 0      C-13-H3C(O)CH3
  483937.4776  0.0383 -5.9479 3  736.8846404  595161404503911 3    4940 9 3      C-13-H3C(O)CH3
  483942.7830  0.0028 -6.0901 3  195.9466220  595161404271810 3    261710 3      C-13-H3C(O)CH3
  483948.0079  0.0406 -5.9486 3  736.8917404  595161404503911 4    4940 9 4      C-13-H3C(O)CH3
  483961.5130  0.0243 -6.3528 3  405.3261600  5951614043730 8 2    372711 2      C-13-H3C(O)CH3
  484002.2555  0.0254 -5.0298 3  570.2857728  595161404453115 2    443213 2      C-13-H3C(O)CH3
  484006.6872  0.0056 -4.6345 3   82.9322328  59516140420 614 0    19 515 0      C-13-H3C(O)CH3
  484006.7098  0.0056 -4.6345 3   82.9322328  59516140420 714 0    19 415 0      C-13-H3C(O)CH3
  484010.1931  0.0464 -6.1849 3  603.8325744  595161404463314 2    463017 2      C-13-H3C(O)CH3
  484015.6839  0.0031 -5.1248 3  195.9571440  595161404271810 1    261710 1      C-13-H3C(O)CH3
  484035.7641  0.0284 -5.3301 3  570.2696364  595161404453115 4    443213 4      C-13-H3C(O)CH3
  484037.3022  0.0259 -6.3480 3  405.3273600  5951614043730 7 1    372710 1      C-13-H3C(O)CH3
  484038.8551  0.0474 -5.0914 3 1023.7798B28  595161404701457 0    701258 0      C-13-H3C(O)CH3
  484038.8551  0.0474 -5.0914 3 1023.7798B28  595161404701357 0    701358 0      C-13-H3C(O)CH3
  484065.4603  0.0245 -6.3510 3  405.3477600  5951614043730 7 0    372710 0      C-13-H3C(O)CH3
  484077.1624  0.0245 -6.3510 3  405.3473600  5951614043730 8 0    372711 0      C-13-H3C(O)CH3
  484082.2848  0.0565 -6.4311 3  603.8213372  595161404463314 4    463017 4      C-13-H3C(O)CH3
  484083.4177  0.1426 -6.1354 3  905.7566920  595161404573721 0    573424 0      C-13-H3C(O)CH3
  484085.9317  0.0370 -5.9476 3  736.8612404  595161404503912 4    494010 4      C-13-H3C(O)CH3
  484089.4188  0.0029 -5.6350 3  195.9573440  595161404271810 2    261710 2      C-13-H3C(O)CH3
  484095.8534  0.0383 -5.9483 3  736.8684404  595161404503912 3    494010 3      C-13-H3C(O)CH3
  484119.9445  0.0253 -5.3439 3  570.2979364  595161404453115 3    443213 3      C-13-H3C(O)CH3
  484130.2074  0.0230 -5.0291 3  570.2886728  595161404453115 0    443212 0      C-13-H3C(O)CH3
  484168.0461  0.0560 -5.7826 3 1023.7652B28  595161404701357 1    701258 1      C-13-H3C(O)CH3
  484168.0461  0.0560 -5.1896 3 1023.7652B28  595161404701357 1    701358 1      C-13-H3C(O)CH3
  484168.0461  0.0560 -5.7826 3 1023.7652B28  595161404701457 1    701358 1      C-13-H3C(O)CH3
  484168.0461  0.0560 -5.1896 3 1023.7652B28  595161404701457 1    701258 1      C-13-H3C(O)CH3
  484168.5730  0.0557 -5.2894 3 1023.7650B28  595161404701357 2    701258 2      C-13-H3C(O)CH3
  484168.5730  0.0557 -5.5265 3 1023.7650B28  595161404701357 2    701358 2      C-13-H3C(O)CH3
  484168.5730  0.0557 -5.4498 3 1023.7650B28  595161404701457 2    701258 2      C-13-H3C(O)CH3
  484168.5730  0.0557 -5.3408 3 1023.7650B28  595161404701457 2    701358 2      C-13-H3C(O)CH3
  484175.1674  0.0057 -4.4999 3  118.8788180  595161404221211 4    21 912 4      C-13-H3C(O)CH3
  484176.7595  0.0041 -4.5000 3  118.8788180  595161404221211 3    21 912 3      C-13-H3C(O)CH3
  484179.0702  0.0130 -4.8184 3  126.4923180  5951614042215 8 4    2112 9 4      C-13-H3C(O)CH3
  484179.1850  0.0236 -5.2462 3  632.5017760  595161404473414 0    463511 0      C-13-H3C(O)CH3
  484179.8200  0.0247 -5.2458 3  632.5106760  595161404473414 2    463512 2      C-13-H3C(O)CH3
  484181.3898  0.0236 -5.2462 3  632.5017760  595161404473413 0    463512 0      C-13-H3C(O)CH3
  484204.9533  0.0192 -6.2534 3  421.9916632  595161404392613 0    392118 0      C-13-H3C(O)CH3
  484221.0227  0.0245 -5.0310 3  570.2726728  595161404453115 1    443213 1      C-13-H3C(O)CH3
  484259.6332  0.0231 -5.0288 3  570.2885728  595161404453114 0    443213 0      C-13-H3C(O)CH3
  484297.9063  0.0499 -5.3988 3 1023.7504564  595161404701357 3    701258 3      C-13-H3C(O)CH3
  484297.9063  0.0499 -5.3988 3 1023.7504564  595161404701457 3    701358 3      C-13-H3C(O)CH3
  484298.0922  0.0499 -6.4954 3 1023.7503564  595161404701357 4    701258 4      C-13-H3C(O)CH3
  484298.0922  0.0499 -5.4272 3 1023.7503564  595161404701357 4    701358 4      C-13-H3C(O)CH3
  484298.0922  0.0499 -6.4954 3 1023.7503564  595161404701457 4    701358 4      C-13-H3C(O)CH3
  484298.0922  0.0499 -5.4272 3 1023.7503564  595161404701457 4    701258 4      C-13-H3C(O)CH3
  484298.7032  0.0266 -5.5468 3  632.5023380  595161404473414 4    463512 4      C-13-H3C(O)CH3
  484299.1938  0.0246 -5.2461 3  632.4936760  595161404473414 1    463512 1      C-13-H3C(O)CH3
  484318.9228  0.1060 -6.5186 3 1657.5810676  595161404842758 4    842659 4      C-13-H3C(O)CH3
  484318.9228  0.1060 -6.5186 3 1657.5810676  595161404842658 4    842559 4      C-13-H3C(O)CH3
  484318.9453  0.1060 -6.4377 3 1657.5810676  595161404842758 3    842559 3      C-13-H3C(O)CH3
  484318.9453  0.1060 -6.4377 3 1657.5810676  595161404842658 3    842659 3      C-13-H3C(O)CH3
  484321.7505  0.0271 -5.5471 3  632.5299380  595161404473414 3    463511 3      C-13-H3C(O)CH3
  484323.7451  0.0252 -5.2464 3  632.5210760  595161404473413 1    463511 1      C-13-H3C(O)CH3
  484325.0482  0.0231 -5.0311 3  570.3008728  595161404453114 1    443212 1      C-13-H3C(O)CH3
  484330.9868  0.0211 -5.0297 3  570.3181728  595161404453114 2    443212 2      C-13-H3C(O)CH3
  484347.7315  0.0126 -4.8905 3  115.8021344  5951614042115 7 1    2012 8 1      C-13-H3C(O)CH3
  484352.4539  0.1181 -6.1660 3 1657.5597D52  595161404842758 1    842659 1      C-13-H3C(O)CH3
  484352.4539  0.1181 -6.1660 3 1657.5597D52  595161404842658 1    842559 1      C-13-H3C(O)CH3
  484354.8216  0.0041 -4.1984 3  118.8632360  595161404221211 2    21 912 2      C-13-H3C(O)CH3
  484358.1408  0.1186 -6.1606 3 1657.5628D52  595161404842758 2    842659 2      C-13-H3C(O)CH3
  484358.1408  0.1186 -6.1606 3 1657.5628D52  595161404842658 2    842559 2      C-13-H3C(O)CH3
  484368.2036  0.0204 -5.3437 3  570.3021364  595161404453114 3    443212 3      C-13-H3C(O)CH3
  484388.2951  0.0111 -5.0671 3  115.8175172  5951614042115 7 3    2012 8 3      C-13-H3C(O)CH3
  484391.5528  0.0211 -6.2618 3  421.9688632  595161404392613 1    392118 1      C-13-H3C(O)CH3
  484391.6543  0.1299 -6.4372 3 1657.5416D52  595161404842758 0    842559 0      C-13-H3C(O)CH3
  484391.6543  0.1299 -6.4211 3 1657.5416D52  595161404842758 0    842659 0      C-13-H3C(O)CH3
  484391.6543  0.1299 -6.4372 3 1657.5416D52  595161404842658 0    842659 0      C-13-H3C(O)CH3
  484391.6543  0.1299 -6.4211 3 1657.5416D52  595161404842658 0    842559 0      C-13-H3C(O)CH3
  484392.5159  0.0040 -4.1985 3  118.8656360  595161404221211 1    21 912 1      C-13-H3C(O)CH3
  484435.6764  0.0762 -6.0205 3  801.5575872  595161404543322 0    543025 0      C-13-H3C(O)CH3
  484445.6258  0.0250 -5.2460 3  632.5330760  595161404473413 2    463511 2      C-13-H3C(O)CH3
  484453.9501  0.0210 -5.3301 3  570.3303364  595161404453114 4    443212 4      C-13-H3C(O)CH3
  484494.6347  0.0529 -6.5706 3  603.8369372  595161404463314 3    463017 3      C-13-H3C(O)CH3
  484540.6574  0.0386 -5.2443 3  981.6873B12  595161404691257 0    691158 0      C-13-H3C(O)CH3
  484540.6574  0.0386 -5.4538 3  981.6873B12  595161404691257 0    691258 0      C-13-H3C(O)CH3
  484540.6574  0.0386 -5.2443 3  981.6873B12  595161404691357 0    691258 0      C-13-H3C(O)CH3
  484540.6574  0.0386 -5.4538 3  981.6873B12  595161404691357 0    691158 0      C-13-H3C(O)CH3
  484563.2310  0.0256 -5.5471 3  632.5249380  595161404473413 3    463512 3      C-13-H3C(O)CH3
  484570.9723  0.0042 -4.1980 3  118.8501360  595161404221211 0    21 912 0      C-13-H3C(O)CH3
  484579.0609  0.0078 -5.5885 3   62.4719156  59516140419 316 3    18 217 3      C-13-H3C(O)CH3
  484579.0609  0.0078 -5.5885 3   62.4719156  59516140419 416 3    18 117 3      C-13-H3C(O)CH3
  484579.5010  0.0094 -5.5703 3   62.4719156  59516140419 316 4    18 217 4      C-13-H3C(O)CH3
  484579.5010  0.0094 -5.5703 3   62.4719156  59516140419 416 4    18 117 4      C-13-H3C(O)CH3
  484588.6436  0.0304 -5.5472 3  632.5523380  595161404473413 4    463511 4      C-13-H3C(O)CH3
  484589.9371  0.0541 -6.5136 3  603.8305744  595161404463313 1    463017 1      C-13-H3C(O)CH3
  484608.9227  0.0747 -6.0202 3  801.5569872  595161404543322 1    543025 1      C-13-H3C(O)CH3
  484615.0272  0.0591 -6.0203 3  801.5563872  595161404543322 2    543025 2      C-13-H3C(O)CH3
  484662.4033  0.0031 -3.8230 3  375.1691340 -59516140442 933 3    411032 3      C-13-H3C(O)CH3
  484662.4033  0.0031 -4.4419 3  375.1691340 -595161404421033 3    411032 3      C-13-H3C(O)CH3
  484662.4033  0.0032 -4.9788 3  375.1691340 -595161404421033 4    41 932 4      C-13-H3C(O)CH3
  484662.4033  0.0032 -3.7546 3  375.1691340 -59516140442 933 4    41 932 4      C-13-H3C(O)CH3
  484662.4437  0.0032 -3.7546 3  375.1691340  595161404421033 4    411032 4      C-13-H3C(O)CH3
  484662.4437  0.0032 -4.9788 3  375.1691340  59516140442 933 4    411032 4      C-13-H3C(O)CH3
  484662.5204  0.0031 -4.4419 3  375.1691340  59516140442 933 3    41 932 3      C-13-H3C(O)CH3
  484662.5204  0.0031 -3.8230 3  375.1691340  595161404421033 3    41 932 3      C-13-H3C(O)CH3
  484666.2553  0.0456 -5.0353 3  981.6674B12  595161404691257 1    691158 1      C-13-H3C(O)CH3
  484666.2553  0.0456 -5.0353 3  981.6674B12  595161404691357 1    691258 1      C-13-H3C(O)CH3
  484666.3019  0.0451 -5.0622 3  981.6673B12  595161404691357 2    691158 2      C-13-H3C(O)CH3
  484666.3019  0.0451 -6.2542 3  981.6673B12  595161404691257 2    691158 2      C-13-H3C(O)CH3
  484666.3019  0.0451 -5.0622 3  981.6673B12  595161404691257 2    691258 2      C-13-H3C(O)CH3
  484666.3019  0.0451 -6.2542 3  981.6673B12  595161404691357 2    691258 2      C-13-H3C(O)CH3
  484678.6921  0.1201 -6.1599 3  905.7623920  595161404573721 1    573424 1      C-13-H3C(O)CH3
  484689.8563  0.0036 -3.9259 3  375.1931680  59516140442 933 1    411032 1      C-13-H3C(O)CH3
  484689.8563  0.0036 -3.5947 3  375.1931680  595161404421033 1    411032 1      C-13-H3C(O)CH3
  484689.8789  0.0036 -3.5947 3  375.1931680 -59516140442 933 1    41 932 1      C-13-H3C(O)CH3
  484689.8789  0.0036 -3.9259 3  375.1931680 -595161404421033 1    41 932 1      C-13-H3C(O)CH3
  484691.0670  0.0036 -3.5872 3  375.1923680  595161404421033 2    41 932 2      C-13-H3C(O)CH3
  484691.0670  0.0036 -3.5872 3  375.1923680  59516140442 933 2    411032 2      C-13-H3C(O)CH3
  484691.1124  0.0036 -3.9425 3  375.1923680 -59516140442 933 2    41 932 2      C-13-H3C(O)CH3
  484691.1124  0.0036 -3.9425 3  375.1923680 -595161404421033 2    411032 2      C-13-H3C(O)CH3
  484691.3999  0.0093 -4.7725 3  126.4913180  5951614042215 8 3    2112 9 3      C-13-H3C(O)CH3
  484714.8870  0.0601 -6.3244 3  817.7272444  595161404553025 3    543322 3      C-13-H3C(O)CH3
  484718.3113  0.0029 -4.4769 3  375.2162680 -595161404421033 0    411032 0      C-13-H3C(O)CH3
  484718.3113  0.0029 -4.4769 3  375.2162680 -59516140442 933 0    41 932 0      C-13-H3C(O)CH3
  484718.3113  0.0029 -3.4691 3  375.2162680 -595161404421033 0    41 932 0      C-13-H3C(O)CH3
  484718.3113  0.0029 -3.4691 3  375.2162680 -59516140442 933 0    411032 0      C-13-H3C(O)CH3
  484719.7151  0.1502 -6.1669 3  905.7622920  595161404573721 2    573424 2      C-13-H3C(O)CH3
  484744.6363  0.0074 -6.3507 3  218.4271488  595161404301218 2    30 921 2      C-13-H3C(O)CH3
  484744.7987  0.0074 -6.3507 3  218.4271488  595161404301318 2    301021 2      C-13-H3C(O)CH3
  484752.3784  0.0537 -6.3245 3  817.7260444  595161404553025 4    543322 4      C-13-H3C(O)CH3
  484764.7297  0.0302 -5.9231 3  654.0455792  595161404492921 0    492624 0      C-13-H3C(O)CH3
  484773.5337  0.0496 -6.3212 3  801.5556436  595161404543322 4    543025 4      C-13-H3C(O)CH3
  484776.9144  0.0074 -6.3495 3  218.4285488  595161404301218 1    30 921 1      C-13-H3C(O)CH3
  484777.0684  0.0074 -6.3495 3  218.4285488  595161404301318 1    301021 1      C-13-H3C(O)CH3
  484792.0325  0.0457 -5.4327 3  981.6473556  595161404691357 3    691258 3      C-13-H3C(O)CH3
  484792.0325  0.0457 -6.0350 3  981.6473556  595161404691357 3    691158 3      C-13-H3C(O)CH3
  484792.0325  0.0457 -5.4327 3  981.6473556  595161404691257 3    691158 3      C-13-H3C(O)CH3
  484792.0325  0.0457 -6.0350 3  981.6473556  595161404691257 3    691258 3      C-13-H3C(O)CH3
  484792.1760  0.0457 -5.3399 3  981.6473556  595161404691357 4    691158 4      C-13-H3C(O)CH3
  484792.1760  0.0457 -5.3399 3  981.6473556  595161404691257 4    691258 4      C-13-H3C(O)CH3
  484808.2232  0.0363 -5.9227 3  654.0331792  595161404492921 2    492624 2      C-13-H3C(O)CH3
  484809.6779  0.0500 -6.3210 3  801.5557436  595161404543322 3    543025 3      C-13-H3C(O)CH3
  484836.5285  0.0329 -5.9224 3  654.0350792  595161404492921 1    492624 1      C-13-H3C(O)CH3
  484868.5726  0.0287 -6.2900 3  421.9621632  595161404392613 2    392118 2      C-13-H3C(O)CH3
  484872.7905  0.0098 -4.4906 3  126.4806360  5951614042215 8 1    2112 9 1      C-13-H3C(O)CH3
  484877.2685  0.0381 -6.2230 3  654.0225396  595161404492921 4    492624 4      C-13-H3C(O)CH3
  484885.9908  0.0374 -6.2230 3  654.0225396  595161404492921 3    492624 3      C-13-H3C(O)CH3
  484886.9868  0.0146 -6.5482 3  457.6877664  595161404412517 2    402615 2      C-13-H3C(O)CH3
  484909.5544  0.0151 -6.5168 3  457.6685332  595161404412517 4    402615 4      C-13-H3C(O)CH3
  484912.1667  0.0726 -6.0234 3  817.7213888  595161404553025 2    543322 2      C-13-H3C(O)CH3
  484912.3267  0.0251 -6.5680 3  421.9392316  595161404392613 3    392118 3      C-13-H3C(O)CH3
  484912.4232  0.0750 -6.0241 3  817.7217888  595161404553025 1    543322 1      C-13-H3C(O)CH3
  484932.1672  0.0118 -4.8695 3  115.7917344  5951614042115 7 2    2012 8 2      C-13-H3C(O)CH3
  484983.1043  0.0069 -6.3486 3  218.4357488  595161404301218 0    30 921 0      C-13-H3C(O)CH3
  484983.2604  0.0069 -6.3486 3  218.4357488  595161404301318 0    301021 0      C-13-H3C(O)CH3
  484999.1204  0.0050 -4.5548 3  400.0640404 -59516140450 050 4    49 149 4      C-13-H3C(O)CH3
  484999.1204  0.0050 -4.5548 3  400.0640404 -59516140450 150 4    49 049 4      C-13-H3C(O)CH3
  484999.1204  0.0050 -3.5726 3  400.0640404 -59516140450 150 3    49 149 3      C-13-H3C(O)CH3
  484999.1204  0.0050 -3.5726 3  400.0640404 -59516140450 050 3    49 049 3      C-13-H3C(O)CH3
  484999.2398  0.0050 -3.6203 3  400.0640404  59516140450 050 4    49 049 4      C-13-H3C(O)CH3
  484999.2398  0.0050 -3.6203 3  400.0640404  59516140450 150 4    49 149 4      C-13-H3C(O)CH3
  485003.4288  0.0072 -3.2782 3  399.9980808  59516140450 050 1    49 049 1      C-13-H3C(O)CH3
  485003.4288  0.0072 -3.2782 3  399.9980808  59516140450 150 1    49 149 1      C-13-H3C(O)CH3
  485003.5530  0.0072 -5.0737 3  399.9980808 -59516140450 050 1    49 149 1      C-13-H3C(O)CH3
  485003.5530  0.0067 -3.6079 3  399.9977808 -59516140450 050 2    49 049 2      C-13-H3C(O)CH3
  485003.5530  0.0072 -5.0737 3  399.9980808 -59516140450 150 1    49 049 1      C-13-H3C(O)CH3
  485003.5530  0.0067 -3.6079 3  399.9977808 -59516140450 150 2    49 149 2      C-13-H3C(O)CH3
  485003.5897  0.0067 -3.5394 3  399.9977808  59516140450 150 2    49 049 2      C-13-H3C(O)CH3
  485003.5897  0.0067 -3.5394 3  399.9977808  59516140450 050 2    49 149 2      C-13-H3C(O)CH3
  485007.7496  0.0054 -3.3041 3  399.9319808  59516140450 050 0    49 049 0      C-13-H3C(O)CH3
  485007.7496  0.0054 -3.3348 3  399.9319808  59516140450 150 0    49 149 0      C-13-H3C(O)CH3
  485007.7958  0.0054 -4.1367 3  399.9319808 -59516140450 150 0    49 049 0      C-13-H3C(O)CH3
  485007.7958  0.0054 -4.4081 3  399.9319808 -59516140450 050 0    49 149 0      C-13-H3C(O)CH3
  485035.6291  0.0310 -6.0581 3  940.1758A96  595161404681157 0    681158 0      C-13-H3C(O)CH3
  485035.6291  0.0310 -5.0222 3  940.1758A96  595161404681157 0    681058 0      C-13-H3C(O)CH3
  485035.6291  0.0310 -5.0222 3  940.1758A96  595161404681257 0    681158 0      C-13-H3C(O)CH3
  485035.6291  0.0310 -6.0581 3  940.1758A96  595161404681257 0    681058 0      C-13-H3C(O)CH3
  485048.7520  0.0141 -5.8068 3   87.0916148  5951614041815 3 4    1712 5 4      C-13-H3C(O)CH3
  485073.0746  0.0100 -5.2681 3   62.4092312  59516140419 316 2    18 217 2      C-13-H3C(O)CH3
  485073.0746  0.0100 -5.2668 3   62.4092312  59516140419 416 2    18 117 2      C-13-H3C(O)CH3
  485076.7552  0.0100 -5.2959 3   62.4097312  59516140419 316 1    18 217 1      C-13-H3C(O)CH3
  485076.7552  0.0100 -6.4577 3   62.4097312  59516140419 416 1    18 217 1      C-13-H3C(O)CH3
  485076.7552  0.0100 -5.2959 3   62.4097312  59516140419 416 1    18 117 1      C-13-H3C(O)CH3
  485076.7552  0.0100 -6.4577 3   62.4097312  59516140419 316 1    18 117 1      C-13-H3C(O)CH3
  485086.3854  0.0800 -6.0241 3  817.7166888  595161404553025 0    543322 0      C-13-H3C(O)CH3
  485095.1010  0.1005 -6.5360 3 1607.4103668  595161404832658 4    832459 4      C-13-H3C(O)CH3
  485095.1010  0.1005 -6.5360 3 1607.4103668  595161404832558 4    832559 4      C-13-H3C(O)CH3
  485095.1040  0.1005 -6.5663 3 1607.4102668  595161404832558 3    832559 3      C-13-H3C(O)CH3
  485095.1040  0.1005 -6.5663 3 1607.4102668  595161404832658 3    832459 3      C-13-H3C(O)CH3
  485109.8745  0.1091 -6.5143 3  905.7679460  595161404573721 4    573424 4      C-13-H3C(O)CH3
  485118.9879  0.1129 -6.0401 3 1607.3879D36  595161404832658 1    832459 1      C-13-H3C(O)CH3
  485118.9879  0.1129 -6.0401 3 1607.3879D36  595161404832558 1    832559 1      C-13-H3C(O)CH3
  485125.7214  0.1143 -6.0473 3 1607.3905D36  595161404832658 2    832459 2      C-13-H3C(O)CH3
  485125.7214  0.1143 -6.0473 3 1607.3905D36  595161404832558 2    832559 2      C-13-H3C(O)CH3
  485129.1475  0.0594 -6.5288 3  938.3658888  5951614045548 7 1    5449 5 1      C-13-H3C(O)CH3
  485129.6030  0.0123 -5.7957 3   86.9456148  5951614041815 4 4    1712 6 4      C-13-H3C(O)CH3
  485149.4832  0.0377 -5.3038 3  940.1511A96  595161404681257 2    681058 2      C-13-H3C(O)CH3
  485149.4832  0.0377 -5.3038 3  940.1511A96  595161404681157 2    681158 2      C-13-H3C(O)CH3
  485149.4832  0.0377 -5.2663 3  940.1511A96  595161404681257 2    681158 2      C-13-H3C(O)CH3
  485149.4832  0.0377 -5.2663 3  940.1511A96  595161404681157 2    681058 2      C-13-H3C(O)CH3
  485149.6238  0.1206 -6.0512 3 1607.3682D36  595161404832658 0    832559 0      C-13-H3C(O)CH3
  485149.6238  0.1206 -6.0512 3 1607.3682D36  595161404832558 0    832459 0      C-13-H3C(O)CH3
  485149.7024  0.0384 -5.3405 3  940.1512A96  595161404681157 1    681158 1      C-13-H3C(O)CH3
  485149.7024  0.0384 -5.2352 3  940.1512A96  595161404681157 1    681058 1      C-13-H3C(O)CH3
  485149.7024  0.0384 -5.3405 3  940.1512A96  595161404681257 1    681058 1      C-13-H3C(O)CH3
  485149.7024  0.0384 -5.2352 3  940.1512A96  595161404681257 1    681158 1      C-13-H3C(O)CH3
  485186.6040  0.0661 -6.5297 3  938.3470888  5951614045548 8 2    5449 5 2      C-13-H3C(O)CH3
  485242.4880  0.0113 -5.5564 3   87.0526296  5951614041815 3 1    1712 5 1      C-13-H3C(O)CH3
  485263.6729  0.0415 -5.7566 3  940.1265548  595161404681157 3    681158 3      C-13-H3C(O)CH3
  485263.6729  0.0415 -5.7566 3  940.1265548  595161404681257 3    681058 3      C-13-H3C(O)CH3
  485263.6729  0.0415 -5.4629 3  940.1265548  595161404681257 3    681158 3      C-13-H3C(O)CH3
  485263.6729  0.0415 -5.4629 3  940.1265548  595161404681157 3    681058 3      C-13-H3C(O)CH3
  485263.7511  0.0415 -5.2964 3  940.1264548  595161404681257 4    681158 4      C-13-H3C(O)CH3
  485263.7511  0.0415 -5.2964 3  940.1264548  595161404681157 4    681058 4      C-13-H3C(O)CH3
  485299.4307  0.0091 -4.4865 3  126.4702360  5951614042215 8 2    2112 9 2      C-13-H3C(O)CH3
  485303.7038  0.0643 -6.5293 3  938.3566888  5951614045548 8 1    5449 6 1      C-13-H3C(O)CH3
  485349.5270  0.0097 -5.4623 3   87.0228296  5951614041815 4 0    1712 5 0      C-13-H3C(O)CH3
  485360.1302  0.0183 -5.6340 3  105.5939164  5951614042015 6 4    1912 7 4      C-13-H3C(O)CH3
  485379.7106  0.2199 -6.4077 3  827.7840444  595161404553223 3    552926 3      C-13-H3C(O)CH3
  485387.5276  0.2198 -6.4077 3  827.7840444  595161404553223 4    552926 4      C-13-H3C(O)CH3
  485427.8699  0.0103 -6.5172 3  115.8175172  5951614042115 6 3    2012 8 3      C-13-H3C(O)CH3
  485429.2698  0.0607 -6.5283 3  938.3281888  5951614045548 8 0    5449 5 0      C-13-H3C(O)CH3
  485429.2698  0.0607 -6.5283 3  938.3281888  5951614045548 7 0    5449 6 0      C-13-H3C(O)CH3
  485503.9044  0.0111 -5.5761 3   87.0503296  5951614041815 3 2    1712 5 2      C-13-H3C(O)CH3
  485526.4984  0.0254 -4.9475 3  899.2457A80  595161404671057 0    671058 0      C-13-H3C(O)CH3
  485526.4984  0.0254 -6.5643 3  899.2457A80  595161404671057 0    67 958 0      C-13-H3C(O)CH3
  485526.4984  0.0254 -6.5643 3  899.2457A80  595161404671157 0    671058 0      C-13-H3C(O)CH3
  485526.4984  0.0254 -4.9475 3  899.2457A80  595161404671157 0    67 958 0      C-13-H3C(O)CH3
  485542.0570  0.0150 -5.8890 3  520.6254712  595161404442520 0    442223 0      C-13-H3C(O)CH3
  485542.5063  0.0191 -6.0093 3   95.9902156  5951614041915 5 4    1812 6 4      C-13-H3C(O)CH3
  485569.6220  0.0098 -5.7077 3   62.3472312  59516140419 416 0    18 217 0      C-13-H3C(O)CH3
  485569.6220  0.0098 -5.4602 3   62.3472312  59516140419 416 0    18 117 0      C-13-H3C(O)CH3
  485569.6220  0.0098 -5.7077 3   62.3472312  59516140419 316 0    18 117 0      C-13-H3C(O)CH3
  485569.6220  0.0098 -5.4602 3   62.3472312  59516140419 316 0    18 217 0      C-13-H3C(O)CH3
  485574.4179  0.0208 -5.8888 3  520.6022712  595161404442520 2    442223 2      C-13-H3C(O)CH3
  485593.2262  0.1788 -6.4399 3  905.7682460  595161404573721 3    573424 3      C-13-H3C(O)CH3
  485594.1454  0.1637 -6.1534 3  934.2367936  595161404583722 0    583425 0      C-13-H3C(O)CH3
  485608.2846  0.0660 -6.5293 3  938.3398888  5951614045548 7 2    5449 6 2      C-13-H3C(O)CH3
  485619.1800  0.0350 -5.0452 3  899.2172A80  595161404671057 2    671058 2      C-13-H3C(O)CH3
  485619.1800  0.0350 -5.5927 3  899.2172A80  595161404671057 2    67 958 2      C-13-H3C(O)CH3
  485619.1800  0.0350 -5.5927 3  899.2172A80  595161404671157 2    671058 2      C-13-H3C(O)CH3
  485619.1800  0.0350 -5.0452 3  899.2172A80  595161404671157 2    67 958 2      C-13-H3C(O)CH3
  485619.4452  0.0357 -4.9371 3  899.2174A80  595161404671057 1    671058 1      C-13-H3C(O)CH3
  485619.4452  0.0357 -4.9371 3  899.2174A80  595161404671157 1    67 958 1      C-13-H3C(O)CH3
  485629.4885  0.0164 -5.8883 3  520.6047712  595161404442520 1    442223 1      C-13-H3C(O)CH3
  485661.8978  0.0219 -6.1890 3  520.5814356  595161404442520 4    442223 4      C-13-H3C(O)CH3
  485663.1206  0.0218 -6.1890 3  520.5814356  595161404442520 3    442223 3      C-13-H3C(O)CH3
  485712.2072  0.0376 -5.4241 3  899.1888540  595161404671157 4    67 958 4      C-13-H3C(O)CH3
  485712.2072  0.0376 -5.6946 3  899.1888540  595161404671157 4    671058 4      C-13-H3C(O)CH3
  485712.2072  0.0376 -5.4241 3  899.1888540  595161404671057 4    671058 4      C-13-H3C(O)CH3
  485712.2072  0.0376 -5.6946 3  899.1888540  595161404671057 4    67 958 4      C-13-H3C(O)CH3
  485712.2191  0.0376 -5.2443 3  899.1888540  595161404671157 3    67 958 3      C-13-H3C(O)CH3
  485712.2191  0.0376 -5.2443 3  899.1888540  595161404671057 3    671058 3      C-13-H3C(O)CH3
  485719.1241  0.0031 -3.7272 3  381.8980348 -59516140443 835 4    42 834 4      C-13-H3C(O)CH3
  485719.1241  0.0031 -5.3859 3  381.8980348 -59516140443 835 3    42 934 3      C-13-H3C(O)CH3
  485719.1241  0.0031 -5.3859 3  381.8980348 -59516140443 935 3    42 834 3      C-13-H3C(O)CH3
  485719.1241  0.0031 -5.1667 3  381.8980348 -59516140443 935 4    42 834 4      C-13-H3C(O)CH3
  485719.1470  0.0031 -5.1667 3  381.8980348  59516140443 835 4    42 934 4      C-13-H3C(O)CH3
  485719.1470  0.0031 -3.7272 3  381.8980348  59516140443 935 4    42 934 4      C-13-H3C(O)CH3
  485719.2185  0.0031 -3.7210 3  381.8980348  59516140443 835 3    42 834 3      C-13-H3C(O)CH3
  485719.2185  0.0031 -3.7210 3  381.8980348  59516140443 935 3    42 934 3      C-13-H3C(O)CH3
  485748.8451  0.0036 -3.5594 3  381.9199696  59516140443 835 1    42 834 1      C-13-H3C(O)CH3
  485748.8451  0.0036 -3.9483 3  381.9199696  59516140443 935 1    42 834 1      C-13-H3C(O)CH3
  485748.8693  0.0036 -3.9483 3  381.9199696 -59516140443 835 1    42 934 1      C-13-H3C(O)CH3
  485748.8693  0.0036 -3.5594 3  381.9199696 -59516140443 935 1    42 934 1      C-13-H3C(O)CH3
  485749.6965  0.0036 -3.5013 3  381.9192696 -59516140443 835 2    42 934 2      C-13-H3C(O)CH3
  485749.6965  0.0036 -3.5013 3  381.9192696 -59516140443 935 2    42 834 2      C-13-H3C(O)CH3
  485749.7698  0.0036 -4.1359 3  381.9192696  59516140443 835 2    42 834 2      C-13-H3C(O)CH3
  485749.7698  0.0036 -4.1359 3  381.9192696  59516140443 935 2    42 934 2      C-13-H3C(O)CH3
  485754.1740  0.0086 -4.4762 3  126.4591360  5951614042215 8 0    2112 9 0      C-13-H3C(O)CH3
  485779.3767  0.0029 -3.4523 3  381.9410696 -59516140443 935 0    42 934 0      C-13-H3C(O)CH3
  485779.3767  0.0029 -3.4523 3  381.9410696 -59516140443 835 0    42 834 0      C-13-H3C(O)CH3
  485779.3767  0.0029 -4.4498 3  381.9410696 -59516140443 835 0    42 934 0      C-13-H3C(O)CH3
  485779.3767  0.0029 -4.4498 3  381.9410696 -59516140443 935 0    42 834 0      C-13-H3C(O)CH3
  485797.9384  0.0594 -6.2325 3  624.9853388  595161404482721 3    482424 3      C-13-H3C(O)CH3
  485801.2019  0.0100 -4.7576 3  115.7760344  5951614042115 7 0    2012 8 0      C-13-H3C(O)CH3
  485802.2889  0.0601 -6.2325 3  624.9853388  595161404482721 4    482424 4      C-13-H3C(O)CH3
  485809.3659  0.0091 -6.4470 3   67.9468140  5951614041710 7 3    16 710 3      C-13-H3C(O)CH3
  485847.5859  0.0136 -6.4474 3   67.9468140  5951614041710 7 4    16 710 4      C-13-H3C(O)CH3
  485847.5875  0.0964 -6.2540 3 1557.8082660  595161404822558 3    822359 3      C-13-H3C(O)CH3
  485847.5875  0.0964 -6.2540 3 1557.8082660  595161404822458 3    822459 3      C-13-H3C(O)CH3
  485847.6062  0.0964 -6.4372 3 1557.8082660  595161404822558 4    822359 4      C-13-H3C(O)CH3
  485847.6062  0.0964 -6.4372 3 1557.8082660  595161404822458 4    822459 4      C-13-H3C(O)CH3
  485853.8642  0.0095 -6.1396 3   67.9087280  5951614041710 7 2    16 710 2      C-13-H3C(O)CH3
  485860.1833  0.1133 -6.0210 3 1557.7852D20  595161404822458 1    822459 1      C-13-H3C(O)CH3
  485860.1833  0.1133 -6.0210 3 1557.7852D20  595161404822558 1    822359 1      C-13-H3C(O)CH3
  485867.6091  0.1148 -6.0239 3 1557.7875D20  595161404822558 2    822459 2      C-13-H3C(O)CH3
  485867.6091  0.1148 -6.0239 3 1557.7875D20  595161404822458 2    822359 2      C-13-H3C(O)CH3
  485880.2372  0.1154 -5.9981 3 1557.7646D20  595161404822558 0    822359 0      C-13-H3C(O)CH3
  485880.2372  0.1154 -5.9981 3 1557.7646D20  595161404822458 0    822459 0      C-13-H3C(O)CH3
  485890.2551  0.0583 -5.9322 3  624.9982776  595161404482721 2    482424 2      C-13-H3C(O)CH3
  485891.6593  0.0949 -6.2602 3  791.0273436  595161404543024 3    533321 3      C-13-H3C(O)CH3
  485908.4057  0.0456 -6.3009 3  893.9071872  5951614045446 8 1    5347 6 1      C-13-H3C(O)CH3
  485913.0512  0.2263 -6.1075 3  827.7829888  595161404553223 2    552926 2      C-13-H3C(O)CH3
  485935.2345  0.0662 -6.0539 3  734.2025824  595161404513517 0    513220 0      C-13-H3C(O)CH3
  485980.0824  0.0816 -6.2611 3  791.0244436  595161404543024 4    533321 4      C-13-H3C(O)CH3
  485990.7770  0.1399 -6.1074 3  827.7831888  595161404553223 1    552926 1      C-13-H3C(O)CH3
  486009.0524  0.0314 -5.9318 3  625.0002776  595161404482721 1    482424 1      C-13-H3C(O)CH3
  486016.1717  0.0225 -5.2670 3  858.8973A64  59516140466 957 0    66 958 0      C-13-H3C(O)CH3
  486016.1717  0.0225 -5.1364 3  858.8973A64  59516140466 957 0    66 858 0      C-13-H3C(O)CH3
  486016.1717  0.0225 -5.1364 3  858.8973A64  595161404661057 0    66 958 0      C-13-H3C(O)CH3
  486016.1717  0.0225 -5.2670 3  858.8973A64  595161404661057 0    66 858 0      C-13-H3C(O)CH3
  486044.7874  0.0669 -6.2972 3  734.2070824  595161404513517 1    513220 1      C-13-H3C(O)CH3
  486056.1160  0.0095 -6.1425 3   67.9101280  5951614041710 7 1    16 710 1      C-13-H3C(O)CH3
  486060.2767  0.0521 -6.3015 3  893.8882872  5951614045446 9 2    5347 6 2      C-13-H3C(O)CH3
  486076.4787  0.0363 -5.4647 3  858.8663A64  595161404661057 2    66 858 2      C-13-H3C(O)CH3
  486076.4787  0.0363 -5.0321 3  858.8663A64  595161404661057 2    66 958 2      C-13-H3C(O)CH3
  486076.4787  0.0363 -5.0321 3  858.8663A64  59516140466 957 2    66 858 2      C-13-H3C(O)CH3
  486076.4787  0.0363 -5.4647 3  858.8663A64  59516140466 957 2    66 958 2      C-13-H3C(O)CH3
  486076.5860  0.0368 -4.9906 3  858.8665A64  59516140466 957 1    66 858 1      C-13-H3C(O)CH3
  486076.5860  0.0368 -4.9906 3  858.8665A64  595161404661057 1    66 958 1      C-13-H3C(O)CH3
  486076.5860  0.0368 -5.6024 3  858.8665A64  59516140466 957 1    66 958 1      C-13-H3C(O)CH3
  486076.5860  0.0368 -5.6024 3  858.8665A64  595161404661057 1    66 858 1      C-13-H3C(O)CH3
  486083.7481  0.0096 -6.1358 3   67.8720280  5951614041710 7 0    16 710 0      C-13-H3C(O)CH3
  486097.9409  0.0328 -5.9325 3  625.0131776  595161404482721 0    482424 0      C-13-H3C(O)CH3
  486113.7684  0.0589 -5.6605 3  512.0159348  595161404432816 4    422913 4      C-13-H3C(O)CH3
  486134.1927  0.0492 -6.3012 3  893.8935872  5951614045446 9 1    5347 7 1      C-13-H3C(O)CH3
  486136.8259  0.0337 -5.8170 3  858.8355532  595161404661057 4    66 958 4      C-13-H3C(O)CH3
  486136.8259  0.0337 -5.3153 3  858.8355532  595161404661057 4    66 858 4      C-13-H3C(O)CH3
  486136.8259  0.0337 -5.8170 3  858.8355532  59516140466 957 4    66 858 4      C-13-H3C(O)CH3
  486136.8259  0.0337 -5.3153 3  858.8355532  59516140466 957 4    66 958 4      C-13-H3C(O)CH3
  486136.9516  0.0337 -5.1964 3  858.8355532  595161404661057 3    66 858 3      C-13-H3C(O)CH3
  486136.9516  0.0337 -5.1964 3  858.8355532  59516140466 957 3    66 958 3      C-13-H3C(O)CH3
  486150.7383  0.0452 -6.3003 3  893.8720872  5951614045446 9 0    5347 6 0      C-13-H3C(O)CH3
  486150.7383  0.0452 -6.3003 3  893.8720872  5951614045446 8 0    5347 7 0      C-13-H3C(O)CH3
  486168.8900  0.1403 -6.1581 3  934.2421936  595161404583722 1    583425 1      C-13-H3C(O)CH3
  486174.7561  0.0104 -5.5508 3   86.9468296  5951614041815 4 1    1712 6 1      C-13-H3C(O)CH3
  486178.1601  0.1621 -6.1590 3  934.2425936  595161404583722 2    583425 2      C-13-H3C(O)CH3
  486186.2226  0.0109 -6.5165 3   64.8931264  5951614041613 4 0    15 8 7 0      C-13-H3C(O)CH3
  486221.6784  0.0810 -6.2964 3  734.2075824  595161404513517 2    513220 2      C-13-H3C(O)CH3
  486271.1034  0.0151 -6.0201 3   86.9760148  5951614041815 4 3    1712 6 3      C-13-H3C(O)CH3
  486297.1355  0.1073 -5.9578 3  791.0184872  595161404543024 2    533321 2      C-13-H3C(O)CH3
  486345.7123  0.0879 -5.9581 3  791.0181872  595161404543024 1    533321 1      C-13-H3C(O)CH3
  486399.6630  0.0119 -5.3172 3  115.8021344  5951614042115 6 1    2012 8 1      C-13-H3C(O)CH3
  486412.3850  0.0319 -6.1003 3  532.9389696  595161404433211 0    432914 0      C-13-H3C(O)CH3
  486415.5853  0.0100 -5.5702 3   86.9514296  5951614041815 4 2    1712 6 2      C-13-H3C(O)CH3
  486428.9673  0.0485 -6.3009 3  893.8842872  5951614045446 8 2    5347 7 2      C-13-H3C(O)CH3
  486460.5840  0.0159 -6.1027 3   86.9760148  5951614041815 3 3    1712 6 3      C-13-H3C(O)CH3
  486507.7238  0.0219 -4.8706 3  819.1307A48  59516140465 857 0    65 758 0      C-13-H3C(O)CH3
  486507.7238  0.0219 -6.5221 3  819.1307A48  59516140465 857 0    65 858 0      C-13-H3C(O)CH3
  486507.7238  0.0219 -4.8706 3  819.1307A48  59516140465 957 0    65 858 0      C-13-H3C(O)CH3
  486507.7238  0.0219 -6.5221 3  819.1307A48  59516140465 957 0    65 758 0      C-13-H3C(O)CH3
  486517.0056  0.1472 -6.1083 3  827.7820888  595161404553223 0    552926 0      C-13-H3C(O)CH3
  486522.2720  0.0393 -5.2172 3  819.0994A48  59516140465 857 1    65 758 1      C-13-H3C(O)CH3
  486522.2720  0.0393 -5.1128 3  819.0994A48  59516140465 857 1    65 858 1      C-13-H3C(O)CH3
  486522.2720  0.0393 -5.1128 3  819.0994A48  59516140465 957 1    65 758 1      C-13-H3C(O)CH3
  486522.2720  0.0393 -5.2172 3  819.0994A48  59516140465 957 1    65 858 1      C-13-H3C(O)CH3
  486522.4858  0.0391 -4.8632 3  819.0992A48  59516140465 857 2    65 858 2      C-13-H3C(O)CH3
  486522.4858  0.0391 -4.8632 3  819.0992A48  59516140465 957 2    65 758 2      C-13-H3C(O)CH3
  486536.7882  0.0300 -5.3261 3  819.0677524  59516140465 857 4    65 858 4      C-13-H3C(O)CH3
  486536.7882  0.0300 -5.3261 3  819.0677524  59516140465 957 4    65 758 4      C-13-H3C(O)CH3
  486536.7882  0.0300 -5.6635 3  819.0677524  59516140465 857 4    65 758 4      C-13-H3C(O)CH3
  486536.7882  0.0300 -5.6635 3  819.0677524  59516140465 957 4    65 858 4      C-13-H3C(O)CH3
  486537.0459  0.0300 -5.1708 3  819.0677524  59516140465 957 3    65 858 3      C-13-H3C(O)CH3
  486537.0459  0.0300 -5.1708 3  819.0677524  59516140465 857 3    65 758 3      C-13-H3C(O)CH3
  486576.8238  0.1168 -5.9092 3 1508.7528D04  595161404812458 1    812259 1      C-13-H3C(O)CH3
  486576.8238  0.1168 -5.9092 3 1508.7528D04  595161404812358 1    812359 1      C-13-H3C(O)CH3
  486577.0837  0.0932 -6.5700 3 1508.7757652  595161404812458 3    812359 3      C-13-H3C(O)CH3
  486577.0837  0.0932 -6.3825 3 1508.7757652  595161404812458 3    812259 3      C-13-H3C(O)CH3
  486577.0837  0.0932 -6.5700 3 1508.7757652  595161404812358 3    812259 3      C-13-H3C(O)CH3
  486577.0837  0.0932 -6.3825 3 1508.7757652  595161404812358 3    812359 3      C-13-H3C(O)CH3
  486577.1261  0.0932 -6.2204 3 1508.7757652  595161404812458 4    812359 4      C-13-H3C(O)CH3
  486577.1261  0.0932 -6.2204 3 1508.7757652  595161404812358 4    812259 4      C-13-H3C(O)CH3
  486582.1862  0.0159 -5.4855 3  115.8185172  5951614042115 6 4    2012 8 4      C-13-H3C(O)CH3
  486584.3783  0.1130 -6.1375 3 1508.7318D04  595161404812358 0    812359 0      C-13-H3C(O)CH3
  486584.3783  0.1130 -6.1944 3 1508.7318D04  595161404812358 0    812259 0      C-13-H3C(O)CH3
  486584.3783  0.1130 -6.1944 3 1508.7318D04  595161404812458 0    812359 0      C-13-H3C(O)CH3
  486584.3783  0.1130 -6.1375 3 1508.7318D04  595161404812458 0    812259 0      C-13-H3C(O)CH3
  486584.5918  0.1181 -5.8730 3 1508.7547D04  595161404812458 2    812259 2      C-13-H3C(O)CH3
  486584.5918  0.1181 -5.8730 3 1508.7547D04  595161404812358 2    812359 2      C-13-H3C(O)CH3
  486630.2838  0.0344 -6.4907 3  532.9357348  595161404433211 3    432914 3      C-13-H3C(O)CH3
  486637.9139  0.0320 -6.1413 3  532.9390696  595161404433211 1    432914 1      C-13-H3C(O)CH3
  486641.1105  0.0966 -6.4722 3  934.2479468  595161404583722 4    583425 4      C-13-H3C(O)CH3
  486648.3044  0.0293 -6.5031 3  466.7557324  595161404403110 3    402812 3      C-13-H3C(O)CH3
  486648.5808  0.0098 -5.9606 3  378.1156616  595161404381919 0    381622 0      C-13-H3C(O)CH3
  486652.5014  0.0114 -5.9611 3  378.0868616  595161404381919 2    381622 2      C-13-H3C(O)CH3
  486655.3721  0.0116 -5.3942 3  115.7917344  5951614042115 6 2    2012 8 2      C-13-H3C(O)CH3
  486655.5493  0.0302 -6.1198 3  532.9547696  595161404433211 2    432914 2      C-13-H3C(O)CH3
  486680.8006  0.0456 -5.2190 3  512.0128696  595161404432816 2    422913 2      C-13-H3C(O)CH3
  486699.7469  0.0313 -6.4069 3  532.9608348  595161404433211 4    432914 4      C-13-H3C(O)CH3
  486701.8043  0.0979 -5.9564 3  791.0107872  595161404543024 0    533321 0      C-13-H3C(O)CH3
  486708.2079  0.0109 -5.9603 3  378.0892616  595161404381919 1    381622 1      C-13-H3C(O)CH3
  486712.3549  0.0120 -6.2616 3  378.0604308  595161404381919 3    381622 3      C-13-H3C(O)CH3
  486712.5866  0.0121 -6.2616 3  378.0603308  595161404381919 4    381622 4      C-13-H3C(O)CH3
  486738.3728  0.0098 -5.9604 3  378.1156616  595161404382019 0    381722 0      C-13-H3C(O)CH3
  486745.9870  0.0114 -5.9610 3  378.0868616  595161404382019 2    381722 2      C-13-H3C(O)CH3
  486792.5442  0.0030 -3.8926 3  388.0807356 -59516140444 837 4    43 736 4      C-13-H3C(O)CH3
  486792.5442  0.0030 -3.8926 3  388.0807356 -59516140444 737 4    43 836 4      C-13-H3C(O)CH3
  486792.5500  0.0030 -4.1311 3  388.0807356  59516140444 737 4    43 736 4      C-13-H3C(O)CH3
  486792.5500  0.0030 -4.1311 3  388.0807356  59516140444 837 4    43 836 4      C-13-H3C(O)CH3
  486792.6142  0.0030 -3.6952 3  388.0807356  59516140444 837 3    43 836 3      C-13-H3C(O)CH3
  486792.6142  0.0030 -3.6952 3  388.0807356  59516140444 737 3    43 736 3      C-13-H3C(O)CH3
  486798.8183  0.0109 -5.9601 3  378.0892616  595161404382019 1    381722 1      C-13-H3C(O)CH3
  486799.4453  0.0314 -6.4956 3  466.7759324  5951614044031 9 4    402812 4      C-13-H3C(O)CH3
  486806.7195  0.0119 -6.2614 3  378.0604308  595161404382019 3    381722 3      C-13-H3C(O)CH3
  486806.7403  0.0120 -6.2614 3  378.0603308  595161404382019 4    381722 4      C-13-H3C(O)CH3
  486809.4442  0.0138 -5.2952 3  105.5737328  5951614042015 6 1    1912 7 1      C-13-H3C(O)CH3
  486821.5605  0.0270 -6.1976 3  466.7818648  5951614044031 9 2    402812 2      C-13-H3C(O)CH3
  486824.3082  0.0036 -4.1461 3  388.0995712 -59516140444 737 1    43 836 1      C-13-H3C(O)CH3
  486824.3082  0.0036 -3.4782 3  388.0995712 -59516140444 837 1    43 836 1      C-13-H3C(O)CH3
  486824.4493  0.0036 -4.1461 3  388.0995712  59516140444 837 1    43 736 1      C-13-H3C(O)CH3
  486824.4493  0.0036 -3.4782 3  388.0995712  59516140444 737 1    43 736 1      C-13-H3C(O)CH3
  486825.1247  0.0035 -3.3957 3  388.0989712 -59516140444 837 2    43 836 2      C-13-H3C(O)CH3
  486825.1247  0.0035 -5.7282 3  388.0989712 -59516140444 737 2    43 836 2      C-13-H3C(O)CH3
  486825.1487  0.0035 -3.3957 3  388.0989712  59516140444 737 2    43 736 2      C-13-H3C(O)CH3
  486825.1487  0.0035 -5.7282 3  388.0989712  59516140444 837 2    43 736 2      C-13-H3C(O)CH3
  486827.7898  0.0278 -6.1997 3  466.7425648  595161404403110 1    402813 1      C-13-H3C(O)CH3
  486832.4294  0.0269 -5.4718 3  698.5478792  595161404493713 0    483810 0      C-13-H3C(O)CH3
  486832.4543  0.0269 -5.4718 3  698.5478792  595161404493712 0    483811 0      C-13-H3C(O)CH3
  486856.9357  0.0028 -5.2327 3  388.1177712  59516140444 837 0    43 736 0      C-13-H3C(O)CH3
  486856.9357  0.0028 -5.5329 3  388.1177712  59516140444 737 0    43 836 0      C-13-H3C(O)CH3
  486856.9899  0.0028 -3.3968 3  388.1177712 -59516140444 837 0    43 836 0      C-13-H3C(O)CH3
  486856.9899  0.0028 -3.4000 3  388.1177712 -59516140444 737 0    43 736 0      C-13-H3C(O)CH3
  486871.7357  0.1612 -6.4566 3  934.2481468  595161404583722 3    583425 3      C-13-H3C(O)CH3
  486880.5169  0.0339 -6.1422 3  532.9035696  595161404433212 1    432915 1      C-13-H3C(O)CH3
  486911.1847  0.0267 -6.3119 3  779.8866516  59516140464 857 4    64 658 4      C-13-H3C(O)CH3
  486911.1847  0.0267 -5.1651 3  779.8866516  59516140464 857 4    64 758 4      C-13-H3C(O)CH3
  486911.1847  0.0267 -6.3119 3  779.8866516  59516140464 757 4    64 758 4      C-13-H3C(O)CH3
  486911.1847  0.0267 -5.1651 3  779.8866516  59516140464 757 4    64 658 4      C-13-H3C(O)CH3
  486911.5801  0.0266 -5.3122 3  779.8866516  59516140464 857 3    64 658 3      C-13-H3C(O)CH3
  486911.5801  0.0266 -5.6106 3  779.8866516  59516140464 857 3    64 758 3      C-13-H3C(O)CH3
  486911.5801  0.0266 -5.6106 3  779.8866516  59516140464 757 3    64 658 3      C-13-H3C(O)CH3
  486911.5801  0.0266 -5.3122 3  779.8866516  59516140464 757 3    64 758 3      C-13-H3C(O)CH3
  486936.7192  0.0297 -5.4721 3  698.5722792  595161404493712 1    483810 1      C-13-H3C(O)CH3
  486949.4233  0.0262 -6.1979 3  466.7703648  5951614044031 9 0    402812 0      C-13-H3C(O)CH3
  486957.6948  0.0409 -6.5446 3  779.9165A32  59516140464 757 1    64 758 1      C-13-H3C(O)CH3
  486957.6948  0.0409 -4.8427 3  779.9165A32  59516140464 857 1    64 758 1      C-13-H3C(O)CH3
  486957.6948  0.0409 -6.5446 3  779.9165A32  59516140464 857 1    64 658 1      C-13-H3C(O)CH3
  486957.6948  0.0409 -4.8427 3  779.9165A32  59516140464 757 1    64 658 1      C-13-H3C(O)CH3
  486958.3241  0.0408 -5.6084 3  779.9163A32  59516140464 857 2    64 658 2      C-13-H3C(O)CH3
  486958.3241  0.0408 -5.6084 3  779.9163A32  59516140464 757 2    64 758 2      C-13-H3C(O)CH3
  486958.3241  0.0408 -4.9141 3  779.9163A32  59516140464 757 2    64 658 2      C-13-H3C(O)CH3
  486958.3241  0.0408 -4.9141 3  779.9163A32  59516140464 857 2    64 758 2      C-13-H3C(O)CH3
  486964.7110  0.0871 -6.4232 3  734.2070824  595161404513516 1    513220 1      C-13-H3C(O)CH3
  486965.1226  0.0274 -6.1982 3  466.7631648  5951614044031 9 1    402812 1      C-13-H3C(O)CH3
  486996.9909  0.0277 -5.4714 3  698.5640792  595161404493713 2    483811 2      C-13-H3C(O)CH3
  487003.0955  0.0323 -6.5003 3  466.7222324  595161404403110 4    402813 4      C-13-H3C(O)CH3
  487004.3849  0.0223 -4.8683 3  779.9462A32  59516140464 757 0    64 658 0      C-13-H3C(O)CH3
  487004.3849  0.0223 -5.9548 3  779.9462A32  59516140464 857 0    64 658 0      C-13-H3C(O)CH3
  487004.3849  0.0223 -4.8683 3  779.9462A32  59516140464 857 0    64 758 0      C-13-H3C(O)CH3
  487004.3849  0.0223 -5.9548 3  779.9462A32  59516140464 757 0    64 758 0      C-13-H3C(O)CH3
  487007.1071  0.0272 -5.4718 3  698.5476792  595161404493713 1    483811 1      C-13-H3C(O)CH3
  487035.4565  0.0316 -6.0993 3  532.9181696  595161404433212 0    432915 0      C-13-H3C(O)CH3
  487045.7331  0.0261 -6.1978 3  466.7671648  595161404403110 0    402813 0      C-13-H3C(O)CH3
  487055.9647  0.0160 -5.4267 3  105.5919164  5951614042015 6 3    1912 7 3      C-13-H3C(O)CH3
  487091.1833  0.0072 -6.4508 3  200.3626472  595161404291118 2    29 821 2      C-13-H3C(O)CH3
  487091.2266  0.0072 -6.4508 3  200.3626472  595161404291218 2    29 921 2      C-13-H3C(O)CH3
  487100.4366  0.0340 -5.7727 3  698.5885396  595161404493712 3    483810 3      C-13-H3C(O)CH3
  487110.8570  0.0392 -6.0906 3  850.7536856  5951614045344 9 1    5245 7 1      C-13-H3C(O)CH3
  487113.2706  0.0572 -6.4945 3  655.5311776  595161404483415 1    483117 1      C-13-H3C(O)CH3
  487120.0167  0.0073 -6.4495 3  200.3638472  595161404291118 1    29 821 1      C-13-H3C(O)CH3
  487120.0576  0.0073 -6.4495 3  200.3638472  595161404291218 1    29 921 1      C-13-H3C(O)CH3
  487136.1626  0.0295 -5.4719 3  698.5762792  595161404493712 2    483810 2      C-13-H3C(O)CH3
  487148.4143  0.1005 -6.5445 3  734.2141412  595161404513517 3    513220 3      C-13-H3C(O)CH3
  487157.1268  0.0307 -6.5049 3  466.7424324  5951614044031 9 3    402813 3      C-13-H3C(O)CH3
  487162.9451  0.0419 -5.3277 3  511.9904348  595161404432816 3    422913 3      C-13-H3C(O)CH3
  487164.4704  0.0534 -6.3925 3  850.7697428  5951614045344 9 4    5245 7 4      C-13-H3C(O)CH3
  487170.2586  0.0293 -5.1224 3  511.9947696  595161404432816 1    422913 1      C-13-H3C(O)CH3
  487170.8562  0.0307 -5.7725 3  698.5638396  595161404493713 4    483811 4      C-13-H3C(O)CH3
  487178.2574  0.0278 -6.2008 3  466.7484648  595161404403110 2    402813 2      C-13-H3C(O)CH3
  487241.4857  0.0385 -5.7732 3  698.6005396  595161404493712 4    483810 4      C-13-H3C(O)CH3
  487259.0294  0.0244 -5.1907 3  741.2933508  59516140463 757 4    63 658 4      C-13-H3C(O)CH3
  487259.0294  0.0244 -5.1907 3  741.2933508  59516140463 657 4    63 558 4      C-13-H3C(O)CH3
  487259.0294  0.0244 -5.9350 3  741.2933508  59516140463 657 4    63 658 4      C-13-H3C(O)CH3
  487259.0294  0.0244 -5.9350 3  741.2933508  59516140463 757 4    63 558 4      C-13-H3C(O)CH3
  487259.5451  0.0242 -5.7966 3  741.2933508  59516140463 657 3    63 658 3      C-13-H3C(O)CH3
  487259.5451  0.0242 -5.2212 3  741.2933508  59516140463 657 3    63 558 3      C-13-H3C(O)CH3
  487259.5451  0.0242 -5.7966 3  741.2933508  59516140463 757 3    63 558 3      C-13-H3C(O)CH3
  487259.5451  0.0242 -5.2212 3  741.2933508  59516140463 757 3    63 658 3      C-13-H3C(O)CH3
  487262.9991  0.1119 -5.8587 3 1460.2711C88  595161404802258 0    802159 0      C-13-H3C(O)CH3
  487262.9991  0.1119 -6.5598 3 1460.2711C88  595161404802358 0    802159 0      C-13-H3C(O)CH3
  487262.9991  0.1119 -5.8587 3 1460.2711C88  595161404802358 0    802259 0      C-13-H3C(O)CH3
  487262.9991  0.1119 -6.5598 3 1460.2711C88  595161404802258 0    802259 0      C-13-H3C(O)CH3
  487269.6824  0.1211 -5.7872 3 1460.2918C88  595161404802258 1    802259 1      C-13-H3C(O)CH3
  487269.6824  0.1211 -5.7872 3 1460.2918C88  595161404802358 1    802159 1      C-13-H3C(O)CH3
  487271.7799  0.0362 -6.0900 3  850.7214856  5951614045344 9 0    5245 7 0      C-13-H3C(O)CH3
  487271.7799  0.0362 -6.0900 3  850.7214856  595161404534410 0    5245 8 0      C-13-H3C(O)CH3
  487272.0911  0.0547 -6.0671 3  655.5272776  595161404483414 0    483117 0      C-13-H3C(O)CH3
  487272.3820  0.0350 -6.1221 3  532.9057696  595161404433212 2    432915 2      C-13-H3C(O)CH3
  487273.9542  0.0137 -5.6224 3   95.9645312  5951614041915 5 1    1812 6 1      C-13-H3C(O)CH3
  487277.4595  0.1219 -6.4030 3 1460.2932C88  595161404802258 2    802159 2      C-13-H3C(O)CH3
  487277.4595  0.1219 -6.4030 3 1460.2932C88  595161404802358 2    802259 2      C-13-H3C(O)CH3
  487277.4595  0.1219 -5.8981 3 1460.2932C88  595161404802358 2    802159 2      C-13-H3C(O)CH3
  487277.4595  0.1219 -5.8981 3 1460.2932C88  595161404802258 2    802259 2      C-13-H3C(O)CH3
  487279.1718  0.0594 -6.5491 3  655.5361776  595161404483415 2    483117 2      C-13-H3C(O)CH3
  487284.2037  0.0903 -6.1380 3 1460.3139644  595161404802358 3    802259 3      C-13-H3C(O)CH3
  487284.2037  0.0903 -6.1380 3 1460.3139644  595161404802258 3    802159 3      C-13-H3C(O)CH3
  487284.2714  0.0904 -6.3151 3 1460.3139644  595161404802358 4    802259 4      C-13-H3C(O)CH3
  487284.2714  0.0904 -6.4612 3 1460.3139644  595161404802258 4    802259 4      C-13-H3C(O)CH3
  487284.2714  0.0904 -6.3151 3 1460.3139644  595161404802258 4    802159 4      C-13-H3C(O)CH3
  487284.2714  0.0904 -6.4612 3 1460.3139644  595161404802358 4    802159 4      C-13-H3C(O)CH3
  487300.5653  0.0417 -6.4105 3  532.8848348  595161404433212 4    432915 4      C-13-H3C(O)CH3
  487310.2764  0.0332 -5.7729 3  698.5761396  595161404493713 3    483811 3      C-13-H3C(O)CH3
  487310.9740  0.0775 -5.8283 3  728.1565840  595161404522924 0    513021 0      C-13-H3C(O)CH3
  487324.3571  0.0429 -6.0909 3  850.7376856  595161404534410 2    5245 7 2      C-13-H3C(O)CH3
  487349.3874  0.0426 -6.0906 3  850.7371856  595161404534410 1    5245 8 1      C-13-H3C(O)CH3
  487371.9257  0.0359 -6.4915 3  532.9099348  595161404433212 3    432915 3      C-13-H3C(O)CH3
  487375.5501  0.1268 -6.4267 3  734.2075824  595161404513516 2    513220 2      C-13-H3C(O)CH3
  487383.7343  0.0069 -6.4484 3  200.3653472  595161404291118 0    29 821 0      C-13-H3C(O)CH3
  487383.7758  0.0069 -6.4484 3  200.3653472  595161404291218 0    29 921 0      C-13-H3C(O)CH3
  487384.0875  0.0400 -4.9279 3  741.3187A16  59516140463 757 1    63 558 1      C-13-H3C(O)CH3
  487384.0875  0.0400 -5.4666 3  741.3187A16  59516140463 657 1    63 558 1      C-13-H3C(O)CH3
  487384.0875  0.0400 -4.9279 3  741.3187A16  59516140463 657 1    63 658 1      C-13-H3C(O)CH3
  487384.0875  0.0400 -5.4666 3  741.3187A16  59516140463 757 1    63 658 1      C-13-H3C(O)CH3
  487385.1277  0.0398 -4.8316 3  741.3184A16  59516140463 657 2    63 558 2      C-13-H3C(O)CH3
  487385.1277  0.0398 -6.3151 3  741.3184A16  59516140463 657 2    63 658 2      C-13-H3C(O)CH3
  487385.1277  0.0398 -4.8316 3  741.3184A16  59516140463 757 2    63 658 2      C-13-H3C(O)CH3
  487385.1277  0.0398 -6.3151 3  741.3184A16  59516140463 757 2    63 558 2      C-13-H3C(O)CH3
  487387.9437  0.0134 -5.2850 3  105.5658328  5951614042015 6 2    1912 7 2      C-13-H3C(O)CH3
  487403.5764  0.0542 -6.3926 3  850.7532428  595161404534410 3    5245 8 3      C-13-H3C(O)CH3
  487439.9907  0.0150 -5.9562 3  105.5919164  5951614042015 5 3    1912 7 3      C-13-H3C(O)CH3
  487440.7384  0.0490 -6.3918 3  850.7679428  5951614045344 9 3    5245 7 3      C-13-H3C(O)CH3
  487469.6993  0.0244 -4.4991 3  198.9855220  5951614042719 9 4    2618 8 4      C-13-H3C(O)CH3
  487472.5415  0.1245 -6.3299 3  933.9416952  595161404593228 0    583325 0      C-13-H3C(O)CH3
  487509.5209  0.0226 -4.9297 3  741.3437A16  59516140463 657 0    63 658 0      C-13-H3C(O)CH3
  487509.5209  0.0226 -5.4596 3  741.3437A16  59516140463 757 0    63 658 0      C-13-H3C(O)CH3
  487509.5209  0.0226 -4.9297 3  741.3437A16  59516140463 757 0    63 558 0      C-13-H3C(O)CH3
  487509.5209  0.0226 -5.4596 3  741.3437A16  59516140463 657 0    63 558 0      C-13-H3C(O)CH3
  487530.6609  0.0178 -4.8226 3  511.9938696  595161404432816 0    422913 0      C-13-H3C(O)CH3
  487579.2770  0.0243 -5.1750 3  703.2891500  59516140462 557 4    62 558 4      C-13-H3C(O)CH3
  487579.2770  0.0243 -5.1750 3  703.2891500  59516140462 657 4    62 458 4      C-13-H3C(O)CH3
  487579.2770  0.0243 -6.0100 3  703.2891500  59516140462 657 4    62 558 4      C-13-H3C(O)CH3
  487579.2770  0.0243 -6.0100 3  703.2891500  59516140462 557 4    62 458 4      C-13-H3C(O)CH3
  487579.8581  0.0240 -5.2521 3  703.2891500  59516140462 657 3    62 458 3      C-13-H3C(O)CH3
  487579.8581  0.0240 -5.6854 3  703.2891500  59516140462 657 3    62 558 3      C-13-H3C(O)CH3
  487579.8581  0.0240 -5.2521 3  703.2891500  59516140462 557 3    62 558 3      C-13-H3C(O)CH3
  487579.8581  0.0240 -5.6854 3  703.2891500  59516140462 557 3    62 458 3      C-13-H3C(O)CH3
  487600.3270  0.0407 -6.0902 3  850.7357856  5951614045344 9 2    5245 8 2      C-13-H3C(O)CH3
  487600.6008  0.0300 -5.5494 3  511.9758348  595161404432816 3    422914 3      C-13-H3C(O)CH3
  487664.0433  0.0169 -5.7928 3   95.9817156  5951614041915 5 3    1812 6 3      C-13-H3C(O)CH3
  487678.9152  0.0538 -6.3918 3  850.7514428  595161404534410 4    5245 8 4      C-13-H3C(O)CH3
  487691.8751  0.0076 -3.9944 3  162.9302408  595161404251510 2    241411 2      C-13-H3C(O)CH3
  487741.6125  0.0430 -5.4532 3  462.0659332  595161404412615 4    402713 4      C-13-H3C(O)CH3
  487752.2423  0.0073 -3.9940 3  162.9332408 -595161404251510 0    241411 0      C-13-H3C(O)CH3
  487773.0729  0.0133 -5.6048 3   95.9602312  5951614041915 5 2    1812 6 2      C-13-H3C(O)CH3
  487802.7219  0.0368 -5.6822 3  703.3063A00  59516140462 557 1    62 458 1      C-13-H3C(O)CH3
  487802.7219  0.0368 -5.6822 3  703.3063A00  59516140462 657 1    62 558 1      C-13-H3C(O)CH3
  487802.7219  0.0368 -4.8776 3  703.3063A00  59516140462 557 1    62 558 1      C-13-H3C(O)CH3
  487802.7219  0.0368 -4.8776 3  703.3063A00  59516140462 657 1    62 458 1      C-13-H3C(O)CH3
  487804.0360  0.0359 -5.2325 3  703.3060A00  59516140462 557 2    62 458 2      C-13-H3C(O)CH3
  487804.0360  0.0359 -5.0231 3  703.3060A00  59516140462 557 2    62 558 2      C-13-H3C(O)CH3
  487804.0360  0.0359 -5.2325 3  703.3060A00  59516140462 657 2    62 558 2      C-13-H3C(O)CH3
  487804.0360  0.0359 -5.0231 3  703.3060A00  59516140462 657 2    62 458 2      C-13-H3C(O)CH3
  487807.4543  0.0089 -5.4614 3   86.9410296  5951614041815 3 0    1712 6 0      C-13-H3C(O)CH3
  487828.4728  0.0695 -5.8243 3  728.1349840  595161404522924 1    513021 1      C-13-H3C(O)CH3
  487830.6823  0.0045 -4.0533 3  304.6071276  595161404341816 3    331915 3      C-13-H3C(O)CH3
  487833.1962  0.0038 -4.0533 3  304.6071276  595161404341816 4    331915 4      C-13-H3C(O)CH3
  487845.6863  0.0045 -3.5074 3  189.8806204 -5951614042523 2 4    2422 2 4      C-13-H3C(O)CH3
  487855.7986  0.1161 -6.3270 3  933.9366952  595161404593228 1    583325 1      C-13-H3C(O)CH3
  487860.4116  0.1735 -6.3267 3  933.9375952  595161404593228 2    583325 2      C-13-H3C(O)CH3
  487870.0053  0.0041 -3.7527 3  304.6269552  595161404341816 2    331915 2      C-13-H3C(O)CH3
  487870.8447  0.0281 -5.5339 3  665.8752492  59516140461 457 4    61 458 4      C-13-H3C(O)CH3
  487870.8447  0.0281 -5.3507 3  665.8752492  59516140461 457 4    61 358 4      C-13-H3C(O)CH3
  487870.8447  0.0281 -5.3507 3  665.8752492  59516140461 557 4    61 458 4      C-13-H3C(O)CH3
  487870.8447  0.0281 -5.5339 3  665.8752492  59516140461 557 4    61 358 4      C-13-H3C(O)CH3
  487871.3784  0.0275 -5.1934 3  665.8752492  59516140461 557 3    61 458 3      C-13-H3C(O)CH3
  487871.3784  0.0275 -5.1934 3  665.8752492  59516140461 457 3    61 358 3      C-13-H3C(O)CH3
  487871.3784  0.0275 -6.0095 3  665.8752492  59516140461 457 3    61 458 3      C-13-H3C(O)CH3
  487871.3784  0.0275 -6.0095 3  665.8752492  59516140461 557 3    61 358 3      C-13-H3C(O)CH3
  487875.1086  0.0238 -5.0448 3  511.9730696  595161404432816 2    422914 2      C-13-H3C(O)CH3
  487878.9981  0.0029 -4.8887 3  393.7197364 -59516140445 739 4    44 638 4      C-13-H3C(O)CH3
  487878.9981  0.0029 -3.7767 3  393.7197364 -59516140445 739 3    44 738 3      C-13-H3C(O)CH3
  487878.9981  0.0029 -3.7058 3  393.7197364 -59516140445 639 4    44 638 4      C-13-H3C(O)CH3
  487878.9981  0.0029 -3.7058 3  393.7197364 -59516140445 739 4    44 738 4      C-13-H3C(O)CH3
  487878.9981  0.0029 -4.3706 3  393.7197364 -59516140445 739 3    44 638 3      C-13-H3C(O)CH3
  487878.9981  0.0029 -4.8887 3  393.7197364 -59516140445 639 4    44 738 4      C-13-H3C(O)CH3
  487878.9981  0.0029 -3.7767 3  393.7197364 -59516140445 639 3    44 638 3      C-13-H3C(O)CH3
  487878.9981  0.0029 -4.3706 3  393.7197364 -59516140445 639 3    44 738 3      C-13-H3C(O)CH3
  487898.1952  0.0038 -3.7520 3  304.6328552  595161404341816 1    331915 1      C-13-H3C(O)CH3
  487909.1701  0.0090 -4.2974 3  162.9318204  595161404251510 3    241411 3      C-13-H3C(O)CH3
  487912.7222  0.0035 -5.7516 3  393.7344728  59516140445 739 1    44 638 1      C-13-H3C(O)CH3
  487912.7222  0.0035 -3.3790 3  393.7344728  59516140445 639 1    44 638 1      C-13-H3C(O)CH3
  487912.7839  0.0035 -3.3790 3  393.7344728 -59516140445 739 1    44 738 1      C-13-H3C(O)CH3
  487912.7839  0.0035 -5.7516 3  393.7344728 -59516140445 639 1    44 738 1      C-13-H3C(O)CH3
  487913.2376  0.0034 -3.5650 3  393.7339728  59516140445 739 2    44 738 2      C-13-H3C(O)CH3
  487913.2376  0.0034 -3.5650 3  393.7339728  59516140445 639 2    44 638 2      C-13-H3C(O)CH3
  487913.3635  0.0034 -3.8316 3  393.7339728 -59516140445 739 2    44 638 2      C-13-H3C(O)CH3
  487913.3635  0.0034 -3.8316 3  393.7339728 -59516140445 639 2    44 738 2      C-13-H3C(O)CH3
  487917.1349  0.1106 -5.9987 3 1412.3835C72  595161404792258 0    792059 0      C-13-H3C(O)CH3
  487917.1349  0.1106 -5.9991 3 1412.3835C72  595161404792258 0    792159 0      C-13-H3C(O)CH3
  487917.1349  0.1106 -5.9987 3 1412.3835C72  595161404792158 0    792159 0      C-13-H3C(O)CH3
  487917.1349  0.1106 -5.9991 3 1412.3835C72  595161404792158 0    792059 0      C-13-H3C(O)CH3
  487921.2444  0.0120 -4.2975 3  162.9316204  595161404251510 4    241411 4      C-13-H3C(O)CH3
  487923.3629  0.0156 -5.8870 3   95.9817156  5951614041915 4 3    1812 6 3      C-13-H3C(O)CH3
  487937.2929  0.0035 -3.7524 3  304.6524552  595161404341816 0    331915 0      C-13-H3C(O)CH3
  487939.5265  0.1242 -5.8177 3 1412.4031C72  595161404792158 1    792159 1      C-13-H3C(O)CH3
  487939.5265  0.1242 -5.8177 3 1412.4031C72  595161404792258 1    792059 1      C-13-H3C(O)CH3
  487939.5265  0.1242 -6.3157 3 1412.4031C72  595161404792258 1    792159 1      C-13-H3C(O)CH3
  487939.5265  0.1242 -6.3157 3 1412.4031C72  595161404792158 1    792059 1      C-13-H3C(O)CH3
  487946.8609  0.0027 -4.2787 3  393.7485728 -59516140445 739 0    44 638 0      C-13-H3C(O)CH3
  487946.8609  0.0027 -4.2787 3  393.7485728 -59516140445 639 0    44 738 0      C-13-H3C(O)CH3
  487946.8676  0.0027 -3.4353 3  393.7485728  59516140445 739 0    44 738 0      C-13-H3C(O)CH3
  487946.8676  0.0027 -3.4353 3  393.7485728  59516140445 639 0    44 638 0      C-13-H3C(O)CH3
  487947.0093  0.1247 -5.8834 3 1412.4042C72  595161404792158 2    792159 2      C-13-H3C(O)CH3
  487947.0093  0.1247 -5.8834 3 1412.4042C72  595161404792258 2    792059 2      C-13-H3C(O)CH3
  487947.0093  0.1247 -6.1567 3 1412.4042C72  595161404792258 2    792159 2      C-13-H3C(O)CH3
  487947.0093  0.1247 -6.1567 3 1412.4042C72  595161404792158 2    792059 2      C-13-H3C(O)CH3
  487964.8753  0.0195 -5.1246 3  511.9682696  595161404432816 1    422914 1      C-13-H3C(O)CH3
  487969.4766  0.0875 -6.0105 3 1412.4237636  595161404792258 3    792059 3      C-13-H3C(O)CH3
  487969.4766  0.0875 -6.0105 3 1412.4237636  595161404792158 3    792159 3      C-13-H3C(O)CH3
  487969.5706  0.0876 -6.0135 3 1412.4237636  595161404792258 4    792059 4      C-13-H3C(O)CH3
  487969.5706  0.0876 -6.0135 3 1412.4237636  595161404792158 4    792159 4      C-13-H3C(O)CH3
  487971.3573  0.0079 -3.9960 3  162.9347408  595161404251510 1    241411 1      C-13-H3C(O)CH3
  487993.3299  0.0372 -5.3077 3  462.0732664  595161404412615 2    402713 2      C-13-H3C(O)CH3
  487993.3313  0.0621 -6.2699 3  655.5311776  595161404483414 1    483117 1      C-13-H3C(O)CH3
  488026.6084  0.0224 -4.8140 3  703.3232A00  59516140462 557 0    62 558 0      C-13-H3C(O)CH3
  488026.6084  0.0224 -4.8140 3  703.3232A00  59516140462 657 0    62 458 0      C-13-H3C(O)CH3
  488029.7690  0.1265 -5.8223 3  728.1268840  595161404522924 2    513021 2      C-13-H3C(O)CH3
  488037.5829  0.0041 -3.5070 3  189.8340204 -5951614042523 3 3    2422 3 3      C-13-H3C(O)CH3
  488050.5892  0.0038 -3.2060 3  189.9011408 -5951614042523 2 1    2422 2 1      C-13-H3C(O)CH3
  488066.9493  0.0038 -3.2060 3  189.9191408 -5951614042523 2 2    2422 2 2      C-13-H3C(O)CH3
  488079.5606  0.0265 -5.2717 3  511.9503348  595161404432816 4    422914 4      C-13-H3C(O)CH3
  488101.9505  0.0042 -3.5068 3  189.8429204 -5951614042523 2 3    2422 2 3      C-13-H3C(O)CH3
  488132.6382  0.0366 -5.1782 3  629.0528484  59516140460 357 4    60 358 4      C-13-H3C(O)CH3
  488132.6382  0.0366 -5.1782 3  629.0528484  59516140460 457 4    60 258 4      C-13-H3C(O)CH3
  488132.9270  0.0358 -5.5736 3  629.0527484  59516140460 457 3    60 358 3      C-13-H3C(O)CH3
  488132.9270  0.0358 -5.3995 3  629.0527484  59516140460 457 3    60 258 3      C-13-H3C(O)CH3
  488132.9270  0.0358 -5.3995 3  629.0527484  59516140460 357 3    60 358 3      C-13-H3C(O)CH3
  488132.9270  0.0358 -5.5736 3  629.0527484  59516140460 357 3    60 258 3      C-13-H3C(O)CH3
  488157.7643  0.0367 -6.0451 3  462.0503332  595161404412615 3    402713 3      C-13-H3C(O)CH3
  488198.3151  0.0140 -3.9076 3  198.9891440  5951614042719 9 1    2618 8 1      C-13-H3C(O)CH3
  488214.9032  0.0343 -4.8612 3  665.8801984  59516140461 457 1    61 458 1      C-13-H3C(O)CH3
  488214.9032  0.0343 -4.8612 3  665.8801984  59516140461 557 1    61 358 1      C-13-H3C(O)CH3
  488214.9032  0.0343 -5.9885 3  665.8801984  59516140461 557 1    61 458 1      C-13-H3C(O)CH3
  488214.9032  0.0343 -5.9885 3  665.8801984  59516140461 457 1    61 358 1      C-13-H3C(O)CH3
  488216.1870  0.0318 -4.8302 3  665.8797984  59516140461 557 2    61 358 2      C-13-H3C(O)CH3
  488216.1870  0.0318 -4.8302 3  665.8797984  59516140461 457 2    61 458 2      C-13-H3C(O)CH3
  488228.2918  0.0176 -5.1891 3  547.0343728  595161404452620 0    442717 0      C-13-H3C(O)CH3
  488258.0568  0.0036 -3.2056 3  189.8725408 -5951614042523 3 2    2422 3 2      C-13-H3C(O)CH3
  488271.8875  0.0035 -3.2055 3  189.9395408 -5951614042523 2 0    2422 3 0      C-13-H3C(O)CH3
  488271.8875  0.0035 -3.2055 3  189.9395408 -5951614042523 3 0    2422 2 0      C-13-H3C(O)CH3
  488279.5889  0.0391 -5.3298 3  486.7001340  595161404422715 4    412813 4      C-13-H3C(O)CH3
  488292.9078  0.0043 -3.5064 3  189.7964204 -5951614042523 3 4    2422 3 4      C-13-H3C(O)CH3
  488306.1699  0.0036 -3.2054 3  189.8634408 -5951614042523 3 1    2422 3 1      C-13-H3C(O)CH3
  488330.3671  0.0694 -6.2418 3  655.5361776  595161404483414 2    483117 2      C-13-H3C(O)CH3
  488339.5752  0.0187 -5.1867 3  547.0147728  595161404452620 1    442717 1      C-13-H3C(O)CH3
  488363.3096  0.0494 -5.3614 3  592.8231476  59516140459 357 3    59 258 3      C-13-H3C(O)CH3
  488363.3096  0.0494 -5.3614 3  592.8231476  59516140459 257 3    59 158 3      C-13-H3C(O)CH3
  488363.3096  0.0494 -6.0152 3  592.8231476  59516140459 257 3    59 258 3      C-13-H3C(O)CH3
  488363.3096  0.0494 -6.0152 3  592.8231476  59516140459 357 3    59 158 3      C-13-H3C(O)CH3
  488363.5825  0.0502 -5.2906 3  592.8231476  59516140459 257 4    59 158 4      C-13-H3C(O)CH3
  488363.5825  0.0502 -5.2906 3  592.8231476  59516140459 357 4    59 258 4      C-13-H3C(O)CH3
  488414.5189  0.0152 -6.1681 3   86.9468296  5951614041815 3 1    1712 6 1      C-13-H3C(O)CH3
  488417.8339  0.0098 -3.8938 3  308.1163552  595161404341915 2    332014 2      C-13-H3C(O)CH3
  488445.0620  0.0126 -4.1939 3  308.0969276  595161404341915 3    332014 3      C-13-H3C(O)CH3
  488453.7686  0.0100 -4.1938 3  308.0968276  595161404341915 4    332014 4      C-13-H3C(O)CH3
  488466.9283  0.0145 -6.1051 3   86.9514296  5951614041815 3 2    1712 6 2      C-13-H3C(O)CH3
  488521.0111  0.0030 -3.9093 3  328.2387292  595161404361620 4    351719 4      C-13-H3C(O)CH3
  488521.1631  0.0030 -3.9093 3  328.2388292  595161404361620 3    351719 3      C-13-H3C(O)CH3
  488526.2938  0.0030 -3.9092 3  328.2386292  595161404361720 4    351619 4      C-13-H3C(O)CH3
  488526.4652  0.0030 -3.9092 3  328.2386292  595161404361720 3    351619 3      C-13-H3C(O)CH3
  488540.5994  0.0032 -3.6082 3  328.2662584 -595161404361620 1    351719 1      C-13-H3C(O)CH3
  488540.6519  0.1226 -6.1193 3  728.1054420  595161404522924 4    513021 4      C-13-H3C(O)CH3
  488545.5193  0.0032 -3.6082 3  328.2660584 -595161404361720 1    351619 1      C-13-H3C(O)CH3
  488547.9197  0.1084 -5.7903 3 1365.0700C56  595161404782158 0    782059 0      C-13-H3C(O)CH3
  488547.9197  0.1084 -6.1031 3 1365.0700C56  595161404782158 0    781959 0      C-13-H3C(O)CH3
  488547.9197  0.1084 -5.7903 3 1365.0700C56  595161404782058 0    781959 0      C-13-H3C(O)CH3
  488547.9197  0.1084 -6.1031 3 1365.0700C56  595161404782058 0    782059 0      C-13-H3C(O)CH3
  488549.5660  0.0218 -5.6473 3  462.0591664  595161404412615 1    402713 1      C-13-H3C(O)CH3
  488551.1073  0.0032 -3.6083 3  328.2628584 -595161404361620 2    351719 2      C-13-H3C(O)CH3
  488553.9096  0.1229 -6.1192 3  728.1050420  595161404522924 3    513021 3      C-13-H3C(O)CH3
  488556.1440  0.0032 -3.6083 3  328.2627584 -595161404361720 2    351619 2      C-13-H3C(O)CH3
  488559.2036  0.0240 -5.7517 3  665.8846984  59516140461 557 0    61 358 0      C-13-H3C(O)CH3
  488559.2036  0.0240 -4.8845 3  665.8846984  59516140461 557 0    61 458 0      C-13-H3C(O)CH3
  488559.2036  0.0240 -4.8845 3  665.8846984  59516140461 457 0    61 358 0      C-13-H3C(O)CH3
  488559.2036  0.0240 -5.7517 3  665.8846984  59516140461 457 0    61 458 0      C-13-H3C(O)CH3
  488560.2890  0.0361 -5.1211 3  486.7019680  595161404422715 2    412813 2      C-13-H3C(O)CH3
  488561.3425  0.0688 -5.4988 3  557.1874468  59516140458 157 3    58 058 3      C-13-H3C(O)CH3
  488561.3425  0.0688 -5.4988 3  557.1874468  59516140458 257 3    58 158 3      C-13-H3C(O)CH3
  488562.6586  0.0694 -5.6933 3  557.1874468  59516140458 257 4    58 158 4      C-13-H3C(O)CH3
  488562.6586  0.0694 -5.9389 3  557.1874468  59516140458 257 4    58 058 4      C-13-H3C(O)CH3
  488562.6586  0.0694 -5.9389 3  557.1874468  59516140458 157 4    58 158 4      C-13-H3C(O)CH3
  488562.6586  0.0694 -5.6933 3  557.1874468  59516140458 157 4    58 058 4      C-13-H3C(O)CH3
  488567.2046  0.0307 -5.1827 3  547.0029728  595161404452620 2    442717 2      C-13-H3C(O)CH3
  488568.8143  0.0226 -6.4743 3  384.3028600  595161404372611 0    372116 0      C-13-H3C(O)CH3
  488570.0936  0.0027 -3.6083 3  328.2902584 -595161404361620 0    351719 0      C-13-H3C(O)CH3
  488572.4322  0.0122 -3.8876 3  198.9685220  5951614042719 9 3    2618 8 3      C-13-H3C(O)CH3
  488575.2749  0.0027 -3.6083 3  328.2901584 -595161404361720 0    351619 0      C-13-H3C(O)CH3
  488582.5380  0.0082 -3.8929 3  308.1407552  595161404341915 0    332014 0      C-13-H3C(O)CH3
  488587.1236  0.1251 -6.2781 3 1365.0877C56  595161404782058 1    781959 1      C-13-H3C(O)CH3
  488587.1236  0.1251 -5.7252 3 1365.0877C56  595161404782158 1    781959 1      C-13-H3C(O)CH3
  488587.1236  0.1251 -6.2781 3 1365.0877C56  595161404782158 1    782059 1      C-13-H3C(O)CH3
  488587.1236  0.1251 -5.7252 3 1365.0877C56  595161404782058 1    782059 1      C-13-H3C(O)CH3
  488594.0495  0.1254 -5.8974 3 1365.0885C56  595161404782058 2    781959 2      C-13-H3C(O)CH3
  488594.0495  0.1254 -5.9418 3 1365.0885C56  595161404782158 2    781959 2      C-13-H3C(O)CH3
  488594.0495  0.1254 -5.9418 3 1365.0885C56  595161404782058 2    782059 2      C-13-H3C(O)CH3
  488594.0495  0.1254 -5.8974 3 1365.0885C56  595161404782158 2    782059 2      C-13-H3C(O)CH3
  488596.8094  0.0129 -3.7117 3  198.9879440  5951614042719 9 2    2618 8 2      C-13-H3C(O)CH3
  488609.8039  0.0096 -3.8919 3  308.1214552  595161404341915 1    332014 1      C-13-H3C(O)CH3
  488621.9638  0.0418 -4.8748 3  629.0404968  59516140460 457 1    60 258 1      C-13-H3C(O)CH3
  488621.9638  0.0418 -4.8748 3  629.0404968  59516140460 357 1    60 358 1      C-13-H3C(O)CH3
  488622.7097  0.0375 -4.8979 3  629.0400968  59516140460 357 2    60 258 2      C-13-H3C(O)CH3
  488622.7097  0.0375 -6.1581 3  629.0400968  59516140460 357 2    60 358 2      C-13-H3C(O)CH3
  488622.7097  0.0375 -6.1581 3  629.0400968  59516140460 457 2    60 258 2      C-13-H3C(O)CH3
  488622.7097  0.0375 -4.8979 3  629.0400968  59516140460 457 2    60 358 2      C-13-H3C(O)CH3
  488633.3440  0.0845 -5.9569 3 1365.1061628  595161404782158 3    782059 3      C-13-H3C(O)CH3
  488633.3440  0.0845 -5.9569 3 1365.1061628  595161404782058 3    781959 3      C-13-H3C(O)CH3
  488633.4650  0.0845 -6.3637 3 1365.1062628  595161404782158 4    782059 4      C-13-H3C(O)CH3
  488633.4650  0.0845 -6.1122 3 1365.1062628  595161404782158 4    781959 4      C-13-H3C(O)CH3
  488633.4650  0.0845 -6.1122 3 1365.1062628  595161404782058 4    782059 4      C-13-H3C(O)CH3
  488633.4650  0.0845 -6.3637 3 1365.1062628  595161404782058 4    781959 4      C-13-H3C(O)CH3
  488650.0237  0.0039 -3.9070 3  195.9466220 -5951614042718 9 3    261710 3      C-13-H3C(O)CH3
  488661.1285  0.0314 -5.4816 3  546.9838364  595161404452620 4    442717 4      C-13-H3C(O)CH3
  488686.2913  0.0029 -3.9621 3  316.7874284  595161404351718 4    341817 4      C-13-H3C(O)CH3
  488686.3590  0.0029 -3.9621 3  316.7874284  595161404351718 3    341817 3      C-13-H3C(O)CH3
  488687.8284  0.0344 -5.4812 3  546.9831364  595161404452620 3    442717 3      C-13-H3C(O)CH3
  488702.0908  0.0101 -5.0184 3  105.5467328  5951614042015 6 0    1912 7 0      C-13-H3C(O)CH3
  488711.6615  0.0030 -3.6611 3  316.8143568 -595161404351718 1    341817 1      C-13-H3C(O)CH3
  488714.0966  0.0036 -3.6054 3  195.9573440 -5951614042718 9 2    261710 2      C-13-H3C(O)CH3
  488725.9573  0.0031 -3.6613 3  316.8097568 -595161404351718 2    341817 2      C-13-H3C(O)CH3
  488751.1719  0.0026 -3.6612 3  316.8365568 -595161404351718 0    341817 0      C-13-H3C(O)CH3
  488754.3233  0.0099 -5.7502 3  126.4923180  5951614042215 7 4    2112 9 4      C-13-H3C(O)CH3
  488758.1298  0.0032 -3.6009 3  195.9692440 -5951614042718 9 0    261710 0      C-13-H3C(O)CH3
  488785.8478  0.0085 -5.8302 3  126.4806360  5951614042215 7 1    2112 9 1      C-13-H3C(O)CH3
  488796.4104  0.0041 -3.6160 3  195.9571440 -5951614042718 9 1    261710 1      C-13-H3C(O)CH3
  488800.1948  0.0136 -5.3370 3  105.5737328  5951614042015 5 1    1912 7 1      C-13-H3C(O)CH3
  488800.6152  0.0376 -5.7210 3  486.6784340  595161404422715 3    412813 3      C-13-H3C(O)CH3
  488817.0411  0.0368 -5.8940 3  808.9156840  595161404524210 1    5143 8 1      C-13-H3C(O)CH3
  488854.2931  0.0076 -3.9354 3  195.9437220  5951614042718 9 4    261710 4      C-13-H3C(O)CH3
  488864.8327  0.0032 -3.8702 3  339.0193300  595161404371522 4    361621 4      C-13-H3C(O)CH3
  488864.9158  0.0032 -3.8702 3  339.0193300  595161404371622 4    361521 4      C-13-H3C(O)CH3
  488864.9479  0.0032 -3.8702 3  339.0193300  595161404371522 3    361621 3      C-13-H3C(O)CH3
  488865.0316  0.0032 -3.8702 3  339.0193300  595161404371622 3    361521 3      C-13-H3C(O)CH3
  488873.2551  0.0704 -6.4859 3  655.5460388  595161404483414 4    483117 4      C-13-H3C(O)CH3
  488882.6945  0.0033 -3.5692 3  339.0471600 -595161404371622 1    361521 1      C-13-H3C(O)CH3
  488882.6945  0.0033 -3.5692 3  339.0471600 -595161404371522 1    361621 1      C-13-H3C(O)CH3
  488885.7446  0.0329 -5.8935 3  808.8860840  595161404524210 0    5143 9 0      C-13-H3C(O)CH3
  488885.7446  0.0329 -5.8935 3  808.8860840  595161404524211 0    5143 8 0      C-13-H3C(O)CH3
  488889.6617  0.0034 -3.5693 3  339.0445600 -595161404371622 2    361521 2      C-13-H3C(O)CH3
  488889.6617  0.0034 -3.5693 3  339.0445600 -595161404371522 2    361621 2      C-13-H3C(O)CH3
  488907.0326  0.0028 -3.5693 3  339.0722600 -595161404371622 0    361521 0      C-13-H3C(O)CH3
  488907.0326  0.0028 -3.5693 3  339.0722600 -595161404371522 0    361621 0      C-13-H3C(O)CH3
  488913.1376  0.0028 -3.9616 3  316.7814284  595161404351818 4    341717 4      C-13-H3C(O)CH3
  488913.7081  0.0028 -3.9616 3  316.7814284  595161404351818 3    341717 3      C-13-H3C(O)CH3
  488932.6445  0.0030 -3.6606 3  316.8085568 -595161404351818 1    341717 1      C-13-H3C(O)CH3
  488954.1757  0.0030 -3.6608 3  316.8037568 -595161404351818 2    341717 2      C-13-H3C(O)CH3
  488959.5572  0.0030 -3.4839 3  198.9980440 -5951614042719 9 0    2618 8 0      C-13-H3C(O)CH3
  488973.2396  0.0026 -3.6608 3  316.8307568 -595161404351818 0    341717 0      C-13-H3C(O)CH3
  488976.1358  0.0028 -4.6437 3  398.8173372 -59516140446 641 4    45 540 4      C-13-H3C(O)CH3
  488976.1358  0.0028 -3.6657 3  398.8172372 -59516140446 641 3    45 640 3      C-13-H3C(O)CH3
  488976.1358  0.0028 -5.7317 3  398.8172372 -59516140446 541 3    45 640 3      C-13-H3C(O)CH3
  488976.1358  0.0028 -4.6437 3  398.8173372 -59516140446 541 4    45 640 4      C-13-H3C(O)CH3
  488976.1538  0.0028 -3.7098 3  398.8173372  59516140446 541 4    45 540 4      C-13-H3C(O)CH3
  488976.1538  0.0028 -3.7098 3  398.8173372  59516140446 641 4    45 640 4      C-13-H3C(O)CH3
  488976.1947  0.0028 -5.7317 3  398.8172372  59516140446 641 3    45 540 3      C-13-H3C(O)CH3
  488976.1947  0.0028 -3.6657 3  398.8172372  59516140446 541 3    45 540 3      C-13-H3C(O)CH3
  488991.5688  0.0466 -6.1957 3  808.9341420  595161404524210 4    5143 8 4      C-13-H3C(O)CH3
  489010.9969  0.0035 -3.8303 3  398.8262744  59516140446 541 1    45 540 1      C-13-H3C(O)CH3
  489010.9969  0.0035 -3.8303 3  398.8262744  59516140446 641 1    45 640 1      C-13-H3C(O)CH3
  489011.2227  0.0035 -3.5409 3  398.8262744 -59516140446 541 1    45 640 1      C-13-H3C(O)CH3
  489011.2227  0.0034 -3.5138 3  398.8257744 -59516140446 641 2    45 640 2      C-13-H3C(O)CH3
  489011.2227  0.0035 -3.5409 3  398.8262744 -59516140446 641 1    45 540 1      C-13-H3C(O)CH3
  489011.2227  0.0034 -3.5138 3  398.8257744 -59516140446 541 2    45 540 2      C-13-H3C(O)CH3
  489011.3569  0.0034 -3.8885 3  398.8257744  59516140446 641 2    45 540 2      C-13-H3C(O)CH3
  489011.3569  0.0034 -3.8885 3  398.8257744  59516140446 541 2    45 640 2      C-13-H3C(O)CH3
  489012.9158  0.0084 -6.0534 3  126.4702360  5951614042215 7 2    2112 9 2      C-13-H3C(O)CH3
  489017.6067  0.0173 -5.5977 3  105.5939164  5951614042015 5 4    1912 7 4      C-13-H3C(O)CH3
  489024.7162  0.0616 -5.5232 3  592.7874952  59516140459 357 2    59 258 2      C-13-H3C(O)CH3
  489024.7162  0.0616 -5.5232 3  592.7874952  59516140459 257 2    59 158 2      C-13-H3C(O)CH3
  489024.7162  0.0616 -5.1149 3  592.7874952  59516140459 357 2    59 158 2      C-13-H3C(O)CH3
  489024.7162  0.0616 -5.1149 3  592.7874952  59516140459 257 2    59 258 2      C-13-H3C(O)CH3
  489025.2557  0.0661 -4.9720 3  592.7878952  59516140459 257 1    59 258 1      C-13-H3C(O)CH3
  489025.2557  0.0661 -4.9720 3  592.7878952  59516140459 357 1    59 158 1      C-13-H3C(O)CH3
  489031.6810  0.0388 -5.8939 3  808.8971840  595161404524211 1    5143 9 1      C-13-H3C(O)CH3
  489046.0997  0.0027 -4.0466 3  398.8346744  59516140446 641 0    45 640 0      C-13-H3C(O)CH3
  489046.0997  0.0027 -3.4612 3  398.8346744  59516140446 541 0    45 640 0      C-13-H3C(O)CH3
  489046.1170  0.0027 -3.4612 3  398.8346744 -59516140446 641 0    45 540 0      C-13-H3C(O)CH3
  489046.1170  0.0027 -4.0466 3  398.8346744 -59516140446 541 0    45 540 0      C-13-H3C(O)CH3
  489055.9114  0.0241 -5.2682 3  486.6849680  595161404422715 1    412813 1      C-13-H3C(O)CH3
  489058.5710  0.0370 -5.8941 3  808.9046840  595161404524211 2    5143 8 2      C-13-H3C(O)CH3
  489062.2723  0.0137 -5.3543 3  105.5658328  5951614042015 5 2    1912 7 2      C-13-H3C(O)CH3
  489110.9045  0.0327 -4.9817 3  629.0277968  59516140460 457 0    60 358 0      C-13-H3C(O)CH3
  489110.9045  0.0327 -5.6579 3  629.0277968  59516140460 457 0    60 258 0      C-13-H3C(O)CH3
  489110.9045  0.0327 -5.5303 3  629.0277968  59516140460 357 0    60 358 0      C-13-H3C(O)CH3
  489110.9045  0.0327 -4.9516 3  629.0277968  59516140460 357 0    60 258 0      C-13-H3C(O)CH3
  489119.3843  0.0338 -5.0323 3  462.0182332  595161404412615 3    402714 3      C-13-H3C(O)CH3
  489146.6038  0.0450 -6.1950 3  808.9327420  595161404524210 3    5143 8 3      C-13-H3C(O)CH3
  489156.6012  0.1046 -6.0783 3 1318.3317C40  595161404771958 0    771859 0      C-13-H3C(O)CH3
  489156.6012  0.1046 -5.6891 3 1318.3317C40  595161404771958 0    771959 0      C-13-H3C(O)CH3
  489156.6012  0.1046 -6.0783 3 1318.3317C40  595161404772058 0    771959 0      C-13-H3C(O)CH3
  489156.6012  0.1046 -5.6891 3 1318.3317C40  595161404772058 0    771859 0      C-13-H3C(O)CH3
  489190.7005  0.0073 -6.5654 3  182.8853456  595161404281018 2    28 721 2      C-13-H3C(O)CH3
  489190.7112  0.0073 -6.5654 3  182.8853456  595161404281118 2    28 821 2      C-13-H3C(O)CH3
  489199.2271  0.0415 -5.7460 3  438.1224324  595161404402515 4    392613 4      C-13-H3C(O)CH3
  489205.8899  0.0475 -6.1956 3  808.9157420  595161404524211 3    5143 9 3      C-13-H3C(O)CH3
  489213.2471  0.1232 -5.6489 3 1318.3467C40  595161404772058 1    771859 1      C-13-H3C(O)CH3
  489213.2471  0.1232 -6.1959 3 1318.3467C40  595161404771958 1    771859 1      C-13-H3C(O)CH3
  489213.2471  0.1232 -5.6489 3 1318.3467C40  595161404771958 1    771959 1      C-13-H3C(O)CH3
  489213.2471  0.1232 -6.1959 3 1318.3467C40  595161404772058 1    771959 1      C-13-H3C(O)CH3
  489214.2525  0.0368 -5.8934 3  808.9030840  595161404524210 2    5143 9 2      C-13-H3C(O)CH3
  489216.2042  0.0074 -6.5641 3  182.8863456  595161404281018 1    28 721 1      C-13-H3C(O)CH3
  489216.2143  0.0074 -6.5641 3  182.8863456  595161404281118 1    28 821 1      C-13-H3C(O)CH3
  489219.4041  0.1235 -6.4629 3 1318.3472C40  595161404771958 2    771859 2      C-13-H3C(O)CH3
  489219.4041  0.1235 -5.5957 3 1318.3472C40  595161404771958 2    771959 2      C-13-H3C(O)CH3
  489219.4041  0.1235 -6.4629 3 1318.3472C40  595161404772058 2    771959 2      C-13-H3C(O)CH3
  489219.4041  0.1235 -5.5957 3 1318.3472C40  595161404772058 2    771859 2      C-13-H3C(O)CH3
  489276.1551  0.0810 -6.1498 3 1318.3622620  595161404771958 3    771859 3      C-13-H3C(O)CH3
  489276.1551  0.0810 -6.1350 3 1318.3622620  595161404771958 3    771959 3      C-13-H3C(O)CH3
  489276.1551  0.0810 -5.8604 3 1318.3622620  595161404772058 3    771959 3      C-13-H3C(O)CH3
  489276.3026  0.0811 -5.8509 3 1318.3622620  595161404772058 4    771859 4      C-13-H3C(O)CH3
  489276.3026  0.0811 -5.8509 3 1318.3622620  595161404771958 4    771959 4      C-13-H3C(O)CH3
  489338.2904  0.0038 -3.6139 3  193.4361212 -5951614042621 5 4    2520 5 4      C-13-H3C(O)CH3
  489339.5403  0.0045 -4.4691 3  198.9685220 -5951614042719 8 3    2618 8 3      C-13-H3C(O)CH3
  489349.2838  0.0352 -5.6872 3  438.1356648  595161404402515 2    392613 2      C-13-H3C(O)CH3
  489352.8439  0.0096 -5.2393 3   95.9388312  5951614041915 5 0    1812 6 0      C-13-H3C(O)CH3
  489360.4420  0.0481 -6.1948 3  808.9142420  595161404524211 4    5143 9 4      C-13-H3C(O)CH3
  489375.9846  0.0283 -4.8112 3  462.0271664  595161404412615 2    402714 2      C-13-H3C(O)CH3
  489393.9893  0.0346 -5.1607 3  486.6586340  595161404422715 3    412814 3      C-13-H3C(O)CH3
  489394.1307  0.0127 -5.4669 3   95.9645312  5951614041915 4 1    1812 6 1      C-13-H3C(O)CH3
  489397.7751  0.3367 -6.5156 3  922.1378468  595161404583424 3    583127 3      C-13-H3C(O)CH3
  489405.4815  0.3352 -6.5156 3  922.1378468  595161404583424 4    583127 4      C-13-H3C(O)CH3
  489418.5381  0.0037 -3.8789 3  198.9855220 -5951614042719 8 4    2618 8 4      C-13-H3C(O)CH3
  489423.2926  0.1024 -5.7289 3  557.1224936  59516140458 257 2    58 058 2      C-13-H3C(O)CH3
  489423.2926  0.1024 -5.3450 3  557.1224936  59516140458 157 2    58 058 2      C-13-H3C(O)CH3
  489423.2926  0.1024 -5.3450 3  557.1224936  59516140458 257 2    58 158 2      C-13-H3C(O)CH3
  489423.2926  0.1024 -5.7289 3  557.1224936  59516140458 157 2    58 158 2      C-13-H3C(O)CH3
  489426.1424  0.1064 -5.3132 3  557.1227936  59516140458 157 1    58 158 1      C-13-H3C(O)CH3
  489426.1424  0.1064 -5.8178 3  557.1227936  59516140458 257 1    58 158 1      C-13-H3C(O)CH3
  489426.1424  0.1064 -5.8178 3  557.1227936  59516140458 157 1    58 058 1      C-13-H3C(O)CH3
  489426.1424  0.1064 -5.3132 3  557.1227936  59516140458 257 1    58 058 1      C-13-H3C(O)CH3
  489431.6859  0.0364 -6.4732 3  438.1141324  595161404402515 3    392613 3      C-13-H3C(O)CH3
  489478.3983  0.0033 -3.6139 3  193.3956212 -5951614042621 5 3    2520 5 3      C-13-H3C(O)CH3
  489494.2821  0.0178 -4.6908 3  462.0440664  595161404412615 0    402714 0      C-13-H3C(O)CH3
  489496.0053  0.0032 -3.6905 3  198.9891440 -5951614042719 8 1    2618 8 1      C-13-H3C(O)CH3
  489505.8534  0.0033 -3.8389 3  349.1785308  595161404381424 4    371523 4      C-13-H3C(O)CH3
  489505.8543  0.0033 -3.8389 3  349.1785308  595161404381524 4    371423 4      C-13-H3C(O)CH3
  489505.9504  0.0033 -3.8389 3  349.1785308  595161404381424 3    371523 3      C-13-H3C(O)CH3
  489505.9514  0.0033 -3.8389 3  349.1785308  595161404381524 3    371423 3      C-13-H3C(O)CH3
  489509.2267  0.0031 -3.3125 3  193.4409424 -5951614042621 5 1    2520 5 1      C-13-H3C(O)CH3
  489520.2078  0.0039 -3.8733 3  198.9879440 -5951614042719 8 2    2618 8 2      C-13-H3C(O)CH3
  489523.0821  0.0035 -3.5379 3  349.2064616 -595161404381424 1    371523 1      C-13-H3C(O)CH3
  489523.0821  0.0035 -3.5379 3  349.2064616 -595161404381524 1    371423 1      C-13-H3C(O)CH3
  489527.9531  0.0035 -3.5380 3  349.2044616 -595161404381524 2    371423 2      C-13-H3C(O)CH3
  489527.9531  0.0035 -3.5380 3  349.2044616 -595161404381424 2    371523 2      C-13-H3C(O)CH3
  489532.1164  0.0035 -3.6135 3  193.3906212 -5951614042621 6 3    2520 6 3      C-13-H3C(O)CH3
  489534.7614  0.0161 -5.7168 3   95.9902156  5951614041915 4 4    1812 6 4      C-13-H3C(O)CH3
  489541.5240  0.0070 -6.5627 3  182.8814456  595161404281018 0    28 721 0      C-13-H3C(O)CH3
  489541.5343  0.0070 -6.5627 3  182.8814456  595161404281118 0    28 821 0      C-13-H3C(O)CH3
  489545.0383  0.0029 -3.5380 3  349.2323616 -595161404381524 0    371423 0      C-13-H3C(O)CH3
  489545.0383  0.0029 -3.5380 3  349.2323616 -595161404381424 0    371523 0      C-13-H3C(O)CH3
  489562.0138  0.0033 -3.3122 3  193.4513424 -5951614042621 5 2    2520 5 2      C-13-H3C(O)CH3
  489570.2724  0.0184 -4.7417 3  462.0250664  595161404412615 1    402714 1      C-13-H3C(O)CH3
  489637.8350  0.0128 -5.4832 3   95.9602312  5951614041915 4 2    1812 6 2      C-13-H3C(O)CH3
  489643.1232  0.0316 -5.1765 3  462.0025332  595161404412615 4    402714 4      C-13-H3C(O)CH3
  489652.0117  0.0181 -4.7540 3  486.6782680  595161404422715 0    412814 0      C-13-H3C(O)CH3
  489671.9832  0.0030 -3.6134 3  193.3501212 -5951614042621 6 4    2520 6 4      C-13-H3C(O)CH3
  489685.3067  0.0527 -5.1052 3  592.7522952  59516140459 257 0    59 158 0      C-13-H3C(O)CH3
  489685.3067  0.0527 -5.5434 3  592.7522952  59516140459 257 0    59 258 0      C-13-H3C(O)CH3
  489685.3067  0.0527 -5.1052 3  592.7522952  59516140459 357 0    59 258 0      C-13-H3C(O)CH3
  489685.3067  0.0527 -5.5434 3  592.7522952  59516140459 357 0    59 158 0      C-13-H3C(O)CH3
  489701.1274  0.0029 -3.3121 3  193.4109424 -5951614042621 6 2    2520 6 2      C-13-H3C(O)CH3
  489701.9060  0.0028 -3.3121 3  193.3955424 -5951614042621 6 1    2520 6 1      C-13-H3C(O)CH3
  489730.8452  0.0028 -3.3118 3  193.4561424 -5951614042621 6 0    2520 5 0      C-13-H3C(O)CH3
  489733.1290  0.0028 -3.3118 3  193.4560424 -5951614042621 5 0    2520 6 0      C-13-H3C(O)CH3
  489744.5558  0.0991 -5.5967 3 1272.1694C24  595161404761858 0    761859 0      C-13-H3C(O)CH3
  489744.5558  0.0991 -6.0484 3 1272.1694C24  595161404761958 0    761859 0      C-13-H3C(O)CH3
  489744.5558  0.0991 -6.0484 3 1272.1694C24  595161404761858 0    761759 0      C-13-H3C(O)CH3
  489744.5558  0.0991 -5.5967 3 1272.1694C24  595161404761958 0    761759 0      C-13-H3C(O)CH3
  489781.0537  0.0296 -4.9979 3  486.6612680  595161404422715 2    412814 2      C-13-H3C(O)CH3
  489818.6816  0.1184 -6.5672 3 1272.1809C24  595161404761958 1    761859 1      C-13-H3C(O)CH3
  489818.6816  0.1184 -5.5009 3 1272.1809C24  595161404761958 1    761759 1      C-13-H3C(O)CH3
  489818.6816  0.1184 -5.5009 3 1272.1809C24  595161404761858 1    761859 1      C-13-H3C(O)CH3
  489818.6816  0.1184 -6.5672 3 1272.1809C24  595161404761858 1    761759 1      C-13-H3C(O)CH3
  489823.9162  0.1186 -6.1913 3 1272.1812C24  595161404761958 2    761859 2      C-13-H3C(O)CH3
  489823.9162  0.1186 -5.5555 3 1272.1812C24  595161404761958 2    761759 2      C-13-H3C(O)CH3
  489823.9162  0.1186 -5.5555 3 1272.1812C24  595161404761858 2    761859 2      C-13-H3C(O)CH3
  489823.9162  0.1186 -6.1913 3 1272.1812C24  595161404761858 2    761759 2      C-13-H3C(O)CH3
  489850.2197  0.0207 -4.9128 3  486.6584680  595161404422715 1    412814 1      C-13-H3C(O)CH3
  489898.1607  0.0772 -5.8105 3 1272.1928612  595161404761958 3    761859 3      C-13-H3C(O)CH3
  489898.1607  0.0772 -6.4832 3 1272.1928612  595161404761958 3    761759 3      C-13-H3C(O)CH3
  489898.1607  0.0772 -5.8585 3 1272.1928612  595161404761858 3    761759 3      C-13-H3C(O)CH3
  489898.3332  0.0772 -5.7977 3 1272.1928612  595161404761858 4    761759 4      C-13-H3C(O)CH3
  489898.3332  0.0772 -5.8141 3 1272.1928612  595161404761958 4    761859 4      C-13-H3C(O)CH3
  489909.6487  0.0203 -6.2782 3  438.1263648  595161404402515 1    392613 1      C-13-H3C(O)CH3
  489949.0828  0.0039 -3.8794 3  198.9028220 -5951614042719 9 4    2618 9 4      C-13-H3C(O)CH3
  489953.5278  0.1212 -6.1358 3  877.6357904  595161404563720 0    563423 0      C-13-H3C(O)CH3
  490025.5290  0.0048 -4.4675 3  198.9200220 -5951614042719 9 3    2618 9 3      C-13-H3C(O)CH3
  490054.6320  0.0036 -3.6903 3  198.9272440 -5951614042719 9 1    2618 9 1      C-13-H3C(O)CH3
  490082.7049  0.0027 -5.1298 3  403.3751380  59516140447 543 4    46 542 4      C-13-H3C(O)CH3
  490082.7049  0.0027 -5.1298 3  403.3751380  59516140447 443 4    46 442 4      C-13-H3C(O)CH3
  490082.7285  0.0027 -3.6604 3  403.3751380 -59516140447 443 4    46 542 4      C-13-H3C(O)CH3
  490082.7285  0.0027 -3.6604 3  403.3751380 -59516140447 543 4    46 442 4      C-13-H3C(O)CH3
  490082.7285  0.0027 -3.6566 3  403.3751380 -59516140447 443 3    46 442 3      C-13-H3C(O)CH3
  490082.7285  0.0027 -5.2568 3  403.3751380 -59516140447 543 3    46 442 3      C-13-H3C(O)CH3
  490082.7293  0.0027 -5.2568 3  403.3751380  59516140447 443 3    46 542 3      C-13-H3C(O)CH3
  490082.7293  0.0027 -3.6566 3  403.3751380  59516140447 543 3    46 542 3      C-13-H3C(O)CH3
  490089.4137  0.3493 -6.2156 3  922.1323936  595161404583424 2    583127 2      C-13-H3C(O)CH3
  490096.2923  0.2298 -6.2155 3  922.1315936  595161404583424 1    583127 1      C-13-H3C(O)CH3
  490117.4201  0.0035 -3.3458 3  403.3762760  59516140447 443 1    46 442 1      C-13-H3C(O)CH3
  490117.4201  0.0035 -3.3458 3  403.3762760  59516140447 543 1    46 542 1      C-13-H3C(O)CH3
  490117.5297  0.0035 -5.9846 3  403.3762760 -59516140447 543 1    46 442 1      C-13-H3C(O)CH3
  490117.5297  0.0035 -5.9846 3  403.3762760 -59516140447 443 1    46 542 1      C-13-H3C(O)CH3
  490117.5297  0.0034 -3.3632 3  403.3758760 -59516140447 543 2    46 442 2      C-13-H3C(O)CH3
  490117.5297  0.0034 -3.3632 3  403.3758760 -59516140447 443 2    46 542 2      C-13-H3C(O)CH3
  490117.6462  0.0034 -4.7265 3  403.3758760  59516140447 543 2    46 542 2      C-13-H3C(O)CH3
  490117.6462  0.0034 -4.7265 3  403.3758760  59516140447 443 2    46 442 2      C-13-H3C(O)CH3
  490152.1074  0.0027 -4.0201 3  403.3770760 -59516140447 543 0    46 542 0      C-13-H3C(O)CH3
  490152.1074  0.0027 -3.4478 3  403.3770760 -59516140447 443 0    46 542 0      C-13-H3C(O)CH3
  490152.2723  0.0027 -4.0201 3  403.3770760  59516140447 443 0    46 442 0      C-13-H3C(O)CH3
  490152.2723  0.0027 -3.4478 3  403.3770760  59516140447 543 0    46 442 0      C-13-H3C(O)CH3
  490159.3825  0.0040 -3.8735 3  198.9358440 -5951614042719 9 2    2618 9 2      C-13-H3C(O)CH3
  490176.0812  0.0342 -5.3847 3  486.6368340  595161404422715 4    412814 4      C-13-H3C(O)CH3
  490216.0605  0.0045 -4.4372 3  134.9919188  595161404231410 4    221111 4      C-13-H3C(O)CH3
  490241.0667  0.0043 -4.4372 3  134.9917188  595161404231410 3    221111 3      C-13-H3C(O)CH3
  490276.2014  0.0045 -4.7105 3   99.1311172  59516140421 813 3    20 714 3      C-13-H3C(O)CH3
  490276.3552  0.0061 -4.7105 3   99.1311172  59516140421 813 4    20 714 4      C-13-H3C(O)CH3
  490278.4261  0.0045 -4.7105 3   99.1311172  59516140421 913 3    20 614 3      C-13-H3C(O)CH3
  490278.5606  0.0061 -4.7105 3   99.1311172  59516140421 913 4    20 614 4      C-13-H3C(O)CH3
  490284.5675  0.0032 -6.2156 3  209.8799228  595161404281810 4    271710 4      C-13-H3C(O)CH3
  490285.9525  0.0859 -5.5649 3  557.0578936  59516140458 157 0    58 158 0      C-13-H3C(O)CH3
  490285.9525  0.0859 -5.4328 3  557.0578936  59516140458 157 0    58 058 0      C-13-H3C(O)CH3
  490285.9525  0.0859 -5.5649 3  557.0578936  59516140458 257 0    58 058 0      C-13-H3C(O)CH3
  490285.9525  0.0859 -5.4328 3  557.0578936  59516140458 257 0    58 158 0      C-13-H3C(O)CH3
  490312.5269  0.0033 -3.8126 3  358.7443316 -595161404391426 3    381325 3      C-13-H3C(O)CH3
  490312.5269  0.0033 -3.8126 3  358.7443316 -595161404391326 4    381425 4      C-13-H3C(O)CH3
  490312.5269  0.0033 -3.8126 3  358.7443316 -595161404391326 3    381425 3      C-13-H3C(O)CH3
  490312.5269  0.0033 -3.8126 3  358.7443316 -595161404391426 4    381325 4      C-13-H3C(O)CH3
  490313.3032  0.0919 -5.4220 3 1226.5840C08  595161404751858 0    751659 0      C-13-H3C(O)CH3
  490313.3032  0.0919 -5.4220 3 1226.5840C08  595161404751758 0    751759 0      C-13-H3C(O)CH3
  490323.6319  0.1827 -6.5215 3 1847.5661E16  595161404882959 2    882960 2      C-13-H3C(O)CH3
  490323.6319  0.1827 -6.5215 3 1847.5661E16  595161404883059 2    882860 2      C-13-H3C(O)CH3
  490330.1769  0.0036 -3.5116 3  358.7722632 -595161404391426 1    381325 1      C-13-H3C(O)CH3
  490330.1769  0.0036 -3.5116 3  358.7722632 -595161404391326 1    381425 1      C-13-H3C(O)CH3
  490333.7347  0.0036 -3.5116 3  358.7706632 -595161404391426 2    381325 2      C-13-H3C(O)CH3
  490333.7347  0.0036 -3.5116 3  358.7706632 -595161404391326 2    381425 2      C-13-H3C(O)CH3
  490351.2601  0.0030 -3.5117 3  358.7984632 -595161404391426 0    381325 0      C-13-H3C(O)CH3
  490351.2601  0.0030 -3.5117 3  358.7984632 -595161404391326 0    381425 0      C-13-H3C(O)CH3
  490372.9226  0.0036 -6.2344 3  209.8921456  595161404281810 1    271710 1      C-13-H3C(O)CH3
  490378.3880  0.2034 -6.4713 3 1847.5521E16  595161404882959 0    882960 0      C-13-H3C(O)CH3
  490378.3880  0.2034 -6.4713 3 1847.5521E16  595161404883059 0    882860 0      C-13-H3C(O)CH3
  490397.0781  0.0262 -5.0850 3  597.8508744  595161404463215 2    453313 2      C-13-H3C(O)CH3
  490404.2290  0.1107 -5.3926 3 1226.5914C08  595161404751858 1    751759 1      C-13-H3C(O)CH3
  490404.2290  0.1107 -5.3926 3 1226.5914C08  595161404751758 1    751659 1      C-13-H3C(O)CH3
  490408.4513  0.1109 -6.4865 3 1226.5915C08  595161404751858 2    751759 2      C-13-H3C(O)CH3
  490408.4513  0.1109 -5.4289 3 1226.5915C08  595161404751858 2    751659 2      C-13-H3C(O)CH3
  490408.4513  0.1109 -5.9848 3 1226.5915C08  595161404751758 2    751659 2      C-13-H3C(O)CH3
  490408.4513  0.1109 -5.5206 3 1226.5915C08  595161404751758 2    751759 2      C-13-H3C(O)CH3
  490415.5299  0.0042 -4.1360 3  134.9856376  595161404231410 1    221111 1      C-13-H3C(O)CH3
  490439.1650  0.0290 -5.3859 3  597.8386372  595161404463215 4    453313 4      C-13-H3C(O)CH3
  490442.2558  0.1100 -6.2381 3  877.6430904  595161404563720 1    563423 1      C-13-H3C(O)CH3
  490446.4132  0.0042 -4.1366 3  134.9809376  595161404231410 2    221111 2      C-13-H3C(O)CH3
  490499.5078  0.0729 -5.7658 3 1226.5990604  595161404751758 3    751759 3      C-13-H3C(O)CH3
  490499.5078  0.0729 -5.7658 3 1226.5990604  595161404751858 3    751659 3      C-13-H3C(O)CH3
  490499.5078  0.0729 -6.5062 3 1226.5990604  595161404751758 3    751659 3      C-13-H3C(O)CH3
  490499.5078  0.0729 -6.5062 3 1226.5990604  595161404751858 3    751759 3      C-13-H3C(O)CH3
  490499.7021  0.0729 -5.7245 3 1226.5990604  595161404751758 4    751759 4      C-13-H3C(O)CH3
  490499.7021  0.0729 -5.7245 3 1226.5990604  595161404751858 4    751659 4      C-13-H3C(O)CH3
  490504.9137  0.1359 -6.2582 3  877.6427904  595161404563720 2    563423 2      C-13-H3C(O)CH3
  490526.0720  0.0246 -5.0851 3  597.8487744  595161404463215 0    453312 0      C-13-H3C(O)CH3
  490527.5621  0.0264 -5.3903 3  597.8671372  595161404463215 3    453313 3      C-13-H3C(O)CH3
  490568.9430  0.0046 -4.4086 3   99.1034344 -59516140421 813 2    20 714 2      C-13-H3C(O)CH3
  490571.2111  0.0046 -4.4086 3   99.1034344  59516140421 913 2    20 614 2      C-13-H3C(O)CH3
  490582.2928  0.0246 -5.0850 3  597.8486744  595161404463214 0    453313 0      C-13-H3C(O)CH3
  490589.8532  0.0045 -4.4087 3   99.1045344  59516140421 813 1    20 714 1      C-13-H3C(O)CH3
  490592.0747  0.0045 -4.4087 3   99.1045344  59516140421 913 1    20 614 1      C-13-H3C(O)CH3
  490593.7434  0.0260 -5.0854 3  597.8366744  595161404463215 1    453313 1      C-13-H3C(O)CH3
  490631.8522  0.0045 -4.1364 3  134.9748376  595161404231410 0    221111 0      C-13-H3C(O)CH3
  490678.8137  0.0074 -3.7737 3  288.2655536  595161404331915 1    321814 1      C-13-H3C(O)CH3
  490683.6546  0.0253 -6.4786 3  387.5404584  5951614043630 7 1    362710 1      C-13-H3C(O)CH3
  490688.3228  0.0247 -5.0855 3  597.8649744  595161404463214 1    453312 1      C-13-H3C(O)CH3
  490707.5374  0.0069 -4.0746 3  288.2389268  595161404331915 4    321814 4      C-13-H3C(O)CH3
  490717.4508  0.0093 -4.0746 3  288.2386268  595161404331915 3    321814 3      C-13-H3C(O)CH3
  490721.2439  0.0228 -5.0850 3  597.8813744  595161404463214 2    453312 2      C-13-H3C(O)CH3
  490735.8455  0.0820 -6.2243 3  905.7623936  595161404583127 1    573424 1      C-13-H3C(O)CH3
  490742.5519  0.0827 -6.2257 3  905.7566936  595161404583127 0    573424 0      C-13-H3C(O)CH3
  490746.4583  0.0614 -6.5235 3  905.7682468  595161404583127 3    573424 3      C-13-H3C(O)CH3
  490758.0068  0.0605 -6.5235 3  905.7679468  595161404583127 4    573424 4      C-13-H3C(O)CH3
  490762.2824  0.0665 -6.2238 3  905.7622936  595161404583127 2    573424 2      C-13-H3C(O)CH3
  490762.6167  0.0217 -5.3901 3  597.8691372  595161404463214 3    453312 3      C-13-H3C(O)CH3
  490780.5848  0.0259 -6.4776 3  387.5674584  5951614043630 6 2    3627 9 2      C-13-H3C(O)CH3
  490781.7739  0.2400 -6.2165 3  922.1260936  595161404583424 0    583127 0      C-13-H3C(O)CH3
  490792.3867  0.0117 -3.8847 3  198.9200220  5951614042719 8 3    2618 9 3      C-13-H3C(O)CH3
  490828.3022  0.0314 -5.2659 3  512.0159348  595161404432815 4    422913 4      C-13-H3C(O)CH3
  490838.6628  0.0060 -3.7740 3  288.2798536  595161404331915 0    321814 0      C-13-H3C(O)CH3
  490852.9827  0.0235 -5.3859 3  597.8975372  595161404463214 4    453312 4      C-13-H3C(O)CH3
  490864.5203  0.0832 -5.6460 3 1181.5764B92  595161404741658 0    741559 0      C-13-H3C(O)CH3
  490864.5203  0.0832 -5.6024 3 1181.5764B92  595161404741658 0    741659 0      C-13-H3C(O)CH3
  490864.5203  0.0832 -5.6024 3 1181.5764B92  595161404741758 0    741559 0      C-13-H3C(O)CH3
  490864.5203  0.0832 -5.6460 3 1181.5764B92  595161404741758 0    741659 0      C-13-H3C(O)CH3
  490864.6610  0.0244 -6.4818 3  387.5532584  5951614043630 7 2    362710 2      C-13-H3C(O)CH3
  490876.2991  0.0068 -3.7739 3  288.2530536  595161404331915 2    321814 2      C-13-H3C(O)CH3
  490881.9465  0.0046 -4.4078 3   99.0769344 -59516140421 813 0    20 714 0      C-13-H3C(O)CH3
  490884.1935  0.0046 -4.4078 3   99.0769344  59516140421 913 0    20 614 0      C-13-H3C(O)CH3
  490902.1350  0.0028 -3.4813 3  198.9533440 -5951614042719 8 0    2618 9 0      C-13-H3C(O)CH3
  490913.5587  0.0610 -6.0065 3  769.7194856  595161404533222 0    532925 0      C-13-H3C(O)CH3
  490970.7139  0.1006 -5.8447 3 1181.5791B92  595161404741658 1    741659 1      C-13-H3C(O)CH3
  490970.7139  0.1006 -5.8447 3 1181.5791B92  595161404741758 1    741559 1      C-13-H3C(O)CH3
  490970.7139  0.1006 -5.4775 3 1181.5791B92  595161404741758 1    741659 1      C-13-H3C(O)CH3
  490970.7139  0.1006 -5.4775 3 1181.5791B92  595161404741658 1    741559 1      C-13-H3C(O)CH3
  490973.9007  0.1008 -5.8468 3 1181.5791B92  595161404741658 2    741559 2      C-13-H3C(O)CH3
  490973.9007  0.1008 -5.8468 3 1181.5791B92  595161404741758 2    741659 2      C-13-H3C(O)CH3
  490973.9007  0.1008 -5.4766 3 1181.5791B92  595161404741758 2    741559 2      C-13-H3C(O)CH3
  490973.9007  0.1008 -5.4766 3 1181.5791B92  595161404741658 2    741659 2      C-13-H3C(O)CH3
  491013.2059  0.0540 -6.0061 3  769.7162856  595161404533222 2    532925 2      C-13-H3C(O)CH3
  491018.8502  0.0622 -6.0060 3  769.7171856  595161404533222 1    532925 1      C-13-H3C(O)CH3
  491051.4805  0.0320 -5.0379 3  512.0128696  595161404432815 2    422913 2      C-13-H3C(O)CH3
  491080.2347  0.0682 -5.6341 3 1181.5818596  595161404741658 3    741659 3      C-13-H3C(O)CH3
  491080.2347  0.0682 -5.6433 3 1181.5818596  595161404741758 3    741559 3      C-13-H3C(O)CH3
  491080.4452  0.0683 -6.0356 3 1181.5818596  595161404741758 4    741659 4      C-13-H3C(O)CH3
  491080.4452  0.0683 -6.0356 3 1181.5818596  595161404741658 4    741559 4      C-13-H3C(O)CH3
  491080.4452  0.0683 -5.8356 3 1181.5818596  595161404741658 4    741659 4      C-13-H3C(O)CH3
  491080.4452  0.0683 -5.8356 3 1181.5818596  595161404741758 4    741559 4      C-13-H3C(O)CH3
  491082.7842  0.0124 -3.7083 3  198.9358440  5951614042719 8 2    2618 9 2      C-13-H3C(O)CH3
  491110.7612  0.0524 -6.3067 3  769.7138428  595161404533222 4    532925 4      C-13-H3C(O)CH3
  491114.4718  0.0265 -6.4768 3  387.5494584  5951614043630 6 1    3627 9 1      C-13-H3C(O)CH3
  491115.1362  0.0314 -5.7082 3  768.3774824  595161404514012 0    5041 9 0      C-13-H3C(O)CH3
  491115.1364  0.0314 -5.7082 3  768.3774824  595161404514011 0    504110 0      C-13-H3C(O)CH3
  491115.4504  0.0252 -6.4803 3  387.5752584  5951614043630 6 0    3627 9 0      C-13-H3C(O)CH3
  491117.7485  0.0252 -6.4803 3  387.5751584  5951614043630 7 0    362710 0      C-13-H3C(O)CH3
  491132.0746  0.0512 -6.3066 3  769.7138428  595161404533222 3    532925 3      C-13-H3C(O)CH3
  491135.9210  0.0350 -5.7086 3  768.4051824  595161404514011 1    5041 9 1      C-13-H3C(O)CH3
  491147.6056  0.0248 -5.3041 3  661.6183776  595161404483514 0    473611 0      C-13-H3C(O)CH3
  491148.4840  0.0248 -5.3041 3  661.6183776  595161404483513 0    473612 0      C-13-H3C(O)CH3
  491164.1870  0.1633 -6.4685 3 1795.0962E00  595161404872859 1    872760 1      C-13-H3C(O)CH3
  491164.1870  0.1633 -6.4685 3 1795.0962E00  595161404872959 1    872860 1      C-13-H3C(O)CH3
  491166.3566  0.1584 -6.3725 3 1795.1002E00  595161404872959 2    872860 2      C-13-H3C(O)CH3
  491166.3566  0.1584 -6.3725 3 1795.1002E00  595161404872859 2    872760 2      C-13-H3C(O)CH3
  491176.8792  0.1002 -6.4546 3  998.1603984  595161404613229 0    603526 0      C-13-H3C(O)CH3
  491179.8452  0.0260 -5.3038 3  661.6317776  595161404483514 2    473612 2      C-13-H3C(O)CH3
  491197.9751  0.0027 -4.1633 3  407.3949388  59516140448 445 4    47 344 4      C-13-H3C(O)CH3
  491197.9751  0.0027 -3.9721 3  407.3949388  59516140448 345 4    47 444 4      C-13-H3C(O)CH3
  491197.9795  0.0027 -4.6388 3  407.3949388 -59516140448 445 3    47 344 3      C-13-H3C(O)CH3
  491197.9795  0.0027 -3.8932 3  407.3949388 -59516140448 445 4    47 444 4      C-13-H3C(O)CH3
  491197.9795  0.0027 -3.7803 3  407.3949388 -59516140448 345 4    47 344 4      C-13-H3C(O)CH3
  491197.9795  0.0027 -4.6388 3  407.3949388 -59516140448 345 3    47 444 3      C-13-H3C(O)CH3
  491197.9812  0.0027 -3.6746 3  407.3949388  59516140448 345 3    47 344 3      C-13-H3C(O)CH3
  491197.9812  0.0027 -3.6746 3  407.3949388  59516140448 445 3    47 444 3      C-13-H3C(O)CH3
  491216.9812  0.1775 -6.5187 3 1795.0835E00  595161404872959 0    872760 0      C-13-H3C(O)CH3
  491216.9812  0.1775 -6.5187 3 1795.0835E00  595161404872859 0    872860 0      C-13-H3C(O)CH3
  491218.3534  0.0034 -3.8002 3  367.7336324 -595161404401228 4    391327 4      C-13-H3C(O)CH3
  491218.3534  0.0034 -3.7896 3  367.7336324 -595161404401228 3    391327 3      C-13-H3C(O)CH3
  491218.3534  0.0034 -3.7896 3  367.7336324 -595161404401328 3    391227 3      C-13-H3C(O)CH3
  491218.3534  0.0034 -5.8089 3  367.7336324 -595161404401328 4    391327 4      C-13-H3C(O)CH3
  491218.3829  0.0034 -3.7929 3  367.7336324  595161404401328 4    391227 4      C-13-H3C(O)CH3
  491218.3829  0.0034 -5.3469 3  367.7336324  595161404401228 4    391227 4      C-13-H3C(O)CH3
  491230.6507  0.0035 -3.6201 3  407.3856776  59516140448 345 1    47 344 1      C-13-H3C(O)CH3
  491230.6507  0.0035 -3.6201 3  407.3856776  59516140448 445 1    47 444 1      C-13-H3C(O)CH3
  491230.6832  0.0035 -3.6397 3  407.3856776 -59516140448 345 1    47 444 1      C-13-H3C(O)CH3
  491230.6832  0.0034 -4.6154 3  407.3852776 -59516140448 345 2    47 444 2      C-13-H3C(O)CH3
  491230.6832  0.0034 -3.3518 3  407.3852776 -59516140448 445 2    47 444 2      C-13-H3C(O)CH3
  491230.6832  0.0035 -3.6397 3  407.3856776 -59516140448 445 1    47 344 1      C-13-H3C(O)CH3
  491230.7657  0.0034 -4.6154 3  407.3852776  59516140448 445 2    47 344 2      C-13-H3C(O)CH3
  491230.7657  0.0034 -3.3518 3  407.3852776  59516140448 345 2    47 344 2      C-13-H3C(O)CH3
  491237.1663  0.0037 -4.6627 3  367.7612648 -595161404401228 1    391327 1      C-13-H3C(O)CH3
  491237.1663  0.0037 -3.5187 3  367.7612648 -595161404401328 1    391327 1      C-13-H3C(O)CH3
  491237.2398  0.0037 -4.6643 3  367.7612648  595161404401328 1    391227 1      C-13-H3C(O)CH3
  491237.2398  0.0037 -3.5186 3  367.7612648  595161404401228 1    391227 1      C-13-H3C(O)CH3
  491239.8458  0.0037 -5.1600 3  367.7599648  595161404401228 2    391227 2      C-13-H3C(O)CH3
  491239.8458  0.0037 -6.1200 3  367.7599648  595161404401328 2    391327 2      C-13-H3C(O)CH3
  491239.8686  0.0037 -3.4899 3  367.7599648 -595161404401328 2    391227 2      C-13-H3C(O)CH3
  491239.8686  0.0037 -3.4974 3  367.7599648 -595161404401228 2    391327 2      C-13-H3C(O)CH3
  491241.7888  0.0355 -4.9311 3  438.0537324  595161404402515 3    392614 3      C-13-H3C(O)CH3
  491258.5651  0.0030 -4.5026 3  367.7875648 -595161404401328 0    391227 0      C-13-H3C(O)CH3
  491258.5651  0.0030 -4.4421 3  367.7875648 -595161404401228 0    391327 0      C-13-H3C(O)CH3
  491258.5925  0.0030 -3.5399 3  367.7875648  595161404401328 0    391327 0      C-13-H3C(O)CH3
  491258.5925  0.0030 -3.5329 3  367.7875648  595161404401228 0    391227 0      C-13-H3C(O)CH3
  491260.6824  0.1005 -6.4527 3  998.1676984  595161404613229 1    603526 1      C-13-H3C(O)CH3
  491263.3674  0.0027 -3.4140 3  407.3760776  59516140448 445 0    47 444 0      C-13-H3C(O)CH3
  491263.3674  0.0027 -3.4140 3  407.3760776  59516140448 345 0    47 344 0      C-13-H3C(O)CH3
  491263.3704  0.0027 -4.0775 3  407.3760776 -59516140448 345 0    47 444 0      C-13-H3C(O)CH3
  491263.3704  0.0027 -4.0775 3  407.3760776 -59516140448 445 0    47 344 0      C-13-H3C(O)CH3
  491275.9763  0.0938 -6.4525 3  998.1687984  595161404613229 2    603526 2      C-13-H3C(O)CH3
  491276.2820  0.0258 -5.3041 3  661.6146776  595161404483514 1    473612 1      C-13-H3C(O)CH3
  491290.2816  0.0268 -5.3043 3  661.6407776  595161404483513 1    473611 1      C-13-H3C(O)CH3
  491295.7789  0.0342 -5.7084 3  768.3849824  595161404514012 1    504110 1      C-13-H3C(O)CH3
  491307.8576  0.0281 -5.6048 3  661.6278388  595161404483514 4    473612 4      C-13-H3C(O)CH3
  491309.3076  0.0377 -5.5409 3  511.9904348  595161404432815 3    422913 3      C-13-H3C(O)CH3
  491320.7023  0.0293 -5.6050 3  661.6540388  595161404483514 3    473611 3      C-13-H3C(O)CH3
  491339.7690  0.0105 -6.0008 3  355.3521600  595161404371819 2    371522 2      C-13-H3C(O)CH3
  491350.9255  0.0091 -6.0001 3  355.3804600  595161404371819 0    371522 0      C-13-H3C(O)CH3
  491352.3984  0.0131 -3.9033 3  198.9272440  5951614042719 8 1    2618 9 1      C-13-H3C(O)CH3
  491364.0326  0.0290 -4.6566 3  438.0684648  595161404402515 2    392614 2      C-13-H3C(O)CH3
  491366.1374  0.0329 -5.0816 3  482.1805340  595161404422617 4    412714 4      C-13-H3C(O)CH3
  491373.8106  0.0337 -5.7086 3  768.4005824  595161404514011 2    5041 9 2      C-13-H3C(O)CH3
  491374.8376  0.0105 -6.0008 3  355.3521600  595161404371919 2    371622 2      C-13-H3C(O)CH3
  491378.6745  0.0110 -6.3013 3  355.3261300  595161404371819 3    371522 3      C-13-H3C(O)CH3
  491378.7390  0.0111 -6.3013 3  355.3261300  595161404371819 4    371522 4      C-13-H3C(O)CH3
  491384.5466  0.0091 -6.0000 3  355.3804600  595161404371919 0    371622 0      C-13-H3C(O)CH3
  491389.6472  0.0102 -5.9999 3  355.3544600  595161404371819 1    371522 1      C-13-H3C(O)CH3
  491395.4286  0.0333 -5.7079 3  768.3967824  595161404514012 2    504110 2      C-13-H3C(O)CH3
  491396.4129  0.0434 -6.0100 3  768.4280412  595161404514011 4    5041 9 4      C-13-H3C(O)CH3
  491400.0539  0.0735 -5.2657 3 1137.1472B76  595161404731658 0    731459 0      C-13-H3C(O)CH3
  491400.0539  0.0735 -5.3005 3 1137.1472B76  595161404731558 0    731559 0      C-13-H3C(O)CH3
  491400.0539  0.0735 -6.2624 3 1137.1472B76  595161404731558 0    731459 0      C-13-H3C(O)CH3
  491413.9933  0.0111 -6.3012 3  355.3261300  595161404371919 4    371622 4      C-13-H3C(O)CH3
  491414.0202  0.0109 -6.3012 3  355.3261300  595161404371919 3    371622 3      C-13-H3C(O)CH3
  491416.5587  0.0415 -6.0094 3  768.4244412  595161404514011 3    5041 9 3      C-13-H3C(O)CH3
  491423.5229  0.0102 -5.9998 3  355.3544600  595161404371919 1    371622 1      C-13-H3C(O)CH3
  491427.9143  0.0268 -5.3040 3  661.6510776  595161404483513 2    473611 2      C-13-H3C(O)CH3
  491437.1539  0.0250 -5.1170 3  511.9947696  595161404432815 1    422913 1      C-13-H3C(O)CH3
  491509.3667  0.0308 -4.9889 3  438.0453324  595161404402515 4    392614 4      C-13-H3C(O)CH3
  491514.4350  0.0202 -5.9059 3  494.4142696  595161404432320 2    432023 2      C-13-H3C(O)CH3
  491516.7049  0.0138 -5.9059 3  494.4392696  595161404432320 0    432023 0      C-13-H3C(O)CH3
  491518.9896  0.0885 -5.5474 3 1137.1448B76  595161404731658 1    731459 1      C-13-H3C(O)CH3
  491518.9896  0.0885 -5.5652 3 1137.1448B76  595161404731558 1    731459 1      C-13-H3C(O)CH3
  491518.9896  0.0885 -5.5652 3 1137.1448B76  595161404731658 1    731559 1      C-13-H3C(O)CH3
  491518.9896  0.0885 -5.5474 3 1137.1448B76  595161404731558 1    731559 1      C-13-H3C(O)CH3
  491521.1833  0.0887 -5.8861 3 1137.1447B76  595161404731558 2    731459 2      C-13-H3C(O)CH3
  491521.1833  0.0887 -5.3709 3 1137.1447B76  595161404731658 2    731459 2      C-13-H3C(O)CH3
  491521.1833  0.0887 -5.8861 3 1137.1447B76  595161404731658 2    731559 2      C-13-H3C(O)CH3
  491521.1833  0.0887 -5.3709 3 1137.1447B76  595161404731558 2    731559 2      C-13-H3C(O)CH3
  491530.7416  0.1725 -6.4493 3  877.6505452  595161404563720 3    563423 3      C-13-H3C(O)CH3
  491555.0223  0.0281 -5.6051 3  661.6473388  595161404483513 3    473612 3      C-13-H3C(O)CH3
  491555.1383  0.0417 -6.0098 3  768.4080412  595161404514012 3    504110 3      C-13-H3C(O)CH3
  491570.1690  0.0336 -5.6052 3  661.6733388  595161404483513 4    473611 4      C-13-H3C(O)CH3
  491575.6566  0.0411 -6.0092 3  768.4042412  595161404514012 4    504110 4      C-13-H3C(O)CH3
  491587.3837  0.0213 -6.2061 3  494.3916348  595161404432320 3    432023 3      C-13-H3C(O)CH3
  491588.5765  0.0214 -6.2061 3  494.3915348  595161404432320 4    432023 4      C-13-H3C(O)CH3
  491589.8422  0.0147 -5.9053 3  494.4167696  595161404432320 1    432023 1      C-13-H3C(O)CH3
  491614.4599  0.0246 -4.7522 3  482.1887680  595161404422617 2    412714 2      C-13-H3C(O)CH3
  491617.3216  0.0364 -6.2508 3  414.8846316  595161404392415 4    382513 4      C-13-H3C(O)CH3
  491640.2656  0.0634 -6.2433 3 1137.1422588  595161404731658 3    731459 3      C-13-H3C(O)CH3
  491640.2656  0.0634 -6.2433 3 1137.1422588  595161404731558 3    731559 3      C-13-H3C(O)CH3
  491640.2656  0.0634 -5.6558 3 1137.1422588  595161404731558 3    731459 3      C-13-H3C(O)CH3
  491640.2656  0.0634 -5.6558 3 1137.1422588  595161404731658 3    731559 3      C-13-H3C(O)CH3
  491640.4839  0.0635 -5.5795 3 1137.1421588  595161404731658 4    731559 4      C-13-H3C(O)CH3
  491640.4839  0.0635 -5.5795 3 1137.1421588  595161404731558 4    731459 4      C-13-H3C(O)CH3
  491666.4712  0.0319 -6.2068 3  414.9022632  595161404392415 2    382513 2      C-13-H3C(O)CH3
  491684.1563  0.0209 -5.0333 3  482.1709340  595161404422617 3    412714 3      C-13-H3C(O)CH3
  491700.2822  0.0187 -4.6173 3  438.0850648  595161404402515 0    392614 0      C-13-H3C(O)CH3
  491719.8567  0.0191 -4.6269 3  438.0659648  595161404402515 1    392614 1      C-13-H3C(O)CH3
  491746.9633  0.0379 -5.3172 3  511.9758348  595161404432815 3    422914 3      C-13-H3C(O)CH3
  491760.3272  0.0720 -6.0640 3  538.0091356  595161404442916 4    433013 4      C-13-H3C(O)CH3
  491893.2228  0.0196 -4.8127 3  511.9882696  595161404432815 0    422914 0      C-13-H3C(O)CH3
  491897.9195  0.0233 -4.4930 3  198.9028220  5951614042719 8 4    2618 9 4      C-13-H3C(O)CH3
  491912.0531  0.0135 -4.7357 3  482.1814680  595161404422617 1    412714 1      C-13-H3C(O)CH3
  491921.9325  0.0631 -5.2765 3 1093.2973B60  595161404721558 0    721459 0      C-13-H3C(O)CH3
  491921.9325  0.0631 -5.9412 3 1093.2973B60  595161404721458 0    721459 0      C-13-H3C(O)CH3
  491921.9325  0.0631 -5.2765 3 1093.2973B60  595161404721458 0    721359 0      C-13-H3C(O)CH3
  491921.9325  0.0631 -5.9412 3 1093.2973B60  595161404721558 0    721359 0      C-13-H3C(O)CH3
  491977.6928  0.1412 -6.2847 3 1743.1962D84  595161404862759 1    862660 1      C-13-H3C(O)CH3
  491977.6928  0.1412 -6.2847 3 1743.1962D84  595161404862859 1    862760 1      C-13-H3C(O)CH3
  491981.7512  0.1392 -6.3097 3 1743.1998D84  595161404862859 2    862660 2      C-13-H3C(O)CH3
  491981.7512  0.1392 -6.3097 3 1743.1998D84  595161404862759 2    862760 2      C-13-H3C(O)CH3
  492015.3637  0.0106 -4.7274 3  482.1939680  595161404422617 0    412714 0      C-13-H3C(O)CH3
  492026.5593  0.1562 -6.4096 3 1743.1809D84  595161404862859 0    862760 0      C-13-H3C(O)CH3
  492026.5593  0.1562 -6.4096 3 1743.1809D84  595161404862759 0    862660 0      C-13-H3C(O)CH3
  492035.2672  0.0512 -6.2657 3  655.3669776  595161404483415 1    483118 1      C-13-H3C(O)CH3
  492049.9428  0.0753 -5.6331 3 1093.2893B60  595161404721458 1    721359 1      C-13-H3C(O)CH3
  492049.9428  0.0753 -5.6331 3 1093.2893B60  595161404721558 1    721459 1      C-13-H3C(O)CH3
  492049.9428  0.0753 -5.3859 3 1093.2893B60  595161404721558 1    721359 1      C-13-H3C(O)CH3
  492049.9428  0.0753 -5.3859 3 1093.2893B60  595161404721458 1    721459 1      C-13-H3C(O)CH3
  492051.2480  0.0753 -5.2033 3 1093.2892B60  595161404721458 2    721459 2      C-13-H3C(O)CH3
  492051.2480  0.0753 -5.2033 3 1093.2892B60  595161404721558 2    721359 2      C-13-H3C(O)CH3
  492096.2609  0.0515 -6.0605 3  655.3660776  595161404483415 0    483118 0      C-13-H3C(O)CH3
  492179.4069  0.0586 -5.5081 3 1093.2812580  595161404721458 3    721459 3      C-13-H3C(O)CH3
  492179.4069  0.0586 -5.5081 3 1093.2812580  595161404721558 3    721359 3      C-13-H3C(O)CH3
  492179.6213  0.0586 -5.5292 3 1093.2811580  595161404721558 4    721459 4      C-13-H3C(O)CH3
  492179.6213  0.0586 -5.5292 3 1093.2811580  595161404721458 4    721359 4      C-13-H3C(O)CH3
  492187.0924  0.0033 -4.3165 3  376.1573332 -595161404411230 3    401129 3      C-13-H3C(O)CH3
  492187.0924  0.0033 -3.9138 3  376.1573332 -595161404411130 3    401129 3      C-13-H3C(O)CH3
  492187.0924  0.0033 -3.9740 3  376.1572332 -595161404411130 4    401129 4      C-13-H3C(O)CH3
  492187.0924  0.0033 -3.9740 3  376.1572332 -595161404411230 4    401229 4      C-13-H3C(O)CH3
  492187.1316  0.0033 -4.1935 3  376.1572332  595161404411230 4    401129 4      C-13-H3C(O)CH3
  492187.1316  0.0033 -4.1935 3  376.1572332  595161404411130 4    401229 4      C-13-H3C(O)CH3
  492187.2125  0.0033 -4.3165 3  376.1573332  595161404411130 3    401229 3      C-13-H3C(O)CH3
  492187.2125  0.0033 -3.9138 3  376.1573332  595161404411230 3    401229 3      C-13-H3C(O)CH3
  492196.4644  0.3538 -6.3360 3 1021.4455984  595161404613625 1    613328 1      C-13-H3C(O)CH3
  492207.7133  0.0037 -4.8594 3  376.1844664 -595161404411130 1    401229 1      C-13-H3C(O)CH3
  492207.7133  0.0037 -3.4860 3  376.1844664 -595161404411130 1    401129 1      C-13-H3C(O)CH3
  492207.7133  0.0037 -4.8594 3  376.1844664 -595161404411230 1    401129 1      C-13-H3C(O)CH3
  492207.7133  0.0037 -3.4860 3  376.1844664 -595161404411230 1    401229 1      C-13-H3C(O)CH3
  492209.7010  0.0037 -4.3654 3  376.1833664 -595161404411130 2    401129 2      C-13-H3C(O)CH3
  492209.7010  0.0037 -4.3654 3  376.1833664 -595161404411230 2    401229 2      C-13-H3C(O)CH3
  492209.7010  0.0037 -3.5269 3  376.1833664 -595161404411130 2    401229 2      C-13-H3C(O)CH3
  492209.7010  0.0037 -3.5269 3  376.1833664 -595161404411230 2    401129 2      C-13-H3C(O)CH3
  492230.2102  0.0031 -3.5244 3  376.2104664  595161404411230 0    401229 0      C-13-H3C(O)CH3
  492230.2102  0.0031 -3.5244 3  376.2104664  595161404411130 0    401129 0      C-13-H3C(O)CH3
  492230.2325  0.0031 -4.3832 3  376.2104664 -595161404411230 0    401129 0      C-13-H3C(O)CH3
  492230.2325  0.0031 -4.3832 3  376.2104664 -595161404411130 0    401229 0      C-13-H3C(O)CH3
  492231.7707  0.0243 -5.1108 3  511.9682696  595161404432815 1    422914 1      C-13-H3C(O)CH3
  492245.7885  0.0332 -5.2062 3  511.9730696  595161404432815 2    422914 2      C-13-H3C(O)CH3
  492278.5501  0.5127 -6.3363 3 1021.4474984  595161404613625 2    613328 2      C-13-H3C(O)CH3
  492293.7906  0.0577 -6.2388 3  655.3688776  595161404483415 2    483118 2      C-13-H3C(O)CH3
  492321.8361  0.0028 -3.6158 3  410.8782396 -59516140449 347 3    48 346 3      C-13-H3C(O)CH3
  492321.8361  0.0028 -5.9184 3  410.8782396 -59516140449 247 3    48 346 3      C-13-H3C(O)CH3
  492321.8361  0.0028 -3.7313 3  410.8783396 -59516140449 347 4    48 346 4      C-13-H3C(O)CH3
  492321.8361  0.0028 -4.2386 3  410.8783396 -59516140449 247 4    48 346 4      C-13-H3C(O)CH3
  492321.8423  0.0028 -3.6158 3  410.8782396  59516140449 247 3    48 246 3      C-13-H3C(O)CH3
  492321.8423  0.0028 -5.9184 3  410.8782396  59516140449 347 3    48 246 3      C-13-H3C(O)CH3
  492321.8524  0.0028 -4.2386 3  410.8783396  59516140449 347 4    48 246 4      C-13-H3C(O)CH3
  492321.8524  0.0028 -3.7313 3  410.8783396  59516140449 247 4    48 246 4      C-13-H3C(O)CH3
  492349.6456  0.0035 -3.4701 3  410.8547792 -59516140449 247 2    48 346 2      C-13-H3C(O)CH3
  492349.6456  0.0036 -5.6075 3  410.8551792 -59516140449 247 1    48 346 1      C-13-H3C(O)CH3
  492349.6456  0.0036 -5.6075 3  410.8551792 -59516140449 347 1    48 246 1      C-13-H3C(O)CH3
  492349.6456  0.0035 -3.8295 3  410.8547792 -59516140449 347 2    48 346 2      C-13-H3C(O)CH3
  492349.6555  0.0036 -3.3148 3  410.8551792  59516140449 347 1    48 346 1      C-13-H3C(O)CH3
  492349.6555  0.0036 -3.3148 3  410.8551792  59516140449 247 1    48 246 1      C-13-H3C(O)CH3
  492349.6954  0.0035 -3.8295 3  410.8547792  59516140449 247 2    48 246 2      C-13-H3C(O)CH3
  492349.6954  0.0035 -3.4701 3  410.8547792  59516140449 347 2    48 246 2      C-13-H3C(O)CH3
  492377.3987  0.0028 -3.3145 3  410.8316792 -59516140449 347 0    48 346 0      C-13-H3C(O)CH3
  492377.3987  0.0028 -5.6609 3  410.8316792 -59516140449 347 0    48 246 0      C-13-H3C(O)CH3
  492377.3987  0.0028 -3.3145 3  410.8316792 -59516140449 247 0    48 246 0      C-13-H3C(O)CH3
  492377.3987  0.0028 -5.6609 3  410.8316792 -59516140449 247 0    48 346 0      C-13-H3C(O)CH3
  492406.0379  0.0692 -6.4849 3  655.3637388  595161404483415 4    483118 4      C-13-H3C(O)CH3
  492432.3758  0.0526 -5.7783 3 1050.0271B44  595161404711358 0    711359 0      C-13-H3C(O)CH3
  492432.3758  0.0526 -5.2416 3 1050.0271B44  595161404711358 0    711259 0      C-13-H3C(O)CH3
  492432.3758  0.0526 -5.2416 3 1050.0271B44  595161404711458 0    711359 0      C-13-H3C(O)CH3
  492432.3758  0.0526 -5.7783 3 1050.0271B44  595161404711458 0    711259 0      C-13-H3C(O)CH3
  492455.5759  0.0136 -5.9046 3  494.4393696  595161404432420 0    432123 0      C-13-H3C(O)CH3
  492462.1818  0.0069 -4.5544 3  137.4451188  5951614042315 9 4    221210 4      C-13-H3C(O)CH3
  492491.1266  0.0183 -5.9045 3  494.4142696  595161404432420 2    432123 2      C-13-H3C(O)CH3
  492496.8201  0.0555 -5.5049 3  538.0013712  595161404442916 2    433013 2      C-13-H3C(O)CH3
  492513.9647  0.5112 -6.4672 3 1125.7115A32  595161404643826 1    643529 1      C-13-H3C(O)CH3
  492546.4279  0.0148 -5.9039 3  494.4167696  595161404432420 1    432123 1      C-13-H3C(O)CH3
  492561.0721  0.0099 -6.1382 3   78.1360148  5951614041811 7 3    17 810 3      C-13-H3C(O)CH3
  492564.4993  0.0620 -5.1404 3 1050.0136B44  595161404711358 1    711359 1      C-13-H3C(O)CH3
  492564.4993  0.0620 -5.1404 3 1050.0136B44  595161404711458 1    711259 1      C-13-H3C(O)CH3
  492565.0749  0.0619 -6.5322 3 1050.0134B44  595161404711358 2    711259 2      C-13-H3C(O)CH3
  492565.0749  0.0619 -5.1480 3 1050.0134B44  595161404711458 2    711259 2      C-13-H3C(O)CH3
  492565.0749  0.0619 -6.5322 3 1050.0134B44  595161404711458 2    711359 2      C-13-H3C(O)CH3
  492565.0749  0.0619 -5.1480 3 1050.0134B44  595161404711358 2    711359 2      C-13-H3C(O)CH3
  492565.8313  0.0094 -5.8300 3   78.1034296  5951614041811 7 2    17 810 2      C-13-H3C(O)CH3
  492582.3073  0.0193 -6.2048 3  494.3916348  595161404432420 4    432123 4      C-13-H3C(O)CH3
  492582.7657  0.0191 -6.2048 3  494.3916348  595161404432420 3    432123 3      C-13-H3C(O)CH3
  492598.4820  0.0133 -6.1389 3   78.1361148  5951614041811 7 4    17 810 4      C-13-H3C(O)CH3
  492607.1951  0.0097 -6.4358 3   70.5140140  5951614041712 6 4    16 7 9 4      C-13-H3C(O)CH3
  492607.4476  0.0074 -4.5508 3  137.4444188  5951614042315 9 3    221210 3      C-13-H3C(O)CH3
  492683.5143  0.0069 -6.4861 3   58.2943264  5951614041610 7 2    15 510 2      C-13-H3C(O)CH3
  492691.3420  0.7138 -6.4677 3 1125.7147A32  595161404643826 2    643529 2      C-13-H3C(O)CH3
  492696.0043  0.0066 -6.4869 3   58.2954264  5951614041610 7 1    15 510 1      C-13-H3C(O)CH3
  492697.3437  0.0538 -5.4626 3 1049.9998572  595161404711358 3    711359 3      C-13-H3C(O)CH3
  492697.3437  0.0538 -5.4626 3 1049.9998572  595161404711458 3    711259 3      C-13-H3C(O)CH3
  492697.5385  0.0538 -6.4832 3 1049.9998572  595161404711458 4    711359 4      C-13-H3C(O)CH3
  492697.5385  0.0538 -5.4715 3 1049.9998572  595161404711358 4    711359 4      C-13-H3C(O)CH3
  492697.5385  0.0538 -6.4832 3 1049.9998572  595161404711358 4    711259 4      C-13-H3C(O)CH3
  492697.5385  0.0538 -5.4715 3 1049.9998572  595161404711458 4    711259 4      C-13-H3C(O)CH3
  492727.6918  0.1124 -6.4946 3 1691.8837684  595161404852659 4    852560 4      C-13-H3C(O)CH3
  492727.6918  0.1124 -6.4946 3 1691.8837684  595161404852759 4    852660 4      C-13-H3C(O)CH3
  492756.5588  0.0091 -5.8259 3   78.0728296  5951614041811 7 0    17 810 0      C-13-H3C(O)CH3
  492764.9636  0.1267 -6.1844 3 1691.8629D68  595161404852659 1    852660 1      C-13-H3C(O)CH3
  492764.9636  0.1267 -6.1844 3 1691.8629D68  595161404852759 1    852560 1      C-13-H3C(O)CH3
  492767.7293  0.0094 -5.8335 3   78.1053296  5951614041811 7 1    17 810 1      C-13-H3C(O)CH3
  492770.5754  0.1267 -6.1858 3 1691.8661D68  595161404852759 2    852560 2      C-13-H3C(O)CH3
  492770.5754  0.1267 -6.1858 3 1691.8661D68  595161404852659 2    852660 2      C-13-H3C(O)CH3
  492782.2123  0.0060 -5.0878 3   78.6357164  59516140420 515 3    19 416 3      C-13-H3C(O)CH3
  492782.2129  0.0060 -5.0878 3   78.6357164  59516140420 615 3    19 316 3      C-13-H3C(O)CH3
  492782.4221  0.0077 -5.0878 3   78.6357164  59516140420 515 4    19 416 4      C-13-H3C(O)CH3
  492782.4227  0.0077 -5.0878 3   78.6357164  59516140420 615 4    19 316 4      C-13-H3C(O)CH3
  492794.0944  0.0409 -5.6449 3  511.9503348  595161404432815 4    422914 4      C-13-H3C(O)CH3
  492803.2501  0.0071 -4.2516 3  137.4386376  5951614042315 9 1    221210 1      C-13-H3C(O)CH3
  492807.8192  0.1402 -6.2629 3 1691.8454D68  595161404852659 0    852560 0      C-13-H3C(O)CH3
  492807.8192  0.1402 -6.2629 3 1691.8454D68  595161404852759 0    852660 0      C-13-H3C(O)CH3
  492845.2319  0.0095 -3.8023 3  272.1984520  595161404321914 1    311813 1      C-13-H3C(O)CH3
  492861.2305  0.0246 -5.9241 3  625.0136776  595161404482821 0    482524 0      C-13-H3C(O)CH3
  492874.6848  0.0101 -4.1031 3  272.1736260  595161404321914 4    311813 4      C-13-H3C(O)CH3
  492885.3323  0.0116 -4.1032 3  272.1733260  595161404321914 3    311813 3      C-13-H3C(O)CH3
  492886.8727  0.0333 -5.9237 3  624.9988776  595161404482821 2    482524 2      C-13-H3C(O)CH3
  492915.3278  0.0663 -6.4852 3  655.3669776  595161404483414 1    483118 1      C-13-H3C(O)CH3
  492925.9216  0.0272 -5.9234 3  625.0008776  595161404482821 1    482524 1      C-13-H3C(O)CH3
  492930.9219  0.0728 -6.4943 3  709.2719808  595161404503516 1    503218 1      C-13-H3C(O)CH3
  492933.8021  0.0427 -5.1931 3 1007.3373B28  595161404701258 0    701159 0      C-13-H3C(O)CH3
  492933.8021  0.0427 -5.6934 3 1007.3373B28  595161404701358 0    701159 0      C-13-H3C(O)CH3
  492933.8021  0.0427 -5.6934 3 1007.3373B28  595161404701258 0    701259 0      C-13-H3C(O)CH3
  492933.8021  0.0427 -5.1931 3 1007.3373B28  595161404701358 0    701259 0      C-13-H3C(O)CH3
  492938.2880  0.0711 -6.0974 3  709.2660808  595161404503515 0    503218 0      C-13-H3C(O)CH3
  492950.4440  0.0353 -6.2240 3  624.9859388  595161404482821 4    482524 4      C-13-H3C(O)CH3
  492955.0499  0.0348 -6.2240 3  624.9859388  595161404482821 3    482524 3      C-13-H3C(O)CH3
  492991.4809  0.0360 -5.3538 3  537.9829712  595161404442916 1    433013 1      C-13-H3C(O)CH3
  493003.6770  0.3678 -6.3374 3 1021.4372984  595161404613625 0    613328 0      C-13-H3C(O)CH3
  493044.1154  0.0068 -4.2533 3  137.4302376  5951614042315 9 2    221210 2      C-13-H3C(O)CH3
  493063.6278  0.0502 -5.3528 3 1007.3184B28  595161404701258 1    701159 1      C-13-H3C(O)CH3
  493063.6278  0.0502 -5.3974 3 1007.3184B28  595161404701358 1    701159 1      C-13-H3C(O)CH3
  493063.6278  0.0502 -5.3528 3 1007.3184B28  595161404701358 1    701259 1      C-13-H3C(O)CH3
  493063.6278  0.0502 -5.3974 3 1007.3184B28  595161404701258 1    701259 1      C-13-H3C(O)CH3
  493063.6757  0.0497 -5.1023 3 1007.3182B28  595161404701358 2    701159 2      C-13-H3C(O)CH3
  493063.6757  0.0497 -6.2667 3 1007.3182B28  595161404701258 2    701159 2      C-13-H3C(O)CH3
  493063.6757  0.0497 -6.2667 3 1007.3182B28  595161404701358 2    701259 2      C-13-H3C(O)CH3
  493063.6757  0.0497 -5.1023 3 1007.3182B28  595161404701258 2    701259 2      C-13-H3C(O)CH3
  493107.4429  0.0081 -3.8024 3  272.2078520  595161404321914 0    311813 0      C-13-H3C(O)CH3
  493113.1344  0.0068 -6.4831 3   58.2516264  5951614041610 7 0    15 510 0      C-13-H3C(O)CH3
  493115.1983  0.0781 -6.5255 3  709.2749808  595161404503516 2    503218 2      C-13-H3C(O)CH3
  493120.4108  0.0493 -5.4946 3  537.9813356  595161404442916 3    433013 3      C-13-H3C(O)CH3
  493147.8337  0.0089 -3.8022 3  272.1827520  595161404321914 2    311813 2      C-13-H3C(O)CH3
  493193.6374  0.0491 -5.7773 3 1007.2992564  595161404701358 3    701159 3      C-13-H3C(O)CH3
  493193.6374  0.0491 -5.5926 3 1007.2992564  595161404701258 3    701159 3      C-13-H3C(O)CH3
  493193.6374  0.0491 -5.7773 3 1007.2992564  595161404701258 3    701259 3      C-13-H3C(O)CH3
  493193.6374  0.0491 -5.5926 3 1007.2992564  595161404701358 3    701259 3      C-13-H3C(O)CH3
  493193.7929  0.0491 -5.3756 3 1007.2991564  595161404701358 4    701259 4      C-13-H3C(O)CH3
  493193.7929  0.0491 -5.3756 3 1007.2991564  595161404701258 4    701159 4      C-13-H3C(O)CH3
  493195.7901  0.0070 -4.7856 3   78.5895328  59516140420 515 2    19 416 2      C-13-H3C(O)CH3
  493195.7908  0.0070 -4.7856 3   78.5895328  59516140420 615 2    19 316 2      C-13-H3C(O)CH3
  493197.6825  0.0033 -3.7849 3  384.0228340  595161404421032 4    411131 4      C-13-H3C(O)CH3
  493197.6825  0.0033 -3.7849 3  384.0228340  595161404421132 4    411031 4      C-13-H3C(O)CH3
  493197.7212  0.0033 -4.8646 3  384.0228340 -595161404421032 4    411031 4      C-13-H3C(O)CH3
  493197.7212  0.0033 -4.3572 3  384.0229340 -595161404421032 3    411131 3      C-13-H3C(O)CH3
  493197.7212  0.0033 -4.3572 3  384.0229340 -595161404421132 3    411031 3      C-13-H3C(O)CH3
  493197.7212  0.0033 -4.8646 3  384.0228340 -595161404421132 4    411131 4      C-13-H3C(O)CH3
  493197.7609  0.0033 -3.8735 3  384.0229340  595161404421032 3    411031 3      C-13-H3C(O)CH3
  493197.7609  0.0033 -3.8735 3  384.0229340  595161404421132 3    411131 3      C-13-H3C(O)CH3
  493204.6150  0.0069 -4.7858 3   78.5901328  59516140420 515 1    19 416 1      C-13-H3C(O)CH3
  493204.6157  0.0069 -4.7858 3   78.5901328  59516140420 615 1    19 316 1      C-13-H3C(O)CH3
  493220.4354  0.0037 -4.9571 3  384.0491680 -595161404421032 1    411031 1      C-13-H3C(O)CH3
  493220.4354  0.0037 -4.9571 3  384.0491680 -595161404421132 1    411131 1      C-13-H3C(O)CH3
  493220.4753  0.0037 -3.4629 3  384.0491680  595161404421132 1    411031 1      C-13-H3C(O)CH3
  493220.4753  0.0037 -3.4629 3  384.0491680  595161404421032 1    411131 1      C-13-H3C(O)CH3
  493221.9858  0.0037 -3.7160 3  384.0482680  595161404421132 2    411031 2      C-13-H3C(O)CH3
  493221.9858  0.0037 -3.4683 3  384.0482680  595161404421032 2    411031 2      C-13-H3C(O)CH3
  493222.1162  0.0037 -4.8158 3  384.0482680 -595161404421032 2    411131 2      C-13-H3C(O)CH3
  493222.1162  0.0037 -3.7874 3  384.0482680 -595161404421132 2    411131 2      C-13-H3C(O)CH3
  493244.6355  0.0030 -3.4495 3  384.0744680 -595161404421132 0    411131 0      C-13-H3C(O)CH3
  493244.6355  0.0030 -3.4495 3  384.0744680 -595161404421032 0    411031 0      C-13-H3C(O)CH3
  493308.7363  0.0067 -4.2532 3  137.4242376  5951614042315 9 0    221210 0      C-13-H3C(O)CH3
  493344.9858  0.0868 -6.5385 3  655.3688776  595161404483414 2    483118 2      C-13-H3C(O)CH3
  493381.3962  0.5298 -6.4689 3 1125.7024A32  595161404643826 0    643529 0      C-13-H3C(O)CH3
  493428.8325  0.0341 -5.2549 3  965.2283B12  595161404691158 0    691159 0      C-13-H3C(O)CH3
  493428.8325  0.0341 -5.4017 3  965.2283B12  595161404691158 0    691059 0      C-13-H3C(O)CH3
  493428.8325  0.0341 -5.4017 3  965.2283B12  595161404691258 0    691159 0      C-13-H3C(O)CH3
  493428.8325  0.0341 -5.2549 3  965.2283B12  595161404691258 0    691059 0      C-13-H3C(O)CH3
  493454.6938  0.0034 -3.5974 3  413.8266404  59516140450 149 3    49 148 3      C-13-H3C(O)CH3
  493454.7087  0.0034 -3.6228 3  413.8267404  59516140450 149 4    49 248 4      C-13-H3C(O)CH3
  493454.7087  0.0034 -3.6015 3  413.8267404  59516140450 249 4    49 148 4      C-13-H3C(O)CH3
  493454.7313  0.0034 -3.5974 3  413.8266404 -59516140450 249 3    49 248 3      C-13-H3C(O)CH3
  493454.7313  0.0034 -4.8416 3  413.8267404 -59516140450 149 4    49 148 4      C-13-H3C(O)CH3
  493454.7313  0.0034 -5.6167 3  413.8267404 -59516140450 249 4    49 248 4      C-13-H3C(O)CH3
  493471.7267  0.0311 -5.4589 3  537.9696356  595161404442916 3    433014 3      C-13-H3C(O)CH3
  493472.9710  0.0208 -4.8745 3  537.9761712  595161404442916 0    433013 0      C-13-H3C(O)CH3
  493473.5119  0.0040 -3.8557 3  413.7847808 -59516140450 149 2    49 148 2      C-13-H3C(O)CH3
  493473.5119  0.0040 -3.4363 3  413.7847808 -59516140450 249 2    49 148 2      C-13-H3C(O)CH3
  493473.5119  0.0043 -3.2963 3  413.7851808 -59516140450 249 1    49 248 1      C-13-H3C(O)CH3
  493473.5583  0.0043 -3.2963 3  413.7851808  59516140450 149 1    49 148 1      C-13-H3C(O)CH3
  493473.5922  0.0040 -3.4363 3  413.7847808  59516140450 149 2    49 248 2      C-13-H3C(O)CH3
  493473.5922  0.0040 -3.8557 3  413.7847808  59516140450 249 2    49 248 2      C-13-H3C(O)CH3
  493492.4029  0.0033 -3.2965 3  413.7433808  59516140450 149 0    49 148 0      C-13-H3C(O)CH3
  493492.4029  0.0033 -3.2965 3  413.7433808  59516140450 249 0    49 248 0      C-13-H3C(O)CH3
  493492.4347  0.0033 -6.4119 3  413.7433808 -59516140450 149 0    49 248 0      C-13-H3C(O)CH3
  493492.4347  0.0033 -6.4119 3  413.7433808 -59516140450 249 0    49 148 0      C-13-H3C(O)CH3
  493498.8740  0.1066 -6.5237 3 1641.1196676  595161404842559 4    842560 4      C-13-H3C(O)CH3
  493498.8740  0.1066 -6.5237 3 1641.1196676  595161404842659 4    842460 4      C-13-H3C(O)CH3
  493498.8831  0.1066 -6.4839 3 1641.1196676  595161404842659 3    842460 3      C-13-H3C(O)CH3
  493498.8831  0.1066 -6.4839 3 1641.1196676  595161404842559 3    842560 3      C-13-H3C(O)CH3
  493511.4358  0.0837 -6.0973 3  791.0107856  595161404533618 0    533321 0      C-13-H3C(O)CH3
  493520.6850  0.0053 -6.3490 3   70.5139140  5951614041712 6 3    16 7 9 3      C-13-H3C(O)CH3
  493526.7762  0.1202 -6.1865 3 1641.0975D52  595161404842659 1    842460 1      C-13-H3C(O)CH3
  493526.7762  0.1202 -6.1865 3 1641.0975D52  595161404842559 1    842560 1      C-13-H3C(O)CH3
  493533.5784  0.1211 -6.2626 3 1641.1003D52  595161404842659 2    842560 2      C-13-H3C(O)CH3
  493533.5784  0.1211 -6.2626 3 1641.1003D52  595161404842559 2    842460 2      C-13-H3C(O)CH3
  493548.0937  0.0410 -5.0335 3  965.2043B12  595161404691258 2    691159 2      C-13-H3C(O)CH3
  493548.0937  0.0410 -6.5591 3  965.2043B12  595161404691258 2    691059 2      C-13-H3C(O)CH3
  493548.0937  0.0410 -6.5591 3  965.2043B12  595161404691158 2    691159 2      C-13-H3C(O)CH3
  493548.0937  0.0410 -5.0335 3  965.2043B12  595161404691158 2    691059 2      C-13-H3C(O)CH3
  493548.3439  0.0417 -5.0231 3  965.2044B12  595161404691258 1    691159 1      C-13-H3C(O)CH3
  493548.3439  0.0417 -5.0231 3  965.2044B12  595161404691158 1    691059 1      C-13-H3C(O)CH3
  493561.4855  0.1297 -6.2304 3 1641.0782D52  595161404842659 0    842560 0      C-13-H3C(O)CH3
  493561.4855  0.1297 -6.2304 3 1641.0782D52  595161404842559 0    842460 0      C-13-H3C(O)CH3
  493602.6994  0.0047 -3.7382 3  304.4903552  595161404341916 1    331815 1      C-13-H3C(O)CH3
  493614.7303  0.0041 -4.0393 3  304.4630276  595161404341916 4    331815 4      C-13-H3C(O)CH3
  493617.2656  0.0067 -4.7844 3   78.5440328  59516140420 515 0    19 416 0      C-13-H3C(O)CH3
  493617.2663  0.0067 -4.7844 3   78.5440328  59516140420 615 0    19 316 0      C-13-H3C(O)CH3
  493619.7936  0.0053 -4.0393 3  304.4628276  595161404341916 3    331815 3      C-13-H3C(O)CH3
  493647.4567  0.0094 -6.0222 3   57.4971156  59516140419 317 3    18 018 3      C-13-H3C(O)CH3
  493647.4567  0.0094 -6.0218 3   57.4971156  59516140419 217 3    18 118 3      C-13-H3C(O)CH3
  493648.0769  0.0110 -6.0207 3   57.4971156  59516140419 217 4    18 118 4      C-13-H3C(O)CH3
  493648.0769  0.0110 -6.0207 3   57.4971156  59516140419 317 4    18 018 4      C-13-H3C(O)CH3
  493659.5822  0.0069 -6.0876 3   70.4801280  5951614041712 6 1    16 7 9 1      C-13-H3C(O)CH3
  493667.7251  0.0447 -5.6216 3  965.1804556  595161404691158 3    691059 3      C-13-H3C(O)CH3
  493667.7251  0.0447 -5.6234 3  965.1804556  595161404691258 3    691059 3      C-13-H3C(O)CH3
  493667.7251  0.0447 -5.6216 3  965.1804556  595161404691258 3    691159 3      C-13-H3C(O)CH3
  493667.7251  0.0447 -5.6234 3  965.1804556  595161404691158 3    691159 3      C-13-H3C(O)CH3
  493667.8177  0.0447 -5.9059 3  965.1803556  595161404691258 4    691059 4      C-13-H3C(O)CH3
  493667.8177  0.0447 -5.4524 3  965.1803556  595161404691258 4    691159 4      C-13-H3C(O)CH3
  493667.8177  0.0447 -5.4524 3  965.1803556  595161404691158 4    691059 4      C-13-H3C(O)CH3
  493667.8177  0.0447 -5.9059 3  965.1803556  595161404691158 4    691159 4      C-13-H3C(O)CH3
  493678.0946  0.0255 -4.9897 3  537.9619712  595161404442916 2    433014 2      C-13-H3C(O)CH3
  493691.0442  0.0039 -3.7385 3  304.5087552  595161404341916 0    331815 0      C-13-H3C(O)CH3
  493695.0473  0.0517 -6.3678 3  928.7061888  5951614045547 8 1    5448 6 1      C-13-H3C(O)CH3
  493707.7646  0.0043 -3.7385 3  304.4812552  595161404341916 2    331815 2      C-13-H3C(O)CH3
  493717.6128  0.0079 -3.9024 3  177.7494424  595161404261610 2    251511 2      C-13-H3C(O)CH3
  493734.2003  0.0838 -6.3271 3  791.0181856  595161404533618 1    533321 1      C-13-H3C(O)CH3
  493771.5755  0.0068 -3.9019 3  177.7563424 -595161404261610 0    251511 0      C-13-H3C(O)CH3
  493775.8189  0.0306 -5.2347 3  537.9418356  595161404442916 4    433014 4      C-13-H3C(O)CH3
  493787.2384  0.0825 -6.3199 3  709.2719808  595161404503515 1    503218 1      C-13-H3C(O)CH3
  493822.3481  0.0593 -6.3685 3  928.6875888  5951614045547 9 2    5448 6 2      C-13-H3C(O)CH3
  493828.9527  0.0215 -5.0492 3  537.9550712  595161404442916 1    433014 1      C-13-H3C(O)CH3
  493862.8171  0.0070 -6.0792 3   70.4779280  5951614041712 6 2    16 7 9 2      C-13-H3C(O)CH3
  493874.6926  0.1014 -6.3332 3  791.0184856  595161404533618 2    533321 2      C-13-H3C(O)CH3
  493906.3521  0.0555 -6.3682 3  928.6972888  5951614045547 9 1    5448 7 1      C-13-H3C(O)CH3
  493920.2926  0.0278 -4.9747 3  923.7004A96  595161404681058 0    68 959 0      C-13-H3C(O)CH3
  493920.2926  0.0278 -4.9747 3  923.7004A96  595161404681158 0    681059 0      C-13-H3C(O)CH3
  493925.7133  0.0102 -4.2060 3  177.7470212  595161404261610 3    251511 3      C-13-H3C(O)CH3
  493930.9708  0.0113 -4.2063 3  177.7467212  595161404261610 4    251511 4      C-13-H3C(O)CH3
  493948.3869  0.0521 -6.3673 3  928.6727888  5951614045547 9 0    5448 7 0      C-13-H3C(O)CH3
  493948.3869  0.0521 -6.3673 3  928.6727888  5951614045547 8 0    5448 6 0      C-13-H3C(O)CH3
  493969.6475  0.0052 -3.4715 3  194.4190204 -5951614042524 1 4    2423 1 4      C-13-H3C(O)CH3
  493978.3760  0.0081 -3.9046 3  177.7538424  595161404261610 1    251511 1      C-13-H3C(O)CH3
  494019.4029  0.0375 -5.0953 3  923.6724A96  595161404681158 2    68 959 2      C-13-H3C(O)CH3
  494019.4029  0.0375 -5.5823 3  923.6724A96  595161404681158 2    681059 2      C-13-H3C(O)CH3
  494019.4029  0.0375 -5.5823 3  923.6724A96  595161404681058 2    68 959 2      C-13-H3C(O)CH3
  494019.4029  0.0375 -5.0953 3  923.6724A96  595161404681058 2    681059 2      C-13-H3C(O)CH3
  494019.7132  0.0383 -5.2596 3  923.6725A96  595161404681058 1    68 959 1      C-13-H3C(O)CH3
  494019.7132  0.0383 -5.2596 3  923.6725A96  595161404681158 1    681059 1      C-13-H3C(O)CH3
  494019.7132  0.0383 -5.2884 3  923.6725A96  595161404681158 1    68 959 1      C-13-H3C(O)CH3
  494019.7132  0.0383 -5.2884 3  923.6725A96  595161404681058 1    681059 1      C-13-H3C(O)CH3
  494118.9200  0.0404 -5.2767 3  923.6444548  595161404681158 3    68 959 3      C-13-H3C(O)CH3
  494118.9200  0.0404 -5.2767 3  923.6444548  595161404681058 3    681059 3      C-13-H3C(O)CH3
  494118.9239  0.0404 -5.4279 3  923.6444548  595161404681158 4    681059 4      C-13-H3C(O)CH3
  494118.9239  0.0404 -5.7977 3  923.6444548  595161404681158 4    68 959 4      C-13-H3C(O)CH3
  494118.9239  0.0404 -5.7977 3  923.6444548  595161404681058 4    681059 4      C-13-H3C(O)CH3
  494118.9239  0.0404 -5.4279 3  923.6444548  595161404681058 4    68 959 4      C-13-H3C(O)CH3
  494130.0522  0.0286 -5.5320 3  729.2103808  595161404503813 0    493910 0      C-13-H3C(O)CH3
  494130.0615  0.0286 -5.5320 3  729.2103808  595161404503812 0    493911 0      C-13-H3C(O)CH3
  494152.8577  0.1008 -6.3016 3  709.2749808  595161404503515 2    503218 2      C-13-H3C(O)CH3
  494177.4202  0.0044 -3.1702 3  194.4683408 -5951614042524 1 2    2423 1 2      C-13-H3C(O)CH3
  494180.1872  0.0045 -3.1701 3  194.4495408 -5951614042524 1 1    2423 1 1      C-13-H3C(O)CH3
  494186.7367  0.0049 -3.4710 3  194.3751204  5951614042524 2 3    2423 2 3      C-13-H3C(O)CH3
  494197.7396  0.0126 -5.7316 3   57.4252312  59516140419 317 2    18 018 2      C-13-H3C(O)CH3
  494197.7396  0.0126 -5.7320 3   57.4252312  59516140419 217 2    18 118 2      C-13-H3C(O)CH3
  494199.1451  0.0127 -5.7253 3   57.4257312  59516140419 217 1    18 118 1      C-13-H3C(O)CH3
  494199.1451  0.0127 -5.7246 3   57.4257312  59516140419 317 1    18 018 1      C-13-H3C(O)CH3
  494199.8944  0.0554 -6.3680 3  928.6863888  5951614045547 8 2    5448 7 2      C-13-H3C(O)CH3
  494224.4190  0.0318 -5.5323 3  729.2364808  595161404503812 1    493910 1      C-13-H3C(O)CH3
  494237.1842  0.0032 -3.8460 3  391.3357348 -595161404431034 3    42 933 3      C-13-H3C(O)CH3
  494237.1842  0.0032 -4.1692 3  391.3357348 -595161404431034 4    421033 4      C-13-H3C(O)CH3
  494237.1842  0.0032 -3.8460 3  391.3357348 -59516140443 934 3    421033 3      C-13-H3C(O)CH3
  494237.1842  0.0032 -3.9303 3  391.3357348 -59516140443 934 4    421033 4      C-13-H3C(O)CH3
  494237.2178  0.0032 -4.1692 3  391.3357348  59516140443 934 4    42 933 4      C-13-H3C(O)CH3
  494237.2178  0.0032 -3.9303 3  391.3357348  595161404431034 4    42 933 4      C-13-H3C(O)CH3
  494237.2931  0.0032 -4.3709 3  391.3357348  59516140443 934 3    42 933 3      C-13-H3C(O)CH3
  494237.2931  0.0032 -4.3709 3  391.3357348  595161404431034 3    421033 3      C-13-H3C(O)CH3
  494247.0962  0.1024 -6.4218 3 1590.9239668  595161404832459 3    832360 3      C-13-H3C(O)CH3
  494247.0962  0.1024 -6.4218 3 1590.9239668  595161404832559 3    832460 3      C-13-H3C(O)CH3
  494247.1086  0.1024 -6.3079 3 1590.9240668  595161404832559 4    832360 4      C-13-H3C(O)CH3
  494247.1086  0.1024 -6.3079 3 1590.9240668  595161404832459 4    832460 4      C-13-H3C(O)CH3
  494248.0851  0.0050 -3.4709 3  194.3892204 -5951614042524 1 3    2423 1 3      C-13-H3C(O)CH3
  494262.4859  0.0037 -3.5269 3  391.3606696  595161404431034 1    42 933 1      C-13-H3C(O)CH3
  494262.4859  0.0037 -4.1366 3  391.3606696  59516140443 934 1    42 933 1      C-13-H3C(O)CH3
  494262.5253  0.0037 -3.5269 3  391.3606696 -59516140443 934 1    421033 1      C-13-H3C(O)CH3
  494262.5253  0.0037 -4.1366 3  391.3606696 -595161404431034 1    421033 1      C-13-H3C(O)CH3
  494263.6491  0.0037 -3.5456 3  391.3598696  59516140443 934 2    42 933 2      C-13-H3C(O)CH3
  494263.6491  0.0037 -3.5456 3  391.3598696  595161404431034 2    421033 2      C-13-H3C(O)CH3
  494263.7052  0.0037 -4.0678 3  391.3598696 -595161404431034 2    42 933 2      C-13-H3C(O)CH3
  494263.7052  0.0037 -4.0678 3  391.3598696 -59516140443 934 2    421033 2      C-13-H3C(O)CH3
  494263.8883  0.1203 -6.0040 3 1590.9010D36  595161404832559 1    832460 1      C-13-H3C(O)CH3
  494263.8883  0.1203 -6.0040 3 1590.9010D36  595161404832459 1    832360 1      C-13-H3C(O)CH3
  494271.5043  0.1214 -6.0126 3 1590.9034D36  595161404832559 2    832360 2      C-13-H3C(O)CH3
  494271.5043  0.1214 -6.0126 3 1590.9034D36  595161404832459 2    832460 2      C-13-H3C(O)CH3
  494288.3244  0.1239 -6.0913 3 1590.8805D36  595161404832459 0    832360 0      C-13-H3C(O)CH3
  494288.3244  0.1239 -6.0913 3 1590.8805D36  595161404832559 0    832460 0      C-13-H3C(O)CH3
  494288.7796  0.0030 -3.4684 3  391.3847696 -59516140443 934 0    42 933 0      C-13-H3C(O)CH3
  494288.7796  0.0030 -3.4332 3  391.3847696 -595161404431034 0    421033 0      C-13-H3C(O)CH3
  494288.7796  0.0030 -5.8501 3  391.3847696 -595161404431034 0    42 933 0      C-13-H3C(O)CH3
  494288.7796  0.0030 -4.5218 3  391.3847696 -59516140443 934 0    421033 0      C-13-H3C(O)CH3
  494307.8636  0.0292 -5.5321 3  729.2145808  595161404503813 1    493911 1      C-13-H3C(O)CH3
  494309.1328  0.0132 -5.7110 3   95.6978156  5951614041915 5 4    1812 7 4      C-13-H3C(O)CH3
  494319.3346  0.0297 -5.5317 3  729.2300808  595161404503813 2    493911 2      C-13-H3C(O)CH3
  494388.2080  0.0041 -3.1698 3  194.4988408 -5951614042524 2 0    2423 1 0      C-13-H3C(O)CH3
  494388.2080  0.0041 -3.1698 3  194.4988408 -5951614042524 1 0    2423 2 0      C-13-H3C(O)CH3
  494394.2017  0.0042 -3.1697 3  194.4243408 -5951614042524 2 2    2423 2 2      C-13-H3C(O)CH3
  494394.9301  0.0109 -5.9055 3  102.7036164  5951614042014 7 4    1911 9 4      C-13-H3C(O)CH3
  494411.2085  0.0243 -4.9361 3  882.7539A80  595161404671058 0    67 959 0      C-13-H3C(O)CH3
  494411.2085  0.0243 -4.9361 3  882.7539A80  59516140467 958 0    67 859 0      C-13-H3C(O)CH3
  494413.1752  0.0371 -5.8330 3  729.2562404  595161404503812 3    493910 3      C-13-H3C(O)CH3
  494430.6551  0.0313 -5.5322 3  729.2386808  595161404503812 2    493910 2      C-13-H3C(O)CH3
  494458.2655  0.0044 -3.1695 3  194.4197408 -5951614042524 2 1    2423 2 1      C-13-H3C(O)CH3
  494464.3438  0.0053 -3.4705 3  194.3453204 -5951614042524 2 4    2423 2 4      C-13-H3C(O)CH3
  494478.7059  0.0388 -5.5458 3  882.7232A80  59516140467 958 2    67 959 2      C-13-H3C(O)CH3
  494478.7059  0.0388 -5.0509 3  882.7232A80  595161404671058 2    67 959 2      C-13-H3C(O)CH3
  494478.7059  0.0388 -5.0509 3  882.7232A80  59516140467 958 2    67 859 2      C-13-H3C(O)CH3
  494478.7059  0.0388 -5.5458 3  882.7232A80  595161404671058 2    67 859 2      C-13-H3C(O)CH3
  494478.8534  0.0394 -4.9341 3  882.7233A80  595161404671058 1    67 859 1      C-13-H3C(O)CH3
  494478.8534  0.0394 -4.9341 3  882.7233A80  59516140467 958 1    67 959 1      C-13-H3C(O)CH3
  494496.4469  0.0339 -5.8328 3  729.2342404  595161404503813 4    493911 4      C-13-H3C(O)CH3
  494526.3651  0.0413 -5.8335 3  729.2646404  595161404503812 4    493910 4      C-13-H3C(O)CH3
  494546.3038  0.0362 -5.4773 3  882.6925540  59516140467 958 4    67 859 4      C-13-H3C(O)CH3
  494546.3038  0.0362 -5.5949 3  882.6925540  59516140467 958 4    67 959 4      C-13-H3C(O)CH3
  494546.3038  0.0362 -5.5949 3  882.6925540  595161404671058 4    67 859 4      C-13-H3C(O)CH3
  494546.3038  0.0362 -5.4773 3  882.6925540  595161404671058 4    67 959 4      C-13-H3C(O)CH3
  494546.4141  0.0362 -5.2455 3  882.6925540  595161404671058 3    67 959 3      C-13-H3C(O)CH3
  494546.4141  0.0362 -5.2455 3  882.6925540  59516140467 958 3    67 859 3      C-13-H3C(O)CH3
  494562.3425  0.0053 -6.0444 3   70.4441280  5951614041712 6 0    16 7 9 0      C-13-H3C(O)CH3
  494594.5311  0.0171 -5.9698 3  482.0893680  595161404422617 2    412715 2      C-13-H3C(O)CH3
  494597.1913  0.0287 -6.3505 3  202.2450220  5951614042720 8 4    2619 7 4      C-13-H3C(O)CH3
  494597.3878  0.0051 -3.6332 3  416.2418412  59516140451 051 4    50 050 4      C-13-H3C(O)CH3
  494597.3878  0.0051 -3.6332 3  416.2418412  59516140451 151 4    50 150 4      C-13-H3C(O)CH3
  494597.3988  0.0052 -6.4519 3  416.2418412  59516140451 151 3    50 150 3      C-13-H3C(O)CH3
  494597.3988  0.0052 -5.3960 3  416.2418412  59516140451 051 3    50 050 3      C-13-H3C(O)CH3
  494597.4162  0.0051 -4.5246 3  416.2418412 -59516140451 051 4    50 150 4      C-13-H3C(O)CH3
  494597.4162  0.0052 -3.5814 3  416.2418412 -59516140451 151 3    50 050 3      C-13-H3C(O)CH3
  494597.4162  0.0052 -3.5875 3  416.2418412 -59516140451 051 3    50 150 3      C-13-H3C(O)CH3
  494597.4162  0.0051 -4.5246 3  416.2418412 -59516140451 151 4    50 050 4      C-13-H3C(O)CH3
  494601.5171  0.0075 -4.6874 3  416.1760824  59516140451 051 1    50 050 1      C-13-H3C(O)CH3
  494601.5171  0.0075 -4.6874 3  416.1760824  59516140451 151 1    50 150 1      C-13-H3C(O)CH3
  494601.5718  0.0069 -3.6893 3  416.1757824 -59516140451 051 2    50 050 2      C-13-H3C(O)CH3
  494601.5718  0.0075 -3.2969 3  416.1760824 -59516140451 151 1    50 050 1      C-13-H3C(O)CH3
  494601.5718  0.0075 -3.2969 3  416.1760824 -59516140451 051 1    50 150 1      C-13-H3C(O)CH3
  494601.5718  0.0069 -3.6893 3  416.1757824 -59516140451 151 2    50 150 2      C-13-H3C(O)CH3
  494601.6795  0.0069 -3.4938 3  416.1757824  59516140451 151 2    50 050 2      C-13-H3C(O)CH3
  494601.6795  0.0069 -3.4938 3  416.1757824  59516140451 051 2    50 150 2      C-13-H3C(O)CH3
  494605.7793  0.0056 -3.6173 3  416.1100824  59516140451 051 0    50 050 0      C-13-H3C(O)CH3
  494605.7793  0.0056 -3.5466 3  416.1100824  59516140451 151 0    50 050 0      C-13-H3C(O)CH3
  494605.8421  0.0056 -3.4711 3  416.1100824 -59516140451 051 0    50 150 0      C-13-H3C(O)CH3
  494605.8421  0.0056 -3.7271 3  416.1100824 -59516140451 151 0    50 150 0      C-13-H3C(O)CH3
  494608.2598  0.0363 -5.8333 3  729.2428404  595161404503813 3    493911 3      C-13-H3C(O)CH3
  494622.8433  0.1105 -6.4859 3  791.0181856  595161404533617 1    533321 1      C-13-H3C(O)CH3
  494698.8917  0.0190 -5.9600 3  482.0694340  595161404422617 4    412715 4      C-13-H3C(O)CH3
  494732.6583  0.0114 -6.4503 3  482.0873680  595161404422617 1    412715 1      C-13-H3C(O)CH3
  494748.1170  0.0125 -5.7265 3   57.3540312  59516140419 217 0    18 018 0      C-13-H3C(O)CH3
  494748.1170  0.0125 -5.7265 3   57.3540312  59516140419 317 0    18 118 0      C-13-H3C(O)CH3
  494819.4458  0.0430 -6.1560 3  884.6893872  5951614045445 9 1    5346 7 1      C-13-H3C(O)CH3
  494839.1514  0.0597 -6.4581 3  884.7040436  595161404544510 4    5346 7 4      C-13-H3C(O)CH3
  494863.9660  0.1061 -6.5525 3  709.2856404  595161404503515 4    503218 4      C-13-H3C(O)CH3
  494866.5475  0.1259 -6.5352 3  791.0273428  595161404533618 3    533321 3      C-13-H3C(O)CH3
  494904.8001  0.0235 -5.9363 3  842.3890A64  59516140466 858 0    66 759 0      C-13-H3C(O)CH3
  494904.8001  0.0235 -4.9359 3  842.3890A64  59516140466 858 0    66 859 0      C-13-H3C(O)CH3
  494904.8001  0.0235 -5.9363 3  842.3890A64  59516140466 958 0    66 859 0      C-13-H3C(O)CH3
  494904.8001  0.0235 -4.9359 3  842.3890A64  59516140466 958 0    66 759 0      C-13-H3C(O)CH3
  494925.7985  0.0238 -5.2328 3  538.0091356  595161404442915 4    433013 4      C-13-H3C(O)CH3
  494926.9348  0.0425 -4.8944 3  842.3575A64  59516140466 858 1    66 859 1      C-13-H3C(O)CH3
  494926.9348  0.0425 -4.8944 3  842.3575A64  59516140466 958 1    66 759 1      C-13-H3C(O)CH3
  494927.1309  0.0421 -4.9512 3  842.3573A64  59516140466 958 2    66 759 2      C-13-H3C(O)CH3
  494927.1309  0.0421 -5.8055 3  842.3573A64  59516140466 858 2    66 759 2      C-13-H3C(O)CH3
  494927.1309  0.0421 -4.9512 3  842.3573A64  59516140466 858 2    66 859 2      C-13-H3C(O)CH3
  494927.1309  0.0421 -5.8055 3  842.3573A64  59516140466 958 2    66 859 2      C-13-H3C(O)CH3
  494949.0382  0.0323 -5.1953 3  842.3258532  59516140466 958 4    66 759 4      C-13-H3C(O)CH3
  494949.0382  0.0323 -5.1953 3  842.3258532  59516140466 858 4    66 859 4      C-13-H3C(O)CH3
  494949.2834  0.0323 -5.5493 3  842.3258532  59516140466 958 3    66 759 3      C-13-H3C(O)CH3
  494949.2834  0.0323 -5.4491 3  842.3258532  59516140466 958 3    66 859 3      C-13-H3C(O)CH3
  494949.2834  0.0323 -5.4491 3  842.3258532  59516140466 858 3    66 759 3      C-13-H3C(O)CH3
  494949.2834  0.0323 -5.5493 3  842.3258532  59516140466 858 3    66 859 3      C-13-H3C(O)CH3
  494973.0246  0.0991 -6.4052 3 1541.2976660  595161404822359 3    822260 3      C-13-H3C(O)CH3
  494973.0246  0.0991 -6.4052 3 1541.2976660  595161404822459 3    822360 3      C-13-H3C(O)CH3
  494973.0605  0.0991 -6.2512 3 1541.2977660  595161404822459 4    822360 4      C-13-H3C(O)CH3
  494973.0605  0.0991 -6.2512 3 1541.2977660  595161404822359 4    822260 4      C-13-H3C(O)CH3
  494977.0431  0.1243 -6.4984 3 1541.2746D20  595161404822359 1    822260 1      C-13-H3C(O)CH3
  494977.0431  0.1243 -6.4984 3 1541.2746D20  595161404822459 1    822360 1      C-13-H3C(O)CH3
  494977.0431  0.1243 -6.0486 3 1541.2746D20  595161404822359 1    822360 1      C-13-H3C(O)CH3
  494977.0431  0.1243 -6.0486 3 1541.2746D20  595161404822459 1    822260 1      C-13-H3C(O)CH3
  494982.2094  0.1665 -6.4792 3  791.0184856  595161404533617 2    533321 2      C-13-H3C(O)CH3
  494985.0976  0.1250 -5.9457 3 1541.2766D20  595161404822359 2    822360 2      C-13-H3C(O)CH3
  494985.0976  0.1250 -5.9457 3 1541.2766D20  595161404822459 2    822260 2      C-13-H3C(O)CH3
  494989.1585  0.1213 -5.9181 3 1541.2535D20  595161404822459 0    822360 0      C-13-H3C(O)CH3
  494989.1585  0.1213 -5.9181 3 1541.2535D20  595161404822359 0    822260 0      C-13-H3C(O)CH3
  494996.8205  0.0401 -6.1555 3  884.6581872  595161404544510 0    5346 7 0      C-13-H3C(O)CH3
  494996.8205  0.0401 -6.1555 3  884.6581872  5951614045445 9 0    5346 8 0      C-13-H3C(O)CH3
  495015.7046  0.0482 -6.1565 3  884.6728872  595161404544510 2    5346 8 2      C-13-H3C(O)CH3
  495024.7322  0.0263 -4.9872 3  538.0013712  595161404442915 2    433013 2      C-13-H3C(O)CH3
  495053.1392  0.0464 -6.1561 3  884.6772872  595161404544510 1    5346 8 1      C-13-H3C(O)CH3
  495073.6098  0.0601 -6.4581 3  884.6918436  595161404544510 3    5346 8 3      C-13-H3C(O)CH3
  495076.3093  0.1871 -6.2118 3  968.7425952  595161404593822 0    593525 0      C-13-H3C(O)CH3
  495135.3727  0.0539 -6.4574 3  884.7051436  5951614045445 9 3    5346 7 3      C-13-H3C(O)CH3
  495205.8104  0.1019 -5.9435 3  785.0392872  595161404543025 0    533122 0      C-13-H3C(O)CH3
  495230.5862  0.0356 -5.4552 3  537.9813356  595161404442915 3    433013 3      C-13-H3C(O)CH3
  495274.2507  0.0361 -4.8307 3  414.7626316  595161404392415 3    382514 3      C-13-H3C(O)CH3
  495279.6935  0.0249 -5.0464 3  537.9829712  595161404442915 1    433013 1      C-13-H3C(O)CH3
  495297.7043  0.0031 -4.0070 3  398.0999356  59516140444 836 4    43 835 4      C-13-H3C(O)CH3
  495297.7043  0.0031 -4.0070 3  398.0999356  59516140444 936 4    43 935 4      C-13-H3C(O)CH3
  495297.7075  0.0031 -4.0269 3  398.0999356 -59516140444 836 4    43 935 4      C-13-H3C(O)CH3
  495297.7075  0.0031 -3.7586 3  398.0999356 -59516140444 836 3    43 935 3      C-13-H3C(O)CH3
  495297.7075  0.0031 -4.0269 3  398.0999356 -59516140444 936 4    43 835 4      C-13-H3C(O)CH3
  495297.7075  0.0031 -3.7586 3  398.0999356 -59516140444 936 3    43 835 3      C-13-H3C(O)CH3
  495297.7753  0.0031 -4.7429 3  398.0999356  59516140444 936 3    43 935 3      C-13-H3C(O)CH3
  495297.7753  0.0031 -4.7429 3  398.0999356  59516140444 836 3    43 835 3      C-13-H3C(O)CH3
  495297.8918  0.0303 -4.5355 3  414.7810632  595161404392415 2    382514 2      C-13-H3C(O)CH3
  495310.9140  0.0073 -5.8835 3  102.6863328  5951614042014 7 1    1911 9 1      C-13-H3C(O)CH3
  495311.4756  0.0449 -6.1558 3  884.6739872  5951614045445 9 2    5346 7 2      C-13-H3C(O)CH3
  495325.5689  0.0037 -4.1505 3  398.1227712  59516140444 936 1    43 935 1      C-13-H3C(O)CH3
  495325.5689  0.0037 -4.1505 3  398.1227712  59516140444 836 1    43 835 1      C-13-H3C(O)CH3
  495325.5798  0.0037 -3.5030 3  398.1227712 -59516140444 836 1    43 935 1      C-13-H3C(O)CH3
  495325.5798  0.0037 -3.5030 3  398.1227712 -59516140444 936 1    43 835 1      C-13-H3C(O)CH3
  495326.1063  0.0287 -5.5386 3  802.5454524  59516140465 758 4    65 659 4      C-13-H3C(O)CH3
  495326.1063  0.0287 -5.4082 3  802.5454524  59516140465 758 4    65 759 4      C-13-H3C(O)CH3
  495326.1063  0.0287 -5.4082 3  802.5454524  59516140465 858 4    65 659 4      C-13-H3C(O)CH3
  495326.1063  0.0287 -5.5386 3  802.5454524  59516140465 858 4    65 759 4      C-13-H3C(O)CH3
  495326.3648  0.0037 -3.4188 3  398.1220712 -59516140444 936 2    43 835 2      C-13-H3C(O)CH3
  495326.3648  0.0037 -3.4188 3  398.1220712 -59516140444 836 2    43 935 2      C-13-H3C(O)CH3
  495326.4642  0.0037 -5.4482 3  398.1220712  59516140444 836 2    43 835 2      C-13-H3C(O)CH3
  495326.4642  0.0037 -5.4482 3  398.1220712  59516140444 936 2    43 935 2      C-13-H3C(O)CH3
  495326.4946  0.0286 -5.1688 3  802.5454524  59516140465 758 3    65 759 3      C-13-H3C(O)CH3
  495326.4946  0.0286 -5.1688 3  802.5454524  59516140465 858 3    65 659 3      C-13-H3C(O)CH3
  495354.1549  0.0029 -3.4610 3  398.1448712 -59516140444 836 0    43 935 0      C-13-H3C(O)CH3
  495354.1549  0.0029 -4.4112 3  398.1448712 -59516140444 836 0    43 835 0      C-13-H3C(O)CH3
  495354.1549  0.0029 -4.4112 3  398.1448712 -59516140444 936 0    43 935 0      C-13-H3C(O)CH3
  495354.1549  0.0029 -3.4610 3  398.1448712 -59516140444 936 0    43 835 0      C-13-H3C(O)CH3
  495365.1801  0.0446 -4.8665 3  802.5758A48  59516140465 758 1    65 759 1      C-13-H3C(O)CH3
  495365.1801  0.0446 -4.8665 3  802.5758A48  59516140465 858 1    65 659 1      C-13-H3C(O)CH3
  495365.8282  0.0445 -5.2280 3  802.5755A48  59516140465 758 2    65 659 2      C-13-H3C(O)CH3
  495365.8282  0.0445 -5.1143 3  802.5755A48  59516140465 758 2    65 759 2      C-13-H3C(O)CH3
  495365.8282  0.0445 -5.1143 3  802.5755A48  59516140465 858 2    65 659 2      C-13-H3C(O)CH3
  495365.8282  0.0445 -5.2280 3  802.5755A48  59516140465 858 2    65 759 2      C-13-H3C(O)CH3
  495369.0209  0.0591 -6.4575 3  884.6930436  5951614045445 9 4    5346 8 4      C-13-H3C(O)CH3
  495372.6919  0.0318 -4.8439 3  414.7594316  595161404392415 4    382514 4      C-13-H3C(O)CH3
  495383.1355  0.0385 -6.0992 3  581.3245728  595161404453312 0    453015 0      C-13-H3C(O)CH3
  495404.4676  0.0240 -4.8799 3  802.6058A48  59516140465 758 0    65 659 0      C-13-H3C(O)CH3
  495404.4676  0.0240 -5.7872 3  802.6058A48  59516140465 758 0    65 759 0      C-13-H3C(O)CH3
  495404.4676  0.0240 -6.3820 3  802.6058A48  59516140465 858 0    65 659 0      C-13-H3C(O)CH3
  495404.4676  0.0240 -4.9220 3  802.6058A48  59516140465 858 0    65 759 0      C-13-H3C(O)CH3
  495412.6460  0.0265 -6.2929 3  447.4012632  5951614043931 9 1    392812 1      C-13-H3C(O)CH3
  495420.7609  0.0272 -6.2922 3  447.4380632  5951614043931 8 2    392811 2      C-13-H3C(O)CH3
  495524.6135  0.0098 -6.0463 3  333.1920584  595161404361719 2    361422 2      C-13-H3C(O)CH3
  495536.3107  0.0103 -6.3468 3  333.1670292  595161404361719 4    361422 4      C-13-H3C(O)CH3
  495536.3745  0.0101 -6.3468 3  333.1670292  595161404361719 3    361422 3      C-13-H3C(O)CH3
  495537.1513  0.0098 -6.0463 3  333.1920584  595161404361819 2    361522 2      C-13-H3C(O)CH3
  495548.6436  0.0184 -5.5891 3  202.2474440  5951614042720 8 1    2619 7 1      C-13-H3C(O)CH3
  495548.8882  0.0103 -6.3468 3  333.1670292  595161404361819 4    361522 4      C-13-H3C(O)CH3
  495548.9899  0.0101 -6.3468 3  333.1670292  595161404361819 3    361522 3      C-13-H3C(O)CH3
  495558.2130  0.0086 -6.0453 3  333.2191584  595161404361719 0    361422 0      C-13-H3C(O)CH3
  495569.8533  0.0097 -6.0452 3  333.1941584  595161404361719 1    361422 1      C-13-H3C(O)CH3
  495570.2118  0.0086 -6.0453 3  333.2191584  595161404361819 0    361522 0      C-13-H3C(O)CH3
  495581.9022  0.0429 -5.4893 3  537.9696356  595161404442915 3    433014 3      C-13-H3C(O)CH3
  495581.9218  0.0097 -6.0452 3  333.1941584  595161404361819 1    361522 1      C-13-H3C(O)CH3
  495583.4414  0.0067 -6.0159 3  102.6831328  5951614042014 7 2    1911 9 2      C-13-H3C(O)CH3
  495595.1506  0.1778 -6.1924 3  963.0271952  595161404593723 0    593426 0      C-13-H3C(O)CH3
  495601.7459  0.0105 -5.4668 3   95.6868312  5951614041915 5 1    1812 7 1      C-13-H3C(O)CH3
  495605.4572  0.0040 -3.5657 3  197.4132212 -5951614042622 4 4    2521 4 4      C-13-H3C(O)CH3
  495639.4320  0.0218 -4.8699 3  537.9737712  595161404442915 0    433014 0      C-13-H3C(O)CH3
  495651.0590  0.0276 -6.2914 3  447.4190632  5951614043931 8 1    392811 1      C-13-H3C(O)CH3
  495659.2125  0.0258 -6.2939 3  447.4300632  5951614043931 8 0    392811 0      C-13-H3C(O)CH3
  495664.8829  0.1203 -5.9431 3 1492.1982D04  595161404812259 0    812160 0      C-13-H3C(O)CH3
  495664.8829  0.1203 -6.4754 3 1492.1982D04  595161404812259 0    812260 0      C-13-H3C(O)CH3
  495664.8829  0.1203 -5.9431 3 1492.1982D04  595161404812359 0    812260 0      C-13-H3C(O)CH3
  495664.8829  0.1203 -6.4754 3 1492.1982D04  595161404812359 0    812160 0      C-13-H3C(O)CH3
  495666.9752  0.1294 -5.8889 3 1492.2192D04  595161404812359 1    812160 1      C-13-H3C(O)CH3
  495666.9752  0.1294 -5.8889 3 1492.2192D04  595161404812259 1    812260 1      C-13-H3C(O)CH3
  495675.1080  0.1297 -6.1555 3 1492.2207D04  595161404812359 2    812160 2      C-13-H3C(O)CH3
  495675.1080  0.1297 -6.1555 3 1492.2207D04  595161404812259 2    812260 2      C-13-H3C(O)CH3
  495675.1080  0.1297 -6.1104 3 1492.2207D04  595161404812359 2    812260 2      C-13-H3C(O)CH3
  495675.1080  0.1297 -6.1104 3 1492.2207D04  595161404812259 2    812160 2      C-13-H3C(O)CH3
  495676.3991  0.0260 -5.1559 3  763.3526516  59516140464 758 4    64 559 4      C-13-H3C(O)CH3
  495676.3991  0.0260 -5.1559 3  763.3526516  59516140464 658 4    64 659 4      C-13-H3C(O)CH3
  495676.9160  0.0259 -5.5082 3  763.3526516  59516140464 758 3    64 659 3      C-13-H3C(O)CH3
  495676.9160  0.0259 -5.4003 3  763.3526516  59516140464 758 3    64 559 3      C-13-H3C(O)CH3
  495676.9160  0.0259 -5.5082 3  763.3526516  59516140464 658 3    64 559 3      C-13-H3C(O)CH3
  495676.9160  0.0259 -5.4003 3  763.3526516  59516140464 658 3    64 659 3      C-13-H3C(O)CH3
  495677.2575  0.0963 -6.2561 3 1492.2417652  595161404812259 3    812160 3      C-13-H3C(O)CH3
  495677.2575  0.0963 -6.2561 3 1492.2417652  595161404812359 3    812260 3      C-13-H3C(O)CH3
  495677.3187  0.0963 -6.1867 3 1492.2417652  595161404812359 4    812260 4      C-13-H3C(O)CH3
  495677.3187  0.0963 -6.1867 3 1492.2417652  595161404812259 4    812160 4      C-13-H3C(O)CH3
  495681.5335  0.0258 -6.2939 3  447.4293632  5951614043931 9 0    392812 0      C-13-H3C(O)CH3
  495693.6576  0.0263 -6.2958 3  447.4103632  5951614043931 9 2    392812 2      C-13-H3C(O)CH3
  495695.0962  0.1473 -6.1553 3  928.4223936  595161404583623 0    583326 0      C-13-H3C(O)CH3
  495713.6124  0.1950 -6.2253 3  968.7505952  595161404593822 2    593525 2      C-13-H3C(O)CH3
  495716.9250  0.1583 -6.2235 3  968.7500952  595161404593822 1    593525 1      C-13-H3C(O)CH3
  495721.8012  0.0391 -6.1662 3  581.3294728  595161404453312 1    453015 1      C-13-H3C(O)CH3
  495754.5950  0.0197 -4.5254 3  414.7988632  595161404392415 0    382514 0      C-13-H3C(O)CH3
  495764.3587  0.0035 -3.5655 3  197.3713212 -5951614042622 5 3    2521 5 3      C-13-H3C(O)CH3
  495768.8162  0.0920 -5.9394 3  785.0199872  595161404543025 1    533122 1      C-13-H3C(O)CH3
  495775.2070  0.0206 -4.5266 3  414.7789632  595161404392415 1    382514 1      C-13-H3C(O)CH3
  495775.2247  0.0042 -4.5532 3  115.4850180  595161404221012 3    21 913 3      C-13-H3C(O)CH3
  495776.0074  0.0058 -4.5532 3  115.4850180  595161404221012 4    21 913 4      C-13-H3C(O)CH3
  495782.9838  0.0033 -3.2642 3  197.4241424 -5951614042622 4 1    2521 4 1      C-13-H3C(O)CH3
  495794.8629  0.0441 -6.3389 3  763.3786A32  59516140464 658 1    64 659 1      C-13-H3C(O)CH3
  495794.8629  0.0441 -6.3389 3  763.3786A32  59516140464 758 1    64 559 1      C-13-H3C(O)CH3
  495794.8629  0.0441 -4.8629 3  763.3786A32  59516140464 658 1    64 559 1      C-13-H3C(O)CH3
  495794.8629  0.0441 -4.8629 3  763.3786A32  59516140464 758 1    64 659 1      C-13-H3C(O)CH3
  495795.9645  0.0439 -5.0207 3  763.3783A32  59516140464 758 2    64 559 2      C-13-H3C(O)CH3
  495795.9645  0.0439 -5.3339 3  763.3783A32  59516140464 758 2    64 659 2      C-13-H3C(O)CH3
  495795.9645  0.0439 -5.3339 3  763.3783A32  59516140464 658 2    64 559 2      C-13-H3C(O)CH3
  495795.9645  0.0439 -5.0207 3  763.3783A32  59516140464 658 2    64 659 2      C-13-H3C(O)CH3
  495799.7841  0.0355 -6.1372 3  581.3432728  595161404453312 2    453015 2      C-13-H3C(O)CH3
  495823.8481  0.0034 -3.2641 3  197.4383424 -5951614042622 4 2    2521 4 2      C-13-H3C(O)CH3
  495825.5012  0.0036 -3.5652 3  197.3714212 -5951614042622 4 3    2521 4 3      C-13-H3C(O)CH3
  495832.3934  0.0427 -6.5408 3  581.3300364  595161404453312 3    453015 3      C-13-H3C(O)CH3
  495888.2032  0.0042 -4.5530 3  115.4849180  595161404221112 3    21 813 3      C-13-H3C(O)CH3
  495888.2959  0.0058 -4.5530 3  115.4850180  595161404221112 4    21 813 4      C-13-H3C(O)CH3
  495903.2373  0.0351 -6.4138 3  581.3560364  595161404453312 4    453015 4      C-13-H3C(O)CH3
  495903.5726  0.0141 -5.8927 3   95.7068156  5951614041915 5 3    1812 7 3      C-13-H3C(O)CH3
  495912.6412  0.1581 -5.9380 3  785.0144872  595161404543025 2    533122 2      C-13-H3C(O)CH3
  495913.7724  0.0243 -4.9133 3  763.4043A32  59516140464 758 0    64 559 0      C-13-H3C(O)CH3
  495913.7724  0.0243 -5.7063 3  763.4043A32  59516140464 658 0    64 559 0      C-13-H3C(O)CH3
  495913.7724  0.0243 -4.9133 3  763.4043A32  59516140464 658 0    64 659 0      C-13-H3C(O)CH3
  495913.7724  0.0243 -5.7063 3  763.4043A32  59516140464 758 0    64 659 0      C-13-H3C(O)CH3
  495950.7978  0.0210 -5.3072 3  202.2497440  5951614042720 8 2    2619 7 2      C-13-H3C(O)CH3
  495952.8882  0.0102 -5.4831 3   95.6874312  5951614041915 5 2    1812 7 2      C-13-H3C(O)CH3
  495981.8214  0.0030 -3.2639 3  197.3964424 -5951614042622 5 2    2521 5 2      C-13-H3C(O)CH3
  495983.8120  0.0033 -3.5650 3  197.3296212 -5951614042622 5 4    2521 5 4      C-13-H3C(O)CH3
  495989.0109  0.0042 -4.2515 3  115.4671360  595161404221012 2    21 913 2      C-13-H3C(O)CH3
  495998.7381  0.0256 -5.1473 3  724.7486508  59516140463 658 4    63 559 4      C-13-H3C(O)CH3
  495998.7381  0.0256 -5.1473 3  724.7486508  59516140463 558 4    63 459 4      C-13-H3C(O)CH3
  495999.3299  0.0253 -6.4401 3  724.7486508  59516140463 658 3    63 459 3      C-13-H3C(O)CH3
  495999.3299  0.0253 -5.1683 3  724.7486508  59516140463 658 3    63 559 3      C-13-H3C(O)CH3
  495999.3299  0.0253 -6.4401 3  724.7486508  59516140463 558 3    63 559 3      C-13-H3C(O)CH3
  495999.3299  0.0253 -5.1683 3  724.7486508  59516140463 558 3    63 459 3      C-13-H3C(O)CH3
  496000.8946  0.0029 -3.2637 3  197.4491424 -5951614042622 5 0    2521 4 0      C-13-H3C(O)CH3
  496000.8946  0.0029 -3.2637 3  197.4491424 -5951614042622 4 0    2521 5 0      C-13-H3C(O)CH3
  496002.0455  0.0029 -3.2637 3  197.3824424 -5951614042622 5 1    2521 5 1      C-13-H3C(O)CH3
  496015.6264  0.1144 -6.1558 3  928.4281936  595161404583623 2    583326 2      C-13-H3C(O)CH3
  496024.2822  0.1532 -6.1936 3  963.0342952  595161404593723 2    593426 2      C-13-H3C(O)CH3
  496025.8182  0.0041 -4.2516 3  115.4689360  595161404221012 1    21 913 1      C-13-H3C(O)CH3
  496029.4872  0.1349 -6.1558 3  928.4275936  595161404583623 1    583326 1      C-13-H3C(O)CH3
  496049.0289  0.1581 -6.1936 3  963.0333952  595161404593723 1    593426 1      C-13-H3C(O)CH3
  496059.3929  0.0225 -6.2887 3  445.5247648  595161404402713 0    402218 0      C-13-H3C(O)CH3
  496105.7695  0.0041 -4.2514 3  115.4670360  595161404221112 2    21 813 2      C-13-H3C(O)CH3
  496117.1653  0.0298 -5.3469 3  537.9550712  595161404442915 1    433014 1      C-13-H3C(O)CH3
  496131.9810  0.4874 -6.4894 3  921.9307936  595161404583424 2    573721 2      C-13-H3C(O)CH3
  496139.0104  0.0041 -4.2515 3  115.4689360  595161404221112 1    21 813 1      C-13-H3C(O)CH3
  496153.4458  0.3394 -6.4827 3  921.9294936  595161404583424 1    573721 1      C-13-H3C(O)CH3
  496162.8922  0.0140 -5.7988 3   95.7068156  5951614041915 4 3    1812 7 3      C-13-H3C(O)CH3
  496206.0066  0.0409 -5.4967 3  537.9619712  595161404442915 2    433014 2      C-13-H3C(O)CH3
  496207.0323  0.1266 -6.5541 3  968.7580476  595161404593822 4    593525 4      C-13-H3C(O)CH3
  496217.3040  0.0405 -5.7067 3  724.7667A16  59516140463 658 1    63 559 1      C-13-H3C(O)CH3
  496217.3040  0.0405 -4.9083 3  724.7667A16  59516140463 558 1    63 559 1      C-13-H3C(O)CH3
  496217.3040  0.0405 -4.9083 3  724.7667A16  59516140463 658 1    63 459 1      C-13-H3C(O)CH3
  496217.3040  0.0405 -5.7067 3  724.7667A16  59516140463 558 1    63 459 1      C-13-H3C(O)CH3
  496218.7171  0.0397 -4.8834 3  724.7663A16  59516140463 558 2    63 559 2      C-13-H3C(O)CH3
  496218.7171  0.0397 -5.9074 3  724.7663A16  59516140463 658 2    63 559 2      C-13-H3C(O)CH3
  496218.7171  0.0397 -5.9074 3  724.7663A16  59516140463 558 2    63 459 2      C-13-H3C(O)CH3
  496218.7171  0.0397 -4.8834 3  724.7663A16  59516140463 658 2    63 459 2      C-13-H3C(O)CH3
  496238.8659  0.0042 -4.2509 3  115.4511360  595161404221012 0    21 913 0      C-13-H3C(O)CH3
  496284.2528  0.0394 -6.1668 3  581.2823728  595161404453313 1    453016 1      C-13-H3C(O)CH3
  496291.8970  0.0291 -5.1936 3  686.7346500  59516140462 458 4    62 359 4      C-13-H3C(O)CH3
  496291.8970  0.0291 -5.1936 3  686.7346500  59516140462 558 4    62 459 4      C-13-H3C(O)CH3
  496291.8970  0.0291 -6.2923 3  686.7346500  59516140462 558 4    62 359 4      C-13-H3C(O)CH3
  496291.8970  0.0291 -6.2923 3  686.7346500  59516140462 458 4    62 459 4      C-13-H3C(O)CH3
  496292.4500  0.0286 -5.5458 3  686.7346500  59516140462 558 3    62 459 3      C-13-H3C(O)CH3
  496292.4500  0.0286 -5.5458 3  686.7346500  59516140462 458 3    62 359 3      C-13-H3C(O)CH3
  496292.4500  0.0286 -5.3907 3  686.7346500  59516140462 458 3    62 459 3      C-13-H3C(O)CH3
  496292.4500  0.0286 -5.3907 3  686.7346500  59516140462 558 3    62 359 3      C-13-H3C(O)CH3
  496307.0058  0.0260 -4.8477 3  202.2147220  5951614042720 8 3    2619 7 3      C-13-H3C(O)CH3
  496316.4805  0.1194 -6.0587 3 1443.7158C88  595161404802159 0    802060 0      C-13-H3C(O)CH3
  496316.4805  0.1194 -6.0397 3 1443.7158C88  595161404802159 0    802160 0      C-13-H3C(O)CH3
  496316.4805  0.1194 -6.0397 3 1443.7158C88  595161404802259 0    802060 0      C-13-H3C(O)CH3
  496316.4805  0.1194 -6.0587 3 1443.7158C88  595161404802259 0    802160 0      C-13-H3C(O)CH3
  496321.2882  0.0691 -6.4578 3  928.4333468  595161404583623 4    583326 4      C-13-H3C(O)CH3
  496334.4153  0.1335 -5.7553 3 1443.7358C88  595161404802159 1    802160 1      C-13-H3C(O)CH3
  496334.4153  0.1335 -5.7553 3 1443.7358C88  595161404802259 1    802060 1      C-13-H3C(O)CH3
  496342.2954  0.1335 -5.7483 3 1443.7370C88  595161404802259 2    802060 2      C-13-H3C(O)CH3
  496342.2954  0.1335 -5.7833 3 1443.7370C88  595161404802159 2    802160 2      C-13-H3C(O)CH3
  496356.1051  0.0042 -4.2508 3  115.4510360  595161404221112 0    21 813 0      C-13-H3C(O)CH3
  496359.6002  0.0274 -6.3333 3  445.5023648  595161404402713 1    402218 1      C-13-H3C(O)CH3
  496360.3027  0.0935 -6.1149 3 1443.7571644  595161404802159 3    802060 3      C-13-H3C(O)CH3
  496360.3027  0.0935 -6.1149 3 1443.7571644  595161404802259 3    802160 3      C-13-H3C(O)CH3
  496360.3904  0.0936 -6.2977 3 1443.7571644  595161404802259 4    802160 4      C-13-H3C(O)CH3
  496360.3904  0.0936 -6.4098 3 1443.7571644  595161404802259 4    802060 4      C-13-H3C(O)CH3
  496360.3904  0.0936 -6.2977 3 1443.7571644  595161404802159 4    802060 4      C-13-H3C(O)CH3
  496360.3904  0.0936 -6.4098 3 1443.7571644  595161404802159 4    802160 4      C-13-H3C(O)CH3
  496374.0011  0.0030 -3.7102 3  404.3183364 -59516140445 738 4    44 737 4      C-13-H3C(O)CH3
  496374.0011  0.0030 -3.8291 3  404.3183364 -59516140445 838 3    44 837 3      C-13-H3C(O)CH3
  496374.0011  0.0030 -3.8291 3  404.3183364 -59516140445 738 3    44 737 3      C-13-H3C(O)CH3
  496374.0011  0.0030 -5.3197 3  404.3183364 -59516140445 838 4    44 737 4      C-13-H3C(O)CH3
  496374.0148  0.0030 -5.3197 3  404.3183364  59516140445 738 4    44 837 4      C-13-H3C(O)CH3
  496374.0148  0.0030 -3.7102 3  404.3183364  59516140445 838 4    44 837 4      C-13-H3C(O)CH3
  496374.0792  0.0030 -4.2887 3  404.3183364  59516140445 738 3    44 837 3      C-13-H3C(O)CH3
  496374.0792  0.0030 -4.2887 3  404.3183364  59516140445 838 3    44 737 3      C-13-H3C(O)CH3
  496385.9842  0.0874 -6.4569 3  928.4334468  595161404583623 3    583326 3      C-13-H3C(O)CH3
  496388.7148  0.0380 -6.0977 3  581.2909728  595161404453313 0    453016 0      C-13-H3C(O)CH3
  496404.3868  0.0037 -3.6445 3  404.3382728  59516140445 838 1    44 837 1      C-13-H3C(O)CH3
  496404.3868  0.0037 -4.4423 3  404.3382728  59516140445 738 1    44 837 1      C-13-H3C(O)CH3
  496404.4873  0.0037 -3.4398 3  404.3382728 -59516140445 738 1    44 737 1      C-13-H3C(O)CH3
  496404.4873  0.0037 -3.7629 3  404.3382728 -59516140445 838 1    44 737 1      C-13-H3C(O)CH3
  496405.0688  0.0036 -3.8466 3  404.3377728  59516140445 838 2    44 837 2      C-13-H3C(O)CH3
  496405.0688  0.0036 -3.8466 3  404.3377728  59516140445 738 2    44 737 2      C-13-H3C(O)CH3
  496405.1136  0.0036 -3.5902 3  404.3377728 -59516140445 738 2    44 837 2      C-13-H3C(O)CH3
  496405.1136  0.0036 -3.5902 3  404.3377728 -59516140445 838 2    44 737 2      C-13-H3C(O)CH3
  496412.9580  0.0990 -6.3018 3  707.6487412  595161404512922 3    512625 3      C-13-H3C(O)CH3
  496418.1238  0.0998 -6.3018 3  707.6487412  595161404512922 4    512625 4      C-13-H3C(O)CH3
  496429.0716  0.0395 -5.9581 3  841.9856856  595161404534310 1    5244 8 1      C-13-H3C(O)CH3
  496432.0685  0.0880 -6.4971 3  963.0404476  595161404593723 4    593426 4      C-13-H3C(O)CH3
  496435.3325  0.0028 -4.0867 3  404.3575728  59516140445 838 0    44 837 0      C-13-H3C(O)CH3
  496435.3325  0.0028 -3.4984 3  404.3575728  59516140445 738 0    44 837 0      C-13-H3C(O)CH3
  496435.3954  0.0028 -3.4984 3  404.3575728 -59516140445 838 0    44 737 0      C-13-H3C(O)CH3
  496435.3954  0.0028 -4.0867 3  404.3575728 -59516140445 738 0    44 737 0      C-13-H3C(O)CH3
  496436.4123  0.0240 -5.2888 3  724.7844A16  59516140463 658 0    63 459 0      C-13-H3C(O)CH3
  496436.4123  0.0240 -5.0368 3  724.7844A16  59516140463 658 0    63 559 0      C-13-H3C(O)CH3
  496436.4123  0.0240 -5.2888 3  724.7844A16  59516140463 558 0    63 559 0      C-13-H3C(O)CH3
  496436.4123  0.0240 -5.0368 3  724.7844A16  59516140463 558 0    63 459 0      C-13-H3C(O)CH3
  496472.3440  0.1511 -6.2350 3  784.9951436  595161404543025 4    533122 4      C-13-H3C(O)CH3
  496483.0645  0.1514 -6.2349 3  784.9948436  595161404543025 3    533122 3      C-13-H3C(O)CH3
  496490.7818  0.0106 -6.3722 3   72.6533280  5951614041713 5 1    16 8 8 1      C-13-H3C(O)CH3
  496515.9424  0.0348 -5.9576 3  841.9563856  595161404534311 0    5244 8 0      C-13-H3C(O)CH3
  496515.9424  0.0348 -5.9576 3  841.9563856  595161404534310 0    5244 9 0      C-13-H3C(O)CH3
  496522.7721  0.2136 -6.5155 3  968.7582476  595161404593822 3    593525 3      C-13-H3C(O)CH3
  496530.1714  0.1266 -6.4946 3  963.0405476  595161404593723 3    593426 3      C-13-H3C(O)CH3
  496541.0463  0.0037 -3.7035 3  202.2450220 -5951614042720 7 4    2619 7 4      C-13-H3C(O)CH3
  496554.6299  0.0378 -5.5652 3  649.3119492  59516140461 358 4    61 259 4      C-13-H3C(O)CH3
  496554.6299  0.0378 -5.5652 3  649.3119492  59516140461 458 4    61 359 4      C-13-H3C(O)CH3
  496554.6299  0.0378 -5.4527 3  649.3119492  59516140461 358 4    61 359 4      C-13-H3C(O)CH3
  496554.6299  0.0378 -5.4527 3  649.3119492  59516140461 458 4    61 259 4      C-13-H3C(O)CH3
  496554.9407  0.0371 -5.4964 3  649.3119492  59516140461 358 3    61 359 3      C-13-H3C(O)CH3
  496554.9407  0.0371 -5.4964 3  649.3119492  59516140461 458 3    61 259 3      C-13-H3C(O)CH3
  496554.9407  0.0371 -5.5144 3  649.3119492  59516140461 358 3    61 259 3      C-13-H3C(O)CH3
  496554.9407  0.0371 -5.5144 3  649.3119492  59516140461 458 3    61 359 3      C-13-H3C(O)CH3
  496575.7339  0.0511 -6.2599 3  842.0028428  595161404534311 4    5244 8 4      C-13-H3C(O)CH3
  496632.0741  0.0994 -6.0014 3  707.6553824  595161404512922 2    512625 2      C-13-H3C(O)CH3
  496633.8667  0.0370 -5.0345 3  686.7404A00  59516140462 558 1    62 459 1      C-13-H3C(O)CH3
  496633.8667  0.0370 -5.3361 3  686.7404A00  59516140462 558 1    62 359 1      C-13-H3C(O)CH3
  496633.8667  0.0370 -5.3361 3  686.7404A00  59516140462 458 1    62 459 1      C-13-H3C(O)CH3
  496633.8667  0.0370 -5.0345 3  686.7404A00  59516140462 458 1    62 359 1      C-13-H3C(O)CH3
  496635.2667  0.0345 -4.8652 3  686.7400A00  59516140462 458 2    62 359 2      C-13-H3C(O)CH3
  496635.2667  0.0345 -4.8652 3  686.7400A00  59516140462 558 2    62 459 2      C-13-H3C(O)CH3
  496647.4268  0.0417 -5.9580 3  841.9711856  595161404534311 1    5244 9 1      C-13-H3C(O)CH3
  496649.5905  0.0035 -3.7350 3  202.2147220 -5951614042720 7 3    2619 7 3      C-13-H3C(O)CH3
  496653.8394  0.0421 -6.1390 3  581.2842728  595161404453313 2    453016 2      C-13-H3C(O)CH3
  496661.0206  0.0405 -5.9583 3  841.9735856  595161404534311 2    5244 9 2      C-13-H3C(O)CH3
  496686.7758  0.0030 -3.4040 3  202.2474440 -5951614042720 7 1    2619 7 1      C-13-H3C(O)CH3
  496706.2359  0.0037 -3.7346 3  202.2013220 -5951614042720 8 3    2619 8 3      C-13-H3C(O)CH3
  496737.2220  0.0561 -6.0012 3  707.6566824  595161404512922 1    512625 1      C-13-H3C(O)CH3
  496752.4165  0.0033 -3.4060 3  202.2497440 -5951614042720 7 2    2619 7 2      C-13-H3C(O)CH3
  496758.1419  0.0488 -6.2592 3  842.0046428  595161404534310 3    5244 8 3      C-13-H3C(O)CH3
  496784.5712  0.0509 -6.4170 3  581.2676364  595161404453313 4    453016 4      C-13-H3C(O)CH3
  496785.4420  0.0513 -5.4881 3  612.4817484  59516140460 258 3    60 159 3      C-13-H3C(O)CH3
  496785.4420  0.0513 -5.4881 3  612.4817484  59516140460 358 3    60 259 3      C-13-H3C(O)CH3
  496785.4420  0.0513 -5.7557 3  612.4817484  59516140460 358 3    60 159 3      C-13-H3C(O)CH3
  496785.4420  0.0513 -5.7557 3  612.4817484  59516140460 258 3    60 259 3      C-13-H3C(O)CH3
  496785.7045  0.0520 -5.3197 3  612.4818484  59516140460 358 4    60 259 4      C-13-H3C(O)CH3
  496785.7045  0.0520 -5.3197 3  612.4818484  59516140460 258 4    60 159 4      C-13-H3C(O)CH3
  496793.9309  0.0104 -6.5122 3   72.6856140  5951614041713 5 3    16 8 8 3      C-13-H3C(O)CH3
  496794.0369  0.0520 -6.2598 3  841.9883428  595161404534311 3    5244 9 3      C-13-H3C(O)CH3
  496804.3310  0.0028 -3.4005 3  202.2542440 -5951614042720 8 0    2619 7 0      C-13-H3C(O)CH3
  496815.9161  0.0032 -3.7035 3  202.1710220 -5951614042720 8 4    2619 8 4      C-13-H3C(O)CH3
  496843.8443  0.0400 -5.9576 3  841.9752856  595161404534310 2    5244 8 2      C-13-H3C(O)CH3
  496844.8431  0.0029 -3.4038 3  202.2042440 -5951614042720 8 1    2619 8 1      C-13-H3C(O)CH3
  496857.2580  0.0432 -6.5410 3  581.2937364  595161404453313 3    453016 3      C-13-H3C(O)CH3
  496878.1274  0.0031 -3.4063 3  202.2188440 -5951614042720 8 2    2619 8 2      C-13-H3C(O)CH3
  496901.2679  0.0108 -6.3727 3   72.6494280  5951614041713 5 2    16 8 8 2      C-13-H3C(O)CH3
  496937.6699  0.0272 -5.1420 3  626.0864760  595161404473315 2    463413 2      C-13-H3C(O)CH3
  496941.2901  0.0521 -6.0523 3  537.9418356  595161404442915 4    433014 4      C-13-H3C(O)CH3
  496945.0387  0.1174 -5.7073 3 1395.8072C72  595161404792159 0    791960 0      C-13-H3C(O)CH3
  496945.0387  0.1174 -5.7073 3 1395.8072C72  595161404792059 0    792060 0      C-13-H3C(O)CH3
  496951.0346  0.0591 -6.0018 3  707.6631824  595161404512922 0    512625 0      C-13-H3C(O)CH3
  496975.9040  0.0528 -6.2591 3  841.9901428  595161404534310 4    5244 9 4      C-13-H3C(O)CH3
  496976.1887  0.0253 -5.4470 3  686.7459A00  59516140462 558 0    62 459 0      C-13-H3C(O)CH3
  496976.1887  0.0253 -4.9872 3  686.7459A00  59516140462 458 0    62 459 0      C-13-H3C(O)CH3
  496976.1887  0.0253 -5.4470 3  686.7459A00  59516140462 458 0    62 359 0      C-13-H3C(O)CH3
  496976.1887  0.0253 -4.9872 3  686.7459A00  59516140462 558 0    62 359 0      C-13-H3C(O)CH3
  496980.0965  0.1352 -5.9314 3 1395.8256C72  595161404792059 1    792060 1      C-13-H3C(O)CH3
  496980.0965  0.1352 -5.9314 3 1395.8256C72  595161404792159 1    791960 1      C-13-H3C(O)CH3
  496980.0965  0.1352 -6.0080 3 1395.8256C72  595161404792159 1    792060 1      C-13-H3C(O)CH3
  496980.0965  0.1352 -6.0080 3 1395.8256C72  595161404792059 1    791960 1      C-13-H3C(O)CH3
  496982.5968  0.0719 -5.5551 3  576.2455476  59516140459 258 3    59 159 3      C-13-H3C(O)CH3
  496982.5968  0.0719 -5.5551 3  576.2455476  59516140459 158 3    59 059 3      C-13-H3C(O)CH3
  496983.9418  0.0724 -6.0463 3  576.2455476  59516140459 158 4    59 159 4      C-13-H3C(O)CH3
  496983.9418  0.0724 -6.0463 3  576.2455476  59516140459 258 4    59 059 4      C-13-H3C(O)CH3
  496983.9418  0.0724 -5.6777 3  576.2455476  59516140459 158 4    59 059 4      C-13-H3C(O)CH3
  496983.9418  0.0724 -5.6777 3  576.2455476  59516140459 258 4    59 159 4      C-13-H3C(O)CH3
  496987.4344  0.1351 -5.6745 3 1395.8264C72  595161404792159 2    791960 2      C-13-H3C(O)CH3
  496987.4344  0.1351 -5.6745 3 1395.8264C72  595161404792059 2    792060 2      C-13-H3C(O)CH3
  496990.8185  0.0298 -5.4430 3  626.0784380  595161404473315 4    463413 4      C-13-H3C(O)CH3
  497000.4035  0.0028 -3.4002 3  202.2496440 -5951614042720 7 0    2619 8 0      C-13-H3C(O)CH3
  497011.3934  0.0051 -4.4484 3  132.0260188  595161404231211 3    221112 3      C-13-H3C(O)CH3
  497019.3763  0.0070 -4.4484 3  132.0260188  595161404231211 4    221112 4      C-13-H3C(O)CH3
  497020.7674  0.0408 -6.3937 3  445.4943648  595161404402713 2    402218 2      C-13-H3C(O)CH3
  497022.5801  0.0905 -5.9895 3 1395.8448636  595161404792059 3    792060 3      C-13-H3C(O)CH3
  497022.5801  0.0905 -5.9895 3 1395.8448636  595161404792159 3    791960 3      C-13-H3C(O)CH3
  497022.6952  0.0906 -5.9683 3 1395.8449636  595161404792159 4    791960 4      C-13-H3C(O)CH3
  497022.6952  0.0906 -5.9683 3 1395.8449636  595161404792059 4    792060 4      C-13-H3C(O)CH3
  497045.9507  0.0436 -4.9522 3  649.3004984  59516140461 458 1    61 259 1      C-13-H3C(O)CH3
  497045.9507  0.0436 -5.8661 3  649.3004984  59516140461 458 1    61 359 1      C-13-H3C(O)CH3
  497045.9507  0.0436 -5.8661 3  649.3004984  59516140461 358 1    61 259 1      C-13-H3C(O)CH3
  497045.9507  0.0436 -4.9522 3  649.3004984  59516140461 358 1    61 359 1      C-13-H3C(O)CH3
  497046.7894  0.0392 -4.9195 3  649.3000984  59516140461 458 2    61 259 2      C-13-H3C(O)CH3
  497046.7894  0.0392 -4.9195 3  649.3000984  59516140461 358 2    61 359 2      C-13-H3C(O)CH3
  497046.7894  0.0392 -6.3082 3  649.3000984  59516140461 458 2    61 359 2      C-13-H3C(O)CH3
  497046.7894  0.0392 -6.3082 3  649.3000984  59516140461 358 2    61 259 2      C-13-H3C(O)CH3
  497048.0129  0.0261 -5.1422 3  626.0792760  595161404473315 0    463412 0      C-13-H3C(O)CH3
  497048.7436  0.0256 -4.8468 3  202.2013220  5951614042720 7 3    2619 8 3      C-13-H3C(O)CH3
  497071.9594  0.0261 -5.1422 3  626.0792760  595161404473314 0    463413 0      C-13-H3C(O)CH3
  497075.8418  0.0826 -6.4754 3  626.1064380  595161404473315 3    463412 3      C-13-H3C(O)CH3
  497076.7206  0.0280 -5.4854 3  626.1063380  595161404473315 3    463413 3      C-13-H3C(O)CH3
  497095.2657  0.0048 -4.1471 3  132.0153376  595161404231211 2    221112 2      C-13-H3C(O)CH3
  497111.8765  0.0275 -5.1423 3  626.0713760  595161404473315 1    463413 1      C-13-H3C(O)CH3
  497193.6853  0.0047 -4.1470 3  132.0183376  595161404231211 1    221112 1      C-13-H3C(O)CH3
  497200.7413  0.0264 -5.1424 3  626.0991760  595161404473314 1    463412 1      C-13-H3C(O)CH3
  497256.6357  0.0246 -5.1420 3  626.1143760  595161404473314 2    463412 2      C-13-H3C(O)CH3
  497274.2049  0.0047 -4.1467 3  132.0076376  595161404231211 0    221112 0      C-13-H3C(O)CH3
  497301.7569  0.0314 -6.4881 3  511.9904340  595161404423211 3    422913 3      C-13-H3C(O)CH3
  497308.1037  0.0235 -5.4853 3  626.1064380  595161404473314 3    463412 3      C-13-H3C(O)CH3
  497308.9824  0.0784 -6.4752 3  626.1063380  595161404473314 3    463413 3      C-13-H3C(O)CH3
  497356.7239  0.0326 -6.4709 3  512.0159340  595161404423210 4    422913 4      C-13-H3C(O)CH3
  497361.1727  0.0291 -6.1733 3  512.0128680  595161404423210 2    422913 2      C-13-H3C(O)CH3
  497379.4329  0.0431 -6.2324 3  596.5009380  595161404472621 3    472324 3      C-13-H3C(O)CH3
  497382.1247  0.0436 -6.2324 3  596.5008380  595161404472621 4    472324 4      C-13-H3C(O)CH3
  497388.2203  0.0076 -5.2448 3   95.6720312  5951614041915 4 0    1812 7 0      C-13-H3C(O)CH3
  497392.8646  0.0416 -5.9321 3  596.5161760  595161404472621 2    472324 2      C-13-H3C(O)CH3
  497396.2302  0.0265 -5.4431 3  626.1342380  595161404473314 4    463412 4      C-13-H3C(O)CH3
  497404.0574  0.0291 -6.1723 3  511.9938680  595161404423210 0    422913 0      C-13-H3C(O)CH3
  497422.6807  0.0050 -5.3146 3  102.7039164  5951614042014 6 3    1911 9 3      C-13-H3C(O)CH3
  497440.9081  0.3804 -6.4492 3  921.9039936  595161404583424 0    573721 0      C-13-H3C(O)CH3
  497444.8344  0.0313 -6.1765 3  511.9682680  595161404423211 1    422914 1      C-13-H3C(O)CH3
  497454.4477  0.0644 -5.2018 3  612.4467968  59516140460 258 2    60 159 2      C-13-H3C(O)CH3
  497454.4477  0.0644 -5.4244 3  612.4467968  59516140460 258 2    60 259 2      C-13-H3C(O)CH3
  497454.4477  0.0644 -5.4244 3  612.4467968  59516140460 358 2    60 159 2      C-13-H3C(O)CH3
  497454.4477  0.0644 -5.2018 3  612.4467968  59516140460 358 2    60 259 2      C-13-H3C(O)CH3
  497454.9842  0.0690 -5.1026 3  612.4471968  59516140460 258 1    60 159 1      C-13-H3C(O)CH3
  497454.9842  0.0690 -5.1026 3  612.4471968  59516140460 358 1    60 259 1      C-13-H3C(O)CH3
  497454.9842  0.0690 -5.6681 3  612.4471968  59516140460 258 1    60 259 1      C-13-H3C(O)CH3
  497454.9842  0.0690 -5.6681 3  612.4471968  59516140460 358 1    60 159 1      C-13-H3C(O)CH3
  497462.8424  0.0029 -4.6051 3  409.9936372 -59516140446 640 4    45 739 4      C-13-H3C(O)CH3
  497462.8424  0.0029 -3.7395 3  409.9936372 -59516140446 740 4    45 739 4      C-13-H3C(O)CH3
  497462.8424  0.0029 -3.8203 3  409.9936372 -59516140446 640 3    45 739 3      C-13-H3C(O)CH3
  497462.8424  0.0029 -3.8203 3  409.9936372 -59516140446 740 3    45 639 3      C-13-H3C(O)CH3
  497462.8665  0.0029 -3.7395 3  409.9936372  59516140446 640 4    45 639 4      C-13-H3C(O)CH3
  497462.8665  0.0029 -4.6051 3  409.9936372  59516140446 740 4    45 639 4      C-13-H3C(O)CH3
  497462.9214  0.0029 -4.2537 3  409.9936372  59516140446 640 3    45 639 3      C-13-H3C(O)CH3
  497462.9214  0.0029 -4.2537 3  409.9936372  59516140446 740 3    45 739 3      C-13-H3C(O)CH3
  497467.4580  0.0300 -6.1751 3  511.9947680  595161404423210 1    422913 1      C-13-H3C(O)CH3
  497485.2724  0.0237 -5.9317 3  596.5182760  595161404472621 1    472324 1      C-13-H3C(O)CH3
  497495.3811  0.0036 -3.9091 3  410.0094744  59516140446 640 1    45 639 1      C-13-H3C(O)CH3
  497495.3811  0.0036 -3.9091 3  410.0094744  59516140446 740 1    45 739 1      C-13-H3C(O)CH3
  497495.3850  0.0036 -3.5364 3  410.0094744 -59516140446 740 1    45 639 1      C-13-H3C(O)CH3
  497495.3850  0.0036 -3.5364 3  410.0094744 -59516140446 640 1    45 739 1      C-13-H3C(O)CH3
  497495.8869  0.0035 -3.6158 3  410.0089744  59516140446 740 2    45 739 2      C-13-H3C(O)CH3
  497495.8869  0.0035 -3.6158 3  410.0089744  59516140446 640 2    45 639 2      C-13-H3C(O)CH3
  497495.9369  0.0035 -3.7649 3  410.0089744 -59516140446 740 2    45 639 2      C-13-H3C(O)CH3
  497495.9369  0.0035 -3.7649 3  410.0089744 -59516140446 640 2    45 739 2      C-13-H3C(O)CH3
  497496.7866  0.0237 -5.9324 3  596.5334760  595161404472621 0    472324 0      C-13-H3C(O)CH3
  497510.3047  0.0955 -6.1375 3  765.1624840  595161404523616 0    523319 0      C-13-H3C(O)CH3
  497528.2811  0.0028 -3.5593 3  410.0246744 -59516140446 640 0    45 739 0      C-13-H3C(O)CH3
  497528.2811  0.0028 -3.5593 3  410.0246744 -59516140446 740 0    45 639 0      C-13-H3C(O)CH3
  497528.2965  0.0028 -3.8596 3  410.0246744  59516140446 740 0    45 739 0      C-13-H3C(O)CH3
  497528.2965  0.0028 -3.8596 3  410.0246744  59516140446 640 0    45 639 0      C-13-H3C(O)CH3
  497536.9674  0.0339 -6.4958 3  649.2886984  59516140461 458 0    61 259 0      C-13-H3C(O)CH3
  497536.9674  0.0339 -6.4958 3  649.2886984  59516140461 358 0    61 359 0      C-13-H3C(O)CH3
  497536.9674  0.0339 -4.9123 3  649.2886984  59516140461 358 0    61 259 0      C-13-H3C(O)CH3
  497536.9674  0.0339 -4.9123 3  649.2886984  59516140461 458 0    61 359 0      C-13-H3C(O)CH3
  497551.7655  0.1138 -5.6594 3 1348.4735C56  595161404781959 0    781860 0      C-13-H3C(O)CH3
  497551.7655  0.1138 -5.6594 3 1348.4735C56  595161404782059 0    781960 0      C-13-H3C(O)CH3
  497551.7655  0.1138 -6.4086 3 1348.4735C56  595161404781959 0    781960 0      C-13-H3C(O)CH3
  497551.7655  0.1138 -6.4086 3 1348.4735C56  595161404782059 0    781860 0      C-13-H3C(O)CH3
  497571.8997  0.0290 -6.1721 3  511.9882680  595161404423211 0    422914 0      C-13-H3C(O)CH3
  497604.7597  0.1339 -6.5225 3 1348.4894C56  595161404782059 1    781860 1      C-13-H3C(O)CH3
  497604.7597  0.1339 -5.6418 3 1348.4894C56  595161404782059 1    781960 1      C-13-H3C(O)CH3
  497604.7597  0.1339 -6.5225 3 1348.4894C56  595161404781959 1    781960 1      C-13-H3C(O)CH3
  497604.7597  0.1339 -5.6418 3 1348.4894C56  595161404781959 1    781860 1      C-13-H3C(O)CH3
  497611.3185  0.1338 -5.6291 3 1348.4900C56  595161404781959 2    781860 2      C-13-H3C(O)CH3
  497611.3185  0.1338 -5.6291 3 1348.4900C56  595161404782059 2    781960 2      C-13-H3C(O)CH3
  497664.4159  0.0870 -6.0031 3 1348.5059628  595161404782059 3    781860 3      C-13-H3C(O)CH3
  497664.4159  0.0870 -6.5258 3 1348.5059628  595161404782059 3    781960 3      C-13-H3C(O)CH3
  497664.4159  0.0870 -6.5258 3 1348.5059628  595161404781959 3    781860 3      C-13-H3C(O)CH3
  497664.4159  0.0870 -6.0031 3 1348.5059628  595161404781959 3    781960 3      C-13-H3C(O)CH3
  497664.5583  0.0871 -6.3299 3 1348.5059628  595161404782059 4    781860 4      C-13-H3C(O)CH3
  497664.5583  0.0871 -6.0846 3 1348.5059628  595161404781959 4    781860 4      C-13-H3C(O)CH3
  497664.5583  0.0871 -6.0846 3 1348.5059628  595161404782059 4    781960 4      C-13-H3C(O)CH3
  497664.5583  0.0871 -6.3299 3 1348.5059628  595161404781959 4    781960 4      C-13-H3C(O)CH3
  497672.2888  0.0959 -6.5180 3  765.1693840  595161404523617 1    523319 1      C-13-H3C(O)CH3
  497679.7909  0.0205 -5.3046 3  202.2188440  5951614042720 7 2    2619 8 2      C-13-H3C(O)CH3
  497721.9225  0.0120 -5.6343 3   95.6868312  5951614041915 4 1    1812 7 1      C-13-H3C(O)CH3
  497752.7491  0.0367 -6.4753 3  511.9503340  595161404423211 4    422914 4      C-13-H3C(O)CH3
  497808.4025  0.0314 -6.1762 3  511.9730680  595161404423211 2    422914 2      C-13-H3C(O)CH3
  497810.6157  0.0337 -6.4897 3  511.9758340  595161404423210 3    422914 3      C-13-H3C(O)CH3
  497812.7954  0.0148 -3.9981 3  328.1931568  595161404352015 2    342114 2      C-13-H3C(O)CH3
  497817.6503  0.0118 -5.6164 3   95.6874312  5951614041915 4 2    1812 7 2      C-13-H3C(O)CH3
  497849.0582  0.0030 -3.9444 3  333.0898292  595161404361719 4    351818 4      C-13-H3C(O)CH3
  497849.2005  0.0031 -3.9444 3  333.0898292  595161404361719 3    351818 3      C-13-H3C(O)CH3
  497857.6867  0.0032 -3.8988 3  344.5341300  595161404371621 4    361720 4      C-13-H3C(O)CH3
  497857.8156  0.0032 -3.8988 3  344.5341300  595161404371621 3    361720 3      C-13-H3C(O)CH3
  497858.9304  0.0032 -3.8988 3  344.5341300  595161404371721 4    361620 4      C-13-H3C(O)CH3
  497859.0112  0.1095 -6.5337 3  765.1705840  595161404523617 2    523319 2      C-13-H3C(O)CH3
  497859.0647  0.0032 -3.8988 3  344.5341300  595161404371721 3    361620 3      C-13-H3C(O)CH3
  497859.3820  0.1084 -5.3674 3  576.1806952  59516140459 258 2    59 059 2      C-13-H3C(O)CH3
  497859.3820  0.1084 -5.3674 3  576.1806952  59516140459 158 2    59 159 2      C-13-H3C(O)CH3
  497859.3820  0.1084 -5.7602 3  576.1806952  59516140459 158 2    59 059 2      C-13-H3C(O)CH3
  497859.3820  0.1084 -5.7602 3  576.1806952  59516140459 258 2    59 159 2      C-13-H3C(O)CH3
  497862.4151  0.1125 -5.2206 3  576.1809952  59516140459 158 1    59 059 1      C-13-H3C(O)CH3
  497862.4151  0.1125 -5.2206 3  576.1809952  59516140459 258 1    59 159 1      C-13-H3C(O)CH3
  497866.3846  0.0031 -3.6433 3  333.1175584  595161404361719 1    351818 1      C-13-H3C(O)CH3
  497871.1239  0.7194 -6.5390 3 1145.9614A32  595161404644222 0    643925 0      C-13-H3C(O)CH3
  497871.9148  0.0033 -3.5978 3  344.5622600  595161404371621 1    361720 1      C-13-H3C(O)CH3
  497872.5090  0.0184 -4.2982 3  328.1728284  595161404352015 3    342114 3      C-13-H3C(O)CH3
  497873.0912  0.0033 -3.5978 3  344.5621600  595161404371721 1    361620 1      C-13-H3C(O)CH3
  497880.0187  0.0032 -3.6435 3  333.1134584  595161404361719 2    351818 2      C-13-H3C(O)CH3
  497881.0260  0.0034 -3.5979 3  344.5592600  595161404371621 2    361720 2      C-13-H3C(O)CH3
  497882.2573  0.0034 -3.5979 3  344.5591600  595161404371721 2    361620 2      C-13-H3C(O)CH3
  497882.8061  0.0156 -4.2980 3  328.1727284  595161404352015 4    342114 4      C-13-H3C(O)CH3
  497895.0773  0.0028 -3.5979 3  344.5872600  595161404371621 0    361720 0      C-13-H3C(O)CH3
  497896.2375  0.0028 -3.5979 3  344.5871600  595161404371721 0    361620 0      C-13-H3C(O)CH3
  497897.1187  0.0027 -3.6435 3  333.1411584  595161404361719 0    351818 0      C-13-H3C(O)CH3
  497910.2313  0.0030 -3.9442 3  333.0882292  595161404361819 4    351718 4      C-13-H3C(O)CH3
  497910.5342  0.0030 -3.9443 3  333.0882292  595161404361819 3    351718 3      C-13-H3C(O)CH3
  497925.5002  0.0031 -3.6432 3  333.1160584  595161404361819 1    351718 1      C-13-H3C(O)CH3
  497941.2838  0.0032 -3.6433 3  333.1118584  595161404361819 2    351718 2      C-13-H3C(O)CH3
  497956.0074  0.0027 -3.6433 3  333.1395584 -595161404361819 0    351718 0      C-13-H3C(O)CH3
  497982.9392  0.0175 -5.5856 3  202.2042440  5951614042720 7 1    2619 8 1      C-13-H3C(O)CH3
  498018.6208  0.1445 -6.4398 3  997.9338984  595161404613329 0    603426 0      C-13-H3C(O)CH3
  498058.6822  0.0118 -3.9967 3  328.2174568  595161404352015 0    342114 0      C-13-H3C(O)CH3
  498064.8330  0.0033 -4.0137 3  320.9282284  595161404351817 3    341916 3      C-13-H3C(O)CH3
  498065.6552  0.0032 -4.0137 3  320.9282284  595161404351817 4    341916 4      C-13-H3C(O)CH3
  498088.8269  0.0062 -5.0714 3  102.6863328  5951614042014 6 1    1911 9 1      C-13-H3C(O)CH3
  498102.7059  0.0031 -3.7126 3  320.9551568  595161404351817 1    341916 1      C-13-H3C(O)CH3
  498106.1534  0.0034 -3.7129 3  320.9495568  595161404351817 2    341916 2      C-13-H3C(O)CH3
  498109.7114  0.0062 -5.0545 3  102.6831328  5951614042014 6 2    1911 9 2      C-13-H3C(O)CH3
  498117.5395  0.0138 -3.9957 3  328.1971568  595161404352015 1    342114 1      C-13-H3C(O)CH3
  498122.6312  0.0547 -4.9998 3  612.4121968  59516140460 258 0    60 159 0      C-13-H3C(O)CH3
  498122.6312  0.0547 -5.0075 3  612.4121968  59516140460 358 0    60 259 0      C-13-H3C(O)CH3
  498138.0062  0.1082 -5.7070 3 1301.7156C40  595161404771959 0    771760 0      C-13-H3C(O)CH3
  498138.0062  0.1082 -5.7070 3 1301.7156C40  595161404771859 0    771860 0      C-13-H3C(O)CH3
  498138.0062  0.1082 -5.9532 3 1301.7156C40  595161404771959 0    771860 0      C-13-H3C(O)CH3
  498138.0062  0.1082 -5.9532 3 1301.7156C40  595161404771859 0    771760 0      C-13-H3C(O)CH3
  498143.8477  0.0028 -3.7128 3  320.9765568  595161404351817 0    341916 0      C-13-H3C(O)CH3
  498183.6409  0.0262 -5.3633 3  691.4029792  595161404493614 0    483711 0      C-13-H3C(O)CH3
  498183.9861  0.0262 -5.3633 3  691.4029792  595161404493613 0    483712 0      C-13-H3C(O)CH3
  498209.1599  0.1294 -5.6350 3 1301.7282C40  595161404771959 1    771860 1      C-13-H3C(O)CH3
  498209.1599  0.1294 -5.6350 3 1301.7282C40  595161404771859 1    771760 1      C-13-H3C(O)CH3
  498209.1599  0.1294 -6.1187 3 1301.7282C40  595161404771959 1    771760 1      C-13-H3C(O)CH3
  498209.1599  0.1294 -6.1187 3 1301.7282C40  595161404771859 1    771860 1      C-13-H3C(O)CH3
  498214.7645  0.1293 -5.5727 3 1301.7285C40  595161404771859 2    771760 2      C-13-H3C(O)CH3
  498214.7645  0.1293 -5.5727 3 1301.7285C40  595161404771959 2    771860 2      C-13-H3C(O)CH3
  498214.7645  0.1293 -6.3943 3 1301.7285C40  595161404771959 2    771760 2      C-13-H3C(O)CH3
  498214.7645  0.1293 -6.3943 3 1301.7285C40  595161404771859 2    771860 2      C-13-H3C(O)CH3
  498217.2065  0.0048 -5.0087 3  102.6657328  5951614042014 6 0    1911 9 0      C-13-H3C(O)CH3
  498231.6873  0.0659 -5.9612 3  564.6650728  595161404453016 2    443113 2      C-13-H3C(O)CH3
  498247.2817  0.0276 -5.3630 3  691.4205792  595161404493614 2    483712 2      C-13-H3C(O)CH3
  498286.0358  0.0830 -5.8583 3 1301.7411620  595161404771859 3    771860 3      C-13-H3C(O)CH3
  498286.0358  0.0830 -5.8583 3 1301.7411620  595161404771959 3    771760 3      C-13-H3C(O)CH3
  498286.2043  0.0831 -6.0140 3 1301.7412620  595161404771959 4    771860 4      C-13-H3C(O)CH3
  498286.2043  0.0831 -6.2431 3 1301.7412620  595161404771959 4    771760 4      C-13-H3C(O)CH3
  498286.2043  0.0831 -6.0140 3 1301.7412620  595161404771859 4    771760 4      C-13-H3C(O)CH3
  498286.2043  0.0831 -6.2431 3 1301.7412620  595161404771859 4    771860 4      C-13-H3C(O)CH3
  498301.3879  0.0174 -6.0281 3   95.6978156  5951614041915 4 4    1812 7 4      C-13-H3C(O)CH3
  498307.0930  0.0095 -5.4379 3  102.7036164  5951614042014 6 4    1911 9 4      C-13-H3C(O)CH3
  498310.6351  0.0033 -3.8640 3  355.3261308  595161404381523 4    371622 4      C-13-H3C(O)CH3
  498310.6528  0.0033 -3.8640 3  355.3261308  595161404381623 4    371522 4      C-13-H3C(O)CH3
  498310.7359  0.0033 -3.8640 3  355.3261308  595161404381523 3    371622 3      C-13-H3C(O)CH3
  498310.7537  0.0033 -3.8640 3  355.3261308  595161404381623 3    371522 3      C-13-H3C(O)CH3
  498321.5649  0.0271 -5.3633 3  691.4036792  595161404493614 1    483712 1      C-13-H3C(O)CH3
  498323.8489  0.0285 -5.3635 3  691.4277792  595161404493613 1    483711 1      C-13-H3C(O)CH3
  498323.8512  0.0035 -3.5630 3  355.3544616 -595161404381623 1    371522 1      C-13-H3C(O)CH3
  498323.8512  0.0035 -3.5630 3  355.3544616 -595161404381523 1    371622 1      C-13-H3C(O)CH3
  498329.2395  0.0076 -6.1355 3   72.6170280  5951614041713 5 0    16 8 8 0      C-13-H3C(O)CH3
  498330.0329  0.0035 -3.5631 3  355.3521616 -595161404381523 2    371622 2      C-13-H3C(O)CH3
  498330.0329  0.0035 -3.5631 3  355.3521616 -595161404381623 2    371522 2      C-13-H3C(O)CH3
  498343.1386  0.0029 -3.5631 3  355.3804616 -595161404381623 0    371522 0      C-13-H3C(O)CH3
  498343.1386  0.0029 -3.5631 3  355.3804616 -595161404381523 0    371622 0      C-13-H3C(O)CH3
  498349.0758  0.1940 -6.4370 3  997.9346984  595161404613329 2    603426 2      C-13-H3C(O)CH3
  498371.5166  0.1358 -6.4370 3  997.9322984  595161404613329 1    603426 1      C-13-H3C(O)CH3
  498384.0840  0.1558 -6.3101 3  822.7723444  595161404553124 3    543421 3      C-13-H3C(O)CH3
  498384.6853  0.0299 -5.6640 3  691.4211396  595161404493614 4    483712 4      C-13-H3C(O)CH3
  498386.1398  0.0320 -5.6642 3  691.4453396  595161404493613 3    483711 3      C-13-H3C(O)CH3
  498394.2912  0.0125 -5.9246 3  468.8159680  595161404422220 0    421923 0      C-13-H3C(O)CH3
  498415.1785  0.0168 -5.9246 3  468.7892680  595161404422220 2    421923 2      C-13-H3C(O)CH3
  498474.7725  0.0287 -5.3633 3  691.4362792  595161404493613 2    483711 2      C-13-H3C(O)CH3
  498478.3297  0.0135 -5.9239 3  468.7917680  595161404422220 1    421923 1      C-13-H3C(O)CH3
  498482.4281  0.1110 -6.3717 3  765.1693840  595161404523616 1    523319 1      C-13-H3C(O)CH3
  498499.3101  0.0177 -6.2249 3  468.7650340  595161404422220 3    421923 3      C-13-H3C(O)CH3
  498500.0055  0.0178 -6.2249 3  468.7650340  595161404422220 4    421923 4      C-13-H3C(O)CH3
  498533.1372  0.1310 -6.3136 3  822.7675444  595161404553124 4    543421 4      C-13-H3C(O)CH3
  498562.1886  0.0028 -4.7297 3  415.1278380 -59516140447 642 4    46 541 4      C-13-H3C(O)CH3
  498562.1886  0.0028 -4.1687 3  415.1277380 -59516140447 642 3    46 641 3      C-13-H3C(O)CH3
  498562.1886  0.0028 -3.7080 3  415.1278380 -59516140447 542 4    46 541 4      C-13-H3C(O)CH3
  498562.1886  0.0028 -4.1687 3  415.1277380 -59516140447 542 3    46 541 3      C-13-H3C(O)CH3
  498562.2019  0.0028 -3.7080 3  415.1278380  59516140447 642 4    46 641 4      C-13-H3C(O)CH3
  498562.2019  0.0028 -4.7297 3  415.1278380  59516140447 542 4    46 641 4      C-13-H3C(O)CH3
  498562.2439  0.0028 -3.8335 3  415.1277380  59516140447 642 3    46 541 3      C-13-H3C(O)CH3
  498562.2439  0.0028 -3.8335 3  415.1277380  59516140447 542 3    46 641 3      C-13-H3C(O)CH3
  498596.1220  0.0036 -4.3457 3  415.1378760  59516140447 542 1    46 541 1      C-13-H3C(O)CH3
  498596.1220  0.0036 -4.3457 3  415.1378760  59516140447 642 1    46 641 1      C-13-H3C(O)CH3
  498596.3101  0.0036 -3.4157 3  415.1378760 -59516140447 542 1    46 641 1      C-13-H3C(O)CH3
  498596.3101  0.0036 -3.4157 3  415.1378760 -59516140447 642 1    46 541 1      C-13-H3C(O)CH3
  498596.4768  0.0035 -3.3676 3  415.1374760  59516140447 642 2    46 641 2      C-13-H3C(O)CH3
  498596.4768  0.0035 -3.3676 3  415.1374760  59516140447 542 2    46 541 2      C-13-H3C(O)CH3
  498611.6221  0.0309 -5.6643 3  691.4370396  595161404493614 3    483712 3      C-13-H3C(O)CH3
  498615.2472  0.0370 -5.6645 3  691.4610396  595161404493613 4    483711 4      C-13-H3C(O)CH3
  498620.1776  0.0329 -5.7709 3  800.5786840  595161404524111 0    514210 0      C-13-H3C(O)CH3
  498620.1776  0.0329 -5.7709 3  800.5786840  595161404524112 0    5142 9 0      C-13-H3C(O)CH3
  498624.7480  0.0373 -5.7714 3  800.6066840  595161404524111 1    5142 9 1      C-13-H3C(O)CH3
  498630.2963  0.0027 -4.0816 3  415.1474760 -59516140447 542 0    46 641 0      C-13-H3C(O)CH3
  498630.2963  0.0027 -4.0816 3  415.1474760 -59516140447 642 0    46 541 0      C-13-H3C(O)CH3
  498630.2986  0.0027 -3.4606 3  415.1474760  59516140447 642 0    46 641 0      C-13-H3C(O)CH3
  498630.2986  0.0027 -3.4606 3  415.1474760  59516140447 542 0    46 541 0      C-13-H3C(O)CH3
  498664.7189  0.0488 -5.9968 3  738.4202840  595161404523122 0    522825 0      C-13-H3C(O)CH3
  498667.3811  0.0098 -6.5011 3   72.6533280  5951614041713 4 1    16 8 8 1      C-13-H3C(O)CH3
  498696.0853  0.0029 -6.2699 3  209.1635228  595161404281811 4    271711 4      C-13-H3C(O)CH3
  498705.2593  0.1007 -5.8554 3 1255.5344C24  595161404761859 0    761660 0      C-13-H3C(O)CH3
  498705.2593  0.1007 -5.6472 3 1255.5344C24  595161404761859 0    761760 0      C-13-H3C(O)CH3
  498705.2593  0.1007 -5.8554 3 1255.5344C24  595161404761759 0    761760 0      C-13-H3C(O)CH3
  498705.2593  0.1007 -5.6472 3 1255.5344C24  595161404761759 0    761660 0      C-13-H3C(O)CH3
  498709.0843  0.0132 -3.9405 3  212.2501228  595161404281910 4    2718 9 4      C-13-H3C(O)CH3
  498710.2163  0.0513 -5.9963 3  738.4148840  595161404523122 2    522825 2      C-13-H3C(O)CH3
  498721.8521  0.0449 -5.7271 3  564.6468728  595161404453016 1    443113 1      C-13-H3C(O)CH3
  498727.5710  0.0515 -5.9961 3  738.4159840  595161404523122 1    522825 1      C-13-H3C(O)CH3
  498737.0258  0.0898 -6.1879 3  576.1161952  59516140459 158 0    59 059 0      C-13-H3C(O)CH3
  498737.0258  0.0898 -6.1879 3  576.1161952  59516140459 258 0    59 159 0      C-13-H3C(O)CH3
  498737.0258  0.0898 -5.2671 3  576.1161952  59516140459 158 0    59 159 0      C-13-H3C(O)CH3
  498737.0258  0.0898 -5.2671 3  576.1161952  59516140459 258 0    59 059 0      C-13-H3C(O)CH3
  498742.8339  0.2086 -6.5308 3 1883.9559E32  595161404893060 1    892961 1      C-13-H3C(O)CH3
  498759.7285  0.0279 -6.3444 3  202.1710220  5951614042720 7 4    2619 8 4      C-13-H3C(O)CH3
  498769.2474  0.0529 -6.2967 3  738.4104420  595161404523122 4    522825 4      C-13-H3C(O)CH3
  498776.6940  0.0030 -6.2810 3  209.1773456  595161404281811 1    271711 1      C-13-H3C(O)CH3
  498781.5376  0.0517 -6.2967 3  738.4105420  595161404523122 3    522825 3      C-13-H3C(O)CH3
  498794.0722  0.1215 -5.9789 3 1255.5430C24  595161404761759 1    761660 1      C-13-H3C(O)CH3
  498794.0722  0.1215 -5.5851 3 1255.5430C24  595161404761859 1    761660 1      C-13-H3C(O)CH3
  498794.0722  0.1215 -5.4760 3 1255.5430C24  595161404761859 1    761760 1      C-13-H3C(O)CH3
  498794.0722  0.1215 -6.5116 3 1255.5430C24  595161404761759 1    761760 1      C-13-H3C(O)CH3
  498794.6678  0.0369 -5.7712 3  800.5901840  595161404524112 1    514210 1      C-13-H3C(O)CH3
  498795.5355  0.0099 -6.5095 3   72.6494280  5951614041713 4 2    16 8 8 2      C-13-H3C(O)CH3
  498795.8521  0.0125 -5.9240 3  468.8159680  595161404422320 0    422023 0      C-13-H3C(O)CH3
  498798.6153  0.1216 -6.4356 3 1255.5431C24  595161404761859 2    761660 2      C-13-H3C(O)CH3
  498798.6153  0.1216 -5.4838 3 1255.5431C24  595161404761759 2    761660 2      C-13-H3C(O)CH3
  498798.6153  0.1216 -5.4838 3 1255.5431C24  595161404761859 2    761760 2      C-13-H3C(O)CH3
  498798.6153  0.1216 -6.4356 3 1255.5431C24  595161404761759 2    761760 2      C-13-H3C(O)CH3
  498834.0381  0.0161 -5.9241 3  468.7892680  595161404422320 2    422023 2      C-13-H3C(O)CH3
  498835.8849  0.0091 -3.7934 3  256.3715504  595161404311913 1    301812 1      C-13-H3C(O)CH3
  498836.6573  0.0102 -4.0942 3  256.3498252  595161404311913 3    301812 3      C-13-H3C(O)CH3
  498838.6686  0.0114 -4.0940 3  256.3496252  595161404311913 4    301812 4      C-13-H3C(O)CH3
  498852.0637  0.1481 -6.3621 3  765.1705840  595161404523616 2    523319 2      C-13-H3C(O)CH3
  498860.4540  0.0361 -5.7714 3  800.6004840  595161404524112 2    5142 9 2      C-13-H3C(O)CH3
  498866.8911  0.0466 -6.0729 3  800.6283420  595161404524111 4    5142 9 4      C-13-H3C(O)CH3
  498887.3759  0.0136 -5.9234 3  468.7917680  595161404422320 1    422023 1      C-13-H3C(O)CH3
  498887.5588  0.0785 -5.8587 3 1255.5517612  595161404761859 3    761760 3      C-13-H3C(O)CH3
  498887.5588  0.0785 -5.8021 3 1255.5517612  595161404761759 3    761660 3      C-13-H3C(O)CH3
  498887.5588  0.0785 -6.3557 3 1255.5517612  595161404761859 3    761660 3      C-13-H3C(O)CH3
  498887.7506  0.0786 -6.0740 3 1255.5517612  595161404761759 4    761660 4      C-13-H3C(O)CH3
  498887.7506  0.0786 -6.0078 3 1255.5517612  595161404761759 4    761760 4      C-13-H3C(O)CH3
  498887.7506  0.0786 -5.9615 3 1255.5517612  595161404761859 4    761660 4      C-13-H3C(O)CH3
  498887.7506  0.0786 -6.1350 3 1255.5517612  595161404761859 4    761760 4      C-13-H3C(O)CH3
  498888.0006  0.1602 -6.2034 3  939.6648936  595161404583821 0    583524 0      C-13-H3C(O)CH3
  498912.4042  0.0361 -5.7708 3  800.6003840  595161404524111 2    514210 2      C-13-H3C(O)CH3
  498917.5719  0.0451 -6.0723 3  800.6284420  595161404524111 3    5142 9 3      C-13-H3C(O)CH3
  498924.2369  0.0151 -6.3663 3   81.0558140  5951614041716 2 4    1613 4 4      C-13-H3C(O)CH3
  498925.9916  0.0169 -6.2243 3  468.7650340  595161404422320 4    422023 4      C-13-H3C(O)CH3
  498926.0942  0.0169 -6.2243 3  468.7650340  595161404422320 3    422023 3      C-13-H3C(O)CH3
  498952.3113  0.0145 -6.3747 3   81.1327140  5951614041716 1 3    1613 3 3      C-13-H3C(O)CH3
  498982.1780  0.1201 -6.1268 3  894.3455920  595161404573523 0    573226 0      C-13-H3C(O)CH3
  498991.3484  0.0068 -3.5905 3  212.2616456  595161404281910 1    2718 9 1      C-13-H3C(O)CH3
  499007.7069  0.0034 -3.8357 3  365.5067316  595161404391425 4    381524 4      C-13-H3C(O)CH3
  499007.7071  0.0034 -3.8357 3  365.5067316  595161404391525 4    381424 4      C-13-H3C(O)CH3
  499007.7948  0.0034 -3.8357 3  365.5067316  595161404391425 3    381524 3      C-13-H3C(O)CH3
  499007.7950  0.0034 -3.8357 3  365.5067316  595161404391525 3    381424 3      C-13-H3C(O)CH3
  499011.9039  0.1690 -6.0068 3  822.7574888  595161404553124 2    543421 2      C-13-H3C(O)CH3
  499014.9888  0.0064 -3.8598 3  212.2462228  595161404281910 3    2718 9 3      C-13-H3C(O)CH3
  499017.3729  0.0591 -5.7038 3  564.6482364  595161404453016 3    443113 3      C-13-H3C(O)CH3
  499021.0442  0.0036 -3.5347 3  365.5351632  595161404391425 1    381524 1      C-13-H3C(O)CH3
  499021.0444  0.0036 -3.5347 3  365.5351632  595161404391525 1    381424 1      C-13-H3C(O)CH3
  499025.4553  0.0037 -3.5347 3  365.5333632  595161404391425 2    381524 2      C-13-H3C(O)CH3
  499025.4555  0.0037 -3.5347 3  365.5333632  595161404391525 2    381424 2      C-13-H3C(O)CH3
  499035.9179  0.0455 -6.0727 3  800.6119420  595161404524112 3    514210 3      C-13-H3C(O)CH3
  499038.6813  0.0030 -3.5348 3  365.5617632  595161404391425 0    381524 0      C-13-H3C(O)CH3
  499038.6814  0.0030 -3.5348 3  365.5617632  595161404391525 0    381424 0      C-13-H3C(O)CH3
  499075.1067  0.1262 -6.0067 3  822.7565888  595161404553124 1    543421 1      C-13-H3C(O)CH3
  499086.7719  0.0457 -6.0721 3  800.6118420  595161404524112 4    514210 4      C-13-H3C(O)CH3
  499181.3636  0.0086 -3.7927 3  256.3770504  595161404311913 0    301812 0      C-13-H3C(O)CH3
  499185.6704  0.0151 -6.3754 3   81.1247140  5951614041716 2 3    1613 4 3      C-13-H3C(O)CH3
  499189.3213  0.0088 -3.7924 3  256.3552504  595161404311913 2    301812 2      C-13-H3C(O)CH3
  499196.2645  0.0890 -6.1268 3  894.3500920  595161404573523 2    573226 2      C-13-H3C(O)CH3
  499205.0597  0.1140 -6.1267 3  894.3497920  595161404573523 1    573226 1      C-13-H3C(O)CH3
  499211.3713  0.2097 -6.2393 3  998.1603968  595161404603823 0    603526 0      C-13-H3C(O)CH3
  499218.0047  0.0158 -6.3771 3   81.2017140  5951614041716 1 4    1613 3 4      C-13-H3C(O)CH3
  499239.5376  0.0050 -3.5575 3  212.2590456  595161404281910 2    2718 9 2      C-13-H3C(O)CH3
  499255.1922  0.0916 -5.6352 3 1209.9306C08  595161404751759 0    751660 0      C-13-H3C(O)CH3
  499255.1922  0.0916 -5.7029 3 1209.9306C08  595161404751659 0    751660 0      C-13-H3C(O)CH3
  499255.1922  0.0916 -5.6352 3 1209.9306C08  595161404751659 0    751560 0      C-13-H3C(O)CH3
  499255.1922  0.0916 -5.7029 3 1209.9306C08  595161404751759 0    751560 0      C-13-H3C(O)CH3
  499255.8980  0.0097 -6.3986 3  311.5852284  595161404351619 4    351322 4      C-13-H3C(O)CH3
  499256.0675  0.0094 -6.3986 3  311.5852284  595161404351619 3    351322 3      C-13-H3C(O)CH3
  499260.1675  0.0097 -6.3986 3  311.5852284  595161404351719 4    351422 4      C-13-H3C(O)CH3
  499260.3520  0.0094 -6.3986 3  311.5852284  595161404351719 3    351422 3      C-13-H3C(O)CH3
  499277.3211  0.0092 -6.0981 3  311.6086568  595161404351619 2    351322 2      C-13-H3C(O)CH3
  499281.5873  0.0092 -6.0980 3  311.6086568  595161404351719 2    351422 2      C-13-H3C(O)CH3
  499299.3570  0.0305 -5.4074 3  564.6388364  595161404453016 3    443114 3      C-13-H3C(O)CH3
  499318.6475  0.0092 -6.0969 3  311.6106568  595161404351619 1    351322 1      C-13-H3C(O)CH3
  499322.7389  0.0092 -6.0969 3  311.6106568  595161404351719 1    351422 1      C-13-H3C(O)CH3
  499335.2422  0.0238 -4.9289 3  564.6349728  595161404453016 0    443113 0      C-13-H3C(O)CH3
  499339.9459  0.0081 -6.0969 3  311.6339568  595161404351619 0    351322 0      C-13-H3C(O)CH3
  499344.0216  0.0081 -6.0969 3  311.6339568  595161404351719 0    351422 0      C-13-H3C(O)CH3
  499360.2981  0.1109 -5.9882 3 1209.9346C08  595161404751759 1    751560 1      C-13-H3C(O)CH3
  499360.2981  0.1109 -5.9882 3 1209.9346C08  595161404751659 1    751660 1      C-13-H3C(O)CH3
  499360.2981  0.1109 -5.4851 3 1209.9346C08  595161404751659 1    751560 1      C-13-H3C(O)CH3
  499360.2981  0.1109 -5.4851 3 1209.9346C08  595161404751759 1    751660 1      C-13-H3C(O)CH3
  499363.7439  0.1110 -5.5552 3 1209.9346C08  595161404751759 2    751560 2      C-13-H3C(O)CH3
  499363.7439  0.1110 -5.8195 3 1209.9346C08  595161404751759 2    751660 2      C-13-H3C(O)CH3
  499363.7439  0.1110 -5.8195 3 1209.9346C08  595161404751659 2    751560 2      C-13-H3C(O)CH3
  499363.7439  0.1110 -5.5552 3 1209.9346C08  595161404751659 2    751660 2      C-13-H3C(O)CH3
  499370.5732  0.0035 -3.5454 3  212.2724456  595161404281910 0    2718 9 0      C-13-H3C(O)CH3
  499384.0408  0.0288 -4.9706 3  564.6266728  595161404453016 2    443114 2      C-13-H3C(O)CH3
  499390.1194  0.0344 -5.2461 3  564.6098364  595161404453016 4    443114 4      C-13-H3C(O)CH3
  499402.3592  0.0650 -6.4280 3  894.3541460  595161404573523 4    573226 4      C-13-H3C(O)CH3
  499443.6376  0.0698 -6.4277 3  894.3541460  595161404573523 3    573226 3      C-13-H3C(O)CH3
  499468.9909  0.0736 -6.3313 3 1209.9385604  595161404751659 3    751660 3      C-13-H3C(O)CH3
  499468.9909  0.0736 -5.7734 3 1209.9385604  595161404751659 3    751560 3      C-13-H3C(O)CH3
  499468.9909  0.0736 -5.7734 3 1209.9385604  595161404751759 3    751660 3      C-13-H3C(O)CH3
  499468.9909  0.0736 -6.3313 3 1209.9385604  595161404751759 3    751560 3      C-13-H3C(O)CH3
  499469.2009  0.0737 -5.6910 3 1209.9385604  595161404751759 4    751660 4      C-13-H3C(O)CH3
  499469.2009  0.0737 -5.6910 3 1209.9385604  595161404751659 4    751560 4      C-13-H3C(O)CH3
  499483.7082  0.1393 -6.2606 3  939.6737936  595161404583821 1    583524 1      C-13-H3C(O)CH3
  499511.0651  0.1718 -6.2729 3  939.6738936  595161404583821 2    583524 2      C-13-H3C(O)CH3
  499578.8075  0.1722 -6.4456 3 1830.9020E16  595161404882960 2    882761 2      C-13-H3C(O)CH3
  499578.8075  0.1722 -6.4456 3 1830.9020E16  595161404882860 2    882861 2      C-13-H3C(O)CH3
  499593.1082  0.0243 -5.0038 3  564.6177728  595161404453016 1    443114 1      C-13-H3C(O)CH3
  499621.9433  0.1424 -6.0029 3  822.7441888  595161404553124 0    543421 0      C-13-H3C(O)CH3
  499632.3112  0.1925 -6.4320 3 1830.8862E16  595161404882860 0    882761 0      C-13-H3C(O)CH3
  499632.3112  0.1925 -6.4320 3 1830.8862E16  595161404882960 0    882861 0      C-13-H3C(O)CH3
  499670.7873  0.0028 -3.7661 3  419.7225388 -59516140448 444 4    47 543 4      C-13-H3C(O)CH3
  499670.7873  0.0027 -3.6968 3  419.7225388 -59516140448 544 3    47 443 3      C-13-H3C(O)CH3
  499670.7873  0.0028 -3.7661 3  419.7225388 -59516140448 544 4    47 443 4      C-13-H3C(O)CH3
  499670.7873  0.0027 -3.6968 3  419.7225388 -59516140448 444 3    47 543 3      C-13-H3C(O)CH3
  499670.8209  0.0028 -4.2932 3  419.7225388  59516140448 444 4    47 443 4      C-13-H3C(O)CH3
  499670.8209  0.0028 -4.2932 3  419.7225388  59516140448 544 4    47 543 4      C-13-H3C(O)CH3
  499670.8466  0.0027 -4.6718 3  419.7225388  59516140448 544 3    47 543 3      C-13-H3C(O)CH3
  499670.8466  0.0027 -4.6718 3  419.7225388  59516140448 444 3    47 443 3      C-13-H3C(O)CH3
  499704.9025  0.0035 -3.3549 3  419.7248776  59516140448 444 1    47 443 1      C-13-H3C(O)CH3
  499704.9025  0.0035 -3.3549 3  419.7248776  59516140448 544 1    47 543 1      C-13-H3C(O)CH3
  499705.0419  0.0035 -5.5281 3  419.7248776 -59516140448 444 1    47 543 1      C-13-H3C(O)CH3
  499705.0419  0.0035 -5.5281 3  419.7248776 -59516140448 544 1    47 443 1      C-13-H3C(O)CH3
  499705.0419  0.0035 -4.7605 3  419.7244776 -59516140448 544 2    47 443 2      C-13-H3C(O)CH3
  499705.0419  0.0035 -4.7605 3  419.7244776 -59516140448 444 2    47 543 2      C-13-H3C(O)CH3
  499705.1253  0.0035 -3.3693 3  419.7244776  59516140448 444 2    47 443 2      C-13-H3C(O)CH3
  499705.1253  0.0035 -3.3693 3  419.7244776  59516140448 544 2    47 543 2      C-13-H3C(O)CH3
  499736.7865  0.2002 -6.2420 3  998.1687968  595161404603823 2    603526 2      C-13-H3C(O)CH3
  499739.1192  0.0027 -3.3555 3  419.7267776  59516140448 444 0    47 443 0      C-13-H3C(O)CH3
  499739.1192  0.0027 -3.3555 3  419.7267776  59516140448 544 0    47 543 0      C-13-H3C(O)CH3
  499739.1192  0.0027 -5.4507 3  419.7267776  59516140448 444 0    47 543 0      C-13-H3C(O)CH3
  499739.1192  0.0027 -5.4507 3  419.7267776  59516140448 544 0    47 443 0      C-13-H3C(O)CH3
  499744.9273  0.0292 -4.4126 3  392.1602616  595161404382315 2    372414 2      C-13-H3C(O)CH3
  499764.4149  0.0137 -6.0696 3   81.0781280  5951614041716 2 1    1613 4 1      C-13-H3C(O)CH3
  499777.1211  0.1824 -6.2420 3  998.1676968  595161404603823 1    603526 1      C-13-H3C(O)CH3
  499783.3249  0.0331 -4.7123 3  392.1399308  595161404382315 3    372414 3      C-13-H3C(O)CH3
  499789.6558  0.0811 -6.5017 3 1164.9052B92  595161404741659 0    741460 0      C-13-H3C(O)CH3
  499789.6558  0.0811 -5.3265 3 1164.9052B92  595161404741559 0    741460 0      C-13-H3C(O)CH3
  499789.6558  0.0811 -5.3265 3 1164.9052B92  595161404741659 0    741560 0      C-13-H3C(O)CH3
  499789.6558  0.0811 -6.5017 3 1164.9052B92  595161404741559 0    741560 0      C-13-H3C(O)CH3
  499800.1918  0.0130 -6.0746 3   81.1549280  5951614041716 1 1    1613 3 1      C-13-H3C(O)CH3
  499809.1697  0.0131 -6.0713 3   81.0890280  5951614041716 2 2    1613 4 2      C-13-H3C(O)CH3
  499812.0726  0.0313 -4.7144 3  392.1388308  595161404382315 4    372414 4      C-13-H3C(O)CH3
  499828.8467  0.0055 -4.4466 3  132.0224188  595161404231311 4    221012 4      C-13-H3C(O)CH3
  499832.6533  0.0041 -4.4466 3  132.0223188  595161404231311 3    221012 3      C-13-H3C(O)CH3
  499845.2070  0.0035 -3.8116 3  375.0994324  595161404401427 4    391326 4      C-13-H3C(O)CH3
  499845.2070  0.0035 -3.8116 3  375.0994324  595161404401327 4    391426 4      C-13-H3C(O)CH3
  499845.2889  0.0035 -3.8116 3  375.0994324  595161404401427 3    391326 3      C-13-H3C(O)CH3
  499845.2889  0.0035 -3.8116 3  375.0994324  595161404401327 3    391426 3      C-13-H3C(O)CH3
  499859.4435  0.0037 -3.5106 3  375.1278648  595161404401427 1    391326 1      C-13-H3C(O)CH3
  499859.4435  0.0037 -3.5106 3  375.1278648  595161404401327 1    391426 1      C-13-H3C(O)CH3
  499862.6896  0.0038 -3.5106 3  375.1264648  595161404401427 2    391326 2      C-13-H3C(O)CH3
  499862.6896  0.0038 -3.5106 3  375.1264648  595161404401327 2    391426 2      C-13-H3C(O)CH3
  499876.8241  0.0031 -3.5107 3  375.1548648  595161404401327 0    391426 0      C-13-H3C(O)CH3
  499876.8241  0.0031 -3.5106 3  375.1548648  595161404401427 0    391326 0      C-13-H3C(O)CH3
  499908.6713  0.0979 -5.7336 3 1164.9039B92  595161404741559 1    741460 1      C-13-H3C(O)CH3
  499908.6713  0.0979 -5.4966 3 1164.9039B92  595161404741559 1    741560 1      C-13-H3C(O)CH3
  499908.6713  0.0979 -5.4966 3 1164.9039B92  595161404741659 1    741460 1      C-13-H3C(O)CH3
  499908.6713  0.0979 -5.7336 3 1164.9039B92  595161404741659 1    741560 1      C-13-H3C(O)CH3
  499911.0557  0.0981 -5.3011 3 1164.9038B92  595161404741559 2    741460 2      C-13-H3C(O)CH3
  499911.0557  0.0981 -5.3011 3 1164.9038B92  595161404741659 2    741560 2      C-13-H3C(O)CH3
  499954.5661  0.0652 -6.4122 3  877.6505460  595161404573126 3    563423 3      C-13-H3C(O)CH3
  499976.4163  0.0031 -4.0095 3  320.8795284  595161404351917 4    341816 4      C-13-H3C(O)CH3
  499977.3412  0.0034 -3.7085 3  320.9073568  595161404351917 1    341816 1      C-13-H3C(O)CH3
  499978.5822  0.0034 -4.0095 3  320.8794284  595161404351917 3    341816 3      C-13-H3C(O)CH3
  499981.2184  0.0591 -6.4122 3  877.6497460  595161404573126 4    563423 4      C-13-H3C(O)CH3
  499990.2391  0.0041 -4.1453 3  132.0115376  595161404231311 2    221012 2      C-13-H3C(O)CH3
  499999.5718  0.0229 -4.9697 3  564.6650728  595161404453015 2    443113 2      C-13-H3C(O)CH3
  500014.5759  0.0213 -5.2455 3  564.6773364  595161404453015 4    443113 4      C-13-H3C(O)CH3
  500015.4089  0.0642 -6.0881 3  709.0294808  595161404503516 0    503219 0      C-13-H3C(O)CH3
  500024.0932  0.0040 -4.1453 3  132.0146376  595161404231311 1    221012 1      C-13-H3C(O)CH3
  500029.8281  0.0029 -3.7087 3  320.9283568  595161404351917 0    341816 0      C-13-H3C(O)CH3
  500030.2193  0.0684 -5.6624 3 1164.9026596  595161404741559 3    741560 3      C-13-H3C(O)CH3
  500030.2193  0.0684 -6.4648 3 1164.9026596  595161404741659 3    741560 3      C-13-H3C(O)CH3
  500030.2193  0.0684 -6.4648 3 1164.9026596  595161404741559 3    741460 3      C-13-H3C(O)CH3
  500030.2193  0.0684 -5.6624 3 1164.9026596  595161404741659 3    741460 3      C-13-H3C(O)CH3
  500030.4398  0.0685 -5.6014 3 1164.9026596  595161404741659 4    741560 4      C-13-H3C(O)CH3
  500030.4398  0.0685 -5.6014 3 1164.9026596  595161404741559 4    741460 4      C-13-H3C(O)CH3
  500031.0062  0.0033 -3.7087 3  320.9004568  595161404351917 2    341816 2      C-13-H3C(O)CH3
  500039.9562  0.0637 -6.3132 3  709.0348808  595161404503516 1    503219 1      C-13-H3C(O)CH3
  500074.6308  0.0123 -6.0769 3   81.1579280  5951614041716 1 2    1613 3 2      C-13-H3C(O)CH3
  500078.3887  0.0063 -3.4390 3  199.1969204  5951614042525 0 4    2424 0 4      C-13-H3C(O)CH3
  500085.5869  0.0896 -6.1122 3  877.6430920  595161404573126 1    563423 1      C-13-H3C(O)CH3
  500096.0180  0.0266 -5.3175 3  596.5574760  595161404472721 0    462818 0      C-13-H3C(O)CH3
  500105.0419  0.0311 -5.4058 3  564.6482364  595161404453015 3    443113 3      C-13-H3C(O)CH3
  500105.5007  0.0797 -6.1116 3  877.6427920  595161404573126 2    563423 2      C-13-H3C(O)CH3
  500134.3489  0.0253 -5.0030 3  564.6468728  595161404453015 1    443113 1      C-13-H3C(O)CH3
  500183.0637  0.0042 -4.1449 3  132.0038376  595161404231311 0    221012 0      C-13-H3C(O)CH3
  500218.5264  0.0944 -6.1128 3  877.6357920  595161404573126 0    563423 0      C-13-H3C(O)CH3
  500223.2200  0.0198 -4.4091 3  392.1799616  595161404382315 0    372414 0      C-13-H3C(O)CH3
  500234.0130  0.1184 -6.5491 3  998.1760484  595161404603823 4    603526 4      C-13-H3C(O)CH3
  500260.8488  0.0724 -6.2959 3  709.0365808  595161404503516 2    503219 2      C-13-H3C(O)CH3
  500267.9820  0.0053 -3.1377 3  199.2570408 -5951614042525 0 2    2424 0 2      C-13-H3C(O)CH3
  500268.8327  0.0207 -4.4089 3  392.1593616  595161404382315 1    372414 1      C-13-H3C(O)CH3
  500292.0337  0.0056 -3.1376 3  199.2387408 -5951614042525 0 1    2424 0 1      C-13-H3C(O)CH3
  500310.6979  0.0698 -5.2577 3 1120.4587B76  595161404731459 0    731360 0      C-13-H3C(O)CH3
  500310.6979  0.0698 -6.4919 3 1120.4587B76  595161404731459 0    731460 0      C-13-H3C(O)CH3
  500310.6979  0.0698 -6.4919 3 1120.4587B76  595161404731559 0    731360 0      C-13-H3C(O)CH3
  500310.6979  0.0698 -5.2577 3 1120.4587B76  595161404731559 0    731460 0      C-13-H3C(O)CH3
  500322.5876  0.0061 -3.4385 3  199.1576204  5951614042525 1 3    2424 1 3      C-13-H3C(O)CH3
  500324.1678  0.0264 -5.3140 3  596.5369760  595161404472721 1    462818 1      C-13-H3C(O)CH3
  500341.8531  0.0106 -5.8368 3   88.9023156  5951614041912 7 3    18 910 3      C-13-H3C(O)CH3
  500343.5696  0.0049 -4.8086 3   95.0732172  59516140421 714 3    20 615 3      C-13-H3C(O)CH3
  500343.6684  0.0066 -4.8086 3   95.0732172  59516140421 714 4    20 615 4      C-13-H3C(O)CH3
  500343.6734  0.0049 -4.8086 3   95.0732172  59516140421 814 3    20 515 3      C-13-H3C(O)CH3
  500343.7712  0.0066 -4.8086 3   95.0732172  59516140421 814 4    20 515 4      C-13-H3C(O)CH3
  500373.1588  0.0244 -4.9267 3  564.6338728  595161404453015 0    443114 0      C-13-H3C(O)CH3
  500375.7162  0.1827 -6.5423 3  998.1761484  595161404603823 3    603526 3      C-13-H3C(O)CH3
  500375.9484  0.0091 -5.5288 3   88.8750312  5951614041912 7 2    18 910 2      C-13-H3C(O)CH3
  500376.0282  0.0060 -3.4384 3  199.1765204  5951614042525 0 3    2424 0 3      C-13-H3C(O)CH3
  500387.0261  0.0513 -5.7009 3  564.6388364  595161404453015 3    443114 3      C-13-H3C(O)CH3
  500388.8517  0.1505 -6.4211 3 1778.4090E00  595161404872760 2    872661 2      C-13-H3C(O)CH3
  500388.8517  0.1505 -6.4211 3 1778.4090E00  595161404872860 2    872761 2      C-13-H3C(O)CH3
  500399.0519  0.0118 -5.8387 3   88.9023156  5951614041912 7 4    18 910 4      C-13-H3C(O)CH3
  500415.6217  0.0848 -6.5490 3  709.0373404  595161404503516 4    503219 4      C-13-H3C(O)CH3
  500436.9613  0.1692 -6.5492 3 1778.3907E00  595161404872860 0    872761 0      C-13-H3C(O)CH3
  500436.9613  0.1692 -6.5492 3 1778.3907E00  595161404872760 0    872661 0      C-13-H3C(O)CH3
  500440.0637  0.0834 -5.2329 3 1120.4519B76  595161404731459 1    731460 1      C-13-H3C(O)CH3
  500440.0637  0.0834 -5.2329 3 1120.4519B76  595161404731559 1    731360 1      C-13-H3C(O)CH3
  500441.4905  0.0836 -5.4207 3 1120.4517B76  595161404731559 2    731460 2      C-13-H3C(O)CH3
  500441.4905  0.0836 -5.4207 3 1120.4517B76  595161404731459 2    731360 2      C-13-H3C(O)CH3
  500441.4905  0.0836 -5.6873 3 1120.4517B76  595161404731459 2    731460 2      C-13-H3C(O)CH3
  500441.4905  0.0836 -5.6873 3 1120.4517B76  595161404731559 2    731360 2      C-13-H3C(O)CH3
  500469.2005  0.2165 -6.5095 3  939.6831468  595161404583821 3    583524 3      C-13-H3C(O)CH3
  500475.3801  0.0464 -5.1989 3  507.2216348  595161404432717 4    422814 4      C-13-H3C(O)CH3
  500482.1561  0.0051 -3.1374 3  199.2988408 -5951614042525 0 0    2424 1 0      C-13-H3C(O)CH3
  500482.1561  0.0051 -3.1374 3  199.2988408 -5951614042525 1 0    2424 0 0      C-13-H3C(O)CH3
  500512.2765  0.0051 -3.1372 3  199.2175408 -5951614042525 1 2    2424 1 2      C-13-H3C(O)CH3
  500543.9324  0.0089 -5.5327 3   88.8773312  5951614041912 7 1    18 910 1      C-13-H3C(O)CH3
  500552.0691  0.0080 -5.5248 3   88.8501312  5951614041912 7 0    18 910 0      C-13-H3C(O)CH3
  500571.0071  0.0631 -5.9644 3 1120.4449588  595161404731559 3    731460 3      C-13-H3C(O)CH3
  500571.0071  0.0631 -5.7348 3 1120.4449588  595161404731559 3    731360 3      C-13-H3C(O)CH3
  500571.0071  0.0631 -5.7348 3 1120.4449588  595161404731459 3    731460 3      C-13-H3C(O)CH3
  500571.0071  0.0631 -5.9644 3 1120.4449588  595161404731459 3    731360 3      C-13-H3C(O)CH3
  500571.2267  0.0632 -5.5565 3 1120.4449588  595161404731559 4    731360 4      C-13-H3C(O)CH3
  500571.2267  0.0632 -5.5565 3 1120.4449588  595161404731459 4    731460 4      C-13-H3C(O)CH3
  500574.5902  0.0486 -5.3103 3  596.5250760  595161404472721 2    462818 2      C-13-H3C(O)CH3
  500589.8305  0.0054 -3.1371 3  199.2183408 -5951614042525 1 1    2424 1 1      C-13-H3C(O)CH3
  500619.6349  0.0064 -3.4379 3  199.1372204  5951614042525 1 4    2424 1 4      C-13-H3C(O)CH3
  500634.3074  0.0132 -6.0754 3   81.1118280  5951614041716 2 0    1613 3 0      C-13-H3C(O)CH3
  500673.3051  0.0132 -6.0753 3   81.1105280  5951614041716 1 0    1613 4 0      C-13-H3C(O)CH3
  500680.5414  0.0052 -4.5066 3   95.0408344  59516140421 714 2    20 615 2      C-13-H3C(O)CH3
  500680.6496  0.0052 -4.5066 3   95.0408344  59516140421 814 2    20 515 2      C-13-H3C(O)CH3
  500696.0488  0.0051 -4.5067 3   95.0417344  59516140421 714 1    20 615 1      C-13-H3C(O)CH3
  500696.1519  0.0051 -4.5067 3   95.0417344  59516140421 814 1    20 515 1      C-13-H3C(O)CH3
  500748.7254  0.0246 -6.4090 3  425.8750632  595161404392712 0    392217 0      C-13-H3C(O)CH3
  500769.0658  0.0035 -4.5594 3  384.1188332 -595161404411229 4    401228 4      C-13-H3C(O)CH3
  500769.0658  0.0035 -3.7954 3  384.1189332 -595161404411229 3    401328 3      C-13-H3C(O)CH3
  500769.0658  0.0035 -3.7954 3  384.1189332 -595161404411329 3    401228 3      C-13-H3C(O)CH3
  500769.0658  0.0035 -3.8714 3  384.1188332 -595161404411329 4    401228 4      C-13-H3C(O)CH3
  500769.0658  0.0035 -5.3256 3  384.1188332 -595161404411329 4    401328 4      C-13-H3C(O)CH3
  500769.0658  0.0035 -3.8032 3  384.1188332 -595161404411229 4    401328 4      C-13-H3C(O)CH3
  500769.1489  0.0035 -5.7288 3  384.1189332  595161404411329 3    401328 3      C-13-H3C(O)CH3
  500769.1489  0.0035 -5.7288 3  384.1189332  595161404411229 3    401228 3      C-13-H3C(O)CH3
  500784.5098  0.0490 -5.6081 3  596.5050380  595161404472721 4    462818 4      C-13-H3C(O)CH3
  500784.8516  0.0038 -3.5283 3  384.1471664 -595161404411229 1    401328 1      C-13-H3C(O)CH3
  500784.8516  0.0038 -3.5283 3  384.1471664 -595161404411329 1    401228 1      C-13-H3C(O)CH3
  500784.8516  0.0038 -4.5559 3  384.1471664 -595161404411229 1    401228 1      C-13-H3C(O)CH3
  500784.8516  0.0038 -4.5559 3  384.1471664 -595161404411329 1    401328 1      C-13-H3C(O)CH3
  500787.4684  0.0038 -3.5267 3  384.1459664 -595161404411329 2    401228 2      C-13-H3C(O)CH3
  500787.4684  0.0038 -4.5735 3  384.1459664 -595161404411229 2    401228 2      C-13-H3C(O)CH3
  500787.4684  0.0038 -4.9030 3  384.1459664 -595161404411329 2    401328 2      C-13-H3C(O)CH3
  500787.4684  0.0038 -3.5065 3  384.1459664 -595161404411229 2    401328 2      C-13-H3C(O)CH3
  500788.1657  0.0027 -4.4881 3  423.7795396  59516140449 446 4    48 345 4      C-13-H3C(O)CH3
  500788.1657  0.0027 -3.7037 3  423.7795396  59516140449 346 4    48 345 4      C-13-H3C(O)CH3
  500788.1728  0.0027 -3.6510 3  423.7795396  59516140449 446 3    48 345 3      C-13-H3C(O)CH3
  500788.1728  0.0027 -5.1578 3  423.7795396  59516140449 346 3    48 345 3      C-13-H3C(O)CH3
  500788.2608  0.0027 -4.4881 3  423.7795396 -59516140449 346 4    48 445 4      C-13-H3C(O)CH3
  500788.2608  0.0027 -3.7037 3  423.7795396 -59516140449 446 4    48 445 4      C-13-H3C(O)CH3
  500788.2608  0.0027 -3.6510 3  423.7795396 -59516140449 346 3    48 445 3      C-13-H3C(O)CH3
  500788.2608  0.0027 -5.1578 3  423.7795396 -59516140449 446 3    48 445 3      C-13-H3C(O)CH3
  500802.9717  0.0031 -4.3890 3  384.1741664 -595161404411229 0    401228 0      C-13-H3C(O)CH3
  500802.9717  0.0031 -3.5479 3  384.1741664 -595161404411229 0    401328 0      C-13-H3C(O)CH3
  500802.9717  0.0031 -4.3890 3  384.1741664 -595161404411329 0    401328 0      C-13-H3C(O)CH3
  500802.9717  0.0031 -3.5479 3  384.1741664 -595161404411329 0    401228 0      C-13-H3C(O)CH3
  500811.0792  0.0522 -5.6077 3  596.5042380  595161404472721 3    462818 3      C-13-H3C(O)CH3
  500811.1827  0.0205 -5.9281 3  596.5336760  595161404472721 0    472424 0      C-13-H3C(O)CH3
  500820.4718  0.0036 -3.5939 3  423.7713792  59516140449 446 1    48 345 1      C-13-H3C(O)CH3
  500820.4718  0.0036 -3.5939 3  423.7713792  59516140449 346 1    48 445 1      C-13-H3C(O)CH3
  500820.5748  0.0583 -5.3620 3 1076.5917B60  595161404721459 0    721260 0      C-13-H3C(O)CH3
  500820.5748  0.0583 -5.6205 3 1076.5917B60  595161404721459 0    721360 0      C-13-H3C(O)CH3
  500820.5748  0.0583 -5.6205 3 1076.5917B60  595161404721359 0    721260 0      C-13-H3C(O)CH3
  500820.5748  0.0583 -5.3620 3 1076.5917B60  595161404721359 0    721360 0      C-13-H3C(O)CH3
  500820.5830  0.0035 -4.6728 3  423.7709792  59516140449 446 2    48 445 2      C-13-H3C(O)CH3
  500820.5830  0.0035 -4.6728 3  423.7709792  59516140449 346 2    48 345 2      C-13-H3C(O)CH3
  500820.6969  0.0036 -3.6862 3  423.7713792 -59516140449 446 1    48 445 1      C-13-H3C(O)CH3
  500820.6969  0.0036 -3.6862 3  423.7713792 -59516140449 346 1    48 345 1      C-13-H3C(O)CH3
  500820.6969  0.0035 -3.3571 3  423.7709792 -59516140449 346 2    48 445 2      C-13-H3C(O)CH3
  500820.6969  0.0035 -3.3571 3  423.7709792 -59516140449 446 2    48 345 2      C-13-H3C(O)CH3
  500834.3890  0.0296 -5.9277 3  596.5163760  595161404472721 2    472424 2      C-13-H3C(O)CH3
  500852.7867  0.0027 -3.7282 3  423.7628792 -59516140449 346 0    48 345 0      C-13-H3C(O)CH3
  500852.7867  0.0027 -3.5626 3  423.7628792 -59516140449 346 0    48 445 0      C-13-H3C(O)CH3
  500852.7867  0.0027 -3.5626 3  423.7628792 -59516140449 446 0    48 345 0      C-13-H3C(O)CH3
  500852.7867  0.0027 -3.7282 3  423.7628792 -59516140449 446 0    48 445 0      C-13-H3C(O)CH3
  500867.8951  0.1322 -6.1867 3  823.2200872  595161404543717 0    543420 0      C-13-H3C(O)CH3
  500879.5271  0.0227 -5.9273 3  596.5184760  595161404472721 1    472424 1      C-13-H3C(O)CH3
  500885.1394  0.0354 -4.8334 3  507.2223696  595161404432717 2    422814 2      C-13-H3C(O)CH3
  500896.2726  0.0825 -6.4825 3  709.0348808  595161404503515 1    503219 1      C-13-H3C(O)CH3
  500902.4591  0.0315 -6.2279 3  596.5011380  595161404472721 4    472424 4      C-13-H3C(O)CH3
  500904.7489  0.0311 -6.2279 3  596.5011380  595161404472721 3    472424 3      C-13-H3C(O)CH3
  500931.7156  0.5292 -6.4581 3 1077.0941A00  595161404624121 0    623824 0      C-13-H3C(O)CH3
  500955.3911  0.0687 -5.2887 3 1076.5792B60  595161404721459 1    721260 1      C-13-H3C(O)CH3
  500955.3911  0.0687 -5.2887 3 1076.5792B60  595161404721359 1    721360 1      C-13-H3C(O)CH3
  500955.3911  0.0687 -5.7950 3 1076.5792B60  595161404721459 1    721360 1      C-13-H3C(O)CH3
  500955.3911  0.0687 -5.7950 3 1076.5792B60  595161404721359 1    721260 1      C-13-H3C(O)CH3
  500956.0247  0.0686 -5.6268 3 1076.5791B60  595161404721359 2    721360 2      C-13-H3C(O)CH3
  500956.0247  0.0686 -5.3581 3 1076.5791B60  595161404721459 2    721360 2      C-13-H3C(O)CH3
  500956.0247  0.0686 -5.3581 3 1076.5791B60  595161404721359 2    721260 2      C-13-H3C(O)CH3
  500956.0247  0.0686 -5.6268 3 1076.5791B60  595161404721459 2    721260 2      C-13-H3C(O)CH3
  501005.6050  0.0378 -5.7222 3  564.6177728  595161404453015 1    443114 1      C-13-H3C(O)CH3
  501032.2735  0.0050 -4.5057 3   95.0093344  59516140421 714 0    20 615 0      C-13-H3C(O)CH3
  501032.3814  0.0050 -4.5057 3   95.0093344  59516140421 814 0    20 515 0      C-13-H3C(O)CH3
  501069.7242  0.0285 -5.0695 3  507.2038348  595161404432717 3    422814 3      C-13-H3C(O)CH3
  501090.9890  0.0579 -5.4854 3 1076.5666580  595161404721359 3    721360 3      C-13-H3C(O)CH3
  501090.9890  0.0579 -5.4854 3 1076.5666580  595161404721459 3    721260 3      C-13-H3C(O)CH3
  501091.1922  0.0579 -5.4728 3 1076.5665580  595161404721459 4    721260 4      C-13-H3C(O)CH3
  501091.1922  0.0579 -5.4728 3 1076.5665580  595161404721359 4    721360 4      C-13-H3C(O)CH3
  501096.9710  0.1073 -6.1493 3  849.9411888  595161404553719 0    553422 0      C-13-H3C(O)CH3
  501151.9253  0.0506 -5.9548 3  564.6266728  595161404453015 2    443114 2      C-13-H3C(O)CH3
  501167.4980  0.1361 -6.5193 3 1726.4790D84  595161404862660 1    862661 1      C-13-H3C(O)CH3
  501167.4980  0.1361 -6.5193 3 1726.4790D84  595161404862760 1    862561 1      C-13-H3C(O)CH3
  501172.9964  0.1357 -6.3960 3 1726.4825D84  595161404862660 2    862661 2      C-13-H3C(O)CH3
  501172.9964  0.1357 -6.3960 3 1726.4825D84  595161404862760 2    862561 2      C-13-H3C(O)CH3
  501213.9160  0.1514 -6.2476 3 1726.4622D84  595161404862760 0    862561 0      C-13-H3C(O)CH3
  501213.9160  0.1514 -6.2476 3 1726.4622D84  595161404862660 0    862661 0      C-13-H3C(O)CH3
  501282.5999  0.0196 -4.7880 3  507.2101696  595161404432717 1    422814 1      C-13-H3C(O)CH3
  501298.5081  0.1087 -6.5127 3  709.0365808  595161404503515 2    503219 2      C-13-H3C(O)CH3
  501321.7610  0.0473 -5.1187 3 1033.3049B44  595161404711259 0    711260 0      C-13-H3C(O)CH3
  501321.7610  0.0473 -5.1187 3 1033.3049B44  595161404711359 0    711160 0      C-13-H3C(O)CH3
  501323.0252  0.0072 -3.7996 3  193.1589440  595161404271710 2    261611 2      C-13-H3C(O)CH3
  501377.5991  0.0058 -3.7991 3  193.1693440  595161404271710 0    261611 0      C-13-H3C(O)CH3
  501379.9666  0.0038 -5.4329 3  212.2462228  5951614042819 9 3    2718 9 3      C-13-H3C(O)CH3
  501439.2493  0.1053 -6.3515 3  849.9509888  595161404553719 1    553422 1      C-13-H3C(O)CH3
  501440.4825  0.0038 -4.5639 3  212.2501228  5951614042819 9 4    2718 9 4      C-13-H3C(O)CH3
  501455.6182  0.0552 -6.4088 3 1033.2868B44  595161404711359 1    711160 1      C-13-H3C(O)CH3
  501455.6182  0.0552 -5.1353 3 1033.2868B44  595161404711359 1    711260 1      C-13-H3C(O)CH3
  501455.6182  0.0552 -5.1353 3 1033.2868B44  595161404711259 1    711160 1      C-13-H3C(O)CH3
  501455.6182  0.0552 -6.4088 3 1033.2868B44  595161404711259 1    711260 1      C-13-H3C(O)CH3
  501455.6714  0.0549 -5.3637 3 1033.2866B44  595161404711259 2    711260 2      C-13-H3C(O)CH3
  501455.6714  0.0549 -5.4705 3 1033.2866B44  595161404711259 2    711160 2      C-13-H3C(O)CH3
  501455.6714  0.0549 -5.3637 3 1033.2866B44  595161404711359 2    711160 2      C-13-H3C(O)CH3
  501455.6714  0.0549 -5.4705 3 1033.2866B44  595161404711359 2    711260 2      C-13-H3C(O)CH3
  501462.9633  0.0136 -4.7505 3  507.2173696  595161404432717 0    422814 0      C-13-H3C(O)CH3
  501465.6665  0.0304 -5.5936 3  760.5390824  595161404513913 0    504010 0      C-13-H3C(O)CH3
  501465.6699  0.0304 -5.5936 3  760.5390824  595161404513912 0    504011 0      C-13-H3C(O)CH3
  501475.7736  0.0100 -4.1033 3  193.1526220  595161404271710 3    261611 3      C-13-H3C(O)CH3
  501486.3717  0.0096 -4.1041 3  193.1521220  595161404271710 4    261611 4      C-13-H3C(O)CH3
  501490.6984  0.0033 -4.5655 3  212.2616456  5951614042819 9 1    2718 9 1      C-13-H3C(O)CH3
  501491.9419  0.0591 -6.4362 3  964.1669904  5951614045648 9 1    5549 6 1      C-13-H3C(O)CH3
  501532.4468  0.0074 -3.8022 3  193.1628440  595161404271710 1    261611 1      C-13-H3C(O)CH3
  501540.6236  0.1263 -6.3644 3  849.9510888  595161404553719 2    553422 2      C-13-H3C(O)CH3
  501548.9826  0.0340 -5.5939 3  760.5662824  595161404513912 1    504010 1      C-13-H3C(O)CH3
  501552.4087  0.0032 -5.1170 3  212.2590456  5951614042819 9 2    2718 9 2      C-13-H3C(O)CH3
  501561.9984  0.0193 -6.2950 3  441.1530648  595161404402614 0    402119 0      C-13-H3C(O)CH3
  501589.6678  0.0528 -6.2555 3 1033.2686572  595161404711359 3    711260 3      C-13-H3C(O)CH3
  501589.6678  0.0528 -6.2555 3 1033.2686572  595161404711259 3    711160 3      C-13-H3C(O)CH3
  501589.6678  0.0528 -5.4809 3 1033.2686572  595161404711259 3    711260 3      C-13-H3C(O)CH3
  501589.6678  0.0528 -5.4809 3 1033.2686572  595161404711359 3    711160 3      C-13-H3C(O)CH3
  501589.8348  0.0528 -5.4150 3 1033.2685572  595161404711359 4    711160 4      C-13-H3C(O)CH3
  501589.8348  0.0528 -5.4150 3 1033.2685572  595161404711259 4    711260 4      C-13-H3C(O)CH3
  501593.7266  0.0676 -6.4369 3  964.1489904  5951614045648 9 2    5549 7 2      C-13-H3C(O)CH3
  501645.7406  0.0314 -5.5937 3  760.5475824  595161404513913 1    504011 1      C-13-H3C(O)CH3
  501677.6025  0.0321 -5.5933 3  760.5619824  595161404513913 2    504011 2      C-13-H3C(O)CH3
  501686.8341  0.0634 -6.4366 3  964.1627904  5951614045648 8 1    5549 7 1      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.4814 3  392.5749340 -595161404421231 3    411230 3      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.0961 3  392.5748340 -595161404421231 4    411130 4      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.0497 3  392.5748340 -595161404421231 4    411230 4      C-13-H3C(O)CH3
  501748.8781  0.0034 -3.8654 3  392.5749340 -595161404421231 3    411130 3      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.0497 3  392.5748340 -595161404421131 4    411130 4      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.0961 3  392.5748340 -595161404421131 4    411230 4      C-13-H3C(O)CH3
  501748.8781  0.0034 -4.4814 3  392.5749340 -595161404421131 3    411130 3      C-13-H3C(O)CH3
  501748.8781  0.0034 -3.8654 3  392.5749340 -595161404421131 3    411230 3      C-13-H3C(O)CH3
  501754.2417  0.0607 -6.4358 3  964.1357904  5951614045648 9 0    5549 6 0      C-13-H3C(O)CH3
  501754.2417  0.0607 -6.4358 3  964.1357904  5951614045648 8 0    5549 7 0      C-13-H3C(O)CH3
  501759.8796  0.0333 -5.5938 3  760.5666824  595161404513912 2    504010 2      C-13-H3C(O)CH3
  501760.6985  0.0405 -5.8946 3  760.5892412  595161404513912 3    504010 3      C-13-H3C(O)CH3
  501766.7763  0.0039 -3.4714 3  392.6027680 -595161404421131 1    411230 1      C-13-H3C(O)CH3
  501766.7763  0.0039 -3.4714 3  392.6027680 -595161404421231 1    411130 1      C-13-H3C(O)CH3
  501766.7763  0.0039 -6.0503 3  392.6027680 -595161404421131 1    411130 1      C-13-H3C(O)CH3
  501766.7763  0.0039 -6.0503 3  392.6027680 -595161404421231 1    411230 1      C-13-H3C(O)CH3
  501768.6604  0.0039 -3.4817 3  392.6017680 -595161404421131 2    411130 2      C-13-H3C(O)CH3
  501768.6604  0.0039 -5.0555 3  392.6017680 -595161404421131 2    411230 2      C-13-H3C(O)CH3
  501768.6604  0.0039 -5.0555 3  392.6017680 -595161404421231 2    411130 2      C-13-H3C(O)CH3
  501768.6604  0.0039 -3.4817 3  392.6017680 -595161404421231 2    411230 2      C-13-H3C(O)CH3
  501773.0803  0.0198 -6.2962 3  441.1301648  595161404402614 1    402119 1      C-13-H3C(O)CH3
  501786.4589  0.0031 -3.5500 3  392.6294680  595161404421131 0    411230 0      C-13-H3C(O)CH3
  501786.4589  0.0031 -4.2457 3  392.6294680  595161404421131 0    411130 0      C-13-H3C(O)CH3
  501786.4589  0.0031 -4.1324 3  392.6294680  595161404421231 0    411230 0      C-13-H3C(O)CH3
  501786.4589  0.0031 -3.5769 3  392.6294680  595161404421231 0    411130 0      C-13-H3C(O)CH3
  501797.0826  0.0042 -3.5237 3  201.6562212  5951614042623 3 4    2522 3 4      C-13-H3C(O)CH3
  501816.9549  0.0376 -5.6255 3  990.5985B28  595161404701259 0    701060 0      C-13-H3C(O)CH3
  501816.9549  0.0376 -5.1967 3  990.5985B28  595161404701159 0    701060 0      C-13-H3C(O)CH3
  501816.9549  0.0376 -5.1967 3  990.5985B28  595161404701259 0    701160 0      C-13-H3C(O)CH3
  501816.9549  0.0376 -5.6255 3  990.5985B28  595161404701159 0    701160 0      C-13-H3C(O)CH3
  501844.7759  0.0442 -5.8951 3  760.5937412  595161404513912 4    504010 4      C-13-H3C(O)CH3
  501857.1391  0.0377 -5.8944 3  760.5704412  595161404513913 4    504011 4      C-13-H3C(O)CH3
  501893.2025  0.1131 -6.4737 3 1675.1423684  595161404852560 4    852461 4      C-13-H3C(O)CH3
  501893.2025  0.1131 -6.4737 3 1675.1423684  595161404852660 4    852561 4      C-13-H3C(O)CH3
  501914.1926  0.0028 -5.4087 3  427.3003404  59516140450 248 3    49 247 3      C-13-H3C(O)CH3
  501914.1926  0.0028 -3.6293 3  427.3003404  59516140450 348 3    49 247 3      C-13-H3C(O)CH3
  501914.2022  0.0028 -4.2790 3  427.3003404  59516140450 248 4    49 247 4      C-13-H3C(O)CH3
  501914.2022  0.0028 -3.7302 3  427.3003404  59516140450 348 4    49 247 4      C-13-H3C(O)CH3
  501914.2447  0.0028 -3.6293 3  427.3003404 -59516140450 248 3    49 347 3      C-13-H3C(O)CH3
  501914.2447  0.0028 -5.4087 3  427.3003404 -59516140450 348 3    49 347 3      C-13-H3C(O)CH3
  501914.2447  0.0028 -3.7302 3  427.3003404 -59516140450 248 4    49 347 4      C-13-H3C(O)CH3
  501914.2447  0.0028 -4.2790 3  427.3003404 -59516140450 348 4    49 347 4      C-13-H3C(O)CH3
  501925.0995  0.1281 -6.1494 3 1675.1205D68  595161404852660 1    852561 1      C-13-H3C(O)CH3
  501925.0995  0.1281 -6.1494 3 1675.1205D68  595161404852560 1    852461 1      C-13-H3C(O)CH3
  501931.9442  0.1285 -6.2141 3 1675.1235D68  595161404852560 2    852461 2      C-13-H3C(O)CH3
  501931.9442  0.1285 -6.2141 3 1675.1235D68  595161404852660 2    852561 2      C-13-H3C(O)CH3
  501940.0917  0.0397 -5.8949 3  760.5750412  595161404513913 3    504011 3      C-13-H3C(O)CH3
  501941.4809  0.0446 -6.5234 3  990.5752B28  595161404701259 2    701160 2      C-13-H3C(O)CH3
  501941.4809  0.0446 -6.5234 3  990.5752B28  595161404701159 2    701060 2      C-13-H3C(O)CH3
  501941.4809  0.0446 -5.0740 3  990.5752B28  595161404701259 2    701060 2      C-13-H3C(O)CH3
  501941.4809  0.0446 -5.0740 3  990.5752B28  595161404701159 2    701160 2      C-13-H3C(O)CH3
  501941.7629  0.0453 -5.1123 3  990.5754B28  595161404701259 1    701160 1      C-13-H3C(O)CH3
  501941.7629  0.0453 -5.1123 3  990.5754B28  595161404701159 1    701060 1      C-13-H3C(O)CH3
  501941.7629  0.0453 -5.9944 3  990.5754B28  595161404701259 1    701060 1      C-13-H3C(O)CH3
  501941.7629  0.0453 -5.9944 3  990.5754B28  595161404701159 1    701160 1      C-13-H3C(O)CH3
  501941.8533  0.0036 -3.6554 3  427.2777808 -59516140450 248 2    49 247 2      C-13-H3C(O)CH3
  501941.8533  0.0036 -3.6554 3  427.2777808 -59516140450 348 2    49 347 2      C-13-H3C(O)CH3
  501941.8533  0.0036 -3.5910 3  427.2777808 -59516140450 248 2    49 347 2      C-13-H3C(O)CH3
  501941.8533  0.0037 -4.0642 3  427.2781808 -59516140450 248 1    49 347 1      C-13-H3C(O)CH3
  501941.8533  0.0037 -3.4075 3  427.2781808 -59516140450 348 1    49 347 1      C-13-H3C(O)CH3
  501941.8533  0.0037 -3.4075 3  427.2781808 -59516140450 248 1    49 247 1      C-13-H3C(O)CH3
  501941.8533  0.0036 -3.5910 3  427.2777808 -59516140450 348 2    49 247 2      C-13-H3C(O)CH3
  501941.8533  0.0037 -4.0642 3  427.2781808 -59516140450 348 1    49 247 1      C-13-H3C(O)CH3
  501959.5596  0.1520 -6.4227 3  823.2267872  595161404543717 1    543420 1      C-13-H3C(O)CH3
  501963.8357  0.1395 -6.1588 3 1675.1017D68  595161404852560 0    852561 0      C-13-H3C(O)CH3
  501963.8357  0.1395 -6.1588 3 1675.1017D68  595161404852660 0    852461 0      C-13-H3C(O)CH3
  501969.4158  0.0028 -3.3230 3  427.2555808 -59516140450 348 0    49 347 0      C-13-H3C(O)CH3
  501969.4158  0.0028 -5.6411 3  427.2555808 -59516140450 248 0    49 347 0      C-13-H3C(O)CH3
  501969.4158  0.0028 -3.3230 3  427.2555808 -59516140450 248 0    49 247 0      C-13-H3C(O)CH3
  501969.4158  0.0028 -5.6411 3  427.2555808 -59516140450 348 0    49 247 0      C-13-H3C(O)CH3
  501976.4411  0.0639 -6.4366 3  964.1503904  5951614045648 8 2    5549 6 2      C-13-H3C(O)CH3
  501976.5859  0.0038 -3.5234 3  201.6144212  5951614042623 4 3    2522 4 3      C-13-H3C(O)CH3
  501981.0660  0.0035 -3.2223 3  201.6746424 -5951614042623 3 1    2522 3 1      C-13-H3C(O)CH3
  502002.2448  0.0216 -6.3017 3  441.1250648  595161404402614 2    402119 2      C-13-H3C(O)CH3
  502006.8418  0.0036 -3.2222 3  201.6916424 -5951614042623 3 2    2522 3 2      C-13-H3C(O)CH3
  502041.0466  0.0039 -3.5231 3  201.6200212  5951614042623 3 3    2522 3 3      C-13-H3C(O)CH3
  502066.4125  0.0480 -5.4447 3  990.5521564  595161404701259 3    701060 3      C-13-H3C(O)CH3
  502066.4125  0.0480 -6.1089 3  990.5521564  595161404701159 3    701060 3      C-13-H3C(O)CH3
  502066.4125  0.0480 -6.1089 3  990.5521564  595161404701259 3    701160 3      C-13-H3C(O)CH3
  502066.4125  0.0480 -5.4447 3  990.5521564  595161404701159 3    701160 3      C-13-H3C(O)CH3
  502066.5192  0.0480 -5.9465 3  990.5520564  595161404701159 4    701160 4      C-13-H3C(O)CH3
  502066.5192  0.0480 -5.4896 3  990.5520564  595161404701159 4    701060 4      C-13-H3C(O)CH3
  502066.5192  0.0480 -5.9465 3  990.5520564  595161404701259 4    701060 4      C-13-H3C(O)CH3
  502066.5192  0.0480 -5.4896 3  990.5520564  595161404701259 4    701160 4      C-13-H3C(O)CH3
  502099.8935  0.0071 -5.2840 3   73.9634164  59516140420 416 3    19 317 3      C-13-H3C(O)CH3
  502099.8935  0.0071 -5.2840 3   73.9634164  59516140420 516 3    19 217 3      C-13-H3C(O)CH3
  502100.2040  0.0088 -5.2840 3   73.9634164  59516140420 416 4    19 317 4      C-13-H3C(O)CH3
  502100.2040  0.0088 -5.2840 3   73.9634164  59516140420 516 4    19 217 4      C-13-H3C(O)CH3
  502185.5811  0.0032 -3.2219 3  201.6498424 -5951614042623 4 2    2522 4 2      C-13-H3C(O)CH3
  502190.6566  0.0031 -3.2218 3  201.7100424 -5951614042623 4 0    2522 3 0      C-13-H3C(O)CH3
  502190.6566  0.0031 -3.2218 3  201.7100424 -5951614042623 3 0    2522 4 0      C-13-H3C(O)CH3
  502219.7464  0.0039 -3.5228 3  201.5782212  5951614042623 4 4    2522 4 4      C-13-H3C(O)CH3
  502224.1141  0.0032 -3.2217 3  201.6384424 -5951614042623 4 1    2522 4 1      C-13-H3C(O)CH3
  502305.2480  0.2175 -6.4209 3  823.2268872  595161404543717 2    543420 2      C-13-H3C(O)CH3
  502309.0823  0.0303 -5.1241 3  948.4731B12  595161404691059 0    691060 0      C-13-H3C(O)CH3
  502309.0823  0.0303 -5.6460 3  948.4731B12  595161404691059 0    69 960 0      C-13-H3C(O)CH3
  502309.0823  0.0303 -5.6460 3  948.4731B12  595161404691159 0    691060 0      C-13-H3C(O)CH3
  502309.0823  0.0303 -5.1241 3  948.4731B12  595161404691159 0    69 960 0      C-13-H3C(O)CH3
  502342.4045  0.8377 -6.5496 3 1077.0923A00  595161404624121 2    623824 2      C-13-H3C(O)CH3
  502414.5398  0.0401 -5.8275 3  948.4455B12  595161404691059 2    691060 2      C-13-H3C(O)CH3
  502414.5398  0.0401 -5.0813 3  948.4455B12  595161404691059 2    69 960 2      C-13-H3C(O)CH3
  502414.5398  0.0401 -5.8275 3  948.4455B12  595161404691159 2    69 960 2      C-13-H3C(O)CH3
  502414.5398  0.0401 -5.0813 3  948.4455B12  595161404691159 2    691060 2      C-13-H3C(O)CH3
  502414.9002  0.0409 -5.3099 3  948.4457B12  595161404691059 1    691060 1      C-13-H3C(O)CH3
  502414.9002  0.0409 -5.3113 3  948.4457B12  595161404691159 1    691060 1      C-13-H3C(O)CH3
  502414.9002  0.0409 -5.3113 3  948.4457B12  595161404691059 1    69 960 1      C-13-H3C(O)CH3
  502414.9002  0.0409 -5.3099 3  948.4457B12  595161404691159 1    69 960 1      C-13-H3C(O)CH3
  502427.1432  0.5531 -6.5397 3 1077.0895A00  595161404624121 1    623824 1      C-13-H3C(O)CH3
  502475.7745  0.0242 -6.4341 3  507.1569348  595161404432717 3    422815 3      C-13-H3C(O)CH3
  502520.4579  0.0434 -5.5952 3  948.4181556  595161404691059 3    691060 3      C-13-H3C(O)CH3
  502520.4579  0.0434 -5.6282 3  948.4181556  595161404691159 3    691060 3      C-13-H3C(O)CH3
  502520.4579  0.0434 -5.5952 3  948.4181556  595161404691159 3    69 960 3      C-13-H3C(O)CH3
  502520.4579  0.0434 -5.6282 3  948.4181556  595161404691059 3    69 960 3      C-13-H3C(O)CH3
  502520.4776  0.0434 -5.4249 3  948.4180556  595161404691159 4    69 960 4      C-13-H3C(O)CH3
  502520.4776  0.0434 -5.9451 3  948.4180556  595161404691159 4    691060 4      C-13-H3C(O)CH3
  502520.4776  0.0434 -5.4249 3  948.4180556  595161404691059 4    691060 4      C-13-H3C(O)CH3
  502520.4776  0.0434 -5.9451 3  948.4180556  595161404691059 4    69 960 4      C-13-H3C(O)CH3
  502526.5248  0.0670 -6.5250 3  919.3004444  595161404554610 4    5447 7 4      C-13-H3C(O)CH3
  502528.4359  0.0204 -4.1298 3  348.8808584  595161404362115 2    352214 2      C-13-H3C(O)CH3
  502540.9973  0.0479 -6.2229 3  919.2876888  5951614045546 9 1    5447 7 1      C-13-H3C(O)CH3
  502563.6415  0.0086 -4.9817 3   73.9099328  59516140420 416 2    19 317 2      C-13-H3C(O)CH3
  502563.6416  0.0086 -4.9817 3   73.9099328  59516140420 516 2    19 217 2      C-13-H3C(O)CH3
  502564.2990  0.1565 -6.5259 3  849.9619444  595161404553719 3    553422 3      C-13-H3C(O)CH3
  502569.5808  0.0086 -4.9819 3   73.9104328  59516140420 416 1    19 317 1      C-13-H3C(O)CH3
  502569.5808  0.0086 -4.9819 3   73.9104328  59516140420 516 1    19 217 1      C-13-H3C(O)CH3
  502590.8587  0.0093 -6.4575 3  290.5830276  595161404341519 4    341222 4      C-13-H3C(O)CH3
  502591.1175  0.0088 -6.4575 3  290.5830276  595161404341519 3    341222 3      C-13-H3C(O)CH3
  502592.2349  0.0093 -6.4575 3  290.5830276  595161404341619 4    341322 4      C-13-H3C(O)CH3
  502592.4994  0.0088 -6.4575 3  290.5830276  595161404341619 3    341322 3      C-13-H3C(O)CH3
  502605.6926  0.0239 -4.4298 3  348.8599292  595161404362115 3    352214 3      C-13-H3C(O)CH3
  502615.4431  0.0220 -4.4297 3  348.8598292  595161404362115 4    352214 4      C-13-H3C(O)CH3
  502637.5984  0.1086 -6.4625 3 1624.3534676  595161404842560 3    842461 3      C-13-H3C(O)CH3
  502637.5984  0.1086 -6.4625 3 1624.3534676  595161404842460 3    842361 3      C-13-H3C(O)CH3
  502637.6046  0.1086 -6.4268 3 1624.3535676  595161404842460 4    842461 4      C-13-H3C(O)CH3
  502637.6046  0.1086 -6.4268 3 1624.3535676  595161404842560 4    842361 4      C-13-H3C(O)CH3
  502651.0450  0.0087 -6.1569 3  290.6040552  595161404341519 2    341222 2      C-13-H3C(O)CH3
  502652.4238  0.0087 -6.1569 3  290.6040552  595161404341619 2    341322 2      C-13-H3C(O)CH3
  502658.6035  0.1277 -6.0597 3 1624.3306D52  595161404842460 1    842461 1      C-13-H3C(O)CH3
  502658.6035  0.1277 -6.0597 3 1624.3306D52  595161404842560 1    842361 1      C-13-H3C(O)CH3
  502666.3953  0.1282 -6.1388 3 1624.3332D52  595161404842460 2    842361 2      C-13-H3C(O)CH3
  502666.3953  0.1282 -6.1388 3 1624.3332D52  595161404842560 2    842461 2      C-13-H3C(O)CH3
  502687.4240  0.1329 -6.1244 3 1624.3103D52  595161404842460 0    842361 0      C-13-H3C(O)CH3
  502687.4240  0.1329 -6.1244 3 1624.3103D52  595161404842560 0    842461 0      C-13-H3C(O)CH3
  502688.9124  0.0087 -6.1556 3  290.6058552  595161404341519 1    341222 1      C-13-H3C(O)CH3
  502690.2296  0.0087 -6.1556 3  290.6058552  595161404341619 1    341322 1      C-13-H3C(O)CH3
  502715.1792  0.0208 -5.0915 3  502.9873348  595161404432618 4    422715 4      C-13-H3C(O)CH3
  502718.6014  0.0544 -6.2234 3  919.2708888  595161404554610 2    5447 8 2      C-13-H3C(O)CH3
  502722.9694  0.0112 -4.9357 3  524.5979712  595161404442619 1    432716 1      C-13-H3C(O)CH3
  502729.7242  0.0124 -5.2340 3  524.5769356  595161404442619 4    432716 4      C-13-H3C(O)CH3
  502733.6803  0.0452 -6.2224 3  919.2578888  5951614045546 9 0    5447 8 0      C-13-H3C(O)CH3
  502733.6803  0.0452 -6.2224 3  919.2578888  595161404554610 0    5447 7 0      C-13-H3C(O)CH3
  502740.3127  0.0098 -4.9367 3  524.6136712  595161404442619 0    432716 0      C-13-H3C(O)CH3
  502740.3576  0.0211 -5.5079 3  507.1604696  595161404432717 2    422815 2      C-13-H3C(O)CH3
  502748.7986  0.0078 -6.1555 3  290.6267552  595161404341519 0    341222 0      C-13-H3C(O)CH3
  502750.1137  0.0078 -6.1555 3  290.6267552  595161404341619 0    341322 0      C-13-H3C(O)CH3
  502754.4169  0.0670 -6.5251 3  919.2927444  595161404554610 3    5447 8 3      C-13-H3C(O)CH3
  502765.9325  0.0255 -4.2742 3  370.1976600  595161404372215 2    362314 2      C-13-H3C(O)CH3
  502766.5058  0.0034 -3.7586 3  400.4742348 -595161404431133 3    421032 3      C-13-H3C(O)CH3
  502766.5058  0.0034 -3.7586 3  400.4742348 -595161404431033 3    421132 3      C-13-H3C(O)CH3
  502766.5058  0.0034 -4.7677 3  400.4742348 -595161404431133 4    421032 4      C-13-H3C(O)CH3
  502766.5058  0.0034 -4.7677 3  400.4742348 -595161404431033 4    421132 4      C-13-H3C(O)CH3
  502766.6161  0.0034 -3.7978 3  400.4742348  595161404431133 4    421132 4      C-13-H3C(O)CH3
  502766.6161  0.0034 -3.7978 3  400.4742348  595161404431033 4    421032 4      C-13-H3C(O)CH3
  502766.6920  0.0034 -5.6916 3  400.4742348  595161404431033 3    421032 3      C-13-H3C(O)CH3
  502766.6920  0.0034 -5.6916 3  400.4742348  595161404431133 3    421132 3      C-13-H3C(O)CH3
  502767.9843  0.0513 -6.2231 3  919.2798888  595161404554610 1    5447 8 1      C-13-H3C(O)CH3
  502779.3154  0.0116 -4.9330 3  524.5916712  595161404442619 2    432716 2      C-13-H3C(O)CH3
  502787.0180  0.0039 -3.4611 3  400.5012696  595161404431033 1    421032 1      C-13-H3C(O)CH3
  502787.0180  0.0039 -5.1632 3  400.5012696  595161404431133 1    421032 1      C-13-H3C(O)CH3
  502787.0322  0.0039 -5.1632 3  400.5012696 -595161404431033 1    421132 1      C-13-H3C(O)CH3
  502787.0322  0.0039 -3.4611 3  400.5012696 -595161404431133 1    421132 1      C-13-H3C(O)CH3
  502788.4584  0.0039 -3.9441 3  400.5003696  595161404431133 2    421132 2      C-13-H3C(O)CH3
  502788.4584  0.0039 -3.4547 3  400.5003696  595161404431033 2    421032 2      C-13-H3C(O)CH3
  502788.5390  0.0039 -5.7825 3  400.5003696 -595161404431133 2    421032 2      C-13-H3C(O)CH3
  502788.5390  0.0039 -3.6217 3  400.5003696 -595161404431033 2    421132 2      C-13-H3C(O)CH3
  502791.1331  0.0131 -5.2321 3  524.5751356  595161404442619 3    432716 3      C-13-H3C(O)CH3
  502801.2948  0.0263 -5.0518 3  906.9288A96  595161404681059 0    68 860 0      C-13-H3C(O)CH3
  502801.2948  0.0263 -5.7134 3  906.9288A96  595161404681059 0    68 960 0      C-13-H3C(O)CH3
  502801.2948  0.0263 -5.0518 3  906.9288A96  59516140468 959 0    68 960 0      C-13-H3C(O)CH3
  502801.2948  0.0263 -5.7134 3  906.9288A96  59516140468 959 0    68 860 0      C-13-H3C(O)CH3
  502808.6808  0.0031 -4.2275 3  400.5273696 -595161404431033 0    421132 0      C-13-H3C(O)CH3
  502808.6808  0.0031 -3.5325 3  400.5273696 -595161404431133 0    421132 0      C-13-H3C(O)CH3
  502808.7599  0.0031 -4.2275 3  400.5273696  595161404431133 0    421032 0      C-13-H3C(O)CH3
  502808.7599  0.0031 -3.5325 3  400.5273696  595161404431033 0    421032 0      C-13-H3C(O)CH3
  502826.6573  0.0143 -5.8330 3  507.1586696  595161404432717 1    422815 1      C-13-H3C(O)CH3
  502837.1552  0.0286 -4.5744 3  370.1767300  595161404372215 3    362314 3      C-13-H3C(O)CH3
  502839.7609  0.0599 -6.5244 3  919.3045444  5951614045546 9 3    5447 7 3      C-13-H3C(O)CH3
  502847.8101  0.0277 -4.5745 3  370.1764300  595161404372215 4    362314 4      C-13-H3C(O)CH3
  502859.9706  0.0143 -5.0822 3  502.9830348  595161404432618 3    422715 3      C-13-H3C(O)CH3
  502871.1552  0.0155 -4.1279 3  348.9041584  595161404362115 0    352214 0      C-13-H3C(O)CH3
  502873.9347  0.0164 -4.7849 3  502.9985696  595161404432618 2    422715 2      C-13-H3C(O)CH3
  502875.9692  0.0414 -5.0222 3  906.8982A96  59516140468 959 2    68 860 2      C-13-H3C(O)CH3
  502875.9692  0.0414 -5.8811 3  906.8982A96  595161404681059 2    68 860 2      C-13-H3C(O)CH3
  502875.9692  0.0414 -4.9664 3  906.8982A96  595161404681059 2    68 960 2      C-13-H3C(O)CH3
  502876.1646  0.0421 -4.9682 3  906.8984A96  595161404681059 1    68 860 1      C-13-H3C(O)CH3
  502876.1646  0.0421 -4.9682 3  906.8984A96  59516140468 959 1    68 960 1      C-13-H3C(O)CH3
  502894.1967  0.3798 -6.3812 3 1010.3812968  595161404604020 0    603723 0      C-13-H3C(O)CH3
  502911.2741  0.1874 -6.2444 3  883.4418904  595161404563818 0    563521 0      C-13-H3C(O)CH3
  502946.0335  0.0175 -4.1269 3  348.8833584  595161404362115 1    352214 1      C-13-H3C(O)CH3
  502950.6298  0.0246 -5.5907 3  507.1391348  595161404432717 4    422815 4      C-13-H3C(O)CH3
  502950.8122  0.0389 -5.2806 3  906.8678548  595161404681059 4    68 960 4      C-13-H3C(O)CH3
  502950.8122  0.0389 -5.2806 3  906.8678548  59516140468 959 4    68 860 4      C-13-H3C(O)CH3
  502950.9068  0.0389 -5.2697 3  906.8678548  59516140468 959 3    68 860 3      C-13-H3C(O)CH3
  502950.9068  0.0389 -5.2697 3  906.8678548  595161404681059 3    68 960 3      C-13-H3C(O)CH3
  502980.2257  0.0264 -6.4028 3  428.6222616  5951614043831 8 1    382811 1      C-13-H3C(O)CH3
  503006.1706  0.0103 -4.7838 3  502.9980696  595161404432618 1    422715 1      C-13-H3C(O)CH3
  503008.9621  0.0274 -6.4019 3  428.6563616  5951614043831 7 2    382810 2      C-13-H3C(O)CH3
  503031.2860  0.0502 -6.2229 3  919.2748888  5951614045546 9 2    5447 7 2      C-13-H3C(O)CH3
  503032.2719  0.0083 -4.9805 3   73.8570328  59516140420 416 0    19 317 0      C-13-H3C(O)CH3
  503032.2720  0.0083 -4.9805 3   73.8570328  59516140420 516 0    19 217 0      C-13-H3C(O)CH3
  503049.3685  0.0035 -3.6303 3  430.2865412  59516140451 250 4    50 149 4      C-13-H3C(O)CH3
  503049.3685  0.0035 -4.8758 3  430.2865412  59516140451 150 4    50 149 4      C-13-H3C(O)CH3
  503049.4202  0.0035 -3.6111 3  430.2865412 -59516140451 150 4    50 249 4      C-13-H3C(O)CH3
  503049.4202  0.0035 -3.6066 3  430.2865412 -59516140451 150 3    50 249 3      C-13-H3C(O)CH3
  503049.4202  0.0035 -5.5657 3  430.2865412 -59516140451 250 4    50 249 4      C-13-H3C(O)CH3
  503049.4202  0.0035 -3.6066 3  430.2865412 -59516140451 250 3    50 149 3      C-13-H3C(O)CH3
  503067.0097  0.0654 -6.5246 3  919.2968444  5951614045546 9 4    5447 8 4      C-13-H3C(O)CH3
  503068.1855  0.0045 -3.5800 3  430.2456824  59516140451 250 1    50 249 1      C-13-H3C(O)CH3
  503068.1855  0.0045 -3.6341 3  430.2456824  59516140451 150 1    50 249 1      C-13-H3C(O)CH3
  503068.1931  0.0041 -3.3100 3  430.2452824 -59516140451 250 2    50 149 2      C-13-H3C(O)CH3
  503068.1931  0.0045 -3.5800 3  430.2456824 -59516140451 150 1    50 149 1      C-13-H3C(O)CH3
  503068.1931  0.0041 -5.2614 3  430.2452824 -59516140451 150 2    50 149 2      C-13-H3C(O)CH3
  503068.1931  0.0045 -3.6341 3  430.2456824 -59516140451 250 1    50 149 1      C-13-H3C(O)CH3
  503068.2148  0.0041 -5.2614 3  430.2452824  59516140451 250 2    50 249 2      C-13-H3C(O)CH3
  503068.2148  0.0041 -3.3100 3  430.2452824  59516140451 150 2    50 249 2      C-13-H3C(O)CH3
  503086.9143  0.0034 -3.5210 3  430.2044824 -59516140451 250 0    50 249 0      C-13-H3C(O)CH3
  503086.9143  0.0034 -3.7121 3  430.2044824 -59516140451 150 0    50 249 0      C-13-H3C(O)CH3
  503086.9929  0.0034 -3.7121 3  430.2044824  59516140451 250 0    50 149 0      C-13-H3C(O)CH3
  503086.9929  0.0034 -3.5210 3  430.2044824  59516140451 150 0    50 149 0      C-13-H3C(O)CH3
  503094.6210  0.0090 -4.7828 3  503.0112696  595161404432618 0    422715 0      C-13-H3C(O)CH3
  503104.9736  0.0038 -3.6393 3  205.8511220  5951614042721 6 4    2620 6 4      C-13-H3C(O)CH3
  503185.1310  0.0258 -6.4059 3  428.6342616  5951614043831 8 2    382811 2      C-13-H3C(O)CH3
  503195.9854  0.0183 -4.2719 3  370.2194600  595161404372215 0    362314 0      C-13-H3C(O)CH3
  503238.4144  0.0035 -3.6398 3  205.8173220  5951614042721 6 3    2620 6 3      C-13-H3C(O)CH3
  503257.0290  0.0031 -3.3380 3  205.8568440 -5951614042721 6 1    2620 6 1      C-13-H3C(O)CH3
  503264.8469  0.0197 -4.2712 3  370.1985600  595161404372215 1    362314 1      C-13-H3C(O)CH3
  503287.3665  0.0035 -3.6395 3  205.8091220  5951614042721 7 3    2620 7 3      C-13-H3C(O)CH3
  503296.9635  0.0252 -5.3494 3  865.9657A80  59516140467 959 0    67 760 0      C-13-H3C(O)CH3
  503296.9635  0.0252 -5.1364 3  865.9657A80  59516140467 959 0    67 860 0      C-13-H3C(O)CH3
  503296.9635  0.0252 -5.3494 3  865.9657A80  59516140467 859 0    67 860 0      C-13-H3C(O)CH3
  503296.9635  0.0252 -5.1364 3  865.9657A80  59516140467 859 0    67 760 0      C-13-H3C(O)CH3
  503307.1210  0.0262 -6.4043 3  428.6538616  5951614043831 7 0    382810 0      C-13-H3C(O)CH3
  503307.3340  0.1284 -6.0580 3  844.0105904  595161404563126 0    553223 0      C-13-H3C(O)CH3
  503311.7986  0.0262 -6.4043 3  428.6536616  5951614043831 8 0    382811 0      C-13-H3C(O)CH3
  503316.1816  0.0034 -3.3376 3  205.8645440 -5951614042721 6 2    2620 6 2      C-13-H3C(O)CH3
  503316.7646  0.0280 -6.4012 3  428.6377616  5951614043831 7 1    382810 1      C-13-H3C(O)CH3
  503326.7518  0.0458 -4.9413 3  865.9342A80  59516140467 959 1    67 760 1      C-13-H3C(O)CH3
  503326.7518  0.0458 -6.4778 3  865.9342A80  59516140467 859 1    67 760 1      C-13-H3C(O)CH3
  503326.7518  0.0458 -4.9891 3  865.9342A80  59516140467 959 1    67 860 1      C-13-H3C(O)CH3
  503326.7518  0.0458 -5.8162 3  865.9342A80  59516140467 859 1    67 860 1      C-13-H3C(O)CH3
  503326.9218  0.0454 -5.0161 3  865.9340A80  59516140467 959 2    67 860 2      C-13-H3C(O)CH3
  503326.9218  0.0454 -5.6683 3  865.9340A80  59516140467 859 2    67 860 2      C-13-H3C(O)CH3
  503326.9218  0.0454 -5.0161 3  865.9340A80  59516140467 859 2    67 760 2      C-13-H3C(O)CH3
  503326.9218  0.0454 -5.6683 3  865.9340A80  59516140467 959 2    67 760 2      C-13-H3C(O)CH3
  503356.5016  0.0347 -5.7215 3  865.9023540  59516140467 959 4    67 860 4      C-13-H3C(O)CH3
  503356.5016  0.0347 -5.7215 3  865.9023540  59516140467 859 4    67 760 4      C-13-H3C(O)CH3
  503356.5016  0.0347 -5.3986 3  865.9023540  59516140467 859 4    67 860 4      C-13-H3C(O)CH3
  503356.5016  0.0347 -5.3986 3  865.9023540  59516140467 959 4    67 760 4      C-13-H3C(O)CH3
  503356.7335  0.0347 -5.2321 3  865.9024540  59516140467 959 3    67 860 3      C-13-H3C(O)CH3
  503356.7335  0.0347 -5.2321 3  865.9024540  59516140467 859 3    67 760 3      C-13-H3C(O)CH3
  503360.3622  0.1053 -6.3158 3 1574.1336668  595161404832460 3    832361 3      C-13-H3C(O)CH3
  503360.3622  0.1053 -6.3158 3 1574.1336668  595161404832360 3    832261 3      C-13-H3C(O)CH3
  503360.3917  0.1053 -6.3763 3 1574.1337668  595161404832460 4    832361 4      C-13-H3C(O)CH3
  503360.3917  0.1053 -6.3763 3 1574.1337668  595161404832360 4    832261 4      C-13-H3C(O)CH3
  503368.7151  0.1320 -5.9703 3 1574.1104D36  595161404832460 1    832261 1      C-13-H3C(O)CH3
  503368.7151  0.1320 -5.9703 3 1574.1104D36  595161404832360 1    832361 1      C-13-H3C(O)CH3
  503377.0526  0.1321 -6.2294 3 1574.1126D36  595161404832360 2    832361 2      C-13-H3C(O)CH3
  503377.0526  0.1321 -6.3175 3 1574.1126D36  595161404832360 2    832261 2      C-13-H3C(O)CH3
  503377.0526  0.1321 -6.3175 3 1574.1126D36  595161404832460 2    832361 2      C-13-H3C(O)CH3
  503377.0526  0.1321 -6.2294 3 1574.1126D36  595161404832460 2    832261 2      C-13-H3C(O)CH3
  503385.4438  0.1300 -6.0121 3 1574.0894D36  595161404832460 0    832361 0      C-13-H3C(O)CH3
  503385.4438  0.1300 -6.0121 3 1574.0894D36  595161404832360 0    832261 0      C-13-H3C(O)CH3
  503421.0558  0.0031 -3.6390 3  205.7753220 -5951614042721 7 4    2620 7 4      C-13-H3C(O)CH3
  503438.1776  0.0028 -3.3376 3  205.8149440 -5951614042721 7 1    2620 7 1      C-13-H3C(O)CH3
  503448.8437  0.0030 -3.3377 3  205.8307440 -5951614042721 7 2    2620 7 2      C-13-H3C(O)CH3
  503459.7628  0.0028 -3.3373 3  205.8703440 -5951614042721 7 0    2620 6 0      C-13-H3C(O)CH3
  503474.4667  0.0028 -3.3372 3  205.8699440 -5951614042721 6 0    2620 7 0      C-13-H3C(O)CH3
  503583.8282  0.2677 -6.3096 3  945.8292936  595161404583919 0    583622 0      C-13-H3C(O)CH3
  503601.6081  0.0284 -5.2003 3  654.9917776  595161404483415 2    473513 2      C-13-H3C(O)CH3
  503633.4624  0.1004 -6.3313 3  849.9619452  595161404563125 3    553422 3      C-13-H3C(O)CH3
  503666.6236  0.0045 -4.5651 3  212.0847228  595161404281910 4    271810 4      C-13-H3C(O)CH3
  503667.3730  0.0307 -5.5013 3  654.9881388  595161404483415 4    473513 4      C-13-H3C(O)CH3
  503683.7961  0.0274 -5.2006 3  654.9794776  595161404483415 0    473512 0      C-13-H3C(O)CH3
  503693.8151  0.0275 -5.2006 3  654.9794776  595161404483414 0    473513 0      C-13-H3C(O)CH3
  503695.8276  0.0866 -6.3316 3  849.9599452  595161404563125 4    553422 4      C-13-H3C(O)CH3
  503722.4205  0.0033 -5.4292 3  212.0891228  595161404281910 3    271810 3      C-13-H3C(O)CH3
  503736.4105  0.0308 -5.9935 3  825.5229532  59516140466 759 4    66 760 4      C-13-H3C(O)CH3
  503736.4105  0.0308 -5.2770 3  825.5229532  59516140466 859 4    66 760 4      C-13-H3C(O)CH3
  503736.4105  0.0308 -5.2770 3  825.5229532  59516140466 759 4    66 660 4      C-13-H3C(O)CH3
  503736.4105  0.0308 -5.9935 3  825.5229532  59516140466 859 4    66 660 4      C-13-H3C(O)CH3
  503736.7910  0.0308 -5.7808 3  825.5230532  59516140466 859 3    66 760 3      C-13-H3C(O)CH3
  503736.7910  0.0308 -5.3332 3  825.5230532  59516140466 859 3    66 660 3      C-13-H3C(O)CH3
  503736.7910  0.0308 -5.3332 3  825.5230532  59516140466 759 3    66 760 3      C-13-H3C(O)CH3
  503736.7910  0.0308 -5.7808 3  825.5230532  59516140466 759 3    66 660 3      C-13-H3C(O)CH3
  503740.3883  0.0483 -6.1097 3  631.8493760  595161404473413 0    473116 0      C-13-H3C(O)CH3
  503747.5917  0.0289 -5.5017 3  655.0148388  595161404483415 3    473512 3      C-13-H3C(O)CH3
  503753.8237  0.0290 -5.2006 3  654.9760776  595161404483415 1    473513 1      C-13-H3C(O)CH3
  503767.9190  0.0486 -5.0083 3  825.5536A64  59516140466 859 1    66 660 1      C-13-H3C(O)CH3
  503767.9190  0.0486 -5.5547 3  825.5536A64  59516140466 859 1    66 760 1      C-13-H3C(O)CH3
  503767.9190  0.0486 -5.5547 3  825.5536A64  59516140466 759 1    66 660 1      C-13-H3C(O)CH3
  503767.9190  0.0486 -5.0083 3  825.5536A64  59516140466 759 1    66 760 1      C-13-H3C(O)CH3
  503768.5779  0.0485 -4.9056 3  825.5534A64  59516140466 859 2    66 660 2      C-13-H3C(O)CH3
  503768.5779  0.0485 -4.9056 3  825.5534A64  59516140466 759 2    66 760 2      C-13-H3C(O)CH3
  503772.1363  0.0034 -4.5654 3  212.1021456  595161404281910 1    271810 1      C-13-H3C(O)CH3
  503799.6672  0.0258 -5.0214 3  825.5841A64  59516140466 859 0    66 660 0      C-13-H3C(O)CH3
  503799.6672  0.0258 -5.0214 3  825.5841A64  59516140466 759 0    66 760 0      C-13-H3C(O)CH3
  503799.6672  0.0258 -5.5115 3  825.5841A64  59516140466 859 0    66 760 0      C-13-H3C(O)CH3
  503799.6672  0.0258 -5.5115 3  825.5841A64  59516140466 759 0    66 660 0      C-13-H3C(O)CH3
  503811.0617  0.0033 -3.7373 3  407.8217356 -595161404441035 4    43 934 4      C-13-H3C(O)CH3
  503811.0617  0.0033 -4.2294 3  407.8217356 -59516140444 935 4    43 934 4      C-13-H3C(O)CH3
  503811.0617  0.0033 -5.3740 3  407.8217356 -59516140444 935 3    431034 3      C-13-H3C(O)CH3
  503811.0617  0.0033 -3.7657 3  407.8217356 -595161404441035 3    431034 3      C-13-H3C(O)CH3
  503811.0619  0.0033 -3.9057 3  407.8217356  59516140444 935 4    431034 4      C-13-H3C(O)CH3
  503811.1357  0.0033 -3.7472 3  407.8217356  59516140444 935 3    43 934 3      C-13-H3C(O)CH3
  503811.1357  0.0033 -4.9322 3  407.8217356  595161404441035 3    43 934 3      C-13-H3C(O)CH3
  503834.2409  0.0039 -4.2091 3  407.8474712  59516140444 935 1    43 934 1      C-13-H3C(O)CH3
  503834.2409  0.0039 -4.2091 3  407.8474712  595161404441035 1    431034 1      C-13-H3C(O)CH3
  503834.3057  0.0039 -3.5163 3  407.8474712 -59516140444 935 1    431034 1      C-13-H3C(O)CH3
  503834.3057  0.0039 -3.5163 3  407.8474712 -595161404441035 1    43 934 1      C-13-H3C(O)CH3
  503835.3588  0.0038 -5.3674 3  407.8467712  595161404441035 2    431034 2      C-13-H3C(O)CH3
  503835.3588  0.0038 -5.3674 3  407.8467712  59516140444 935 2    43 934 2      C-13-H3C(O)CH3
  503835.4079  0.0038 -3.4412 3  407.8467712 -595161404441035 2    43 934 2      C-13-H3C(O)CH3
  503835.4079  0.0038 -3.4412 3  407.8467712 -59516140444 935 2    431034 2      C-13-H3C(O)CH3
  503836.1479  0.0280 -5.2007 3  655.0026776  595161404483414 1    473512 1      C-13-H3C(O)CH3
  503858.4232  0.0030 -5.2339 3  407.8724712 -59516140444 935 0    431034 0      C-13-H3C(O)CH3
  503858.4232  0.0030 -3.4405 3  407.8724712 -59516140444 935 0    43 934 0      C-13-H3C(O)CH3
  503858.4232  0.0030 -3.4431 3  407.8724712 -595161404441035 0    431034 0      C-13-H3C(O)CH3
  503858.4232  0.0030 -5.4317 3  407.8724712 -595161404441035 0    43 934 0      C-13-H3C(O)CH3
  503864.2166  0.0030 -5.1202 3  212.1048456  595161404281910 2    271810 2      C-13-H3C(O)CH3
  503886.6862  0.1169 -6.0541 3  843.9941904  595161404563126 1    553223 1      C-13-H3C(O)CH3
  503911.9592  0.0265 -5.2004 3  655.0164776  595161404483414 2    473512 2      C-13-H3C(O)CH3
  503972.2934  0.1907 -6.0532 3  843.9912904  595161404563126 2    553223 2      C-13-H3C(O)CH3
  503976.1306  0.0258 -5.5017 3  655.0129388  595161404483414 3    473513 3      C-13-H3C(O)CH3
  503985.9497  0.1176 -6.0293 3  849.9510904  595161404563125 2    553422 2      C-13-H3C(O)CH3
  503993.7354  0.1049 -6.0299 3  849.9509904  595161404563125 1    553422 1      C-13-H3C(O)CH3
  503994.7038  0.1006 -6.3282 3  968.7425968  595161404603228 0    593525 0      C-13-H3C(O)CH3
  504017.3797  0.0997 -6.3266 3  968.7500968  595161404603228 1    593525 1      C-13-H3C(O)CH3
  504044.3970  0.0822 -6.3262 3  968.7505968  595161404603228 2    593525 2      C-13-H3C(O)CH3
  504056.1324  0.1380 -5.8934 3 1524.4611D20  595161404822260 1    822161 1      C-13-H3C(O)CH3
  504056.1324  0.1380 -5.8934 3 1524.4611D20  595161404822360 1    822261 1      C-13-H3C(O)CH3
  504057.9788  0.0428 -6.0236 3  875.7190872  595161404544410 1    5345 8 1      C-13-H3C(O)CH3
  504058.7064  0.0300 -5.5015 3  655.0395388  595161404483414 4    473512 4      C-13-H3C(O)CH3
  504058.7333  0.1291 -5.8861 3 1524.4399D20  595161404822360 0    822161 0      C-13-H3C(O)CH3
  504058.7333  0.1291 -5.8861 3 1524.4399D20  595161404822260 0    822261 0      C-13-H3C(O)CH3
  504062.0796  0.1025 -6.1850 3 1524.4839660  595161404822260 3    822161 3      C-13-H3C(O)CH3
  504062.0796  0.1025 -6.1850 3 1524.4839660  595161404822360 3    822261 3      C-13-H3C(O)CH3
  504062.1344  0.1025 -6.3375 3 1524.4840660  595161404822260 4    822161 4      C-13-H3C(O)CH3
  504062.1344  0.1025 -6.3375 3 1524.4840660  595161404822360 4    822261 4      C-13-H3C(O)CH3
  504064.6271  0.1377 -5.9306 3 1524.4628D20  595161404822360 2    822161 2      C-13-H3C(O)CH3
  504064.6271  0.1377 -5.9306 3 1524.4628D20  595161404822260 2    822261 2      C-13-H3C(O)CH3
  504089.3034  0.0278 -5.5566 3  785.7308524  59516140465 659 4    65 560 4      C-13-H3C(O)CH3
  504089.3034  0.0278 -5.4198 3  785.7308524  59516140465 759 4    65 560 4      C-13-H3C(O)CH3
  504089.3034  0.0278 -5.5566 3  785.7308524  59516140465 759 4    65 660 4      C-13-H3C(O)CH3
  504089.3034  0.0278 -5.4198 3  785.7308524  59516140465 659 4    65 660 4      C-13-H3C(O)CH3
  504089.8205  0.0277 -5.2477 3  785.7308524  59516140465 659 3    65 660 3      C-13-H3C(O)CH3
  504089.8205  0.0277 -6.0337 3  785.7308524  59516140465 759 3    65 660 3      C-13-H3C(O)CH3
  504089.8205  0.0277 -5.2477 3  785.7308524  59516140465 759 3    65 560 3      C-13-H3C(O)CH3
  504089.8205  0.0277 -6.0337 3  785.7308524  59516140465 659 3    65 560 3      C-13-H3C(O)CH3
  504117.9773  0.2112 -6.4689 3  883.4471904  595161404563818 1    563521 1      C-13-H3C(O)CH3
  504162.8131  0.0374 -6.0231 3  875.6905872  595161404544411 0    5345 9 0      C-13-H3C(O)CH3
  504162.8131  0.0374 -6.0231 3  875.6905872  595161404544410 0    5345 8 0      C-13-H3C(O)CH3
  504175.2528  0.0565 -6.3254 3  875.7343436  595161404544411 4    5345 8 4      C-13-H3C(O)CH3
  504194.5689  0.0053 -3.5903 3  432.7398420 -59516140452 052 3    51 151 3      C-13-H3C(O)CH3
  504194.5689  0.0053 -3.5910 3  432.7398420 -59516140452 152 3    51 051 3      C-13-H3C(O)CH3
  504194.5742  0.0053 -3.5903 3  432.7398420  59516140452 052 4    51 151 4      C-13-H3C(O)CH3
  504194.5742  0.0053 -3.5903 3  432.7398420  59516140452 152 4    51 051 4      C-13-H3C(O)CH3
  504194.5856  0.0053 -6.2641 3  432.7398420  59516140452 152 3    51 151 3      C-13-H3C(O)CH3
  504194.5856  0.0053 -5.5714 3  432.7398420  59516140452 052 3    51 051 3      C-13-H3C(O)CH3
  504195.5487  0.0506 -6.2116 3  631.8582760  595161404473413 1    473116 1      C-13-H3C(O)CH3
  504198.7368  0.0072 -3.2892 3  432.6738840 -59516140452 152 2    51 051 2      C-13-H3C(O)CH3
  504198.7368  0.0072 -3.2892 3  432.6738840 -59516140452 052 2    51 151 2      C-13-H3C(O)CH3
  504198.7368  0.0078 -3.2891 3  432.6741840 -59516140452 152 1    51 051 1      C-13-H3C(O)CH3
  504198.7368  0.0078 -3.2891 3  432.6741840 -59516140452 052 1    51 151 1      C-13-H3C(O)CH3
  504200.9831  0.0484 -4.8818 3  785.7574A48  59516140465 759 1    65 660 1      C-13-H3C(O)CH3
  504200.9831  0.0484 -4.8818 3  785.7574A48  59516140465 659 1    65 560 1      C-13-H3C(O)CH3
  504202.1403  0.0482 -5.2181 3  785.7572A48  59516140465 759 2    65 560 2      C-13-H3C(O)CH3
  504202.1403  0.0482 -5.1480 3  785.7572A48  59516140465 759 2    65 660 2      C-13-H3C(O)CH3
  504202.1403  0.0482 -5.1480 3  785.7572A48  59516140465 659 2    65 560 2      C-13-H3C(O)CH3
  504202.1403  0.0482 -5.2181 3  785.7572A48  59516140465 659 2    65 660 2      C-13-H3C(O)CH3
  504202.8489  0.0058 -4.1450 3  432.6083840  59516140452 152 0    51 151 0      C-13-H3C(O)CH3
  504202.8489  0.0058 -3.3541 3  432.6083840  59516140452 052 0    51 151 0      C-13-H3C(O)CH3
  504202.9049  0.0058 -4.1450 3  432.6083840 -59516140452 052 0    51 051 0      C-13-H3C(O)CH3
  504202.9049  0.0058 -3.3541 3  432.6083840 -59516140452 152 0    51 051 0      C-13-H3C(O)CH3
  504278.5983  0.0452 -6.0236 3  875.7086872  595161404544411 1    5345 9 1      C-13-H3C(O)CH3
  504278.6554  0.0449 -6.0239 3  875.7059872  595161404544411 2    5345 9 2      C-13-H3C(O)CH3
  504279.7050  0.0111 -4.0298 3  240.9681244  595161404301912 3    291811 3      C-13-H3C(O)CH3
  504289.1262  0.0101 -4.0298 3  240.9676244  595161404301912 4    291811 4      C-13-H3C(O)CH3
  504304.5270  0.4089 -6.5253 3 1010.3806968  595161404604020 1    603723 1      C-13-H3C(O)CH3
  504309.3416  0.1153 -6.0289 3  849.9411904  595161404563125 0    553422 0      C-13-H3C(O)CH3
  504313.1737  0.0262 -4.8973 3  785.7837A48  59516140465 759 0    65 560 0      C-13-H3C(O)CH3
  504313.1737  0.0262 -6.3005 3  785.7837A48  59516140465 759 0    65 660 0      C-13-H3C(O)CH3
  504313.1737  0.0262 -5.2367 3  785.7837A48  59516140465 659 0    65 560 0      C-13-H3C(O)CH3
  504313.1737  0.0262 -5.1325 3  785.7837A48  59516140465 659 0    65 660 0      C-13-H3C(O)CH3
  504330.8835  0.0085 -3.7289 3  240.9859488  595161404301912 1    291811 1      C-13-H3C(O)CH3
  504339.4199  0.0455 -6.1777 3  631.8694760  595161404473413 2    473116 2      C-13-H3C(O)CH3
  504379.0907  0.6273 -6.5423 3 1010.3814968  595161404604020 2    603723 2      C-13-H3C(O)CH3
  504383.2006  0.0533 -6.3248 3  875.7394436  595161404544410 3    5345 8 3      C-13-H3C(O)CH3
  504392.4169  0.0116 -5.9477 3  443.7580664  595161404412120 0    411823 0      C-13-H3C(O)CH3
  504396.0627  0.0573 -6.3254 3  875.7240436  595161404544411 3    5345 9 3      C-13-H3C(O)CH3
  504408.3572  0.3162 -6.4747 3  883.4467904  595161404563818 2    563521 2      C-13-H3C(O)CH3
  504413.8628  0.0270 -5.3384 3  746.5272516  59516140464 659 4    64 560 4      C-13-H3C(O)CH3
  504413.8628  0.0270 -5.6832 3  746.5272516  59516140464 659 4    64 460 4      C-13-H3C(O)CH3
  504413.8628  0.0270 -5.3384 3  746.5272516  59516140464 559 4    64 460 4      C-13-H3C(O)CH3
  504413.8628  0.0270 -5.6832 3  746.5272516  59516140464 559 4    64 560 4      C-13-H3C(O)CH3
  504414.4648  0.0267 -5.2730 3  746.5272516  59516140464 659 3    64 460 3      C-13-H3C(O)CH3
  504414.4648  0.0267 -5.8766 3  746.5272516  59516140464 659 3    64 560 3      C-13-H3C(O)CH3
  504414.4648  0.0267 -5.8766 3  746.5272516  59516140464 559 3    64 460 3      C-13-H3C(O)CH3
  504414.4648  0.0267 -5.2730 3  746.5272516  59516140464 559 3    64 560 3      C-13-H3C(O)CH3
  504422.2604  0.0146 -5.9479 3  443.7302664  595161404412120 2    411823 2      C-13-H3C(O)CH3
  504434.9260  0.0179 -6.3680 3  417.4785632  595161404392514 0    392019 0      C-13-H3C(O)CH3
  504477.1241  0.0126 -5.9471 3  443.7326664  595161404412120 1    411823 1      C-13-H3C(O)CH3
  504486.8130  0.0438 -6.0232 3  875.7109872  595161404544410 2    5345 8 2      C-13-H3C(O)CH3
  504507.1753  0.0153 -6.2481 3  443.7047332  595161404412120 3    411823 3      C-13-H3C(O)CH3
  504507.5764  0.0153 -6.2481 3  443.7046332  595161404412120 4    411823 4      C-13-H3C(O)CH3
  504517.1877  0.0536 -6.3021 3  591.9845744  595161404463116 1    453213 1      C-13-H3C(O)CH3
  504527.9374  0.0439 -6.4393 3  631.8872380  595161404473413 4    473116 4      C-13-H3C(O)CH3
  504551.3728  0.0072 -4.1007 3  324.6841284  595161404351916 3    342015 3      C-13-H3C(O)CH3
  504551.3870  0.1803 -6.3503 3  843.9748452  595161404563126 4    553223 4      C-13-H3C(O)CH3
  504555.9075  0.0060 -4.1007 3  324.6840284  595161404351916 4    342015 4      C-13-H3C(O)CH3
  504556.5434  0.0116 -5.9474 3  443.7580664  595161404412220 0    411923 0      C-13-H3C(O)CH3
  504559.5594  0.1808 -6.3502 3  843.9746452  595161404563126 3    553223 3      C-13-H3C(O)CH3
  504575.6754  0.0062 -3.8001 3  324.7044568  595161404351916 2    342015 2      C-13-H3C(O)CH3
  504593.9023  0.0143 -5.9476 3  443.7302664  595161404412220 2    411923 2      C-13-H3C(O)CH3
  504603.4675  0.0581 -6.3248 3  875.7290436  595161404544410 4    5345 9 4      C-13-H3C(O)CH3
  504613.0680  0.0183 -6.3682 3  417.4548632  595161404392514 1    392019 1      C-13-H3C(O)CH3
  504624.4558  0.0219 -6.2699 3  465.3614664  595161404412714 0    412219 0      C-13-H3C(O)CH3
  504627.3181  0.0447 -4.8774 3  746.5461A32  59516140464 659 1    64 460 1      C-13-H3C(O)CH3
  504627.3181  0.0447 -4.8774 3  746.5461A32  59516140464 559 1    64 560 1      C-13-H3C(O)CH3
  504628.8276  0.0439 -4.8766 3  746.5457A32  59516140464 559 2    64 560 2      C-13-H3C(O)CH3
  504628.8276  0.0439 -4.8766 3  746.5457A32  59516140464 659 2    64 460 2      C-13-H3C(O)CH3
  504644.2295  0.0126 -5.9468 3  443.7326664  595161404412220 1    411923 1      C-13-H3C(O)CH3
  504649.4985  0.0057 -3.7992 3  324.7103568  595161404351916 1    342015 1      C-13-H3C(O)CH3
  504654.0580  0.0082 -3.7269 3  240.9727488  595161404301912 2    291811 2      C-13-H3C(O)CH3
  504673.5249  0.0052 -3.7996 3  324.7307568  595161404351916 0    342015 0      C-13-H3C(O)CH3
  504679.5114  0.0183 -6.3697 3  417.4501632  595161404392514 2    392019 2      C-13-H3C(O)CH3
  504681.9826  0.0150 -6.2479 3  443.7047332  595161404412220 3    411923 3      C-13-H3C(O)CH3
  504682.0141  0.0150 -6.2479 3  443.7046332  595161404412220 4    411923 4      C-13-H3C(O)CH3
  504694.7439  0.0073 -3.7271 3  240.9909488 -595161404301912 0    291811 0      C-13-H3C(O)CH3
  504708.2231  0.1285 -5.8449 3 1475.3630D04  595161404812260 0    812161 0      C-13-H3C(O)CH3
  504708.2231  0.1285 -5.8449 3 1475.3630D04  595161404812160 0    812061 0      C-13-H3C(O)CH3
  504708.7128  0.0302 -5.6404 3  707.9133508  59516140463 459 4    63 460 4      C-13-H3C(O)CH3
  504708.7128  0.0302 -5.3799 3  707.9133508  59516140463 459 4    63 360 4      C-13-H3C(O)CH3
  504708.7128  0.0302 -5.6404 3  707.9133508  59516140463 559 4    63 360 4      C-13-H3C(O)CH3
  504708.7128  0.0302 -5.3799 3  707.9133508  59516140463 559 4    63 460 4      C-13-H3C(O)CH3
  504709.2850  0.0297 -5.2713 3  707.9133508  59516140463 459 3    63 460 3      C-13-H3C(O)CH3
  504709.2850  0.0297 -5.2713 3  707.9133508  59516140463 559 3    63 360 3      C-13-H3C(O)CH3
  504709.2850  0.0297 -5.9569 3  707.9133508  59516140463 559 3    63 460 3      C-13-H3C(O)CH3
  504709.2850  0.0297 -5.9569 3  707.9133508  59516140463 459 3    63 360 3      C-13-H3C(O)CH3
  504721.5513  0.1431 -5.8017 3 1475.3835D04  595161404812260 1    812061 1      C-13-H3C(O)CH3
  504721.5513  0.1431 -5.8017 3 1475.3835D04  595161404812160 1    812161 1      C-13-H3C(O)CH3
  504729.8429  0.1426 -5.8078 3 1475.3848D04  595161404812260 2    812061 2      C-13-H3C(O)CH3
  504729.8429  0.1426 -5.8078 3 1475.3848D04  595161404812160 2    812161 2      C-13-H3C(O)CH3
  504743.2402  0.0998 -6.1375 3 1475.4053652  595161404812260 3    812061 3      C-13-H3C(O)CH3
  504743.2402  0.0998 -6.1375 3 1475.4053652  595161404812160 3    812161 3      C-13-H3C(O)CH3
  504743.3216  0.0999 -6.2399 3 1475.4053652  595161404812260 4    812061 4      C-13-H3C(O)CH3
  504743.3216  0.0999 -6.2399 3 1475.4053652  595161404812160 4    812161 4      C-13-H3C(O)CH3
  504750.5124  0.0972 -6.1048 3  860.7990904  595161404563423 0    563126 0      C-13-H3C(O)CH3
  504813.4253  0.2437 -6.4072 3  855.1695452  595161404563224 3    553521 3      C-13-H3C(O)CH3
  504820.8119  0.0082 -3.9400 3  226.2340236  595161404291911 4    281810 4      C-13-H3C(O)CH3
  504841.4146  0.0258 -4.8881 3  746.5646A32  59516140464 659 0    64 560 0      C-13-H3C(O)CH3
  504841.4146  0.0258 -6.3880 3  746.5646A32  59516140464 559 0    64 560 0      C-13-H3C(O)CH3
  504841.4146  0.0258 -6.3880 3  746.5646A32  59516140464 659 0    64 460 0      C-13-H3C(O)CH3
  504841.4146  0.0258 -4.8881 3  746.5646A32  59516140464 559 0    64 460 0      C-13-H3C(O)CH3
  504859.6697  0.0085 -3.9353 3  226.2339236  595161404291911 3    281810 3      C-13-H3C(O)CH3
  504872.8435  0.0768 -6.1046 3  860.8020904  595161404563423 2    563126 2      C-13-H3C(O)CH3
  504875.0994  0.0032 -3.7695 3  414.6212364 -59516140445 937 4    44 936 4      C-13-H3C(O)CH3
  504875.0994  0.0032 -3.7265 3  414.6212364 -59516140445 937 3    44 836 3      C-13-H3C(O)CH3
  504875.0994  0.0032 -3.7695 3  414.6212364 -59516140445 837 4    44 836 4      C-13-H3C(O)CH3
  504875.0994  0.0032 -3.7265 3  414.6212364 -59516140445 837 3    44 936 3      C-13-H3C(O)CH3
  504875.1387  0.0032 -4.7001 3  414.6212364  59516140445 937 4    44 836 4      C-13-H3C(O)CH3
  504875.1387  0.0032 -4.7001 3  414.6212364  59516140445 837 4    44 936 4      C-13-H3C(O)CH3
  504875.2088  0.0032 -5.6432 3  414.6212364  59516140445 937 3    44 936 3      C-13-H3C(O)CH3
  504875.2088  0.0032 -5.6432 3  414.6212364  59516140445 837 3    44 836 3      C-13-H3C(O)CH3
  504881.8363  0.0958 -6.1045 3  860.8019904  595161404563423 1    563126 1      C-13-H3C(O)CH3
  504897.9449  0.2951 -6.5045 3  945.8320936  595161404583919 1    583622 1      C-13-H3C(O)CH3
  504901.1954  0.0038 -4.3503 3  414.6450728 -59516140445 837 1    44 936 1      C-13-H3C(O)CH3
  504901.1954  0.0038 -3.4745 3  414.6450728 -59516140445 937 1    44 936 1      C-13-H3C(O)CH3
  504901.2088  0.0038 -3.4745 3  414.6450728  59516140445 837 1    44 836 1      C-13-H3C(O)CH3
  504901.2088  0.0038 -4.3503 3  414.6450728  59516140445 937 1    44 836 1      C-13-H3C(O)CH3
  504902.0758  0.0038 -5.9135 3  414.6444728  59516140445 937 2    44 936 2      C-13-H3C(O)CH3
  504902.0758  0.0038 -5.9135 3  414.6444728  59516140445 837 2    44 836 2      C-13-H3C(O)CH3
  504902.1301  0.0038 -3.4217 3  414.6444728 -59516140445 937 2    44 836 2      C-13-H3C(O)CH3
  504902.1301  0.0038 -3.4217 3  414.6444728 -59516140445 837 2    44 936 2      C-13-H3C(O)CH3
  504909.4484  0.0234 -6.2770 3  465.3394664  595161404412714 1    412219 1      C-13-H3C(O)CH3
  504924.9689  0.0064 -3.6360 3  226.2492472  595161404291911 1    281810 1      C-13-H3C(O)CH3
  504928.0405  0.0030 -3.4389 3  414.6681728 -59516140445 837 0    44 836 0      C-13-H3C(O)CH3
  504928.0405  0.0030 -4.7987 3  414.6681728 -59516140445 837 0    44 936 0      C-13-H3C(O)CH3
  504928.0405  0.0030 -3.4389 3  414.6681728 -59516140445 937 0    44 936 0      C-13-H3C(O)CH3
  504928.0405  0.0030 -4.7987 3  414.6681728 -59516140445 937 0    44 836 0      C-13-H3C(O)CH3
  504972.4482  0.0390 -5.7323 3  669.8905500  59516140462 459 4    62 260 4      C-13-H3C(O)CH3
  504972.4482  0.0390 -5.3979 3  669.8905500  59516140462 459 4    62 360 4      C-13-H3C(O)CH3
  504972.4482  0.0390 -5.3979 3  669.8905500  59516140462 359 4    62 260 4      C-13-H3C(O)CH3
  504972.4482  0.0390 -5.7323 3  669.8905500  59516140462 359 4    62 360 4      C-13-H3C(O)CH3
  504972.7815  0.0383 -5.2396 3  669.8905500  59516140462 459 3    62 260 3      C-13-H3C(O)CH3
  504972.7815  0.0383 -5.2396 3  669.8905500  59516140462 359 3    62 360 3      C-13-H3C(O)CH3
  504982.7976  0.0720 -6.0118 3  591.9893372  595161404463116 3    453213 3      C-13-H3C(O)CH3
  504994.9541  0.0686 -6.4054 3  860.8048452  595161404563423 4    563126 4      C-13-H3C(O)CH3
  505020.6197  0.0680 -6.4053 3  860.8048452  595161404563423 3    563126 3      C-13-H3C(O)CH3
  505044.4242  0.3649 -6.2626 3  888.2031920  595161404573324 2    563621 2      C-13-H3C(O)CH3
  505048.3507  0.0401 -4.8882 3  707.9201A16  59516140463 459 1    63 460 1      C-13-H3C(O)CH3
  505048.3507  0.0401 -4.8882 3  707.9201A16  59516140463 559 1    63 360 1      C-13-H3C(O)CH3
  505049.8674  0.0377 -5.0054 3  707.9197A16  59516140463 459 2    63 460 2      C-13-H3C(O)CH3
  505049.8674  0.0377 -5.5142 3  707.9197A16  59516140463 459 2    63 360 2      C-13-H3C(O)CH3
  505049.8674  0.0377 -5.0054 3  707.9197A16  59516140463 559 2    63 360 2      C-13-H3C(O)CH3
  505049.8674  0.0377 -5.5142 3  707.9197A16  59516140463 559 2    63 460 2      C-13-H3C(O)CH3
  505056.1335  0.2009 -6.4188 3  855.1616452  595161404563224 4    553521 4      C-13-H3C(O)CH3
  505097.3170  0.2541 -6.2598 3  888.2017920  595161404573324 1    563621 1      C-13-H3C(O)CH3
  505098.5352  0.4513 -6.5177 3  945.8318936  595161404583919 2    583622 2      C-13-H3C(O)CH3
  505148.3183  0.0359 -5.2896 3  591.9525372  595161404463116 4    453214 4      C-13-H3C(O)CH3
  505174.7828  0.0313 -4.9959 3  591.9655744  595161404463116 2    453214 2      C-13-H3C(O)CH3
  505175.7265  0.0059 -3.6314 3  226.2416472  595161404291911 2    281810 2      C-13-H3C(O)CH3
  505199.1690  0.0303 -5.3763 3  591.9821372  595161404463116 3    453214 3      C-13-H3C(O)CH3
  505203.4191  0.0532 -5.7902 3  632.4601492  59516140461 259 3    61 160 3      C-13-H3C(O)CH3
  505203.4191  0.0532 -5.5113 3  632.4601492  59516140461 259 3    61 260 3      C-13-H3C(O)CH3
  505203.4191  0.0532 -5.7902 3  632.4601492  59516140461 359 3    61 260 3      C-13-H3C(O)CH3
  505203.4191  0.0532 -5.5113 3  632.4601492  59516140461 359 3    61 160 3      C-13-H3C(O)CH3
  505203.6706  0.0539 -5.3278 3  632.4601492  59516140461 259 4    61 160 4      C-13-H3C(O)CH3
  505203.6706  0.0539 -5.3278 3  632.4601492  59516140461 359 4    61 260 4      C-13-H3C(O)CH3
  505237.5870  0.1624 -6.3892 3  795.3092436  595161404543123 3    542826 3      C-13-H3C(O)CH3
  505243.2442  0.1628 -6.3893 3  795.3092436  595161404543123 4    542826 4      C-13-H3C(O)CH3
  505255.5904  0.0051 -3.6308 3  226.2569472 -595161404291911 0    281810 0      C-13-H3C(O)CH3
  505256.0439  0.0266 -4.9850 3  591.9680744  595161404463116 0    453213 0      C-13-H3C(O)CH3
  505267.7964  0.0474 -6.2115 3  631.7942760  595161404473414 1    473117 1      C-13-H3C(O)CH3
  505279.7985  0.0278 -5.4238 3  721.8548808  595161404503714 0    493811 0      C-13-H3C(O)CH3
  505279.9325  0.0278 -5.4238 3  721.8548808  595161404503713 0    493812 0      C-13-H3C(O)CH3
  505305.5331  0.0310 -6.2938 3  465.3336664  595161404412714 2    412219 2      C-13-H3C(O)CH3
  505324.5950  0.0473 -6.1075 3  631.7964760  595161404473414 0    473117 0      C-13-H3C(O)CH3
  505334.9537  0.1269 -6.4457 3 1426.8596C88  595161404802060 0    802061 0      C-13-H3C(O)CH3
  505334.9537  0.1269 -5.8067 3 1426.8596C88  595161404802060 0    801961 0      C-13-H3C(O)CH3
  505334.9537  0.1269 -6.4457 3 1426.8596C88  595161404802160 0    801961 0      C-13-H3C(O)CH3
  505334.9537  0.1269 -5.8067 3 1426.8596C88  595161404802160 0    802061 0      C-13-H3C(O)CH3
  505365.6718  0.1458 -6.3281 3 1426.8787C88  595161404802060 1    801961 1      C-13-H3C(O)CH3
  505365.6718  0.1458 -5.8388 3 1426.8787C88  595161404802060 1    802061 1      C-13-H3C(O)CH3
  505365.6718  0.1458 -5.8388 3 1426.8787C88  595161404802160 1    801961 1      C-13-H3C(O)CH3
  505365.6718  0.1458 -6.3281 3 1426.8787C88  595161404802160 1    802061 1      C-13-H3C(O)CH3
  505373.2319  0.0136 -5.6372 3  104.9263164  5951614042015 6 4    1912 8 4      C-13-H3C(O)CH3
  505373.4421  0.1452 -5.7223 3 1426.8796C88  595161404802060 2    802061 2      C-13-H3C(O)CH3
  505373.4421  0.1452 -5.7262 3 1426.8796C88  595161404802160 2    801961 2      C-13-H3C(O)CH3
  505374.0026  0.0294 -5.4234 3  721.8765808  595161404503714 2    493812 2      C-13-H3C(O)CH3
  505388.4521  0.0267 -5.1910 3  707.9264A16  59516140463 559 0    63 460 0      C-13-H3C(O)CH3
  505388.4521  0.0267 -5.1860 3  707.9264A16  59516140463 459 0    63 460 0      C-13-H3C(O)CH3
  505388.4521  0.0267 -5.1910 3  707.9264A16  59516140463 459 0    63 360 0      C-13-H3C(O)CH3
  505388.4521  0.0267 -5.1860 3  707.9264A16  59516140463 559 0    63 360 0      C-13-H3C(O)CH3
  505399.6571  0.0750 -5.5699 3  595.6234484  59516140460 259 3    60 160 3      C-13-H3C(O)CH3
  505399.6571  0.0750 -5.5699 3  595.6234484  59516140460 159 3    60 060 3      C-13-H3C(O)CH3
  505401.0312  0.0755 -6.1938 3  595.6234484  59516140460 159 4    60 160 4      C-13-H3C(O)CH3
  505401.0312  0.0755 -6.1938 3  595.6234484  59516140460 259 4    60 060 4      C-13-H3C(O)CH3
  505401.0312  0.0755 -5.6606 3  595.6234484  59516140460 259 4    60 160 4      C-13-H3C(O)CH3
  505401.0312  0.0755 -5.6606 3  595.6234484  59516140460 159 4    60 060 4      C-13-H3C(O)CH3
  505402.3542  0.0277 -5.0062 3  591.9549744  595161404463116 1    453214 1      C-13-H3C(O)CH3
  505404.2453  0.0968 -6.1938 3 1426.8986644  595161404802160 3    802061 3      C-13-H3C(O)CH3
  505404.2453  0.0968 -6.4954 3 1426.8986644  595161404802160 3    801961 3      C-13-H3C(O)CH3
  505404.2453  0.0968 -6.4954 3 1426.8986644  595161404802060 3    802061 3      C-13-H3C(O)CH3
  505404.2453  0.0968 -6.1938 3 1426.8986644  595161404802060 3    801961 3      C-13-H3C(O)CH3
  505404.3543  0.0969 -6.0213 3 1426.8987644  595161404802060 4    801961 4      C-13-H3C(O)CH3
  505404.3543  0.0969 -6.0213 3 1426.8987644  595161404802160 4    802061 4      C-13-H3C(O)CH3
  505416.4793  0.0304 -5.4240 3  721.8815808  595161404503713 1    493811 1      C-13-H3C(O)CH3
  505427.0378  0.0286 -5.4238 3  721.8600808  595161404503714 1    493812 1      C-13-H3C(O)CH3
  505465.5533  0.0456 -5.5619 3  669.8799A00  59516140462 459 1    62 360 1      C-13-H3C(O)CH3
  505465.5533  0.0456 -5.0462 3  669.8799A00  59516140462 359 1    62 360 1      C-13-H3C(O)CH3
  505465.5533  0.0456 -5.0462 3  669.8799A00  59516140462 459 1    62 260 1      C-13-H3C(O)CH3
  505465.5533  0.0456 -5.5619 3  669.8799A00  59516140462 359 1    62 260 1      C-13-H3C(O)CH3
  505466.4869  0.0410 -4.9392 3  669.8795A00  59516140462 459 2    62 360 2      C-13-H3C(O)CH3
  505466.4869  0.0410 -4.9392 3  669.8795A00  59516140462 359 2    62 260 2      C-13-H3C(O)CH3
  505509.6711  0.0351 -5.7247 3  721.9031404  595161404503713 3    493811 3      C-13-H3C(O)CH3
  505520.7769  0.0323 -5.7245 3  721.8816404  595161404503714 4    493812 4      C-13-H3C(O)CH3
  505577.1181  0.0235 -4.9956 3  592.0022744  595161404463115 2    453213 2      C-13-H3C(O)CH3
  505578.3831  0.0307 -5.4238 3  721.8883808  595161404503713 2    493811 2      C-13-H3C(O)CH3
  505583.7820  0.0090 -6.5242 3  270.1623268  595161404331419 4    331122 4      C-13-H3C(O)CH3
  505584.1146  0.0083 -6.5242 3  270.1623268  595161404331419 3    331122 3      C-13-H3C(O)CH3
  505584.2021  0.0090 -6.5242 3  270.1623268  595161404331519 4    331222 4      C-13-H3C(O)CH3
  505584.5367  0.0083 -6.5242 3  270.1623268  595161404331519 3    331222 3      C-13-H3C(O)CH3
  505598.6986  0.0259 -5.3757 3  591.9893372  595161404463115 3    453213 3      C-13-H3C(O)CH3
  505599.6174  0.0522 -6.1788 3  631.7961760  595161404473414 2    473117 2      C-13-H3C(O)CH3
  505609.1135  0.1658 -6.0888 3  795.3097872  595161404543123 2    542826 2      C-13-H3C(O)CH3
  505637.6982  0.0271 -5.0060 3  591.9845744  595161404463115 1    453213 1      C-13-H3C(O)CH3
  505650.5818  0.0222 -5.2892 3  592.0188372  595161404463115 4    453213 4      C-13-H3C(O)CH3
  505684.0557  0.1006 -6.0886 3  795.3102872  595161404543123 1    542826 1      C-13-H3C(O)CH3
  505688.2009  0.0083 -6.2236 3  270.1801536  595161404331419 2    331122 2      C-13-H3C(O)CH3
  505688.6230  0.0083 -6.2236 3  270.1801536  595161404331519 2    331222 2      C-13-H3C(O)CH3
  505715.8112  0.0405 -5.7250 3  721.9149404  595161404503713 4    493811 4      C-13-H3C(O)CH3
  505722.8989  0.0083 -6.2222 3  270.1817536  595161404331419 1    331122 1      C-13-H3C(O)CH3
  505723.3006  0.0083 -6.2222 3  270.1817536  595161404331519 1    331222 1      C-13-H3C(O)CH3
  505724.9269  0.0341 -5.7248 3  721.8935404  595161404503714 3    493812 3      C-13-H3C(O)CH3
  505725.8633  0.2551 -6.1043 3  855.1481904  595161404563224 2    553521 2      C-13-H3C(O)CH3
  505738.6136  0.0270 -4.9840 3  591.9676744  595161404463115 0    453214 0      C-13-H3C(O)CH3
  505792.2474  0.1812 -6.1033 3  855.1468904  595161404563224 1    553521 1      C-13-H3C(O)CH3
  505807.4724  0.0638 -6.4419 3  631.7849380  595161404473414 4    473117 4      C-13-H3C(O)CH3
  505815.0699  0.0637 -6.0100 3  591.9821372  595161404463115 3    453214 3      C-13-H3C(O)CH3
  505826.8484  0.0075 -6.2219 3  270.1995536  595161404331419 0    331122 0      C-13-H3C(O)CH3
  505827.2504  0.0075 -6.2219 3  270.1995536  595161404331519 0    331222 0      C-13-H3C(O)CH3
  505879.9045  0.0673 -5.0252 3  632.4257984  59516140461 259 2    61 160 2      C-13-H3C(O)CH3
  505879.9045  0.0673 -5.0252 3  632.4257984  59516140461 359 2    61 260 2      C-13-H3C(O)CH3
  505880.4371  0.0721 -5.0543 3  632.4261984  59516140461 259 1    61 260 1      C-13-H3C(O)CH3
  505880.4371  0.0721 -5.0543 3  632.4261984  59516140461 359 1    61 160 1      C-13-H3C(O)CH3
  505880.4371  0.0721 -6.2150 3  632.4261984  59516140461 359 1    61 260 1      C-13-H3C(O)CH3
  505880.4371  0.0721 -6.2150 3  632.4261984  59516140461 259 1    61 160 1      C-13-H3C(O)CH3
  505940.0929  0.1235 -6.3019 3 1378.9309C72  595161404792060 0    791861 0      C-13-H3C(O)CH3
  505940.0929  0.1235 -5.7427 3 1378.9309C72  595161404792060 0    791961 0      C-13-H3C(O)CH3
  505940.0929  0.1235 -5.7427 3 1378.9309C72  595161404791960 0    791861 0      C-13-H3C(O)CH3
  505940.0929  0.1235 -6.3019 3 1378.9309C72  595161404791960 0    791961 0      C-13-H3C(O)CH3
  505954.2715  0.0030 -3.7971 3  420.8756372 -59516140446 739 3    45 738 3      C-13-H3C(O)CH3
  505954.2715  0.0031 -3.9455 3  420.8756372 -59516140446 839 4    45 738 4      C-13-H3C(O)CH3
  505954.2715  0.0030 -3.7971 3  420.8756372 -59516140446 839 3    45 838 3      C-13-H3C(O)CH3
  505954.2715  0.0031 -3.9455 3  420.8756372 -59516140446 739 4    45 838 4      C-13-H3C(O)CH3
  505954.2732  0.0031 -4.0788 3  420.8756372  59516140446 839 4    45 838 4      C-13-H3C(O)CH3
  505954.2732  0.0031 -4.0788 3  420.8756372  59516140446 739 4    45 738 4      C-13-H3C(O)CH3
  505954.3375  0.0030 -4.4293 3  420.8756372  59516140446 739 3    45 838 3      C-13-H3C(O)CH3
  505954.3375  0.0030 -4.4293 3  420.8756372  59516140446 839 3    45 738 3      C-13-H3C(O)CH3
  505958.4376  0.0351 -5.5064 3  669.8689A00  59516140462 459 0    62 360 0      C-13-H3C(O)CH3
  505958.4376  0.0351 -5.0631 3  669.8689A00  59516140462 459 0    62 260 0      C-13-H3C(O)CH3
  505958.4376  0.0351 -5.0631 3  669.8689A00  59516140462 359 0    62 360 0      C-13-H3C(O)CH3
  505958.4376  0.0351 -5.5064 3  669.8689A00  59516140462 359 0    62 260 0      C-13-H3C(O)CH3
  505983.1442  0.0038 -3.4745 3  420.8965744  59516140446 839 1    45 838 1      C-13-H3C(O)CH3
  505983.1442  0.0038 -4.2352 3  420.8965744  59516140446 739 1    45 838 1      C-13-H3C(O)CH3
  505983.2237  0.0038 -3.5890 3  420.8965744 -59516140446 739 1    45 738 1      C-13-H3C(O)CH3
  505983.2237  0.0038 -3.8667 3  420.8965744 -59516140446 839 1    45 738 1      C-13-H3C(O)CH3
  505983.8095  0.0037 -5.1125 3  420.8960744  59516140446 739 2    45 738 2      C-13-H3C(O)CH3
  505983.8095  0.0037 -3.4136 3  420.8960744  59516140446 839 2    45 738 2      C-13-H3C(O)CH3
  505983.8659  0.0037 -5.1125 3  420.8960744 -59516140446 839 2    45 838 2      C-13-H3C(O)CH3
  505983.8659  0.0037 -3.4136 3  420.8960744 -59516140446 739 2    45 838 2      C-13-H3C(O)CH3
  505989.2037  0.1452 -5.6649 3 1378.9476C72  595161404792060 1    791861 1      C-13-H3C(O)CH3
  505989.2037  0.1452 -5.6649 3 1378.9476C72  595161404791960 1    791961 1      C-13-H3C(O)CH3
  505996.1890  0.1447 -6.1115 3 1378.9482C72  595161404791960 2    791961 2      C-13-H3C(O)CH3
  505996.1890  0.1447 -5.8142 3 1378.9482C72  595161404792060 2    791961 2      C-13-H3C(O)CH3
  505996.1890  0.1447 -6.1115 3 1378.9482C72  595161404792060 2    791861 2      C-13-H3C(O)CH3
  505996.1890  0.1447 -5.8142 3 1378.9482C72  595161404791960 2    791861 2      C-13-H3C(O)CH3
  506012.5277  0.0029 -4.4234 3  420.9168744 -59516140446 839 0    45 738 0      C-13-H3C(O)CH3
  506012.5277  0.0029 -4.4234 3  420.9168744 -59516140446 739 0    45 838 0      C-13-H3C(O)CH3
  506012.5762  0.0029 -3.4488 3  420.9168744  59516140446 839 0    45 838 0      C-13-H3C(O)CH3
  506012.5762  0.0029 -3.4488 3  420.9168744  59516140446 739 0    45 738 0      C-13-H3C(O)CH3
  506045.4009  0.0933 -6.0122 3 1378.9650636  595161404791960 3    791861 3      C-13-H3C(O)CH3
  506045.4009  0.0933 -6.0122 3 1378.9650636  595161404792060 3    791961 3      C-13-H3C(O)CH3
  506045.5379  0.0934 -5.9772 3 1378.9650636  595161404792060 4    791961 4      C-13-H3C(O)CH3
  506045.5379  0.0934 -5.9772 3 1378.9650636  595161404791960 4    791861 4      C-13-H3C(O)CH3
  506048.7648  0.1054 -6.0892 3  795.3106872  595161404543123 0    542826 0      C-13-H3C(O)CH3
  506087.3983  0.0049 -3.8521 3  212.0891228  5951614042819 9 3    271810 3      C-13-H3C(O)CH3
  506136.6502  0.0400 -5.8355 3  833.4724856  595161404534211 1    5243 9 1      C-13-H3C(O)CH3
  506141.1613  0.2867 -6.2441 3  888.1799920  595161404573324 0    563621 0      C-13-H3C(O)CH3
  506148.9144  0.0346 -5.8351 3  833.4446856  595161404534212 0    5243 9 0      C-13-H3C(O)CH3
  506148.9145  0.0346 -5.8351 3  833.4446856  595161404534211 0    524310 0      C-13-H3C(O)CH3
  506177.0878  0.0042 -3.5500 3  212.1048456  5951614042819 9 2    271810 2      C-13-H3C(O)CH3
  506201.0200  0.0030 -3.5381 3  212.1198456 -5951614042819 9 0    271810 0      C-13-H3C(O)CH3
  506271.4864  0.0056 -3.5826 3  212.1021456  5951614042819 9 1    271810 1      C-13-H3C(O)CH3
  506291.3195  0.1149 -5.4165 3  595.5586968  59516140460 259 2    60 060 2      C-13-H3C(O)CH3
  506291.3195  0.1149 -5.7339 3  595.5586968  59516140460 159 2    60 060 2      C-13-H3C(O)CH3
  506291.3195  0.1149 -5.7339 3  595.5586968  59516140460 259 2    60 160 2      C-13-H3C(O)CH3
  506291.3195  0.1149 -5.4165 3  595.5586968  59516140460 159 2    60 160 2      C-13-H3C(O)CH3
  506294.5423  0.1191 -5.3334 3  595.5589968  59516140460 259 1    60 160 1      C-13-H3C(O)CH3
  506294.5423  0.1191 -5.9851 3  595.5589968  59516140460 159 1    60 160 1      C-13-H3C(O)CH3
  506294.5423  0.1191 -5.9851 3  595.5589968  59516140460 259 1    60 060 1      C-13-H3C(O)CH3
  506294.5423  0.1191 -5.3334 3  595.5589968  59516140460 159 1    60 060 1      C-13-H3C(O)CH3
  506315.8784  0.0400 -5.8354 3  833.4597856  595161404534212 1    524310 1      C-13-H3C(O)CH3
  506357.9097  0.0503 -6.1371 3  833.4924428  595161404534211 4    5243 9 4      C-13-H3C(O)CH3
  506368.3178  0.0390 -5.8356 3  833.4648856  595161404534212 2    524310 2      C-13-H3C(O)CH3
  506398.0219  0.0116 -3.9321 3  212.0847228  5951614042819 9 4    271810 4      C-13-H3C(O)CH3
  506438.5957  0.0491 -6.1365 3  833.4961428  595161404534211 3    5243 9 3      C-13-H3C(O)CH3
  506450.0588  0.0393 -5.8350 3  833.4684856  595161404534211 2    5243 9 2      C-13-H3C(O)CH3
  506522.8647  0.0457 -6.2979 3  591.9549744  595161404463115 1    453214 1      C-13-H3C(O)CH3
  506524.9541  0.1179 -5.9567 3 1331.5777C56  595161404781860 0    781861 0      C-13-H3C(O)CH3
  506524.9541  0.1179 -5.7815 3 1331.5777C56  595161404781960 0    781861 0      C-13-H3C(O)CH3
  506524.9541  0.1179 -5.7815 3 1331.5777C56  595161404781860 0    781761 0      C-13-H3C(O)CH3
  506524.9541  0.1179 -5.9567 3 1331.5777C56  595161404781960 0    781761 0      C-13-H3C(O)CH3
  506536.4957  0.0498 -6.1369 3  833.4798428  595161404534212 3    524310 3      C-13-H3C(O)CH3
  506555.5616  0.0568 -5.0903 3  632.3917984  59516140461 359 0    61 160 0      C-13-H3C(O)CH3
  506555.5616  0.0568 -5.8705 3  632.3917984  59516140461 359 0    61 260 0      C-13-H3C(O)CH3
  506555.5616  0.0568 -5.8705 3  632.3917984  59516140461 259 0    61 160 0      C-13-H3C(O)CH3
  506555.5616  0.0568 -5.0903 3  632.3917984  59516140461 259 0    61 260 0      C-13-H3C(O)CH3
  506574.4443  0.2049 -6.0956 3  855.1294904  595161404563224 0    553521 0      C-13-H3C(O)CH3
  506592.8736  0.1410 -5.8573 3 1331.5913C56  595161404781960 1    781861 1      C-13-H3C(O)CH3
  506592.8736  0.1410 -5.8631 3 1331.5913C56  595161404781960 1    781761 1      C-13-H3C(O)CH3
  506592.8736  0.1410 -5.8631 3 1331.5913C56  595161404781860 1    781861 1      C-13-H3C(O)CH3
  506592.8736  0.1410 -5.8573 3 1331.5913C56  595161404781860 1    781761 1      C-13-H3C(O)CH3
  506598.8748  0.1406 -5.8854 3 1331.5916C56  595161404781960 2    781861 2      C-13-H3C(O)CH3
  506598.8748  0.1406 -5.8364 3 1331.5916C56  595161404781860 2    781861 2      C-13-H3C(O)CH3
  506598.8748  0.1406 -5.8854 3 1331.5916C56  595161404781860 2    781761 2      C-13-H3C(O)CH3
  506598.8748  0.1406 -5.8364 3 1331.5916C56  595161404781960 2    781761 2      C-13-H3C(O)CH3
  506617.1991  0.0509 -6.1363 3  833.4834428  595161404534212 4    524310 4      C-13-H3C(O)CH3
  506623.7557  0.0102 -5.3832 3  104.9127328  5951614042015 6 1    1912 8 1      C-13-H3C(O)CH3
  506658.5416  0.0290 -6.2536 3  491.6562664  5951614044132 9 2    412912 2      C-13-H3C(O)CH3
  506666.9107  0.0892 -5.8602 3 1331.6053628  595161404781860 3    781861 3      C-13-H3C(O)CH3
  506666.9107  0.0892 -5.8602 3 1331.6053628  595161404781960 3    781761 3      C-13-H3C(O)CH3
  506667.0747  0.0893 -5.8617 3 1331.6053628  595161404781960 4    781861 4      C-13-H3C(O)CH3
  506667.0747  0.0893 -5.8617 3 1331.6053628  595161404781860 4    781761 4      C-13-H3C(O)CH3
  506722.9016  0.0290 -6.2544 3  491.6140664  595161404413210 1    412913 1      C-13-H3C(O)CH3
  506768.2243  0.0311 -5.9369 3  568.5894744  595161404462521 2    462224 2      C-13-H3C(O)CH3
  506803.3563  0.0186 -5.9371 3  568.6090744  595161404462521 0    462224 0      C-13-H3C(O)CH3
  506805.6863  0.0325 -6.2371 3  568.5718372  595161404462521 3    462224 3      C-13-H3C(O)CH3
  506807.2923  0.0329 -6.2371 3  568.5718372  595161404462521 4    462224 4      C-13-H3C(O)CH3
  506813.4798  0.2408 -6.2965 3 1033.8261984  595161404613923 0    613626 0      C-13-H3C(O)CH3
  506841.6970  0.0193 -5.9364 3  568.5915744  595161404462521 1    462224 1      C-13-H3C(O)CH3
  506847.6376  0.0276 -6.2550 3  491.6392664  5951614044132 9 0    412912 0      C-13-H3C(O)CH3
  506855.3539  0.0295 -6.2529 3  491.6374664  5951614044132 9 1    412912 1      C-13-H3C(O)CH3
  506881.7756  0.0043 -4.6205 3  111.7628180  59516140422 913 3    21 814 3      C-13-H3C(O)CH3
  506881.9558  0.0059 -4.6205 3  111.7629180  59516140422 913 4    21 814 4      C-13-H3C(O)CH3
  506888.6976  0.0276 -6.2549 3  491.6378664  595161404413210 0    412913 0      C-13-H3C(O)CH3
  506889.8996  0.0043 -4.6205 3  111.7628180  595161404221013 3    21 714 3      C-13-H3C(O)CH3
  506890.0198  0.0059 -4.6205 3  111.7629180  595161404221013 4    21 714 4      C-13-H3C(O)CH3
  506938.1644  0.0117 -6.0105 3  104.9287164  5951614042015 6 3    1912 8 3      C-13-H3C(O)CH3
  507012.9772  0.0392 -5.9903 3  707.6641824  595161404513022 0    512725 0      C-13-H3C(O)CH3
  507019.7107  0.0100 -5.4005 3  104.9109328  5951614042015 6 2    1912 8 2      C-13-H3C(O)CH3
  507023.4108  0.0290 -6.2569 3  491.6221664  595161404413210 2    412913 2      C-13-H3C(O)CH3
  507029.2412  0.0480 -5.9899 3  707.6564824  595161404513022 2    512725 2      C-13-H3C(O)CH3
  507045.5295  0.0030 -3.8996 3  426.5872380 -59516140447 741 4    46 640 4      C-13-H3C(O)CH3
  507045.5295  0.0030 -3.7180 3  426.5872380 -59516140447 741 3    46 640 3      C-13-H3C(O)CH3
  507045.5295  0.0030 -4.9116 3  426.5872380 -59516140447 741 3    46 740 3      C-13-H3C(O)CH3
  507045.5295  0.0030 -3.8996 3  426.5872380 -59516140447 641 4    46 740 4      C-13-H3C(O)CH3
  507045.5295  0.0030 -4.1098 3  426.5872380 -59516140447 741 4    46 740 4      C-13-H3C(O)CH3
  507045.5295  0.0030 -4.9116 3  426.5872380 -59516140447 641 3    46 640 3      C-13-H3C(O)CH3
  507045.5295  0.0030 -4.1098 3  426.5872380 -59516140447 641 4    46 640 4      C-13-H3C(O)CH3
  507045.5295  0.0030 -3.7180 3  426.5872380 -59516140447 641 3    46 740 3      C-13-H3C(O)CH3
  507056.3304  0.0424 -5.9896 3  707.6577824  595161404513022 1    512725 1      C-13-H3C(O)CH3
  507060.1740  0.0032 -3.9311 3  349.6967300  595161404371720 4    361819 4      C-13-H3C(O)CH3
  507060.3146  0.0032 -3.9311 3  349.6967300  595161404371720 3    361819 3      C-13-H3C(O)CH3
  507070.8693  0.0505 -6.2902 3  707.6499412  595161404513022 4    512725 4      C-13-H3C(O)CH3
  507070.9175  0.0033 -3.6301 3  349.7250600 -595161404371720 1    361819 1      C-13-H3C(O)CH3
  507075.8720  0.0032 -3.9311 3  349.6963300  595161404371820 4    361719 4      C-13-H3C(O)CH3
  507076.0620  0.0032 -3.9311 3  349.6963300  595161404371820 3    361719 3      C-13-H3C(O)CH3
  507076.8183  0.0037 -3.4381 3  426.6041760 -59516140447 641 1    46 640 1      C-13-H3C(O)CH3
  507076.8183  0.0037 -4.3699 3  426.6041760 -59516140447 741 1    46 640 1      C-13-H3C(O)CH3
  507076.8282  0.0037 -4.3699 3  426.6041760  59516140447 641 1    46 740 1      C-13-H3C(O)CH3
  507076.8282  0.0037 -3.4381 3  426.6041760  59516140447 741 1    46 740 1      C-13-H3C(O)CH3
  507077.3249  0.0036 -4.6044 3  426.6036760  59516140447 641 2    46 640 2      C-13-H3C(O)CH3
  507077.3249  0.0036 -3.4174 3  426.6036760  59516140447 741 2    46 640 2      C-13-H3C(O)CH3
  507077.3651  0.0036 -3.4174 3  426.6036760 -59516140447 641 2    46 740 2      C-13-H3C(O)CH3
  507077.3651  0.0036 -4.6044 3  426.6036760 -59516140447 741 2    46 740 2      C-13-H3C(O)CH3
  507077.7486  0.0496 -6.2902 3  707.6499412  595161404513022 3    512725 3      C-13-H3C(O)CH3
  507083.2685  0.0034 -3.6302 3  349.7213600 -595161404371720 2    361819 2      C-13-H3C(O)CH3
  507086.1822  0.0033 -3.6301 3  349.7246600 -595161404371820 1    361719 1      C-13-H3C(O)CH3
  507091.0139  0.1102 -5.5171 3 1284.8009C40  595161404771760 0    771661 0      C-13-H3C(O)CH3
  507091.0139  0.1102 -5.5171 3 1284.8009C40  595161404771860 0    771761 0      C-13-H3C(O)CH3
  507093.9656  0.0028 -3.6302 3  349.7496600 -595161404371720 0    361819 0      C-13-H3C(O)CH3
  507098.9092  0.0034 -3.6302 3  349.7209600  595161404371820 2    361719 2      C-13-H3C(O)CH3
  507108.5310  0.0028 -3.7398 3  426.6204760  59516140447 641 0    46 640 0      C-13-H3C(O)CH3
  507108.5310  0.0028 -3.7398 3  426.6204760  59516140447 741 0    46 740 0      C-13-H3C(O)CH3
  507108.5845  0.0028 -3.6473 3  426.6204760 -59516140447 741 0    46 640 0      C-13-H3C(O)CH3
  507108.5845  0.0028 -3.6473 3  426.6204760 -59516140447 641 0    46 740 0      C-13-H3C(O)CH3
  507108.9860  0.0028 -3.6302 3  349.7491600  595161404371820 0    361719 0      C-13-H3C(O)CH3
  507143.2868  0.0043 -4.3188 3  111.7417360  59516140422 913 2    21 814 2      C-13-H3C(O)CH3
  507151.7086  0.0043 -4.3187 3  111.7417360  595161404221013 2    21 714 2      C-13-H3C(O)CH3
  507168.7085  0.0042 -4.3189 3  111.7431360  59516140422 913 1    21 814 1      C-13-H3C(O)CH3
  507176.8180  0.0042 -4.3189 3  111.7431360  595161404221013 1    21 714 1      C-13-H3C(O)CH3
  507177.4308  0.1331 -5.9415 3 1284.8106C40  595161404771860 1    771761 1      C-13-H3C(O)CH3
  507177.4308  0.1331 -5.6702 3 1284.8106C40  595161404771860 1    771661 1      C-13-H3C(O)CH3
  507177.4308  0.1331 -5.6702 3 1284.8106C40  595161404771760 1    771761 1      C-13-H3C(O)CH3
  507177.4308  0.1331 -5.9415 3 1284.8106C40  595161404771760 1    771661 1      C-13-H3C(O)CH3
  507182.3211  0.1330 -5.7633 3 1284.8107C40  595161404771860 2    771761 2      C-13-H3C(O)CH3
  507182.3211  0.1330 -5.8079 3 1284.8107C40  595161404771760 2    771761 2      C-13-H3C(O)CH3
  507182.3211  0.1330 -5.8079 3 1284.8107C40  595161404771860 2    771661 2      C-13-H3C(O)CH3
  507182.3211  0.1330 -5.7633 3 1284.8107C40  595161404771760 2    771661 2      C-13-H3C(O)CH3
  507183.9960  0.0939 -5.2458 3  595.4943968  59516140460 159 0    60 060 0      C-13-H3C(O)CH3
  507183.9960  0.0939 -5.2458 3  595.4943968  59516140460 259 0    60 160 0      C-13-H3C(O)CH3
  507234.0187  0.0034 -3.8913 3  361.1408308  595161404381622 4    371721 4      C-13-H3C(O)CH3
  507234.1271  0.0034 -3.8913 3  361.1409308  595161404381622 3    371721 3      C-13-H3C(O)CH3
  507234.3015  0.0034 -3.8913 3  361.1408308  595161404381722 4    371621 4      C-13-H3C(O)CH3
  507234.4113  0.0034 -3.8913 3  361.1409308  595161404381722 3    371621 3      C-13-H3C(O)CH3
  507243.4864  0.0035 -3.5903 3  361.1694616 -595161404381722 1    371621 1      C-13-H3C(O)CH3
  507243.4864  0.0035 -3.5903 3  361.1694616 -595161404381622 1    371721 1      C-13-H3C(O)CH3
  507251.5705  0.0036 -3.5904 3  361.1667616 -595161404381722 2    371621 2      C-13-H3C(O)CH3
  507251.5705  0.0036 -3.5904 3  361.1667616 -595161404381622 2    371721 2      C-13-H3C(O)CH3
  507260.5924  0.0029 -3.5904 3  361.1952616 -595161404381622 0    371721 0      C-13-H3C(O)CH3
  507260.8576  0.0029 -3.5904 3  361.1952616 -595161404381722 0    371621 0      C-13-H3C(O)CH3
  507268.8683  0.0845 -5.9692 3 1284.8205620  595161404771760 3    771661 3      C-13-H3C(O)CH3
  507268.8683  0.0845 -6.2461 3 1284.8205620  595161404771760 3    771761 3      C-13-H3C(O)CH3
  507268.8683  0.0845 -5.9692 3 1284.8205620  595161404771860 3    771761 3      C-13-H3C(O)CH3
  507268.8683  0.0845 -6.2461 3 1284.8205620  595161404771860 3    771661 3      C-13-H3C(O)CH3
  507269.0570  0.0846 -6.4387 3 1284.8205620  595161404771860 4    771661 4      C-13-H3C(O)CH3
  507269.0570  0.0846 -5.8939 3 1284.8205620  595161404771760 4    771661 4      C-13-H3C(O)CH3
  507269.0570  0.0846 -6.4387 3 1284.8205620  595161404771760 4    771761 4      C-13-H3C(O)CH3
  507269.0570  0.0846 -5.8939 3 1284.8205620  595161404771860 4    771761 4      C-13-H3C(O)CH3
  507322.1904  0.0113 -5.4834 3  104.9287164  5951614042015 5 3    1912 8 3      C-13-H3C(O)CH3
  507395.0795  0.0339 -6.1607 3  559.3491712  595161404443311 0    443014 0      C-13-H3C(O)CH3
  507410.0029  0.2483 -6.3022 3 1033.8361984  595161404613923 2    613626 2      C-13-H3C(O)CH3
  507413.6020  0.0032 -3.9876 3  337.5569292  595161404361818 3    351917 3      C-13-H3C(O)CH3
  507413.7583  0.0032 -3.9876 3  337.5569292  595161404361818 4    351917 4      C-13-H3C(O)CH3
  507429.5988  0.0043 -4.3181 3  111.7220360  59516140422 913 0    21 814 0      C-13-H3C(O)CH3
  507433.7508  0.0031 -3.6865 3  337.5847584  595161404361818 1    351917 1      C-13-H3C(O)CH3
  507438.0273  0.0043 -4.3181 3  111.7220360  595161404221013 0    21 714 0      C-13-H3C(O)CH3
  507447.2557  0.0033 -3.6867 3  337.5797584  595161404361818 2    351917 2      C-13-H3C(O)CH3
  507451.3618  0.0321 -6.1645 3  559.3741712  595161404443311 2    443014 2      C-13-H3C(O)CH3
  507461.7073  0.0342 -6.4608 3  559.3856356  595161404443311 4    443014 4      C-13-H3C(O)CH3
  507467.2632  0.0027 -3.6867 3  337.6075584  595161404361818 0    351917 0      C-13-H3C(O)CH3
  507467.8087  0.2066 -6.3024 3 1033.8349984  595161404613923 1    613626 1      C-13-H3C(O)CH3
  507496.2922  0.0340 -6.5000 3  559.3563356  595161404443312 3    443014 3      C-13-H3C(O)CH3
  507516.2905  0.0343 -6.1688 3  559.3569712  595161404443311 1    443014 1      C-13-H3C(O)CH3
  507629.2069  0.0363 -6.1700 3  559.3250712  595161404443312 1    443015 1      C-13-H3C(O)CH3
  507639.9294  0.1006 -5.4391 3 1238.6013C24  595161404761760 0    761561 0      C-13-H3C(O)CH3
  507639.9294  0.1006 -5.4391 3 1238.6013C24  595161404761660 0    761661 0      C-13-H3C(O)CH3
  507656.9931  0.0805 -6.1250 3  764.8229840  595161404523617 0    523320 0      C-13-H3C(O)CH3
  507679.3555  0.0338 -6.1603 3  559.3396712  595161404443312 0    443015 0      C-13-H3C(O)CH3
  507719.1110  0.0576 -5.3685 3  532.9608356  595161404442817 4    432914 4      C-13-H3C(O)CH3
  507743.6542  0.1220 -5.5588 3 1238.6065C24  595161404761660 1    761561 1      C-13-H3C(O)CH3
  507743.6542  0.1220 -6.4201 3 1238.6065C24  595161404761660 1    761661 1      C-13-H3C(O)CH3
  507743.6542  0.1220 -5.4498 3 1238.6065C24  595161404761760 1    761561 1      C-13-H3C(O)CH3
  507747.3837  0.1220 -5.4121 3 1238.6065C24  595161404761660 2    761561 2      C-13-H3C(O)CH3
  507747.3837  0.1220 -5.4121 3 1238.6065C24  595161404761760 2    761661 2      C-13-H3C(O)CH3
  507774.3671  0.0035 -3.8602 3  371.9480316  595161404391524 4    381623 4      C-13-H3C(O)CH3
  507774.3708  0.0035 -3.8602 3  371.9480316  595161404391624 4    381523 4      C-13-H3C(O)CH3
  507774.4554  0.0035 -3.8602 3  371.9480316  595161404391524 3    381623 3      C-13-H3C(O)CH3
  507774.4591  0.0035 -3.8602 3  371.9480316  595161404391624 3    381523 3      C-13-H3C(O)CH3
  507778.0541  0.0799 -6.3618 3  764.8322840  595161404523617 1    523320 1      C-13-H3C(O)CH3
  507783.3249  0.0037 -3.5592 3  371.9767632 -595161404391524 1    381623 1      C-13-H3C(O)CH3
  507783.3249  0.0037 -3.5592 3  371.9767632 -595161404391624 1    381523 1      C-13-H3C(O)CH3
  507789.0099  0.0037 -3.5592 3  371.9746632 -595161404391624 2    381523 2      C-13-H3C(O)CH3
  507789.0099  0.0037 -3.5592 3  371.9746632 -595161404391524 2    381623 2      C-13-H3C(O)CH3
  507797.9247  0.0030 -3.5592 3  372.0033632 -595161404391624 0    381523 0      C-13-H3C(O)CH3
  507797.9247  0.0030 -3.5592 3  372.0033632 -595161404391524 0    381623 0      C-13-H3C(O)CH3
  507851.2502  0.0793 -5.7482 3 1238.6116612  595161404761760 3    761661 3      C-13-H3C(O)CH3
  507851.2502  0.0793 -5.7482 3 1238.6116612  595161404761660 3    761561 3      C-13-H3C(O)CH3
  507851.4592  0.0794 -5.7129 3 1238.6116612  595161404761660 4    761661 4      C-13-H3C(O)CH3
  507851.4592  0.0794 -5.7129 3 1238.6116612  595161404761760 4    761561 4      C-13-H3C(O)CH3
  507944.2854  0.0046 -3.4864 3  206.1534212 -5951614042624 2 4    2523 2 4      C-13-H3C(O)CH3
  507961.8500  0.0910 -6.3530 3  764.8335840  595161404523617 2    523320 2      C-13-H3C(O)CH3
  507979.1974  0.1937 -6.5028 3 1867.0116E32  595161404892861 1    892862 1      C-13-H3C(O)CH3
  507979.1974  0.1937 -6.5117 3 1867.0116E32  595161404892961 1    892762 1      C-13-H3C(O)CH3
  507980.3521  0.1877 -6.5232 3 1867.0159E32  595161404892961 2    892862 2      C-13-H3C(O)CH3
  507980.3521  0.1877 -6.5232 3 1867.0159E32  595161404892861 2    892762 2      C-13-H3C(O)CH3
  507994.0564  0.0030 -3.9864 3  337.5419292  595161404361918 4    351817 4      C-13-H3C(O)CH3
  507994.9805  0.0031 -3.9864 3  337.5419292  595161404361918 3    351817 3      C-13-H3C(O)CH3
  507998.3051  0.0367 -6.1672 3  559.3288712  595161404443312 2    443015 2      C-13-H3C(O)CH3
  507999.3376  0.0032 -3.6853 3  337.5701584  595161404361918 1    351817 1      C-13-H3C(O)CH3
  508029.2762  0.0378 -6.5013 3  559.3396356  595161404443311 3    443015 3      C-13-H3C(O)CH3
  508029.7866  0.0032 -3.6855 3  337.5646584  595161404361918 2    351817 2      C-13-H3C(O)CH3
  508034.1253  0.0027 -3.6855 3  337.5928584  595161404361918 0    351817 0      C-13-H3C(O)CH3
  508061.0197  0.0431 -6.4647 3  559.3103356  595161404443312 4    443015 4      C-13-H3C(O)CH3
  508133.4475  0.0039 -3.1850 3  206.1807424 -5951614042624 2 1    2523 2 1      C-13-H3C(O)CH3
  508141.4435  0.0039 -3.1850 3  206.1992424 -5951614042624 2 2    2523 2 2      C-13-H3C(O)CH3
  508146.4287  0.0043 -3.4860 3  206.1132212  5951614042624 3 3    2523 3 3      C-13-H3C(O)CH3
  508146.8909  0.0029 -3.7055 3  431.7580388 -59516140448 543 3    47 642 3      C-13-H3C(O)CH3
  508146.8909  0.0029 -4.6346 3  431.7580388 -59516140448 543 4    47 642 4      C-13-H3C(O)CH3
  508146.8909  0.0029 -4.8639 3  431.7580388 -59516140448 643 3    47 642 3      C-13-H3C(O)CH3
  508146.8909  0.0029 -4.6346 3  431.7580388 -59516140448 643 4    47 542 4      C-13-H3C(O)CH3
  508147.0339  0.0029 -3.7270 3  431.7580388  59516140448 543 4    47 542 4      C-13-H3C(O)CH3
  508147.0339  0.0029 -3.7270 3  431.7580388  59516140448 643 4    47 642 4      C-13-H3C(O)CH3
  508147.0769  0.0029 -4.8639 3  431.7580388  59516140448 543 3    47 542 3      C-13-H3C(O)CH3
  508147.0769  0.0029 -3.7055 3  431.7580388  59516140448 643 3    47 542 3      C-13-H3C(O)CH3
  508173.5550  0.0894 -5.3626 3 1192.9798C08  595161404751560 0    751561 0      C-13-H3C(O)CH3
  508173.5550  0.0894 -5.3626 3 1192.9798C08  595161404751660 0    751461 0      C-13-H3C(O)CH3
  508180.0411  0.0036 -3.4208 3  431.7692776  59516140448 643 1    47 542 1      C-13-H3C(O)CH3
  508180.0411  0.0036 -3.4208 3  431.7692776  59516140448 543 1    47 642 1      C-13-H3C(O)CH3
  508180.2706  0.0036 -4.4730 3  431.7688776 -59516140448 643 2    47 542 2      C-13-H3C(O)CH3
  508180.2706  0.0036 -4.3776 3  431.7692776 -59516140448 543 1    47 542 1      C-13-H3C(O)CH3
  508180.2706  0.0036 -4.4730 3  431.7688776 -59516140448 543 2    47 642 2      C-13-H3C(O)CH3
  508180.2706  0.0036 -4.3776 3  431.7692776 -59516140448 643 1    47 642 1      C-13-H3C(O)CH3
  508180.3911  0.0036 -3.4114 3  431.7688776  59516140448 643 2    47 642 2      C-13-H3C(O)CH3
  508180.3911  0.0036 -3.4114 3  431.7688776  59516140448 543 2    47 542 2      C-13-H3C(O)CH3
  508209.7012  0.0044 -3.4859 3  206.1242212 -5951614042624 2 3    2523 2 3      C-13-H3C(O)CH3
  508213.3044  0.0028 -3.3753 3  431.7800776 -59516140448 643 0    47 542 0      C-13-H3C(O)CH3
  508213.3044  0.0028 -3.3753 3  431.7800776 -59516140448 543 0    47 642 0      C-13-H3C(O)CH3
  508270.1212  0.0452 -4.9789 3  532.9547712  595161404442817 2    432914 2      C-13-H3C(O)CH3
  508290.3629  0.0275 -4.9681 3  215.3107228  5951614042820 9 4    2719 8 4      C-13-H3C(O)CH3
  508292.3591  0.1081 -6.3889 3 1192.9798C08  595161404751660 1    751461 1      C-13-H3C(O)CH3
  508292.3591  0.1081 -5.3828 3 1192.9798C08  595161404751560 1    751461 1      C-13-H3C(O)CH3
  508292.3591  0.1081 -6.3889 3 1192.9798C08  595161404751560 1    751561 1      C-13-H3C(O)CH3
  508292.3591  0.1081 -5.3828 3 1192.9798C08  595161404751660 1    751561 1      C-13-H3C(O)CH3
  508294.9552  0.1083 -5.3892 3 1192.9797C08  595161404751660 2    751561 2      C-13-H3C(O)CH3
  508294.9552  0.1083 -6.3288 3 1192.9797C08  595161404751660 2    751461 2      C-13-H3C(O)CH3
  508294.9552  0.1083 -6.3288 3 1192.9797C08  595161404751560 2    751561 2      C-13-H3C(O)CH3
  508294.9552  0.1083 -5.3892 3 1192.9797C08  595161404751560 2    751461 2      C-13-H3C(O)CH3
  508329.8063  0.2092 -6.2793 3 1003.7992968  595161404603922 0    603625 0      C-13-H3C(O)CH3
  508331.0652  0.0036 -3.1847 3  206.2265424 -5951614042624 3 0    2523 2 0      C-13-H3C(O)CH3
  508331.0652  0.0036 -3.1847 3  206.2265424 -5951614042624 2 0    2523 3 0      C-13-H3C(O)CH3
  508343.1933  0.0037 -3.1846 3  206.1590424 -5951614042624 3 2    2523 3 2      C-13-H3C(O)CH3
  508343.7982  0.0175 -5.9350 3  568.6091744  595161404462621 0    462324 0      C-13-H3C(O)CH3
  508373.3168  0.0258 -5.9348 3  568.5895744  595161404462621 2    462324 2      C-13-H3C(O)CH3
  508398.6214  0.0038 -3.1845 3  206.1515424 -5951614042624 3 1    2523 3 1      C-13-H3C(O)CH3
  508407.9320  0.0064 -5.0721 3  104.8962328  5951614042015 5 0    1912 8 0      C-13-H3C(O)CH3
  508411.0009  0.0047 -3.4854 3  206.0841212 -5951614042624 3 4    2523 3 4      C-13-H3C(O)CH3
  508413.9089  0.0737 -5.6557 3 1192.9796604  595161404751560 3    751561 3      C-13-H3C(O)CH3
  508413.9089  0.0737 -5.6557 3 1192.9796604  595161404751660 3    751461 3      C-13-H3C(O)CH3
  508414.1308  0.0738 -5.6552 3 1192.9796604  595161404751560 4    751461 4      C-13-H3C(O)CH3
  508414.1308  0.0738 -5.6430 3 1192.9796604  595161404751660 4    751561 4      C-13-H3C(O)CH3
  508420.7898  0.0193 -5.9343 3  568.5915744  595161404462621 1    462324 1      C-13-H3C(O)CH3
  508423.9600  0.0080 -6.2992 3  250.3388520  595161404321319 2    321022 2      C-13-H3C(O)CH3
  508424.0820  0.0080 -6.2992 3  250.3388520  595161404321419 2    321122 2      C-13-H3C(O)CH3
  508450.4644  0.0274 -6.2350 3  568.5718372  595161404462621 4    462324 4      C-13-H3C(O)CH3
  508451.4896  0.0271 -6.2350 3  568.5719372  595161404462621 3    462324 3      C-13-H3C(O)CH3
  508455.6724  0.0080 -6.2978 3  250.3403520  595161404321319 1    321022 1      C-13-H3C(O)CH3
  508455.7880  0.0080 -6.2978 3  250.3403520  595161404321419 1    321122 1      C-13-H3C(O)CH3
  508517.6750  0.0036 -3.8344 3  382.1518324  595161404401426 4    391525 4      C-13-H3C(O)CH3
  508517.6750  0.0036 -3.8344 3  382.1518324  595161404401526 4    391425 4      C-13-H3C(O)CH3
  508517.7544  0.0036 -3.8344 3  382.1518324  595161404401426 3    391525 3      C-13-H3C(O)CH3
  508517.7544  0.0036 -3.8344 3  382.1518324  595161404401526 3    391425 3      C-13-H3C(O)CH3
  508527.2975  0.0038 -3.5334 3  382.1807648 -595161404401526 1    391425 1      C-13-H3C(O)CH3
  508527.2975  0.0038 -3.5334 3  382.1807648 -595161404401426 1    391525 1      C-13-H3C(O)CH3
  508531.4304  0.0038 -3.5335 3  382.1790648 -595161404401526 2    391425 2      C-13-H3C(O)CH3
  508531.4304  0.0038 -3.5335 3  382.1790648 -595161404401426 2    391525 2      C-13-H3C(O)CH3
  508540.9119  0.0031 -3.5335 3  382.2079648 -595161404401426 0    391525 0      C-13-H3C(O)CH3
  508540.9119  0.0031 -3.5335 3  382.2079648 -595161404401526 0    391425 0      C-13-H3C(O)CH3
  508588.1934  0.1035 -6.5032 3  764.8322840  595161404523616 1    523320 1      C-13-H3C(O)CH3
  508597.2554  0.0378 -5.1455 3  532.9357356  595161404442817 3    432914 3      C-13-H3C(O)CH3
  508608.9837  0.0073 -6.2974 3  250.3541520  595161404321319 0    321022 0      C-13-H3C(O)CH3
  508609.0997  0.0073 -6.2974 3  250.3541520  595161404321419 0    321122 0      C-13-H3C(O)CH3
  508614.5063  0.0104 -5.3585 3  104.9127328  5951614042015 5 1    1912 8 1      C-13-H3C(O)CH3
  508693.9578  0.0772 -5.4096 3 1147.9370B92  595161404741460 0    741461 0      C-13-H3C(O)CH3
  508693.9578  0.0772 -5.8522 3 1147.9370B92  595161404741460 0    741361 0      C-13-H3C(O)CH3
  508693.9578  0.0772 -5.8522 3 1147.9370B92  595161404741560 0    741461 0      C-13-H3C(O)CH3
  508693.9578  0.0772 -5.4096 3 1147.9370B92  595161404741560 0    741361 0      C-13-H3C(O)CH3
  508694.0393  0.0105 -5.3463 3  104.9109328  5951614042015 5 2    1912 8 2      C-13-H3C(O)CH3
  508728.1244  0.0274 -4.9104 3  532.9390712  595161404442817 1    432914 1      C-13-H3C(O)CH3
  508782.1801  0.1659 -6.4634 3 1813.9267E16  595161404882761 1    882662 1      C-13-H3C(O)CH3
  508782.1801  0.1659 -6.4634 3 1813.9267E16  595161404882861 1    882762 1      C-13-H3C(O)CH3
  508785.6080  0.1631 -6.3988 3 1813.9307E16  595161404882861 2    882762 2      C-13-H3C(O)CH3
  508791.5235  0.1386 -6.2095 3  910.9898920  595161404573820 0    573523 0      C-13-H3C(O)CH3
  508824.4031  0.0924 -5.3067 3 1147.9314B92  595161404741560 1    741461 1      C-13-H3C(O)CH3
  508824.4031  0.0924 -6.4342 3 1147.9314B92  595161404741560 1    741361 1      C-13-H3C(O)CH3
  508824.4031  0.0924 -5.3067 3 1147.9314B92  595161404741460 1    741361 1      C-13-H3C(O)CH3
  508824.4031  0.0924 -6.4342 3 1147.9314B92  595161404741460 1    741461 1      C-13-H3C(O)CH3
  508825.9680  0.0926 -6.5328 3 1147.9312B92  595161404741460 2    741361 2      C-13-H3C(O)CH3
  508825.9680  0.0926 -5.3002 3 1147.9312B92  595161404741560 2    741361 2      C-13-H3C(O)CH3
  508825.9680  0.0926 -6.5328 3 1147.9312B92  595161404741560 2    741461 2      C-13-H3C(O)CH3
  508825.9680  0.0926 -5.3002 3 1147.9312B92  595161404741460 2    741461 2      C-13-H3C(O)CH3
  508836.0459  0.0323 -5.6564 3  792.5335840  595161404524013 0    514110 0      C-13-H3C(O)CH3
  508836.0471  0.0323 -5.6564 3  792.5335840  595161404524012 0    514111 0      C-13-H3C(O)CH3
  508836.9230  0.1833 -6.3957 3 1813.9132E16  595161404882861 0    882662 0      C-13-H3C(O)CH3
  508836.9230  0.1833 -6.3957 3 1813.9132E16  595161404882761 0    882762 0      C-13-H3C(O)CH3
  508907.1187  0.0366 -5.6568 3  792.5611840  595161404524012 1    514110 1      C-13-H3C(O)CH3
  508954.9026  0.1395 -6.5181 3  764.8335840  595161404523616 2    523320 2      C-13-H3C(O)CH3
  508956.5663  0.0680 -5.6065 3 1147.9256596  595161404741560 3    741361 3      C-13-H3C(O)CH3
  508956.5663  0.0680 -5.6065 3 1147.9256596  595161404741460 3    741461 3      C-13-H3C(O)CH3
  508956.7902  0.0681 -5.6086 3 1147.9256596  595161404741560 4    741461 4      C-13-H3C(O)CH3
  508956.7902  0.0681 -5.6086 3 1147.9256596  595161404741460 4    741361 4      C-13-H3C(O)CH3
  508977.1959  0.0166 -4.3035 3  215.3169456  5951614042820 9 1    2719 8 1      C-13-H3C(O)CH3
  508983.5958  0.2233 -6.3106 3 1003.8098968  595161404603922 2    603625 2      C-13-H3C(O)CH3
  508999.9625  0.1788 -6.3069 3 1003.8093968  595161404603922 1    603625 1      C-13-H3C(O)CH3
  509017.3080  0.0340 -5.6566 3  792.5459840  595161404524013 1    514111 1      C-13-H3C(O)CH3
  509030.7085  0.0143 -5.7066 3  104.9263164  5951614042015 5 4    1912 8 4      C-13-H3C(O)CH3
  509034.6130  0.0171 -4.7893 3  532.9389712  595161404442817 0    432914 0      C-13-H3C(O)CH3
  509068.2800  0.0348 -5.6562 3  792.5592840  595161404524013 2    514111 2      C-13-H3C(O)CH3
  509120.6960  0.0356 -5.6567 3  792.5598840  595161404524012 2    514110 2      C-13-H3C(O)CH3
  509139.4178  0.0444 -5.9576 3  792.5869420  595161404524012 3    514110 3      C-13-H3C(O)CH3
  509145.7591  0.0136 -6.0259 3   89.1955148  5951614041816 3 4    1713 5 4      C-13-H3C(O)CH3
  509176.7096  0.0044 -4.4301 3  148.6048196  595161404241510 4    231211 4      C-13-H3C(O)CH3
  509179.0856  0.0138 -6.0881 3   89.2695148  5951614041816 2 3    1713 4 3      C-13-H3C(O)CH3
  509193.5165  0.0473 -5.9581 3  792.5873420  595161404524012 4    514110 4      C-13-H3C(O)CH3
  509197.7648  0.0061 -6.2502 3   67.9095280  5951614041711 7 1    16 610 1      C-13-H3C(O)CH3
  509203.4313  0.0646 -5.2216 3 1103.4735B76  595161404731460 0    731361 0      C-13-H3C(O)CH3
  509203.4313  0.0646 -5.2216 3 1103.4735B76  595161404731360 0    731261 0      C-13-H3C(O)CH3
  509217.5183  0.0064 -6.2496 3   67.9081280  5951614041711 7 2    16 610 2      C-13-H3C(O)CH3
  509219.1837  0.0052 -4.4299 3  148.6045196  595161404241510 3    231211 3      C-13-H3C(O)CH3
  509249.2055  0.0423 -5.9574 3  792.5716420  595161404524013 4    514111 4      C-13-H3C(O)CH3
  509255.1553  0.1321 -6.3681 3  911.0013920  595161404573820 1    573523 1      C-13-H3C(O)CH3
  509257.7527  0.0028 -3.8369 3  436.3897396  59516140449 545 4    48 544 4      C-13-H3C(O)CH3
  509257.7527  0.0028 -3.8369 3  436.3897396  59516140449 445 4    48 444 4      C-13-H3C(O)CH3
  509257.7663  0.0028 -4.1402 3  436.3897396 -59516140449 545 4    48 444 4      C-13-H3C(O)CH3
  509257.7663  0.0028 -4.1402 3  436.3897396 -59516140449 445 4    48 544 4      C-13-H3C(O)CH3
  509257.7663  0.0028 -4.2726 3  436.3897396 -59516140449 445 3    48 544 3      C-13-H3C(O)CH3
  509257.7663  0.0028 -3.7835 3  436.3897396 -59516140449 545 3    48 544 3      C-13-H3C(O)CH3
  509257.7795  0.0028 -3.7835 3  436.3897396  59516140449 445 3    48 444 3      C-13-H3C(O)CH3
  509257.7795  0.0028 -4.2726 3  436.3897396  59516140449 545 3    48 444 3      C-13-H3C(O)CH3
  509291.2069  0.0036 -5.7789 3  436.3932792  59516140449 445 1    48 544 1      C-13-H3C(O)CH3
  509291.2069  0.0036 -5.7789 3  436.3932792  59516140449 545 1    48 444 1      C-13-H3C(O)CH3
  509291.3657  0.0036 -3.3622 3  436.3932792 -59516140449 545 1    48 544 1      C-13-H3C(O)CH3
  509291.3657  0.0036 -3.6541 3  436.3927792 -59516140449 545 2    48 444 2      C-13-H3C(O)CH3
  509291.3657  0.0036 -3.3622 3  436.3932792 -59516140449 445 1    48 444 1      C-13-H3C(O)CH3
  509291.3657  0.0036 -3.6541 3  436.3927792 -59516140449 445 2    48 544 2      C-13-H3C(O)CH3
  509291.4264  0.0036 -3.6692 3  436.3927792  59516140449 545 2    48 544 2      C-13-H3C(O)CH3
  509291.4264  0.0036 -3.6692 3  436.3927792  59516140449 445 2    48 444 2      C-13-H3C(O)CH3
  509298.6332  0.0680 -6.5060 3 1000.2890920  5951614045749 9 1    5650 7 1      C-13-H3C(O)CH3
  509302.4189  0.0435 -5.9579 3  792.5722420  595161404524013 3    514111 3      C-13-H3C(O)CH3
  509315.9281  0.1568 -6.3857 3  911.0014920  595161404573820 2    573523 2      C-13-H3C(O)CH3
  509324.7574  0.0028 -3.5097 3  436.3962792 -59516140449 445 0    48 544 0      C-13-H3C(O)CH3
  509324.7574  0.0028 -3.5097 3  436.3962792 -59516140449 545 0    48 444 0      C-13-H3C(O)CH3
  509324.7942  0.0028 -3.8968 3  436.3962792  59516140449 545 0    48 544 0      C-13-H3C(O)CH3
  509324.7942  0.0028 -3.8968 3  436.3962792  59516140449 445 0    48 444 0      C-13-H3C(O)CH3
  509340.6931  0.0761 -6.1685 3 1103.4621B76  595161404731360 1    731361 1      C-13-H3C(O)CH3
  509340.6931  0.0761 -5.2632 3 1103.4621B76  595161404731360 1    731261 1      C-13-H3C(O)CH3
  509340.6931  0.0761 -5.2632 3 1103.4621B76  595161404731460 1    731361 1      C-13-H3C(O)CH3
  509340.6931  0.0761 -6.1685 3 1103.4621B76  595161404731460 1    731261 1      C-13-H3C(O)CH3
  509341.3956  0.0761 -5.4456 3 1103.4619B76  595161404731460 2    731361 2      C-13-H3C(O)CH3
  509341.3956  0.0761 -5.5937 3 1103.4619B76  595161404731460 2    731261 2      C-13-H3C(O)CH3
  509341.3956  0.0761 -5.4456 3 1103.4619B76  595161404731360 2    731261 2      C-13-H3C(O)CH3
  509341.3956  0.0761 -5.5937 3 1103.4619B76  595161404731360 2    731361 2      C-13-H3C(O)CH3
  509369.2672  0.0291 -6.0129 3  532.9099356  595161404442817 3    432915 3      C-13-H3C(O)CH3
  509372.2121  0.0067 -4.4064 3  145.7423196  595161404241311 3    231212 3      C-13-H3C(O)CH3
  509374.2094  0.0773 -6.5067 3 1000.2717920  5951614045749 9 2    5650 7 2      C-13-H3C(O)CH3
  509378.5168  0.0057 -4.1052 3  145.7361392  595161404241311 2    231212 2      C-13-H3C(O)CH3
  509381.3321  0.0036 -3.8124 3  391.7724332 -595161404411328 4    401427 4      C-13-H3C(O)CH3
  509381.3321  0.0036 -3.8124 3  391.7724332 -595161404411428 4    401327 4      C-13-H3C(O)CH3
  509381.3321  0.0036 -3.8123 3  391.7724332 -595161404411328 3    401427 3      C-13-H3C(O)CH3
  509381.3321  0.0036 -3.8126 3  391.7724332 -595161404411428 3    401327 3      C-13-H3C(O)CH3
  509381.4830  0.0052 -4.1290 3  148.6029392  595161404241510 1    231211 1      C-13-H3C(O)CH3
  509385.5112  0.0082 -4.4064 3  145.7423196  595161404241311 4    231212 4      C-13-H3C(O)CH3
  509392.3036  0.0039 -3.5115 3  391.8014664 -595161404411428 1    401327 1      C-13-H3C(O)CH3
  509392.3036  0.0039 -3.5115 3  391.8014664 -595161404411328 1    401427 1      C-13-H3C(O)CH3
  509395.3700  0.0039 -3.5113 3  391.8000664 -595161404411328 2    401427 2      C-13-H3C(O)CH3
  509395.3700  0.0039 -3.5113 3  391.8000664 -595161404411428 2    401327 2      C-13-H3C(O)CH3
  509406.1027  0.0032 -3.5131 3  391.8289664 -595161404411428 0    401327 0      C-13-H3C(O)CH3
  509406.1027  0.0032 -3.5114 3  391.8289664 -595161404411328 0    401427 0      C-13-H3C(O)CH3
  509406.2000  0.0032 -6.0068 3  391.8289664  595161404411428 0    401427 0      C-13-H3C(O)CH3
  509423.3967  0.0177 -3.9715 3  215.3165456  5951614042820 9 2    2719 8 2      C-13-H3C(O)CH3
  509437.5652  0.0193 -4.0661 3  215.2911228  5951614042820 9 3    2719 8 3      C-13-H3C(O)CH3
  509466.3703  0.0039 -3.5873 3  209.7587220 -5951614042722 5 4    2621 5 4      C-13-H3C(O)CH3
  509475.2552  0.0731 -6.5065 3 1000.2895920  5951614045749 8 1    5650 6 1      C-13-H3C(O)CH3
  509477.6171  0.0144 -6.0885 3   89.2569148  5951614041816 3 3    1713 5 3      C-13-H3C(O)CH3
  509478.8083  0.0623 -5.5179 3 1103.4505588  595161404731360 3    731361 3      C-13-H3C(O)CH3
  509478.8083  0.0623 -5.5179 3 1103.4505588  595161404731460 3    731261 3      C-13-H3C(O)CH3
  509479.0190  0.0623 -6.0973 3 1103.4505588  595161404731360 4    731261 4      C-13-H3C(O)CH3
  509479.0190  0.0623 -5.6441 3 1103.4505588  595161404731460 4    731261 4      C-13-H3C(O)CH3
  509479.0190  0.0623 -6.0973 3 1103.4505588  595161404731460 4    731361 4      C-13-H3C(O)CH3
  509479.0190  0.0623 -5.6441 3 1103.4505588  595161404731360 4    731361 4      C-13-H3C(O)CH3
  509480.4620  0.0050 -4.1301 3  148.5966392  595161404241510 2    231211 2      C-13-H3C(O)CH3
  509517.3323  0.0147 -6.0364 3   89.3309148  5951614041816 2 4    1713 4 4      C-13-H3C(O)CH3
  509525.1829  0.0057 -4.1052 3  145.7396392  595161404241311 1    231212 1      C-13-H3C(O)CH3
  509526.2896  0.0053 -4.1050 3  145.7334392 -595161404241311 0    231212 0      C-13-H3C(O)CH3
  509565.5991  0.1457 -6.4026 3 1761.4117E00  595161404872761 2    872662 2      C-13-H3C(O)CH3
  509565.5991  0.1457 -6.4026 3 1761.4117E00  595161404872661 2    872562 2      C-13-H3C(O)CH3
  509567.7050  0.0712 -6.5056 3 1000.2605920  5951614045749 9 0    5650 6 0      C-13-H3C(O)CH3
  509567.7050  0.0712 -6.5056 3 1000.2605920  5951614045749 8 0    5650 7 0      C-13-H3C(O)CH3
  509610.1278  0.1635 -6.4379 3 1761.3920E00  595161404872761 0    872562 0      C-13-H3C(O)CH3
  509610.1278  0.1635 -6.4379 3 1761.3920E00  595161404872661 0    872662 0      C-13-H3C(O)CH3
  509616.2297  0.0035 -3.5872 3  209.7228220 -5951614042722 5 3    2621 5 3      C-13-H3C(O)CH3
  509623.7466  0.0032 -3.2859 3  209.7692440 -5951614042722 5 1    2621 5 1      C-13-H3C(O)CH3
  509650.2066  0.0062 -6.2465 3   67.8714280  5951614041711 7 0    16 610 0      C-13-H3C(O)CH3
  509661.3136  0.0053 -4.1301 3  148.5949392  595161404241510 0    231211 0      C-13-H3C(O)CH3
  509672.3110  0.0034 -3.2857 3  209.7813440 -5951614042722 5 2    2621 5 2      C-13-H3C(O)CH3
  509674.3123  0.0036 -3.5869 3  209.7196220 -5951614042722 6 3    2621 6 3      C-13-H3C(O)CH3
  509690.5560  0.0272 -6.5303 3  410.3947600  5951614043731 7 1    372810 1      C-13-H3C(O)CH3
  509704.5070  0.0524 -5.6355 3 1059.5898B60  595161404721260 0    721261 0      C-13-H3C(O)CH3
  509704.5070  0.0524 -5.3269 3 1059.5898B60  595161404721260 0    721161 0      C-13-H3C(O)CH3
  509704.5070  0.0524 -5.6355 3 1059.5898B60  595161404721360 0    721161 0      C-13-H3C(O)CH3
  509704.5070  0.0524 -5.3269 3 1059.5898B60  595161404721360 0    721261 0      C-13-H3C(O)CH3
  509705.2622  0.0108 -5.9754 3  419.2684648  595161404402020 0    401723 0      C-13-H3C(O)CH3
  509733.6007  0.0130 -5.9757 3  419.2398648  595161404402020 2    401723 2      C-13-H3C(O)CH3
  509739.5319  0.0256 -5.2400 3  532.9057712  595161404442817 2    432915 2      C-13-H3C(O)CH3
  509748.6160  0.0278 -6.5292 3  410.4259600  5951614043731 6 2    3728 9 2      C-13-H3C(O)CH3
  509758.3162  0.0745 -6.5065 3 1000.2758920  5951614045749 8 2    5650 6 2      C-13-H3C(O)CH3
  509769.4151  0.0108 -5.9753 3  419.2684648  595161404402120 0    401823 0      C-13-H3C(O)CH3
  509782.5839  0.0118 -5.9748 3  419.2421648  595161404402020 1    401723 1      C-13-H3C(O)CH3
  509791.9113  0.0191 -5.4034 3  532.9035712  595161404442817 1    432915 1      C-13-H3C(O)CH3
  509800.8615  0.0129 -5.9756 3  419.2398648  595161404402120 2    401823 2      C-13-H3C(O)CH3
  509811.1561  0.0136 -6.2760 3  419.2134324  595161404402020 3    401723 3      C-13-H3C(O)CH3
  509811.3692  0.0136 -6.2759 3  419.2133324  595161404402020 4    401723 4      C-13-H3C(O)CH3
  509815.2461  0.0261 -6.5335 3  410.4091600  5951614043731 7 2    372810 2      C-13-H3C(O)CH3
  509821.2254  0.0030 -3.2856 3  209.7455440 -5951614042722 6 2    2621 6 2      C-13-H3C(O)CH3
  509824.0254  0.0032 -3.5867 3  209.6838220 -5951614042722 6 4    2621 6 4      C-13-H3C(O)CH3
  509828.6422  0.0028 -3.2853 3  209.7918440 -5951614042722 6 0    2621 5 0      C-13-H3C(O)CH3
  509829.4972  0.0028 -3.2853 3  209.7917440 -5951614042722 5 0    2621 6 0      C-13-H3C(O)CH3
  509830.8852  0.0028 -3.2855 3  209.7302440 -5951614042722 6 1    2621 6 1      C-13-H3C(O)CH3
  509841.8533  0.0029 -3.4405 3  215.3281456 -5951614042820 9 0    2719 8 0      C-13-H3C(O)CH3
  509842.1904  0.0609 -6.1578 3 1059.5727B60  595161404721260 1    721261 1      C-13-H3C(O)CH3
  509842.1904  0.0609 -6.1578 3 1059.5727B60  595161404721360 1    721161 1      C-13-H3C(O)CH3
  509842.1904  0.0609 -5.1982 3 1059.5727B60  595161404721260 1    721161 1      C-13-H3C(O)CH3
  509842.1904  0.0609 -5.1982 3 1059.5727B60  595161404721360 1    721261 1      C-13-H3C(O)CH3
  509842.2542  0.0607 -5.1719 3 1059.5726B60  595161404721260 2    721261 2      C-13-H3C(O)CH3
  509842.2542  0.0607 -5.1719 3 1059.5726B60  595161404721360 2    721161 2      C-13-H3C(O)CH3
  509842.2542  0.0607 -6.5231 3 1059.5726B60  595161404721260 2    721161 2      C-13-H3C(O)CH3
  509842.2542  0.0607 -6.5231 3 1059.5726B60  595161404721360 2    721261 2      C-13-H3C(O)CH3
  509847.8539  0.0118 -5.9747 3  419.2421648  595161404402120 1    401823 1      C-13-H3C(O)CH3
  509879.6089  0.0135 -6.2759 3  419.2134324  595161404402120 3    401823 3      C-13-H3C(O)CH3
  509879.6575  0.0135 -6.2759 3  419.2133324  595161404402120 4    401823 4      C-13-H3C(O)CH3
  509906.2152  0.0038 -3.7688 3  215.3107228 -5951614042820 8 4    2719 8 4      C-13-H3C(O)CH3
  509938.8694  0.0049 -4.0225 3  215.2911228 -5951614042820 8 3    2719 8 3      C-13-H3C(O)CH3
  509959.4805  0.0118 -5.7300 3   89.2145296  5951614041816 3 1    1713 5 1      C-13-H3C(O)CH3
  509980.0801  0.0568 -6.0359 3 1059.5555580  595161404721360 3    721261 3      C-13-H3C(O)CH3
  509980.0801  0.0568 -5.5854 3 1059.5555580  595161404721360 3    721161 3      C-13-H3C(O)CH3
  509980.0801  0.0568 -5.5854 3 1059.5555580  595161404721260 3    721261 3      C-13-H3C(O)CH3
  509980.0801  0.0568 -6.0359 3 1059.5555580  595161404721260 3    721161 3      C-13-H3C(O)CH3
  509980.2580  0.0568 -5.4548 3 1059.5554580  595161404721260 4    721261 4      C-13-H3C(O)CH3
  509980.2580  0.0568 -5.4548 3 1059.5554580  595161404721360 4    721161 4      C-13-H3C(O)CH3
  509998.5751  0.0287 -5.4147 3  532.8848356  595161404442817 4    432915 4      C-13-H3C(O)CH3
  510014.9768  0.0031 -3.5052 3  215.3169456 -5951614042820 8 1    2719 8 1      C-13-H3C(O)CH3
  510016.4338  0.0709 -6.2930 3  677.4360404  595161404502822 3    502525 3      C-13-H3C(O)CH3
  510019.7924  0.0716 -6.2930 3  677.4359404  595161404502822 4    502525 4      C-13-H3C(O)CH3
  510036.6122  0.0117 -5.7349 3   89.2871296  5951614041816 2 1    1713 4 1      C-13-H3C(O)CH3
  510052.9780  0.0112 -5.7322 3   89.2243296  5951614041816 3 2    1713 5 2      C-13-H3C(O)CH3
  510055.3937  0.0055 -4.9287 3   90.7116172  59516140421 615 3    20 516 3      C-13-H3C(O)CH3
  510055.3974  0.0055 -4.9287 3   90.7116172  59516140421 715 3    20 416 3      C-13-H3C(O)CH3
  510055.5148  0.0072 -4.9287 3   90.7117172  59516140421 615 4    20 516 4      C-13-H3C(O)CH3
  510055.5184  0.0072 -4.9287 3   90.7117172  59516140421 715 4    20 416 4      C-13-H3C(O)CH3
  510062.3130  0.0037 -3.5919 3  215.3165456 -5951614042820 8 2    2719 8 2      C-13-H3C(O)CH3
  510077.9698  0.0270 -6.5322 3  410.4299600  5951614043731 6 0    3728 9 0      C-13-H3C(O)CH3
  510078.8526  0.0270 -6.5322 3  410.4299600  5951614043731 7 0    372810 0      C-13-H3C(O)CH3
  510121.8108  0.0700 -5.9927 3  677.4448808  595161404502822 2    502525 2      C-13-H3C(O)CH3
  510125.6295  0.0285 -6.5287 3  410.4085600  5951614043731 6 1    3728 9 1      C-13-H3C(O)CH3
  510199.9629  0.0415 -6.0104 3 1016.2864B44  595161404711260 0    711161 0      C-13-H3C(O)CH3
  510199.9629  0.0415 -5.1548 3 1016.2864B44  595161404711160 0    711161 0      C-13-H3C(O)CH3
  510199.9629  0.0415 -5.1548 3 1016.2864B44  595161404711260 0    711061 0      C-13-H3C(O)CH3
  510199.9629  0.0415 -6.0104 3 1016.2864B44  595161404711160 0    711061 0      C-13-H3C(O)CH3
  510204.5450  0.0051 -4.0217 3  215.2655228 -5951614042820 9 3    2719 9 3      C-13-H3C(O)CH3
  510206.1145  0.0399 -5.9923 3  677.4462808  595161404502822 1    502525 1      C-13-H3C(O)CH3
  510239.0954  0.0036 -3.7690 3  215.2457228 -5951614042820 9 4    2719 9 4      C-13-H3C(O)CH3
  510274.8338  0.0032 -3.5050 3  215.2736456 -5951614042820 9 1    2719 9 1      C-13-H3C(O)CH3
  510274.9237  0.0539 -6.2912 3  954.5479904  595161404564710 1    5548 7 1      C-13-H3C(O)CH3
  510278.2689  0.1201 -6.5093 3 1709.4783692  595161404862661 4    862462 4      C-13-H3C(O)CH3
  510278.2689  0.1201 -6.5093 3 1709.4783692  595161404862561 4    862562 4      C-13-H3C(O)CH3
  510278.2898  0.1201 -6.5104 3 1709.4783692  595161404862561 3    862462 3      C-13-H3C(O)CH3
  510278.2898  0.1201 -6.5104 3 1709.4783692  595161404862661 3    862562 3      C-13-H3C(O)CH3
  510308.0125  0.0409 -5.9930 3  677.4551808  595161404502822 0    502525 0      C-13-H3C(O)CH3
  510314.1273  0.1365 -6.2502 3 1709.4568D84  595161404862661 1    862462 1      C-13-H3C(O)CH3
  510314.1273  0.1365 -6.2502 3 1709.4568D84  595161404862561 1    862562 1      C-13-H3C(O)CH3
  510320.9009  0.0036 -4.8675 3  400.8227340 -595161404421230 4    411329 4      C-13-H3C(O)CH3
  510320.9009  0.0036 -4.7859 3  400.8227340 -595161404421230 3    411329 3      C-13-H3C(O)CH3
  510320.9009  0.0036 -4.7859 3  400.8227340 -595161404421330 3    411229 3      C-13-H3C(O)CH3
  510320.9009  0.0036 -3.8392 3  400.8227340 -595161404421330 3    411329 3      C-13-H3C(O)CH3
  510320.9009  0.0036 -4.8675 3  400.8227340 -595161404421330 4    411229 4      C-13-H3C(O)CH3
  510320.9009  0.0036 -3.8309 3  400.8227340 -595161404421330 4    411329 4      C-13-H3C(O)CH3
  510320.9009  0.0036 -3.8392 3  400.8227340 -595161404421230 3    411229 3      C-13-H3C(O)CH3
  510320.9009  0.0036 -3.8309 3  400.8227340 -595161404421230 4    411229 4      C-13-H3C(O)CH3
  510320.9837  0.1366 -6.2242 3 1709.4600D84  595161404862561 2    862562 2      C-13-H3C(O)CH3
  510320.9837  0.1366 -6.2242 3 1709.4600D84  595161404862661 2    862462 2      C-13-H3C(O)CH3
  510329.6027  0.0486 -5.7619 3 1016.2639B44  595161404711260 2    711161 2      C-13-H3C(O)CH3
  510329.6027  0.0486 -5.7619 3 1016.2639B44  595161404711160 2    711061 2      C-13-H3C(O)CH3
  510329.6027  0.0486 -5.2039 3 1016.2639B44  595161404711260 2    711061 2      C-13-H3C(O)CH3
  510329.6027  0.0486 -5.2039 3 1016.2639B44  595161404711160 2    711161 2      C-13-H3C(O)CH3
  510329.9164  0.0493 -5.4066 3 1016.2641B44  595161404711160 1    711061 1      C-13-H3C(O)CH3
  510329.9164  0.0493 -5.3912 3 1016.2641B44  595161404711260 1    711061 1      C-13-H3C(O)CH3
  510329.9164  0.0493 -5.3912 3 1016.2641B44  595161404711160 1    711161 1      C-13-H3C(O)CH3
  510329.9164  0.0493 -5.4066 3 1016.2641B44  595161404711260 1    711161 1      C-13-H3C(O)CH3
  510333.6011  0.0112 -5.7376 3   89.2875296  5951614041816 2 2    1713 4 2      C-13-H3C(O)CH3
  510333.7721  0.0040 -5.4746 3  400.8515680 -595161404421330 1    411229 1      C-13-H3C(O)CH3
  510333.7721  0.0040 -5.4746 3  400.8515680 -595161404421230 1    411329 1      C-13-H3C(O)CH3
  510333.7721  0.0040 -3.4963 3  400.8515680 -595161404421330 1    411329 1      C-13-H3C(O)CH3
  510333.7721  0.0040 -3.4963 3  400.8515680 -595161404421230 1    411229 1      C-13-H3C(O)CH3
  510336.0622  0.0040 -3.4964 3  400.8504680 -595161404421330 2    411229 2      C-13-H3C(O)CH3
  510336.0622  0.0040 -5.4622 3  400.8504680 -595161404421230 2    411229 2      C-13-H3C(O)CH3
  510336.0622  0.0040 -5.4622 3  400.8504680 -595161404421330 2    411329 2      C-13-H3C(O)CH3
  510336.0622  0.0040 -3.4964 3  400.8504680 -595161404421230 2    411329 2      C-13-H3C(O)CH3
  510346.5977  0.0038 -3.5922 3  215.2857456 -5951614042820 9 2    2719 9 2      C-13-H3C(O)CH3
  510348.8329  0.0032 -4.3787 3  400.8791680 -595161404421330 0    411329 0      C-13-H3C(O)CH3
  510348.8329  0.0032 -3.5521 3  400.8791680 -595161404421330 0    411229 0      C-13-H3C(O)CH3
  510348.8329  0.0032 -3.5521 3  400.8791680 -595161404421230 0    411329 0      C-13-H3C(O)CH3
  510348.8329  0.0032 -4.3787 3  400.8791680 -595161404421230 0    411229 0      C-13-H3C(O)CH3
  510356.8261  0.1500 -6.2060 3 1709.4385D84  595161404862661 0    862462 0      C-13-H3C(O)CH3
  510356.8261  0.1500 -6.2060 3 1709.4385D84  595161404862561 0    862562 0      C-13-H3C(O)CH3
  510370.6607  0.0297 -5.2598 3  684.5659792  595161404493515 2    483613 2      C-13-H3C(O)CH3
  510377.2150  0.0027 -3.6471 3  440.4840404  59516140450 447 4    49 346 4      C-13-H3C(O)CH3
  510377.2150  0.0027 -3.6471 3  440.4840404  59516140450 347 4    49 446 4      C-13-H3C(O)CH3
  510377.2231  0.0027 -3.6468 3  440.4840404  59516140450 447 3    49 446 3      C-13-H3C(O)CH3
  510377.2231  0.0027 -3.6468 3  440.4840404  59516140450 347 3    49 346 3      C-13-H3C(O)CH3
  510409.1557  0.0037 -3.3551 3  440.4769808  59516140450 447 1    49 346 1      C-13-H3C(O)CH3
  510409.1557  0.0037 -5.0128 3  440.4769808  59516140450 347 1    49 346 1      C-13-H3C(O)CH3
  510409.2145  0.0036 -3.4672 3  440.4765808 -59516140450 347 2    49 346 2      C-13-H3C(O)CH3
  510409.2145  0.0037 -3.3551 3  440.4769808 -59516140450 347 1    49 446 1      C-13-H3C(O)CH3
  510409.2145  0.0037 -5.0128 3  440.4769808 -59516140450 447 1    49 446 1      C-13-H3C(O)CH3
  510409.2145  0.0036 -3.9580 3  440.4765808 -59516140450 447 2    49 346 2      C-13-H3C(O)CH3
  510409.2633  0.0036 -3.9580 3  440.4765808  59516140450 347 2    49 446 2      C-13-H3C(O)CH3
  510409.2633  0.0036 -3.4672 3  440.4765808  59516140450 447 2    49 446 2      C-13-H3C(O)CH3
  510420.4768  0.0288 -5.2601 3  684.5488792  595161404493515 0    483612 0      C-13-H3C(O)CH3
  510424.6004  0.0288 -5.2601 3  684.5488792  595161404493514 0    483613 0      C-13-H3C(O)CH3
  510432.6705  0.0619 -6.2918 3  954.5311904  595161404564710 2    5548 8 2      C-13-H3C(O)CH3
  510438.1265  0.0061 -4.6267 3   90.6736344  59516140421 615 2    20 516 2      C-13-H3C(O)CH3
  510438.1304  0.0061 -4.6267 3   90.6736344  59516140421 715 2    20 416 2      C-13-H3C(O)CH3
  510441.1088  0.0028 -4.5452 3  440.4694808 -59516140450 447 0    49 346 0      C-13-H3C(O)CH3
  510441.1088  0.0028 -4.5452 3  440.4694808 -59516140450 347 0    49 446 0      C-13-H3C(O)CH3
  510441.1316  0.0028 -3.3739 3  440.4694808  59516140450 347 0    49 346 0      C-13-H3C(O)CH3
  510441.1316  0.0028 -3.3739 3  440.4694808  59516140450 447 0    49 446 0      C-13-H3C(O)CH3
  510449.5992  0.0060 -4.6268 3   90.6743344  59516140421 615 1    20 516 1      C-13-H3C(O)CH3
  510449.6029  0.0060 -4.6268 3   90.6743344  59516140421 715 1    20 416 1      C-13-H3C(O)CH3
  510450.1509  0.0320 -5.5609 3  684.5669396  595161404493515 4    483613 4      C-13-H3C(O)CH3
  510459.6833  0.0515 -5.4400 3 1016.2415572  595161404711160 3    711161 3      C-13-H3C(O)CH3
  510459.6833  0.0515 -6.1067 3 1016.2415572  595161404711160 3    711061 3      C-13-H3C(O)CH3
  510459.6833  0.0515 -5.4931 3 1016.2415572  595161404711260 3    711061 3      C-13-H3C(O)CH3
  510459.6833  0.0515 -6.4393 3 1016.2415572  595161404711260 3    711161 3      C-13-H3C(O)CH3
  510459.8039  0.0515 -6.1608 3 1016.2414572  595161404711160 4    711061 4      C-13-H3C(O)CH3
  510459.8039  0.0515 -6.1608 3 1016.2414572  595161404711260 4    711161 4      C-13-H3C(O)CH3
  510459.8039  0.0515 -5.4809 3 1016.2414572  595161404711160 4    711161 4      C-13-H3C(O)CH3
  510459.8039  0.0515 -5.4809 3 1016.2414572  595161404711260 4    711061 4      C-13-H3C(O)CH3
  510469.6298  0.0414 -5.4503 3  648.2344792  595161404492822 0    482919 0      C-13-H3C(O)CH3
  510481.5968  0.0519 -6.2908 3  954.5203904  5951614045647 9 0    5548 7 0      C-13-H3C(O)CH3
  510481.5968  0.0519 -6.2908 3  954.5203904  595161404564710 0    5548 8 0      C-13-H3C(O)CH3
  510493.3025  0.0573 -6.2915 3  954.5446904  5951614045647 9 1    5548 8 1      C-13-H3C(O)CH3
  510501.5927  0.0304 -5.2601 3  684.5499792  595161404493515 1    483613 1      C-13-H3C(O)CH3
  510522.5393  0.0308 -5.5611 3  684.5917396  595161404493515 3    483612 3      C-13-H3C(O)CH3
  510575.6436  0.0296 -5.2602 3  684.5746792  595161404493514 1    483612 1      C-13-H3C(O)CH3
  510668.6566  0.0285 -5.2600 3  684.5869792  595161404493514 2    483612 2      C-13-H3C(O)CH3
  510692.8285  0.0332 -5.5136 3  973.5636B28  595161404701160 0    70 961 0      C-13-H3C(O)CH3
  510692.8285  0.0332 -5.2295 3  973.5636B28  595161404701160 0    701061 0      C-13-H3C(O)CH3
  510692.8285  0.0332 -5.2295 3  973.5636B28  595161404701060 0    70 961 0      C-13-H3C(O)CH3
  510692.8285  0.0332 -5.5136 3  973.5636B28  595161404701060 0    701061 0      C-13-H3C(O)CH3
  510705.7654  0.0189 -4.0645 3  215.2655228  5951614042820 8 3    2719 9 3      C-13-H3C(O)CH3
  510710.8384  0.0028 -3.4393 3  215.3079456 -5951614042820 8 0    2719 9 0      C-13-H3C(O)CH3
  510741.1844  0.0116 -5.7344 3   89.2474296  5951614041816 3 0    1713 4 0      C-13-H3C(O)CH3
  510746.8229  0.0285 -5.5611 3  684.5880396  595161404493514 3    483613 3      C-13-H3C(O)CH3
  510759.1658  0.0568 -6.2914 3  954.5380904  5951614045647 9 2    5548 7 2      C-13-H3C(O)CH3
  510795.9336  0.0094 -5.5708 3  100.2423164  5951614042013 7 3    191010 3      C-13-H3C(O)CH3
  510804.5422  0.0429 -5.6169 3  973.5366B28  595161404701060 2    70 961 2      C-13-H3C(O)CH3
  510804.5422  0.0429 -5.1746 3  973.5366B28  595161404701060 2    701061 2      C-13-H3C(O)CH3
  510804.5422  0.0429 -5.6426 3  973.5366B28  595161404701160 2    701061 2      C-13-H3C(O)CH3
  510804.5422  0.0429 -5.1837 3  973.5366B28  595161404701160 2    70 961 2      C-13-H3C(O)CH3
  510804.9567  0.0438 -5.0477 3  973.5368B28  595161404701060 1    70 961 1      C-13-H3C(O)CH3
  510804.9567  0.0438 -5.0477 3  973.5368B28  595161404701160 1    701061 1      C-13-H3C(O)CH3
  510821.5993  0.0337 -5.5611 3  684.6127396  595161404493514 4    483612 4      C-13-H3C(O)CH3
  510823.9098  0.0391 -5.4459 3  648.2129792  595161404492822 1    482919 1      C-13-H3C(O)CH3
  510831.4851  0.0058 -4.6257 3   90.6364344  59516140421 615 0    20 516 0      C-13-H3C(O)CH3
  510831.4890  0.0058 -4.6257 3   90.6364344  59516140421 715 0    20 416 0      C-13-H3C(O)CH3
  510888.2547  0.0077 -6.3853 3  231.0818504  595161404311219 2    31 922 2      C-13-H3C(O)CH3
  510888.2879  0.0077 -6.3853 3  231.0818504  595161404311319 2    311022 2      C-13-H3C(O)CH3
  510916.7063  0.0093 -5.5767 3  100.2423164  5951614042013 7 4    191010 4      C-13-H3C(O)CH3
  510916.7745  0.0465 -5.4364 3  973.5097564  595161404701060 3    701061 3      C-13-H3C(O)CH3
  510916.7745  0.0465 -6.0833 3  973.5097564  595161404701160 3    701061 3      C-13-H3C(O)CH3
  510916.7745  0.0465 -6.0833 3  973.5097564  595161404701060 3    70 961 3      C-13-H3C(O)CH3
  510916.7745  0.0465 -5.4364 3  973.5097564  595161404701160 3    70 961 3      C-13-H3C(O)CH3
  510916.8100  0.0465 -5.8831 3  973.5097564  595161404701160 4    70 961 4      C-13-H3C(O)CH3
  510916.8100  0.0465 -5.8831 3  973.5097564  595161404701060 4    701061 4      C-13-H3C(O)CH3
  510916.8100  0.0465 -5.4979 3  973.5097564  595161404701060 4    70 961 4      C-13-H3C(O)CH3
  510916.8100  0.0465 -5.4979 3  973.5097564  595161404701160 4    701061 4      C-13-H3C(O)CH3
  510917.0930  0.0078 -6.3838 3  231.0831504  595161404311219 1    31 922 1      C-13-H3C(O)CH3
  510917.1243  0.0078 -6.3838 3  231.0831504  595161404311319 1    311022 1      C-13-H3C(O)CH3
  510931.3605  0.0077 -5.2650 3  100.2200328  5951614042013 7 2    191010 2      C-13-H3C(O)CH3
  510978.7079  0.0115 -5.7342 3   89.2395296  5951614041816 2 0    1713 5 0      C-13-H3C(O)CH3
  510985.6051  0.0172 -3.9693 3  215.2857456  5951614042820 8 2    2719 9 2      C-13-H3C(O)CH3
  511019.2485  0.1153 -6.4160 3 1658.0965684  595161404852561 3    852362 3      C-13-H3C(O)CH3
  511019.2485  0.1153 -6.4426 3 1658.0966684  595161404852461 4    852362 4      C-13-H3C(O)CH3
  511019.2485  0.1153 -6.4160 3 1658.0965684  595161404852461 3    852462 3      C-13-H3C(O)CH3
  511019.2485  0.1153 -6.4426 3 1658.0966684  595161404852561 4    852462 4      C-13-H3C(O)CH3
  511036.1678  0.0074 -5.2687 3  100.2228328  5951614042013 7 1    191010 1      C-13-H3C(O)CH3
  511044.4701  0.1353 -6.3061 3 1658.0738D68  595161404852461 1    852462 1      C-13-H3C(O)CH3
  511044.4701  0.1353 -6.3061 3 1658.0738D68  595161404852561 1    852362 1      C-13-H3C(O)CH3
  511052.4194  0.1353 -6.3997 3 1658.0766D68  595161404852461 2    852362 2      C-13-H3C(O)CH3
  511052.4194  0.1353 -6.4317 3 1658.0766D68  595161404852461 2    852462 2      C-13-H3C(O)CH3
  511052.4194  0.1353 -6.3997 3 1658.0766D68  595161404852561 2    852462 2      C-13-H3C(O)CH3
  511052.4194  0.1353 -6.4317 3 1658.0766D68  595161404852561 2    852362 2      C-13-H3C(O)CH3
  511075.1981  0.0738 -5.4427 3  648.2018792  595161404492822 2    482919 2      C-13-H3C(O)CH3
  511077.6601  0.1424 -6.1401 3 1658.0539D68  595161404852461 0    852462 0      C-13-H3C(O)CH3
  511077.6601  0.1424 -6.1401 3 1658.0539D68  595161404852561 0    852362 0      C-13-H3C(O)CH3
  511081.5492  0.0847 -6.4536 3  620.0030380  595161404473216 3    463313 3      C-13-H3C(O)CH3
  511112.3917  0.0066 -5.2608 3  100.2005328  5951614042013 7 0    191010 0      C-13-H3C(O)CH3
  511122.0996  0.0366 -5.3442 3  619.9686380  595161404473216 4    463314 4      C-13-H3C(O)CH3
  511124.8674  0.0072 -6.3832 3  231.0922504  595161404311219 0    31 922 0      C-13-H3C(O)CH3
  511124.8989  0.0072 -6.3832 3  231.0922504  595161404311319 0    311022 0      C-13-H3C(O)CH3
  511148.1061  0.0327 -5.0449 3  619.9774760  595161404473216 2    463314 2      C-13-H3C(O)CH3
  511186.3853  0.0284 -5.5213 3  931.4217B12  59516140469 960 0    69 961 0      C-13-H3C(O)CH3
  511186.3853  0.0284 -5.1595 3  931.4217B12  59516140469 960 0    69 861 0      C-13-H3C(O)CH3
  511186.3853  0.0284 -5.5213 3  931.4217B12  595161404691060 0    69 861 0      C-13-H3C(O)CH3
  511186.3853  0.0284 -5.1595 3  931.4217B12  595161404691060 0    69 961 0      C-13-H3C(O)CH3
  511233.8831  0.0316 -5.3784 3  619.9979380  595161404473216 3    463314 3      C-13-H3C(O)CH3
  511268.2144  0.0441 -5.8477 3  931.3914B12  595161404691060 2    69 861 2      C-13-H3C(O)CH3
  511268.2144  0.0441 -5.0694 3  931.3914B12  595161404691060 2    69 961 2      C-13-H3C(O)CH3
  511268.2144  0.0441 -5.0694 3  931.3914B12  59516140469 960 2    69 861 2      C-13-H3C(O)CH3
  511268.2144  0.0441 -5.8477 3  931.3914B12  59516140469 960 2    69 961 2      C-13-H3C(O)CH3
  511268.4647  0.0449 -5.6267 3  931.3916B12  595161404691060 1    69 861 1      C-13-H3C(O)CH3
  511268.4647  0.0449 -5.1203 3  931.3916B12  59516140469 960 1    69 861 1      C-13-H3C(O)CH3
  511268.4647  0.0449 -5.4763 3  931.3916B12  595161404691060 1    69 961 1      C-13-H3C(O)CH3
  511268.4647  0.0449 -5.1802 3  931.3916B12  59516140469 960 1    69 961 1      C-13-H3C(O)CH3
  511268.6772  0.0084 -5.5626 3   68.9967164  59516140420 317 3    19 118 3      C-13-H3C(O)CH3
  511268.6772  0.0084 -5.5626 3   68.9967164  59516140420 417 3    19 218 3      C-13-H3C(O)CH3
  511269.1355  0.0101 -5.5607 3   68.9967164  59516140420 417 4    19 118 4      C-13-H3C(O)CH3
  511269.1355  0.0101 -5.5607 3   68.9967164  59516140420 317 4    19 218 4      C-13-H3C(O)CH3
  511298.4397  0.0293 -5.0425 3  619.9742760  595161404473216 0    463313 0      C-13-H3C(O)CH3
  511310.6017  0.0035 -3.8691 3  409.3114348 -595161404431132 4    421231 4      C-13-H3C(O)CH3
  511310.6017  0.0035 -3.7753 3  409.3114348 -595161404431132 3    421231 3      C-13-H3C(O)CH3
  511310.6017  0.0035 -3.7753 3  409.3114348 -595161404431232 3    421131 3      C-13-H3C(O)CH3
  511310.6017  0.0035 -4.4850 3  409.3114348 -595161404431232 4    421231 4      C-13-H3C(O)CH3
  511310.6080  0.0035 -4.4850 3  409.3114348  595161404431132 4    421131 4      C-13-H3C(O)CH3
  511310.6080  0.0035 -3.8691 3  409.3114348  595161404431232 4    421131 4      C-13-H3C(O)CH3
  511312.6651  0.0156 -4.3003 3  215.2736456  5951614042820 8 1    2719 9 1      C-13-H3C(O)CH3
  511325.8945  0.0040 -3.7729 3  409.3398696  595161404431132 1    421131 1      C-13-H3C(O)CH3
  511325.8945  0.0040 -3.7729 3  409.3398696  595161404431232 1    421231 1      C-13-H3C(O)CH3
  511325.9283  0.0040 -3.7771 3  409.3398696 -595161404431232 1    421131 1      C-13-H3C(O)CH3
  511325.9283  0.0040 -3.7771 3  409.3398696 -595161404431132 1    421231 1      C-13-H3C(O)CH3
  511327.6607  0.0040 -5.8355 3  409.3389696  595161404431232 2    421231 2      C-13-H3C(O)CH3
  511327.6607  0.0040 -3.4759 3  409.3389696  595161404431132 2    421231 2      C-13-H3C(O)CH3
  511327.7522  0.0040 -3.4759 3  409.3389696 -595161404431232 2    421131 2      C-13-H3C(O)CH3
  511327.7522  0.0040 -5.8355 3  409.3389696 -595161404431132 2    421131 2      C-13-H3C(O)CH3
  511342.7760  0.0032 -3.4751 3  409.3672696 -595161404431132 0    421231 0      C-13-H3C(O)CH3
  511342.7760  0.0032 -6.0885 3  409.3672696 -595161404431232 0    421231 0      C-13-H3C(O)CH3
  511342.8578  0.0032 -3.4741 3  409.3672696  595161404431232 0    421131 0      C-13-H3C(O)CH3
  511350.2872  0.0418 -5.6430 3  931.3612556  595161404691060 4    69 961 4      C-13-H3C(O)CH3
  511350.2872  0.0418 -5.5687 3  931.3612556  595161404691060 4    69 861 4      C-13-H3C(O)CH3
  511350.2872  0.0418 -5.6430 3  931.3612556  59516140469 960 4    69 861 4      C-13-H3C(O)CH3
  511350.2872  0.0418 -5.5687 3  931.3612556  59516140469 960 4    69 961 4      C-13-H3C(O)CH3
  511350.3659  0.0418 -5.3283 3  931.3613556  595161404691060 3    69 861 3      C-13-H3C(O)CH3
  511350.3659  0.0418 -5.3283 3  931.3613556  59516140469 960 3    69 961 3      C-13-H3C(O)CH3
  511365.0789  0.0306 -5.0472 3  619.9654760  595161404473216 1    463314 1      C-13-H3C(O)CH3
  511411.8540  0.0731 -5.7395 3  648.1809396  595161404492822 4    482919 4      C-13-H3C(O)CH3
  511421.1227  0.0618 -6.1312 3  684.5156792  595161404493514 0    493217 0      C-13-H3C(O)CH3
  511436.8758  0.0762 -5.7393 3  648.1801396  595161404492822 3    482919 3      C-13-H3C(O)CH3
  511472.2043  0.0043 -4.4887 3  128.6709188  595161404231112 3    221013 3      C-13-H3C(O)CH3
  511473.6768  0.0059 -4.4887 3  128.6709188  595161404231112 4    221013 4      C-13-H3C(O)CH3
  511492.5013  0.0238 -5.3782 3  620.0030380  595161404473215 3    463313 3      C-13-H3C(O)CH3
  511504.1439  0.0254 -5.0447 3  620.0117760  595161404473215 2    463313 2      C-13-H3C(O)CH3
  511505.4510  0.0029 -4.3925 3  444.0424412  59516140451 349 3    50 248 3      C-13-H3C(O)CH3
  511505.4510  0.0029 -3.7145 3  444.0424412  59516140451 249 3    50 248 3      C-13-H3C(O)CH3
  511505.4522  0.0029 -4.1221 3  444.0424412 -59516140451 249 4    50 348 4      C-13-H3C(O)CH3
  511505.4522  0.0029 -4.3925 3  444.0424412 -59516140451 249 3    50 348 3      C-13-H3C(O)CH3
  511505.4522  0.0029 -3.7145 3  444.0424412 -59516140451 349 3    50 348 3      C-13-H3C(O)CH3
  511505.4522  0.0029 -4.1221 3  444.0424412 -59516140451 349 4    50 248 4      C-13-H3C(O)CH3
  511505.4601  0.0029 -3.8013 3  444.0424412  59516140451 249 4    50 248 4      C-13-H3C(O)CH3
  511505.4601  0.0029 -3.8013 3  444.0424412  59516140451 349 4    50 348 4      C-13-H3C(O)CH3
  511517.0832  0.0295 -5.0421 3  619.9740760  595161404473215 0    463314 0      C-13-H3C(O)CH3
  511524.8620  0.0295 -5.0472 3  619.9947760  595161404473215 1    463313 1      C-13-H3C(O)CH3
  511532.9473  0.0037 -3.3424 3  444.0207824 -59516140451 349 2    50 248 2      C-13-H3C(O)CH3
  511532.9473  0.0038 -4.1682 3  444.0211824 -59516140451 349 1    50 348 1      C-13-H3C(O)CH3
  511532.9473  0.0037 -4.9035 3  444.0207824 -59516140451 349 2    50 348 2      C-13-H3C(O)CH3
  511532.9473  0.0038 -4.1682 3  444.0211824 -59516140451 249 1    50 248 1      C-13-H3C(O)CH3
  511532.9473  0.0038 -3.3988 3  444.0211824 -59516140451 249 1    50 348 1      C-13-H3C(O)CH3
  511532.9473  0.0038 -3.3988 3  444.0211824 -59516140451 349 1    50 248 1      C-13-H3C(O)CH3
  511532.9473  0.0037 -3.3424 3  444.0207824 -59516140451 249 2    50 348 2      C-13-H3C(O)CH3
  511532.9473  0.0037 -4.9035 3  444.0207824 -59516140451 249 2    50 248 2      C-13-H3C(O)CH3
  511560.3890  0.0029 -4.4322 3  443.9994824 -59516140451 349 0    50 348 0      C-13-H3C(O)CH3
  511560.3890  0.0029 -3.3663 3  443.9994824 -59516140451 249 0    50 348 0      C-13-H3C(O)CH3
  511560.4240  0.0029 -3.3663 3  443.9994824  59516140451 349 0    50 248 0      C-13-H3C(O)CH3
  511560.4240  0.0029 -4.4322 3  443.9994824  59516140451 249 0    50 248 0      C-13-H3C(O)CH3
  511605.8562  0.0243 -5.3440 3  620.0323380  595161404473215 4    463313 4      C-13-H3C(O)CH3
  511644.8352  0.0766 -6.4522 3  619.9979380  595161404473215 3    463314 3      C-13-H3C(O)CH3
  511648.7240  0.0042 -4.1872 3  128.6584376  595161404231112 2    221013 2      C-13-H3C(O)CH3
  511660.9653  0.0056 -3.7013 3  209.1745456 -595161404281810 2    271711 2      C-13-H3C(O)CH3
  511684.1626  0.0272 -4.9776 3  889.8608A96  59516140468 960 0    68 861 0      C-13-H3C(O)CH3
  511684.1626  0.0272 -6.4848 3  889.8608A96  59516140468 860 0    68 861 0      C-13-H3C(O)CH3
  511684.1626  0.0272 -4.9776 3  889.8608A96  59516140468 860 0    68 761 0      C-13-H3C(O)CH3
  511684.1626  0.0272 -6.4848 3  889.8608A96  59516140468 960 0    68 761 0      C-13-H3C(O)CH3
  511696.1164  0.0041 -4.1873 3  128.6607376  595161404231112 1    221013 1      C-13-H3C(O)CH3
  511702.8674  0.0467 -6.0905 3  910.1152888  595161404554511 1    5446 8 1      C-13-H3C(O)CH3
  511715.2538  0.0047 -3.7008 3  209.1879456 -595161404281810 0    271711 0      C-13-H3C(O)CH3
  511721.6635  0.0493 -5.4357 3  889.8292A96  59516140468 860 1    68 861 1      C-13-H3C(O)CH3
  511721.6635  0.0493 -5.1430 3  889.8292A96  59516140468 860 1    68 761 1      C-13-H3C(O)CH3
  511721.6635  0.0493 -5.4357 3  889.8292A96  59516140468 960 1    68 761 1      C-13-H3C(O)CH3
  511721.6635  0.0493 -5.1430 3  889.8292A96  59516140468 960 1    68 861 1      C-13-H3C(O)CH3
  511721.7989  0.0488 -5.1473 3  889.8290A96  59516140468 960 2    68 861 2      C-13-H3C(O)CH3
  511721.7989  0.0488 -4.9887 3  889.8290A96  59516140468 860 2    68 761 2      C-13-H3C(O)CH3
  511721.7989  0.0488 -6.2245 3  889.8290A96  59516140468 860 2    68 861 2      C-13-H3C(O)CH3
  511721.7989  0.0488 -5.4274 3  889.8290A96  59516140468 960 2    68 761 2      C-13-H3C(O)CH3
  511736.4147  0.0076 -4.0048 3  209.1642228 -595161404281810 3    271711 3      C-13-H3C(O)CH3
  511739.2252  0.1118 -6.3262 3 1607.2836676  595161404842461 3    842262 3      C-13-H3C(O)CH3
  511739.2252  0.1118 -6.3262 3 1607.2836676  595161404842361 3    842362 3      C-13-H3C(O)CH3
  511739.2483  0.1118 -6.3259 3 1607.2837676  595161404842461 4    842262 4      C-13-H3C(O)CH3
  511739.2483  0.1118 -6.3259 3 1607.2837676  595161404842361 4    842362 4      C-13-H3C(O)CH3
  511751.9554  0.1399 -6.0524 3 1607.2604D52  595161404842461 1    842362 1      C-13-H3C(O)CH3
  511751.9554  0.1399 -6.0524 3 1607.2604D52  595161404842361 1    842262 1      C-13-H3C(O)CH3
  511759.1103  0.0373 -5.3378 3  889.7973548  59516140468 860 4    68 761 4      C-13-H3C(O)CH3
  511759.1103  0.0373 -6.0768 3  889.7973548  59516140468 860 4    68 861 4      C-13-H3C(O)CH3
  511759.1103  0.0373 -6.0768 3  889.7973548  59516140468 960 4    68 761 4      C-13-H3C(O)CH3
  511759.1103  0.0373 -5.3378 3  889.7973548  59516140468 960 4    68 861 4      C-13-H3C(O)CH3
  511759.3285  0.0373 -6.3363 3  889.7973548  59516140468 960 3    68 861 3      C-13-H3C(O)CH3
  511759.3285  0.0373 -5.3035 3  889.7973548  59516140468 960 3    68 761 3      C-13-H3C(O)CH3
  511759.3285  0.0373 -5.3035 3  889.7973548  59516140468 860 3    68 861 3      C-13-H3C(O)CH3
  511759.3285  0.0373 -6.3363 3  889.7973548  59516140468 860 3    68 761 3      C-13-H3C(O)CH3
  511760.5693  0.1394 -6.0410 3 1607.2627D52  595161404842361 2    842362 2      C-13-H3C(O)CH3
  511760.5693  0.1394 -6.0410 3 1607.2627D52  595161404842461 2    842262 2      C-13-H3C(O)CH3
  511763.2930  0.0075 -4.0068 3  209.1635228  595161404281810 4    271711 4      C-13-H3C(O)CH3
  511771.2866  0.1559 -6.1730 3  905.0629936  595161404583227 0    573324 0      C-13-H3C(O)CH3
  511773.3335  0.1391 -6.1298 3 1607.2394D52  595161404842461 0    842262 0      C-13-H3C(O)CH3
  511773.3335  0.1391 -6.1298 3 1607.2394D52  595161404842361 0    842362 0      C-13-H3C(O)CH3
  511787.0397  0.0108 -5.3534 3   68.9347328  59516140420 417 2    19 218 2      C-13-H3C(O)CH3
  511787.0397  0.0108 -5.9581 3   68.9347328  59516140420 317 2    19 218 2      C-13-H3C(O)CH3
  511787.0397  0.0108 -5.3534 3   68.9347328  59516140420 317 2    19 118 2      C-13-H3C(O)CH3
  511787.0397  0.0108 -5.9581 3   68.9347328  59516140420 417 2    19 118 2      C-13-H3C(O)CH3
  511789.5771  0.0630 -6.3923 3  910.1283444  595161404554511 4    5446 9 4      C-13-H3C(O)CH3
  511790.5211  0.0109 -5.5825 3   68.9352328  59516140420 417 1    19 218 1      C-13-H3C(O)CH3
  511790.5211  0.0109 -5.5353 3   68.9352328  59516140420 417 1    19 118 1      C-13-H3C(O)CH3
  511790.5211  0.0109 -5.5353 3   68.9352328  59516140420 317 1    19 218 1      C-13-H3C(O)CH3
  511790.5211  0.0109 -5.5824 3   68.9352328  59516140420 317 1    19 118 1      C-13-H3C(O)CH3
  511796.9866  0.0057 -4.4884 3  128.6706188  595161404231212 4    22 913 4      C-13-H3C(O)CH3
  511797.1743  0.0042 -4.4884 3  128.6706188  595161404231212 3    22 913 3      C-13-H3C(O)CH3
  511801.9459  0.0056 -3.7043 3  209.1773456 -595161404281810 1    271711 1      C-13-H3C(O)CH3
  511825.3063  0.0408 -6.0900 3  910.0882888  595161404554510 0    5446 9 0      C-13-H3C(O)CH3
  511825.3063  0.0408 -6.0900 3  910.0882888  595161404554511 0    5446 8 0      C-13-H3C(O)CH3
  511854.9632  0.0264 -4.9631 3  215.2457228  5951614042820 8 4    2719 9 4      C-13-H3C(O)CH3
  511871.7306  0.0043 -4.1867 3  128.6483376  595161404231112 0    221013 0      C-13-H3C(O)CH3
  511910.7597  0.0502 -6.0908 3  910.1015888  595161404554511 2    5446 9 2      C-13-H3C(O)CH3
  511924.1856  0.0494 -6.0905 3  910.1091888  595161404554510 1    5446 9 1      C-13-H3C(O)CH3
  511981.2379  0.2223 -6.2870 3 1027.8761984  595161404613824 0    613527 0      C-13-H3C(O)CH3
  511983.6436  0.0041 -4.1869 3  128.6581376  595161404231212 2    22 913 2      C-13-H3C(O)CH3
  511987.4085  0.0674 -6.2717 3  684.5276792  595161404493514 1    493217 1      C-13-H3C(O)CH3
  512011.2957  0.0634 -6.3923 3  910.1222444  595161404554511 3    5446 9 3      C-13-H3C(O)CH3
  512020.9120  0.0585 -6.3918 3  910.1366444  595161404554510 3    5446 8 3      C-13-H3C(O)CH3
  512021.5036  0.0040 -4.1869 3  128.6604376  595161404231212 1    22 913 1      C-13-H3C(O)CH3
  512101.3512  0.0045 -6.4163 3  226.2339236  595161404291910 3    281810 3      C-13-H3C(O)CH3
  512101.9502  0.2588 -6.4934 3  887.9545460  595161404573324 3    573027 3      C-13-H3C(O)CH3
  512107.6343  0.2583 -6.4934 3  887.9545460  595161404573324 4    573027 4      C-13-H3C(O)CH3
  512112.8874  0.0034 -5.7664 3  226.2340236  595161404291910 4    281810 4      C-13-H3C(O)CH3
  512142.0265  0.0332 -6.2782 3  848.8191540  59516140467 760 4    67 761 4      C-13-H3C(O)CH3
  512142.0265  0.0332 -6.2782 3  848.8191540  59516140467 860 4    67 661 4      C-13-H3C(O)CH3
  512142.0265  0.0332 -5.2760 3  848.8191540  59516140467 760 4    67 661 4      C-13-H3C(O)CH3
  512142.0265  0.0332 -5.2760 3  848.8191540  59516140467 860 4    67 761 4      C-13-H3C(O)CH3
  512142.1318  0.0484 -6.0903 3  910.1097888  595161404554510 2    5446 8 2      C-13-H3C(O)CH3
  512142.3983  0.0331 -5.2351 3  848.8191540  59516140467 760 3    67 661 3      C-13-H3C(O)CH3
  512142.3983  0.0331 -5.2351 3  848.8191540  59516140467 860 3    67 761 3      C-13-H3C(O)CH3
  512165.8471  0.0529 -4.9836 3  848.8501A80  59516140467 760 1    67 761 1      C-13-H3C(O)CH3
  512165.8471  0.0529 -5.0644 3  848.8501A80  59516140467 860 1    67 761 1      C-13-H3C(O)CH3
  512165.8471  0.0529 -5.5192 3  848.8501A80  59516140467 860 1    67 661 1      C-13-H3C(O)CH3
  512165.8471  0.0529 -5.8989 3  848.8501A80  59516140467 760 1    67 661 1      C-13-H3C(O)CH3
  512166.5090  0.0527 -5.1645 3  848.8499A80  59516140467 760 2    67 661 2      C-13-H3C(O)CH3
  512166.5090  0.0527 -5.3188 3  848.8499A80  59516140467 760 2    67 761 2      C-13-H3C(O)CH3
  512166.5090  0.0527 -5.1645 3  848.8499A80  59516140467 860 2    67 761 2      C-13-H3C(O)CH3
  512166.5090  0.0527 -5.3188 3  848.8499A80  59516140467 860 2    67 661 2      C-13-H3C(O)CH3
  512178.5198  0.0038 -5.7374 3  226.2492472  595161404291910 1    281810 1      C-13-H3C(O)CH3
  512189.9261  0.0278 -5.0914 3  848.8809A80  59516140467 760 0    67 661 0      C-13-H3C(O)CH3
  512189.9261  0.0278 -5.4506 3  848.8809A80  59516140467 760 0    67 761 0      C-13-H3C(O)CH3
  512189.9261  0.0278 -5.0914 3  848.8809A80  59516140467 860 0    67 761 0      C-13-H3C(O)CH3
  512189.9261  0.0278 -5.4506 3  848.8809A80  59516140467 860 0    67 661 0      C-13-H3C(O)CH3
  512193.0192  0.0630 -6.2390 3  684.5361792  595161404493514 2    493217 2      C-13-H3C(O)CH3
  512207.6902  0.0042 -4.1864 3  128.6480376  595161404231212 0    22 913 0      C-13-H3C(O)CH3
  512223.1307  0.0786 -6.0877 3  827.7866888  595161404553323 0    553026 0      C-13-H3C(O)CH3
  512242.1381  0.0640 -6.3918 3  910.1305444  595161404554510 4    5446 8 4      C-13-H3C(O)CH3
  512276.5636  0.0720 -6.0873 3  827.7877888  595161404553323 2    553026 2      C-13-H3C(O)CH3
  512289.3307  0.0801 -6.0872 3  827.7880888  595161404553323 1    553026 1      C-13-H3C(O)CH3
  512307.6754  0.0105 -5.2727 3   68.8734328  59516140420 317 0    19 218 0      C-13-H3C(O)CH3
  512307.6754  0.0105 -5.2727 3   68.8734328  59516140420 417 0    19 118 0      C-13-H3C(O)CH3
  512332.0993  0.1822 -6.2876 3 1027.8858984  595161404613824 2    613527 2      C-13-H3C(O)CH3
  512334.7882  0.0035 -4.7322 3  417.2446356 -595161404441034 4    431133 4      C-13-H3C(O)CH3
  512334.7882  0.0034 -3.7633 3  417.2447356 -595161404441134 3    431033 3      C-13-H3C(O)CH3
  512334.7882  0.0034 -3.7633 3  417.2447356 -595161404441034 3    431133 3      C-13-H3C(O)CH3
  512334.7882  0.0035 -4.7322 3  417.2446356 -595161404441134 4    431033 4      C-13-H3C(O)CH3
  512334.8636  0.0035 -3.8073 3  417.2446356  595161404441134 4    431133 4      C-13-H3C(O)CH3
  512334.8636  0.0035 -3.8073 3  417.2446356  595161404441034 4    431033 4      C-13-H3C(O)CH3
  512334.9368  0.0034 -5.7156 3  417.2447356  595161404441134 3    431133 3      C-13-H3C(O)CH3
  512334.9368  0.0034 -5.7156 3  417.2447356  595161404441034 3    431033 3      C-13-H3C(O)CH3
  512338.0299  0.0715 -6.3879 3  827.7891444  595161404553323 4    553026 4      C-13-H3C(O)CH3
  512341.1520  0.1431 -6.1692 3  905.0499936  595161404583227 1    573324 1      C-13-H3C(O)CH3
  512352.9279  0.0041 -4.1109 3  417.2723712 -595161404441034 1    431133 1      C-13-H3C(O)CH3
  512352.9279  0.0041 -4.1109 3  417.2723712 -595161404441134 1    431033 1      C-13-H3C(O)CH3
  512352.9477  0.0041 -3.5666 3  417.2723712  595161404441134 1    431133 1      C-13-H3C(O)CH3
  512352.9477  0.0041 -3.5666 3  417.2723712  595161404441034 1    431033 1      C-13-H3C(O)CH3
  512353.6078  0.0700 -6.3879 3  827.7891444  595161404553323 3    553026 3      C-13-H3C(O)CH3
  512354.4652  0.0040 -3.4577 3  417.2715712 -595161404441034 2    431033 2      C-13-H3C(O)CH3
  512354.4652  0.0040 -3.4577 3  417.2715712 -595161404441134 2    431133 2      C-13-H3C(O)CH3
  512372.2514  0.0032 -4.3655 3  417.2992712 -595161404441034 0    431033 0      C-13-H3C(O)CH3
  512372.2514  0.0032 -3.5148 3  417.2992712 -595161404441134 0    431033 0      C-13-H3C(O)CH3
  512372.3131  0.0032 -4.3655 3  417.2992712  595161404441134 0    431133 0      C-13-H3C(O)CH3
  512372.3131  0.0032 -3.5148 3  417.2992712  595161404441034 0    431133 0      C-13-H3C(O)CH3
  512372.8488  0.2230 -6.1688 3  905.0496936  595161404583227 2    573324 2      C-13-H3C(O)CH3
  512395.7279  0.2002 -6.2878 3 1027.8841984  595161404613824 1    613527 1      C-13-H3C(O)CH3
  512429.7893  0.0296 -5.4855 3  752.9738824  595161404513814 0    503911 0      C-13-H3C(O)CH3
  512429.8407  0.0296 -5.4855 3  752.9738824  595161404513813 0    503912 0      C-13-H3C(O)CH3
  512437.2465  0.1468 -5.9371 3 1557.0174D36  595161404832261 1    832262 1      C-13-H3C(O)CH3
  512437.2465  0.1468 -5.9371 3 1557.0174D36  595161404832361 1    832162 1      C-13-H3C(O)CH3
  512438.7749  0.1091 -6.3785 3 1557.0405668  595161404832361 3    832162 3      C-13-H3C(O)CH3
  512438.7749  0.1091 -6.3785 3 1557.0405668  595161404832261 3    832262 3      C-13-H3C(O)CH3
  512438.8232  0.1091 -6.2834 3 1557.0406668  595161404832261 4    832262 4      C-13-H3C(O)CH3
  512438.8232  0.1091 -6.2834 3 1557.0406668  595161404832361 4    832162 4      C-13-H3C(O)CH3
  512444.6279  0.1383 -5.9373 3 1556.9961D36  595161404832361 0    832262 0      C-13-H3C(O)CH3
  512444.6279  0.1383 -5.9373 3 1556.9961D36  595161404832261 0    832162 0      C-13-H3C(O)CH3
  512446.1069  0.1458 -6.4163 3 1557.0192D36  595161404832361 2    832262 2      C-13-H3C(O)CH3
  512446.1069  0.1458 -6.1119 3 1557.0192D36  595161404832261 2    832262 2      C-13-H3C(O)CH3
  512446.1069  0.1458 -6.1119 3 1557.0192D36  595161404832361 2    832162 2      C-13-H3C(O)CH3
  512446.1069  0.1458 -6.4163 3 1557.0192D36  595161404832261 2    832162 2      C-13-H3C(O)CH3
  512497.6693  0.0299 -5.2150 3  808.4278532  59516140466 660 4    66 561 4      C-13-H3C(O)CH3
  512497.6693  0.0299 -5.2150 3  808.4278532  59516140466 760 4    66 661 4      C-13-H3C(O)CH3
  512498.1858  0.0297 -6.3256 3  808.4279532  59516140466 660 3    66 661 3      C-13-H3C(O)CH3
  512498.1858  0.0297 -5.2498 3  808.4279532  59516140466 660 3    66 561 3      C-13-H3C(O)CH3
  512498.1858  0.0297 -6.3256 3  808.4279532  59516140466 760 3    66 561 3      C-13-H3C(O)CH3
  512498.1858  0.0297 -5.2498 3  808.4279532  59516140466 760 3    66 661 3      C-13-H3C(O)CH3
  512498.2834  0.0614 -6.4857 3  684.5568396  595161404493514 4    493217 4      C-13-H3C(O)CH3
  512553.2415  0.0315 -5.4852 3  752.9991824  595161404513814 2    503912 2      C-13-H3C(O)CH3
  512561.5870  0.0326 -5.4857 3  753.0016824  595161404513813 1    503911 1      C-13-H3C(O)CH3
  512586.0331  0.0303 -5.4855 3  752.9833824  595161404513814 1    503912 1      C-13-H3C(O)CH3
  512602.3797  0.0532 -5.8647 3  808.4551A64  59516140466 660 1    66 661 1      C-13-H3C(O)CH3
  512602.3797  0.0532 -4.9651 3  808.4551A64  59516140466 660 1    66 561 1      C-13-H3C(O)CH3
  512602.3797  0.0532 -4.9651 3  808.4551A64  59516140466 760 1    66 661 1      C-13-H3C(O)CH3
  512602.3797  0.0532 -5.8647 3  808.4551A64  59516140466 760 1    66 561 1      C-13-H3C(O)CH3
  512603.5865  0.0530 -4.9219 3  808.4548A64  59516140466 660 2    66 561 2      C-13-H3C(O)CH3
  512603.5865  0.0530 -4.9219 3  808.4548A64  59516140466 760 2    66 661 2      C-13-H3C(O)CH3
  512637.2840  0.2674 -6.1929 3  887.9499920  595161404573324 2    573027 2      C-13-H3C(O)CH3
  512642.9696  0.0035 -3.6194 3  447.0665420 -59516140452 251 4    51 250 4      C-13-H3C(O)CH3
  512642.9696  0.0035 -3.6194 3  447.0665420 -59516140452 151 4    51 150 4      C-13-H3C(O)CH3
  512642.9756  0.0035 -3.6164 3  447.0664420  59516140452 251 3    51 250 3      C-13-H3C(O)CH3
  512642.9756  0.0035 -3.6164 3  447.0664420  59516140452 151 3    51 150 3      C-13-H3C(O)CH3
  512642.9904  0.0035 -5.7913 3  447.0665420  59516140452 251 4    51 150 4      C-13-H3C(O)CH3
  512642.9904  0.0035 -5.7913 3  447.0665420  59516140452 151 4    51 250 4      C-13-H3C(O)CH3
  512660.7102  0.1728 -6.1928 3  887.9494920  595161404573324 1    573027 1      C-13-H3C(O)CH3
  512661.7779  0.0046 -3.3275 3  447.0261840  59516140452 251 1    51 250 1      C-13-H3C(O)CH3
  512661.7779  0.0046 -3.3275 3  447.0261840  59516140452 151 1    51 150 1      C-13-H3C(O)CH3
  512661.8025  0.0042 -3.3233 3  447.0258840  59516140452 251 2    51 150 2      C-13-H3C(O)CH3
  512661.8025  0.0042 -5.0542 3  447.0258840  59516140452 151 2    51 150 2      C-13-H3C(O)CH3
  512661.8035  0.0046 -4.8718 3  447.0261840 -59516140452 251 1    51 150 1      C-13-H3C(O)CH3
  512661.8035  0.0046 -4.8718 3  447.0261840 -59516140452 151 1    51 250 1      C-13-H3C(O)CH3
  512661.8035  0.0042 -5.0542 3  447.0258840 -59516140452 251 2    51 250 2      C-13-H3C(O)CH3
  512661.8035  0.0042 -3.3233 3  447.0258840 -59516140452 151 2    51 250 2      C-13-H3C(O)CH3
  512680.5206  0.0035 -3.4701 3  446.9856840 -59516140452 151 0    51 250 0      C-13-H3C(O)CH3
  512680.5206  0.0035 -3.4409 3  446.9856840 -59516140452 251 0    51 150 0      C-13-H3C(O)CH3
  512680.5511  0.0035 -3.9151 3  446.9856840  59516140452 251 0    51 250 0      C-13-H3C(O)CH3
  512680.5511  0.0035 -3.8382 3  446.9856840  59516140452 151 0    51 150 0      C-13-H3C(O)CH3
  512684.3232  0.0386 -5.7864 3  753.0270412  595161404513813 3    503911 3      C-13-H3C(O)CH3
  512707.6609  0.0283 -4.9738 3  808.4820A64  59516140466 660 0    66 661 0      C-13-H3C(O)CH3
  512707.6609  0.0283 -5.7999 3  808.4820A64  59516140466 760 0    66 661 0      C-13-H3C(O)CH3
  512707.6609  0.0283 -4.9738 3  808.4820A64  59516140466 760 0    66 561 0      C-13-H3C(O)CH3
  512707.6609  0.0283 -5.7999 3  808.4820A64  59516140466 660 0    66 561 0      C-13-H3C(O)CH3
  512709.0772  0.0354 -5.7863 3  753.0085412  595161404513814 4    503912 4      C-13-H3C(O)CH3
  512732.3198  0.0329 -5.4856 3  753.0066824  595161404513813 2    503911 2      C-13-H3C(O)CH3
  512824.5769  0.0286 -5.2130 3  768.6248524  59516140465 660 4    65 561 4      C-13-H3C(O)CH3
  512824.5769  0.0286 -5.2130 3  768.6248524  59516140465 560 4    65 461 4      C-13-H3C(O)CH3
  512825.1884  0.0283 -5.3897 3  768.6248524  59516140465 560 3    65 461 3      C-13-H3C(O)CH3
  512825.1884  0.0283 -5.6743 3  768.6248524  59516140465 560 3    65 561 3      C-13-H3C(O)CH3
  512825.1884  0.0283 -5.3897 3  768.6248524  59516140465 660 3    65 561 3      C-13-H3C(O)CH3
  512825.1884  0.0283 -5.6743 3  768.6248524  59516140465 660 3    65 461 3      C-13-H3C(O)CH3
  512865.2274  0.0440 -5.7868 3  753.0344412  595161404513813 4    503911 4      C-13-H3C(O)CH3
  512888.2032  0.0376 -5.7866 3  753.0161412  595161404513814 3    503912 3      C-13-H3C(O)CH3
  512944.7777  0.2092 -6.4660 3  905.0365468  595161404583227 4    573324 4      C-13-H3C(O)CH3
  512950.6917  0.2101 -6.4660 3  905.0363468  595161404583227 3    573324 3      C-13-H3C(O)CH3
  513032.6925  0.0492 -4.9172 3  768.6445A48  59516140465 660 1    65 561 1      C-13-H3C(O)CH3
  513032.6925  0.0492 -6.5309 3  768.6445A48  59516140465 560 1    65 561 1      C-13-H3C(O)CH3
  513032.6925  0.0492 -4.9172 3  768.6445A48  59516140465 560 1    65 461 1      C-13-H3C(O)CH3
  513032.6925  0.0492 -6.5309 3  768.6445A48  59516140465 660 1    65 461 1      C-13-H3C(O)CH3
  513034.2955  0.0485 -4.9140 3  768.6442A48  59516140465 660 2    65 461 2      C-13-H3C(O)CH3
  513034.2955  0.0485 -4.9140 3  768.6442A48  59516140465 560 2    65 561 2      C-13-H3C(O)CH3
  513092.4213  0.1380 -5.8553 3 1507.3250D20  595161404822161 0    822062 0      C-13-H3C(O)CH3
  513092.4213  0.1380 -5.8553 3 1507.3250D20  595161404822261 0    822162 0      C-13-H3C(O)CH3
  513101.0060  0.1530 -5.9134 3 1507.3458D20  595161404822161 1    822162 1      C-13-H3C(O)CH3
  513101.0060  0.1530 -5.9134 3 1507.3458D20  595161404822261 1    822062 1      C-13-H3C(O)CH3
  513107.0169  0.0075 -6.4835 3  212.4108488  595161404301119 2    30 822 2      C-13-H3C(O)CH3
  513107.0254  0.0075 -6.4835 3  212.4108488  595161404301219 2    30 922 2      C-13-H3C(O)CH3
  513109.7218  0.1519 -6.0344 3 1507.3473D20  595161404822261 2    822162 2      C-13-H3C(O)CH3
  513109.7218  0.1519 -6.3145 3 1507.3473D20  595161404822161 2    822162 2      C-13-H3C(O)CH3
  513109.7218  0.1519 -6.0344 3 1507.3473D20  595161404822161 2    822062 2      C-13-H3C(O)CH3
  513109.7218  0.1519 -6.3145 3 1507.3473D20  595161404822261 2    822062 2      C-13-H3C(O)CH3
  513118.3720  0.1064 -6.1961 3 1507.3681660  595161404822261 3    822062 3      C-13-H3C(O)CH3
  513118.3720  0.1064 -6.1961 3 1507.3681660  595161404822161 3    822162 3      C-13-H3C(O)CH3
  513118.4471  0.1064 -6.1962 3 1507.3682660  595161404822261 4    822062 4      C-13-H3C(O)CH3
  513118.4471  0.1064 -6.1962 3 1507.3682660  595161404822161 4    822162 4      C-13-H3C(O)CH3
  513121.2169  0.0315 -5.3402 3  729.4113516  59516140464 460 4    64 361 4      C-13-H3C(O)CH3
  513121.2169  0.0315 -5.8383 3  729.4113516  59516140464 460 4    64 461 4      C-13-H3C(O)CH3
  513121.2169  0.0315 -5.3402 3  729.4113516  59516140464 560 4    64 461 4      C-13-H3C(O)CH3
  513121.2169  0.0315 -5.8383 3  729.4113516  59516140464 560 4    64 361 4      C-13-H3C(O)CH3
  513121.8081  0.0310 -5.7870 3  729.4113516  59516140464 560 3    64 361 3      C-13-H3C(O)CH3
  513121.8081  0.0310 -5.3578 3  729.4113516  59516140464 560 3    64 461 3      C-13-H3C(O)CH3
  513121.8081  0.0310 -5.3578 3  729.4113516  59516140464 460 3    64 361 3      C-13-H3C(O)CH3
  513121.8081  0.0310 -5.7870 3  729.4113516  59516140464 460 3    64 461 3      C-13-H3C(O)CH3
  513133.0420  0.0076 -6.4819 3  212.4120488  595161404301119 1    30 822 1      C-13-H3C(O)CH3
  513133.0500  0.0076 -6.4819 3  212.4120488  595161404301219 1    30 922 1      C-13-H3C(O)CH3
  513188.7025  0.1802 -6.1934 3  887.9448920  595161404573324 0    573027 0      C-13-H3C(O)CH3
  513241.5457  0.0278 -5.4937 3  768.6638A48  59516140465 660 0    65 561 0      C-13-H3C(O)CH3
  513241.5457  0.0278 -5.4937 3  768.6638A48  59516140465 560 0    65 461 0      C-13-H3C(O)CH3
  513241.5457  0.0278 -5.0362 3  768.6638A48  59516140465 660 0    65 461 0      C-13-H3C(O)CH3
  513241.5457  0.0278 -5.0362 3  768.6638A48  59516140465 560 0    65 561 0      C-13-H3C(O)CH3
  513383.8832  0.0033 -3.7430 3  424.6270364 -59516140445 936 4    441035 4      C-13-H3C(O)CH3
  513383.8832  0.0033 -4.2750 3  424.6270364 -59516140445 936 3    441035 3      C-13-H3C(O)CH3
  513383.8832  0.0033 -5.3124 3  424.6270364 -595161404451036 3    44 935 3      C-13-H3C(O)CH3
  513383.8910  0.0033 -4.2697 3  424.6270364  59516140445 936 4    44 935 4      C-13-H3C(O)CH3
  513383.8910  0.0033 -3.8962 3  424.6270364  595161404451036 4    44 935 4      C-13-H3C(O)CH3
  513383.9629  0.0033 -3.8940 3  424.6270364  595161404451036 3    441035 3      C-13-H3C(O)CH3
  513383.9629  0.0033 -3.7548 3  424.6270364  59516140445 936 3    44 935 3      C-13-H3C(O)CH3
  513386.0168  0.0403 -5.2761 3  690.7886508  59516140463 460 4    63 361 4      C-13-H3C(O)CH3
  513386.0168  0.0403 -5.2761 3  690.7886508  59516140463 360 4    63 261 4      C-13-H3C(O)CH3
  513386.3728  0.0397 -5.2839 3  690.7886508  59516140463 460 3    63 361 3      C-13-H3C(O)CH3
  513386.3728  0.0397 -5.2839 3  690.7886508  59516140463 360 3    63 261 3      C-13-H3C(O)CH3
  513400.1531  0.0072 -6.4811 3  212.4155488  595161404301119 0    30 822 0      C-13-H3C(O)CH3
  513400.1611  0.0072 -6.4811 3  212.4155488  595161404301219 0    30 922 0      C-13-H3C(O)CH3
  513400.6546  0.0178 -6.4923 3  394.3484616  595161404382414 0    381919 0      C-13-H3C(O)CH3
  513405.0344  0.0041 -3.5355 3  424.6535728  595161404451036 1    441035 1      C-13-H3C(O)CH3
  513405.0344  0.0041 -3.5355 3  424.6535728  59516140445 936 1    44 935 1      C-13-H3C(O)CH3
  513405.0700  0.0041 -4.1548 3  424.6535728 -595161404451036 1    44 935 1      C-13-H3C(O)CH3
  513405.0700  0.0041 -4.1548 3  424.6535728 -59516140445 936 1    441035 1      C-13-H3C(O)CH3
  513406.1089  0.0040 -3.9136 3  424.6528728  595161404451036 2    44 935 2      C-13-H3C(O)CH3
  513406.1089  0.0040 -3.9136 3  424.6528728  59516140445 936 2    441035 2      C-13-H3C(O)CH3
  513406.1170  0.0040 -3.6208 3  424.6528728 -59516140445 936 2    44 935 2      C-13-H3C(O)CH3
  513406.1170  0.0040 -3.6208 3  424.6528728 -595161404451036 2    441035 2      C-13-H3C(O)CH3
  513427.1412  0.0031 -3.5269 3  424.6793728 -595161404451036 0    44 935 0      C-13-H3C(O)CH3
  513427.1412  0.0031 -3.5269 3  424.6793728 -59516140445 936 0    441035 0      C-13-H3C(O)CH3
  513427.1412  0.0031 -4.1928 3  424.6793728 -595161404451036 0    441035 0      C-13-H3C(O)CH3
  513427.1412  0.0031 -4.1928 3  424.6793728 -59516140445 936 0    44 935 0      C-13-H3C(O)CH3
  513458.2802  0.0436 -4.9552 3  729.4189A32  59516140464 560 1    64 361 1      C-13-H3C(O)CH3
  513458.2802  0.0436 -6.0131 3  729.4189A32  59516140464 560 1    64 461 1      C-13-H3C(O)CH3
  513458.2802  0.0436 -4.9552 3  729.4189A32  59516140464 460 1    64 461 1      C-13-H3C(O)CH3
  513458.2802  0.0436 -6.0131 3  729.4189A32  59516140464 460 1    64 361 1      C-13-H3C(O)CH3
  513459.9139  0.0412 -5.1670 3  729.4186A32  59516140464 560 2    64 361 2      C-13-H3C(O)CH3
  513459.9139  0.0412 -5.2796 3  729.4186A32  59516140464 560 2    64 461 2      C-13-H3C(O)CH3
  513459.9139  0.0412 -5.1670 3  729.4186A32  59516140464 460 2    64 461 2      C-13-H3C(O)CH3
  513459.9139  0.0412 -5.2796 3  729.4186A32  59516140464 460 2    64 361 2      C-13-H3C(O)CH3
  513480.5327  0.0196 -6.4922 3  394.3198616  595161404382414 2    381919 2      C-13-H3C(O)CH3
  513521.3051  0.0258 -6.2887 3  490.0881680  595161404422814 0    422319 0      C-13-H3C(O)CH3
  513577.6756  0.0186 -6.4925 3  394.3241616  595161404382414 1    381919 1      C-13-H3C(O)CH3
  513617.1627  0.0552 -5.3567 3  652.7581500  59516140462 260 3    62 261 3      C-13-H3C(O)CH3
  513617.1627  0.0552 -5.3567 3  652.7581500  59516140462 360 3    62 161 3      C-13-H3C(O)CH3
  513617.4028  0.0559 -5.5220 3  652.7581500  59516140462 360 4    62 161 4      C-13-H3C(O)CH3
  513617.4028  0.0559 -5.8534 3  652.7581500  59516140462 260 4    62 161 4      C-13-H3C(O)CH3
  513617.4028  0.0559 -5.5220 3  652.7581500  59516140462 260 4    62 261 4      C-13-H3C(O)CH3
  513617.4028  0.0559 -5.8534 3  652.7581500  59516140462 360 4    62 261 4      C-13-H3C(O)CH3
  513670.0955  0.0431 -5.9011 3  867.0019872  595161404544311 1    5344 9 1      C-13-H3C(O)CH3
  513683.5569  0.2634 -6.3333 3 1064.1759A00  595161404623924 0    623627 0      C-13-H3C(O)CH3
  513699.7274  0.0366 -5.9006 3  866.9750872  595161404544311 0    534410 0      C-13-H3C(O)CH3
  513699.7274  0.0366 -5.9006 3  866.9750872  595161404544312 0    5344 9 0      C-13-H3C(O)CH3
  513717.7067  0.1368 -5.7783 3 1458.2272D04  595161404812061 0    811962 0      C-13-H3C(O)CH3
  513717.7067  0.1368 -5.7783 3 1458.2272D04  595161404812161 0    812062 0      C-13-H3C(O)CH3
  513743.9021  0.1568 -5.7721 3 1458.2468D04  595161404812161 1    811962 1      C-13-H3C(O)CH3
  513743.9021  0.1568 -5.7721 3 1458.2468D04  595161404812061 1    812062 1      C-13-H3C(O)CH3
  513752.1245  0.1557 -6.1460 3 1458.2478D04  595161404812061 2    811962 2      C-13-H3C(O)CH3
  513752.1245  0.1557 -6.0031 3 1458.2478D04  595161404812161 2    811962 2      C-13-H3C(O)CH3
  513752.1245  0.1557 -6.1460 3 1458.2478D04  595161404812161 2    812062 2      C-13-H3C(O)CH3
  513752.1245  0.1557 -6.0031 3 1458.2478D04  595161404812061 2    812062 2      C-13-H3C(O)CH3
  513778.4020  0.1035 -6.0774 3 1458.2675652  595161404812061 3    812062 3      C-13-H3C(O)CH3
  513778.4020  0.1035 -6.0774 3 1458.2675652  595161404812161 3    811962 3      C-13-H3C(O)CH3
  513778.5050  0.1035 -6.1431 3 1458.2675652  595161404812061 4    811962 4      C-13-H3C(O)CH3
  513778.5050  0.1035 -6.1431 3 1458.2675652  595161404812161 4    812062 4      C-13-H3C(O)CH3
  513790.7807  0.0054 -3.8400 3  449.5579428  59516140453 153 4    52 152 4      C-13-H3C(O)CH3
  513790.7807  0.0054 -3.8400 3  449.5579428  59516140453 053 4    52 052 4      C-13-H3C(O)CH3
  513790.7924  0.0054 -6.2150 3  449.5579428  59516140453 153 3    52 152 3      C-13-H3C(O)CH3
  513790.8296  0.0054 -3.6009 3  449.5579428 -59516140453 153 3    52 052 3      C-13-H3C(O)CH3
  513790.8296  0.0054 -3.9741 3  449.5579428 -59516140453 053 4    52 152 4      C-13-H3C(O)CH3
  513790.8296  0.0054 -3.6019 3  449.5579428 -59516140453 053 3    52 152 3      C-13-H3C(O)CH3
  513790.8296  0.0054 -3.9741 3  449.5579428 -59516140453 153 4    52 052 4      C-13-H3C(O)CH3
  513794.8881  0.0081 -4.4512 3  449.4924856 -59516140453 053 1    52 152 1      C-13-H3C(O)CH3
  513794.8881  0.0075 -5.8512 3  449.4921856 -59516140453 153 2    52 052 2      C-13-H3C(O)CH3
  513794.8881  0.0081 -3.3315 3  449.4924856 -59516140453 053 1    52 052 1      C-13-H3C(O)CH3
  513794.8881  0.0081 -4.4512 3  449.4924856 -59516140453 153 1    52 052 1      C-13-H3C(O)CH3
  513794.8881  0.0075 -3.3009 3  449.4921856 -59516140453 053 2    52 052 2      C-13-H3C(O)CH3
  513794.8881  0.0081 -3.3315 3  449.4924856 -59516140453 153 1    52 152 1      C-13-H3C(O)CH3
  513794.8881  0.0075 -5.8512 3  449.4921856 -59516140453 053 2    52 152 2      C-13-H3C(O)CH3
  513794.8881  0.0075 -3.3009 3  449.4921856 -59516140453 153 2    52 152 2      C-13-H3C(O)CH3
  513795.9193  0.0282 -4.9209 3  729.4262A32  59516140464 560 0    64 461 0      C-13-H3C(O)CH3
  513795.9193  0.0282 -4.9209 3  729.4262A32  59516140464 460 0    64 361 0      C-13-H3C(O)CH3
  513798.9400  0.0060 -4.3601 3  449.4267856  59516140453 053 0    52 152 0      C-13-H3C(O)CH3
  513798.9400  0.0060 -4.3601 3  449.4267856  59516140453 153 0    52 052 0      C-13-H3C(O)CH3
  513798.9566  0.0060 -3.3391 3  449.4267856 -59516140453 153 0    52 152 0      C-13-H3C(O)CH3
  513798.9566  0.0060 -3.3391 3  449.4267856 -59516140453 053 0    52 052 0      C-13-H3C(O)CH3
  513812.4422  0.0782 -6.0063 3  615.3212492  59516140461 160 3    61 161 3      C-13-H3C(O)CH3
  513812.4422  0.0782 -5.7773 3  615.3212492  59516140461 260 3    61 161 3      C-13-H3C(O)CH3
  513812.4422  0.0782 -6.0063 3  615.3212492  59516140461 260 3    61 061 3      C-13-H3C(O)CH3
  513812.4422  0.0782 -5.7773 3  615.3212492  59516140461 160 3    61 061 3      C-13-H3C(O)CH3
  513813.8460  0.0787 -6.0694 3  615.3211492  59516140461 160 4    61 161 4      C-13-H3C(O)CH3
  513813.8460  0.0787 -5.7440 3  615.3211492  59516140461 260 4    61 161 4      C-13-H3C(O)CH3
  513813.8460  0.0787 -6.0694 3  615.3211492  59516140461 260 4    61 061 4      C-13-H3C(O)CH3
  513813.8460  0.0787 -5.7440 3  615.3211492  59516140461 160 4    61 061 4      C-13-H3C(O)CH3
  513838.1233  0.1841 -6.2496 3  992.1014968  595161404603724 0    603427 0      C-13-H3C(O)CH3
  513857.7169  0.0435 -5.9010 3  866.9933872  595161404544312 1    534410 1      C-13-H3C(O)CH3
  513858.2105  0.0587 -6.2706 3  684.4380792  595161404493515 1    493218 1      C-13-H3C(O)CH3
  513860.5564  0.0598 -6.1278 3  684.4341792  595161404493515 0    493218 0      C-13-H3C(O)CH3
  513868.1945  0.0549 -6.2026 3  867.0197436  595161404544312 4    5344 9 4      C-13-H3C(O)CH3
  513880.6943  0.0477 -5.4258 3  690.7788A16  59516140463 460 1    63 361 1      C-13-H3C(O)CH3
  513880.6943  0.0477 -5.1417 3  690.7788A16  59516140463 460 1    63 261 1      C-13-H3C(O)CH3
  513880.6943  0.0477 -5.1417 3  690.7788A16  59516140463 360 1    63 361 1      C-13-H3C(O)CH3
  513880.6943  0.0477 -5.4258 3  690.7788A16  59516140463 360 1    63 261 1      C-13-H3C(O)CH3
  513881.7252  0.0430 -6.0460 3  690.7784A16  59516140463 460 2    63 261 2      C-13-H3C(O)CH3
  513881.7252  0.0430 -4.9969 3  690.7784A16  59516140463 460 2    63 361 2      C-13-H3C(O)CH3
  513881.7252  0.0430 -6.0460 3  690.7784A16  59516140463 360 2    63 361 2      C-13-H3C(O)CH3
  513881.7252  0.0430 -4.9969 3  690.7784A16  59516140463 360 2    63 261 2      C-13-H3C(O)CH3
  513896.0320  0.0425 -5.9012 3  866.9930872  595161404544312 2    534410 2      C-13-H3C(O)CH3
  513918.9996  0.0697 -5.5807 3  559.3856364  595161404452917 4    443014 4      C-13-H3C(O)CH3
  513940.7522  0.0298 -6.3213 3  490.0668680  595161404422814 1    422319 1      C-13-H3C(O)CH3
  513977.9745  0.0537 -6.2021 3  867.0272436  595161404544311 3    5344 9 3      C-13-H3C(O)CH3
  514006.6535  0.0431 -5.9006 3  867.0003872  595161404544311 2    5344 9 2      C-13-H3C(O)CH3
  514026.5417  0.0273 -6.3682 3  469.5447664  595161404412813 0    412318 0      C-13-H3C(O)CH3
  514055.4231  0.0548 -6.2026 3  867.0112436  595161404544312 3    534410 3      C-13-H3C(O)CH3
  514065.5378  0.0054 -3.4529 3  210.8960212  5951614042625 1 4    2524 1 4      C-13-H3C(O)CH3
  514084.8287  0.1377 -6.2499 3  992.1103968  595161404603724 2    603427 2      C-13-H3C(O)CH3
  514127.0363  0.1705 -6.2499 3  992.1089968  595161404603724 1    603427 1      C-13-H3C(O)CH3
  514131.9331  0.2413 -6.3346 3 1064.1864A00  595161404623924 2    623627 2      C-13-H3C(O)CH3
  514143.3098  0.0655 -6.2390 3  684.4401792  595161404493515 2    493218 2      C-13-H3C(O)CH3
  514165.1127  0.0567 -6.2020 3  867.0186436  595161404544311 4    534410 4      C-13-H3C(O)CH3
  514221.5552  0.2322 -6.3350 3 1064.1846A00  595161404623924 1    623627 1      C-13-H3C(O)CH3
  514245.9304  0.0045 -3.1516 3  210.9523424 -5951614042625 1 2    2524 1 2      C-13-H3C(O)CH3
  514258.4398  0.0047 -3.1516 3  210.9336424 -5951614042625 1 1    2524 1 1      C-13-H3C(O)CH3
  514292.2971  0.0052 -3.4525 3  210.8594212  5951614042625 2 3    2524 2 3      C-13-H3C(O)CH3
  514301.0081  0.0703 -5.3488 3  652.7243A00  59516140462 260 2    62 261 2      C-13-H3C(O)CH3
  514301.0081  0.0703 -5.3488 3  652.7243A00  59516140462 360 2    62 161 2      C-13-H3C(O)CH3
  514301.0081  0.0703 -5.3598 3  652.7243A00  59516140462 260 2    62 161 2      C-13-H3C(O)CH3
  514301.0081  0.0703 -5.3598 3  652.7243A00  59516140462 360 2    62 261 2      C-13-H3C(O)CH3
  514301.5359  0.0753 -5.4391 3  652.7247A00  59516140462 360 1    62 261 1      C-13-H3C(O)CH3
  514301.5359  0.0753 -5.2835 3  652.7247A00  59516140462 360 1    62 161 1      C-13-H3C(O)CH3
  514301.5359  0.0753 -5.4391 3  652.7247A00  59516140462 260 1    62 161 1      C-13-H3C(O)CH3
  514301.5359  0.0753 -5.2835 3  652.7247A00  59516140462 260 1    62 261 1      C-13-H3C(O)CH3
  514321.6110  0.1337 -5.7851 3 1409.7037C88  595161404801961 0    801962 0      C-13-H3C(O)CH3
  514321.6110  0.1337 -5.7010 3 1409.7037C88  595161404801961 0    801862 0      C-13-H3C(O)CH3
  514321.6110  0.1337 -6.3789 3 1409.7037C88  595161404802061 0    801962 0      C-13-H3C(O)CH3
  514349.7797  0.0052 -3.4524 3  210.8755212  5951614042625 1 3    2524 1 3      C-13-H3C(O)CH3
  514366.6151  0.1571 -5.9472 3 1409.7212C88  595161404802061 1    801962 1      C-13-H3C(O)CH3
  514366.6151  0.1571 -6.0319 3 1409.7212C88  595161404802061 1    801862 1      C-13-H3C(O)CH3
  514366.6151  0.1571 -5.9472 3 1409.7212C88  595161404801961 1    801862 1      C-13-H3C(O)CH3
  514366.6151  0.1571 -6.0319 3 1409.7212C88  595161404801961 1    801962 1      C-13-H3C(O)CH3
  514374.0512  0.1561 -5.8477 3 1409.7219C88  595161404802061 2    801962 2      C-13-H3C(O)CH3
  514374.0512  0.1561 -6.1948 3 1409.7219C88  595161404801961 2    801962 2      C-13-H3C(O)CH3
  514374.0512  0.1561 -6.1948 3 1409.7219C88  595161404802061 2    801862 2      C-13-H3C(O)CH3
  514374.0512  0.1561 -5.8477 3 1409.7219C88  595161404801961 2    801862 2      C-13-H3C(O)CH3
  514375.2371  0.0364 -6.2610 3  690.7687A16  59516140463 460 0    63 361 0      C-13-H3C(O)CH3
  514375.2371  0.0364 -4.9810 3  690.7687A16  59516140463 360 0    63 361 0      C-13-H3C(O)CH3
  514375.2371  0.0364 -4.9810 3  690.7687A16  59516140463 460 0    63 261 0      C-13-H3C(O)CH3
  514375.2371  0.0364 -6.2610 3  690.7687A16  59516140463 360 0    63 261 0      C-13-H3C(O)CH3
  514397.9110  0.0805 -6.4873 3  684.4352396  595161404493515 4    493218 4      C-13-H3C(O)CH3
  514419.1540  0.1000 -5.9874 3 1409.7395644  595161404801961 3    801962 3      C-13-H3C(O)CH3
  514419.1540  0.1000 -5.9874 3 1409.7395644  595161404802061 3    801862 3      C-13-H3C(O)CH3
  514419.2854  0.1000 -6.0063 3 1409.7395644  595161404802061 4    801862 4      C-13-H3C(O)CH3
  514419.2854  0.1000 -6.0063 3 1409.7395644  595161404801961 4    801962 4      C-13-H3C(O)CH3
  514439.3770  0.0043 -3.1513 3  210.9899424 -5951614042625 1 0    2524 2 0      C-13-H3C(O)CH3
  514439.3770  0.0043 -3.1513 3  210.9899424 -5951614042625 2 0    2524 1 0      C-13-H3C(O)CH3
  514451.3969  0.0032 -3.7826 3  431.4620372  59516140446 938 4    45 937 4      C-13-H3C(O)CH3
  514451.3969  0.0032 -3.7826 3  431.4620372  59516140446 838 4    45 837 4      C-13-H3C(O)CH3
  514451.4310  0.0032 -4.6565 3  431.4620372 -59516140446 838 4    45 937 4      C-13-H3C(O)CH3
  514451.4310  0.0032 -4.6565 3  431.4620372 -59516140446 938 4    45 837 4      C-13-H3C(O)CH3
  514451.4310  0.0032 -4.1034 3  431.4620372 -59516140446 838 3    45 837 3      C-13-H3C(O)CH3
  514451.4310  0.0032 -3.9657 3  431.4620372 -59516140446 938 3    45 837 3      C-13-H3C(O)CH3
  514451.4661  0.0032 -3.9657 3  431.4620372  59516140446 838 3    45 937 3      C-13-H3C(O)CH3
  514451.4661  0.0032 -4.1034 3  431.4620372  59516140446 938 3    45 937 3      C-13-H3C(O)CH3
  514457.9441  0.0100 -6.0079 3  395.3494632  595161404391920 0    391623 0      C-13-H3C(O)CH3
  514472.5697  0.0044 -3.1512 3  210.9156424 -5951614042625 2 2    2524 2 2      C-13-H3C(O)CH3
  514476.1240  0.0040 -5.3375 3  431.4867744 -59516140446 838 1    45 937 1      C-13-H3C(O)CH3
  514476.1240  0.0039 -3.4855 3  431.4861744 -59516140446 838 2    45 837 2      C-13-H3C(O)CH3
  514476.1240  0.0039 -4.3272 3  431.4861744 -59516140446 838 2    45 937 2      C-13-H3C(O)CH3
  514476.1240  0.0040 -3.4325 3  431.4867744 -59516140446 838 1    45 837 1      C-13-H3C(O)CH3
  514476.1240  0.0040 -5.3375 3  431.4867744 -59516140446 938 1    45 837 1      C-13-H3C(O)CH3
  514476.1240  0.0039 -4.3272 3  431.4861744 -59516140446 938 2    45 837 2      C-13-H3C(O)CH3
  514476.1240  0.0040 -3.4325 3  431.4867744 -59516140446 938 1    45 937 1      C-13-H3C(O)CH3
  514476.1240  0.0039 -3.4855 3  431.4861744 -59516140446 938 2    45 937 2      C-13-H3C(O)CH3
  514476.3897  0.0118 -6.0084 3  395.3205632  595161404391920 2    391623 2      C-13-H3C(O)CH3
  514481.9229  0.0101 -6.0079 3  395.3494632  595161404392020 0    391723 0      C-13-H3C(O)CH3
  514500.6213  0.0030 -3.4619 3  431.5107744 -59516140446 838 0    45 937 0      C-13-H3C(O)CH3
  514500.6213  0.0030 -4.5405 3  431.5107744 -59516140446 938 0    45 937 0      C-13-H3C(O)CH3
  514500.6213  0.0030 -3.4619 3  431.5107744 -59516140446 938 0    45 837 0      C-13-H3C(O)CH3
  514500.6213  0.0030 -4.5405 3  431.5107744 -59516140446 838 0    45 837 0      C-13-H3C(O)CH3
  514501.5928  0.0118 -6.0084 3  395.3205632  595161404392020 2    391723 2      C-13-H3C(O)CH3
  514510.3491  0.0460 -6.3621 3  490.0601680  595161404422814 2    422319 2      C-13-H3C(O)CH3
  514512.0267  0.0349 -6.5014 3  469.5226664  595161404412813 1    412318 1      C-13-H3C(O)CH3
  514520.9341  0.0111 -6.0074 3  395.3227632  595161404391920 1    391623 1      C-13-H3C(O)CH3
  514539.5939  0.0123 -6.3087 3  395.2937316  595161404391920 3    391623 3      C-13-H3C(O)CH3
  514539.6708  0.0124 -6.3086 3  395.2936316  595161404391920 4    391623 4      C-13-H3C(O)CH3
  514542.5804  0.0045 -3.1510 3  210.9130424 -5951614042625 2 1    2524 2 1      C-13-H3C(O)CH3
  514545.3070  0.0111 -6.0073 3  395.3227632  595161404392020 1    391723 1      C-13-H3C(O)CH3
  514565.2197  0.0123 -6.3086 3  395.2937316  595161404392020 3    391723 3      C-13-H3C(O)CH3
  514565.2262  0.0123 -6.3086 3  395.2936316  595161404392020 4    391723 4      C-13-H3C(O)CH3
  514575.7995  0.0056 -3.4519 3  210.8389212  5951614042625 2 4    2524 2 4      C-13-H3C(O)CH3
  514587.7671  0.0731 -6.5083 3  939.6831476  595161404593227 3    583524 3      C-13-H3C(O)CH3
  514596.3751  0.0537 -5.1578 3  559.3741728  595161404452917 2    443014 2      C-13-H3C(O)CH3
  514606.2488  0.0680 -6.5083 3  939.6825476  595161404593227 4    583524 4      C-13-H3C(O)CH3
  514640.3296  0.0158 -5.9462 3  541.2434728  595161404452421 0    452124 0      C-13-H3C(O)CH3
  514648.1768  0.0244 -5.9461 3  541.2215728  595161404452421 2    452124 2      C-13-H3C(O)CH3
  514660.6223  0.1064 -6.2086 3  939.6737952  595161404593227 1    583524 1      C-13-H3C(O)CH3
  514693.6670  0.0889 -6.2081 3  939.6738952  595161404593227 2    583524 2      C-13-H3C(O)CH3
  514708.8586  0.0167 -5.9454 3  541.2237728  595161404452421 1    452124 1      C-13-H3C(O)CH3
  514716.4300  0.0257 -6.2463 3  541.2017364  595161404452421 3    452124 3      C-13-H3C(O)CH3
  514717.3862  0.0259 -6.2463 3  541.2017364  595161404452421 4    452124 4      C-13-H3C(O)CH3
  514719.0263  0.1219 -5.3350 3  615.2565984  59516140461 160 2    61 161 2      C-13-H3C(O)CH3
  514719.0263  0.1219 -6.1848 3  615.2565984  59516140461 160 2    61 061 2      C-13-H3C(O)CH3
  514719.0263  0.1219 -5.3294 3  615.2565984  59516140461 260 2    61 061 2      C-13-H3C(O)CH3
  514719.0263  0.1219 -6.1468 3  615.2565984  59516140461 260 2    61 161 2      C-13-H3C(O)CH3
  514722.4454  0.1260 -5.2773 3  615.2568984  59516140461 160 1    61 061 1      C-13-H3C(O)CH3
  514722.4454  0.1260 -5.2773 3  615.2568984  59516140461 260 1    61 161 1      C-13-H3C(O)CH3
  514752.8229  0.1111 -6.2095 3  939.6648952  595161404593227 0    583524 0      C-13-H3C(O)CH3
  514855.4722  0.0292 -6.3476 3  471.8685648  5951614044032 8 2    402911 2      C-13-H3C(O)CH3
  514900.6411  0.0280 -6.3484 3  471.8286648  5951614044032 9 1    402912 1      C-13-H3C(O)CH3
  514905.4148  0.1283 -5.6082 3 1361.7555C72  595161404791861 0    791862 0      C-13-H3C(O)CH3
  514905.4148  0.1283 -5.6082 3 1361.7555C72  595161404791961 0    791762 0      C-13-H3C(O)CH3
  514969.8436  0.1533 -5.6385 3 1361.7701C72  595161404791861 1    791862 1      C-13-H3C(O)CH3
  514969.8436  0.1533 -5.6385 3 1361.7701C72  595161404791961 1    791762 1      C-13-H3C(O)CH3
  514976.2684  0.1526 -6.4035 3 1361.7705C72  595161404791961 2    791862 2      C-13-H3C(O)CH3
  514976.2684  0.1526 -5.6833 3 1361.7705C72  595161404791961 2    791762 2      C-13-H3C(O)CH3
  514976.2684  0.1526 -6.4035 3 1361.7705C72  595161404791861 2    791762 2      C-13-H3C(O)CH3
  514976.2684  0.1526 -5.6833 3 1361.7705C72  595161404791861 2    791862 2      C-13-H3C(O)CH3
  514984.0190  0.0590 -5.0683 3  652.6909A00  59516140462 260 0    62 261 0      C-13-H3C(O)CH3
  514984.0190  0.0590 -5.0683 3  652.6909A00  59516140462 360 0    62 161 0      C-13-H3C(O)CH3
  514984.0190  0.0590 -6.4807 3  652.6909A00  59516140462 360 0    62 261 0      C-13-H3C(O)CH3
  514984.0190  0.0590 -6.4807 3  652.6909A00  59516140462 260 0    62 161 0      C-13-H3C(O)CH3
  515040.8121  0.0958 -5.9326 3 1361.7851636  595161404791961 3    791862 3      C-13-H3C(O)CH3
  515040.8121  0.0958 -5.9326 3 1361.7851636  595161404791861 3    791762 3      C-13-H3C(O)CH3
  515040.9714  0.0958 -5.9594 3 1361.7851636  595161404791861 4    791762 4      C-13-H3C(O)CH3
  515040.9714  0.0958 -5.9594 3 1361.7851636  595161404791961 4    791862 4      C-13-H3C(O)CH3
  515049.2174  0.0477 -5.2683 3  559.3563364  595161404452917 3    443014 3      C-13-H3C(O)CH3
  515065.2620  0.0345 -5.0838 3  559.3569728  595161404452917 1    443014 1      C-13-H3C(O)CH3
  515083.6837  0.1010 -6.1707 3  822.7441872  595161404543718 0    543421 0      C-13-H3C(O)CH3
  515121.3003  0.0275 -6.3498 3  471.8560648  5951614044032 8 0    402911 0      C-13-H3C(O)CH3
  515128.5177  0.0277 -6.3513 3  471.8397648  5951614044032 9 2    402912 2      C-13-H3C(O)CH3
  515130.4264  0.0275 -6.3498 3  471.8557648  5951614044032 9 0    402912 0      C-13-H3C(O)CH3
  515132.9386  0.0298 -6.3470 3  471.8497648  5951614044032 8 1    402911 1      C-13-H3C(O)CH3
  515309.7985  0.1005 -6.4091 3  822.7565872  595161404543718 1    543421 1      C-13-H3C(O)CH3
  515323.0937  0.0155 -5.9453 3  541.2435728  595161404452521 0    452224 0      C-13-H3C(O)CH3
  515361.9702  0.0223 -5.9451 3  541.2216728  595161404452521 2    452224 2      C-13-H3C(O)CH3
  515409.2211  0.0169 -5.9445 3  541.2237728  595161404452521 1    452224 1      C-13-H3C(O)CH3
  515427.8200  0.0317 -5.9866 3  677.4555808  595161404502922 0    502625 0      C-13-H3C(O)CH3
  515435.1812  0.0433 -5.9862 3  677.4452808  595161404502922 2    502625 2      C-13-H3C(O)CH3
  515448.4610  0.0236 -6.2453 3  541.2017364  595161404452521 4    452224 4      C-13-H3C(O)CH3
  515448.8288  0.0234 -6.2453 3  541.2017364  595161404452521 3    452224 3      C-13-H3C(O)CH3
  515455.5580  0.1142 -6.4079 3  822.7574872  595161404543718 2    543421 2      C-13-H3C(O)CH3
  515469.0546  0.0348 -5.9859 3  677.4467808  595161404502922 1    502625 1      C-13-H3C(O)CH3
  515470.5716  0.1204 -5.7258 3 1314.3834C56  595161404781761 0    781662 0      C-13-H3C(O)CH3
  515470.5716  0.1204 -5.9740 3 1314.3834C56  595161404781861 0    781662 0      C-13-H3C(O)CH3
  515470.5716  0.1204 -5.9740 3 1314.3834C56  595161404781761 0    781762 0      C-13-H3C(O)CH3
  515470.5716  0.1204 -5.7258 3 1314.3834C56  595161404781861 0    781762 0      C-13-H3C(O)CH3
  515475.7805  0.0459 -6.2865 3  677.4364404  595161404502922 4    502625 4      C-13-H3C(O)CH3
  515479.4673  0.0453 -6.2865 3  677.4364404  595161404502922 3    502625 3      C-13-H3C(O)CH3
  515507.5628  0.0212 -4.8374 3  559.3491728  595161404452917 0    443014 0      C-13-H3C(O)CH3
  515533.2721  0.0031 -4.3460 3  437.7524380 -59516140447 840 3    46 839 3      C-13-H3C(O)CH3
  515533.2721  0.0031 -4.3460 3  437.7524380 -59516140447 740 3    46 739 3      C-13-H3C(O)CH3
  515533.2721  0.0031 -3.7851 3  437.7524380 -59516140447 840 4    46 839 4      C-13-H3C(O)CH3
  515533.2721  0.0031 -3.7851 3  437.7524380 -59516140447 740 4    46 739 4      C-13-H3C(O)CH3
  515533.2721  0.0031 -3.8289 3  437.7524380 -59516140447 740 3    46 839 3      C-13-H3C(O)CH3
  515533.2721  0.0031 -3.8289 3  437.7524380 -59516140447 840 3    46 739 3      C-13-H3C(O)CH3
  515533.2886  0.0031 -4.5326 3  437.7524380  59516140447 840 4    46 739 4      C-13-H3C(O)CH3
  515533.2886  0.0031 -4.5326 3  437.7524380  59516140447 740 4    46 839 4      C-13-H3C(O)CH3
  515548.6167  0.0347 -5.7260 3  559.3396364  595161404452917 3    443015 3      C-13-H3C(O)CH3
  515554.3122  0.1455 -5.6596 3 1314.3942C56  595161404781761 1    781762 1      C-13-H3C(O)CH3
  515554.3122  0.1455 -6.1230 3 1314.3942C56  595161404781861 1    781762 1      C-13-H3C(O)CH3
  515554.3122  0.1455 -5.6596 3 1314.3942C56  595161404781861 1    781662 1      C-13-H3C(O)CH3
  515554.3122  0.1455 -6.1230 3 1314.3942C56  595161404781761 1    781662 1      C-13-H3C(O)CH3
  515559.5772  0.1452 -5.7009 3 1314.3944C56  595161404781761 2    781762 2      C-13-H3C(O)CH3
  515559.5772  0.1452 -6.0215 3 1314.3944C56  595161404781761 2    781662 2      C-13-H3C(O)CH3
  515559.5772  0.1452 -6.0215 3 1314.3944C56  595161404781861 2    781762 2      C-13-H3C(O)CH3
  515559.5772  0.1452 -5.7009 3 1314.3944C56  595161404781861 2    781662 2      C-13-H3C(O)CH3
  515561.0630  0.0039 -3.9702 3  437.7743760 -59516140447 740 1    46 739 1      C-13-H3C(O)CH3
  515561.0630  0.0039 -3.5535 3  437.7743760 -59516140447 740 1    46 839 1      C-13-H3C(O)CH3
  515561.0630  0.0039 -3.5535 3  437.7743760 -59516140447 840 1    46 739 1      C-13-H3C(O)CH3
  515561.0630  0.0038 -3.4150 3  437.7738760 -59516140447 740 2    46 739 2      C-13-H3C(O)CH3
  515561.0630  0.0038 -5.6799 3  437.7738760 -59516140447 740 2    46 839 2      C-13-H3C(O)CH3
  515561.0630  0.0039 -3.9702 3  437.7743760 -59516140447 840 1    46 839 1      C-13-H3C(O)CH3
  515561.0630  0.0038 -3.4150 3  437.7738760 -59516140447 840 2    46 839 2      C-13-H3C(O)CH3
  515561.0630  0.0038 -5.6799 3  437.7738760 -59516140447 840 2    46 739 2      C-13-H3C(O)CH3
  515588.6421  0.0029 -3.4477 3  437.7956760 -59516140447 840 0    46 839 0      C-13-H3C(O)CH3
  515588.6421  0.0029 -4.5233 3  437.7956760 -59516140447 840 0    46 739 0      C-13-H3C(O)CH3
  515588.6421  0.0029 -4.5233 3  437.7956760 -59516140447 740 0    46 839 0      C-13-H3C(O)CH3
  515588.6421  0.0029 -3.4477 3  437.7956760 -59516140447 740 0    46 739 0      C-13-H3C(O)CH3
  515626.7865  0.0982 -5.2920 3  615.1922984  59516140461 160 0    61 061 0      C-13-H3C(O)CH3
  515626.7865  0.0982 -5.2920 3  615.1922984  59516140461 260 0    61 161 0      C-13-H3C(O)CH3
  515637.2400  0.0053 -4.4051 3  145.7318196  595161404241411 4    231112 4      C-13-H3C(O)CH3
  515643.4475  0.0909 -5.8864 3 1314.4052628  595161404781861 3    781762 3      C-13-H3C(O)CH3
  515643.4475  0.0909 -5.8864 3 1314.4052628  595161404781761 3    781662 3      C-13-H3C(O)CH3
  515643.6328  0.0909 -5.8326 3 1314.4053628  595161404781761 4    781662 4      C-13-H3C(O)CH3
  515643.6328  0.0909 -5.8326 3 1314.4053628  595161404781861 4    781762 4      C-13-H3C(O)CH3
  515644.7982  0.0042 -4.4051 3  145.7317196  595161404241411 3    231112 3      C-13-H3C(O)CH3
  515715.2935  0.0041 -3.5428 3  213.9448220  5951614042723 4 4    2622 4 4      C-13-H3C(O)CH3
  515793.7777  0.0041 -4.1040 3  145.7252392  595161404241411 2    231112 2      C-13-H3C(O)CH3
  515812.8401  0.0041 -4.1038 3  145.7290392  595161404241411 1    231112 1      C-13-H3C(O)CH3
  515878.2926  0.0033 -3.2414 3  213.9616440 -5951614042723 4 1    2622 4 1      C-13-H3C(O)CH3
  515883.1063  0.0037 -3.5426 3  213.9082220  5951614042723 5 3    2622 5 3      C-13-H3C(O)CH3
  515913.0544  0.0035 -3.2413 3  213.9772440 -5951614042723 4 2    2622 4 2      C-13-H3C(O)CH3
  515924.0066  0.0189 -6.2176 3  218.8151456  5951614042821 8 1    2720 7 1      C-13-H3C(O)CH3
  515946.6469  0.0038 -3.5423 3  213.9104220  5951614042723 4 3    2622 4 3      C-13-H3C(O)CH3
  515953.6285  0.0287 -5.1194 3  559.3288728  595161404452917 2    443015 2      C-13-H3C(O)CH3
  515964.7582  0.0044 -4.1038 3  145.7225392  595161404241411 0    231112 0      C-13-H3C(O)CH3
  516018.7275  0.1103 -5.6842 3 1267.5883C40  595161404771761 0    771562 0      C-13-H3C(O)CH3
  516018.7275  0.1103 -5.8488 3 1267.5883C40  595161404771761 0    771662 0      C-13-H3C(O)CH3
  516018.7275  0.1103 -5.8488 3 1267.5883C40  595161404771661 0    771562 0      C-13-H3C(O)CH3
  516018.7275  0.1103 -5.6842 3 1267.5883C40  595161404771661 0    771662 0      C-13-H3C(O)CH3
  516021.0220  0.0232 -5.2010 3  559.3250728  595161404452917 1    443015 1      C-13-H3C(O)CH3
  516075.7618  0.0029 -3.2409 3  213.9939440 -5951614042723 5 0    2622 4 0      C-13-H3C(O)CH3
  516075.7618  0.0029 -3.2409 3  213.9939440 -5951614042723 4 0    2622 5 0      C-13-H3C(O)CH3
  516080.0149  0.0030 -3.2411 3  213.9406440 -5951614042723 5 2    2622 5 2      C-13-H3C(O)CH3
  516108.6391  0.0030 -3.2409 3  213.9272440 -5951614042723 5 1    2622 5 1      C-13-H3C(O)CH3
  516113.7486  0.0036 -3.5421 3  213.8739220  5951614042723 5 4    2622 5 4      C-13-H3C(O)CH3
  516120.7781  0.1339 -6.0072 3 1267.5946C40  595161404771661 1    771662 1      C-13-H3C(O)CH3
  516120.7781  0.1339 -5.5037 3 1267.5946C40  595161404771661 1    771562 1      C-13-H3C(O)CH3
  516120.7781  0.1339 -6.4532 3 1267.5946C40  595161404771761 1    771562 1      C-13-H3C(O)CH3
  516120.7781  0.1339 -5.6014 3 1267.5946C40  595161404771761 1    771662 1      C-13-H3C(O)CH3
  516124.8170  0.1339 -5.4758 3 1267.5947C40  595161404771761 2    771662 2      C-13-H3C(O)CH3
  516124.8170  0.1339 -5.4576 3 1267.5947C40  595161404771661 2    771562 2      C-13-H3C(O)CH3
  516176.2104  0.0322 -5.3323 3  559.3103364  595161404452917 4    443015 4      C-13-H3C(O)CH3
  516227.0097  0.0854 -5.9164 3 1267.6010620  595161404771761 3    771562 3      C-13-H3C(O)CH3
  516227.0097  0.0854 -6.2740 3 1267.6010620  595161404771661 3    771562 3      C-13-H3C(O)CH3
  516227.0097  0.0854 -6.2740 3 1267.6010620  595161404771761 3    771662 3      C-13-H3C(O)CH3
  516227.0097  0.0854 -5.9164 3 1267.6010620  595161404771661 3    771662 3      C-13-H3C(O)CH3
  516227.2170  0.0854 -5.8590 3 1267.6010620  595161404771761 4    771662 4      C-13-H3C(O)CH3
  516227.2170  0.0854 -5.7634 3 1267.6010620  595161404771661 4    771562 4      C-13-H3C(O)CH3
  516227.2170  0.0854 -6.4424 3 1267.6010620  595161404771661 4    771662 4      C-13-H3C(O)CH3
  516238.3974  0.0342 -5.7207 3  825.1934856  595161404534113 0    524210 0      C-13-H3C(O)CH3
  516238.3979  0.0342 -5.7207 3  825.1934856  595161404534112 0    524211 0      C-13-H3C(O)CH3
  516270.9530  0.0044 -4.0490 3  341.6230292  595161404361917 3    352016 3      C-13-H3C(O)CH3
  516272.8363  0.0041 -4.0490 3  341.6230292  595161404361917 4    352016 4      C-13-H3C(O)CH3
  516283.7149  0.0227 -5.9231 3  218.8196456  5951614042821 8 2    2720 7 2      C-13-H3C(O)CH3
  516296.0113  0.0394 -5.7210 3  825.2208856  595161404534112 1    524210 1      C-13-H3C(O)CH3
  516305.4243  0.0043 -3.7482 3  341.6447584  595161404361917 2    352016 2      C-13-H3C(O)CH3
  516319.7196  0.0038 -3.7477 3  341.6506584  595161404361917 1    352016 1      C-13-H3C(O)CH3
  516330.2089  0.0034 -3.9216 3  366.6105308  595161404381721 4    371820 4      C-13-H3C(O)CH3
  516330.3290  0.0035 -3.9216 3  366.6105308  595161404381721 3    371820 3      C-13-H3C(O)CH3
  516334.0682  0.0034 -3.9216 3  366.6104308  595161404381821 4    371720 4      C-13-H3C(O)CH3
  516334.2029  0.0035 -3.9216 3  366.6104308  595161404381821 3    371720 3      C-13-H3C(O)CH3
  516335.7831  0.0035 -3.6206 3  366.6391616  595161404381721 1    371820 1      C-13-H3C(O)CH3
  516339.4408  0.0035 -3.6206 3  366.6391616  595161404381821 1    371720 1      C-13-H3C(O)CH3
  516346.3893  0.0036 -3.6207 3  366.6359616  595161404381721 2    371820 2      C-13-H3C(O)CH3
  516350.2019  0.0036 -3.6206 3  366.6358616  595161404381821 2    371720 2      C-13-H3C(O)CH3
  516351.8017  0.0029 -3.6207 3  366.6645616  595161404381721 0    371820 0      C-13-H3C(O)CH3
  516353.9039  0.0035 -3.7479 3  341.6722584  595161404361917 0    352016 0      C-13-H3C(O)CH3
  516355.4031  0.0029 -3.6207 3  366.6644616  595161404381821 0    371720 0      C-13-H3C(O)CH3
  516419.5845  0.0370 -5.7208 3  825.2095856  595161404534113 1    524211 1      C-13-H3C(O)CH3
  516488.3233  0.0381 -5.7205 3  825.2215856  595161404534112 2    524210 2      C-13-H3C(O)CH3
  516510.4459  0.0382 -5.7210 3  825.2179856  595161404534113 2    524211 2      C-13-H3C(O)CH3
  516542.7365  0.0033 -3.9693 3  354.4867300  595161404371819 4    361918 4      C-13-H3C(O)CH3
  516542.7974  0.0033 -3.9693 3  354.4867300  595161404371819 3    361918 3      C-13-H3C(O)CH3
  516546.2574  0.0487 -6.0219 3  825.2489428  595161404534112 3    524210 3      C-13-H3C(O)CH3
  516551.7395  0.0984 -5.3870 3 1221.3710C24  595161404761661 0    761462 0      C-13-H3C(O)CH3
  516551.7395  0.0984 -5.3870 3 1221.3710C24  595161404761561 0    761562 0      C-13-H3C(O)CH3
  516552.2304  0.0033 -3.6682 3  354.5151600  595161404371819 1    361918 1      C-13-H3C(O)CH3
  516567.2719  0.0034 -3.6684 3  354.5106600  595161404371819 2    361918 2      C-13-H3C(O)CH3
  516569.9096  0.0508 -6.0224 3  825.2452428  595161404534112 4    524210 4      C-13-H3C(O)CH3
  516571.0658  0.0072 -3.7688 3  324.4196568  595161404352016 1    341915 1      C-13-H3C(O)CH3
  516576.6027  0.0028 -3.6683 3  354.5390600  595161404371819 0    361918 0      C-13-H3C(O)CH3
  516588.5147  0.0282 -5.4703 3  218.7811228  5951614042821 8 3    2720 7 3      C-13-H3C(O)CH3
  516626.9106  0.0030 -5.6910 3  443.5004388 -59516140448 642 3    47 641 3      C-13-H3C(O)CH3
  516626.9106  0.0030 -4.0174 3  443.5004388 -59516140448 742 4    47 741 4      C-13-H3C(O)CH3
  516626.9106  0.0030 -3.7039 3  443.5004388 -59516140448 642 3    47 741 3      C-13-H3C(O)CH3
  516626.9106  0.0030 -3.9842 3  443.5004388 -59516140448 742 4    47 641 4      C-13-H3C(O)CH3
  516626.9106  0.0030 -3.9842 3  443.5004388 -59516140448 642 4    47 741 4      C-13-H3C(O)CH3
  516626.9106  0.0030 -4.0174 3  443.5004388 -59516140448 642 4    47 641 4      C-13-H3C(O)CH3
  516626.9106  0.0030 -3.7039 3  443.5004388 -59516140448 742 3    47 641 3      C-13-H3C(O)CH3
  516626.9106  0.0030 -5.6910 3  443.5004388 -59516140448 742 3    47 741 3      C-13-H3C(O)CH3
  516634.8168  0.0067 -4.0698 3  324.3899284  595161404352016 4    341915 4      C-13-H3C(O)CH3
  516641.0124  0.0036 -3.8865 3  378.0603316  595161404391623 4    381722 4      C-13-H3C(O)CH3
  516641.0747  0.0036 -3.8865 3  378.0603316  595161404391723 4    381622 4      C-13-H3C(O)CH3
  516641.1035  0.0036 -3.8865 3  378.0604316  595161404391623 3    381722 3      C-13-H3C(O)CH3
  516641.1662  0.0036 -3.8865 3  378.0604316  595161404391723 3    381622 3      C-13-H3C(O)CH3
  516642.5503  0.0088 -4.0699 3  324.3897284  595161404352016 3    341915 3      C-13-H3C(O)CH3
  516645.8767  0.0037 -3.5854 3  378.0892632  595161404391623 1    381722 1      C-13-H3C(O)CH3
  516645.9341  0.0037 -3.5854 3  378.0892632  595161404391723 1    381622 1      C-13-H3C(O)CH3
  516653.0298  0.0037 -3.5855 3  378.0868632  595161404391623 2    381722 2      C-13-H3C(O)CH3
  516653.0902  0.0037 -3.5855 3  378.0868632  595161404391723 2    381622 2      C-13-H3C(O)CH3
  516657.4238  0.0037 -4.2860 3  443.5178776 -59516140448 742 2    47 741 2      C-13-H3C(O)CH3
  516657.4238  0.0038 -3.3984 3  443.5183776 -59516140448 642 1    47 641 1      C-13-H3C(O)CH3
  516657.4238  0.0037 -3.4587 3  443.5178776 -59516140448 742 2    47 641 2      C-13-H3C(O)CH3
  516657.4238  0.0037 -3.4587 3  443.5178776 -59516140448 642 2    47 741 2      C-13-H3C(O)CH3
  516657.4238  0.0037 -4.2860 3  443.5178776 -59516140448 642 2    47 641 2      C-13-H3C(O)CH3
  516657.4238  0.0038 -3.3984 3  443.5183776 -59516140448 742 1    47 741 1      C-13-H3C(O)CH3
  516657.7822  0.0030 -3.5855 3  378.1156632  595161404391623 0    381722 0      C-13-H3C(O)CH3
  516657.8375  0.0030 -3.5855 3  378.1156632  595161404391723 0    381622 0      C-13-H3C(O)CH3
  516669.1426  0.0058 -3.7691 3  324.4380568  595161404352016 0    341915 0      C-13-H3C(O)CH3
  516669.4028  0.0476 -6.0217 3  825.2375428  595161404534113 4    524211 4      C-13-H3C(O)CH3
  516670.0383  0.1192 -5.3896 3 1221.3722C24  595161404761561 1    761562 1      C-13-H3C(O)CH3
  516670.0383  0.1192 -5.3972 3 1221.3722C24  595161404761561 1    761462 1      C-13-H3C(O)CH3
  516670.0383  0.1192 -6.2001 3 1221.3722C24  595161404761661 1    761462 1      C-13-H3C(O)CH3
  516672.8688  0.1194 -5.5029 3 1221.3721C24  595161404761561 2    761462 2      C-13-H3C(O)CH3
  516672.8688  0.1194 -6.0162 3 1221.3721C24  595161404761561 2    761562 2      C-13-H3C(O)CH3
  516672.8688  0.1194 -5.5029 3 1221.3721C24  595161404761661 2    761562 2      C-13-H3C(O)CH3
  516672.8688  0.1194 -6.0162 3 1221.3721C24  595161404761661 2    761462 2      C-13-H3C(O)CH3
  516687.5479  0.0029 -4.6296 3  443.5357776 -59516140448 742 0    47 641 0      C-13-H3C(O)CH3
  516687.5479  0.0029 -3.4247 3  443.5357776 -59516140448 642 0    47 641 0      C-13-H3C(O)CH3
  516687.5479  0.0029 -3.4247 3  443.5357776 -59516140448 742 0    47 741 0      C-13-H3C(O)CH3
  516687.5479  0.0029 -4.6296 3  443.5357776 -59516140448 642 0    47 741 0      C-13-H3C(O)CH3
  516692.3855  0.0477 -6.0222 3  825.2339428  595161404534113 3    524211 3      C-13-H3C(O)CH3
  516695.0982  0.0117 -6.4198 3   80.6493148  5951614041813 6 4    17 8 9 4      C-13-H3C(O)CH3
  516698.2756  0.1792 -6.2779 3  974.1523952  595161404593921 0    593624 0      C-13-H3C(O)CH3
  516707.7075  0.0032 -3.9689 3  354.4824300  595161404371919 4    361818 4      C-13-H3C(O)CH3
  516708.1374  0.0033 -3.9689 3  354.4824300  595161404371919 3    361818 3      C-13-H3C(O)CH3
  516711.8063  0.0033 -3.6679 3  354.5109600  595161404371919 1    361818 1      C-13-H3C(O)CH3
  516732.1066  0.0034 -3.6680 3  354.5063600  595161404371919 2    361818 2      C-13-H3C(O)CH3
  516735.7395  0.0028 -3.6680 3  354.5348600  595161404371919 0    361818 0      C-13-H3C(O)CH3
  516740.0185  0.0067 -3.7691 3  324.4081568  595161404352016 2    341915 2      C-13-H3C(O)CH3
  516758.4381  0.0039 -3.6701 3  218.8078228  5951614042821 7 4    2720 7 4      C-13-H3C(O)CH3
  516791.3187  0.0794 -5.6899 3 1221.3733612  595161404761661 3    761462 3      C-13-H3C(O)CH3
  516791.3187  0.0794 -5.6899 3 1221.3733612  595161404761561 3    761562 3      C-13-H3C(O)CH3
  516791.5412  0.0795 -5.6888 3 1221.3733612  595161404761661 4    761562 4      C-13-H3C(O)CH3
  516791.5412  0.0795 -5.6888 3 1221.3733612  595161404761561 4    761462 4      C-13-H3C(O)CH3
  516828.6877  0.0366 -5.1013 3  528.3881356  595161404442718 4    432815 4      C-13-H3C(O)CH3
  516884.3084  0.0036 -3.6770 3  218.7811228  5951614042821 7 3    2720 7 3      C-13-H3C(O)CH3
  516891.5436  0.0032 -3.3692 3  218.8151456  5951614042821 7 1    2720 7 1      C-13-H3C(O)CH3
  516901.8529  0.0417 -6.1618 3  608.8372744  595161404463412 0    463115 0      C-13-H3C(O)CH3
  516931.0944  0.0037 -3.6766 3  218.7697228  5951614042821 8 3    2720 8 3      C-13-H3C(O)CH3
  516956.8067  0.0034 -3.3693 3  218.8196456  5951614042821 7 2    2720 7 2      C-13-H3C(O)CH3
  516965.4099  0.1224 -6.4365 3 1033.8261A00  595161404623329 0    613626 0      C-13-H3C(O)CH3
  517012.1569  0.1213 -6.4347 3 1033.8349A00  595161404623329 1    613626 1      C-13-H3C(O)CH3
  517036.2167  0.1029 -6.4346 3 1033.8361A00  595161404623329 2    613626 2      C-13-H3C(O)CH3
  517049.8446  0.0028 -3.3679 3  218.8277456  5951614042821 8 0    2720 7 0      C-13-H3C(O)CH3
  517057.6875  0.0033 -3.6700 3  218.7430228  5951614042821 8 4    2720 8 4      C-13-H3C(O)CH3
  517062.0722  0.0029 -3.3690 3  218.7772456  5951614042821 8 1    2720 8 1      C-13-H3C(O)CH3
  517071.6935  0.0852 -5.3257 3 1175.7321C08  595161404751461 0    751462 0      C-13-H3C(O)CH3
  517071.6935  0.0852 -5.3257 3 1175.7321C08  595161404751561 0    751362 0      C-13-H3C(O)CH3
  517076.0447  0.0371 -6.1716 3  608.8665744  595161404463412 2    463115 2      C-13-H3C(O)CH3
  517085.3246  0.0031 -3.3695 3  218.7928456  5951614042821 8 2    2720 8 2      C-13-H3C(O)CH3
  517094.4947  0.0419 -6.1803 3  608.8507744  595161404463412 1    463115 1      C-13-H3C(O)CH3
  517102.6803  0.0375 -6.4644 3  608.8855372  595161404463412 4    463115 4      C-13-H3C(O)CH3
  517117.7968  0.0275 -4.7795 3  528.3925712  595161404442718 2    432815 2      C-13-H3C(O)CH3
  517129.4727  0.0028 -3.3678 3  218.8258456  5951614042821 7 0    2720 8 0      C-13-H3C(O)CH3
  517139.6071  0.0234 -5.0677 3  528.3787356  595161404442718 3    432815 3      C-13-H3C(O)CH3
  517169.2013  0.1804 -6.4667 3 1849.7606E32  595161404892762 1    892763 1      C-13-H3C(O)CH3
  517172.2248  0.1773 -6.5073 3 1849.7649E32  595161404892762 2    892763 2      C-13-H3C(O)CH3
  517172.2248  0.1773 -6.5073 3 1849.7649E32  595161404892862 2    892663 2      C-13-H3C(O)CH3
  517202.9373  0.1022 -6.1786 3 1175.7277C08  595161404751561 1    751462 1      C-13-H3C(O)CH3
  517202.9373  0.1022 -5.3835 3 1175.7277C08  595161404751561 1    751362 1      C-13-H3C(O)CH3
  517202.9373  0.1022 -5.3835 3 1175.7277C08  595161404751461 1    751462 1      C-13-H3C(O)CH3
  517202.9373  0.1022 -6.1786 3 1175.7277C08  595161404751461 1    751362 1      C-13-H3C(O)CH3
  517204.6582  0.1025 -5.4432 3 1175.7276C08  595161404751561 2    751462 2      C-13-H3C(O)CH3
  517204.6582  0.1025 -5.9234 3 1175.7276C08  595161404751561 2    751362 2      C-13-H3C(O)CH3
  517204.6582  0.1025 -5.9234 3 1175.7276C08  595161404751461 2    751462 2      C-13-H3C(O)CH3
  517204.6582  0.1025 -5.4432 3 1175.7276C08  595161404751461 2    751362 2      C-13-H3C(O)CH3
  517205.2656  0.0366 -6.4732 3  608.8542372  595161404463412 3    463115 3      C-13-H3C(O)CH3
  517226.8881  0.0279 -5.4695 3  218.7697228  5951614042821 7 3    2720 8 3      C-13-H3C(O)CH3
  517230.2186  0.0313 -5.3206 3  714.8085808  595161404503615 2    493713 2      C-13-H3C(O)CH3
  517246.1187  0.0302 -5.3209 3  714.7868808  595161404503615 0    493712 0      C-13-H3C(O)CH3
  517247.7904  0.0302 -5.3209 3  714.7868808  595161404503614 0    493713 0      C-13-H3C(O)CH3
  517252.0567  0.0037 -3.8584 3  388.8855324  595161404401525 4    391624 4      C-13-H3C(O)CH3
  517252.0575  0.0037 -3.8584 3  388.8855324  595161404401625 4    391524 4      C-13-H3C(O)CH3
  517252.1339  0.0037 -3.8584 3  388.8855324  595161404401525 3    391624 3      C-13-H3C(O)CH3
  517252.1346  0.0037 -3.8584 3  388.8855324  595161404401625 3    391524 3      C-13-H3C(O)CH3
  517257.1746  0.0038 -3.5574 3  388.9146648  595161404401525 1    391624 1      C-13-H3C(O)CH3
  517257.1753  0.0038 -3.5574 3  388.9146648  595161404401625 1    391524 1      C-13-H3C(O)CH3
  517259.0987  0.0046 -4.7024 3  107.7253180  59516140422 814 3    21 715 3      C-13-H3C(O)CH3
  517259.1565  0.0063 -4.7024 3  107.7253180  59516140422 814 4    21 715 4      C-13-H3C(O)CH3
  517259.5440  0.0046 -4.7024 3  107.7253180  59516140422 914 3    21 615 3      C-13-H3C(O)CH3
  517259.5977  0.0063 -4.7024 3  107.7253180  59516140422 914 4    21 615 4      C-13-H3C(O)CH3
  517262.2459  0.0039 -3.5575 3  388.9127648  595161404401525 2    391624 2      C-13-H3C(O)CH3
  517262.2466  0.0039 -3.5575 3  388.9127648  595161404401625 2    391524 2      C-13-H3C(O)CH3
  517267.2754  0.0031 -3.5575 3  388.9416648  595161404401525 0    391624 0      C-13-H3C(O)CH3
  517267.2760  0.0031 -3.5575 3  388.9416648  595161404401625 0    391524 0      C-13-H3C(O)CH3
  517275.7688  0.1646 -6.3819 3  974.1650952  595161404593921 1    593624 1      C-13-H3C(O)CH3
  517295.3796  0.1955 -6.3976 3  974.1652952  595161404593921 2    593624 2      C-13-H3C(O)CH3
  517299.5175  0.0372 -5.4023 3  648.6568388  595161404483316 4    473414 4      C-13-H3C(O)CH3
  517313.7740  0.0338 -5.1017 3  648.6611776  595161404483316 2    473414 2      C-13-H3C(O)CH3
  517324.1856  0.0337 -5.6216 3  714.8141404  595161404503615 4    493713 4      C-13-H3C(O)CH3
  517336.0572  0.0732 -6.2690 3 1175.7232604  595161404751461 3    751362 3      C-13-H3C(O)CH3
  517336.0572  0.0732 -5.7300 3 1175.7232604  595161404751461 3    751462 3      C-13-H3C(O)CH3
  517336.0572  0.0732 -6.2690 3 1175.7232604  595161404751561 3    751462 3      C-13-H3C(O)CH3
  517336.0572  0.0732 -5.7300 3 1175.7232604  595161404751561 3    751362 3      C-13-H3C(O)CH3
  517336.2846  0.0733 -6.2569 3 1175.7232604  595161404751561 4    751362 4      C-13-H3C(O)CH3
  517336.2846  0.0733 -5.7336 3 1175.7232604  595161404751561 4    751462 4      C-13-H3C(O)CH3
  517336.2846  0.0733 -5.6768 3 1175.7232604  595161404751461 4    751362 4      C-13-H3C(O)CH3
  517340.7006  0.0319 -5.3209 3  714.7924808  595161404503615 1    493713 1      C-13-H3C(O)CH3
  517357.9933  0.0146 -4.7712 3  528.3872712  595161404442718 1    432815 1      C-13-H3C(O)CH3
  517370.9203  0.0414 -6.1611 3  608.8215744  595161404463413 0    463116 0      C-13-H3C(O)CH3
  517380.5390  0.0434 -6.1813 3  608.8134744  595161404463413 1    463116 1      C-13-H3C(O)CH3
  517386.7384  0.0333 -5.6218 3  714.8364404  595161404503615 3    493712 3      C-13-H3C(O)CH3
  517404.5815  0.0313 -5.3209 3  714.8146808  595161404503614 1    493712 1      C-13-H3C(O)CH3
  517430.1613  0.0329 -5.4137 3  648.6852388  595161404483316 3    473414 3      C-13-H3C(O)CH3
  517475.7817  0.0102 -3.7989 3  307.4492552  595161404342015 1    331914 1      C-13-H3C(O)CH3
  517482.5066  0.0318 -5.1013 3  648.6522776  595161404483316 0    473413 0      C-13-H3C(O)CH3
  517488.9180  0.0312 -6.2309 3  538.0013696  595161404433310 2    433013 2      C-13-H3C(O)CH3
  517500.1584  0.0119 -4.7656 3  528.3960712  595161404442718 0    432815 0      C-13-H3C(O)CH3
  517511.8004  0.0331 -5.1023 3  648.6481776  595161404483316 1    473414 1      C-13-H3C(O)CH3
  517512.3098  0.0306 -5.3208 3  714.8253808  595161404503614 2    493712 2      C-13-H3C(O)CH3
  517531.3061  0.2813 -6.3121 3  985.5622968  595161404603525 1    603228 1      C-13-H3C(O)CH3
  517564.6649  0.0047 -4.4006 3  107.7000360  59516140422 814 2    21 715 2      C-13-H3C(O)CH3
  517565.1276  0.0047 -4.4006 3  107.7000360  59516140422 914 2    21 615 2      C-13-H3C(O)CH3
  517565.5990  0.0103 -4.0997 3  307.4199276  595161404342015 4    331914 4      C-13-H3C(O)CH3
  517576.0859  0.0127 -4.0998 3  307.4196276  595161404342015 3    331914 3      C-13-H3C(O)CH3
  517579.3363  0.0319 -5.1011 3  648.6522776  595161404483315 0    473414 0      C-13-H3C(O)CH3
  517580.9204  0.0714 -5.3379 3 1130.6723B92  595161404741361 0    741262 0      C-13-H3C(O)CH3
  517580.9204  0.0714 -6.0147 3 1130.6723B92  595161404741361 0    741362 0      C-13-H3C(O)CH3
  517580.9204  0.0714 -5.3379 3 1130.6723B92  595161404741461 0    741362 0      C-13-H3C(O)CH3
  517580.9204  0.0714 -6.0147 3 1130.6723B92  595161404741461 0    741262 0      C-13-H3C(O)CH3
  517582.6146  0.4144 -6.3122 3  985.5636968  595161404603525 2    603228 2      C-13-H3C(O)CH3
  517583.5345  0.0046 -4.4007 3  107.7011360  59516140422 814 1    21 715 1      C-13-H3C(O)CH3
  517583.9766  0.0046 -4.4007 3  107.7011360  59516140422 914 1    21 615 1      C-13-H3C(O)CH3
  517605.2759  0.0316 -5.6219 3  714.8310404  595161404503614 3    493713 3      C-13-H3C(O)CH3
  517626.3288  0.0306 -6.2318 3  537.9761696  595161404433310 0    433013 0      C-13-H3C(O)CH3
  517630.8405  0.0327 -6.2318 3  537.9550696  595161404433311 1    433014 1      C-13-H3C(O)CH3
  517648.8595  0.0321 -6.2305 3  537.9829696  595161404433310 1    433013 1      C-13-H3C(O)CH3
  517649.7298  0.0247 -5.4136 3  648.6882388  595161404483315 3    473413 3      C-13-H3C(O)CH3
  517655.4042  0.0318 -5.1022 3  648.6763776  595161404483315 1    473413 1      C-13-H3C(O)CH3
  517656.0760  0.0083 -3.7992 3  307.4635552  595161404342015 0    331914 0      C-13-H3C(O)CH3
  517661.6314  0.0276 -5.1016 3  648.6924776  595161404483315 2    473413 2      C-13-H3C(O)CH3
  517670.1660  0.0377 -5.6219 3  714.8532404  595161404503614 4    493712 4      C-13-H3C(O)CH3
  517699.4577  0.0306 -6.2317 3  537.9737696  595161404433311 0    433014 0      C-13-H3C(O)CH3
  517720.3733  0.0843 -5.3201 3 1130.6621B92  595161404741361 1    741262 1      C-13-H3C(O)CH3
  517720.3733  0.0843 -5.3201 3 1130.6621B92  595161404741461 1    741362 1      C-13-H3C(O)CH3
  517720.3733  0.0843 -6.1087 3 1130.6621B92  595161404741461 1    741262 1      C-13-H3C(O)CH3
  517720.3733  0.0843 -6.1087 3 1130.6621B92  595161404741361 1    741362 1      C-13-H3C(O)CH3
  517721.1573  0.0844 -5.2683 3 1130.6619B92  595161404741361 2    741362 2      C-13-H3C(O)CH3
  517721.1573  0.0844 -5.2683 3 1130.6619B92  595161404741461 2    741262 2      C-13-H3C(O)CH3
  517730.6262  0.0029 -4.1407 3  448.7080396  59516140449 644 4    48 643 4      C-13-H3C(O)CH3
  517730.6262  0.0029 -3.8728 3  448.7080396  59516140449 544 4    48 643 4      C-13-H3C(O)CH3
  517730.6330  0.0029 -3.7033 3  448.7079396 -59516140449 644 3    48 543 3      C-13-H3C(O)CH3
  517730.6330  0.0029 -3.8728 3  448.7080396 -59516140449 644 4    48 543 4      C-13-H3C(O)CH3
  517730.6330  0.0029 -4.1407 3  448.7080396 -59516140449 544 4    48 543 4      C-13-H3C(O)CH3
  517730.6330  0.0029 -5.0785 3  448.7079396 -59516140449 544 3    48 543 3      C-13-H3C(O)CH3
  517730.6702  0.0029 -5.0785 3  448.7079396  59516140449 644 3    48 643 3      C-13-H3C(O)CH3
  517730.6702  0.0029 -3.7033 3  448.7079396  59516140449 544 3    48 643 3      C-13-H3C(O)CH3
  517744.2273  0.0450 -6.1740 3  608.8163744  595161404463413 2    463116 2      C-13-H3C(O)CH3
  517756.2905  0.0096 -3.7990 3  307.4340552  595161404342015 2    331914 2      C-13-H3C(O)CH3
  517758.4164  0.0222 -5.9209 3  218.7928456  5951614042821 7 2    2720 8 2      C-13-H3C(O)CH3
  517762.7305  0.0037 -3.7224 3  448.7203792  59516140449 644 1    48 543 1      C-13-H3C(O)CH3
  517762.7305  0.0037 -3.6512 3  448.7203792  59516140449 544 1    48 543 1      C-13-H3C(O)CH3
  517762.9357  0.0037 -3.7224 3  448.7203792 -59516140449 544 1    48 643 1      C-13-H3C(O)CH3
  517762.9357  0.0036 -3.4555 3  448.7198792 -59516140449 544 2    48 643 2      C-13-H3C(O)CH3
  517762.9357  0.0037 -3.6512 3  448.7203792 -59516140449 644 1    48 643 1      C-13-H3C(O)CH3
  517762.9357  0.0036 -4.2049 3  448.7198792 -59516140449 644 2    48 643 2      C-13-H3C(O)CH3
  517763.0758  0.0036 -4.2049 3  448.7198792  59516140449 544 2    48 543 2      C-13-H3C(O)CH3
  517763.0758  0.0036 -3.4555 3  448.7198792  59516140449 644 2    48 543 2      C-13-H3C(O)CH3
  517782.3226  0.0270 -5.4022 3  648.7164388  595161404483315 4    473413 4      C-13-H3C(O)CH3
  517795.0832  0.0028 -4.8492 3  448.7321792 -59516140449 644 0    48 543 0      C-13-H3C(O)CH3
  517795.0832  0.0028 -3.3995 3  448.7321792 -59516140449 544 0    48 543 0      C-13-H3C(O)CH3
  517795.0860  0.0028 -4.8492 3  448.7321792  59516140449 544 0    48 643 0      C-13-H3C(O)CH3
  517795.0860  0.0028 -3.3995 3  448.7321792  59516140449 644 0    48 643 0      C-13-H3C(O)CH3
  517795.6230  0.0195 -6.2008 3   97.9692156  5951614041916 4 3    1813 5 3      C-13-H3C(O)CH3
  517820.2878  0.0428 -6.4738 3  608.8337372  595161404463413 3    463116 3      C-13-H3C(O)CH3
  517860.7639  0.0670 -5.5554 3 1130.6516596  595161404741461 3    741262 3      C-13-H3C(O)CH3
  517860.7639  0.0670 -5.5554 3 1130.6516596  595161404741361 3    741362 3      C-13-H3C(O)CH3
  517860.9816  0.0670 -5.5585 3 1130.6516596  595161404741361 4    741362 4      C-13-H3C(O)CH3
  517860.9816  0.0670 -5.5585 3 1130.6516596  595161404741461 4    741262 4      C-13-H3C(O)CH3
  517888.0196  0.0031 -5.7836 3  225.7982236  595161404291911 4    281811 4      C-13-H3C(O)CH3
  517888.4247  0.0047 -4.3998 3  107.6759360  59516140422 814 0    21 715 0      C-13-H3C(O)CH3
  517888.8855  0.0047 -4.3998 3  107.6759360  59516140422 914 0    21 615 0      C-13-H3C(O)CH3
  517893.3117  0.0029 -6.4166 3  225.7991236  595161404291911 3    281811 3      C-13-H3C(O)CH3
  517920.1573  0.0529 -6.4680 3  608.8024372  595161404463413 4    463116 4      C-13-H3C(O)CH3
  517943.4215  0.1579 -6.3638 3 1796.6500E16  595161404882662 1    882563 1      C-13-H3C(O)CH3
  517943.4215  0.1579 -6.3638 3 1796.6500E16  595161404882762 1    882663 1      C-13-H3C(O)CH3
  517946.9554  0.0325 -6.2340 3  537.9619696  595161404433311 2    433014 2      C-13-H3C(O)CH3
  517948.5573  0.1568 -6.3779 3 1796.6538E16  595161404882762 2    882663 2      C-13-H3C(O)CH3
  517950.3502  0.0031 -5.7497 3  225.8147472  595161404291911 1    281811 1      C-13-H3C(O)CH3
  517950.8603  0.0149 -5.9717 3   97.9692156  5951614041916 3 3    1813 5 3      C-13-H3C(O)CH3
  517960.3044  0.0089 -6.0678 3   80.6207296  5951614041813 6 1    17 8 9 1      C-13-H3C(O)CH3
  517996.6166  0.1766 -6.3847 3 1796.6347E16  595161404882662 0    882663 0      C-13-H3C(O)CH3
  517996.6166  0.1766 -6.3847 3 1796.6347E16  595161404882762 0    882563 0      C-13-H3C(O)CH3
  518020.6708  0.0612 -6.3610 3  990.4700920  595161404574810 1    5649 8 1      C-13-H3C(O)CH3
  518023.2294  0.0062 -6.2612 3   80.6491148  5951614041813 6 3    17 8 9 3      C-13-H3C(O)CH3
  518029.6092  0.0181 -6.2146 3  218.7772456  5951614042821 7 1    2720 8 1      C-13-H3C(O)CH3
  518033.9863  0.0038 -3.8350 3  399.1141332  595161404411527 4    401426 4      C-13-H3C(O)CH3
  518033.9863  0.0038 -3.8350 3  399.1141332  595161404411427 4    401526 4      C-13-H3C(O)CH3
  518034.0577  0.0038 -3.8350 3  399.1141332  595161404411527 3    401426 3      C-13-H3C(O)CH3
  518034.0577  0.0038 -3.8350 3  399.1141332  595161404411427 3    401526 3      C-13-H3C(O)CH3
  518040.1305  0.0040 -3.5340 3  399.1433664  595161404411427 1    401526 1      C-13-H3C(O)CH3
  518040.1305  0.0040 -3.5340 3  399.1433664  595161404411527 1    401426 1      C-13-H3C(O)CH3
  518043.8576  0.0040 -3.5340 3  399.1418664  595161404411527 2    401426 2      C-13-H3C(O)CH3
  518043.8576  0.0040 -3.5340 3  399.1418664  595161404411427 2    401526 2      C-13-H3C(O)CH3
  518049.9233  0.0032 -3.5341 3  399.1710664  595161404411427 0    401526 0      C-13-H3C(O)CH3
  518049.9233  0.0032 -3.5341 3  399.1710664  595161404411527 0    401426 0      C-13-H3C(O)CH3
  518082.0095  0.0580 -5.2261 3 1086.1921B76  595161404731261 0    731262 0      C-13-H3C(O)CH3
  518082.0095  0.0580 -5.2261 3 1086.1921B76  595161404731361 0    731162 0      C-13-H3C(O)CH3
  518082.0095  0.0580 -6.3465 3 1086.1921B76  595161404731261 0    731162 0      C-13-H3C(O)CH3
  518082.0095  0.0580 -6.3465 3 1086.1921B76  595161404731361 0    731262 0      C-13-H3C(O)CH3
  518157.5686  0.0707 -6.3615 3  990.4533920  595161404574810 2    5649 8 2      C-13-H3C(O)CH3
  518215.0625  0.2925 -6.3127 3  985.5540968  595161404603525 0    603228 0      C-13-H3C(O)CH3
  518223.3052  0.0672 -5.1956 3 1086.1760B76  595161404731261 1    731162 1      C-13-H3C(O)CH3
  518223.3052  0.0672 -5.1956 3 1086.1760B76  595161404731361 1    731262 1      C-13-H3C(O)CH3
  518223.3865  0.0671 -5.2402 3 1086.1758B76  595161404731361 2    731262 2      C-13-H3C(O)CH3
  518223.3865  0.0671 -5.2402 3 1086.1758B76  595161404731261 2    731162 2      C-13-H3C(O)CH3
  518223.3865  0.0671 -6.1913 3 1086.1758B76  595161404731361 2    731162 2      C-13-H3C(O)CH3
  518223.3865  0.0671 -6.1913 3 1086.1758B76  595161404731261 2    731262 2      C-13-H3C(O)CH3
  518228.5243  0.0649 -6.3613 3  990.4710920  5951614045748 9 1    5649 7 1      C-13-H3C(O)CH3
  518239.8395  0.0605 -6.3606 3  990.4449920  595161404574810 0    5649 8 0      C-13-H3C(O)CH3
  518239.8395  0.0605 -6.3606 3  990.4449920  5951614045748 9 0    5649 7 0      C-13-H3C(O)CH3
  518275.9046  0.0087 -6.0543 3   80.6177296  5951614041813 6 2    17 8 9 2      C-13-H3C(O)CH3
  518333.5926  0.0125 -5.7751 3   97.8844156  5951614041916 4 4    1813 6 4      C-13-H3C(O)CH3
  518345.7369  0.0801 -6.1629 3  739.3260824  595161404513615 0    513318 0      C-13-H3C(O)CH3
  518364.8278  0.0610 -5.5765 3 1086.1597588  595161404731261 3    731262 3      C-13-H3C(O)CH3
  518364.8278  0.0610 -6.2603 3 1086.1597588  595161404731261 3    731162 3      C-13-H3C(O)CH3
  518364.8278  0.0610 -5.5765 3 1086.1597588  595161404731361 3    731162 3      C-13-H3C(O)CH3
  518364.8278  0.0610 -6.2603 3 1086.1597588  595161404731361 3    731262 3      C-13-H3C(O)CH3
  518365.0160  0.0610 -5.5245 3 1086.1597588  595161404731361 4    731262 4      C-13-H3C(O)CH3
  518365.0160  0.0610 -5.5245 3 1086.1597588  595161404731261 4    731162 4      C-13-H3C(O)CH3
  518370.7562  0.2693 -6.3634 3 1070.0344A00  595161404624023 0    623726 0      C-13-H3C(O)CH3
  518412.0804  0.0175 -5.0097 3  139.2226188  5951614042316 8 4    2213 9 4      C-13-H3C(O)CH3
  518482.8438  0.1673 -6.3683 3  882.8217460  595161404573225 3    563522 3      C-13-H3C(O)CH3
  518494.5969  0.0650 -6.3612 3  990.4629920  5951614045748 9 2    5649 7 2      C-13-H3C(O)CH3
  518577.8204  0.0458 -5.2610 3 1042.2919B60  595161404721261 0    721162 0      C-13-H3C(O)CH3
  518577.8204  0.0458 -5.2610 3 1042.2919B60  595161404721161 0    721062 0      C-13-H3C(O)CH3
  518577.8204  0.0458 -5.7461 3 1042.2919B60  595161404721261 0    721062 0      C-13-H3C(O)CH3
  518577.8204  0.0458 -5.7461 3 1042.2919B60  595161404721161 0    721162 0      C-13-H3C(O)CH3
  518584.2886  0.1419 -6.3698 3  882.8184460  595161404573225 4    563522 4      C-13-H3C(O)CH3
  518620.9520  0.1509 -6.2197 3  956.8529952  595161404593624 0    593327 0      C-13-H3C(O)CH3
  518640.6544  0.0141 -5.7854 3   98.0131156  5951614041916 3 4    1813 5 4      C-13-H3C(O)CH3
  518694.0100  0.1457 -6.3490 3 1744.1063E00  595161404872662 1    872463 1      C-13-H3C(O)CH3
  518694.0100  0.1457 -6.3340 3 1744.1063E00  595161404872562 1    872563 1      C-13-H3C(O)CH3
  518700.8423  0.1454 -6.4424 3 1744.1097E00  595161404872562 2    872463 2      C-13-H3C(O)CH3
  518700.8423  0.1454 -6.4424 3 1744.1097E00  595161404872662 2    872563 2      C-13-H3C(O)CH3
  518712.4148  0.0531 -5.1608 3 1042.2702B60  595161404721261 2    721162 2      C-13-H3C(O)CH3
  518712.4148  0.0531 -5.1608 3 1042.2702B60  595161404721161 2    721062 2      C-13-H3C(O)CH3
  518712.4148  0.0531 -6.4235 3 1042.2702B60  595161404721161 2    721162 2      C-13-H3C(O)CH3
  518712.4148  0.0531 -6.4235 3 1042.2702B60  595161404721261 2    721062 2      C-13-H3C(O)CH3
  518712.7588  0.0537 -6.5057 3 1042.2703B60  595161404721161 1    721062 1      C-13-H3C(O)CH3
  518712.7588  0.0537 -6.5057 3 1042.2703B60  595161404721261 1    721162 1      C-13-H3C(O)CH3
  518712.7588  0.0537 -5.1567 3 1042.2703B60  595161404721161 1    721162 1      C-13-H3C(O)CH3
  518712.7588  0.0537 -5.1567 3 1042.2703B60  595161404721261 1    721062 1      C-13-H3C(O)CH3
  518735.9870  0.0094 -6.0457 3  372.0033616  595161404381820 0    381523 0      C-13-H3C(O)CH3
  518737.2596  0.0109 -6.0464 3  371.9746616  595161404381820 2    381523 2      C-13-H3C(O)CH3
  518740.5898  0.1613 -6.4317 3 1744.0887E00  595161404872662 0    872463 0      C-13-H3C(O)CH3
  518740.5898  0.1613 -6.4317 3 1744.0887E00  595161404872562 0    872563 0      C-13-H3C(O)CH3
  518744.5515  0.0094 -6.0456 3  372.0033616  595161404381920 0    381623 0      C-13-H3C(O)CH3
  518746.2834  0.0109 -6.0463 3  371.9746616  595161404381920 2    381623 2      C-13-H3C(O)CH3
  518769.9570  0.1117 -6.2196 3  956.8609952  595161404593624 2    593327 2      C-13-H3C(O)CH3
  518778.2370  0.0105 -6.0452 3  371.9767616  595161404381820 1    381523 1      C-13-H3C(O)CH3
  518779.6445  0.0114 -6.3466 3  371.9480308  595161404381820 4    381523 4      C-13-H3C(O)CH3
  518779.6798  0.0113 -6.3466 3  371.9480308  595161404381820 3    381523 3      C-13-H3C(O)CH3
  518786.9318  0.0105 -6.0452 3  371.9767616  595161404381920 1    381623 1      C-13-H3C(O)CH3
  518788.7802  0.0114 -6.3466 3  371.9480308  595161404381920 4    381623 4      C-13-H3C(O)CH3
  518788.8443  0.0113 -6.3466 3  371.9480308  595161404381920 3    381623 3      C-13-H3C(O)CH3
  518797.2035  0.1443 -6.2196 3  956.8598952  595161404593624 1    593327 1      C-13-H3C(O)CH3
  518843.4791  0.0028 -4.0487 3  453.3767404  59516140450 546 4    49 445 4      C-13-H3C(O)CH3
  518843.4791  0.0028 -3.9073 3  453.3767404  59516140450 446 4    49 445 4      C-13-H3C(O)CH3
  518843.4869  0.0028 -3.6840 3  453.3767404 -59516140450 446 3    49 545 3      C-13-H3C(O)CH3
  518843.4869  0.0028 -3.9073 3  453.3767404 -59516140450 546 4    49 545 4      C-13-H3C(O)CH3
  518843.4869  0.0028 -4.0487 3  453.3767404 -59516140450 446 4    49 545 4      C-13-H3C(O)CH3
  518843.4869  0.0028 -5.2093 3  453.3767404 -59516140450 546 3    49 545 3      C-13-H3C(O)CH3
  518843.5070  0.0028 -3.6840 3  453.3767404  59516140450 546 3    49 445 3      C-13-H3C(O)CH3
  518843.5070  0.0028 -5.2093 3  453.3767404  59516140450 446 3    49 445 3      C-13-H3C(O)CH3
  518847.4837  0.0552 -5.4407 3 1042.2486580  595161404721161 3    721162 3      C-13-H3C(O)CH3
  518847.4837  0.0552 -5.4407 3 1042.2486580  595161404721261 3    721062 3      C-13-H3C(O)CH3
  518847.6178  0.0552 -5.4413 3 1042.2485580  595161404721261 4    721062 4      C-13-H3C(O)CH3
  518847.6178  0.0552 -5.4413 3 1042.2485580  595161404721161 4    721162 4      C-13-H3C(O)CH3
  518876.3117  0.0037 -3.3770 3  453.3813808  59516140450 446 1    49 545 1      C-13-H3C(O)CH3
  518876.3117  0.0037 -5.1740 3  453.3813808  59516140450 546 1    49 545 1      C-13-H3C(O)CH3
  518876.4393  0.0036 -3.4512 3  453.3809808 -59516140450 546 2    49 545 2      C-13-H3C(O)CH3
  518876.4393  0.0037 -5.1740 3  453.3813808 -59516140450 446 1    49 445 1      C-13-H3C(O)CH3
  518876.4393  0.0036 -4.1390 3  453.3809808 -59516140450 446 2    49 545 2      C-13-H3C(O)CH3
  518876.4393  0.0037 -3.3770 3  453.3813808 -59516140450 546 1    49 445 1      C-13-H3C(O)CH3
  518876.5282  0.0036 -3.4512 3  453.3809808  59516140450 446 2    49 445 2      C-13-H3C(O)CH3
  518876.5282  0.0036 -4.1390 3  453.3809808  59516140450 546 2    49 445 2      C-13-H3C(O)CH3
  518909.2758  0.0028 -5.2908 3  453.3854808  59516140450 446 0    49 445 0      C-13-H3C(O)CH3
  518909.2758  0.0028 -5.2908 3  453.3854808  59516140450 546 0    49 545 0      C-13-H3C(O)CH3
  518909.2804  0.0028 -3.3754 3  453.3854808 -59516140450 546 0    49 445 0      C-13-H3C(O)CH3
  518909.2804  0.0028 -3.3754 3  453.3854808 -59516140450 446 0    49 545 0      C-13-H3C(O)CH3
  518920.1555  0.0038 -5.2115 3  408.7635340  595161404421329 4    411328 4      C-13-H3C(O)CH3
  518920.1555  0.0038 -5.0894 3  408.7635340  595161404421429 4    411428 4      C-13-H3C(O)CH3
  518920.2434  0.0038 -3.8384 3  408.7635340 -595161404421329 4    411428 4      C-13-H3C(O)CH3
  518920.2434  0.0038 -6.3721 3  408.7636340 -595161404421329 3    411328 3      C-13-H3C(O)CH3
  518920.2434  0.0038 -3.8325 3  408.7635340 -595161404421429 4    411328 4      C-13-H3C(O)CH3
  518920.2434  0.0038 -3.8148 3  408.7636340 -595161404421329 3    411428 3      C-13-H3C(O)CH3
  518920.2434  0.0038 -3.8159 3  408.7636340 -595161404421429 3    411328 3      C-13-H3C(O)CH3
  518927.9458  0.0041 -4.6716 3  408.7928680 -595161404421429 1    411328 1      C-13-H3C(O)CH3
  518927.9458  0.0041 -4.6693 3  408.7928680 -595161404421329 1    411428 1      C-13-H3C(O)CH3
  518927.9832  0.0041 -3.5452 3  408.7928680  595161404421429 1    411428 1      C-13-H3C(O)CH3
  518927.9832  0.0041 -3.5450 3  408.7928680  595161404421329 1    411328 1      C-13-H3C(O)CH3
  518930.8210  0.0041 -5.0414 3  408.7916680 -595161404421429 2    411428 2      C-13-H3C(O)CH3
  518930.8210  0.0041 -4.9821 3  408.7916680 -595161404421329 2    411328 2      C-13-H3C(O)CH3
  518930.8210  0.0041 -3.5268 3  408.7916680 -595161404421329 2    411428 2      C-13-H3C(O)CH3
  518930.8210  0.0041 -3.5288 3  408.7916680 -595161404421429 2    411328 2      C-13-H3C(O)CH3
  518936.3498  0.0882 -6.5207 3  956.8678476  595161404593624 4    593327 4      C-13-H3C(O)CH3
  518938.5155  0.0032 -3.5432 3  408.8208680 -595161404421329 0    411328 0      C-13-H3C(O)CH3
  518938.5155  0.0032 -4.9316 3  408.8208680 -595161404421329 0    411428 0      C-13-H3C(O)CH3
  518938.5155  0.0032 -4.6978 3  408.8208680 -595161404421429 0    411328 0      C-13-H3C(O)CH3
  518938.5155  0.0032 -3.5307 3  408.8208680 -595161404421429 0    411428 0      C-13-H3C(O)CH3
  518964.0258  0.0907 -6.5206 3  956.8678476  595161404593624 3    593327 3      C-13-H3C(O)CH3
  519006.0976  0.2917 -6.3753 3 1070.0463A00  595161404624023 2    623726 2      C-13-H3C(O)CH3
  519012.8361  0.0902 -6.3392 3  739.3402824  595161404513615 1    513318 1      C-13-H3C(O)CH3
  519013.7978  0.0154 -5.9715 3   97.9285156  5951614041916 4 3    1813 6 3      C-13-H3C(O)CH3
  519032.5360  0.0110 -5.5030 3   97.9749312  5951614041916 3 1    1813 5 1      C-13-H3C(O)CH3
  519045.3732  0.1878 -6.0652 3  882.8052920  595161404573225 2    563522 2      C-13-H3C(O)CH3
  519052.8720  0.1500 -6.0656 3  882.8047920  595161404573225 1    563522 1      C-13-H3C(O)CH3
  519071.4894  0.0363 -5.2473 3  998.9721B44  595161404711161 0    711062 0      C-13-H3C(O)CH3
  519071.4894  0.0363 -5.5955 3  998.9721B44  595161404711161 0    71 962 0      C-13-H3C(O)CH3
  519071.4894  0.0363 -5.5955 3  998.9721B44  595161404711061 0    711062 0      C-13-H3C(O)CH3
  519071.4894  0.0363 -5.2473 3  998.9721B44  595161404711061 0    71 962 0      C-13-H3C(O)CH3
  519079.4743  0.2313 -6.3760 3 1070.0451A00  595161404624023 1    623726 1      C-13-H3C(O)CH3
  519111.9951  0.0119 -4.1676 3  345.3309292  595161404362016 3    352115 3      C-13-H3C(O)CH3
  519119.4495  0.0100 -4.1676 3  345.3308292  595161404362016 4    352115 4      C-13-H3C(O)CH3
  519122.1144  0.0100 -3.8671 3  345.3516584  595161404362016 2    352115 2      C-13-H3C(O)CH3
  519169.0351  0.0184 -6.1994 3   97.9285156  5951614041916 3 3    1813 6 3      C-13-H3C(O)CH3
  519181.7961  0.0104 -5.4980 3   97.8980312  5951614041916 4 1    1813 6 1      C-13-H3C(O)CH3
  519182.9722  0.0110 -4.8980 3  139.2218188  5951614042316 8 3    2213 9 3      C-13-H3C(O)CH3
  519189.3597  0.0460 -6.3949 3  998.9456B44  595161404711161 2    711062 2      C-13-H3C(O)CH3
  519189.3597  0.0460 -5.1055 3  998.9456B44  595161404711161 2    71 962 2      C-13-H3C(O)CH3
  519189.3597  0.0460 -5.1079 3  998.9456B44  595161404711061 2    711062 2      C-13-H3C(O)CH3
  519189.3597  0.0460 -6.4458 3  998.9456B44  595161404711061 2    71 962 2      C-13-H3C(O)CH3
  519189.8315  0.0470 -5.0877 3  998.9457B44  595161404711161 1    71 962 1      C-13-H3C(O)CH3
  519189.8315  0.0470 -5.0877 3  998.9457B44  595161404711061 1    711062 1      C-13-H3C(O)CH3
  519206.2960  0.0058 -5.9530 3   80.5893296  5951614041813 6 0    17 8 9 0      C-13-H3C(O)CH3
  519264.5154  0.0913 -6.3133 3  739.3461824  595161404513615 2    513318 2      C-13-H3C(O)CH3
  519269.8428  0.0088 -3.8656 3  345.3570584  595161404362016 1    352115 1      C-13-H3C(O)CH3
  519273.8452  0.0122 -4.6551 3  139.2149376  5951614042316 8 1    2213 9 1      C-13-H3C(O)CH3
  519279.5159  0.0079 -3.8661 3  345.3778584  595161404362016 0    352115 0      C-13-H3C(O)CH3
  519307.8094  0.0499 -5.3868 3  998.9192572  595161404711061 3    71 962 3      C-13-H3C(O)CH3
  519307.8094  0.0499 -5.6774 3  998.9192572  595161404711161 3    711062 3      C-13-H3C(O)CH3
  519307.8094  0.0499 -5.6985 3  998.9192572  595161404711161 3    71 962 3      C-13-H3C(O)CH3
  519307.8606  0.0499 -6.1324 3  998.9192572  595161404711061 4    71 962 4      C-13-H3C(O)CH3
  519307.8606  0.0499 -5.4728 3  998.9192572  595161404711061 4    711062 4      C-13-H3C(O)CH3
  519307.8606  0.0499 -6.1324 3  998.9192572  595161404711161 4    711062 4      C-13-H3C(O)CH3
  519307.8606  0.0499 -5.4728 3  998.9192572  595161404711161 4    71 962 4      C-13-H3C(O)CH3
  519318.5923  0.0550 -5.3916 3  532.9608356  595161404442816 4    432914 4      C-13-H3C(O)CH3
  519334.3017  0.0106 -5.5145 3   97.9730312  5951614041916 3 2    1813 5 2      C-13-H3C(O)CH3
  519349.4770  0.3040 -6.3895 3 1101.0033A16  595161404634024 0    633727 0      C-13-H3C(O)CH3
  519352.9631  0.0100 -5.5092 3   97.9055312  5951614041916 4 2    1813 6 2      C-13-H3C(O)CH3
  519362.9256  0.0516 -6.1588 3  945.1740904  595161404564611 1    5547 8 1      C-13-H3C(O)CH3
  519386.3677  0.0070 -4.0705 3  160.0235408  595161404251411 2    241312 2      C-13-H3C(O)CH3
  519392.1779  0.1224 -6.4732 3 1692.1532692  595161404862462 4    862463 4      C-13-H3C(O)CH3
  519392.1779  0.1224 -6.4732 3 1692.1532692  595161404862562 4    862363 4      C-13-H3C(O)CH3
  519392.1838  0.1224 -6.4740 3 1692.1532692  595161404862462 3    862363 3      C-13-H3C(O)CH3
  519392.1838  0.1224 -6.4740 3 1692.1532692  595161404862562 3    862463 3      C-13-H3C(O)CH3
  519399.1879  0.0103 -5.4735 3   97.9457312  5951614041916 4 0    1813 5 0      C-13-H3C(O)CH3
  519418.2595  0.0707 -6.4606 3  945.1845452  595161404564611 4    5547 9 4      C-13-H3C(O)CH3
  519421.6127  0.1434 -6.1711 3 1692.1307D84  595161404862462 1    862363 1      C-13-H3C(O)CH3
  519421.6127  0.1434 -6.1711 3 1692.1307D84  595161404862562 1    862463 1      C-13-H3C(O)CH3
  519429.6967  0.1429 -6.1711 3 1692.1337D84  595161404862462 2    862463 2      C-13-H3C(O)CH3
  519429.6967  0.1429 -6.1711 3 1692.1337D84  595161404862562 2    862363 2      C-13-H3C(O)CH3
  519459.1401  0.1525 -6.1713 3 1692.1112D84  595161404862462 0    862363 0      C-13-H3C(O)CH3
  519459.1401  0.1525 -6.1713 3 1692.1112D84  595161404862562 0    862463 0      C-13-H3C(O)CH3
  519469.4723  0.0088 -4.3717 3  160.0257204  595161404251411 3    241312 3      C-13-H3C(O)CH3
  519487.7146  0.0100 -4.3717 3  160.0257204  595161404251411 4    241312 4      C-13-H3C(O)CH3
  519502.4371  0.0454 -6.1583 3  945.1490904  595161404564610 0    5547 9 0      C-13-H3C(O)CH3
  519502.4371  0.0454 -6.1583 3  945.1490904  595161404564611 0    5547 8 0      C-13-H3C(O)CH3
  519505.3105  0.0063 -4.0703 3  160.0254408  595161404251411 0    241312 0      C-13-H3C(O)CH3
  519519.6095  0.0064 -5.0794 3   86.0508172  59516140421 516 3    20 417 3      C-13-H3C(O)CH3
  519519.6096  0.0064 -5.0794 3   86.0508172  59516140421 616 3    20 317 3      C-13-H3C(O)CH3
  519519.8021  0.0081 -5.0794 3   86.0508172  59516140421 516 4    20 417 4      C-13-H3C(O)CH3
  519519.8022  0.0081 -5.0794 3   86.0508172  59516140421 616 4    20 317 4      C-13-H3C(O)CH3
  519556.7018  0.0567 -6.1591 3  945.1597904  595161404564611 2    5547 9 2      C-13-H3C(O)CH3
  519557.7992  0.1672 -6.0629 3  882.7899920  595161404573225 0    563522 0      C-13-H3C(O)CH3
  519566.4328  0.0308 -5.0542 3  956.2328B28  59516140470 961 0    70 962 0      C-13-H3C(O)CH3
  519566.4328  0.0308 -5.0542 3  956.2328B28  595161404701061 0    70 862 0      C-13-H3C(O)CH3
  519581.4269  0.0854 -5.8976 3  586.4899372  595161404463017 4    453114 4      C-13-H3C(O)CH3
  519583.2697  0.0545 -6.1589 3  945.1722904  595161404564610 1    5547 9 1      C-13-H3C(O)CH3
  519594.8681  0.0071 -4.0706 3  160.0276408  595161404251411 1    241312 1      C-13-H3C(O)CH3
  519624.0084  0.0632 -5.5847 3  702.0535824  595161404512923 0    503020 0      C-13-H3C(O)CH3
  519628.3141  0.0315 -5.5485 3  784.7593840  595161404523914 0    514011 0      C-13-H3C(O)CH3
  519628.3336  0.0315 -5.5485 3  784.7593840  595161404523913 0    514012 0      C-13-H3C(O)CH3
  519639.1753  0.0706 -6.4607 3  945.1827452  595161404564611 3    5547 9 3      C-13-H3C(O)CH3
  519644.0064  0.0134 -5.0455 3  573.0308744  595161404462720 0    452817 0      C-13-H3C(O)CH3
  519655.3856  0.0470 -5.5618 3  956.2028B28  595161404701061 2    70 962 2      C-13-H3C(O)CH3
  519655.3856  0.0470 -5.5856 3  956.2028B28  59516140470 961 2    70 862 2      C-13-H3C(O)CH3
  519655.3856  0.0470 -5.1953 3  956.2028B28  595161404701061 2    70 862 2      C-13-H3C(O)CH3
  519655.3856  0.0470 -5.1855 3  956.2028B28  59516140470 961 2    70 962 2      C-13-H3C(O)CH3
  519655.6971  0.0479 -5.0449 3  956.2029B28  595161404701061 1    70 862 1      C-13-H3C(O)CH3
  519655.6971  0.0479 -5.0449 3  956.2029B28  59516140470 961 1    70 962 1      C-13-H3C(O)CH3
  519670.5394  0.0646 -6.4601 3  945.1959452  595161404564610 3    5547 8 3      C-13-H3C(O)CH3
  519701.8490  0.0150 -5.0433 3  573.0152744  595161404462720 1    452817 1      C-13-H3C(O)CH3
  519744.6635  0.0448 -5.5620 3  956.1728564  59516140470 961 4    70 862 4      C-13-H3C(O)CH3
  519744.6635  0.0448 -5.7396 3  956.1728564  59516140470 961 4    70 962 4      C-13-H3C(O)CH3
  519744.6635  0.0448 -5.5620 3  956.1728564  595161404701061 4    70 962 4      C-13-H3C(O)CH3
  519744.6635  0.0448 -5.7396 3  956.1728564  595161404701061 4    70 862 4      C-13-H3C(O)CH3
  519744.7259  0.0448 -5.7887 3  956.1729564  59516140470 961 3    70 862 3      C-13-H3C(O)CH3
  519744.7259  0.0448 -5.7887 3  956.1729564  595161404701061 3    70 962 3      C-13-H3C(O)CH3
  519744.7259  0.0448 -5.5322 3  956.1729564  595161404701061 3    70 862 3      C-13-H3C(O)CH3
  519744.7259  0.0448 -5.5322 3  956.1729564  59516140470 961 3    70 962 3      C-13-H3C(O)CH3
  519753.6762  0.0351 -5.5487 3  784.7876840  595161404523913 1    514011 1      C-13-H3C(O)CH3
  519777.2626  0.0501 -5.2151 3  532.9547712  595161404442816 2    432914 2      C-13-H3C(O)CH3
  519779.3035  0.0340 -5.5483 3  784.7879840  595161404523914 2    514012 2      C-13-H3C(O)CH3
  519792.9322  0.0323 -5.5486 3  784.7728840  595161404523914 1    514012 1      C-13-H3C(O)CH3
  519808.8861  0.0539 -6.1587 3  945.1710904  595161404564610 2    5547 8 2      C-13-H3C(O)CH3
  519815.1210  0.0194 -5.0403 3  573.0076744  595161404462720 2    452817 2      C-13-H3C(O)CH3
  519840.8707  0.0198 -5.3399 3  572.9929372  595161404462720 4    452817 4      C-13-H3C(O)CH3
  519850.4803  0.0110 -4.6367 3  139.2031376  5951614042316 8 2    2213 9 2      C-13-H3C(O)CH3
  519873.4669  0.0037 -3.8685 3  417.8452348 -595161404431331 3    421230 3      C-13-H3C(O)CH3
  519873.4669  0.0037 -4.6135 3  417.8452348 -595161404431331 3    421330 3      C-13-H3C(O)CH3
  519873.4669  0.0037 -3.8381 3  417.8452348 -595161404431231 4    421330 4      C-13-H3C(O)CH3
  519873.4669  0.0037 -4.8376 3  417.8452348 -595161404431331 4    421330 4      C-13-H3C(O)CH3
  519873.4669  0.0037 -4.8376 3  417.8452348 -595161404431231 4    421230 4      C-13-H3C(O)CH3
  519873.4669  0.0037 -3.8685 3  417.8452348 -595161404431231 3    421330 3      C-13-H3C(O)CH3
  519873.4669  0.0037 -4.6135 3  417.8452348 -595161404431231 3    421230 3      C-13-H3C(O)CH3
  519873.4669  0.0037 -3.8381 3  417.8452348 -595161404431331 4    421230 4      C-13-H3C(O)CH3
  519876.1602  0.3070 -6.3920 3 1101.0148A16  595161404634024 2    633727 2      C-13-H3C(O)CH3
  519883.5520  0.0042 -6.3531 3  417.8744696 -595161404431331 1    421330 1      C-13-H3C(O)CH3
  519883.5520  0.0042 -3.4963 3  417.8744696 -595161404431231 1    421330 1      C-13-H3C(O)CH3
  519883.5520  0.0042 -6.3531 3  417.8744696 -595161404431231 1    421230 1      C-13-H3C(O)CH3
  519883.5520  0.0042 -3.4963 3  417.8744696 -595161404431331 1    421230 1      C-13-H3C(O)CH3
  519885.7319  0.0042 -3.4984 3  417.8734696 -595161404431231 2    421330 2      C-13-H3C(O)CH3
  519885.7319  0.0042 -5.6909 3  417.8734696 -595161404431331 2    421330 2      C-13-H3C(O)CH3
  519885.7319  0.0042 -5.6909 3  417.8734696 -595161404431231 2    421230 2      C-13-H3C(O)CH3
  519885.7319  0.0042 -3.4984 3  417.8734696 -595161404431331 2    421230 2      C-13-H3C(O)CH3
  519891.0607  0.0708 -6.4602 3  945.1941452  595161404564610 4    5547 8 4      C-13-H3C(O)CH3
  519895.6317  0.0033 -3.5179 3  417.9025696 -595161404431331 0    421330 0      C-13-H3C(O)CH3
  519895.6317  0.0033 -3.5377 3  417.9025696 -595161404431231 0    421230 0      C-13-H3C(O)CH3
  519895.6317  0.0033 -4.5316 3  417.9025696 -595161404431231 0    421330 0      C-13-H3C(O)CH3
  519895.6317  0.0033 -4.7988 3  417.9025696 -595161404431331 0    421230 0      C-13-H3C(O)CH3
  519897.7800  0.0227 -5.3385 3  572.9912372  595161404462720 3    452817 3      C-13-H3C(O)CH3
  519904.2281  0.0427 -5.8495 3  784.8163420  595161404523913 3    514011 3      C-13-H3C(O)CH3
  519931.2542  0.0352 -5.5487 3  784.7909840  595161404523913 2    514011 2      C-13-H3C(O)CH3
  519943.6021  0.0393 -5.8494 3  784.8014420  595161404523914 4    514012 4      C-13-H3C(O)CH3
  519951.0784  0.0074 -4.7772 3   86.0061344  59516140421 516 2    20 417 2      C-13-H3C(O)CH3
  519951.0786  0.0074 -4.7772 3   86.0061344  59516140421 616 2    20 317 2      C-13-H3C(O)CH3
  519951.1162  0.0493 -5.9863 3  532.9357356  595161404442816 3    432914 3      C-13-H3C(O)CH3
  519959.3543  0.0074 -4.7774 3   86.0067344  59516140421 516 1    20 417 1      C-13-H3C(O)CH3
  519959.3544  0.0074 -4.7774 3   86.0067344  59516140421 616 1    20 317 1      C-13-H3C(O)CH3
  519965.1030  0.0028 -3.7916 3  457.5084412  59516140451 448 4    50 447 4      C-13-H3C(O)CH3
  519965.1030  0.0028 -4.2313 3  457.5084412  59516140451 348 4    50 447 4      C-13-H3C(O)CH3
  519965.1089  0.0028 -5.0378 3  457.5083412 -59516140451 348 3    50 447 3      C-13-H3C(O)CH3
  519965.1089  0.0028 -3.7916 3  457.5084412 -59516140451 348 4    50 347 4      C-13-H3C(O)CH3
  519965.1089  0.0028 -3.6754 3  457.5083412 -59516140451 448 3    50 447 3      C-13-H3C(O)CH3
  519965.1089  0.0028 -4.2313 3  457.5084412 -59516140451 448 4    50 347 4      C-13-H3C(O)CH3
  519965.1121  0.0028 -5.0378 3  457.5083412  59516140451 448 3    50 347 3      C-13-H3C(O)CH3
  519965.1121  0.0028 -3.6754 3  457.5083412  59516140451 348 3    50 347 3      C-13-H3C(O)CH3
  519992.7104  0.2647 -6.3927 3 1101.0129A16  595161404634024 1    633727 1      C-13-H3C(O)CH3
  519996.6822  0.0038 -3.7120 3  457.5023824  59516140451 448 1    50 447 1      C-13-H3C(O)CH3
  519996.6822  0.0038 -3.6080 3  457.5023824  59516140451 348 1    50 447 1      C-13-H3C(O)CH3
  519996.7304  0.0037 -3.5433 3  457.5019824 -59516140451 448 2    50 347 2      C-13-H3C(O)CH3
  519996.7304  0.0038 -3.6080 3  457.5023824 -59516140451 448 1    50 347 1      C-13-H3C(O)CH3
  519996.7304  0.0038 -3.7120 3  457.5023824 -59516140451 348 1    50 347 1      C-13-H3C(O)CH3
  519996.7304  0.0037 -3.8112 3  457.5019824 -59516140451 348 2    50 347 2      C-13-H3C(O)CH3
  519996.7864  0.0037 -3.5433 3  457.5019824  59516140451 348 2    50 447 2      C-13-H3C(O)CH3
  519996.7864  0.0037 -3.8112 3  457.5019824  59516140451 448 2    50 447 2      C-13-H3C(O)CH3
  520011.8975  0.0131 -5.6644 3  114.5896172  5951614042115 7 4    2012 9 4      C-13-H3C(O)CH3
  520028.2490  0.0029 -3.3790 3  457.4959824 -59516140451 448 0    50 347 0      C-13-H3C(O)CH3
  520028.2490  0.0029 -4.6403 3  457.4959824 -59516140451 448 0    50 447 0      C-13-H3C(O)CH3
  520028.2490  0.0029 -4.6403 3  457.4959824 -59516140451 348 0    50 347 0      C-13-H3C(O)CH3
  520028.2490  0.0029 -3.3790 3  457.4959824 -59516140451 348 0    50 447 0      C-13-H3C(O)CH3
  520058.0049  0.0477 -5.8499 3  784.8192420  595161404523913 4    514011 4      C-13-H3C(O)CH3
  520066.3442  0.0292 -5.0130 3  914.0742B12  59516140469 961 0    69 862 0      C-13-H3C(O)CH3
  520066.3442  0.0292 -5.0053 3  914.0742B12  59516140469 861 0    69 762 0      C-13-H3C(O)CH3
  520095.8281  0.0415 -5.8497 3  784.8045420  595161404523914 3    514012 3      C-13-H3C(O)CH3
  520100.6854  0.0582 -5.5797 3  702.0315824  595161404512923 1    503020 1      C-13-H3C(O)CH3
  520109.7272  0.1187 -6.4113 3 1640.7476684  595161404852362 3    852363 3      C-13-H3C(O)CH3
  520109.7272  0.1187 -6.4113 3 1640.7476684  595161404852462 3    852263 3      C-13-H3C(O)CH3
  520109.7441  0.1187 -6.3812 3 1640.7476684  595161404852362 4    852263 4      C-13-H3C(O)CH3
  520109.7441  0.1187 -6.3812 3 1640.7476684  595161404852462 4    852363 4      C-13-H3C(O)CH3
  520111.6084  0.0529 -5.0056 3  914.0425B12  59516140469 861 1    69 862 1      C-13-H3C(O)CH3
  520111.6084  0.0529 -5.9682 3  914.0425B12  59516140469 961 1    69 862 1      C-13-H3C(O)CH3
  520111.6084  0.0529 -5.0499 3  914.0425B12  59516140469 961 1    69 762 1      C-13-H3C(O)CH3
  520111.7012  0.0523 -5.7962 3  914.0424B12  59516140469 961 2    69 762 2      C-13-H3C(O)CH3
  520111.7012  0.0523 -5.7962 3  914.0424B12  59516140469 861 2    69 862 2      C-13-H3C(O)CH3
  520111.7012  0.0523 -5.0762 3  914.0424B12  59516140469 861 2    69 762 2      C-13-H3C(O)CH3
  520111.7012  0.0523 -5.0762 3  914.0424B12  59516140469 961 2    69 862 2      C-13-H3C(O)CH3
  520126.8649  0.1480 -6.2029 3 1640.7243D68  595161404852462 1    852363 1      C-13-H3C(O)CH3
  520126.8649  0.1480 -6.2029 3 1640.7243D68  595161404852362 1    852263 1      C-13-H3C(O)CH3
  520135.7448  0.1469 -6.1942 3 1640.7267D68  595161404852362 2    852363 2      C-13-H3C(O)CH3
  520135.7448  0.1469 -6.1942 3 1640.7267D68  595161404852462 2    852263 2      C-13-H3C(O)CH3
  520152.9121  0.1487 -6.1749 3 1640.7035D68  595161404852462 0    852363 0      C-13-H3C(O)CH3
  520152.9121  0.1487 -6.1749 3 1640.7035D68  595161404852362 0    852263 0      C-13-H3C(O)CH3
  520156.7952  0.0401 -5.3243 3  914.0107556  59516140469 861 4    69 762 4      C-13-H3C(O)CH3
  520156.7952  0.0401 -5.3243 3  914.0107556  59516140469 961 4    69 862 4      C-13-H3C(O)CH3
  520156.9990  0.0401 -5.5890 3  914.0107556  59516140469 861 3    69 762 3      C-13-H3C(O)CH3
  520156.9990  0.0401 -5.6160 3  914.0107556  59516140469 861 3    69 862 3      C-13-H3C(O)CH3
  520156.9990  0.0401 -5.5890 3  914.0107556  59516140469 961 3    69 862 3      C-13-H3C(O)CH3
  520156.9990  0.0401 -5.6160 3  914.0107556  59516140469 961 3    69 762 3      C-13-H3C(O)CH3
  520172.6241  0.0067 -3.4225 3  215.8778212  5951614042626 0 4    2525 0 4      C-13-H3C(O)CH3
  520258.7514  0.4332 -6.4446 3 1088.1357A16  595161404633726 1    633429 1      C-13-H3C(O)CH3
  520290.6119  0.0297 -5.3776 3  532.9390712  595161404442816 1    432914 1      C-13-H3C(O)CH3
  520296.9651  0.0583 -5.5399 3  507.2216348  595161404432716 4    422814 4      C-13-H3C(O)CH3
  520324.9839  0.0102 -6.1143 3   63.7374164  59516140420 218 3    19 019 3      C-13-H3C(O)CH3
  520324.9839  0.0102 -6.1143 3   63.7374164  59516140420 318 3    19 119 3      C-13-H3C(O)CH3
  520325.6433  0.0119 -6.1178 3   63.7374164  59516140420 318 4    19 019 4      C-13-H3C(O)CH3
  520325.6433  0.0119 -6.1178 3   63.7374164  59516140420 218 4    19 119 4      C-13-H3C(O)CH3
  520331.3548  0.1067 -5.5771 3  702.0218824  595161404512923 2    503020 2      C-13-H3C(O)CH3
  520331.5938  0.0055 -3.1214 3  215.9441424 -5951614042626 0 2    2525 0 2      C-13-H3C(O)CH3
  520366.2395  0.0059 -3.1213 3  215.9267424 -5951614042626 0 1    2525 0 1      C-13-H3C(O)CH3
  520389.8572  0.0071 -4.7761 3   85.9621344  59516140421 516 0    20 417 0      C-13-H3C(O)CH3
  520389.8573  0.0071 -4.7761 3   85.9621344  59516140421 616 0    20 317 0      C-13-H3C(O)CH3
  520404.6353  0.6148 -6.4449 3 1088.1382A16  595161404633726 2    633429 2      C-13-H3C(O)CH3
  520405.0684  0.0640 -5.3864 3  586.4737744  595161404463017 2    453114 2      C-13-H3C(O)CH3
  520416.8696  0.0104 -4.5969 3  139.1960376  5951614042316 8 0    2213 9 0      C-13-H3C(O)CH3
  520425.5563  0.0065 -3.4221 3  215.8466212  5951614042626 1 3    2525 1 3      C-13-H3C(O)CH3
  520472.4866  0.0064 -3.4220 3  215.8673212  5951614042626 0 3    2525 0 3      C-13-H3C(O)CH3
  520474.2381  0.1048 -6.4141 3  911.0138468  595161404583226 3    573523 3      C-13-H3C(O)CH3
  520517.1428  0.0911 -6.4143 3  911.0124468  595161404583226 4    573523 4      C-13-H3C(O)CH3
  520525.8652  0.0053 -3.1211 3  215.9931424 -5951614042626 0 0    2525 0 0      C-13-H3C(O)CH3
  520525.8652  0.0053 -3.1211 3  215.9931424 -5951614042626 1 0    2525 1 0      C-13-H3C(O)CH3
  520527.4448  0.0099 -5.4728 3   97.9081312  5951614041916 3 0    1813 6 0      C-13-H3C(O)CH3
  520542.8822  0.0357 -5.2798 3  872.4339548  59516140468 861 4    68 662 4      C-13-H3C(O)CH3
  520542.8822  0.0357 -5.2798 3  872.4339548  59516140468 761 4    68 762 4      C-13-H3C(O)CH3
  520543.2446  0.0357 -5.4399 3  872.4339548  59516140468 761 3    68 762 3      C-13-H3C(O)CH3
  520543.2446  0.0357 -5.7592 3  872.4339548  59516140468 761 3    68 662 3      C-13-H3C(O)CH3
  520543.2446  0.0357 -5.4399 3  872.4339548  59516140468 861 3    68 662 3      C-13-H3C(O)CH3
  520543.2446  0.0357 -5.7592 3  872.4339548  59516140468 861 3    68 762 3      C-13-H3C(O)CH3
  520556.5299  0.0464 -5.3228 3  559.3856364  595161404452916 4    443014 4      C-13-H3C(O)CH3
  520558.7048  0.0112 -4.6499 3  150.8616196  5951614042416 9 4    231310 4      C-13-H3C(O)CH3
  520558.8991  0.0574 -6.2250 3  872.4652A96  59516140468 761 1    68 662 1      C-13-H3C(O)CH3
  520558.8991  0.0574 -4.9936 3  872.4652A96  59516140468 861 1    68 662 1      C-13-H3C(O)CH3
  520558.8991  0.0574 -6.2250 3  872.4652A96  59516140468 861 1    68 762 1      C-13-H3C(O)CH3
  520558.8991  0.0574 -4.9936 3  872.4652A96  59516140468 761 1    68 762 1      C-13-H3C(O)CH3
  520559.5559  0.0572 -5.6391 3  872.4650A96  59516140468 761 2    68 662 2      C-13-H3C(O)CH3
  520559.5559  0.0572 -5.0732 3  872.4650A96  59516140468 761 2    68 762 2      C-13-H3C(O)CH3
  520559.5559  0.0572 -5.0732 3  872.4650A96  59516140468 861 2    68 662 2      C-13-H3C(O)CH3
  520559.5559  0.0572 -5.6391 3  872.4650A96  59516140468 861 2    68 762 2      C-13-H3C(O)CH3
  520575.1853  0.0300 -4.9689 3  872.4963A96  59516140468 861 0    68 662 0      C-13-H3C(O)CH3
  520575.1853  0.0300 -4.9689 3  872.4963A96  59516140468 761 0    68 762 0      C-13-H3C(O)CH3
  520580.9160  0.0046 -3.7383 3  341.5436584  595161404362017 1    351916 1      C-13-H3C(O)CH3
  520584.8013  0.0053 -3.1209 3  215.9128424 -5951614042626 1 2    2525 1 2      C-13-H3C(O)CH3
  520614.1491  0.0041 -4.0393 3  341.5142292  595161404362017 4    351916 4      C-13-H3C(O)CH3
  520617.8720  0.0050 -4.0393 3  341.5141292  595161404362017 3    351916 3      C-13-H3C(O)CH3
  520631.5555  0.0039 -3.7385 3  341.5648584  595161404362017 0    351916 0      C-13-H3C(O)CH3
  520657.8665  0.0636 -6.0741 3  795.3125872  595161404543223 0    542926 0      C-13-H3C(O)CH3
  520666.4179  0.0056 -3.1208 3  215.9161424 -5951614042626 1 1    2525 1 1      C-13-H3C(O)CH3
  520668.0953  0.0682 -6.0737 3  795.3117872  595161404543223 2    542926 2      C-13-H3C(O)CH3
  520668.2621  0.0043 -3.7385 3  341.5353584  595161404362017 2    351916 2      C-13-H3C(O)CH3
  520683.3353  0.1836 -6.2894 3  968.1915968  595161404603328 0    593425 0      C-13-H3C(O)CH3
  520686.1607  0.0666 -6.0735 3  795.3121872  595161404543223 1    542926 1      C-13-H3C(O)CH3
  520694.1379  0.0706 -6.3742 3  795.3113436  595161404543223 4    542926 4      C-13-H3C(O)CH3
  520703.3414  0.0693 -6.3742 3  795.3113436  595161404543223 3    542926 3      C-13-H3C(O)CH3
  520719.5416  0.0509 -5.4553 3  507.2223696  595161404432716 2    422814 2      C-13-H3C(O)CH3
  520723.1280  0.0432 -5.1155 3  532.9099356  595161404442816 3    432915 3      C-13-H3C(O)CH3
  520724.9574  0.0069 -3.4215 3  215.8361212  5951614042626 1 4    2525 1 4      C-13-H3C(O)CH3
  520745.8752  0.1235 -6.1133 3  911.0013936  595161404583226 1    573523 1      C-13-H3C(O)CH3
  520770.2650  0.1274 -6.1127 3  911.0014936  595161404583226 2    573523 2      C-13-H3C(O)CH3
  520776.8118  0.0495 -6.3797 3  507.2038348  595161404432716 3    422814 3      C-13-H3C(O)CH3
  520792.4177  0.1041 -5.8733 3  702.0003412  595161404512923 4    503020 4      C-13-H3C(O)CH3
  520802.5870  0.0098 -4.6361 3  150.8608196  5951614042416 9 3    231310 3      C-13-H3C(O)CH3
  520807.4353  0.1159 -6.2923 3 1589.9114676  595161404842362 3    842263 3      C-13-H3C(O)CH3
  520807.4353  0.1159 -6.2923 3 1589.9114676  595161404842262 3    842163 3      C-13-H3C(O)CH3
  520807.4772  0.1159 -6.3652 3 1589.9114676  595161404842362 4    842263 4      C-13-H3C(O)CH3
  520807.4772  0.1159 -6.3652 3 1589.9114676  595161404842262 4    842163 4      C-13-H3C(O)CH3
  520810.3969  0.1557 -6.0081 3 1589.8880D52  595161404842362 1    842163 1      C-13-H3C(O)CH3
  520810.3969  0.1557 -6.0532 3 1589.8880D52  595161404842262 1    842263 1      C-13-H3C(O)CH3
  520814.7929  0.1069 -5.8730 3  701.9996412  595161404512923 3    503020 3      C-13-H3C(O)CH3
  520819.6241  0.1541 -6.2179 3 1589.8900D52  595161404842262 2    842163 2      C-13-H3C(O)CH3
  520819.6241  0.1541 -6.3816 3 1589.8900D52  595161404842262 2    842263 2      C-13-H3C(O)CH3
  520819.6241  0.1541 -6.2179 3 1589.8900D52  595161404842362 2    842263 2      C-13-H3C(O)CH3
  520819.6241  0.1541 -6.3816 3 1589.8900D52  595161404842362 2    842163 2      C-13-H3C(O)CH3
  520822.6310  0.1479 -6.0346 3 1589.8666D52  595161404842262 0    842163 0      C-13-H3C(O)CH3
  520822.6310  0.1479 -6.0346 3 1589.8666D52  595161404842362 0    842263 0      C-13-H3C(O)CH3
  520872.0425  0.0423 -5.2856 3  586.4561744  595161404463017 1    453114 1      C-13-H3C(O)CH3
  520872.0606  0.0037 -3.7803 3  426.3669356 -595161404441133 3    431132 3      C-13-H3C(O)CH3
  520872.0606  0.0037 -3.7803 3  426.3669356 -595161404441233 3    431232 3      C-13-H3C(O)CH3
  520872.0606  0.0037 -3.7806 3  426.3669356 -595161404441133 4    431132 4      C-13-H3C(O)CH3
  520872.0606  0.0037 -3.7806 3  426.3669356 -595161404441233 4    431232 4      C-13-H3C(O)CH3
  520884.8174  0.0042 -3.4803 3  426.3958712 -595161404441233 1    431132 1      C-13-H3C(O)CH3
  520884.8174  0.0042 -6.0475 3  426.3958712 -595161404441133 1    431132 1      C-13-H3C(O)CH3
  520884.8174  0.0042 -6.0475 3  426.3958712 -595161404441233 1    431232 1      C-13-H3C(O)CH3
  520884.8174  0.0042 -3.4803 3  426.3958712 -595161404441133 1    431232 1      C-13-H3C(O)CH3
  520886.5160  0.0042 -5.8200 3  426.3949712 -595161404441133 2    431232 2      C-13-H3C(O)CH3
  520886.5160  0.0042 -3.4812 3  426.3949712 -595161404441133 2    431132 2      C-13-H3C(O)CH3
  520886.5160  0.0042 -5.8200 3  426.3949712 -595161404441233 2    431132 2      C-13-H3C(O)CH3
  520886.5160  0.0042 -3.4812 3  426.3949712 -595161404441233 2    431232 2      C-13-H3C(O)CH3
  520899.1498  0.0032 -3.8269 3  426.4238712 -595161404441233 0    431232 0      C-13-H3C(O)CH3
  520899.1498  0.0032 -3.8269 3  426.4238712 -595161404441133 0    431132 0      C-13-H3C(O)CH3
  520899.1498  0.0032 -3.7381 3  426.4238712 -595161404441133 0    431232 0      C-13-H3C(O)CH3
  520899.1498  0.0032 -3.7381 3  426.4238712 -595161404441233 0    431132 0      C-13-H3C(O)CH3
  520901.4228  0.0321 -5.3348 3  831.4437540  59516140467 661 4    67 562 4      C-13-H3C(O)CH3
  520901.4228  0.0321 -5.3348 3  831.4437540  59516140467 761 4    67 662 4      C-13-H3C(O)CH3
  520901.4228  0.0321 -5.9932 3  831.4437540  59516140467 761 4    67 562 4      C-13-H3C(O)CH3
  520901.4228  0.0321 -5.9932 3  831.4437540  59516140467 661 4    67 662 4      C-13-H3C(O)CH3
  520901.9378  0.0320 -5.2623 3  831.4437540  59516140467 661 3    67 562 3      C-13-H3C(O)CH3
  520901.9378  0.0320 -5.2623 3  831.4437540  59516140467 761 3    67 662 3      C-13-H3C(O)CH3
  520903.3641  0.0138 -5.7523 3   63.6657328  59516140420 218 2    19 119 2      C-13-H3C(O)CH3
  520903.3641  0.0138 -5.7523 3   63.6657328  59516140420 318 2    19 019 2      C-13-H3C(O)CH3
  520904.6691  0.0139 -5.7088 3   63.6662328  59516140420 218 1    19 019 1      C-13-H3C(O)CH3
  520904.6691  0.0139 -5.7089 3   63.6662328  59516140420 318 1    19 119 1      C-13-H3C(O)CH3
  520950.9237  0.0454 -5.1084 3  559.3741728  595161404452916 2    443014 2      C-13-H3C(O)CH3
  520966.4046  0.0521 -6.2889 3  647.7739396  595161404492722 3    492425 3      C-13-H3C(O)CH3
  520967.0473  0.0190 -4.0332 3  228.9764236  595161404292010 4    2819 9 4      C-13-H3C(O)CH3
  520968.4756  0.0526 -6.2889 3  647.7738396  595161404492722 4    492425 4      C-13-H3C(O)CH3
  520980.0518  0.0564 -5.4219 3  586.4589372  595161404463017 3    453114 3      C-13-H3C(O)CH3
  520984.0011  0.0096 -4.3409 3  150.8588392  5951614042416 9 1    231310 1      C-13-H3C(O)CH3
  520992.0867  0.0506 -5.9886 3  647.7852792  595161404492722 2    492425 2      C-13-H3C(O)CH3
  520998.9833  0.0583 -6.5170 3  831.4715A80  59516140467 761 1    67 662 1      C-13-H3C(O)CH3
  520998.9833  0.0583 -4.9593 3  831.4715A80  59516140467 761 1    67 562 1      C-13-H3C(O)CH3
  520998.9833  0.0583 -6.5170 3  831.4715A80  59516140467 661 1    67 562 1      C-13-H3C(O)CH3
  520998.9833  0.0583 -4.9593 3  831.4715A80  59516140467 661 1    67 662 1      C-13-H3C(O)CH3
  521000.2339  0.0581 -4.9608 3  831.4712A80  59516140467 661 2    67 562 2      C-13-H3C(O)CH3
  521000.2339  0.0581 -4.9608 3  831.4712A80  59516140467 761 2    67 662 2      C-13-H3C(O)CH3
  521000.2339  0.0581 -6.4634 3  831.4712A80  59516140467 761 2    67 562 2      C-13-H3C(O)CH3
  521000.2339  0.0581 -6.4634 3  831.4712A80  59516140467 661 2    67 662 2      C-13-H3C(O)CH3
  521014.6274  0.1341 -6.1129 3  910.9898936  595161404583226 0    573523 0      C-13-H3C(O)CH3
  521055.5085  0.0093 -5.5031 3  114.5776344  5951614042115 7 1    2012 9 1      C-13-H3C(O)CH3
  521059.5978  0.0299 -5.9881 3  647.7867792  595161404492722 1    492425 1      C-13-H3C(O)CH3
  521066.8467  0.4497 -6.4455 3 1088.1257A16  595161404633726 0    633429 0      C-13-H3C(O)CH3
  521083.3341  0.0296 -5.9889 3  647.7980792  595161404492722 0    492425 0      C-13-H3C(O)CH3
  521095.5982  0.0029 -3.7572 3  461.1043420  59516140452 250 3    51 349 3      C-13-H3C(O)CH3
  521095.5982  0.0029 -4.2768 3  461.1043420  59516140452 350 3    51 349 3      C-13-H3C(O)CH3
  521095.6067  0.0029 -4.8259 3  461.1044420  59516140452 250 4    51 349 4      C-13-H3C(O)CH3
  521095.6067  0.0029 -3.6719 3  461.1044420  59516140452 350 4    51 349 4      C-13-H3C(O)CH3
  521095.6279  0.0029 -3.6719 3  461.1044420 -59516140452 250 4    51 249 4      C-13-H3C(O)CH3
  521095.6279  0.0029 -4.8259 3  461.1044420 -59516140452 350 4    51 249 4      C-13-H3C(O)CH3
  521095.6279  0.0029 -4.2768 3  461.1043420 -59516140452 250 3    51 249 3      C-13-H3C(O)CH3
  521095.6279  0.0029 -3.7572 3  461.1043420 -59516140452 350 3    51 249 3      C-13-H3C(O)CH3
  521097.1690  0.0306 -5.4315 3  831.4990A80  59516140467 661 0    67 662 0      C-13-H3C(O)CH3
  521097.1690  0.0306 -5.1198 3  831.4990A80  59516140467 761 0    67 662 0      C-13-H3C(O)CH3
  521097.1690  0.0306 -5.1198 3  831.4990A80  59516140467 661 0    67 562 0      C-13-H3C(O)CH3
  521097.1690  0.0306 -5.4315 3  831.4990A80  59516140467 761 0    67 562 0      C-13-H3C(O)CH3
  521122.9390  0.0038 -3.3512 3  461.0836840 -59516140452 250 2    51 249 2      C-13-H3C(O)CH3
  521122.9390  0.0038 -4.9929 3  461.0836840 -59516140452 350 2    51 249 2      C-13-H3C(O)CH3
  521122.9390  0.0039 -3.3559 3  461.0840840 -59516140452 350 1    51 249 1      C-13-H3C(O)CH3
  521122.9390  0.0039 -3.3559 3  461.0840840 -59516140452 250 1    51 349 1      C-13-H3C(O)CH3
  521122.9524  0.0039 -4.8237 3  461.0840840  59516140452 250 1    51 249 1      C-13-H3C(O)CH3
  521122.9524  0.0039 -4.8237 3  461.0840840  59516140452 350 1    51 349 1      C-13-H3C(O)CH3
  521122.9776  0.0038 -3.3512 3  461.0836840  59516140452 350 2    51 349 2      C-13-H3C(O)CH3
  521122.9776  0.0038 -4.9929 3  461.0836840  59516140452 250 2    51 349 2      C-13-H3C(O)CH3
  521138.7091  0.0195 -5.4184 3  127.9675180  5951614042216 7 4    2113 8 4      C-13-H3C(O)CH3
  521150.2003  0.0030 -3.4965 3  461.0632840 -59516140452 350 0    51 249 0      C-13-H3C(O)CH3
  521150.2003  0.0030 -3.8636 3  461.0632840 -59516140452 250 0    51 249 0      C-13-H3C(O)CH3
  521150.2003  0.0030 -3.4965 3  461.0632840 -59516140452 250 0    51 349 0      C-13-H3C(O)CH3
  521150.2003  0.0030 -3.8636 3  461.0632840 -59516140452 350 0    51 349 0      C-13-H3C(O)CH3
  521185.7905  0.0498 -5.7134 3  559.3563364  595161404452916 3    443014 3      C-13-H3C(O)CH3
  521191.8929  0.1165 -6.3725 3  763.3749428  595161404533023 3    532726 3      C-13-H3C(O)CH3
  521195.7817  0.1171 -6.3725 3  763.3749428  595161404533023 4    532726 4      C-13-H3C(O)CH3
  521209.2767  0.2542 -6.2857 3  968.1840968  595161404603328 2    593425 2      C-13-H3C(O)CH3
  521223.7328  0.1698 -6.2858 3  968.1821968  595161404603328 1    593425 1      C-13-H3C(O)CH3
  521223.7344  0.0467 -5.9679 3  901.1947888  595161404554412 1    5445 9 1      C-13-H3C(O)CH3
  521230.8051  0.0304 -5.2408 3  791.0415532  59516140466 561 4    66 462 4      C-13-H3C(O)CH3
  521230.8051  0.0304 -5.2408 3  791.0415532  59516140466 661 4    66 562 4      C-13-H3C(O)CH3
  521231.4254  0.0301 -5.4689 3  791.0414532  59516140466 561 3    66 462 3      C-13-H3C(O)CH3
  521231.4254  0.0301 -5.4689 3  791.0414532  59516140466 661 3    66 562 3      C-13-H3C(O)CH3
  521231.4254  0.0301 -5.6294 3  791.0414532  59516140466 661 3    66 462 3      C-13-H3C(O)CH3
  521231.4254  0.0301 -5.6294 3  791.0414532  59516140466 561 3    66 562 3      C-13-H3C(O)CH3
  521246.6733  0.0361 -4.9469 3  532.9057712  595161404442816 2    432915 2      C-13-H3C(O)CH3
  521253.0712  0.0231 -4.7593 3  532.9181712  595161404442816 0    432915 0      C-13-H3C(O)CH3
  521270.4269  0.0098 -3.6250 3  228.9895472  595161404292010 1    2819 9 1      C-13-H3C(O)CH3
  521271.1492  0.0389 -5.9675 3  901.1694888  595161404554412 0    544510 0      C-13-H3C(O)CH3
  521271.1492  0.0389 -5.9675 3  901.1694888  595161404554411 0    5445 9 0      C-13-H3C(O)CH3
  521273.8398  0.0267 -5.7796 3  507.2101696  595161404432716 1    422814 1      C-13-H3C(O)CH3
  521354.3987  0.0247 -4.8792 3  532.9035712  595161404442816 1    432915 1      C-13-H3C(O)CH3
  521355.6099  0.0385 -5.5776 3  586.4464372  595161404463017 3    453115 3      C-13-H3C(O)CH3
  521366.7215  0.0090 -4.3413 3  150.8478392  5951614042416 9 2    231310 2      C-13-H3C(O)CH3
  521371.5415  0.0094 -3.8410 3  228.9704236  595161404292010 3    2819 9 3      C-13-H3C(O)CH3
  521371.7431  0.0319 -5.1893 3  559.3569728  595161404452916 1    443014 1      C-13-H3C(O)CH3
  521396.6874  0.0604 -6.2696 3  901.2100444  595161404554412 4    544510 4      C-13-H3C(O)CH3
  521417.2310  0.1174 -6.0720 3  763.3773856  595161404533023 2    532726 2      C-13-H3C(O)CH3
  521417.8516  0.0140 -5.9594 3  514.4398712  595161404442321 0    442024 0      C-13-H3C(O)CH3
  521418.6659  0.0476 -5.9679 3  901.1904888  595161404554411 1    544510 1      C-13-H3C(O)CH3
  521421.7145  0.0220 -6.2414 3  107.3008164  5951614042016 5 4    1913 6 4      C-13-H3C(O)CH3
  521423.7717  0.0088 -5.5792 3  114.5745344  5951614042115 7 2    2012 9 2      C-13-H3C(O)CH3
  521427.6160  0.0255 -4.8908 3  586.4416744  595161404463017 0    453114 0      C-13-H3C(O)CH3
  521433.3542  0.0542 -5.2672 3  791.0619A64  59516140466 561 1    66 562 1      C-13-H3C(O)CH3
  521433.3542  0.0542 -5.2151 3  791.0619A64  59516140466 561 1    66 462 1      C-13-H3C(O)CH3
  521433.3542  0.0542 -5.2151 3  791.0619A64  59516140466 661 1    66 562 1      C-13-H3C(O)CH3
  521433.3542  0.0542 -5.2672 3  791.0619A64  59516140466 661 1    66 462 1      C-13-H3C(O)CH3
  521435.0478  0.0536 -4.9593 3  791.0616A64  59516140466 561 2    66 462 2      C-13-H3C(O)CH3
  521435.0478  0.0536 -4.9593 3  791.0616A64  59516140466 661 2    66 562 2      C-13-H3C(O)CH3
  521435.0478  0.0536 -6.2855 3  791.0616A64  59516140466 561 2    66 562 2      C-13-H3C(O)CH3
  521435.0478  0.0536 -6.2855 3  791.0616A64  59516140466 661 2    66 462 2      C-13-H3C(O)CH3
  521442.4109  0.0468 -5.9681 3  901.1848888  595161404554412 2    544510 2      C-13-H3C(O)CH3
  521450.8775  0.0201 -5.9594 3  514.4158712  595161404442321 2    442024 2      C-13-H3C(O)CH3
  521469.1217  0.1480 -5.9049 3 1539.6017D36  595161404832262 0    832163 0      C-13-H3C(O)CH3
  521469.1217  0.1480 -5.9049 3 1539.6017D36  595161404832162 0    832063 0      C-13-H3C(O)CH3
  521472.8395  0.1632 -6.3189 3 1539.6229D36  595161404832162 1    832063 1      C-13-H3C(O)CH3
  521472.8395  0.1632 -6.1151 3 1539.6229D36  595161404832162 1    832163 1      C-13-H3C(O)CH3
  521472.8395  0.1632 -6.1151 3 1539.6229D36  595161404832262 1    832063 1      C-13-H3C(O)CH3
  521472.8395  0.1632 -6.3189 3 1539.6229D36  595161404832262 1    832163 1      C-13-H3C(O)CH3
  521481.6639  0.0136 -5.7273 3   63.5947328  59516140420 318 0    19 019 0      C-13-H3C(O)CH3
  521481.6639  0.0136 -5.7273 3   63.5947328  59516140420 218 0    19 119 0      C-13-H3C(O)CH3
  521481.9903  0.1614 -6.0030 3 1539.6244D36  595161404832262 2    832063 2      C-13-H3C(O)CH3
  521481.9903  0.1614 -6.0030 3 1539.6244D36  595161404832162 2    832163 2      C-13-H3C(O)CH3
  521482.8411  0.0707 -6.0718 3  763.3780856  595161404533023 1    532726 1      C-13-H3C(O)CH3
  521485.7698  0.1133 -6.2408 3 1539.6456668  595161404832162 3    832163 3      C-13-H3C(O)CH3
  521485.7698  0.1133 -6.2408 3 1539.6456668  595161404832262 3    832063 3      C-13-H3C(O)CH3
  521485.8385  0.1133 -6.3281 3 1539.6457668  595161404832262 4    832163 4      C-13-H3C(O)CH3
  521485.8385  0.1133 -6.3281 3 1539.6457668  595161404832162 4    832063 4      C-13-H3C(O)CH3
  521488.4767  0.0214 -6.2292 3  528.2467712  595161404442718 2    432816 2      C-13-H3C(O)CH3
  521503.0036  0.0150 -5.9586 3  514.4179712  595161404442321 1    442024 1      C-13-H3C(O)CH3
  521529.3331  0.0329 -6.0140 3  751.2285524  59516140465 561 4    65 462 4      C-13-H3C(O)CH3
  521529.3331  0.0329 -5.3342 3  751.2285524  59516140465 461 4    65 462 4      C-13-H3C(O)CH3
  521529.3331  0.0329 -6.0140 3  751.2285524  59516140465 461 4    65 362 4      C-13-H3C(O)CH3
  521529.3331  0.0329 -5.3342 3  751.2285524  59516140465 561 4    65 362 4      C-13-H3C(O)CH3
  521529.9431  0.0324 -5.6908 3  751.2284524  59516140465 561 3    65 362 3      C-13-H3C(O)CH3
  521529.9431  0.0324 -5.4483 3  751.2284524  59516140465 461 3    65 362 3      C-13-H3C(O)CH3
  521529.9431  0.0324 -5.4483 3  751.2284524  59516140465 561 3    65 462 3      C-13-H3C(O)CH3
  521529.9431  0.0324 -5.6908 3  751.2284524  59516140465 461 3    65 462 3      C-13-H3C(O)CH3
  521534.2832  0.0588 -6.2691 3  901.2211444  595161404554411 3    5445 9 3      C-13-H3C(O)CH3
  521536.0648  0.0211 -6.2595 3  514.3939356  595161404442321 3    442024 3      C-13-H3C(O)CH3
  521536.6470  0.0213 -6.2595 3  514.3939356  595161404442321 4    442024 4      C-13-H3C(O)CH3
  521543.2215  0.0218 -6.1624 3  528.2309356  595161404442718 4    432816 4      C-13-H3C(O)CH3
  521562.5179  0.0066 -3.5243 3  228.9890472  595161404292010 2    2819 9 2      C-13-H3C(O)CH3
  521580.6468  0.0475 -5.9676 3  901.1957888  595161404554411 2    5445 9 2      C-13-H3C(O)CH3
  521591.4633  0.0604 -6.2695 3  901.2057444  595161404554412 3    544510 3      C-13-H3C(O)CH3
  521598.0564  0.0401 -5.3341 3  532.8848356  595161404442816 4    432915 4      C-13-H3C(O)CH3
  521606.7082  0.0111 -5.4593 3  139.2149376  5951614042316 7 1    2213 9 1      C-13-H3C(O)CH3
  521636.7350  0.0300 -4.9410 3  791.0821A64  59516140466 661 0    66 562 0      C-13-H3C(O)CH3
  521636.7350  0.0300 -4.9410 3  791.0821A64  59516140466 561 0    66 462 0      C-13-H3C(O)CH3
  521666.5227  0.0089 -4.3395 3  150.8455392  5951614042416 9 0    231310 0      C-13-H3C(O)CH3
  521676.0479  0.0148 -5.5124 3  139.2226188  5951614042316 7 4    2213 9 4      C-13-H3C(O)CH3
  521678.8128  0.0031 -3.4928 3  229.0049472  595161404292010 0    2819 9 0      C-13-H3C(O)CH3
  521685.1898  0.0441 -5.2534 3  559.3396364  595161404452916 3    443015 3      C-13-H3C(O)CH3
  521703.0014  0.0730 -6.0724 3  763.3804856  595161404533023 0    532726 0      C-13-H3C(O)CH3
  521706.0253  0.0318 -5.0573 3  586.4303744  595161404463017 2    453115 2      C-13-H3C(O)CH3
  521707.3226  0.0140 -5.9590 3  514.4398712  595161404442421 0    442124 0      C-13-H3C(O)CH3
  521728.9100  0.0632 -6.2690 3  901.2167444  595161404554411 4    5445 9 4      C-13-H3C(O)CH3
  521754.4911  0.0193 -5.9590 3  514.4158712  595161404442421 2    442124 2      C-13-H3C(O)CH3
  521795.2585  0.0417 -5.2944 3  712.0061516  59516140464 461 4    64 362 4      C-13-H3C(O)CH3
  521795.2585  0.0417 -5.2944 3  712.0061516  59516140464 361 4    64 262 4      C-13-H3C(O)CH3
  521795.6376  0.0411 -5.8292 3  712.0060516  59516140464 361 3    64 262 3      C-13-H3C(O)CH3
  521795.6376  0.0411 -5.4411 3  712.0060516  59516140464 361 3    64 362 3      C-13-H3C(O)CH3
  521795.6376  0.0411 -5.4411 3  712.0060516  59516140464 461 3    64 262 3      C-13-H3C(O)CH3
  521795.6376  0.0411 -5.8292 3  712.0060516  59516140464 461 3    64 362 3      C-13-H3C(O)CH3
  521800.0560  0.0152 -5.9582 3  514.4179712  595161404442421 1    442124 1      C-13-H3C(O)CH3
  521819.7650  0.0379 -5.2862 3  586.4153372  595161404463017 4    453115 4      C-13-H3C(O)CH3
  521820.0372  0.0264 -5.1145 3  586.4245744  595161404463017 1    453115 1      C-13-H3C(O)CH3
  521847.6686  0.0204 -6.2591 3  514.3939356  595161404442421 4    442124 4      C-13-H3C(O)CH3
  521847.7232  0.0202 -6.2591 3  514.3939356  595161404442421 3    442124 3      C-13-H3C(O)CH3
  521863.5795  0.0475 -5.7584 3  751.2370A48  59516140465 461 1    65 462 1      C-13-H3C(O)CH3
  521863.5795  0.0475 -5.0235 3  751.2370A48  59516140465 461 1    65 362 1      C-13-H3C(O)CH3
  521863.5795  0.0475 -5.0235 3  751.2370A48  59516140465 561 1    65 462 1      C-13-H3C(O)CH3
  521863.5795  0.0475 -5.7584 3  751.2370A48  59516140465 561 1    65 362 1      C-13-H3C(O)CH3
  521865.3307  0.0452 -4.9793 3  751.2366A48  59516140465 461 2    65 462 2      C-13-H3C(O)CH3
  521865.3307  0.0452 -4.9793 3  751.2366A48  59516140465 561 2    65 362 2      C-13-H3C(O)CH3
  521865.3307  0.0452 -6.1370 3  751.2366A48  59516140465 561 2    65 462 2      C-13-H3C(O)CH3
  521865.3307  0.0452 -6.1370 3  751.2366A48  59516140465 461 2    65 362 2      C-13-H3C(O)CH3
  521897.7225  0.0043 -3.5038 3  218.3943220  5951614042724 3 4    2623 3 4      C-13-H3C(O)CH3
  521899.3052  0.0106 -5.6399 3  139.2031376  5951614042316 7 2    2213 9 2      C-13-H3C(O)CH3
  521902.2955  0.0035 -5.2886 3  434.3343364 -595161404451135 3    441134 3      C-13-H3C(O)CH3
  521902.2955  0.0035 -3.7960 3  434.3343364 -595161404451035 4    441034 4      C-13-H3C(O)CH3
  521902.2955  0.0035 -4.9243 3  434.3343364 -595161404451035 4    441134 4      C-13-H3C(O)CH3
  521902.2955  0.0035 -3.7960 3  434.3343364 -595161404451135 4    441134 4      C-13-H3C(O)CH3
  521902.2955  0.0035 -3.7780 3  434.3343364 -595161404451135 3    441034 3      C-13-H3C(O)CH3
  521902.2955  0.0035 -4.9243 3  434.3343364 -595161404451135 4    441034 4      C-13-H3C(O)CH3
  521902.2955  0.0035 -5.2886 3  434.3343364 -595161404451035 3    441034 3      C-13-H3C(O)CH3
  521902.2955  0.0035 -3.7780 3  434.3343364 -595161404451035 3    441134 3      C-13-H3C(O)CH3
  521918.1099  0.0043 -3.4730 3  434.3626728 -595161404451035 1    441134 1      C-13-H3C(O)CH3
  521918.1099  0.0043 -3.4730 3  434.3626728 -595161404451135 1    441034 1      C-13-H3C(O)CH3
  521918.1347  0.0043 -5.1400 3  434.3626728  595161404451135 1    441134 1      C-13-H3C(O)CH3
  521918.1347  0.0043 -5.1400 3  434.3626728  595161404451035 1    441034 1      C-13-H3C(O)CH3
  521919.6652  0.0042 -3.4749 3  434.3618728 -595161404451035 2    441134 2      C-13-H3C(O)CH3
  521919.6652  0.0042 -3.4749 3  434.3618728 -595161404451135 2    441034 2      C-13-H3C(O)CH3
  521919.6652  0.0042 -5.0629 3  434.3618728 -595161404451135 2    441134 2      C-13-H3C(O)CH3
  521919.6652  0.0042 -5.0629 3  434.3618728 -595161404451035 2    441034 2      C-13-H3C(O)CH3
  521935.1775  0.0032 -3.6438 3  434.3901728 -595161404451135 0    441134 0      C-13-H3C(O)CH3
  521935.1775  0.0032 -3.9333 3  434.3901728 -595161404451035 0    441134 0      C-13-H3C(O)CH3
  521935.1775  0.0032 -3.6438 3  434.3901728 -595161404451035 0    441034 0      C-13-H3C(O)CH3
  521935.1775  0.0032 -3.9333 3  434.3901728 -595161404451135 0    441034 0      C-13-H3C(O)CH3
  522020.6866  0.0760 -6.1580 3  739.2031824  595161404513616 0    513319 0      C-13-H3C(O)CH3
  522026.5942  0.0572 -5.4119 3  673.3756508  59516140463 261 3    63 262 3      C-13-H3C(O)CH3
  522026.5942  0.0572 -5.4119 3  673.3756508  59516140463 361 3    63 162 3      C-13-H3C(O)CH3
  522026.8222  0.0579 -5.5210 3  673.3757508  59516140463 261 4    63 262 4      C-13-H3C(O)CH3
  522026.8222  0.0579 -5.9548 3  673.3757508  59516140463 261 4    63 162 4      C-13-H3C(O)CH3
  522026.8222  0.0579 -5.9548 3  673.3757508  59516140463 361 4    63 262 4      C-13-H3C(O)CH3
  522026.8222  0.0579 -5.5210 3  673.3757508  59516140463 361 4    63 162 4      C-13-H3C(O)CH3
  522061.8601  0.0246 -4.8229 3  559.3396728  595161404452916 0    443015 0      C-13-H3C(O)CH3
  522065.8241  0.0036 -3.2024 3  218.4189440 -5951614042724 3 1    2623 3 1      C-13-H3C(O)CH3
  522083.7994  0.0037 -3.2024 3  218.4368440 -5951614042724 3 2    2623 3 2      C-13-H3C(O)CH3
  522085.4661  0.0040 -3.5035 3  218.3585220  5951614042724 4 3    2623 4 3      C-13-H3C(O)CH3
  522085.5982  0.0741 -6.3367 3  739.2125824  595161404513616 1    513319 1      C-13-H3C(O)CH3
  522093.3291  0.1472 -5.9977 3 1489.9098D20  595161404822162 0    821963 0      C-13-H3C(O)CH3
  522093.3291  0.1472 -6.2922 3 1489.9098D20  595161404822162 0    822063 0      C-13-H3C(O)CH3
  522093.3291  0.1472 -6.2922 3 1489.9098D20  595161404822062 0    821963 0      C-13-H3C(O)CH3
  522093.3291  0.1472 -5.9977 3 1489.9098D20  595161404822062 0    822063 0      C-13-H3C(O)CH3
  522114.8304  0.1683 -5.8194 3 1489.9300D20  595161404822062 1    821963 1      C-13-H3C(O)CH3
  522114.8304  0.1683 -5.8194 3 1489.9300D20  595161404822162 1    822063 1      C-13-H3C(O)CH3
  522123.5235  0.1665 -5.8530 3 1489.9311D20  595161404822062 2    822063 2      C-13-H3C(O)CH3
  522123.5235  0.1665 -5.8530 3 1489.9311D20  595161404822162 2    821963 2      C-13-H3C(O)CH3
  522138.2109  0.0294 -6.4561 3  452.6378632  5951614043932 7 2    392910 2      C-13-H3C(O)CH3
  522145.1035  0.1105 -6.2254 3 1489.9513660  595161404822162 3    821963 3      C-13-H3C(O)CH3
  522145.1035  0.1105 -6.2254 3 1489.9513660  595161404822062 3    822063 3      C-13-H3C(O)CH3
  522145.2003  0.1105 -6.1866 3 1489.9513660  595161404822062 4    821963 4      C-13-H3C(O)CH3
  522145.2003  0.1105 -6.1866 3 1489.9513660  595161404822162 4    822063 4      C-13-H3C(O)CH3
  522149.8819  0.0041 -3.5033 3  218.3662220  5951614042724 3 3    2623 3 3      C-13-H3C(O)CH3
  522155.2393  0.0282 -6.4571 3  452.6005632  5951614043932 8 1    392911 1      C-13-H3C(O)CH3
  522182.8621  0.0462 -5.0086 3  507.1569348  595161404432716 3    422815 3      C-13-H3C(O)CH3
  522198.5148  0.0300 -5.0957 3  751.2452A48  59516140465 461 0    65 462 0      C-13-H3C(O)CH3
  522198.5148  0.0300 -5.4933 3  751.2452A48  59516140465 461 0    65 362 0      C-13-H3C(O)CH3
  522198.5148  0.0300 -5.0957 3  751.2452A48  59516140465 561 0    65 362 0      C-13-H3C(O)CH3
  522198.5148  0.0300 -5.4933 3  751.2452A48  59516140465 561 0    65 462 0      C-13-H3C(O)CH3
  522219.3056  0.0066 -5.2732 3  114.5903172  5951614042115 6 3    2012 9 3      C-13-H3C(O)CH3
  522220.8706  0.0815 -5.6135 3  635.3387500  59516140462 161 3    62 162 3      C-13-H3C(O)CH3
  522220.8706  0.0815 -5.6135 3  635.3387500  59516140462 261 3    62 062 3      C-13-H3C(O)CH3
  522222.3045  0.0820 -5.6524 3  635.3386500  59516140462 161 4    62 062 4      C-13-H3C(O)CH3
  522222.3045  0.0820 -5.6524 3  635.3386500  59516140462 261 4    62 162 4      C-13-H3C(O)CH3
  522235.5407  0.0036 -6.0802 3  464.1664428  59516140453 152 3    52 151 3      C-13-H3C(O)CH3
  522235.5407  0.0036 -3.6293 3  464.1664428  59516140453 252 3    52 151 3      C-13-H3C(O)CH3
  522235.5555  0.0036 -3.7966 3  464.1664428  59516140453 252 4    52 251 4      C-13-H3C(O)CH3
  522235.5555  0.0036 -3.7966 3  464.1664428  59516140453 152 4    52 151 4      C-13-H3C(O)CH3
  522235.5702  0.0036 -6.0802 3  464.1664428 -59516140453 252 3    52 251 3      C-13-H3C(O)CH3
  522235.5702  0.0036 -4.1197 3  464.1664428 -59516140453 252 4    52 151 4      C-13-H3C(O)CH3
  522235.5702  0.0036 -3.6293 3  464.1664428 -59516140453 152 3    52 251 3      C-13-H3C(O)CH3
  522235.5702  0.0036 -4.1197 3  464.1664428 -59516140453 152 4    52 251 4      C-13-H3C(O)CH3
  522251.9623  0.0032 -3.2021 3  218.4612440 -5951614042724 4 0    2623 3 0      C-13-H3C(O)CH3
  522251.9623  0.0032 -3.2021 3  218.4612440 -5951614042724 3 0    2623 4 0      C-13-H3C(O)CH3
  522254.3062  0.0043 -3.3589 3  464.1263856 -59516140453 252 2    52 151 2      C-13-H3C(O)CH3
  522254.3062  0.0043 -4.4712 3  464.1263856 -59516140453 152 2    52 151 2      C-13-H3C(O)CH3
  522254.3062  0.0047 -3.5075 3  464.1267856 -59516140453 252 1    52 151 1      C-13-H3C(O)CH3
  522254.3062  0.0047 -3.7942 3  464.1267856 -59516140453 152 1    52 151 1      C-13-H3C(O)CH3
  522254.3165  0.0047 -3.5075 3  464.1267856  59516140453 152 1    52 251 1      C-13-H3C(O)CH3
  522254.3165  0.0047 -3.7942 3  464.1267856  59516140453 252 1    52 251 1      C-13-H3C(O)CH3
  522254.3363  0.0043 -4.4712 3  464.1263856  59516140453 252 2    52 251 2      C-13-H3C(O)CH3
  522254.3363  0.0043 -3.3589 3  464.1263856  59516140453 152 2    52 251 2      C-13-H3C(O)CH3
  522270.9227  0.0033 -3.2021 3  218.4009440 -5951614042724 4 2    2623 4 2      C-13-H3C(O)CH3
  522273.0467  0.0036 -5.6557 3  464.0867856 -59516140453 152 0    52 251 0      C-13-H3C(O)CH3
  522273.0467  0.0036 -3.3285 3  464.0867856 -59516140453 252 0    52 251 0      C-13-H3C(O)CH3
  522273.0467  0.0036 -5.1487 3  464.0867856 -59516140453 252 0    52 151 0      C-13-H3C(O)CH3
  522273.0467  0.0036 -3.3331 3  464.0867856 -59516140453 152 0    52 151 0      C-13-H3C(O)CH3
  522291.2960  0.0501 -4.9941 3  711.9972A32  59516140464 461 1    64 262 1      C-13-H3C(O)CH3
  522291.2960  0.0501 -4.9941 3  711.9972A32  59516140464 361 1    64 362 1      C-13-H3C(O)CH3
  522292.4263  0.0453 -5.6329 3  711.9968A32  59516140464 361 2    64 262 2      C-13-H3C(O)CH3
  522292.4263  0.0453 -5.6329 3  711.9968A32  59516140464 461 2    64 362 2      C-13-H3C(O)CH3
  522292.4263  0.0453 -5.1021 3  711.9968A32  59516140464 361 2    64 362 2      C-13-H3C(O)CH3
  522292.4263  0.0453 -5.1021 3  711.9968A32  59516140464 461 2    64 262 2      C-13-H3C(O)CH3
  522304.8906  0.0274 -6.4601 3  452.6141632  5951614043932 8 2    392911 2      C-13-H3C(O)CH3
  522308.1770  0.0371 -5.1405 3  559.3288728  595161404452916 2    443015 2      C-13-H3C(O)CH3
  522317.2635  0.0034 -3.2019 3  218.3908440 -5951614042724 4 1    2623 4 1      C-13-H3C(O)CH3
  522323.0605  0.0822 -6.3118 3  739.2146824  595161404513616 2    513319 2      C-13-H3C(O)CH3
  522327.5031  0.0289 -5.0675 3  559.3250728  595161404452916 1    443015 1      C-13-H3C(O)CH3
  522336.7525  0.0042 -3.5029 3  218.3305220  5951614042724 4 4    2623 4 4      C-13-H3C(O)CH3
  522350.8796  0.0142 -5.0725 3  127.9559360  5951614042216 7 1    2113 8 1      C-13-H3C(O)CH3
  522368.2615  0.1271 -6.2247 3  882.7899904  595161404563819 0    563522 0      C-13-H3C(O)CH3
  522445.0309  0.0281 -6.4589 3  452.6312632  5951614043932 7 0    392910 0      C-13-H3C(O)CH3
  522446.8695  0.0281 -6.4589 3  452.6312632  5951614043932 8 0    392911 0      C-13-H3C(O)CH3
  522488.2679  0.0153 -5.2079 3  127.9666180  5951614042216 7 3    2113 8 3      C-13-H3C(O)CH3
  522488.4403  0.0302 -6.4557 3  452.6199632  5951614043932 7 1    392910 1      C-13-H3C(O)CH3
  522561.9530  0.0043 -4.7952 3  228.9704236  5951614042920 9 3    2819 9 3      C-13-H3C(O)CH3
  522574.7598  0.0380 -4.7710 3  507.1604696  595161404432716 2    422815 2      C-13-H3C(O)CH3
  522579.3306  0.0101 -6.0900 3  349.2044600  595161404371720 2    371423 2      C-13-H3C(O)CH3
  522582.4139  0.0101 -6.0900 3  349.2044600  595161404371820 2    371523 2      C-13-H3C(O)CH3
  522594.6682  0.0106 -6.3903 3  349.1785300  595161404371720 4    371423 4      C-13-H3C(O)CH3
  522594.8034  0.0105 -6.3903 3  349.1785300  595161404371720 3    371423 3      C-13-H3C(O)CH3
  522597.7840  0.0106 -6.3903 3  349.1785300  595161404371820 4    371523 4      C-13-H3C(O)CH3
  522597.9305  0.0105 -6.3903 3  349.1785300  595161404371820 3    371523 3      C-13-H3C(O)CH3
  522601.9171  0.0088 -6.0891 3  349.2323600  595161404371720 0    371423 0      C-13-H3C(O)CH3
  522603.3856  0.0043 -4.1687 3  228.9764236  5951614042920 9 4    2819 9 4      C-13-H3C(O)CH3
  522604.8365  0.0088 -6.0891 3  349.2323600  595161404371820 0    371523 0      C-13-H3C(O)CH3
  522617.2790  0.0100 -6.0887 3  349.2064600  595161404371720 1    371423 1      C-13-H3C(O)CH3
  522620.2385  0.0100 -6.0887 3  349.2064600  595161404371820 1    371523 1      C-13-H3C(O)CH3
  522646.7928  0.0034 -4.0772 3  228.9895472  5951614042920 9 1    2819 9 1      C-13-H3C(O)CH3
  522684.3580  0.0032 -4.6506 3  228.9890472  5951614042920 9 2    2819 9 2      C-13-H3C(O)CH3
  522696.3382  0.1444 -6.0866 3 1440.7919D04  595161404812062 0    811863 0      C-13-H3C(O)CH3
  522696.3382  0.1444 -5.9944 3 1440.7919D04  595161404812062 0    811963 0      C-13-H3C(O)CH3
  522696.3382  0.1444 -6.0866 3 1440.7919D04  595161404811962 0    811963 0      C-13-H3C(O)CH3
  522696.3382  0.1444 -5.9944 3 1440.7919D04  595161404811962 0    811863 0      C-13-H3C(O)CH3
  522704.9776  0.1261 -6.4515 3  882.8047904  595161404563819 1    563522 1      C-13-H3C(O)CH3
  522717.6792  0.0736 -5.1532 3  673.3424A16  59516140463 361 2    63 262 2      C-13-H3C(O)CH3
  522717.6792  0.0736 -5.9037 3  673.3424A16  59516140463 361 2    63 162 2      C-13-H3C(O)CH3
  522717.6792  0.0736 -5.9037 3  673.3424A16  59516140463 261 2    63 262 2      C-13-H3C(O)CH3
  522717.6792  0.0736 -5.1532 3  673.3424A16  59516140463 261 2    63 162 2      C-13-H3C(O)CH3
  522718.2014  0.0787 -5.4514 3  673.3428A16  59516140463 361 1    63 162 1      C-13-H3C(O)CH3
  522718.2014  0.0787 -5.3246 3  673.3428A16  59516140463 261 1    63 162 1      C-13-H3C(O)CH3
  522718.2014  0.0787 -5.4514 3  673.3428A16  59516140463 261 1    63 262 1      C-13-H3C(O)CH3
  522718.2014  0.0787 -5.3246 3  673.3428A16  59516140463 361 1    63 262 1      C-13-H3C(O)CH3
  522737.0210  0.1695 -5.9514 3 1440.8102D04  595161404811962 1    811963 1      C-13-H3C(O)CH3
  522737.0210  0.1695 -6.1463 3 1440.8102D04  595161404812062 1    811963 1      C-13-H3C(O)CH3
  522737.0210  0.1695 -5.9514 3 1440.8102D04  595161404812062 1    811863 1      C-13-H3C(O)CH3
  522737.0210  0.1695 -6.1463 3 1440.8102D04  595161404811962 1    811863 1      C-13-H3C(O)CH3
  522744.9322  0.1680 -5.8721 3 1440.8109D04  595161404811962 2    811863 2      C-13-H3C(O)CH3
  522744.9322  0.1680 -6.3097 3 1440.8109D04  595161404811962 2    811963 2      C-13-H3C(O)CH3
  522744.9322  0.1680 -5.8721 3 1440.8109D04  595161404812062 2    811963 2      C-13-H3C(O)CH3
  522744.9322  0.1680 -6.3097 3 1440.8109D04  595161404812062 2    811863 2      C-13-H3C(O)CH3
  522772.2148  0.0399 -5.1347 3  507.1391348  595161404432716 4    422815 4      C-13-H3C(O)CH3
  522785.7111  0.1070 -6.0446 3 1440.8292652  595161404811962 3    811963 3      C-13-H3C(O)CH3
  522785.7111  0.1070 -6.0446 3 1440.8292652  595161404812062 3    811863 3      C-13-H3C(O)CH3
  522785.8367  0.1070 -6.0968 3 1440.8292652  595161404811962 4    811863 4      C-13-H3C(O)CH3
  522785.8367  0.1070 -6.0968 3 1440.8292652  595161404812062 4    811963 4      C-13-H3C(O)CH3
  522787.2873  0.0377 -5.1659 3  711.9879A32  59516140464 461 0    64 362 0      C-13-H3C(O)CH3
  522787.2873  0.0377 -5.4644 3  711.9879A32  59516140464 361 0    64 362 0      C-13-H3C(O)CH3
  522787.2873  0.0377 -5.1659 3  711.9879A32  59516140464 361 0    64 262 0      C-13-H3C(O)CH3
  522787.2873  0.0377 -5.4644 3  711.9879A32  59516140464 461 0    64 262 0      C-13-H3C(O)CH3
  522810.5735  0.1426 -6.4576 3  882.8052904  595161404563819 2    563522 2      C-13-H3C(O)CH3
  522813.7406  0.0443 -5.5606 3  559.3103364  595161404452916 4    443015 4      C-13-H3C(O)CH3
  522817.8972  0.0228 -4.7258 3  507.1586696  595161404432716 1    422815 1      C-13-H3C(O)CH3
  522855.7860  0.0232 -4.6888 3  507.1730696  595161404432716 0    422815 0      C-13-H3C(O)CH3
  522955.6261  0.0034 -3.7925 3  441.7517372 -59516140446 937 4    451036 4      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.0750 3  441.7517372 -595161404461037 3    45 936 3      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.0750 3  441.7517372 -59516140446 937 3    451036 3      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.0287 3  441.7517372 -595161404461037 3    451036 3      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.7833 3  441.7517372 -59516140446 937 4    45 936 4      C-13-H3C(O)CH3
  522955.6261  0.0034 -3.7925 3  441.7517372 -595161404461037 4    45 936 4      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.0287 3  441.7517372 -59516140446 937 3    45 936 3      C-13-H3C(O)CH3
  522955.6261  0.0034 -4.7833 3  441.7517372 -595161404461037 4    451036 4      C-13-H3C(O)CH3
  522974.8080  0.0043 -3.9928 3  441.7789744 -59516140446 937 1    451036 1      C-13-H3C(O)CH3
  522974.8080  0.0043 -3.5956 3  441.7789744 -595161404461037 1    451036 1      C-13-H3C(O)CH3
  522974.8080  0.0043 -3.9928 3  441.7789744 -595161404461037 1    45 936 1      C-13-H3C(O)CH3
  522974.8080  0.0043 -3.5956 3  441.7789744 -59516140446 937 1    45 936 1      C-13-H3C(O)CH3
  522975.8707  0.0042 -3.4493 3  441.7782744 -59516140446 937 2    45 936 2      C-13-H3C(O)CH3
  522975.8707  0.0042 -3.4493 3  441.7782744 -595161404461037 2    451036 2      C-13-H3C(O)CH3
  522994.4624  0.0135 -5.0537 3  127.9458360  5951614042216 7 2    2113 8 2      C-13-H3C(O)CH3
  522994.9126  0.0032 -3.5879 3  441.8054744 -59516140446 937 0    45 936 0      C-13-H3C(O)CH3
  522994.9126  0.0032 -4.0127 3  441.8054744 -59516140446 937 0    451036 0      C-13-H3C(O)CH3
  522994.9126  0.0032 -4.0127 3  441.8054744 -595161404461037 0    45 936 0      C-13-H3C(O)CH3
  522994.9126  0.0032 -3.5879 3  441.8054744 -595161404461037 0    451036 0      C-13-H3C(O)CH3
  523020.0112  0.0546 -5.8572 3  482.1805340  595161404422616 4    412714 4      C-13-H3C(O)CH3
  523047.7686  0.0144 -6.0509 3  127.9666180  5951614042216 6 3    2113 8 3      C-13-H3C(O)CH3
  523107.4400  0.0086 -5.1015 3  114.5776344  5951614042115 6 1    2012 9 1      C-13-H3C(O)CH3
  523121.7583  0.0056 -4.9575 3  114.5622344  5951614042115 6 0    2012 9 0      C-13-H3C(O)CH3
  523142.4231  0.1293 -5.7684 3  635.2741A00  59516140462 161 2    62 162 2      C-13-H3C(O)CH3
  523142.4231  0.1293 -5.4813 3  635.2741A00  59516140462 261 2    62 162 2      C-13-H3C(O)CH3
  523142.4231  0.1293 -5.4813 3  635.2741A00  59516140462 161 2    62 062 2      C-13-H3C(O)CH3
  523142.4231  0.1293 -5.7684 3  635.2741A00  59516140462 261 2    62 062 2      C-13-H3C(O)CH3
  523146.0452  0.1333 -5.5321 3  635.2744A00  59516140462 261 1    62 162 1      C-13-H3C(O)CH3
  523146.0452  0.1333 -5.6846 3  635.2744A00  59516140462 161 1    62 162 1      C-13-H3C(O)CH3
  523146.0452  0.1333 -5.6846 3  635.2744A00  59516140462 261 1    62 062 1      C-13-H3C(O)CH3
  523146.0452  0.1333 -5.5321 3  635.2744A00  59516140462 161 1    62 062 1      C-13-H3C(O)CH3
  523146.9767  0.0086 -5.0762 3  114.5745344  5951614042115 6 2    2012 9 2      C-13-H3C(O)CH3
  523233.8777  0.0042 -4.5448 3  124.9792188  595161404231013 3    22 914 3      C-13-H3C(O)CH3
  523234.1510  0.0058 -4.5448 3  124.9792188  595161404231013 4    22 914 4      C-13-H3C(O)CH3
  523249.2554  0.0104 -3.8029 3  290.6676536  595161404332014 1    321913 1      C-13-H3C(O)CH3
  523256.6383  0.0039 -3.6128 3  222.6329228  5951614042822 6 4    2721 6 4      C-13-H3C(O)CH3
  523261.0499  0.0042 -4.5448 3  124.9792188  595161404231113 3    22 814 3      C-13-H3C(O)CH3
  523261.1541  0.0058 -4.5448 3  124.9792188  595161404231113 4    22 814 4      C-13-H3C(O)CH3
  523279.3955  0.1392 -5.6803 3 1392.2490C88  595161404801962 0    801763 0      C-13-H3C(O)CH3
  523279.3955  0.1392 -5.7781 3 1392.2490C88  595161404801862 0    801763 0      C-13-H3C(O)CH3
  523279.3955  0.1392 -6.2706 3 1392.2490C88  595161404801862 0    801863 0      C-13-H3C(O)CH3
  523279.5448  0.0148 -5.7593 3  107.2763328  5951614042016 5 1    1913 6 1      C-13-H3C(O)CH3
  523326.0191  0.0479 -5.8651 3  482.1887680  595161404422616 2    412714 2      C-13-H3C(O)CH3
  523332.8559  0.0124 -4.1034 3  290.6403268  595161404332014 4    321913 4      C-13-H3C(O)CH3
  523334.5060  0.0120 -4.1035 3  290.6404268  595161404332014 3    321913 3      C-13-H3C(O)CH3
  523340.0833  0.1664 -5.7078 3 1392.2645C88  595161404801862 1    801763 1      C-13-H3C(O)CH3
  523340.0833  0.1664 -5.7078 3 1392.2645C88  595161404801962 1    801863 1      C-13-H3C(O)CH3
  523346.9592  0.1653 -5.9191 3 1392.2649C88  595161404801862 2    801863 2      C-13-H3C(O)CH3
  523346.9592  0.1653 -6.0005 3 1392.2649C88  595161404801862 2    801763 2      C-13-H3C(O)CH3
  523346.9592  0.1653 -6.0005 3 1392.2649C88  595161404801962 2    801863 2      C-13-H3C(O)CH3
  523346.9592  0.1653 -5.9191 3 1392.2649C88  595161404801962 2    801763 2      C-13-H3C(O)CH3
  523385.9891  0.0055 -3.7091 3  466.6961436  59516140454 154 4    53 153 4      C-13-H3C(O)CH3
  523385.9891  0.0055 -4.3132 3  466.6961436  59516140454 054 4    53 153 4      C-13-H3C(O)CH3
  523386.0012  0.0055 -5.6729 3  466.6961436  59516140454 054 3    53 153 3      C-13-H3C(O)CH3
  523386.0012  0.0055 -3.6164 3  466.6961436  59516140454 154 3    53 153 3      C-13-H3C(O)CH3
  523386.0337  0.0055 -3.6164 3  466.6961436 -59516140454 054 3    53 053 3      C-13-H3C(O)CH3
  523386.0337  0.0055 -5.6729 3  466.6961436 -59516140454 154 3    53 053 3      C-13-H3C(O)CH3
  523386.0337  0.0055 -4.3132 3  466.6961436 -59516140454 154 4    53 053 4      C-13-H3C(O)CH3
  523386.0337  0.0055 -3.7091 3  466.6961436 -59516140454 054 4    53 053 4      C-13-H3C(O)CH3
  523389.9437  0.0084 -4.7703 3  466.6307872  59516140454 154 1    53 153 1      C-13-H3C(O)CH3
  523390.0420  0.0078 -3.3758 3  466.6304872 -59516140454 154 2    53 153 2      C-13-H3C(O)CH3
  523390.0420  0.0084 -3.3268 3  466.6307872 -59516140454 054 1    53 153 1      C-13-H3C(O)CH3
  523390.0420  0.0084 -4.7703 3  466.6307872 -59516140454 054 1    53 053 1      C-13-H3C(O)CH3
  523390.0420  0.0078 -3.3758 3  466.6304872 -59516140454 054 2    53 053 2      C-13-H3C(O)CH3
  523390.0420  0.0078 -4.1723 3  466.6304872 -59516140454 154 2    53 053 2      C-13-H3C(O)CH3
  523390.0420  0.0084 -3.3268 3  466.6307872 -59516140454 154 1    53 053 1      C-13-H3C(O)CH3
  523390.0420  0.0078 -4.1723 3  466.6304872 -59516140454 054 2    53 153 2      C-13-H3C(O)CH3
  523394.0342  0.0062 -3.3645 3  466.5652872  59516140454 054 0    53 153 0      C-13-H3C(O)CH3
  523394.0342  0.0062 -4.2492 3  466.5652872  59516140454 154 0    53 153 0      C-13-H3C(O)CH3
  523394.0678  0.0062 -4.2492 3  466.5652872 -59516140454 054 0    53 053 0      C-13-H3C(O)CH3
  523394.0678  0.0062 -3.3645 3  466.5652872 -59516140454 154 0    53 053 0      C-13-H3C(O)CH3
  523394.0936  0.0032 -3.3115 3  222.6437456  5951614042822 6 1    2721 6 1      C-13-H3C(O)CH3
  523398.1793  0.0036 -3.6129 3  222.6035228  5951614042822 6 3    2721 6 3      C-13-H3C(O)CH3
  523407.7602  0.1027 -6.1169 3 1392.2805644  595161404801962 3    801863 3      C-13-H3C(O)CH3
  523407.7602  0.1027 -6.4710 3 1392.2805644  595161404801962 3    801763 3      C-13-H3C(O)CH3
  523407.7602  0.1027 -6.1169 3 1392.2805644  595161404801862 3    801763 3      C-13-H3C(O)CH3
  523407.7602  0.1027 -6.4710 3 1392.2805644  595161404801862 3    801863 3      C-13-H3C(O)CH3
  523407.9145  0.1028 -5.9586 3 1392.2805644  595161404801962 4    801863 4      C-13-H3C(O)CH3
  523407.9145  0.1028 -5.9586 3 1392.2805644  595161404801862 4    801763 4      C-13-H3C(O)CH3
  523407.9238  0.0612 -5.2836 3  673.3097A16  59516140463 261 0    63 262 0      C-13-H3C(O)CH3
  523407.9238  0.0612 -5.5089 3  673.3097A16  59516140463 261 0    63 162 0      C-13-H3C(O)CH3
  523407.9238  0.0612 -5.5089 3  673.3097A16  59516140463 361 0    63 262 0      C-13-H3C(O)CH3
  523407.9238  0.0612 -5.2836 3  673.3097A16  59516140463 361 0    63 162 0      C-13-H3C(O)CH3
  523421.1653  0.0121 -5.4729 3  114.5896172  5951614042115 6 4    2012 9 4      C-13-H3C(O)CH3
  523450.0002  0.0035 -3.3112 3  222.6533456 -5951614042822 6 2    2721 6 2      C-13-H3C(O)CH3
  523452.6139  0.0036 -3.6125 3  222.5969228  5951614042822 7 3    2721 7 3      C-13-H3C(O)CH3
  523462.5883  0.0042 -4.2432 3  124.9641376  595161404231013 2    22 914 2      C-13-H3C(O)CH3
  523490.6794  0.0042 -4.2431 3  124.9641376  595161404231113 2    22 814 2      C-13-H3C(O)CH3
  523493.2635  0.0041 -4.2433 3  124.9658376  595161404231013 1    22 914 1      C-13-H3C(O)CH3
  523517.5867  0.0095 -3.8027 3  290.6780536  595161404332014 0    321913 0      C-13-H3C(O)CH3
  523520.3764  0.0041 -4.2432 3  124.9658376  595161404231113 1    22 814 1      C-13-H3C(O)CH3
  523534.3154  0.0195 -5.7463 3  117.2846172  5951614042116 6 4    2013 7 4      C-13-H3C(O)CH3
  523547.1070  0.0259 -5.9857 3  647.7982792  595161404492822 0    492525 0      C-13-H3C(O)CH3
  523559.4318  0.0380 -5.9854 3  647.7853792  595161404492822 2    492525 2      C-13-H3C(O)CH3
  523583.7735  0.0028 -3.3108 3  222.6640456 -5951614042822 7 0    2721 6 0      C-13-H3C(O)CH3
  523589.0891  0.0028 -3.3108 3  222.6639456 -5951614042822 6 0    2721 7 0      C-13-H3C(O)CH3
  523589.0891  0.0028 -3.3111 3  222.6078456 -5951614042822 7 1    2721 7 1      C-13-H3C(O)CH3
  523590.5746  0.0030 -3.3111 3  222.6240456 -5951614042822 7 2    2721 7 2      C-13-H3C(O)CH3
  523594.0922  0.0032 -3.6124 3  222.5676228 -5951614042822 7 4    2721 7 4      C-13-H3C(O)CH3
  523597.0935  0.0286 -5.9849 3  647.7869792  595161404492822 1    492525 1      C-13-H3C(O)CH3
  523608.1147  0.0103 -3.8022 3  290.6506536  595161404332014 2    321913 2      C-13-H3C(O)CH3
  523609.3458  0.0403 -6.2856 3  647.7740396  595161404492822 4    492525 4      C-13-H3C(O)CH3
  523611.1908  0.0399 -6.2856 3  647.7740396  595161404492822 3    492525 3      C-13-H3C(O)CH3
  523649.2739  0.0350 -5.1612 3  678.0157792  595161404493416 2    483514 2      C-13-H3C(O)CH3
  523650.9264  0.0379 -5.4621 3  678.0161396  595161404493416 4    483514 4      C-13-H3C(O)CH3
  523670.2780  0.0363 -5.7862 3  858.5183872  595161404544213 0    534310 0      C-13-H3C(O)CH3
  523670.2782  0.0363 -5.7862 3  858.5183872  595161404544212 0    534311 0      C-13-H3C(O)CH3
  523685.7877  0.0356 -5.2827 3  586.4899372  595161404463016 4    453114 4      C-13-H3C(O)CH3
  523698.4456  0.0050 -4.1690 3  228.8853236  595161404292010 4    281910 4      C-13-H3C(O)CH3
  523713.2355  0.0427 -5.7866 3  858.5447872  595161404544212 1    534310 1      C-13-H3C(O)CH3
  523721.3924  0.0043 -4.2426 3  124.9508376  595161404231013 0    22 914 0      C-13-H3C(O)CH3
  523736.5193  0.0043 -4.7928 3  228.8915236  595161404292010 3    281910 3      C-13-H3C(O)CH3
  523749.4819  0.0042 -4.2426 3  124.9508376  595161404231113 0    22 814 0      C-13-H3C(O)CH3
  523753.4369  0.0174 -5.8657 3  107.2836164  5951614042016 5 3    1913 6 3      C-13-H3C(O)CH3
  523767.5892  0.0142 -5.7185 3  107.2733328  5951614042016 5 2    1913 6 2      C-13-H3C(O)CH3
  523769.7770  0.0038 -4.0766 3  228.9062472  595161404292010 1    281910 1      C-13-H3C(O)CH3
  523784.6582  0.0339 -5.4662 3  678.0427396  595161404493416 3    483514 3      C-13-H3C(O)CH3
  523806.6913  0.0341 -5.1612 3  678.0013792  595161404493416 0    483513 0      C-13-H3C(O)CH3
  523827.2609  0.0355 -5.1614 3  678.0018792  595161404493416 1    483514 1      C-13-H3C(O)CH3
  523843.9303  0.1312 -5.6062 3 1344.2819C72  595161404791862 0    791763 0      C-13-H3C(O)CH3
  523843.9303  0.1312 -5.6062 3 1344.2819C72  595161404791762 0    791663 0      C-13-H3C(O)CH3
  523848.7053  0.0341 -5.1611 3  678.0013792  595161404493415 0    483514 0      C-13-H3C(O)CH3
  523849.9576  0.0405 -5.7865 3  858.5375872  595161404544213 1    534311 1      C-13-H3C(O)CH3
  523875.3411  0.0248 -6.3457 3  482.1814680  595161404422616 1    412714 1      C-13-H3C(O)CH3
  523875.3891  0.0033 -4.6518 3  228.9119472  595161404292010 2    281910 2      C-13-H3C(O)CH3
  523924.7176  0.1587 -5.8377 3 1344.2938C72  595161404791762 1    791763 1      C-13-H3C(O)CH3
  523924.7176  0.1587 -5.9276 3 1344.2938C72  595161404791762 1    791663 1      C-13-H3C(O)CH3
  523924.7176  0.1587 -5.9276 3 1344.2938C72  595161404791862 1    791763 1      C-13-H3C(O)CH3
  523924.7176  0.1587 -5.8377 3 1344.2938C72  595161404791862 1    791663 1      C-13-H3C(O)CH3
  523926.8654  0.0411 -5.7866 3  858.5404872  595161404544213 2    534311 2      C-13-H3C(O)CH3
  523930.3858  0.1581 -6.2406 3 1344.2940C72  595161404791862 2    791663 2      C-13-H3C(O)CH3
  523930.3858  0.1581 -5.6861 3 1344.2940C72  595161404791762 2    791663 2      C-13-H3C(O)CH3
  523930.3858  0.1581 -5.6861 3 1344.2940C72  595161404791862 2    791763 2      C-13-H3C(O)CH3
  523930.3858  0.1581 -6.2406 3 1344.2940C72  595161404791762 2    791763 2      C-13-H3C(O)CH3
  523935.0788  0.0418 -5.7861 3  858.5482872  595161404544212 2    534310 2      C-13-H3C(O)CH3
  523935.7889  0.0383 -5.0529 3  586.4737744  595161404463016 2    453114 2      C-13-H3C(O)CH3
  523965.6006  0.0339 -5.1614 3  678.0284792  595161404493415 1    483513 1      C-13-H3C(O)CH3
  523971.7149  0.0547 -6.0880 3  858.5667436  595161404544213 4    534311 4      C-13-H3C(O)CH3
  523978.5744  0.0535 -6.0875 3  858.5747436  595161404544212 3    534310 3      C-13-H3C(O)CH3
  523983.7104  0.0156 -5.8488 3  107.2836164  5951614042016 4 3    1913 6 3      C-13-H3C(O)CH3
  523993.5372  0.0299 -5.1611 3  678.0433792  595161404493415 2    483513 2      C-13-H3C(O)CH3
  523994.3763  0.0268 -5.4662 3  678.0438396  595161404493415 3    483513 3      C-13-H3C(O)CH3
  524011.3020  0.0976 -6.0268 3 1344.3059636  595161404791862 3    791663 3      C-13-H3C(O)CH3
  524011.3020  0.0976 -6.4230 3 1344.3059636  595161404791762 3    791663 3      C-13-H3C(O)CH3
  524011.3020  0.0976 -6.0268 3 1344.3059636  595161404791762 3    791763 3      C-13-H3C(O)CH3
  524011.3020  0.0976 -6.4230 3 1344.3059636  595161404791862 3    791763 3      C-13-H3C(O)CH3
  524011.4834  0.0977 -5.8980 3 1344.3059636  595161404791862 4    791763 4      C-13-H3C(O)CH3
  524011.4834  0.0977 -5.8980 3 1344.3059636  595161404791762 4    791663 4      C-13-H3C(O)CH3
  524015.6102  0.0107 -4.8540 3  127.9349360  5951614042216 7 0    2113 8 0      C-13-H3C(O)CH3
  524026.4105  0.0033 -3.8058 3  448.6223380 -59516140447 939 4    46 838 4      C-13-H3C(O)CH3
  524026.4105  0.0033 -4.5657 3  448.6223380 -59516140447 839 4    46 838 4      C-13-H3C(O)CH3
  524026.4105  0.0033 -3.7525 3  448.6223380 -59516140447 839 3    46 938 3      C-13-H3C(O)CH3
  524026.4105  0.0033 -5.1700 3  448.6223380 -59516140447 839 3    46 838 3      C-13-H3C(O)CH3
  524026.4105  0.0033 -3.8058 3  448.6223380 -59516140447 839 4    46 938 4      C-13-H3C(O)CH3
  524026.4105  0.0033 -3.7525 3  448.6223380 -59516140447 939 3    46 838 3      C-13-H3C(O)CH3
  524026.4105  0.0033 -5.1700 3  448.6223380 -59516140447 939 3    46 938 3      C-13-H3C(O)CH3
  524026.4105  0.0033 -4.5657 3  448.6223380 -59516140447 939 4    46 938 4      C-13-H3C(O)CH3
  524049.4751  0.0042 -3.5110 3  448.6477760 -59516140447 939 1    46 938 1      C-13-H3C(O)CH3
  524049.4751  0.0041 -3.4483 3  448.6472760 -59516140447 839 2    46 838 2      C-13-H3C(O)CH3
  524049.4751  0.0041 -4.9627 3  448.6472760 -59516140447 839 2    46 938 2      C-13-H3C(O)CH3
  524049.4751  0.0041 -3.4483 3  448.6472760 -59516140447 939 2    46 938 2      C-13-H3C(O)CH3
  524049.4751  0.0042 -4.2307 3  448.6477760 -59516140447 839 1    46 938 1      C-13-H3C(O)CH3
  524049.4751  0.0042 -3.5110 3  448.6477760 -59516140447 839 1    46 838 1      C-13-H3C(O)CH3
  524049.4751  0.0042 -4.2307 3  448.6477760 -59516140447 939 1    46 838 1      C-13-H3C(O)CH3
  524049.4751  0.0041 -4.9627 3  448.6472760 -59516140447 939 2    46 838 2      C-13-H3C(O)CH3
  524065.3206  0.1028 -5.4600 3  635.2100A00  59516140462 161 0    62 062 0      C-13-H3C(O)CH3
  524065.3206  0.1028 -5.8065 3  635.2100A00  59516140462 161 0    62 162 0      C-13-H3C(O)CH3
  524065.3206  0.1028 -5.4600 3  635.2100A00  59516140462 261 0    62 162 0      C-13-H3C(O)CH3
  524065.3206  0.1028 -5.8065 3  635.2100A00  59516140462 261 0    62 062 0      C-13-H3C(O)CH3
  524072.3630  0.0031 -5.2737 3  448.6726760 -59516140447 839 0    46 938 0      C-13-H3C(O)CH3
  524072.3630  0.0031 -5.2737 3  448.6726760 -59516140447 939 0    46 838 0      C-13-H3C(O)CH3
  524072.3630  0.0031 -3.4416 3  448.6726760 -59516140447 939 0    46 938 0      C-13-H3C(O)CH3
  524072.3630  0.0031 -3.4416 3  448.6726760 -59516140447 839 0    46 838 0      C-13-H3C(O)CH3
  524107.5508  0.0523 -6.0879 3  858.5596436  595161404544213 3    534311 3      C-13-H3C(O)CH3
  524114.8962  0.0537 -6.0874 3  858.5674436  595161404544212 4    534310 4      C-13-H3C(O)CH3
  524130.3002  0.0304 -5.4620 3  678.0703396  595161404493415 4    483513 4      C-13-H3C(O)CH3
  524150.3321  0.0318 -5.3829 3  745.6927824  595161404513715 0    503812 0      C-13-H3C(O)CH3
  524150.4405  0.0487 -5.5719 3  586.4589372  595161404463016 3    453114 3      C-13-H3C(O)CH3
  524151.0003  0.0318 -5.3828 3  745.6927824  595161404513714 0    503813 0      C-13-H3C(O)CH3
  524163.7154  0.0139 -5.2465 3  127.9559360  5951614042216 6 1    2113 8 1      C-13-H3C(O)CH3
  524168.4747  0.0331 -5.3826 3  745.7187824  595161404513715 2    503813 2      C-13-H3C(O)CH3
  524240.1680  0.0329 -5.1097 3  586.4561744  595161404463016 1    453114 1      C-13-H3C(O)CH3
  524259.4305  0.0334 -5.3829 3  745.7029824  595161404513715 1    503813 1      C-13-H3C(O)CH3
  524277.3187  0.0359 -5.6836 3  745.7288412  595161404513715 4    503813 4      C-13-H3C(O)CH3
  524311.2600  0.0331 -5.3829 3  745.7220824  595161404513714 1    503812 1      C-13-H3C(O)CH3
  524328.1013  0.0364 -5.6851 3  745.7480412  595161404513715 3    503812 3      C-13-H3C(O)CH3
  524341.0494  0.0179 -5.4850 3  127.9675180  5951614042216 6 4    2113 8 4      C-13-H3C(O)CH3
  524391.5762  0.1207 -5.5059 3 1296.8916C56  595161404781662 0    781563 0      C-13-H3C(O)CH3
  524391.5762  0.1207 -5.5059 3 1296.8916C56  595161404781762 0    781663 0      C-13-H3C(O)CH3
  524417.5218  0.1049 -6.2043 3  796.2834856  595161404533716 0    533419 0      C-13-H3C(O)CH3
  524431.4263  0.0329 -5.3828 3  745.7310824  595161404513714 2    503812 2      C-13-H3C(O)CH3
  524452.4214  0.0139 -5.2842 3  127.9458360  5951614042216 6 2    2113 8 2      C-13-H3C(O)CH3
  524491.6598  0.1468 -5.5199 3 1296.8991C56  595161404781662 1    781663 1      C-13-H3C(O)CH3
  524491.6598  0.1468 -5.5199 3 1296.8991C56  595161404781762 1    781563 1      C-13-H3C(O)CH3
  524496.0355  0.1466 -5.5942 3 1296.8991C56  595161404781662 2    781663 2      C-13-H3C(O)CH3
  524496.0355  0.1466 -6.2329 3 1296.8991C56  595161404781762 2    781663 2      C-13-H3C(O)CH3
  524496.0355  0.1466 -6.2329 3 1296.8991C56  595161404781662 2    781563 2      C-13-H3C(O)CH3
  524496.0355  0.1466 -5.5942 3 1296.8991C56  595161404781762 2    781563 2      C-13-H3C(O)CH3
  524525.9986  0.0479 -5.4144 3  586.4464372  595161404463016 3    453115 3      C-13-H3C(O)CH3
  524539.6014  0.0352 -5.6852 3  745.7412412  595161404513714 3    503813 3      C-13-H3C(O)CH3
  524592.6070  0.0419 -5.6839 3  745.7603412  595161404513714 4    503812 4      C-13-H3C(O)CH3
  524596.2615  0.0918 -5.9863 3 1296.9066628  595161404781662 3    781563 3      C-13-H3C(O)CH3
  524596.2615  0.0918 -5.9863 3 1296.9066628  595161404781762 3    781663 3      C-13-H3C(O)CH3
  524596.2615  0.0918 -6.2725 3 1296.9066628  595161404781662 3    781663 3      C-13-H3C(O)CH3
  524596.2615  0.0918 -6.2725 3 1296.9066628  595161404781762 3    781563 3      C-13-H3C(O)CH3
  524596.4666  0.0919 -5.8384 3 1296.9066628  595161404781762 4    781663 4      C-13-H3C(O)CH3
  524596.4666  0.0919 -5.8384 3 1296.9066628  595161404781662 4    781563 4      C-13-H3C(O)CH3
  524772.9183  0.0275 -4.8839 3  586.4374744  595161404463016 0    453115 0      C-13-H3C(O)CH3
  524789.2756  0.0203 -5.1575 3  550.2834364  595161404452719 4    442816 4      C-13-H3C(O)CH3
  524921.0134  0.2309 -6.3541 3 1039.4240984  595161404614022 0    613725 0      C-13-H3C(O)CH3
  524923.5798  0.0135 -5.1512 3  550.2794364  595161404452719 3    442816 3      C-13-H3C(O)CH3
  524924.1920  0.1081 -5.5751 3 1250.0787C40  595161404771662 0    771563 0      C-13-H3C(O)CH3
  524924.1920  0.1081 -5.5751 3 1250.0787C40  595161404771562 0    771463 0      C-13-H3C(O)CH3
  524924.1920  0.1081 -5.9860 3 1250.0787C40  595161404771662 0    771463 0      C-13-H3C(O)CH3
  524924.1920  0.1081 -5.9860 3 1250.0787C40  595161404771562 0    771563 0      C-13-H3C(O)CH3
  524926.9309  0.0088 -3.8368 3  228.8915236  5951614042920 9 3    281910 3      C-13-H3C(O)CH3
  524934.0620  0.0159 -4.8533 3  550.2926728  595161404452719 2    442816 2      C-13-H3C(O)CH3
  524994.9955  0.0029 -3.4889 3  228.9296472  5951614042920 9 0    281910 0      C-13-H3C(O)CH3
  524996.9620  0.0141 -5.3955 3  117.2691344  5951614042116 6 1    2013 7 1      C-13-H3C(O)CH3
  524997.2291  0.0060 -3.5202 3  228.9119472  5951614042920 9 2    281910 2      C-13-H3C(O)CH3
  525002.8717  0.0115 -4.8538 3  550.2940728  595161404452719 1    442816 1      C-13-H3C(O)CH3
  525041.6896  0.1312 -5.4324 3 1250.0811C40  595161404771662 1    771463 1      C-13-H3C(O)CH3
  525041.6896  0.1312 -5.4554 3 1250.0811C40  595161404771562 1    771563 1      C-13-H3C(O)CH3
  525044.7787  0.1314 -5.4476 3 1250.0811C40  595161404771662 2    771463 2      C-13-H3C(O)CH3
  525044.7787  0.1314 -5.4328 3 1250.0811C40  595161404771562 2    771563 2      C-13-H3C(O)CH3
  525063.9149  0.1007 -6.3828 3  614.2706380  595161404473117 4    463214 4      C-13-H3C(O)CH3
  525080.2856  0.0101 -4.8538 3  550.3053728  595161404452719 0    442816 0      C-13-H3C(O)CH3
  525110.8860  0.0032 -3.7272 3  454.9488388 -59516140448 741 4    47 840 4      C-13-H3C(O)CH3
  525110.8860  0.0032 -3.9878 3  454.9488388 -59516140448 841 3    47 740 3      C-13-H3C(O)CH3
  525110.8860  0.0032 -4.0626 3  454.9488388 -59516140448 841 3    47 840 3      C-13-H3C(O)CH3
  525110.8860  0.0032 -5.6972 3  454.9488388 -59516140448 841 4    47 840 4      C-13-H3C(O)CH3
  525110.8860  0.0032 -5.6972 3  454.9488388 -59516140448 741 4    47 740 4      C-13-H3C(O)CH3
  525110.8860  0.0032 -4.0626 3  454.9488388 -59516140448 741 3    47 740 3      C-13-H3C(O)CH3
  525110.8860  0.0032 -3.9878 3  454.9488388 -59516140448 741 3    47 840 3      C-13-H3C(O)CH3
  525110.8860  0.0032 -3.7272 3  454.9488388 -59516140448 841 4    47 740 4      C-13-H3C(O)CH3
  525123.8129  0.0041 -3.6192 3  225.8135472  595161404291910 2    281811 2      C-13-H3C(O)CH3
  525134.9932  0.0049 -3.9230 3  225.7991236  595161404291910 3    281811 3      C-13-H3C(O)CH3
  525137.3429  0.0040 -3.4393 3  454.9710776 -59516140448 741 2    47 740 2      C-13-H3C(O)CH3
  525137.3429  0.0041 -3.4221 3  454.9715776 -59516140448 741 1    47 840 1      C-13-H3C(O)CH3
  525137.3429  0.0041 -3.4221 3  454.9715776 -59516140448 841 1    47 740 1      C-13-H3C(O)CH3
  525137.3429  0.0041 -6.3130 3  454.9715776 -59516140448 741 1    47 740 1      C-13-H3C(O)CH3
  525137.3429  0.0040 -4.8180 3  454.9710776 -59516140448 841 2    47 740 2      C-13-H3C(O)CH3
  525137.3429  0.0040 -3.4393 3  454.9710776 -59516140448 841 2    47 840 2      C-13-H3C(O)CH3
  525137.3429  0.0040 -4.8180 3  454.9710776 -59516140448 741 2    47 840 2      C-13-H3C(O)CH3
  525137.3429  0.0041 -6.3130 3  454.9715776 -59516140448 841 1    47 840 1      C-13-H3C(O)CH3
  525146.1429  0.0087 -3.6204 3  228.9062472  5951614042920 9 1    281910 1      C-13-H3C(O)CH3
  525162.4285  0.0854 -5.7519 3 1250.0835620  595161404771662 3    771463 3      C-13-H3C(O)CH3
  525162.4285  0.0854 -5.7519 3 1250.0835620  595161404771562 3    771563 3      C-13-H3C(O)CH3
  525162.6512  0.0855 -5.7813 3 1250.0835620  595161404771562 4    771563 4      C-13-H3C(O)CH3
  525162.6512  0.0855 -5.7337 3 1250.0835620  595161404771662 4    771463 4      C-13-H3C(O)CH3
  525163.4692  0.0030 -3.4331 3  454.9938776 -59516140448 841 0    47 740 0      C-13-H3C(O)CH3
  525163.4692  0.0030 -5.0039 3  454.9938776 -59516140448 841 0    47 840 0      C-13-H3C(O)CH3
  525163.4692  0.0030 -5.0039 3  454.9938776 -59516140448 741 0    47 740 0      C-13-H3C(O)CH3
  525163.4692  0.0030 -3.4331 3  454.9938776 -59516140448 741 0    47 840 0      C-13-H3C(O)CH3
  525168.0918  0.0070 -5.3683 3  112.1538172  5951614042114 7 3    201110 3      C-13-H3C(O)CH3
  525171.3645  0.0038 -3.6187 3  225.8294472  595161404291910 0    281811 0      C-13-H3C(O)CH3
  525175.2239  0.1202 -6.4088 3  796.2991856  595161404533716 1    533419 1      C-13-H3C(O)CH3
  525180.0951  0.0060 -3.9277 3  225.7982236  595161404291910 4    281811 4      C-13-H3C(O)CH3
  525188.1627  0.0350 -5.2765 3  586.4245744  595161404463016 1    453115 1      C-13-H3C(O)CH3
  525203.9011  0.0042 -3.6237 3  225.8147472  595161404291910 1    281811 1      C-13-H3C(O)CH3
  525236.7457  0.0427 -5.3762 3  586.4303744  595161404463016 2    453115 2      C-13-H3C(O)CH3
  525268.4270  0.0178 -5.5682 3  117.2806172  5951614042116 6 3    2013 7 3      C-13-H3C(O)CH3
  525288.9836  0.0152 -5.6598 3  107.3008164  5951614042016 4 4    1913 6 4      C-13-H3C(O)CH3
  525324.4306  0.0120 -5.4208 3  107.2763328  5951614042016 4 1    1913 6 1      C-13-H3C(O)CH3
  525334.7839  0.0176 -4.0278 3  228.8853236  5951614042920 9 4    281910 4      C-13-H3C(O)CH3
  525377.8244  0.0096 -5.2590 3  107.2567328  5951614042016 5 0    1913 6 0      C-13-H3C(O)CH3
  525420.4650  0.0071 -5.3868 3  112.1538172  5951614042114 7 4    201110 4      C-13-H3C(O)CH3
  525443.8817  0.0939 -5.7657 3 1203.8441C24  595161404761462 0    761363 0      C-13-H3C(O)CH3
  525443.8817  0.0939 -5.5829 3 1203.8441C24  595161404761462 0    761463 0      C-13-H3C(O)CH3
  525443.8817  0.0939 -5.5829 3 1203.8441C24  595161404761562 0    761363 0      C-13-H3C(O)CH3
  525443.8817  0.0939 -5.7657 3 1203.8441C24  595161404761562 0    761463 0      C-13-H3C(O)CH3
  525449.4909  0.1338 -6.3920 3  796.3028856  595161404533716 2    533419 2      C-13-H3C(O)CH3
  525453.8878  0.0060 -5.0671 3  112.1363344  5951614042114 7 2    201110 2      C-13-H3C(O)CH3
  525484.7889  0.0057 -5.0714 3  112.1396344  5951614042114 7 1    201110 1      C-13-H3C(O)CH3
  525564.4681  0.2495 -6.4151 3 1039.4378984  595161404614022 2    613725 2      C-13-H3C(O)CH3
  525565.1468  0.1233 -6.1952 3  922.1338936  595161404583524 0    583227 0      C-13-H3C(O)CH3
  525566.7775  0.0136 -5.3820 3  117.2628344  5951614042116 6 2    2013 7 2      C-13-H3C(O)CH3
  525575.6382  0.1130 -5.4293 3 1203.8409C24  595161404761462 1    761463 1      C-13-H3C(O)CH3
  525575.6382  0.1130 -6.2152 3 1203.8409C24  595161404761462 1    761363 1      C-13-H3C(O)CH3
  525575.6382  0.1130 -5.3729 3 1203.8409C24  595161404761562 1    761463 1      C-13-H3C(O)CH3
  525577.5348  0.1132 -6.1576 3 1203.8407C24  595161404761562 2    761363 2      C-13-H3C(O)CH3
  525577.5348  0.1132 -5.4395 3 1203.8407C24  595161404761562 2    761463 2      C-13-H3C(O)CH3
  525577.5348  0.1132 -5.4395 3 1203.8407C24  595161404761462 2    761363 2      C-13-H3C(O)CH3
  525577.5348  0.1132 -6.1576 3 1203.8407C24  595161404761462 2    761463 2      C-13-H3C(O)CH3
  525581.7271  0.0166 -5.7874 3  117.2806172  5951614042116 5 3    2013 7 3      C-13-H3C(O)CH3
  525583.6144  0.0119 -5.4439 3  107.2733328  5951614042016 4 2    1913 6 2      C-13-H3C(O)CH3
  525590.1972  0.2053 -6.4089 3 1039.4374984  595161404614022 1    613725 1      C-13-H3C(O)CH3
  525633.5660  0.1004 -6.1950 3  922.1405936  595161404583524 2    583227 2      C-13-H3C(O)CH3
  525640.5714  0.0055 -5.0614 3  112.1221344  5951614042114 7 0    201110 0      C-13-H3C(O)CH3
  525650.7502  0.0037 -3.9152 3  383.8335316  595161404391722 4    381821 4      C-13-H3C(O)CH3
  525650.8482  0.0037 -3.9152 3  383.8335316  595161404391722 3    381821 3      C-13-H3C(O)CH3
  525651.4967  0.0037 -3.6142 3  383.8623632  595161404391722 1    381821 1      C-13-H3C(O)CH3
  525651.6640  0.0037 -3.9152 3  383.8334316  595161404391822 4    381721 4      C-13-H3C(O)CH3
  525651.7662  0.0037 -3.9152 3  383.8335316  595161404391822 3    381721 3      C-13-H3C(O)CH3
  525652.3528  0.0037 -3.6142 3  383.8623632  595161404391822 1    381721 1      C-13-H3C(O)CH3
  525652.3607  0.1218 -6.1949 3  922.1398936  595161404583524 1    583227 1      C-13-H3C(O)CH3
  525660.7882  0.0038 -3.6142 3  383.8594632  595161404391722 2    381821 2      C-13-H3C(O)CH3
  525661.4113  0.0030 -3.6142 3  383.8881632  595161404391722 0    381821 0      C-13-H3C(O)CH3
  525661.6827  0.0038 -3.6142 3  383.8594632  595161404391822 2    381721 2      C-13-H3C(O)CH3
  525662.2459  0.0030 -3.6142 3  383.8881632  595161404391822 0    381721 0      C-13-H3C(O)CH3
  525676.2864  0.0035 -3.9562 3  371.7179308  595161404381820 4    371919 4      C-13-H3C(O)CH3
  525676.3955  0.0035 -3.9562 3  371.7179308  595161404381820 3    371919 3      C-13-H3C(O)CH3
  525678.6103  0.0035 -3.6552 3  371.7466616  595161404381820 1    371919 1      C-13-H3C(O)CH3
  525692.5096  0.0036 -3.6553 3  371.7426616  595161404381820 2    371919 2      C-13-H3C(O)CH3
  525694.6568  0.0029 -3.6553 3  371.7712616  595161404381820 0    371919 0      C-13-H3C(O)CH3
  525709.4487  0.0787 -5.6652 3 1203.8375612  595161404761462 3    761463 3      C-13-H3C(O)CH3
  525709.4487  0.0787 -5.6652 3 1203.8375612  595161404761562 3    761363 3      C-13-H3C(O)CH3
  525709.6791  0.0788 -6.0801 3 1203.8375612  595161404761462 4    761363 4      C-13-H3C(O)CH3
  525709.6791  0.0788 -5.8745 3 1203.8375612  595161404761462 4    761463 4      C-13-H3C(O)CH3
  525709.6791  0.0788 -5.8745 3 1203.8375612  595161404761562 4    761363 4      C-13-H3C(O)CH3
  525709.6791  0.0788 -6.0801 3 1203.8375612  595161404761562 4    761463 4      C-13-H3C(O)CH3
  525715.5024  0.0936 -6.4958 3  922.1465468  595161404583524 4    583227 4      C-13-H3C(O)CH3
  525720.6940  0.0035 -3.9562 3  371.7167308  595161404381920 4    371819 4      C-13-H3C(O)CH3
  525720.9235  0.0035 -3.9562 3  371.7168308  595161404381920 3    371819 3      C-13-H3C(O)CH3
  525721.1970  0.0035 -3.6551 3  371.7454616  595161404381920 1    371819 1      C-13-H3C(O)CH3
  525733.2764  0.0923 -6.4957 3  922.1465468  595161404583524 3    583227 3      C-13-H3C(O)CH3
  525736.6191  0.0036 -3.6552 3  371.7415616  595161404381920 2    371819 2      C-13-H3C(O)CH3
  525736.8579  0.0029 -3.6552 3  371.7701616  595161404381920 0    371819 0      C-13-H3C(O)CH3
  525777.7121  0.0699 -6.4321 3 1027.0534936  595161404584910 1    5750 8 1      C-13-H3C(O)CH3
  525807.2012  0.0463 -6.3266 3  457.8560332  595161404412516 4    402614 4      C-13-H3C(O)CH3
  525831.7608  0.4156 -6.4629 3  985.2853968  595161404603525 1    593822 1      C-13-H3C(O)CH3
  525892.9781  0.0808 -6.4327 3 1027.0371936  595161404584910 2    5750 8 2      C-13-H3C(O)CH3
  525895.7330  0.0532 -6.1744 3  660.4593776  595161404483513 0    483216 0      C-13-H3C(O)CH3
  525913.3993  0.5820 -6.4637 3  985.2858968  595161404603525 2    593822 2      C-13-H3C(O)CH3
  525924.1258  0.0556 -5.8840 3  586.4153372  595161404463016 4    453115 4      C-13-H3C(O)CH3
  525953.0132  0.0789 -5.3254 3 1158.1882C08  595161404751462 0    751263 0      C-13-H3C(O)CH3
  525953.0132  0.0789 -5.3254 3 1158.1882C08  595161404751362 0    751363 0      C-13-H3C(O)CH3
  525973.1285  0.0742 -6.4325 3 1027.0585936  5951614045849 9 1    5750 7 1      C-13-H3C(O)CH3
  525998.2188  0.0422 -6.3555 3  457.8700664  595161404412516 2    402614 2      C-13-H3C(O)CH3
  526007.7070  0.0712 -6.4318 3 1027.0312936  595161404584910 0    5750 7 0      C-13-H3C(O)CH3
  526007.7070  0.0712 -6.4318 3 1027.0312936  5951614045849 9 0    5750 8 0      C-13-H3C(O)CH3
  526018.8328  0.0769 -5.7377 3  614.2500760  595161404473117 2    463214 2      C-13-H3C(O)CH3
  526033.7527  0.0100 -6.4402 3  326.9875292  595161404361620 4    361323 4      C-13-H3C(O)CH3
  526033.9797  0.0098 -6.4402 3  326.9875292  595161404361620 3    361323 3      C-13-H3C(O)CH3
  526034.7648  0.0100 -6.4402 3  326.9875292  595161404361720 4    361423 4      C-13-H3C(O)CH3
  526034.9960  0.0098 -6.4402 3  326.9875292  595161404361720 3    361423 3      C-13-H3C(O)CH3
  526040.6110  0.0490 -4.9119 3  482.0791340  595161404422616 3    412715 3      C-13-H3C(O)CH3
  526051.4755  0.0095 -6.1400 3  327.0119584  595161404361620 2    361323 2      C-13-H3C(O)CH3
  526052.4791  0.0095 -6.1400 3  327.0119584  595161404361720 2    361423 2      C-13-H3C(O)CH3
  526071.7022  0.0038 -3.8840 3  395.2936324  595161404401624 4    391723 4      C-13-H3C(O)CH3
  526071.7155  0.0038 -3.8840 3  395.2936324  595161404401724 4    391623 4      C-13-H3C(O)CH3
  526071.7785  0.0038 -3.8840 3  395.2937324  595161404401624 3    391723 3      C-13-H3C(O)CH3
  526071.7920  0.0038 -3.8840 3  395.2937324  595161404401724 3    391623 3      C-13-H3C(O)CH3
  526072.3968  0.0039 -3.5830 3  395.3227648  595161404401624 1    391723 1      C-13-H3C(O)CH3
  526072.4089  0.0039 -3.5830 3  395.3227648  595161404401724 1    391623 1      C-13-H3C(O)CH3
  526078.8020  0.0039 -3.5830 3  395.3205648  595161404401624 2    391723 2      C-13-H3C(O)CH3
  526078.8148  0.0039 -3.5830 3  395.3205648  595161404401724 2    391623 2      C-13-H3C(O)CH3
  526079.4105  0.0032 -3.5831 3  395.3494648  595161404401624 0    391723 0      C-13-H3C(O)CH3
  526079.4220  0.0032 -3.5831 3  395.3494648  595161404401724 0    391623 0      C-13-H3C(O)CH3
  526086.7320  0.0095 -6.1386 3  327.0138584  595161404361620 1    361323 1      C-13-H3C(O)CH3
  526087.6915  0.0095 -6.1386 3  327.0138584  595161404361720 1    361423 1      C-13-H3C(O)CH3
  526094.3961  0.0933 -5.3349 3 1158.1791C08  595161404751362 1    751263 1      C-13-H3C(O)CH3
  526094.3961  0.0933 -6.3856 3 1158.1791C08  595161404751362 1    751363 1      C-13-H3C(O)CH3
  526094.3961  0.0933 -6.3856 3 1158.1791C08  595161404751462 1    751263 1      C-13-H3C(O)CH3
  526094.3961  0.0933 -5.3349 3 1158.1791C08  595161404751462 1    751363 1      C-13-H3C(O)CH3
  526095.2759  0.0936 -5.5580 3 1158.1789C08  595161404751462 2    751363 2      C-13-H3C(O)CH3
  526095.2759  0.0936 -5.5580 3 1158.1789C08  595161404751362 2    751263 2      C-13-H3C(O)CH3
  526095.2759  0.0936 -5.6441 3 1158.1789C08  595161404751362 2    751363 2      C-13-H3C(O)CH3
  526095.2759  0.0936 -5.6441 3 1158.1789C08  595161404751462 2    751263 2      C-13-H3C(O)CH3
  526097.2397  0.0037 -4.0181 3  358.8800300  595161404371918 3    362017 3      C-13-H3C(O)CH3
  526097.8661  0.0036 -4.0181 3  358.8800300  595161404371918 4    362017 4      C-13-H3C(O)CH3
  526104.2679  0.0084 -6.1389 3  327.0382584  595161404361620 0    361323 0      C-13-H3C(O)CH3
  526105.2159  0.0084 -6.1389 3  327.0382584  595161404361720 0    361423 0      C-13-H3C(O)CH3
  526116.6879  0.0034 -3.7169 3  358.9083600  595161404371918 1    362017 1      C-13-H3C(O)CH3
  526125.5032  0.0038 -3.7172 3  358.9029600  595161404371918 2    362017 2      C-13-H3C(O)CH3
  526144.7221  0.0030 -3.7170 3  358.9312600  595161404371918 0    362017 0      C-13-H3C(O)CH3
  526172.6639  0.0545 -6.2125 3  660.4771776  595161404483513 1    483216 1      C-13-H3C(O)CH3
  526207.0363  0.0030 -5.9400 3  460.7332396 -59516140449 643 3    48 642 3      C-13-H3C(O)CH3
  526207.0363  0.0031 -4.3996 3  460.7332396 -59516140449 643 4    48 742 4      C-13-H3C(O)CH3
  526207.0363  0.0031 -4.3996 3  460.7332396 -59516140449 743 4    48 642 4      C-13-H3C(O)CH3
  526207.0363  0.0030 -3.7116 3  460.7332396 -59516140449 643 3    48 742 3      C-13-H3C(O)CH3
  526207.0363  0.0030 -3.7116 3  460.7332396 -59516140449 743 3    48 642 3      C-13-H3C(O)CH3
  526207.0363  0.0031 -3.8081 3  460.7332396 -59516140449 643 4    48 642 4      C-13-H3C(O)CH3
  526207.0363  0.0031 -3.8081 3  460.7332396 -59516140449 743 4    48 742 4      C-13-H3C(O)CH3
  526207.0363  0.0030 -5.9400 3  460.7332396 -59516140449 743 3    48 742 3      C-13-H3C(O)CH3
  526207.1668  0.0461 -6.1970 3  660.4909776  595161404483513 2    483216 2      C-13-H3C(O)CH3
  526236.2668  0.0038 -3.4440 3  460.7517792 -59516140449 643 2    48 742 2      C-13-H3C(O)CH3
  526236.2668  0.0040 -3.6566 3  460.7521792 -59516140449 743 1    48 742 1      C-13-H3C(O)CH3
  526236.2668  0.0038 -3.4440 3  460.7517792 -59516140449 743 2    48 642 2      C-13-H3C(O)CH3
  526236.2668  0.0038 -4.5078 3  460.7517792 -59516140449 643 2    48 642 2      C-13-H3C(O)CH3
  526236.2668  0.0040 -3.7688 3  460.7521792 -59516140449 643 1    48 742 1      C-13-H3C(O)CH3
  526236.2668  0.0040 -3.7688 3  460.7521792 -59516140449 743 1    48 642 1      C-13-H3C(O)CH3
  526236.2668  0.0040 -3.6566 3  460.7521792 -59516140449 643 1    48 642 1      C-13-H3C(O)CH3
  526236.2668  0.0038 -4.5078 3  460.7517792 -59516140449 743 2    48 742 2      C-13-H3C(O)CH3
  526236.8153  0.0720 -6.2346 3 1158.1698604  595161404751362 3    751263 3      C-13-H3C(O)CH3
  526236.8153  0.0720 -5.7128 3 1158.1698604  595161404751362 3    751363 3      C-13-H3C(O)CH3
  526236.8153  0.0720 -5.7128 3 1158.1698604  595161404751462 3    751263 3      C-13-H3C(O)CH3
  526236.8153  0.0720 -6.2346 3 1158.1698604  595161404751462 3    751363 3      C-13-H3C(O)CH3
  526237.0391  0.0720 -6.2176 3 1158.1698604  595161404751462 4    751363 4      C-13-H3C(O)CH3
  526237.0391  0.0720 -6.2176 3 1158.1698604  595161404751362 4    751263 4      C-13-H3C(O)CH3
  526237.0391  0.0720 -5.7181 3 1158.1698604  595161404751362 4    751363 4      C-13-H3C(O)CH3
  526237.0391  0.0720 -5.7181 3 1158.1698604  595161404751462 4    751263 4      C-13-H3C(O)CH3
  526237.1298  0.0749 -6.4325 3 1027.0491936  5951614045849 9 2    5750 7 2      C-13-H3C(O)CH3
  526259.5066  0.0451 -6.4821 3  660.5162388  595161404483513 4    483216 4      C-13-H3C(O)CH3
  526265.2948  0.0029 -4.5478 3  460.7706792 -59516140449 643 0    48 742 0      C-13-H3C(O)CH3
  526265.2948  0.0029 -3.4407 3  460.7706792 -59516140449 643 0    48 642 0      C-13-H3C(O)CH3
  526265.2948  0.0029 -3.4407 3  460.7706792 -59516140449 743 0    48 742 0      C-13-H3C(O)CH3
  526265.2948  0.0029 -4.5478 3  460.7706792 -59516140449 743 0    48 642 0      C-13-H3C(O)CH3
  526306.0902  0.0412 -4.6299 3  482.0893680  595161404422616 2    412715 2      C-13-H3C(O)CH3
  526317.1493  0.1706 -6.4925 3 1832.2046E32  595161404892763 1    892564 1      C-13-H3C(O)CH3
  526321.4992  0.0312 -6.3115 3  517.2046680  5951614044233 9 2    423012 2      C-13-H3C(O)CH3
  526322.0251  0.1693 -6.4905 3 1832.2086E32  595161404892663 2    892664 2      C-13-H3C(O)CH3
  526322.0251  0.1693 -6.4488 3 1832.2086E32  595161404892763 2    892564 2      C-13-H3C(O)CH3
  526352.7655  0.0413 -4.9582 3  482.0694340  595161404422616 4    412715 4      C-13-H3C(O)CH3
  526444.7299  0.0303 -6.3122 3  517.1603680  595161404423310 1    423013 1      C-13-H3C(O)CH3
  526454.2347  0.0641 -6.0950 3 1113.1117B92  595161404741362 0    741263 0      C-13-H3C(O)CH3
  526454.2347  0.0641 -6.0950 3 1113.1117B92  595161404741262 0    741163 0      C-13-H3C(O)CH3
  526454.2347  0.0641 -5.3012 3 1113.1117B92  595161404741262 0    741263 0      C-13-H3C(O)CH3
  526454.2347  0.0641 -5.3012 3 1113.1117B92  595161404741362 0    741163 0      C-13-H3C(O)CH3
  526481.8019  0.0257 -6.3053 3  510.8345696  595161404432815 0    432320 0      C-13-H3C(O)CH3
  526483.8285  0.0528 -5.5740 3  614.2325760  595161404473117 1    463214 1      C-13-H3C(O)CH3
  526547.8792  0.0077 -6.3682 3   78.1340148  5951614041812 7 4    17 710 4      C-13-H3C(O)CH3
  526558.1198  0.0292 -6.3133 3  517.1828680  5951614044233 9 0    423012 0      C-13-H3C(O)CH3
  526564.6341  0.0317 -6.3109 3  517.1859680  5951614044233 9 1    423012 1      C-13-H3C(O)CH3
  526570.9618  0.0045 -4.4351 3  142.4333196  595161404241212 3    231113 3      C-13-H3C(O)CH3
  526573.7842  0.0062 -4.4351 3  142.4333196  595161404241212 4    231113 4      C-13-H3C(O)CH3
  526575.2746  0.0292 -6.3133 3  517.1822680  595161404423310 0    423013 0      C-13-H3C(O)CH3
  526598.9204  0.0742 -5.2370 3 1113.0966B92  595161404741362 1    741163 1      C-13-H3C(O)CH3
  526598.9204  0.0742 -5.2370 3 1113.0966B92  595161404741262 1    741263 1      C-13-H3C(O)CH3
  526599.0274  0.0742 -5.2361 3 1113.0964B92  595161404741362 2    741263 2      C-13-H3C(O)CH3
  526599.0274  0.0742 -5.2361 3 1113.0964B92  595161404741262 2    741163 2      C-13-H3C(O)CH3
  526651.2284  0.0527 -6.1734 3  660.4341776  595161404483514 0    483217 0      C-13-H3C(O)CH3
  526693.5199  0.0302 -6.3149 3  517.1703680  595161404423310 2    423013 2      C-13-H3C(O)CH3
  526695.9463  0.0237 -4.6125 3  482.0873680  595161404422616 1    412715 1      C-13-H3C(O)CH3
  526704.0805  0.0043 -4.1338 3  142.4258392  595161404241212 2    231113 2      C-13-H3C(O)CH3
  526704.8818  0.0534 -6.2133 3  660.4329776  595161404483514 1    483217 1      C-13-H3C(O)CH3
  526736.9463  0.0658 -5.5961 3  614.2392380  595161404473117 3    463214 3      C-13-H3C(O)CH3
  526740.6842  0.0039 -3.8587 3  406.1392332  595161404411526 4    401625 4      C-13-H3C(O)CH3
  526740.6844  0.0039 -3.8587 3  406.1392332  595161404411626 4    401525 4      C-13-H3C(O)CH3
  526740.7513  0.0039 -3.8587 3  406.1392332  595161404411526 3    401625 3      C-13-H3C(O)CH3
  526740.7514  0.0039 -3.8587 3  406.1392332  595161404411626 3    401525 3      C-13-H3C(O)CH3
  526742.1106  0.0040 -3.5577 3  406.1684664  595161404411526 1    401625 1      C-13-H3C(O)CH3
  526742.1108  0.0040 -3.5577 3  406.1684664  595161404411626 1    401525 1      C-13-H3C(O)CH3
  526743.8620  0.0654 -5.5489 3 1113.0814596  595161404741262 3    741263 3      C-13-H3C(O)CH3
  526743.8620  0.0654 -5.5489 3 1113.0814596  595161404741362 3    741163 3      C-13-H3C(O)CH3
  526744.0599  0.0655 -5.5675 3 1113.0813596  595161404741362 4    741263 4      C-13-H3C(O)CH3
  526744.0599  0.0655 -5.5675 3 1113.0813596  595161404741262 4    741163 4      C-13-H3C(O)CH3
  526746.7317  0.0041 -3.5578 3  406.1667664  595161404411526 2    401625 2      C-13-H3C(O)CH3
  526746.7319  0.0041 -3.5578 3  406.1667664  595161404411626 2    401525 2      C-13-H3C(O)CH3
  526748.0884  0.0032 -3.5578 3  406.1958664  595161404411526 0    401625 0      C-13-H3C(O)CH3
  526748.0885  0.0032 -3.5578 3  406.1958664  595161404411626 0    401525 0      C-13-H3C(O)CH3
  526757.1881  0.0224 -6.3472 3  485.4405680  595161404422715 0    422220 0      C-13-H3C(O)CH3
  526767.9887  0.0043 -4.1338 3  142.4286392  595161404241212 1    231113 1      C-13-H3C(O)CH3
  526785.3207  0.0074 -6.1025 3  150.8616196  5951614042416 8 4    231310 4      C-13-H3C(O)CH3
  526800.6512  0.0242 -4.6043 3  482.1026680  595161404422616 0    412715 0      C-13-H3C(O)CH3
  526821.0965  0.0057 -6.3586 3   78.1340148  5951614041812 7 3    17 710 3      C-13-H3C(O)CH3
  526822.6617  0.0268 -6.3101 3  510.8143696  595161404432815 1    432320 1      C-13-H3C(O)CH3
  526832.7343  0.0128 -5.6500 3  107.1203164  5951614042016 5 4    1913 7 4      C-13-H3C(O)CH3
  526870.8766  0.0337 -5.6129 3  817.2108856  595161404534014 0    524111 0      C-13-H3C(O)CH3
  526870.8839  0.0337 -5.6129 3  817.2108856  595161404534013 0    524112 0      C-13-H3C(O)CH3
  526882.7992  0.0080 -4.0340 3  174.8760424  595161404261511 2    251412 2      C-13-H3C(O)CH3
  526891.9127  0.0085 -6.2161 3  150.8588392  5951614042416 8 1    231310 1      C-13-H3C(O)CH3
  526899.8276  0.0044 -4.1334 3  142.4212392  595161404241212 0    231113 0      C-13-H3C(O)CH3
  526913.4327  0.0136 -5.3350 3  117.2691344  5951614042116 5 1    2013 7 1      C-13-H3C(O)CH3
  526918.1293  0.0100 -5.0661 3  117.2494344  5951614042116 6 0    2013 7 0      C-13-H3C(O)CH3
  526950.4887  0.0506 -5.6053 3 1068.6149B76  595161404731262 0    731063 0      C-13-H3C(O)CH3
  526950.4887  0.0506 -5.3827 3 1068.6149B76  595161404731262 0    731163 0      C-13-H3C(O)CH3
  526950.4887  0.0506 -5.3827 3 1068.6149B76  595161404731162 0    731063 0      C-13-H3C(O)CH3
  526950.4887  0.0506 -5.6053 3 1068.6149B76  595161404731162 0    731163 0      C-13-H3C(O)CH3
  526979.4728  0.0073 -4.0339 3  174.8820424  595161404261511 0    251412 0      C-13-H3C(O)CH3
  526988.1219  0.0379 -5.6131 3  817.2390856  595161404534013 1    524111 1      C-13-H3C(O)CH3
  527001.6887  0.0231 -6.3479 3  485.4191680  595161404422715 1    422220 1      C-13-H3C(O)CH3
  527034.8054  0.0400 -5.5070 3  614.2293380  595161404473117 3    463215 3      C-13-H3C(O)CH3
  527037.4109  0.0576 -6.2284 3  980.8949920  595161404574711 1    5648 9 1      C-13-H3C(O)CH3
  527042.9492  0.0348 -5.6130 3  817.2281856  595161404534014 1    524112 1      C-13-H3C(O)CH3
  527047.3497  0.0370 -5.6127 3  817.2423856  595161404534014 2    524111 2      C-13-H3C(O)CH3
  527048.3100  0.0102 -4.3356 3  174.8745212  595161404261511 3    251412 3      C-13-H3C(O)CH3
  527048.3268  0.0574 -6.1990 3  660.4352776  595161404483514 2    483217 2      C-13-H3C(O)CH3
  527064.8810  0.1557 -6.3630 3 1779.0690E16  595161404882663 1    882464 1      C-13-H3C(O)CH3
  527064.8810  0.1557 -6.3630 3 1779.0690E16  595161404882563 1    882564 1      C-13-H3C(O)CH3
  527066.2429  0.0117 -4.3356 3  174.8745212  595161404261511 4    251412 4      C-13-H3C(O)CH3
  527071.6483  0.1551 -6.4405 3 1779.0726E16  595161404882563 2    882464 2      C-13-H3C(O)CH3
  527071.6483  0.1551 -6.4405 3 1779.0726E16  595161404882663 2    882564 2      C-13-H3C(O)CH3
  527073.2464  0.0174 -5.5960 3  117.2846172  5951614042116 5 4    2013 7 4      C-13-H3C(O)CH3
  527089.8702  0.0581 -5.2599 3 1068.5940B76  595161404731262 2    731063 2      C-13-H3C(O)CH3
  527089.8702  0.0581 -5.9456 3 1068.5940B76  595161404731162 2    731063 2      C-13-H3C(O)CH3
  527089.8702  0.0581 -5.9456 3 1068.5940B76  595161404731262 2    731163 2      C-13-H3C(O)CH3
  527089.8702  0.0581 -5.2599 3 1068.5940B76  595161404731162 2    731163 2      C-13-H3C(O)CH3
  527090.2419  0.0586 -5.1791 3 1068.5942B76  595161404731262 1    731063 1      C-13-H3C(O)CH3
  527090.2419  0.0586 -5.1791 3 1068.5942B76  595161404731162 1    731163 1      C-13-H3C(O)CH3
  527115.2428  0.1734 -6.3308 3 1779.0520E16  595161404882663 0    882464 0      C-13-H3C(O)CH3
  527115.2428  0.1734 -6.3308 3 1779.0520E16  595161404882563 0    882564 0      C-13-H3C(O)CH3
  527130.3949  0.0330 -6.3196 3  510.8093696  595161404432815 2    432320 2      C-13-H3C(O)CH3
  527133.4570  0.4626 -6.4433 3  985.2565968  595161404603525 0    593822 0      C-13-H3C(O)CH3
  527141.9012  0.0059 -6.0587 3   78.1032296  5951614041812 7 1    17 710 1      C-13-H3C(O)CH3
  527144.9353  0.0299 -4.9473 3  614.2127760  595161404473117 0    463214 0      C-13-H3C(O)CH3
  527150.1670  0.0083 -4.0345 3  174.8806424  595161404261511 1    251412 1      C-13-H3C(O)CH3
  527153.3605  0.0231 -6.3510 3  485.4146680  595161404422715 2    422220 2      C-13-H3C(O)CH3
  527164.4209  0.0472 -5.9139 3  817.2705428  595161404534013 3    524111 3      C-13-H3C(O)CH3
  527170.7333  0.0378 -5.6130 3  817.2406856  595161404534013 2    524112 2      C-13-H3C(O)CH3
  527183.2678  0.0138 -5.3513 3  117.2628344  5951614042116 5 2    2013 7 2      C-13-H3C(O)CH3
  527193.2762  0.0516 -6.2280 3  980.8724920  595161404574710 0    5648 9 0      C-13-H3C(O)CH3
  527193.2762  0.0516 -6.2280 3  980.8724920  595161404574711 0    5648 8 0      C-13-H3C(O)CH3
  527194.4417  0.0051 -4.8013 3  103.3801180  59516140422 715 3    21 616 3      C-13-H3C(O)CH3
  527194.4606  0.0051 -4.8013 3  103.3801180  59516140422 815 3    21 516 3      C-13-H3C(O)CH3
  527194.4877  0.0068 -4.8013 3  103.3801180  59516140422 715 4    21 616 4      C-13-H3C(O)CH3
  527194.5063  0.0068 -4.8013 3  103.3801180  59516140422 815 4    21 516 4      C-13-H3C(O)CH3
  527215.9181  0.0644 -6.2289 3  980.8802920  595161404574711 2    5648 9 2      C-13-H3C(O)CH3
  527216.1568  0.0060 -6.0577 3   78.1013296  5951614041812 7 2    17 710 2      C-13-H3C(O)CH3
  527219.2287  0.0441 -5.9138 3  817.2595428  595161404534014 4    524112 4      C-13-H3C(O)CH3
  527229.7573  0.0592 -5.4792 3 1068.5732588  595161404731262 3    731063 3      C-13-H3C(O)CH3
  527229.7573  0.0592 -5.4792 3 1068.5732588  595161404731162 3    731163 3      C-13-H3C(O)CH3
  527229.9044  0.0592 -5.4800 3 1068.5732588  595161404731262 4    731063 4      C-13-H3C(O)CH3
  527229.9044  0.0592 -5.4800 3 1068.5732588  595161404731162 4    731163 4      C-13-H3C(O)CH3
  527245.7119  0.0445 -5.2807 3  614.1979380  595161404473117 4    463215 4      C-13-H3C(O)CH3
  527255.0121  0.0607 -6.2286 3  980.8972920  595161404574710 1    5648 8 1      C-13-H3C(O)CH3
  527256.8277  0.0366 -5.0235 3  614.2087760  595161404473117 2    463215 2      C-13-H3C(O)CH3
  527274.6571  0.0547 -5.1865 3  554.5180364  595161404452818 4    442915 4      C-13-H3C(O)CH3
  527289.5755  0.0514 -5.9143 3  817.2687428  595161404534013 4    524111 4      C-13-H3C(O)CH3
  527312.9559  0.0030 -3.7437 3  465.9776404  59516140450 545 4    49 644 4      C-13-H3C(O)CH3
  527312.9559  0.0030 -4.6746 3  465.9776404  59516140450 645 4    49 644 4      C-13-H3C(O)CH3
  527312.9796  0.0030 -3.7516 3  465.9776404 -59516140450 645 3    49 544 3      C-13-H3C(O)CH3
  527312.9796  0.0030 -3.7437 3  465.9776404 -59516140450 645 4    49 544 4      C-13-H3C(O)CH3
  527312.9796  0.0030 -4.6746 3  465.9776404 -59516140450 545 4    49 544 4      C-13-H3C(O)CH3
  527312.9796  0.0030 -4.6132 3  465.9776404 -59516140450 545 3    49 544 3      C-13-H3C(O)CH3
  527313.0007  0.0030 -4.6132 3  465.9776404  59516140450 645 3    49 644 3      C-13-H3C(O)CH3
  527313.0007  0.0030 -3.7516 3  465.9776404  59516140450 545 3    49 644 3      C-13-H3C(O)CH3
  527325.0984  0.0676 -6.4852 3  660.4264388  595161404483514 4    483217 4      C-13-H3C(O)CH3
  527343.0616  0.0457 -5.9142 3  817.2579428  595161404534014 3    524112 3      C-13-H3C(O)CH3
  527344.1665  0.0038 -3.4943 3  465.9910808  59516140450 645 1    49 644 1      C-13-H3C(O)CH3
  527344.1665  0.0038 -4.0823 3  465.9910808  59516140450 545 1    49 644 1      C-13-H3C(O)CH3
  527344.4059  0.0038 -4.0823 3  465.9910808 -59516140450 645 1    49 544 1      C-13-H3C(O)CH3
  527344.4059  0.0037 -3.4102 3  465.9905808 -59516140450 645 2    49 544 2      C-13-H3C(O)CH3
  527344.4059  0.0038 -3.4943 3  465.9910808 -59516140450 545 1    49 544 1      C-13-H3C(O)CH3
  527344.4059  0.0037 -4.8453 3  465.9905808 -59516140450 545 2    49 544 2      C-13-H3C(O)CH3
  527344.5074  0.0037 -4.8453 3  465.9905808  59516140450 645 2    49 644 2      C-13-H3C(O)CH3
  527344.5074  0.0037 -3.4102 3  465.9905808  59516140450 545 2    49 644 2      C-13-H3C(O)CH3
  527375.6240  0.0029 -4.1325 3  466.0039808 -59516140450 645 0    49 544 0      C-13-H3C(O)CH3
  527375.6240  0.0029 -3.4822 3  466.0039808 -59516140450 545 0    49 544 0      C-13-H3C(O)CH3
  527375.6260  0.0029 -3.4822 3  466.0039808  59516140450 645 0    49 644 0      C-13-H3C(O)CH3
  527375.6260  0.0029 -4.1325 3  466.0039808  59516140450 545 0    49 644 0      C-13-H3C(O)CH3
  527392.9366  0.0128 -5.9767 3  488.2009696  595161404432221 0    431924 0      C-13-H3C(O)CH3
  527428.4531  0.0299 -5.0640 3  614.2010760  595161404473117 1    463215 1      C-13-H3C(O)CH3
  527434.3579  0.0057 -4.4344 3  142.4324196  595161404241312 4    231013 4      C-13-H3C(O)CH3
  527435.1812  0.0042 -4.4344 3  142.4324196  595161404241312 3    231013 3      C-13-H3C(O)CH3
  527438.6094  0.0171 -5.9768 3  488.1751696  595161404432221 2    431924 2      C-13-H3C(O)CH3
  527445.0213  0.0398 -5.5838 3 1024.6982B60  595161404721162 0    721063 0      C-13-H3C(O)CH3
  527445.0213  0.0398 -5.3121 3 1024.6982B60  595161404721162 0    72 963 0      C-13-H3C(O)CH3
  527445.0213  0.0398 -5.5838 3 1024.6982B60  595161404721062 0    72 963 0      C-13-H3C(O)CH3
  527445.0213  0.0398 -5.3121 3 1024.6982B60  595161404721062 0    721063 0      C-13-H3C(O)CH3
  527484.8683  0.0138 -5.9760 3  488.1772696  595161404432221 1    431924 1      C-13-H3C(O)CH3
  527486.2620  0.0606 -6.2285 3  980.8945920  595161404574710 2    5648 8 2      C-13-H3C(O)CH3
  527490.3696  0.0036 -3.7141 3  358.8732600  595161404372018 1    361917 1      C-13-H3C(O)CH3
  527506.2525  0.0034 -4.0152 3  358.8440300  595161404372018 4    361917 4      C-13-H3C(O)CH3
  527507.8463  0.0036 -4.0152 3  358.8440300  595161404372018 3    361917 3      C-13-H3C(O)CH3
  527510.5094  0.0128 -5.9766 3  488.2009696  595161404432321 0    432024 0      C-13-H3C(O)CH3
  527518.7613  0.0031 -3.7142 3  358.8960600  595161404372018 0    361917 0      C-13-H3C(O)CH3
  527530.7180  0.0180 -6.2769 3  488.1513348  595161404432221 3    431924 3      C-13-H3C(O)CH3
  527531.0799  0.0180 -6.2769 3  488.1513348  595161404432221 4    431924 4      C-13-H3C(O)CH3
  527536.1548  0.0035 -3.7143 3  358.8668600  595161404372018 2    361917 2      C-13-H3C(O)CH3
  527544.7408  0.0054 -4.4994 3  103.3498360  59516140422 715 2    21 616 2      C-13-H3C(O)CH3
  527544.7604  0.0054 -4.4994 3  103.3498360  59516140422 815 2    21 516 2      C-13-H3C(O)CH3
  527555.2454  0.0039 -3.8374 3  416.3939340  595161404421428 4    411527 4      C-13-H3C(O)CH3
  527555.2454  0.0039 -3.8374 3  416.3939340  595161404421528 4    411427 4      C-13-H3C(O)CH3
  527555.3091  0.0040 -3.8374 3  416.3939340  595161404421528 3    411427 3      C-13-H3C(O)CH3
  527555.3091  0.0040 -3.8374 3  416.3939340  595161404421428 3    411527 3      C-13-H3C(O)CH3
  527558.0869  0.0042 -3.5364 3  416.4233680  595161404421528 1    411427 1      C-13-H3C(O)CH3
  527558.0869  0.0042 -3.5365 3  416.4233680  595161404421428 1    411527 1      C-13-H3C(O)CH3
  527558.9811  0.0053 -4.4995 3  103.3507360  59516140422 715 1    21 616 1      C-13-H3C(O)CH3
  527558.9996  0.0053 -4.4995 3  103.3507360  59516140422 815 1    21 516 1      C-13-H3C(O)CH3
  527561.5266  0.0042 -3.5364 3  416.4219680  595161404421528 2    411427 2      C-13-H3C(O)CH3
  527561.5266  0.0042 -3.5364 3  416.4219680  595161404421428 2    411527 2      C-13-H3C(O)CH3
  527562.3236  0.0169 -5.9767 3  488.1751696  595161404432321 2    432024 2      C-13-H3C(O)CH3
  527564.3043  0.0033 -3.5367 3  416.4513680  595161404421428 0    411527 0      C-13-H3C(O)CH3
  527564.3043  0.0033 -3.5367 3  416.4513680  595161404421528 0    411427 0      C-13-H3C(O)CH3
  527568.9396  0.0493 -6.4145 3 1024.6724B60  595161404721162 2    72 963 2      C-13-H3C(O)CH3
  527568.9396  0.0493 -5.1486 3 1024.6724B60  595161404721162 2    721063 2      C-13-H3C(O)CH3
  527568.9396  0.0493 -6.4145 3 1024.6724B60  595161404721062 2    721063 2      C-13-H3C(O)CH3
  527568.9396  0.0493 -5.1486 3 1024.6724B60  595161404721062 2    72 963 2      C-13-H3C(O)CH3
  527569.4712  0.0503 -6.3441 3 1024.6725B60  595161404721162 1    721063 1      C-13-H3C(O)CH3
  527569.4712  0.0503 -5.1527 3 1024.6725B60  595161404721062 1    721063 1      C-13-H3C(O)CH3
  527569.4712  0.0503 -6.3441 3 1024.6725B60  595161404721062 1    72 963 1      C-13-H3C(O)CH3
  527569.4712  0.0503 -5.1527 3 1024.6725B60  595161404721162 1    72 963 1      C-13-H3C(O)CH3
  527592.2191  0.0041 -4.1330 3  142.4249392  595161404241312 2    231013 2      C-13-H3C(O)CH3
  527605.5400  0.0139 -5.9758 3  488.1772696  595161404432321 1    432024 1      C-13-H3C(O)CH3
  527632.7615  0.0041 -4.1330 3  142.4277392  595161404241312 1    231013 1      C-13-H3C(O)CH3
  527657.7327  0.0176 -6.2768 3  488.1513348  595161404432321 3    432024 3      C-13-H3C(O)CH3
  527657.8012  0.0177 -6.2768 3  488.1513348  595161404432321 4    432024 4      C-13-H3C(O)CH3
  527676.1442  0.0057 -6.0534 3   78.0706296  5951614041812 7 0    17 710 0      C-13-H3C(O)CH3
  527693.5006  0.0534 -5.8261 3 1024.6466580  595161404721062 3    72 963 3      C-13-H3C(O)CH3
  527693.5006  0.0534 -5.6471 3 1024.6466580  595161404721062 3    721063 3      C-13-H3C(O)CH3
  527693.5006  0.0534 -5.6471 3 1024.6466580  595161404721162 3    72 963 3      C-13-H3C(O)CH3
  527693.5006  0.0534 -5.8261 3 1024.6466580  595161404721162 3    721063 3      C-13-H3C(O)CH3
  527693.5672  0.0534 -5.4397 3 1024.6466580  595161404721162 4    721063 4      C-13-H3C(O)CH3
  527693.5672  0.0534 -5.4397 3 1024.6466580  595161404721062 4    72 963 4      C-13-H3C(O)CH3
  527746.0360  0.0409 -4.8310 3  554.5136728  595161404452818 2    442915 2      C-13-H3C(O)CH3
  527789.8387  0.0043 -4.1326 3  142.4202392  595161404241312 0    231013 0      C-13-H3C(O)CH3
  527790.1405  0.1519 -6.4980 3 1726.5011E00  595161404872463 1    872364 1      C-13-H3C(O)CH3
  527798.3320  0.1510 -6.2632 3 1726.5043E00  595161404872563 2    872364 2      C-13-H3C(O)CH3
  527798.3320  0.1510 -6.2632 3 1726.5043E00  595161404872463 2    872464 2      C-13-H3C(O)CH3
  527831.9561  0.1632 -6.2341 3 1726.4821E00  595161404872463 0    872464 0      C-13-H3C(O)CH3
  527831.9561  0.1632 -6.2341 3 1726.4821E00  595161404872563 0    872364 0      C-13-H3C(O)CH3
  527838.2772  0.2668 -6.4462 3  916.3255468  595161404583325 3    573622 3      C-13-H3C(O)CH3
  527856.4050  0.0328 -5.0887 3  554.5004364  595161404452818 3    442915 3      C-13-H3C(O)CH3
  527868.9235  0.0923 -5.7187 3  758.0021856  595161404533024 0    523121 0      C-13-H3C(O)CH3
  527907.9624  0.0344 -6.2225 3  586.4737728  595161404453411 2    453114 2      C-13-H3C(O)CH3
  527908.5143  0.0052 -4.4985 3  103.3205360  59516140422 715 0    21 616 0      C-13-H3C(O)CH3
  527908.5336  0.0052 -4.4985 3  103.3205360  59516140422 815 0    21 516 0      C-13-H3C(O)CH3
  527941.3883  0.0333 -5.8569 3  981.3618B44  59516140471 962 0    71 963 0      C-13-H3C(O)CH3
  527941.3883  0.0333 -5.1578 3  981.3618B44  59516140471 962 0    71 863 0      C-13-H3C(O)CH3
  527941.3883  0.0333 -5.1578 3  981.3618B44  595161404711062 0    71 963 0      C-13-H3C(O)CH3
  527941.3883  0.0333 -5.8569 3  981.3618B44  595161404711062 0    71 863 0      C-13-H3C(O)CH3
  527941.6508  0.0105 -5.4159 3  107.1208328  5951614042016 5 1    1913 7 1      C-13-H3C(O)CH3
  527987.6069  0.0359 -6.2226 3  586.4416728  595161404453411 0    453114 0      C-13-H3C(O)CH3
  527998.1806  0.2234 -6.4514 3  916.3203468  595161404583325 4    573622 4      C-13-H3C(O)CH3
  528027.9895  0.0367 -6.2228 3  586.4561728  595161404453411 1    453114 1      C-13-H3C(O)CH3
  528037.4249  0.0499 -5.0868 3  981.3322B44  59516140471 962 2    71 863 2      C-13-H3C(O)CH3
  528037.4249  0.0499 -5.0853 3  981.3322B44  595161404711062 2    71 963 2      C-13-H3C(O)CH3
  528037.8037  0.0509 -5.0800 3  981.3323B44  595161404711062 1    71 863 1      C-13-H3C(O)CH3
  528037.8037  0.0509 -5.0800 3  981.3323B44  59516140471 962 1    71 963 1      C-13-H3C(O)CH3
  528040.0518  0.0048 -3.4691 3  223.0965220  5951614042725 2 4    2624 2 4      C-13-H3C(O)CH3
  528084.0010  0.0215 -4.8044 3  554.5037728  595161404452818 1    442915 1      C-13-H3C(O)CH3
  528114.1110  0.0358 -6.2224 3  586.4374728  595161404453412 0    453115 0      C-13-H3C(O)CH3
  528123.2723  0.0151 -5.8486 3  107.1379164  5951614042016 5 3    1913 7 3      C-13-H3C(O)CH3
  528131.5657  0.0293 -5.2795 3  614.2706380  595161404473116 4    463214 4      C-13-H3C(O)CH3
  528132.8644  0.0383 -6.2240 3  586.4245728  595161404453412 1    453115 1      C-13-H3C(O)CH3
  528133.8741  0.0480 -5.3870 3  981.3025572  595161404711062 4    71 863 4      C-13-H3C(O)CH3
  528133.8741  0.0480 -5.3870 3  981.3025572  59516140471 962 4    71 963 4      C-13-H3C(O)CH3
  528133.9201  0.0480 -5.4124 3  981.3026572  595161404711062 3    71 963 3      C-13-H3C(O)CH3
  528133.9201  0.0480 -5.4124 3  981.3026572  59516140471 962 3    71 863 3      C-13-H3C(O)CH3
  528210.5500  0.0040 -3.1678 3  223.1490440 -5951614042725 2 2    2624 2 2      C-13-H3C(O)CH3
  528211.8938  0.0041 -3.1678 3  223.1302440 -5951614042725 2 1    2624 2 1      C-13-H3C(O)CH3
  528217.0376  0.0319 -5.0219 3  614.2500760  595161404473116 2    463214 2      C-13-H3C(O)CH3
  528249.7559  0.0046 -3.4687 3  223.0631220  5951614042725 3 3    2624 3 3      C-13-H3C(O)CH3
  528253.4865  0.0104 -5.4388 3  107.1237328  5951614042016 5 2    1913 7 2      C-13-H3C(O)CH3
  528309.3902  0.0157 -4.7805 3  554.5065728  595161404452818 0    442915 0      C-13-H3C(O)CH3
  528310.4792  0.0046 -3.4686 3  223.0763220  5951614042725 2 3    2624 2 3      C-13-H3C(O)CH3
  528342.0935  0.0450 -5.5046 3  614.2392380  595161404473116 3    463214 3      C-13-H3C(O)CH3
  528353.5457  0.0155 -5.8649 3  107.1379164  5951614042016 4 3    1913 7 3      C-13-H3C(O)CH3
  528382.7825  0.0037 -3.1675 3  223.1826440 -5951614042725 3 0    2624 2 0      C-13-H3C(O)CH3
  528382.7825  0.0037 -3.1675 3  223.1826440 -5951614042725 2 0    2624 3 0      C-13-H3C(O)CH3
  528402.9435  0.0339 -5.0623 3  614.2325760  595161404473116 1    463214 1      C-13-H3C(O)CH3
  528420.0514  0.0038 -3.1674 3  223.1155440 -5951614042725 3 2    2624 3 2      C-13-H3C(O)CH3
  528427.9791  0.0029 -5.1927 3  470.6835412  59516140451 447 4    50 446 4      C-13-H3C(O)CH3
  528427.9791  0.0029 -3.6957 3  470.6835412  59516140451 547 4    50 446 4      C-13-H3C(O)CH3
  528427.9964  0.0029 -5.1927 3  470.6835412 -59516140451 547 4    50 546 4      C-13-H3C(O)CH3
  528427.9964  0.0029 -3.6823 3  470.6835412 -59516140451 547 3    50 546 3      C-13-H3C(O)CH3
  528427.9964  0.0029 -3.6957 3  470.6835412 -59516140451 447 4    50 546 4      C-13-H3C(O)CH3
  528428.0081  0.0029 -3.6823 3  470.6835412  59516140451 447 3    50 446 3      C-13-H3C(O)CH3
  528443.4541  0.0315 -5.8429 3  938.6058B28  59516140470 962 0    70 763 0      C-13-H3C(O)CH3
  528443.4541  0.0315 -5.1117 3  938.6058B28  59516140470 862 0    70 763 0      C-13-H3C(O)CH3
  528443.4541  0.0315 -5.8429 3  938.6058B28  59516140470 862 0    70 863 0      C-13-H3C(O)CH3
  528443.4541  0.0315 -5.1117 3  938.6058B28  59516140470 962 0    70 863 0      C-13-H3C(O)CH3
  528452.0357  0.0843 -5.7134 3  757.9801856  595161404533024 1    523121 1      C-13-H3C(O)CH3
  528459.1344  0.0379 -6.2254 3  586.4303728  595161404453412 2    453115 2      C-13-H3C(O)CH3
  528460.1956  0.0038 -3.3954 3  470.6891824  59516140451 447 1    50 546 1      C-13-H3C(O)CH3
  528460.1956  0.0038 -4.8675 3  470.6891824  59516140451 547 1    50 546 1      C-13-H3C(O)CH3
  528460.4092  0.0037 -5.0681 3  470.6887824  59516140451 547 2    50 546 2      C-13-H3C(O)CH3
  528460.4092  0.0037 -3.3900 3  470.6887824  59516140451 447 2    50 546 2      C-13-H3C(O)CH3
  528460.4350  0.0037 -3.3900 3  470.6887824 -59516140451 547 2    50 446 2      C-13-H3C(O)CH3
  528460.4350  0.0038 -3.3954 3  470.6891824 -59516140451 547 1    50 446 1      C-13-H3C(O)CH3
  528460.4350  0.0037 -5.0681 3  470.6887824 -59516140451 447 2    50 446 2      C-13-H3C(O)CH3
  528460.4350  0.0038 -4.8675 3  470.6891824 -59516140451 447 1    50 446 1      C-13-H3C(O)CH3
  528460.8875  0.0039 -4.9968 3  426.0729348  595161404431330 4    421429 4      C-13-H3C(O)CH3
  528460.8875  0.0039 -3.8486 3  426.0729348  595161404431430 4    421429 4      C-13-H3C(O)CH3
  528460.8875  0.0039 -3.8486 3  426.0729348  595161404431330 4    421329 4      C-13-H3C(O)CH3
  528460.8875  0.0039 -4.9968 3  426.0729348  595161404431430 4    421329 4      C-13-H3C(O)CH3
  528460.9507  0.0039 -3.8889 3  426.0729348  595161404431330 3    421429 3      C-13-H3C(O)CH3
  528460.9507  0.0039 -3.8889 3  426.0729348  595161404431430 3    421329 3      C-13-H3C(O)CH3
  528460.9507  0.0039 -4.6453 3  426.0729348  595161404431330 3    421329 3      C-13-H3C(O)CH3
  528460.9507  0.0039 -4.6453 3  426.0729348  595161404431430 3    421429 3      C-13-H3C(O)CH3
  528465.7491  0.0043 -3.5980 3  426.1024696 -595161404431330 1    421429 1      C-13-H3C(O)CH3
  528465.7491  0.0043 -4.2906 3  426.1024696 -595161404431330 1    421329 1      C-13-H3C(O)CH3
  528465.7491  0.0043 -3.5980 3  426.1024696 -595161404431430 1    421329 1      C-13-H3C(O)CH3
  528465.7491  0.0043 -4.2906 3  426.1024696 -595161404431430 1    421429 1      C-13-H3C(O)CH3
  528468.4014  0.0043 -4.6922 3  426.1013696 -595161404431330 2    421329 2      C-13-H3C(O)CH3
  528468.4014  0.0043 -4.6922 3  426.1013696 -595161404431430 2    421429 2      C-13-H3C(O)CH3
  528468.4014  0.0043 -3.5479 3  426.1013696 -595161404431330 2    421429 2      C-13-H3C(O)CH3
  528468.4014  0.0043 -3.5479 3  426.1013696 -595161404431430 2    421329 2      C-13-H3C(O)CH3
  528471.9686  0.1260 -6.4797 3 1674.5253692  595161404862363 3    862264 3      C-13-H3C(O)CH3
  528471.9686  0.1260 -6.4797 3 1674.5253692  595161404862463 3    862364 3      C-13-H3C(O)CH3
  528473.0898  0.0033 -3.5541 3  426.1307696 -595161404431330 0    421329 0      C-13-H3C(O)CH3
  528473.0898  0.0033 -4.6142 3  426.1307696 -595161404431330 0    421429 0      C-13-H3C(O)CH3
  528473.0898  0.0033 -3.5307 3  426.1307696 -595161404431430 0    421429 0      C-13-H3C(O)CH3
  528473.0898  0.0033 -5.0542 3  426.1307696 -595161404431430 0    421329 0      C-13-H3C(O)CH3
  528481.8105  0.0039 -3.1672 3  223.1099440 -5951614042725 3 1    2624 3 1      C-13-H3C(O)CH3
  528490.1184  0.0316 -6.3500 3  515.3104696  595161404432914 0    432419 0      C-13-H3C(O)CH3
  528492.5421  0.0029 -4.8072 3  470.6944824  59516140451 547 0    50 546 0      C-13-H3C(O)CH3
  528492.5421  0.0029 -3.3976 3  470.6944824  59516140451 447 0    50 546 0      C-13-H3C(O)CH3
  528492.5596  0.0029 -4.8072 3  470.6944824 -59516140451 447 0    50 446 0      C-13-H3C(O)CH3
  528492.5596  0.0029 -3.3976 3  470.6944824 -59516140451 547 0    50 446 0      C-13-H3C(O)CH3
  528493.5311  0.1563 -6.2084 3 1674.5021D84  595161404862463 1    862264 1      C-13-H3C(O)CH3
  528493.5311  0.1563 -6.2084 3 1674.5021D84  595161404862363 1    862364 1      C-13-H3C(O)CH3
  528496.5241  0.0567 -5.6177 3  938.5742B28  59516140470 962 1    70 863 1      C-13-H3C(O)CH3
  528496.5241  0.0567 -5.6177 3  938.5742B28  59516140470 862 1    70 763 1      C-13-H3C(O)CH3
  528496.5241  0.0567 -5.1701 3  938.5742B28  59516140470 862 1    70 863 1      C-13-H3C(O)CH3
  528496.5241  0.0567 -5.1701 3  938.5742B28  59516140470 962 1    70 763 1      C-13-H3C(O)CH3
  528496.5664  0.0560 -5.6442 3  938.5740B28  59516140470 862 2    70 763 2      C-13-H3C(O)CH3
  528496.5664  0.0560 -5.1610 3  938.5740B28  59516140470 862 2    70 863 2      C-13-H3C(O)CH3
  528496.5664  0.0560 -5.1610 3  938.5740B28  59516140470 962 2    70 763 2      C-13-H3C(O)CH3
  528496.5664  0.0560 -5.6442 3  938.5740B28  59516140470 962 2    70 863 2      C-13-H3C(O)CH3
  528502.6630  0.1547 -6.1836 3 1674.5047D84  595161404862363 2    862364 2      C-13-H3C(O)CH3
  528502.6630  0.1547 -6.1836 3 1674.5047D84  595161404862463 2    862264 2      C-13-H3C(O)CH3
  528519.3400  0.0050 -3.4682 3  223.0429220  5951614042725 3 4    2624 3 4      C-13-H3C(O)CH3
  528524.2506  0.1587 -6.4194 3 1674.4815D84  595161404862363 0    862264 0      C-13-H3C(O)CH3
  528524.2506  0.1587 -6.4557 3 1674.4815D84  595161404862363 0    862364 0      C-13-H3C(O)CH3
  528524.2506  0.1587 -6.4194 3 1674.4815D84  595161404862463 0    862364 0      C-13-H3C(O)CH3
  528524.2506  0.1587 -6.4557 3 1674.4815D84  595161404862463 0    862264 0      C-13-H3C(O)CH3
  528549.4855  0.0430 -5.3395 3  938.5423564  59516140470 862 4    70 863 4      C-13-H3C(O)CH3
  528549.4855  0.0430 -5.3395 3  938.5423564  59516140470 962 4    70 763 4      C-13-H3C(O)CH3
  528549.6744  0.0430 -5.6176 3  938.5424564  59516140470 962 3    70 763 3      C-13-H3C(O)CH3
  528549.6744  0.0430 -5.6624 3  938.5424564  59516140470 862 3    70 763 3      C-13-H3C(O)CH3
  528549.6744  0.0430 -5.6624 3  938.5424564  59516140470 962 3    70 863 3      C-13-H3C(O)CH3
  528549.6744  0.0430 -5.6176 3  938.5424564  59516140470 862 3    70 863 3      C-13-H3C(O)CH3
  528639.9526  0.0546 -5.5922 3  614.2293380  595161404473116 3    463215 3      C-13-H3C(O)CH3
  528643.4120  0.1474 -5.7114 3  757.9725856  595161404533024 2    523121 2      C-13-H3C(O)CH3
  528664.0411  0.2156 -6.1424 3  916.3023936  595161404583325 1    573622 1      C-13-H3C(O)CH3
  528669.3832  0.2886 -6.1422 3  916.3030936  595161404583325 2    573622 2      C-13-H3C(O)CH3
  528720.2341  0.1263 -6.3124 3 1003.8093984  595161404613328 1    603625 1      C-13-H3C(O)CH3
  528760.0972  0.1016 -6.3120 3 1003.8098984  595161404613328 2    603625 2      C-13-H3C(O)CH3
  528774.6472  0.1307 -6.3136 3 1003.7992984  595161404613328 0    603625 0      C-13-H3C(O)CH3
  528786.4089  0.0310 -4.9441 3  614.2109760  595161404473116 0    463215 0      C-13-H3C(O)CH3
  528796.3710  0.0510 -6.0362 3  936.0506904  595161404564512 1    5546 9 1      C-13-H3C(O)CH3
  528803.9113  0.0076 -5.2762 3   81.0936172  59516140421 417 3    20 318 3      C-13-H3C(O)CH3
  528803.9113  0.0076 -5.2762 3   81.0936172  59516140421 517 3    20 218 3      C-13-H3C(O)CH3
  528804.2204  0.0093 -5.9759 3   81.0936172  59516140421 517 4    20 318 4      C-13-H3C(O)CH3
  528804.2204  0.0093 -5.9759 3   81.0936172  59516140421 417 4    20 218 4      C-13-H3C(O)CH3
  528804.2204  0.0093 -5.3726 3   81.0936172  59516140421 417 4    20 318 4      C-13-H3C(O)CH3
  528804.2204  0.0093 -5.3726 3   81.0936172  59516140421 517 4    20 218 4      C-13-H3C(O)CH3
  528861.8371  0.0419 -6.0358 3  936.0272904  595161404564512 0    554610 0      C-13-H3C(O)CH3
  528861.8371  0.0419 -6.0358 3  936.0272904  595161404564511 0    5546 9 0      C-13-H3C(O)CH3
  528924.5690  0.0296 -5.4969 3  232.3194236  5951614042921 9 4    2820 8 4      C-13-H3C(O)CH3
  528938.9045  0.0384 -6.3705 3  896.3672556  59516140469 762 4    69 663 4      C-13-H3C(O)CH3
  528938.9045  0.0384 -6.3705 3  896.3672556  59516140469 862 4    69 763 4      C-13-H3C(O)CH3
  528938.9045  0.0384 -5.3449 3  896.3672556  59516140469 862 4    69 663 4      C-13-H3C(O)CH3
  528938.9045  0.0384 -5.3449 3  896.3672556  59516140469 762 4    69 763 4      C-13-H3C(O)CH3
  528939.2565  0.0384 -5.3165 3  896.3672556  59516140469 762 3    69 663 3      C-13-H3C(O)CH3
  528939.2565  0.0384 -5.3165 3  896.3672556  59516140469 862 3    69 763 3      C-13-H3C(O)CH3
  528942.5120  0.0670 -6.3379 3  936.0629452  595161404564512 4    554610 4      C-13-H3C(O)CH3
  528947.0081  0.0622 -5.6782 3  896.3988B12  59516140469 862 1    69 763 1      C-13-H3C(O)CH3
  528947.0081  0.0622 -5.1083 3  896.3988B12  59516140469 862 1    69 663 1      C-13-H3C(O)CH3
  528947.0081  0.0622 -5.1083 3  896.3988B12  59516140469 762 1    69 763 1      C-13-H3C(O)CH3
  528947.0081  0.0622 -5.6782 3  896.3988B12  59516140469 762 1    69 663 1      C-13-H3C(O)CH3
  528947.6521  0.0619 -5.3271 3  896.3986B12  59516140469 762 2    69 763 2      C-13-H3C(O)CH3
  528947.6521  0.0619 -5.3271 3  896.3986B12  59516140469 862 2    69 663 2      C-13-H3C(O)CH3
  528947.6521  0.0619 -5.2856 3  896.3986B12  59516140469 762 2    69 663 2      C-13-H3C(O)CH3
  528947.6521  0.0619 -5.2856 3  896.3986B12  59516140469 862 2    69 763 2      C-13-H3C(O)CH3
  528955.3847  0.0323 -5.0427 3  896.4301B12  59516140469 862 0    69 763 0      C-13-H3C(O)CH3
  528955.3847  0.0323 -6.0837 3  896.4301B12  59516140469 862 0    69 663 0      C-13-H3C(O)CH3
  528955.3847  0.0323 -5.0050 3  896.4301B12  59516140469 762 0    69 663 0      C-13-H3C(O)CH3
  528997.3590  0.0524 -6.0362 3  936.0504904  595161404564511 1    554610 1      C-13-H3C(O)CH3
  529006.4205  0.0522 -6.0365 3  936.0397904  595161404564512 2    554610 2      C-13-H3C(O)CH3
  529014.8655  0.3248 -6.4349 3 1132.2801A32  595161404644025 0    643728 0      C-13-H3C(O)CH3
  529091.3781  0.3410 -6.4554 3 1138.3657A32  595161404644124 0    643827 0      C-13-H3C(O)CH3
  529106.2986  0.0646 -6.3374 3  936.0775452  595161404564511 3    5546 9 3      C-13-H3C(O)CH3
  529117.2377  0.0385 -6.4526 3  515.2896696  595161404432914 1    432419 1      C-13-H3C(O)CH3
  529136.6440  0.0096 -6.4972 3  305.3767284  595161404351520 4    351223 4      C-13-H3C(O)CH3
  529136.9541  0.0092 -6.4972 3  305.3767284  595161404351520 3    351223 3      C-13-H3C(O)CH3
  529136.9564  0.0096 -6.4972 3  305.3767284  595161404351620 4    351323 4      C-13-H3C(O)CH3
  529137.2680  0.0092 -6.4972 3  305.3767284  595161404351620 3    351323 3      C-13-H3C(O)CH3
  529143.5602  0.0670 -6.3379 3  936.0628452  595161404564512 3    554610 3      C-13-H3C(O)CH3
  529168.1765  0.1231 -6.4222 3 1623.0964684  595161404852363 4    852164 4      C-13-H3C(O)CH3
  529168.1765  0.1231 -6.4222 3 1623.0964684  595161404852263 4    852264 4      C-13-H3C(O)CH3
  529170.6671  0.0527 -6.0360 3  936.0542904  595161404564511 2    5546 9 2      C-13-H3C(O)CH3
  529175.6515  0.1649 -6.1989 3 1623.0729D68  595161404852363 1    852264 1      C-13-H3C(O)CH3
  529175.6515  0.1649 -6.1989 3 1623.0729D68  595161404852263 1    852164 1      C-13-H3C(O)CH3
  529182.0509  0.2736 -6.3887 3 1094.8135A16  595161404633925 0    633628 0      C-13-H3C(O)CH3
  529185.2433  0.1626 -6.1822 3 1623.0750D68  595161404852363 2    852164 2      C-13-H3C(O)CH3
  529185.2433  0.1626 -6.1822 3 1623.0750D68  595161404852263 2    852264 2      C-13-H3C(O)CH3
  529192.7950  0.1579 -6.0485 3 1623.0515D68  595161404852363 0    852164 0      C-13-H3C(O)CH3
  529192.7950  0.1579 -6.0485 3 1623.0515D68  595161404852263 0    852264 0      C-13-H3C(O)CH3
  529193.3422  0.0091 -6.1969 3  305.3990568  595161404351520 2    351223 2      C-13-H3C(O)CH3
  529193.6527  0.0091 -6.1969 3  305.3990568  595161404351620 2    351323 2      C-13-H3C(O)CH3
  529214.0774  0.1417 -6.0072 3  757.9510428  595161404533024 4    523121 4      C-13-H3C(O)CH3
  529226.1170  0.0091 -6.1954 3  305.4007568  595161404351520 1    351223 1      C-13-H3C(O)CH3
  529226.4125  0.0091 -6.1954 3  305.4007568  595161404351620 1    351323 1      C-13-H3C(O)CH3
  529233.0433  0.1441 -6.0070 3  757.9504428  595161404533024 3    523121 3      C-13-H3C(O)CH3
  529282.4635  0.0080 -6.1956 3  305.4230568  595161404351520 0    351223 0      C-13-H3C(O)CH3
  529282.7561  0.0080 -6.1956 3  305.4230568  595161404351620 0    351323 0      C-13-H3C(O)CH3
  529288.2193  0.0092 -6.3883 3   81.0412344  59516140421 517 2    20 318 2      C-13-H3C(O)CH3
  529288.2193  0.0092 -4.9906 3   81.0412344  59516140421 417 2    20 318 2      C-13-H3C(O)CH3
  529288.2193  0.0092 -4.9906 3   81.0412344  59516140421 517 2    20 218 2      C-13-H3C(O)CH3
  529288.2193  0.0092 -6.3883 3   81.0412344  59516140421 417 2    20 218 2      C-13-H3C(O)CH3
  529293.8316  0.0093 -4.9737 3   81.0417344  59516140421 417 1    20 318 1      C-13-H3C(O)CH3
  529293.8316  0.0093 -4.9743 3   81.0417344  59516140421 517 1    20 218 1      C-13-H3C(O)CH3
  529300.4890  0.0345 -5.2886 3  854.7783548  59516140468 762 4    68 563 4      C-13-H3C(O)CH3
  529300.4890  0.0345 -5.2886 3  854.7783548  59516140468 662 4    68 663 4      C-13-H3C(O)CH3
  529301.0017  0.0344 -5.5840 3  854.7783548  59516140468 762 3    68 563 3      C-13-H3C(O)CH3
  529301.0017  0.0344 -5.5840 3  854.7783548  59516140468 662 3    68 663 3      C-13-H3C(O)CH3
  529301.0017  0.0344 -5.5846 3  854.7783548  59516140468 662 3    68 563 3      C-13-H3C(O)CH3
  529301.0017  0.0344 -5.5846 3  854.7783548  59516140468 762 3    68 663 3      C-13-H3C(O)CH3
  529307.1872  0.0703 -6.3374 3  936.0773452  595161404564511 4    5546 9 4      C-13-H3C(O)CH3
  529347.5682  0.0440 -5.5682 3  614.2010760  595161404473116 1    463215 1      C-13-H3C(O)CH3
  529377.4287  0.2848 -6.4357 3 1132.2922A32  595161404644025 2    643728 2      C-13-H3C(O)CH3
  529390.7238  0.0637 -5.0171 3  854.8066A96  59516140468 762 1    68 563 1      C-13-H3C(O)CH3
  529390.7238  0.0637 -5.0171 3  854.8066A96  59516140468 662 1    68 663 1      C-13-H3C(O)CH3
  529390.7238  0.0637 -6.0935 3  854.8066A96  59516140468 762 1    68 663 1      C-13-H3C(O)CH3
  529390.7238  0.0637 -6.0935 3  854.8066A96  59516140468 662 1    68 563 1      C-13-H3C(O)CH3
  529392.0118  0.0636 -4.9896 3  854.8064A96  59516140468 662 2    68 663 2      C-13-H3C(O)CH3
  529392.0118  0.0636 -4.9896 3  854.8064A96  59516140468 762 2    68 563 2      C-13-H3C(O)CH3
  529406.9517  0.2414 -6.1369 3  916.2825936  595161404583325 0    573622 0      C-13-H3C(O)CH3
  529421.4499  0.0629 -6.0630 3  763.3781856  595161404533123 2    532826 2      C-13-H3C(O)CH3
  529426.4176  0.0039 -4.7981 3  435.1863356  595161404441332 4    431331 4      C-13-H3C(O)CH3
  529426.4176  0.0039 -4.7981 3  435.1863356  595161404441232 4    431231 4      C-13-H3C(O)CH3
  529426.4176  0.0039 -3.8483 3  435.1863356  595161404441232 4    431331 4      C-13-H3C(O)CH3
  529426.4176  0.0039 -3.8483 3  435.1863356  595161404441332 4    431231 4      C-13-H3C(O)CH3
  529426.4818  0.0039 -4.4715 3  435.1863356  595161404441332 3    431331 3      C-13-H3C(O)CH3
  529426.4818  0.0039 -3.9067 3  435.1863356  595161404441332 3    431231 3      C-13-H3C(O)CH3
  529426.4818  0.0039 -3.9067 3  435.1863356  595161404441232 3    431331 3      C-13-H3C(O)CH3
  529426.4818  0.0039 -4.4715 3  435.1863356  595161404441232 3    431231 3      C-13-H3C(O)CH3
  529430.7222  0.0515 -6.0634 3  763.3812856  595161404533123 0    532826 0      C-13-H3C(O)CH3
  529433.7958  0.0044 -4.3284 3  435.2158712  595161404441232 1    431231 1      C-13-H3C(O)CH3
  529433.7958  0.0044 -3.5711 3  435.2158712  595161404441332 1    431231 1      C-13-H3C(O)CH3
  529433.7958  0.0044 -4.3284 3  435.2158712  595161404441332 1    431331 1      C-13-H3C(O)CH3
  529433.7958  0.0044 -3.5711 3  435.2158712  595161404441232 1    431331 1      C-13-H3C(O)CH3
  529434.3788  0.0660 -6.3634 3  763.3757428  595161404533123 4    532826 4      C-13-H3C(O)CH3
  529435.8191  0.0044 -3.5065 3  435.2149712  595161404441332 2    431231 2      C-13-H3C(O)CH3
  529435.8191  0.0044 -5.4097 3  435.2149712  595161404441332 2    431331 2      C-13-H3C(O)CH3
  529435.8191  0.0044 -3.5065 3  435.2149712  595161404441232 2    431331 2      C-13-H3C(O)CH3
  529435.8191  0.0044 -5.4097 3  435.2149712  595161404441232 2    431231 2      C-13-H3C(O)CH3
  529439.6306  0.0651 -6.3634 3  763.3757428  595161404533123 3    532826 3      C-13-H3C(O)CH3
  529443.1095  0.0033 -5.3667 3  435.2444712 -595161404441232 0    431331 0      C-13-H3C(O)CH3
  529443.1095  0.0033 -3.5071 3  435.2444712 -595161404441332 0    431331 0      C-13-H3C(O)CH3
  529443.1095  0.0033 -3.5016 3  435.2444712 -595161404441232 0    431231 0      C-13-H3C(O)CH3
  529443.1095  0.0033 -6.4465 3  435.2444712 -595161404441332 0    431231 0      C-13-H3C(O)CH3
  529444.6019  0.0550 -6.0627 3  763.3788856  595161404533123 1    532826 1      C-13-H3C(O)CH3
  529452.0808  0.2148 -6.3892 3 1094.8253A16  595161404633925 2    633628 2      C-13-H3C(O)CH3
  529455.0325  0.0536 -5.7306 3  614.2087760  595161404473116 2    463215 2      C-13-H3C(O)CH3
  529481.6323  0.0332 -4.9968 3  854.8347A96  59516140468 662 0    68 663 0      C-13-H3C(O)CH3
  529481.6323  0.0332 -4.9968 3  854.8347A96  59516140468 762 0    68 563 0      C-13-H3C(O)CH3
  529481.6323  0.0332 -6.4570 3  854.8347A96  59516140468 762 0    68 663 0      C-13-H3C(O)CH3
  529481.6323  0.0332 -6.4570 3  854.8347A96  59516140468 662 0    68 563 0      C-13-H3C(O)CH3
  529498.3809  0.0179 -4.8166 3  232.3292472  5951614042921 9 1    2820 8 1      C-13-H3C(O)CH3
  529511.9965  0.2900 -6.4361 3 1132.2897A32  595161404644025 1    643728 1      C-13-H3C(O)CH3
  529524.7052  0.1391 -6.2550 3  855.3912888  595161404553817 0    553520 0      C-13-H3C(O)CH3
  529548.6405  0.2494 -6.3894 3 1094.8229A16  595161404633925 1    633628 1      C-13-H3C(O)CH3
  529551.8097  0.0028 -3.8569 3  474.8525420  59516140452 349 4    51 448 4      C-13-H3C(O)CH3
  529551.8097  0.0028 -4.1217 3  474.8525420  59516140452 449 4    51 448 4      C-13-H3C(O)CH3
  529551.8198  0.0028 -5.9871 3  474.8525420  59516140452 349 3    51 348 3      C-13-H3C(O)CH3
  529551.8198  0.0028 -3.6704 3  474.8525420  59516140452 449 3    51 348 3      C-13-H3C(O)CH3
  529551.8389  0.0028 -4.1217 3  474.8525420 -59516140452 349 4    51 348 4      C-13-H3C(O)CH3
  529551.8389  0.0028 -5.9871 3  474.8525420 -59516140452 449 3    51 448 3      C-13-H3C(O)CH3
  529551.8389  0.0028 -3.6704 3  474.8525420 -59516140452 349 3    51 448 3      C-13-H3C(O)CH3
  529551.8389  0.0028 -3.8569 3  474.8525420 -59516140452 449 4    51 348 4      C-13-H3C(O)CH3
  529583.0314  0.0039 -3.3902 3  474.8475840  59516140452 349 1    51 448 1      C-13-H3C(O)CH3
  529583.0314  0.0039 -4.6570 3  474.8475840  59516140452 449 1    51 448 1      C-13-H3C(O)CH3
  529583.0414  0.0039 -4.6570 3  474.8475840 -59516140452 349 1    51 348 1      C-13-H3C(O)CH3
  529583.0414  0.0039 -3.3902 3  474.8475840 -59516140452 449 1    51 348 1      C-13-H3C(O)CH3
  529583.0414  0.0038 -3.3715 3  474.8471840 -59516140452 349 2    51 448 2      C-13-H3C(O)CH3
  529583.0414  0.0038 -5.3812 3  474.8471840 -59516140452 449 2    51 448 2      C-13-H3C(O)CH3
  529583.1322  0.0038 -3.3715 3  474.8471840  59516140452 449 2    51 348 2      C-13-H3C(O)CH3
  529583.1322  0.0038 -5.3812 3  474.8471840  59516140452 349 2    51 348 2      C-13-H3C(O)CH3
  529587.3755  0.0040 -3.5651 3  226.7526228  5951614042823 5 4    2722 5 4      C-13-H3C(O)CH3
  529592.7130  0.1602 -6.2867 3  944.9569936  595161404583920 0    583623 0      C-13-H3C(O)CH3
  529602.4098  0.0085 -5.2585 3  107.1162328  5951614042016 4 0    1913 7 0      C-13-H3C(O)CH3
  529614.2058  0.0029 -3.3673 3  474.8422840 -59516140452 449 0    51 448 0      C-13-H3C(O)CH3
  529614.2058  0.0029 -3.3673 3  474.8422840 -59516140452 349 0    51 348 0      C-13-H3C(O)CH3
  529632.4716  0.0323 -5.2851 3  813.7771540  59516140467 662 4    67 563 4      C-13-H3C(O)CH3
  529632.4716  0.0323 -5.2851 3  813.7771540  59516140467 562 4    67 463 4      C-13-H3C(O)CH3
  529633.1000  0.0321 -6.2423 3  813.7770540  59516140467 662 3    67 563 3      C-13-H3C(O)CH3
  529633.1000  0.0321 -6.2423 3  813.7770540  59516140467 562 3    67 463 3      C-13-H3C(O)CH3
  529633.1000  0.0321 -5.3237 3  813.7770540  59516140467 662 3    67 463 3      C-13-H3C(O)CH3
  529633.1000  0.0321 -5.3237 3  813.7770540  59516140467 562 3    67 563 3      C-13-H3C(O)CH3
  529668.3427  0.3718 -6.4599 3 1138.3784A32  595161404644124 2    643827 2      C-13-H3C(O)CH3
  529729.4128  0.0033 -3.2637 3  226.7684456 -5951614042823 5 1    2722 5 1      C-13-H3C(O)CH3
  529744.1482  0.0036 -3.5649 3  226.7218228  5951614042823 6 3    2722 5 3      C-13-H3C(O)CH3
  529772.7979  0.0035 -3.2635 3  226.7822456 -5951614042823 5 2    2722 5 2      C-13-H3C(O)CH3
  529777.0344  0.0089 -6.1575 3   80.9895344  59516140421 517 0    20 318 0      C-13-H3C(O)CH3
  529777.0344  0.0089 -5.0017 3   80.9895344  59516140421 417 0    20 318 0      C-13-H3C(O)CH3
  529777.0344  0.0089 -6.1575 3   80.9895344  59516140421 417 0    20 218 0      C-13-H3C(O)CH3
  529777.0344  0.0089 -5.0017 3   80.9895344  59516140421 517 0    20 218 0      C-13-H3C(O)CH3
  529805.8901  0.0037 -3.5646 3  226.7205228  5951614042823 5 3    2722 6 3      C-13-H3C(O)CH3
  529808.2648  0.2966 -6.4616 3 1138.3766A32  595161404644124 1    643827 1      C-13-H3C(O)CH3
  529829.2298  0.0596 -4.9740 3  813.7983A80  59516140467 662 1    67 463 1      C-13-H3C(O)CH3
  529829.2298  0.0596 -4.9740 3  813.7983A80  59516140467 562 1    67 563 1      C-13-H3C(O)CH3
  529831.0108  0.0591 -5.1196 3  813.7980A80  59516140467 562 2    67 463 2      C-13-H3C(O)CH3
  529831.0108  0.0591 -5.1196 3  813.7980A80  59516140467 662 2    67 563 2      C-13-H3C(O)CH3
  529831.0108  0.0591 -5.5152 3  813.7980A80  59516140467 562 2    67 563 2      C-13-H3C(O)CH3
  529831.0108  0.0591 -5.5152 3  813.7980A80  59516140467 662 2    67 463 2      C-13-H3C(O)CH3
  529836.9651  0.0962 -6.1974 3  796.1022856  595161404533717 0    533420 0      C-13-H3C(O)CH3
  529837.1018  0.1737 -5.9600 3 1572.2145D52  595161404842163 1    842164 1      C-13-H3C(O)CH3
  529837.1018  0.1737 -6.3772 3 1572.2145D52  595161404842163 1    842064 1      C-13-H3C(O)CH3
  529837.1018  0.1737 -6.0662 3 1572.2145D52  595161404842263 1    842064 1      C-13-H3C(O)CH3
  529838.3606  0.1583 -6.1202 3 1572.1931D52  595161404842263 0    842164 0      C-13-H3C(O)CH3
  529838.3606  0.1583 -6.4642 3 1572.1931D52  595161404842163 0    842164 0      C-13-H3C(O)CH3
  529838.3606  0.1583 -6.1202 3 1572.1931D52  595161404842163 0    842064 0      C-13-H3C(O)CH3
  529838.3606  0.1583 -6.4642 3 1572.1931D52  595161404842263 0    842064 0      C-13-H3C(O)CH3
  529845.4952  0.1206 -6.3665 3 1572.2376676  595161404842263 3    842164 3      C-13-H3C(O)CH3
  529845.4952  0.1206 -6.3665 3 1572.2376676  595161404842163 3    842064 3      C-13-H3C(O)CH3
  529845.5576  0.1206 -6.3572 3 1572.2377676  595161404842263 4    842164 4      C-13-H3C(O)CH3
  529845.5576  0.1206 -6.3572 3 1572.2377676  595161404842163 4    842064 4      C-13-H3C(O)CH3
  529846.6962  0.1711 -5.9598 3 1572.2162D52  595161404842163 2    842164 2      C-13-H3C(O)CH3
  529846.6962  0.1711 -5.9629 3 1572.2162D52  595161404842163 2    842064 2      C-13-H3C(O)CH3
  529914.3568  0.0028 -3.2632 3  226.7978456 -5951614042823 5 0    2722 6 0      C-13-H3C(O)CH3
  529914.3568  0.0028 -3.2632 3  226.7978456 -5951614042823 6 0    2722 5 0      C-13-H3C(O)CH3
  529928.6124  0.0030 -3.2634 3  226.7513456 -5951614042823 6 2    2722 6 2      C-13-H3C(O)CH3
  529932.9848  0.0344 -5.2842 3  773.3648532  59516140466 562 4    66 363 4      C-13-H3C(O)CH3
  529932.9848  0.0344 -5.2842 3  773.3648532  59516140466 462 4    66 463 4      C-13-H3C(O)CH3
  529933.6133  0.0340 -5.3083 3  773.3648532  59516140466 462 3    66 463 3      C-13-H3C(O)CH3
  529933.6133  0.0340 -5.3083 3  773.3648532  59516140466 562 3    66 363 3      C-13-H3C(O)CH3
  529937.9462  0.0254 -4.4663 3  232.3008236  5951614042921 9 3    2820 8 3      C-13-H3C(O)CH3
  529942.2027  0.0214 -4.3745 3  232.3304472  5951614042921 9 2    2820 8 2      C-13-H3C(O)CH3
  529946.8523  0.0029 -3.2632 3  226.7363456 -5951614042823 6 1    2722 6 1      C-13-H3C(O)CH3
  529962.1074  0.0034 -3.5644 3  226.6897228  5951614042823 6 4    2722 6 4      C-13-H3C(O)CH3
  529982.9027  0.0940 -6.4044 3  796.1160856  595161404533717 1    533420 1      C-13-H3C(O)CH3
  529986.5367  0.0141 -5.7632 3  107.1208328  5951614042016 4 1    1913 7 1      C-13-H3C(O)CH3
  530006.1369  0.0382 -5.9889 3  618.6802776  595161404482622 2    482325 2      C-13-H3C(O)CH3
  530026.9111  0.0325 -5.2330 3  813.8192A80  59516140467 562 0    67 463 0      C-13-H3C(O)CH3
  530026.9111  0.0325 -5.3182 3  813.8192A80  59516140467 662 0    67 463 0      C-13-H3C(O)CH3
  530026.9111  0.0325 -5.2330 3  813.8192A80  59516140467 662 0    67 563 0      C-13-H3C(O)CH3
  530026.9111  0.0325 -5.3182 3  813.8192A80  59516140467 562 0    67 563 0      C-13-H3C(O)CH3
  530033.3093  0.0398 -6.2891 3  618.6664388  595161404482622 3    482325 3      C-13-H3C(O)CH3
  530033.5180  0.0228 -5.9892 3  618.6957776  595161404482622 0    482325 0      C-13-H3C(O)CH3
  530034.5620  0.0402 -6.2891 3  618.6664388  595161404482622 4    482325 4      C-13-H3C(O)CH3
  530041.9725  0.1573 -6.4837 3  944.9733936  595161404583920 1    583623 1      C-13-H3C(O)CH3
  530061.6159  0.0238 -5.9884 3  618.6819776  595161404482622 1    482325 1      C-13-H3C(O)CH3
  530069.1422  0.2114 -6.4079 3 1033.3932A00  595161404623429 0    613526 0      C-13-H3C(O)CH3
  530069.5117  0.0136 -5.7227 3  107.1237328  5951614042016 4 2    1913 7 2      C-13-H3C(O)CH3
  530104.9651  0.1773 -6.4969 3  944.9734936  595161404583920 2    583623 2      C-13-H3C(O)CH3
  530129.1268  0.0363 -5.2222 3  708.0402808  595161404503516 2    493614 2      C-13-H3C(O)CH3
  530148.8299  0.0389 -5.5232 3  708.0455404  595161404503516 4    493614 4      C-13-H3C(O)CH3
  530175.7991  0.1027 -6.3884 3  796.1179856  595161404533717 2    533420 2      C-13-H3C(O)CH3
  530200.0957  0.0432 -5.3458 3  733.5429524  59516140465 362 4    65 263 4      C-13-H3C(O)CH3
  530200.0957  0.0432 -5.3458 3  733.5429524  59516140465 462 4    65 363 4      C-13-H3C(O)CH3
  530200.4982  0.0425 -5.3380 3  733.5428524  59516140465 362 3    65 263 3      C-13-H3C(O)CH3
  530200.4982  0.0425 -5.3380 3  733.5428524  59516140465 462 3    65 363 3      C-13-H3C(O)CH3
  530212.5091  0.0084 -3.8825 3  243.3163244  595161404302011 4    291910 4      C-13-H3C(O)CH3
  530231.1727  0.0095 -3.7537 3  274.2503520  595161404322013 1    311912 1      C-13-H3C(O)CH3
  530241.2943  0.0040 -3.7140 3  232.3194236  5951614042921 8 4    2820 8 4      C-13-H3C(O)CH3
  530246.2171  0.0186 -4.2611 3  366.5610300  595161404372116 3    362215 3      C-13-H3C(O)CH3
  530250.2898  0.0159 -3.9605 3  366.5818600  595161404372116 2    362215 2      C-13-H3C(O)CH3
  530257.5262  0.0163 -4.2611 3  366.5609300  595161404372116 4    362215 4      C-13-H3C(O)CH3
  530260.2309  0.0362 -5.2223 3  708.0205808  595161404503516 0    493613 0      C-13-H3C(O)CH3
  530260.2818  0.0119 -4.0544 3  274.2269260  595161404322013 3    311912 3      C-13-H3C(O)CH3
  530261.7187  0.0068 -3.8727 3  243.3157244  595161404302011 3    291910 3      C-13-H3C(O)CH3
  530264.1723  0.0518 -6.3633 3  773.3742A64  59516140466 562 1    66 463 1      C-13-H3C(O)CH3
  530264.1723  0.0518 -5.0009 3  773.3742A64  59516140466 462 1    66 463 1      C-13-H3C(O)CH3
  530264.1723  0.0518 -5.0009 3  773.3742A64  59516140466 562 1    66 363 1      C-13-H3C(O)CH3
  530264.1723  0.0518 -6.3633 3  773.3742A64  59516140466 462 1    66 363 1      C-13-H3C(O)CH3
  530266.0411  0.0496 -5.6794 3  773.3738A64  59516140466 462 2    66 363 2      C-13-H3C(O)CH3
  530266.0411  0.0496 -5.6794 3  773.3738A64  59516140466 562 2    66 463 2      C-13-H3C(O)CH3
  530266.0411  0.0496 -5.0798 3  773.3738A64  59516140466 562 2    66 363 2      C-13-H3C(O)CH3
  530266.0411  0.0496 -5.0798 3  773.3738A64  59516140466 462 2    66 463 2      C-13-H3C(O)CH3
  530273.9481  0.0247 -5.7343 3  554.4292728  595161404452818 2    442916 2      C-13-H3C(O)CH3
  530275.5297  0.0116 -4.0541 3  274.2264260  595161404322013 4    311912 4      C-13-H3C(O)CH3
  530278.1254  0.0362 -5.2223 3  708.0205808  595161404503515 0    493614 0      C-13-H3C(O)CH3
  530279.3693  0.0351 -5.5239 3  708.0697404  595161404503516 3    493613 3      C-13-H3C(O)CH3
  530287.6232  0.0379 -5.2224 3  708.0258808  595161404503516 1    493614 1      C-13-H3C(O)CH3
  530290.5488  0.0055 -3.5757 3  243.3336488  595161404302011 1    291910 1      C-13-H3C(O)CH3
  530313.3628  0.0700 -6.3719 3  614.1979380  595161404473116 4    463215 4      C-13-H3C(O)CH3
  530341.0323  0.0042 -3.7903 3  232.3008236  5951614042921 8 3    2820 8 3      C-13-H3C(O)CH3
  530351.3886  0.0032 -3.4229 3  232.3292472  5951614042921 8 1    2820 8 1      C-13-H3C(O)CH3
  530362.9639  0.0029 -3.4052 3  232.3434472  5951614042921 9 0    2820 8 0      C-13-H3C(O)CH3
  530366.0106  0.1604 -6.4771 3  855.4074888  595161404553817 1    553520 1      C-13-H3C(O)CH3
  530372.2137  0.0166 -6.0509 3  554.4273728  595161404452818 1    442916 1      C-13-H3C(O)CH3
  530414.9012  0.0036 -3.4545 3  232.3304472  5951614042921 8 2    2820 8 2      C-13-H3C(O)CH3
  530420.6928  0.0360 -5.2224 3  708.0500808  595161404503515 1    493613 1      C-13-H3C(O)CH3
  530431.6344  0.0593 -5.4208 3  694.3127516  59516140464 362 3    64 163 3      C-13-H3C(O)CH3
  530431.6344  0.0593 -5.4208 3  694.3127516  59516140464 262 3    64 263 3      C-13-H3C(O)CH3
  530431.8498  0.0599 -5.4148 3  694.3128516  59516140464 262 4    64 263 4      C-13-H3C(O)CH3
  530431.8498  0.0599 -5.4148 3  694.3128516  59516140464 362 4    64 163 4      C-13-H3C(O)CH3
  530433.0023  0.0038 -3.7868 3  443.7413364 -595161404451234 3    441233 3      C-13-H3C(O)CH3
  530433.0023  0.0038 -4.6409 3  443.7413364 -595161404451134 4    441233 4      C-13-H3C(O)CH3
  530433.0023  0.0038 -3.8522 3  443.7413364 -595161404451134 4    441133 4      C-13-H3C(O)CH3
  530433.0023  0.0038 -3.8522 3  443.7413364 -595161404451234 4    441233 4      C-13-H3C(O)CH3
  530433.0023  0.0038 -4.6409 3  443.7413364 -595161404451234 4    441133 4      C-13-H3C(O)CH3
  530433.0023  0.0038 -3.7868 3  443.7413364 -595161404451134 3    441133 3      C-13-H3C(O)CH3
  530439.2625  0.0043 -3.7898 3  232.2841236  5951614042921 9 3    2820 9 3      C-13-H3C(O)CH3
  530440.1284  0.0275 -5.7460 3  554.4124364  595161404452818 4    442916 4      C-13-H3C(O)CH3
  530443.3313  0.0044 -3.6129 3  443.7706728 -595161404451234 1    441133 1      C-13-H3C(O)CH3
  530443.3313  0.0044 -4.0814 3  443.7706728 -595161404451134 1    441133 1      C-13-H3C(O)CH3
  530443.3313  0.0044 -3.6129 3  443.7706728 -595161404451134 1    441233 1      C-13-H3C(O)CH3
  530443.3313  0.0044 -4.0814 3  443.7706728 -595161404451234 1    441233 1      C-13-H3C(O)CH3
  530444.9822  0.0044 -5.0761 3  443.7698728 -595161404451134 2    441233 2      C-13-H3C(O)CH3
  530444.9822  0.0044 -3.4971 3  443.7698728 -595161404451134 2    441133 2      C-13-H3C(O)CH3
  530444.9822  0.0044 -5.0761 3  443.7698728 -595161404451234 2    441133 2      C-13-H3C(O)CH3
  530444.9822  0.0044 -3.4971 3  443.7698728 -595161404451234 2    441233 2      C-13-H3C(O)CH3
  530455.1625  0.0033 -3.4981 3  443.7991728 -595161404451234 0    441233 0      C-13-H3C(O)CH3
  530455.1625  0.0033 -3.4981 3  443.7991728 -595161404451134 0    441133 0      C-13-H3C(O)CH3
  530455.1625  0.0033 -5.0419 3  443.7991728 -595161404451134 0    441233 0      C-13-H3C(O)CH3
  530455.1625  0.0033 -5.0419 3  443.7991728 -595161404451234 0    441133 0      C-13-H3C(O)CH3
  530461.8433  0.1580 -6.0112 3 1521.9074D36  595161404832063 0    831964 0      C-13-H3C(O)CH3
  530461.8433  0.1580 -6.4341 3 1521.9074D36  595161404832163 0    831964 0      C-13-H3C(O)CH3
  530461.8433  0.1580 -6.4341 3 1521.9074D36  595161404832063 0    832064 0      C-13-H3C(O)CH3
  530461.8433  0.1580 -6.0112 3 1521.9074D36  595161404832163 0    832064 0      C-13-H3C(O)CH3
  530467.0504  0.0323 -5.2222 3  708.0636808  595161404503515 2    493613 2      C-13-H3C(O)CH3
  530478.4905  0.1801 -5.9133 3 1521.9280D36  595161404832163 1    832064 1      C-13-H3C(O)CH3
  530478.4905  0.1801 -5.9133 3 1521.9280D36  595161404832063 1    831964 1      C-13-H3C(O)CH3
  530485.3548  0.0296 -5.5239 3  708.0689404  595161404503515 3    493614 3      C-13-H3C(O)CH3
  530487.6714  0.1776 -6.0914 3 1521.9293D36  595161404832163 2    831964 2      C-13-H3C(O)CH3
  530487.6714  0.1776 -6.0914 3 1521.9293D36  595161404832063 2    832064 2      C-13-H3C(O)CH3
  530487.6714  0.1776 -6.2738 3 1521.9293D36  595161404832163 2    832064 2      C-13-H3C(O)CH3
  530487.6714  0.1776 -6.2738 3 1521.9293D36  595161404832063 2    831964 2      C-13-H3C(O)CH3
  530499.5849  0.0132 -3.9585 3  366.5864600  595161404372116 1    362215 1      C-13-H3C(O)CH3
  530502.7287  0.0119 -3.9589 3  366.6072600  595161404372116 0    362215 0      C-13-H3C(O)CH3
  530504.3940  0.1178 -6.2772 3 1521.9499668  595161404832163 3    832064 3      C-13-H3C(O)CH3
  530504.3940  0.1178 -6.1916 3 1521.9499668  595161404832163 3    831964 3      C-13-H3C(O)CH3
  530504.4846  0.1178 -6.4009 3 1521.9499668  595161404832163 4    831964 4      C-13-H3C(O)CH3
  530504.4846  0.1178 -6.4009 3 1521.9499668  595161404832063 4    832064 4      C-13-H3C(O)CH3
  530505.5446  0.0045 -3.5655 3  243.3297488  595161404302011 2    291910 2      C-13-H3C(O)CH3
  530515.5163  0.2843 -6.4047 3 1033.3909A00  595161404623429 2    613526 2      C-13-H3C(O)CH3
  530536.1529  0.0031 -3.4228 3  232.2946472  5951614042921 9 1    2820 9 1      C-13-H3C(O)CH3
  530540.3650  0.0036 -3.7141 3  232.2655236  5951614042921 9 4    2820 9 4      C-13-H3C(O)CH3
  530542.9553  0.0086 -3.7526 3  274.2589520  595161404322013 0    311912 0      C-13-H3C(O)CH3
  530555.0203  0.0040 -3.5648 3  243.3472488  595161404302011 0    291910 0      C-13-H3C(O)CH3
  530566.7155  0.1967 -6.4045 3 1033.3872A00  595161404623429 1    613526 1      C-13-H3C(O)CH3
  530581.0724  0.0035 -3.4547 3  232.3091472  5951614042921 9 2    2820 9 2      C-13-H3C(O)CH3
  530585.4018  0.0094 -3.7521 3  274.2351520  595161404322013 2    311912 2      C-13-H3C(O)CH3
  530596.1624  0.0319 -4.9878 3  773.3833A64  59516140466 462 0    66 363 0      C-13-H3C(O)CH3
  530596.1624  0.0319 -4.9878 3  773.3833A64  59516140466 562 0    66 463 0      C-13-H3C(O)CH3
  530618.2166  0.0343 -5.5232 3  708.0930404  595161404503515 4    493613 4      C-13-H3C(O)CH3
  530624.8603  0.0850 -5.8975 3  655.6759508  59516140463 162 3    63 163 3      C-13-H3C(O)CH3
  530624.8603  0.0850 -5.9725 3  655.6759508  59516140463 162 3    63 063 3      C-13-H3C(O)CH3
  530624.8603  0.0850 -5.9725 3  655.6759508  59516140463 262 3    63 163 3      C-13-H3C(O)CH3
  530624.8603  0.0850 -5.8975 3  655.6759508  59516140463 262 3    63 063 3      C-13-H3C(O)CH3
  530626.3247  0.0854 -5.7909 3  655.6759508  59516140463 262 4    63 063 4      C-13-H3C(O)CH3
  530626.3247  0.0854 -6.1467 3  655.6759508  59516140463 162 4    63 063 4      C-13-H3C(O)CH3
  530626.3247  0.0854 -5.7909 3  655.6759508  59516140463 162 4    63 163 4      C-13-H3C(O)CH3
  530626.3247  0.0854 -6.1467 3  655.6759508  59516140463 262 4    63 163 4      C-13-H3C(O)CH3
  530635.6377  0.1959 -6.4694 3  855.4092888  595161404553817 2    553520 2      C-13-H3C(O)CH3
  530684.6149  0.0030 -3.7284 3  478.4862428  59516140453 351 3    52 350 3      C-13-H3C(O)CH3
  530684.6149  0.0030 -4.4592 3  478.4862428  59516140453 251 3    52 350 3      C-13-H3C(O)CH3
  530684.6230  0.0030 -4.5432 3  478.4863428  59516140453 251 4    52 350 4      C-13-H3C(O)CH3
  530684.6230  0.0030 -3.7145 3  478.4863428  59516140453 351 4    52 350 4      C-13-H3C(O)CH3
  530684.6434  0.0030 -4.4592 3  478.4862428 -59516140453 351 3    52 250 3      C-13-H3C(O)CH3
  530684.6434  0.0030 -3.7284 3  478.4862428 -59516140453 251 3    52 250 3      C-13-H3C(O)CH3
  530684.6434  0.0030 -4.5432 3  478.4863428 -59516140453 351 4    52 250 4      C-13-H3C(O)CH3
  530684.6434  0.0030 -3.7145 3  478.4863428 -59516140453 251 4    52 250 4      C-13-H3C(O)CH3
  530697.2796  0.0526 -5.1095 3  733.5348A48  59516140465 462 1    65 263 1      C-13-H3C(O)CH3
  530697.2796  0.0526 -5.7563 3  733.5348A48  59516140465 462 1    65 363 1      C-13-H3C(O)CH3
  530697.2796  0.0526 -5.7563 3  733.5348A48  59516140465 362 1    65 263 1      C-13-H3C(O)CH3
  530697.2796  0.0526 -5.1095 3  733.5348A48  59516140465 362 1    65 363 1      C-13-H3C(O)CH3
  530698.5118  0.0478 -5.4451 3  733.5344A48  59516140465 362 2    65 363 2      C-13-H3C(O)CH3
  530698.5118  0.0478 -5.2264 3  733.5344A48  59516140465 462 2    65 363 2      C-13-H3C(O)CH3
  530698.5118  0.0478 -5.2264 3  733.5344A48  59516140465 362 2    65 263 2      C-13-H3C(O)CH3
  530698.5118  0.0478 -5.4451 3  733.5344A48  59516140465 462 2    65 263 2      C-13-H3C(O)CH3
  530700.0034  0.0212 -6.2502 3  107.1203164  5951614042016 4 4    1913 7 4      C-13-H3C(O)CH3
  530711.8066  0.0041 -4.6241 3  478.4668856 -59516140453 351 1    52 350 1      C-13-H3C(O)CH3
  530711.8066  0.0039 -3.3663 3  478.4664856 -59516140453 351 2    52 250 2      C-13-H3C(O)CH3
  530711.8066  0.0039 -4.8852 3  478.4664856 -59516140453 251 2    52 250 2      C-13-H3C(O)CH3
  530711.8066  0.0041 -3.3772 3  478.4668856 -59516140453 251 1    52 350 1      C-13-H3C(O)CH3
  530711.8230  0.0041 -4.6241 3  478.4668856  59516140453 251 1    52 250 1      C-13-H3C(O)CH3
  530711.8230  0.0041 -3.3772 3  478.4668856  59516140453 351 1    52 250 1      C-13-H3C(O)CH3
  530711.8434  0.0039 -4.8852 3  478.4664856  59516140453 351 2    52 350 2      C-13-H3C(O)CH3
  530711.8434  0.0039 -3.3663 3  478.4664856  59516140453 251 2    52 350 2      C-13-H3C(O)CH3
  530713.0941  0.1885 -6.4698 3  854.3056452  595161404563224 3    562927 3      C-13-H3C(O)CH3
  530717.2085  0.1886 -6.4698 3  854.3056452  595161404563224 4    562927 4      C-13-H3C(O)CH3
  530738.4487  0.0029 -3.4047 3  232.3346472  5951614042921 8 0    2820 9 0      C-13-H3C(O)CH3
  530738.8477  0.0031 -3.5503 3  478.4469856 -59516140453 351 0    52 350 0      C-13-H3C(O)CH3
  530738.8477  0.0031 -3.5503 3  478.4469856 -59516140453 251 0    52 250 0      C-13-H3C(O)CH3
  530738.8477  0.0031 -3.7912 3  478.4469856 -59516140453 351 0    52 250 0      C-13-H3C(O)CH3
  530738.8477  0.0031 -3.7912 3  478.4469856 -59516140453 251 0    52 350 0      C-13-H3C(O)CH3
  530812.7322  0.0124 -6.4726 3   82.6732296  5951614041814 5 1    17 9 8 1      C-13-H3C(O)CH3
  530842.3486  0.0250 -4.4652 3  232.2841236  5951614042921 8 3    2820 9 3      C-13-H3C(O)CH3
  531053.7710  0.0209 -4.3729 3  232.3091472  5951614042921 8 2    2820 9 2      C-13-H3C(O)CH3
  531064.2847  0.1557 -6.4209 3 1472.1954D20  595161404821963 0    821864 0      C-13-H3C(O)CH3
  531064.2847  0.1557 -5.9037 3 1472.1954D20  595161404821963 0    821964 0      C-13-H3C(O)CH3
  531064.2847  0.1557 -6.4209 3 1472.1954D20  595161404822063 0    821964 0      C-13-H3C(O)CH3
  531064.2847  0.1557 -5.9037 3 1472.1954D20  595161404822063 0    821864 0      C-13-H3C(O)CH3
  531079.7501  0.1929 -6.1692 3  854.3024904  595161404563224 2    562927 2      C-13-H3C(O)CH3
  531100.4411  0.1825 -5.8004 3 1472.2144D20  595161404821963 1    821964 1      C-13-H3C(O)CH3
  531100.4411  0.1825 -5.8004 3 1472.2144D20  595161404822063 1    821864 1      C-13-H3C(O)CH3
  531108.8509  0.1804 -5.7921 3 1472.2152D20  595161404821963 2    821864 2      C-13-H3C(O)CH3
  531108.8509  0.1804 -5.7921 3 1472.2152D20  595161404822063 2    821964 2      C-13-H3C(O)CH3
  531111.1482  0.1234 -6.1690 3  854.3022904  595161404563224 1    562927 1      C-13-H3C(O)CH3
  531124.2901  0.0335 -5.4461 3  777.2661840  595161404523815 0    513912 0      C-13-H3C(O)CH3
  531124.5538  0.0335 -5.4461 3  777.2661840  595161404523814 0    513913 0      C-13-H3C(O)CH3
  531128.7766  0.0061 -4.4578 3  162.7336204  595161404251610 4    241311 4      C-13-H3C(O)CH3
  531129.5279  0.0386 -5.8532 3  892.5076888  595161404554313 0    544410 0      C-13-H3C(O)CH3
  531129.5280  0.0386 -5.8532 3  892.5076888  595161404554312 0    544411 0      C-13-H3C(O)CH3
  531129.8382  0.0769 -5.1140 3  694.2802A32  59516140464 262 2    64 263 2      C-13-H3C(O)CH3
  531129.8382  0.0769 -5.1140 3  694.2802A32  59516140464 362 2    64 163 2      C-13-H3C(O)CH3
  531130.3537  0.0821 -5.4969 3  694.2806A32  59516140464 362 1    64 263 1      C-13-H3C(O)CH3
  531130.3537  0.0821 -5.3432 3  694.2806A32  59516140464 362 1    64 163 1      C-13-H3C(O)CH3
  531130.3537  0.0821 -5.3432 3  694.2806A32  59516140464 262 1    64 263 1      C-13-H3C(O)CH3
  531130.3537  0.0821 -5.4969 3  694.2806A32  59516140464 262 1    64 163 1      C-13-H3C(O)CH3
  531145.1005  0.1143 -6.1416 3 1472.2342660  595161404821963 3    821864 3      C-13-H3C(O)CH3
  531145.1005  0.1143 -6.1416 3 1472.2342660  595161404822063 3    821964 3      C-13-H3C(O)CH3
  531145.2202  0.1143 -6.1413 3 1472.2342660  595161404821963 4    821864 4      C-13-H3C(O)CH3
  531145.2202  0.1143 -6.1413 3 1472.2342660  595161404822063 4    821964 4      C-13-H3C(O)CH3
  531156.6903  0.0463 -5.8535 3  892.5326888  595161404554313 1    544410 1      C-13-H3C(O)CH3
  531162.9812  0.0215 -5.9877 3  618.6957776  595161404482722 0    482425 0      C-13-H3C(O)CH3
  531175.7637  0.0353 -5.4459 3  777.2961840  595161404523815 2    513913 2      C-13-H3C(O)CH3
  531187.7057  0.0326 -5.9874 3  618.6803776  595161404482722 2    482425 2      C-13-H3C(O)CH3
  531194.5087  0.0392 -5.0330 3  733.5264A48  59516140465 362 0    65 263 0      C-13-H3C(O)CH3
  531194.5087  0.0392 -5.0330 3  733.5264A48  59516140465 462 0    65 363 0      C-13-H3C(O)CH3
  531197.2993  0.0073 -4.4570 3  162.7331204  595161404251610 3    241311 3      C-13-H3C(O)CH3
  531226.7223  0.0237 -5.9869 3  618.6819776  595161404482722 1    482425 1      C-13-H3C(O)CH3
  531248.1825  0.0351 -5.4461 3  777.2806840  595161404523815 1    513913 1      C-13-H3C(O)CH3
  531251.6676  0.0346 -6.2876 3  618.6664388  595161404482722 4    482425 4      C-13-H3C(O)CH3
  531252.4843  0.0343 -6.2876 3  618.6665388  595161404482722 3    482425 3      C-13-H3C(O)CH3
  531286.1666  0.0351 -5.4462 3  777.2961840  595161404523814 1    513912 1      C-13-H3C(O)CH3
  531292.4945  0.0475 -4.8025 3  457.6728332  595161404412516 3    402615 3      C-13-H3C(O)CH3
  531299.5287  0.0388 -5.7469 3  777.3105420  595161404523815 4    513913 4      C-13-H3C(O)CH3
  531306.1208  0.0446 -5.8534 3  892.5296888  595161404554312 1    544411 1      C-13-H3C(O)CH3
  531316.2218  0.0124 -6.4778 3   82.6675296  5951614041814 5 2    17 9 8 2      C-13-H3C(O)CH3
  531326.8372  0.3053 -6.2721 3  950.4590952  595161404593425 1    583722 1      C-13-H3C(O)CH3
  531336.7432  0.0403 -5.7470 3  777.3261420  595161404523814 3    513912 3      C-13-H3C(O)CH3
  531348.0568  0.0070 -4.1566 3  162.7355408  595161404251610 1    241311 1      C-13-H3C(O)CH3
  531361.7244  0.4227 -6.2722 3  950.4596952  595161404593425 2    583722 2      C-13-H3C(O)CH3
  531368.0141  0.0447 -5.8536 3  892.5269888  595161404554313 2    544411 2      C-13-H3C(O)CH3
  531389.1605  0.0170 -4.8141 3  232.2946472  5951614042921 8 1    2820 9 1      C-13-H3C(O)CH3
  531397.0575  0.0593 -6.1550 3  892.5517444  595161404554313 4    544411 4      C-13-H3C(O)CH3
  531406.2189  0.0463 -5.8531 3  892.5388888  595161404554312 2    544410 2      C-13-H3C(O)CH3
  531416.6993  0.0353 -5.4461 3  777.3035840  595161404523814 2    513912 2      C-13-H3C(O)CH3
  531427.8443  0.0423 -4.8141 3  457.6685332  595161404412516 4    402615 4      C-13-H3C(O)CH3
  531434.0946  0.0588 -6.1545 3  892.5638444  595161404554312 3    544410 3      C-13-H3C(O)CH3
  531463.0002  0.0420 -4.5057 3  457.6877664  595161404412516 2    402615 2      C-13-H3C(O)CH3
  531468.8179  0.0037 -3.7727 3  451.7431372 -595161404461036 4    451035 4      C-13-H3C(O)CH3
  531468.8179  0.0036 -4.5991 3  451.7431372 -595161404461036 3    451035 3      C-13-H3C(O)CH3
  531468.8179  0.0036 -4.5991 3  451.7431372 -595161404461136 3    451135 3      C-13-H3C(O)CH3
  531468.8179  0.0036 -3.8425 3  451.7431372 -595161404461036 3    451135 3      C-13-H3C(O)CH3
  531468.8179  0.0037 -3.7727 3  451.7431372 -595161404461136 4    451135 4      C-13-H3C(O)CH3
  531468.8179  0.0036 -3.8425 3  451.7431372 -595161404461136 3    451035 3      C-13-H3C(O)CH3
  531471.2534  0.1275 -6.1695 3  854.2990904  595161404563224 0    562927 0      C-13-H3C(O)CH3
  531482.5235  0.0045 -3.6254 3  451.7719744 -595161404461136 1    451035 1      C-13-H3C(O)CH3
  531482.5235  0.0045 -3.9966 3  451.7719744 -595161404461136 1    451135 1      C-13-H3C(O)CH3
  531482.5235  0.0045 -3.6254 3  451.7719744 -595161404461036 1    451135 1      C-13-H3C(O)CH3
  531482.5235  0.0045 -3.9966 3  451.7719744 -595161404461036 1    451035 1      C-13-H3C(O)CH3
  531483.7944  0.0045 -3.5472 3  451.7712744 -595161404461136 2    451135 2      C-13-H3C(O)CH3
  531483.7944  0.0045 -4.2673 3  451.7712744 -595161404461136 2    451035 2      C-13-H3C(O)CH3
  531483.7944  0.0045 -4.2673 3  451.7712744 -595161404461036 2    451135 2      C-13-H3C(O)CH3
  531483.7944  0.0045 -3.5472 3  451.7712744 -595161404461036 2    451035 2      C-13-H3C(O)CH3
  531497.2446  0.0033 -3.4836 3  451.7999744 -595161404461036 0    451135 0      C-13-H3C(O)CH3
  531497.2446  0.0033 -3.4836 3  451.7999744 -595161404461136 0    451035 0      C-13-H3C(O)CH3
  531497.2957  0.0033 -5.0327 3  451.7999744  595161404461136 0    451135 0      C-13-H3C(O)CH3
  531497.2957  0.0033 -5.0327 3  451.7999744  595161404461036 0    451035 0      C-13-H3C(O)CH3
  531540.0713  0.0393 -5.7471 3  777.3180420  595161404523815 3    513913 3      C-13-H3C(O)CH3
  531542.2743  0.0152 -6.3752 3   91.8313148  5951614041817 2 3    1714 3 3      C-13-H3C(O)CH3
  531545.8227  0.0576 -6.1549 3  892.5488444  595161404554313 3    544411 3      C-13-H3C(O)CH3
  531550.0642  0.0067 -4.1583 3  162.7271408  595161404251610 2    241311 2      C-13-H3C(O)CH3
  531561.4301  0.1372 -5.8331 3  655.6115A16  59516140463 262 2    63 163 2      C-13-H3C(O)CH3
  531561.4301  0.1372 -5.4925 3  655.6115A16  59516140463 262 2    63 063 2      C-13-H3C(O)CH3
  531561.4301  0.1372 -5.8331 3  655.6115A16  59516140463 162 2    63 063 2      C-13-H3C(O)CH3
  531561.4301  0.1372 -5.4925 3  655.6115A16  59516140463 162 2    63 163 2      C-13-H3C(O)CH3
  531565.2619  0.1412 -5.3295 3  655.6117A16  59516140463 262 1    63 063 1      C-13-H3C(O)CH3
  531565.2619  0.1412 -5.3295 3  655.6117A16  59516140463 162 1    63 163 1      C-13-H3C(O)CH3
  531579.3489  0.0463 -5.7472 3  777.3334420  595161404523814 4    513912 4      C-13-H3C(O)CH3
  531583.1999  0.0607 -6.1544 3  892.5608444  595161404554312 4    544410 4      C-13-H3C(O)CH3
  531627.2704  0.0157 -6.3701 3   91.7549148  5951614041817 2 4    1714 4 4      C-13-H3C(O)CH3
  531646.8962  0.1507 -6.0015 3 1423.0581D04  595161404811863 0    811764 0      C-13-H3C(O)CH3
  531646.8962  0.1507 -6.0149 3 1423.0581D04  595161404811863 0    811864 0      C-13-H3C(O)CH3
  531646.8962  0.1507 -6.0149 3 1423.0581D04  595161404811963 0    811764 0      C-13-H3C(O)CH3
  531646.8962  0.1507 -6.0015 3 1423.0581D04  595161404811963 0    811864 0      C-13-H3C(O)CH3
  531659.4303  0.0881 -6.2542 3  642.7010776  595161404483217 2    473314 2      C-13-H3C(O)CH3
  531703.5994  0.1801 -5.7074 3 1423.0745D04  595161404811963 1    811864 1      C-13-H3C(O)CH3
  531703.5994  0.1801 -5.7074 3 1423.0745D04  595161404811863 1    811764 1      C-13-H3C(O)CH3
  531710.9540  0.1786 -5.9175 3 1423.0750D04  595161404811963 2    811864 2      C-13-H3C(O)CH3
  531710.9540  0.1786 -6.1226 3 1423.0750D04  595161404811963 2    811764 2      C-13-H3C(O)CH3
  531710.9540  0.1786 -6.1226 3 1423.0750D04  595161404811863 2    811864 2      C-13-H3C(O)CH3
  531710.9540  0.1786 -5.9175 3 1423.0750D04  595161404811863 2    811764 2      C-13-H3C(O)CH3
  531724.3048  0.0169 -6.3802 3   91.9006148  5951614041817 1 4    1714 3 4      C-13-H3C(O)CH3
  531730.6696  0.0069 -4.1584 3  162.7294408  595161404251610 0    241311 0      C-13-H3C(O)CH3
  531767.7684  0.1100 -6.0083 3 1423.0914652  595161404811963 3    811764 3      C-13-H3C(O)CH3
  531767.7684  0.1100 -6.0083 3 1423.0914652  595161404811863 3    811864 3      C-13-H3C(O)CH3
  531767.9175  0.1100 -6.0554 3 1423.0914652  595161404811963 4    811764 4      C-13-H3C(O)CH3
  531767.9175  0.1100 -6.0554 3 1423.0914652  595161404811863 4    811864 4      C-13-H3C(O)CH3
  531806.2071  0.0159 -6.3761 3   91.8241148  5951614041817 1 3    1714 4 3      C-13-H3C(O)CH3
  531827.0301  0.0037 -3.8408 3  481.5863436  59516140454 153 3    53 252 3      C-13-H3C(O)CH3
  531827.0301  0.0037 -4.0718 3  481.5863436  59516140454 253 3    53 252 3      C-13-H3C(O)CH3
  531827.0449  0.0037 -4.0163 3  481.5863436  59516140454 253 4    53 152 4      C-13-H3C(O)CH3
  531827.0449  0.0037 -3.8771 3  481.5863436  59516140454 153 4    53 152 4      C-13-H3C(O)CH3
  531827.0494  0.0037 -3.8408 3  481.5863436 -59516140454 253 3    53 152 3      C-13-H3C(O)CH3
  531827.0494  0.0037 -3.8771 3  481.5863436 -59516140454 253 4    53 252 4      C-13-H3C(O)CH3
  531827.0494  0.0037 -4.0163 3  481.5863436 -59516140454 153 4    53 252 4      C-13-H3C(O)CH3
  531827.0494  0.0037 -4.0718 3  481.5863436 -59516140454 153 3    53 152 3      C-13-H3C(O)CH3
  531827.1956  0.0635 -5.3562 3  694.2481A32  59516140464 262 0    64 163 0      C-13-H3C(O)CH3
  531827.1956  0.0635 -5.4754 3  694.2481A32  59516140464 362 0    64 163 0      C-13-H3C(O)CH3
  531827.1956  0.0635 -5.4754 3  694.2481A32  59516140464 262 0    64 263 0      C-13-H3C(O)CH3
  531827.1956  0.0635 -5.3562 3  694.2481A32  59516140464 362 0    64 263 0      C-13-H3C(O)CH3
  531845.7666  0.0045 -6.3576 3  481.5468872 -59516140454 253 2    53 152 2      C-13-H3C(O)CH3
  531845.7666  0.0049 -3.7616 3  481.5472872 -59516140454 153 1    53 152 1      C-13-H3C(O)CH3
  531845.7666  0.0045 -6.3576 3  481.5468872 -59516140454 153 2    53 252 2      C-13-H3C(O)CH3
  531845.7666  0.0049 -3.5451 3  481.5472872 -59516140454 253 1    53 152 1      C-13-H3C(O)CH3
  531845.7826  0.0049 -3.5451 3  481.5472872  59516140454 153 1    53 252 1      C-13-H3C(O)CH3
  531845.7826  0.0049 -3.7616 3  481.5472872  59516140454 253 1    53 252 1      C-13-H3C(O)CH3
  531845.7976  0.0045 -3.3394 3  481.5468872  59516140454 153 2    53 152 2      C-13-H3C(O)CH3
  531845.7976  0.0045 -3.3394 3  481.5468872  59516140454 253 2    53 252 2      C-13-H3C(O)CH3
  531857.0903  0.0286 -5.4928 3  232.2655236  5951614042921 8 4    2820 9 4      C-13-H3C(O)CH3
  531864.4127  0.0037 -3.5574 3  481.5079872 -59516140454 253 0    53 252 0      C-13-H3C(O)CH3
  531864.4127  0.0037 -3.5574 3  481.5079872 -59516140454 153 0    53 152 0      C-13-H3C(O)CH3
  531864.4127  0.0037 -3.7420 3  481.5079872 -59516140454 253 0    53 152 0      C-13-H3C(O)CH3
  531864.4127  0.0037 -3.7420 3  481.5079872 -59516140454 153 0    53 252 0      C-13-H3C(O)CH3
  531945.5499  0.0242 -4.4998 3  457.6862664  595161404412516 1    402615 1      C-13-H3C(O)CH3
  532038.1607  0.0087 -6.2618 3  284.3676552  595161404341420 2    341123 2      C-13-H3C(O)CH3
  532038.2518  0.0087 -6.2618 3  284.3676552  595161404341520 2    341223 2      C-13-H3C(O)CH3
  532053.9587  0.0247 -4.4980 3  457.7031664  595161404412516 0    402615 0      C-13-H3C(O)CH3
  532068.5777  0.0087 -6.2602 3  284.3691552  595161404341420 1    341123 1      C-13-H3C(O)CH3
  532068.6640  0.0087 -6.2602 3  284.3691552  595161404341520 1    341223 1      C-13-H3C(O)CH3
  532096.0258  0.0048 -4.3774 3  159.9979204  595161404251511 4    241212 4      C-13-H3C(O)CH3
  532097.9488  0.0649 -6.0330 3  642.6840776  595161404483217 1    473314 1      C-13-H3C(O)CH3
  532109.2898  0.0044 -4.3774 3  159.9978204  595161404251511 3    241212 3      C-13-H3C(O)CH3
  532169.5530  0.0078 -6.2603 3  284.3885552  595161404341420 0    341123 0      C-13-H3C(O)CH3
  532169.6386  0.0078 -6.2603 3  284.3885552  595161404341520 0    341223 0      C-13-H3C(O)CH3
  532211.0813  0.1427 -5.6284 3 1374.4963C88  595161404801863 0    801764 0      C-13-H3C(O)CH3
  532211.0813  0.1427 -5.6284 3 1374.4963C88  595161404801763 0    801664 0      C-13-H3C(O)CH3
  532255.0814  0.0045 -4.0762 3  159.9997408  595161404251511 1    241212 1      C-13-H3C(O)CH3
  532268.6425  0.0044 -4.0767 3  159.9948408  595161404251511 2    241212 2      C-13-H3C(O)CH3
  532283.8587  0.0307 -6.3080 3  536.7514712  595161404442915 0    442420 0      C-13-H3C(O)CH3
  532288.6422  0.1728 -6.2978 3 1374.5092C88  595161404801763 1    801664 1      C-13-H3C(O)CH3
  532288.6422  0.1728 -5.7329 3 1374.5092C88  595161404801763 1    801764 1      C-13-H3C(O)CH3
  532288.6422  0.1728 -5.7329 3 1374.5092C88  595161404801863 1    801664 1      C-13-H3C(O)CH3
  532288.6422  0.1728 -6.2978 3 1374.5092C88  595161404801863 1    801764 1      C-13-H3C(O)CH3
  532294.7427  0.1718 -5.6300 3 1374.5095C88  595161404801763 2    801664 2      C-13-H3C(O)CH3
  532294.7427  0.1718 -5.6300 3 1374.5095C88  595161404801863 2    801764 2      C-13-H3C(O)CH3
  532346.5000  0.3413 -6.2617 3  950.4344952  595161404593425 0    583722 0      C-13-H3C(O)CH3
  532353.2283  0.0139 -6.0779 3   91.8607296  5951614041817 1 1    1714 3 1      C-13-H3C(O)CH3
  532372.4315  0.1047 -6.4987 3 1374.5224644  595161404801863 3    801764 3      C-13-H3C(O)CH3
  532372.4315  0.1047 -6.4987 3 1374.5224644  595161404801763 3    801664 3      C-13-H3C(O)CH3
  532372.4315  0.1047 -6.0655 3 1374.5224644  595161404801863 3    801664 3      C-13-H3C(O)CH3
  532372.4315  0.1047 -6.0655 3 1374.5224644  595161404801763 3    801764 3      C-13-H3C(O)CH3
  532372.6087  0.1048 -5.9802 3 1374.5224644  595161404801863 4    801664 4      C-13-H3C(O)CH3
  532372.6087  0.1048 -5.9802 3 1374.5224644  595161404801763 4    801764 4      C-13-H3C(O)CH3
  532419.5728  0.0048 -4.0765 3  159.9967408  595161404251511 0    241212 0      C-13-H3C(O)CH3
  532432.2271  0.0146 -6.0733 3   91.7844296  5951614041817 2 1    1714 4 1      C-13-H3C(O)CH3
  532433.2981  0.0084 -3.9837 3  190.2946440  595161404271611 2    261512 2      C-13-H3C(O)CH3
  532438.9773  0.0143 -6.0749 3   91.7962296  5951614041817 2 2    1714 4 2      C-13-H3C(O)CH3
  532499.5205  0.1077 -5.8352 3  655.5474A16  59516140463 162 0    63 063 0      C-13-H3C(O)CH3
  532499.5205  0.1077 -5.8352 3  655.5474A16  59516140463 262 0    63 163 0      C-13-H3C(O)CH3
  532499.5205  0.1077 -5.4886 3  655.5474A16  59516140463 162 0    63 163 0      C-13-H3C(O)CH3
  532499.5205  0.1077 -5.4886 3  655.5474A16  59516140463 262 0    63 063 0      C-13-H3C(O)CH3
  532510.0744  0.0787 -5.8204 3  642.6948388  595161404483217 3    473314 3      C-13-H3C(O)CH3
  532516.3320  0.0079 -3.9837 3  190.3044440  595161404271611 0    261512 0      C-13-H3C(O)CH3
  532526.2187  0.0035 -3.8447 3  459.1956380 -59516140447 938 4    461037 4      C-13-H3C(O)CH3
  532526.2187  0.0035 -4.5048 3  459.1956380 -59516140447 938 4    46 937 4      C-13-H3C(O)CH3
  532526.2187  0.0035 -3.7590 3  459.1956380 -59516140447 938 3    461037 3      C-13-H3C(O)CH3
  532526.2187  0.0035 -4.5048 3  459.1956380 -595161404471038 4    461037 4      C-13-H3C(O)CH3
  532526.2187  0.0035 -3.7590 3  459.1956380 -595161404471038 3    46 937 3      C-13-H3C(O)CH3
  532526.2187  0.0035 -3.8447 3  459.1956380 -595161404471038 4    46 937 4      C-13-H3C(O)CH3
  532543.4283  0.0045 -3.4579 3  459.2234760 -595161404471038 1    461037 1      C-13-H3C(O)CH3
  532543.4283  0.0045 -3.4579 3  459.2234760 -59516140447 938 1    46 937 1      C-13-H3C(O)CH3
  532544.4273  0.0044 -3.4578 3  459.2228760  595161404471038 2    461037 2      C-13-H3C(O)CH3
  532544.4273  0.0044 -3.4578 3  459.2228760  59516140447 938 2    46 937 2      C-13-H3C(O)CH3
  532561.5479  0.0032 -3.5261 3  459.2506760 -595161404471038 0    461037 0      C-13-H3C(O)CH3
  532561.5479  0.0032 -4.2950 3  459.2506760 -595161404471038 0    46 937 0      C-13-H3C(O)CH3
  532561.5479  0.0032 -3.5261 3  459.2506760 -59516140447 938 0    46 937 0      C-13-H3C(O)CH3
  532561.5479  0.0032 -4.2950 3  459.2506760 -59516140447 938 0    461037 0      C-13-H3C(O)CH3
  532623.3606  0.0131 -6.0804 3   91.8654296  5951614041817 1 2    1714 3 2      C-13-H3C(O)CH3
  532651.6570  0.0103 -4.2860 3  190.2899220  595161404271611 3    261512 3      C-13-H3C(O)CH3
  532660.7579  0.0128 -4.2860 3  190.2898220  595161404271611 4    261512 4      C-13-H3C(O)CH3
  532695.4586  0.2272 -6.3506 3 1057.8695A00  595161404623825 0    623528 0      C-13-H3C(O)CH3
  532721.9490  0.3767 -6.4903 3 1170.2702A48  595161404654125 0    653828 0      C-13-H3C(O)CH3
  532728.0045  0.0119 -5.9983 3  462.5293680  595161404422121 0    421824 0      C-13-H3C(O)CH3
  532734.8440  0.0087 -3.9849 3  190.2996440  595161404271611 1    261512 1      C-13-H3C(O)CH3
  532738.5838  0.0480 -5.3154 3  642.6562388  595161404483217 4    473315 4      C-13-H3C(O)CH3
  532742.3363  0.0402 -5.4657 3  642.6870388  595161404483217 3    473315 3      C-13-H3C(O)CH3
  532758.4596  0.1318 -5.5816 3 1326.5110C72  595161404791763 0    791664 0      C-13-H3C(O)CH3
  532758.4596  0.1318 -5.5816 3 1326.5110C72  595161404791663 0    791564 0      C-13-H3C(O)CH3
  532773.1144  0.0335 -6.3289 3  536.7323712  595161404442915 1    442420 1      C-13-H3C(O)CH3
  532773.7777  0.0119 -5.9982 3  462.5293680  595161404422221 0    421924 0      C-13-H3C(O)CH3
  532776.8371  0.0150 -5.9985 3  462.5020680  595161404422121 2    421824 2      C-13-H3C(O)CH3
  532814.6075  0.0414 -5.0307 3  642.6624776  595161404483217 2    473315 2      C-13-H3C(O)CH3
  532818.8768  0.0129 -5.9975 3  462.5041680  595161404422121 1    421824 1      C-13-H3C(O)CH3
  532825.1552  0.0149 -5.9984 3  462.5020680  595161404422221 2    421924 2      C-13-H3C(O)CH3
  532856.2845  0.1606 -5.5839 3 1326.5196C72  595161404791663 1    791564 1      C-13-H3C(O)CH3
  532856.2845  0.1606 -5.5839 3 1326.5196C72  595161404791763 1    791664 1      C-13-H3C(O)CH3
  532861.0255  0.1602 -5.7278 3 1326.5197C72  595161404791663 2    791664 2      C-13-H3C(O)CH3
  532861.0255  0.1602 -5.7278 3 1326.5197C72  595161404791763 2    791564 2      C-13-H3C(O)CH3
  532861.0255  0.1602 -6.0301 3 1326.5197C72  595161404791763 2    791664 2      C-13-H3C(O)CH3
  532861.0255  0.1602 -6.0301 3 1326.5197C72  595161404791663 2    791564 2      C-13-H3C(O)CH3
  532861.8700  0.0342 -5.0059 3  642.6597776  595161404483217 0    473314 0      C-13-H3C(O)CH3
  532865.8529  0.0129 -5.9974 3  462.5041680  595161404422221 1    421924 1      C-13-H3C(O)CH3
  532867.9361  0.0157 -6.2986 3  462.4767340  595161404422121 3    421824 3      C-13-H3C(O)CH3
  532868.1546  0.0157 -6.2986 3  462.4767340  595161404422121 4    421824 4      C-13-H3C(O)CH3
  532870.2449  0.1667 -6.3507 3 1057.8809A00  595161404623825 2    623528 2      C-13-H3C(O)CH3
  532884.0948  0.0096 -6.2105 3   82.6395296  5951614041814 5 0    17 9 8 0      C-13-H3C(O)CH3
  532917.5406  0.0156 -6.2985 3  462.4767340  595161404422221 3    421924 3      C-13-H3C(O)CH3
  532917.6293  0.0156 -6.2985 3  462.4767340  595161404422221 4    421924 4      C-13-H3C(O)CH3
  532934.3757  0.2126 -6.3508 3 1057.8789A00  595161404623825 1    623528 1      C-13-H3C(O)CH3
  532958.9928  0.0986 -5.8701 3 1326.5283636  595161404791763 3    791564 3      C-13-H3C(O)CH3
  532958.9928  0.0986 -5.8701 3 1326.5283636  595161404791663 3    791664 3      C-13-H3C(O)CH3
  532959.1953  0.0987 -5.9258 3 1326.5283636  595161404791663 4    791664 4      C-13-H3C(O)CH3
  532959.1953  0.0987 -5.9258 3 1326.5283636  595161404791763 4    791564 4      C-13-H3C(O)CH3
  532980.1402  0.0057 -5.0244 3  484.1544444 -59516140455 055 4    54 154 4      C-13-H3C(O)CH3
  532980.1402  0.0057 -5.5647 3  484.1544444 -59516140455 155 3    54 054 3      C-13-H3C(O)CH3
  532980.1402  0.0057 -3.6431 3  484.1544444 -59516140455 155 4    54 154 4      C-13-H3C(O)CH3
  532980.1402  0.0057 -5.5647 3  484.1544444 -59516140455 055 3    54 154 3      C-13-H3C(O)CH3
  532980.1810  0.0057 -3.6431 3  484.1544444  59516140455 055 4    54 054 4      C-13-H3C(O)CH3
  532980.1810  0.0057 -5.0244 3  484.1544444  59516140455 155 4    54 054 4      C-13-H3C(O)CH3
  532980.1934  0.0057 -3.6305 3  484.1544444  59516140455 155 3    54 154 3      C-13-H3C(O)CH3
  532980.1934  0.0057 -3.6305 3  484.1544444  59516140455 055 3    54 054 3      C-13-H3C(O)CH3
  532984.0787  0.0087 -3.3244 3  484.0891888  59516140455 155 1    54 154 1      C-13-H3C(O)CH3
  532984.2079  0.0087 -3.3244 3  484.0891888 -59516140455 055 1    54 054 1      C-13-H3C(O)CH3
  532984.2079  0.0081 -4.3329 3  484.0888888 -59516140455 155 2    54 054 2      C-13-H3C(O)CH3
  532984.2079  0.0081 -3.3691 3  484.0888888 -59516140455 055 2    54 054 2      C-13-H3C(O)CH3
  532984.2079  0.0081 -3.3691 3  484.0888888 -59516140455 155 2    54 154 2      C-13-H3C(O)CH3
  532984.2079  0.0081 -4.3329 3  484.0888888 -59516140455 055 2    54 154 2      C-13-H3C(O)CH3
  532988.1132  0.0064 -3.4707 3  484.0237888  59516140455 155 0    54 154 0      C-13-H3C(O)CH3
  532988.1132  0.0064 -3.8672 3  484.0237888  59516140455 055 0    54 154 0      C-13-H3C(O)CH3
  532988.1856  0.0064 -3.4707 3  484.0237888 -59516140455 055 0    54 054 0      C-13-H3C(O)CH3
  532988.1856  0.0064 -3.8672 3  484.0237888 -59516140455 155 0    54 054 0      C-13-H3C(O)CH3
  533021.2798  0.0346 -5.0485 3  642.6532776  595161404483217 1    473315 1      C-13-H3C(O)CH3
  533162.2677  0.3689 -6.4916 3 1170.2827A48  595161404654125 2    653828 2      C-13-H3C(O)CH3
  533238.9771  0.0510 -6.3540 3  536.7266712  595161404442915 2    442420 2      C-13-H3C(O)CH3
  533242.2220  0.0145 -6.0790 3   91.8258296  5951614041817 2 0    1714 3 0      C-13-H3C(O)CH3
  533256.5086  0.0145 -6.0790 3   91.8253296  5951614041817 1 0    1714 4 0      C-13-H3C(O)CH3
  533290.8904  0.1185 -5.5084 3 1279.1029C56  595161404781563 0    781564 0      C-13-H3C(O)CH3
  533290.8904  0.1185 -5.5084 3 1279.1029C56  595161404781663 0    781464 0      C-13-H3C(O)CH3
  533301.6648  0.0208 -6.4379 3  460.5828664  595161404412615 0    412120 0      C-13-H3C(O)CH3
  533327.7432  0.0305 -5.0301 3  642.7010776  595161404483216 2    473314 2      C-13-H3C(O)CH3
  533336.0548  0.3322 -6.4924 3 1170.2800A48  595161404654125 1    653828 1      C-13-H3C(O)CH3
  533344.7880  0.0388 -5.4648 3  642.6948388  595161404483216 3    473314 3      C-13-H3C(O)CH3
  533349.5796  0.0289 -5.3148 3  642.7256388  595161404483216 4    473314 4      C-13-H3C(O)CH3
  533407.2890  0.1442 -6.2476 3 1279.1065C56  595161404781663 1    781464 1      C-13-H3C(O)CH3
  533407.2890  0.1442 -5.5600 3 1279.1065C56  595161404781563 1    781464 1      C-13-H3C(O)CH3
  533407.2890  0.1442 -6.2476 3 1279.1065C56  595161404781563 1    781564 1      C-13-H3C(O)CH3
  533407.2890  0.1442 -5.5600 3 1279.1065C56  595161404781663 1    781564 1      C-13-H3C(O)CH3
  533410.6624  0.1443 -6.3933 3 1279.1064C56  595161404781663 2    781564 2      C-13-H3C(O)CH3
  533410.6624  0.1443 -5.5353 3 1279.1064C56  595161404781563 2    781564 2      C-13-H3C(O)CH3
  533410.6624  0.1443 -6.3933 3 1279.1064C56  595161404781563 2    781464 2      C-13-H3C(O)CH3
  533410.6624  0.1443 -5.5353 3 1279.1064C56  595161404781663 2    781464 2      C-13-H3C(O)CH3
  533425.3640  0.0361 -5.0479 3  642.6840776  595161404483216 1    473314 1      C-13-H3C(O)CH3
  533479.8826  0.0220 -6.4381 3  460.5559664  595161404412615 2    412120 2      C-13-H3C(O)CH3
  533487.4754  0.0217 -6.4375 3  460.5601664  595161404412615 1    412120 1      C-13-H3C(O)CH3
  533522.9316  0.0104 -3.9626 3  258.4023252  595161404312012 3    301911 3      C-13-H3C(O)CH3
  533527.2143  0.0918 -6.3508 3 1279.1100628  595161404781663 3    781464 3      C-13-H3C(O)CH3
  533527.2143  0.0918 -5.9155 3 1279.1100628  595161404781563 3    781464 3      C-13-H3C(O)CH3
  533527.2143  0.0918 -5.9155 3 1279.1100628  595161404781663 3    781564 3      C-13-H3C(O)CH3
  533527.2143  0.0918 -6.3508 3 1279.1100628  595161404781563 3    781564 3      C-13-H3C(O)CH3
  533527.4365  0.0919 -5.7815 3 1279.1100628  595161404781663 4    781564 4      C-13-H3C(O)CH3
  533527.4365  0.0919 -5.7815 3 1279.1100628  595161404781563 4    781464 4      C-13-H3C(O)CH3
  533537.3912  0.0089 -3.9625 3  258.4017252  595161404312012 4    301911 4      C-13-H3C(O)CH3
  533546.2705  0.0075 -3.6618 3  258.4220504  595161404312012 1    301911 1      C-13-H3C(O)CH3
  533546.6074  0.1873 -6.3145 3  916.6528920  595161404573918 0    573621 0      C-13-H3C(O)CH3
  533561.1224  0.2951 -6.4382 3 1106.8002A16  595161404634123 0    633826 0      C-13-H3C(O)CH3
  533577.0499  0.0661 -5.8182 3  642.6870388  595161404483216 3    473315 3      C-13-H3C(O)CH3
  533600.2106  0.0034 -5.6138 3  466.1019388 -59516140448 940 3    47 839 3      C-13-H3C(O)CH3
  533600.2106  0.0034 -3.8630 3  466.1019388 -59516140448 840 4    47 939 4      C-13-H3C(O)CH3
  533600.2106  0.0034 -3.8630 3  466.1019388 -59516140448 940 4    47 839 4      C-13-H3C(O)CH3
  533600.2106  0.0034 -4.3713 3  466.1019388 -59516140448 940 4    47 939 4      C-13-H3C(O)CH3
  533600.2106  0.0034 -3.7515 3  466.1019388 -59516140448 940 3    47 939 3      C-13-H3C(O)CH3
  533600.2106  0.0034 -3.7515 3  466.1019388 -59516140448 840 3    47 839 3      C-13-H3C(O)CH3
  533600.2106  0.0034 -5.6138 3  466.1019388 -59516140448 840 3    47 939 3      C-13-H3C(O)CH3
  533600.2106  0.0034 -4.3713 3  466.1019388 -59516140448 840 4    47 839 4      C-13-H3C(O)CH3
  533600.4697  0.0068 -4.0948 3  362.8741300  595161404372017 3    362116 3      C-13-H3C(O)CH3
  533604.2099  0.0062 -4.0948 3  362.8740300  595161404372017 4    362116 4      C-13-H3C(O)CH3
  533621.5403  0.0044 -3.4446 3  466.1276776 -59516140448 840 2    47 839 2      C-13-H3C(O)CH3
  533621.5403  0.0044 -3.4446 3  466.1276776 -59516140448 940 2    47 939 2      C-13-H3C(O)CH3
  533621.5403  0.0044 -3.4969 3  466.1281776 -59516140448 840 1    47 839 1      C-13-H3C(O)CH3
  533621.5403  0.0044 -3.4969 3  466.1281776 -59516140448 940 1    47 939 1      C-13-H3C(O)CH3
  533621.5403  0.0044 -4.3902 3  466.1281776 -59516140448 940 1    47 839 1      C-13-H3C(O)CH3
  533621.5403  0.0044 -4.3902 3  466.1281776 -59516140448 840 1    47 939 1      C-13-H3C(O)CH3
  533630.1009  0.0064 -3.7939 3  362.8958600  595161404372017 2    362116 2      C-13-H3C(O)CH3
  533641.7372  0.0349 -5.0044 3  642.6589776  595161404483216 0    473315 0      C-13-H3C(O)CH3
  533642.7082  0.0031 -5.3122 3  466.1537776 -59516140448 840 0    47 939 0      C-13-H3C(O)CH3
  533642.7082  0.0031 -3.4506 3  466.1537776 -59516140448 940 0    47 939 0      C-13-H3C(O)CH3
  533642.7082  0.0031 -5.3122 3  466.1537776 -59516140448 940 0    47 839 0      C-13-H3C(O)CH3
  533642.7082  0.0031 -3.4506 3  466.1537776 -59516140448 840 0    47 839 0      C-13-H3C(O)CH3
  533679.1551  0.0052 -3.7932 3  362.9017600  595161404372017 1    362116 1      C-13-H3C(O)CH3
  533708.2198  0.0050 -3.7934 3  362.9233600  595161404372017 0    362116 0      C-13-H3C(O)CH3
  533810.4949  0.1033 -5.9051 3 1232.2727C40  595161404771463 0    771364 0      C-13-H3C(O)CH3
  533810.4949  0.1033 -5.5760 3 1232.2727C40  595161404771463 0    771464 0      C-13-H3C(O)CH3
  533810.4949  0.1033 -5.5760 3 1232.2727C40  595161404771563 0    771364 0      C-13-H3C(O)CH3
  533810.4949  0.1033 -5.9051 3 1232.2727C40  595161404771563 0    771464 0      C-13-H3C(O)CH3
  533825.3075  0.0072 -3.6592 3  258.4121504  595161404312012 2    301911 2      C-13-H3C(O)CH3
  533836.8273  0.0062 -3.6595 3  258.4321504  595161404312012 0    301911 0      C-13-H3C(O)CH3
  533885.3075  0.1009 -6.1748 3  887.9481920  595161404573424 0    573127 0      C-13-H3C(O)CH3
  533896.5081  0.0951 -6.1744 3  887.9533920  595161404573424 2    573127 2      C-13-H3C(O)CH3
  533912.0614  0.1025 -6.1743 3  887.9529920  595161404573424 1    573127 1      C-13-H3C(O)CH3
  533920.6708  0.0956 -6.4751 3  887.9582460  595161404573424 4    573127 4      C-13-H3C(O)CH3
  533931.7638  0.0939 -6.4751 3  887.9582460  595161404573424 3    573127 3      C-13-H3C(O)CH3
  533942.4741  0.1246 -5.4139 3 1232.2707C40  595161404771563 1    771464 1      C-13-H3C(O)CH3
  533942.4741  0.1246 -5.4139 3 1232.2707C40  595161404771463 1    771364 1      C-13-H3C(O)CH3
  533944.5679  0.1250 -5.5462 3 1232.2706C40  595161404771463 2    771464 2      C-13-H3C(O)CH3
  533944.5679  0.1250 -5.5462 3 1232.2706C40  595161404771563 2    771364 2      C-13-H3C(O)CH3
  533944.5679  0.1250 -5.9755 3 1232.2706C40  595161404771563 2    771464 2      C-13-H3C(O)CH3
  533944.5679  0.1250 -5.9755 3 1232.2706C40  595161404771463 2    771364 2      C-13-H3C(O)CH3
  533949.8744  0.0845 -6.3600 3  731.9863420  595161404522923 3    522626 3      C-13-H3C(O)CH3
  533952.3879  0.0850 -6.3600 3  731.9863420  595161404522923 4    522626 4      C-13-H3C(O)CH3
  533987.0987  0.0044 -4.6139 3  120.9654188  59516140423 914 3    22 815 3      C-13-H3C(O)CH3
  533987.1375  0.0061 -4.6139 3  120.9654188  59516140423 914 4    22 815 4      C-13-H3C(O)CH3
  533988.8292  0.0044 -4.6139 3  120.9654188  595161404231014 3    22 715 3      C-13-H3C(O)CH3
  533988.8548  0.0060 -4.6139 3  120.9654188  595161404231014 4    22 715 4      C-13-H3C(O)CH3
  534019.9634  0.0043 -5.7826 3  243.3157244  595161404302010 3    291910 3      C-13-H3C(O)CH3
  534024.2935  0.0034 -5.3265 3  243.3163244  595161404302010 4    291910 4      C-13-H3C(O)CH3
  534064.3768  0.0837 -6.0596 3  731.9909840  595161404522923 2    522626 2      C-13-H3C(O)CH3
  534069.3544  0.0035 -5.2306 3  243.3336488  595161404302010 1    291910 1      C-13-H3C(O)CH3
  534076.7066  0.0847 -5.7169 3 1232.2686620  595161404771463 3    771464 3      C-13-H3C(O)CH3
  534076.7066  0.0847 -5.7169 3 1232.2686620  595161404771563 3    771364 3      C-13-H3C(O)CH3
  534076.9392  0.0847 -6.1033 3 1232.2686620  595161404771563 4    771464 4      C-13-H3C(O)CH3
  534076.9392  0.0847 -6.1033 3 1232.2686620  595161404771463 4    771364 4      C-13-H3C(O)CH3
  534076.9392  0.0847 -5.9342 3 1232.2686620  595161404771563 4    771364 4      C-13-H3C(O)CH3
  534076.9392  0.0847 -5.9342 3 1232.2686620  595161404771463 4    771464 4      C-13-H3C(O)CH3
  534119.4950  0.0510 -6.0592 3  731.9918840  595161404522923 1    522626 1      C-13-H3C(O)CH3
  534153.6281  0.0361 -5.6785 3  850.3279872  595161404544114 0    534211 0      C-13-H3C(O)CH3
  534153.6308  0.0361 -5.6785 3  850.3279872  595161404544113 0    534212 0      C-13-H3C(O)CH3
  534158.6109  0.0057 -3.4378 3  228.0434220  5951614042726 1 4    2625 1 4      C-13-H3C(O)CH3
  534166.5987  0.0035 -6.3963 3  243.3297488  595161404302010 2    291910 2      C-13-H3C(O)CH3
  534167.1368  0.0314 -6.4043 3  496.9709664  5951614044133 8 2    413011 2      C-13-H3C(O)CH3
  534204.6957  0.3292 -6.4606 3 1106.8144A16  595161404634123 2    633826 2      C-13-H3C(O)CH3
  534230.6831  0.0513 -6.0599 3  731.9965840  595161404522923 0    522626 0      C-13-H3C(O)CH3
  534259.9992  0.0044 -4.3121 3  120.9468376  59516140423 914 2    22 815 2      C-13-H3C(O)CH3
  534261.0025  0.0412 -5.6788 3  850.3553872  595161404544113 1    534211 1      C-13-H3C(O)CH3
  534261.7922  0.0044 -4.3121 3  120.9468376  595161404231014 2    22 715 2      C-13-H3C(O)CH3
  534263.5401  0.0296 -6.4053 3  496.9288664  5951614044133 9 1    413012 1      C-13-H3C(O)CH3
  534282.5172  0.0043 -4.3123 3  120.9481376  59516140423 914 1    22 815 1      C-13-H3C(O)CH3
  534284.2352  0.0043 -4.3123 3  120.9481376  595161404231014 1    22 715 1      C-13-H3C(O)CH3
  534288.4450  0.2594 -6.4625 3 1106.8136A16  595161404634123 1    633826 1      C-13-H3C(O)CH3
  534309.2945  0.0047 -3.1367 3  228.1057440 -5951614042726 1 2    2625 1 2      C-13-H3C(O)CH3
  534319.6776  0.0871 -5.9488 3 1186.0211C24  595161404761463 0    761264 0      C-13-H3C(O)CH3
  534319.6776  0.0871 -5.4658 3 1186.0211C24  595161404761363 0    761264 0      C-13-H3C(O)CH3
  534319.6776  0.0871 -5.4658 3 1186.0211C24  595161404761463 0    761364 0      C-13-H3C(O)CH3
  534319.6776  0.0871 -5.9488 3 1186.0211C24  595161404761363 0    761364 0      C-13-H3C(O)CH3
  534331.8822  0.0049 -3.1366 3  228.0874440 -5951614042726 1 1    2625 1 1      C-13-H3C(O)CH3
  534331.9680  0.0378 -5.6786 3  850.3486872  595161404544114 1    534212 1      C-13-H3C(O)CH3
  534338.1550  0.0693 -6.1978 3  714.2167808  595161404503614 0    503317 0      C-13-H3C(O)CH3
  534348.6950  0.0548 -6.0285 3  642.6532776  595161404483216 1    473315 1      C-13-H3C(O)CH3
  534353.2326  0.0405 -5.6784 3  850.3617872  595161404544113 2    534211 2      C-13-H3C(O)CH3
  534392.0471  0.0056 -3.4374 3  228.0143220  5951614042726 2 3    2625 2 3      C-13-H3C(O)CH3
  534437.6082  0.0293 -6.4081 3  496.9415664  5951614044133 9 2    413012 2      C-13-H3C(O)CH3
  534444.3758  0.0055 -3.4373 3  228.0324220  5951614042726 1 3    2625 1 3      C-13-H3C(O)CH3
  534447.0093  0.0406 -5.6788 3  850.3554872  595161404544114 2    534212 2      C-13-H3C(O)CH3
  534456.9455  0.0293 -6.4068 3  496.9542664  5951614044133 8 0    413011 0      C-13-H3C(O)CH3
  534460.6119  0.0293 -6.4068 3  496.9541664  5951614044133 9 0    413012 0      C-13-H3C(O)CH3
  534460.6762  0.0523 -5.9796 3  850.3891436  595161404544113 3    534211 3      C-13-H3C(O)CH3
  534462.7229  0.1032 -5.3439 3 1186.0131C24  595161404761463 1    761264 1      C-13-H3C(O)CH3
  534462.7229  0.1032 -5.3439 3 1186.0131C24  595161404761363 1    761364 1      C-13-H3C(O)CH3
  534463.7143  0.1036 -5.4557 3 1186.0129C24  595161404761463 2    761264 2      C-13-H3C(O)CH3
  534463.7143  0.1036 -5.4557 3 1186.0129C24  595161404761363 2    761364 2      C-13-H3C(O)CH3
  534463.7143  0.1036 -5.9797 3 1186.0129C24  595161404761363 2    761264 2      C-13-H3C(O)CH3
  534463.7143  0.1036 -5.9797 3 1186.0129C24  595161404761463 2    761364 2      C-13-H3C(O)CH3
  534482.9204  0.0648 -6.2485 3  642.6624776  595161404483216 2    473315 2      C-13-H3C(O)CH3
  534483.2007  0.0045 -3.1364 3  228.1497440 -5951614042726 1 0    2625 2 0      C-13-H3C(O)CH3
  534483.2007  0.0045 -3.1364 3  228.1497440 -5951614042726 2 0    2625 1 0      C-13-H3C(O)CH3
  534486.1386  0.0321 -6.4040 3  496.9527664  5951614044133 8 1    413011 1      C-13-H3C(O)CH3
  534531.5374  0.0498 -5.9795 3  850.3824436  595161404544114 4    534212 4      C-13-H3C(O)CH3
  534542.8416  0.0045 -3.1362 3  228.0765440 -5951614042726 2 2    2625 2 2      C-13-H3C(O)CH3
  534554.8125  0.0044 -4.3115 3  120.9296376  59516140423 914 0    22 815 0      C-13-H3C(O)CH3
  534556.1251  0.0554 -5.9800 3  850.3827436  595161404544113 4    534211 4      C-13-H3C(O)CH3
  534556.5970  0.0044 -4.3115 3  120.9296376  595161404231014 0    22 715 0      C-13-H3C(O)CH3
  534596.4654  0.0214 -5.1689 3  623.6215776  595161404482821 0    472918 0      C-13-H3C(O)CH3
  534606.9189  0.0773 -5.9015 3 1186.0050612  595161404761363 3    761364 3      C-13-H3C(O)CH3
  534606.9189  0.0773 -5.9905 3 1186.0050612  595161404761363 3    761264 3      C-13-H3C(O)CH3
  534606.9189  0.0773 -5.9905 3 1186.0050612  595161404761463 3    761364 3      C-13-H3C(O)CH3
  534606.9189  0.0773 -5.9015 3 1186.0050612  595161404761463 3    761264 3      C-13-H3C(O)CH3
  534607.1483  0.0774 -6.1117 3 1186.0049612  595161404761463 4    761364 4      C-13-H3C(O)CH3
  534607.1483  0.0774 -5.8230 3 1186.0049612  595161404761363 4    761364 4      C-13-H3C(O)CH3
  534607.1483  0.0774 -6.1117 3 1186.0049612  595161404761363 4    761264 4      C-13-H3C(O)CH3
  534607.1483  0.0774 -5.8230 3 1186.0049612  595161404761463 4    761264 4      C-13-H3C(O)CH3
  534614.4062  0.0084 -6.3357 3  263.9193536  595161404331320 2    331023 2      C-13-H3C(O)CH3
  534614.4314  0.0084 -6.3357 3  263.9193536  595161404331420 2    331123 2      C-13-H3C(O)CH3
  534617.7453  0.0047 -3.1361 3  228.0763440 -5951614042726 2 1    2625 2 1      C-13-H3C(O)CH3
  534625.8831  0.0504 -5.9799 3  850.3760436  595161404544114 3    534212 3      C-13-H3C(O)CH3
  534642.5279  0.0084 -6.3339 3  263.9207536  595161404331320 1    331023 1      C-13-H3C(O)CH3
  534642.5517  0.0084 -6.3339 3  263.9207536  595161404331420 1    331123 1      C-13-H3C(O)CH3
  534677.1678  0.0060 -3.4369 3  228.0033220  5951614042726 2 4    2625 2 4      C-13-H3C(O)CH3
  534681.5831  0.1847 -6.4879 3 1868.0719E48  595161404902664 1    902565 1      C-13-H3C(O)CH3
  534681.5831  0.1847 -6.4879 3 1868.0719E48  595161404902764 1    902665 1      C-13-H3C(O)CH3
  534687.3897  0.0032 -5.8929 3  472.4646396 -59516140449 742 3    48 841 3      C-13-H3C(O)CH3
  534687.3897  0.0032 -3.7357 3  472.4646396 -59516140449 742 3    48 741 3      C-13-H3C(O)CH3
  534687.3897  0.0032 -5.8699 3  472.4646396 -59516140449 742 4    48 841 4      C-13-H3C(O)CH3
  534687.3897  0.0032 -3.7359 3  472.4646396 -59516140449 842 4    48 841 4      C-13-H3C(O)CH3
  534687.3897  0.0032 -5.8699 3  472.4646396 -59516140449 842 4    48 741 4      C-13-H3C(O)CH3
  534687.3897  0.0032 -3.7357 3  472.4646396 -59516140449 842 3    48 841 3      C-13-H3C(O)CH3
  534687.3897  0.0032 -3.7359 3  472.4646396 -59516140449 742 4    48 741 4      C-13-H3C(O)CH3
  534687.3897  0.0032 -5.8929 3  472.4646396 -59516140449 842 3    48 741 3      C-13-H3C(O)CH3
  534704.8727  0.0732 -6.2673 3  714.2376808  595161404503614 1    503317 1      C-13-H3C(O)CH3
  534712.3596  0.0043 -3.4322 3  472.4882792 -59516140449 842 1    48 841 1      C-13-H3C(O)CH3
  534712.3596  0.0043 -6.3593 3  472.4882792 -59516140449 842 1    48 741 1      C-13-H3C(O)CH3
  534712.3596  0.0042 -3.9149 3  472.4877792 -59516140449 842 2    48 841 2      C-13-H3C(O)CH3
  534712.3596  0.0042 -3.6047 3  472.4877792 -59516140449 842 2    48 741 2      C-13-H3C(O)CH3
  534712.3596  0.0043 -6.3593 3  472.4882792 -59516140449 742 1    48 841 1      C-13-H3C(O)CH3
  534712.3596  0.0042 -3.9149 3  472.4877792 -59516140449 742 2    48 741 2      C-13-H3C(O)CH3
  534712.3596  0.0042 -3.6047 3  472.4877792 -59516140449 742 2    48 841 2      C-13-H3C(O)CH3
  534712.3596  0.0043 -3.4322 3  472.4882792 -59516140449 742 1    48 741 1      C-13-H3C(O)CH3
  534725.6390  0.0648 -6.2995 3 1017.2774936  595161404584811 1    5749 9 1      C-13-H3C(O)CH3
  534737.0169  0.0031 -4.1121 3  472.5114792 -59516140449 742 0    48 741 0      C-13-H3C(O)CH3
  534737.0169  0.0031 -4.1121 3  472.5114792 -59516140449 842 0    48 841 0      C-13-H3C(O)CH3
  534737.0169  0.0031 -3.5334 3  472.5114792 -59516140449 842 0    48 741 0      C-13-H3C(O)CH3
  534737.0169  0.0031 -3.5334 3  472.5114792 -59516140449 742 0    48 841 0      C-13-H3C(O)CH3
  534760.3432  0.0224 -5.1655 3  623.6053776  595161404482821 1    472918 1      C-13-H3C(O)CH3
  534793.8354  0.0076 -6.3339 3  263.9362536  595161404331320 0    331023 0      C-13-H3C(O)CH3
  534793.8591  0.0076 -6.3339 3  263.9362536  595161404331420 0    331123 0      C-13-H3C(O)CH3
  534797.8191  0.0614 -6.2446 3  714.2487808  595161404503614 2    503317 2      C-13-H3C(O)CH3
  534821.1459  0.0709 -5.5951 3 1140.3485C08  595161404751263 0    751264 0      C-13-H3C(O)CH3
  534821.1459  0.0709 -5.5951 3 1140.3485C08  595161404751363 0    751164 0      C-13-H3C(O)CH3
  534821.1459  0.0709 -5.5661 3 1140.3485C08  595161404751363 0    751264 0      C-13-H3C(O)CH3
  534821.1459  0.0709 -5.5661 3 1140.3485C08  595161404751263 0    751164 0      C-13-H3C(O)CH3
  534865.8493  0.0037 -3.6463 3  389.2816632  595161404391821 1    381920 1      C-13-H3C(O)CH3
  534869.0901  0.0037 -3.9473 3  389.2529316  595161404391821 4    381920 4      C-13-H3C(O)CH3
  534869.1932  0.0037 -3.9473 3  389.2529316  595161404391821 3    381920 3      C-13-H3C(O)CH3
  534874.6872  0.0030 -3.6464 3  389.3068632  595161404391821 0    381920 0      C-13-H3C(O)CH3
  534876.6852  0.0037 -3.6463 3  389.2813632  595161404391921 1    381820 1      C-13-H3C(O)CH3
  534878.0718  0.0038 -3.6464 3  389.2781632  595161404391821 2    381920 2      C-13-H3C(O)CH3
  534880.4998  0.0037 -3.9473 3  389.2526316  595161404391921 4    381820 4      C-13-H3C(O)CH3
  534880.6405  0.0037 -3.9473 3  389.2526316  595161404391921 3    381820 3      C-13-H3C(O)CH3
  534885.3412  0.0030 -3.6464 3  389.3065632  595161404391921 0    381820 0      C-13-H3C(O)CH3
  534887.8991  0.0736 -6.3000 3 1017.2626936  595161404584811 2    5749 9 2      C-13-H3C(O)CH3
  534889.3225  0.0038 -3.6464 3  389.2778632  595161404391921 2    381820 2      C-13-H3C(O)CH3
  534896.9420  0.0598 -6.2992 3 1017.2579936  595161404584810 0    5749 8 0      C-13-H3C(O)CH3
  534896.9420  0.0598 -6.2992 3 1017.2579936  595161404584811 0    5749 9 0      C-13-H3C(O)CH3
  534916.0998  0.0357 -5.1624 3  623.5969776  595161404482821 2    472918 2      C-13-H3C(O)CH3
  534938.6473  0.0681 -6.2997 3 1017.2837936  595161404584810 1    5749 8 1      C-13-H3C(O)CH3
  534968.9911  0.0820 -5.8890 3 1140.3345C08  595161404751363 1    751264 1      C-13-H3C(O)CH3
  534968.9911  0.0820 -5.8890 3 1140.3345C08  595161404751263 1    751164 1      C-13-H3C(O)CH3
  534968.9911  0.0820 -5.4013 3 1140.3345C08  595161404751263 1    751264 1      C-13-H3C(O)CH3
  534968.9911  0.0820 -5.4013 3 1140.3345C08  595161404751363 1    751164 1      C-13-H3C(O)CH3
  534969.1338  0.0821 -5.5007 3 1140.3343C08  595161404751263 2    751164 2      C-13-H3C(O)CH3
  534969.1338  0.0821 -5.6773 3 1140.3343C08  595161404751363 2    751164 2      C-13-H3C(O)CH3
  534969.1338  0.0821 -5.5007 3 1140.3343C08  595161404751363 2    751264 2      C-13-H3C(O)CH3
  534969.1338  0.0821 -5.6773 3 1140.3343C08  595161404751263 2    751264 2      C-13-H3C(O)CH3
  535007.5070  0.0039 -3.6105 3  401.3961648  595161404401723 1    391822 1      C-13-H3C(O)CH3
  535007.7006  0.0039 -3.6105 3  401.3961648  595161404401823 1    391722 1      C-13-H3C(O)CH3
  535011.1588  0.0039 -3.9115 3  401.3673324  595161404401723 4    391822 4      C-13-H3C(O)CH3
  535011.2373  0.0039 -3.9115 3  401.3673324  595161404401723 3    391822 3      C-13-H3C(O)CH3
  535011.3681  0.0039 -3.9115 3  401.3673324  595161404401823 4    391722 4      C-13-H3C(O)CH3
  535011.4478  0.0039 -3.9115 3  401.3673324  595161404401823 3    391722 3      C-13-H3C(O)CH3
  535011.9585  0.0032 -3.6106 3  401.4223648  595161404401723 0    391822 0      C-13-H3C(O)CH3
  535012.1449  0.0032 -3.6106 3  401.4223648  595161404401823 0    391722 0      C-13-H3C(O)CH3
  535015.7005  0.0040 -3.6106 3  401.3936648  595161404401723 2    391822 2      C-13-H3C(O)CH3
  535015.9031  0.0040 -3.6106 3  401.3936648  595161404401823 2    391722 2      C-13-H3C(O)CH3
  535049.4697  0.0354 -5.4606 3  623.5816388  595161404482821 4    472918 4      C-13-H3C(O)CH3
  535099.6111  0.0398 -5.4596 3  623.5801388  595161404482821 3    472918 3      C-13-H3C(O)CH3
  535117.1311  0.0702 -5.5879 3 1140.3202604  595161404751263 3    751264 3      C-13-H3C(O)CH3
  535117.1311  0.0702 -5.5879 3 1140.3202604  595161404751363 3    751164 3      C-13-H3C(O)CH3
  535117.3381  0.0702 -5.6172 3 1140.3202604  595161404751263 4    751164 4      C-13-H3C(O)CH3
  535117.3381  0.0702 -5.6172 3 1140.3202604  595161404751363 4    751264 4      C-13-H3C(O)CH3
  535173.5364  0.0686 -6.2997 3 1017.2796936  595161404584810 2    5749 8 2      C-13-H3C(O)CH3
  535268.8767  0.0705 -5.3359 3  581.3560372  595161404462918 4    453015 4      C-13-H3C(O)CH3
  535297.7611  0.0036 -3.9980 3  376.4397308  595161404381919 3    372018 3      C-13-H3C(O)CH3
  535297.8887  0.0036 -3.9980 3  376.4397308  595161404381919 4    372018 4      C-13-H3C(O)CH3
  535301.0569  0.0035 -3.6969 3  376.4683616  595161404381919 1    372018 1      C-13-H3C(O)CH3
  535316.2770  0.0037 -3.6971 3  376.4635616  595161404381919 2    372018 2      C-13-H3C(O)CH3
  535317.9266  0.0559 -5.4095 3 1095.2554B92  595161404741263 0    741164 0      C-13-H3C(O)CH3
  535317.9266  0.0559 -5.6730 3 1095.2554B92  595161404741263 0    741064 0      C-13-H3C(O)CH3
  535317.9266  0.0559 -5.6730 3 1095.2554B92  595161404741163 0    741164 0      C-13-H3C(O)CH3
  535317.9266  0.0559 -5.4095 3 1095.2554B92  595161404741163 0    741064 0      C-13-H3C(O)CH3
  535319.4171  0.0030 -3.6970 3  376.4921616  595161404381919 0    372018 0      C-13-H3C(O)CH3
  535426.8580  0.1667 -6.3880 3 1814.3447E32  595161404892564 1    892465 1      C-13-H3C(O)CH3
  535426.8580  0.1667 -6.4180 3 1814.3447E32  595161404892664 1    892565 1      C-13-H3C(O)CH3
  535433.5141  0.1659 -6.3896 3 1814.3485E32  595161404892564 2    892565 2      C-13-H3C(O)CH3
  535433.5141  0.1659 -6.4125 3 1814.3485E32  595161404892664 2    892465 2      C-13-H3C(O)CH3
  535461.9199  0.0637 -5.4442 3 1095.2354B92  595161404741263 2    741164 2      C-13-H3C(O)CH3
  535461.9199  0.0637 -5.6150 3 1095.2354B92  595161404741163 2    741164 2      C-13-H3C(O)CH3
  535461.9199  0.0637 -5.6150 3 1095.2354B92  595161404741263 2    741064 2      C-13-H3C(O)CH3
  535461.9199  0.0637 -5.4442 3 1095.2354B92  595161404741163 2    741064 2      C-13-H3C(O)CH3
  535462.3154  0.0641 -5.2298 3 1095.2355B92  595161404741263 1    741064 1      C-13-H3C(O)CH3
  535462.3154  0.0641 -5.2298 3 1095.2355B92  595161404741163 1    741164 1      C-13-H3C(O)CH3
  535480.8858  0.1866 -6.3828 3 1814.3285E32  595161404892664 0    892565 0      C-13-H3C(O)CH3
  535480.8858  0.1866 -6.3828 3 1814.3285E32  595161404892564 0    892465 0      C-13-H3C(O)CH3
  535517.6593  0.0041 -3.5827 3  412.8706664  595161404411625 1    401724 1      C-13-H3C(O)CH3
  535517.6618  0.0041 -3.5827 3  412.8706664  595161404411725 1    401624 1      C-13-H3C(O)CH3
  535520.1845  0.0033 -3.5828 3  412.8975664  595161404411625 0    401724 0      C-13-H3C(O)CH3
  535520.1868  0.0033 -3.5828 3  412.8975664  595161404411725 0    401624 0      C-13-H3C(O)CH3
  535520.8383  0.0040 -3.8837 3  412.8415332  595161404411625 4    401724 4      C-13-H3C(O)CH3
  535520.8411  0.0040 -3.8837 3  412.8415332  595161404411725 4    401624 4      C-13-H3C(O)CH3
  535520.9018  0.0040 -3.8837 3  412.8415332  595161404411625 3    401724 3      C-13-H3C(O)CH3
  535520.9046  0.0040 -3.8837 3  412.8415332  595161404411725 3    401624 3      C-13-H3C(O)CH3
  535523.4271  0.0041 -3.5827 3  412.8686664  595161404411625 2    401724 2      C-13-H3C(O)CH3
  535523.4297  0.0041 -3.5827 3  412.8686664  595161404411725 2    401624 2      C-13-H3C(O)CH3
  535527.5505  0.1281 -5.8513 3  816.0671888  595161404553125 0    543222 0      C-13-H3C(O)CH3
  535527.7696  0.0681 -6.1962 3  714.1769808  595161404503615 0    503318 0      C-13-H3C(O)CH3
  535606.4460  0.0634 -5.5397 3 1095.2154596  595161404741263 3    741064 3      C-13-H3C(O)CH3
  535606.4460  0.0634 -5.5397 3 1095.2154596  595161404741163 3    741164 3      C-13-H3C(O)CH3
  535606.6056  0.0634 -5.5525 3 1095.2154596  595161404741163 4    741064 4      C-13-H3C(O)CH3
  535606.6056  0.0634 -5.5525 3 1095.2154596  595161404741263 4    741164 4      C-13-H3C(O)CH3
  535618.0340  0.0672 -6.2677 3  714.1828808  595161404503615 1    503318 1      C-13-H3C(O)CH3
  535711.0610  0.0035 -3.6961 3  376.4577616  595161404382019 1    371918 1      C-13-H3C(O)CH3
  535721.2881  0.0035 -3.9972 3  376.4287308  595161404382019 4    371918 4      C-13-H3C(O)CH3
  535721.9740  0.0036 -3.9972 3  376.4287308  595161404382019 3    371918 3      C-13-H3C(O)CH3
  535727.5643  0.0030 -3.6962 3  376.4815616  595161404382019 0    371918 0      C-13-H3C(O)CH3
  535738.4573  0.0036 -3.6963 3  376.4526616  595161404382019 2    371918 2      C-13-H3C(O)CH3
  535785.9076  0.0031 -3.7384 3  478.2856404 -59516140450 744 3    49 743 3      C-13-H3C(O)CH3
  535785.9076  0.0031 -3.7291 3  478.2856404 -59516140450 644 4    49 643 4      C-13-H3C(O)CH3
  535785.9076  0.0031 -3.7384 3  478.2856404 -59516140450 644 3    49 643 3      C-13-H3C(O)CH3
  535785.9076  0.0031 -5.0996 3  478.2856404 -59516140450 644 3    49 743 3      C-13-H3C(O)CH3
  535785.9076  0.0031 -5.3961 3  478.2856404 -59516140450 744 4    49 643 4      C-13-H3C(O)CH3
  535785.9076  0.0031 -3.7291 3  478.2856404 -59516140450 744 4    49 743 4      C-13-H3C(O)CH3
  535785.9076  0.0031 -5.0996 3  478.2856404 -59516140450 744 3    49 643 3      C-13-H3C(O)CH3
  535785.9076  0.0031 -5.3961 3  478.2856404 -59516140450 644 4    49 743 4      C-13-H3C(O)CH3
  535813.3787  0.0437 -5.4188 3 1050.7421B76  595161404731163 0    73 964 0      C-13-H3C(O)CH3
  535813.3787  0.0437 -5.5223 3 1050.7421B76  595161404731063 0    73 964 0      C-13-H3C(O)CH3
  535813.3787  0.0437 -5.5223 3 1050.7421B76  595161404731163 0    731064 0      C-13-H3C(O)CH3
  535813.3787  0.0437 -5.4188 3 1050.7421B76  595161404731063 0    731064 0      C-13-H3C(O)CH3
  535813.9016  0.0041 -3.8732 3  478.3055808 -59516140450 744 1    49 743 1      C-13-H3C(O)CH3
  535813.9016  0.0040 -4.8213 3  478.3050808 -59516140450 744 2    49 743 2      C-13-H3C(O)CH3
  535813.9016  0.0041 -3.6068 3  478.3055808 -59516140450 744 1    49 643 1      C-13-H3C(O)CH3
  535813.9016  0.0041 -3.6068 3  478.3055808 -59516140450 644 1    49 743 1      C-13-H3C(O)CH3
  535813.9016  0.0040 -3.4364 3  478.3050808 -59516140450 644 2    49 743 2      C-13-H3C(O)CH3
  535813.9016  0.0040 -3.4364 3  478.3050808 -59516140450 744 2    49 643 2      C-13-H3C(O)CH3
  535813.9016  0.0040 -4.8213 3  478.3050808 -59516140450 644 2    49 643 2      C-13-H3C(O)CH3
  535813.9016  0.0041 -3.8732 3  478.3055808 -59516140450 644 1    49 643 1      C-13-H3C(O)CH3
  535820.7260  0.0041 -3.5239 3  231.1472228  5951614042824 4 4    2723 4 4      C-13-H3C(O)CH3
  535841.7845  0.0030 -3.4201 3  478.3249808 -59516140450 744 0    49 643 0      C-13-H3C(O)CH3
  535841.7845  0.0030 -3.4201 3  478.3249808 -59516140450 644 0    49 743 0      C-13-H3C(O)CH3
  535841.7845  0.0030 -5.9580 3  478.3249808 -59516140450 744 0    49 743 0      C-13-H3C(O)CH3
  535841.7845  0.0030 -5.9580 3  478.3249808 -59516140450 644 0    49 643 0      C-13-H3C(O)CH3
  535906.7966  0.0544 -4.9486 3  581.3432744  595161404462918 2    453015 2      C-13-H3C(O)CH3
  535924.6236  0.0742 -6.2460 3  714.1849808  595161404503615 2    503318 2      C-13-H3C(O)CH3
  535943.2278  0.0530 -5.4766 3 1050.7169B76  595161404731163 2    731064 2      C-13-H3C(O)CH3
  535943.2278  0.0530 -5.4580 3 1050.7169B76  595161404731063 2    731064 2      C-13-H3C(O)CH3
  535943.2278  0.0530 -5.4766 3 1050.7169B76  595161404731063 2    73 964 2      C-13-H3C(O)CH3
  535943.2278  0.0530 -5.4580 3 1050.7169B76  595161404731163 2    73 964 2      C-13-H3C(O)CH3
  535943.8203  0.0540 -5.9323 3 1050.7170B76  595161404731063 1    73 964 1      C-13-H3C(O)CH3
  535943.8203  0.0540 -5.9323 3 1050.7170B76  595161404731163 1    731064 1      C-13-H3C(O)CH3
  535943.8203  0.0540 -5.2478 3 1050.7170B76  595161404731063 1    731064 1      C-13-H3C(O)CH3
  535943.8203  0.0540 -5.2478 3 1050.7170B76  595161404731163 1    73 964 1      C-13-H3C(O)CH3
  535967.3568  0.0034 -3.2225 3  231.1695456 -5951614042824 4 1    2723 4 1      C-13-H3C(O)CH3
  535994.6364  0.0038 -3.5236 3  231.1162228  5951614042824 5 3    2723 5 3      C-13-H3C(O)CH3
  535995.0134  0.0035 -3.2225 3  231.1862456 -5951614042824 4 2    2723 4 2      C-13-H3C(O)CH3
  536059.3250  0.0039 -3.5234 3  231.1205228  5951614042824 4 3    2723 4 3      C-13-H3C(O)CH3
  536073.7839  0.0572 -5.4845 3 1050.6918588  595161404731163 3    73 964 3      C-13-H3C(O)CH3
  536073.7839  0.0572 -5.4845 3 1050.6918588  595161404731063 3    731064 3      C-13-H3C(O)CH3
  536073.8659  0.0572 -5.4755 3 1050.6917588  595161404731163 4    73 964 4      C-13-H3C(O)CH3
  536073.8659  0.0572 -5.4755 3 1050.6917588  595161404731063 4    731064 4      C-13-H3C(O)CH3
  536128.2752  0.0416 -4.6719 3  433.9310324  595161404402416 3    392515 3      C-13-H3C(O)CH3
  536141.7185  0.0029 -3.2221 3  231.2084456 -5951614042824 4 0    2723 5 0      C-13-H3C(O)CH3
  536141.7185  0.0029 -3.2221 3  231.2084456 -5951614042824 5 0    2723 4 0      C-13-H3C(O)CH3
  536150.1493  0.1609 -6.3351 3 1761.1849E16  595161404882464 1    882365 1      C-13-H3C(O)CH3
  536150.1493  0.1609 -6.3351 3 1761.1849E16  595161404882564 1    882465 1      C-13-H3C(O)CH3
  536156.3491  0.0430 -5.1415 3  581.3300372  595161404462918 3    453015 3      C-13-H3C(O)CH3
  536158.4161  0.1596 -6.3619 3 1761.1883E16  595161404882464 2    882365 2      C-13-H3C(O)CH3
  536158.4161  0.1596 -6.3619 3 1761.1883E16  595161404882564 2    882465 2      C-13-H3C(O)CH3
  536168.3132  0.0031 -3.2222 3  231.1552456 -5951614042824 5 2    2723 5 2      C-13-H3C(O)CH3
  536183.9134  0.0393 -4.6743 3  433.9293324  595161404402416 4    392515 4      C-13-H3C(O)CH3
  536191.2458  0.1168 -5.8458 3  816.0460888  595161404553125 1    543222 1      C-13-H3C(O)CH3
  536196.1865  0.1746 -6.2933 3 1761.1664E16  595161404882464 0    882465 0      C-13-H3C(O)CH3
  536196.1865  0.1746 -6.2874 3 1761.1664E16  595161404882564 0    882365 0      C-13-H3C(O)CH3
  536205.1018  0.0031 -3.2220 3  231.1428456 -5951614042824 5 1    2723 5 1      C-13-H3C(O)CH3
  536227.7169  0.0383 -4.3717 3  433.9488648  595161404402416 2    392515 2      C-13-H3C(O)CH3
  536229.2882  0.0141 -5.5993 3  116.8612172  5951614042116 6 4    2013 8 4      C-13-H3C(O)CH3
  536232.4058  0.0039 -3.5231 3  231.0896228  5951614042824 5 4    2723 5 4      C-13-H3C(O)CH3
  536235.8845  0.0042 -3.5599 3  423.7386680  595161404421627 1    411526 1      C-13-H3C(O)CH3
  536235.8845  0.0042 -3.5599 3  423.7386680  595161404421527 1    411626 1      C-13-H3C(O)CH3
  536237.9191  0.0041 -3.8609 3  423.7093340  595161404421527 4    411626 4      C-13-H3C(O)CH3
  536237.9192  0.0041 -3.8609 3  423.7093340  595161404421627 4    411526 4      C-13-H3C(O)CH3
  536237.9768  0.0041 -3.8609 3  423.7094340  595161404421627 3    411526 3      C-13-H3C(O)CH3
  536237.9768  0.0041 -3.8609 3  423.7094340  595161404421527 3    411626 3      C-13-H3C(O)CH3
  536238.0217  0.0033 -3.5600 3  423.7663680  595161404421627 0    411526 0      C-13-H3C(O)CH3
  536238.0217  0.0033 -3.5600 3  423.7663680  595161404421527 0    411626 0      C-13-H3C(O)CH3
  536240.1092  0.0043 -3.5599 3  423.7370680  595161404421527 2    411626 2      C-13-H3C(O)CH3
  536240.1093  0.0043 -3.5599 3  423.7370680  595161404421627 2    411526 2      C-13-H3C(O)CH3
  536311.2015  0.0362 -6.2751 3 1006.8088B60  595161404721063 0    72 864 0      C-13-H3C(O)CH3
  536311.2015  0.0362 -5.1492 3 1006.8088B60  595161404721063 0    72 964 0      C-13-H3C(O)CH3
  536311.2015  0.0362 -5.1492 3 1006.8088B60  59516140472 963 0    72 864 0      C-13-H3C(O)CH3
  536311.2015  0.0362 -6.2751 3 1006.8088B60  59516140472 963 0    72 964 0      C-13-H3C(O)CH3
  536318.1106  0.0310 -4.8973 3  581.3294744  595161404462918 1    453015 1      C-13-H3C(O)CH3
  536329.3966  0.1948 -5.8446 3  816.0409888  595161404553125 2    543222 2      C-13-H3C(O)CH3
  536365.2673  0.2562 -6.3824 3  980.0713952  595161404594019 0    593722 0      C-13-H3C(O)CH3
  536386.9374  0.0560 -6.1059 3  971.5689920  595161404574612 1    564710 1      C-13-H3C(O)CH3
  536414.2733  0.0530 -5.1176 3 1006.7795B60  59516140472 963 2    72 964 2      C-13-H3C(O)CH3
  536414.2733  0.0530 -5.1176 3 1006.7795B60  595161404721063 2    72 864 2      C-13-H3C(O)CH3
  536414.7247  0.0541 -5.3054 3 1006.7796B60  595161404721063 1    72 864 1      C-13-H3C(O)CH3
  536414.7247  0.0541 -5.5722 3 1006.7796B60  59516140472 963 1    72 864 1      C-13-H3C(O)CH3
  536414.7247  0.0541 -5.5722 3 1006.7796B60  595161404721063 1    72 964 1      C-13-H3C(O)CH3
  536414.7247  0.0541 -5.3054 3 1006.7796B60  59516140472 963 1    72 964 1      C-13-H3C(O)CH3
  536470.5504  0.0459 -6.1055 3  971.5481920  595161404574611 0    564710 0      C-13-H3C(O)CH3
  536470.5504  0.0459 -6.1055 3  971.5481920  595161404574612 0    5647 9 0      C-13-H3C(O)CH3
  536504.9418  0.0748 -6.4075 3  971.5780460  595161404574612 4    564710 4      C-13-H3C(O)CH3
  536517.8504  0.0514 -5.4185 3 1006.7503580  59516140472 963 4    72 964 4      C-13-H3C(O)CH3
  536517.8504  0.0514 -5.4185 3 1006.7503580  595161404721063 4    72 864 4      C-13-H3C(O)CH3
  536517.8799  0.0514 -5.4426 3 1006.7503580  595161404721063 3    72 964 3      C-13-H3C(O)CH3
  536517.8799  0.0514 -5.4426 3 1006.7503580  59516140472 963 3    72 864 3      C-13-H3C(O)CH3
  536587.1514  0.0586 -6.1061 3  971.5573920  595161404574612 2    564710 2      C-13-H3C(O)CH3
  536592.5614  0.0580 -6.1059 3  971.5729920  595161404574611 1    5647 9 1      C-13-H3C(O)CH3
  536667.2124  0.0204 -4.8157 3  581.3245744  595161404462918 0    453015 0      C-13-H3C(O)CH3
  536692.9736  0.0713 -6.4071 3  971.5958460  595161404574611 3    5647 9 3      C-13-H3C(O)CH3
  536694.4183  0.1440 -6.2069 3  974.1650968  595161404603327 1    593624 1      C-13-H3C(O)CH3
  536710.8133  0.0745 -6.4076 3  971.5820460  595161404574612 3    564710 3      C-13-H3C(O)CH3
  536729.8929  0.0232 -4.3684 3  433.9487648  595161404402416 1    392515 1      C-13-H3C(O)CH3
  536731.7097  0.0380 -5.2845 3  738.7339824  595161404513616 2    503714 2      C-13-H3C(O)CH3
  536742.3497  0.1371 -6.2064 3  974.1652968  595161404603327 2    593624 2      C-13-H3C(O)CH3
  536770.8471  0.0403 -5.5855 3  738.7439412  595161404513616 4    503714 4      C-13-H3C(O)CH3
  536775.4919  0.0588 -6.1058 3  971.5751920  595161404574611 2    5647 9 2      C-13-H3C(O)CH3
  536808.4080  0.0235 -4.3680 3  433.9672648  595161404402416 0    392515 0      C-13-H3C(O)CH3
  536815.4366  0.0339 -5.1001 3  963.4556B44  59516140471 863 0    71 764 0      C-13-H3C(O)CH3
  536815.4366  0.0339 -6.3403 3  963.4556B44  59516140471 863 0    71 864 0      C-13-H3C(O)CH3
  536815.4366  0.0339 -5.1001 3  963.4556B44  59516140471 963 0    71 864 0      C-13-H3C(O)CH3
  536815.4366  0.0339 -6.3403 3  963.4556B44  59516140471 963 0    71 764 0      C-13-H3C(O)CH3
  536828.1444  0.0059 -4.9220 3   98.7326180  59516140422 616 3    21 517 3      C-13-H3C(O)CH3
  536828.1450  0.0059 -4.9220 3   98.7326180  59516140422 716 3    21 417 3      C-13-H3C(O)CH3
  536828.2328  0.0076 -4.9220 3   98.7326180  59516140422 616 4    21 517 4      C-13-H3C(O)CH3
  536828.2334  0.0076 -4.9220 3   98.7326180  59516140422 716 4    21 417 4      C-13-H3C(O)CH3
  536828.3685  0.0263 -4.3837 3  388.3919308  595161404382216 3    372315 3      C-13-H3C(O)CH3
  536829.6135  0.0382 -5.2847 3  738.7092824  595161404513616 0    503713 0      C-13-H3C(O)CH3
  536837.1068  0.0382 -5.2846 3  738.7092824  595161404513615 0    503714 0      C-13-H3C(O)CH3
  536838.0672  0.0303 -6.1096 3  236.0225236  5951614042922 8 3    2821 7 3      C-13-H3C(O)CH3
  536843.2726  0.0236 -4.0830 3  388.4124616  595161404382216 2    372315 2      C-13-H3C(O)CH3
  536844.8036  0.0244 -4.3837 3  388.3916308  595161404382216 4    372315 4      C-13-H3C(O)CH3
  536846.7339  0.2021 -6.3566 3 1009.2412968  595161404604021 0    603724 0      C-13-H3C(O)CH3
  536852.0296  0.1649 -6.3977 3 1708.5937E00  595161404872464 1    872265 1      C-13-H3C(O)CH3
  536852.0296  0.1649 -6.3977 3 1708.5937E00  595161404872364 1    872365 1      C-13-H3C(O)CH3
  536861.3951  0.1627 -6.1947 3 1708.5965E00  595161404872364 2    872265 2      C-13-H3C(O)CH3
  536861.3951  0.1627 -6.1947 3 1708.5965E00  595161404872464 2    872365 2      C-13-H3C(O)CH3
  536871.6254  0.0401 -5.2847 3  738.7193824  595161404513616 1    503714 1      C-13-H3C(O)CH3
  536876.3309  0.0598 -5.0834 3  963.4239B44  59516140471 863 2    71 864 2      C-13-H3C(O)CH3
  536876.3309  0.0598 -5.0834 3  963.4239B44  59516140471 963 2    71 764 2      C-13-H3C(O)CH3
  536876.3466  0.0607 -5.0785 3  963.4240B44  59516140471 863 1    71 864 1      C-13-H3C(O)CH3
  536876.3466  0.0607 -5.0785 3  963.4240B44  59516140471 963 1    71 764 1      C-13-H3C(O)CH3
  536887.4077  0.1693 -6.1943 3 1708.5734E00  595161404872364 0    872365 0      C-13-H3C(O)CH3
  536887.4077  0.1693 -6.1943 3 1708.5734E00  595161404872464 0    872265 0      C-13-H3C(O)CH3
  536894.0000  0.0030 -3.7121 3  483.5669412  59516140451 646 4    50 645 4      C-13-H3C(O)CH3
  536894.0000  0.0030 -5.6422 3  483.5669412  59516140451 546 4    50 645 4      C-13-H3C(O)CH3
  536894.0112  0.0030 -5.1697 3  483.5668412 -59516140451 646 3    50 645 3      C-13-H3C(O)CH3
  536894.0112  0.0030 -3.7121 3  483.5669412 -59516140451 546 4    50 545 4      C-13-H3C(O)CH3
  536894.0112  0.0030 -3.7223 3  483.5668412 -59516140451 546 3    50 645 3      C-13-H3C(O)CH3
  536894.0112  0.0030 -5.6422 3  483.5669412 -59516140451 646 4    50 545 4      C-13-H3C(O)CH3
  536894.0456  0.0030 -5.1697 3  483.5668412  59516140451 546 3    50 545 3      C-13-H3C(O)CH3
  536894.0456  0.0030 -3.7223 3  483.5668412  59516140451 646 3    50 545 3      C-13-H3C(O)CH3
  536894.5474  0.0369 -5.5858 3  738.7651412  595161404513616 3    503713 3      C-13-H3C(O)CH3
  536898.7200  0.0781 -6.4072 3  971.5998460  595161404574611 4    5647 9 4      C-13-H3C(O)CH3
  536914.0857  0.1547 -6.2071 3  974.1523968  595161404603327 0    593624 0      C-13-H3C(O)CH3
  536924.3259  0.0040 -5.1421 3  483.5813824  59516140451 546 1    50 545 1      C-13-H3C(O)CH3
  536924.3259  0.0040 -5.1421 3  483.5813824  59516140451 646 1    50 645 1      C-13-H3C(O)CH3
  536924.5430  0.0040 -3.4140 3  483.5813824 -59516140451 646 1    50 545 1      C-13-H3C(O)CH3
  536924.5430  0.0040 -3.4140 3  483.5813824 -59516140451 546 1    50 645 1      C-13-H3C(O)CH3
  536924.6625  0.0038 -3.4063 3  483.5809824  59516140451 546 2    50 545 2      C-13-H3C(O)CH3
  536924.6625  0.0038 -3.4063 3  483.5809824  59516140451 646 2    50 645 2      C-13-H3C(O)CH3
  536937.1095  0.0461 -5.4538 3  963.3922572  59516140471 863 4    71 864 4      C-13-H3C(O)CH3
  536937.1095  0.0461 -6.1641 3  963.3922572  59516140471 863 4    71 764 4      C-13-H3C(O)CH3
  536937.1095  0.0461 -5.4538 3  963.3922572  59516140471 963 4    71 764 4      C-13-H3C(O)CH3
  536937.1095  0.0461 -6.1641 3  963.3922572  59516140471 963 4    71 864 4      C-13-H3C(O)CH3
  536937.2830  0.0461 -5.4083 3  963.3923572  59516140471 963 3    71 764 3      C-13-H3C(O)CH3
  536937.2830  0.0461 -5.4083 3  963.3923572  59516140471 863 3    71 864 3      C-13-H3C(O)CH3
  536946.8605  0.0081 -6.4200 3  244.0558520  595161404321220 2    32 923 2      C-13-H3C(O)CH3
  536946.8671  0.0081 -6.4200 3  244.0558520  595161404321320 2    321023 2      C-13-H3C(O)CH3
  536949.9204  0.0040 -3.6428 3  236.0450236  5951614042922 7 4    2821 7 4      C-13-H3C(O)CH3
  536954.8986  0.0030 -4.2214 3  483.5953824  59516140451 546 0    50 645 0      C-13-H3C(O)CH3
  536954.8986  0.0030 -3.4781 3  483.5953824  59516140451 646 0    50 645 0      C-13-H3C(O)CH3
  536954.9074  0.0030 -4.2214 3  483.5953824 -59516140451 646 0    50 545 0      C-13-H3C(O)CH3
  536954.9074  0.0030 -3.4781 3  483.5953824 -59516140451 546 0    50 545 0      C-13-H3C(O)CH3
  536972.7044  0.0082 -6.4181 3  244.0570520  595161404321220 1    32 923 1      C-13-H3C(O)CH3
  536972.7106  0.0082 -6.4181 3  244.0570520  595161404321320 1    321023 1      C-13-H3C(O)CH3
  536984.5265  0.1850 -6.1402 3  816.0200444  595161404553125 4    543222 4      C-13-H3C(O)CH3
  536997.1746  0.0379 -5.2846 3  738.7404824  595161404513615 1    503713 1      C-13-H3C(O)CH3
  536999.7323  0.1870 -6.1401 3  816.0195444  595161404553125 3    543222 3      C-13-H3C(O)CH3
  537059.2814  0.0348 -5.2845 3  738.7526824  595161404513615 2    503713 2      C-13-H3C(O)CH3
  537067.6205  0.0033 -3.3416 3  236.0568472 -5951614042922 7 1    2821 7 1      C-13-H3C(O)CH3
  537080.0589  0.0044 -3.5409 3  434.0207696  595161404431529 1    421428 1      C-13-H3C(O)CH3
  537080.0589  0.0044 -6.3480 3  434.0207696  595161404431529 1    421528 1      C-13-H3C(O)CH3
  537080.0589  0.0044 -3.5405 3  434.0207696  595161404431429 1    421528 1      C-13-H3C(O)CH3
  537080.3386  0.0041 -3.8417 3  433.9912348  595161404431429 4    421528 4      C-13-H3C(O)CH3
  537080.3386  0.0041 -3.8415 3  433.9912348  595161404431529 4    421428 4      C-13-H3C(O)CH3
  537080.3948  0.0042 -3.8417 3  433.9913348  595161404431429 3    421528 3      C-13-H3C(O)CH3
  537080.3948  0.0042 -3.8417 3  433.9913348  595161404431529 3    421428 3      C-13-H3C(O)CH3
  537082.9091  0.0034 -3.5411 3  434.0489696  595161404431529 0    421428 0      C-13-H3C(O)CH3
  537082.9091  0.0034 -6.4020 3  434.0489696  595161404431529 0    421528 0      C-13-H3C(O)CH3
  537082.9091  0.0034 -3.5405 3  434.0489696  595161404431429 0    421528 0      C-13-H3C(O)CH3
  537083.2391  0.0044 -3.5418 3  434.0195696  595161404431529 2    421428 2      C-13-H3C(O)CH3
  537083.2391  0.0044 -6.0642 3  434.0195696  595161404431529 2    421528 2      C-13-H3C(O)CH3
  537083.2391  0.0044 -3.5409 3  434.0195696  595161404431429 2    421528 2      C-13-H3C(O)CH3
  537083.6636  0.0038 -3.6443 3  236.0225236  5951614042922 7 3    2821 7 3      C-13-H3C(O)CH3
  537097.1008  0.0330 -5.5859 3  738.7626412  595161404513615 3    503714 3      C-13-H3C(O)CH3
  537130.5603  0.0035 -3.3414 3  236.0634472 -5951614042922 7 2    2821 7 2      C-13-H3C(O)CH3
  537133.8609  0.0037 -3.6439 3  236.0126236  5951614042922 8 3    2821 8 3      C-13-H3C(O)CH3
  537179.9023  0.0075 -6.4179 3  244.0680520  595161404321220 0    32 923 0      C-13-H3C(O)CH3
  537179.9084  0.0075 -6.4179 3  244.0680520  595161404321320 0    321023 0      C-13-H3C(O)CH3
  537205.2870  0.0178 -4.0804 3  388.4156616  595161404382216 1    372315 1      C-13-H3C(O)CH3
  537217.9695  0.0164 -4.0807 3  388.4361616  595161404382216 0    372315 0      C-13-H3C(O)CH3
  537223.1606  0.0387 -5.5855 3  738.7837412  595161404513615 4    503713 4      C-13-H3C(O)CH3
  537225.6685  0.0064 -4.6200 3   98.6964360  59516140422 616 2    21 517 2      C-13-H3C(O)CH3
  537225.6691  0.0064 -4.6200 3   98.6964360  59516140422 716 2    21 417 2      C-13-H3C(O)CH3
  537231.5178  0.0029 -3.3409 3  236.0754472 -5951614042922 8 0    2821 7 0      C-13-H3C(O)CH3
  537236.3460  0.0063 -4.6202 3   98.6971360  59516140422 616 1    21 517 1      C-13-H3C(O)CH3
  537236.3466  0.0063 -4.6202 3   98.6971360  59516140422 716 1    21 417 1      C-13-H3C(O)CH3
  537244.0181  0.0343 -6.3695 3  581.2937372  595161404462918 3    453016 3      C-13-H3C(O)CH3
  537250.2609  0.0029 -3.3413 3  236.0245472 -5951614042922 8 1    2821 8 1      C-13-H3C(O)CH3
  537263.5613  0.0032 -3.3415 3  236.0409472 -5951614042922 8 2    2821 8 2      C-13-H3C(O)CH3
  537263.5613  0.0029 -3.3408 3  236.0746472 -5951614042922 7 0    2821 8 0      C-13-H3C(O)CH3
  537267.9322  0.0034 -3.6426 3  235.9902236  5951614042922 8 4    2821 8 4      C-13-H3C(O)CH3
  537316.5625  0.0087 -3.9125 3  206.2849456  595161404281711 2    271612 2      C-13-H3C(O)CH3
  537330.0189  0.0413 -5.3534 3  920.6189564  59516140470 863 4    70 764 4      C-13-H3C(O)CH3
  537330.0189  0.0413 -5.3472 3  920.6189564  59516140470 863 4    70 664 4      C-13-H3C(O)CH3
  537330.1066  0.0673 -5.1471 3  920.6508B28  59516140470 763 1    70 764 1      C-13-H3C(O)CH3
  537330.1066  0.0673 -5.7082 3  920.6508B28  59516140470 763 1    70 664 1      C-13-H3C(O)CH3
  537330.1066  0.0673 -5.1471 3  920.6508B28  59516140470 863 1    70 664 1      C-13-H3C(O)CH3
  537330.1066  0.0673 -5.7082 3  920.6508B28  59516140470 863 1    70 764 1      C-13-H3C(O)CH3
  537330.3600  0.0413 -5.4271 3  920.6190564  59516140470 763 3    70 764 3      C-13-H3C(O)CH3
  537330.3600  0.0413 -6.0950 3  920.6190564  59516140470 763 3    70 664 3      C-13-H3C(O)CH3
  537330.3600  0.0413 -5.4271 3  920.6190564  59516140470 863 3    70 664 3      C-13-H3C(O)CH3
  537330.3600  0.0413 -6.0950 3  920.6190564  59516140470 863 3    70 764 3      C-13-H3C(O)CH3
  537330.4632  0.0349 -5.0733 3  920.6824B28  59516140470 763 0    70 764 0      C-13-H3C(O)CH3
  537330.4632  0.0349 -6.1962 3  920.6824B28  59516140470 863 0    70 764 0      C-13-H3C(O)CH3
  537330.4632  0.0349 -6.1962 3  920.6824B28  59516140470 763 0    70 664 0      C-13-H3C(O)CH3
  537330.4632  0.0349 -5.0733 3  920.6824B28  59516140470 863 0    70 664 0      C-13-H3C(O)CH3
  537330.7298  0.0669 -5.1258 3  920.6506B28  59516140470 763 2    70 764 2      C-13-H3C(O)CH3
  537330.7298  0.0669 -5.1258 3  920.6506B28  59516140470 863 2    70 664 2      C-13-H3C(O)CH3
  537330.7298  0.0669 -5.7958 3  920.6506B28  59516140470 863 2    70 764 2      C-13-H3C(O)CH3
  537330.7298  0.0669 -5.7958 3  920.6506B28  59516140470 763 2    70 664 2      C-13-H3C(O)CH3
  537350.2974  0.1208 -6.2454 3  855.1294888  595161404553818 0    553521 0      C-13-H3C(O)CH3
  537379.4573  0.0300 -6.1090 3  236.0126236  5951614042922 7 3    2821 8 3      C-13-H3C(O)CH3
  537392.8210  0.0079 -3.9125 3  206.2979456  595161404281711 0    271612 0      C-13-H3C(O)CH3
  537407.1022  0.0336 -6.2911 3  564.6650712  595161404443410 2    443113 2      C-13-H3C(O)CH3
  537423.7609  0.0107 -5.3437 3  116.8546344  5951614042116 6 1    2013 8 1      C-13-H3C(O)CH3
  537453.9542  0.1760 -6.4412 3  944.9910476  595161404593326 3    583623 3      C-13-H3C(O)CH3
  537503.4002  0.0032 -5.7784 3  243.0742244  595161404302011 3    291911 3      C-13-H3C(O)CH3
  537504.5846  0.0035 -5.3313 3  243.0730244  595161404302011 4    291911 4      C-13-H3C(O)CH3
  537521.2827  0.1509 -6.4419 3  944.9888476  595161404593326 4    583623 4      C-13-H3C(O)CH3
  537530.4450  0.0111 -6.0243 3  437.4275664  595161404412021 0    411724 0      C-13-H3C(O)CH3
  537533.0673  0.1742 -6.1489 3 1656.5719D84  595161404862264 1    862165 1      C-13-H3C(O)CH3
  537533.0673  0.1742 -6.1489 3 1656.5719D84  595161404862364 1    862265 1      C-13-H3C(O)CH3
  537540.9737  0.0127 -4.2154 3  206.2768228  595161404281711 4    271612 4      C-13-H3C(O)CH3
  537543.0186  0.1712 -6.1791 3 1656.5742D84  595161404862264 2    862165 2      C-13-H3C(O)CH3
  537543.0186  0.1712 -6.1791 3 1656.5742D84  595161404862364 2    862265 2      C-13-H3C(O)CH3
  537544.0997  0.0032 -5.2323 3  243.0917488  595161404302011 1    291911 1      C-13-H3C(O)CH3
  537544.2839  0.0108 -4.2154 3  206.2769228  595161404281711 3    271612 3      C-13-H3C(O)CH3
  537547.5237  0.0111 -6.0243 3  437.4275664  595161404412121 0    411824 0      C-13-H3C(O)CH3
  537555.1613  0.1683 -6.2959 3 1656.5506D84  595161404862264 0    862165 0      C-13-H3C(O)CH3
  537555.1613  0.1683 -6.2959 3 1656.5506D84  595161404862364 0    862265 0      C-13-H3C(O)CH3
  537574.5809  0.0134 -6.0246 3  437.3991664  595161404412021 2    411724 2      C-13-H3C(O)CH3
  537588.5209  0.1188 -6.4700 3  855.1468888  595161404553818 1    553521 1      C-13-H3C(O)CH3
  537592.6666  0.0134 -6.0246 3  437.3991664  595161404412121 2    411824 2      C-13-H3C(O)CH3
  537611.0781  0.0340 -6.2918 3  564.6177712  595161404443411 1    443114 1      C-13-H3C(O)CH3
  537612.2475  0.0344 -6.2906 3  564.6468712  595161404443410 1    443113 1      C-13-H3C(O)CH3
  537613.4049  0.0121 -6.0235 3  437.4011664  595161404412021 1    411724 1      C-13-H3C(O)CH3
  537614.5952  0.0089 -3.9144 3  206.2899456  595161404281711 1    271612 1      C-13-H3C(O)CH3
  537615.7979  0.0322 -6.2926 3  564.6349712  595161404443410 0    443113 0      C-13-H3C(O)CH3
  537616.9660  0.0030 -6.4150 3  243.0925488  595161404302011 2    291911 2      C-13-H3C(O)CH3
  537630.9272  0.0122 -6.0235 3  437.4011664  595161404412121 1    411824 1      C-13-H3C(O)CH3
  537632.9952  0.0061 -4.6190 3   98.6609360  59516140422 616 0    21 517 0      C-13-H3C(O)CH3
  537632.9958  0.0061 -4.6190 3   98.6609360  59516140422 716 0    21 417 0      C-13-H3C(O)CH3
  537646.9934  0.0322 -6.2926 3  564.6338712  595161404443411 0    443114 0      C-13-H3C(O)CH3
  537657.7692  0.0140 -6.3247 3  437.3727332  595161404412021 3    411724 3      C-13-H3C(O)CH3
  537657.8785  0.0141 -6.3247 3  437.3726332  595161404412021 4    411724 4      C-13-H3C(O)CH3
  537674.6811  0.0297 -5.3934 3  581.2842744  595161404462918 2    453016 2      C-13-H3C(O)CH3
  537676.3311  0.0140 -6.3247 3  437.3727332  595161404412121 3    411824 3      C-13-H3C(O)CH3
  537676.3854  0.0140 -6.3247 3  437.3726332  595161404412121 4    411824 4      C-13-H3C(O)CH3
  537690.2950  0.0188 -5.9934 3  590.1515760  595161404472522 0    472225 0      C-13-H3C(O)CH3
  537694.7922  0.0371 -5.3193 3  878.4316556  59516140469 763 4    69 664 4      C-13-H3C(O)CH3
  537694.7922  0.0371 -5.3193 3  878.4316556  59516140469 663 4    69 564 4      C-13-H3C(O)CH3
  537695.3016  0.0370 -5.3292 3  878.4316556  59516140469 663 3    69 564 3      C-13-H3C(O)CH3
  537695.3016  0.0370 -5.3292 3  878.4316556  59516140469 763 3    69 664 3      C-13-H3C(O)CH3
  537701.3547  0.0141 -5.8018 3  116.8659172  5951614042116 6 3    2013 8 3      C-13-H3C(O)CH3
  537704.7881  0.0301 -5.9932 3  590.1335760  595161404472522 2    472225 2      C-13-H3C(O)CH3
  537730.6074  0.0221 -5.5821 3  581.2823744  595161404462918 1    453016 1      C-13-H3C(O)CH3
  537739.5314  0.1281 -6.4629 3  855.1481888  595161404553818 2    553521 2      C-13-H3C(O)CH3
  537752.0563  0.0200 -5.9926 3  590.1352760  595161404472522 1    472225 1      C-13-H3C(O)CH3
  537766.2194  0.0315 -6.2934 3  590.1171380  595161404472522 3    472225 3      C-13-H3C(O)CH3
  537766.9921  0.0318 -6.2934 3  590.1171380  595161404472522 4    472225 4      C-13-H3C(O)CH3
  537777.5297  0.0696 -5.0222 3  878.4604B12  59516140469 663 1    69 664 1      C-13-H3C(O)CH3
  537777.5297  0.0696 -5.0222 3  878.4604B12  59516140469 763 1    69 564 1      C-13-H3C(O)CH3
  537778.8490  0.0695 -5.0186 3  878.4602B12  59516140469 663 2    69 664 2      C-13-H3C(O)CH3
  537778.8490  0.0695 -5.0186 3  878.4602B12  59516140469 763 2    69 564 2      C-13-H3C(O)CH3
  537825.5247  0.0105 -5.3599 3  116.8539344  5951614042116 6 2    2013 8 2      C-13-H3C(O)CH3
  537860.9839  0.0359 -5.3017 3  878.4890B12  59516140469 663 0    69 664 0      C-13-H3C(O)CH3
  537860.9839  0.0359 -5.3364 3  878.4890B12  59516140469 763 0    69 664 0      C-13-H3C(O)CH3
  537860.9839  0.0359 -5.0182 3  878.4890B12  59516140469 763 0    69 564 0      C-13-H3C(O)CH3
  537877.5236  0.0337 -6.2943 3  564.6266712  595161404443411 2    443114 2      C-13-H3C(O)CH3
  537882.7972  0.3543 -6.4580 3 1045.6492984  595161404614120 0    613823 0      C-13-H3C(O)CH3
  537907.7238  0.1752 -6.1393 3  944.9733952  595161404593326 1    583623 1      C-13-H3C(O)CH3
  537908.5995  0.0399 -6.2276 3  637.0737760  595161404473512 2    473215 2      C-13-H3C(O)CH3
  537918.1899  0.0336 -5.5175 3  581.2676372  595161404462918 4    453016 4      C-13-H3C(O)CH3
  537919.7724  0.0447 -6.2260 3  637.0364760  595161404473512 0    473215 0      C-13-H3C(O)CH3
  537946.6343  0.2051 -6.1387 3  944.9734952  595161404593326 2    583623 2      C-13-H3C(O)CH3
  537953.3055  0.0091 -5.6204 3   75.8423172  59516140421 418 3    20 219 3      C-13-H3C(O)CH3
  537953.3055  0.0091 -6.3866 3   75.8423172  59516140421 418 3    20 119 3      C-13-H3C(O)CH3
  537953.3055  0.0091 -6.4067 3   75.8423172  59516140421 318 3    20 219 3      C-13-H3C(O)CH3
  537953.3055  0.0091 -5.6170 3   75.8423172  59516140421 318 3    20 119 3      C-13-H3C(O)CH3
  537953.7799  0.0109 -5.5554 3   75.8423172  59516140421 318 4    20 119 4      C-13-H3C(O)CH3
  537953.7799  0.0109 -5.5554 3   75.8423172  59516140421 418 4    20 219 4      C-13-H3C(O)CH3
  537985.8303  0.0451 -6.2291 3  637.0573760  595161404473512 1    473215 1      C-13-H3C(O)CH3
  538002.9971  0.0041 -4.8413 3  443.7004356  595161404441431 4    431330 4      C-13-H3C(O)CH3
  538002.9971  0.0041 -3.8683 3  443.7004356  595161404441431 4    431430 4      C-13-H3C(O)CH3
  538002.9971  0.0041 -3.8683 3  443.7004356  595161404441331 4    431330 4      C-13-H3C(O)CH3
  538002.9971  0.0041 -4.8413 3  443.7004356  595161404441331 4    431430 4      C-13-H3C(O)CH3
  538003.0542  0.0041 -4.3569 3  443.7005356  595161404441331 3    431330 3      C-13-H3C(O)CH3
  538003.0542  0.0041 -4.3569 3  443.7005356  595161404441431 3    431430 3      C-13-H3C(O)CH3
  538003.0542  0.0041 -3.9752 3  443.7005356  595161404441431 3    431330 3      C-13-H3C(O)CH3
  538003.0542  0.0041 -3.9752 3  443.7005356  595161404441331 3    431430 3      C-13-H3C(O)CH3
  538005.0079  0.0045 -3.6891 3  443.7301712 -595161404441431 1    431330 1      C-13-H3C(O)CH3
  538005.0079  0.0045 -3.7310 3  443.7301712 -595161404441331 1    431430 1      C-13-H3C(O)CH3
  538005.0079  0.0045 -3.9436 3  443.7301712 -595161404441331 1    431330 1      C-13-H3C(O)CH3
  538005.0079  0.0045 -4.0221 3  443.7301712 -595161404441431 1    431430 1      C-13-H3C(O)CH3
  538007.5372  0.0045 -3.5236 3  443.7291712 -595161404441431 2    431430 2      C-13-H3C(O)CH3
  538007.5372  0.0045 -3.5236 3  443.7291712 -595161404441331 2    431330 2      C-13-H3C(O)CH3
  538009.3506  0.0034 -3.5235 3  443.7587712 -595161404441331 0    431330 0      C-13-H3C(O)CH3
  538009.3506  0.0034 -3.6055 3  443.7587712 -595161404441431 0    431330 0      C-13-H3C(O)CH3
  538009.3506  0.0034 -5.3319 3  443.7587712 -595161404441331 0    431430 0      C-13-H3C(O)CH3
  538009.3506  0.0034 -4.0964 3  443.7587712 -595161404441431 0    431430 0      C-13-H3C(O)CH3
  538011.2316  0.0029 -3.7147 3  488.3100420  59516140452 548 4    51 447 4      C-13-H3C(O)CH3
  538011.2316  0.0029 -5.0278 3  488.3100420  59516140452 448 4    51 447 4      C-13-H3C(O)CH3
  538011.2616  0.0029 -4.9483 3  488.3099420  59516140452 548 3    51 547 3      C-13-H3C(O)CH3
  538011.2616  0.0029 -3.7190 3  488.3099420  59516140452 448 3    51 547 3      C-13-H3C(O)CH3
  538011.2984  0.0029 -3.7190 3  488.3099420 -59516140452 548 3    51 447 3      C-13-H3C(O)CH3
  538011.2984  0.0029 -4.9483 3  488.3099420 -59516140452 448 3    51 447 3      C-13-H3C(O)CH3
  538011.2984  0.0029 -3.7147 3  488.3100420 -59516140452 448 4    51 547 4      C-13-H3C(O)CH3
  538011.2984  0.0029 -5.0278 3  488.3100420 -59516140452 548 4    51 547 4      C-13-H3C(O)CH3
  538014.6548  0.0138 -5.5833 3  116.8659172  5951614042116 5 3    2013 8 3      C-13-H3C(O)CH3
  538029.4995  0.0345 -5.3261 3  836.8316548  59516140468 563 4    68 564 4      C-13-H3C(O)CH3
  538029.4995  0.0345 -5.3261 3  836.8316548  59516140468 663 4    68 464 4      C-13-H3C(O)CH3
  538030.1352  0.0343 -5.3348 3  836.8316548  59516140468 663 3    68 464 3      C-13-H3C(O)CH3
  538030.1352  0.0343 -5.3348 3  836.8316548  59516140468 563 3    68 564 3      C-13-H3C(O)CH3
  538042.8373  0.0039 -3.5282 3  488.3167840  59516140452 448 1    51 547 1      C-13-H3C(O)CH3
  538042.8373  0.0039 -3.9658 3  488.3167840  59516140452 548 1    51 547 1      C-13-H3C(O)CH3
  538042.9714  0.0039 -3.5282 3  488.3167840 -59516140452 548 1    51 447 1      C-13-H3C(O)CH3
  538042.9714  0.0038 -3.8971 3  488.3163840 -59516140452 548 2    51 547 2      C-13-H3C(O)CH3
  538042.9714  0.0039 -3.9658 3  488.3167840 -59516140452 448 1    51 447 1      C-13-H3C(O)CH3
  538042.9714  0.0038 -3.5562 3  488.3163840 -59516140452 448 2    51 547 2      C-13-H3C(O)CH3
  538043.0483  0.0038 -3.5562 3  488.3163840  59516140452 548 2    51 447 2      C-13-H3C(O)CH3
  538043.0483  0.0038 -3.8971 3  488.3163840  59516140452 448 2    51 447 2      C-13-H3C(O)CH3
  538070.9244  0.0562 -6.0548 3  731.9913840  595161404523023 2    522726 2      C-13-H3C(O)CH3
  538074.5717  0.0030 -4.7703 3  488.3230840  59516140452 548 0    51 547 0      C-13-H3C(O)CH3
  538074.5717  0.0030 -3.4116 3  488.3230840  59516140452 448 0    51 547 0      C-13-H3C(O)CH3
  538074.5726  0.0030 -4.7703 3  488.3230840 -59516140452 448 0    51 447 0      C-13-H3C(O)CH3
  538074.5726  0.0030 -3.4116 3  488.3230840 -59516140452 548 0    51 447 0      C-13-H3C(O)CH3
  538081.1968  0.0416 -6.0552 3  731.9968840  595161404523023 0    522726 0      C-13-H3C(O)CH3
  538087.3515  0.0592 -6.3551 3  731.9866420  595161404523023 4    522726 4      C-13-H3C(O)CH3
  538090.2038  0.0585 -6.3551 3  731.9866420  595161404523023 3    522726 3      C-13-H3C(O)CH3
  538097.9122  0.0450 -6.0545 3  731.9921840  595161404523023 1    522726 1      C-13-H3C(O)CH3
  538132.8739  0.0445 -6.2257 3  637.0293760  595161404473513 0    473216 0      C-13-H3C(O)CH3
  538160.5525  0.0355 -5.5106 3  809.5065856  595161404533915 0    524012 0      C-13-H3C(O)CH3
  538160.6553  0.0355 -5.5106 3  809.5065856  595161404533914 0    524013 0      C-13-H3C(O)CH3
  538185.6653  0.0184 -5.9927 3  590.1515760  595161404472622 0    472325 0      C-13-H3C(O)CH3
  538193.8335  0.1843 -6.0583 3 1605.1207D68  595161404852264 1    852065 1      C-13-H3C(O)CH3
  538193.8335  0.1843 -6.0583 3 1605.1207D68  595161404852164 1    852165 1      C-13-H3C(O)CH3
  538197.6004  0.1281 -6.4835 3 1605.1441684  595161404852164 3    852065 3      C-13-H3C(O)CH3
  538197.6565  0.1281 -6.3732 3 1605.1441684  595161404852264 4    852165 4      C-13-H3C(O)CH3
  538197.6565  0.1281 -6.3732 3 1605.1441684  595161404852164 4    852065 4      C-13-H3C(O)CH3
  538200.1644  0.1690 -6.0131 3 1605.0991D68  595161404852164 0    852165 0      C-13-H3C(O)CH3
  538200.1644  0.1690 -6.0131 3 1605.0991D68  595161404852264 0    852065 0      C-13-H3C(O)CH3
  538203.8776  0.1810 -6.2977 3 1605.1225D68  595161404852264 2    852065 2      C-13-H3C(O)CH3
  538203.8776  0.1810 -6.0396 3 1605.1225D68  595161404852264 2    852165 2      C-13-H3C(O)CH3
  538203.8776  0.1810 -6.3305 3 1605.1225D68  595161404852164 2    852065 2      C-13-H3C(O)CH3
  538220.2447  0.0656 -5.0462 3  836.8535A96  59516140468 563 1    68 564 1      C-13-H3C(O)CH3
  538220.2447  0.0656 -5.0462 3  836.8535A96  59516140468 663 1    68 464 1      C-13-H3C(O)CH3
  538220.2447  0.0656 -6.0739 3  836.8535A96  59516140468 663 1    68 564 1      C-13-H3C(O)CH3
  538220.2447  0.0656 -6.0739 3  836.8535A96  59516140468 563 1    68 464 1      C-13-H3C(O)CH3
  538222.1099  0.0651 -5.0826 3  836.8532A96  59516140468 663 2    68 564 2      C-13-H3C(O)CH3
  538222.1099  0.0651 -5.8049 3  836.8532A96  59516140468 563 2    68 564 2      C-13-H3C(O)CH3
  538222.1099  0.0651 -5.8049 3  836.8532A96  59516140468 663 2    68 464 2      C-13-H3C(O)CH3
  538222.1099  0.0651 -5.0826 3  836.8532A96  59516140468 563 2    68 464 2      C-13-H3C(O)CH3
  538224.9526  0.0468 -6.2302 3  637.0227760  595161404473513 1    473216 1      C-13-H3C(O)CH3
  538225.0161  0.0278 -5.9925 3  590.1335760  595161404472622 2    472325 2      C-13-H3C(O)CH3
  538244.0739  0.0378 -5.5104 3  809.5399856  595161404533915 2    524013 2      C-13-H3C(O)CH3
  538263.7369  0.0202 -5.9919 3  590.1352760  595161404472622 1    472325 1      C-13-H3C(O)CH3
  538298.9865  0.0369 -5.5106 3  809.5249856  595161404533915 1    524013 1      C-13-H3C(O)CH3
  538303.4602  0.0295 -6.2927 3  590.1171380  595161404472622 4    472325 4      C-13-H3C(O)CH3
  538303.7299  0.0292 -6.2927 3  590.1172380  595161404472622 3    472325 3      C-13-H3C(O)CH3
  538321.4702  0.0375 -5.5107 3  809.5365856  595161404533914 1    524012 1      C-13-H3C(O)CH3
  538332.0944  0.0361 -5.3271 3  795.8202540  59516140467 463 4    67 464 4      C-13-H3C(O)CH3
  538332.0944  0.0361 -5.3271 3  795.8202540  59516140467 563 4    67 364 4      C-13-H3C(O)CH3
  538332.7412  0.0357 -6.1678 3  795.8202540  59516140467 563 3    67 464 3      C-13-H3C(O)CH3
  538332.7412  0.0357 -6.1678 3  795.8202540  59516140467 463 3    67 364 3      C-13-H3C(O)CH3
  538332.7412  0.0357 -5.3833 3  795.8202540  59516140467 463 3    67 464 3      C-13-H3C(O)CH3
  538332.7412  0.0357 -5.3833 3  795.8202540  59516140467 563 3    67 364 3      C-13-H3C(O)CH3
  538359.7783  0.1933 -6.1375 3  944.9569952  595161404593326 0    583623 0      C-13-H3C(O)CH3
  538382.4448  0.0425 -5.8114 3  809.5584428  595161404533915 4    524013 4      C-13-H3C(O)CH3
  538393.6634  0.0952 -6.1484 3  671.8237396  595161404493317 3    483414 3      C-13-H3C(O)CH3
  538404.3799  0.0448 -5.8115 3  809.5699428  595161404533914 3    524012 3      C-13-H3C(O)CH3
  538412.0018  0.0352 -5.0162 3  836.8752A96  59516140468 663 0    68 464 0      C-13-H3C(O)CH3
  538412.0018  0.0352 -5.0162 3  836.8752A96  59516140468 563 0    68 564 0      C-13-H3C(O)CH3
  538442.5754  0.0491 -5.3690 3  671.7886396  595161404493317 4    483415 4      C-13-H3C(O)CH3
  538460.5031  0.0380 -5.5106 3  809.5423856  595161404533914 2    524012 2      C-13-H3C(O)CH3
  538489.9782  0.0098 -6.3139 3   75.2294296  5951614041810 8 2    17 711 2      C-13-H3C(O)CH3
  538495.5505  0.0117 -5.2536 3   75.7810344  59516140421 418 2    20 119 2      C-13-H3C(O)CH3
  538495.5505  0.0117 -5.2536 3   75.7810344  59516140421 318 2    20 219 2      C-13-H3C(O)CH3
  538498.8483  0.0118 -5.2514 3   75.7815344  59516140421 318 1    20 119 1      C-13-H3C(O)CH3
  538498.8483  0.0118 -5.2514 3   75.7815344  59516140421 418 1    20 219 1      C-13-H3C(O)CH3
  538525.6898  0.0341 -4.5266 3  410.8425316  595161404392316 3    382415 3      C-13-H3C(O)CH3
  538528.0914  0.0440 -5.0725 3  671.7900792  595161404493317 2    483415 2      C-13-H3C(O)CH3
  538552.2377  0.0328 -4.5270 3  410.8418316  595161404392316 4    382415 4      C-13-H3C(O)CH3
  538554.0102  0.0467 -6.2302 3  637.0274760  595161404473513 2    473216 2      C-13-H3C(O)CH3
  538564.3405  0.0413 -5.4454 3  671.8180396  595161404493317 3    483415 3      C-13-H3C(O)CH3
  538572.7958  0.0316 -4.2258 3  410.8620632  595161404392316 2    382415 2      C-13-H3C(O)CH3
  538598.7377  0.0438 -5.8117 3  809.5607428  595161404533915 3    524013 3      C-13-H3C(O)CH3
  538600.4502  0.0447 -5.3650 3  755.3990532  59516140466 363 4    66 364 4      C-13-H3C(O)CH3
  538600.4502  0.0447 -5.3650 3  755.3990532  59516140466 463 4    66 264 4      C-13-H3C(O)CH3
  538600.8763  0.0441 -5.3566 3  755.3990532  59516140466 463 3    66 264 3      C-13-H3C(O)CH3
  538600.8763  0.0441 -5.3566 3  755.3990532  59516140466 363 3    66 364 3      C-13-H3C(O)CH3
  538614.2182  0.0410 -5.9215 3  927.1609904  595161404564413 0    554510 0      C-13-H3C(O)CH3
  538614.2182  0.0410 -5.9215 3  927.1609904  595161404564412 0    554511 0      C-13-H3C(O)CH3
  538622.5461  0.0509 -5.8118 3  809.5722428  595161404533914 4    524012 4      C-13-H3C(O)CH3
  538624.5439  0.0505 -5.9218 3  927.1838904  595161404564413 1    554511 1      C-13-H3C(O)CH3
  538659.9815  0.0566 -5.0167 3  795.8305A80  59516140467 563 1    67 464 1      C-13-H3C(O)CH3
  538659.9815  0.0566 -5.0167 3  795.8305A80  59516140467 463 1    67 364 1      C-13-H3C(O)CH3
  538661.9679  0.0546 -5.0156 3  795.8302A80  59516140467 463 2    67 364 2      C-13-H3C(O)CH3
  538661.9679  0.0546 -5.0156 3  795.8302A80  59516140467 563 2    67 464 2      C-13-H3C(O)CH3
  538680.0063  0.0095 -6.3154 3   75.2307296  5951614041810 8 1    17 711 1      C-13-H3C(O)CH3
  538680.6316  0.0384 -5.0660 3  671.7809792  595161404493317 0    483414 0      C-13-H3C(O)CH3
  538736.0345  0.0393 -5.0775 3  671.7794792  595161404493317 1    483415 1      C-13-H3C(O)CH3
  538786.0248  0.0493 -5.9217 3  927.1851904  595161404564412 1    554510 1      C-13-H3C(O)CH3
  538786.7729  0.0095 -6.3110 3   75.1954296  5951614041810 8 0    17 711 0      C-13-H3C(O)CH3
  538823.2625  0.1692 -5.9705 3 1554.2199D52  595161404842164 0    842065 0      C-13-H3C(O)CH3
  538823.2625  0.1692 -5.9705 3 1554.2199D52  595161404842064 0    841965 0      C-13-H3C(O)CH3
  538832.2034  0.0614 -5.8916 3  715.5693524  59516140465 263 3    65 164 3      C-13-H3C(O)CH3
  538832.2034  0.0614 -5.8916 3  715.5693524  59516140465 363 3    65 264 3      C-13-H3C(O)CH3
  538832.2034  0.0614 -5.6380 3  715.5693524  59516140465 363 3    65 164 3      C-13-H3C(O)CH3
  538832.2034  0.0614 -5.6380 3  715.5693524  59516140465 263 3    65 264 3      C-13-H3C(O)CH3
  538832.2180  0.0490 -5.9219 3  927.1770904  595161404564413 2    554511 2      C-13-H3C(O)CH3
  538832.4056  0.0621 -5.5374 3  715.5694524  59516140465 263 4    65 264 4      C-13-H3C(O)CH3
  538832.4056  0.0621 -6.1651 3  715.5694524  59516140465 263 4    65 164 4      C-13-H3C(O)CH3
  538832.4056  0.0621 -6.1651 3  715.5694524  59516140465 363 4    65 264 4      C-13-H3C(O)CH3
  538832.4056  0.0621 -5.5374 3  715.5694524  59516140465 363 4    65 164 4      C-13-H3C(O)CH3
  538834.9082  0.1922 -5.9387 3 1554.2409D52  595161404842164 1    841965 1      C-13-H3C(O)CH3
  538834.9082  0.1922 -6.3455 3 1554.2409D52  595161404842064 1    842065 1      C-13-H3C(O)CH3
  538834.9082  0.1922 -6.1334 3 1554.2409D52  595161404842064 1    841965 1      C-13-H3C(O)CH3
  538837.0928  0.1876 -6.3187 3 1021.4503984  595161404613725 0    613428 0      C-13-H3C(O)CH3
  538844.3688  0.0648 -6.2233 3  927.1998452  595161404564413 4    554511 4      C-13-H3C(O)CH3
  538844.5925  0.1890 -6.0088 3 1554.2423D52  595161404842064 2    841965 2      C-13-H3C(O)CH3
  538844.5925  0.1890 -5.9929 3 1554.2423D52  595161404842164 2    841965 2      C-13-H3C(O)CH3
  538856.3098  0.1254 -6.4060 3 1554.2633676  595161404842164 3    841965 3      C-13-H3C(O)CH3
  538856.3098  0.1254 -6.4060 3 1554.2633676  595161404842064 3    842065 3      C-13-H3C(O)CH3
  538856.3942  0.1254 -6.2430 3 1554.2633676  595161404842064 4    842065 4      C-13-H3C(O)CH3
  538856.3942  0.1254 -6.2430 3 1554.2633676  595161404842164 4    841965 4      C-13-H3C(O)CH3
  538875.6706  0.2074 -6.2829 3  950.2072952  595161404593425 1    593128 1      C-13-H3C(O)CH3
  538876.7054  0.0328 -5.4451 3  671.8237396  595161404493316 3    483414 3      C-13-H3C(O)CH3
  538898.8324  0.3086 -6.2830 3  950.2082952  595161404593425 2    593128 2      C-13-H3C(O)CH3
  538899.6908  0.0514 -5.9215 3  927.1929904  595161404564412 2    554510 2      C-13-H3C(O)CH3
  538910.8599  0.0648 -6.2229 3  927.2158452  595161404564412 3    554510 3      C-13-H3C(O)CH3
  538924.2708  0.0326 -5.0722 3  671.8251792  595161404493316 2    483414 2      C-13-H3C(O)CH3
  538925.6652  0.1415 -6.3187 3 1021.4611984  595161404613725 2    613428 2      C-13-H3C(O)CH3
  538965.3670  0.1807 -6.3187 3 1021.4594984  595161404613725 1    613428 1      C-13-H3C(O)CH3
  538973.6225  0.0395 -5.0772 3  671.8088792  595161404493316 1    483414 1      C-13-H3C(O)CH3
  538979.4151  0.0041 -4.1070 3  452.8461364 -595161404451233 3    441232 3      C-13-H3C(O)CH3
  538979.4151  0.0041 -4.1131 3  452.8461364 -595161404451233 3    441332 3      C-13-H3C(O)CH3
  538979.4151  0.0040 -3.8094 3  452.8461364 -595161404451333 4    441332 4      C-13-H3C(O)CH3
  538979.4151  0.0041 -4.1070 3  452.8461364 -595161404451333 3    441332 3      C-13-H3C(O)CH3
  538979.4151  0.0041 -4.1131 3  452.8461364 -595161404451333 3    441232 3      C-13-H3C(O)CH3
  538979.4151  0.0040 -3.8094 3  452.8461364 -595161404451233 4    441232 4      C-13-H3C(O)CH3
  538984.2238  0.0046 -3.7456 3  452.8759728  595161404451233 1    441232 1      C-13-H3C(O)CH3
  538984.2238  0.0046 -3.7740 3  452.8759728  595161404451333 1    441332 1      C-13-H3C(O)CH3
  538984.2496  0.0046 -3.8834 3  452.8759728 -595161404451233 1    441332 1      C-13-H3C(O)CH3
  538984.2496  0.0046 -3.8472 3  452.8759728 -595161404451333 1    441232 1      C-13-H3C(O)CH3
  538986.1750  0.0046 -5.4306 3  452.8750728 -595161404451233 2    441232 2      C-13-H3C(O)CH3
  538986.1750  0.0046 -3.5132 3  452.8750728 -595161404451233 2    441332 2      C-13-H3C(O)CH3
  538986.1750  0.0046 -3.5132 3  452.8750728 -595161404451333 2    441232 2      C-13-H3C(O)CH3
  538986.1750  0.0046 -5.4306 3  452.8750728 -595161404451333 2    441332 2      C-13-H3C(O)CH3
  538988.7854  0.0341 -5.0321 3  795.8405A80  59516140467 463 0    67 464 0      C-13-H3C(O)CH3
  538988.7854  0.0341 -6.4280 3  795.8405A80  59516140467 463 0    67 364 0      C-13-H3C(O)CH3
  538988.7854  0.0341 -6.4280 3  795.8405A80  59516140467 563 0    67 464 0      C-13-H3C(O)CH3
  538988.7854  0.0341 -5.0321 3  795.8405A80  59516140467 563 0    67 364 0      C-13-H3C(O)CH3
  538990.8702  0.0034 -3.8637 3  452.9047728  595161404451233 0    441232 0      C-13-H3C(O)CH3
  538990.8702  0.0034 -3.7606 3  452.9047728  595161404451233 0    441332 0      C-13-H3C(O)CH3
  538990.8702  0.0034 -3.7606 3  452.9047728  595161404451333 0    441232 0      C-13-H3C(O)CH3
  538990.8702  0.0034 -3.8637 3  452.9047728  595161404451333 0    441332 0      C-13-H3C(O)CH3
  539000.0000  0.0309 -5.3686 3  671.8531396  595161404493316 4    483414 4      C-13-H3C(O)CH3
  539005.4037  0.0637 -6.2232 3  927.2011452  595161404564413 3    554511 3      C-13-H3C(O)CH3
  539024.3287  0.0886 -5.6882 3  676.3328516  59516140464 263 3    64 064 3      C-13-H3C(O)CH3
  539024.3287  0.0886 -5.6882 3  676.3328516  59516140464 163 3    64 164 3      C-13-H3C(O)CH3
  539025.8241  0.0889 -5.6869 3  676.3328516  59516140464 263 4    64 164 4      C-13-H3C(O)CH3
  539025.8241  0.0889 -5.6934 3  676.3328516  59516140464 163 4    64 064 4      C-13-H3C(O)CH3
  539028.6502  0.0212 -4.2231 3  410.8636632  595161404392316 1    382415 1      C-13-H3C(O)CH3
  539039.8256  0.0114 -6.3691 3   75.7204344  59516140421 318 0    20 119 0      C-13-H3C(O)CH3
  539039.8256  0.0114 -6.3724 3   75.7204344  59516140421 418 0    20 219 0      C-13-H3C(O)CH3
  539039.8256  0.0114 -5.2821 3   75.7204344  59516140421 318 0    20 219 0      C-13-H3C(O)CH3
  539039.8256  0.0114 -5.2818 3   75.7204344  59516140421 418 0    20 119 0      C-13-H3C(O)CH3
  539041.1309  0.0388 -5.0653 3  671.7805792  595161404493316 0    483415 0      C-13-H3C(O)CH3
  539047.3825  0.0822 -6.1470 3  671.8180396  595161404493316 3    483415 3      C-13-H3C(O)CH3
  539069.2646  0.0206 -4.2230 3  410.8833632  595161404392316 0    382415 0      C-13-H3C(O)CH3
  539072.1304  0.0684 -6.2228 3  927.2171452  595161404564412 4    554510 4      C-13-H3C(O)CH3
  539098.5659  0.0554 -6.2798 3  755.3918A64  59516140466 363 1    66 364 1      C-13-H3C(O)CH3
  539098.5659  0.0554 -5.0798 3  755.3918A64  59516140466 463 1    66 364 1      C-13-H3C(O)CH3
  539098.5659  0.0554 -6.2798 3  755.3918A64  59516140466 463 1    66 264 1      C-13-H3C(O)CH3
  539098.5659  0.0554 -5.0798 3  755.3918A64  59516140466 363 1    66 264 1      C-13-H3C(O)CH3
  539099.9024  0.0506 -6.0741 3  755.3914A64  59516140466 363 2    66 264 2      C-13-H3C(O)CH3
  539099.9024  0.0506 -6.0741 3  755.3914A64  59516140466 463 2    66 364 2      C-13-H3C(O)CH3
  539099.9024  0.0506 -5.0966 3  755.3914A64  59516140466 463 2    66 264 2      C-13-H3C(O)CH3
  539099.9024  0.0506 -5.0966 3  755.3914A64  59516140466 363 2    66 364 2      C-13-H3C(O)CH3
  539123.7404  0.0073 -5.0803 3  116.8450344  5951614042116 5 0    2013 8 0      C-13-H3C(O)CH3
  539137.3154  0.0029 -3.6811 3  492.5165428  59516140453 450 4    52 349 4      C-13-H3C(O)CH3
  539137.3263  0.0029 -6.0550 3  492.5164428  59516140453 350 3    52 349 3      C-13-H3C(O)CH3
  539137.3263  0.0029 -3.6827 3  492.5164428  59516140453 450 3    52 349 3      C-13-H3C(O)CH3
  539137.3498  0.0029 -3.6811 3  492.5165428 -59516140453 350 4    52 449 4      C-13-H3C(O)CH3
  539137.3498  0.0029 -3.6827 3  492.5164428 -59516140453 350 3    52 449 3      C-13-H3C(O)CH3
  539137.3498  0.0029 -6.0550 3  492.5164428 -59516140453 450 3    52 449 3      C-13-H3C(O)CH3
  539168.1830  0.0040 -3.5573 3  492.5125856  59516140453 350 1    52 449 1      C-13-H3C(O)CH3
  539168.1830  0.0040 -3.8542 3  492.5125856  59516140453 450 1    52 449 1      C-13-H3C(O)CH3
  539168.2497  0.0040 -3.3800 3  492.5121856 -59516140453 450 2    52 349 2      C-13-H3C(O)CH3
  539168.2497  0.0040 -3.5573 3  492.5125856 -59516140453 450 1    52 349 1      C-13-H3C(O)CH3
  539168.2497  0.0040 -3.8542 3  492.5125856 -59516140453 350 1    52 349 1      C-13-H3C(O)CH3
  539168.2806  0.0040 -3.3800 3  492.5121856  59516140453 350 2    52 449 2      C-13-H3C(O)CH3
  539199.0686  0.0030 -5.9340 3  492.5082856 -59516140453 350 0    52 449 0      C-13-H3C(O)CH3
  539199.0686  0.0030 -3.3810 3  492.5082856 -59516140453 450 0    52 449 0      C-13-H3C(O)CH3
  539199.0686  0.0030 -5.9349 3  492.5082856 -59516140453 450 0    52 349 0      C-13-H3C(O)CH3
  539199.0686  0.0030 -3.3810 3  492.5082856 -59516140453 350 0    52 349 0      C-13-H3C(O)CH3
  539280.1488  0.0043 -4.4810 3  138.7773196  595161404241113 3    231014 3      C-13-H3C(O)CH3
  539280.6399  0.0058 -4.4810 3  138.7774196  595161404241113 4    231014 4      C-13-H3C(O)CH3
  539340.2315  0.0117 -5.4160 3  116.8546344  5951614042116 5 1    2013 8 1      C-13-H3C(O)CH3
  539364.0165  0.0042 -4.4809 3  138.7773196  595161404241213 3    23 914 3      C-13-H3C(O)CH3
  539364.0719  0.0057 -4.4809 3  138.7773196  595161404241213 4    23 914 4      C-13-H3C(O)CH3
  539386.6842  0.2145 -6.2833 3  950.1995952  595161404593425 0    593128 0      C-13-H3C(O)CH3
  539425.4531  0.1675 -5.9121 3 1503.9141D36  595161404832064 0    831865 0      C-13-H3C(O)CH3
  539425.4531  0.1675 -5.9121 3 1503.9141D36  595161404831964 0    831965 0      C-13-H3C(O)CH3
  539442.0150  0.0117 -5.4019 3  116.8539344  5951614042116 5 2    2013 8 2      C-13-H3C(O)CH3
  539456.8876  0.1960 -6.4746 3 1503.9337D36  595161404831964 1    831965 1      C-13-H3C(O)CH3
  539456.8876  0.1960 -5.9555 3 1503.9337D36  595161404831964 1    831865 1      C-13-H3C(O)CH3
  539456.8876  0.1960 -6.4746 3 1503.9337D36  595161404832064 1    831865 1      C-13-H3C(O)CH3
  539456.8876  0.1960 -5.9555 3 1503.9337D36  595161404832064 1    831965 1      C-13-H3C(O)CH3
  539465.8189  0.1933 -5.8530 3 1503.9346D36  595161404831964 2    831965 2      C-13-H3C(O)CH3
  539465.8189  0.1933 -5.8530 3 1503.9346D36  595161404832064 2    831865 2      C-13-H3C(O)CH3
  539474.3411  0.0041 -4.1795 3  138.7678392  595161404241113 2    231014 2      C-13-H3C(O)CH3
  539497.3436  0.1220 -6.3149 3 1503.9542668  595161404831964 3    831965 3      C-13-H3C(O)CH3
  539497.3436  0.1220 -6.3641 3 1503.9542668  595161404832064 3    831865 3      C-13-H3C(O)CH3
  539497.4574  0.1220 -6.1460 3 1503.9542668  595161404831964 4    831965 4      C-13-H3C(O)CH3
  539497.4574  0.1220 -6.1460 3 1503.9542668  595161404832064 4    831865 4      C-13-H3C(O)CH3
  539511.6312  0.0041 -4.1796 3  138.7699392  595161404241113 1    231014 1      C-13-H3C(O)CH3
  539537.4048  0.0804 -5.2755 3  715.5374A48  59516140465 363 2    65 164 2      C-13-H3C(O)CH3
  539537.4048  0.0804 -5.7228 3  715.5374A48  59516140465 263 2    65 164 2      C-13-H3C(O)CH3
  539537.4048  0.0804 -5.7228 3  715.5374A48  59516140465 363 2    65 264 2      C-13-H3C(O)CH3
  539537.4048  0.0804 -5.2755 3  715.5374A48  59516140465 263 2    65 264 2      C-13-H3C(O)CH3
  539537.9125  0.0857 -5.2701 3  715.5378A48  59516140465 363 1    65 264 1      C-13-H3C(O)CH3
  539537.9125  0.0857 -5.7389 3  715.5378A48  59516140465 363 1    65 164 1      C-13-H3C(O)CH3
  539537.9125  0.0857 -5.2701 3  715.5378A48  59516140465 263 1    65 164 1      C-13-H3C(O)CH3
  539537.9125  0.0857 -5.7389 3  715.5378A48  59516140465 263 1    65 264 1      C-13-H3C(O)CH3
  539560.8036  0.0041 -4.1794 3  138.7678392  595161404241213 2    23 914 2      C-13-H3C(O)CH3
  539595.2788  0.0041 -4.1795 3  138.7699392  595161404241213 1    23 914 1      C-13-H3C(O)CH3
  539596.8212  0.0408 -6.4564 3  755.3843A64  59516140466 363 0    66 364 0      C-13-H3C(O)CH3
  539596.8212  0.0408 -6.4564 3  755.3843A64  59516140466 463 0    66 264 0      C-13-H3C(O)CH3
  539596.8212  0.0408 -5.0696 3  755.3843A64  59516140466 463 0    66 364 0      C-13-H3C(O)CH3
  539596.8212  0.0408 -5.0696 3  755.3843A64  59516140466 363 0    66 264 0      C-13-H3C(O)CH3
  539705.2526  0.0042 -4.1790 3  138.7605392  595161404241113 0    231014 0      C-13-H3C(O)CH3
  539768.2192  0.0166 -5.7735 3  116.8612172  5951614042116 5 4    2013 8 4      C-13-H3C(O)CH3
  539785.8143  0.0094 -6.1525 3  124.6374180  5951614042215 8 4    211210 4      C-13-H3C(O)CH3
  539791.6374  0.0042 -4.1789 3  138.7604392  595161404241213 0    23 914 0      C-13-H3C(O)CH3
  539975.9668  0.1457 -5.5980 3  676.2685A32  59516140464 163 2    64 064 2      C-13-H3C(O)CH3
  539975.9668  0.1457 -5.7318 3  676.2685A32  59516140464 263 2    64 064 2      C-13-H3C(O)CH3
  539975.9668  0.1457 -5.5980 3  676.2685A32  59516140464 263 2    64 164 2      C-13-H3C(O)CH3
  539975.9668  0.1457 -5.7318 3  676.2685A32  59516140464 163 2    64 164 2      C-13-H3C(O)CH3
  539980.0151  0.1495 -5.6363 3  676.2688A32  59516140464 263 1    64 164 1      C-13-H3C(O)CH3
  539980.0151  0.1495 -5.6850 3  676.2688A32  59516140464 263 1    64 064 1      C-13-H3C(O)CH3
  539980.0151  0.1495 -5.6850 3  676.2688A32  59516140464 163 1    64 164 1      C-13-H3C(O)CH3
  539980.0151  0.1495 -5.6363 3  676.2688A32  59516140464 163 1    64 064 1      C-13-H3C(O)CH3
  539993.3309  0.0039 -3.7968 3  461.4347372 -595161404461135 3    451234 3      C-13-H3C(O)CH3
  539993.3309  0.0039 -5.3369 3  461.4346372 -595161404461235 4    451134 4      C-13-H3C(O)CH3
  539993.3309  0.0039 -3.8074 3  461.4346372 -595161404461235 4    451234 4      C-13-H3C(O)CH3
  539993.3309  0.0039 -6.1396 3  461.4347372 -595161404461235 3    451234 3      C-13-H3C(O)CH3
  539993.3309  0.0039 -6.1396 3  461.4347372 -595161404461135 3    451134 3      C-13-H3C(O)CH3
  539993.3309  0.0039 -3.7968 3  461.4347372 -595161404461235 3    451134 3      C-13-H3C(O)CH3
  539993.3309  0.0039 -5.3369 3  461.4346372 -595161404461135 4    451234 4      C-13-H3C(O)CH3
  539993.3309  0.0039 -3.8074 3  461.4346372 -595161404461135 4    451134 4      C-13-H3C(O)CH3
  540001.3357  0.0047 -3.7638 3  461.4643744 -595161404461235 1    451134 1      C-13-H3C(O)CH3
  540001.3357  0.0047 -3.8283 3  461.4643744 -595161404461135 1    451134 1      C-13-H3C(O)CH3
  540001.3357  0.0047 -3.7638 3  461.4643744 -595161404461135 1    451234 1      C-13-H3C(O)CH3
  540001.3357  0.0047 -3.8283 3  461.4643744 -595161404461235 1    451234 1      C-13-H3C(O)CH3
  540002.8856  0.0047 -3.5468 3  461.4636744 -595161404461135 2    451134 2      C-13-H3C(O)CH3
  540002.8856  0.0047 -4.4334 3  461.4636744 -595161404461135 2    451234 2      C-13-H3C(O)CH3
  540002.8856  0.0047 -3.5468 3  461.4636744 -595161404461235 2    451234 2      C-13-H3C(O)CH3
  540002.8856  0.0047 -4.4334 3  461.4636744 -595161404461235 2    451134 2      C-13-H3C(O)CH3
  540007.9102  0.1628 -5.7700 3 1454.1827D20  595161404821964 0    821765 0      C-13-H3C(O)CH3
  540007.9102  0.1628 -5.7700 3 1454.1827D20  595161404821864 0    821865 0      C-13-H3C(O)CH3
  540010.7605  0.0034 -4.9695 3  461.4932744 -595161404461235 0    451234 0      C-13-H3C(O)CH3
  540010.7605  0.0034 -3.5086 3  461.4932744 -595161404461235 0    451134 0      C-13-H3C(O)CH3
  540010.7605  0.0034 -3.5086 3  461.4932744 -595161404461135 0    451234 0      C-13-H3C(O)CH3
  540010.7605  0.0034 -4.9695 3  461.4932744 -595161404461135 0    451134 0      C-13-H3C(O)CH3
  540060.3924  0.1946 -5.7609 3 1454.1999D20  595161404821864 1    821765 1      C-13-H3C(O)CH3
  540060.3924  0.1946 -5.7609 3 1454.1999D20  595161404821964 1    821865 1      C-13-H3C(O)CH3
  540068.2532  0.1925 -5.7979 3 1454.2005D20  595161404821964 2    821765 2      C-13-H3C(O)CH3
  540068.2532  0.1925 -5.7979 3 1454.2005D20  595161404821864 2    821865 2      C-13-H3C(O)CH3
  540120.8443  0.1176 -6.1733 3 1454.2177660  595161404821864 3    821765 3      C-13-H3C(O)CH3
  540120.8443  0.1176 -6.1733 3 1454.2177660  595161404821964 3    821865 3      C-13-H3C(O)CH3
  540120.9879  0.1177 -6.0593 3 1454.2177660  595161404821964 4    821865 4      C-13-H3C(O)CH3
  540120.9879  0.1177 -6.0593 3 1454.2177660  595161404821864 4    821765 4      C-13-H3C(O)CH3
  540241.7534  0.0660 -5.1505 3  715.5059A48  59516140465 363 0    65 264 0      C-13-H3C(O)CH3
  540241.7534  0.0660 -5.1505 3  715.5059A48  59516140465 263 0    65 164 0      C-13-H3C(O)CH3
  540263.9698  0.0071 -3.4095 3  233.2289220  5951614042727 0 4    2626 0 4      C-13-H3C(O)CH3
  540272.4819  0.0030 -4.1483 3  496.1879436  59516140454 352 3    53 351 3      C-13-H3C(O)CH3
  540272.4819  0.0030 -3.8417 3  496.1879436  59516140454 252 3    53 351 3      C-13-H3C(O)CH3
  540272.4894  0.0030 -3.7465 3  496.1880436  59516140454 252 4    53 251 4      C-13-H3C(O)CH3
  540272.4894  0.0030 -4.4463 3  496.1880436  59516140454 352 4    53 251 4      C-13-H3C(O)CH3
  540272.5399  0.0030 -3.8417 3  496.1879436 -59516140454 352 3    53 251 3      C-13-H3C(O)CH3
  540272.5399  0.0030 -4.1483 3  496.1879436 -59516140454 252 3    53 251 3      C-13-H3C(O)CH3
  540272.5399  0.0030 -3.7465 3  496.1880436 -59516140454 352 4    53 351 4      C-13-H3C(O)CH3
  540272.5399  0.0030 -4.4463 3  496.1880436 -59516140454 252 4    53 351 4      C-13-H3C(O)CH3
  540299.5478  0.0041 -3.7305 3  496.1690872 -59516140454 252 2    53 251 2      C-13-H3C(O)CH3
  540299.5478  0.0041 -3.7305 3  496.1690872 -59516140454 352 2    53 351 2      C-13-H3C(O)CH3
  540299.5478  0.0042 -4.4966 3  496.1694872 -59516140454 352 1    53 251 1      C-13-H3C(O)CH3
  540299.5478  0.0042 -3.3998 3  496.1694872 -59516140454 352 1    53 351 1      C-13-H3C(O)CH3
  540299.5478  0.0042 -3.3998 3  496.1694872 -59516140454 252 1    53 251 1      C-13-H3C(O)CH3
  540299.5478  0.0042 -4.4966 3  496.1694872 -59516140454 252 1    53 351 1      C-13-H3C(O)CH3
  540299.5478  0.0041 -3.6122 3  496.1690872 -59516140454 252 2    53 351 2      C-13-H3C(O)CH3
  540299.5478  0.0041 -3.6122 3  496.1690872 -59516140454 352 2    53 251 2      C-13-H3C(O)CH3
  540326.5065  0.0031 -5.4207 3  496.1505872 -59516140454 352 0    53 351 0      C-13-H3C(O)CH3
  540326.5065  0.0031 -3.3701 3  496.1505872 -59516140454 252 0    53 351 0      C-13-H3C(O)CH3
  540326.5664  0.0031 -5.4207 3  496.1505872  59516140454 252 0    53 251 0      C-13-H3C(O)CH3
  540326.5664  0.0031 -3.3701 3  496.1505872  59516140454 352 0    53 251 0      C-13-H3C(O)CH3
  540390.2464  0.0058 -3.1084 3  233.3005440 -5951614042727 0 2    2626 0 2      C-13-H3C(O)CH3
  540403.0060  0.0066 -6.2367 3  124.6283360  5951614042215 8 1    211210 1      C-13-H3C(O)CH3
  540435.3530  0.0062 -3.1083 3  233.2842440 -5951614042727 1 1    2626 0 1      C-13-H3C(O)CH3
  540522.4155  0.0070 -3.4090 3  233.2061220  5951614042727 1 3    2626 1 3      C-13-H3C(O)CH3
  540561.6060  0.0069 -3.4090 3  233.2284220  5951614042727 0 3    2626 0 3      C-13-H3C(O)CH3
  540562.4682  0.0055 -3.1082 3  233.3559440  5951614042727 1 0    2626 1 0      C-13-H3C(O)CH3
  540562.4682  0.0055 -3.1082 3  233.3559440  5951614042727 0 0    2626 0 0      C-13-H3C(O)CH3
  540572.0100  0.1549 -5.6789 3 1405.0265D04  595161404811864 0    811765 0      C-13-H3C(O)CH3
  540572.0100  0.1549 -5.6789 3 1405.0265D04  595161404811764 0    811665 0      C-13-H3C(O)CH3
  540629.0629  0.0059 -6.4563 3  124.6246360  5951614042215 8 2    211210 2      C-13-H3C(O)CH3
  540646.0758  0.1876 -5.6986 3 1405.0404D04  595161404811864 1    811765 1      C-13-H3C(O)CH3
  540646.0758  0.1876 -5.6986 3 1405.0404D04  595161404811764 1    811665 1      C-13-H3C(O)CH3
  540649.1445  0.0055 -3.1080 3  233.2777440 -5951614042727 1 2    2626 1 2      C-13-H3C(O)CH3
  540652.6384  0.1863 -5.8281 3 1405.0407D04  595161404811864 2    811765 2      C-13-H3C(O)CH3
  540652.6384  0.1863 -5.8281 3 1405.0407D04  595161404811764 2    811665 2      C-13-H3C(O)CH3
  540652.6384  0.1863 -6.2128 3 1405.0407D04  595161404811864 2    811665 2      C-13-H3C(O)CH3
  540652.6384  0.1863 -6.2128 3 1405.0407D04  595161404811764 2    811765 2      C-13-H3C(O)CH3
  540726.8308  0.1122 -6.0429 3 1405.0547652  595161404811864 3    811665 3      C-13-H3C(O)CH3
  540726.8308  0.1122 -6.0429 3 1405.0547652  595161404811764 3    811765 3      C-13-H3C(O)CH3
  540727.0035  0.1123 -6.0051 3 1405.0547652  595161404811864 4    811665 4      C-13-H3C(O)CH3
  540727.0035  0.1123 -6.0051 3 1405.0547652  595161404811764 4    811765 4      C-13-H3C(O)CH3
  540733.5365  0.0058 -3.1078 3  233.2837440 -5951614042727 0 1    2626 1 1      C-13-H3C(O)CH3
  540760.5294  0.0053 -4.3916 3  156.7685204  595161404251312 3    241213 3      C-13-H3C(O)CH3
  540765.7654  0.0068 -4.3916 3  156.7686204  595161404251312 4    241213 4      C-13-H3C(O)CH3
  540819.7429  0.0073 -3.4086 3  233.2056220  5951614042727 1 4    2626 1 4      C-13-H3C(O)CH3
  540840.5304  0.0047 -4.0904 3  156.7656408  595161404251312 2    241213 2      C-13-H3C(O)CH3
  540929.3081  0.1128 -5.4519 3  676.2046A32  59516140464 263 0    64 064 0      C-13-H3C(O)CH3
  540929.3081  0.1128 -6.0629 3  676.2046A32  59516140464 263 0    64 164 0      C-13-H3C(O)CH3
  540929.3081  0.1128 -5.4519 3  676.2046A32  59516140464 163 0    64 164 0      C-13-H3C(O)CH3
  540929.3081  0.1128 -6.0629 3  676.2046A32  59516140464 163 0    64 064 0      C-13-H3C(O)CH3
  540931.4595  0.0047 -4.0904 3  156.7689408  595161404251312 1    241213 1      C-13-H3C(O)CH3
  541009.4893  0.0046 -4.0901 3  156.7659408  595161404251312 0    241213 0      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.0897 3  469.4710380 -595161404471137 3    461136 3      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.3329 3  469.4710380 -595161404471137 4    461036 4      C-13-H3C(O)CH3
  541034.3136  0.0038 -3.9246 3  469.4710380 -595161404471137 4    461136 4      C-13-H3C(O)CH3
  541034.3136  0.0038 -3.9246 3  469.4710380 -595161404471037 4    461036 4      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.3329 3  469.4710380 -595161404471037 4    461136 4      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.0754 3  469.4710380 -595161404471037 3    461136 3      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.0897 3  469.4710380 -595161404471037 3    461036 3      C-13-H3C(O)CH3
  541034.3136  0.0038 -4.0754 3  469.4710380 -595161404471137 3    461036 3      C-13-H3C(O)CH3
  541045.8371  0.0048 -5.0018 3  469.5002760 -595161404471037 1    461136 1      C-13-H3C(O)CH3
  541045.8371  0.0048 -3.4937 3  469.5002760 -595161404471137 1    461136 1      C-13-H3C(O)CH3
  541045.8371  0.0048 -5.0018 3  469.5002760 -595161404471137 1    461036 1      C-13-H3C(O)CH3
  541045.8371  0.0048 -3.4937 3  469.5002760 -595161404471037 1    461036 1      C-13-H3C(O)CH3
  541047.0991  0.0047 -3.9172 3  469.4996760 -595161404471137 2    461036 2      C-13-H3C(O)CH3
  541047.0991  0.0047 -3.6783 3  469.4996760 -595161404471037 2    461036 2      C-13-H3C(O)CH3
  541047.0991  0.0047 -3.9172 3  469.4996760 -595161404471037 2    461136 2      C-13-H3C(O)CH3
  541047.0991  0.0047 -3.6783 3  469.4996760 -595161404471137 2    461136 2      C-13-H3C(O)CH3
  541058.3996  0.0033 -5.1245 3  469.5288760 -595161404471137 0    461136 0      C-13-H3C(O)CH3
  541058.3996  0.0033 -3.4905 3  469.5288760 -595161404471037 0    461136 0      C-13-H3C(O)CH3
  541058.3996  0.0033 -5.1245 3  469.5288760 -595161404471037 0    461036 0      C-13-H3C(O)CH3
  541058.3996  0.0033 -3.4905 3  469.5288760 -595161404471137 0    461036 0      C-13-H3C(O)CH3
  541119.3567  0.1437 -5.6730 3 1356.4465C88  595161404801764 0    801565 0      C-13-H3C(O)CH3
  541119.3567  0.1437 -6.4171 3 1356.4465C88  595161404801664 0    801565 0      C-13-H3C(O)CH3
  541119.3567  0.1437 -5.6730 3 1356.4465C88  595161404801664 0    801665 0      C-13-H3C(O)CH3
  541119.3567  0.1437 -6.4171 3 1356.4465C88  595161404801764 0    801665 0      C-13-H3C(O)CH3
  541214.6326  0.1753 -5.6073 3 1356.4563C88  595161404801764 1    801565 1      C-13-H3C(O)CH3
  541214.6326  0.1753 -5.6073 3 1356.4563C88  595161404801664 1    801665 1      C-13-H3C(O)CH3
  541219.7685  0.1747 -5.6686 3 1356.4564C88  595161404801664 2    801665 2      C-13-H3C(O)CH3
  541219.7685  0.1747 -6.4410 3 1356.4564C88  595161404801764 2    801665 2      C-13-H3C(O)CH3
  541219.7685  0.1747 -5.6686 3 1356.4564C88  595161404801764 2    801565 2      C-13-H3C(O)CH3
  541219.7685  0.1747 -6.4410 3 1356.4564C88  595161404801664 2    801565 2      C-13-H3C(O)CH3
  541261.6449  0.0044 -3.8627 3  243.0742244  595161404302010 3    291911 3      C-13-H3C(O)CH3
  541278.0200  0.0034 -3.5558 3  243.0925488  595161404302010 2    291911 2      C-13-H3C(O)CH3
  541312.8053  0.0033 -3.5551 3  243.1104488  595161404302010 0    291911 0      C-13-H3C(O)CH3
  541315.1867  0.1058 -6.1491 3 1356.4661644  595161404801664 3    801665 3      C-13-H3C(O)CH3
  541315.1867  0.1058 -6.2639 3 1356.4661644  595161404801764 3    801665 3      C-13-H3C(O)CH3
  541315.1867  0.1058 -6.1491 3 1356.4661644  595161404801764 3    801565 3      C-13-H3C(O)CH3
  541315.1867  0.1058 -6.2639 3 1356.4661644  595161404801664 3    801565 3      C-13-H3C(O)CH3
  541315.3861  0.1059 -5.9300 3 1356.4661644  595161404801764 4    801565 4      C-13-H3C(O)CH3
  541315.3861  0.1059 -5.9300 3 1356.4661644  595161404801664 4    801665 4      C-13-H3C(O)CH3
  541316.3690  0.0062 -3.8724 3  243.0730244  595161404302010 4    291911 4      C-13-H3C(O)CH3
  541322.9053  0.0039 -3.5657 3  243.0917488  595161404302010 1    291911 1      C-13-H3C(O)CH3
  541378.3952  0.0397 -5.1410 3  576.7495372  595161404462819 4    452916 4      C-13-H3C(O)CH3
  541417.4252  0.0038 -3.7279 3  499.3261444  59516140455 154 3    54 253 3      C-13-H3C(O)CH3
  541417.4252  0.0038 -4.4570 3  499.3261444  59516140455 254 3    54 253 3      C-13-H3C(O)CH3
  541417.4400  0.0038 -3.6536 3  499.3261444  59516140455 254 4    54 153 4      C-13-H3C(O)CH3
  541417.4532  0.0038 -3.7279 3  499.3261444 -59516140455 254 3    54 153 3      C-13-H3C(O)CH3
  541417.4532  0.0038 -3.6536 3  499.3261444 -59516140455 154 4    54 253 4      C-13-H3C(O)CH3
  541417.4532  0.0038 -4.4570 3  499.3261444 -59516140455 154 3    54 153 3      C-13-H3C(O)CH3
  541436.1223  0.0050 -3.4262 3  499.2877888 -59516140455 154 1    54 153 1      C-13-H3C(O)CH3
  541436.1223  0.0050 -3.4262 3  499.2877888 -59516140455 254 1    54 253 1      C-13-H3C(O)CH3
  541436.1223  0.0046 -5.7471 3  499.2873888 -59516140455 254 2    54 153 2      C-13-H3C(O)CH3
  541436.1223  0.0046 -3.3543 3  499.2873888 -59516140455 154 2    54 153 2      C-13-H3C(O)CH3
  541436.1574  0.0050 -4.1589 3  499.2877888  59516140455 254 1    54 153 1      C-13-H3C(O)CH3
  541436.1574  0.0050 -4.1589 3  499.2877888  59516140455 154 1    54 253 1      C-13-H3C(O)CH3
  541436.1674  0.0046 -5.7471 3  499.2873888  59516140455 154 2    54 253 2      C-13-H3C(O)CH3
  541436.1674  0.0046 -3.3543 3  499.2873888  59516140455 254 2    54 253 2      C-13-H3C(O)CH3
  541454.8005  0.0038 -3.6728 3  499.2490888 -59516140455 254 0    54 153 0      C-13-H3C(O)CH3
  541454.8005  0.0038 -3.6348 3  499.2490888 -59516140455 254 0    54 253 0      C-13-H3C(O)CH3
  541454.8005  0.0038 -3.6348 3  499.2490888 -59516140455 154 0    54 153 0      C-13-H3C(O)CH3
  541454.8005  0.0038 -3.6728 3  499.2490888 -59516140455 154 0    54 253 0      C-13-H3C(O)CH3
  541473.2428  0.0387 -5.7455 3  884.1102888  595161404554214 0    544311 0      C-13-H3C(O)CH3
  541473.2438  0.0387 -5.7455 3  884.1102888  595161404554213 0    544312 0      C-13-H3C(O)CH3
  541568.9698  0.0449 -5.7457 3  884.1361888  595161404554214 1    544311 1      C-13-H3C(O)CH3
  541651.8082  0.1297 -5.5623 3 1308.4435C72  595161404791664 0    791565 0      C-13-H3C(O)CH3
  541651.8082  0.1297 -5.5623 3 1308.4435C72  595161404791564 0    791465 0      C-13-H3C(O)CH3
  541652.7514  0.0255 -5.1196 3  576.7412372  595161404462819 3    452916 3      C-13-H3C(O)CH3
  541656.4168  0.0414 -5.7456 3  884.1338888  595161404554213 1    544312 1      C-13-H3C(O)CH3
  541666.5561  0.0300 -4.8267 3  576.7512744  595161404462819 2    452916 2      C-13-H3C(O)CH3
  541693.3694  0.0448 -5.7454 3  884.1457888  595161404554213 2    544311 2      C-13-H3C(O)CH3
  541756.9063  0.0439 -5.7458 3  884.1347888  595161404554214 2    544312 2      C-13-H3C(O)CH3
  541766.8087  0.1582 -6.2886 3 1308.4482C72  595161404791564 1    791565 1      C-13-H3C(O)CH3
  541766.8087  0.1582 -5.6088 3 1308.4482C72  595161404791664 1    791565 1      C-13-H3C(O)CH3
  541766.8087  0.1582 -6.2886 3 1308.4482C72  595161404791664 1    791465 1      C-13-H3C(O)CH3
  541766.8087  0.1582 -5.6088 3 1308.4482C72  595161404791564 1    791465 1      C-13-H3C(O)CH3
  541770.4936  0.1582 -5.6406 3 1308.4482C72  595161404791664 2    791565 2      C-13-H3C(O)CH3
  541770.4936  0.1582 -6.1622 3 1308.4482C72  595161404791664 2    791465 2      C-13-H3C(O)CH3
  541770.4936  0.1582 -6.1622 3 1308.4482C72  595161404791564 2    791565 2      C-13-H3C(O)CH3
  541770.4936  0.1582 -5.6406 3 1308.4482C72  595161404791564 2    791465 2      C-13-H3C(O)CH3
  541789.3825  0.0579 -6.0467 3  884.1716444  595161404554213 3    544311 3      C-13-H3C(O)CH3
  541823.0875  0.0852 -5.5224 3  608.8855380  595161404473018 4    463115 4      C-13-H3C(O)CH3
  541843.0032  0.0162 -4.8231 3  576.7480744  595161404462819 1    452916 1      C-13-H3C(O)CH3
  541854.4608  0.0597 -6.0470 3  884.1605444  595161404554214 4    544312 4      C-13-H3C(O)CH3
  541875.9199  0.0104 -6.0551 3  412.8975648  595161404401921 0    401624 0      C-13-H3C(O)CH3
  541876.6905  0.0566 -6.0466 3  884.1693444  595161404554213 4    544311 4      C-13-H3C(O)CH3
  541882.0230  0.0104 -6.0551 3  412.8975648  595161404402021 0    401724 0      C-13-H3C(O)CH3
  541885.6485  0.0987 -5.8407 3 1308.4530636  595161404791664 3    791465 3      C-13-H3C(O)CH3
  541885.6485  0.0987 -5.8407 3 1308.4530636  595161404791564 3    791565 3      C-13-H3C(O)CH3
  541885.8695  0.0987 -5.9839 3 1308.4530636  595161404791564 4    791565 4      C-13-H3C(O)CH3
  541885.8695  0.0987 -6.3459 3 1308.4530636  595161404791564 4    791465 4      C-13-H3C(O)CH3
  541885.8695  0.0987 -5.9839 3 1308.4530636  595161404791664 4    791465 4      C-13-H3C(O)CH3
  541885.8695  0.0987 -6.3459 3 1308.4530636  595161404791664 4    791565 4      C-13-H3C(O)CH3
  541908.3311  0.0122 -6.0556 3  412.8686648  595161404401921 2    401624 2      C-13-H3C(O)CH3
  541914.8146  0.0122 -6.0556 3  412.8686648  595161404402021 2    401724 2      C-13-H3C(O)CH3
  541940.8642  0.0555 -6.0469 3  884.1583444  595161404554214 3    544312 3      C-13-H3C(O)CH3
  541944.5575  0.0115 -6.0544 3  412.8706648  595161404401921 1    401624 1      C-13-H3C(O)CH3
  541950.8157  0.0115 -6.0543 3  412.8706648  595161404402021 1    401724 1      C-13-H3C(O)CH3
  541977.1717  0.0128 -6.3556 3  412.8415324  595161404401921 3    401624 3      C-13-H3C(O)CH3
  541977.1850  0.0128 -6.3556 3  412.8415324  595161404401921 4    401624 4      C-13-H3C(O)CH3
  541983.8133  0.0128 -6.3556 3  412.8415324  595161404402021 4    401724 4      C-13-H3C(O)CH3
  541983.8225  0.0128 -6.3556 3  412.8415324  595161404402021 3    401724 3      C-13-H3C(O)CH3
  541994.8489  0.0044 -3.4876 3  235.8030228  5951614042825 3 4    2724 3 4      C-13-H3C(O)CH3
  541997.4429  0.0138 -4.8200 3  576.7537744  595161404462819 0    452916 0      C-13-H3C(O)CH3
  542009.4451  0.0137 -6.0517 3  100.4258156  5951614041917 2 3    1814 4 3      C-13-H3C(O)CH3
  542053.0741  0.0141 -6.0340 3  100.3532156  5951614041917 3 4    1814 5 4      C-13-H3C(O)CH3
  542095.5885  0.0036 -3.8139 3  476.9588388 -595161404481039 3    471038 3      C-13-H3C(O)CH3
  542095.5885  0.0036 -6.0706 3  476.9588388 -595161404481039 4    47 938 4      C-13-H3C(O)CH3
  542095.5885  0.0036 -3.7708 3  476.9588388 -595161404481039 4    471038 4      C-13-H3C(O)CH3
  542095.5885  0.0036 -4.7735 3  476.9588388 -595161404481039 3    47 938 3      C-13-H3C(O)CH3
  542095.5885  0.0036 -3.7708 3  476.9588388 -59516140448 939 4    47 938 4      C-13-H3C(O)CH3
  542095.5885  0.0036 -4.7735 3  476.9588388 -59516140448 939 3    471038 3      C-13-H3C(O)CH3
  542095.5885  0.0036 -6.0706 3  476.9588388 -59516140448 939 4    471038 4      C-13-H3C(O)CH3
  542095.5885  0.0036 -3.8139 3  476.9588388 -59516140448 939 3    47 938 3      C-13-H3C(O)CH3
  542110.9521  0.0048 -5.5449 3  476.9872776 -59516140448 939 1    471038 1      C-13-H3C(O)CH3
  542110.9521  0.0048 -3.4713 3  476.9872776 -595161404481039 1    471038 1      C-13-H3C(O)CH3
  542110.9521  0.0048 -5.5449 3  476.9872776 -595161404481039 1    47 938 1      C-13-H3C(O)CH3
  542110.9521  0.0048 -3.4713 3  476.9872776 -59516140448 939 1    47 938 1      C-13-H3C(O)CH3
  542111.9707  0.0047 -3.6651 3  476.9866776 -595161404481039 2    47 938 2      C-13-H3C(O)CH3
  542111.9707  0.0047 -3.9051 3  476.9866776 -59516140448 939 2    47 938 2      C-13-H3C(O)CH3
  542111.9707  0.0047 -3.6651 3  476.9866776 -59516140448 939 2    471038 2      C-13-H3C(O)CH3
  542111.9707  0.0047 -3.9051 3  476.9866776 -595161404481039 2    471038 2      C-13-H3C(O)CH3
  542127.1122  0.0033 -4.5779 3  477.0149776 -59516140448 939 0    47 938 0      C-13-H3C(O)CH3
  542127.1122  0.0033 -6.4088 3  477.0149776 -595161404481039 0    471038 0      C-13-H3C(O)CH3
  542127.1122  0.0033 -3.5028 3  477.0149776 -59516140448 939 0    471038 0      C-13-H3C(O)CH3
  542127.1122  0.0033 -3.4682 3  477.0149776 -595161404481039 0    47 938 0      C-13-H3C(O)CH3
  542145.2257  0.0037 -3.1863 3  235.8332456 -5951614042825 3 1    2724 3 1      C-13-H3C(O)CH3
  542154.8645  0.0037 -3.1863 3  235.8516456 -5951614042825 3 2    2724 3 2      C-13-H3C(O)CH3
  542171.5018  0.1135 -5.4570 3 1261.0180C56  595161404781464 0    781365 0      C-13-H3C(O)CH3
  542171.5018  0.1135 -5.4570 3 1261.0180C56  595161404781564 0    781465 0      C-13-H3C(O)CH3
  542178.5140  0.0904 -6.2313 3  770.1108840  595161404523715 0    523418 0      C-13-H3C(O)CH3
  542187.9931  0.0042 -3.4873 3  235.7734228  5951614042825 4 3    2724 4 3      C-13-H3C(O)CH3
  542230.4343  0.0155 -6.0439 3  100.4885156  5951614041917 2 4    1814 4 4      C-13-H3C(O)CH3
  542251.1085  0.0043 -3.4871 3  235.7833228  5951614042825 3 3    2724 3 3      C-13-H3C(O)CH3
  542269.1220  0.0142 -6.0524 3  100.4160156  5951614041917 3 3    1814 5 3      C-13-H3C(O)CH3
  542270.4794  0.0249 -4.2563 3  246.4085244  595161404302110 4    2920 9 4      C-13-H3C(O)CH3
  542297.7560  0.0105 -3.8010 3  344.8125584  595161404362116 1    352015 1      C-13-H3C(O)CH3
  542303.4100  0.1373 -5.5519 3 1261.0172C56  595161404781564 1    781365 1      C-13-H3C(O)CH3
  542303.4100  0.1373 -6.1541 3 1261.0172C56  595161404781564 1    781465 1      C-13-H3C(O)CH3
  542303.4100  0.1373 -6.1541 3 1261.0172C56  595161404781464 1    781365 1      C-13-H3C(O)CH3
  542303.4100  0.1373 -5.5519 3 1261.0172C56  595161404781464 1    781465 1      C-13-H3C(O)CH3
  542305.5742  0.0033 -3.1860 3  235.8817456 -5951614042825 4 0    2724 3 0      C-13-H3C(O)CH3
  542305.5742  0.0033 -3.1860 3  235.8817456 -5951614042825 3 0    2724 4 0      C-13-H3C(O)CH3
  542305.7238  0.1377 -5.4550 3 1261.0171C56  595161404781564 2    781365 2      C-13-H3C(O)CH3
  542305.7238  0.1377 -5.4550 3 1261.0171C56  595161404781464 2    781465 2      C-13-H3C(O)CH3
  542342.5044  0.1499 -6.4228 3 1070.0451A16  595161404633429 1    623726 1      C-13-H3C(O)CH3
  542347.5584  0.0035 -3.1860 3  235.8220456 -5951614042825 4 2    2724 4 2      C-13-H3C(O)CH3
  542364.0171  0.1541 -6.4243 3 1070.0344A16  595161404633429 0    623726 0      C-13-H3C(O)CH3
  542383.8206  0.1196 -6.4227 3 1070.0463A16  595161404633429 2    623726 2      C-13-H3C(O)CH3
  542399.8357  0.0086 -3.8012 3  344.8308584  595161404362116 0    352015 0      C-13-H3C(O)CH3
  542401.0043  0.0035 -3.1858 3  235.8134456 -5951614042825 4 1    2724 4 1      C-13-H3C(O)CH3
  542426.9733  0.0735 -6.3720 3 1054.3212952  595161404594911 1    5850 9 1      C-13-H3C(O)CH3
  542436.0951  0.0105 -4.1019 3  344.7803292  595161404362116 4    352015 4      C-13-H3C(O)CH3
  542437.7934  0.0909 -5.8707 3 1261.0163628  595161404781564 3    781365 3      C-13-H3C(O)CH3
  542437.7934  0.0909 -5.8707 3 1261.0163628  595161404781464 3    781465 3      C-13-H3C(O)CH3
  542437.7934  0.0909 -6.3895 3 1261.0163628  595161404781464 3    781365 3      C-13-H3C(O)CH3
  542437.7934  0.0909 -6.3895 3 1261.0163628  595161404781564 3    781465 3      C-13-H3C(O)CH3
  542438.0275  0.0910 -5.7611 3 1261.0163628  595161404781564 4    781465 4      C-13-H3C(O)CH3
  542438.0275  0.0910 -5.7611 3 1261.0163628  595161404781464 4    781365 4      C-13-H3C(O)CH3
  542443.3535  0.0046 -3.4868 3  235.7537228  5951614042825 4 4    2724 4 4      C-13-H3C(O)CH3
  542446.0337  0.0131 -4.1019 3  344.7800292  595161404362116 3    352015 3      C-13-H3C(O)CH3
  542546.8766  0.0135 -3.7848 3  246.4232488  595161404302110 1    2920 9 1      C-13-H3C(O)CH3
  542547.5404  0.0101 -3.8011 3  344.7983584  595161404362116 2    352015 2      C-13-H3C(O)CH3
  542572.1788  0.0842 -6.3725 3 1054.3065952  595161404594911 2    5850 9 2      C-13-H3C(O)CH3
  542573.3012  0.0058 -3.6395 3  501.9327452 -59516140456 056 4    55 155 4      C-13-H3C(O)CH3
  542573.3012  0.0058 -3.6395 3  501.9327452 -59516140456 156 3    55 055 3      C-13-H3C(O)CH3
  542573.3381  0.0058 -3.6395 3  501.9327452  59516140456 156 4    55 055 4      C-13-H3C(O)CH3
  542573.3508  0.0058 -3.6395 3  501.9327452  59516140456 056 3    55 155 3      C-13-H3C(O)CH3
  542577.2818  0.0084 -3.3383 3  501.8673904 -59516140456 156 2    55 155 2      C-13-H3C(O)CH3
  542577.2818  0.0090 -3.3405 3  501.8676904 -59516140456 156 1    55 155 1      C-13-H3C(O)CH3
  542577.2818  0.0090 -5.6285 3  501.8676904 -59516140456 156 1    55 055 1      C-13-H3C(O)CH3
  542577.2818  0.0090 -5.6285 3  501.8676904 -59516140456 056 1    55 155 1      C-13-H3C(O)CH3
  542577.2818  0.0084 -3.3383 3  501.8673904 -59516140456 056 2    55 055 2      C-13-H3C(O)CH3
  542577.2818  0.0090 -3.3405 3  501.8676904 -59516140456 056 1    55 055 1      C-13-H3C(O)CH3
  542580.6147  0.0655 -5.1119 3  608.8665760  595161404473018 2    463115 2      C-13-H3C(O)CH3
  542581.1588  0.0066 -3.3480 3  501.8023904  59516140456 156 0    55 055 0      C-13-H3C(O)CH3
  542581.1588  0.0066 -3.3480 3  501.8023904  59516140456 056 0    55 155 0      C-13-H3C(O)CH3
  542581.2374  0.0066 -4.9828 3  501.8023904 -59516140456 156 0    55 155 0      C-13-H3C(O)CH3
  542581.2374  0.0066 -4.9828 3  501.8023904 -59516140456 056 0    55 055 0      C-13-H3C(O)CH3
  542612.5951  0.0703 -6.3717 3 1054.3049952  595161404594911 0    5850 8 0      C-13-H3C(O)CH3
  542612.5951  0.0703 -6.3717 3 1054.3049952  595161404594910 0    5850 9 0      C-13-H3C(O)CH3
  542629.2845  0.0987 -6.3416 3  770.1338840  595161404523715 1    523418 1      C-13-H3C(O)CH3
  542633.4770  0.0771 -6.3723 3 1054.3313952  595161404594910 1    5850 8 1      C-13-H3C(O)CH3
  542680.8780  0.0960 -5.4030 3 1214.1708C40  595161404771464 0    771365 0      C-13-H3C(O)CH3
  542680.8780  0.0960 -5.4030 3 1214.1708C40  595161404771364 0    771265 0      C-13-H3C(O)CH3
  542694.0710  0.0161 -3.9181 3  246.4012244  595161404302110 3    2920 9 3      C-13-H3C(O)CH3
  542773.0662  0.0070 -3.7723 3  362.6780600  595161404372117 1    362016 1      C-13-H3C(O)CH3
  542778.6376  0.0859 -6.3160 3  770.1421840  595161404523715 2    523418 2      C-13-H3C(O)CH3
  542795.0359  0.0123 -5.7417 3  100.4513312  5951614041917 2 1    1814 4 1      C-13-H3C(O)CH3
  542819.3091  0.0058 -3.7725 3  362.6991600  595161404372117 0    362016 0      C-13-H3C(O)CH3
  542824.7156  0.0125 -5.7372 3  100.3792312  5951614041917 3 1    1814 5 1      C-13-H3C(O)CH3
  542825.3121  0.1140 -5.4015 3 1214.1640C40  595161404771364 1    771265 1      C-13-H3C(O)CH3
  542825.3121  0.1140 -5.4499 3 1214.1640C40  595161404771464 1    771365 1      C-13-H3C(O)CH3
  542825.3121  0.1140 -6.2573 3 1214.1640C40  595161404771364 1    771365 1      C-13-H3C(O)CH3
  542826.4326  0.1146 -5.5454 3 1214.1639C40  595161404771364 2    771265 2      C-13-H3C(O)CH3
  542826.4326  0.1146 -5.5454 3 1214.1639C40  595161404771464 2    771365 2      C-13-H3C(O)CH3
  542826.4326  0.1146 -5.9020 3 1214.1639C40  595161404771464 2    771265 2      C-13-H3C(O)CH3
  542826.4326  0.1146 -5.9020 3 1214.1639C40  595161404771364 2    771365 2      C-13-H3C(O)CH3
  542846.2357  0.0924 -6.4574 3  854.3072452  595161404563324 4    563027 4      C-13-H3C(O)CH3
  542852.9446  0.0910 -6.4574 3  854.3072452  595161404563324 3    563027 3      C-13-H3C(O)CH3
  542853.1419  0.0894 -6.1569 3  854.3038904  595161404563324 2    563027 2      C-13-H3C(O)CH3
  542862.1693  0.0065 -4.0734 3  362.6467300  595161404372117 4    362016 4      C-13-H3C(O)CH3
  542868.2749  0.0082 -4.0734 3  362.6466300  595161404372117 3    362016 3      C-13-H3C(O)CH3
  542868.7665  0.0857 -6.1567 3  854.3037904  595161404563324 1    563027 1      C-13-H3C(O)CH3
  542870.0695  0.0782 -6.3723 3 1054.3258952  595161404594910 2    5850 8 2      C-13-H3C(O)CH3
  542874.5252  0.0826 -6.1572 3  854.3003904  595161404563324 0    563027 0      C-13-H3C(O)CH3
  542879.6488  0.0121 -5.7390 3  100.3903312  5951614041917 3 2    1814 5 2      C-13-H3C(O)CH3
  542884.9423  0.0057 -4.3902 3  156.7658204  595161404251412 4    241113 4      C-13-H3C(O)CH3
  542886.9857  0.0044 -4.3902 3  156.7658204  595161404251412 3    241113 3      C-13-H3C(O)CH3
  542901.9498  0.0096 -3.5227 3  246.4239488  595161404302110 2    2920 9 2      C-13-H3C(O)CH3
  542913.3296  0.1692 -5.9821 3  876.2359920  595161404573226 0    563323 0      C-13-H3C(O)CH3
  542913.9023  0.0066 -3.7726 3  362.6677600  595161404372117 2    362016 2      C-13-H3C(O)CH3
  542967.3197  0.0548 -5.2335 3  608.8542380  595161404473018 3    463115 3      C-13-H3C(O)CH3
  542971.0287  0.0830 -5.6941 3 1214.1570620  595161404771464 3    771265 3      C-13-H3C(O)CH3
  542971.0287  0.0830 -5.6941 3 1214.1570620  595161404771364 3    771365 3      C-13-H3C(O)CH3
  542971.2629  0.0831 -6.0907 3 1214.1570620  595161404771464 4    771265 4      C-13-H3C(O)CH3
  542971.2629  0.0831 -5.9063 3 1214.1570620  595161404771364 4    771265 4      C-13-H3C(O)CH3
  542971.2629  0.0831 -5.9063 3 1214.1570620  595161404771464 4    771365 4      C-13-H3C(O)CH3
  542971.2629  0.0831 -6.0907 3 1214.1570620  595161404771364 4    771365 4      C-13-H3C(O)CH3
  542999.7613  0.0030 -3.4516 3  246.4415488  595161404302110 0    2920 9 0      C-13-H3C(O)CH3
  543015.9025  0.0409 -5.0514 3  608.8507760  595161404473018 1    463115 1      C-13-H3C(O)CH3
  543019.3251  0.0042 -4.0889 3  156.7628408  595161404251412 2    241113 2      C-13-H3C(O)CH3
  543057.8745  0.0042 -4.0889 3  156.7661408  595161404251412 1    241113 1      C-13-H3C(O)CH3
  543091.9312  0.0116 -5.7442 3  100.4533312  5951614041917 2 2    1814 4 2      C-13-H3C(O)CH3
  543103.5530  0.0086 -3.8239 3  222.8568472  595161404291811 2    281712 2      C-13-H3C(O)CH3
  543172.5223  0.0035 -4.1139 3  483.9009396 -59516140449 841 4    48 940 4      C-13-H3C(O)CH3
  543172.5223  0.0035 -4.1139 3  483.9009396 -59516140449 941 4    48 840 4      C-13-H3C(O)CH3
  543172.5223  0.0035 -4.0072 3  483.9009396 -59516140449 841 4    48 840 4      C-13-H3C(O)CH3
  543172.5223  0.0035 -4.0072 3  483.9009396 -59516140449 941 4    48 940 4      C-13-H3C(O)CH3
  543172.5223  0.0035 -3.7563 3  483.9009396 -59516140449 841 3    48 940 3      C-13-H3C(O)CH3
  543172.5223  0.0035 -3.7563 3  483.9009396 -59516140449 941 3    48 840 3      C-13-H3C(O)CH3
  543175.1624  0.0071 -3.8241 3  222.8725472  595161404291811 0    281712 0      C-13-H3C(O)CH3
  543182.7036  0.0783 -5.3595 3 1167.9025C24  595161404761264 0    761165 0      C-13-H3C(O)CH3
  543182.7036  0.0783 -5.3458 3 1167.9025C24  595161404761364 0    761265 0      C-13-H3C(O)CH3
  543182.7036  0.0783 -6.4187 3 1167.9025C24  595161404761364 0    761165 0      C-13-H3C(O)CH3
  543190.7644  0.0044 -4.0886 3  156.7631408  595161404251412 0    241113 0      C-13-H3C(O)CH3
  543192.3055  0.0047 -3.7022 3  483.9278792 -59516140449 941 1    48 940 1      C-13-H3C(O)CH3
  543192.3055  0.0046 -3.4692 3  483.9273792 -59516140449 841 2    48 840 2      C-13-H3C(O)CH3
  543192.3055  0.0046 -4.9575 3  483.9273792 -59516140449 841 2    48 940 2      C-13-H3C(O)CH3
  543192.3055  0.0046 -4.9575 3  483.9273792 -59516140449 941 2    48 840 2      C-13-H3C(O)CH3
  543192.3055  0.0046 -3.4692 3  483.9273792 -59516140449 941 2    48 940 2      C-13-H3C(O)CH3
  543192.3055  0.0047 -3.8181 3  483.9278792 -59516140449 941 1    48 840 1      C-13-H3C(O)CH3
  543192.3055  0.0047 -3.8181 3  483.9278792 -59516140449 841 1    48 940 1      C-13-H3C(O)CH3
  543192.3055  0.0047 -3.7022 3  483.9278792 -59516140449 841 1    48 840 1      C-13-H3C(O)CH3
  543211.8454  0.0032 -4.4994 3  483.9541792 -59516140449 841 0    48 840 0      C-13-H3C(O)CH3
  543211.8454  0.0032 -4.4994 3  483.9541792 -59516140449 941 0    48 940 0      C-13-H3C(O)CH3
  543211.8454  0.0032 -3.4964 3  483.9541792 -59516140449 841 0    48 940 0      C-13-H3C(O)CH3
  543211.8454  0.0032 -3.4964 3  483.9541792 -59516140449 941 0    48 840 0      C-13-H3C(O)CH3
  543285.6003  0.0114 -4.1273 3  222.8455236  595161404291811 4    281712 4      C-13-H3C(O)CH3
  543295.7417  0.0116 -4.1272 3  222.8457236  595161404291811 3    281712 3      C-13-H3C(O)CH3
  543333.4700  0.0906 -6.0933 3 1167.8895C24  595161404761264 1    761165 1      C-13-H3C(O)CH3
  543333.4700  0.0906 -5.4035 3 1167.8895C24  595161404761264 1    761265 1      C-13-H3C(O)CH3
  543333.4700  0.0906 -6.0933 3 1167.8895C24  595161404761364 1    761265 1      C-13-H3C(O)CH3
  543333.4700  0.0906 -5.4035 3 1167.8895C24  595161404761364 1    761165 1      C-13-H3C(O)CH3
  543333.6596  0.0909 -5.7441 3 1167.8893C24  595161404761264 2    761165 2      C-13-H3C(O)CH3
  543333.6596  0.0909 -5.5298 3 1167.8893C24  595161404761264 2    761265 2      C-13-H3C(O)CH3
  543333.6596  0.0909 -5.7441 3 1167.8893C24  595161404761364 2    761265 2      C-13-H3C(O)CH3
  543333.6596  0.0909 -5.5298 3 1167.8893C24  595161404761364 2    761165 2      C-13-H3C(O)CH3
  543350.3262  0.0043 -3.9168 3  246.4085244  5951614043021 9 4    2920 9 4      C-13-H3C(O)CH3
  543358.7925  0.0087 -3.8263 3  222.8614472  595161404291811 1    281712 1      C-13-H3C(O)CH3
  543370.3313  0.0054 -4.2551 3  246.4012244  5951614043021 9 3    2920 9 3      C-13-H3C(O)CH3
  543396.7995  0.0040 -3.5908 3  240.0868236  5951614042923 6 4    2822 6 4      C-13-H3C(O)CH3
  543408.1453  0.0034 -3.7239 3  246.4232488  5951614043021 9 1    2920 9 1      C-13-H3C(O)CH3
  543438.6854  0.0034 -4.2731 3  246.4239488  5951614043021 9 2    2920 9 2      C-13-H3C(O)CH3
  543439.5926  0.0399 -5.3480 3  770.0961840  595161404523716 2    513814 2      C-13-H3C(O)CH3
  543484.5815  0.0753 -5.6292 3 1167.8763612  595161404761364 3    761165 3      C-13-H3C(O)CH3
  543484.5815  0.0753 -5.6292 3 1167.8763612  595161404761264 3    761265 3      C-13-H3C(O)CH3
  543484.7969  0.0753 -5.7789 3 1167.8762612  595161404761264 4    761265 4      C-13-H3C(O)CH3
  543484.7969  0.0753 -5.7789 3 1167.8762612  595161404761364 4    761165 4      C-13-H3C(O)CH3
  543484.7969  0.0753 -6.1454 3 1167.8762612  595161404761264 4    761165 4      C-13-H3C(O)CH3
  543484.7969  0.0753 -6.1454 3 1167.8762612  595161404761364 4    761265 4      C-13-H3C(O)CH3
  543499.0607  0.0422 -5.6490 3  770.1107420  595161404523716 4    513814 4      C-13-H3C(O)CH3
  543501.5526  0.0402 -5.3482 3  770.0666840  595161404523716 0    513813 0      C-13-H3C(O)CH3
  543504.6416  0.0402 -5.3482 3  770.0666840  595161404523715 0    513814 0      C-13-H3C(O)CH3
  543505.0475  0.0258 -4.8630 3  608.8372760  595161404473018 0    463115 0      C-13-H3C(O)CH3
  543518.0306  0.0034 -3.2895 3  240.1022472 -5951614042923 6 1    2822 6 1      C-13-H3C(O)CH3
  543543.3221  0.0037 -3.5908 3  240.0622236  5951614042923 6 3    2822 6 3      C-13-H3C(O)CH3
  543561.9384  0.0424 -5.3482 3  770.0813840  595161404523716 1    513814 1      C-13-H3C(O)CH3
  543569.5981  0.0035 -3.2893 3  240.1137472 -5951614042923 6 2    2822 6 2      C-13-H3C(O)CH3
  543583.2207  0.0401 -5.9935 3  608.8337380  595161404473018 3    463116 3      C-13-H3C(O)CH3
  543602.3189  0.0037 -3.5904 3  240.0574236  5951614042923 7 3    2822 7 3      C-13-H3C(O)CH3
  543607.4139  0.0127 -5.7426 3  100.4177312  5951614041917 3 0    1814 4 0      C-13-H3C(O)CH3
  543612.9661  0.0396 -5.6492 3  770.1283420  595161404523716 3    513813 3      C-13-H3C(O)CH3
  543625.5223  0.1548 -5.9768 3  876.2163920  595161404573226 1    563323 1      C-13-H3C(O)CH3
  543677.3281  0.0397 -5.3482 3  770.0988840  595161404523715 1    513813 1      C-13-H3C(O)CH3
  543680.0908  0.0616 -5.8524 3 1122.2133C08  595161404751264 0    751065 0      C-13-H3C(O)CH3
  543680.0908  0.0616 -5.8524 3 1122.2133C08  595161404751164 0    751165 0      C-13-H3C(O)CH3
  543680.0908  0.0616 -5.3924 3 1122.2133C08  595161404751264 0    751165 0      C-13-H3C(O)CH3
  543680.0908  0.0616 -5.3924 3 1122.2133C08  595161404751164 0    751065 0      C-13-H3C(O)CH3
  543689.1249  0.0029 -3.2890 3  240.1289472 -5951614042923 7 0    2822 6 0      C-13-H3C(O)CH3
  543691.1418  0.0029 -3.2890 3  240.1289472 -5951614042923 6 0    2822 7 0      C-13-H3C(O)CH3
  543701.7578  0.0126 -5.7425 3  100.4146312  5951614041917 2 0    1814 5 0      C-13-H3C(O)CH3
  543702.5495  0.2469 -5.9761 3  876.2140920  595161404573226 2    563323 2      C-13-H3C(O)CH3
  543715.2400  0.0031 -3.2892 3  240.0891472 -5951614042923 7 2    2822 7 2      C-13-H3C(O)CH3
  543722.4886  0.0029 -3.2891 3  240.0729472 -5951614042923 7 1    2822 7 1      C-13-H3C(O)CH3
  543748.5136  0.0034 -3.5903 3  240.0329236  5951614042923 7 4    2822 7 4      C-13-H3C(O)CH3
  543752.8540  0.0373 -5.3481 3  770.1096840  595161404523715 2    513813 2      C-13-H3C(O)CH3
  543786.5378  0.1780 -6.4569 3 1849.9374E48  595161404902665 2    902466 2      C-13-H3C(O)CH3
  543786.5378  0.1780 -6.4569 3 1849.9374E48  595161404902565 2    902566 2      C-13-H3C(O)CH3
  543811.2516  0.0370 -5.6493 3  770.1242420  595161404523715 3    513814 3      C-13-H3C(O)CH3
  543828.5127  0.0700 -5.3021 3 1122.1941C08  595161404751264 2    751065 2      C-13-H3C(O)CH3
  543828.5127  0.0700 -6.3256 3 1122.1941C08  595161404751264 2    751165 2      C-13-H3C(O)CH3
  543828.5127  0.0700 -6.3256 3 1122.1941C08  595161404751164 2    751065 2      C-13-H3C(O)CH3
  543828.5127  0.0700 -5.3021 3 1122.1941C08  595161404751164 2    751165 2      C-13-H3C(O)CH3
  543828.9268  0.0703 -5.3950 3 1122.1943C08  595161404751264 1    751165 1      C-13-H3C(O)CH3
  543828.9268  0.0703 -5.8438 3 1122.1943C08  595161404751164 1    751165 1      C-13-H3C(O)CH3
  543828.9268  0.0703 -5.3950 3 1122.1943C08  595161404751164 1    751065 1      C-13-H3C(O)CH3
  543828.9268  0.0703 -5.8438 3 1122.1943C08  595161404751264 1    751065 1      C-13-H3C(O)CH3
  543837.6054  0.2008 -6.4496 3 1849.9180E48  595161404902565 0    902466 0      C-13-H3C(O)CH3
  543837.6054  0.2008 -6.4496 3 1849.9180E48  595161404902665 0    902566 0      C-13-H3C(O)CH3
  543884.4825  0.0055 -4.2538 3  246.3615244  595161404302110 3    292010 3      C-13-H3C(O)CH3
  543886.1496  0.0055 -5.2389 3  124.6376180  5951614042215 7 3    211210 3      C-13-H3C(O)CH3
  543906.8177  0.0047 -3.9170 3  246.3540244  595161404302110 4    292010 4      C-13-H3C(O)CH3
  543923.2425  0.0038 -3.7236 3  246.3772488  595161404302110 1    292010 1      C-13-H3C(O)CH3
  543927.4779  0.0435 -5.6491 3  770.1418420  595161404523715 4    513813 4      C-13-H3C(O)CH3
  543977.4894  0.0679 -6.4367 3 1122.1751604  595161404751164 3    751165 3      C-13-H3C(O)CH3
  543977.4894  0.0679 -5.6259 3 1122.1751604  595161404751164 3    751065 3      C-13-H3C(O)CH3
  543977.4894  0.0679 -6.4367 3 1122.1751604  595161404751264 3    751065 3      C-13-H3C(O)CH3
  543977.4894  0.0679 -5.6259 3 1122.1751604  595161404751264 3    751165 3      C-13-H3C(O)CH3
  543977.6611  0.0679 -5.5789 3 1122.1750604  595161404751264 4    751065 4      C-13-H3C(O)CH3
  543977.6611  0.0679 -5.5789 3 1122.1750604  595161404751164 4    751165 4      C-13-H3C(O)CH3
  543994.4732  0.0621 -6.1769 3 1007.7493936  595161404584712 1    574810 1      C-13-H3C(O)CH3
  544012.0573  0.0880 -6.2288 3  770.0496840  595161404523716 0    523419 0      C-13-H3C(O)CH3
  544023.7899  0.0036 -4.2738 3  246.3865488  595161404302110 2    292010 2      C-13-H3C(O)CH3
  544083.3744  0.0841 -6.4786 3 1007.7549468  595161404584712 4    574810 4      C-13-H3C(O)CH3
  544085.0086  0.0347 -5.2225 3  608.8163760  595161404473018 2    463116 2      C-13-H3C(O)CH3
  544096.1338  0.0514 -6.1766 3 1007.7315936  595161404584712 0    574810 0      C-13-H3C(O)CH3
  544096.1338  0.0514 -6.1766 3 1007.7315936  595161404584711 0    5748 9 0      C-13-H3C(O)CH3
  544115.0233  0.0039 -3.6408 3  407.1229648  595161404401822 1    391921 1      C-13-H3C(O)CH3
  544117.6018  0.0032 -3.6409 3  407.1484648  595161404401822 0    391921 0      C-13-H3C(O)CH3
  544117.6678  0.0039 -3.6408 3  407.1228648  595161404401922 1    391821 1      C-13-H3C(O)CH3
  544120.1772  0.0032 -3.6409 3  407.1483648  595161404401922 0    391821 0      C-13-H3C(O)CH3
  544122.9929  0.0040 -3.9418 3  407.0943324  595161404401822 4    391921 4      C-13-H3C(O)CH3
  544123.0764  0.0040 -3.9418 3  407.0943324  595161404401822 3    391921 3      C-13-H3C(O)CH3
  544125.6751  0.0040 -3.6409 3  407.1198648  595161404401822 2    391921 2      C-13-H3C(O)CH3
  544125.8079  0.0040 -3.9418 3  407.0942324  595161404401922 4    391821 4      C-13-H3C(O)CH3
  544125.9028  0.0040 -3.9418 3  407.0942324  595161404401922 3    391821 3      C-13-H3C(O)CH3
  544128.4263  0.0040 -3.6409 3  407.1198648  595161404401922 2    391821 2      C-13-H3C(O)CH3
  544136.4130  0.0283 -5.3164 3  608.8134760  595161404473018 1    463116 1      C-13-H3C(O)CH3
  544143.9312  0.0855 -6.3414 3  770.0619840  595161404523716 1    523419 1      C-13-H3C(O)CH3
  544176.5139  0.0479 -5.2585 3 1077.1036B92  595161404741164 0    741065 0      C-13-H3C(O)CH3
  544176.5139  0.0479 -6.1658 3 1077.1036B92  595161404741064 0    741065 0      C-13-H3C(O)CH3
  544176.5139  0.0479 -5.2585 3 1077.1036B92  595161404741064 0    74 965 0      C-13-H3C(O)CH3
  544176.5139  0.0479 -6.1658 3 1077.1036B92  595161404741164 0    74 965 0      C-13-H3C(O)CH3
  544183.7960  0.0664 -6.1772 3 1007.7372936  595161404584712 2    574810 2      C-13-H3C(O)CH3
  544184.6265  0.0065 -4.6967 3  116.6393188  59516140423 815 4    22 716 4      C-13-H3C(O)CH3
  544184.6398  0.0048 -4.6967 3  116.6392188  59516140423 815 3    22 716 3      C-13-H3C(O)CH3
  544184.7113  0.0065 -4.6967 3  116.6393188  59516140423 915 4    22 616 4      C-13-H3C(O)CH3
  544184.7254  0.0048 -4.6967 3  116.6392188  59516140423 915 3    22 616 3      C-13-H3C(O)CH3
  544203.1534  0.0646 -6.1770 3 1007.7573936  595161404584711 1    5748 9 1      C-13-H3C(O)CH3
  544208.2320  0.0383 -6.3525 3  563.1716728  595161404453015 0    452520 0      C-13-H3C(O)CH3
  544225.7218  0.2549 -6.4341 3 1075.6383A00  595161404624122 0    623825 0      C-13-H3C(O)CH3
  544262.4376  0.0033 -3.8373 3  490.2998404 -59516140450 743 4    49 842 4      C-13-H3C(O)CH3
  544262.4376  0.0033 -4.4580 3  490.2998404 -59516140450 843 4    49 842 4      C-13-H3C(O)CH3
  544262.4376  0.0033 -3.7455 3  490.2998404 -59516140450 843 3    49 742 3      C-13-H3C(O)CH3
  544262.4376  0.0033 -6.2220 3  490.2998404 -59516140450 843 3    49 842 3      C-13-H3C(O)CH3
  544262.4376  0.0033 -3.7455 3  490.2998404 -59516140450 743 3    49 842 3      C-13-H3C(O)CH3
  544262.4376  0.0033 -4.4580 3  490.2998404 -59516140450 743 4    49 742 4      C-13-H3C(O)CH3
  544262.4376  0.0033 -3.8373 3  490.2998404 -59516140450 843 4    49 742 4      C-13-H3C(O)CH3
  544262.4376  0.0033 -6.2220 3  490.2998404 -59516140450 743 3    49 742 3      C-13-H3C(O)CH3
  544286.0041  0.0045 -5.2051 3  490.3238808 -59516140450 843 2    49 842 2      C-13-H3C(O)CH3
  544286.0041  0.0046 -3.7940 3  490.3243808 -59516140450 843 1    49 842 1      C-13-H3C(O)CH3
  544286.0041  0.0045 -5.2051 3  490.3238808 -59516140450 743 2    49 742 2      C-13-H3C(O)CH3
  544286.0041  0.0046 -3.6993 3  490.3243808 -59516140450 843 1    49 742 1      C-13-H3C(O)CH3
  544286.0041  0.0046 -3.7940 3  490.3243808 -59516140450 743 1    49 742 1      C-13-H3C(O)CH3
  544286.0041  0.0046 -3.6993 3  490.3243808 -59516140450 743 1    49 842 1      C-13-H3C(O)CH3
  544286.0041  0.0045 -3.4506 3  490.3238808 -59516140450 743 2    49 842 2      C-13-H3C(O)CH3
  544286.0041  0.0045 -3.4506 3  490.3238808 -59516140450 843 2    49 742 2      C-13-H3C(O)CH3
  544289.3072  0.0041 -6.4369 3  258.4220504  595161404312011 1    301911 1      C-13-H3C(O)CH3
  544292.4554  0.0832 -6.4787 3 1007.7629468  595161404584712 3    574810 3      C-13-H3C(O)CH3
  544293.4163  0.0787 -6.4783 3 1007.7758468  595161404584711 3    5748 9 3      C-13-H3C(O)CH3
  544309.2839  0.0032 -5.3094 3  490.3483808  59516140450 743 0    49 742 0      C-13-H3C(O)CH3
  544309.3121  0.0032 -5.3094 3  490.3483808 -59516140450 843 0    49 842 0      C-13-H3C(O)CH3
  544309.3121  0.0032 -3.4490 3  490.3483808 -59516140450 843 0    49 742 0      C-13-H3C(O)CH3
  544309.3121  0.0032 -3.4490 3  490.3483808 -59516140450 743 0    49 842 0      C-13-H3C(O)CH3
  544312.1680  0.0570 -5.5947 3 1077.0791B92  595161404741164 2    74 965 2      C-13-H3C(O)CH3
  544312.1680  0.0570 -5.5947 3 1077.0791B92  595161404741064 2    741065 2      C-13-H3C(O)CH3
  544312.1680  0.0570 -5.4367 3 1077.0791B92  595161404741164 2    741065 2      C-13-H3C(O)CH3
  544312.1680  0.0570 -5.4367 3 1077.0791B92  595161404741064 2    74 965 2      C-13-H3C(O)CH3
  544312.8219  0.0580 -6.3634 3 1077.0792B92  595161404741164 1    741065 1      C-13-H3C(O)CH3
  544312.8219  0.0580 -6.3634 3 1077.0792B92  595161404741064 1    74 965 1      C-13-H3C(O)CH3
  544312.8219  0.0580 -5.2390 3 1077.0792B92  595161404741064 1    741065 1      C-13-H3C(O)CH3
  544312.8219  0.0580 -5.2390 3 1077.0792B92  595161404741164 1    74 965 1      C-13-H3C(O)CH3
  544315.1840  0.0391 -5.4136 3  608.8024380  595161404473018 4    463116 4      C-13-H3C(O)CH3
  544316.0632  0.0057 -4.9575 3  124.6283360  5951614042215 7 1    211210 1      C-13-H3C(O)CH3
  544342.5481  0.0056 -4.9483 3  124.6246360  5951614042215 7 2    211210 2      C-13-H3C(O)CH3
  544361.0674  0.0079 -5.2932 3  124.6374180  5951614042215 7 4    211210 4      C-13-H3C(O)CH3
  544367.9925  0.0037 -3.6836 3  394.3271632  595161404391920 1    382019 1      C-13-H3C(O)CH3
  544373.9428  0.0038 -3.9847 3  394.2985316  595161404391920 4    382019 4      C-13-H3C(O)CH3
  544373.9779  0.0038 -3.9847 3  394.2985316  595161404391920 3    382019 3      C-13-H3C(O)CH3
  544374.1581  0.0632 -6.3519 3  701.1478412  595161404512823 3    512526 3      C-13-H3C(O)CH3
  544374.6111  0.0496 -5.4289 3  701.5937404  595161404503417 4    493515 4      C-13-H3C(O)CH3
  544375.7191  0.0637 -6.3519 3  701.1478412  595161404512823 4    512526 4      C-13-H3C(O)CH3
  544377.3534  0.0031 -3.6837 3  394.3514632  595161404391920 0    382019 0      C-13-H3C(O)CH3
  544383.4326  0.0039 -3.6837 3  394.3229632  595161404391920 2    382019 2      C-13-H3C(O)CH3
  544393.7777  0.0162 -6.0014 3  562.1685744  595161404462422 0    462125 0      C-13-H3C(O)CH3
  544394.0292  0.0659 -6.1769 3 1007.7580936  595161404584711 2    5748 9 2      C-13-H3C(O)CH3
  544394.3393  0.0033 -3.6094 3  419.2684664  595161404411724 0    401823 0      C-13-H3C(O)CH3
  544394.3796  0.0033 -3.6094 3  419.2684664  595161404411824 0    401723 0      C-13-H3C(O)CH3
  544394.8161  0.0041 -3.6094 3  419.2421664  595161404411724 1    401823 1      C-13-H3C(O)CH3
  544394.8585  0.0041 -3.6094 3  419.2421664  595161404411824 1    401723 1      C-13-H3C(O)CH3
  544401.5884  0.0944 -6.3167 3  770.0640840  595161404523716 2    523419 2      C-13-H3C(O)CH3
  544402.0914  0.0042 -3.6094 3  419.2398664  595161404411724 2    401823 2      C-13-H3C(O)CH3
  544402.1358  0.0042 -3.6094 3  419.2398664  595161404411824 2    401723 2      C-13-H3C(O)CH3
  544402.5062  0.0041 -3.9104 3  419.2133332  595161404411724 4    401823 4      C-13-H3C(O)CH3
  544402.5527  0.0041 -3.9104 3  419.2133332  595161404411824 4    401723 4      C-13-H3C(O)CH3
  544402.5680  0.0042 -3.9104 3  419.2134332  595161404411724 3    401823 3      C-13-H3C(O)CH3
  544402.6149  0.0042 -3.9104 3  419.2134332  595161404411824 3    401723 3      C-13-H3C(O)CH3
  544410.1968  0.2319 -6.2719 3  876.1946460  595161404573226 4    563323 4      C-13-H3C(O)CH3
  544411.2240  0.0617 -6.0515 3  701.1549824  595161404512823 2    512526 2      C-13-H3C(O)CH3
  544421.7198  0.2340 -6.2718 3  876.1942460  595161404573226 3    563323 3      C-13-H3C(O)CH3
  544435.0578  0.0245 -6.0013 3  562.1480744  595161404462422 2    462125 2      C-13-H3C(O)CH3
  544435.8451  0.0136 -6.4474 3   91.3354156  5951614041914 6 4    18 9 9 4      C-13-H3C(O)CH3
  544446.9437  0.0456 -5.1290 3  701.5900808  595161404503417 2    493515 2      C-13-H3C(O)CH3
  544448.5939  0.0611 -5.5256 3 1077.0546596  595161404741064 3    741065 3      C-13-H3C(O)CH3
  544448.5939  0.0611 -5.5256 3 1077.0546596  595161404741164 3    74 965 3      C-13-H3C(O)CH3
  544448.6909  0.0611 -5.5163 3 1077.0545596  595161404741164 4    74 965 4      C-13-H3C(O)CH3
  544448.6909  0.0611 -5.5163 3 1077.0545596  595161404741064 4    741065 4      C-13-H3C(O)CH3
  544457.4987  0.0385 -6.0511 3  701.1559824  595161404512823 1    512526 1      C-13-H3C(O)CH3
  544476.7532  0.0174 -6.0005 3  562.1498744  595161404462422 1    462125 1      C-13-H3C(O)CH3
  544483.0332  0.0037 -3.6834 3  394.3241632  595161404392020 1    381919 1      C-13-H3C(O)CH3
  544491.1796  0.0031 -3.6835 3  394.3484632  595161404392020 0    381919 0      C-13-H3C(O)CH3
  544492.7056  0.0376 -6.0518 3  701.1630824  595161404512823 0    512526 0      C-13-H3C(O)CH3
  544493.7143  0.0038 -3.9845 3  394.2953316  595161404392020 4    381919 4      C-13-H3C(O)CH3
  544494.0309  0.0038 -3.9845 3  394.2954316  595161404392020 3    381919 3      C-13-H3C(O)CH3
  544501.2651  0.0048 -4.3949 3  116.6163376  59516140423 815 2    22 716 2      C-13-H3C(O)CH3
  544501.3539  0.0048 -4.3949 3  116.6163376  59516140423 915 2    22 616 2      C-13-H3C(O)CH3
  544501.7222  0.1706 -6.4328 3 1796.1821E32  595161404892465 1    892466 1      C-13-H3C(O)CH3
  544502.1816  0.0038 -3.6835 3  394.3198632  595161404392020 2    381919 2      C-13-H3C(O)CH3
  544502.4470  0.0866 -6.4784 3 1007.7837468  595161404584711 4    5748 9 4      C-13-H3C(O)CH3
  544510.0271  0.1691 -6.4425 3 1796.1856E32  595161404892565 2    892366 2      C-13-H3C(O)CH3
  544510.0271  0.1691 -6.3648 3 1796.1856E32  595161404892465 2    892466 2      C-13-H3C(O)CH3
  544510.2084  0.0055 -4.9341 3  124.6154360  5951614042215 7 0    211210 0      C-13-H3C(O)CH3
  544518.0209  0.0257 -6.3014 3  562.1292372  595161404462422 3    462125 3      C-13-H3C(O)CH3
  544518.4029  0.0048 -4.3951 3  116.6173376  59516140423 815 1    22 716 1      C-13-H3C(O)CH3
  544518.4873  0.0048 -4.3951 3  116.6173376  59516140423 915 1    22 616 1      C-13-H3C(O)CH3
  544518.5219  0.0260 -6.3014 3  562.1292372  595161404462422 4    462125 4      C-13-H3C(O)CH3
  544536.4516  0.0029 -3.4497 3  246.4062488  5951614043021 9 0    292010 0      C-13-H3C(O)CH3
  544538.0299  0.0046 -4.0548 3  380.7547308  595161404382018 3    372117 3      C-13-H3C(O)CH3
  544539.5777  0.0046 -4.0548 3  380.7547308  595161404382018 4    372117 4      C-13-H3C(O)CH3
  544542.9684  0.0433 -5.4587 3  701.6209404  595161404503417 3    493515 3      C-13-H3C(O)CH3
  544551.8971  0.1869 -6.3624 3 1796.1642E32  595161404892465 0    892466 0      C-13-H3C(O)CH3
  544551.8971  0.1869 -6.3624 3 1796.1642E32  595161404892565 0    892366 0      C-13-H3C(O)CH3
  544560.5255  0.0090 -3.5206 3  246.3865488  5951614043021 9 2    292010 2      C-13-H3C(O)CH3
  544560.7428  0.0157 -3.9159 3  246.3615244  5951614043021 9 3    292010 3      C-13-H3C(O)CH3
  544562.8646  0.0047 -3.7538 3  380.7773616  595161404382018 2    372117 2      C-13-H3C(O)CH3
  544566.4321  0.0039 -3.7535 3  380.7830616  595161404382018 1    372117 1      C-13-H3C(O)CH3
  544581.1842  0.3339 -6.4123 3 1051.0806A00  595161404623626 1    623329 1      C-13-H3C(O)CH3
  544590.8200  0.0036 -3.7535 3  380.8056616  595161404382018 0    372117 0      C-13-H3C(O)CH3
  544602.1297  0.0161 -6.0011 3  562.1685744  595161404462522 0    462225 0      C-13-H3C(O)CH3
  544611.1957  0.1507 -6.3018 3  916.2825920  595161404573919 0    573622 0      C-13-H3C(O)CH3
  544641.1856  0.0434 -5.1302 3  701.5784808  595161404503417 1    493515 1      C-13-H3C(O)CH3
  544642.6414  0.0424 -5.1275 3  701.5748808  595161404503417 0    493514 0      C-13-H3C(O)CH3
  544654.7083  0.0237 -6.0010 3  562.1480744  595161404462522 2    462225 2      C-13-H3C(O)CH3
  544675.8201  0.0393 -5.6742 3 1032.5737B76  595161404731064 0    73 965 0      C-13-H3C(O)CH3
  544675.8201  0.0393 -5.6742 3 1032.5737B76  59516140473 964 0    73 865 0      C-13-H3C(O)CH3
  544675.8201  0.0393 -5.3159 3 1032.5737B76  595161404731064 0    73 865 0      C-13-H3C(O)CH3
  544675.8201  0.0393 -5.3159 3 1032.5737B76  59516140473 964 0    73 965 0      C-13-H3C(O)CH3
  544682.0549  0.4784 -6.4124 3 1051.0826A00  595161404623626 2    623329 2      C-13-H3C(O)CH3
  544692.2011  0.0176 -6.0003 3  562.1498744  595161404462522 1    462225 1      C-13-H3C(O)CH3
  544745.2215  0.0250 -6.3011 3  562.1292372  595161404462522 4    462225 4      C-13-H3C(O)CH3
  544745.2224  0.0248 -6.3011 3  562.1292372  595161404462522 3    462225 3      C-13-H3C(O)CH3
  544757.4962  0.0311 -5.4587 3  701.6247404  595161404503416 3    493514 3      C-13-H3C(O)CH3
  544784.5112  0.0125 -3.7819 3  246.3772488  5951614043021 9 1    292010 1      C-13-H3C(O)CH3
  544785.8701  0.0561 -5.1638 3 1032.5448B76  595161404731064 2    73 865 2      C-13-H3C(O)CH3
  544785.8701  0.0561 -5.1638 3 1032.5448B76  59516140473 964 2    73 965 2      C-13-H3C(O)CH3
  544786.3987  0.0574 -5.1628 3 1032.5449B76  595161404731064 1    73 965 1      C-13-H3C(O)CH3
  544786.3987  0.0574 -5.1628 3 1032.5449B76  59516140473 964 1    73 865 1      C-13-H3C(O)CH3
  544805.3412  0.0426 -5.1272 3  701.5746808  595161404503416 0    493515 0      C-13-H3C(O)CH3
  544819.4500  0.0356 -5.1288 3  701.6210808  595161404503416 2    493514 2      C-13-H3C(O)CH3
  544834.3436  0.0048 -4.3942 3  116.5944376  59516140423 815 0    22 716 0      C-13-H3C(O)CH3
  544834.4315  0.0048 -4.3942 3  116.5944376  59516140423 915 0    22 616 0      C-13-H3C(O)CH3
  544840.7709  0.0429 -5.1300 3  701.6056808  595161404503416 1    493514 1      C-13-H3C(O)CH3
  544896.5226  0.0550 -5.4586 3 1032.5159588  595161404731064 4    73 865 4      C-13-H3C(O)CH3
  544896.5226  0.0550 -5.4586 3 1032.5159588  59516140473 964 4    73 965 4      C-13-H3C(O)CH3
  544896.5354  0.0550 -5.4679 3 1032.5160588  595161404731064 3    73 865 3      C-13-H3C(O)CH3
  544896.5354  0.0550 -5.4679 3 1032.5160588  59516140473 964 3    73 965 3      C-13-H3C(O)CH3
  544915.1317  0.0438 -6.4229 3  563.1530728  595161404453015 1    452520 1      C-13-H3C(O)CH3
  544927.7324  0.0338 -5.4286 3  701.6519404  595161404503416 4    493514 4      C-13-H3C(O)CH3
  544976.0627  0.0034 -3.5846 3  430.7606680  595161404421626 0    411725 0      C-13-H3C(O)CH3
  544976.0631  0.0034 -3.5846 3  430.7606680  595161404421726 0    411625 0      C-13-H3C(O)CH3
  544977.6689  0.0043 -3.5845 3  430.7335680  595161404421626 1    411725 1      C-13-H3C(O)CH3
  544977.6694  0.0043 -3.5845 3  430.7335680  595161404421726 1    411625 1      C-13-H3C(O)CH3
  544982.8858  0.0043 -3.5845 3  430.7317680  595161404421626 2    411725 2      C-13-H3C(O)CH3
  544982.8864  0.0043 -3.5845 3  430.7317680  595161404421726 2    411625 2      C-13-H3C(O)CH3
  544984.4483  0.0043 -3.8855 3  430.7046340  595161404421626 4    411725 4      C-13-H3C(O)CH3
  544984.4488  0.0043 -3.8855 3  430.7046340  595161404421726 4    411625 4      C-13-H3C(O)CH3
  544984.5002  0.0043 -3.8855 3  430.7046340  595161404421626 3    411725 3      C-13-H3C(O)CH3
  544984.5008  0.0043 -3.8855 3  430.7046340  595161404421726 3    411625 3      C-13-H3C(O)CH3
  544986.6644  0.0236 -4.2527 3  246.3540244  5951614043021 9 4    292010 4      C-13-H3C(O)CH3
  545182.2347  0.0365 -5.1164 3  988.6235B60  59516140472 964 0    72 865 0      C-13-H3C(O)CH3
  545182.2347  0.0365 -5.1164 3  988.6235B60  59516140472 864 0    72 765 0      C-13-H3C(O)CH3
  545195.0845  0.0097 -6.3623 3   86.0664156  5951614041911 8 3    18 811 3      C-13-H3C(O)CH3
  545202.4246  0.1738 -6.2886 3 1742.9989E16  595161404882365 1    882266 1      C-13-H3C(O)CH3
  545202.4246  0.1738 -6.2886 3 1742.9989E16  595161404882465 1    882366 1      C-13-H3C(O)CH3
  545208.4456  0.0099 -6.0562 3   86.0369312  5951614041911 8 2    18 811 2      C-13-H3C(O)CH3
  545212.0011  0.1710 -6.3504 3 1743.0019E16  595161404882365 2    882366 2      C-13-H3C(O)CH3
  545212.0011  0.1710 -6.3504 3 1743.0019E16  595161404882465 2    882266 2      C-13-H3C(O)CH3
  545228.2343  0.0145 -6.3625 3   86.0665156  5951614041911 8 4    18 811 4      C-13-H3C(O)CH3
  545238.1189  0.3456 -6.4127 3 1051.0702A00  595161404623626 0    623329 0      C-13-H3C(O)CH3
  545242.4311  0.1804 -6.3000 3 1742.9791E16  595161404882365 0    882366 0      C-13-H3C(O)CH3
  545242.4311  0.1804 -6.2784 3 1742.9791E16  595161404882465 0    882266 0      C-13-H3C(O)CH3
  545250.9297  0.0637 -5.2647 3  988.5919B60  59516140472 864 2    72 865 2      C-13-H3C(O)CH3
  545250.9297  0.0637 -5.6489 3  988.5919B60  59516140472 964 2    72 865 2      C-13-H3C(O)CH3
  545250.9297  0.0637 -5.2647 3  988.5919B60  59516140472 964 2    72 765 2      C-13-H3C(O)CH3
  545250.9297  0.0637 -5.6489 3  988.5919B60  59516140472 864 2    72 765 2      C-13-H3C(O)CH3
  545251.0106  0.0647 -5.2540 3  988.5920B60  59516140472 964 1    72 765 1      C-13-H3C(O)CH3
  545251.0106  0.0647 -5.6759 3  988.5920B60  59516140472 964 1    72 865 1      C-13-H3C(O)CH3
  545251.0106  0.0647 -5.2540 3  988.5920B60  59516140472 864 1    72 865 1      C-13-H3C(O)CH3
  545251.0106  0.0647 -5.6759 3  988.5920B60  59516140472 864 1    72 765 1      C-13-H3C(O)CH3
  545252.8424  0.0377 -5.5764 3  842.4133872  595161404544015 0    534112 0      C-13-H3C(O)CH3
  545252.8820  0.0377 -5.5764 3  842.4133872  595161404544014 0    534113 0      C-13-H3C(O)CH3
  545273.4105  0.0185 -5.2428 3  599.7482380  595161404472820 4    462917 4      C-13-H3C(O)CH3
  545319.5940  0.0494 -5.7562 3  988.5604580  59516140472 964 4    72 865 4      C-13-H3C(O)CH3
  545319.5940  0.0494 -5.6800 3  988.5604580  59516140472 964 4    72 765 4      C-13-H3C(O)CH3
  545319.5940  0.0494 -5.6800 3  988.5604580  59516140472 864 4    72 865 4      C-13-H3C(O)CH3
  545319.5940  0.0494 -5.7562 3  988.5604580  59516140472 864 4    72 765 4      C-13-H3C(O)CH3
  545319.7517  0.0494 -5.6119 3  988.5604580  59516140472 864 3    72 865 3      C-13-H3C(O)CH3
  545319.7517  0.0494 -5.8543 3  988.5604580  59516140472 864 3    72 765 3      C-13-H3C(O)CH3
  545319.7517  0.0494 -5.6119 3  988.5604580  59516140472 964 3    72 765 3      C-13-H3C(O)CH3
  545319.7517  0.0494 -5.8543 3  988.5604580  59516140472 964 3    72 865 3      C-13-H3C(O)CH3
  545363.3032  0.0032 -5.7791 3  496.1575412  59516140451 645 4    50 744 4      C-13-H3C(O)CH3
  545363.3032  0.0032 -5.7791 3  496.1575412  59516140451 745 4    50 644 4      C-13-H3C(O)CH3
  545363.3099  0.0032 -3.7358 3  496.1575412 -59516140451 645 4    50 644 4      C-13-H3C(O)CH3
  545363.3099  0.0032 -6.2670 3  496.1575412 -59516140451 745 3    50 644 3      C-13-H3C(O)CH3
  545363.3099  0.0032 -6.2670 3  496.1575412 -59516140451 645 3    50 744 3      C-13-H3C(O)CH3
  545363.3099  0.0032 -3.7358 3  496.1575412 -59516140451 745 4    50 744 4      C-13-H3C(O)CH3
  545363.3599  0.0032 -3.7331 3  496.1575412  59516140451 745 3    50 744 3      C-13-H3C(O)CH3
  545363.3599  0.0032 -3.7331 3  496.1575412  59516140451 645 3    50 644 3      C-13-H3C(O)CH3
  545365.2428  0.0145 -4.9409 3  599.7564760  595161404472820 2    462917 2      C-13-H3C(O)CH3
  545366.6891  0.0409 -5.5762 3  842.4497872  595161404544015 2    534112 2      C-13-H3C(O)CH3
  545371.7302  0.0134 -4.9424 3  599.7595760  595161404472820 1    462917 1      C-13-H3C(O)CH3
  545389.2114  0.0135 -5.2388 3  599.7447380  595161404472820 3    462917 3      C-13-H3C(O)CH3
  545390.2238  0.0043 -3.4440 3  496.1783824 -59516140451 745 1    50 744 1      C-13-H3C(O)CH3
  545390.2238  0.0043 -3.4440 3  496.1783824 -59516140451 645 1    50 644 1      C-13-H3C(O)CH3
  545390.2238  0.0043 -4.9577 3  496.1783824 -59516140451 745 1    50 644 1      C-13-H3C(O)CH3
  545390.2238  0.0042 -3.4353 3  496.1779824 -59516140451 745 2    50 744 2      C-13-H3C(O)CH3
  545390.2238  0.0043 -4.9577 3  496.1783824 -59516140451 645 1    50 744 1      C-13-H3C(O)CH3
  545390.2238  0.0042 -3.4353 3  496.1779824 -59516140451 645 2    50 644 2      C-13-H3C(O)CH3
  545390.2238  0.0042 -5.4199 3  496.1779824 -59516140451 745 2    50 644 2      C-13-H3C(O)CH3
  545390.2238  0.0042 -5.4199 3  496.1779824 -59516140451 645 2    50 744 2      C-13-H3C(O)CH3
  545402.9612  0.0117 -4.9436 3  599.7696760  595161404472820 0    462917 0      C-13-H3C(O)CH3
  545405.1450  0.0391 -5.5764 3  842.4354872  595161404544015 1    534113 1      C-13-H3C(O)CH3
  545410.6568  0.0403 -5.5765 3  842.4426872  595161404544014 1    534112 1      C-13-H3C(O)CH3
  545416.9499  0.0031 -3.4312 3  496.1986824 -59516140451 745 0    50 644 0      C-13-H3C(O)CH3
  545416.9499  0.0031 -3.4312 3  496.1986824 -59516140451 645 0    50 744 0      C-13-H3C(O)CH3
  545439.8986  0.0099 -6.0532 3   86.0091312  5951614041911 8 0    18 811 0      C-13-H3C(O)CH3
  545440.7322  0.0098 -6.0585 3   86.0386312  5951614041911 8 1    18 811 1      C-13-H3C(O)CH3
  545518.9951  0.0472 -5.8773 3  842.4717436  595161404544015 4    534113 4      C-13-H3C(O)CH3
  545524.1375  0.0500 -5.8774 3  842.4790436  595161404544014 3    534112 3      C-13-H3C(O)CH3
  545524.1521  0.0745 -6.4659 3  563.1465728  595161404453015 2    452520 2      C-13-H3C(O)CH3
  545556.5272  0.0409 -5.5765 3  842.4468872  595161404544014 2    534113 2      C-13-H3C(O)CH3
  545604.4630  0.1361 -6.4494 3  821.1972444  595161404553124 3    552827 3      C-13-H3C(O)CH3
  545607.2809  0.1365 -6.4494 3  821.1972444  595161404553124 4    552827 4      C-13-H3C(O)CH3
  545700.3585  0.0377 -5.2984 3  945.2530B44  59516140471 764 0    71 765 0      C-13-H3C(O)CH3
  545700.3585  0.0377 -5.4818 3  945.2530B44  59516140471 764 0    71 665 0      C-13-H3C(O)CH3
  545700.3585  0.0377 -5.2984 3  945.2530B44  59516140471 864 0    71 665 0      C-13-H3C(O)CH3
  545700.3585  0.0377 -5.4818 3  945.2530B44  59516140471 864 0    71 765 0      C-13-H3C(O)CH3
  545708.1256  0.0726 -5.0817 3  945.2212B44  59516140471 864 1    71 665 1      C-13-H3C(O)CH3
  545708.1256  0.0726 -5.0817 3  945.2212B44  59516140471 764 1    71 765 1      C-13-H3C(O)CH3
  545708.7204  0.0721 -5.1293 3  945.2210B44  59516140471 864 2    71 765 2      C-13-H3C(O)CH3
  545708.7204  0.0721 -6.0437 3  945.2210B44  59516140471 864 2    71 665 2      C-13-H3C(O)CH3
  545708.7204  0.0721 -6.0437 3  945.2210B44  59516140471 764 2    71 765 2      C-13-H3C(O)CH3
  545708.7204  0.0721 -5.1293 3  945.2210B44  59516140471 764 2    71 665 2      C-13-H3C(O)CH3
  545708.9097  0.0487 -5.8775 3  842.4689436  595161404544015 3    534113 3      C-13-H3C(O)CH3
  545715.7200  0.0555 -5.8776 3  842.4761436  595161404544014 4    534112 4      C-13-H3C(O)CH3
  545716.1504  0.0444 -5.4126 3  945.1891572  59516140471 764 4    71 765 4      C-13-H3C(O)CH3
  545716.1504  0.0444 -5.4126 3  945.1891572  59516140471 864 4    71 665 4      C-13-H3C(O)CH3
  545716.4796  0.0443 -5.3999 3  945.1891572  59516140471 864 3    71 665 3      C-13-H3C(O)CH3
  545716.4796  0.0443 -5.3999 3  945.1891572  59516140471 764 3    71 765 3      C-13-H3C(O)CH3
  545735.2126  0.0034 -3.5640 3  441.6532696  595161404431528 0    421627 0      C-13-H3C(O)CH3
  545735.2126  0.0034 -3.5640 3  441.6532696  595161404431628 0    421527 0      C-13-H3C(O)CH3
  545736.6573  0.0044 -3.5639 3  441.6255696  595161404431628 1    421527 1      C-13-H3C(O)CH3
  545736.6573  0.0044 -3.5639 3  441.6255696  595161404431528 1    421627 1      C-13-H3C(O)CH3
  545740.5294  0.0045 -3.5639 3  441.6241696  595161404431528 2    421627 2      C-13-H3C(O)CH3
  545740.5294  0.0045 -3.5639 3  441.6241696  595161404431628 2    421527 2      C-13-H3C(O)CH3
  545741.9367  0.0043 -3.8649 3  441.5963348  595161404431628 4    421527 4      C-13-H3C(O)CH3
  545741.9367  0.0043 -3.8649 3  441.5963348  595161404431528 4    421627 4      C-13-H3C(O)CH3
  545741.9854  0.0044 -3.8649 3  441.5963348  595161404431628 3    421527 3      C-13-H3C(O)CH3
  545741.9854  0.0044 -3.8649 3  441.5963348  595161404431528 3    421627 3      C-13-H3C(O)CH3
  545805.2607  0.0106 -6.1191 3   91.3117312  5951614041914 6 1    18 9 9 1      C-13-H3C(O)CH3
  545821.2797  0.0097 -6.0911 3  388.9416632  595161404391821 0    391524 0      C-13-H3C(O)CH3
  545823.3660  0.0097 -6.0911 3  388.9416632  595161404391921 0    391624 0      C-13-H3C(O)CH3
  545829.9005  0.1372 -6.1488 3  821.1957888  595161404553124 2    552827 2      C-13-H3C(O)CH3
  545835.3431  0.0113 -6.0918 3  388.9127632  595161404391821 2    391524 2      C-13-H3C(O)CH3
  545837.5666  0.0113 -6.0918 3  388.9127632  595161404391921 2    391624 2      C-13-H3C(O)CH3
  545837.6493  0.0335 -6.3707 3  543.4256696  5951614044334 9 2    433112 2      C-13-H3C(O)CH3
  545862.6544  0.0880 -6.1485 3  821.1958888  595161404553124 1    552827 1      C-13-H3C(O)CH3
  545865.9561  0.1386 -6.4608 3 1690.4086700  595161404872265 3    872166 3      C-13-H3C(O)CH3
  545865.9561  0.1386 -6.4668 3 1690.4086700  595161404872365 3    872266 3      C-13-H3C(O)CH3
  545865.9796  0.1386 -6.4773 3 1690.4086700  595161404872365 4    872166 4      C-13-H3C(O)CH3
  545865.9796  0.1386 -6.4773 3 1690.4086700  595161404872265 4    872266 4      C-13-H3C(O)CH3
  545869.3578  0.0109 -6.0904 3  388.9146632  595161404391821 1    391524 1      C-13-H3C(O)CH3
  545871.4956  0.0109 -6.0904 3  388.9146632  595161404391921 1    391624 1      C-13-H3C(O)CH3
  545882.6919  0.1836 -6.2858 3 1690.3850E00  595161404872265 1    872266 1      C-13-H3C(O)CH3
  545882.6919  0.1836 -6.2858 3 1690.3850E00  595161404872365 1    872166 1      C-13-H3C(O)CH3
  545883.5032  0.0118 -6.3918 3  388.8855316  595161404391821 4    391524 4      C-13-H3C(O)CH3
  545883.5820  0.0117 -6.3918 3  388.8855316  595161404391821 3    391524 3      C-13-H3C(O)CH3
  545885.7736  0.0118 -6.3918 3  388.8855316  595161404391921 4    391624 4      C-13-H3C(O)CH3
  545885.8612  0.0117 -6.3918 3  388.8855316  595161404391921 3    391624 3      C-13-H3C(O)CH3
  545892.9936  0.1799 -6.1591 3 1690.3875E00  595161404872265 2    872166 2      C-13-H3C(O)CH3
  545892.9936  0.1799 -6.1591 3 1690.3875E00  595161404872365 2    872266 2      C-13-H3C(O)CH3
  545909.7615  0.1791 -6.1903 3 1690.3639E00  595161404872365 0    872266 0      C-13-H3C(O)CH3
  545909.7615  0.1791 -6.1903 3 1690.3639E00  595161404872265 0    872166 0      C-13-H3C(O)CH3
  546011.8455  0.0090 -6.2595 3   91.3351156  5951614041914 6 3    18 9 9 3      C-13-H3C(O)CH3
  546015.9494  0.0318 -6.3716 3  543.3802696  595161404433410 1    433113 1      C-13-H3C(O)CH3
  546083.3318  0.0894 -6.1491 3  821.1943888  595161404553124 0    552827 0      C-13-H3C(O)CH3
  546084.2556  0.0399 -5.3937 3  902.4035564  59516140470 664 4    70 565 4      C-13-H3C(O)CH3
  546084.2556  0.0399 -5.4969 3  902.4035564  59516140470 764 4    70 565 4      C-13-H3C(O)CH3
  546084.2556  0.0399 -6.4287 3  902.4035564  59516140470 664 4    70 665 4      C-13-H3C(O)CH3
  546084.2556  0.0399 -5.9112 3  902.4035564  59516140470 764 4    70 665 4      C-13-H3C(O)CH3
  546084.7609  0.0398 -5.9576 3  902.4035564  59516140470 664 3    70 565 3      C-13-H3C(O)CH3
  546084.7609  0.0398 -5.9576 3  902.4035564  59516140470 764 3    70 665 3      C-13-H3C(O)CH3
  546084.7609  0.0398 -5.4803 3  902.4035564  59516140470 664 3    70 665 3      C-13-H3C(O)CH3
  546084.7609  0.0398 -5.4803 3  902.4035564  59516140470 764 3    70 565 3      C-13-H3C(O)CH3
  546114.8188  0.0309 -6.3729 3  543.3997696  5951614044334 9 0    433112 0      C-13-H3C(O)CH3
  546115.1901  0.0552 -5.9914 3  962.4981920  595161404574513 1    564611 1      C-13-H3C(O)CH3
  546121.1469  0.0340 -6.3704 3  543.4074696  5951614044334 9 1    433112 1      C-13-H3C(O)CH3
  546121.8558  0.0309 -6.3729 3  543.3994696  595161404433410 0    433113 0      C-13-H3C(O)CH3
  546122.6080  0.0439 -5.9911 3  962.4778920  595161404574513 0    564610 0      C-13-H3C(O)CH3
  546122.6080  0.0439 -5.9911 3  962.4778920  595161404574512 0    564611 0      C-13-H3C(O)CH3
  546159.3290  0.0759 -5.0912 3  902.4329B28  59516140470 664 1    70 565 1      C-13-H3C(O)CH3
  546159.3290  0.0759 -6.1434 3  902.4329B28  59516140470 664 1    70 665 1      C-13-H3C(O)CH3
  546159.3290  0.0759 -5.0912 3  902.4329B28  59516140470 764 1    70 665 1      C-13-H3C(O)CH3
  546159.3290  0.0759 -6.1434 3  902.4329B28  59516140470 764 1    70 565 1      C-13-H3C(O)CH3
  546160.6733  0.0757 -5.0549 3  902.4327B28  59516140470 664 2    70 565 2      C-13-H3C(O)CH3
  546160.6733  0.0757 -5.0549 3  902.4327B28  59516140470 764 2    70 665 2      C-13-H3C(O)CH3
  546212.8298  0.0317 -6.3742 3  543.3919696  595161404433410 2    433113 2      C-13-H3C(O)CH3
  546223.7151  0.0104 -6.1113 3   91.3075312  5951614041914 6 2    18 9 9 2      C-13-H3C(O)CH3
  546235.1562  0.0390 -5.0604 3  902.4619B28  59516140470 664 0    70 565 0      C-13-H3C(O)CH3
  546235.1562  0.0390 -5.0604 3  902.4619B28  59516140470 764 0    70 665 0      C-13-H3C(O)CH3
  546245.0692  0.0069 -5.0730 3   93.7864180  59516140422 517 3    21 418 3      C-13-H3C(O)CH3
  546245.0692  0.0069 -5.0730 3   93.7864180  59516140422 617 3    21 318 3      C-13-H3C(O)CH3
  546245.2439  0.0086 -5.0730 3   93.7865180  59516140422 517 4    21 418 4      C-13-H3C(O)CH3
  546245.2439  0.0086 -5.0730 3   93.7865180  59516140422 617 4    21 318 4      C-13-H3C(O)CH3
  546287.8382  0.0549 -5.9914 3  962.5036920  595161404574512 1    564610 1      C-13-H3C(O)CH3
  546312.3373  0.0713 -6.2929 3  962.5104460  595161404574513 4    564611 4      C-13-H3C(O)CH3
  546316.5490  0.0337 -6.0495 3  701.1631824  595161404512923 0    512626 0      C-13-H3C(O)CH3
  546317.3824  0.0488 -6.0492 3  701.1550824  595161404512923 2    512626 2      C-13-H3C(O)CH3
  546318.0223  0.0542 -5.9916 3  962.4902920  595161404574513 2    564611 2      C-13-H3C(O)CH3
  546346.6378  0.0368 -6.0488 3  701.1560824  595161404512923 1    512626 1      C-13-H3C(O)CH3
  546347.5271  0.0515 -6.3495 3  701.1479412  595161404512923 4    512626 4      C-13-H3C(O)CH3
  546348.9597  0.0509 -6.3495 3  701.1479412  595161404512923 3    512626 3      C-13-H3C(O)CH3
  546355.4497  0.0090 -6.2466 3   88.8958156  5951614041913 7 4    18 810 4      C-13-H3C(O)CH3
  546407.1853  0.0715 -6.2926 3  962.5303460  595161404574512 3    564610 3      C-13-H3C(O)CH3
  546413.6761  0.0574 -5.9912 3  962.5100920  595161404574512 2    564610 2      C-13-H3C(O)CH3
  546421.8113  0.0369 -6.4438 3  860.2049556  59516140469 664 4    69 565 4      C-13-H3C(O)CH3
  546421.8113  0.0369 -5.3799 3  860.2049556  59516140469 664 4    69 465 4      C-13-H3C(O)CH3
  546421.8113  0.0369 -6.4438 3  860.2049556  59516140469 564 4    69 465 4      C-13-H3C(O)CH3
  546421.8113  0.0369 -5.3799 3  860.2049556  59516140469 564 4    69 565 4      C-13-H3C(O)CH3
  546422.4537  0.0368 -5.5149 3  860.2049556  59516140469 564 3    69 565 3      C-13-H3C(O)CH3
  546422.4537  0.0368 -5.5149 3  860.2049556  59516140469 664 3    69 465 3      C-13-H3C(O)CH3
  546422.4537  0.0368 -5.8314 3  860.2049556  59516140469 664 3    69 565 3      C-13-H3C(O)CH3
  546422.4537  0.0368 -5.8314 3  860.2049556  59516140469 564 3    69 465 3      C-13-H3C(O)CH3
  546473.7361  0.0031 -3.8061 3  501.4757420  59516140452 547 4    51 646 4      C-13-H3C(O)CH3
  546473.7361  0.0031 -4.4632 3  501.4757420  59516140452 647 4    51 646 4      C-13-H3C(O)CH3
  546473.7528  0.0031 -5.4027 3  501.4757420 -59516140452 547 3    51 546 3      C-13-H3C(O)CH3
  546473.7528  0.0031 -3.8061 3  501.4757420 -59516140452 647 4    51 546 4      C-13-H3C(O)CH3
  546473.7528  0.0031 -4.4632 3  501.4757420 -59516140452 547 4    51 546 4      C-13-H3C(O)CH3
  546473.7528  0.0031 -3.7287 3  501.4757420 -59516140452 647 3    51 546 3      C-13-H3C(O)CH3
  546473.7824  0.0031 -5.4027 3  501.4757420  59516140452 647 3    51 646 3      C-13-H3C(O)CH3
  546473.7824  0.0031 -3.7287 3  501.4757420  59516140452 547 3    51 646 3      C-13-H3C(O)CH3
  546484.7480  0.0706 -6.2929 3  962.5160460  595161404574513 3    564611 3      C-13-H3C(O)CH3
  546503.1859  0.0041 -3.4810 3  501.4911840  59516140452 647 1    51 646 1      C-13-H3C(O)CH3
  546503.1859  0.0041 -4.2918 3  501.4911840  59516140452 547 1    51 646 1      C-13-H3C(O)CH3
  546503.4201  0.0041 -3.4810 3  501.4911840 -59516140452 547 1    51 546 1      C-13-H3C(O)CH3
  546503.4201  0.0040 -3.4190 3  501.4907840 -59516140452 547 2    51 546 2      C-13-H3C(O)CH3
  546503.4201  0.0041 -4.2918 3  501.4911840 -59516140452 647 1    51 546 1      C-13-H3C(O)CH3
  546503.5183  0.0040 -3.4190 3  501.4907840  59516140452 647 2    51 646 2      C-13-H3C(O)CH3
  546532.8237  0.0030 -3.4314 3  501.5062840 -59516140452 547 0    51 546 0      C-13-H3C(O)CH3
  546532.8237  0.0030 -4.9552 3  501.5062840 -59516140452 647 0    51 546 0      C-13-H3C(O)CH3
  546532.8803  0.0030 -4.9552 3  501.5062840  59516140452 547 0    51 646 0      C-13-H3C(O)CH3
  546532.8803  0.0030 -3.4314 3  501.5062840  59516140452 647 0    51 646 0      C-13-H3C(O)CH3
  546542.1792  0.1361 -6.3765 3 1638.3649692  595161404862265 4    862166 4      C-13-H3C(O)CH3
  546542.1792  0.1361 -6.3765 3 1638.3649692  595161404862165 4    862066 4      C-13-H3C(O)CH3
  546543.0667  0.1952 -6.0785 3 1638.3412D84  595161404862265 1    862166 1      C-13-H3C(O)CH3
  546543.0667  0.1952 -6.0785 3 1638.3412D84  595161404862165 1    862066 1      C-13-H3C(O)CH3
  546553.5638  0.1911 -6.2484 3 1638.3431D84  595161404862265 2    862166 2      C-13-H3C(O)CH3
  546553.5638  0.1911 -6.2484 3 1638.3431D84  595161404862165 2    862066 2      C-13-H3C(O)CH3
  546554.5506  0.1801 -6.0703 3 1638.3195D84  595161404862265 0    862166 0      C-13-H3C(O)CH3
  546554.5506  0.1801 -6.0703 3 1638.3195D84  595161404862165 0    862066 0      C-13-H3C(O)CH3
  546579.7692  0.0769 -6.2926 3  962.5358460  595161404574512 4    564610 4      C-13-H3C(O)CH3
  546604.8157  0.0034 -3.6313 3  451.9641712  595161404441430 0    431529 0      C-13-H3C(O)CH3
  546604.8157  0.0034 -4.2306 3  451.9641712  595161404441430 0    431429 0      C-13-H3C(O)CH3
  546604.8157  0.0034 -4.2962 3  451.9641712  595161404441530 0    431529 0      C-13-H3C(O)CH3
  546604.8157  0.0034 -3.6469 3  451.9641712  595161404441530 0    431429 0      C-13-H3C(O)CH3
  546605.1380  0.0046 -3.5535 3  451.9358712  595161404441430 1    431529 1      C-13-H3C(O)CH3
  546605.1380  0.0046 -5.3225 3  451.9358712  595161404441530 1    431529 1      C-13-H3C(O)CH3
  546605.1380  0.0046 -3.5595 3  451.9358712  595161404441530 1    431429 1      C-13-H3C(O)CH3
  546605.1380  0.0046 -5.6854 3  451.9358712  595161404441430 1    431429 1      C-13-H3C(O)CH3
  546606.3238  0.0720 -5.5619 3  860.2276B12  59516140469 564 1    69 465 1      C-13-H3C(O)CH3
  546606.3238  0.0720 -5.1991 3  860.2276B12  59516140469 664 1    69 465 1      C-13-H3C(O)CH3
  546606.3238  0.0720 -5.5619 3  860.2276B12  59516140469 664 1    69 565 1      C-13-H3C(O)CH3
  546606.3238  0.0720 -5.1991 3  860.2276B12  59516140469 564 1    69 565 1      C-13-H3C(O)CH3
  546608.0819  0.0046 -4.2787 3  451.9346712  595161404441530 2    431529 2      C-13-H3C(O)CH3
  546608.0819  0.0046 -3.6250 3  451.9346712  595161404441530 2    431429 2      C-13-H3C(O)CH3
  546608.0819  0.0046 -3.6351 3  451.9346712  595161404441430 2    431529 2      C-13-H3C(O)CH3
  546608.0819  0.0046 -4.3263 3  451.9346712  595161404441430 2    431429 2      C-13-H3C(O)CH3
  546608.2698  0.0716 -5.1260 3  860.2273B12  59516140469 664 2    69 465 2      C-13-H3C(O)CH3
  546608.2698  0.0716 -5.8002 3  860.2273B12  59516140469 564 2    69 465 2      C-13-H3C(O)CH3
  546608.2698  0.0716 -5.1260 3  860.2273B12  59516140469 564 2    69 565 2      C-13-H3C(O)CH3
  546608.2698  0.0716 -5.8002 3  860.2273B12  59516140469 664 2    69 565 2      C-13-H3C(O)CH3
  546608.3665  0.0044 -6.1758 3  451.9063356  595161404441430 4    431429 4      C-13-H3C(O)CH3
  546608.3665  0.0044 -3.8484 3  451.9063356  595161404441430 4    431529 4      C-13-H3C(O)CH3
  546608.3665  0.0044 -3.8492 3  451.9063356  595161404441530 4    431429 4      C-13-H3C(O)CH3
  546608.3665  0.0044 -6.3840 3  451.9063356  595161404441530 4    431529 4      C-13-H3C(O)CH3
  546608.4155  0.0044 -3.8634 3  451.9063356  595161404441430 3    431529 3      C-13-H3C(O)CH3
  546608.4155  0.0044 -5.2774 3  451.9063356  595161404441430 3    431429 3      C-13-H3C(O)CH3
  546608.4155  0.0044 -5.2837 3  451.9063356  595161404441530 3    431529 3      C-13-H3C(O)CH3
  546608.4155  0.0044 -3.8636 3  451.9063356  595161404441530 3    431429 3      C-13-H3C(O)CH3
  546693.5474  0.0078 -4.7708 3   93.7433360  59516140422 617 2    21 318 2      C-13-H3C(O)CH3
  546693.5474  0.0078 -4.7708 3   93.7433360  59516140422 517 2    21 418 2      C-13-H3C(O)CH3
  546701.3263  0.0079 -4.7710 3   93.7439360  59516140422 617 1    21 318 1      C-13-H3C(O)CH3
  546701.3263  0.0079 -4.7710 3   93.7439360  59516140422 517 1    21 418 1      C-13-H3C(O)CH3
  546726.5841  0.0379 -5.3583 3  818.5947548  59516140468 464 4    68 465 4      C-13-H3C(O)CH3
  546726.5841  0.0379 -5.3583 3  818.5947548  59516140468 564 4    68 365 4      C-13-H3C(O)CH3
  546727.2487  0.0376 -5.4024 3  818.5947548  59516140468 464 3    68 465 3      C-13-H3C(O)CH3
  546727.2487  0.0376 -6.3066 3  818.5947548  59516140468 464 3    68 365 3      C-13-H3C(O)CH3
  546727.2487  0.0376 -6.3066 3  818.5947548  59516140468 564 3    68 465 3      C-13-H3C(O)CH3
  546727.2487  0.0376 -5.4024 3  818.5947548  59516140468 564 3    68 365 3      C-13-H3C(O)CH3
  546791.9341  0.0382 -6.0599 3  860.2500B12  59516140469 564 0    69 465 0      C-13-H3C(O)CH3
  546791.9341  0.0382 -5.8301 3  860.2500B12  59516140469 664 0    69 565 0      C-13-H3C(O)CH3
  546791.9341  0.0382 -5.0861 3  860.2500B12  59516140469 564 0    69 565 0      C-13-H3C(O)CH3
  546791.9341  0.0382 -5.1195 3  860.2500B12  59516140469 664 0    69 465 0      C-13-H3C(O)CH3
  546807.1205  0.1551 -6.2914 3  985.5597968  595161404603625 0    603328 0      C-13-H3C(O)CH3
  546827.4433  0.1307 -6.2913 3  985.5696968  595161404603625 2    603328 2      C-13-H3C(O)CH3
  546851.0644  0.1535 -6.2912 3  985.5683968  595161404603625 1    603328 1      C-13-H3C(O)CH3
  546885.0607  0.0056 -6.2100 3   88.8957156  5951614041913 7 3    18 810 3      C-13-H3C(O)CH3
  546996.2431  0.0463 -5.3954 3  777.5744540  59516140467 464 4    67 365 4      C-13-H3C(O)CH3
  546996.2431  0.0463 -5.3954 3  777.5744540  59516140467 364 4    67 265 4      C-13-H3C(O)CH3
  546996.6932  0.0458 -5.3965 3  777.5744540  59516140467 464 3    67 365 3      C-13-H3C(O)CH3
  546996.6932  0.0458 -5.3965 3  777.5744540  59516140467 364 3    67 265 3      C-13-H3C(O)CH3
  546998.8544  0.0112 -6.4715 3   70.2985172  59516140421 219 3    20 120 3      C-13-H3C(O)CH3
  546998.8544  0.0112 -6.1841 3   70.2985172  59516140421 219 3    20 020 3      C-13-H3C(O)CH3
  546998.8544  0.0112 -6.1841 3   70.2985172  59516140421 319 3    20 120 3      C-13-H3C(O)CH3
  546998.8544  0.0112 -6.4715 3   70.2985172  59516140421 319 3    20 020 3      C-13-H3C(O)CH3
  546999.5514  0.0129 -6.2385 3   70.2985172  59516140421 219 4    20 120 4      C-13-H3C(O)CH3
  546999.5514  0.0129 -6.2385 3   70.2985172  59516140421 319 4    20 020 4      C-13-H3C(O)CH3
  546999.5514  0.0129 -6.3823 3   70.2985172  59516140421 319 4    20 120 4      C-13-H3C(O)CH3
  546999.5514  0.0129 -6.3823 3   70.2985172  59516140421 219 4    20 020 4      C-13-H3C(O)CH3
  547050.9290  0.0619 -5.0507 3  818.6059A96  59516140468 464 1    68 365 1      C-13-H3C(O)CH3
  547050.9290  0.0619 -5.0507 3  818.6059A96  59516140468 564 1    68 465 1      C-13-H3C(O)CH3
  547053.0334  0.0600 -5.3662 3  818.6055A96  59516140468 464 2    68 465 2      C-13-H3C(O)CH3
  547053.0334  0.0600 -5.3358 3  818.6055A96  59516140468 564 2    68 465 2      C-13-H3C(O)CH3
  547053.0334  0.0600 -5.3662 3  818.6055A96  59516140468 564 2    68 365 2      C-13-H3C(O)CH3
  547053.0334  0.0600 -5.3358 3  818.6055A96  59516140468 464 2    68 365 2      C-13-H3C(O)CH3
  547125.4277  0.0064 -5.9212 3   88.8707312  5951614041913 7 1    18 810 1      C-13-H3C(O)CH3
  547148.8021  0.0075 -4.7697 3   93.7008360  59516140422 517 0    21 418 0      C-13-H3C(O)CH3
  547148.8022  0.0075 -4.7697 3   93.7008360  59516140422 617 0    21 318 0      C-13-H3C(O)CH3
  547177.5925  0.1809 -6.2589 3 1586.8472D68  595161404852165 0    851966 0      C-13-H3C(O)CH3
  547177.5925  0.1809 -6.3042 3 1586.8472D68  595161404852065 0    851966 0      C-13-H3C(O)CH3
  547177.5925  0.1809 -6.3042 3 1586.8472D68  595161404852165 0    852066 0      C-13-H3C(O)CH3
  547177.5925  0.1809 -6.2589 3 1586.8472D68  595161404852065 0    852066 0      C-13-H3C(O)CH3
  547184.1016  0.2047 -6.1649 3 1586.8686D68  595161404852065 1    852066 1      C-13-H3C(O)CH3
  547184.1016  0.2047 -6.4400 3 1586.8686D68  595161404852165 1    852066 1      C-13-H3C(O)CH3
  547184.1016  0.2047 -6.1649 3 1586.8686D68  595161404852165 1    851966 1      C-13-H3C(O)CH3
  547184.1016  0.2047 -6.4400 3 1586.8686D68  595161404852065 1    851966 1      C-13-H3C(O)CH3
  547194.3030  0.2008 -6.1272 3 1586.8700D68  595161404852065 2    851966 2      C-13-H3C(O)CH3
  547194.3030  0.2008 -6.0868 3 1586.8700D68  595161404852165 2    852066 2      C-13-H3C(O)CH3
  547200.8798  0.1334 -6.2811 3 1586.8914684  595161404852065 3    852066 3      C-13-H3C(O)CH3
  547200.8798  0.1334 -6.2988 3 1586.8914684  595161404852165 3    852066 3      C-13-H3C(O)CH3
  547200.9580  0.1334 -6.4531 3 1586.8914684  595161404852165 4    852066 4      C-13-H3C(O)CH3
  547200.9580  0.1334 -6.4531 3 1586.8914684  595161404852065 4    851966 4      C-13-H3C(O)CH3
  547228.2211  0.0636 -6.2515 3  737.1454532  59516140466 364 3    66 165 3      C-13-H3C(O)CH3
  547228.2211  0.0636 -5.5571 3  737.1454532  59516140466 364 3    66 265 3      C-13-H3C(O)CH3
  547228.2211  0.0636 -6.2515 3  737.1454532  59516140466 264 3    66 265 3      C-13-H3C(O)CH3
  547228.2211  0.0636 -5.5571 3  737.1454532  59516140466 264 3    66 165 3      C-13-H3C(O)CH3
  547228.4095  0.0642 -5.4840 3  737.1454532  59516140466 364 4    66 265 4      C-13-H3C(O)CH3
  547228.4095  0.0642 -5.4840 3  737.1454532  59516140466 264 4    66 165 4      C-13-H3C(O)CH3
  547284.3402  0.0063 -5.9175 3   88.8682312  5951614041913 7 2    18 810 2      C-13-H3C(O)CH3
  547312.3629  0.0120 -3.8142 3  327.1007568  595161404352115 1    342014 1      C-13-H3C(O)CH3
  547376.3058  0.0365 -5.1038 3  818.6167A96  59516140468 564 0    68 365 0      C-13-H3C(O)CH3
  547376.3058  0.0365 -5.9759 3  818.6167A96  59516140468 464 0    68 365 0      C-13-H3C(O)CH3
  547376.3058  0.0365 -5.9759 3  818.6167A96  59516140468 564 0    68 465 0      C-13-H3C(O)CH3
  547376.3058  0.0365 -5.1038 3  818.6167A96  59516140468 464 0    68 465 0      C-13-H3C(O)CH3
  547382.1873  0.0070 -5.9268 3   91.2840312  5951614041914 6 0    18 9 9 0      C-13-H3C(O)CH3
  547406.1272  0.0581 -6.2409 3  689.7610792  595161404493613 0    493316 0      C-13-H3C(O)CH3
  547419.1924  0.0923 -5.7022 3  697.3094524  59516140465 264 3    65 065 3      C-13-H3C(O)CH3
  547419.1924  0.0923 -5.7022 3  697.3094524  59516140465 164 3    65 165 3      C-13-H3C(O)CH3
  547420.7192  0.0926 -6.3528 3  697.3094524  59516140465 264 4    65 165 4      C-13-H3C(O)CH3
  547420.7192  0.0926 -6.3528 3  697.3094524  59516140465 164 4    65 065 4      C-13-H3C(O)CH3
  547420.7192  0.0926 -5.7995 3  697.3094524  59516140465 164 4    65 165 4      C-13-H3C(O)CH3
  547420.7192  0.0926 -5.7995 3  697.3094524  59516140465 264 4    65 065 4      C-13-H3C(O)CH3
  547472.8625  0.0135 -4.1148 3  327.0690284  595161404352115 4    342014 4      C-13-H3C(O)CH3
  547478.6854  0.0496 -6.2464 3  689.8016792  595161404493613 2    493316 2      C-13-H3C(O)CH3
  547479.1552  0.0144 -4.1148 3  327.0689284  595161404352115 3    342014 3      C-13-H3C(O)CH3
  547493.1629  0.0105 -3.8143 3  327.1154568  595161404352115 0    342014 0      C-13-H3C(O)CH3
  547495.0751  0.0585 -5.2287 3  777.5681A80  59516140467 464 1    67 365 1      C-13-H3C(O)CH3
  547495.0751  0.0585 -5.2287 3  777.5681A80  59516140467 364 1    67 265 1      C-13-H3C(O)CH3
  547495.0751  0.0585 -5.6391 3  777.5681A80  59516140467 364 1    67 365 1      C-13-H3C(O)CH3
  547495.0751  0.0585 -5.6391 3  777.5681A80  59516140467 464 1    67 265 1      C-13-H3C(O)CH3
  547496.5183  0.0537 -5.1856 3  777.5676A80  59516140467 364 2    67 265 2      C-13-H3C(O)CH3
  547496.5183  0.0537 -5.7743 3  777.5676A80  59516140467 364 2    67 365 2      C-13-H3C(O)CH3
  547496.5183  0.0537 -5.7743 3  777.5676A80  59516140467 464 2    67 265 2      C-13-H3C(O)CH3
  547496.5183  0.0537 -5.1856 3  777.5676A80  59516140467 464 2    67 365 2      C-13-H3C(O)CH3
  547509.9708  0.0590 -6.2504 3  689.7870792  595161404493613 1    493316 1      C-13-H3C(O)CH3
  547545.3422  0.0047 -3.9925 3  461.6761728  595161404451432 1    441431 1      C-13-H3C(O)CH3
  547545.3422  0.0047 -3.7144 3  461.6761728  595161404451332 1    441431 1      C-13-H3C(O)CH3
  547545.3422  0.0047 -3.9188 3  461.6761728  595161404451332 1    441331 1      C-13-H3C(O)CH3
  547545.3422  0.0047 -3.7590 3  461.6761728  595161404451432 1    441331 1      C-13-H3C(O)CH3
  547546.0169  0.0043 -5.5800 3  461.6463364  595161404451432 4    441331 4      C-13-H3C(O)CH3
  547546.0169  0.0043 -3.8393 3  461.6463364  595161404451332 4    441331 4      C-13-H3C(O)CH3
  547546.0169  0.0043 -3.8393 3  461.6463364  595161404451432 4    441431 4      C-13-H3C(O)CH3
  547546.0169  0.0043 -5.5800 3  461.6463364  595161404451332 4    441431 4      C-13-H3C(O)CH3
  547546.0679  0.0043 -4.5951 3  461.6463364  595161404451432 3    441431 3      C-13-H3C(O)CH3
  547546.0679  0.0043 -3.9137 3  461.6463364  595161404451332 3    441431 3      C-13-H3C(O)CH3
  547546.0679  0.0043 -4.5951 3  461.6463364  595161404451332 3    441331 3      C-13-H3C(O)CH3
  547546.0679  0.0043 -3.9137 3  461.6463364  595161404451432 3    441331 3      C-13-H3C(O)CH3
  547546.9039  0.0035 -4.2681 3  461.7048728  595161404451332 0    441431 0      C-13-H3C(O)CH3
  547546.9039  0.0035 -3.6184 3  461.7048728  595161404451432 0    441431 0      C-13-H3C(O)CH3
  547546.9039  0.0035 -3.5308 3  461.7048728  595161404451432 0    441331 0      C-13-H3C(O)CH3
  547547.6202  0.0048 -4.6979 3  461.6751728  595161404451332 2    441331 2      C-13-H3C(O)CH3
  547547.6202  0.0048 -4.6979 3  461.6751728  595161404451432 2    441431 2      C-13-H3C(O)CH3
  547547.6202  0.0048 -3.5611 3  461.6751728  595161404451432 2    441331 2      C-13-H3C(O)CH3
  547547.6202  0.0048 -3.5611 3  461.6751728  595161404451332 2    441431 2      C-13-H3C(O)CH3
  547593.2159  0.0030 -3.7251 3  506.2561428  59516140453 449 4    52 548 4      C-13-H3C(O)CH3
  547593.2159  0.0030 -5.1006 3  506.2561428  59516140453 549 4    52 548 4      C-13-H3C(O)CH3
  547593.2412  0.0030 -3.7251 3  506.2561428 -59516140453 549 4    52 448 4      C-13-H3C(O)CH3
  547593.2412  0.0030 -4.6823 3  506.2561428 -59516140453 449 3    52 548 3      C-13-H3C(O)CH3
  547593.2412  0.0030 -3.7558 3  506.2561428 -59516140453 549 3    52 548 3      C-13-H3C(O)CH3
  547593.2412  0.0030 -5.1006 3  506.2561428 -59516140453 449 4    52 448 4      C-13-H3C(O)CH3
  547593.2469  0.0030 -4.6823 3  506.2561428  59516140453 549 3    52 448 3      C-13-H3C(O)CH3
  547593.2469  0.0030 -3.7558 3  506.2561428  59516140453 449 3    52 448 3      C-13-H3C(O)CH3
  547603.7841  0.1036 -5.7733 3  637.0976388  595161404483118 4    473215 4      C-13-H3C(O)CH3
  547605.0946  0.0152 -6.3122 3   70.2271344  59516140421 319 2    20 120 2      C-13-H3C(O)CH3
  547605.0946  0.0152 -5.8226 3   70.2271344  59516140421 219 2    20 120 2      C-13-H3C(O)CH3
  547605.0946  0.0152 -5.8226 3   70.2271344  59516140421 319 2    20 020 2      C-13-H3C(O)CH3
  547605.0946  0.0152 -6.3122 3   70.2271344  59516140421 219 2    20 020 2      C-13-H3C(O)CH3
  547606.3090  0.0153 -5.7506 3   70.2276344  59516140421 319 1    20 120 1      C-13-H3C(O)CH3
  547606.3090  0.0153 -5.7506 3   70.2276344  59516140421 219 1    20 020 1      C-13-H3C(O)CH3
  547624.2157  0.0040 -3.4411 3  506.2639856  59516140453 549 1    52 448 1      C-13-H3C(O)CH3
  547624.2157  0.0040 -4.5184 3  506.2639856  59516140453 449 1    52 448 1      C-13-H3C(O)CH3
  547624.3542  0.0040 -4.5184 3  506.2639856 -59516140453 549 1    52 548 1      C-13-H3C(O)CH3
  547624.3542  0.0040 -3.4411 3  506.2639856 -59516140453 449 1    52 548 1      C-13-H3C(O)CH3
  547624.3542  0.0039 -3.8877 3  506.2635856 -59516140453 449 2    52 448 2      C-13-H3C(O)CH3
  547624.3542  0.0039 -3.5801 3  506.2635856 -59516140453 549 2    52 448 2      C-13-H3C(O)CH3
  547624.4241  0.0039 -3.8877 3  506.2635856  59516140453 549 2    52 548 2      C-13-H3C(O)CH3
  547624.4241  0.0039 -3.5801 3  506.2635856  59516140453 449 2    52 548 2      C-13-H3C(O)CH3
  547655.3116  0.0030 -3.4065 3  506.2712856 -59516140453 549 0    52 448 0      C-13-H3C(O)CH3
  547655.3430  0.0030 -3.4065 3  506.2712856  59516140453 449 0    52 548 0      C-13-H3C(O)CH3
  547662.6175  0.0121 -3.8138 3  327.0836568  595161404352115 2    342014 2      C-13-H3C(O)CH3
  547664.1219  0.0366 -5.3034 3  676.3802808  595161404502922 0    493019 0      C-13-H3C(O)CH3
  547727.6692  0.0047 -3.7470 3  380.7033616  595161404382118 1    372017 1      C-13-H3C(O)CH3
  547747.3001  0.0040 -3.7471 3  380.7259616  595161404382118 0    372017 0      C-13-H3C(O)CH3
  547756.4371  0.0577 -6.2404 3  689.7493792  595161404493614 0    493317 0      C-13-H3C(O)CH3
  547777.6579  0.0042 -4.0481 3  380.6731308  595161404382118 4    372017 4      C-13-H3C(O)CH3
  547779.8386  0.1798 -6.2779 3 1535.9480D52  595161404842065 0    841866 0      C-13-H3C(O)CH3
  547779.8386  0.1798 -6.1253 3 1535.9480D52  595161404842065 0    841966 0      C-13-H3C(O)CH3
  547779.8386  0.1798 -6.2779 3 1535.9480D52  595161404841965 0    841966 0      C-13-H3C(O)CH3
  547779.8386  0.1798 -6.1253 3 1535.9480D52  595161404841965 0    841866 0      C-13-H3C(O)CH3
  547780.4712  0.0049 -4.0481 3  380.6731308  595161404382118 3    372017 3      C-13-H3C(O)CH3
  547799.7760  0.0044 -3.7472 3  380.6958616  595161404382118 2    372017 2      C-13-H3C(O)CH3
  547806.3664  0.2100 -5.9650 3 1535.9681D52  595161404841965 1    841966 1      C-13-H3C(O)CH3
  547806.3664  0.2100 -5.9650 3 1535.9681D52  595161404842065 1    841866 1      C-13-H3C(O)CH3
  547811.4556  0.0057 -5.9061 3   88.8432312  5951614041913 7 0    18 810 0      C-13-H3C(O)CH3
  547815.8408  0.2066 -6.3389 3 1535.9691D52  595161404841965 2    841866 2      C-13-H3C(O)CH3
  547815.8408  0.2066 -6.0869 3 1535.9691D52  595161404842065 2    841866 2      C-13-H3C(O)CH3
  547815.8408  0.2066 -6.3389 3 1535.9691D52  595161404842065 2    841966 2      C-13-H3C(O)CH3
  547815.8408  0.2066 -6.0869 3 1535.9691D52  595161404841965 2    841966 2      C-13-H3C(O)CH3
  547842.4555  0.1300 -6.3042 3 1535.9893676  595161404842065 3    841966 3      C-13-H3C(O)CH3
  547842.4555  0.1300 -6.3042 3 1535.9893676  595161404841965 3    841866 3      C-13-H3C(O)CH3
  547875.5992  0.0096 -6.3633 3   91.3117312  5951614041914 5 1    18 9 9 1      C-13-H3C(O)CH3
  547904.3725  0.0592 -6.2515 3  689.7497792  595161404493614 1    493317 1      C-13-H3C(O)CH3
  547940.2980  0.0841 -5.1767 3  737.1141A64  59516140466 364 2    66 165 2      C-13-H3C(O)CH3
  547940.2980  0.0841 -5.1767 3  737.1141A64  59516140466 264 2    66 265 2      C-13-H3C(O)CH3
  547940.7967  0.0894 -5.2659 3  737.1145A64  59516140466 364 1    66 265 1      C-13-H3C(O)CH3
  547940.7967  0.0894 -5.8974 3  737.1145A64  59516140466 364 1    66 165 1      C-13-H3C(O)CH3
  547940.7967  0.0894 -5.8974 3  737.1145A64  59516140466 264 1    66 265 1      C-13-H3C(O)CH3
  547940.7967  0.0894 -5.2659 3  737.1145A64  59516140466 264 1    66 165 1      C-13-H3C(O)CH3
  547955.5405  0.0359 -5.2988 3  676.3630808  595161404502922 1    493019 1      C-13-H3C(O)CH3
  547976.5699  0.0098 -6.3872 3   91.3075312  5951614041914 5 2    18 9 9 2      C-13-H3C(O)CH3
  547994.1436  0.0425 -5.0953 3  777.5614A80  59516140467 464 0    67 265 0      C-13-H3C(O)CH3
  547994.1436  0.0425 -5.0953 3  777.5614A80  59516140467 364 0    67 365 0      C-13-H3C(O)CH3
  548015.9255  0.0264 -6.4154 3  576.5281372  595161404462819 4    452917 4      C-13-H3C(O)CH3
  548054.4045  0.0143 -5.5598 3  127.0697180  5951614042216 7 4    2113 9 4      C-13-H3C(O)CH3
  548110.8317  0.0370 -6.2847 3  614.2500744  595161404463511 2    463214 2      C-13-H3C(O)CH3
  548132.5736  0.0050 -3.4553 3  240.7101228  5951614042826 2 4    2725 2 4      C-13-H3C(O)CH3
  548134.0468  0.0617 -5.2960 3  676.3545808  595161404502922 2    493019 2      C-13-H3C(O)CH3
  548211.0908  0.0148 -5.6994 3   70.1563344  59516140421 219 0    20 020 0      C-13-H3C(O)CH3
  548211.0908  0.0148 -5.6994 3   70.1563344  59516140421 319 0    20 120 0      C-13-H3C(O)CH3
  548226.3243  0.0605 -6.2488 3  689.7534792  595161404493614 2    493317 2      C-13-H3C(O)CH3
  548274.2843  0.0041 -3.1541 3  240.7682456 -5951614042826 2 2    2725 2 2      C-13-H3C(O)CH3
  548274.7471  0.0392 -6.2844 3  614.2325744  595161404463511 1    463214 1      C-13-H3C(O)CH3
  548285.0628  0.0042 -3.1540 3  240.7495456 -5951614042826 2 1    2725 2 1      C-13-H3C(O)CH3
  548290.3453  0.0377 -6.2858 3  614.2127744  595161404463511 0    463214 0      C-13-H3C(O)CH3
  548345.4074  0.0377 -6.2858 3  614.2109744  595161404463512 0    463215 0      C-13-H3C(O)CH3
  548346.9008  0.0049 -3.4549 3  240.6837228  5951614042826 3 3    2725 3 3      C-13-H3C(O)CH3
  548362.4243  0.1755 -5.8103 3 1485.6227D36  595161404831965 0    831766 0      C-13-H3C(O)CH3
  548362.4243  0.1755 -5.8103 3 1485.6227D36  595161404831865 0    831866 0      C-13-H3C(O)CH3
  548385.9522  0.1547 -5.4292 3  697.2452A48  59516140465 164 2    65 165 2      C-13-H3C(O)CH3
  548385.9522  0.1547 -5.4292 3  697.2452A48  59516140465 264 2    65 065 2      C-13-H3C(O)CH3
  548385.9522  0.1547 -6.4453 3  697.2452A48  59516140465 264 2    65 165 2      C-13-H3C(O)CH3
  548385.9522  0.1547 -6.4453 3  697.2452A48  59516140465 164 2    65 065 2      C-13-H3C(O)CH3
  548390.2238  0.1583 -5.6182 3  697.2455A48  59516140465 264 1    65 065 1      C-13-H3C(O)CH3
  548390.2238  0.1583 -5.7771 3  697.2455A48  59516140465 264 1    65 165 1      C-13-H3C(O)CH3
  548390.2238  0.1583 -5.6182 3  697.2455A48  59516140465 164 1    65 165 1      C-13-H3C(O)CH3
  548390.2238  0.1583 -5.7771 3  697.2455A48  59516140465 164 1    65 065 1      C-13-H3C(O)CH3
  548397.0557  0.0401 -6.2855 3  614.2010744  595161404463512 1    463215 1      C-13-H3C(O)CH3
  548397.5005  0.0604 -5.5928 3  676.3382404  595161404502922 4    493019 4      C-13-H3C(O)CH3
  548403.7901  0.0049 -3.4548 3  240.6988228  5951614042826 2 3    2725 2 3      C-13-H3C(O)CH3
  548410.4568  0.2097 -5.8712 3 1485.6407D36  595161404831965 1    831766 1      C-13-H3C(O)CH3
  548410.4568  0.2097 -5.8712 3 1485.6407D36  595161404831865 1    831866 1      C-13-H3C(O)CH3
  548418.8512  0.2071 -5.8106 3 1485.6414D36  595161404831965 2    831766 2      C-13-H3C(O)CH3
  548418.8512  0.2071 -5.8106 3 1485.6414D36  595161404831865 2    831866 2      C-13-H3C(O)CH3
  548427.2685  0.0039 -3.1538 3  240.8076456 -5951614042826 3 0    2725 2 0      C-13-H3C(O)CH3
  548427.2685  0.0039 -3.1538 3  240.8076456 -5951614042826 2 0    2725 3 0      C-13-H3C(O)CH3
  548440.2472  0.0655 -5.5922 3  676.3370404  595161404502922 3    493019 3      C-13-H3C(O)CH3
  548466.9901  0.1257 -6.2634 3 1485.6593668  595161404831865 3    831766 3      C-13-H3C(O)CH3
  548466.9901  0.1257 -6.2634 3 1485.6593668  595161404831965 3    831866 3      C-13-H3C(O)CH3
  548467.1281  0.1257 -6.1133 3 1485.6593668  595161404831865 4    831766 4      C-13-H3C(O)CH3
  548467.1281  0.1257 -6.1133 3 1485.6593668  595161404831965 4    831866 4      C-13-H3C(O)CH3
  548475.5729  0.0769 -5.3062 3  637.0737776  595161404483118 2    473215 2      C-13-H3C(O)CH3
  548488.5257  0.0040 -3.1537 3  240.7417456 -5951614042826 3 2    2725 3 2      C-13-H3C(O)CH3
  548532.2466  0.0042 -4.5837 3  470.8245372 -595161404461234 3    451333 3      C-13-H3C(O)CH3
  548532.2466  0.0042 -3.8989 3  470.8245372 -595161404461234 3    451233 3      C-13-H3C(O)CH3
  548532.2466  0.0042 -4.4141 3  470.8245372 -595161404461234 4    451333 4      C-13-H3C(O)CH3
  548532.2466  0.0042 -3.9440 3  470.8245372 -595161404461234 4    451233 4      C-13-H3C(O)CH3
  548532.2466  0.0042 -3.8989 3  470.8245372 -595161404461334 3    451333 3      C-13-H3C(O)CH3
  548532.2466  0.0042 -4.4141 3  470.8245372 -595161404461334 4    451233 4      C-13-H3C(O)CH3
  548532.2466  0.0042 -4.5837 3  470.8245372 -595161404461334 3    451233 3      C-13-H3C(O)CH3
  548532.2466  0.0042 -3.9440 3  470.8245372 -595161404461334 4    451333 4      C-13-H3C(O)CH3
  548534.5736  0.0049 -3.9446 3  470.8544744  595161404461234 1    451333 1      C-13-H3C(O)CH3
  548534.5736  0.0049 -3.6476 3  470.8544744  595161404461334 1    451233 1      C-13-H3C(O)CH3
  548534.6003  0.0049 -4.1001 3  470.8544744 -595161404461234 1    451233 1      C-13-H3C(O)CH3
  548534.6003  0.0049 -3.7191 3  470.8544744 -595161404461334 1    451333 1      C-13-H3C(O)CH3
  548536.4118  0.0049 -3.5168 3  470.8536744 -595161404461334 2    451233 2      C-13-H3C(O)CH3
  548536.4118  0.0049 -3.5168 3  470.8536744 -595161404461234 2    451333 2      C-13-H3C(O)CH3
  548538.5785  0.0034 -3.6981 3  470.8835744 -595161404461334 0    451233 0      C-13-H3C(O)CH3
  548538.5785  0.0034 -3.9824 3  470.8835744 -595161404461234 0    451233 0      C-13-H3C(O)CH3
  548538.5785  0.0034 -3.6981 3  470.8835744 -595161404461234 0    451333 0      C-13-H3C(O)CH3
  548538.5785  0.0034 -3.9824 3  470.8835744 -595161404461334 0    451333 0      C-13-H3C(O)CH3
  548556.1027  0.0041 -3.1535 3  240.7381456 -5951614042826 3 1    2725 3 1      C-13-H3C(O)CH3
  548617.3311  0.0054 -3.4544 3  240.6724228  5951614042826 3 4    2725 3 4      C-13-H3C(O)CH3
  548651.5154  0.0685 -5.1758 3  737.0832A64  59516140466 264 0    66 165 0      C-13-H3C(O)CH3
  548651.5154  0.0685 -5.1758 3  737.0832A64  59516140466 364 0    66 265 0      C-13-H3C(O)CH3
  548676.6251  0.0392 -6.2877 3  614.2087744  595161404463512 2    463215 2      C-13-H3C(O)CH3
  548721.6000  0.0030 -3.7842 3  510.5002436  59516140454 351 4    53 350 4      C-13-H3C(O)CH3
  548721.6000  0.0030 -4.4239 3  510.5002436  59516140454 451 4    53 350 4      C-13-H3C(O)CH3
  548721.6119  0.0029 -4.0152 3  510.5001436  59516140454 351 3    53 450 3      C-13-H3C(O)CH3
  548721.6119  0.0029 -3.9769 3  510.5001436  59516140454 451 3    53 450 3      C-13-H3C(O)CH3
  548721.6284  0.0029 -4.0152 3  510.5001436 -59516140454 451 3    53 350 3      C-13-H3C(O)CH3
  548721.6284  0.0029 -3.9769 3  510.5001436 -59516140454 351 3    53 350 3      C-13-H3C(O)CH3
  548721.6284  0.0030 -3.7842 3  510.5002436 -59516140454 451 4    53 450 4      C-13-H3C(O)CH3
  548721.6284  0.0030 -4.4239 3  510.5002436 -59516140454 351 4    53 450 4      C-13-H3C(O)CH3
  548752.1169  0.0042 -4.1720 3  510.4972872  59516140454 451 1    53 350 1      C-13-H3C(O)CH3
  548752.1169  0.0042 -3.4726 3  510.4972872  59516140454 351 1    53 350 1      C-13-H3C(O)CH3
  548752.1500  0.0042 -3.4726 3  510.4972872 -59516140454 451 1    53 450 1      C-13-H3C(O)CH3
  548752.1500  0.0041 -3.4187 3  510.4968872 -59516140454 351 2    53 450 2      C-13-H3C(O)CH3
  548752.1500  0.0042 -4.1720 3  510.4972872 -59516140454 351 1    53 450 1      C-13-H3C(O)CH3
  548752.1500  0.0041 -4.6418 3  510.4968872 -59516140454 451 2    53 450 2      C-13-H3C(O)CH3
  548752.2114  0.0041 -4.6418 3  510.4968872  59516140454 351 2    53 350 2      C-13-H3C(O)CH3
  548752.2114  0.0041 -3.4187 3  510.4968872  59516140454 451 2    53 350 2      C-13-H3C(O)CH3
  548782.6357  0.0031 -3.3958 3  510.4939872 -59516140454 451 0    53 350 0      C-13-H3C(O)CH3
  548782.6357  0.0031 -3.4074 3  510.4939872 -59516140454 351 0    53 450 0      C-13-H3C(O)CH3
  548782.6357  0.0031 -5.6682 3  510.4939872 -59516140454 351 0    53 350 0      C-13-H3C(O)CH3
  548782.6357  0.0031 -4.8943 3  510.4939872 -59516140454 451 0    53 450 0      C-13-H3C(O)CH3
  548826.8179  0.0414 -5.8138 3  918.5571904  595161404564314 0    554411 0      C-13-H3C(O)CH3
  548826.8183  0.0414 -5.8138 3  918.5571904  595161404564313 0    554412 0      C-13-H3C(O)CH3
  548906.6504  0.0507 -5.2354 3  637.0573776  595161404483118 1    473215 1      C-13-H3C(O)CH3
  548909.1478  0.0492 -5.8141 3  918.5809904  595161404564314 1    554412 1      C-13-H3C(O)CH3
  548926.6964  0.1677 -5.7512 3 1435.8725D20  595161404821865 0    821666 0      C-13-H3C(O)CH3
  548926.6964  0.1677 -5.7512 3 1435.8725D20  595161404821765 0    821766 0      C-13-H3C(O)CH3
  548974.8785  0.0664 -5.3676 3  637.0645388  595161404483118 3    473215 3      C-13-H3C(O)CH3
  548997.0032  0.2034 -5.9695 3 1435.8873D20  595161404821865 1    821766 1      C-13-H3C(O)CH3
  548997.0032  0.2034 -6.1002 3 1435.8873D20  595161404821865 1    821666 1      C-13-H3C(O)CH3
  548997.0032  0.2034 -6.1002 3 1435.8873D20  595161404821765 1    821766 1      C-13-H3C(O)CH3
  548997.0032  0.2034 -5.9695 3 1435.8873D20  595161404821765 1    821666 1      C-13-H3C(O)CH3
  549004.0581  0.2017 -5.8648 3 1435.8877D20  595161404821765 2    821666 2      C-13-H3C(O)CH3
  549004.0581  0.2017 -6.2998 3 1435.8877D20  595161404821765 2    821766 2      C-13-H3C(O)CH3
  549004.0581  0.2017 -5.8648 3 1435.8877D20  595161404821865 2    821766 2      C-13-H3C(O)CH3
  549004.0581  0.2017 -6.2998 3 1435.8877D20  595161404821865 2    821666 2      C-13-H3C(O)CH3
  549013.1712  0.0458 -5.8140 3  918.5830904  595161404564313 1    554411 1      C-13-H3C(O)CH3
  549064.6427  0.0498 -5.8138 3  918.5938904  595161404564313 2    554411 2      C-13-H3C(O)CH3
  549074.4902  0.1202 -6.0348 3 1435.9025660  595161404821765 3    821766 3      C-13-H3C(O)CH3
  549074.4902  0.1202 -6.0348 3 1435.9025660  595161404821865 3    821666 3      C-13-H3C(O)CH3
  549074.6581  0.1202 -6.0298 3 1435.9025660  595161404821865 4    821666 4      C-13-H3C(O)CH3
  549074.6581  0.1202 -6.0298 3 1435.9025660  595161404821765 4    821766 4      C-13-H3C(O)CH3
  549097.7149  0.0476 -5.8142 3  918.5782904  595161404564314 2    554412 2      C-13-H3C(O)CH3
  549116.5818  0.0104 -5.3273 3  127.0631360  5951614042216 7 1    2113 9 1      C-13-H3C(O)CH3
  549147.4432  0.0641 -6.1150 3  918.6176452  595161404564313 3    554411 3      C-13-H3C(O)CH3
  549181.9053  0.0644 -6.1154 3  918.6019452  595161404564314 4    554412 4      C-13-H3C(O)CH3
  549211.5669  0.0114 -4.1563 3  384.6879308  595161404382117 3    372216 3      C-13-H3C(O)CH3
  549218.4297  0.0103 -4.1562 3  384.6878308  595161404382117 4    372216 4      C-13-H3C(O)CH3
  549243.1268  0.0105 -3.8553 3  384.7092616  595161404382117 2    372216 2      C-13-H3C(O)CH3
  549251.3393  0.0645 -6.1150 3  918.6197452  595161404564313 4    554411 4      C-13-H3C(O)CH3
  549285.0681  0.0612 -6.1153 3  918.6041452  595161404564314 3    554412 3      C-13-H3C(O)CH3
  549339.1773  0.0104 -6.1394 3  127.0710180  5951614042216 7 3    2113 9 3      C-13-H3C(O)CH3
  549351.2360  0.0080 -3.8542 3  384.7148616  595161404382117 1    372216 1      C-13-H3C(O)CH3
  549352.0774  0.1177 -6.2743 3  828.1436872  595161404543816 0    543519 0      C-13-H3C(O)CH3
  549354.6046  0.1182 -5.3993 3  697.1814A48  59516140465 164 0    65 165 0      C-13-H3C(O)CH3
  549354.6046  0.1182 -5.3993 3  697.1814A48  59516140465 264 0    65 065 0      C-13-H3C(O)CH3
  549381.5495  0.0078 -3.8544 3  384.7361616  595161404382117 0    372216 0      C-13-H3C(O)CH3
  549385.8306  0.0465 -5.7541 3  637.0508388  595161404483118 3    473216 3      C-13-H3C(O)CH3
  549400.8706  0.0105 -6.1336 3  365.5333616  595161404381721 2    381424 2      C-13-H3C(O)CH3
  549401.5989  0.0105 -6.1336 3  365.5333616  595161404381821 2    381524 2      C-13-H3C(O)CH3
  549411.5818  0.0091 -6.1328 3  365.5617616  595161404381721 0    381424 0      C-13-H3C(O)CH3
  549412.2631  0.0091 -6.1328 3  365.5617616  595161404381821 0    381524 0      C-13-H3C(O)CH3
  549422.1395  0.0110 -6.4336 3  365.5067308  595161404381721 4    381424 4      C-13-H3C(O)CH3
  549422.3091  0.0109 -6.4336 3  365.5067308  595161404381721 3    381424 3      C-13-H3C(O)CH3
  549422.8821  0.0110 -6.4336 3  365.5067308  595161404381821 4    381524 4      C-13-H3C(O)CH3
  549423.0549  0.0109 -6.4336 3  365.5067308  595161404381821 3    381524 3      C-13-H3C(O)CH3
  549432.9145  0.0104 -6.1321 3  365.5351616  595161404381721 1    381424 1      C-13-H3C(O)CH3
  549433.6118  0.0104 -6.1321 3  365.5351616  595161404381821 1    381524 1      C-13-H3C(O)CH3
  549474.2415  0.1563 -5.6567 3 1386.6981D04  595161404811765 0    811566 0      C-13-H3C(O)CH3
  549474.2415  0.1563 -5.6567 3 1386.6981D04  595161404811665 0    811666 0      C-13-H3C(O)CH3
  549492.5029  0.0318 -6.0295 3  250.0063244  5951614043022 9 4    2921 8 4      C-13-H3C(O)CH3
  549507.3076  0.0318 -4.9172 3  637.0364776  595161404483118 0    473215 0      C-13-H3C(O)CH3
  549541.4103  0.0101 -5.3646 3  127.0603360  5951614042216 7 2    2113 9 2      C-13-H3C(O)CH3
  549552.7940  0.0041 -4.9825 3  479.4469380 -595161404471136 4    461235 4      C-13-H3C(O)CH3
  549552.7940  0.0041 -3.8340 3  479.4469380 -595161404471136 4    461135 4      C-13-H3C(O)CH3
  549552.7940  0.0041 -4.9825 3  479.4469380 -595161404471236 4    461135 4      C-13-H3C(O)CH3
  549552.7940  0.0041 -3.8959 3  479.4469380 -595161404471236 3    461135 3      C-13-H3C(O)CH3
  549552.7940  0.0041 -3.8340 3  479.4469380 -595161404471236 4    461235 4      C-13-H3C(O)CH3
  549552.7940  0.0041 -3.8959 3  479.4469380 -595161404471136 3    461235 3      C-13-H3C(O)CH3
  549552.7940  0.0041 -4.5245 3  479.4469380 -595161404471236 3    461235 3      C-13-H3C(O)CH3
  549552.7940  0.0041 -4.5245 3  479.4469380 -595161404471136 3    461135 3      C-13-H3C(O)CH3
  549558.5990  0.0050 -4.0401 3  479.4768760 -595161404471136 1    461235 1      C-13-H3C(O)CH3
  549558.5990  0.0050 -3.6522 3  479.4768760 -595161404471236 1    461235 1      C-13-H3C(O)CH3
  549558.5990  0.0050 -3.6522 3  479.4768760 -595161404471136 1    461135 1      C-13-H3C(O)CH3
  549558.5990  0.0050 -4.0401 3  479.4768760 -595161404471236 1    461135 1      C-13-H3C(O)CH3
  549560.0906  0.0050 -3.6174 3  479.4761760 -595161404471136 2    461235 2      C-13-H3C(O)CH3
  549560.0906  0.0050 -3.6174 3  479.4761760 -595161404471236 2    461135 2      C-13-H3C(O)CH3
  549560.0906  0.0050 -4.1392 3  479.4761760 -595161404471236 2    461235 2      C-13-H3C(O)CH3
  549560.0906  0.0050 -4.1392 3  479.4761760 -595161404471136 2    461135 2      C-13-H3C(O)CH3
  549565.6708  0.0034 -3.5598 3  479.5060760 -595161404471236 0    461235 0      C-13-H3C(O)CH3
  549565.6708  0.0034 -4.4168 3  479.5060760 -595161404471136 0    461235 0      C-13-H3C(O)CH3
  549565.6708  0.0034 -3.5598 3  479.5060760 -595161404471136 0    461135 0      C-13-H3C(O)CH3
  549565.7005  0.0034 -4.4168 3  479.5060760  595161404471236 0    461135 0      C-13-H3C(O)CH3
  549566.6804  0.1910 -6.0015 3 1386.7089D04  595161404811765 1    811666 1      C-13-H3C(O)CH3
  549566.6804  0.1910 -5.9064 3 1386.7089D04  595161404811765 1    811566 1      C-13-H3C(O)CH3
  549566.6804  0.1910 -5.9064 3 1386.7089D04  595161404811665 1    811666 1      C-13-H3C(O)CH3
  549566.6804  0.1910 -6.0015 3 1386.7089D04  595161404811665 1    811566 1      C-13-H3C(O)CH3
  549572.2415  0.1902 -5.6601 3 1386.7090D04  595161404811665 2    811666 2      C-13-H3C(O)CH3
  549572.2415  0.1902 -5.6601 3 1386.7090D04  595161404811765 2    811566 2      C-13-H3C(O)CH3
  549664.8224  0.1135 -6.2631 3 1386.7198652  595161404811665 3    811566 3      C-13-H3C(O)CH3
  549664.8224  0.1135 -6.2631 3 1386.7198652  595161404811765 3    811666 3      C-13-H3C(O)CH3
  549664.8224  0.1135 -6.2417 3 1386.7198652  595161404811665 3    811666 3      C-13-H3C(O)CH3
  549664.8224  0.1135 -6.2417 3 1386.7198652  595161404811765 3    811566 3      C-13-H3C(O)CH3
  549665.0182  0.1136 -5.9800 3 1386.7198652  595161404811765 4    811566 4      C-13-H3C(O)CH3
  549665.0182  0.1136 -5.9800 3 1386.7198652  595161404811665 4    811666 4      C-13-H3C(O)CH3
  549701.8715  0.0041 -3.5469 3  244.4178236  5951614042924 5 4    2823 5 4      C-13-H3C(O)CH3
  549827.0455  0.0034 -3.2455 3  244.4383472 -5951614042924 5 1    2823 5 1      C-13-H3C(O)CH3
  549859.1799  0.0031 -5.1474 3  514.2095444  59516140455 353 3    54 252 3      C-13-H3C(O)CH3
  549859.1799  0.0031 -5.1474 3  514.2095444  59516140455 253 3    54 352 3      C-13-H3C(O)CH3
  549859.1869  0.0031 -3.6818 3  514.2095444  59516140455 353 4    54 352 4      C-13-H3C(O)CH3
  549859.2079  0.0031 -3.6967 3  514.2095444 -59516140455 353 3    54 352 3      C-13-H3C(O)CH3
  549859.2079  0.0031 -3.6967 3  514.2095444 -59516140455 253 3    54 252 3      C-13-H3C(O)CH3
  549859.2079  0.0031 -3.6818 3  514.2095444 -59516140455 253 4    54 252 4      C-13-H3C(O)CH3
  549861.8277  0.0395 -5.1446 3  637.0274776  595161404483118 2    473216 2      C-13-H3C(O)CH3
  549862.6662  0.0038 -3.5467 3  244.3921236  5951614042924 6 3    2823 6 3      C-13-H3C(O)CH3
  549864.2042  0.0035 -3.2454 3  244.4535472 -5951614042924 5 2    2823 5 2      C-13-H3C(O)CH3
  549873.4928  0.1317 -6.4267 3  828.1678872  595161404543816 1    543519 1      C-13-H3C(O)CH3
  549886.0603  0.0043 -3.8433 3  514.1914888 -59516140455 253 2    54 252 2      C-13-H3C(O)CH3
  549886.0603  0.0043 -3.5639 3  514.1914888 -59516140455 353 2    54 252 2      C-13-H3C(O)CH3
  549886.0603  0.0044 -3.4654 3  514.1919888 -59516140455 353 1    54 352 1      C-13-H3C(O)CH3
  549886.0603  0.0044 -4.1313 3  514.1919888 -59516140455 253 1    54 352 1      C-13-H3C(O)CH3
  549886.1055  0.0044 -3.4654 3  514.1919888  59516140455 253 1    54 252 1      C-13-H3C(O)CH3
  549886.1055  0.0044 -4.1313 3  514.1919888  59516140455 353 1    54 252 1      C-13-H3C(O)CH3
  549886.1164  0.0043 -3.5639 3  514.1914888  59516140455 253 2    54 352 2      C-13-H3C(O)CH3
  549886.1164  0.0043 -3.8433 3  514.1914888  59516140455 353 2    54 352 2      C-13-H3C(O)CH3
  549898.6780  0.0099 -5.3001 3  127.0710180  5951614042216 6 3    2113 9 3      C-13-H3C(O)CH3
  549912.9384  0.0032 -3.9073 3  514.1738888 -59516140455 353 0    54 252 0      C-13-H3C(O)CH3
  549912.9384  0.0032 -3.9073 3  514.1738888 -59516140455 253 0    54 352 0      C-13-H3C(O)CH3
  549912.9813  0.0032 -3.5336 3  514.1738888  59516140455 353 0    54 352 0      C-13-H3C(O)CH3
  549912.9813  0.0032 -3.5336 3  514.1738888  59516140455 253 0    54 252 0      C-13-H3C(O)CH3
  549926.4307  0.0188 -5.3642 3  250.0198488  5951614043022 9 1    2921 8 1      C-13-H3C(O)CH3
  549926.7205  0.0038 -3.5464 3  244.3929236  5951614042924 5 3    2823 5 3      C-13-H3C(O)CH3
  549930.8466  0.0311 -6.3588 3  558.4100728  595161404452916 0    452421 0      C-13-H3C(O)CH3
  549943.5092  0.0335 -5.2016 3  637.0227776  595161404483118 1    473216 1      C-13-H3C(O)CH3
  549985.7435  0.0047 -4.3685 3  174.8066212  595161404261611 4    251312 4      C-13-H3C(O)CH3
  549989.1380  0.0029 -3.2451 3  244.4739472 -5951614042924 6 0    2823 5 0      C-13-H3C(O)CH3
  549989.1380  0.0029 -3.2451 3  244.4739472 -5951614042924 5 0    2823 6 0      C-13-H3C(O)CH3
  549997.9562  0.0465 -5.3592 3  637.0178388  595161404483118 4    473216 4      C-13-H3C(O)CH3
  550006.9146  0.1417 -5.5822 3 1338.1003C88  595161404801665 0    801466 0      C-13-H3C(O)CH3
  550006.9146  0.1417 -5.5822 3 1338.1003C88  595161404801565 0    801566 0      C-13-H3C(O)CH3
  550006.9457  0.0052 -4.3685 3  174.8064212  595161404261611 3    251312 3      C-13-H3C(O)CH3
  550024.1305  0.0031 -3.2452 3  244.4279472 -5951614042924 6 2    2823 6 2      C-13-H3C(O)CH3
  550050.8954  0.0030 -3.2451 3  244.4134472 -5951614042924 6 1    2823 6 1      C-13-H3C(O)CH3
  550064.5229  0.1238 -6.4053 3  828.1733872  595161404543816 2    543519 2      C-13-H3C(O)CH3
  550086.7894  0.0037 -3.5462 3  244.3674236  5951614042924 6 4    2823 6 4      C-13-H3C(O)CH3
  550120.2172  0.1732 -5.5798 3 1338.1062C88  595161404801565 1    801466 1      C-13-H3C(O)CH3
  550120.2172  0.1732 -5.5798 3 1338.1062C88  595161404801665 1    801566 1      C-13-H3C(O)CH3
  550122.0189  0.0401 -6.4558 3  540.9990712  595161404443014 0    442519 0      C-13-H3C(O)CH3
  550124.2420  0.1732 -5.6225 3 1338.1062C88  595161404801665 2    801466 2      C-13-H3C(O)CH3
  550124.2420  0.1732 -5.6225 3 1338.1062C88  595161404801565 2    801566 2      C-13-H3C(O)CH3
  550130.7858  0.0053 -4.0675 3  174.8124424  595161404261611 1    251312 1      C-13-H3C(O)CH3
  550140.8177  0.0839 -6.4459 3 1092.0257968  595161404605011 1    5951 9 1      C-13-H3C(O)CH3
  550194.4850  0.2512 -6.2001 3  979.5797968  595161404603426 1    593723 1      C-13-H3C(O)CH3
  550202.8813  0.0051 -4.0683 3  174.8061424  595161404261611 2    251312 2      C-13-H3C(O)CH3
  550237.6998  0.1059 -5.9778 3 1338.1121644  595161404801665 3    801566 3      C-13-H3C(O)CH3
  550237.6998  0.1059 -5.9778 3 1338.1121644  595161404801565 3    801466 3      C-13-H3C(O)CH3
  550237.9191  0.1060 -6.0920 3 1338.1121644  595161404801665 4    801466 4      C-13-H3C(O)CH3
  550237.9191  0.1060 -6.0920 3 1338.1121644  595161404801565 4    801566 4      C-13-H3C(O)CH3
  550237.9191  0.1060 -6.2816 3 1338.1121644  595161404801565 4    801466 4      C-13-H3C(O)CH3
  550237.9191  0.1060 -6.2816 3 1338.1121644  595161404801665 4    801566 4      C-13-H3C(O)CH3
  550238.7337  0.0421 -5.4127 3  802.1259856  595161404533816 2    523914 2      C-13-H3C(O)CH3
  550262.5622  0.3199 -6.1993 3  979.5798968  595161404603426 2    593723 2      C-13-H3C(O)CH3
  550264.1304  0.0422 -5.4129 3  802.0922856  595161404533816 0    523913 0      C-13-H3C(O)CH3
  550265.3856  0.0422 -5.4129 3  802.0922856  595161404533815 0    523914 0      C-13-H3C(O)CH3
  550268.3250  0.0964 -6.4464 3 1092.0113968  595161404605011 2    5951 9 2      C-13-H3C(O)CH3
  550282.4772  0.0291 -5.0296 3  249.9911244  5951614043022 9 3    2921 8 3      C-13-H3C(O)CH3
  550284.4511  0.0320 -6.3615 3  558.3925728  595161404452916 1    452421 1      C-13-H3C(O)CH3
  550306.0385  0.2136 -6.1116 3  938.4967952  595161404593327 0    583424 0      C-13-H3C(O)CH3
  550318.9907  0.0447 -5.7138 3  802.1448428  595161404533816 4    523914 4      C-13-H3C(O)CH3
  550334.7074  0.0056 -4.0683 3  174.8121424  595161404261611 0    251312 0      C-13-H3C(O)CH3
  550335.7103  0.0242 -4.8296 3  250.0231488  5951614043022 9 2    2921 8 2      C-13-H3C(O)CH3
  550338.8655  0.0879 -6.4462 3 1092.0393968  595161404605010 1    5951 8 1      C-13-H3C(O)CH3
  550339.4350  0.0834 -6.4457 3 1092.0130968  595161404605010 0    5951 8 0      C-13-H3C(O)CH3
  550339.4350  0.0834 -6.4457 3 1092.0130968  595161404605011 0    5951 9 0      C-13-H3C(O)CH3
  550344.5564  0.0445 -5.4129 3  802.1112856  595161404533816 1    523914 1      C-13-H3C(O)CH3
  550349.3406  0.0070 -6.3350 3   75.2293296  5951614041811 8 2    17 611 2      C-13-H3C(O)CH3
  550357.2463  0.0145 -6.0132 3  534.7494728  595161404452322 0    452025 0      C-13-H3C(O)CH3
  550379.4373  0.0068 -6.3356 3   75.2306296  5951614041811 8 1    17 611 1      C-13-H3C(O)CH3
  550414.5123  0.0206 -6.0132 3  534.7266728  595161404452322 2    452025 2      C-13-H3C(O)CH3
  550420.4026  0.0431 -5.7139 3  802.1584428  595161404533816 3    523913 3      C-13-H3C(O)CH3
  550441.3820  0.0145 -6.0131 3  534.7494728  595161404452422 0    452125 0      C-13-H3C(O)CH3
  550447.1726  0.0417 -5.4129 3  802.1247856  595161404533815 1    523913 1      C-13-H3C(O)CH3
  550452.3333  0.0156 -6.0123 3  534.7284728  595161404452322 1    452025 1      C-13-H3C(O)CH3
  550501.9683  0.0043 -4.5394 3  134.7913196  595161404241014 3    23 915 3      C-13-H3C(O)CH3
  550502.0200  0.0059 -4.5394 3  134.7913196  595161404241014 4    23 915 4      C-13-H3C(O)CH3
  550503.3120  0.0346 -6.3666 3  558.3883728  595161404452916 2    452421 2      C-13-H3C(O)CH3
  550503.5534  0.0203 -6.0131 3  534.7266728  595161404452422 2    452125 2      C-13-H3C(O)CH3
  550506.1501  0.0041 -3.6801 3  250.0063244  5951614043022 8 4    2921 8 4      C-13-H3C(O)CH3
  550508.1300  0.0043 -4.5394 3  134.7913196  595161404241114 3    23 815 3      C-13-H3C(O)CH3
  550508.1420  0.0059 -4.5394 3  134.7913196  595161404241114 4    23 815 4      C-13-H3C(O)CH3
  550508.1782  0.0502 -5.4912 3  732.0702412  595161404513517 4    503615 4      C-13-H3C(O)CH3
  550509.7430  0.0216 -6.3132 3  534.7055364  595161404452322 3    452025 3      C-13-H3C(O)CH3
  550510.0851  0.0218 -6.3132 3  534.7055364  595161404452322 4    452025 4      C-13-H3C(O)CH3
  550526.8675  0.1245 -5.5424 3 1290.0799C72  595161404791465 0    791366 0      C-13-H3C(O)CH3
  550526.8675  0.1245 -5.5424 3 1290.0799C72  595161404791565 0    791466 0      C-13-H3C(O)CH3
  550534.0673  0.0401 -5.4128 3  802.1340856  595161404533815 2    523913 2      C-13-H3C(O)CH3
  550539.4108  0.0157 -6.0122 3  534.7284728  595161404452422 1    452125 1      C-13-H3C(O)CH3
  550559.6755  0.0470 -5.1904 3  732.0614824  595161404513517 2    503615 2      C-13-H3C(O)CH3
  550575.2983  0.0896 -6.4463 3 1092.0326968  595161404605010 2    5951 8 2      C-13-H3C(O)CH3
  550598.7965  0.0039 -4.9475 3  487.5180388 -595161404481038 3    471037 3      C-13-H3C(O)CH3
  550598.7965  0.0039 -3.8232 3  487.5180388 -595161404481038 3    471137 3      C-13-H3C(O)CH3
  550598.7965  0.0039 -4.3219 3  487.5179388 -595161404481038 4    471137 4      C-13-H3C(O)CH3
  550598.7965  0.0039 -3.9436 3  487.5179388 -595161404481138 4    471137 4      C-13-H3C(O)CH3
  550598.7965  0.0039 -3.9436 3  487.5179388 -595161404481038 4    471037 4      C-13-H3C(O)CH3
  550598.7965  0.0039 -4.9475 3  487.5180388 -595161404481138 3    471137 3      C-13-H3C(O)CH3
  550598.7965  0.0039 -4.3219 3  487.5179388 -595161404481138 4    471037 4      C-13-H3C(O)CH3
  550598.7965  0.0039 -3.8232 3  487.5180388 -595161404481138 3    471037 3      C-13-H3C(O)CH3
  550601.9279  0.0212 -6.3131 3  534.7055364  595161404452422 3    452125 3      C-13-H3C(O)CH3
  550602.0387  0.0214 -6.3131 3  534.7055364  595161404452422 4    452125 4      C-13-H3C(O)CH3
  550603.6031  0.0034 -3.3815 3  250.0198488 -5951614043022 8 1    2921 8 1      C-13-H3C(O)CH3
  550608.1761  0.0051 -4.6604 3  487.5476776 -595161404481138 1    471037 1      C-13-H3C(O)CH3
  550608.1761  0.0051 -3.5212 3  487.5476776 -595161404481138 1    471137 1      C-13-H3C(O)CH3
  550608.1761  0.0051 -4.6604 3  487.5476776 -595161404481038 1    471137 1      C-13-H3C(O)CH3
  550608.1761  0.0051 -3.5212 3  487.5476776 -595161404481038 1    471037 1      C-13-H3C(O)CH3
  550609.3925  0.0051 -3.8401 3  487.5470776 -595161404481038 2    471137 2      C-13-H3C(O)CH3
  550609.3925  0.0051 -3.7483 3  487.5470776 -595161404481038 2    471037 2      C-13-H3C(O)CH3
  550609.3925  0.0051 -3.7483 3  487.5470776 -595161404481138 2    471137 2      C-13-H3C(O)CH3
  550609.3925  0.0051 -3.8401 3  487.5470776 -595161404481138 2    471037 2      C-13-H3C(O)CH3
  550613.5316  0.0416 -5.7140 3  802.1530428  595161404533815 3    523914 3      C-13-H3C(O)CH3
  550618.7363  0.0034 -5.1310 3  487.5766776  595161404481138 0    471037 0      C-13-H3C(O)CH3
  550618.7363  0.0034 -3.5009 3  487.5766776  595161404481138 0    471137 0      C-13-H3C(O)CH3
  550618.7363  0.0034 -5.1310 3  487.5766776  595161404481038 0    471137 0      C-13-H3C(O)CH3
  550618.7363  0.0034 -3.5009 3  487.5766776  595161404481038 0    471037 0      C-13-H3C(O)CH3
  550628.9724  0.0040 -3.6981 3  249.9911244  5951614043022 8 3    2921 8 3      C-13-H3C(O)CH3
  550658.4072  0.1510 -5.5239 3 1290.0803C72  595161404791465 1    791466 1      C-13-H3C(O)CH3
  550658.4072  0.1510 -5.5239 3 1290.0803C72  595161404791565 1    791366 1      C-13-H3C(O)CH3
  550660.9656  0.1515 -5.5042 3 1290.0801C72  595161404791465 2    791366 2      C-13-H3C(O)CH3
  550660.9656  0.1515 -5.5042 3 1290.0801C72  595161404791565 2    791466 2      C-13-H3C(O)CH3
  550671.2345  0.0037 -3.3920 3  250.0231488 -5951614043022 8 2    2921 8 2      C-13-H3C(O)CH3
  550671.8537  0.0097 -5.7888 3   97.4233328  5951614042012 8 2    19 911 2      C-13-H3C(O)CH3
  550685.5633  0.0040 -3.6977 3  249.9776244  5951614043022 9 3    2921 9 3      C-13-H3C(O)CH3
  550689.9151  0.0447 -5.5016 3  732.0945412  595161404513517 3    503615 3      C-13-H3C(O)CH3
  550694.7606  0.0029 -3.3764 3  250.0381488 -5951614043022 9 0    2921 8 0      C-13-H3C(O)CH3
  550717.1671  0.0486 -5.7139 3  802.1665428  595161404533815 4    523913 4      C-13-H3C(O)CH3
  550725.8010  0.0101 -6.0959 3   97.4473164  5951614042012 8 3    19 911 3      C-13-H3C(O)CH3
  550737.1665  0.0472 -5.1908 3  732.0491824  595161404513517 1    503615 1      C-13-H3C(O)CH3
  550741.2344  0.0042 -4.2378 3  134.7789392  595161404241014 2    23 915 2      C-13-H3C(O)CH3
  550747.6005  0.0042 -4.2378 3  134.7789392  595161404241114 2    23 815 2      C-13-H3C(O)CH3
  550752.0641  0.0146 -6.0963 3   97.4474164  5951614042012 8 4    19 911 4      C-13-H3C(O)CH3
  550756.3840  0.0461 -5.1901 3  732.0403824  595161404513517 0    503614 0      C-13-H3C(O)CH3
  550757.0902  0.0069 -6.3323 3   75.1953296  5951614041811 8 0    17 611 0      C-13-H3C(O)CH3
  550767.8020  0.0042 -4.2379 3  134.7805392  595161404241014 1    23 915 1      C-13-H3C(O)CH3
  550773.9176  0.0042 -4.2379 3  134.7805392  595161404241114 1    23 815 1      C-13-H3C(O)CH3
  550779.4223  0.0031 -3.3813 3  249.9914488 -5951614043022 9 1    2921 9 1      C-13-H3C(O)CH3
  550792.6688  0.0976 -5.8180 3 1290.0805636  595161404791465 3    791466 3      C-13-H3C(O)CH3
  550792.6688  0.0976 -5.8180 3 1290.0805636  595161404791565 3    791366 3      C-13-H3C(O)CH3
  550792.9038  0.0977 -5.8031 3 1290.0805636  595161404791565 4    791366 4      C-13-H3C(O)CH3
  550792.9038  0.0977 -5.8031 3 1290.0805636  595161404791465 4    791466 4      C-13-H3C(O)CH3
  550808.4088  0.0034 -3.3922 3  250.0074488  5951614043022 9 2    2921 9 2      C-13-H3C(O)CH3
  550809.2282  0.0036 -3.6801 3  249.9624244  5951614043022 9 4    2921 9 4      C-13-H3C(O)CH3
  550828.2629  0.0462 -5.1900 3  732.0402824  595161404513516 0    503615 0      C-13-H3C(O)CH3
  550852.3307  0.0029 -3.3762 3  250.0344488 -5951614043022 8 0    2921 9 0      C-13-H3C(O)CH3
  550854.0751  0.0097 -5.7857 3   97.4015328  5951614042012 8 0    19 911 0      C-13-H3C(O)CH3
  550855.1765  0.0065 -4.9426 3  127.0531360  5951614042216 6 0    2113 9 0      C-13-H3C(O)CH3
  550877.0394  0.0330 -5.5016 3  732.0964412  595161404513516 3    503614 3      C-13-H3C(O)CH3
  550879.5620  0.2788 -6.1961 3  979.5584968  595161404603426 0    593723 0      C-13-H3C(O)CH3
  550918.0739  0.0097 -5.7920 3   97.4254328  5951614042012 8 1    19 911 1      C-13-H3C(O)CH3
  550927.0980  0.0387 -5.1903 3  732.0877824  595161404513516 2    503614 2      C-13-H3C(O)CH3
  550928.0357  0.0460 -5.1907 3  732.0734824  595161404513516 1    503614 1      C-13-H3C(O)CH3
  550929.4176  0.0102 -5.1700 3  127.0631360  5951614042216 6 1    2113 9 1      C-13-H3C(O)CH3
  550999.3693  0.0105 -5.1485 3  127.0603360  5951614042216 6 2    2113 9 2      C-13-H3C(O)CH3
  551006.5310  0.0043 -4.2372 3  134.7682392  595161404241014 0    23 915 0      C-13-H3C(O)CH3
  551006.7071  0.0038 -3.8321 3  517.3858452  59516140456 255 3    55 254 3      C-13-H3C(O)CH3
  551006.7071  0.0038 -4.1709 3  517.3858452  59516140456 155 3    55 254 3      C-13-H3C(O)CH3
  551006.7220  0.0038 -3.6689 3  517.3859452  59516140456 255 4    55 154 4      C-13-H3C(O)CH3
  551006.7220  0.0038 -5.4492 3  517.3859452  59516140456 155 4    55 154 4      C-13-H3C(O)CH3
  551006.7410  0.0038 -4.1709 3  517.3858452 -59516140456 255 3    55 154 3      C-13-H3C(O)CH3
  551006.7410  0.0038 -3.6755 3  517.3859452 -59516140456 155 4    55 254 4      C-13-H3C(O)CH3
  551006.7410  0.0038 -3.8321 3  517.3858452 -59516140456 155 3    55 154 3      C-13-H3C(O)CH3
  551012.8626  0.0043 -4.2372 3  134.7682392  595161404241114 0    23 815 0      C-13-H3C(O)CH3
  551025.4055  0.0048 -3.5081 3  517.3477904 -59516140456 255 2    55 154 2      C-13-H3C(O)CH3
  551025.4055  0.0048 -3.9243 3  517.3477904 -59516140456 155 2    55 154 2      C-13-H3C(O)CH3
  551025.4055  0.0052 -5.1870 3  517.3481904 -59516140456 255 1    55 154 1      C-13-H3C(O)CH3
  551025.4055  0.0052 -3.3737 3  517.3481904 -59516140456 155 1    55 154 1      C-13-H3C(O)CH3
  551025.4220  0.0052 -3.3737 3  517.3481904  59516140456 255 1    55 254 1      C-13-H3C(O)CH3
  551025.4220  0.0052 -5.1870 3  517.3481904  59516140456 155 1    55 254 1      C-13-H3C(O)CH3
  551025.4271  0.0048 -3.5081 3  517.3477904  59516140456 155 2    55 254 2      C-13-H3C(O)CH3
  551025.4271  0.0048 -3.9243 3  517.3477904  59516140456 255 2    55 254 2      C-13-H3C(O)CH3
  551032.0585  0.0289 -5.0287 3  249.9776244  5951614043022 8 3    2921 9 3      C-13-H3C(O)CH3
  551032.8769  0.1962 -6.1066 3  938.4793952  595161404593327 1    583424 1      C-13-H3C(O)CH3
  551036.5759  0.1057 -5.4335 3 1242.6374C56  595161404781465 0    781366 0      C-13-H3C(O)CH3
  551036.5759  0.1057 -5.4557 3 1242.6374C56  595161404781365 0    781266 0      C-13-H3C(O)CH3
  551044.0444  0.0039 -3.3821 3  517.3100904 -59516140456 155 0    55 154 0      C-13-H3C(O)CH3
  551044.0444  0.0039 -4.8347 3  517.3100904 -59516140456 155 0    55 254 0      C-13-H3C(O)CH3
  551044.0444  0.0039 -3.3821 3  517.3100904 -59516140456 255 0    55 254 0      C-13-H3C(O)CH3
  551044.0444  0.0039 -4.8347 3  517.3100904 -59516140456 255 0    55 154 0      C-13-H3C(O)CH3
  551047.3383  0.3011 -6.1064 3  938.4799952  595161404593327 2    583424 2      C-13-H3C(O)CH3
  551060.8850  0.0374 -5.4910 3  732.1208412  595161404513516 4    503614 4      C-13-H3C(O)CH3
  551127.3381  0.0699 -5.3986 3  608.8855380  595161404473017 4    463115 4      C-13-H3C(O)CH3
  551143.9570  0.0237 -4.8285 3  250.0074488  5951614043022 8 2    2921 9 2      C-13-H3C(O)CH3
  551182.1192  0.1259 -5.4456 3 1242.6318C56  595161404781465 1    781266 1      C-13-H3C(O)CH3
  551182.1192  0.1259 -5.4456 3 1242.6318C56  595161404781365 1    781366 1      C-13-H3C(O)CH3
  551183.3879  0.1265 -5.5665 3 1242.6316C56  595161404781365 2    781366 2      C-13-H3C(O)CH3
  551183.3879  0.1265 -6.0101 3 1242.6316C56  595161404781365 2    781266 2      C-13-H3C(O)CH3
  551183.3879  0.1265 -6.0101 3 1242.6316C56  595161404781465 2    781366 2      C-13-H3C(O)CH3
  551183.3879  0.1265 -5.5665 3 1242.6316C56  595161404781465 2    781266 2      C-13-H3C(O)CH3
  551237.8947  0.0072 -3.7311 3  240.0248488  595161404301911 2    291812 2      C-13-H3C(O)CH3
  551256.7448  0.0140 -5.5246 3  127.0697180  5951614042216 6 4    2113 9 4      C-13-H3C(O)CH3
  551300.5307  0.0059 -3.7314 3  240.0427488  595161404301911 0    291812 0      C-13-H3C(O)CH3
  551306.9967  0.0233 -6.4171 3  109.5683164  5951614042017 4 3    1914 5 3      C-13-H3C(O)CH3
  551329.0961  0.0891 -6.2963 3 1242.6259628  595161404781365 3    781266 3      C-13-H3C(O)CH3
  551329.0961  0.0891 -6.2963 3 1242.6259628  595161404781465 3    781366 3      C-13-H3C(O)CH3
  551329.0961  0.0891 -5.8726 3 1242.6259628  595161404781365 3    781366 3      C-13-H3C(O)CH3
  551329.0961  0.0891 -5.8726 3 1242.6259628  595161404781465 3    781266 3      C-13-H3C(O)CH3
  551329.3344  0.0891 -6.1580 3 1242.6259628  595161404781365 4    781266 4      C-13-H3C(O)CH3
  551329.3344  0.0891 -5.9388 3 1242.6259628  595161404781365 4    781366 4      C-13-H3C(O)CH3
  551329.3344  0.0891 -6.1580 3 1242.6259628  595161404781465 4    781366 4      C-13-H3C(O)CH3
  551329.3344  0.0891 -5.9388 3 1242.6259628  595161404781465 4    781266 4      C-13-H3C(O)CH3
  551355.5806  0.0092 -4.0344 3  240.0105244  595161404301911 4    291812 4      C-13-H3C(O)CH3
  551365.0711  0.0099 -4.0344 3  240.0107244  595161404301911 3    291812 3      C-13-H3C(O)CH3
  551383.0244  0.0790 -5.4833 3  581.3560372  595161404462917 4    453015 4      C-13-H3C(O)CH3
  551420.7214  0.0072 -3.7336 3  240.0286488  595161404301911 1    291812 1      C-13-H3C(O)CH3
  551421.1145  0.0140 -5.8972 3  109.5683164  5951614042017 3 3    1914 5 3      C-13-H3C(O)CH3
  551456.6025  0.0179 -5.3622 3  249.9914488  5951614043022 8 1    2921 9 1      C-13-H3C(O)CH3
  551538.8656  0.0864 -6.4638 3 1195.7735C40  595161404771365 0    771266 0      C-13-H3C(O)CH3
  551538.8656  0.0864 -5.4041 3 1195.7735C40  595161404771265 0    771266 0      C-13-H3C(O)CH3
  551538.8656  0.0864 -5.4041 3 1195.7735C40  595161404771365 0    771166 0      C-13-H3C(O)CH3
  551538.8656  0.0864 -6.4638 3 1195.7735C40  595161404771265 0    771166 0      C-13-H3C(O)CH3
  551551.9925  0.0129 -5.7798 3  109.4959164  5951614042017 4 4    1914 6 4      C-13-H3C(O)CH3
  551618.1082  0.0694 -6.2493 3 1044.5914952  595161404594812 1    584910 1      C-13-H3C(O)CH3
  551663.6343  0.0038 -3.7841 3  495.0411396 -59516140449 940 4    481039 4      C-13-H3C(O)CH3
  551663.6343  0.0038 -5.7846 3  495.0411396 -595161404491040 4    481039 4      C-13-H3C(O)CH3
  551663.6343  0.0038 -5.3445 3  495.0411396 -595161404491040 3    481039 3      C-13-H3C(O)CH3
  551663.6343  0.0038 -3.7841 3  495.0411396 -595161404491040 4    48 939 4      C-13-H3C(O)CH3
  551663.6343  0.0038 -3.7918 3  495.0411396 -595161404491040 3    48 939 3      C-13-H3C(O)CH3
  551663.6343  0.0038 -5.7846 3  495.0411396 -59516140449 940 4    48 939 4      C-13-H3C(O)CH3
  551663.6343  0.0038 -3.7918 3  495.0411396 -59516140449 940 3    481039 3      C-13-H3C(O)CH3
  551663.6343  0.0038 -5.3445 3  495.0411396 -59516140449 940 3    48 939 3      C-13-H3C(O)CH3
  551677.1492  0.0051 -3.5465 3  495.0700792 -595161404491040 1    48 939 1      C-13-H3C(O)CH3
  551677.1492  0.0051 -4.3194 3  495.0700792 -595161404491040 1    481039 1      C-13-H3C(O)CH3
  551677.1492  0.0051 -3.5465 3  495.0700792 -59516140449 940 1    481039 1      C-13-H3C(O)CH3
  551677.1492  0.0051 -4.3194 3  495.0700792 -59516140449 940 1    48 939 1      C-13-H3C(O)CH3
  551678.1045  0.0051 -3.7682 3  495.0695792 -59516140449 940 2    481039 2      C-13-H3C(O)CH3
  551678.1045  0.0051 -3.7682 3  495.0695792 -595161404491040 2    48 939 2      C-13-H3C(O)CH3
  551678.1045  0.0051 -3.7918 3  495.0695792 -595161404491040 2    481039 2      C-13-H3C(O)CH3
  551678.1045  0.0051 -3.7918 3  495.0695792 -59516140449 940 2    48 939 2      C-13-H3C(O)CH3
  551680.0045  0.1869 -6.3660 3  979.5584952  595161404594020 0    593723 0      C-13-H3C(O)CH3
  551691.4934  0.0034 -3.5626 3  495.0983792 -59516140449 940 0    481039 0      C-13-H3C(O)CH3
  551691.4934  0.0034 -4.9556 3  495.0983792 -59516140449 940 0    48 939 0      C-13-H3C(O)CH3
  551691.4934  0.0034 -3.4936 3  495.0983792 -595161404491040 0    48 939 0      C-13-H3C(O)CH3
  551691.4934  0.0034 -4.2348 3  495.0983792 -595161404491040 0    481039 0      C-13-H3C(O)CH3
  551692.3074  0.1000 -5.3853 3 1195.7616C40  595161404771365 1    771166 1      C-13-H3C(O)CH3
  551692.3074  0.1000 -5.3675 3 1195.7616C40  595161404771265 1    771266 1      C-13-H3C(O)CH3
  551692.5568  0.1006 -6.0014 3 1195.7614C40  595161404771265 2    771266 2      C-13-H3C(O)CH3
  551692.5568  0.1006 -5.4823 3 1195.7614C40  595161404771265 2    771166 2      C-13-H3C(O)CH3
  551692.5568  0.1006 -6.0014 3 1195.7614C40  595161404771365 2    771166 2      C-13-H3C(O)CH3
  551692.5568  0.1006 -5.4823 3 1195.7614C40  595161404771365 2    771266 2      C-13-H3C(O)CH3
  551698.3141  0.0662 -5.2058 3  608.8665760  595161404473017 2    463115 2      C-13-H3C(O)CH3
  551737.5040  0.0588 -6.2490 3 1044.5769952  595161404594812 0    5849 9 0      C-13-H3C(O)CH3
  551737.5040  0.0588 -6.2490 3 1044.5769952  595161404594811 0    584910 0      C-13-H3C(O)CH3
  551773.2100  0.2805 -6.4025 3  938.4626476  595161404593327 4    583424 4      C-13-H3C(O)CH3
  551781.4719  0.2827 -6.4024 3  938.4623476  595161404593327 3    583424 3      C-13-H3C(O)CH3
  551791.3464  0.0146 -5.7893 3  109.6204164  5951614042017 3 4    1914 5 4      C-13-H3C(O)CH3
  551795.6295  0.0757 -6.2497 3 1044.5790952  595161404594812 2    584910 2      C-13-H3C(O)CH3
  551822.8755  0.0309 -6.0263 3  249.9624244  5951614043022 8 4    2921 9 4      C-13-H3C(O)CH3
  551828.1181  0.0723 -6.2495 3 1044.6031952  595161404594811 1    5849 9 1      C-13-H3C(O)CH3
  551846.1573  0.0806 -5.7071 3 1195.7494620  595161404771365 3    771266 3      C-13-H3C(O)CH3
  551846.1573  0.0806 -5.7071 3 1195.7494620  595161404771265 3    771166 3      C-13-H3C(O)CH3
  551846.3805  0.0807 -5.6851 3 1195.7494620  595161404771365 4    771266 4      C-13-H3C(O)CH3
  551846.3805  0.0807 -5.6851 3 1195.7494620  595161404771265 4    771166 4      C-13-H3C(O)CH3
  551860.4713  0.0669 -5.9752 3  608.8542380  595161404473017 3    463115 3      C-13-H3C(O)CH3
  551914.6599  0.0146 -5.8975 3  109.5481164  5951614042017 4 3    1914 6 3      C-13-H3C(O)CH3
  551924.4395  0.0850 -6.4424 3  821.1978444  595161404553224 4    552927 4      C-13-H3C(O)CH3
  551928.3398  0.0840 -6.4424 3  821.1978444  595161404553224 3    552927 3      C-13-H3C(O)CH3
  551931.1116  0.1669 -6.3095 3 1039.4374A00  595161404623428 1    613725 1      C-13-H3C(O)CH3
  551935.9076  0.0032 -6.4648 3  257.8086504  595161404312012 1    301912 1      C-13-H3C(O)CH3
  551939.9056  0.0815 -6.1419 3  821.1963888  595161404553224 2    552927 2      C-13-H3C(O)CH3
  551957.1149  0.0711 -6.1416 3  821.1964888  595161404553224 1    552927 1      C-13-H3C(O)CH3
  551972.1560  0.0675 -6.1422 3  821.1948888  595161404553224 0    552927 0      C-13-H3C(O)CH3
  551994.3675  0.1478 -6.3091 3 1039.4378A00  595161404623428 2    613725 2      C-13-H3C(O)CH3
  552013.0224  0.0713 -5.3571 3  581.3432744  595161404462917 2    453015 2      C-13-H3C(O)CH3
  552025.3031  0.0742 -6.2494 3 1044.6025952  595161404594811 2    5849 9 2      C-13-H3C(O)CH3
  552028.7777  0.0224 -6.4158 3  109.5481164  5951614042017 3 3    1914 6 3      C-13-H3C(O)CH3
  552036.9356  0.0680 -6.0452 3 1149.4885C24  595161404761265 0    761066 0      C-13-H3C(O)CH3
  552036.9356  0.0680 -5.3089 3 1149.4885C24  595161404761165 0    761066 0      C-13-H3C(O)CH3
  552036.9356  0.0680 -5.3942 3 1149.4885C24  595161404761265 0    761166 0      C-13-H3C(O)CH3
  552059.4205  0.0677 -6.3317 3  581.3300372  595161404462917 3    453015 3      C-13-H3C(O)CH3
  552102.9006  0.1773 -6.3101 3 1039.4240A00  595161404623428 0    613725 0      C-13-H3C(O)CH3
  552120.8674  0.1126 -6.2707 3  828.0510872  595161404543817 0    543520 0      C-13-H3C(O)CH3
  552135.0807  0.0418 -5.2988 3  608.8507760  595161404473017 1    463115 1      C-13-H3C(O)CH3
  552165.4036  0.0060 -3.6545 3  520.0310460 -59516140457 057 4    56 156 4      C-13-H3C(O)CH3
  552165.4036  0.0060 -3.6547 3  520.0310460 -59516140457 057 3    56 156 3      C-13-H3C(O)CH3
  552165.4420  0.0060 -3.6545 3  520.0310460  59516140457 157 4    56 056 4      C-13-H3C(O)CH3
  552165.4550  0.0060 -3.6547 3  520.0310460  59516140457 157 3    56 056 3      C-13-H3C(O)CH3
  552169.3245  0.0094 -3.3534 3  519.9660920 -59516140457 057 1    56 056 1      C-13-H3C(O)CH3
  552169.3245  0.0088 -3.3533 3  519.9657920 -59516140457 157 2    56 056 2      C-13-H3C(O)CH3
  552169.3245  0.0094 -3.3534 3  519.9660920 -59516140457 157 1    56 156 1      C-13-H3C(O)CH3
  552169.3245  0.0088 -3.3533 3  519.9657920 -59516140457 057 2    56 156 2      C-13-H3C(O)CH3
  552173.1337  0.0068 -5.6273 3  519.9008920 -59516140457 057 0    56 156 0      C-13-H3C(O)CH3
  552173.1337  0.0068 -3.3554 3  519.9008920 -59516140457 157 0    56 156 0      C-13-H3C(O)CH3
  552173.1525  0.0068 -5.6273 3  519.9008920  59516140457 157 0    56 056 0      C-13-H3C(O)CH3
  552173.1525  0.0068 -3.3554 3  519.9008920  59516140457 057 0    56 056 0      C-13-H3C(O)CH3
  552189.5954  0.0770 -5.7468 3 1149.4702C24  595161404761165 2    761166 2      C-13-H3C(O)CH3
  552189.5954  0.0770 -5.5019 3 1149.4702C24  595161404761165 2    761066 2      C-13-H3C(O)CH3
  552189.5954  0.0770 -5.7468 3 1149.4702C24  595161404761265 2    761066 2      C-13-H3C(O)CH3
  552189.5954  0.0770 -5.5019 3 1149.4702C24  595161404761265 2    761166 2      C-13-H3C(O)CH3
  552190.0217  0.0771 -6.2852 3 1149.4704C24  595161404761165 1    761066 1      C-13-H3C(O)CH3
  552190.0217  0.0771 -6.2852 3 1149.4704C24  595161404761265 1    761166 1      C-13-H3C(O)CH3
  552190.0217  0.0771 -5.3544 3 1149.4704C24  595161404761265 1    761066 1      C-13-H3C(O)CH3
  552190.0217  0.0771 -5.3544 3 1149.4704C24  595161404761165 1    761166 1      C-13-H3C(O)CH3
  552204.7008  0.2772 -6.4579 3 1125.7241A32  595161404643926 0    643629 0      C-13-H3C(O)CH3
  552274.3581  0.0112 -5.4915 3  109.5868328  5951614042017 3 1    1914 5 1      C-13-H3C(O)CH3
  552302.0790  0.0108 -5.4871 3  109.5178328  5951614042017 4 1    1914 6 1      C-13-H3C(O)CH3
  552308.3754  0.1090 -6.4255 3  828.0687872  595161404543817 1    543520 1      C-13-H3C(O)CH3
  552313.7648  0.2032 -6.4580 3 1125.7373A32  595161404643926 2    643629 2      C-13-H3C(O)CH3
  552342.8256  0.0726 -5.6365 3 1149.4521612  595161404761165 3    761166 3      C-13-H3C(O)CH3
  552342.8256  0.0726 -5.6082 3 1149.4521612  595161404761165 3    761066 3      C-13-H3C(O)CH3
  552343.0088  0.0726 -5.6081 3 1149.4520612  595161404761265 4    761066 4      C-13-H3C(O)CH3
  552343.0088  0.0726 -5.6081 3 1149.4520612  595161404761165 4    761166 4      C-13-H3C(O)CH3
  552392.8943  0.2620 -6.4581 3 1125.7346A32  595161404643926 1    643629 1      C-13-H3C(O)CH3
  552395.8355  0.0404 -5.6435 3  875.9860888  595161404554115 0    544212 0      C-13-H3C(O)CH3
  552395.8506  0.0404 -5.6435 3  875.9860888  595161404554114 0    544213 0      C-13-H3C(O)CH3
  552417.9289  0.0105 -5.4913 3  109.5276328  5951614042017 4 2    1914 6 2      C-13-H3C(O)CH3
  552451.6359  0.0380 -6.3454 3  585.5142744  595161404463016 0    462521 0      C-13-H3C(O)CH3
  552476.3723  0.0560 -5.2125 3  608.8337380  595161404473017 3    463116 3      C-13-H3C(O)CH3
  552514.4830  0.1176 -6.4048 3  828.0706872  595161404543817 2    543520 2      C-13-H3C(O)CH3
  552518.9318  0.0383 -5.5448 3  581.3294744  595161404462917 1    453015 1      C-13-H3C(O)CH3
  552534.3775  0.0526 -5.2894 3 1103.7827C08  595161404751065 0    75 966 0      C-13-H3C(O)CH3
  552534.3775  0.0526 -6.3130 3 1103.7827C08  595161404751065 0    751066 0      C-13-H3C(O)CH3
  552534.3775  0.0526 -5.2894 3 1103.7827C08  595161404751165 0    751066 0      C-13-H3C(O)CH3
  552534.3775  0.0526 -6.3130 3 1103.7827C08  595161404751165 0    75 966 0      C-13-H3C(O)CH3
  552537.9217  0.0446 -5.6433 3  876.0248888  595161404554114 2    544212 2      C-13-H3C(O)CH3
  552548.2600  0.0437 -5.6436 3  876.0139888  595161404554114 1    544212 1      C-13-H3C(O)CH3
  552560.9673  0.0418 -5.6435 3  876.0113888  595161404554115 1    544213 1      C-13-H3C(O)CH3
  552594.4706  0.0106 -5.4963 3  109.5860328  5951614042017 3 2    1914 5 2      C-13-H3C(O)CH3
  552642.1456  0.0099 -6.1818 3  342.7325600  595161404371621 2    371324 2      C-13-H3C(O)CH3
  552642.3730  0.0099 -6.1818 3  342.7325600  595161404371721 2    371424 2      C-13-H3C(O)CH3
  552672.3631  0.0099 -6.1802 3  342.7342600  595161404371621 1    371324 1      C-13-H3C(O)CH3
  552672.5799  0.0099 -6.1802 3  342.7342600  595161404371721 1    371424 1      C-13-H3C(O)CH3
  552675.7025  0.0615 -6.2629 3 1103.7588C08  595161404751165 2    751066 2      C-13-H3C(O)CH3
  552675.7025  0.0615 -5.2941 3 1103.7588C08  595161404751165 2    75 966 2      C-13-H3C(O)CH3
  552675.7025  0.0615 -6.2629 3 1103.7588C08  595161404751065 2    75 966 2      C-13-H3C(O)CH3
  552675.7025  0.0615 -5.2941 3 1103.7588C08  595161404751065 2    751066 2      C-13-H3C(O)CH3
  552676.4172  0.0625 -5.4129 3 1103.7590C08  595161404751165 1    75 966 1      C-13-H3C(O)CH3
  552676.4172  0.0625 -5.7540 3 1103.7590C08  595161404751065 1    75 966 1      C-13-H3C(O)CH3
  552676.4172  0.0625 -5.4129 3 1103.7590C08  595161404751065 1    751066 1      C-13-H3C(O)CH3
  552676.4172  0.0625 -5.7540 3 1103.7590C08  595161404751165 1    751066 1      C-13-H3C(O)CH3
  552683.9557  0.0086 -6.1808 3  342.7596600  595161404371621 0    371324 0      C-13-H3C(O)CH3
  552684.1677  0.0086 -6.1808 3  342.7596600  595161404371721 0    371424 0      C-13-H3C(O)CH3
  552690.2038  0.0558 -5.9445 3  876.0527444  595161404554114 3    544212 3      C-13-H3C(O)CH3
  552699.5046  0.0441 -5.6436 3  876.0167888  595161404554115 2    544213 2      C-13-H3C(O)CH3
  552703.1461  0.0531 -5.9444 3  876.0500444  595161404554114 4    544212 4      C-13-H3C(O)CH3
  552743.9752  0.0036 -3.7909 3  502.0192404 -59516140450 942 4    49 841 4      C-13-H3C(O)CH3
  552743.9752  0.0036 -5.0596 3  502.0192404 -59516140450 942 4    49 941 4      C-13-H3C(O)CH3
  552743.9752  0.0036 -3.7693 3  502.0192404 -59516140450 942 3    49 841 3      C-13-H3C(O)CH3
  552743.9752  0.0036 -6.3276 3  502.0192404 -59516140450 942 3    49 941 3      C-13-H3C(O)CH3
  552743.9752  0.0036 -6.3276 3  502.0192404 -59516140450 842 3    49 841 3      C-13-H3C(O)CH3
  552743.9752  0.0036 -3.7693 3  502.0192404 -59516140450 842 3    49 941 3      C-13-H3C(O)CH3
  552743.9752  0.0036 -5.0596 3  502.0192404 -59516140450 842 4    49 841 4      C-13-H3C(O)CH3
  552743.9752  0.0036 -3.7909 3  502.0192404 -59516140450 842 4    49 941 4      C-13-H3C(O)CH3
  552761.9491  0.0050 -3.4929 3  502.0463808 -59516140450 942 2    49 841 2      C-13-H3C(O)CH3
  552761.9491  0.0051 -3.5922 3  502.0467808 -59516140450 942 1    49 841 1      C-13-H3C(O)CH3
  552761.9491  0.0051 -4.0689 3  502.0467808 -59516140450 942 1    49 941 1      C-13-H3C(O)CH3
  552761.9491  0.0050 -4.7077 3  502.0463808 -59516140450 942 2    49 941 2      C-13-H3C(O)CH3
  552761.9491  0.0050 -4.7077 3  502.0463808 -59516140450 842 2    49 841 2      C-13-H3C(O)CH3
  552761.9491  0.0051 -3.5922 3  502.0467808 -59516140450 842 1    49 941 1      C-13-H3C(O)CH3
  552761.9491  0.0051 -4.0689 3  502.0467808 -59516140450 842 1    49 841 1      C-13-H3C(O)CH3
  552761.9491  0.0050 -3.4929 3  502.0463808 -59516140450 842 2    49 941 2      C-13-H3C(O)CH3
  552779.6987  0.0033 -3.8765 3  502.0737808 -59516140450 942 0    49 941 0      C-13-H3C(O)CH3
  552779.6987  0.0033 -3.6816 3  502.0737808 -59516140450 842 0    49 941 0      C-13-H3C(O)CH3
  552779.6987  0.0033 -3.6816 3  502.0737808 -59516140450 942 0    49 841 0      C-13-H3C(O)CH3
  552779.6987  0.0033 -3.8765 3  502.0737808 -59516140450 842 0    49 841 0      C-13-H3C(O)CH3
  552817.8634  0.0653 -6.2597 3 1103.7351604  595161404751165 3    751066 3      C-13-H3C(O)CH3
  552817.8634  0.0653 -5.6449 3 1103.7351604  595161404751165 3    75 966 3      C-13-H3C(O)CH3
  552817.8634  0.0653 -6.2597 3 1103.7351604  595161404751065 3    75 966 3      C-13-H3C(O)CH3
  552817.8634  0.0653 -5.6449 3 1103.7351604  595161404751065 3    751066 3      C-13-H3C(O)CH3
  552817.9751  0.0653 -5.5561 3 1103.7350604  595161404751165 4    75 966 4      C-13-H3C(O)CH3
  552817.9751  0.0653 -5.5561 3 1103.7350604  595161404751065 4    751066 4      C-13-H3C(O)CH3
  552853.4889  0.0603 -5.9447 3  876.0446444  595161404554115 4    544213 4      C-13-H3C(O)CH3
  552864.9716  0.0540 -5.9447 3  876.0419444  595161404554115 3    544213 3      C-13-H3C(O)CH3
  552877.6935  0.0111 -5.4861 3  109.5590328  5951614042017 4 0    1914 5 0      C-13-H3C(O)CH3
  552899.1427  0.2000 -6.4064 3 1831.4752E48  595161404902566 0    902467 0      C-13-H3C(O)CH3
  552899.1427  0.2000 -6.4064 3 1831.4752E48  595161404902466 0    902367 0      C-13-H3C(O)CH3
  552966.6967  0.0395 -6.3578 3  585.4979744  595161404463016 1    462521 1      C-13-H3C(O)CH3
  553035.1907  0.0426 -5.4657 3 1058.6564B92  59516140474 965 0    74 866 0      C-13-H3C(O)CH3
  553035.1907  0.0426 -5.5376 3 1058.6564B92  59516140474 965 0    74 966 0      C-13-H3C(O)CH3
  553035.1907  0.0426 -5.5376 3 1058.6564B92  595161404741065 0    74 866 0      C-13-H3C(O)CH3
  553035.1907  0.0426 -5.4657 3 1058.6564B92  595161404741065 0    74 966 0      C-13-H3C(O)CH3
  553039.5899  0.1249 -6.1560 3  665.9878396  595161404493218 4    483315 4      C-13-H3C(O)CH3
  553070.0105  0.0561 -5.3533 3  637.0976388  595161404483117 4    473215 4      C-13-H3C(O)CH3
  553113.9468  0.0330 -4.8419 3  608.8215760  595161404473017 0    463116 0      C-13-H3C(O)CH3
  553136.1177  0.0472 -6.0475 3  670.8729808  595161404502723 2    502426 2      C-13-H3C(O)CH3
  553147.0895  0.0605 -5.0989 3  581.2937372  595161404462917 3    453016 3      C-13-H3C(O)CH3
  553151.9682  0.0489 -6.3477 3  670.8632404  595161404502723 3    502426 3      C-13-H3C(O)CH3
  553152.1532  0.0594 -5.2675 3 1058.6279B92  59516140474 965 2    74 866 2      C-13-H3C(O)CH3
  553152.1532  0.0594 -6.0335 3 1058.6279B92  59516140474 965 2    74 966 2      C-13-H3C(O)CH3
  553152.1532  0.0594 -6.0335 3 1058.6279B92  595161404741065 2    74 866 2      C-13-H3C(O)CH3
  553152.1532  0.0594 -5.2675 3 1058.6279B92  595161404741065 2    74 966 2      C-13-H3C(O)CH3
  553152.7631  0.0609 -5.3028 3 1058.6280B92  59516140474 965 1    74 966 1      C-13-H3C(O)CH3
  553152.7631  0.0609 -5.8707 3 1058.6280B92  595161404741065 1    74 966 1      C-13-H3C(O)CH3
  553152.7631  0.0609 -5.3028 3 1058.6280B92  595161404741065 1    74 866 1      C-13-H3C(O)CH3
  553152.7631  0.0609 -5.8707 3 1058.6280B92  59516140474 965 1    74 866 1      C-13-H3C(O)CH3
  553152.9368  0.0494 -6.3477 3  670.8632404  595161404502723 4    502426 4      C-13-H3C(O)CH3
  553159.0672  0.0289 -6.0477 3  670.8837808  595161404502723 0    502426 0      C-13-H3C(O)CH3
  553175.8285  0.0304 -6.0469 3  670.8741808  595161404502723 1    502426 1      C-13-H3C(O)CH3
  553202.7080  0.0458 -5.0885 3  608.8163760  595161404473017 2    463116 2      C-13-H3C(O)CH3
  553255.5911  0.0362 -5.0289 3  608.8134760  595161404473017 1    463116 1      C-13-H3C(O)CH3
  553269.8155  0.0588 -5.5074 3 1058.5995596  59516140474 965 3    74 966 3      C-13-H3C(O)CH3
  553269.8155  0.0588 -5.5074 3 1058.5995596  595161404741065 3    74 866 3      C-13-H3C(O)CH3
  553269.8193  0.0588 -5.8051 3 1058.5995596  59516140474 965 4    74 866 4      C-13-H3C(O)CH3
  553269.8193  0.0588 -5.7961 3 1058.5995596  59516140474 965 4    74 966 4      C-13-H3C(O)CH3
  553269.8193  0.0588 -5.8051 3 1058.5995596  595161404741065 4    74 966 4      C-13-H3C(O)CH3
  553269.8193  0.0588 -5.7961 3 1058.5995596  595161404741065 4    74 866 4      C-13-H3C(O)CH3
  553325.4470  0.0558 -6.3717 3  585.4933744  595161404463016 2    462521 2      C-13-H3C(O)CH3
  553368.0029  0.0110 -5.4857 3  109.5427328  5951614042017 3 0    1914 6 0      C-13-H3C(O)CH3
  553372.1223  0.0336 -6.4623 3  522.7442680  5951614044234 8 2    423111 2      C-13-H3C(O)CH3
  553412.5230  0.0033 -3.6383 3  425.2982664  595161404411823 0    401922 0      C-13-H3C(O)CH3
  553413.1218  0.0033 -3.6383 3  425.2982664  595161404411923 0    401822 0      C-13-H3C(O)CH3
  553415.4489  0.0041 -3.6382 3  425.2726664  595161404411823 1    401922 1      C-13-H3C(O)CH3
  553416.0709  0.0041 -3.6382 3  425.2726664  595161404411923 1    401822 1      C-13-H3C(O)CH3
  553424.7647  0.0042 -3.6383 3  425.2699664  595161404411823 2    401922 2      C-13-H3C(O)CH3
  553425.4127  0.0042 -3.6383 3  425.2699664  595161404411923 2    401822 2      C-13-H3C(O)CH3
  553427.6229  0.0043 -3.9392 3  425.2443332  595161404411823 4    401922 4      C-13-H3C(O)CH3
  553427.6862  0.0043 -3.9392 3  425.2443332  595161404411823 3    401922 3      C-13-H3C(O)CH3
  553428.2930  0.0043 -3.9392 3  425.2443332  595161404411923 4    401822 4      C-13-H3C(O)CH3
  553428.3596  0.0043 -3.9392 3  425.2443332  595161404411923 3    401822 3      C-13-H3C(O)CH3
  553445.9381  0.0162 -4.7991 3  164.7713204  5951614042517 9 4    241410 4      C-13-H3C(O)CH3
  553471.6473  0.0039 -3.6750 3  412.4861648  595161404401921 1    392020 1      C-13-H3C(O)CH3
  553473.4075  0.0032 -3.6751 3  412.5107648  595161404401921 0    392020 0      C-13-H3C(O)CH3
  553483.6610  0.0041 -3.9761 3  412.4577324  595161404401921 4    392020 4      C-13-H3C(O)CH3
  553483.7306  0.0041 -3.9761 3  412.4577324  595161404401921 3    392020 3      C-13-H3C(O)CH3
  553485.5404  0.0041 -3.6751 3  412.4824648  595161404401921 2    392020 2      C-13-H3C(O)CH3
  553490.1917  0.0575 -5.1375 3  637.0737776  595161404483117 2    473215 2      C-13-H3C(O)CH3
  553502.2906  0.0039 -3.6750 3  412.4852648  595161404402021 1    391920 1      C-13-H3C(O)CH3
  553503.5009  0.0032 -3.6750 3  412.5099648  595161404402021 0    391920 0      C-13-H3C(O)CH3
  553515.8581  0.0041 -3.9760 3  412.4568324  595161404402021 4    391920 4      C-13-H3C(O)CH3
  553516.0206  0.0041 -3.9760 3  412.4569324  595161404402021 3    391920 3      C-13-H3C(O)CH3
  553516.4342  0.0315 -6.4634 3  522.7009680  5951614044234 9 1    423112 1      C-13-H3C(O)CH3
  553517.2397  0.0040 -3.6751 3  412.4816648  595161404402021 2    391920 2      C-13-H3C(O)CH3
  553535.3193  0.0068 -4.3577 3  171.6728212  595161404261412 3    251313 3      C-13-H3C(O)CH3
  553543.7902  0.0394 -5.5209 3 1014.1095B76  59516140473 865 0    73 866 0      C-13-H3C(O)CH3
  553543.7902  0.0394 -5.5209 3 1014.1095B76  59516140473 965 0    73 766 0      C-13-H3C(O)CH3
  553543.7902  0.0394 -5.3990 3 1014.1095B76  59516140473 865 0    73 766 0      C-13-H3C(O)CH3
  553543.7902  0.0394 -5.3990 3 1014.1095B76  59516140473 965 0    73 866 0      C-13-H3C(O)CH3
  553544.2773  0.0079 -4.3577 3  171.6728212  595161404261412 4    251313 4      C-13-H3C(O)CH3
  553548.8808  0.0056 -4.0566 3  171.6738424  595161404261412 2    251313 2      C-13-H3C(O)CH3
  553554.5309  0.1798 -6.3194 3 1777.7210E32  595161404892366 2    892367 2      C-13-H3C(O)CH3
  553554.5309  0.1798 -6.3194 3 1777.7210E32  595161404892466 2    892267 2      C-13-H3C(O)CH3
  553564.7524  0.0637 -5.1925 3  603.9582380  595161404472919 4    463016 4      C-13-H3C(O)CH3
  553619.4345  0.0516 -5.4963 3  608.8024380  595161404473017 4    463116 4      C-13-H3C(O)CH3
  553620.2970  0.0678 -6.1998 3 1014.0780B76  59516140473 965 2    73 866 2      C-13-H3C(O)CH3
  553620.2970  0.0678 -5.1954 3 1014.0780B76  59516140473 965 2    73 766 2      C-13-H3C(O)CH3
  553620.2970  0.0678 -6.1998 3 1014.0780B76  59516140473 865 2    73 766 2      C-13-H3C(O)CH3
  553620.2970  0.0678 -5.1954 3 1014.0780B76  59516140473 865 2    73 866 2      C-13-H3C(O)CH3
  553620.4499  0.0690 -5.1544 3 1014.0781B76  59516140473 965 1    73 866 1      C-13-H3C(O)CH3
  553620.4499  0.0690 -5.1544 3 1014.0781B76  59516140473 865 1    73 766 1      C-13-H3C(O)CH3
  553623.4389  0.0101 -3.8479 3  261.1294252  595161404312111 4    302010 4      C-13-H3C(O)CH3
  553627.2115  0.0607 -6.0624 3  998.4749936  595161404584613 1    574711 1      C-13-H3C(O)CH3
  553636.7183  0.0310 -6.4661 3  522.7150680  5951614044234 9 2    423112 2      C-13-H3C(O)CH3
  553653.1115  0.0474 -6.0621 3  998.4577936  595161404584613 0    574711 0      C-13-H3C(O)CH3
  553653.1115  0.0474 -6.0621 3  998.4577936  595161404584612 0    574710 0      C-13-H3C(O)CH3
  553658.5693  0.0078 -3.8352 3  261.1287252  595161404312111 3    302010 3      C-13-H3C(O)CH3
  553667.0674  0.0062 -3.5396 3  261.1482504  595161404312111 1    302010 1      C-13-H3C(O)CH3
  553682.4143  0.0666 -5.7455 3  637.0645388  595161404483117 3    473215 3      C-13-H3C(O)CH3
  553682.7486  0.0057 -4.0565 3  171.6777424  595161404261412 1    251313 1      C-13-H3C(O)CH3
  553683.9789  0.0313 -6.4651 3  522.7238680  5951614044234 8 0    423111 0      C-13-H3C(O)CH3
  553685.4282  0.0313 -6.4651 3  522.7237680  5951614044234 9 0    423112 0      C-13-H3C(O)CH3
  553693.3117  0.0052 -4.0564 3  171.6787424  595161404261412 0    251313 0      C-13-H3C(O)CH3
  553696.8648  0.0529 -5.4873 3 1014.0466588  59516140473 965 4    73 766 4      C-13-H3C(O)CH3
  553696.8648  0.0529 -5.4573 3 1014.0466588  59516140473 865 4    73 866 4      C-13-H3C(O)CH3
  553697.0062  0.0529 -5.4552 3 1014.0466588  59516140473 965 3    73 866 3      C-13-H3C(O)CH3
  553697.0062  0.0529 -5.4552 3 1014.0466588  59516140473 865 3    73 766 3      C-13-H3C(O)CH3
  553726.9459  0.0344 -6.4623 3  522.7269680  5951614044234 8 1    423111 1      C-13-H3C(O)CH3
  553780.9069  0.0492 -4.9040 3  581.2842744  595161404462917 2    453016 2      C-13-H3C(O)CH3
  553799.8664  0.0792 -6.3640 3  998.4834468  595161404584613 4    574711 4      C-13-H3C(O)CH3
  553801.5791  0.0034 -3.6105 3  437.4275680  595161404421725 0    411824 0      C-13-H3C(O)CH3
  553801.5876  0.0034 -3.6105 3  437.4275680  595161404421825 0    411724 0      C-13-H3C(O)CH3
  553802.1272  0.0267 -6.4178 3  531.8324712  595161404442816 0    442321 0      C-13-H3C(O)CH3
  553806.5252  0.0043 -3.6104 3  437.4011680  595161404421725 1    411824 1      C-13-H3C(O)CH3
  553806.5342  0.0043 -3.6104 3  437.4011680  595161404421825 1    411724 1      C-13-H3C(O)CH3
  553809.9171  0.0612 -6.0625 3  998.4845936  595161404584612 1    574710 1      C-13-H3C(O)CH3
  553813.0239  0.0044 -3.6105 3  437.3991680  595161404421725 2    411824 2      C-13-H3C(O)CH3
  553813.0334  0.0044 -3.6105 3  437.3991680  595161404421825 2    411724 2      C-13-H3C(O)CH3
  553817.9320  0.0044 -3.9114 3  437.3726340  595161404421725 4    411824 4      C-13-H3C(O)CH3
  553817.9421  0.0044 -3.9114 3  437.3726340  595161404421825 4    411724 4      C-13-H3C(O)CH3
  553817.9795  0.0045 -3.9115 3  437.3727340  595161404421725 3    411824 3      C-13-H3C(O)CH3
  553817.9897  0.0045 -3.9115 3  437.3727340  595161404421825 3    411724 3      C-13-H3C(O)CH3
  553824.1526  0.0605 -6.0627 3  998.4662936  595161404584613 2    574711 2      C-13-H3C(O)CH3
  553828.6421  0.0117 -4.7553 3  164.7707204  5951614042517 9 3    241410 3      C-13-H3C(O)CH3
  553828.6470  0.0442 -5.1938 3  637.0573776  595161404483117 1    473215 1      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.1984 3  508.4545412 -59516140451 844 4    50 843 4      C-13-H3C(O)CH3
  553836.3427  0.0034 -3.9514 3  508.4545412 -59516140451 844 4    50 743 4      C-13-H3C(O)CH3
  553836.3427  0.0034 -3.9514 3  508.4545412 -59516140451 744 4    50 843 4      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.0363 3  508.4545412 -59516140451 844 3    50 843 3      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.0800 3  508.4545412 -59516140451 744 3    50 843 3      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.0363 3  508.4545412 -59516140451 744 3    50 743 3      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.1984 3  508.4545412 -59516140451 744 4    50 743 4      C-13-H3C(O)CH3
  553836.3427  0.0034 -4.0800 3  508.4545412 -59516140451 844 3    50 743 3      C-13-H3C(O)CH3
  553858.4092  0.0048 -3.5272 3  508.4793824 -59516140451 744 2    50 843 2      C-13-H3C(O)CH3
  553858.4092  0.0049 -4.4065 3  508.4797824 -59516140451 744 1    50 843 1      C-13-H3C(O)CH3
  553858.4092  0.0049 -3.5072 3  508.4797824 -59516140451 844 1    50 843 1      C-13-H3C(O)CH3
  553858.4092  0.0049 -4.4065 3  508.4797824 -59516140451 844 1    50 743 1      C-13-H3C(O)CH3
  553858.4092  0.0048 -3.5272 3  508.4793824 -59516140451 844 2    50 743 2      C-13-H3C(O)CH3
  553858.4092  0.0049 -3.5072 3  508.4797824 -59516140451 744 1    50 743 1      C-13-H3C(O)CH3
  553858.4092  0.0048 -4.2736 3  508.4793824 -59516140451 744 2    50 743 2      C-13-H3C(O)CH3
  553858.4092  0.0048 -4.2736 3  508.4793824 -59516140451 844 2    50 843 2      C-13-H3C(O)CH3
  553862.2977  0.0037 -3.5128 3  261.1476504  595161404312111 2    302010 2      C-13-H3C(O)CH3
  553863.7947  0.0800 -5.6739 3  554.5180364  595161404452817 4    442915 4      C-13-H3C(O)CH3
  553880.2374  0.0032 -3.7292 3  508.5045824 -59516140451 844 0    50 843 0      C-13-H3C(O)CH3
  553880.2374  0.0032 -3.7860 3  508.5045824 -59516140451 744 0    50 843 0      C-13-H3C(O)CH3
  553880.2374  0.0032 -3.7860 3  508.5045824 -59516140451 844 0    50 743 0      C-13-H3C(O)CH3
  553880.2374  0.0032 -3.7292 3  508.5045824 -59516140451 744 0    50 743 0      C-13-H3C(O)CH3
  553884.8937  0.0034 -3.5125 3  261.1666504  595161404312111 0    302010 0      C-13-H3C(O)CH3
  553921.6230  0.0790 -6.3636 3  998.5068468  595161404584612 3    574710 3      C-13-H3C(O)CH3
  553931.4286  0.0320 -4.8532 3  581.2823744  595161404462917 1    453016 1      C-13-H3C(O)CH3
  553946.5569  0.0643 -6.0623 3  998.4895936  595161404584612 2    574710 2      C-13-H3C(O)CH3
  553968.4694  0.0118 -4.4729 3  164.7722408  5951614042517 9 1    241410 1      C-13-H3C(O)CH3
  553976.2614  0.0322 -4.7725 3  581.2909744  595161404462917 0    453016 0      C-13-H3C(O)CH3
  553982.5244  0.0785 -6.3640 3  998.4930468  595161404584613 3    574711 3      C-13-H3C(O)CH3
  553985.0327  0.0275 -6.0467 3  670.8837808  595161404502823 0    502526 0      C-13-H3C(O)CH3
  554003.1459  0.0415 -6.0464 3  670.8729808  595161404502823 2    502526 2      C-13-H3C(O)CH3
  554014.3726  0.0071 -4.7962 3  112.0073188  59516140423 716 4    22 617 4      C-13-H3C(O)CH3
  554014.3728  0.0054 -4.7962 3  112.0072188  59516140423 716 3    22 617 3      C-13-H3C(O)CH3
  554014.3759  0.0071 -4.7962 3  112.0073188  59516140423 816 4    22 517 4      C-13-H3C(O)CH3
  554014.3761  0.0054 -4.7962 3  112.0072188  59516140423 816 3    22 517 3      C-13-H3C(O)CH3
  554027.2306  0.0917 -5.5734 3  665.9597792  595161404493218 2    483315 2      C-13-H3C(O)CH3
  554032.3376  0.0511 -5.2890 3  581.2676372  595161404462917 4    453016 4      C-13-H3C(O)CH3
  554033.2843  0.0302 -6.0459 3  670.8741808  595161404502823 1    502526 1      C-13-H3C(O)CH3
  554035.6035  0.0279 -6.4176 3  531.8134712  595161404442816 1    442321 1      C-13-H3C(O)CH3
  554045.4223  0.0470 -4.8519 3  603.9503760  595161404472919 2    463016 2      C-13-H3C(O)CH3
  554051.6448  0.0439 -6.3466 3  670.8632404  595161404502823 4    502526 4      C-13-H3C(O)CH3
  554052.2652  0.0435 -6.3466 3  670.8632404  595161404502823 3    502526 3      C-13-H3C(O)CH3
  554054.2028  0.0042 -4.0312 3  398.9451316  595161404392019 3    382118 3      C-13-H3C(O)CH3
  554054.7321  0.0042 -4.0312 3  398.9450316  595161404392019 4    382118 4      C-13-H3C(O)CH3
  554055.4433  0.0037 -3.7300 3  398.9735632  595161404392019 1    382118 1      C-13-H3C(O)CH3
  554065.0073  0.0406 -5.1181 3  970.1419B60  59516140472 765 0    72 766 0      C-13-H3C(O)CH3
  554065.0073  0.0406 -5.1181 3  970.1419B60  59516140472 865 0    72 666 0      C-13-H3C(O)CH3
  554068.0193  0.0043 -3.7302 3  398.9684632  595161404392019 2    382118 2      C-13-H3C(O)CH3
  554068.9701  0.0032 -3.7301 3  398.9968632  595161404392019 0    382118 0      C-13-H3C(O)CH3
  554077.7618  0.0383 -5.1272 3  603.9427380  595161404472919 3    463016 3      C-13-H3C(O)CH3
  554080.9954  0.0783 -5.1206 3  970.1099B60  59516140472 765 1    72 766 1      C-13-H3C(O)CH3
  554080.9954  0.0783 -5.1206 3  970.1099B60  59516140472 865 1    72 666 1      C-13-H3C(O)CH3
  554081.5542  0.0776 -5.1181 3  970.1097B60  59516140472 865 2    72 666 2      C-13-H3C(O)CH3
  554081.5542  0.0776 -5.1181 3  970.1097B60  59516140472 765 2    72 766 2      C-13-H3C(O)CH3
  554093.3664  0.0569 -5.3572 3  637.0508388  595161404483117 3    473216 3      C-13-H3C(O)CH3
  554097.2224  0.0477 -5.4342 3  970.0777580  59516140472 865 4    72 766 4      C-13-H3C(O)CH3
  554097.2224  0.0477 -5.4342 3  970.0777580  59516140472 765 4    72 666 4      C-13-H3C(O)CH3
  554097.5390  0.0476 -5.5669 3  970.0777580  59516140472 865 3    72 666 3      C-13-H3C(O)CH3
  554097.5390  0.0476 -5.9584 3  970.0777580  59516140472 865 3    72 766 3      C-13-H3C(O)CH3
  554097.5390  0.0476 -5.9584 3  970.0777580  59516140472 765 3    72 666 3      C-13-H3C(O)CH3
  554097.5390  0.0476 -5.5669 3  970.0777580  59516140472 765 3    72 766 3      C-13-H3C(O)CH3
  554104.4328  0.0862 -6.3637 3  998.5164468  595161404584612 4    574710 4      C-13-H3C(O)CH3
  554109.5244  0.0260 -6.4193 3  531.8095712  595161404442816 2    442321 2      C-13-H3C(O)CH3
  554235.2031  0.1888 -6.3919 3 1724.5147E16  595161404882366 2    882167 2      C-13-H3C(O)CH3
  554235.2031  0.1888 -6.3919 3 1724.5147E16  595161404882266 2    882267 2      C-13-H3C(O)CH3
  554248.3869  0.0060 -3.4261 3  245.8610228  5951614042827 1 4    2726 1 4      C-13-H3C(O)CH3
  554256.6179  0.1903 -6.3249 3 1724.4911E16  595161404882266 0    882267 0      C-13-H3C(O)CH3
  554256.6179  0.1903 -6.3249 3 1724.4911E16  595161404882366 0    882167 0      C-13-H3C(O)CH3
  554314.3276  0.0242 -4.8380 3  603.9429760  595161404472919 1    463016 1      C-13-H3C(O)CH3
  554367.5219  0.0049 -3.1250 3  245.9284456 -5951614042827 1 2    2726 1 2      C-13-H3C(O)CH3
  554376.6510  0.0055 -4.4943 3  111.9790376  59516140423 716 2    22 617 2      C-13-H3C(O)CH3
  554376.6544  0.0055 -4.4943 3  111.9790376  59516140423 816 2    22 517 2      C-13-H3C(O)CH3
  554389.7880  0.0055 -4.4945 3  111.9799376  59516140423 716 1    22 617 1      C-13-H3C(O)CH3
  554389.7913  0.0055 -4.4945 3  111.9799376  59516140423 816 1    22 517 1      C-13-H3C(O)CH3
  554400.2358  0.0051 -3.1249 3  245.9108456 -5951614042827 2 1    2726 1 1      C-13-H3C(O)CH3
  554436.4693  0.0708 -5.6601 3  554.5136728  595161404452817 2    442915 2      C-13-H3C(O)CH3
  554443.9450  0.0035 -3.5883 3  448.9390696  595161404431627 0    421726 0      C-13-H3C(O)CH3
  554443.9451  0.0035 -3.5883 3  448.9390696  595161404431727 0    421626 0      C-13-H3C(O)CH3
  554449.3611  0.0045 -3.5882 3  448.9120696  595161404431627 1    421726 1      C-13-H3C(O)CH3
  554449.3612  0.0045 -3.5882 3  448.9120696  595161404431727 1    421626 1      C-13-H3C(O)CH3
  554451.8732  0.0630 -5.4660 3  665.9434792  595161404493218 1    483315 1      C-13-H3C(O)CH3
  554454.0964  0.0046 -3.5882 3  448.9104696  595161404431627 2    421726 2      C-13-H3C(O)CH3
  554454.0965  0.0046 -3.5882 3  448.9104696  595161404431727 2    421626 2      C-13-H3C(O)CH3
  554459.4865  0.0046 -3.8892 3  448.8833348  595161404431627 4    421726 4      C-13-H3C(O)CH3
  554459.4866  0.0046 -3.8892 3  448.8833348  595161404431727 4    421626 4      C-13-H3C(O)CH3
  554459.5279  0.0046 -3.8892 3  448.8833348  595161404431627 3    421726 3      C-13-H3C(O)CH3
  554459.5280  0.0046 -3.8892 3  448.8833348  595161404431727 3    421626 3      C-13-H3C(O)CH3
  554468.8016  0.0429 -6.0201 3  926.6940572  59516140471 765 4    71 566 4      C-13-H3C(O)CH3
  554468.8016  0.0429 -6.0201 3  926.6940572  59516140471 665 4    71 666 4      C-13-H3C(O)CH3
  554468.8016  0.0429 -5.5096 3  926.6940572  59516140471 665 4    71 566 4      C-13-H3C(O)CH3
  554468.8016  0.0429 -5.5096 3  926.6940572  59516140471 765 4    71 666 4      C-13-H3C(O)CH3
  554469.3019  0.0429 -5.6137 3  926.6940572  59516140471 665 3    71 566 3      C-13-H3C(O)CH3
  554469.3019  0.0429 -5.7922 3  926.6940572  59516140471 665 3    71 666 3      C-13-H3C(O)CH3
  554469.3019  0.0429 -5.7922 3  926.6940572  59516140471 765 3    71 566 3      C-13-H3C(O)CH3
  554469.3019  0.0429 -5.6137 3  926.6940572  59516140471 765 3    71 666 3      C-13-H3C(O)CH3
  554485.4441  0.0059 -3.4257 3  245.8397228  5951614042827 2 3    2726 2 3      C-13-H3C(O)CH3
  554503.1786  0.0108 -4.4658 3  164.7592408  5951614042517 9 2    241410 2      C-13-H3C(O)CH3
  554520.0269  0.0047 -3.1248 3  245.9782456 -5951614042827 2 0    2726 1 0      C-13-H3C(O)CH3
  554520.0269  0.0047 -3.1248 3  245.9782456 -5951614042827 1 0    2726 2 0      C-13-H3C(O)CH3
  554531.3890  0.0058 -3.4257 3  245.8595228  5951614042827 1 3    2726 1 3      C-13-H3C(O)CH3
  554536.0485  0.0827 -5.5036 3  926.7238B44  59516140471 665 1    71 566 1      C-13-H3C(O)CH3
  554536.0485  0.0827 -5.5036 3  926.7238B44  59516140471 765 1    71 666 1      C-13-H3C(O)CH3
  554536.0485  0.0827 -5.3045 3  926.7238B44  59516140471 765 1    71 566 1      C-13-H3C(O)CH3
  554536.0485  0.0827 -5.3045 3  926.7238B44  59516140471 665 1    71 666 1      C-13-H3C(O)CH3
  554537.4115  0.0824 -5.1031 3  926.7236B44  59516140471 665 2    71 566 2      C-13-H3C(O)CH3
  554537.4115  0.0824 -5.1031 3  926.7236B44  59516140471 765 2    71 666 2      C-13-H3C(O)CH3
  554554.5979  0.0360 -4.9070 3  637.0293776  595161404483117 0    473216 0      C-13-H3C(O)CH3
  554561.6881  0.0189 -4.8242 3  603.9420760  595161404472919 0    463016 0      C-13-H3C(O)CH3
  554604.0804  0.0423 -5.6963 3  926.7534B44  59516140471 665 0    71 666 0      C-13-H3C(O)CH3
  554604.0804  0.0423 -5.2157 3  926.7534B44  59516140471 665 0    71 566 0      C-13-H3C(O)CH3
  554604.0804  0.0423 -5.2157 3  926.7534B44  59516140471 765 0    71 666 0      C-13-H3C(O)CH3
  554604.0804  0.0423 -5.6963 3  926.7534B44  59516140471 765 0    71 566 0      C-13-H3C(O)CH3
  554604.8851  0.0047 -3.1246 3  245.9069456 -5951614042827 2 2    2726 2 2      C-13-H3C(O)CH3
  554641.5098  0.0770 -5.5259 3  665.9551396  595161404493218 3    483315 3      C-13-H3C(O)CH3
  554683.4835  0.0049 -3.1244 3  245.9093456 -5951614042827 1 1    2726 2 1      C-13-H3C(O)CH3
  554751.2821  0.0054 -4.4934 3  111.9517376  59516140423 716 0    22 617 0      C-13-H3C(O)CH3
  554751.2855  0.0054 -4.4934 3  111.9517376  59516140423 816 0    22 517 0      C-13-H3C(O)CH3
  554767.9258  0.0063 -3.4252 3  245.8382228  5951614042827 2 4    2726 2 4      C-13-H3C(O)CH3
  554809.3287  0.0396 -6.0931 3  883.8971564  59516140470 665 4    70 466 4      C-13-H3C(O)CH3
  554809.3287  0.0396 -5.4736 3  883.8971564  59516140470 665 4    70 566 4      C-13-H3C(O)CH3
  554809.3287  0.0396 -5.4736 3  883.8971564  59516140470 565 4    70 466 4      C-13-H3C(O)CH3
  554809.3287  0.0396 -6.0931 3  883.8971564  59516140470 565 4    70 566 4      C-13-H3C(O)CH3
  554809.9770  0.0394 -5.3801 3  883.8971564  59516140470 665 3    70 466 3      C-13-H3C(O)CH3
  554809.9770  0.0394 -5.3801 3  883.8971564  59516140470 565 3    70 566 3      C-13-H3C(O)CH3
  554841.2896  0.0108 -4.4571 3  164.7606408  5951614042517 9 0    241410 0      C-13-H3C(O)CH3
  554865.5057  0.0428 -5.2233 3  637.0227776  595161404483117 1    473216 1      C-13-H3C(O)CH3
  554876.4465  0.0478 -5.2931 3  637.0274776  595161404483117 2    473216 2      C-13-H3C(O)CH3
  554879.1180  0.1444 -6.4339 3 1671.8998700  595161404872166 3    872167 3      C-13-H3C(O)CH3
  554884.8257  0.2062 -6.1294 3 1671.8760E00  595161404872166 1    872167 1      C-13-H3C(O)CH3
  554884.8257  0.2062 -6.1294 3 1671.8760E00  595161404872266 1    872067 1      C-13-H3C(O)CH3
  554895.7760  0.2012 -6.1631 3 1671.8781E00  595161404872166 2    872067 2      C-13-H3C(O)CH3
  554895.7760  0.2012 -6.1631 3 1671.8781E00  595161404872266 2    872167 2      C-13-H3C(O)CH3
  554901.5286  0.1915 -6.1396 3 1671.8543E00  595161404872166 0    872067 0      C-13-H3C(O)CH3
  554901.5286  0.1915 -6.1396 3 1671.8543E00  595161404872266 0    872167 0      C-13-H3C(O)CH3
  554937.3955  0.0044 -4.4275 3  153.1542204  595161404251213 3    241114 3      C-13-H3C(O)CH3
  554938.3382  0.0059 -4.4275 3  153.1543204  595161404251213 4    241114 4      C-13-H3C(O)CH3
  554939.4111  0.0033 -3.7694 3  514.3489420  59516140452 646 4    51 645 4      C-13-H3C(O)CH3
  554939.4111  0.0033 -3.7694 3  514.3489420  59516140452 746 4    51 745 4      C-13-H3C(O)CH3
  554939.4414  0.0033 -3.7945 3  514.3489420 -59516140452 646 3    51 745 3      C-13-H3C(O)CH3
  554939.4414  0.0033 -3.7945 3  514.3489420 -59516140452 746 3    51 645 3      C-13-H3C(O)CH3
  554939.4414  0.0033 -5.0073 3  514.3489420 -59516140452 646 4    51 745 4      C-13-H3C(O)CH3
  554939.4414  0.0033 -5.0073 3  514.3489420 -59516140452 746 4    51 645 4      C-13-H3C(O)CH3
  554939.4679  0.0033 -4.7130 3  514.3489420  59516140452 646 3    51 645 3      C-13-H3C(O)CH3
  554939.4679  0.0033 -4.7130 3  514.3489420  59516140452 746 3    51 745 3      C-13-H3C(O)CH3
  554951.3708  0.0510 -5.6361 3  665.9448396  595161404493218 3    483316 3      C-13-H3C(O)CH3
  554963.3057  0.0348 -5.9758 3  554.5037728  595161404452817 1    442915 1      C-13-H3C(O)CH3
  554965.2234  0.0044 -5.0847 3  514.3701840 -59516140452 746 2    51 645 2      C-13-H3C(O)CH3
  554965.2234  0.0044 -3.4541 3  514.3701840 -59516140452 746 2    51 745 2      C-13-H3C(O)CH3
  554965.2234  0.0044 -5.0847 3  514.3701840 -59516140452 646 2    51 745 2      C-13-H3C(O)CH3
  554965.2234  0.0044 -3.4541 3  514.3701840 -59516140452 646 2    51 645 2      C-13-H3C(O)CH3
  554965.2234  0.0046 -4.3761 3  514.3705840 -59516140452 646 1    51 645 1      C-13-H3C(O)CH3
  554965.2234  0.0046 -3.4980 3  514.3705840 -59516140452 746 1    51 645 1      C-13-H3C(O)CH3
  554965.2234  0.0046 -3.4980 3  514.3705840 -59516140452 646 1    51 745 1      C-13-H3C(O)CH3
  554965.2234  0.0046 -4.3761 3  514.3705840 -59516140452 746 1    51 745 1      C-13-H3C(O)CH3
  554987.3910  0.0790 -5.1035 3  883.9205B28  59516140470 665 1    70 466 1      C-13-H3C(O)CH3
  554987.3910  0.0790 -5.1035 3  883.9205B28  59516140470 565 1    70 566 1      C-13-H3C(O)CH3
  554987.3910  0.0790 -6.3364 3  883.9205B28  59516140470 565 1    70 466 1      C-13-H3C(O)CH3
  554987.3910  0.0790 -6.3364 3  883.9205B28  59516140470 665 1    70 566 1      C-13-H3C(O)CH3
  554989.4144  0.0786 -5.0922 3  883.9202B28  59516140470 665 2    70 466 2      C-13-H3C(O)CH3
  554989.4144  0.0786 -5.0922 3  883.9202B28  59516140470 565 2    70 566 2      C-13-H3C(O)CH3
  554990.7990  0.0032 -5.0285 3  514.3918840 -59516140452 646 0    51 745 0      C-13-H3C(O)CH3
  554990.7990  0.0032 -3.4555 3  514.3918840 -59516140452 646 0    51 645 0      C-13-H3C(O)CH3
  554990.7990  0.0032 -3.4555 3  514.3918840 -59516140452 746 0    51 745 0      C-13-H3C(O)CH3
  554990.7990  0.0032 -5.0285 3  514.3918840 -59516140452 746 0    51 645 0      C-13-H3C(O)CH3
  555058.2630  0.0040 -3.7281 3  398.9478632  595161404392119 1    382018 1      C-13-H3C(O)CH3
  555065.6993  0.0033 -3.7282 3  398.9712632  595161404392119 0    382018 0      C-13-H3C(O)CH3
  555089.0171  0.0038 -4.0292 3  398.9185316  595161404392119 4    382018 4      C-13-H3C(O)CH3
  555090.2101  0.0040 -4.0292 3  398.9185316  595161404392119 3    382018 3      C-13-H3C(O)CH3
  555094.8013  0.0042 -4.1262 3  153.1498408  595161404251213 2    241114 2      C-13-H3C(O)CH3
  555097.4897  0.0039 -3.7283 3  398.9420632  595161404392119 2    382018 2      C-13-H3C(O)CH3
  555116.3749  0.0400 -5.4990 3  841.6882556  59516140469 565 4    69 366 4      C-13-H3C(O)CH3
  555116.3749  0.0400 -5.4990 3  841.6882556  59516140469 465 4    69 466 4      C-13-H3C(O)CH3
  555116.3749  0.0400 -6.0273 3  841.6882556  59516140469 465 4    69 366 4      C-13-H3C(O)CH3
  555116.3749  0.0400 -6.0273 3  841.6882556  59516140469 565 4    69 466 4      C-13-H3C(O)CH3
  555117.0571  0.0397 -5.6791 3  841.6882556  59516140469 465 3    69 366 3      C-13-H3C(O)CH3
  555117.0571  0.0397 -5.6958 3  841.6882556  59516140469 465 3    69 466 3      C-13-H3C(O)CH3
  555117.0571  0.0397 -5.6958 3  841.6882556  59516140469 565 3    69 366 3      C-13-H3C(O)CH3
  555117.0571  0.0397 -5.6791 3  841.6882556  59516140469 565 3    69 466 3      C-13-H3C(O)CH3
  555135.0834  0.0381 -4.9755 3  665.9168792  595161404493218 0    483315 0      C-13-H3C(O)CH3
  555141.2383  0.0042 -4.1262 3  153.1524408  595161404251213 1    241114 1      C-13-H3C(O)CH3
  555166.6340  0.0416 -5.0869 3  883.9436B28  59516140470 565 0    70 466 0      C-13-H3C(O)CH3
  555166.6340  0.0416 -5.0869 3  883.9436B28  59516140470 665 0    70 566 0      C-13-H3C(O)CH3
  555177.4586  0.0057 -4.4273 3  153.1541204  595161404251313 4    241014 4      C-13-H3C(O)CH3
  555177.5460  0.0043 -4.4273 3  153.1540204  595161404251313 3    241014 3      C-13-H3C(O)CH3
  555189.9568  0.0108 -3.7812 3  309.6780552  595161404342114 1    332013 1      C-13-H3C(O)CH3
  555238.1810  0.0035 -3.5696 3  459.8570712  595161404441529 0    431628 0      C-13-H3C(O)CH3
  555238.1810  0.0035 -3.5696 3  459.8570712  595161404441629 0    431528 0      C-13-H3C(O)CH3
  555242.9689  0.0047 -3.5696 3  459.8293712  595161404441629 1    431528 1      C-13-H3C(O)CH3
  555242.9689  0.0047 -3.5696 3  459.8293712  595161404441529 1    431628 1      C-13-H3C(O)CH3
  555246.5243  0.0047 -3.5696 3  459.8280712  595161404441529 2    431628 2      C-13-H3C(O)CH3
  555246.5243  0.0047 -3.5696 3  459.8280712  595161404441629 2    431528 2      C-13-H3C(O)CH3
  555251.2888  0.0046 -3.8705 3  459.8003356  595161404441629 4    431528 4      C-13-H3C(O)CH3
  555251.2888  0.0046 -3.8705 3  459.8003356  595161404441529 4    431628 4      C-13-H3C(O)CH3
  555251.3291  0.0046 -3.8705 3  459.8003356  595161404441629 3    431528 3      C-13-H3C(O)CH3
  555251.3291  0.0046 -3.8705 3  459.8003356  595161404441529 3    431628 3      C-13-H3C(O)CH3
  555298.0274  0.0043 -4.1258 3  153.1480408  595161404251213 0    241114 0      C-13-H3C(O)CH3
  555310.5109  0.0567 -5.3373 3  665.9121396  595161404493218 4    483316 4      C-13-H3C(O)CH3
  555313.0954  0.0460 -5.1013 3  665.9168792  595161404493218 2    483316 2      C-13-H3C(O)CH3
  555314.2208  0.0132 -4.0816 3  309.6495276  595161404342114 3    332013 3      C-13-H3C(O)CH3
  555323.7747  0.0135 -4.0815 3  309.6491276  595161404342114 4    332013 4      C-13-H3C(O)CH3
  555341.6822  0.0042 -4.1259 3  153.1496408  595161404251313 2    241014 2      C-13-H3C(O)CH3
  555380.6457  0.0041 -4.1260 3  153.1522408  595161404251313 1    241014 1      C-13-H3C(O)CH3
  555387.3951  0.0481 -5.4245 3  800.0690548  59516140468 465 4    68 266 4      C-13-H3C(O)CH3
  555387.3951  0.0481 -5.4245 3  800.0690548  59516140468 365 4    68 366 4      C-13-H3C(O)CH3
  555387.8694  0.0475 -6.0809 3  800.0690548  59516140468 465 3    68 366 3      C-13-H3C(O)CH3
  555387.8694  0.0475 -5.5293 3  800.0690548  59516140468 465 3    68 266 3      C-13-H3C(O)CH3
  555387.8694  0.0475 -5.5293 3  800.0690548  59516140468 365 3    68 366 3      C-13-H3C(O)CH3
  555387.8694  0.0475 -6.0809 3  800.0690548  59516140468 365 3    68 266 3      C-13-H3C(O)CH3
  555390.0491  0.5466 -6.4576 3 1050.7316A00  595161404623626 0    613923 0      C-13-H3C(O)CH3
  555431.3730  0.0101 -3.7807 3  309.6902552  595161404342114 0    332013 0      C-13-H3C(O)CH3
  555436.9365  0.0677 -5.0895 3  841.7002B12  59516140469 565 1    69 366 1      C-13-H3C(O)CH3
  555436.9365  0.0677 -5.0895 3  841.7002B12  59516140469 465 1    69 466 1      C-13-H3C(O)CH3
  555439.1587  0.0660 -5.4339 3  841.6999B12  59516140469 465 2    69 466 2      C-13-H3C(O)CH3
  555439.1587  0.0660 -5.4339 3  841.6999B12  59516140469 565 2    69 366 2      C-13-H3C(O)CH3
  555439.1587  0.0660 -5.3423 3  841.6999B12  59516140469 465 2    69 366 2      C-13-H3C(O)CH3
  555439.1587  0.0660 -5.3423 3  841.6999B12  59516140469 565 2    69 466 2      C-13-H3C(O)CH3
  555442.3444  0.0382 -5.1448 3  665.9104792  595161404493218 1    483316 1      C-13-H3C(O)CH3
  555464.1826  0.0607 -5.7570 3  637.0178388  595161404483117 4    473216 4      C-13-H3C(O)CH3
  555500.7483  0.0082 -5.4581 3   88.5445180  59516140422 418 3    21 319 3      C-13-H3C(O)CH3
  555500.7483  0.0082 -5.7234 3   88.5445180  59516140422 518 3    21 319 3      C-13-H3C(O)CH3
  555500.7483  0.0082 -5.4581 3   88.5445180  59516140422 518 3    21 219 3      C-13-H3C(O)CH3
  555500.7483  0.0082 -5.7234 3   88.5445180  59516140422 418 3    21 219 3      C-13-H3C(O)CH3
  555501.0541  0.0099 -5.4866 3   88.5445180  59516140422 418 4    21 219 4      C-13-H3C(O)CH3
  555501.0541  0.0099 -5.6753 3   88.5445180  59516140422 418 4    21 319 4      C-13-H3C(O)CH3
  555501.0541  0.0099 -5.6755 3   88.5445180  59516140422 518 4    21 219 4      C-13-H3C(O)CH3
  555501.0541  0.0099 -5.4865 3   88.5445180  59516140422 518 4    21 319 4      C-13-H3C(O)CH3
  555524.8316  0.1930 -6.0622 3 1619.7892D84  595161404862066 0    861967 0      C-13-H3C(O)CH3
  555524.8316  0.1930 -6.0622 3 1619.7892D84  595161404862166 0    862067 0      C-13-H3C(O)CH3
  555526.0822  0.2175 -6.0777 3 1619.8108D84  595161404862166 1    861967 1      C-13-H3C(O)CH3
  555526.0822  0.2175 -6.0777 3 1619.8108D84  595161404862066 1    862067 1      C-13-H3C(O)CH3
  555529.9373  0.0034 -4.9432 3  261.1294252  595161404312110 4    302010 4      C-13-H3C(O)CH3
  555536.8122  0.2127 -6.1831 3 1619.8124D84  595161404862166 2    861967 2      C-13-H3C(O)CH3
  555536.8122  0.2127 -6.1831 3 1619.8124D84  595161404862066 2    862067 2      C-13-H3C(O)CH3
  555538.1264  0.1417 -6.4354 3 1619.8341692  595161404862166 3    861967 3      C-13-H3C(O)CH3
  555538.1264  0.1417 -6.4354 3 1619.8341692  595161404862066 3    862067 3      C-13-H3C(O)CH3
  555538.1984  0.1417 -6.3386 3 1619.8341692  595161404862066 4    861967 4      C-13-H3C(O)CH3
  555538.1984  0.1417 -6.3386 3 1619.8341692  595161404862166 4    862067 4      C-13-H3C(O)CH3
  555544.4002  0.0043 -5.1491 3  261.1287252  595161404312110 3    302010 3      C-13-H3C(O)CH3
  555544.4855  0.0043 -4.1255 3  153.1478408  595161404251313 0    241014 0      C-13-H3C(O)CH3
  555561.2529  0.0033 -4.7471 3  261.1482504  595161404312110 1    302010 1      C-13-H3C(O)CH3
  555566.1752  0.0113 -3.7799 3  309.6614552  595161404342114 2    332013 2      C-13-H3C(O)CH3
  555590.6609  0.0095 -6.2370 3  320.5120584  595161404361521 2    361224 2      C-13-H3C(O)CH3
  555590.7284  0.0095 -6.2370 3  320.5120584  595161404361621 2    361324 2      C-13-H3C(O)CH3
  555619.1278  0.0095 -6.2352 3  320.5136584  595161404361521 1    361224 1      C-13-H3C(O)CH3
  555619.1919  0.0095 -6.2352 3  320.5136584  595161404361621 1    361324 1      C-13-H3C(O)CH3
  555619.6064  0.0659 -5.5443 3  759.0409540  59516140467 365 3    67 266 3      C-13-H3C(O)CH3
  555619.6064  0.0659 -5.5443 3  759.0409540  59516140467 265 3    67 166 3      C-13-H3C(O)CH3
  555619.7806  0.0665 -5.5247 3  759.0409540  59516140467 265 4    67 166 4      C-13-H3C(O)CH3
  555619.7806  0.0665 -5.5247 3  759.0409540  59516140467 365 4    67 266 4      C-13-H3C(O)CH3
  555669.8229  0.0083 -6.2357 3  320.5371584  595161404361521 0    361224 0      C-13-H3C(O)CH3
  555669.8857  0.0083 -6.2357 3  320.5371584  595161404361621 0    361324 0      C-13-H3C(O)CH3
  555718.0482  0.0133 -6.0289 3  507.8968712  595161404442222 0    441925 0      C-13-H3C(O)CH3
  555733.0912  0.2017 -6.2258 3 1009.2584984  595161404613427 1    603724 1      C-13-H3C(O)CH3
  555750.6803  0.0133 -6.0289 3  507.8968712  595161404442322 0    442025 0      C-13-H3C(O)CH3
  555758.6452  0.0393 -5.1161 3  841.7119B12  59516140469 465 0    69 466 0      C-13-H3C(O)CH3
  555758.6452  0.0393 -6.2335 3  841.7119B12  59516140469 565 0    69 466 0      C-13-H3C(O)CH3
  555758.6452  0.0393 -5.1161 3  841.7119B12  59516140469 565 0    69 366 0      C-13-H3C(O)CH3
  555758.6452  0.0393 -6.2335 3  841.7119B12  59516140469 465 0    69 366 0      C-13-H3C(O)CH3
  555778.3928  0.1525 -6.3263 3  888.3169904  595161404563917 0    563620 0      C-13-H3C(O)CH3
  555782.8842  0.0178 -6.0290 3  507.8719712  595161404442222 2    441925 2      C-13-H3C(O)CH3
  555808.3250  0.1238 -6.2672 3  950.2108952  595161404593525 2    593228 2      C-13-H3C(O)CH3
  555808.3676  0.2207 -6.2251 3 1009.2583984  595161404613427 2    603724 2      C-13-H3C(O)CH3
  555809.3677  0.0962 -5.8725 3  718.6056532  59516140466 265 3    66 066 3      C-13-H3C(O)CH3
  555809.3677  0.0962 -6.2614 3  718.6056532  59516140466 265 3    66 166 3      C-13-H3C(O)CH3
  555809.3677  0.0962 -5.8725 3  718.6056532  59516140466 165 3    66 166 3      C-13-H3C(O)CH3
  555809.3677  0.0962 -6.2614 3  718.6056532  59516140466 165 3    66 066 3      C-13-H3C(O)CH3
  555810.9264  0.0965 -5.7611 3  718.6056532  59516140466 165 4    66 166 4      C-13-H3C(O)CH3
  555810.9264  0.0965 -5.7611 3  718.6056532  59516140466 265 4    66 066 4      C-13-H3C(O)CH3
  555817.5532  0.0177 -6.0290 3  507.8719712  595161404442322 2    442025 2      C-13-H3C(O)CH3
  555817.8932  0.0143 -6.0280 3  507.8738712  595161404442222 1    441925 1      C-13-H3C(O)CH3
  555822.9841  0.1299 -6.2671 3  950.2097952  595161404593525 1    593228 1      C-13-H3C(O)CH3
  555833.6811  0.1285 -6.2674 3  950.2019952  595161404593525 0    593228 0      C-13-H3C(O)CH3
  555851.6886  0.0144 -6.0280 3  507.8738712  595161404442322 1    442025 1      C-13-H3C(O)CH3
  555882.9400  0.0186 -6.3290 3  507.8488356  595161404442222 3    441925 3      C-13-H3C(O)CH3
  555883.1771  0.0187 -6.3290 3  507.8488356  595161404442222 4    441925 4      C-13-H3C(O)CH3
  555886.7265  0.0619 -5.4169 3  800.0635A96  59516140468 465 1    68 266 1      C-13-H3C(O)CH3
  555886.7265  0.0619 -5.4249 3  800.0635A96  59516140468 365 1    68 266 1      C-13-H3C(O)CH3
  555886.7265  0.0619 -5.4169 3  800.0635A96  59516140468 365 1    68 366 1      C-13-H3C(O)CH3
  555886.7265  0.0619 -5.4249 3  800.0635A96  59516140468 465 1    68 366 1      C-13-H3C(O)CH3
  555888.2788  0.0571 -5.1305 3  800.0631A96  59516140468 365 2    68 266 2      C-13-H3C(O)CH3
  555888.2788  0.0571 -5.1305 3  800.0631A96  59516140468 465 2    68 366 2      C-13-H3C(O)CH3
  555918.8577  0.0184 -6.3290 3  507.8488356  595161404442322 3    442025 3      C-13-H3C(O)CH3
  555918.9924  0.0185 -6.3290 3  507.8488356  595161404442322 4    442025 4      C-13-H3C(O)CH3
  555921.5328  0.0042 -3.5087 3  249.0203236  5951614042925 4 4    2824 4 4      C-13-H3C(O)CH3
  556004.9506  0.0099 -4.9895 3   88.4932360  59516140422 518 2    21 319 2      C-13-H3C(O)CH3
  556004.9506  0.0099 -6.2723 3   88.4932360  59516140422 518 2    21 219 2      C-13-H3C(O)CH3
  556004.9506  0.0099 -6.2723 3   88.4932360  59516140422 418 2    21 319 2      C-13-H3C(O)CH3
  556004.9506  0.0099 -4.9895 3   88.4932360  59516140422 418 2    21 219 2      C-13-H3C(O)CH3
  556010.2616  0.0100 -4.9685 3   88.4938360  59516140422 418 1    21 219 1      C-13-H3C(O)CH3
  556010.2616  0.0100 -4.9685 3   88.4938360  59516140422 518 1    21 319 1      C-13-H3C(O)CH3
  556050.3355  0.0035 -3.2074 3  249.0474472 -5951614042925 4 1    2824 4 1      C-13-H3C(O)CH3
  556052.1418  0.0032 -3.7334 3  519.7041428  59516140453 548 4    52 547 4      C-13-H3C(O)CH3
  556052.1771  0.0032 -3.8164 3  519.7041428 -59516140453 648 3    52 647 3      C-13-H3C(O)CH3
  556052.1771  0.0032 -3.8164 3  519.7041428 -59516140453 548 3    52 547 3      C-13-H3C(O)CH3
  556052.1771  0.0032 -3.7334 3  519.7041428 -59516140453 648 4    52 647 4      C-13-H3C(O)CH3
  556052.1887  0.0032 -4.4927 3  519.7041428  59516140453 648 3    52 547 3      C-13-H3C(O)CH3
  556052.1887  0.0032 -4.4927 3  519.7041428  59516140453 548 3    52 647 3      C-13-H3C(O)CH3
  556070.4778  0.0036 -3.2073 3  249.0651472 -5951614042925 4 2    2824 4 2      C-13-H3C(O)CH3
  556080.7236  0.0043 -3.9583 3  519.7205856  59516140453 548 1    52 647 1      C-13-H3C(O)CH3
  556080.7236  0.0043 -3.5859 3  519.7205856  59516140453 648 1    52 647 1      C-13-H3C(O)CH3
  556080.9423  0.0041 -4.5859 3  519.7201856 -59516140453 648 2    52 647 2      C-13-H3C(O)CH3
  556080.9423  0.0043 -3.9583 3  519.7205856 -59516140453 648 1    52 547 1      C-13-H3C(O)CH3
  556080.9423  0.0043 -3.5859 3  519.7205856 -59516140453 548 1    52 547 1      C-13-H3C(O)CH3
  556080.9423  0.0041 -3.4640 3  519.7201856 -59516140453 548 2    52 647 2      C-13-H3C(O)CH3
  556081.0519  0.0041 -3.4640 3  519.7201856  59516140453 648 2    52 547 2      C-13-H3C(O)CH3
  556081.0519  0.0041 -4.5859 3  519.7201856  59516140453 548 2    52 547 2      C-13-H3C(O)CH3
  556081.4280  0.3578 -6.3071 3 1014.8383984  595161404613526 1    603823 1      C-13-H3C(O)CH3
  556095.6065  0.1486 -6.2552 3  915.3872936  595161404583325 1    583028 1      C-13-H3C(O)CH3
  556098.7372  0.0040 -3.5084 3  248.9951236  5951614042925 5 3    2824 5 3      C-13-H3C(O)CH3
  556099.7185  0.2213 -6.2553 3  915.3880936  595161404583325 2    583028 2      C-13-H3C(O)CH3
  556101.5455  0.0205 -5.2054 3  152.5075196  5951614042417 8 4    2314 9 4      C-13-H3C(O)CH3
  556109.4917  0.0031 -3.6710 3  519.7365856 -59516140453 648 0    52 547 0      C-13-H3C(O)CH3
  556109.4917  0.0031 -3.8062 3  519.7365856 -59516140453 548 0    52 547 0      C-13-H3C(O)CH3
  556109.5481  0.0031 -3.8062 3  519.7365856  59516140453 648 0    52 647 0      C-13-H3C(O)CH3
  556109.5481  0.0031 -3.6710 3  519.7365856  59516140453 548 0    52 647 0      C-13-H3C(O)CH3
  556126.6687  0.2204 -6.2247 3 1009.2412984  595161404613427 0    603724 0      C-13-H3C(O)CH3
  556127.4304  0.1925 -6.1657 3 1568.2968D68  595161404851966 0    851967 0      C-13-H3C(O)CH3
  556127.4304  0.1925 -6.3520 3 1568.2968D68  595161404852066 0    851967 0      C-13-H3C(O)CH3
  556127.4304  0.1925 -6.4090 3 1568.2968D68  595161404851966 0    851867 0      C-13-H3C(O)CH3
  556127.4304  0.1925 -6.1323 3 1568.2968D68  595161404852066 0    851867 0      C-13-H3C(O)CH3
  556129.2703  0.0035 -4.2319 3  470.1968728  595161404451531 0    441430 0      C-13-H3C(O)CH3
  556129.2703  0.0035 -4.5176 3  470.1968728  595161404451431 0    441530 0      C-13-H3C(O)CH3
  556129.2703  0.0035 -3.6034 3  470.1968728  595161404451431 0    441430 0      C-13-H3C(O)CH3
  556129.2703  0.0035 -3.6557 3  470.1968728  595161404451531 0    441530 0      C-13-H3C(O)CH3
  556132.5823  0.0049 -5.3269 3  470.1686728  595161404451431 1    441430 1      C-13-H3C(O)CH3
  556132.5823  0.0049 -3.5608 3  470.1686728  595161404451531 1    441430 1      C-13-H3C(O)CH3
  556132.5823  0.0049 -5.3312 3  470.1686728  595161404451531 1    441530 1      C-13-H3C(O)CH3
  556132.5823  0.0049 -3.5607 3  470.1686728  595161404451431 1    441530 1      C-13-H3C(O)CH3
  556135.3093  0.0049 -3.7515 3  470.1675728  595161404451431 2    441530 2      C-13-H3C(O)CH3
  556135.3093  0.0049 -3.7515 3  470.1675728  595161404451531 2    441430 2      C-13-H3C(O)CH3
  556135.3093  0.0049 -3.9898 3  470.1675728  595161404451431 2    441430 2      C-13-H3C(O)CH3
  556135.3093  0.0049 -3.9898 3  470.1675728  595161404451531 2    441530 2      C-13-H3C(O)CH3
  556138.5956  0.0046 -6.0412 3  470.1392364  595161404451431 4    441430 4      C-13-H3C(O)CH3
  556138.5956  0.0046 -3.8573 3  470.1392364  595161404451431 4    441530 4      C-13-H3C(O)CH3
  556138.5956  0.0046 -3.8573 3  470.1392364  595161404451531 4    441430 4      C-13-H3C(O)CH3
  556138.5956  0.0046 -6.0412 3  470.1392364  595161404451531 4    441530 4      C-13-H3C(O)CH3
  556138.6374  0.0046 -4.6061 3  470.1392364  595161404451531 3    441430 3      C-13-H3C(O)CH3
  556138.6374  0.0046 -3.9391 3  470.1392364  595161404451531 3    441530 3      C-13-H3C(O)CH3
  556138.6374  0.0046 -4.6061 3  470.1392364  595161404451431 3    441530 3      C-13-H3C(O)CH3
  556138.6374  0.0046 -3.9391 3  470.1392364  595161404451431 3    441430 3      C-13-H3C(O)CH3
  556148.8773  0.2245 -5.9595 3 1568.3174D68  595161404851966 1    851867 1      C-13-H3C(O)CH3
  556148.8773  0.2245 -5.9595 3 1568.3174D68  595161404852066 1    851967 1      C-13-H3C(O)CH3
  556158.9153  0.2203 -5.9483 3 1568.3186D68  595161404852066 2    851867 2      C-13-H3C(O)CH3
  556158.9153  0.2203 -5.9483 3 1568.3186D68  595161404851966 2    851967 2      C-13-H3C(O)CH3
  556163.3506  0.0040 -3.5082 3  249.0015236  5951614042925 4 3    2824 4 3      C-13-H3C(O)CH3
  556180.4456  0.1385 -6.2683 3 1568.3392684  595161404851966 3    851867 3      C-13-H3C(O)CH3
  556180.4456  0.1385 -6.2683 3 1568.3392684  595161404852066 3    851967 3      C-13-H3C(O)CH3
  556180.5473  0.1385 -6.2973 3 1568.3392684  595161404851966 4    851867 4      C-13-H3C(O)CH3
  556180.5473  0.1385 -6.2973 3 1568.3392684  595161404852066 4    851967 4      C-13-H3C(O)CH3
  556197.3296  0.4781 -6.3061 3 1014.8381984  595161404613526 2    603823 2      C-13-H3C(O)CH3
  556199.4241  0.0031 -3.2070 3  249.0921472 -5951614042925 4 0    2824 5 0      C-13-H3C(O)CH3
  556199.4241  0.0031 -3.2070 3  249.0921472 -5951614042925 5 0    2824 4 0      C-13-H3C(O)CH3
  556211.7939  0.0442 -5.8835 3  953.6682920  595161404574414 0    564511 0      C-13-H3C(O)CH3
  556211.7940  0.0442 -5.8835 3  953.6682920  595161404574413 0    564512 0      C-13-H3C(O)CH3
  556247.0396  0.0033 -3.2071 3  249.0398472 -5951614042925 5 2    2824 5 2      C-13-H3C(O)CH3
  556279.0504  0.0540 -5.8837 3  953.6893920  595161404574414 1    564512 1      C-13-H3C(O)CH3
  556291.3780  0.0033 -3.2069 3  249.0286472 -5951614042925 5 1    2824 5 1      C-13-H3C(O)CH3
  556338.4361  0.0879 -6.2166 3  759.0102A80  59516140467 265 2    67 266 2      C-13-H3C(O)CH3
  556338.4361  0.0879 -5.2519 3  759.0102A80  59516140467 365 2    67 266 2      C-13-H3C(O)CH3
  556338.4361  0.0879 -6.2166 3  759.0102A80  59516140467 365 2    67 166 2      C-13-H3C(O)CH3
  556338.4361  0.0879 -5.2519 3  759.0102A80  59516140467 265 2    67 166 2      C-13-H3C(O)CH3
  556338.9244  0.0932 -5.2148 3  759.0106A80  59516140467 265 1    67 266 1      C-13-H3C(O)CH3
  556338.9244  0.0932 -5.2148 3  759.0106A80  59516140467 365 1    67 166 1      C-13-H3C(O)CH3
  556339.6523  0.0042 -3.5079 3  248.9764236  5951614042925 5 4    2824 5 4      C-13-H3C(O)CH3
  556386.3944  0.0443 -6.0988 3  800.0576A96  59516140468 465 0    68 266 0      C-13-H3C(O)CH3
  556386.3944  0.0443 -6.0988 3  800.0576A96  59516140468 365 0    68 366 0      C-13-H3C(O)CH3
  556386.3944  0.0443 -5.1669 3  800.0576A96  59516140468 465 0    68 366 0      C-13-H3C(O)CH3
  556386.3944  0.0443 -5.1669 3  800.0576A96  59516140468 365 0    68 266 0      C-13-H3C(O)CH3
  556399.4785  0.0510 -5.8837 3  953.6958920  595161404574413 1    564511 1      C-13-H3C(O)CH3
  556423.7297  0.0767 -6.2664 3  744.6162824  595161404513714 0    513417 0      C-13-H3C(O)CH3
  556442.4678  0.1519 -6.2555 3  915.3807936  595161404583325 0    583028 0      C-13-H3C(O)CH3
  556446.0400  0.0097 -5.5149 3  109.3848344  5951614042113 8 2    201011 2      C-13-H3C(O)CH3
  556450.6297  0.0665 -5.0031 3  554.4300364  595161404452817 3    442916 3      C-13-H3C(O)CH3
  556464.3228  0.0556 -5.8835 3  953.7054920  595161404574413 2    564511 2      C-13-H3C(O)CH3
  556467.1079  0.0519 -5.8838 3  953.6854920  595161404574414 2    564512 2      C-13-H3C(O)CH3
  556503.6451  0.0112 -5.8224 3  109.4037172  5951614042113 8 3    201011 3      C-13-H3C(O)CH3
  556513.3129  0.0095 -4.9695 3   88.4427360  59516140422 418 0    21 319 0      C-13-H3C(O)CH3
  556513.3129  0.0095 -4.9695 3   88.4427360  59516140422 518 0    21 219 0      C-13-H3C(O)CH3
  556528.7646  0.0135 -5.8232 3  109.4037172  5951614042113 8 4    201011 4      C-13-H3C(O)CH3
  556532.1980  0.0711 -6.1848 3  953.7265460  595161404574413 3    564511 3      C-13-H3C(O)CH3
  556536.2115  0.0699 -6.1851 3  953.7065460  595161404574414 4    564512 4      C-13-H3C(O)CH3
  556578.6020  0.0796 -6.2898 3  744.6456824  595161404513714 1    513417 1      C-13-H3C(O)CH3
  556597.1268  0.0651 -6.2811 3  744.6581824  595161404513714 2    513417 2      C-13-H3C(O)CH3
  556601.6294  0.0089 -5.5118 3  109.3686344  5951614042113 8 0    201011 0      C-13-H3C(O)CH3
  556652.5511  0.0735 -6.1847 3  953.7331460  595161404574413 4    564511 4      C-13-H3C(O)CH3
  556655.9704  0.0675 -6.1850 3  953.7131460  595161404574414 3    564512 3      C-13-H3C(O)CH3
  556668.6267  0.0096 -5.5187 3  109.3874344  5951614042113 8 1    201011 1      C-13-H3C(O)CH3
  556683.9604  0.0442 -5.3350 3  665.9878396  595161404493217 4    483315 4      C-13-H3C(O)CH3
  556710.4198  0.1889 -5.9099 3 1517.3781D52  595161404841866 0    841767 0      C-13-H3C(O)CH3
  556710.4198  0.1889 -5.9099 3 1517.3781D52  595161404841966 0    841867 0      C-13-H3C(O)CH3
  556753.7822  0.2255 -5.9544 3 1517.3968D52  595161404841866 1    841867 1      C-13-H3C(O)CH3
  556753.7822  0.2255 -5.9544 3 1517.3968D52  595161404841966 1    841767 1      C-13-H3C(O)CH3
  556762.7369  0.2223 -6.0792 3 1517.3975D52  595161404841966 2    841867 2      C-13-H3C(O)CH3
  556762.7369  0.2223 -6.0792 3 1517.3975D52  595161404841866 2    841767 2      C-13-H3C(O)CH3
  556762.7369  0.2223 -6.2695 3 1517.3975D52  595161404841866 2    841867 2      C-13-H3C(O)CH3
  556762.7369  0.2223 -6.2695 3 1517.3975D52  595161404841966 2    841767 2      C-13-H3C(O)CH3
  556791.3047  0.1643 -5.6250 3  718.5415A64  59516140466 265 2    66 166 2      C-13-H3C(O)CH3
  556791.3047  0.1643 -5.6250 3  718.5415A64  59516140466 165 2    66 066 2      C-13-H3C(O)CH3
  556791.3047  0.1643 -5.8461 3  718.5415A64  59516140466 265 2    66 066 2      C-13-H3C(O)CH3
  556791.3047  0.1643 -5.8461 3  718.5415A64  59516140466 165 2    66 166 2      C-13-H3C(O)CH3
  556795.8064  0.1677 -5.8583 3  718.5418A64  59516140466 265 1    66 166 1      C-13-H3C(O)CH3
  556795.8064  0.1677 -5.8583 3  718.5418A64  59516140466 165 1    66 066 1      C-13-H3C(O)CH3
  556795.8064  0.1677 -5.6181 3  718.5418A64  59516140466 165 1    66 166 1      C-13-H3C(O)CH3
  556795.8064  0.1677 -5.6181 3  718.5418A64  59516140466 265 1    66 066 1      C-13-H3C(O)CH3
  556806.2029  0.1341 -6.2125 3 1517.4162676  595161404841866 3    841867 3      C-13-H3C(O)CH3
  556806.2029  0.1341 -6.2125 3 1517.4162676  595161404841966 3    841767 3      C-13-H3C(O)CH3
  556806.3352  0.1342 -6.3508 3 1517.4162676  595161404841966 4    841867 4      C-13-H3C(O)CH3
  556806.3352  0.1342 -6.3508 3 1517.4162676  595161404841866 4    841767 4      C-13-H3C(O)CH3
  556812.2931  0.0510 -5.5550 3  763.2169420  595161404523617 4    513715 4      C-13-H3C(O)CH3
  556839.8267  0.0486 -5.2540 3  763.2031840  595161404523617 2    513715 2      C-13-H3C(O)CH3
  556905.0468  0.0479 -5.0985 3  665.9597792  595161404493217 2    483315 2      C-13-H3C(O)CH3
  556964.3814  0.0556 -4.7437 3  554.4292728  595161404452817 2    442916 2      C-13-H3C(O)CH3
  556986.6630  0.0760 -6.2657 3  744.5974824  595161404513715 0    513418 0      C-13-H3C(O)CH3
  556994.4007  0.0458 -5.5631 3  763.2377420  595161404523617 3    513715 3      C-13-H3C(O)CH3
  557000.8726  0.0509 -5.2542 3  763.1903840  595161404523617 1    513715 1      C-13-H3C(O)CH3
  557014.7374  0.0496 -5.2540 3  763.1765840  595161404523617 0    513714 0      C-13-H3C(O)CH3
  557029.2053  0.0142 -4.8472 3  152.5042392  5951614042417 8 1    2314 9 1      C-13-H3C(O)CH3
  557029.2660  0.0543 -5.0977 3  554.4124364  595161404452817 4    442916 4      C-13-H3C(O)CH3
  557042.6634  0.0643 -5.6322 3  665.9551396  595161404493217 3    483315 3      C-13-H3C(O)CH3
  557044.8238  0.3968 -6.2999 3 1014.8122984  595161404613526 0    603823 0      C-13-H3C(O)CH3
  557045.8865  0.0496 -5.2539 3  763.1765840  595161404523616 0    513715 0      C-13-H3C(O)CH3
  557049.1164  0.0144 -5.0309 3  152.5071196  5951614042417 8 3    2314 9 3      C-13-H3C(O)CH3
  557056.3993  0.0711 -5.2168 3  758.9799A80  59516140467 265 0    67 166 0      C-13-H3C(O)CH3
  557056.3993  0.0711 -5.2168 3  758.9799A80  59516140467 365 0    67 266 0      C-13-H3C(O)CH3
  557085.1742  0.0035 -3.7999 3  479.9690744  595161404461433 0    451432 0      C-13-H3C(O)CH3
  557085.1742  0.0035 -3.8847 3  479.9690744  595161404461333 0    451432 0      C-13-H3C(O)CH3
  557085.1742  0.0035 -3.7999 3  479.9690744  595161404461333 0    451332 0      C-13-H3C(O)CH3
  557085.1742  0.0035 -3.8847 3  479.9690744  595161404461433 0    451332 0      C-13-H3C(O)CH3
  557086.3182  0.0051 -3.8990 3  479.9402744  595161404461333 1    451432 1      C-13-H3C(O)CH3
  557086.3182  0.0051 -3.8990 3  479.9402744  595161404461433 1    451332 1      C-13-H3C(O)CH3
  557086.3182  0.0051 -3.7883 3  479.9402744  595161404461433 1    451432 1      C-13-H3C(O)CH3
  557086.3182  0.0051 -3.7883 3  479.9402744  595161404461333 1    451332 1      C-13-H3C(O)CH3
  557088.4437  0.0051 -3.6945 3  479.9393744  595161404461433 2    451432 2      C-13-H3C(O)CH3
  557088.4437  0.0051 -3.6945 3  479.9393744  595161404461333 2    451332 2      C-13-H3C(O)CH3
  557088.4437  0.0051 -4.0608 3  479.9393744  595161404461333 2    451432 2      C-13-H3C(O)CH3
  557088.4437  0.0051 -4.0608 3  479.9393744  595161404461433 2    451332 2      C-13-H3C(O)CH3
  557089.5562  0.0046 -3.8603 3  479.9104372  595161404461333 4    451332 4      C-13-H3C(O)CH3
  557089.5562  0.0046 -5.1819 3  479.9104372  595161404461433 4    451332 4      C-13-H3C(O)CH3
  557089.5562  0.0046 -3.8603 3  479.9104372  595161404461433 4    451432 4      C-13-H3C(O)CH3
  557089.5562  0.0046 -5.1819 3  479.9104372  595161404461333 4    451432 4      C-13-H3C(O)CH3
  557089.6012  0.0046 -5.1808 3  479.9105372  595161404461433 3    451332 3      C-13-H3C(O)CH3
  557089.6012  0.0046 -3.8604 3  479.9105372  595161404461333 3    451332 3      C-13-H3C(O)CH3
  557089.6012  0.0046 -5.1808 3  479.9105372  595161404461333 3    451432 3      C-13-H3C(O)CH3
  557089.6012  0.0046 -3.8604 3  479.9105372  595161404461433 3    451432 3      C-13-H3C(O)CH3
  557106.0368  0.0124 -5.7393 3  164.7713204  5951614042517 8 4    241410 4      C-13-H3C(O)CH3
  557107.0738  0.0444 -5.4789 3  834.7853872  595161404543916 0    534013 0      C-13-H3C(O)CH3
  557107.5769  0.0444 -5.4789 3  834.7853872  595161404543915 0    534014 0      C-13-H3C(O)CH3
  557117.6944  0.0448 -5.4787 3  834.8227872  595161404543916 2    534014 2      C-13-H3C(O)CH3
  557121.6253  0.0041 -3.6206 3  253.9557244  5951614043023 7 4    2922 7 4      C-13-H3C(O)CH3
  557137.5597  0.0463 -5.1417 3  665.9434792  595161404493217 1    483315 1      C-13-H3C(O)CH3
  557150.9318  0.0361 -6.3528 3  592.0022728  595161404453510 2    453213 2      C-13-H3C(O)CH3
  557150.9473  0.0105 -5.7854 3  164.7722408  5951614042517 8 1    241410 1      C-13-H3C(O)CH3
  557172.9873  0.0763 -6.2908 3  744.6050824  595161404513715 1    513418 1      C-13-H3C(O)CH3
  557173.8947  0.0362 -5.5631 3  763.2379420  595161404523616 3    513714 3      C-13-H3C(O)CH3
  557173.9112  0.0031 -3.7541 3  524.5218436  59516140454 450 4    53 449 4      C-13-H3C(O)CH3
  557173.9112  0.0031 -4.8620 3  524.5218436  59516140454 550 4    53 449 4      C-13-H3C(O)CH3
  557173.9431  0.0031 -3.8177 3  524.5218436  59516140454 450 3    53 449 3      C-13-H3C(O)CH3
  557173.9431  0.0031 -3.8177 3  524.5218436  59516140454 550 3    53 549 3      C-13-H3C(O)CH3
  557173.9518  0.0031 -4.8620 3  524.5218436 -59516140454 450 4    53 549 4      C-13-H3C(O)CH3
  557173.9518  0.0031 -4.4234 3  524.5218436 -59516140454 450 3    53 549 3      C-13-H3C(O)CH3
  557173.9518  0.0031 -4.4234 3  524.5218436 -59516140454 550 3    53 449 3      C-13-H3C(O)CH3
  557173.9518  0.0031 -3.7541 3  524.5218436 -59516140454 550 4    53 549 4      C-13-H3C(O)CH3
  557186.6119  0.0489 -5.2540 3  763.2111840  595161404523616 1    513714 1      C-13-H3C(O)CH3
  557202.2656  0.0419 -5.2539 3  763.2242840  595161404523616 2    513714 2      C-13-H3C(O)CH3
  557204.3097  0.0042 -4.0193 3  524.5306872  59516140454 550 1    53 549 1      C-13-H3C(O)CH3
  557204.3097  0.0042 -4.0193 3  524.5306872  59516140454 450 1    53 449 1      C-13-H3C(O)CH3
  557204.4512  0.0042 -3.5465 3  524.5306872 -59516140454 450 1    53 549 1      C-13-H3C(O)CH3
  557204.4512  0.0040 -3.4211 3  524.5302872 -59516140454 550 2    53 449 2      C-13-H3C(O)CH3
  557204.4512  0.0042 -3.5465 3  524.5306872 -59516140454 550 1    53 449 1      C-13-H3C(O)CH3
  557204.4512  0.0040 -6.2560 3  524.5302872 -59516140454 450 2    53 449 2      C-13-H3C(O)CH3
  557204.5157  0.0040 -6.2560 3  524.5302872  59516140454 550 2    53 549 2      C-13-H3C(O)CH3
  557204.5157  0.0040 -3.4211 3  524.5302872  59516140454 450 2    53 549 2      C-13-H3C(O)CH3
  557208.0464  0.0467 -5.4789 3  834.8084872  595161404543916 1    534014 1      C-13-H3C(O)CH3
  557218.7674  0.0481 -5.7798 3  834.8457436  595161404543916 4    534014 4      C-13-H3C(O)CH3
  557222.3260  0.0034 -3.3193 3  253.9714488 -5951614043023 7 1    2922 7 1      C-13-H3C(O)CH3
  557234.8347  0.0031 -3.4933 3  524.5391872  59516140454 450 0    53 549 0      C-13-H3C(O)CH3
  557234.8347  0.0031 -4.2315 3  524.5391872  59516140454 550 0    53 549 0      C-13-H3C(O)CH3
  557234.8468  0.0031 -3.4933 3  524.5391872 -59516140454 550 0    53 449 0      C-13-H3C(O)CH3
  557234.8468  0.0031 -4.2315 3  524.5391872 -59516140454 450 0    53 449 0      C-13-H3C(O)CH3
  557251.5183  0.0310 -4.7169 3  554.4273728  595161404452817 1    442916 1      C-13-H3C(O)CH3
  557258.8180  0.0039 -3.6209 3  253.9377244  5951614043023 7 3    2922 7 3      C-13-H3C(O)CH3
  557275.1151  0.1813 -5.7822 3 1467.0340D36  595161404831766 0    831667 0      C-13-H3C(O)CH3
  557275.1151  0.1813 -5.7822 3 1467.0340D36  595161404831866 0    831767 0      C-13-H3C(O)CH3
  557281.6488  0.0036 -3.3190 3  253.9801488 -5951614043023 7 2    2922 7 2      C-13-H3C(O)CH3
  557295.4211  0.0438 -5.4789 3  834.8174872  595161404543915 1    534013 1      C-13-H3C(O)CH3
  557305.1285  0.0098 -4.5298 3  177.3540212  595161404261710 4    251411 4      C-13-H3C(O)CH3
  557305.1938  0.0476 -5.7801 3  834.8548436  595161404543915 3    534013 3      C-13-H3C(O)CH3
  557314.1431  0.0038 -3.6205 3  253.9295244  5951614043023 8 3    2922 8 3      C-13-H3C(O)CH3
  557341.4048  0.2199 -5.7835 3 1467.0498D36  595161404831766 1    831667 1      C-13-H3C(O)CH3
  557341.4048  0.2199 -5.7835 3 1467.0498D36  595161404831866 1    831767 1      C-13-H3C(O)CH3
  557348.9824  0.2178 -5.7920 3 1467.0502D36  595161404831866 2    831667 2      C-13-H3C(O)CH3
  557348.9824  0.2178 -5.7920 3 1467.0502D36  595161404831766 2    831767 2      C-13-H3C(O)CH3
  557352.5243  0.0620 -5.5206 3  665.9448396  595161404493217 3    483316 3      C-13-H3C(O)CH3
  557358.2397  0.0417 -5.5548 3  763.2588420  595161404523616 4    513714 4      C-13-H3C(O)CH3
  557375.3194  0.0029 -3.3188 3  253.9958488 -5951614043023 8 0    2922 7 0      C-13-H3C(O)CH3
  557387.6296  0.0029 -3.3188 3  253.9955488 -5951614043023 7 0    2922 8 0      C-13-H3C(O)CH3
  557391.8950  0.0431 -5.4789 3  834.8252872  595161404543915 2    534013 2      C-13-H3C(O)CH3
  557394.8968  0.0368 -6.3525 3  591.9845728  595161404453510 1    453213 1      C-13-H3C(O)CH3
  557409.8448  0.0102 -4.5267 3  177.3534212  595161404261710 3    251411 3      C-13-H3C(O)CH3
  557411.9237  0.0354 -6.3536 3  591.9549728  595161404453511 1    453214 1      C-13-H3C(O)CH3
  557413.6447  0.0030 -3.3190 3  253.9452488 -5951614043023 8 1    2922 8 1      C-13-H3C(O)CH3
  557415.3955  0.1285 -6.1618 3 1467.0660668  595161404831766 3    831667 3      C-13-H3C(O)CH3
  557415.3955  0.1285 -6.1618 3 1467.0660668  595161404831866 3    831767 3      C-13-H3C(O)CH3
  557415.5583  0.1286 -6.0835 3 1467.0660668  595161404831866 4    831767 4      C-13-H3C(O)CH3
  557415.5583  0.1286 -6.0835 3 1467.0660668  595161404831766 4    831667 4      C-13-H3C(O)CH3
  557416.8140  0.0039 -5.1458 3  261.0033252  595161404312111 3    302011 3      C-13-H3C(O)CH3
  557417.9418  0.0032 -3.3191 3  253.9621488 -5951614043023 8 2    2922 8 2      C-13-H3C(O)CH3
  557418.3103  0.0338 -6.3546 3  591.9680728  595161404453510 0    453213 0      C-13-H3C(O)CH3
  557431.3658  0.0338 -6.3546 3  591.9676728  595161404453511 0    453214 0      C-13-H3C(O)CH3
  557435.2233  0.0038 -4.9448 3  261.0023252  595161404312111 4    302011 4      C-13-H3C(O)CH3
  557440.2634  0.0331 -4.6932 3  554.4366728  595161404452817 0    442916 0      C-13-H3C(O)CH3
  557445.8731  0.0034 -4.7466 3  261.0222504  595161404312111 1    302011 1      C-13-H3C(O)CH3
  557451.3196  0.0035 -3.6203 3  253.9115244  5951614043023 8 4    2922 8 4      C-13-H3C(O)CH3
  557474.7862  0.0804 -6.2832 3  744.6078824  595161404513715 2    513418 2      C-13-H3C(O)CH3
  557477.9884  0.0100 -6.1144 3  164.7592408  5951614042517 8 2    241410 2      C-13-H3C(O)CH3
  557484.7464  0.0720 -6.0226 3  528.3881356  595161404442717 4    432815 4      C-13-H3C(O)CH3
  557492.4258  0.0468 -5.7802 3  834.8482436  595161404543916 3    534014 3      C-13-H3C(O)CH3
  557544.1727  0.0095 -4.2273 3  177.3594424  595161404261710 1    251411 1      C-13-H3C(O)CH3
  557576.1427  0.0313 -6.0180 3  603.8325760  595161404472919 2    463017 2      C-13-H3C(O)CH3
  557580.9352  0.0541 -5.7799 3  834.8572436  595161404543915 4    534013 4      C-13-H3C(O)CH3
  557628.9014  0.0351 -6.3560 3  591.9655728  595161404453511 2    453214 2      C-13-H3C(O)CH3
  557637.6091  0.1004 -6.4333 3  788.6341436  595161404543024 3    542727 3      C-13-H3C(O)CH3
  557639.4351  0.1009 -6.4333 3  788.6341436  595161404543024 4    542727 4      C-13-H3C(O)CH3
  557669.1133  0.0317 -5.9590 3  603.8213380  595161404472919 4    463017 4      C-13-H3C(O)CH3
  557673.2312  0.0405 -4.9706 3  665.9136792  595161404493217 0    483316 0      C-13-H3C(O)CH3
  557682.4531  0.0205 -6.3192 3  603.8305760  595161404472919 1    463017 1      C-13-H3C(O)CH3
  557713.1761  0.0133 -4.8156 3  152.4921392  5951614042417 8 2    2314 9 2      C-13-H3C(O)CH3
  557759.0500  0.0997 -6.1328 3  788.6347872  595161404543024 2    542727 2      C-13-H3C(O)CH3
  557775.3308  0.1240 -5.5265 3  718.4778A64  59516140466 265 0    66 066 0      C-13-H3C(O)CH3
  557775.3308  0.1240 -6.0762 3  718.4778A64  59516140466 265 0    66 166 0      C-13-H3C(O)CH3
  557775.3308  0.1240 -5.5265 3  718.4778A64  59516140466 165 0    66 166 0      C-13-H3C(O)CH3
  557775.3308  0.1240 -6.0762 3  718.4778A64  59516140466 165 0    66 066 0      C-13-H3C(O)CH3
  557789.9971  0.0648 -6.1325 3  788.6350872  595161404543024 1    542727 1      C-13-H3C(O)CH3
  557823.0835  0.1698 -5.7010 3 1417.2655D20  595161404821666 0    821667 0      C-13-H3C(O)CH3
  557823.0835  0.1698 -5.7010 3 1417.2655D20  595161404821766 0    821567 0      C-13-H3C(O)CH3
  557880.8457  0.0089 -4.2293 3  177.3484424  595161404261710 2    251411 2      C-13-H3C(O)CH3
  557908.4400  0.0643 -6.1330 3  788.6355872  595161404543024 0    542727 0      C-13-H3C(O)CH3
  557912.3997  0.2077 -5.8015 3 1417.2774D20  595161404821766 1    821667 1      C-13-H3C(O)CH3
  557912.3997  0.2077 -6.3847 3 1417.2774D20  595161404821766 1    821567 1      C-13-H3C(O)CH3
  557912.3997  0.2077 -6.3847 3 1417.2774D20  595161404821666 1    821667 1      C-13-H3C(O)CH3
  557912.3997  0.2077 -5.8015 3 1417.2774D20  595161404821666 1    821567 1      C-13-H3C(O)CH3
  557918.4175  0.2066 -5.8821 3 1417.2775D20  595161404821666 2    821567 2      C-13-H3C(O)CH3
  557918.4175  0.2066 -6.1678 3 1417.2775D20  595161404821666 2    821667 2      C-13-H3C(O)CH3
  557918.4175  0.2066 -6.1678 3 1417.2775D20  595161404821766 2    821567 2      C-13-H3C(O)CH3
  557918.4175  0.2066 -5.8821 3 1417.2775D20  595161404821766 2    821667 2      C-13-H3C(O)CH3
  557925.6810  0.0652 -6.0871 3  528.3925712  595161404442717 2    432815 2      C-13-H3C(O)CH3
  557930.7692  0.2589 -6.2406 3 1002.8398984  595161404613428 0    603525 0      C-13-H3C(O)CH3
  557936.2786  0.0135 -6.2279 3  152.5071196  5951614042417 7 3    2314 9 3      C-13-H3C(O)CH3
  558007.8752  0.1216 -6.1751 3 1417.2894660  595161404821666 3    821567 3      C-13-H3C(O)CH3
  558007.8752  0.1216 -6.1751 3 1417.2894660  595161404821766 3    821667 3      C-13-H3C(O)CH3
  558008.0670  0.1217 -6.1076 3 1417.2894660  595161404821766 4    821567 4      C-13-H3C(O)CH3
  558008.0670  0.1217 -6.1076 3 1417.2894660  595161404821666 4    821667 4      C-13-H3C(O)CH3
  558061.0371  0.0090 -4.2292 3  177.3542424  595161404261710 0    251411 0      C-13-H3C(O)CH3
  558084.6413  0.0045 -4.1852 3  489.1215380 -595161404471335 4    461234 4      C-13-H3C(O)CH3
  558084.6413  0.0045 -4.0776 3  489.1215380 -595161404471335 4    461334 4      C-13-H3C(O)CH3
  558084.6413  0.0045 -3.8332 3  489.1216380 -595161404471235 3    461234 3      C-13-H3C(O)CH3
  558084.6413  0.0045 -3.8332 3  489.1216380 -595161404471335 3    461334 3      C-13-H3C(O)CH3
  558084.6413  0.0045 -5.6778 3  489.1216380 -595161404471335 3    461234 3      C-13-H3C(O)CH3
  558084.6413  0.0052 -3.7364 3  489.1516760 -595161404471335 1    461334 1      C-13-H3C(O)CH3
  558084.6413  0.0052 -3.9418 3  489.1516760 -595161404471335 1    461234 1      C-13-H3C(O)CH3
  558084.6413  0.0045 -4.0776 3  489.1215380 -595161404471235 4    461234 4      C-13-H3C(O)CH3
  558084.6413  0.0045 -4.1852 3  489.1215380 -595161404471235 4    461334 4      C-13-H3C(O)CH3
  558084.6413  0.0052 -3.7364 3  489.1516760 -595161404471235 1    461234 1      C-13-H3C(O)CH3
  558084.6413  0.0045 -5.6778 3  489.1216380 -595161404471235 3    461334 3      C-13-H3C(O)CH3
  558084.6413  0.0052 -3.9418 3  489.1516760 -595161404471235 1    461334 1      C-13-H3C(O)CH3
  558086.3251  0.0035 -4.3526 3  489.1808760 -595161404471235 0    461334 0      C-13-H3C(O)CH3
  558086.3251  0.0052 -3.6846 3  489.1508760 -595161404471235 2    461334 2      C-13-H3C(O)CH3
  558086.3251  0.0035 -4.3526 3  489.1808760 -595161404471335 0    461234 0      C-13-H3C(O)CH3
  558086.3251  0.0035 -3.5963 3  489.1808760 -595161404471335 0    461334 0      C-13-H3C(O)CH3
  558086.3251  0.0052 -4.0406 3  489.1508760 -595161404471335 2    461334 2      C-13-H3C(O)CH3
  558086.3251  0.0052 -3.6846 3  489.1508760 -595161404471335 2    461234 2      C-13-H3C(O)CH3
  558086.3251  0.0052 -4.0406 3  489.1508760 -595161404471235 2    461234 2      C-13-H3C(O)CH3
  558086.3251  0.0035 -3.5963 3  489.1808760 -595161404471235 0    461234 0      C-13-H3C(O)CH3
  558101.0411  0.0171 -6.0340 3  119.3007344  5951614042117 5 1    2014 6 1      C-13-H3C(O)CH3
  558128.0309  0.0526 -5.4589 3  665.9104792  595161404493217 1    483316 1      C-13-H3C(O)CH3
  558190.9116  0.0575 -5.5652 3  665.9168792  595161404493217 2    483316 2      C-13-H3C(O)CH3
  558273.5667  0.0091 -6.3001 3  298.8735568  595161404351421 2    351124 2      C-13-H3C(O)CH3
  558273.5857  0.0091 -6.3001 3  298.8735568  595161404351521 2    351224 2      C-13-H3C(O)CH3
  558300.3068  0.0092 -6.2982 3  298.8750568  595161404351421 1    351124 1      C-13-H3C(O)CH3
  558300.3247  0.0092 -6.2982 3  298.8750568  595161404351521 1    351224 1      C-13-H3C(O)CH3
  558304.6277  0.0030 -3.7108 3  528.8036444 -59516140455 352 4    54 351 4      C-13-H3C(O)CH3
  558304.6277  0.0030 -3.8910 3  528.8035444 -59516140455 352 3    54 351 3      C-13-H3C(O)CH3
  558304.6277  0.0030 -4.1755 3  528.8035444 -59516140455 452 3    54 351 3      C-13-H3C(O)CH3
  558304.6277  0.0030 -6.1861 3  528.8036444 -59516140455 452 4    54 351 4      C-13-H3C(O)CH3
  558304.6437  0.0030 -3.7108 3  528.8036444  59516140455 452 4    54 451 4      C-13-H3C(O)CH3
  558304.6437  0.0030 -6.1861 3  528.8036444  59516140455 352 4    54 451 4      C-13-H3C(O)CH3
  558304.6565  0.0030 -3.8910 3  528.8035444  59516140455 452 3    54 451 3      C-13-H3C(O)CH3
  558304.6565  0.0030 -4.1755 3  528.8035444  59516140455 352 3    54 451 3      C-13-H3C(O)CH3
  558334.8131  0.0043 -4.1378 3  528.8016888  59516140455 352 1    54 451 1      C-13-H3C(O)CH3
  558334.8131  0.0043 -3.4979 3  528.8016888  59516140455 452 1    54 451 1      C-13-H3C(O)CH3
  558334.8719  0.0042 -3.4181 3  528.8012888 -59516140455 352 2    54 351 2      C-13-H3C(O)CH3
  558334.8719  0.0042 -5.0570 3  528.8012888 -59516140455 452 2    54 351 2      C-13-H3C(O)CH3
  558334.8719  0.0043 -3.4979 3  528.8016888 -59516140455 352 1    54 351 1      C-13-H3C(O)CH3
  558334.8719  0.0043 -4.1378 3  528.8016888 -59516140455 452 1    54 351 1      C-13-H3C(O)CH3
  558334.9046  0.0042 -5.0570 3  528.8012888  59516140455 352 2    54 451 2      C-13-H3C(O)CH3
  558334.9046  0.0042 -3.4181 3  528.8012888  59516140455 452 2    54 451 2      C-13-H3C(O)CH3
  558356.1748  0.1546 -5.6908 3 1368.0733D04  595161404811666 0    811467 0      C-13-H3C(O)CH3
  558356.1748  0.1546 -5.6908 3 1368.0733D04  595161404811566 0    811567 0      C-13-H3C(O)CH3
  558356.9498  0.0055 -4.3557 3  171.6650212  595161404261512 4    251213 4      C-13-H3C(O)CH3
  558361.0128  0.0045 -4.3558 3  171.6650212  595161404261512 3    251213 3      C-13-H3C(O)CH3
  558364.9688  0.0032 -3.4091 3  528.7994888 -59516140455 452 0    54 351 0      C-13-H3C(O)CH3
  558364.9688  0.0032 -3.4091 3  528.7994888 -59516140455 352 0    54 451 0      C-13-H3C(O)CH3
  558365.0058  0.0032 -6.1359 3  528.7994888  59516140455 352 0    54 351 0      C-13-H3C(O)CH3
  558365.0058  0.0032 -6.1359 3  528.7994888  59516140455 452 0    54 451 0      C-13-H3C(O)CH3
  558395.6490  0.0114 -4.7086 3  152.4892392  5951614042417 8 0    2314 9 0      C-13-H3C(O)CH3
  558396.2618  0.0081 -6.2986 3  298.8957568  595161404351421 0    351124 0      C-13-H3C(O)CH3
  558396.2794  0.0081 -6.2986 3  298.8957568  595161404351521 0    351224 0      C-13-H3C(O)CH3
  558429.4094  0.0432 -6.2911 3  665.9597776  595161404483612 2    483315 2      C-13-H3C(O)CH3
  558467.4792  0.1893 -6.1597 3 1368.0804D04  595161404811566 1    811567 1      C-13-H3C(O)CH3
  558467.4792  0.1893 -5.7734 3 1368.0804D04  595161404811566 1    811467 1      C-13-H3C(O)CH3
  558467.4792  0.1893 -6.1597 3 1368.0804D04  595161404811666 1    811467 1      C-13-H3C(O)CH3
  558467.4792  0.1893 -5.7734 3 1368.0804D04  595161404811666 1    811567 1      C-13-H3C(O)CH3
  558471.8738  0.1892 -5.6258 3 1368.0804D04  595161404811566 2    811467 2      C-13-H3C(O)CH3
  558471.8738  0.1892 -5.6258 3 1368.0804D04  595161404811666 2    811567 2      C-13-H3C(O)CH3
  558477.7918  0.0044 -4.0547 3  171.6658424  595161404261512 2    251213 2      C-13-H3C(O)CH3
  558505.2644  0.0044 -4.0546 3  171.6699424  595161404261512 1    251213 1      C-13-H3C(O)CH3
  558549.3246  0.0482 -6.2910 3  665.9434776  595161404483612 1    483315 1      C-13-H3C(O)CH3
  558575.1630  0.0475 -6.2916 3  665.9168776  595161404483612 0    483315 0      C-13-H3C(O)CH3
  558583.3341  0.1136 -5.9313 3 1368.0875652  595161404811666 3    811467 3      C-13-H3C(O)CH3
  558583.3341  0.1136 -5.9313 3 1368.0875652  595161404811566 3    811567 3      C-13-H3C(O)CH3
  558583.5513  0.1137 -5.9268 3 1368.0875652  595161404811666 4    811467 4      C-13-H3C(O)CH3
  558583.5513  0.1137 -5.9268 3 1368.0875652  595161404811566 4    811567 4      C-13-H3C(O)CH3
  558591.1154  0.0164 -5.9443 3  119.2983344  5951614042117 5 2    2014 6 2      C-13-H3C(O)CH3
  558597.3783  0.3549 -6.2362 3 1002.8283984  595161404613428 2    603525 2      C-13-H3C(O)CH3
  558623.3131  0.0046 -4.0545 3  171.6707424  595161404261512 0    251213 0      C-13-H3C(O)CH3
  558626.5978  0.2309 -6.4379 3 1044.9539984  595161404614121 0    613824 0      C-13-H3C(O)CH3
  558641.0620  0.2390 -6.2360 3 1002.8252984  595161404613428 1    603525 1      C-13-H3C(O)CH3
  558669.7536  0.0474 -6.2915 3  665.9136776  595161404483613 0    483316 0      C-13-H3C(O)CH3
  558715.9553  0.0187 -5.9430 3  119.2962172  5951614042117 5 3    2014 6 3      C-13-H3C(O)CH3
  558736.1939  0.0137 -5.2558 3  152.5042392  5951614042417 7 1    2314 9 1      C-13-H3C(O)CH3
  558798.9623  0.0498 -6.2922 3  665.9104776  595161404483613 1    483316 1      C-13-H3C(O)CH3
  558854.6935  0.0178 -5.4339 3  152.5075196  5951614042417 7 4    2314 9 4      C-13-H3C(O)CH3
  558876.5536  0.1364 -5.8643 3 1319.4582C88  595161404801466 0    801467 0      C-13-H3C(O)CH3
  558876.5536  0.1364 -5.8389 3 1319.4582C88  595161404801466 0    801367 0      C-13-H3C(O)CH3
  558876.5536  0.1364 -5.8643 3 1319.4582C88  595161404801566 0    801367 0      C-13-H3C(O)CH3
  558876.5536  0.1364 -5.8389 3 1319.4582C88  595161404801566 0    801467 0      C-13-H3C(O)CH3
  558911.5380  0.0153 -5.8150 3  119.2962172  5951614042117 4 3    2014 6 3      C-13-H3C(O)CH3
  558954.8814  0.0787 -6.1443 3  665.9121396  595161404493217 4    483316 4      C-13-H3C(O)CH3
  559003.4386  0.0609 -5.4454 3  731.2989840  595161404523023 0    513120 0      C-13-H3C(O)CH3
  559007.4245  0.1658 -5.5661 3 1319.4598C88  595161404801566 1    801367 1      C-13-H3C(O)CH3
  559007.4245  0.1658 -5.5661 3 1319.4598C88  595161404801466 1    801467 1      C-13-H3C(O)CH3
  559010.2536  0.1664 -5.5907 3 1319.4596C88  595161404801566 2    801367 2      C-13-H3C(O)CH3
  559010.2536  0.1664 -5.5907 3 1319.4596C88  595161404801466 2    801467 2      C-13-H3C(O)CH3
  559057.8894  0.0134 -5.3642 3  152.4921392  5951614042417 7 2    2314 9 2      C-13-H3C(O)CH3
  559085.7445  0.0482 -6.2938 3  665.9168776  595161404483613 2    483316 2      C-13-H3C(O)CH3
  559111.4639  0.0043 -3.9149 3  497.7780388  595161404481137 4    471236 4      C-13-H3C(O)CH3
  559111.4696  0.0043 -5.1210 3  497.7780388 -595161404481237 3    471236 3      C-13-H3C(O)CH3
  559111.4696  0.0043 -3.9149 3  497.7780388 -595161404481237 4    471136 4      C-13-H3C(O)CH3
  559111.4696  0.0043 -3.8369 3  497.7780388 -595161404481237 3    471136 3      C-13-H3C(O)CH3
  559111.4696  0.0043 -4.5017 3  497.7780388 -595161404481137 4    471136 4      C-13-H3C(O)CH3
  559111.4696  0.0043 -3.8369 3  497.7780388 -595161404481137 3    471236 3      C-13-H3C(O)CH3
  559111.4696  0.0043 -5.1210 3  497.7780388 -595161404481137 3    471136 3      C-13-H3C(O)CH3
  559111.4696  0.0043 -4.5017 3  497.7780388 -595161404481237 4    471236 4      C-13-H3C(O)CH3
  559115.0064  0.0054 -3.8683 3  497.8081776 -595161404481237 1    471136 1      C-13-H3C(O)CH3
  559115.0064  0.0054 -3.7674 3  497.8081776 -595161404481137 1    471136 1      C-13-H3C(O)CH3
  559115.0064  0.0054 -3.7674 3  497.8081776 -595161404481237 1    471236 1      C-13-H3C(O)CH3
  559115.0064  0.0054 -3.8683 3  497.8081776 -595161404481137 1    471236 1      C-13-H3C(O)CH3
  559116.4638  0.0054 -4.8528 3  497.8075776 -595161404481137 2    471236 2      C-13-H3C(O)CH3
  559116.4638  0.0054 -4.8528 3  497.8075776 -595161404481237 2    471136 2      C-13-H3C(O)CH3
  559116.4638  0.0054 -3.5343 3  497.8075776 -595161404481137 2    471136 2      C-13-H3C(O)CH3
  559116.4638  0.0054 -3.5343 3  497.8075776 -595161404481237 2    471236 2      C-13-H3C(O)CH3
  559119.9191  0.0035 -4.1356 3  497.8375776 -595161404481137 0    471136 0      C-13-H3C(O)CH3
  559119.9191  0.0035 -4.1356 3  497.8375776 -595161404481237 0    471236 0      C-13-H3C(O)CH3
  559119.9191  0.0035 -3.6326 3  497.8375776 -595161404481237 0    471136 0      C-13-H3C(O)CH3
  559119.9191  0.0035 -3.6326 3  497.8375776 -595161404481137 0    471236 0      C-13-H3C(O)CH3
  559141.2898  0.1048 -5.9728 3 1319.4612644  595161404801566 3    801467 3      C-13-H3C(O)CH3
  559141.2898  0.1048 -5.9728 3 1319.4612644  595161404801466 3    801367 3      C-13-H3C(O)CH3
  559141.5250  0.1048 -5.8910 3 1319.4612644  595161404801566 4    801467 4      C-13-H3C(O)CH3
  559141.5250  0.1048 -5.8910 3 1319.4612644  595161404801466 4    801367 4      C-13-H3C(O)CH3
  559257.0479  0.0782 -6.3231 3 1082.0947968  595161404604912 1    595010 1      C-13-H3C(O)CH3
  559302.6449  0.0069 -3.8292 3  261.0033252  595161404312110 3    302011 3      C-13-H3C(O)CH3
  559303.2188  0.0031 -3.5071 3  261.0255504  595161404312110 2    302011 2      C-13-H3C(O)CH3
  559322.2351  0.0031 -3.5068 3  261.0446504  595161404312110 0    302011 0      C-13-H3C(O)CH3
  559340.0586  0.0050 -3.5335 3  261.0222504  595161404312110 1    302011 1      C-13-H3C(O)CH3
  559341.7217  0.0082 -3.8418 3  261.0023252  595161404312110 4    302011 4      C-13-H3C(O)CH3
  559386.7296  0.1162 -5.4801 3 1271.4207C72  595161404791366 0    791367 0      C-13-H3C(O)CH3
  559386.7296  0.1162 -5.4801 3 1271.4207C72  595161404791466 0    791267 0      C-13-H3C(O)CH3
  559393.6396  0.0686 -6.3229 3 1082.0839968  595161404604912 0    5950 9 0      C-13-H3C(O)CH3
  559393.6396  0.0686 -6.3229 3 1082.0839968  595161404604911 0    595010 0      C-13-H3C(O)CH3
  559421.9946  0.0867 -6.3235 3 1082.0821968  595161404604912 2    595010 2      C-13-H3C(O)CH3
  559431.6192  0.0577 -5.4398 3  731.2805840  595161404523023 1    513120 1      C-13-H3C(O)CH3
  559444.6895  0.0032 -5.1078 3  532.5508452  59516140456 354 3    55 353 3      C-13-H3C(O)CH3
  559444.6895  0.0032 -3.7140 3  532.5508452  59516140456 254 3    55 353 3      C-13-H3C(O)CH3
  559444.6961  0.0032 -3.7326 3  532.5509452  59516140456 254 4    55 353 4      C-13-H3C(O)CH3
  559444.6961  0.0032 -4.7983 3  532.5509452  59516140456 354 4    55 353 4      C-13-H3C(O)CH3
  559444.7190  0.0032 -3.7326 3  532.5509452 -59516140456 354 4    55 253 4      C-13-H3C(O)CH3
  559444.7190  0.0032 -4.7983 3  532.5509452 -59516140456 254 4    55 253 4      C-13-H3C(O)CH3
  559444.7190  0.0032 -3.7140 3  532.5508452 -59516140456 354 3    55 253 3      C-13-H3C(O)CH3
  559444.7190  0.0032 -5.1078 3  532.5508452 -59516140456 254 3    55 253 3      C-13-H3C(O)CH3
  559466.5320  0.0814 -6.3233 3 1082.1099968  595161404604911 1    5950 9 1      C-13-H3C(O)CH3
  559471.4408  0.0046 -3.4280 3  532.5341904 -59516140456 254 1    55 353 1      C-13-H3C(O)CH3
  559471.4408  0.0044 -3.4115 3  532.5337904 -59516140456 254 2    55 353 2      C-13-H3C(O)CH3
  559471.4408  0.0044 -4.8434 3  532.5337904 -59516140456 354 2    55 353 2      C-13-H3C(O)CH3
  559471.4408  0.0046 -4.5408 3  532.5341904 -59516140456 354 1    55 353 1      C-13-H3C(O)CH3
  559471.4787  0.0046 -4.5408 3  532.5341904  59516140456 254 1    55 253 1      C-13-H3C(O)CH3
  559471.4787  0.0046 -3.4280 3  532.5341904  59516140456 354 1    55 253 1      C-13-H3C(O)CH3
  559471.4848  0.0044 -3.4115 3  532.5337904  59516140456 354 2    55 253 2      C-13-H3C(O)CH3
  559471.4848  0.0044 -4.8434 3  532.5337904  59516140456 254 2    55 253 2      C-13-H3C(O)CH3
  559498.1713  0.0033 -5.2636 3  532.5170904 -59516140456 354 0    55 353 0      C-13-H3C(O)CH3
  559498.1713  0.0033 -3.4016 3  532.5170904 -59516140456 354 0    55 253 0      C-13-H3C(O)CH3
  559498.1713  0.0033 -5.2636 3  532.5170904 -59516140456 254 0    55 253 0      C-13-H3C(O)CH3
  559498.1713  0.0033 -3.4016 3  532.5170904 -59516140456 254 0    55 353 0      C-13-H3C(O)CH3
  559505.7781  0.1080 -5.9790 3  695.5218808  595161404503318 2    493415 2      C-13-H3C(O)CH3
  559533.0973  0.1388 -5.5943 3 1271.4162C72  595161404791466 1    791267 1      C-13-H3C(O)CH3
  559533.0973  0.1388 -5.5943 3 1271.4162C72  595161404791366 1    791367 1      C-13-H3C(O)CH3
  559533.0973  0.1388 -6.1143 3 1271.4162C72  595161404791366 1    791267 1      C-13-H3C(O)CH3
  559533.0973  0.1388 -6.1143 3 1271.4162C72  595161404791466 1    791367 1      C-13-H3C(O)CH3
  559534.5349  0.1396 -5.5924 3 1271.4161C72  595161404791366 2    791267 2      C-13-H3C(O)CH3
  559534.5349  0.1396 -6.1207 3 1271.4161C72  595161404791466 2    791267 2      C-13-H3C(O)CH3
  559534.5349  0.1396 -5.5924 3 1271.4161C72  595161404791466 2    791367 2      C-13-H3C(O)CH3
  559534.5349  0.1396 -6.1207 3 1271.4161C72  595161404791366 2    791367 2      C-13-H3C(O)CH3
  559558.5327  0.2311 -6.4237 3 1088.1353A16  595161404633826 0    633529 0      C-13-H3C(O)CH3
  559584.9796  0.0433 -5.7119 3  910.2241904  595161404564215 0    554312 0      C-13-H3C(O)CH3
  559584.9853  0.0433 -5.7119 3  910.2241904  595161404564214 0    554313 0      C-13-H3C(O)CH3
  559594.2455  0.1796 -6.4237 3 1088.1483A16  595161404633826 2    633529 2      C-13-H3C(O)CH3
  559610.3617  0.0989 -5.4375 3  731.2728840  595161404523023 2    513120 2      C-13-H3C(O)CH3
  559640.6163  0.2241 -6.4237 3 1088.1460A16  595161404633826 1    633529 1      C-13-H3C(O)CH3
  559668.4423  0.0838 -6.3234 3 1082.1079968  595161404604911 2    5950 9 2      C-13-H3C(O)CH3
  559681.0703  0.0956 -5.7957 3 1271.4116636  595161404791366 3    791367 3      C-13-H3C(O)CH3
  559681.0703  0.0956 -5.7957 3 1271.4116636  595161404791466 3    791267 3      C-13-H3C(O)CH3
  559681.3119  0.0956 -6.4088 3 1271.4115636  595161404791466 4    791367 4      C-13-H3C(O)CH3
  559681.3119  0.0956 -6.4088 3 1271.4115636  595161404791366 4    791267 4      C-13-H3C(O)CH3
  559681.3119  0.0956 -5.8970 3 1271.4115636  595161404791366 4    791367 4      C-13-H3C(O)CH3
  559681.3119  0.0956 -5.8970 3 1271.4115636  595161404791466 4    791267 4      C-13-H3C(O)CH3
  559729.6564  0.0477 -5.7120 3  910.2500904  595161404564215 1    554313 1      C-13-H3C(O)CH3
  559752.9106  0.0491 -5.7118 3  910.2646904  595161404564214 2    554312 2      C-13-H3C(O)CH3
  559761.5699  0.0451 -5.7119 3  910.2520904  595161404564214 1    554312 1      C-13-H3C(O)CH3
  559782.8366  0.0145 -5.6136 3  119.3254172  5951614042117 4 4    2014 6 4      C-13-H3C(O)CH3
  559877.4707  0.1422 -6.3212 3  888.1799904  595161404563918 0    563621 0      C-13-H3C(O)CH3
  559885.0037  0.0477 -5.7120 3  910.2514904  595161404564215 2    554313 2      C-13-H3C(O)CH3
  559889.5874  0.0952 -5.4305 3 1223.9615C56  595161404781266 0    781267 0      C-13-H3C(O)CH3
  559889.5874  0.0952 -5.4134 3 1223.9615C56  595161404781366 0    781167 0      C-13-H3C(O)CH3
  559897.6489  0.0623 -6.0129 3  910.2905452  595161404564214 3    554312 3      C-13-H3C(O)CH3
  559916.3407  0.0785 -5.8153 3  695.5060808  595161404503318 1    493415 1      C-13-H3C(O)CH3
  559929.7078  0.0603 -6.0129 3  910.2925452  595161404564214 4    554312 4      C-13-H3C(O)CH3
  560009.2929  0.0125 -5.6042 3  119.1949172  5951614042117 5 4    2014 7 4      C-13-H3C(O)CH3
  560013.9249  0.0956 -5.7332 3  731.2552420  595161404523023 4    513120 4      C-13-H3C(O)CH3
  560031.3623  0.0652 -6.0132 3  910.2772452  595161404564215 4    554313 4      C-13-H3C(O)CH3
  560038.8175  0.0112 -5.3576 3  119.3007344  5951614042117 4 1    2014 6 1      C-13-H3C(O)CH3
  560045.4513  0.1105 -5.4640 3 1223.9507C56  595161404781266 1    781167 1      C-13-H3C(O)CH3
  560045.4513  0.1105 -6.3691 3 1223.9507C56  595161404781266 1    781267 1      C-13-H3C(O)CH3
  560045.4513  0.1105 -5.4640 3 1223.9507C56  595161404781366 1    781267 1      C-13-H3C(O)CH3
  560045.4513  0.1105 -6.3691 3 1223.9507C56  595161404781366 1    781167 1      C-13-H3C(O)CH3
  560045.7749  0.1112 -5.4168 3 1223.9505C56  595161404781366 2    781267 2      C-13-H3C(O)CH3
  560045.7749  0.1112 -5.4168 3 1223.9505C56  595161404781266 2    781167 2      C-13-H3C(O)CH3
  560049.4109  0.1009 -5.7328 3  731.2541420  595161404523023 3    513120 3      C-13-H3C(O)CH3
  560062.1625  0.0597 -6.0131 3  910.2793452  595161404564215 3    554313 3      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.6949 3  505.8839396 -595161404491139 4    481138 4      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.0690 3  505.8840396 -595161404491139 3    481138 3      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.1428 3  505.8840396 -595161404491139 3    481038 3      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.6949 3  505.8839396 -595161404491039 4    481038 4      C-13-H3C(O)CH3
  560161.8495  0.0041 -3.8630 3  505.8839396 -595161404491039 4    481138 4      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.0690 3  505.8840396 -595161404491039 3    481038 3      C-13-H3C(O)CH3
  560161.8495  0.0041 -4.1428 3  505.8840396 -595161404491039 3    481138 3      C-13-H3C(O)CH3
  560161.8495  0.0041 -3.8630 3  505.8839396 -595161404491139 4    481038 4      C-13-H3C(O)CH3
  560169.3697  0.0055 -5.1353 3  505.9139792  595161404491139 1    481138 1      C-13-H3C(O)CH3
  560169.4199  0.0055 -3.5126 3  505.9139792 -595161404491139 1    481038 1      C-13-H3C(O)CH3
  560169.4199  0.0055 -3.5126 3  505.9139792 -595161404491039 1    481138 1      C-13-H3C(O)CH3
  560169.4199  0.0055 -5.1353 3  505.9139792 -595161404491039 1    481038 1      C-13-H3C(O)CH3
  560170.5345  0.0055 -3.5487 3  505.9133792 -595161404491139 2    481038 2      C-13-H3C(O)CH3
  560170.5345  0.0055 -3.5487 3  505.9133792 -595161404491039 2    481138 2      C-13-H3C(O)CH3
  560170.5345  0.0055 -4.4972 3  505.9133792 -595161404491139 2    481138 2      C-13-H3C(O)CH3
  560170.5345  0.0055 -4.4972 3  505.9133792 -595161404491039 2    481038 2      C-13-H3C(O)CH3
  560177.8114  0.0035 -3.5659 3  505.9432792 -595161404491139 0    481138 0      C-13-H3C(O)CH3
  560177.8114  0.0035 -3.5025 3  505.9432792 -595161404491039 0    481038 0      C-13-H3C(O)CH3
  560177.8114  0.0035 -4.3687 3  505.9432792 -595161404491139 0    481038 0      C-13-H3C(O)CH3
  560201.8008  0.0864 -5.7157 3 1223.9396628  595161404781266 3    781267 3      C-13-H3C(O)CH3
  560201.8008  0.0864 -5.7157 3 1223.9396628  595161404781366 3    781167 3      C-13-H3C(O)CH3
  560202.0310  0.0864 -5.8925 3 1223.9396628  595161404781266 4    781167 4      C-13-H3C(O)CH3
  560202.0310  0.0864 -5.8925 3 1223.9396628  595161404781366 4    781267 4      C-13-H3C(O)CH3
  560202.0310  0.0864 -6.1858 3 1223.9396628  595161404781266 4    781267 4      C-13-H3C(O)CH3
  560202.0310  0.0864 -6.1858 3 1223.9396628  595161404781366 4    781167 4      C-13-H3C(O)CH3
  560227.0359  0.0205 -5.5409 3  140.7562188  5951614042317 7 4    2214 8 4      C-13-H3C(O)CH3
  560241.3388  0.0892 -5.7054 3  695.5223404  595161404503318 3    493415 3      C-13-H3C(O)CH3
  560264.0231  0.0100 -5.2763 3  119.2844344  5951614042117 5 0    2014 6 0      C-13-H3C(O)CH3
  560334.2617  0.0109 -5.3817 3  119.2983344  5951614042117 4 2    2014 6 2      C-13-H3C(O)CH3
  560351.8730  0.0076 -3.3997 3  251.2501228  5951614042828 1 4    2727 0 4      C-13-H3C(O)CH3
  560388.4132  0.0750 -5.4389 3 1177.0809C40  595161404771166 0    771067 0      C-13-H3C(O)CH3
  560388.4132  0.0750 -6.0877 3 1177.0809C40  595161404771266 0    771067 0      C-13-H3C(O)CH3
  560388.4132  0.0750 -6.0877 3 1177.0809C40  595161404771166 0    771167 0      C-13-H3C(O)CH3
  560388.4132  0.0750 -5.4389 3 1177.0809C40  595161404771266 0    771167 0      C-13-H3C(O)CH3
  560443.8796  0.0061 -3.0987 3  251.3260456 -5951614042828 0 2    2727 0 2      C-13-H3C(O)CH3
  560482.1862  0.0535 -5.5803 3  695.5143404  595161404503318 3    493416 3      C-13-H3C(O)CH3
  560499.2926  0.0064 -3.0986 3  251.3112456 -5951614042828 1 1    2727 1 1      C-13-H3C(O)CH3
  560545.1129  0.0848 -5.3613 3 1177.0636C40  595161404771266 2    771167 2      C-13-H3C(O)CH3
  560545.1129  0.0848 -5.3613 3 1177.0636C40  595161404771166 2    771067 2      C-13-H3C(O)CH3
  560545.5436  0.0847 -6.1999 3 1177.0638C40  595161404771266 1    771167 1      C-13-H3C(O)CH3
  560545.5436  0.0847 -5.4681 3 1177.0638C40  595161404771166 1    771067 1      C-13-H3C(O)CH3
  560545.5436  0.0847 -5.4168 3 1177.0638C40  595161404771166 1    771167 1      C-13-H3C(O)CH3
  560545.5436  0.0847 -5.9759 3 1177.0638C40  595161404771266 1    771067 1      C-13-H3C(O)CH3
  560569.5813  0.0123 -6.0488 3  481.6130696  595161404432122 0    431825 0      C-13-H3C(O)CH3
  560569.8792  0.0642 -5.3567 3  695.4832404  595161404503318 4    493416 4      C-13-H3C(O)CH3
  560572.8613  0.0082 -3.8998 3  276.5567260  595161404322112 3    312011 3      C-13-H3C(O)CH3
  560577.1954  0.0060 -3.5980 3  276.5775520  595161404322112 1    312011 1      C-13-H3C(O)CH3
  560581.7352  0.0123 -6.0488 3  481.6130696  595161404432222 0    431925 0      C-13-H3C(O)CH3
  560591.9630  0.0057 -3.0986 3  251.3872456 -5951614042828 1 0    2727 1 0      C-13-H3C(O)CH3
  560591.9630  0.0057 -3.0986 3  251.3872456 -5951614042828 0 0    2727 0 0      C-13-H3C(O)CH3
  560594.8569  0.0039 -4.8858 3  535.7654460  59516140457 156 3    56 255 3      C-13-H3C(O)CH3
  560594.8569  0.0039 -3.7121 3  535.7654460  59516140457 256 3    56 255 3      C-13-H3C(O)CH3
  560594.8719  0.0039 -4.1016 3  535.7655460  59516140457 156 4    56 155 4      C-13-H3C(O)CH3
  560594.8719  0.0039 -3.8931 3  535.7655460  59516140457 256 4    56 155 4      C-13-H3C(O)CH3
  560594.8871  0.0039 -3.7121 3  535.7654460 -59516140457 156 3    56 155 3      C-13-H3C(O)CH3
  560594.8871  0.0039 -3.7963 3  535.7655460 -59516140457 156 4    56 255 4      C-13-H3C(O)CH3
  560594.8871  0.0039 -4.3259 3  535.7655460 -59516140457 256 4    56 255 4      C-13-H3C(O)CH3
  560594.8871  0.0039 -4.8858 3  535.7654460 -59516140457 256 3    56 155 3      C-13-H3C(O)CH3
  560596.2540  0.0073 -3.8980 3  276.5562260  595161404322112 4    312011 4      C-13-H3C(O)CH3
  560612.5875  0.0074 -3.3993 3  251.2360228  5951614042828 1 3    2727 1 3      C-13-H3C(O)CH3
  560613.4808  0.0053 -3.4481 3  535.7283920 -59516140457 156 1    56 255 1      C-13-H3C(O)CH3
  560613.4808  0.0049 -3.8540 3  535.7279920 -59516140457 156 2    56 155 2      C-13-H3C(O)CH3
  560613.4808  0.0053 -4.2375 3  535.7283920 -59516140457 256 1    56 255 1      C-13-H3C(O)CH3
  560613.4808  0.0049 -3.5619 3  535.7279920 -59516140457 256 2    56 155 2      C-13-H3C(O)CH3
  560613.5576  0.0049 -3.5619 3  535.7279920  59516140457 156 2    56 255 2      C-13-H3C(O)CH3
  560613.5576  0.0049 -3.8540 3  535.7279920  59516140457 256 2    56 255 2      C-13-H3C(O)CH3
  560613.5577  0.0053 -4.2375 3  535.7283920  59516140457 156 1    56 155 1      C-13-H3C(O)CH3
  560613.5577  0.0053 -3.4481 3  535.7283920  59516140457 256 1    56 155 1      C-13-H3C(O)CH3
  560632.1680  0.0040 -3.4012 3  535.6908920 -59516140457 156 0    56 155 0      C-13-H3C(O)CH3
  560632.1680  0.0040 -4.7611 3  535.6908920 -59516140457 256 0    56 155 0      C-13-H3C(O)CH3
  560632.1680  0.0040 -4.7611 3  535.6908920 -59516140457 156 0    56 255 0      C-13-H3C(O)CH3
  560632.1680  0.0040 -3.4012 3  535.6908920 -59516140457 256 0    56 255 0      C-13-H3C(O)CH3
  560634.7919  0.0156 -6.0490 3  481.5864696  595161404432122 2    431825 2      C-13-H3C(O)CH3
  560642.9123  0.0073 -3.3993 3  251.2596228  5951614042828 0 3    2727 0 3      C-13-H3C(O)CH3
  560647.7550  0.0156 -6.0490 3  481.5864696  595161404432222 2    431925 2      C-13-H3C(O)CH3
  560667.6511  0.0134 -6.0479 3  481.5882696  595161404432122 1    431825 1      C-13-H3C(O)CH3
  560671.0006  0.0445 -5.0363 3  695.4750808  595161404503318 0    493415 0      C-13-H3C(O)CH3
  560676.2774  0.0233 -6.0472 3  641.1619792  595161404492623 0    492326 0      C-13-H3C(O)CH3
  560677.1943  0.0540 -5.0885 3  695.4827808  595161404503318 2    493416 2      C-13-H3C(O)CH3
  560680.2439  0.0134 -6.0479 3  481.5882696  595161404432222 1    431925 1      C-13-H3C(O)CH3
  560693.7540  0.0374 -6.0470 3  641.1482792  595161404492623 2    492326 2      C-13-H3C(O)CH3
  560702.3909  0.0777 -5.6537 3 1177.0464620  595161404771166 3    771167 3      C-13-H3C(O)CH3
  560702.3909  0.0777 -5.6543 3 1177.0464620  595161404771266 3    771067 3      C-13-H3C(O)CH3
  560702.5850  0.0777 -6.1107 3 1177.0464620  595161404771266 4    771167 4      C-13-H3C(O)CH3
  560702.5850  0.0777 -5.8365 3 1177.0464620  595161404771166 4    771167 4      C-13-H3C(O)CH3
  560702.5850  0.0777 -5.6625 3 1177.0464620  595161404771166 4    771067 4      C-13-H3C(O)CH3
  560705.1403  0.0058 -3.0982 3  251.3118456 -5951614042828 1 2    2727 1 2      C-13-H3C(O)CH3
  560714.5907  0.0088 -6.3721 3  277.8187552  595161404341321 2    341024 2      C-13-H3C(O)CH3
  560714.5958  0.0088 -6.3721 3  277.8187552  595161404341421 2    341124 2      C-13-H3C(O)CH3
  560728.8533  0.0249 -6.0464 3  641.1496792  595161404492623 1    492326 1      C-13-H3C(O)CH3
  560733.0915  0.0163 -6.3490 3  481.5615348  595161404432122 3    431825 3      C-13-H3C(O)CH3
  560733.2445  0.0164 -6.3490 3  481.5615348  595161404432122 4    431825 4      C-13-H3C(O)CH3
  560739.5879  0.0089 -6.3702 3  277.8200552  595161404341321 1    341024 1      C-13-H3C(O)CH3
  560739.5926  0.0089 -6.3702 3  277.8200552  595161404341421 1    341124 1      C-13-H3C(O)CH3
  560745.9764  0.0390 -6.3472 3  641.1359396  595161404492623 3    492326 3      C-13-H3C(O)CH3
  560746.5278  0.0163 -6.3489 3  481.5615348  595161404432222 3    431925 3      C-13-H3C(O)CH3
  560746.6048  0.0394 -6.3472 3  641.1359396  595161404492623 4    492326 4      C-13-H3C(O)CH3
  560746.6373  0.0163 -6.3489 3  481.5615348  595161404432222 4    431925 4      C-13-H3C(O)CH3
  560755.2771  0.0754 -6.4297 3  788.6344436  595161404543124 4    542827 4      C-13-H3C(O)CH3
  560757.4220  0.0746 -6.4297 3  788.6344436  595161404543124 3    542827 3      C-13-H3C(O)CH3
  560763.1087  0.0721 -6.1292 3  788.6349872  595161404543124 2    542827 2      C-13-H3C(O)CH3
  560782.1393  0.0585 -6.1289 3  788.6352872  595161404543124 1    542827 1      C-13-H3C(O)CH3
  560785.4268  0.0049 -3.5952 3  276.5927520  595161404322112 0    312011 0      C-13-H3C(O)CH3
  560789.9011  0.0548 -6.1296 3  788.6357872  595161404543124 0    542827 0      C-13-H3C(O)CH3
  560790.9439  0.0060 -3.0981 3  251.3206456 -5951614042828 0 1    2727 0 1      C-13-H3C(O)CH3
  560796.0250  0.0055 -3.5950 3  276.5717520  595161404322112 2    312011 2      C-13-H3C(O)CH3
  560833.4805  0.0212 -5.8847 3  129.6799180  5951614042217 6 4    2114 7 4      C-13-H3C(O)CH3
  560849.8776  0.0441 -5.1151 3  695.4748808  595161404503318 1    493416 1      C-13-H3C(O)CH3
  560868.9253  0.0154 -5.8145 3  119.2244172  5951614042117 5 3    2014 7 3      C-13-H3C(O)CH3
  560878.9539  0.0102 -5.3529 3  119.2081344  5951614042117 5 1    2014 7 1      C-13-H3C(O)CH3
  560886.9088  0.0079 -6.3705 3  277.8371552  595161404341321 0    341024 0      C-13-H3C(O)CH3
  560886.9135  0.0079 -6.3704 3  277.8371552  595161404341421 0    341124 0      C-13-H3C(O)CH3
  560886.9184  0.0578 -5.2960 3 1130.7793C24  595161404761166 0    761067 0      C-13-H3C(O)CH3
  560886.9184  0.0578 -5.2960 3 1130.7793C24  595161404761066 0    76 967 0      C-13-H3C(O)CH3
  560903.4843  0.0077 -3.3988 3  251.2454228  5951614042828 0 4    2727 1 4      C-13-H3C(O)CH3
  560948.8109  0.0090 -3.6972 3  292.7725536  595161404332113 1    322012 1      C-13-H3C(O)CH3
  561001.2831  0.0123 -3.9980 3  292.7483268  595161404332113 3    322012 3      C-13-H3C(O)CH3
  561009.0526  0.0062 -4.6096 3  130.4872196  59516140424 915 4    23 816 4      C-13-H3C(O)CH3
  561009.1067  0.0046 -4.6096 3  130.4871196  59516140424 915 3    23 816 3      C-13-H3C(O)CH3
  561009.4023  0.0062 -4.6096 3  130.4872196  595161404241015 4    23 716 4      C-13-H3C(O)CH3
  561009.4593  0.0046 -4.6096 3  130.4871196  595161404241015 3    23 716 3      C-13-H3C(O)CH3
  561023.9498  0.0106 -3.9974 3  292.7476268  595161404332113 4    322012 4      C-13-H3C(O)CH3
  561033.7719  0.0665 -5.3963 3 1130.7561C24  595161404761066 2    761067 2      C-13-H3C(O)CH3
  561033.7719  0.0665 -5.9669 3 1130.7561C24  595161404761066 2    76 967 2      C-13-H3C(O)CH3
  561033.7719  0.0665 -5.3963 3 1130.7561C24  595161404761166 2    76 967 2      C-13-H3C(O)CH3
  561033.7719  0.0665 -5.9669 3 1130.7561C24  595161404761166 2    761067 2      C-13-H3C(O)CH3
  561034.5457  0.0674 -5.3029 3 1130.7563C24  595161404761166 1    76 967 1      C-13-H3C(O)CH3
  561034.5457  0.0674 -5.3029 3 1130.7563C24  595161404761066 1    761067 1      C-13-H3C(O)CH3
  561035.1121  0.0228 -6.0468 3  641.1619792  595161404492723 0    492426 0      C-13-H3C(O)CH3
  561064.5080  0.0174 -5.9413 3  119.2244172  5951614042117 4 3    2014 7 3      C-13-H3C(O)CH3
  561072.0862  0.0350 -6.0466 3  641.1483792  595161404492723 2    492426 2      C-13-H3C(O)CH3
  561102.1270  0.0251 -6.0459 3  641.1496792  595161404492723 1    492426 1      C-13-H3C(O)CH3
  561117.3854  0.0102 -5.3765 3  119.2140344  5951614042117 5 2    2014 7 2      C-13-H3C(O)CH3
  561139.4620  0.0371 -6.3467 3  641.1359396  595161404492723 4    492426 4      C-13-H3C(O)CH3
  561139.6381  0.0367 -6.3467 3  641.1359396  595161404492723 3    492426 3      C-13-H3C(O)CH3
  561159.3489  0.0671 -6.1348 3 1035.1139952  595161404594713 1    584811 1      C-13-H3C(O)CH3
  561181.5237  0.0697 -5.6586 3 1130.7331612  595161404761066 3    76 967 3      C-13-H3C(O)CH3
  561181.5237  0.0697 -6.4508 3 1130.7331612  595161404761066 3    761067 3      C-13-H3C(O)CH3
  561181.5237  0.0697 -5.6071 3 1130.7331612  595161404761166 3    76 967 3      C-13-H3C(O)CH3
  561181.6499  0.0697 -5.6063 3 1130.7330612  595161404761166 4    76 967 4      C-13-H3C(O)CH3
  561181.6499  0.0697 -5.6063 3 1130.7330612  595161404761066 4    761067 4      C-13-H3C(O)CH3
  561195.3414  0.0077 -3.6960 3  292.7848536  595161404332113 0    322012 0      C-13-H3C(O)CH3
  561204.2710  0.0520 -6.1345 3 1035.1001952  595161404594712 0    584810 0      C-13-H3C(O)CH3
  561204.2710  0.0520 -6.1345 3 1035.1001952  595161404594713 0    584811 0      C-13-H3C(O)CH3
  561230.4053  0.0039 -3.8165 3  513.4426404  595161404501041 4    491040 4      C-13-H3C(O)CH3
  561230.4053  0.0039 -5.0549 3  513.4426404  59516140450 941 4    491040 4      C-13-H3C(O)CH3
  561230.4053  0.0039 -5.0549 3  513.4426404  595161404501041 4    49 940 4      C-13-H3C(O)CH3
  561230.4053  0.0039 -3.8165 3  513.4426404  59516140450 941 4    49 940 4      C-13-H3C(O)CH3
  561230.4660  0.0039 -3.8785 3  513.4427404  59516140450 941 3    491040 3      C-13-H3C(O)CH3
  561230.4660  0.0039 -3.8785 3  513.4427404  595161404501041 3    49 940 3      C-13-H3C(O)CH3
  561230.4660  0.0039 -4.5363 3  513.4427404  595161404501041 3    491040 3      C-13-H3C(O)CH3
  561230.4660  0.0039 -4.5363 3  513.4427404  59516140450 941 3    49 940 3      C-13-H3C(O)CH3
  561242.1215  0.0056 -3.5603 3  513.4720808  59516140450 941 1    49 940 1      C-13-H3C(O)CH3
  561242.1215  0.0056 -4.3231 3  513.4720808  595161404501041 1    49 940 1      C-13-H3C(O)CH3
  561242.1215  0.0056 -3.5603 3  513.4720808  595161404501041 1    491040 1      C-13-H3C(O)CH3
  561242.1215  0.0056 -4.3231 3  513.4720808  59516140450 941 1    491040 1      C-13-H3C(O)CH3
  561242.9961  0.0055 -3.5195 3  513.4715808  595161404501041 2    49 940 2      C-13-H3C(O)CH3
  561242.9961  0.0055 -4.6909 3  513.4715808  59516140450 941 2    49 940 2      C-13-H3C(O)CH3
  561242.9961  0.0055 -4.6909 3  513.4715808  595161404501041 2    491040 2      C-13-H3C(O)CH3
  561242.9961  0.0055 -3.5195 3  513.4715808  59516140450 941 2    491040 2      C-13-H3C(O)CH3
  561247.0602  0.0481 -6.3741 3  613.1281760  595161404473116 0    472621 0      C-13-H3C(O)CH3
  561254.6120  0.0035 -3.4972 3  513.5008808 -595161404501041 0    49 940 0      C-13-H3C(O)CH3
  561254.6120  0.0035 -3.4972 3  513.5008808 -59516140450 941 0    491040 0      C-13-H3C(O)CH3
  561254.6120  0.0035 -5.3575 3  513.5008808 -595161404501041 0    491040 0      C-13-H3C(O)CH3
  561254.6120  0.0035 -5.3575 3  513.5008808 -59516140450 941 0    49 940 0      C-13-H3C(O)CH3
  561263.6600  0.0089 -3.6954 3  292.7603536  595161404332113 2    322012 2      C-13-H3C(O)CH3
  561291.1750  0.0045 -4.3080 3  130.4710392  59516140424 915 2    23 816 2      C-13-H3C(O)CH3
  561291.5397  0.0045 -4.3080 3  130.4710392  595161404241015 2    23 716 2      C-13-H3C(O)CH3
  561306.0380  0.0887 -6.4363 3 1035.1183476  595161404594713 4    584811 4      C-13-H3C(O)CH3
  561311.3666  0.0044 -4.3081 3  130.4723392  59516140424 915 1    23 816 1      C-13-H3C(O)CH3
  561311.7142  0.0044 -4.3081 3  130.4723392  595161404241015 1    23 716 1      C-13-H3C(O)CH3
  561349.4830  0.0681 -6.1351 3 1035.1046952  595161404594713 2    584811 2      C-13-H3C(O)CH3
  561350.7803  0.0685 -6.1349 3 1035.1274952  595161404594712 1    584810 1      C-13-H3C(O)CH3
  561360.9675  0.1978 -6.3872 3  950.6334936  595161404584018 0    583721 0      C-13-H3C(O)CH3
  561364.3092  0.0407 -5.3558 3  695.5534404  595161404503317 4    493415 4      C-13-H3C(O)CH3
  561389.2583  0.0463 -5.8800 3 1085.0568C08  595161404751066 0    75 867 0      C-13-H3C(O)CH3
  561389.2583  0.0463 -5.3544 3 1085.0568C08  59516140475 966 0    75 867 0      C-13-H3C(O)CH3
  561389.2583  0.0463 -5.3544 3 1085.0568C08  595161404751066 0    75 967 0      C-13-H3C(O)CH3
  561389.2583  0.0463 -5.8800 3 1085.0568C08  59516140475 966 0    75 967 0      C-13-H3C(O)CH3
  561418.6706  0.0147 -5.2016 3  140.7494376  5951614042317 7 1    2214 8 1      C-13-H3C(O)CH3
  561419.0318  0.0426 -5.0875 3  695.5218808  595161404503317 2    493415 2      C-13-H3C(O)CH3
  561450.9996  0.0590 -5.5787 3  695.5223404  595161404503317 3    493415 3      C-13-H3C(O)CH3
  561452.9311  0.0873 -6.4361 3 1035.1448476  595161404594712 3    584810 3      C-13-H3C(O)CH3
  561496.8899  0.0722 -6.1348 3 1035.1310952  595161404594712 2    584810 2      C-13-H3C(O)CH3
  561497.5868  0.0875 -6.4364 3 1035.1318476  595161404594713 3    584811 3      C-13-H3C(O)CH3
  561513.0593  0.0629 -5.2535 3 1085.0288C08  595161404751066 2    75 867 2      C-13-H3C(O)CH3
  561513.0593  0.0629 -5.2535 3 1085.0288C08  59516140475 966 2    75 967 2      C-13-H3C(O)CH3
  561513.7536  0.0646 -5.2408 3 1085.0289C08  59516140475 966 1    75 867 1      C-13-H3C(O)CH3
  561513.7536  0.0646 -5.2408 3 1085.0289C08  595161404751066 1    75 967 1      C-13-H3C(O)CH3
  561558.5565  0.0493 -5.1140 3  695.5060808  595161404503317 1    493415 1      C-13-H3C(O)CH3
  561592.0940  0.0184 -5.3611 3  140.7546188  5951614042317 7 3    2214 8 3      C-13-H3C(O)CH3
  561592.8314  0.0045 -4.3073 3  130.4563392  59516140424 915 0    23 816 0      C-13-H3C(O)CH3
  561593.1918  0.0045 -4.3073 3  130.4563392  595161404241015 0    23 716 0      C-13-H3C(O)CH3
  561637.6477  0.0627 -5.9742 3 1085.0008604  595161404751066 3    75 867 3      C-13-H3C(O)CH3
  561637.6477  0.0627 -5.7416 3 1085.0008604  595161404751066 3    75 967 3      C-13-H3C(O)CH3
  561637.6477  0.0627 -5.9742 3 1085.0008604  59516140475 966 3    75 967 3      C-13-H3C(O)CH3
  561637.6477  0.0627 -5.7416 3 1085.0008604  59516140475 966 3    75 867 3      C-13-H3C(O)CH3
  561637.6682  0.0627 -5.6279 3 1085.0008604  59516140475 966 4    75 867 4      C-13-H3C(O)CH3
  561637.6682  0.0627 -5.6279 3 1085.0008604  595161404751066 4    75 967 4      C-13-H3C(O)CH3
  561637.6682  0.0627 -6.2848 3 1085.0008604  595161404751066 4    75 867 4      C-13-H3C(O)CH3
  561637.6682  0.0627 -6.2848 3 1085.0008604  59516140475 966 4    75 967 4      C-13-H3C(O)CH3
  561644.6483  0.0961 -6.4362 3 1035.1583476  595161404594712 4    584810 4      C-13-H3C(O)CH3
  561691.8471  0.0713 -5.7025 3  695.5143404  595161404503317 3    493416 3      C-13-H3C(O)CH3
  561756.4307  0.0061 -3.8062 3  538.4493468 -59516140458 158 4    57 057 4      C-13-H3C(O)CH3
  561756.4307  0.0061 -4.2419 3  538.4493468 -59516140458 058 4    57 057 4      C-13-H3C(O)CH3
  561756.4307  0.0062 -3.7087 3  538.4493468 -59516140458 058 3    57 157 3      C-13-H3C(O)CH3
  561756.4307  0.0062 -4.7456 3  538.4493468 -59516140458 158 3    57 157 3      C-13-H3C(O)CH3
  561756.4745  0.0061 -4.2419 3  538.4493468  59516140458 158 4    57 157 4      C-13-H3C(O)CH3
  561756.4745  0.0061 -3.8062 3  538.4493468  59516140458 058 4    57 157 4      C-13-H3C(O)CH3
  561756.4878  0.0062 -3.7087 3  538.4493468  59516140458 158 3    57 057 3      C-13-H3C(O)CH3
  561756.4878  0.0062 -4.7456 3  538.4493468  59516140458 058 3    57 057 3      C-13-H3C(O)CH3
  561760.2055  0.0097 -3.3695 3  538.3844936  59516140458 158 1    57 157 1      C-13-H3C(O)CH3
  561760.2055  0.0097 -3.3695 3  538.3844936  59516140458 058 1    57 057 1      C-13-H3C(O)CH3
  561760.2982  0.0092 -3.3696 3  538.3841936 -59516140458 058 2    57 057 2      C-13-H3C(O)CH3
  561760.3770  0.0092 -3.3696 3  538.3841936  59516140458 158 2    57 157 2      C-13-H3C(O)CH3
  561764.0761  0.0070 -5.0977 3  538.3194936  59516140458 158 0    57 157 0      C-13-H3C(O)CH3
  561764.0761  0.0070 -3.3774 3  538.3194936  59516140458 058 0    57 157 0      C-13-H3C(O)CH3
  561764.1557  0.0070 -3.3774 3  538.3194936 -59516140458 158 0    57 057 0      C-13-H3C(O)CH3
  561764.1557  0.0070 -5.0977 3  538.3194936 -59516140458 058 0    57 057 0      C-13-H3C(O)CH3
  561889.0247  0.1891 -6.4073 3 1812.7536E48  595161404902367 2    902368 2      C-13-H3C(O)CH3
  561889.0247  0.1891 -6.4073 3 1812.7536E48  595161404902467 2    902268 2      C-13-H3C(O)CH3
  561891.0039  0.0681 -4.9014 3  528.2404356  595161404442717 3    432816 3      C-13-H3C(O)CH3
  561900.0438  0.0424 -5.2023 3 1039.9134B92  59516140474 966 0    74 767 0      C-13-H3C(O)CH3
  561900.0438  0.0424 -5.2023 3 1039.9134B92  59516140474 866 0    74 867 0      C-13-H3C(O)CH3
  561903.4094  0.0459 -5.0341 3  695.4736808  595161404503317 0    493416 0      C-13-H3C(O)CH3
  561911.4647  0.0187 -4.2404 3  407.0760316  595161404392217 3    382316 3      C-13-H3C(O)CH3
  561923.4166  0.0174 -4.2404 3  407.0758316  595161404392217 4    382316 4      C-13-H3C(O)CH3
  561928.2168  0.2045 -6.3817 3 1812.7313E48  595161404902467 0    902368 0      C-13-H3C(O)CH3
  561928.2168  0.2045 -6.3817 3 1812.7313E48  595161404902367 0    902268 0      C-13-H3C(O)CH3
  561959.4056  0.0174 -3.9393 3  407.0966632  595161404392217 2    382316 2      C-13-H3C(O)CH3
  561981.3722  0.0518 -6.4172 3  613.1125760  595161404473116 1    472621 1      C-13-H3C(O)CH3
  561983.6809  0.0172 -5.7654 3  140.7546188  5951614042317 6 3    2214 8 3      C-13-H3C(O)CH3
  561984.3653  0.0719 -6.0583 3 1039.8821B92  59516140474 866 2    74 867 2      C-13-H3C(O)CH3
  561984.3653  0.0719 -5.2591 3 1039.8821B92  59516140474 866 2    74 767 2      C-13-H3C(O)CH3
  561984.3653  0.0719 -5.2591 3 1039.8821B92  59516140474 966 2    74 867 2      C-13-H3C(O)CH3
  561984.3653  0.0719 -6.0583 3 1039.8821B92  59516140474 966 2    74 767 2      C-13-H3C(O)CH3
  561984.5967  0.0733 -5.8041 3 1039.8822B92  59516140474 966 1    74 867 1      C-13-H3C(O)CH3
  561984.5967  0.0733 -5.3178 3 1039.8822B92  59516140474 966 1    74 767 1      C-13-H3C(O)CH3
  561984.5967  0.0733 -5.3178 3 1039.8822B92  59516140474 866 1    74 867 1      C-13-H3C(O)CH3
  561984.5967  0.0733 -5.8041 3 1039.8822B92  59516140474 866 1    74 767 1      C-13-H3C(O)CH3
  562065.0165  0.0142 -5.1857 3  140.7409376  5951614042317 7 2    2214 8 2      C-13-H3C(O)CH3
  562068.8463  0.0566 -5.5577 3 1039.8509596  59516140474 866 4    74 867 4      C-13-H3C(O)CH3
  562068.8463  0.0566 -6.3730 3 1039.8509596  59516140474 966 4    74 867 4      C-13-H3C(O)CH3
  562068.8463  0.0566 -5.6455 3 1039.8509596  59516140474 966 4    74 767 4      C-13-H3C(O)CH3
  562068.8463  0.0566 -6.0314 3 1039.8509596  59516140474 866 4    74 767 4      C-13-H3C(O)CH3
  562068.9711  0.0566 -5.5305 3 1039.8509596  59516140474 866 3    74 867 3      C-13-H3C(O)CH3
  562068.9711  0.0566 -5.5305 3 1039.8509596  59516140474 966 3    74 767 3      C-13-H3C(O)CH3
  562088.0411  0.0045 -3.4750 3  253.8820236  5951614042926 3 4    2825 3 4      C-13-H3C(O)CH3
  562154.0841  0.0123 -3.9377 3  407.1014632  595161404392217 1    382316 1      C-13-H3C(O)CH3
  562199.2765  0.0121 -3.9377 3  407.1221632  595161404392217 0    382316 0      C-13-H3C(O)CH3
  562199.2802  0.0577 -4.9331 3  528.2309356  595161404442717 4    432816 4      C-13-H3C(O)CH3
  562219.7643  0.0038 -3.1737 3  253.9360472 -5951614042926 3 2    2825 3 2      C-13-H3C(O)CH3
  562219.7643  0.0038 -3.1737 3  253.9172472 -5951614042926 3 1    2825 3 1      C-13-H3C(O)CH3
  562283.7649  0.0044 -3.4746 3  253.8588236  5951614042926 4 3    2825 4 3      C-13-H3C(O)CH3
  562296.3609  0.0600 -4.6117 3  528.2467712  595161404442717 2    432816 2      C-13-H3C(O)CH3
  562312.5628  0.0095 -5.2753 3  119.2163344  5951614042117 4 0    2014 7 0      C-13-H3C(O)CH3
  562313.4605  0.0038 -3.9075 3  520.4568412 -59516140451 843 4    50 842 4      C-13-H3C(O)CH3
  562313.4605  0.0037 -5.3154 3  520.4568412 -59516140451 843 3    50 842 3      C-13-H3C(O)CH3
  562313.4605  0.0037 -3.7941 3  520.4568412 -59516140451 943 3    50 842 3      C-13-H3C(O)CH3
  562313.4605  0.0037 -3.7941 3  520.4568412 -59516140451 843 3    50 942 3      C-13-H3C(O)CH3
  562313.4605  0.0038 -4.3791 3  520.4568412 -59516140451 843 4    50 942 4      C-13-H3C(O)CH3
  562313.4605  0.0038 -3.9075 3  520.4568412 -59516140451 943 4    50 942 4      C-13-H3C(O)CH3
  562313.4605  0.0038 -4.3791 3  520.4568412 -59516140451 943 4    50 842 4      C-13-H3C(O)CH3
  562313.4605  0.0037 -5.3154 3  520.4568412 -59516140451 943 3    50 942 3      C-13-H3C(O)CH3
  562320.3314  0.0143 -5.4916 3  129.6679360  5951614042217 6 1    2114 7 1      C-13-H3C(O)CH3
  562329.9492  0.0055 -4.9284 3  520.4849824 -59516140451 843 1    50 942 1      C-13-H3C(O)CH3
  562329.9492  0.0054 -3.5031 3  520.4844824 -59516140451 943 2    50 842 2      C-13-H3C(O)CH3
  562329.9492  0.0054 -3.5031 3  520.4844824 -59516140451 843 2    50 942 2      C-13-H3C(O)CH3
  562329.9492  0.0054 -4.7698 3  520.4844824 -59516140451 843 2    50 842 2      C-13-H3C(O)CH3
  562329.9492  0.0054 -4.7698 3  520.4844824 -59516140451 943 2    50 942 2      C-13-H3C(O)CH3
  562329.9492  0.0055 -3.4960 3  520.4849824 -59516140451 943 1    50 942 1      C-13-H3C(O)CH3
  562329.9492  0.0055 -4.9284 3  520.4849824 -59516140451 943 1    50 842 1      C-13-H3C(O)CH3
  562329.9492  0.0055 -3.4960 3  520.4849824 -59516140451 843 1    50 842 1      C-13-H3C(O)CH3
  562340.8007  0.0068 -4.1001 3  403.1815316  595161404392118 3    382217 3      C-13-H3C(O)CH3
  562344.0711  0.0067 -4.1000 3  403.1814316  595161404392118 4    382217 4      C-13-H3C(O)CH3
  562344.3283  0.0044 -3.4745 3  253.8708236  5951614042926 3 3    2825 3 3      C-13-H3C(O)CH3
  562346.2627  0.0034 -3.4803 3  520.5125824 -59516140451 843 0    50 842 0      C-13-H3C(O)CH3
  562346.2627  0.0034 -3.7214 3  520.5125824 -59516140451 943 0    50 942 0      C-13-H3C(O)CH3
  562346.2627  0.0034 -3.8508 3  520.5125824 -59516140451 943 0    50 842 0      C-13-H3C(O)CH3
  562351.8212  0.0035 -3.1735 3  253.9711472 -5951614042926 3 0    2825 4 0      C-13-H3C(O)CH3
  562351.8212  0.0035 -3.1735 3  253.9711472 -5951614042926 4 0    2825 3 0      C-13-H3C(O)CH3
  562367.3715  0.0069 -3.7991 3  403.2035632  595161404392118 2    382217 2      C-13-H3C(O)CH3
  562396.4766  0.0051 -3.7985 3  403.2092632  595161404392118 1    382217 1      C-13-H3C(O)CH3
  562415.5017  0.0036 -3.1734 3  253.9127472 -5951614042926 4 2    2825 4 2      C-13-H3C(O)CH3
  562422.0970  0.0051 -3.7985 3  403.2313632  595161404392118 0    382217 0      C-13-H3C(O)CH3
  562424.3455  0.0438 -5.2085 3  995.3490B76  59516140473 766 0    73 767 0      C-13-H3C(O)CH3
  562424.3455  0.0438 -6.1143 3  995.3490B76  59516140473 866 0    73 767 0      C-13-H3C(O)CH3
  562424.3455  0.0438 -6.1143 3  995.3490B76  59516140473 766 0    73 667 0      C-13-H3C(O)CH3
  562424.3455  0.0438 -5.2085 3  995.3490B76  59516140473 866 0    73 667 0      C-13-H3C(O)CH3
  562448.6450  0.0842 -5.1749 3  995.3169B76  59516140473 866 1    73 667 1      C-13-H3C(O)CH3
  562448.6450  0.0842 -5.1749 3  995.3169B76  59516140473 766 1    73 767 1      C-13-H3C(O)CH3
  562449.1603  0.0833 -5.2465 3  995.3167B76  59516140473 766 2    73 667 2      C-13-H3C(O)CH3
  562449.1603  0.0833 -5.8897 3  995.3167B76  59516140473 766 2    73 767 2      C-13-H3C(O)CH3
  562449.1603  0.0833 -5.2465 3  995.3167B76  59516140473 866 2    73 767 2      C-13-H3C(O)CH3
  562449.1603  0.0833 -5.8897 3  995.3167B76  59516140473 866 2    73 667 2      C-13-H3C(O)CH3
  562472.4029  0.0862 -6.4472 3  613.1074760  595161404473116 2    472621 2      C-13-H3C(O)CH3
  562473.1576  0.0511 -5.4822 3  995.2845588  59516140473 766 4    73 767 4      C-13-H3C(O)CH3
  562473.1576  0.0511 -6.2096 3  995.2845588  59516140473 866 4    73 767 4      C-13-H3C(O)CH3
  562473.1576  0.0511 -5.5432 3  995.2845588  59516140473 866 4    73 667 4      C-13-H3C(O)CH3
  562473.4610  0.0511 -5.4712 3  995.2845588  59516140473 766 3    73 767 3      C-13-H3C(O)CH3
  562473.4610  0.0511 -5.4712 3  995.2845588  59516140473 866 3    73 667 3      C-13-H3C(O)CH3
  562475.3072  0.0037 -3.1732 3  253.9059472 -5951614042926 4 1    2825 4 1      C-13-H3C(O)CH3
  562492.0934  0.0659 -5.8104 3  695.4748808  595161404503317 1    493416 1      C-13-H3C(O)CH3
  562539.1694  0.0049 -3.4742 3  253.8477236  5951614042926 4 4    2825 4 4      C-13-H3C(O)CH3
  562558.7135  0.2031 -6.2831 3 1758.9529E32  595161404892267 1    892168 1      C-13-H3C(O)CH3
  562558.7135  0.2031 -6.2831 3 1758.9529E32  595161404892367 1    892268 1      C-13-H3C(O)CH3
  562576.7763  0.0054 -3.6484 3  257.8062504  595161404312011 2    301912 2      C-13-H3C(O)CH3
  562590.4480  0.0726 -5.9730 3  695.4827808  595161404503317 2    493416 2      C-13-H3C(O)CH3
  562595.7447  0.2020 -6.3143 3 1758.9323E32  595161404892367 0    892168 0      C-13-H3C(O)CH3
  562595.7447  0.2020 -6.3143 3 1758.9323E32  595161404892267 0    892268 0      C-13-H3C(O)CH3
  562621.9843  0.0047 -3.6487 3  257.8257504  595161404312011 0    301912 0      C-13-H3C(O)CH3
  562623.2791  0.0868 -5.3147 3  631.8872388  595161404483019 4    473116 4      C-13-H3C(O)CH3
  562629.4181  0.0180 -5.6665 3  129.6716180  5951614042217 6 3    2114 7 3      C-13-H3C(O)CH3
  562630.3578  0.0067 -3.9516 3  257.7889252  595161404312011 4    301912 4      C-13-H3C(O)CH3
  562638.4289  0.0033 -3.6703 3  430.9728664  595161404411922 0    402021 0      C-13-H3C(O)CH3
  562639.1836  0.0068 -3.9517 3  257.7891252  595161404312011 3    301912 3      C-13-H3C(O)CH3
  562643.0706  0.0041 -3.6702 3  430.9481664  595161404411922 1    402021 1      C-13-H3C(O)CH3
  562646.0229  0.0033 -3.6703 3  430.9726664  595161404412022 0    401921 0      C-13-H3C(O)CH3
  562650.8741  0.0041 -3.6702 3  430.9479664  595161404412022 1    401921 1      C-13-H3C(O)CH3
  562655.1835  0.0043 -3.6703 3  430.9449664  595161404411922 2    402021 2      C-13-H3C(O)CH3
  562659.7426  0.0044 -3.9713 3  430.9201332  595161404411922 4    402021 4      C-13-H3C(O)CH3
  562659.8051  0.0044 -3.9713 3  430.9202332  595161404411922 3    402021 3      C-13-H3C(O)CH3
  562663.2700  0.0043 -3.6703 3  430.9447664  595161404412022 2    401921 2      C-13-H3C(O)CH3
  562668.0262  0.0044 -3.9713 3  430.9199332  595161404412022 4    401921 4      C-13-H3C(O)CH3
  562668.1180  0.0044 -3.9713 3  430.9200332  595161404412022 3    401921 3      C-13-H3C(O)CH3
  562678.9443  0.0053 -3.6509 3  257.8086504  595161404312011 1    301912 1      C-13-H3C(O)CH3
  562686.8347  0.0496 -6.4396 3  590.0680744  595161404463115 0    462620 0      C-13-H3C(O)CH3
  562704.5478  0.0314 -4.6020 3  528.2449712  595161404442717 1    432816 1      C-13-H3C(O)CH3
  562748.3549  0.0034 -3.6383 3  443.7580680  595161404421824 0    411923 0      C-13-H3C(O)CH3
  562748.4893  0.0034 -3.6383 3  443.7580680  595161404421924 0    411823 0      C-13-H3C(O)CH3
  562756.1716  0.0043 -3.6383 3  443.7326680  595161404421824 1    411923 1      C-13-H3C(O)CH3
  562756.3131  0.0043 -3.6383 3  443.7326680  595161404421924 1    411823 1      C-13-H3C(O)CH3
  562764.3717  0.0045 -3.6383 3  443.7302680  595161404421824 2    411923 2      C-13-H3C(O)CH3
  562764.5192  0.0045 -3.6383 3  443.7302680  595161404421924 2    411823 2      C-13-H3C(O)CH3
  562772.1509  0.0046 -3.9393 3  443.7046340  595161404421824 4    411923 4      C-13-H3C(O)CH3
  562772.1963  0.0046 -3.9393 3  443.7047340  595161404421824 3    411923 3      C-13-H3C(O)CH3
  562772.3054  0.0046 -3.9393 3  443.7046340  595161404421924 4    411823 4      C-13-H3C(O)CH3
  562772.3518  0.0046 -3.9393 3  443.7047340  595161404421924 3    411823 3      C-13-H3C(O)CH3
  562816.7304  0.0167 -6.0359 3  119.2081344  5951614042117 4 1    2014 7 1      C-13-H3C(O)CH3
  562848.3517  0.0462 -5.5535 3  951.3031580  59516140472 766 4    72 567 4      C-13-H3C(O)CH3
  562848.3517  0.0462 -6.0406 3  951.3031580  59516140472 766 4    72 667 4      C-13-H3C(O)CH3
  562848.3517  0.0462 -5.5535 3  951.3031580  59516140472 666 4    72 667 4      C-13-H3C(O)CH3
  562848.3517  0.0462 -6.0406 3  951.3031580  59516140472 666 4    72 567 4      C-13-H3C(O)CH3
  562848.8461  0.0462 -5.4332 3  951.3031580  59516140472 666 3    72 567 3      C-13-H3C(O)CH3
  562848.8461  0.0462 -5.4332 3  951.3031580  59516140472 766 3    72 667 3      C-13-H3C(O)CH3
  562860.5317  0.0162 -5.9470 3  119.2140344  5951614042117 4 2    2014 7 2      C-13-H3C(O)CH3
  562862.9509  0.0138 -5.4652 3  129.6635360  5951614042217 6 2    2114 7 2      C-13-H3C(O)CH3
  562906.2283  0.0164 -5.7235 3  129.6716180  5951614042217 5 3    2114 7 3      C-13-H3C(O)CH3
  562907.6144  0.0898 -5.9249 3  951.3333B60  59516140472 666 1    72 567 1      C-13-H3C(O)CH3
  562907.6144  0.0898 -5.2059 3  951.3333B60  59516140472 666 1    72 667 1      C-13-H3C(O)CH3
  562907.6144  0.0898 -5.9249 3  951.3333B60  59516140472 766 1    72 667 1      C-13-H3C(O)CH3
  562907.6144  0.0898 -5.2059 3  951.3333B60  59516140472 766 1    72 567 1      C-13-H3C(O)CH3
  562908.9896  0.0895 -5.5649 3  951.3331B60  59516140472 666 2    72 667 2      C-13-H3C(O)CH3
  562908.9896  0.0895 -5.5649 3  951.3331B60  59516140472 766 2    72 567 2      C-13-H3C(O)CH3
  562908.9896  0.0895 -5.3288 3  951.3331B60  59516140472 666 2    72 567 2      C-13-H3C(O)CH3
  562908.9896  0.0895 -5.3288 3  951.3331B60  59516140472 766 2    72 667 2      C-13-H3C(O)CH3
  562956.2302  0.0338 -4.5959 3  528.2561712  595161404442717 0    432816 0      C-13-H3C(O)CH3
  562967.6872  0.0459 -5.1608 3  951.3633B60  59516140472 666 0    72 567 0      C-13-H3C(O)CH3
  562967.6872  0.0459 -6.2942 3  951.3633B60  59516140472 666 0    72 667 0      C-13-H3C(O)CH3
  562967.6872  0.0459 -5.1608 3  951.3633B60  59516140472 766 0    72 667 0      C-13-H3C(O)CH3
  562967.6872  0.0459 -6.2942 3  951.3633B60  59516140472 766 0    72 567 0      C-13-H3C(O)CH3
  563106.1380  0.0144 -5.2347 3  140.7494376  5951614042317 6 1    2214 8 1      C-13-H3C(O)CH3
  563114.4959  0.0295 -4.5715 3  264.5328252  595161404312210 4    3021 9 4      C-13-H3C(O)CH3
  563131.9507  0.0039 -3.7156 3  417.4625648  595161404402020 1    392119 1      C-13-H3C(O)CH3
  563135.2373  0.0033 -3.7156 3  417.4862648  595161404402020 0    392119 0      C-13-H3C(O)CH3
  563141.4452  0.0107 -4.9200 3  140.7350376  5951614042317 7 0    2214 8 0      C-13-H3C(O)CH3
  563144.6752  0.0043 -4.0167 3  417.4344324  595161404402020 3    392119 3      C-13-H3C(O)CH3
  563144.8039  0.0043 -4.0167 3  417.4343324  595161404402020 4    392119 4      C-13-H3C(O)CH3
  563148.1255  0.0043 -3.7157 3  417.4580648  595161404402020 2    392119 2      C-13-H3C(O)CH3
  563191.9727  0.0425 -6.0059 3  907.9080572  59516140471 666 4    71 467 4      C-13-H3C(O)CH3
  563191.9727  0.0425 -5.5466 3  907.9080572  59516140471 666 4    71 567 4      C-13-H3C(O)CH3
  563191.9727  0.0425 -5.5466 3  907.9080572  59516140471 566 4    71 467 4      C-13-H3C(O)CH3
  563191.9727  0.0425 -6.0059 3  907.9080572  59516140471 566 4    71 567 4      C-13-H3C(O)CH3
  563192.6260  0.0424 -5.4186 3  907.9080572  59516140471 566 3    71 567 3      C-13-H3C(O)CH3
  563192.6260  0.0424 -5.4186 3  907.9080572  59516140471 666 3    71 467 3      C-13-H3C(O)CH3
  563219.1275  0.2174 -6.3268 3 1705.7250E16  595161404882167 1    882068 1      C-13-H3C(O)CH3
  563219.1275  0.2174 -6.3268 3 1705.7250E16  595161404882267 1    882168 1      C-13-H3C(O)CH3
  563228.4034  0.0035 -3.6137 3  455.9003696  595161404431726 0    421825 0      C-13-H3C(O)CH3
  563228.4051  0.0035 -3.6137 3  455.9003696  595161404431826 0    421725 0      C-13-H3C(O)CH3
  563230.5280  0.2115 -6.2803 3 1705.7273E16  595161404882267 2    882168 2      C-13-H3C(O)CH3
  563230.5280  0.2115 -6.2803 3 1705.7273E16  595161404882167 2    882068 2      C-13-H3C(O)CH3
  563237.4159  0.0046 -3.6136 3  455.8741696  595161404431726 1    421825 1      C-13-H3C(O)CH3
  563237.4178  0.0046 -3.6136 3  455.8741696  595161404431826 1    421725 1      C-13-H3C(O)CH3
  563241.1005  0.2034 -6.3521 3 1705.7034E16  595161404882267 0    882068 0      C-13-H3C(O)CH3
  563241.1005  0.2034 -6.3521 3 1705.7034E16  595161404882167 0    882168 0      C-13-H3C(O)CH3
  563243.2489  0.0047 -3.6137 3  455.8723696  595161404431726 2    421825 2      C-13-H3C(O)CH3
  563243.2509  0.0047 -3.6137 3  455.8723696  595161404431826 2    421725 2      C-13-H3C(O)CH3
  563250.8177  0.0184 -5.4961 3  140.7562188  5951614042317 6 4    2214 8 4      C-13-H3C(O)CH3
  563252.2444  0.0047 -3.9146 3  455.8460348  595161404431726 4    421825 4      C-13-H3C(O)CH3
  563252.2465  0.0047 -3.9146 3  455.8460348  595161404431826 4    421725 4      C-13-H3C(O)CH3
  563252.2792  0.0048 -3.9146 3  455.8461348  595161404431726 3    421825 3      C-13-H3C(O)CH3
  563252.2813  0.0048 -3.9146 3  455.8461348  595161404431826 3    421725 3      C-13-H3C(O)CH3
  563260.5305  0.0524 -5.6200 3  795.0327428  595161404533717 4    523815 4      C-13-H3C(O)CH3
  563262.4171  0.0506 -5.3190 3  795.0142856  595161404533717 2    523815 2      C-13-H3C(O)CH3
  563298.6078  0.0655 -4.9367 3  631.8694776  595161404483019 2    473116 2      C-13-H3C(O)CH3
  563301.8461  0.0166 -4.0862 3  264.5493504  595161404312210 1    3021 9 1      C-13-H3C(O)CH3
  563363.3696  0.0865 -5.1168 3  907.9321B44  59516140471 666 1    71 467 1      C-13-H3C(O)CH3
  563363.3696  0.0865 -5.1168 3  907.9321B44  59516140471 566 1    71 567 1      C-13-H3C(O)CH3
  563365.4668  0.0861 -5.1687 3  907.9318B44  59516140471 566 2    71 467 2      C-13-H3C(O)CH3
  563365.4668  0.0861 -5.9327 3  907.9318B44  59516140471 566 2    71 567 2      C-13-H3C(O)CH3
  563365.4668  0.0861 -6.0561 3  907.9318B44  59516140471 666 2    71 467 2      C-13-H3C(O)CH3
  563365.4668  0.0861 -5.1876 3  907.9318B44  59516140471 666 2    71 567 2      C-13-H3C(O)CH3
  563404.6026  0.0528 -5.3190 3  794.9825856  595161404533717 0    523814 0      C-13-H3C(O)CH3
  563406.3300  0.0146 -5.2578 3  140.7409376  5951614042317 6 2    2214 8 2      C-13-H3C(O)CH3
  563408.0477  0.0545 -5.3191 3  795.0011856  595161404533717 1    523815 1      C-13-H3C(O)CH3
  563408.5838  0.0036 -5.0111 3  526.9285420 -59516140452 745 4    51 844 4      C-13-H3C(O)CH3
  563408.5838  0.0036 -4.6579 3  526.9285420 -59516140452 845 3    51 744 3      C-13-H3C(O)CH3
  563408.5838  0.0036 -3.7960 3  526.9285420 -59516140452 745 4    51 744 4      C-13-H3C(O)CH3
  563408.5838  0.0036 -3.7960 3  526.9285420 -59516140452 845 4    51 844 4      C-13-H3C(O)CH3
  563408.5838  0.0036 -3.8306 3  526.9285420 -59516140452 745 3    51 744 3      C-13-H3C(O)CH3
  563408.5838  0.0036 -4.6579 3  526.9285420 -59516140452 745 3    51 844 3      C-13-H3C(O)CH3
  563408.5838  0.0036 -3.8306 3  526.9285420 -59516140452 845 3    51 844 3      C-13-H3C(O)CH3
  563408.5838  0.0036 -5.0111 3  526.9285420 -59516140452 845 4    51 744 4      C-13-H3C(O)CH3
  563417.8660  0.0528 -5.3190 3  794.9825856  595161404533716 0    523815 0      C-13-H3C(O)CH3
  563428.3219  0.0033 -3.7151 3  417.4785648  595161404402120 0    392019 0      C-13-H3C(O)CH3
  563428.5436  0.0040 -3.7150 3  417.4548648  595161404402120 1    392019 1      C-13-H3C(O)CH3
  563429.1947  0.0053 -3.4884 3  526.9544840 -59516140452 845 1    51 844 1      C-13-H3C(O)CH3
  563429.1947  0.0053 -3.4884 3  526.9544840 -59516140452 745 1    51 744 1      C-13-H3C(O)CH3
  563429.1947  0.0053 -4.8361 3  526.9544840 -59516140452 745 1    51 844 1      C-13-H3C(O)CH3
  563429.1947  0.0051 -3.5374 3  526.9540840 -59516140452 745 2    51 844 2      C-13-H3C(O)CH3
  563429.1947  0.0051 -4.3075 3  526.9540840 -59516140452 745 2    51 744 2      C-13-H3C(O)CH3
  563429.1947  0.0051 -4.3075 3  526.9540840 -59516140452 845 2    51 844 2      C-13-H3C(O)CH3
  563429.1947  0.0051 -3.5374 3  526.9540840 -59516140452 845 2    51 744 2      C-13-H3C(O)CH3
  563429.1947  0.0053 -4.8361 3  526.9544840 -59516140452 845 1    51 744 1      C-13-H3C(O)CH3
  563431.3648  0.0240 -4.1792 3  264.5261252  595161404312210 3    3021 9 3      C-13-H3C(O)CH3
  563436.8060  0.0472 -5.6207 3  795.0496428  595161404533717 3    523814 3      C-13-H3C(O)CH3
  563441.1732  0.0507 -5.1646 3  631.8628388  595161404483019 3    473116 3      C-13-H3C(O)CH3
  563449.9045  0.0034 -5.8709 3  526.9799840 -59516140452 845 0    51 744 0      C-13-H3C(O)CH3
  563449.9045  0.0034 -3.4711 3  526.9799840 -59516140452 845 0    51 844 0      C-13-H3C(O)CH3
  563449.9045  0.0034 -3.4711 3  526.9799840 -59516140452 745 0    51 744 0      C-13-H3C(O)CH3
  563449.9045  0.0034 -5.8709 3  526.9799840 -59516140452 745 0    51 844 0      C-13-H3C(O)CH3
  563453.0723  0.0041 -4.0161 3  417.4263324  595161404402120 4    392019 4      C-13-H3C(O)CH3
  563453.2872  0.0040 -3.7151 3  417.4501648  595161404402120 2    392019 2      C-13-H3C(O)CH3
  563453.5765  0.0042 -4.0161 3  417.4263324  595161404402120 3    392019 3      C-13-H3C(O)CH3
  563501.3874  0.0423 -5.5559 3  865.1007564  59516140470 466 4    70 367 4      C-13-H3C(O)CH3
  563501.3874  0.0423 -5.9989 3  865.1007564  59516140470 566 4    70 367 4      C-13-H3C(O)CH3
  563501.3874  0.0423 -5.9989 3  865.1007564  59516140470 466 4    70 467 4      C-13-H3C(O)CH3
  563501.3874  0.0423 -5.5559 3  865.1007564  59516140470 566 4    70 467 4      C-13-H3C(O)CH3
  563502.0869  0.0420 -6.1670 3  865.1007564  59516140470 466 3    70 367 3      C-13-H3C(O)CH3
  563502.0869  0.0420 -5.5083 3  865.1007564  59516140470 566 3    70 367 3      C-13-H3C(O)CH3
  563502.0869  0.0420 -5.5083 3  865.1007564  59516140470 466 3    70 467 3      C-13-H3C(O)CH3
  563502.0869  0.0420 -6.1670 3  865.1007564  59516140470 566 3    70 467 3      C-13-H3C(O)CH3
  563526.8468  0.0041 -3.5730 3  258.2126244  5951614043024 6 4    2923 6 4      C-13-H3C(O)CH3
  563536.0269  0.0453 -5.6318 3  907.9558B44  59516140471 666 0    71 567 0      C-13-H3C(O)CH3
  563536.0269  0.0453 -5.2733 3  907.9558B44  59516140471 666 0    71 467 0      C-13-H3C(O)CH3
  563536.0269  0.0453 -5.2733 3  907.9558B44  59516140471 566 0    71 567 0      C-13-H3C(O)CH3
  563536.0269  0.0453 -5.6318 3  907.9558B44  59516140471 566 0    71 467 0      C-13-H3C(O)CH3
  563583.3478  0.0062 -4.9173 3  107.0740188  59516140423 617 3    22 518 3      C-13-H3C(O)CH3
  563583.3479  0.0062 -4.9173 3  107.0740188  59516140423 717 3    22 418 3      C-13-H3C(O)CH3
  563583.4049  0.0080 -4.9173 3  107.0740188  59516140423 617 4    22 518 4      C-13-H3C(O)CH3
  563583.4050  0.0080 -4.9173 3  107.0740188  59516140423 717 4    22 418 4      C-13-H3C(O)CH3
  563586.5036  0.0514 -5.3190 3  795.0179856  595161404533716 1    523814 1      C-13-H3C(O)CH3
  563613.0116  0.0403 -5.6208 3  795.0482428  595161404533716 3    523815 3      C-13-H3C(O)CH3
  563616.1003  0.0451 -5.3189 3  795.0297856  595161404533716 2    523814 2      C-13-H3C(O)CH3
  563625.8912  0.0473 -5.9545 3  989.4428936  595161404584513 0    574612 0      C-13-H3C(O)CH3
  563625.8912  0.0473 -5.9545 3  989.4428936  595161404584514 0    574611 0      C-13-H3C(O)CH3
  563630.6271  0.0035 -3.2718 3  258.2320488 -5951614043024 6 1    2923 6 1      C-13-H3C(O)CH3
  563644.3737  0.0355 -4.9030 3  631.8582776  595161404483019 1    473116 1      C-13-H3C(O)CH3
  563675.3994  0.0039 -3.5730 3  258.1929244  5951614043024 6 3    2923 6 3      C-13-H3C(O)CH3
  563676.5166  0.0594 -5.9547 3  989.4608936  595161404584514 1    574612 1      C-13-H3C(O)CH3
  563676.7794  0.0036 -3.2716 3  258.2452488 -5951614043024 6 2    2923 6 2      C-13-H3C(O)CH3
  563699.2111  0.0124 -3.5312 3  264.5510504  595161404312210 2    3021 9 2      C-13-H3C(O)CH3
  563737.8554  0.0038 -3.5726 3  258.1901244  5951614043024 7 3    2923 7 3      C-13-H3C(O)CH3
  563762.4627  0.0030 -3.4192 3  264.5700504 -595161404312210 0    3021 9 0      C-13-H3C(O)CH3
  563773.8261  0.0499 -5.4822 3  822.8828556  59516140469 366 4    69 267 4      C-13-H3C(O)CH3
  563773.8261  0.0499 -5.4822 3  822.8828556  59516140469 466 4    69 367 4      C-13-H3C(O)CH3
  563774.3248  0.0494 -5.4869 3  822.8827556  59516140469 366 3    69 367 3      C-13-H3C(O)CH3
  563774.3248  0.0494 -5.4869 3  822.8827556  59516140469 466 3    69 267 3      C-13-H3C(O)CH3
  563780.0996  0.0029 -3.2713 3  258.2645488 -5951614043024 6 0    2923 7 0      C-13-H3C(O)CH3
  563780.0996  0.0029 -3.2713 3  258.2645488 -5951614043024 7 0    2923 6 0      C-13-H3C(O)CH3
  563791.5682  0.0467 -5.6198 3  795.0650428  595161404533716 4    523814 4      C-13-H3C(O)CH3
  563812.8983  0.0572 -5.9547 3  989.4717936  595161404584513 1    574611 1      C-13-H3C(O)CH3
  563817.9244  0.0741 -5.9154 3  865.1135B28  59516140470 466 1    70 367 1      C-13-H3C(O)CH3
  563817.9244  0.0741 -5.9154 3  865.1135B28  59516140470 566 1    70 467 1      C-13-H3C(O)CH3
  563817.9244  0.0741 -5.1965 3  865.1135B28  59516140470 466 1    70 467 1      C-13-H3C(O)CH3
  563817.9244  0.0741 -5.1965 3  865.1135B28  59516140470 566 1    70 367 1      C-13-H3C(O)CH3
  563820.2645  0.0726 -5.1747 3  865.1132B28  59516140470 466 2    70 467 2      C-13-H3C(O)CH3
  563820.2645  0.0726 -5.1747 3  865.1132B28  59516140470 566 2    70 367 2      C-13-H3C(O)CH3
  563820.2645  0.0726 -6.0514 3  865.1132B28  59516140470 566 2    70 467 2      C-13-H3C(O)CH3
  563820.2645  0.0726 -6.0514 3  865.1132B28  59516140470 466 2    70 367 2      C-13-H3C(O)CH3
  563824.2902  0.0032 -3.2715 3  258.2255488 -5951614043024 7 2    2923 7 2      C-13-H3C(O)CH3
  563828.6678  0.0043 -3.7867 3  264.5328252  5951614043122 9 4    3021 9 4      C-13-H3C(O)CH3
  563840.4874  0.0030 -3.2713 3  258.2095488 -5951614043024 7 1    2923 7 1      C-13-H3C(O)CH3
  563860.8549  0.2306 -6.0941 3 1653.0676E00  595161404872167 1    871968 1      C-13-H3C(O)CH3
  563860.8549  0.2306 -6.0941 3 1653.0676E00  595161404872067 1    872068 1      C-13-H3C(O)CH3
  563863.0719  0.0570 -5.9549 3  989.4559936  595161404584514 2    574612 2      C-13-H3C(O)CH3
  563864.9712  0.2055 -6.3276 3 1653.0458E00  595161404872067 0    871968 0      C-13-H3C(O)CH3
  563864.9712  0.2055 -6.3276 3 1653.0458E00  595161404872167 0    872068 0      C-13-H3C(O)CH3
  563868.0655  0.1505 -6.3940 3 1653.0912700  595161404872067 3    872068 3      C-13-H3C(O)CH3
  563868.0655  0.1505 -6.3940 3 1653.0912700  595161404872167 3    871968 3      C-13-H3C(O)CH3
  563872.1226  0.2248 -6.1391 3 1653.0694E00  595161404872167 2    871968 2      C-13-H3C(O)CH3
  563872.1226  0.2248 -6.1391 3 1653.0694E00  595161404872167 2    872068 2      C-13-H3C(O)CH3
  563876.3623  0.0157 -5.0513 3  651.4066792  595161404492921 0    483018 0      C-13-H3C(O)CH3
  563885.8532  0.0036 -3.5725 3  258.1704244  5951614043024 7 4    2923 7 4      C-13-H3C(O)CH3
  563890.0055  0.0625 -5.9546 3  989.4800936  595161404584513 2    574611 2      C-13-H3C(O)CH3
  563894.7941  0.0035 -3.5251 3  264.5493504 -5951614043122 9 1    3021 9 1      C-13-H3C(O)CH3
  563913.8217  0.0053 -3.9069 3  264.5261252  5951614043122 9 3    3021 9 3      C-13-H3C(O)CH3
  563915.4918  0.0764 -6.2561 3  989.4738468  595161404584514 4    574612 4      C-13-H3C(O)CH3
  563921.4176  0.0036 -3.5938 3  467.4333712  595161404441728 0    431627 0      C-13-H3C(O)CH3
  563921.4176  0.0036 -3.5938 3  467.4333712  595161404441628 0    431727 0      C-13-H3C(O)CH3
  563926.5004  0.0176 -5.0487 3  651.3968792  595161404492921 1    483018 1      C-13-H3C(O)CH3
  563930.3511  0.0048 -3.5937 3  467.4064712  595161404441728 1    431627 1      C-13-H3C(O)CH3
  563930.3511  0.0048 -3.5937 3  467.4064712  595161404441628 1    431727 1      C-13-H3C(O)CH3
  563934.6606  0.0049 -3.5937 3  467.4050712  595161404441628 2    431727 2      C-13-H3C(O)CH3
  563934.6606  0.0049 -3.5937 3  467.4050712  595161404441728 2    431627 2      C-13-H3C(O)CH3
  563940.3333  0.0033 -4.0626 3  264.5510504 -5951614043122 9 2    3021 9 2      C-13-H3C(O)CH3
  563941.3590  0.0787 -6.2558 3  989.4980468  595161404584513 3    574611 3      C-13-H3C(O)CH3
  563943.5839  0.0049 -3.8947 3  467.3781356  595161404441628 4    431727 4      C-13-H3C(O)CH3
  563943.5839  0.0049 -3.8947 3  467.3781356  595161404441728 4    431627 4      C-13-H3C(O)CH3
  563943.6156  0.0049 -3.8947 3  467.3781356  595161404441728 3    431627 3      C-13-H3C(O)CH3
  563943.6156  0.0049 -3.8947 3  467.3781356  595161404441628 3    431727 3      C-13-H3C(O)CH3
  563971.9633  0.0204 -5.3466 3  651.3842396  595161404492921 4    483018 4      C-13-H3C(O)CH3
  563974.5024  0.0187 -5.0468 3  651.3924792  595161404492921 2    483018 2      C-13-H3C(O)CH3
  563994.5986  0.0067 -4.6153 3  107.0396376  59516140423 617 2    22 518 2      C-13-H3C(O)CH3
  563994.5987  0.0067 -4.6153 3  107.0396376  59516140423 717 2    22 418 2      C-13-H3C(O)CH3
  564004.5638  0.0067 -4.6154 3  107.0403376  59516140423 617 1    22 518 1      C-13-H3C(O)CH3
  564004.5639  0.0067 -4.6154 3  107.0403376  59516140423 717 1    22 418 1      C-13-H3C(O)CH3
  564006.2781  0.0683 -6.0245 3  781.2557548  59516140468 366 3    68 267 3      C-13-H3C(O)CH3
  564006.2781  0.0683 -6.0245 3  781.2557548  59516140468 266 3    68 167 3      C-13-H3C(O)CH3
  564006.2781  0.0683 -5.7171 3  781.2557548  59516140468 266 3    68 267 3      C-13-H3C(O)CH3
  564006.2781  0.0683 -5.7171 3  781.2557548  59516140468 366 3    68 167 3      C-13-H3C(O)CH3
  564006.4373  0.0689 -5.7162 3  781.2558548  59516140468 266 4    68 167 4      C-13-H3C(O)CH3
  564006.4373  0.0689 -5.7162 3  781.2558548  59516140468 366 4    68 267 4      C-13-H3C(O)CH3
  564006.4373  0.0689 -6.0264 3  781.2558548  59516140468 266 4    68 267 4      C-13-H3C(O)CH3
  564006.4373  0.0689 -6.0264 3  781.2558548  59516140468 366 4    68 167 4      C-13-H3C(O)CH3
  564010.0147  0.0250 -4.8539 3  631.8493776  595161404483019 0    473116 0      C-13-H3C(O)CH3
  564021.6643  0.0468 -5.5461 3  868.1454888  595161404554016 0    544113 0      C-13-H3C(O)CH3
  564021.8635  0.0468 -5.5461 3  868.1454888  595161404554015 0    544114 0      C-13-H3C(O)CH3
  564051.3945  0.0747 -6.2561 3  989.4847468  595161404584514 3    574612 3      C-13-H3C(O)CH3
  564067.0380  0.0479 -5.5460 3  868.1858888  595161404554016 2    544113 2      C-13-H3C(O)CH3
  564067.1035  0.0213 -5.3440 3  651.3813396  595161404492921 3    483018 3      C-13-H3C(O)CH3
  564077.7517  0.0834 -6.2558 3  989.5088468  595161404584513 4    574611 4      C-13-H3C(O)CH3
  564100.0629  0.0160 -6.3803 3  103.2026156  5951614041918 2 3    1815 3 3      C-13-H3C(O)CH3
  564107.6250  0.0054 -3.9062 3  264.5035252  595161404312210 3    302110 3      C-13-H3C(O)CH3
  564128.4739  0.0127 -5.7566 3  137.6977188  5951614042316 8 4    221310 4      C-13-H3C(O)CH3
  564135.7244  0.0423 -5.2436 3  865.1260B28  59516140470 566 0    70 367 0      C-13-H3C(O)CH3
  564135.7244  0.0423 -5.2436 3  865.1260B28  59516140470 466 0    70 467 0      C-13-H3C(O)CH3
  564135.7244  0.0423 -5.7261 3  865.1260B28  59516140470 466 0    70 367 0      C-13-H3C(O)CH3
  564135.7244  0.0423 -5.7261 3  865.1260B28  59516140470 566 0    70 467 0      C-13-H3C(O)CH3
  564137.4578  0.0128 -5.3150 3  129.6679360  5951614042217 5 1    2114 7 1      C-13-H3C(O)CH3
  564142.9529  0.0489 -5.5461 3  868.1720888  595161404554016 1    544114 1      C-13-H3C(O)CH3
  564163.0802  0.0035 -3.5249 3  264.5206504 -595161404312210 1    302110 1      C-13-H3C(O)CH3
  564167.0416  0.0070 -4.0307 3  187.1470440  595161404271512 2    261413 2      C-13-H3C(O)CH3
  564188.5261  0.0526 -5.8470 3  868.2124444  595161404554016 4    544114 4      C-13-H3C(O)CH3
  564194.3427  0.0043 -3.7868 3  264.4967252  595161404312210 4    302110 4      C-13-H3C(O)CH3
  564194.7701  0.1002 -5.7945 3  740.2214540  59516140467 266 3    67 167 3      C-13-H3C(O)CH3
  564194.7701  0.1002 -5.7945 3  740.2214540  59516140467 166 3    67 067 3      C-13-H3C(O)CH3
  564196.3612  0.1004 -6.2566 3  740.2214540  59516140467 266 4    67 167 4      C-13-H3C(O)CH3
  564196.3612  0.1004 -5.9208 3  740.2214540  59516140467 166 4    67 167 4      C-13-H3C(O)CH3
  564196.3612  0.1004 -6.2566 3  740.2214540  59516140467 166 4    67 067 4      C-13-H3C(O)CH3
  564196.3612  0.1004 -5.9208 3  740.2214540  59516140467 266 4    67 067 4      C-13-H3C(O)CH3
  564200.8040  0.0166 -5.5641 3  129.6799180  5951614042217 5 4    2114 7 4      C-13-H3C(O)CH3
  564201.6179  0.0181 -6.3855 3  103.2711156  5951614041918 1 4    1815 3 4      C-13-H3C(O)CH3
  564202.9059  0.0099 -5.0958 3  129.6556360  5951614042217 6 0    2114 7 0      C-13-H3C(O)CH3
  564212.8266  0.0464 -5.5461 3  868.1763888  595161404554015 1    544113 1      C-13-H3C(O)CH3
  564231.9484  0.0092 -4.3317 3  187.1424220  595161404271512 3    261413 3      C-13-H3C(O)CH3
  564235.9467  0.0033 -4.0633 3  264.5331504  595161404312210 2    302110 2      C-13-H3C(O)CH3
  564245.1043  0.0096 -4.3317 3  187.1425220  595161404271512 4    261413 4      C-13-H3C(O)CH3
  564257.6529  0.0532 -5.8470 3  868.2168444  595161404554015 3    544113 3      C-13-H3C(O)CH3
  564273.4389  0.0657 -5.2217 3  822.8781B12  59516140469 366 1    69 267 1      C-13-H3C(O)CH3
  564273.4389  0.0657 -5.9979 3  822.8781B12  59516140469 366 1    69 367 1      C-13-H3C(O)CH3
  564273.4389  0.0657 -5.9979 3  822.8781B12  59516140469 466 1    69 267 1      C-13-H3C(O)CH3
  564273.4389  0.0657 -5.2217 3  822.8781B12  59516140469 466 1    69 367 1      C-13-H3C(O)CH3
  564275.1028  0.0610 -5.1659 3  822.8777B12  59516140469 466 2    69 267 2      C-13-H3C(O)CH3
  564275.1028  0.0610 -5.1659 3  822.8777B12  59516140469 366 2    69 367 2      C-13-H3C(O)CH3
  564290.6498  0.0110 -5.5630 3  121.9319180  5951614042214 8 3    211111 3      C-13-H3C(O)CH3
  564292.1834  0.0062 -4.0306 3  187.1560440  595161404271512 0    261413 0      C-13-H3C(O)CH3
  564294.4777  0.0164 -6.3760 3  103.1278156  5951614041918 2 4    1815 4 4      C-13-H3C(O)CH3
  564301.8962  0.0089 -5.2563 3  121.9178360  5951614042214 8 2    211111 2      C-13-H3C(O)CH3
  564317.3379  0.0463 -5.5461 3  868.1826888  595161404554015 2    544114 2      C-13-H3C(O)CH3
  564337.8711  0.0113 -5.5650 3  121.9319180  5951614042214 8 4    211111 4      C-13-H3C(O)CH3
  564361.0369  0.0073 -4.0307 3  187.1514440  595161404271512 1    261413 1      C-13-H3C(O)CH3
  564394.0710  0.0167 -6.3814 3  103.1963156  5951614041918 1 3    1815 4 3      C-13-H3C(O)CH3
  564406.2552  0.0129 -5.3370 3  129.6635360  5951614042217 5 2    2114 7 2      C-13-H3C(O)CH3
  564414.9139  0.0064 -4.6143 3  107.0059376  59516140423 617 0    22 518 0      C-13-H3C(O)CH3
  564414.9140  0.0064 -4.6143 3  107.0059376  59516140423 717 0    22 418 0      C-13-H3C(O)CH3
  564438.5266  0.0525 -5.8472 3  868.2092444  595161404554016 3    544114 3      C-13-H3C(O)CH3
  564448.4522  0.0030 -3.4184 3  264.5541504 -5951614043122 9 0    302110 0      C-13-H3C(O)CH3
  564452.8654  0.0077 -5.2533 3  121.9069360  5951614042214 8 0    211111 0      C-13-H3C(O)CH3
  564462.8586  0.0087 -5.2600 3  121.9210360  5951614042214 8 1    211111 1      C-13-H3C(O)CH3
  564468.2113  0.2058 -6.0140 3 1600.9606D84  595161404861967 0    861968 0      C-13-H3C(O)CH3
  564468.2113  0.2058 -6.0140 3 1600.9606D84  595161404862067 0    861868 0      C-13-H3C(O)CH3
  564477.0691  0.0118 -3.5302 3  264.5331504  5951614043122 9 2    302110 2      C-13-H3C(O)CH3
  564484.4143  0.2394 -6.0089 3 1600.9817D84  595161404862067 1    861868 1      C-13-H3C(O)CH3
  564484.4143  0.2394 -6.0089 3 1600.9817D84  595161404861967 1    861968 1      C-13-H3C(O)CH3
  564495.0350  0.2344 -6.0903 3 1600.9829D84  595161404861967 2    861968 2      C-13-H3C(O)CH3
  564495.0350  0.2344 -6.0903 3 1600.9829D84  595161404862067 2    861868 2      C-13-H3C(O)CH3
  564509.5668  0.0597 -5.8472 3  868.2135444  595161404554015 4    544113 4      C-13-H3C(O)CH3
  564511.3177  0.1473 -6.3062 3 1601.0040692  595161404861967 3    861968 3      C-13-H3C(O)CH3
  564511.3177  0.1473 -6.3062 3 1601.0040692  595161404862067 3    861868 3      C-13-H3C(O)CH3
  564511.4133  0.1473 -6.3292 3 1601.0040692  595161404862067 4    861868 4      C-13-H3C(O)CH3
  564511.4133  0.1473 -6.3292 3 1601.0040692  595161404861967 4    861968 4      C-13-H3C(O)CH3
  564514.1299  0.0034 -3.7809 3  532.8597428 -59516140453 647 3    52 646 3      C-13-H3C(O)CH3
  564514.1299  0.0034 -3.7658 3  532.8597428 -59516140453 747 4    52 646 4      C-13-H3C(O)CH3
  564514.1299  0.0034 -3.7658 3  532.8597428 -59516140453 647 4    52 746 4      C-13-H3C(O)CH3
  564514.1299  0.0034 -3.7809 3  532.8597428 -59516140453 747 3    52 746 3      C-13-H3C(O)CH3
  564514.1299  0.0034 -5.0736 3  532.8597428 -59516140453 747 3    52 646 3      C-13-H3C(O)CH3
  564514.1299  0.0034 -5.0736 3  532.8597428 -59516140453 647 3    52 746 3      C-13-H3C(O)CH3
  564514.1338  0.0034 -5.5879 3  532.8597428  59516140453 647 4    52 646 4      C-13-H3C(O)CH3
  564514.1338  0.0034 -5.5879 3  532.8597428  59516140453 747 4    52 746 4      C-13-H3C(O)CH3
  564538.8191  0.0049 -3.8007 3  532.8822856 -59516140453 647 1    52 746 1      C-13-H3C(O)CH3
  564538.8191  0.0049 -3.7217 3  532.8822856 -59516140453 647 1    52 646 1      C-13-H3C(O)CH3
  564538.8191  0.0047 -3.8863 3  532.8818856 -59516140453 647 2    52 746 2      C-13-H3C(O)CH3
  564538.8191  0.0049 -3.8007 3  532.8822856 -59516140453 747 1    52 646 1      C-13-H3C(O)CH3
  564538.8191  0.0047 -3.8863 3  532.8818856 -59516140453 747 2    52 646 2      C-13-H3C(O)CH3
  564538.8191  0.0047 -3.6613 3  532.8818856 -59516140453 747 2    52 746 2      C-13-H3C(O)CH3
  564538.8191  0.0049 -3.7217 3  532.8822856 -59516140453 747 1    52 746 1      C-13-H3C(O)CH3
  564538.8191  0.0047 -3.6613 3  532.8818856 -59516140453 647 2    52 646 2      C-13-H3C(O)CH3
  564563.2636  0.0033 -3.4609 3  532.9043856 -59516140453 747 0    52 746 0      C-13-H3C(O)CH3
  564563.2636  0.0033 -3.4609 3  532.9043856 -59516140453 647 0    52 646 0      C-13-H3C(O)CH3
  564563.2636  0.0033 -5.6961 3  532.9043856 -59516140453 647 0    52 746 0      C-13-H3C(O)CH3
  564563.2636  0.0033 -5.6961 3  532.9043856 -59516140453 747 0    52 646 0      C-13-H3C(O)CH3
  564590.0819  0.0238 -4.1779 3  264.5035252  5951614043122 9 3    302110 3      C-13-H3C(O)CH3
  564597.8667  0.2437 -6.3783 3 1014.5543984  595161404613526 1    613229 1      C-13-H3C(O)CH3
  564633.1434  0.0099 -5.8597 3   83.0086180  59516140422 319 3    21 120 3      C-13-H3C(O)CH3
  564633.1434  0.0099 -5.8341 3   83.0086180  59516140422 319 3    21 220 3      C-13-H3C(O)CH3
  564633.1434  0.0099 -5.8952 3   83.0086180  59516140422 419 3    21 120 3      C-13-H3C(O)CH3
  564633.1434  0.0099 -5.8031 3   83.0086180  59516140422 419 3    21 220 3      C-13-H3C(O)CH3
  564633.6316  0.0117 -5.5660 3   83.0086180  59516140422 419 4    21 120 4      C-13-H3C(O)CH3
  564633.6316  0.0117 -5.5573 3   83.0086180  59516140422 319 4    21 220 4      C-13-H3C(O)CH3
  564658.1398  0.3498 -6.3784 3 1014.5559984  595161404613526 2    613229 2      C-13-H3C(O)CH3
  564731.7368  0.0919 -5.3191 3  781.2257A96  59516140468 266 2    68 267 2      C-13-H3C(O)CH3
  564731.7368  0.0919 -6.0220 3  781.2257A96  59516140468 266 2    68 167 2      C-13-H3C(O)CH3
  564731.7368  0.0919 -6.0220 3  781.2257A96  59516140468 366 2    68 267 2      C-13-H3C(O)CH3
  564731.7368  0.0919 -5.3191 3  781.2257A96  59516140468 366 2    68 167 2      C-13-H3C(O)CH3
  564732.2134  0.0972 -5.2414 3  781.2261A96  59516140468 266 1    68 167 1      C-13-H3C(O)CH3
  564732.2134  0.0972 -5.2414 3  781.2261A96  59516140468 366 1    68 267 1      C-13-H3C(O)CH3
  564745.7365  0.0036 -3.5782 3  478.3777728  595161404451530 0    441629 0      C-13-H3C(O)CH3
  564745.7365  0.0036 -6.0785 3  478.3777728  595161404451530 0    441529 0      C-13-H3C(O)CH3
  564745.7365  0.0036 -6.0618 3  478.3777728  595161404451630 0    441629 0      C-13-H3C(O)CH3
  564745.7365  0.0036 -3.5784 3  478.3777728  595161404451630 0    441529 0      C-13-H3C(O)CH3
  564753.6454  0.0050 -6.2820 3  478.3503728  595161404451630 1    441629 1      C-13-H3C(O)CH3
  564753.6454  0.0050 -3.5780 3  478.3503728  595161404451630 1    441529 1      C-13-H3C(O)CH3
  564753.6454  0.0050 -3.5777 3  478.3503728  595161404451530 1    441629 1      C-13-H3C(O)CH3
  564753.6454  0.0050 -6.1698 3  478.3503728  595161404451530 1    441529 1      C-13-H3C(O)CH3
  564756.0578  0.0156 -4.0844 3  264.5206504  5951614043122 9 1    302110 1      C-13-H3C(O)CH3
  564756.9139  0.0050 -3.5770 3  478.3491728  595161404451630 2    441529 2      C-13-H3C(O)CH3
  564756.9139  0.0050 -3.5774 3  478.3491728  595161404451530 2    441629 2      C-13-H3C(O)CH3
  564758.2302  0.0409 -5.2017 3  627.2692388  595161404482920 4    473017 4      C-13-H3C(O)CH3
  564764.8124  0.0049 -6.2703 3  478.3215364  595161404451630 4    441629 4      C-13-H3C(O)CH3
  564764.8124  0.0049 -3.8795 3  478.3215364  595161404451630 4    441529 4      C-13-H3C(O)CH3
  564764.8124  0.0049 -6.2825 3  478.3215364  595161404451530 4    441529 4      C-13-H3C(O)CH3
  564764.8124  0.0049 -3.8796 3  478.3215364  595161404451530 4    441629 4      C-13-H3C(O)CH3
  564764.8447  0.0049 -3.8779 3  478.3215364  595161404451530 3    441629 3      C-13-H3C(O)CH3
  564764.8447  0.0049 -3.8790 3  478.3215364  595161404451630 3    441529 3      C-13-H3C(O)CH3
  564773.4910  0.0463 -6.0826 3  822.8731B12  59516140469 466 0    69 267 0      C-13-H3C(O)CH3
  564773.4910  0.0463 -5.2079 3  822.8731B12  59516140469 466 0    69 367 0      C-13-H3C(O)CH3
  564773.4910  0.0463 -6.0826 3  822.8731B12  59516140469 366 0    69 367 0      C-13-H3C(O)CH3
  564773.4910  0.0463 -5.2079 3  822.8731B12  59516140469 366 0    69 267 0      C-13-H3C(O)CH3
  564870.5045  0.0148 -6.0834 3  103.2385312  5951614041918 1 1    1815 3 1      C-13-H3C(O)CH3
  564889.3566  0.0086 -5.7088 3  137.6934376  5951614042316 8 1    221310 1      C-13-H3C(O)CH3
  564908.5145  0.0283 -4.5691 3  264.4967252  5951614043122 9 4    302110 4      C-13-H3C(O)CH3
  564941.8642  0.1012 -6.3019 3  801.6026856  595161404533815 0    533518 0      C-13-H3C(O)CH3
  564979.5971  0.0115 -6.0731 3  455.9003680  595161404422022 0    421725 0      C-13-H3C(O)CH3
  564983.9414  0.0115 -6.0731 3  455.9003680  595161404422122 0    421825 0      C-13-H3C(O)CH3
  564983.9985  0.0257 -5.1889 3  627.2623388  595161404482920 3    473017 3      C-13-H3C(O)CH3
  565008.5433  0.0308 -4.8933 3  627.2692776  595161404482920 2    473017 2      C-13-H3C(O)CH3
  565025.7702  0.0154 -6.0808 3  103.1765312  5951614041918 2 2    1815 4 2      C-13-H3C(O)CH3
  565038.5552  0.0140 -6.0734 3  455.8723680  595161404422022 2    421725 2      C-13-H3C(O)CH3
  565043.2070  0.0140 -6.0734 3  455.8723680  595161404422122 2    421825 2      C-13-H3C(O)CH3
  565051.8724  0.2028 -5.9200 3 1549.4487D68  595161404851867 0    851868 0      C-13-H3C(O)CH3
  565051.8724  0.2028 -5.9173 3 1549.4487D68  595161404851967 0    851768 0      C-13-H3C(O)CH3
  565059.7125  0.0155 -6.0793 3  103.1638312  5951614041918 2 1    1815 4 1      C-13-H3C(O)CH3
  565069.6812  0.0126 -6.0722 3  455.8741680  595161404422022 1    421725 1      C-13-H3C(O)CH3
  565074.1834  0.0126 -6.0722 3  455.8741680  595161404422122 1    421825 1      C-13-H3C(O)CH3
  565079.3159  0.2502 -6.3785 3 1014.5442984  595161404613526 0    613229 0      C-13-H3C(O)CH3
  565090.3530  0.2420 -6.4235 3 1549.4681D68  595161404851867 1    851868 1      C-13-H3C(O)CH3
  565090.3530  0.2420 -6.4235 3 1549.4681D68  595161404851967 1    851768 1      C-13-H3C(O)CH3
  565090.3530  0.2420 -6.0787 3 1549.4681D68  595161404851867 1    851768 1      C-13-H3C(O)CH3
  565090.3530  0.2420 -6.0787 3 1549.4681D68  595161404851967 1    851868 1      C-13-H3C(O)CH3
  565099.8942  0.2381 -6.3432 3 1549.4689D68  595161404851967 2    851868 2      C-13-H3C(O)CH3
  565099.8942  0.2381 -6.1205 3 1549.4689D68  595161404851867 2    851868 2      C-13-H3C(O)CH3
  565099.8942  0.2381 -6.3432 3 1549.4689D68  595161404851867 2    851768 2      C-13-H3C(O)CH3
  565099.8942  0.2381 -6.1205 3 1549.4689D68  595161404851967 2    851768 2      C-13-H3C(O)CH3
  565120.2327  0.0183 -4.8923 3  627.2680776  595161404482920 1    473017 1      C-13-H3C(O)CH3
  565128.8605  0.0146 -6.3733 3  455.8461340  595161404422022 3    421725 3      C-13-H3C(O)CH3
  565128.9340  0.0146 -6.3733 3  455.8460340  595161404422022 4    421725 4      C-13-H3C(O)CH3
  565130.5367  0.0139 -6.0860 3  103.2449312  5951614041918 1 2    1815 3 2      C-13-H3C(O)CH3
  565133.6833  0.0146 -6.3733 3  455.8461340  595161404422122 3    421825 3      C-13-H3C(O)CH3
  565133.7392  0.0146 -6.3733 3  455.8460340  595161404422122 4    421825 4      C-13-H3C(O)CH3
  565138.4755  0.1430 -6.2209 3 1549.4882684  595161404851867 3    851868 3      C-13-H3C(O)CH3
  565138.4755  0.1430 -6.2209 3 1549.4882684  595161404851967 3    851768 3      C-13-H3C(O)CH3
  565138.6019  0.1430 -6.2479 3 1549.4883684  595161404851967 4    851768 4      C-13-H3C(O)CH3
  565138.6019  0.1430 -6.2479 3 1549.4883684  595161404851867 4    851868 4      C-13-H3C(O)CH3
  565155.6047  0.1079 -6.3515 3  801.6341856  595161404533815 1    533518 1      C-13-H3C(O)CH3
  565191.9419  0.1745 -5.9531 3  740.1574A80  59516140467 166 2    67 067 2      C-13-H3C(O)CH3
  565191.9419  0.1745 -5.6177 3  740.1574A80  59516140467 266 2    67 067 2      C-13-H3C(O)CH3
  565191.9419  0.1745 -5.6177 3  740.1574A80  59516140467 166 2    67 167 2      C-13-H3C(O)CH3
  565191.9419  0.1745 -5.9531 3  740.1574A80  59516140467 266 2    67 167 2      C-13-H3C(O)CH3
  565196.6807  0.1776 -5.4828 3  740.1577A80  59516140467 166 1    67 067 1      C-13-H3C(O)CH3
  565196.6807  0.1776 -5.4911 3  740.1577A80  59516140467 266 1    67 167 1      C-13-H3C(O)CH3
  565198.8162  0.0127 -5.3533 3   82.9481360  59516140422 319 2    21 220 2      C-13-H3C(O)CH3
  565198.8162  0.0127 -5.7890 3   82.9481360  59516140422 419 2    21 220 2      C-13-H3C(O)CH3
  565198.8162  0.0127 -5.8929 3   82.9481360  59516140422 319 2    21 120 2      C-13-H3C(O)CH3
  565198.8162  0.0127 -5.3886 3   82.9481360  59516140422 419 2    21 120 2      C-13-H3C(O)CH3
  565201.9439  0.0129 -5.2514 3   82.9486360  59516140422 319 1    21 220 1      C-13-H3C(O)CH3
  565201.9439  0.0129 -5.2514 3   82.9486360  59516140422 419 1    21 120 1      C-13-H3C(O)CH3
  565212.4492  0.1152 -6.2457 3  915.3890936  595161404583425 2    583128 2      C-13-H3C(O)CH3
  565223.2458  0.1093 -6.2455 3  915.3883936  595161404583425 1    583128 1      C-13-H3C(O)CH3
  565226.0701  0.0077 -5.8872 3  137.6895376  5951614042316 8 2    221310 2      C-13-H3C(O)CH3
  565227.3515  0.0360 -6.4312 3  570.3181712  5951614044435 9 2    443212 2      C-13-H3C(O)CH3
  565227.4310  0.0882 -6.3365 3  801.6438856  595161404533815 2    533518 2      C-13-H3C(O)CH3
  565257.1873  0.0159 -4.8913 3  627.2714776  595161404482920 0    473017 0      C-13-H3C(O)CH3
  565260.8304  0.1064 -6.2459 3  915.3816936  595161404583425 0    583128 0      C-13-H3C(O)CH3
  565416.7588  0.0085 -6.4271 3   86.0660156  5951614041912 8 4    18 711 4      C-13-H3C(O)CH3
  565455.4143  0.0334 -6.4322 3  570.2726712  595161404443510 1    443213 1      C-13-H3C(O)CH3
  565456.3217  0.0738 -5.3689 3  781.1960A96  59516140468 366 0    68 267 0      C-13-H3C(O)CH3
  565456.3217  0.0738 -5.8271 3  781.1960A96  59516140468 366 0    68 167 0      C-13-H3C(O)CH3
  565456.3217  0.0738 -5.8271 3  781.1960A96  59516140468 266 0    68 267 0      C-13-H3C(O)CH3
  565456.3217  0.0738 -5.3689 3  781.1960A96  59516140468 266 0    68 167 0      C-13-H3C(O)CH3
  565471.0698  0.0939 -6.3238 3  725.7429824  595161404513418 1    503515 1      C-13-H3C(O)CH3
  565490.7693  0.0065 -6.4265 3   86.0660156  5951614041912 8 3    18 711 3      C-13-H3C(O)CH3
  565496.8126  0.0357 -5.6112 3  631.7961776  595161404483019 2    473117 2      C-13-H3C(O)CH3
  565541.0214  0.0328 -6.4336 3  570.2886712  5951614044435 9 0    443212 0      C-13-H3C(O)CH3
  565543.8601  0.0328 -6.4336 3  570.2885712  595161404443510 0    443213 0      C-13-H3C(O)CH3
  565545.3849  0.0364 -6.4311 3  570.3008712  5951614044435 9 1    443212 1      C-13-H3C(O)CH3
  565563.4888  0.0266 -5.8232 3  631.7942776  595161404483019 1    473117 1      C-13-H3C(O)CH3
  565600.8994  0.0333 -6.4347 3  570.2857712  595161404443510 2    443213 2      C-13-H3C(O)CH3
  565617.2363  0.1956 -5.8411 3 1498.5111D52  595161404841767 0    841668 0      C-13-H3C(O)CH3
  565617.2363  0.1956 -5.8411 3 1498.5111D52  595161404841867 0    841768 0      C-13-H3C(O)CH3
  565629.1950  0.0033 -4.0667 3  538.2520436  59516140454 649 4    53 548 4      C-13-H3C(O)CH3
  565629.1950  0.0033 -4.0325 3  538.2520436  59516140454 549 4    53 548 4      C-13-H3C(O)CH3
  565629.2304  0.0033 -3.7787 3  538.2520436 -59516140454 549 3    53 648 3      C-13-H3C(O)CH3
  565629.2304  0.0033 -4.0667 3  538.2520436 -59516140454 549 4    53 648 4      C-13-H3C(O)CH3
  565629.2304  0.0033 -4.0325 3  538.2520436 -59516140454 649 4    53 648 4      C-13-H3C(O)CH3
  565629.2304  0.0033 -4.9177 3  538.2520436 -59516140454 649 3    53 648 3      C-13-H3C(O)CH3
  565629.2425  0.0033 -4.9177 3  538.2520436  59516140454 549 3    53 548 3      C-13-H3C(O)CH3
  565629.2425  0.0033 -3.7787 3  538.2520436  59516140454 649 3    53 548 3      C-13-H3C(O)CH3
  565655.6506  0.0036 -3.5681 3  488.7473744  595161404461532 0    451431 0      C-13-H3C(O)CH3
  565655.6506  0.0036 -3.5911 3  488.7473744  595161404461432 0    451531 0      C-13-H3C(O)CH3
  565655.6506  0.0036 -4.7550 3  488.7473744  595161404461532 0    451531 0      C-13-H3C(O)CH3
  565655.6506  0.0036 -5.4334 3  488.7473744  595161404461432 0    451431 0      C-13-H3C(O)CH3
  565656.9166  0.0045 -3.5620 3  538.2694872  59516140454 649 1    53 548 1      C-13-H3C(O)CH3
  565656.9166  0.0045 -3.5620 3  538.2694872  59516140454 549 1    53 648 1      C-13-H3C(O)CH3
  565657.1837  0.0043 -3.4519 3  538.2690872 -59516140454 649 2    53 648 2      C-13-H3C(O)CH3
  565657.1837  0.0045 -4.0812 3  538.2694872 -59516140454 549 1    53 548 1      C-13-H3C(O)CH3
  565657.1837  0.0045 -4.0812 3  538.2694872 -59516140454 649 1    53 648 1      C-13-H3C(O)CH3
  565657.1837  0.0043 -3.4519 3  538.2690872 -59516140454 549 2    53 548 2      C-13-H3C(O)CH3
  565657.2408  0.0043 -5.4192 3  538.2690872  59516140454 549 2    53 648 2      C-13-H3C(O)CH3
  565657.2408  0.0043 -5.4192 3  538.2690872  59516140454 649 2    53 548 2      C-13-H3C(O)CH3
  565661.7799  0.0052 -3.6231 3  488.7192744  595161404461532 1    451531 1      C-13-H3C(O)CH3
  565661.7799  0.0052 -4.4456 3  488.7192744  595161404461532 1    451431 1      C-13-H3C(O)CH3
  565661.7799  0.0052 -4.4456 3  488.7192744  595161404461432 1    451531 1      C-13-H3C(O)CH3
  565661.7799  0.0052 -3.6231 3  488.7192744  595161404461432 1    451431 1      C-13-H3C(O)CH3
  565664.3066  0.0052 -3.5904 3  488.7182744  595161404461532 2    451431 2      C-13-H3C(O)CH3
  565664.3066  0.0052 -3.5904 3  488.7182744  595161404461432 2    451531 2      C-13-H3C(O)CH3
  565664.3066  0.0052 -4.7632 3  488.7182744  595161404461432 2    451431 2      C-13-H3C(O)CH3
  565664.3066  0.0052 -4.7632 3  488.7182744  595161404461532 2    451531 2      C-13-H3C(O)CH3
  565670.4211  0.0049 -4.0285 3  488.6900372  595161404461432 4    451531 4      C-13-H3C(O)CH3
  565670.4211  0.0049 -4.0285 3  488.6900372  595161404461532 4    451431 4      C-13-H3C(O)CH3
  565670.4211  0.0049 -4.3627 3  488.6900372  595161404461432 4    451431 4      C-13-H3C(O)CH3
  565670.4211  0.0049 -4.3627 3  488.6900372  595161404461532 4    451531 4      C-13-H3C(O)CH3
  565670.4560  0.0049 -4.1480 3  488.6900372  595161404461532 3    451531 3      C-13-H3C(O)CH3
  565670.4560  0.0049 -4.1480 3  488.6900372  595161404461432 3    451431 3      C-13-H3C(O)CH3
  565670.4560  0.0049 -4.1810 3  488.6900372  595161404461432 3    451531 3      C-13-H3C(O)CH3
  565670.4560  0.0049 -4.1810 3  488.6900372  595161404461532 3    451431 3      C-13-H3C(O)CH3
  565679.2564  0.2374 -5.8908 3 1498.5278D52  595161404841867 1    841668 1      C-13-H3C(O)CH3
  565679.2564  0.2374 -5.8908 3 1498.5278D52  595161404841767 1    841768 1      C-13-H3C(O)CH3
  565684.8789  0.0032 -3.5261 3  538.2863872  59516140454 649 0    53 648 0      C-13-H3C(O)CH3
  565684.8789  0.0032 -4.2268 3  538.2863872  59516140454 549 0    53 648 0      C-13-H3C(O)CH3
  565684.8791  0.0032 -4.2268 3  538.2863872 -59516140454 649 0    53 548 0      C-13-H3C(O)CH3
  565684.8791  0.0032 -3.5261 3  538.2863872 -59516140454 549 0    53 548 0      C-13-H3C(O)CH3
  565687.3872  0.2347 -6.3801 3 1498.5282D52  595161404841867 2    841668 2      C-13-H3C(O)CH3
  565687.3872  0.2347 -6.3801 3 1498.5282D52  595161404841767 2    841768 2      C-13-H3C(O)CH3
  565687.3872  0.2347 -5.9780 3 1498.5282D52  595161404841867 2    841768 2      C-13-H3C(O)CH3
  565687.3872  0.2347 -5.9780 3 1498.5282D52  595161404841767 2    841668 2      C-13-H3C(O)CH3
  565690.9300  0.0393 -5.6641 3  631.7849388  595161404483019 4    473117 4      C-13-H3C(O)CH3
  565749.5287  0.1373 -6.2703 3 1498.5448676  595161404841767 3    841668 3      C-13-H3C(O)CH3
  565749.5287  0.1373 -6.2703 3 1498.5448676  595161404841867 3    841768 3      C-13-H3C(O)CH3
  565749.6862  0.1373 -6.1429 3 1498.5449676  595161404841867 4    841768 4      C-13-H3C(O)CH3
  565749.6862  0.1373 -6.1429 3 1498.5449676  595161404841767 4    841668 4      C-13-H3C(O)CH3
  565766.2915  0.0123 -5.9861 3   82.8882360  59516140422 319 0    21 120 0      C-13-H3C(O)CH3
  565766.2915  0.0123 -5.3282 3   82.8882360  59516140422 319 0    21 220 0      C-13-H3C(O)CH3
  565766.2915  0.0123 -5.9278 3   82.8882360  59516140422 419 0    21 220 0      C-13-H3C(O)CH3
  565766.2915  0.0123 -5.3421 3   82.8882360  59516140422 419 0    21 120 0      C-13-H3C(O)CH3
  565794.4569  0.0158 -6.0849 3  103.2125312  5951614041918 2 0    1815 3 0      C-13-H3C(O)CH3
  565799.5646  0.0158 -6.0849 3  103.2123312  5951614041918 1 0    1815 4 0      C-13-H3C(O)CH3
  565827.4262  0.0997 -6.3008 3  801.5731856  595161404533816 0    533519 0      C-13-H3C(O)CH3
  565843.4856  0.0066 -6.1231 3   86.0364312  5951614041912 8 2    18 711 2      C-13-H3C(O)CH3
  565846.0203  0.0064 -6.1235 3   86.0381312  5951614041912 8 1    18 711 1      C-13-H3C(O)CH3
  565916.5581  0.1065 -5.9388 3  725.7640412  595161404513418 3    503515 3      C-13-H3C(O)CH3
  565944.9285  0.3034 -6.3700 3 1069.2574A16  595161404633529 0    623626 0      C-13-H3C(O)CH3
  565998.5385  0.0671 -5.4052 3  725.7293412  595161404513418 4    503516 4      C-13-H3C(O)CH3
  566041.4298  0.0983 -6.3522 3  801.5876856  595161404533816 1    533519 1      C-13-H3C(O)CH3
  566098.2329  0.0550 -5.5481 3  725.7579412  595161404513418 3    503516 3      C-13-H3C(O)CH3
  566138.3829  0.0596 -5.1153 3  725.7234824  595161404513418 2    503516 2      C-13-H3C(O)CH3
  566165.8480  0.1840 -5.7592 3 1448.1488D36  595161404831767 0    831568 0      C-13-H3C(O)CH3
  566165.8480  0.1840 -5.7592 3 1448.1488D36  595161404831667 0    831668 0      C-13-H3C(O)CH3
  566191.4064  0.1300 -5.4603 3  740.0938A80  59516140467 266 0    67 067 0      C-13-H3C(O)CH3
  566191.4064  0.1300 -5.4603 3  740.0938A80  59516140467 166 0    67 167 0      C-13-H3C(O)CH3
  566234.8437  0.0066 -6.1207 3   86.0086312  5951614041912 8 0    18 711 0      C-13-H3C(O)CH3
  566251.7590  0.2254 -5.7897 3 1448.1617D36  595161404831667 1    831668 1      C-13-H3C(O)CH3
  566251.7590  0.2254 -5.7897 3 1448.1617D36  595161404831767 1    831568 1      C-13-H3C(O)CH3
  566258.2656  0.2240 -5.7752 3 1448.1619D36  595161404831767 2    831568 2      C-13-H3C(O)CH3
  566258.2656  0.2240 -5.7752 3 1448.1619D36  595161404831667 2    831668 2      C-13-H3C(O)CH3
  566269.6037  0.0508 -5.0990 3  725.7087824  595161404513418 0    503515 0      C-13-H3C(O)CH3
  566307.7851  0.1060 -6.3381 3  801.5898856  595161404533816 2    533519 2      C-13-H3C(O)CH3
  566327.3862  0.0511 -5.1255 3  725.7143824  595161404513418 1    503516 1      C-13-H3C(O)CH3
  566344.3172  0.1301 -6.1867 3 1448.1747668  595161404831667 3    831668 3      C-13-H3C(O)CH3
  566344.3172  0.1301 -6.1867 3 1448.1747668  595161404831767 3    831568 3      C-13-H3C(O)CH3
  566344.5047  0.1302 -6.0846 3 1448.1747668  595161404831767 4    831568 4      C-13-H3C(O)CH3
  566344.5047  0.1302 -6.0846 3 1448.1747668  595161404831667 4    831668 4      C-13-H3C(O)CH3
  566368.5160  0.0049 -6.1305 3  276.5567260  595161404322111 3    312011 3      C-13-H3C(O)CH3
  566370.4117  0.0039 -6.0401 3  276.5775520  595161404322111 1    312011 1      C-13-H3C(O)CH3
  566520.5054  0.4062 -6.3663 3 1069.2512A16  595161404633529 2    623626 2      C-13-H3C(O)CH3
  566545.4689  0.1929 -6.4201 3 1106.8136A32  595161404643529 1    633826 1      C-13-H3C(O)CH3
  566547.8947  0.0512 -5.5475 3  725.7640412  595161404513417 3    503515 3      C-13-H3C(O)CH3
  566608.9966  0.0440 -5.1149 3  725.7580824  595161404513417 2    503515 2      C-13-H3C(O)CH3
  566613.5454  0.2814 -6.3657 3 1069.2458A16  595161404633529 1    623626 1      C-13-H3C(O)CH3
  566616.6073  0.1612 -6.4198 3 1106.8144A32  595161404643529 2    633826 2      C-13-H3C(O)CH3
  566623.8965  0.0036 -3.5528 3  498.5513760  595161404471434 0    461433 0      C-13-H3C(O)CH3
  566623.8965  0.0036 -5.6347 3  498.5513760  595161404471334 0    461433 0      C-13-H3C(O)CH3
  566623.8965  0.0036 -5.6347 3  498.5513760  595161404471434 0    461333 0      C-13-H3C(O)CH3
  566623.8965  0.0036 -3.5528 3  498.5513760  595161404471334 0    461333 0      C-13-H3C(O)CH3
  566627.5850  0.0054 -5.3359 3  498.5226760 -595161404471434 1    461333 1      C-13-H3C(O)CH3
  566627.5850  0.0054 -3.5563 3  498.5226760 -595161404471334 1    461333 1      C-13-H3C(O)CH3
  566627.5850  0.0054 -3.5563 3  498.5226760 -595161404471434 1    461433 1      C-13-H3C(O)CH3
  566627.5850  0.0054 -5.3359 3  498.5226760 -595161404471334 1    461433 1      C-13-H3C(O)CH3
  566629.5933  0.0054 -4.0116 3  498.5218760  595161404471434 2    461433 2      C-13-H3C(O)CH3
  566629.5933  0.0054 -4.0116 3  498.5218760  595161404471334 2    461333 2      C-13-H3C(O)CH3
  566629.6837  0.0054 -3.7327 3  498.5218760 -595161404471334 2    461433 2      C-13-H3C(O)CH3
  566629.6837  0.0054 -3.7327 3  498.5218760 -595161404471434 2    461333 2      C-13-H3C(O)CH3
  566633.2820  0.0049 -3.8644 3  498.4929380 -595161404471434 4    461433 4      C-13-H3C(O)CH3
  566633.2820  0.0049 -5.3396 3  498.4929380 -595161404471434 4    461333 4      C-13-H3C(O)CH3
  566633.2820  0.0049 -3.9437 3  498.4930380 -595161404471434 3    461333 3      C-13-H3C(O)CH3
  566633.2820  0.0049 -4.5625 3  498.4930380 -595161404471434 3    461433 3      C-13-H3C(O)CH3
  566633.2820  0.0049 -3.8644 3  498.4929380 -595161404471334 4    461333 4      C-13-H3C(O)CH3
  566633.2820  0.0049 -5.3396 3  498.4929380 -595161404471334 4    461433 4      C-13-H3C(O)CH3
  566633.2820  0.0049 -3.9437 3  498.4930380 -595161404471334 3    461433 3      C-13-H3C(O)CH3
  566633.2820  0.0049 -4.5625 3  498.4930380 -595161404471334 3    461333 3      C-13-H3C(O)CH3
  566642.2664  0.0060 -5.1749 3  137.6980188  5951614042316 7 3    221310 3      C-13-H3C(O)CH3
  566649.0268  0.0423 -5.4046 3  725.7925412  595161404513417 4    503515 4      C-13-H3C(O)CH3
  566673.2358  0.2028 -6.4210 3 1106.8002A32  595161404643529 0    633826 0      C-13-H3C(O)CH3
  566689.8550  0.0539 -5.1250 3  725.7429824  595161404513417 1    503515 1      C-13-H3C(O)CH3
  566699.5503  0.1683 -5.7303 3 1398.3624D20  595161404821667 0    821468 0      C-13-H3C(O)CH3
  566699.5503  0.1683 -5.7303 3 1398.3624D20  595161404821567 0    821568 0      C-13-H3C(O)CH3
  566729.5695  0.0871 -5.9371 3  725.7579412  595161404513417 3    503516 3      C-13-H3C(O)CH3
  566753.2869  0.0031 -3.7369 3  543.1071444 -59516140455 451 4    54 550 4      C-13-H3C(O)CH3
  566753.2869  0.0031 -3.7375 3  543.1071444 -59516140455 451 3    54 550 3      C-13-H3C(O)CH3
  566753.2869  0.0031 -3.7375 3  543.1071444 -59516140455 551 3    54 450 3      C-13-H3C(O)CH3
  566753.2967  0.0031 -3.7369 3  543.1071444  59516140455 551 4    54 450 4      C-13-H3C(O)CH3
  566770.7717  0.0043 -4.4767 3  149.2004204  595161404251114 3    241015 3      C-13-H3C(O)CH3
  566770.8867  0.0058 -4.4767 3  149.2004204  595161404251114 4    241015 4      C-13-H3C(O)CH3
  566783.0982  0.0043 -4.2481 3  543.1170888  59516140455 551 1    54 550 1      C-13-H3C(O)CH3
  566783.0982  0.0043 -3.5085 3  543.1170888  59516140455 451 1    54 550 1      C-13-H3C(O)CH3
  566783.2456  0.0043 -4.2481 3  543.1170888 -59516140455 451 1    54 450 1      C-13-H3C(O)CH3
  566783.2456  0.0042 -4.6467 3  543.1166888 -59516140455 451 2    54 450 2      C-13-H3C(O)CH3
  566783.2456  0.0042 -3.4634 3  543.1166888 -59516140455 551 2    54 450 2      C-13-H3C(O)CH3
  566783.2456  0.0043 -3.5085 3  543.1170888 -59516140455 551 1    54 450 1      C-13-H3C(O)CH3
  566783.3019  0.0042 -4.6467 3  543.1166888  59516140455 551 2    54 550 2      C-13-H3C(O)CH3
  566783.3019  0.0042 -3.4634 3  543.1166888  59516140455 451 2    54 550 2      C-13-H3C(O)CH3
  566791.0351  0.0043 -4.4766 3  149.2004204  595161404251214 3    24 915 3      C-13-H3C(O)CH3
  566791.0414  0.0058 -4.4766 3  149.2004204  595161404251214 4    24 915 4      C-13-H3C(O)CH3
  566808.5565  0.2066 -6.3084 3 1398.3707D20  595161404821567 1    821468 1      C-13-H3C(O)CH3
  566808.5565  0.2066 -6.3084 3 1398.3707D20  595161404821667 1    821568 1      C-13-H3C(O)CH3
  566808.5565  0.2066 -5.7886 3 1398.3707D20  595161404821667 1    821468 1      C-13-H3C(O)CH3
  566808.5565  0.2066 -5.7886 3 1398.3707D20  595161404821567 1    821568 1      C-13-H3C(O)CH3
  566813.0255  0.0032 -5.1634 3  543.1264888  59516140455 551 0    54 450 0      C-13-H3C(O)CH3
  566813.0255  0.0032 -3.4440 3  543.1264888  59516140455 451 0    54 450 0      C-13-H3C(O)CH3
  566813.0305  0.0032 -3.4440 3  543.1264888 -59516140455 551 0    54 550 0      C-13-H3C(O)CH3
  566813.0305  0.0032 -5.1634 3  543.1264888 -59516140455 451 0    54 550 0      C-13-H3C(O)CH3
  566813.3517  0.2063 -5.7073 3 1398.3707D20  595161404821667 2    821568 2      C-13-H3C(O)CH3
  566813.3517  0.2063 -5.7073 3 1398.3707D20  595161404821567 2    821468 2      C-13-H3C(O)CH3
  566816.3474  0.0465 -5.7816 3  945.1271920  595161404574315 0    564412 0      C-13-H3C(O)CH3
  566816.3495  0.0465 -5.7816 3  945.1271920  595161404574314 0    564413 0      C-13-H3C(O)CH3
  566850.7496  0.0516 -5.0979 3  725.7081824  595161404513417 0    503516 0      C-13-H3C(O)CH3
  566910.5610  0.0886 -6.3983 3 1120.2588984  595161404615012 1    605110 1      C-13-H3C(O)CH3
  566922.5144  0.1217 -6.0437 3 1398.3789660  595161404821567 3    821468 3      C-13-H3C(O)CH3
  566922.5144  0.1217 -6.0437 3 1398.3789660  595161404821667 3    821568 3      C-13-H3C(O)CH3
  566922.7288  0.1218 -5.9817 3 1398.3789660  595161404821567 4    821468 4      C-13-H3C(O)CH3
  566922.7288  0.1218 -5.9817 3 1398.3789660  595161404821667 4    821568 4      C-13-H3C(O)CH3
  566950.9084  0.0524 -5.7817 3  945.1504920  595161404574315 1    564413 1      C-13-H3C(O)CH3
  566975.6654  0.0042 -4.1752 3  149.1937408  595161404251114 2    241015 2      C-13-H3C(O)CH3
  566996.5415  0.0042 -4.1751 3  149.1937408  595161404251214 2    24 915 2      C-13-H3C(O)CH3
  567002.7242  0.0494 -5.7816 3  945.1571920  595161404574314 1    564412 1      C-13-H3C(O)CH3
  567006.9115  0.0041 -4.1752 3  149.1957408  595161404251114 1    241015 1      C-13-H3C(O)CH3
  567007.4674  0.0545 -5.7815 3  945.1687920  595161404574314 2    564412 2      C-13-H3C(O)CH3
  567027.0187  0.0041 -4.1752 3  149.1957408  595161404251214 1    24 915 1      C-13-H3C(O)CH3
  567062.2883  0.0995 -6.3987 3 1120.2461984  595161404615012 2    605110 2      C-13-H3C(O)CH3
  567063.5738  0.0814 -6.3981 3 1120.2518984  595161404615012 0    6051 9 0      C-13-H3C(O)CH3
  567063.5738  0.0814 -6.3981 3 1120.2518984  595161404615011 0    605110 0      C-13-H3C(O)CH3
  567109.2681  0.0518 -5.7818 3  945.1505920  595161404574315 2    564413 2      C-13-H3C(O)CH3
  567117.5565  0.0920 -6.3986 3 1120.2770984  595161404615011 1    6051 9 1      C-13-H3C(O)CH3
  567142.2707  0.0696 -6.0827 3  945.1919460  595161404574314 3    564412 3      C-13-H3C(O)CH3
  567194.1855  0.0688 -6.0826 3  945.1986460  595161404574314 4    564412 4      C-13-H3C(O)CH3
  567211.3303  0.0043 -4.1747 3  149.1890408  595161404251114 0    241015 0      C-13-H3C(O)CH3
  567220.5185  0.1492 -5.6848 3 1349.1529D04  595161404811567 0    811368 0      C-13-H3C(O)CH3
  567220.5185  0.1492 -6.3468 3 1349.1529D04  595161404811567 0    811468 0      C-13-H3C(O)CH3
  567220.5185  0.1492 -6.3468 3 1349.1529D04  595161404811467 0    811368 0      C-13-H3C(O)CH3
  567220.5185  0.1492 -5.6848 3 1349.1529D04  595161404811467 0    811468 0      C-13-H3C(O)CH3
  567222.2196  0.0076 -4.9343 3  137.6934376  5951614042316 7 1    221310 1      C-13-H3C(O)CH3
  567232.0798  0.0043 -4.1747 3  149.1890408  595161404251214 0    24 915 0      C-13-H3C(O)CH3
  567245.5807  0.0704 -6.0829 3  945.1737460  595161404574315 4    564413 4      C-13-H3C(O)CH3
  567274.8950  0.0073 -4.9113 3  137.6895376  5951614042316 7 2    221310 2      C-13-H3C(O)CH3
  567296.4216  0.0659 -6.0829 3  945.1804460  595161404574315 3    564413 3      C-13-H3C(O)CH3
  567312.7605  0.1772 -6.3800 3  950.4344936  595161404584019 0    583722 0      C-13-H3C(O)CH3
  567322.6695  0.0950 -6.3987 3 1120.2739984  595161404615011 2    6051 9 2      C-13-H3C(O)CH3
  567326.0591  0.0195 -6.0503 3  612.0004776  595161404482523 0    482226 0      C-13-H3C(O)CH3
  567350.4176  0.1818 -5.6294 3 1349.1556D04  595161404811467 1    811368 1      C-13-H3C(O)CH3
  567350.4176  0.1818 -5.6294 3 1349.1556D04  595161404811567 1    811468 1      C-13-H3C(O)CH3
  567353.5448  0.1824 -5.6591 3 1349.1555D04  595161404811467 2    811368 2      C-13-H3C(O)CH3
  567353.5448  0.1824 -5.6591 3 1349.1555D04  595161404811567 2    811468 2      C-13-H3C(O)CH3
  567371.5215  0.0305 -6.0501 3  611.9840776  595161404482523 2    482226 2      C-13-H3C(O)CH3
  567378.8772  0.0061 -4.8673 3  137.6851376  5951614042316 7 0    221310 0      C-13-H3C(O)CH3
  567392.4414  0.0109 -5.2974 3  137.6977188  5951614042316 7 4    221310 4      C-13-H3C(O)CH3
  567403.4233  0.0211 -6.0494 3  611.9855776  595161404482523 1    482226 1      C-13-H3C(O)CH3
  567425.6961  0.0104 -3.8094 3  384.2820616  595161404382217 1    372116 1      C-13-H3C(O)CH3
  567448.8386  0.0319 -6.3502 3  611.9691388  595161404482523 3    482226 3      C-13-H3C(O)CH3
  567449.2787  0.0322 -6.3502 3  611.9690388  595161404482523 4    482226 4      C-13-H3C(O)CH3
  567459.3674  0.0088 -3.8096 3  384.3028616 -595161404382217 0    372116 0      C-13-H3C(O)CH3
  567475.8839  0.0194 -6.0501 3  612.0004776  595161404482623 0    482326 0      C-13-H3C(O)CH3
  567483.6110  0.1123 -5.9410 3 1349.1583652  595161404811467 3    811368 3      C-13-H3C(O)CH3
  567483.6110  0.1123 -5.9410 3 1349.1583652  595161404811567 3    811468 3      C-13-H3C(O)CH3
  567483.8458  0.1124 -5.9117 3 1349.1582652  595161404811467 4    811368 4      C-13-H3C(O)CH3
  567483.8458  0.1124 -5.9117 3 1349.1582652  595161404811567 4    811468 4      C-13-H3C(O)CH3
  567530.1909  0.0295 -6.0499 3  611.9841776  595161404482623 2    482326 2      C-13-H3C(O)CH3
  567546.1714  0.0791 -6.3199 3  725.7143824  595161404513417 1    503516 1      C-13-H3C(O)CH3
  567559.5648  0.0212 -6.0492 3  611.9855776  595161404482623 1    482326 1      C-13-H3C(O)CH3
  567598.4295  0.0107 -4.1105 3  384.2484308  595161404382217 4    372116 4      C-13-H3C(O)CH3
  567607.4548  0.0129 -4.1105 3  384.2482308  595161404382217 3    372116 3      C-13-H3C(O)CH3
  567614.2472  0.0309 -6.3500 3  611.9691388  595161404482623 3    482326 3      C-13-H3C(O)CH3
  567614.2981  0.0312 -6.3500 3  611.9690388  595161404482623 4    482326 4      C-13-H3C(O)CH3
  567630.4884  0.0766 -6.4212 3  756.6205428  595161404532924 3    532627 3      C-13-H3C(O)CH3
  567631.6408  0.0771 -6.4212 3  756.6205428  595161404532924 4    532627 4      C-13-H3C(O)CH3
  567633.4369  0.0036 -4.9568 3  507.7965776  595161404481236 0    471335 0      C-13-H3C(O)CH3
  567633.4369  0.0036 -4.9568 3  507.7965776  595161404481336 0    471235 0      C-13-H3C(O)CH3
  567633.4369  0.0036 -3.5540 3  507.7965776  595161404481336 0    471335 0      C-13-H3C(O)CH3
  567633.4369  0.0036 -3.5540 3  507.7965776  595161404481236 0    471235 0      C-13-H3C(O)CH3
  567634.1848  0.0056 -5.2054 3  507.7673776  595161404481336 1    471235 1      C-13-H3C(O)CH3
  567634.1848  0.0056 -3.5465 3  507.7673776  595161404481336 1    471335 1      C-13-H3C(O)CH3
  567634.1848  0.0056 -3.5465 3  507.7673776  595161404481236 1    471235 1      C-13-H3C(O)CH3
  567634.1848  0.0056 -5.2054 3  507.7673776  595161404481236 1    471335 1      C-13-H3C(O)CH3
  567635.7591  0.0056 -3.5511 3  507.7666776  595161404481236 2    471335 2      C-13-H3C(O)CH3
  567635.7591  0.0056 -3.5511 3  507.7666776  595161404481336 2    471235 2      C-13-H3C(O)CH3
  567635.7591  0.0056 -5.0377 3  507.7666776  595161404481336 2    471335 2      C-13-H3C(O)CH3
  567635.7591  0.0056 -5.0377 3  507.7666776  595161404481236 2    471235 2      C-13-H3C(O)CH3
  567636.4763  0.0047 -4.8844 3  507.7372388  595161404481336 4    471335 4      C-13-H3C(O)CH3
  567636.4763  0.0047 -3.8790 3  507.7372388  595161404481336 4    471235 4      C-13-H3C(O)CH3
  567636.4763  0.0047 -3.8790 3  507.7372388  595161404481236 4    471335 4      C-13-H3C(O)CH3
  567636.4763  0.0047 -4.8844 3  507.7372388  595161404481236 4    471235 4      C-13-H3C(O)CH3
  567636.5202  0.0047 -3.8435 3  507.7373388  595161404481236 3    471235 3      C-13-H3C(O)CH3
  567636.5202  0.0047 -5.7422 3  507.7373388  595161404481336 3    471235 3      C-13-H3C(O)CH3
  567636.5202  0.0047 -3.8435 3  507.7373388  595161404481336 3    471335 3      C-13-H3C(O)CH3
  567636.5202  0.0047 -5.7422 3  507.7373388  595161404481236 3    471335 3      C-13-H3C(O)CH3
  567639.9492  0.0106 -3.8096 3  384.2691616  595161404382217 2    372116 2      C-13-H3C(O)CH3
  567678.8248  0.0750 -6.1208 3  756.6233856  595161404532924 2    532627 2      C-13-H3C(O)CH3
  567707.1590  0.0497 -6.1204 3  756.6239856  595161404532924 1    532627 1      C-13-H3C(O)CH3
  567731.2949  0.1275 -5.5390 3 1300.5207C88  595161404801467 0    801368 0      C-13-H3C(O)CH3
  567731.2949  0.1275 -5.5390 3 1300.5207C88  595161404801367 0    801268 0      C-13-H3C(O)CH3
  567753.8040  0.0481 -6.1211 3  756.6267856  595161404532924 0    532627 0      C-13-H3C(O)CH3
  567878.1970  0.1528 -5.5616 3 1300.5174C88  595161404801367 1    801268 1      C-13-H3C(O)CH3
  567878.1970  0.1528 -5.5616 3 1300.5174C88  595161404801467 1    801368 1      C-13-H3C(O)CH3
  567879.8257  0.1538 -5.5303 3 1300.5172C88  595161404801367 2    801368 2      C-13-H3C(O)CH3
  567879.8257  0.1538 -5.5303 3 1300.5172C88  595161404801467 2    801268 2      C-13-H3C(O)CH3
  567886.4266  0.0031 -3.7252 3  547.4266452  59516140456 353 4    55 452 4      C-13-H3C(O)CH3
  567886.4402  0.0031 -3.7396 3  547.4265452  59516140456 453 3    55 452 3      C-13-H3C(O)CH3
  567886.4402  0.0031 -5.2113 3  547.4265452  59516140456 353 3    55 452 3      C-13-H3C(O)CH3
  567886.4583  0.0031 -3.7252 3  547.4266452 -59516140456 453 4    55 352 4      C-13-H3C(O)CH3
  567886.4583  0.0031 -3.7396 3  547.4265452 -59516140456 353 3    55 352 3      C-13-H3C(O)CH3
  567886.4583  0.0031 -5.2113 3  547.4265452 -59516140456 453 3    55 352 3      C-13-H3C(O)CH3
  567916.2516  0.0044 -3.7066 3  547.4257904  59516140456 453 1    55 452 1      C-13-H3C(O)CH3
  567916.2516  0.0044 -3.7066 3  547.4257904  59516140456 353 1    55 352 1      C-13-H3C(O)CH3
  567916.3066  0.0044 -3.7446 3  547.4257904 -59516140456 453 1    55 352 1      C-13-H3C(O)CH3
  567916.3066  0.0044 -3.7446 3  547.4257904 -59516140456 353 1    55 452 1      C-13-H3C(O)CH3
  567916.3066  0.0044 -3.4394 3  547.4253904 -59516140456 353 2    55 352 2      C-13-H3C(O)CH3
  567916.3066  0.0044 -4.8864 3  547.4253904 -59516140456 453 2    55 352 2      C-13-H3C(O)CH3
  567916.3402  0.0044 -3.4394 3  547.4253904  59516140456 453 2    55 452 2      C-13-H3C(O)CH3
  567916.3402  0.0044 -4.8864 3  547.4253904  59516140456 353 2    55 452 2      C-13-H3C(O)CH3
  567946.0824  0.0033 -4.3473 3  547.4244904 -59516140456 353 0    55 352 0      C-13-H3C(O)CH3
  567946.0824  0.0033 -4.3473 3  547.4244904 -59516140456 453 0    55 452 0      C-13-H3C(O)CH3
  567946.0824  0.0033 -3.4793 3  547.4244904 -59516140456 353 0    55 452 0      C-13-H3C(O)CH3
  567946.0824  0.0033 -3.4793 3  547.4244904 -59516140456 453 0    55 352 0      C-13-H3C(O)CH3
  567969.1034  0.0628 -4.7799 3  502.7194348  595161404432617 3    422716 3      C-13-H3C(O)CH3
  568026.8982  0.1024 -5.8773 3 1300.5139644  595161404801367 3    801368 3      C-13-H3C(O)CH3
  568026.8982  0.1024 -5.8773 3 1300.5139644  595161404801467 3    801268 3      C-13-H3C(O)CH3
  568027.1424  0.1025 -5.8518 3 1300.5138644  595161404801367 4    801368 4      C-13-H3C(O)CH3
  568027.1424  0.1025 -5.8518 3 1300.5138644  595161404801467 4    801268 4      C-13-H3C(O)CH3
  568106.9957  0.0399 -6.3487 3  642.7010760  595161404473611 2    473314 2      C-13-H3C(O)CH3
  568114.8353  0.0569 -4.7882 3  502.7149348  595161404432617 4    422716 4      C-13-H3C(O)CH3
  568221.3141  0.0052 -3.4448 3  258.9938236  5951614042927 2 4    2826 2 4      C-13-H3C(O)CH3
  568234.8221  0.1048 -5.4598 3 1252.4665C72  595161404791267 0    791268 0      C-13-H3C(O)CH3
  568234.8221  0.1048 -5.4598 3 1252.4665C72  595161404791367 0    791168 0      C-13-H3C(O)CH3
  568281.7344  0.0581 -4.4811 3  502.7309696  595161404432617 2    422716 2      C-13-H3C(O)CH3
  568307.7463  0.0417 -6.3485 3  642.6840760  595161404473611 1    473314 1      C-13-H3C(O)CH3
  568332.5475  0.0042 -3.1437 3  259.0567472 -5951614042927 2 2    2826 2 2      C-13-H3C(O)CH3
  568352.9824  0.0044 -3.1436 3  259.0383472 -5951614042927 3 1    2826 2 1      C-13-H3C(O)CH3
  568357.0908  0.0539 -6.3095 3  719.7942808  595161404503713 2    503416 2      C-13-H3C(O)CH3
  568360.1883  0.0139 -5.5567 3  129.4289180  5951614042217 6 4    2114 8 4      C-13-H3C(O)CH3
  568365.4927  0.0396 -6.3503 3  642.6597760  595161404473611 0    473314 0      C-13-H3C(O)CH3
  568385.4617  0.1684 -6.3931 3 1051.0870A00  595161404623726 2    623429 2      C-13-H3C(O)CH3
  568388.9862  0.0395 -6.3503 3  642.6589760  595161404473612 0    473315 0      C-13-H3C(O)CH3
  568392.8477  0.1219 -5.5322 3 1252.4567C72  595161404791367 1    791268 1      C-13-H3C(O)CH3
  568392.8477  0.1219 -5.5322 3 1252.4567C72  595161404791267 1    791168 1      C-13-H3C(O)CH3
  568392.8477  0.1219 -6.2714 3 1252.4567C72  595161404791267 1    791268 1      C-13-H3C(O)CH3
  568392.8477  0.1219 -6.2714 3 1252.4567C72  595161404791367 1    791168 1      C-13-H3C(O)CH3
  568393.2613  0.1229 -5.4685 3 1252.4565C72  595161404791367 2    791168 2      C-13-H3C(O)CH3
  568393.2613  0.1229 -5.4685 3 1252.4565C72  595161404791267 2    791268 2      C-13-H3C(O)CH3
  568405.6083  0.1933 -6.3933 3 1051.0744A00  595161404623726 0    623429 0      C-13-H3C(O)CH3
  568409.5666  0.1915 -6.3931 3 1051.0850A00  595161404623726 1    623429 1      C-13-H3C(O)CH3
  568430.6665  0.0633 -6.3102 3  719.7795808  595161404503713 1    503416 1      C-13-H3C(O)CH3
  568437.3607  0.0051 -3.4444 3  258.9745236  5951614042927 3 3    2826 3 3      C-13-H3C(O)CH3
  568449.8796  0.0419 -6.3496 3  642.6532760  595161404473612 1    473315 1      C-13-H3C(O)CH3
  568460.4968  0.0626 -6.3089 3  719.7474808  595161404503713 0    503416 0      C-13-H3C(O)CH3
  568464.8817  0.0041 -3.1435 3  259.1011472 -5951614042927 2 0    2826 3 0      C-13-H3C(O)CH3
  568464.8817  0.0041 -3.1435 3  259.1011472 -5951614042927 3 0    2826 2 0      C-13-H3C(O)CH3
  568489.1884  0.0051 -3.4444 3  258.9916236  5951614042927 2 3    2826 2 3      C-13-H3C(O)CH3
  568548.6715  0.0041 -3.1433 3  259.0373472 -5951614042927 3 2    2826 3 2      C-13-H3C(O)CH3
  568551.4523  0.0925 -5.8404 3 1252.4467636  595161404791367 3    791168 3      C-13-H3C(O)CH3
  568551.4523  0.0925 -5.8404 3 1252.4467636  595161404791267 3    791268 3      C-13-H3C(O)CH3
  568551.6888  0.0925 -5.8002 3 1252.4467636  595161404791267 4    791168 4      C-13-H3C(O)CH3
  568551.6888  0.0925 -5.8002 3 1252.4467636  595161404791367 4    791268 4      C-13-H3C(O)CH3
  568619.0057  0.0624 -6.3086 3  719.7421808  595161404503714 0    503417 0      C-13-H3C(O)CH3
  568620.8484  0.0043 -3.1431 3  259.0360472 -5951614042927 2 1    2826 3 1      C-13-H3C(O)CH3
  568669.0420  0.0046 -4.4103 3  516.4280396 -595161404491238 3    481237 3      C-13-H3C(O)CH3
  568669.0420  0.0046 -3.8590 3  516.4279396 -595161404491238 4    481237 4      C-13-H3C(O)CH3
  568669.0420  0.0046 -3.9582 3  516.4280396 -595161404491238 3    481137 3      C-13-H3C(O)CH3
  568669.0420  0.0046 -4.9743 3  516.4279396 -595161404491138 4    481237 4      C-13-H3C(O)CH3
  568669.0420  0.0046 -3.9582 3  516.4280396 -595161404491138 3    481237 3      C-13-H3C(O)CH3
  568669.0420  0.0046 -4.4103 3  516.4280396 -595161404491138 3    481137 3      C-13-H3C(O)CH3
  568669.0420  0.0046 -4.9743 3  516.4279396 -595161404491238 4    481137 4      C-13-H3C(O)CH3
  568669.0420  0.0046 -3.8590 3  516.4279396 -595161404491138 4    481137 4      C-13-H3C(O)CH3
  568670.4942  0.0058 -5.4812 3  516.4582792 -595161404491238 1    481137 1      C-13-H3C(O)CH3
  568670.4942  0.0058 -3.8316 3  516.4582792 -595161404491138 1    481137 1      C-13-H3C(O)CH3
  568670.4942  0.0058 -3.5307 3  516.4582792 -595161404491238 1    481237 1      C-13-H3C(O)CH3
  568670.4942  0.0058 -3.8223 3  516.4582792 -595161404491138 1    481237 1      C-13-H3C(O)CH3
  568671.8939  0.0058 -3.5379 3  516.4576792 -595161404491238 2    481237 2      C-13-H3C(O)CH3
  568671.8939  0.0058 -5.0908 3  516.4576792 -595161404491138 2    481237 2      C-13-H3C(O)CH3
  568671.8939  0.0058 -5.0908 3  516.4576792 -595161404491238 2    481137 2      C-13-H3C(O)CH3
  568671.8939  0.0058 -3.5379 3  516.4576792 -595161404491138 2    481137 2      C-13-H3C(O)CH3
  568673.2255  0.0036 -3.8513 3  516.4878792 -595161404491138 0    481137 0      C-13-H3C(O)CH3
  568673.2255  0.0036 -3.8039 3  516.4878792 -595161404491138 0    481237 0      C-13-H3C(O)CH3
  568673.2255  0.0036 -3.8513 3  516.4878792 -595161404491238 0    481237 0      C-13-H3C(O)CH3
  568673.2255  0.0036 -3.8039 3  516.4878792 -595161404491238 0    481137 0      C-13-H3C(O)CH3
  568683.0890  0.0407 -6.3518 3  642.6624760  595161404473612 2    473315 2      C-13-H3C(O)CH3
  568704.5410  0.0057 -3.4440 3  258.9723236  5951614042927 3 4    2826 3 4      C-13-H3C(O)CH3
  568710.4768  0.0747 -6.2086 3 1072.4146968  595161404604813 1    594911 1      C-13-H3C(O)CH3
  568734.4740  0.0827 -5.7537 3 1204.9906C56  595161404781267 0    781168 0      C-13-H3C(O)CH3
  568734.4740  0.0827 -5.6472 3 1204.9906C56  595161404781267 0    781068 0      C-13-H3C(O)CH3
  568734.4740  0.0827 -5.6472 3 1204.9906C56  595161404781167 0    781168 0      C-13-H3C(O)CH3
  568734.4740  0.0827 -5.7537 3 1204.9906C56  595161404781167 0    781068 0      C-13-H3C(O)CH3
  568750.6376  0.0116 -6.2106 3  100.2234164  5951614042014 7 4    19 910 4      C-13-H3C(O)CH3
  568750.9125  0.0299 -4.4771 3  502.7300696  595161404432617 1    422716 1      C-13-H3C(O)CH3
  568774.7357  0.0583 -6.2083 3 1072.4045968  595161404604813 0    594911 0      C-13-H3C(O)CH3
  568774.7357  0.0583 -6.2083 3 1072.4045968  595161404604812 0    594910 0      C-13-H3C(O)CH3
  568812.4874  0.0644 -6.3113 3  719.7457808  595161404503714 1    503417 1      C-13-H3C(O)CH3
  568843.8344  0.0957 -5.5915 3  788.3671872  595161404543124 0    533221 0      C-13-H3C(O)CH3
  568893.0096  0.0774 -6.2088 3 1072.4047968  595161404604813 2    594911 2      C-13-H3C(O)CH3
  568895.0084  0.0935 -6.0377 3 1204.9742C56  595161404781267 2    781068 2      C-13-H3C(O)CH3
  568895.0084  0.0935 -5.5083 3 1204.9742C56  595161404781267 2    781168 2      C-13-H3C(O)CH3
  568895.0084  0.0935 -6.0377 3 1204.9742C56  595161404781167 2    781168 2      C-13-H3C(O)CH3
  568895.0084  0.0935 -5.5083 3 1204.9742C56  595161404781167 2    781068 2      C-13-H3C(O)CH3
  568895.4344  0.0931 -5.8018 3 1204.9744C56  595161404781167 1    781168 1      C-13-H3C(O)CH3
  568895.4344  0.0931 -5.6124 3 1204.9744C56  595161404781167 1    781068 1      C-13-H3C(O)CH3
  568895.4344  0.0931 -5.8018 3 1204.9744C56  595161404781267 1    781068 1      C-13-H3C(O)CH3
  568895.4344  0.0931 -5.6124 3 1204.9744C56  595161404781267 1    781168 1      C-13-H3C(O)CH3
  568909.0898  0.0768 -6.2087 3 1072.4316968  595161404604812 1    594910 1      C-13-H3C(O)CH3
  568996.6123  0.0326 -4.4751 3  502.7436696  595161404432617 0    422716 0      C-13-H3C(O)CH3
  569000.2674  0.0107 -6.1022 3  430.7606664  595161404411922 0    411625 0      C-13-H3C(O)CH3
  569001.7561  0.0107 -6.1022 3  430.7606664  595161404412022 0    411725 0      C-13-H3C(O)CH3
  569028.9915  0.0032 -3.7132 3  551.2119460  59516140457 255 3    56 354 3      C-13-H3C(O)CH3
  569028.9977  0.0032 -3.7131 3  551.2119460  59516140457 255 4    56 354 4      C-13-H3C(O)CH3
  569029.0211  0.0032 -3.7131 3  551.2119460 -59516140457 355 4    56 254 4      C-13-H3C(O)CH3
  569029.0211  0.0032 -3.7132 3  551.2119460 -59516140457 355 3    56 254 3      C-13-H3C(O)CH3
  569046.5709  0.0127 -6.1027 3  430.7317664  595161404411922 2    411625 2      C-13-H3C(O)CH3
  569048.1714  0.0127 -6.1027 3  430.7317664  595161404412022 2    411725 2      C-13-H3C(O)CH3
  569055.6256  0.0047 -3.5491 3  551.1960920 -59516140457 355 1    56 354 1      C-13-H3C(O)CH3
  569055.6256  0.0046 -3.4363 3  551.1956920 -59516140457 255 2    56 254 2      C-13-H3C(O)CH3
  569055.6256  0.0046 -4.6782 3  551.1956920 -59516140457 355 2    56 254 2      C-13-H3C(O)CH3
  569055.6256  0.0047 -3.9796 3  551.1960920 -59516140457 255 1    56 354 1      C-13-H3C(O)CH3
  569055.6472  0.0047 -3.5491 3  551.1960920  59516140457 255 1    56 254 1      C-13-H3C(O)CH3
  569055.6472  0.0047 -3.9796 3  551.1960920  59516140457 355 1    56 254 1      C-13-H3C(O)CH3
  569055.6486  0.0046 -4.6782 3  551.1956920  59516140457 255 2    56 354 2      C-13-H3C(O)CH3
  569055.6486  0.0046 -3.4363 3  551.1956920  59516140457 355 2    56 354 2      C-13-H3C(O)CH3
  569056.1199  0.0830 -5.8443 3 1204.9579628  595161404781167 3    781068 3      C-13-H3C(O)CH3
  569056.1199  0.0830 -6.2364 3 1204.9579628  595161404781267 3    781068 3      C-13-H3C(O)CH3
  569056.1199  0.0830 -6.2364 3 1204.9579628  595161404781167 3    781168 3      C-13-H3C(O)CH3
  569056.1199  0.0830 -5.8443 3 1204.9579628  595161404781267 3    781168 3      C-13-H3C(O)CH3
  569056.3243  0.0830 -5.7168 3 1204.9579628  595161404781167 4    781068 4      C-13-H3C(O)CH3
  569056.3243  0.0830 -5.7168 3 1204.9579628  595161404781267 4    781168 4      C-13-H3C(O)CH3
  569063.3838  0.0811 -6.2086 3 1072.4339968  595161404604812 2    594910 2      C-13-H3C(O)CH3
  569076.2270  0.0119 -6.1012 3  430.7335664  595161404411922 1    411625 1      C-13-H3C(O)CH3
  569077.7698  0.0119 -6.1012 3  430.7335664  595161404412022 1    411725 1      C-13-H3C(O)CH3
  569082.2060  0.0035 -3.6575 3  551.1798920 -59516140457 355 0    56 254 0      C-13-H3C(O)CH3
  569082.2060  0.0035 -3.6575 3  551.1798920 -59516140457 255 0    56 354 0      C-13-H3C(O)CH3
  569082.2060  0.0035 -3.7768 3  551.1798920 -59516140457 255 0    56 254 0      C-13-H3C(O)CH3
  569082.2060  0.0035 -3.7768 3  551.1798920 -59516140457 355 0    56 354 0      C-13-H3C(O)CH3
  569088.7511  0.0622 -6.1191 3  756.6234856  595161404533024 2    532727 2      C-13-H3C(O)CH3
  569098.2912  0.0652 -6.4195 3  756.6206428  595161404533024 4    532727 4      C-13-H3C(O)CH3
  569098.9962  0.0627 -6.3120 3  719.7508808  595161404503714 2    503417 2      C-13-H3C(O)CH3
  569099.3693  0.0646 -6.4195 3  756.6206428  595161404533024 3    532727 3      C-13-H3C(O)CH3
  569099.7595  0.0444 -6.1194 3  756.6268856  595161404533024 0    532727 0      C-13-H3C(O)CH3
  569109.1787  0.0478 -6.1187 3  756.6240856  595161404533024 1    532727 1      C-13-H3C(O)CH3
  569122.7176  0.0133 -6.4025 3  430.7046332  595161404411922 4    411625 4      C-13-H3C(O)CH3
  569122.7258  0.0133 -6.4025 3  430.7046332  595161404411922 3    411625 3      C-13-H3C(O)CH3
  569124.3700  0.0133 -6.4025 3  430.7046332  595161404412022 4    411725 4      C-13-H3C(O)CH3
  569124.3852  0.0133 -6.4025 3  430.7046332  595161404412022 3    411725 3      C-13-H3C(O)CH3
  569234.0839  0.0635 -5.5377 3 1158.0933C40  595161404771067 0    77 968 0      C-13-H3C(O)CH3
  569234.0839  0.0635 -5.7695 3 1158.0933C40  595161404771167 0    77 968 0      C-13-H3C(O)CH3
  569234.0839  0.0635 -5.7695 3 1158.0933C40  595161404771067 0    771068 0      C-13-H3C(O)CH3
  569234.0839  0.0635 -5.5377 3 1158.0933C40  595161404771167 0    771068 0      C-13-H3C(O)CH3
  569264.2211  0.0068 -3.7841 3  403.0392632  595161404392218 1    382117 1      C-13-H3C(O)CH3
  569269.1055  0.0059 -3.7842 3  403.0615632 -595161404392218 0    382117 0      C-13-H3C(O)CH3
  569370.3190  0.0064 -4.0852 3  403.0077316  595161404392218 4    382117 4      C-13-H3C(O)CH3
  569375.1889  0.0077 -4.0853 3  403.0076316  595161404392218 3    382117 3      C-13-H3C(O)CH3
  569379.2704  0.0066 -3.7843 3  403.0300632  595161404392218 2    382117 2      C-13-H3C(O)CH3
  569386.3154  0.0720 -5.3369 3 1158.0709C40  595161404771067 2    77 968 2      C-13-H3C(O)CH3
  569386.3154  0.0720 -5.3369 3 1158.0709C40  595161404771167 2    771068 2      C-13-H3C(O)CH3
  569387.1455  0.0728 -5.3456 3 1158.0711C40  595161404771167 1    77 968 1      C-13-H3C(O)CH3
  569387.1455  0.0728 -5.6673 3 1158.0711C40  595161404771067 1    771068 1      C-13-H3C(O)CH3
  569387.1455  0.0728 -5.6105 3 1158.0711C40  595161404771067 1    77 968 1      C-13-H3C(O)CH3
  569404.6906  0.0890 -5.5852 3  788.3476872  595161404543124 1    533221 1      C-13-H3C(O)CH3
  569435.3138  0.0108 -5.3121 3  129.4305360  5951614042217 6 1    2114 8 1      C-13-H3C(O)CH3
  569539.5049  0.0744 -5.6528 3 1158.0486620  595161404771167 3    77 968 3      C-13-H3C(O)CH3
  569539.5049  0.0744 -5.6544 3 1158.0486620  595161404771067 3    771068 3      C-13-H3C(O)CH3
  569539.6451  0.0744 -5.9925 3 1158.0486620  595161404771067 4    771068 4      C-13-H3C(O)CH3
  569539.6451  0.0744 -5.6394 3 1158.0486620  595161404771167 4    77 968 4      C-13-H3C(O)CH3
  569539.6451  0.0744 -5.8907 3 1158.0486620  595161404771067 4    77 968 4      C-13-H3C(O)CH3
  569561.1540  0.1483 -5.5835 3  788.3414872  595161404543124 2    533221 2      C-13-H3C(O)CH3
  569636.8026  0.0152 -5.7252 3  129.4378180  5951614042217 6 3    2114 8 3      C-13-H3C(O)CH3
  569639.1654  0.0061 -6.1130 3  100.2232164  5951614042014 7 3    19 910 3      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.2418 3  524.5689404 -595161404501040 3    491139 3      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.0207 3  524.5689404 -595161404501140 4    491139 4      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.2414 3  524.5689404 -595161404501140 4    491039 4      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.0205 3  524.5689404 -595161404501140 3    491139 3      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.2418 3  524.5689404 -595161404501140 3    491039 3      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.0207 3  524.5689404 -595161404501040 4    491039 4      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.2414 3  524.5689404 -595161404501040 4    491139 4      C-13-H3C(O)CH3
  569723.7704  0.0044 -4.0205 3  524.5689404 -595161404501040 3    491039 3      C-13-H3C(O)CH3
  569729.3975  0.0060 -3.5486 3  524.5991808 -595161404501040 1    491039 1      C-13-H3C(O)CH3
  569729.3975  0.0060 -4.6458 3  524.5991808 -595161404501040 1    491139 1      C-13-H3C(O)CH3
  569729.3975  0.0060 -3.5486 3  524.5991808 -595161404501140 1    491139 1      C-13-H3C(O)CH3
  569729.3975  0.0060 -4.6458 3  524.5991808 -595161404501140 1    491039 1      C-13-H3C(O)CH3
  569730.4939  0.0060 -3.5484 3  524.5986808 -595161404501040 2    491139 2      C-13-H3C(O)CH3
  569730.4939  0.0060 -3.5484 3  524.5986808 -595161404501140 2    491039 2      C-13-H3C(O)CH3
  569730.4939  0.0060 -4.6476 3  524.5986808 -595161404501040 2    491039 2      C-13-H3C(O)CH3
  569730.4939  0.0060 -4.6476 3  524.5986808 -595161404501140 2    491139 2      C-13-H3C(O)CH3
  569732.4467  0.1066 -5.4819 3  660.5162396  595161404493119 4    483216 4      C-13-H3C(O)CH3
  569736.0484  0.0036 -4.3656 3  524.6287808 -595161404501140 0    491139 0      C-13-H3C(O)CH3
  569736.0484  0.0036 -3.7879 3  524.6287808 -595161404501140 0    491039 0      C-13-H3C(O)CH3
  569736.0484  0.0036 -3.8466 3  524.6287808 -595161404501040 0    491039 0      C-13-H3C(O)CH3
  569736.0484  0.0036 -3.5813 3  524.6287808 -595161404501040 0    491139 0      C-13-H3C(O)CH3
  569737.9665  0.0504 -6.0207 3 1111.7749C24  59516140476 967 0    76 868 0      C-13-H3C(O)CH3
  569737.9665  0.0504 -5.3718 3 1111.7749C24  595161404761067 0    76 868 0      C-13-H3C(O)CH3
  569737.9665  0.0504 -6.0207 3 1111.7749C24  595161404761067 0    76 968 0      C-13-H3C(O)CH3
  569737.9665  0.0504 -5.3718 3 1111.7749C24  59516140476 967 0    76 968 0      C-13-H3C(O)CH3
  569738.8161  0.0083 -5.8602 3  100.2036328  5951614042014 7 1    19 910 1      C-13-H3C(O)CH3
  569806.8500  0.0530 -5.3852 3  827.4938872  595161404543817 2    533915 2      C-13-H3C(O)CH3
  569809.9632  0.0042 -3.5325 3  262.7538244  5951614043025 5 4    2924 5 4      C-13-H3C(O)CH3
  569814.1416  0.0109 -5.3339 3  129.4317360  5951614042217 6 2    2114 8 2      C-13-H3C(O)CH3
  569831.5881  0.0544 -5.6862 3  827.5169436  595161404543817 4    533915 4      C-13-H3C(O)CH3
  569868.5237  0.0666 -5.2945 3 1111.7474C24  595161404761067 2    76 868 2      C-13-H3C(O)CH3
  569868.5237  0.0666 -5.2945 3 1111.7474C24  59516140476 967 2    76 968 2      C-13-H3C(O)CH3
  569869.3049  0.0684 -5.2890 3 1111.7475C24  595161404761067 1    76 968 1      C-13-H3C(O)CH3
  569869.3049  0.0684 -5.2890 3 1111.7475C24  59516140476 967 1    76 868 1      C-13-H3C(O)CH3
  569911.6909  0.0558 -5.3853 3  827.4576872  595161404543817 0    533914 0      C-13-H3C(O)CH3
  569913.5718  0.1594 -6.2316 3  881.1084920  595161404573225 2    572928 2      C-13-H3C(O)CH3
  569913.6127  0.0153 -5.6678 3  129.4378180  5951614042217 5 3    2114 8 3      C-13-H3C(O)CH3
  569917.0666  0.0035 -3.2312 3  262.7786488 -5951614043025 5 1    2924 5 1      C-13-H3C(O)CH3
  569917.2480  0.0559 -5.3853 3  827.4576872  595161404543816 0    533915 0      C-13-H3C(O)CH3
  569919.9232  0.1081 -6.2314 3  881.1079920  595161404573225 1    572928 1      C-13-H3C(O)CH3
  569938.2220  0.0579 -5.3853 3  827.4807872  595161404543817 1    533915 1      C-13-H3C(O)CH3
  569947.2874  0.0036 -3.2311 3  262.7950488 -5951614043025 5 2    2924 5 2      C-13-H3C(O)CH3
  569971.9900  0.0040 -3.5323 3  262.7336244  5951614043025 6 3    2924 6 3      C-13-H3C(O)CH3
  569997.8491  0.0496 -5.6865 3  827.5292436  595161404543817 3    533914 3      C-13-H3C(O)CH3
  569999.9581  0.0669 -5.6956 3 1111.7199612  595161404761067 3    76 968 3      C-13-H3C(O)CH3
  569999.9581  0.0669 -6.2298 3 1111.7199612  59516140476 967 3    76 968 3      C-13-H3C(O)CH3
  569999.9581  0.0669 -5.6956 3 1111.7199612  59516140476 967 3    76 868 3      C-13-H3C(O)CH3
  569999.9581  0.0669 -6.2298 3 1111.7199612  595161404761067 3    76 868 3      C-13-H3C(O)CH3
  569999.9952  0.0669 -5.5853 3 1111.7199612  595161404761067 4    76 868 4      C-13-H3C(O)CH3
  569999.9952  0.0669 -5.5853 3 1111.7199612  59516140476 967 4    76 968 4      C-13-H3C(O)CH3
  570016.3040  0.0077 -5.8482 3  100.2003328  5951614042014 7 2    19 910 2      C-13-H3C(O)CH3
  570037.1622  0.0039 -3.5320 3  262.7365244  5951614043025 5 3    2924 5 3      C-13-H3C(O)CH3
  570054.3642  0.0030 -3.2308 3  262.8195488 -5951614043025 6 0    2924 5 0      C-13-H3C(O)CH3
  570054.3642  0.0030 -3.2308 3  262.8195488 -5951614043025 5 0    2924 6 0      C-13-H3C(O)CH3
  570062.7010  0.0047 -4.3833 3  168.1065212  595161404261313 3    251214 3      C-13-H3C(O)CH3
  570064.5162  0.0061 -4.3833 3  168.1065212  595161404261313 4    251214 4      C-13-H3C(O)CH3
  570101.4636  0.1418 -5.8785 3  788.3226436  595161404543124 4    533221 4      C-13-H3C(O)CH3
  570106.1325  0.0538 -5.3852 3  827.4929872  595161404543816 1    533914 1      C-13-H3C(O)CH3
  570108.5353  0.0032 -3.2309 3  262.7747488 -5951614043025 6 2    2924 6 2      C-13-H3C(O)CH3
  570130.0951  0.1468 -5.8782 3  788.3217436  595161404543124 3    533221 3      C-13-H3C(O)CH3
  570137.8058  0.1087 -6.2318 3  881.1028920  595161404573225 0    572928 0      C-13-H3C(O)CH3
  570143.3483  0.0032 -3.2307 3  262.7612488 -5951614043025 6 1    2924 6 1      C-13-H3C(O)CH3
  570147.5356  0.0484 -5.3852 3  827.5034872  595161404543816 2    533914 2      C-13-H3C(O)CH3
  570171.1740  0.0452 -5.6866 3  827.5264436  595161404543816 3    533915 3      C-13-H3C(O)CH3
  570179.7309  0.0044 -4.0821 3  168.1067424  595161404261313 2    251214 2      C-13-H3C(O)CH3
  570181.8559  0.0040 -3.8395 3  554.4649468  59516140458 157 3    57 156 3      C-13-H3C(O)CH3
  570181.8559  0.0040 -4.2634 3  554.4649468  59516140458 257 3    57 156 3      C-13-H3C(O)CH3
  570181.8697  0.0040 -3.8395 3  554.4649468 -59516140458 257 3    57 256 3      C-13-H3C(O)CH3
  570181.8697  0.0040 -4.1360 3  554.4649468 -59516140458 157 4    57 256 4      C-13-H3C(O)CH3
  570181.8697  0.0040 -3.8993 3  554.4649468 -59516140458 257 4    57 256 4      C-13-H3C(O)CH3
  570181.8697  0.0040 -4.2634 3  554.4649468 -59516140458 157 3    57 256 3      C-13-H3C(O)CH3
  570181.8709  0.0040 -3.8993 3  554.4649468  59516140458 157 4    57 156 4      C-13-H3C(O)CH3
  570181.8709  0.0040 -4.1360 3  554.4649468  59516140458 257 4    57 156 4      C-13-H3C(O)CH3
  570198.3405  0.0040 -3.5318 3  262.7163244  5951614043025 6 4    2924 6 4      C-13-H3C(O)CH3
  570200.4518  0.0055 -3.5559 3  554.4284936 -59516140458 157 1    57 156 1      C-13-H3C(O)CH3
  570200.4518  0.0051 -4.2708 3  554.4280936 -59516140458 157 2    57 156 2      C-13-H3C(O)CH3
  570200.4518  0.0051 -3.4623 3  554.4280936 -59516140458 257 2    57 156 2      C-13-H3C(O)CH3
  570200.4518  0.0055 -3.9190 3  554.4284936 -59516140458 257 1    57 156 1      C-13-H3C(O)CH3
  570200.5402  0.0051 -4.2708 3  554.4280936  59516140458 257 2    57 256 2      C-13-H3C(O)CH3
  570200.5402  0.0051 -3.4623 3  554.4280936  59516140458 157 2    57 256 2      C-13-H3C(O)CH3
  570200.5455  0.0055 -3.9190 3  554.4284936  59516140458 157 1    57 256 1      C-13-H3C(O)CH3
  570200.5455  0.0055 -3.5559 3  554.4284936  59516140458 257 1    57 256 1      C-13-H3C(O)CH3
  570219.1379  0.0041 -4.0783 3  554.3915936 -59516140458 257 0    57 256 0      C-13-H3C(O)CH3
  570219.1379  0.0041 -3.5015 3  554.3915936 -59516140458 257 0    57 156 0      C-13-H3C(O)CH3
  570219.1379  0.0041 -4.0783 3  554.3915936 -59516140458 157 0    57 156 0      C-13-H3C(O)CH3
  570219.1379  0.0041 -3.5015 3  554.3915936 -59516140458 157 0    57 256 0      C-13-H3C(O)CH3
  570240.1013  0.0044 -4.0821 3  168.1096424  595161404261313 1    251214 1      C-13-H3C(O)CH3
  570250.9350  0.0457 -6.2587 3 1066.0353C08  59516140475 967 0    75 868 0      C-13-H3C(O)CH3
  570250.9350  0.0457 -5.2804 3 1066.0353C08  59516140475 867 0    75 868 0      C-13-H3C(O)CH3
  570250.9350  0.0457 -5.2804 3 1066.0353C08  59516140475 967 0    75 768 0      C-13-H3C(O)CH3
  570250.9350  0.0457 -6.2587 3 1066.0353C08  59516140475 867 0    75 768 0      C-13-H3C(O)CH3
  570313.5994  0.0197 -5.8954 3  268.3860504  5951614043123 9 1    3022 8 1      C-13-H3C(O)CH3
  570339.6902  0.0522 -5.6861 3  827.5387436  595161404543816 4    533914 4      C-13-H3C(O)CH3
  570343.0666  0.0761 -5.9164 3 1066.0042C08  59516140475 867 2    75 868 2      C-13-H3C(O)CH3
  570343.0666  0.0761 -5.3386 3 1066.0042C08  59516140475 867 2    75 768 2      C-13-H3C(O)CH3
  570343.0666  0.0761 -5.3386 3 1066.0042C08  59516140475 967 2    75 868 2      C-13-H3C(O)CH3
  570343.0666  0.0761 -5.9164 3 1066.0042C08  59516140475 967 2    75 768 2      C-13-H3C(O)CH3
  570343.3825  0.0778 -5.2432 3 1066.0043C08  59516140475 867 1    75 768 1      C-13-H3C(O)CH3
  570343.3825  0.0778 -5.2432 3 1066.0043C08  59516140475 967 1    75 868 1      C-13-H3C(O)CH3
  570356.3684  0.0044 -4.0818 3  168.1098424  595161404261313 0    251214 0      C-13-H3C(O)CH3
  570397.1885  0.0057 -4.3869 3  190.1371220  595161404271711 4    261412 4      C-13-H3C(O)CH3
  570404.1608  0.0287 -4.3526 3  430.0544324  595161404402317 3    392416 3      C-13-H3C(O)CH3
  570424.4235  0.0275 -4.3526 3  430.0539324  595161404402317 4    392416 4      C-13-H3C(O)CH3
  570428.4592  0.0071 -4.3869 3  190.1367220  595161404271711 3    261412 3      C-13-H3C(O)CH3
  570435.4621  0.0605 -5.5854 3 1065.9731604  59516140475 967 4    75 768 4      C-13-H3C(O)CH3
  570435.4621  0.0605 -5.5854 3 1065.9731604  59516140475 867 4    75 868 4      C-13-H3C(O)CH3
  570435.5700  0.0605 -5.8875 3 1065.9732604  59516140475 867 3    75 768 3      C-13-H3C(O)CH3
  570435.5700  0.0605 -5.7945 3 1065.9732604  59516140475 967 3    75 768 3      C-13-H3C(O)CH3
  570435.5700  0.0605 -5.8875 3 1065.9732604  59516140475 967 3    75 868 3      C-13-H3C(O)CH3
  570435.5700  0.0605 -5.7945 3 1065.9732604  59516140475 867 3    75 868 3      C-13-H3C(O)CH3
  570462.2220  0.2876 -6.2739 3 1044.9758A00  595161404623527 1    613824 1      C-13-H3C(O)CH3
  570490.5833  0.0273 -4.0513 3  430.0738648  595161404402317 2    392416 2      C-13-H3C(O)CH3
  570528.1155  0.0068 -4.0859 3  190.1465440  595161404271711 1    261412 1      C-13-H3C(O)CH3
  570539.1765  0.0818 -5.0789 3  660.4909792  595161404493119 2    483216 2      C-13-H3C(O)CH3
  570565.4964  0.0320 -5.6509 3  268.3581252  5951614043123 9 3    3022 8 3      C-13-H3C(O)CH3
  570581.9604  0.3483 -6.2730 3 1044.9754A00  595161404623527 2    613824 2      C-13-H3C(O)CH3
  570671.5192  0.0062 -5.8088 3  100.1807328  5951614042014 7 0    19 910 0      C-13-H3C(O)CH3
  570672.6140  0.0269 -5.2380 3  268.3915504  5951614043123 9 2    3022 8 2      C-13-H3C(O)CH3
  570691.8623  0.0066 -4.0875 3  190.1382440  595161404271711 2    261412 2      C-13-H3C(O)CH3
  570702.2987  0.0058 -4.3828 3  168.1059212  595161404261413 4    251114 4      C-13-H3C(O)CH3
  570702.7236  0.0045 -4.3828 3  168.1058212  595161404261413 3    251114 3      C-13-H3C(O)CH3
  570730.9072  0.0042 -3.6556 3  268.3692252  5951614043123 8 4    3022 8 4      C-13-H3C(O)CH3
  570778.3079  0.0472 -5.7018 3 1020.8743B92  59516140474 767 0    74 668 0      C-13-H3C(O)CH3
  570778.3079  0.0472 -5.7018 3 1020.8743B92  59516140474 867 0    74 768 0      C-13-H3C(O)CH3
  570778.3079  0.0472 -5.3613 3 1020.8743B92  59516140474 867 0    74 668 0      C-13-H3C(O)CH3
  570778.3079  0.0472 -5.3613 3 1020.8743B92  59516140474 767 0    74 768 0      C-13-H3C(O)CH3
  570790.4962  0.0176 -4.0492 3  430.0775648  595161404402317 1    392416 1      C-13-H3C(O)CH3
  570795.7842  0.0042 -4.4047 3  532.1633412  59516140451 942 4    501041 4      C-13-H3C(O)CH3
  570795.7842  0.0042 -4.4047 3  532.1633412  595161404511042 4    50 941 4      C-13-H3C(O)CH3
  570795.7842  0.0042 -3.9317 3  532.1633412  595161404511042 4    501041 4      C-13-H3C(O)CH3
  570795.7842  0.0042 -3.9317 3  532.1633412  59516140451 942 4    50 941 4      C-13-H3C(O)CH3
  570795.8423  0.0042 -3.8295 3  532.1633412  59516140451 942 3    501041 3      C-13-H3C(O)CH3
  570795.8423  0.0042 -5.0783 3  532.1633412  59516140451 942 3    50 941 3      C-13-H3C(O)CH3
  570795.8423  0.0042 -3.8295 3  532.1633412  595161404511042 3    50 941 3      C-13-H3C(O)CH3
  570795.8423  0.0042 -5.0783 3  532.1633412  595161404511042 3    501041 3      C-13-H3C(O)CH3
  570802.8475  0.0070 -4.0875 3  190.1480440  595161404271711 0    261412 0      C-13-H3C(O)CH3
  570805.7554  0.0061 -3.5117 3  532.1930824  59516140451 942 1    50 941 1      C-13-H3C(O)CH3
  570805.7554  0.0061 -5.3052 3  532.1930824  595161404511042 1    50 941 1      C-13-H3C(O)CH3
  570805.7554  0.0061 -3.5117 3  532.1930824  595161404511042 1    501041 1      C-13-H3C(O)CH3
  570805.7554  0.0061 -5.3052 3  532.1930824  59516140451 942 1    501041 1      C-13-H3C(O)CH3
  570806.5921  0.0060 -6.0003 3  532.1925824  595161404511042 2    50 941 2      C-13-H3C(O)CH3
  570806.5921  0.0060 -3.5061 3  532.1925824  595161404511042 2    501041 2      C-13-H3C(O)CH3
  570806.5921  0.0060 -3.5061 3  532.1925824  59516140451 942 2    50 941 2      C-13-H3C(O)CH3
  570806.5921  0.0060 -6.0003 3  532.1925824  59516140451 942 2    501041 2      C-13-H3C(O)CH3
  570811.0027  0.0903 -5.2351 3 1020.8420B92  59516140474 767 1    74 668 1      C-13-H3C(O)CH3
  570811.0027  0.0903 -5.2351 3 1020.8420B92  59516140474 867 1    74 768 1      C-13-H3C(O)CH3
  570811.0027  0.0903 -6.2837 3 1020.8420B92  59516140474 867 1    74 668 1      C-13-H3C(O)CH3
  570811.0027  0.0903 -6.2837 3 1020.8420B92  59516140474 767 1    74 768 1      C-13-H3C(O)CH3
  570811.2433  0.0036 -3.3551 3  268.3860504 -5951614043123 8 1    3022 8 1      C-13-H3C(O)CH3
  570811.4671  0.0893 -6.0714 3 1020.8419B92  59516140474 867 2    74 668 2      C-13-H3C(O)CH3
  570811.4671  0.0893 -5.2602 3 1020.8419B92  59516140474 867 2    74 768 2      C-13-H3C(O)CH3
  570811.4671  0.0893 -6.0714 3 1020.8419B92  59516140474 767 2    74 768 2      C-13-H3C(O)CH3
  570811.4671  0.0893 -5.2602 3 1020.8419B92  59516140474 767 2    74 668 2      C-13-H3C(O)CH3
  570816.5259  0.0036 -3.5048 3  532.2222824 -59516140451 942 0    501041 0      C-13-H3C(O)CH3
  570816.5259  0.0036 -3.5048 3  532.2222824 -595161404511042 0    50 941 0      C-13-H3C(O)CH3
  570821.1891  0.0639 -5.2310 3  660.4852396  595161404493119 3    483216 3      C-13-H3C(O)CH3
  570835.8055  0.0043 -4.0815 3  168.1060424  595161404261413 2    251114 2      C-13-H3C(O)CH3
  570843.8777  0.0548 -5.6631 3 1020.8096596  59516140474 867 4    74 668 4      C-13-H3C(O)CH3
  570843.8777  0.0548 -5.5697 3 1020.8096596  59516140474 767 4    74 768 4      C-13-H3C(O)CH3
  570843.8777  0.0548 -6.3207 3 1020.8096596  59516140474 767 4    74 668 4      C-13-H3C(O)CH3
  570843.8777  0.0548 -6.0003 3 1020.8096596  59516140474 867 4    74 768 4      C-13-H3C(O)CH3
  570844.1672  0.0548 -5.6871 3 1020.8096596  59516140474 867 3    74 668 3      C-13-H3C(O)CH3
  570844.1672  0.0548 -5.6871 3 1020.8096596  59516140474 767 3    74 768 3      C-13-H3C(O)CH3
  570844.1672  0.0548 -5.9523 3 1020.8096596  59516140474 867 3    74 768 3      C-13-H3C(O)CH3
  570844.1672  0.0548 -5.9523 3 1020.8096596  59516140474 767 3    74 668 3      C-13-H3C(O)CH3
  570859.2072  0.0041 -3.6595 3  268.3581252  5951614043123 8 3    3022 8 3      C-13-H3C(O)CH3
  570871.0860  0.0178 -4.0489 3  430.0970648  595161404402317 0    392416 0      C-13-H3C(O)CH3
  570877.5570  0.0038 -3.3591 3  268.3915504 -5951614043123 8 2    3022 8 2      C-13-H3C(O)CH3
  570877.8364  0.0043 -4.0815 3  168.1090424  595161404261413 1    251114 1      C-13-H3C(O)CH3
  570911.9916  0.0040 -3.6591 3  268.3465252  5951614043123 9 3    3022 9 3      C-13-H3C(O)CH3
  570924.8430  0.0488 -5.0297 3  660.4771792  595161404493119 1    483216 1      C-13-H3C(O)CH3
  570925.8766  0.0031 -3.3533 3  268.4088504 -5951614043123 9 0    3022 8 0      C-13-H3C(O)CH3
  570927.1484  0.2143 -6.3346 3 1793.6872E48  595161404902368 0    902269 0      C-13-H3C(O)CH3
  570927.1484  0.2143 -6.3346 3 1793.6872E48  595161404902268 0    902169 0      C-13-H3C(O)CH3
  570990.5540  0.0031 -3.3548 3  268.3634504 -5951614043123 9 1    3022 9 1      C-13-H3C(O)CH3
  570990.5540  0.0031 -3.3532 3  268.4073504 -5951614043123 8 0    3022 9 0      C-13-H3C(O)CH3
  571000.5284  0.0495 -5.6146 3  902.1718904  595161404564116 0    554213 0      C-13-H3C(O)CH3
  571000.6064  0.0495 -5.6146 3  902.1718904  595161404564115 0    554214 0      C-13-H3C(O)CH3
  571008.1338  0.0035 -3.3592 3  268.3803504 -5951614043123 9 2    3022 9 2      C-13-H3C(O)CH3
  571010.8113  0.0044 -4.0812 3  168.1091424  595161404261413 0    251114 0      C-13-H3C(O)CH3
  571028.4200  0.0082 -5.0972 3  129.4290360  5951614042217 5 0    2114 8 0      C-13-H3C(O)CH3
  571040.6923  0.0037 -3.6554 3  268.3354252  5951614043123 9 4    3022 9 4      C-13-H3C(O)CH3
  571065.8095  0.0067 -4.6932 3  125.8731196  59516140424 816 4    23 717 4      C-13-H3C(O)CH3
  571065.8253  0.0067 -4.6932 3  125.8731196  59516140424 916 4    23 617 4      C-13-H3C(O)CH3
  571065.8814  0.0050 -4.6932 3  125.8731196  59516140424 816 3    23 717 3      C-13-H3C(O)CH3
  571065.8973  0.0050 -4.6932 3  125.8731196  59516140424 916 3    23 617 3      C-13-H3C(O)CH3
  571067.0598  0.0506 -6.0269 3 1025.8806952  595161404594614 0    584711 0      C-13-H3C(O)CH3
  571067.0599  0.0506 -6.0269 3 1025.8806952  595161404594613 0    584712 0      C-13-H3C(O)CH3
  571078.6640  0.3167 -6.2711 3 1044.9539A00  595161404623527 0    613824 0      C-13-H3C(O)CH3
  571078.8866  0.0517 -5.6145 3  902.2147904  595161404564115 2    554213 2      C-13-H3C(O)CH3
  571099.6569  0.0655 -6.0271 3 1025.8950952  595161404594614 1    584712 1      C-13-H3C(O)CH3
  571141.3573  0.0515 -5.6146 3  902.2015904  595161404564116 1    554213 1      C-13-H3C(O)CH3
  571191.7266  0.0495 -5.6146 3  902.2009904  595161404564115 1    554214 1      C-13-H3C(O)CH3
  571205.7024  0.0319 -5.6502 3  268.3465252  5951614043123 8 3    3022 9 3      C-13-H3C(O)CH3
  571213.1292  0.0263 -5.2372 3  268.3803504  5951614043123 8 2    3022 9 2      C-13-H3C(O)CH3
  571219.9693  0.0583 -5.9156 3  902.2443452  595161404564115 4    554213 4      C-13-H3C(O)CH3
  571222.8265  0.0498 -5.5441 3  976.2305588  59516140473 667 4    73 668 4      C-13-H3C(O)CH3
  571222.8265  0.0498 -5.5441 3  976.2305588  59516140473 767 4    73 568 4      C-13-H3C(O)CH3
  571222.8265  0.0498 -6.2755 3  976.2305588  59516140473 667 4    73 568 4      C-13-H3C(O)CH3
  571222.8265  0.0498 -6.2755 3  976.2305588  59516140473 767 4    73 668 4      C-13-H3C(O)CH3
  571223.3142  0.0497 -5.7613 3  976.2306588  59516140473 667 3    73 668 3      C-13-H3C(O)CH3
  571223.3142  0.0497 -5.7813 3  976.2306588  59516140473 667 3    73 568 3      C-13-H3C(O)CH3
  571223.3142  0.0497 -5.7613 3  976.2306588  59516140473 767 3    73 568 3      C-13-H3C(O)CH3
  571223.3142  0.0497 -5.7813 3  976.2306588  59516140473 767 3    73 668 3      C-13-H3C(O)CH3
  571251.2556  0.0643 -6.0271 3 1025.9099952  595161404594613 1    584711 1      C-13-H3C(O)CH3
  571252.4402  0.0130 -5.4972 3  129.4305360  5951614042217 5 1    2114 8 1      C-13-H3C(O)CH3
  571254.7698  0.0133 -3.8280 3  365.6598600  595161404372216 1    362115 1      C-13-H3C(O)CH3
  571269.7643  0.0596 -5.9156 3  902.2438452  595161404564115 3    554213 3      C-13-H3C(O)CH3
  571273.9518  0.0974 -5.2313 3  976.2612B76  59516140473 767 1    73 568 1      C-13-H3C(O)CH3
  571273.9518  0.0974 -6.0439 3  976.2612B76  59516140473 667 1    73 568 1      C-13-H3C(O)CH3
  571273.9518  0.0974 -6.0439 3  976.2612B76  59516140473 767 1    73 668 1      C-13-H3C(O)CH3
  571273.9518  0.0974 -5.2313 3  976.2612B76  59516140473 667 1    73 668 1      C-13-H3C(O)CH3
  571275.3328  0.0970 -5.3277 3  976.2610B76  59516140473 667 2    73 568 2      C-13-H3C(O)CH3
  571275.3328  0.0970 -5.6836 3  976.2610B76  59516140473 667 2    73 668 2      C-13-H3C(O)CH3
  571275.3328  0.0970 -5.6836 3  976.2610B76  59516140473 767 2    73 568 2      C-13-H3C(O)CH3
  571275.3328  0.0970 -5.3277 3  976.2610B76  59516140473 767 2    73 668 2      C-13-H3C(O)CH3
  571283.8519  0.0631 -6.0273 3 1025.8892952  595161404594614 2    584712 2      C-13-H3C(O)CH3
  571302.9696  0.0499 -5.6147 3  902.2058904  595161404564116 2    554214 2      C-13-H3C(O)CH3
  571306.6582  0.0034 -6.1271 3  276.1987260  595161404322112 3    312012 3      C-13-H3C(O)CH3
  571318.1594  0.0841 -6.3285 3 1025.9036476  595161404594614 4    584712 4      C-13-H3C(O)CH3
  571320.2322  0.0033 -6.0472 3  276.2192520  595161404322112 1    312012 1      C-13-H3C(O)CH3
  571325.9062  0.0498 -5.4474 3  976.2916B76  59516140473 667 0    73 668 0      C-13-H3C(O)CH3
  571325.9062  0.0498 -5.4942 3  976.2916B76  59516140473 667 0    73 568 0      C-13-H3C(O)CH3
  571325.9062  0.0498 -5.4474 3  976.2916B76  59516140473 767 0    73 568 0      C-13-H3C(O)CH3
  571325.9062  0.0498 -5.4942 3  976.2916B76  59516140473 767 0    73 668 0      C-13-H3C(O)CH3
  571339.5625  0.0703 -6.0270 3 1025.9170952  595161404594613 2    584711 2      C-13-H3C(O)CH3
  571345.1095  0.0115 -3.8281 3  365.6781600 -595161404372216 0    362115 0      C-13-H3C(O)CH3
  571346.3427  0.0063 -3.7761 3  557.1874476 -59516140459 059 4    58 158 4      C-13-H3C(O)CH3
  571346.3427  0.0063 -6.1902 3  557.1874476 -59516140459 159 3    58 058 3      C-13-H3C(O)CH3
  571346.3427  0.0063 -3.7761 3  557.1874476 -59516140459 159 4    58 058 4      C-13-H3C(O)CH3
  571346.3427  0.0063 -3.6890 3  557.1874476 -59516140459 059 3    58 058 3      C-13-H3C(O)CH3
  571346.4171  0.0063 -4.4223 3  557.1874476  59516140459 159 4    58 158 4      C-13-H3C(O)CH3
  571346.4171  0.0063 -4.4223 3  557.1874476  59516140459 059 4    58 058 4      C-13-H3C(O)CH3
  571346.4308  0.0063 -6.1902 3  557.1874476  59516140459 059 3    58 158 3      C-13-H3C(O)CH3
  571346.4308  0.0063 -3.6890 3  557.1874476  59516140459 159 3    58 158 3      C-13-H3C(O)CH3
  571350.1811  0.0101 -3.3868 3  557.1227952 -59516140459 059 1    58 158 1      C-13-H3C(O)CH3
  571350.1811  0.0095 -3.3886 3  557.1224952 -59516140459 059 2    58 058 2      C-13-H3C(O)CH3
  571350.1811  0.0095 -5.6961 3  557.1224952 -59516140459 059 2    58 158 2      C-13-H3C(O)CH3
  571350.1811  0.0101 -3.3868 3  557.1227952 -59516140459 159 1    58 058 1      C-13-H3C(O)CH3
  571350.1811  0.0095 -3.3886 3  557.1224952 -59516140459 159 2    58 158 2      C-13-H3C(O)CH3
  571350.1811  0.0095 -5.6961 3  557.1224952 -59516140459 159 2    58 058 2      C-13-H3C(O)CH3
  571353.9111  0.0073 -5.7836 3  557.0578952  59516140459 159 0    58 058 0      C-13-H3C(O)CH3
  571353.9111  0.0073 -3.3881 3  557.0578952  59516140459 059 0    58 058 0      C-13-H3C(O)CH3
  571353.9864  0.0073 -3.3881 3  557.0578952 -59516140459 159 0    58 158 0      C-13-H3C(O)CH3
  571353.9864  0.0073 -5.7836 3  557.0578952 -59516140459 059 0    58 158 0      C-13-H3C(O)CH3
  571357.4458  0.0130 -5.4709 3  129.4317360  5951614042217 5 2    2114 8 2      C-13-H3C(O)CH3
  571372.9578  0.0873 -6.3283 3 1025.9315476  595161404594613 3    584711 3      C-13-H3C(O)CH3
  571391.9896  0.0050 -4.3914 3  125.8524392  59516140424 816 2    23 717 2      C-13-H3C(O)CH3
  571392.0061  0.0050 -4.3914 3  125.8524392  59516140424 916 2    23 617 2      C-13-H3C(O)CH3
  571407.6444  0.0050 -4.3915 3  125.8534392  59516140424 816 1    23 717 1      C-13-H3C(O)CH3
  571407.6600  0.0050 -4.3915 3  125.8534392  59516140424 916 1    23 617 1      C-13-H3C(O)CH3
  571427.6296  0.0321 -4.8990 3  660.4593792  595161404493119 0    483216 0      C-13-H3C(O)CH3
  571443.9529  0.0587 -5.9157 3  902.2355452  595161404564116 3    554214 3      C-13-H3C(O)CH3
  571469.4602  0.0829 -6.3285 3 1025.9185476  595161404594614 3    584712 3      C-13-H3C(O)CH3
  571482.0699  0.0148 -4.1286 3  365.6252300  595161404372216 4    362115 4      C-13-H3C(O)CH3
  571488.4090  0.0189 -5.8939 3  268.3634504  5951614043123 8 1    3022 9 1      C-13-H3C(O)CH3
  571491.8112  0.0166 -4.1287 3  365.6250300  595161404372216 3    362115 3      C-13-H3C(O)CH3
  571495.4754  0.0655 -5.9157 3  902.2348452  595161404564116 4    554214 4      C-13-H3C(O)CH3
  571524.6800  0.0943 -6.3283 3 1025.9464476  595161404594613 4    584711 4      C-13-H3C(O)CH3
  571545.9827  0.2287 -6.3114 3 1739.8881E32  595161404892168 1    892069 1      C-13-H3C(O)CH3
  571545.9827  0.2287 -6.3114 3 1739.8881E32  595161404892268 1    892169 1      C-13-H3C(O)CH3
  571557.8267  0.2219 -6.2464 3 1739.8906E32  595161404892268 2    892069 2      C-13-H3C(O)CH3
  571557.8267  0.2219 -6.2464 3 1739.8906E32  595161404892168 2    892169 2      C-13-H3C(O)CH3
  571569.6634  0.0457 -5.4638 3  932.2375580  59516140472 667 4    72 468 4      C-13-H3C(O)CH3
  571569.6634  0.0457 -5.4638 3  932.2375580  59516140472 567 4    72 568 4      C-13-H3C(O)CH3
  571570.3211  0.0456 -5.4551 3  932.2375580  59516140472 567 3    72 468 3      C-13-H3C(O)CH3
  571570.3211  0.0456 -5.4551 3  932.2375580  59516140472 667 3    72 568 3      C-13-H3C(O)CH3
  571573.2611  0.2157 -6.4288 3 1739.8666E32  595161404892268 0    892169 0      C-13-H3C(O)CH3
  571573.2611  0.2157 -6.4288 3 1739.8666E32  595161404892168 0    892069 0      C-13-H3C(O)CH3
  571582.8002  0.0140 -3.8278 3  365.6433600  595161404372216 2    362115 2      C-13-H3C(O)CH3
  571655.9026  0.0489 -6.3597 3  660.4574396  595161404493119 3    483217 3      C-13-H3C(O)CH3
  571667.5237  0.0677 -5.4654 3  756.6487420  595161404523518 4    513616 4      C-13-H3C(O)CH3
  571727.5118  0.0193 -5.8952 3  129.4289180  5951614042217 5 4    2114 8 4      C-13-H3C(O)CH3
  571732.4389  0.1280 -6.2744 3  756.6783420  595161404523518 3    513615 3      C-13-H3C(O)CH3
  571733.0586  0.0049 -4.3907 3  125.8328392  59516140424 816 0    23 717 0      C-13-H3C(O)CH3
  571733.0747  0.0049 -4.3907 3  125.8328392  59516140424 916 0    23 617 0      C-13-H3C(O)CH3
  571734.1819  0.0946 -5.9804 3  932.2623B60  59516140472 567 1    72 468 1      C-13-H3C(O)CH3
  571734.1819  0.0946 -5.9804 3  932.2623B60  59516140472 667 1    72 568 1      C-13-H3C(O)CH3
  571734.1819  0.0946 -5.2239 3  932.2623B60  59516140472 667 1    72 468 1      C-13-H3C(O)CH3
  571734.1819  0.0946 -5.2239 3  932.2623B60  59516140472 567 1    72 568 1      C-13-H3C(O)CH3
  571736.3493  0.0942 -5.1977 3  932.2620B60  59516140472 667 2    72 568 2      C-13-H3C(O)CH3
  571736.3493  0.0942 -6.1703 3  932.2620B60  59516140472 567 2    72 568 2      C-13-H3C(O)CH3
  571736.3493  0.0942 -5.1977 3  932.2620B60  59516140472 567 2    72 468 2      C-13-H3C(O)CH3
  571736.3493  0.0942 -6.1703 3  932.2620B60  59516140472 667 2    72 468 2      C-13-H3C(O)CH3
  571797.7998  0.0624 -5.1675 3  756.6374840  595161404523518 2    513616 2      C-13-H3C(O)CH3
  571859.7181  0.0575 -5.5369 3  756.6740420  595161404523518 3    513616 3      C-13-H3C(O)CH3
  571867.2634  0.0035 -3.6686 3  449.7404680  595161404421923 0    412022 0      C-13-H3C(O)CH3
  571869.1020  0.0035 -3.6686 3  449.7404680  595161404422023 0    411922 0      C-13-H3C(O)CH3
  571877.3936  0.0044 -3.6686 3  449.7159680  595161404421923 1    412022 1      C-13-H3C(O)CH3
  571879.3037  0.0044 -3.6686 3  449.7158680  595161404422023 1    411922 1      C-13-H3C(O)CH3
  571881.5417  0.0448 -5.4653 3  888.8321572  59516140471 567 4    71 468 4      C-13-H3C(O)CH3
  571881.5417  0.0448 -5.4653 3  888.8321572  59516140471 467 4    71 368 4      C-13-H3C(O)CH3
  571881.7761  0.0040 -4.4285 3  539.2135420 -59516140452 944 4    51 843 4      C-13-H3C(O)CH3
  571881.7761  0.0039 -5.2023 3  539.2135420 -59516140452 844 3    51 843 3      C-13-H3C(O)CH3
  571881.7761  0.0040 -3.9105 3  539.2135420 -59516140452 944 4    51 943 4      C-13-H3C(O)CH3
  571881.7761  0.0040 -4.4285 3  539.2135420 -59516140452 844 4    51 943 4      C-13-H3C(O)CH3
  571881.7761  0.0039 -3.8128 3  539.2135420 -59516140452 844 3    51 943 3      C-13-H3C(O)CH3
  571881.7761  0.0040 -3.9105 3  539.2135420 -59516140452 844 4    51 843 4      C-13-H3C(O)CH3
  571881.7761  0.0039 -3.8128 3  539.2135420 -59516140452 944 3    51 843 3      C-13-H3C(O)CH3
  571881.7761  0.0039 -5.2023 3  539.2135420 -59516140452 944 3    51 943 3      C-13-H3C(O)CH3
  571882.2580  0.0446 -5.9955 3  888.8320572  59516140471 567 3    71 468 3      C-13-H3C(O)CH3
  571882.2580  0.0446 -5.6080 3  888.8320572  59516140471 567 3    71 368 3      C-13-H3C(O)CH3
  571882.2580  0.0446 -5.9955 3  888.8320572  59516140471 467 3    71 368 3      C-13-H3C(O)CH3
  571882.2580  0.0446 -5.6080 3  888.8320572  59516140471 467 3    71 468 3      C-13-H3C(O)CH3
  571887.9151  0.0046 -3.6686 3  449.7131680  595161404421923 2    412022 2      C-13-H3C(O)CH3
  571889.8968  0.0046 -3.6686 3  449.7131680  595161404422023 2    411922 2      C-13-H3C(O)CH3
  571896.7377  0.0060 -3.6002 3  539.2422840 -59516140452 844 1    51 943 1      C-13-H3C(O)CH3
  571896.7377  0.0059 -3.5893 3  539.2417840 -59516140452 844 2    51 943 2      C-13-H3C(O)CH3
  571896.7377  0.0059 -4.2019 3  539.2417840 -59516140452 944 2    51 943 2      C-13-H3C(O)CH3
  571896.7377  0.0060 -4.1599 3  539.2422840 -59516140452 944 1    51 943 1      C-13-H3C(O)CH3
  571896.7377  0.0060 -4.1599 3  539.2422840 -59516140452 844 1    51 843 1      C-13-H3C(O)CH3
  571896.7377  0.0059 -4.2019 3  539.2417840 -59516140452 844 2    51 843 2      C-13-H3C(O)CH3
  571896.7377  0.0059 -3.5893 3  539.2417840 -59516140452 944 2    51 843 2      C-13-H3C(O)CH3
  571896.7377  0.0060 -3.6002 3  539.2422840 -59516140452 944 1    51 843 1      C-13-H3C(O)CH3
  571898.0001  0.0047 -3.9696 3  449.6885340  595161404421923 4    412022 4      C-13-H3C(O)CH3
  571898.0452  0.0047 -3.9696 3  449.6885340  595161404421923 3    412022 3      C-13-H3C(O)CH3
  571900.0374  0.0493 -5.6364 3  932.2868B60  59516140472 667 0    72 568 0      C-13-H3C(O)CH3
  571900.0374  0.0493 -5.3268 3  932.2868B60  59516140472 567 0    72 568 0      C-13-H3C(O)CH3
  571900.0374  0.0493 -5.6364 3  932.2868B60  59516140472 567 0    72 468 0      C-13-H3C(O)CH3
  571900.0374  0.0493 -5.3268 3  932.2868B60  59516140472 667 0    72 468 0      C-13-H3C(O)CH3
  571900.0509  0.0047 -3.9696 3  449.6884340  595161404422023 4    411922 4      C-13-H3C(O)CH3
  571900.1050  0.0047 -3.9696 3  449.6885340  595161404422023 3    411922 3      C-13-H3C(O)CH3
  571911.3829  0.0036 -3.5357 3  539.2703840 -59516140452 844 0    51 843 0      C-13-H3C(O)CH3
  571911.3829  0.0036 -4.5381 3  539.2703840 -59516140452 944 0    51 843 0      C-13-H3C(O)CH3
  571911.3829  0.0036 -4.0535 3  539.2703840 -59516140452 944 0    51 943 0      C-13-H3C(O)CH3
  571911.3829  0.0036 -3.6348 3  539.2703840 -59516140452 844 0    51 943 0      C-13-H3C(O)CH3
  571981.6001  0.0575 -5.1704 3  756.6274840  595161404523518 1    513616 1      C-13-H3C(O)CH3
  572002.8649  0.0569 -5.1630 3  756.6161840  595161404523518 0    513615 0      C-13-H3C(O)CH3
  572100.3445  0.0448 -5.5367 3  756.6783420  595161404523517 3    513615 3      C-13-H3C(O)CH3
  572116.1549  0.0036 -3.6407 3  462.5293696  595161404431825 0    421924 0      C-13-H3C(O)CH3
  572116.1841  0.0036 -3.6407 3  462.5293696  595161404431925 0    421824 0      C-13-H3C(O)CH3
  572128.3457  0.0046 -3.6406 3  462.5041696  595161404431825 1    421924 1      C-13-H3C(O)CH3
  572128.3770  0.0046 -3.6406 3  462.5041696  595161404431925 1    421824 1      C-13-H3C(O)CH3
  572135.6088  0.0048 -3.6406 3  462.5020696  595161404431825 2    421924 2      C-13-H3C(O)CH3
  572135.6414  0.0048 -3.6406 3  462.5020696  595161404431925 2    421824 2      C-13-H3C(O)CH3
  572147.7877  0.0049 -3.9416 3  462.4767348  595161404431825 4    421924 4      C-13-H3C(O)CH3
  572147.8176  0.0050 -3.9416 3  462.4767348  595161404431825 3    421924 3      C-13-H3C(O)CH3
  572147.8223  0.0049 -3.9416 3  462.4767348  595161404431925 4    421824 4      C-13-H3C(O)CH3
  572147.8525  0.0050 -3.9416 3  462.4767348  595161404431925 3    421824 3      C-13-H3C(O)CH3
  572155.3692  0.0034 -3.7069 3  436.2725664  595161404412021 0    402120 0      C-13-H3C(O)CH3
  572155.4554  0.0519 -5.7960 3  846.0156564  59516140470 467 4    70 368 4      C-13-H3C(O)CH3
  572155.4554  0.0519 -5.7960 3  846.0156564  59516140470 367 4    70 268 4      C-13-H3C(O)CH3
  572155.4554  0.0519 -5.7899 3  846.0156564  59516140470 467 4    70 268 4      C-13-H3C(O)CH3
  572155.4554  0.0519 -5.7899 3  846.0156564  59516140470 367 4    70 368 4      C-13-H3C(O)CH3
  572155.9789  0.0515 -5.4950 3  846.0156564  59516140470 467 3    70 368 3      C-13-H3C(O)CH3
  572155.9789  0.0515 -5.4950 3  846.0156564  59516140470 367 3    70 268 3      C-13-H3C(O)CH3
  572160.3672  0.0041 -3.7069 3  436.2488664  595161404412021 1    402120 1      C-13-H3C(O)CH3
  572175.8108  0.0044 -3.7070 3  436.2449664  595161404412021 2    402120 2      C-13-H3C(O)CH3
  572180.7272  0.0045 -4.0080 3  436.2211332  595161404412021 4    402120 4      C-13-H3C(O)CH3
  572180.7284  0.0045 -4.0080 3  436.2211332  595161404412021 3    402120 3      C-13-H3C(O)CH3
  572188.3248  0.0086 -4.0072 3  203.1827456  595161404281612 2    271513 2      C-13-H3C(O)CH3
  572188.4189  0.2439 -6.2958 3 1686.6389E16  595161404882068 1    882069 1      C-13-H3C(O)CH3
  572188.4189  0.2439 -6.2958 3 1686.6389E16  595161404882168 1    881969 1      C-13-H3C(O)CH3
  572193.8129  0.0812 -5.3450 3  888.8457B44  59516140471 567 1    71 468 1      C-13-H3C(O)CH3
  572193.8129  0.0812 -5.6122 3  888.8457B44  59516140471 567 1    71 368 1      C-13-H3C(O)CH3
  572193.8129  0.0812 -5.3450 3  888.8457B44  59516140471 467 1    71 368 1      C-13-H3C(O)CH3
  572193.8129  0.0812 -5.6122 3  888.8457B44  59516140471 467 1    71 468 1      C-13-H3C(O)CH3
  572196.2707  0.0797 -5.4172 3  888.8454B44  59516140471 567 2    71 368 2      C-13-H3C(O)CH3
  572196.2707  0.0797 -5.5037 3  888.8454B44  59516140471 567 2    71 468 2      C-13-H3C(O)CH3
  572196.2707  0.0797 -5.4533 3  888.8454B44  59516140471 467 2    71 368 2      C-13-H3C(O)CH3
  572196.2707  0.0797 -5.4633 3  888.8454B44  59516140471 467 2    71 468 2      C-13-H3C(O)CH3
  572197.9970  0.2184 -6.3121 3 1686.6169E16  595161404882168 0    882069 0      C-13-H3C(O)CH3
  572197.9970  0.2184 -6.3121 3 1686.6169E16  595161404882068 0    881969 0      C-13-H3C(O)CH3
  572200.2308  0.2371 -6.4172 3 1686.6408E16  595161404882168 2    882069 2      C-13-H3C(O)CH3
  572200.2308  0.2371 -6.4172 3 1686.6408E16  595161404882068 2    881969 2      C-13-H3C(O)CH3
  572201.4632  0.0478 -5.1673 3  756.6669840  595161404523517 2    513615 2      C-13-H3C(O)CH3
  572207.4894  0.0419 -5.3679 3  660.4352792  595161404493119 2    483217 2      C-13-H3C(O)CH3
  572227.6237  0.1088 -6.2733 3  756.6740420  595161404523517 3    513616 3      C-13-H3C(O)CH3
  572236.6410  0.0034 -3.7068 3  436.2703664  595161404412121 0    402020 0      C-13-H3C(O)CH3
  572243.2018  0.0041 -3.7067 3  436.2466664  595161404412121 1    402020 1      C-13-H3C(O)CH3
  572251.0981  0.0589 -5.1701 3  756.6527840  595161404523517 1    513615 1      C-13-H3C(O)CH3
  572252.2582  0.0349 -5.4843 3  660.4329792  595161404493119 1    483217 1      C-13-H3C(O)CH3
  572261.2017  0.0043 -3.7068 3  436.2426664  595161404412121 2    402020 2      C-13-H3C(O)CH3
  572267.5688  0.0045 -4.0078 3  436.2188332  595161404412121 4    402020 4      C-13-H3C(O)CH3
  572267.7899  0.0045 -4.0078 3  436.2188332  595161404412121 3    402020 3      C-13-H3C(O)CH3
  572270.0733  0.0573 -5.1626 3  756.6159840  595161404523517 0    513616 0      C-13-H3C(O)CH3
  572294.2967  0.0454 -5.4650 3  756.7036420  595161404523517 4    513615 4      C-13-H3C(O)CH3
  572302.1890  0.0075 -4.0072 3  203.1953456  595161404281612 0    271513 0      C-13-H3C(O)CH3
  572331.3168  0.0116 -4.3084 3  203.1751228  595161404281612 3    271513 3      C-13-H3C(O)CH3
  572345.9004  0.0117 -4.3084 3  203.1751228  595161404281612 4    271513 4      C-13-H3C(O)CH3
  572388.1541  0.0707 -5.7034 3  803.7899556  59516140469 367 3    69 268 3      C-13-H3C(O)CH3
  572388.1541  0.0707 -6.1762 3  803.7899556  59516140469 367 3    69 168 3      C-13-H3C(O)CH3
  572388.1541  0.0707 -6.1762 3  803.7899556  59516140469 267 3    69 268 3      C-13-H3C(O)CH3
  572388.1541  0.0707 -5.7034 3  803.7899556  59516140469 267 3    69 168 3      C-13-H3C(O)CH3
  572388.2976  0.0713 -5.8268 3  803.7899556  59516140469 267 4    69 268 4      C-13-H3C(O)CH3
  572388.2976  0.0713 -5.9370 3  803.7899556  59516140469 367 4    69 268 4      C-13-H3C(O)CH3
  572388.2976  0.0713 -5.8268 3  803.7899556  59516140469 367 4    69 168 4      C-13-H3C(O)CH3
  572388.2976  0.0713 -5.9370 3  803.7899556  59516140469 267 4    69 168 4      C-13-H3C(O)CH3
  572423.4736  0.0470 -5.5202 3  660.4264396  595161404493119 4    483217 4      C-13-H3C(O)CH3
  572436.9880  0.0120 -6.3608 3   93.1674312  5951614041915 5 0    1810 8 0      C-13-H3C(O)CH3
  572448.6526  0.0090 -4.0074 3  203.1877456  595161404281612 1    271513 1      C-13-H3C(O)CH3
  572507.4632  0.0457 -5.1727 3  888.8591B44  59516140471 567 0    71 468 0      C-13-H3C(O)CH3
  572507.4632  0.0457 -5.1727 3  888.8591B44  59516140471 467 0    71 368 0      C-13-H3C(O)CH3
  572575.3145  0.1044 -6.4005 3  762.1567548  59516140468 267 3    68 168 3      C-13-H3C(O)CH3
  572575.3145  0.1044 -5.9109 3  762.1567548  59516140468 167 3    68 168 3      C-13-H3C(O)CH3
  572575.3145  0.1044 -6.4005 3  762.1567548  59516140468 167 3    68 068 3      C-13-H3C(O)CH3
  572575.3145  0.1044 -5.9109 3  762.1567548  59516140468 267 3    68 068 3      C-13-H3C(O)CH3
  572576.9386  0.1046 -5.7904 3  762.1567548  59516140468 167 4    68 068 4      C-13-H3C(O)CH3
  572576.9386  0.1046 -5.7904 3  762.1567548  59516140468 267 4    68 168 4      C-13-H3C(O)CH3
  572625.5319  0.2297 -6.3235 3 1075.6556A16  595161404633528 1    623825 1      C-13-H3C(O)CH3
  572628.0641  0.0524 -4.6387 3  477.8578340  595161404422517 3    412616 3      C-13-H3C(O)CH3
  572655.1302  0.0698 -5.2024 3  846.0118B28  59516140470 367 1    70 368 1      C-13-H3C(O)CH3
  572655.1302  0.0698 -5.2024 3  846.0118B28  59516140470 467 1    70 268 1      C-13-H3C(O)CH3
  572656.9084  0.0653 -5.6740 3  846.0114B28  59516140470 467 2    70 268 2      C-13-H3C(O)CH3
  572656.9084  0.0653 -5.3626 3  846.0114B28  59516140470 367 2    70 268 2      C-13-H3C(O)CH3
  572656.9084  0.0653 -5.6740 3  846.0114B28  59516140470 367 2    70 368 2      C-13-H3C(O)CH3
  572656.9084  0.0653 -5.3626 3  846.0114B28  59516140470 467 2    70 368 2      C-13-H3C(O)CH3
  572665.8799  0.0052 -4.0698 3  421.9999324  595161404402119 3    392218 3      C-13-H3C(O)CH3
  572667.2189  0.0052 -4.0698 3  421.9999324  595161404402119 4    392218 4      C-13-H3C(O)CH3
  572670.7898  0.0036 -3.6188 3  474.6876712  595161404441727 0    431826 0      C-13-H3C(O)CH3
  572670.7902  0.0036 -3.6188 3  474.6876712  595161404441827 0    431726 0      C-13-H3C(O)CH3
  572673.6925  0.0100 -6.1365 3  406.1958648  595161404401822 0    401525 0      C-13-H3C(O)CH3
  572673.8170  0.0042 -3.7685 3  422.0278648  595161404402119 1    392218 1      C-13-H3C(O)CH3
  572674.1809  0.0100 -6.1365 3  406.1958648  595161404401922 0    401625 0      C-13-H3C(O)CH3
  572678.1692  0.0053 -3.7687 3  422.0225648  595161404402119 2    392218 2      C-13-H3C(O)CH3
  572683.5090  0.0048 -3.6188 3  474.6617712  595161404441727 1    431826 1      C-13-H3C(O)CH3
  572683.5094  0.0048 -3.6188 3  474.6617712  595161404441827 1    431726 1      C-13-H3C(O)CH3
  572685.5067  0.0039 -3.7685 3  422.0503648  595161404402119 0    392218 0      C-13-H3C(O)CH3
  572688.7643  0.0050 -3.6188 3  474.6601712  595161404441727 2    431826 2      C-13-H3C(O)CH3
  572688.7647  0.0050 -3.6188 3  474.6601712  595161404441827 2    431726 2      C-13-H3C(O)CH3
  572696.7464  0.0500 -4.6406 3  477.8557340  595161404422517 4    412616 4      C-13-H3C(O)CH3
  572700.9957  0.0117 -6.1371 3  406.1667648  595161404401822 2    401525 2      C-13-H3C(O)CH3
  572701.4846  0.0051 -3.9198 3  474.6341356  595161404441727 4    431826 4      C-13-H3C(O)CH3
  572701.4851  0.0051 -3.9198 3  474.6341356  595161404441827 4    431726 4      C-13-H3C(O)CH3
  572701.5081  0.0051 -3.9198 3  474.6341356  595161404441727 3    431826 3      C-13-H3C(O)CH3
  572701.5086  0.0051 -3.9198 3  474.6341356  595161404441827 3    431726 3      C-13-H3C(O)CH3
  572701.5229  0.0117 -6.1371 3  406.1667648  595161404401922 2    401625 2      C-13-H3C(O)CH3
  572727.0498  0.2346 -6.3229 3 1075.6555A16  595161404633528 2    623825 2      C-13-H3C(O)CH3
  572729.3443  0.0113 -6.1355 3  406.1684648  595161404401822 1    401525 1      C-13-H3C(O)CH3
  572729.8504  0.0113 -6.1355 3  406.1684648  595161404401922 1    401625 1      C-13-H3C(O)CH3
  572756.7097  0.0123 -6.4369 3  406.1392324  595161404401822 4    401525 4      C-13-H3C(O)CH3
  572756.8037  0.0122 -6.4369 3  406.1392324  595161404401822 3    401525 3      C-13-H3C(O)CH3
  572757.2536  0.0123 -6.4369 3  406.1392324  595161404401922 4    401625 4      C-13-H3C(O)CH3
  572757.3502  0.0122 -6.4369 3  406.1392324  595161404401922 3    401625 3      C-13-H3C(O)CH3
  572802.1587  0.2196 -6.2089 3 1633.9392E00  595161404871968 0    871869 0      C-13-H3C(O)CH3
  572802.1587  0.2196 -6.2089 3 1633.9392E00  595161404872068 0    871969 0      C-13-H3C(O)CH3
  572812.9668  0.2548 -6.1292 3 1633.9606E00  595161404871968 1    871869 1      C-13-H3C(O)CH3
  572812.9668  0.2548 -6.1292 3 1633.9606E00  595161404872068 1    871969 1      C-13-H3C(O)CH3
  572824.1872  0.2488 -6.2594 3 1633.9620E00  595161404871968 2    871969 2      C-13-H3C(O)CH3
  572824.1872  0.2488 -6.0587 3 1633.9620E00  595161404872068 2    871969 2      C-13-H3C(O)CH3
  572835.0708  0.1565 -6.3688 3 1633.9835700  595161404871968 3    871869 3      C-13-H3C(O)CH3
  572835.0708  0.1565 -6.3688 3 1633.9835700  595161404872068 3    871969 3      C-13-H3C(O)CH3
  572835.1605  0.1565 -6.3680 3 1633.9835700  595161404871968 4    871869 4      C-13-H3C(O)CH3
  572835.1605  0.1565 -6.3680 3 1633.9835700  595161404872068 4    871969 4      C-13-H3C(O)CH3
  572854.6049  0.0502 -4.3376 3  477.8729680  595161404422517 2    412616 2      C-13-H3C(O)CH3
  572920.2465  0.1320 -6.3468 3  860.7212888  595161404553916 0    553619 0      C-13-H3C(O)CH3
  572959.4686  0.2488 -6.3231 3 1075.6383A16  595161404633528 0    623825 0      C-13-H3C(O)CH3
  572960.1115  0.0073 -5.0685 3  101.8428188  59516140423 618 3    22 319 3      C-13-H3C(O)CH3
  572960.1115  0.0073 -5.0710 3  101.8428188  59516140423 518 3    22 419 3      C-13-H3C(O)CH3
  572960.2673  0.0091 -5.0690 3  101.8428188  59516140423 618 4    22 319 4      C-13-H3C(O)CH3
  572960.2673  0.0091 -5.0717 3  101.8428188  59516140423 518 4    22 419 4      C-13-H3C(O)CH3
  572979.5159  0.0037 -3.8190 3  545.7218428 -59516140453 846 3    52 845 3      C-13-H3C(O)CH3
  572979.5159  0.0038 -4.0561 3  545.7217428 -59516140453 846 4    52 845 4      C-13-H3C(O)CH3
  572979.5159  0.0038 -4.1185 3  545.7217428 -59516140453 846 4    52 745 4      C-13-H3C(O)CH3
  572979.5159  0.0037 -4.9098 3  545.7218428 -59516140453 846 3    52 745 3      C-13-H3C(O)CH3
  572979.5159  0.0037 -4.9098 3  545.7218428 -59516140453 746 3    52 845 3      C-13-H3C(O)CH3
  572979.5159  0.0037 -3.8190 3  545.7218428 -59516140453 746 3    52 745 3      C-13-H3C(O)CH3
  572979.5159  0.0038 -4.7419 3  545.7217428 -59516140453 746 4    52 845 4      C-13-H3C(O)CH3
  572979.5159  0.0038 -3.8360 3  545.7217428 -59516140453 746 4    52 745 4      C-13-H3C(O)CH3
  572998.8079  0.0057 -6.0975 3  545.7484856 -59516140453 846 1    52 745 1      C-13-H3C(O)CH3
  572998.8079  0.0056 -5.7152 3  545.7480856 -59516140453 746 2    52 745 2      C-13-H3C(O)CH3
  572998.8079  0.0057 -3.4852 3  545.7484856 -59516140453 746 1    52 745 1      C-13-H3C(O)CH3
  572998.8079  0.0056 -3.4867 3  545.7480856 -59516140453 846 2    52 745 2      C-13-H3C(O)CH3
  572998.8079  0.0056 -5.7152 3  545.7480856 -59516140453 846 2    52 845 2      C-13-H3C(O)CH3
  572998.8079  0.0057 -6.0975 3  545.7484856 -59516140453 746 1    52 845 1      C-13-H3C(O)CH3
  572998.8079  0.0056 -3.4867 3  545.7480856 -59516140453 746 2    52 845 2      C-13-H3C(O)CH3
  572998.8079  0.0057 -3.4852 3  545.7484856 -59516140453 846 1    52 845 1      C-13-H3C(O)CH3
  573018.0041  0.0035 -4.1299 3  545.7746856 -59516140453 846 0    52 845 0      C-13-H3C(O)CH3
  573018.0041  0.0035 -4.1299 3  545.7746856 -59516140453 746 0    52 745 0      C-13-H3C(O)CH3
  573018.0041  0.0035 -3.5955 3  545.7746856 -59516140453 846 0    52 745 0      C-13-H3C(O)CH3
  573018.0041  0.0035 -3.5955 3  545.7746856 -59516140453 746 0    52 845 0      C-13-H3C(O)CH3
  573120.1173  0.0961 -5.7303 3  803.7605B12  59516140469 367 2    69 268 2      C-13-H3C(O)CH3
  573120.1173  0.0961 -5.4622 3  803.7605B12  59516140469 267 2    69 268 2      C-13-H3C(O)CH3
  573120.1173  0.0961 -5.7303 3  803.7605B12  59516140469 267 2    69 168 2      C-13-H3C(O)CH3
  573120.1173  0.0961 -5.4622 3  803.7605B12  59516140469 367 2    69 168 2      C-13-H3C(O)CH3
  573120.5806  0.1013 -5.2961 3  803.7609B12  59516140469 267 1    69 168 1      C-13-H3C(O)CH3
  573120.5806  0.1013 -5.2961 3  803.7609B12  59516140469 367 1    69 268 1      C-13-H3C(O)CH3
  573155.3500  0.0484 -6.1178 3  846.0076B28  59516140470 367 0    70 268 0      C-13-H3C(O)CH3
  573155.3500  0.0484 -5.2435 3  846.0076B28  59516140470 367 0    70 368 0      C-13-H3C(O)CH3
  573155.3500  0.0484 -6.1178 3  846.0076B28  59516140470 467 0    70 368 0      C-13-H3C(O)CH3
  573155.3500  0.0484 -5.2435 3  846.0076B28  59516140470 467 0    70 268 0      C-13-H3C(O)CH3
  573189.1552  0.1445 -6.4359 3  860.7536888  595161404553916 1    553619 1      C-13-H3C(O)CH3
  573286.7741  0.0169 -6.0568 3  583.4022760  595161404472423 0    472126 0      C-13-H3C(O)CH3
  573312.0749  0.1218 -6.4172 3  860.7603888  595161404553916 2    553619 2      C-13-H3C(O)CH3
  573317.4804  0.0268 -4.3348 3  477.8734680  595161404422517 1    412616 1      C-13-H3C(O)CH3
  573346.9499  0.0169 -6.0567 3  583.4022760  595161404472523 0    472226 0      C-13-H3C(O)CH3
  573351.1403  0.0254 -6.0567 3  583.3831760  595161404472423 2    472126 2      C-13-H3C(O)CH3
  573380.7935  0.0184 -6.0558 3  583.3846760  595161404472423 1    472126 1      C-13-H3C(O)CH3
  573386.7530  0.2173 -6.1747 3 1581.8345D84  595161404861868 0    861769 0      C-13-H3C(O)CH3
  573386.7530  0.2173 -6.3984 3 1581.8345D84  595161404861868 0    861869 0      C-13-H3C(O)CH3
  573386.7530  0.2173 -6.3984 3 1581.8345D84  595161404861968 0    861769 0      C-13-H3C(O)CH3
  573386.7530  0.2173 -6.1747 3 1581.8345D84  595161404861968 0    861869 0      C-13-H3C(O)CH3
  573406.5743  0.0037 -3.6010 3  486.2437728  595161404451629 0    441728 0      C-13-H3C(O)CH3
  573406.5743  0.0037 -3.6010 3  486.2437728  595161404451729 0    441628 0      C-13-H3C(O)CH3
  573415.1568  0.0250 -6.0566 3  583.3831760  595161404472523 2    472226 2      C-13-H3C(O)CH3
  573418.7563  0.0051 -3.6009 3  486.2171728  595161404451729 1    441628 1      C-13-H3C(O)CH3
  573418.7563  0.0051 -3.6009 3  486.2171728  595161404451629 1    441728 1      C-13-H3C(O)CH3
  573420.1494  0.2591 -6.0247 3 1581.8544D84  595161404861868 1    861869 1      C-13-H3C(O)CH3
  573420.1494  0.2591 -6.0247 3 1581.8544D84  595161404861968 1    861769 1      C-13-H3C(O)CH3
  573422.6858  0.0052 -3.6009 3  486.2158728  595161404451629 2    441728 2      C-13-H3C(O)CH3
  573422.6858  0.0052 -3.6009 3  486.2158728  595161404451729 2    441628 2      C-13-H3C(O)CH3
  573424.7538  0.0083 -4.7664 3  101.8011376  59516140423 618 2    22 319 2      C-13-H3C(O)CH3
  573424.7538  0.0083 -4.7675 3  101.8011376  59516140423 518 2    22 419 2      C-13-H3C(O)CH3
  573430.3023  0.2544 -5.9719 3 1581.8553D84  595161404861968 2    861869 2      C-13-H3C(O)CH3
  573430.3023  0.2544 -5.9719 3 1581.8553D84  595161404861868 2    861769 2      C-13-H3C(O)CH3
  573432.0778  0.0084 -4.7675 3  101.8017376  59516140423 618 1    22 319 1      C-13-H3C(O)CH3
  573432.0778  0.0084 -4.7675 3  101.8017376  59516140423 518 1    22 419 1      C-13-H3C(O)CH3
  573434.8719  0.0052 -3.9019 3  486.1892364  595161404451629 4    441728 4      C-13-H3C(O)CH3
  573434.8719  0.0052 -3.9019 3  486.1892364  595161404451729 4    441628 4      C-13-H3C(O)CH3
  573434.8944  0.0052 -3.9019 3  486.1892364  595161404451629 3    441728 3      C-13-H3C(O)CH3
  573434.8944  0.0052 -3.9019 3  486.1892364  595161404451729 3    441628 3      C-13-H3C(O)CH3
  573443.6108  0.0185 -6.0558 3  583.3846760  595161404472523 1    472226 1      C-13-H3C(O)CH3
  573445.2722  0.0265 -6.3568 3  583.3655380  595161404472423 3    472126 3      C-13-H3C(O)CH3
  573445.6045  0.0268 -6.3568 3  583.3654380  595161404472423 4    472126 4      C-13-H3C(O)CH3
  573463.7960  0.1522 -6.2753 3 1581.8753692  595161404861868 3    861869 3      C-13-H3C(O)CH3
  573463.7960  0.1522 -6.2753 3 1581.8753692  595161404861968 3    861769 3      C-13-H3C(O)CH3
  573463.9166  0.1523 -6.3641 3 1581.8753692  595161404861968 4    861769 4      C-13-H3C(O)CH3
  573463.9166  0.1523 -6.3641 3 1581.8753692  595161404861868 4    861869 4      C-13-H3C(O)CH3
  573512.1208  0.0262 -6.3567 3  583.3655380  595161404472523 3    472226 3      C-13-H3C(O)CH3
  573512.2727  0.0264 -6.3567 3  583.3654380  595161404472523 4    472226 4      C-13-H3C(O)CH3
  573515.6774  0.0292 -4.3338 3  477.8894680  595161404422517 0    412616 0      C-13-H3C(O)CH3
  573587.7811  0.1854 -5.5285 3  762.0928A96  59516140468 267 2    68 168 2      C-13-H3C(O)CH3
  573587.7811  0.1854 -5.5285 3  762.0928A96  59516140468 167 2    68 068 2      C-13-H3C(O)CH3
  573592.7640  0.1880 -5.5873 3  762.0931A96  59516140468 167 1    68 068 1      C-13-H3C(O)CH3
  573592.7640  0.1880 -6.1679 3  762.0931A96  59516140468 167 1    68 168 1      C-13-H3C(O)CH3
  573592.7640  0.1880 -5.5873 3  762.0931A96  59516140468 267 1    68 168 1      C-13-H3C(O)CH3
  573592.7640  0.1880 -6.1679 3  762.0931A96  59516140468 267 1    68 068 1      C-13-H3C(O)CH3
  573669.0216  0.0122 -6.3638 3   77.1805180  59516140422 320 3    21 021 3      C-13-H3C(O)CH3
  573669.0216  0.0122 -6.3638 3   77.1805180  59516140422 220 3    21 121 3      C-13-H3C(O)CH3
  573669.0216  0.0122 -6.2418 3   77.1805180  59516140422 320 3    21 121 3      C-13-H3C(O)CH3
  573669.0216  0.0122 -6.2418 3   77.1805180  59516140422 220 3    21 021 3      C-13-H3C(O)CH3
  573669.7548  0.0139 -6.0987 3   77.1805180  59516140422 220 4    21 121 4      C-13-H3C(O)CH3
  573669.7548  0.0139 -6.0987 3   77.1805180  59516140422 320 4    21 021 4      C-13-H3C(O)CH3
  573851.1986  0.0766 -5.2774 3  803.7315B12  59516140469 267 0    69 168 0      C-13-H3C(O)CH3
  573851.1986  0.0766 -5.2774 3  803.7315B12  59516140469 367 0    69 268 0      C-13-H3C(O)CH3
  573887.8834  0.0403 -4.4901 3  453.6419332  595161404412417 3    402516 3      C-13-H3C(O)CH3
  573895.6838  0.0079 -4.7652 3  101.7601376  59516140423 518 0    22 419 0      C-13-H3C(O)CH3
  573895.6838  0.0079 -4.7658 3  101.7601376  59516140423 618 0    22 319 0      C-13-H3C(O)CH3
  573923.3288  0.0392 -4.4905 3  453.6409332  595161404412417 4    402516 4      C-13-H3C(O)CH3
  573953.0255  0.2106 -5.8977 3 1530.3037D68  595161404851868 0    851669 0      C-13-H3C(O)CH3
  573953.0255  0.2106 -5.8977 3 1530.3037D68  595161404851768 0    851769 0      C-13-H3C(O)CH3
  574010.5300  0.2557 -5.8878 3 1530.3211D68  595161404851868 1    851669 1      C-13-H3C(O)CH3
  574010.5300  0.2557 -5.8878 3 1530.3211D68  595161404851768 1    851769 1      C-13-H3C(O)CH3
  574019.2444  0.2524 -5.9209 3 1530.3217D68  595161404851768 2    851669 2      C-13-H3C(O)CH3
  574019.2444  0.2524 -5.9209 3 1530.3217D68  595161404851868 2    851769 2      C-13-H3C(O)CH3
  574036.1965  0.0390 -4.1886 3  453.6595664  595161404412417 2    402516 2      C-13-H3C(O)CH3
  574076.8681  0.1465 -6.1922 3 1530.3391684  595161404851768 3    851769 3      C-13-H3C(O)CH3
  574076.8681  0.1465 -6.1922 3 1530.3391684  595161404851868 3    851669 3      C-13-H3C(O)CH3
  574077.0202  0.1465 -6.1925 3 1530.3391684  595161404851868 4    851669 4      C-13-H3C(O)CH3
  574077.0202  0.1465 -6.1925 3 1530.3391684  595161404851768 4    851769 4      C-13-H3C(O)CH3
  574086.5175  0.0499 -5.8526 3  980.6945936  595161404584415 0    574512 0      C-13-H3C(O)CH3
  574086.5183  0.0499 -5.8526 3  980.6945936  595161404584414 0    574513 0      C-13-H3C(O)CH3
  574087.4925  0.0036 -3.7978 3  551.6898436 -59516140454 648 4    53 647 4      C-13-H3C(O)CH3
  574087.4925  0.0036 -5.0619 3  551.6898436 -59516140454 648 4    53 747 4      C-13-H3C(O)CH3
  574087.4925  0.0036 -5.8711 3  551.6898436 -59516140454 748 3    53 647 3      C-13-H3C(O)CH3
  574087.4925  0.0036 -5.8711 3  551.6898436 -59516140454 648 3    53 747 3      C-13-H3C(O)CH3
  574087.4925  0.0036 -5.0619 3  551.6898436 -59516140454 748 4    53 647 4      C-13-H3C(O)CH3
  574087.4925  0.0036 -3.7978 3  551.6898436 -59516140454 748 4    53 747 4      C-13-H3C(O)CH3
  574087.5038  0.0036 -3.7783 3  551.6898436  59516140454 648 3    53 647 3      C-13-H3C(O)CH3
  574087.5038  0.0036 -3.7783 3  551.6898436  59516140454 748 3    53 747 3      C-13-H3C(O)CH3
  574111.0313  0.0053 -3.5379 3  551.7132872 -59516140454 748 1    53 747 1      C-13-H3C(O)CH3
  574111.0313  0.0053 -4.3360 3  551.7132872 -59516140454 748 1    53 647 1      C-13-H3C(O)CH3
  574111.0313  0.0053 -3.5379 3  551.7132872 -59516140454 648 1    53 647 1      C-13-H3C(O)CH3
  574111.0313  0.0051 -3.4824 3  551.7128872 -59516140454 748 2    53 647 2      C-13-H3C(O)CH3
  574111.0313  0.0053 -4.3360 3  551.7132872 -59516140454 648 1    53 747 1      C-13-H3C(O)CH3
  574111.0313  0.0051 -5.1812 3  551.7128872 -59516140454 748 2    53 747 2      C-13-H3C(O)CH3
  574111.0313  0.0051 -3.4824 3  551.7128872 -59516140454 648 2    53 747 2      C-13-H3C(O)CH3
  574111.0313  0.0051 -5.1812 3  551.7128872 -59516140454 648 2    53 647 2      C-13-H3C(O)CH3
  574134.3169  0.0034 -3.4967 3  551.7361872 -59516140454 648 0    53 647 0      C-13-H3C(O)CH3
  574134.3169  0.0034 -3.4967 3  551.7361872 -59516140454 748 0    53 747 0      C-13-H3C(O)CH3
  574134.3169  0.0034 -4.7626 3  551.7361872 -59516140454 648 0    53 747 0      C-13-H3C(O)CH3
  574134.3169  0.0034 -4.7626 3  551.7361872 -59516140454 748 0    53 647 0      C-13-H3C(O)CH3
  574147.8798  0.0479 -6.4002 3  636.3757776  595161404483117 0    482622 0      C-13-H3C(O)CH3
  574208.6409  0.0578 -5.8527 3  980.7145936  595161404584415 1    574513 1      C-13-H3C(O)CH3
  574250.7504  0.0052 -4.3325 3  187.1219220  595161404271612 4    261313 4      C-13-H3C(O)CH3
  574256.9106  0.0037 -4.0354 3  497.2156744  595161404461631 0    451630 0      C-13-H3C(O)CH3
  574256.9106  0.0037 -4.0319 3  497.2156744  595161404461531 0    451530 0      C-13-H3C(O)CH3
  574256.9106  0.0037 -3.7763 3  497.2156744  595161404461531 0    451630 0      C-13-H3C(O)CH3
  574256.9106  0.0037 -3.7782 3  497.2156744  595161404461631 0    451530 0      C-13-H3C(O)CH3
  574257.7147  0.0047 -4.3325 3  187.1218220  595161404271612 3    261313 3      C-13-H3C(O)CH3
  574267.7327  0.0053 -3.7486 3  497.1884744  595161404461631 1    451630 1      C-13-H3C(O)CH3
  574267.7327  0.0053 -4.0905 3  497.1884744  595161404461631 1    451530 1      C-13-H3C(O)CH3
  574267.7327  0.0053 -3.7486 3  497.1884744  595161404461531 1    451530 1      C-13-H3C(O)CH3
  574267.7327  0.0053 -4.0905 3  497.1884744  595161404461531 1    451630 1      C-13-H3C(O)CH3
  574270.7395  0.0054 -4.2445 3  497.1873744  595161404461531 2    451630 2      C-13-H3C(O)CH3
  574270.7395  0.0054 -4.2706 3  497.1873744  595161404461631 2    451530 2      C-13-H3C(O)CH3
  574270.7395  0.0054 -3.6862 3  497.1873744  595161404461531 2    451530 2      C-13-H3C(O)CH3
  574270.7395  0.0054 -3.6933 3  497.1873744  595161404461631 2    451630 2      C-13-H3C(O)CH3
  574280.7398  0.0546 -5.8527 3  980.7258936  595161404584414 1    574512 1      C-13-H3C(O)CH3
  574281.5631  0.0053 -4.1698 3  497.1600372  595161404461631 4    451630 4      C-13-H3C(O)CH3
  574281.5631  0.0053 -4.1698 3  497.1600372  595161404461531 4    451530 4      C-13-H3C(O)CH3
  574281.5631  0.0053 -4.2064 3  497.1600372  595161404461631 4    451530 4      C-13-H3C(O)CH3
  574281.5631  0.0053 -4.2064 3  497.1600372  595161404461531 4    451630 4      C-13-H3C(O)CH3
  574281.5876  0.0053 -4.0226 3  497.1601372  595161404461631 3    451630 3      C-13-H3C(O)CH3
  574281.5876  0.0053 -4.4122 3  497.1601372  595161404461631 3    451530 3      C-13-H3C(O)CH3
  574281.5876  0.0053 -4.4574 3  497.1601372  595161404461531 3    451630 3      C-13-H3C(O)CH3
  574281.5876  0.0053 -4.0404 3  497.1601372  595161404461531 3    451530 3      C-13-H3C(O)CH3
  574285.5866  0.1290 -6.3451 3  860.6756888  595161404553917 0    553620 0      C-13-H3C(O)CH3
  574297.9555  0.0608 -5.8526 3  980.7364936  595161404584414 2    574512 2      C-13-H3C(O)CH3
  574302.8919  0.0166 -6.0760 3   77.1093360  59516140422 320 2    21 021 2      C-13-H3C(O)CH3
  574302.8919  0.0166 -5.9283 3   77.1093360  59516140422 320 2    21 121 2      C-13-H3C(O)CH3
  574302.8919  0.0166 -5.6949 3   77.1093360  59516140422 220 2    21 021 2      C-13-H3C(O)CH3
  574304.0252  0.0168 -5.7473 3   77.1098360  59516140422 320 1    21 021 1      C-13-H3C(O)CH3
  574304.0252  0.0168 -5.7018 3   77.1098360  59516140422 220 1    21 121 1      C-13-H3C(O)CH3
  574334.3001  0.0064 -3.4177 3  264.3488236  5951614042928 2 4    2827 1 4      C-13-H3C(O)CH3
  574369.0901  0.0563 -5.8528 3  980.7134936  595161404584415 2    574513 2      C-13-H3C(O)CH3
  574373.5264  0.0047 -4.0317 3  187.1258440  595161404271612 2    261313 2      C-13-H3C(O)CH3
  574374.6638  0.0047 -4.0314 3  187.1308440  595161404271612 1    261313 1      C-13-H3C(O)CH3
  574420.4748  0.0775 -6.1538 3  980.7565468  595161404584414 3    574512 3      C-13-H3C(O)CH3
  574420.5024  0.0051 -3.1166 3  264.4201472 -5951614042928 1 2    2827 1 2      C-13-H3C(O)CH3
  574435.4583  0.0227 -4.1861 3  453.6617664  595161404412417 1    402516 1      C-13-H3C(O)CH3
  574463.2110  0.0053 -3.1165 3  264.4036472 -5951614042928 2 1    2827 2 1      C-13-H3C(O)CH3
  574492.5992  0.0050 -4.0316 3  187.1348440  595161404271612 0    261313 0      C-13-H3C(O)CH3
  574492.6657  0.0786 -6.1537 3  980.7677468  595161404584414 4    574512 4      C-13-H3C(O)CH3
  574492.9885  0.0761 -6.1540 3  980.7335468  595161404584415 4    574513 4      C-13-H3C(O)CH3
  574502.4965  0.1991 -5.8074 3 1479.3478D52  595161404841668 0    841569 0      C-13-H3C(O)CH3
  574502.4965  0.1991 -5.8074 3 1479.3478D52  595161404841768 0    841669 0      C-13-H3C(O)CH3
  574545.9770  0.1040 -6.2264 3  881.1088920  595161404573325 2    573028 2      C-13-H3C(O)CH3
  574550.1778  0.0049 -3.1165 3  264.4750472  5951614042928 2 0    2827 2 0      C-13-H3C(O)CH3
  574550.1778  0.0049 -3.1165 3  264.4750472  5951614042928 1 0    2827 1 0      C-13-H3C(O)CH3
  574555.9532  0.0911 -6.2263 3  881.1083920  595161404573325 1    573028 1      C-13-H3C(O)CH3
  574564.2679  0.0728 -6.1539 3  980.7448468  595161404584415 3    574513 3      C-13-H3C(O)CH3
  574571.3171  0.0239 -4.1855 3  453.6797664  595161404412417 0    402516 0      C-13-H3C(O)CH3
  574571.9367  0.0063 -3.4173 3  264.3354236  5951614042928 2 3    2827 2 3      C-13-H3C(O)CH3
  574584.7231  0.2441 -6.1402 3 1479.3617D52  595161404841668 1    841669 1      C-13-H3C(O)CH3
  574584.7231  0.2441 -6.0729 3 1479.3617D52  595161404841668 1    841569 1      C-13-H3C(O)CH3
  574584.7231  0.2441 -6.1402 3 1479.3617D52  595161404841768 1    841569 1      C-13-H3C(O)CH3
  574584.7231  0.2441 -6.0729 3 1479.3617D52  595161404841768 1    841669 1      C-13-H3C(O)CH3
  574591.7510  0.2424 -6.2250 3 1479.3619D52  595161404841668 2    841569 2      C-13-H3C(O)CH3
  574591.7510  0.2424 -6.0115 3 1479.3619D52  595161404841668 2    841669 2      C-13-H3C(O)CH3
  574591.7510  0.2424 -6.2250 3 1479.3619D52  595161404841768 2    841669 2      C-13-H3C(O)CH3
  574591.7510  0.2424 -6.0115 3 1479.3619D52  595161404841768 2    841569 2      C-13-H3C(O)CH3
  574598.1407  0.0876 -6.2267 3  881.1031920  595161404573325 0    573028 0      C-13-H3C(O)CH3
  574602.7509  0.1365 -5.9957 3  762.0294A96  59516140468 267 0    68 168 0      C-13-H3C(O)CH3
  574602.7509  0.1365 -5.9957 3  762.0294A96  59516140468 167 0    68 068 0      C-13-H3C(O)CH3
  574602.7509  0.1365 -5.6436 3  762.0294A96  59516140468 267 0    68 068 0      C-13-H3C(O)CH3
  574602.7509  0.1365 -5.6436 3  762.0294A96  59516140468 167 0    68 168 0      C-13-H3C(O)CH3
  574610.3528  0.0062 -3.4172 3  264.3567236  5951614042928 1 3    2827 1 3      C-13-H3C(O)CH3
  574649.0400  0.0488 -6.4069 3  636.3628776  595161404483117 1    482622 1      C-13-H3C(O)CH3
  574658.5974  0.0049 -3.1162 3  264.4066472 -5951614042928 2 2    2827 2 2      C-13-H3C(O)CH3
  574674.1172  0.1392 -6.1397 3 1479.3758676  595161404841668 3    841669 3      C-13-H3C(O)CH3
  574674.1172  0.1392 -6.1397 3 1479.3758676  595161404841768 3    841569 3      C-13-H3C(O)CH3
  574674.3002  0.1392 -6.3432 3 1479.3758676  595161404841668 4    841669 4      C-13-H3C(O)CH3
  574674.3002  0.1392 -6.3432 3 1479.3758676  595161404841768 4    841569 4      C-13-H3C(O)CH3
  574738.4891  0.0141 -6.0506 3  112.2570164  5951614042018 3 3    1915 4 3      C-13-H3C(O)CH3
  574739.6781  0.0051 -3.1161 3  264.4115472 -5951614042928 1 1    2827 1 1      C-13-H3C(O)CH3
  574748.1438  0.1349 -6.4182 3  860.6981888  595161404553917 2    553620 2      C-13-H3C(O)CH3
  574847.6151  0.0066 -3.4168 3  264.3433236  5951614042928 1 4    2827 2 4      C-13-H3C(O)CH3
  574874.5684  0.0165 -6.0534 3  112.3193164  5951614042018 2 4    1915 4 4      C-13-H3C(O)CH3
  574885.2697  0.0146 -6.0441 3  112.1862164  5951614042018 3 4    1915 5 4      C-13-H3C(O)CH3
  574905.3016  0.0597 -6.4142 3  636.3593776  595161404483117 2    482622 2      C-13-H3C(O)CH3
  574936.3650  0.0162 -5.7235 3   77.0387360  59516140422 220 0    21 021 0      C-13-H3C(O)CH3
  574936.3650  0.0162 -5.7235 3   77.0387360  59516140422 320 0    21 121 0      C-13-H3C(O)CH3
  575000.9112  0.0042 -3.7640 3  421.9916648 -595161404402219 0    392118 0      C-13-H3C(O)CH3
  575006.3361  0.0048 -3.7640 3  421.9688648  595161404402219 1    392118 1      C-13-H3C(O)CH3
  575017.7900  0.0147 -6.0516 3  112.2484164  5951614042018 2 3    1915 5 3      C-13-H3C(O)CH3
  575036.9993  0.1829 -6.0585 3 1428.9676D36  595161404831668 0    831469 0      C-13-H3C(O)CH3
  575036.9993  0.1829 -5.9960 3 1428.9676D36  595161404831668 0    831569 0      C-13-H3C(O)CH3
  575036.9993  0.1829 -6.0585 3 1428.9676D36  595161404831568 0    831569 0      C-13-H3C(O)CH3
  575036.9993  0.1829 -5.9960 3 1428.9676D36  595161404831568 0    831469 0      C-13-H3C(O)CH3
  575065.6680  0.0046 -3.7642 3  421.9621648  595161404402219 2    392118 2      C-13-H3C(O)CH3
  575069.4803  0.0045 -4.0651 3  421.9392324  595161404402219 4    392118 4      C-13-H3C(O)CH3
  575071.6407  0.0050 -4.0651 3  421.9392324  595161404402219 3    392118 3      C-13-H3C(O)CH3
  575137.4359  0.0386 -6.4298 3  608.0869760  595161404473017 0    472522 0      C-13-H3C(O)CH3
  575143.4076  0.2249 -5.7837 3 1428.9769D36  595161404831668 1    831469 1      C-13-H3C(O)CH3
  575143.4076  0.2249 -5.7837 3 1428.9769D36  595161404831568 1    831569 1      C-13-H3C(O)CH3
  575148.6355  0.2245 -6.2529 3 1428.9770D36  595161404831668 2    831569 2      C-13-H3C(O)CH3
  575148.6355  0.2245 -6.2529 3 1428.9770D36  595161404831568 2    831469 2      C-13-H3C(O)CH3
  575148.6355  0.2245 -5.8777 3 1428.9770D36  595161404831568 2    831569 2      C-13-H3C(O)CH3
  575148.6355  0.2245 -5.8777 3 1428.9770D36  595161404831668 2    831469 2      C-13-H3C(O)CH3
  575183.4380  0.0037 -3.8938 3  507.6156760  595161404471433 0    461432 0      C-13-H3C(O)CH3
  575183.4380  0.0037 -3.8541 3  507.6156760  595161404471433 0    461532 0      C-13-H3C(O)CH3
  575183.4380  0.0037 -3.6470 3  507.6156760  595161404471533 0    461432 0      C-13-H3C(O)CH3
  575183.4380  0.0037 -4.3749 3  507.6156760  595161404471533 0    461532 0      C-13-H3C(O)CH3
  575192.2211  0.0056 -3.6468 3  507.5876760  595161404471433 1    461432 1      C-13-H3C(O)CH3
  575192.2211  0.0056 -3.6468 3  507.5876760  595161404471533 1    461532 1      C-13-H3C(O)CH3
  575192.2211  0.0056 -4.3756 3  507.5876760  595161404471533 1    461432 1      C-13-H3C(O)CH3
  575192.2211  0.0056 -4.3756 3  507.5876760  595161404471433 1    461532 1      C-13-H3C(O)CH3
  575194.5616  0.0056 -3.6062 3  507.5867760  595161404471433 2    461432 2      C-13-H3C(O)CH3
  575194.5616  0.0056 -4.6986 3  507.5867760  595161404471533 2    461432 2      C-13-H3C(O)CH3
  575194.5616  0.0056 -3.6062 3  507.5867760  595161404471533 2    461532 2      C-13-H3C(O)CH3
  575194.5616  0.0056 -4.6986 3  507.5867760  595161404471433 2    461532 2      C-13-H3C(O)CH3
  575203.3402  0.0053 -3.9194 3  507.5587380  595161404471533 4    461532 4      C-13-H3C(O)CH3
  575203.3402  0.0053 -4.8711 3  507.5587380  595161404471433 4    461532 4      C-13-H3C(O)CH3
  575203.3402  0.0053 -4.8711 3  507.5587380  595161404471533 4    461432 4      C-13-H3C(O)CH3
  575203.3402  0.0053 -3.9194 3  507.5587380  595161404471433 4    461432 4      C-13-H3C(O)CH3
  575203.3684  0.0053 -4.9892 3  507.5587380  595161404471433 3    461532 3      C-13-H3C(O)CH3
  575203.3684  0.0053 -3.9080 3  507.5587380  595161404471533 3    461532 3      C-13-H3C(O)CH3
  575203.3684  0.0053 -4.9892 3  507.5587380  595161404471533 3    461432 3      C-13-H3C(O)CH3
  575203.3684  0.0053 -3.9080 3  507.5587380  595161404471433 3    461432 3      C-13-H3C(O)CH3
  575204.8737  0.0034 -3.7653 3  557.1194444  59516140455 650 4    54 549 4      C-13-H3C(O)CH3
  575204.8737  0.0034 -6.3443 3  557.1194444  59516140455 550 4    54 549 4      C-13-H3C(O)CH3
  575204.8998  0.0034 -4.2462 3  557.1194444 -59516140455 550 3    54 649 3      C-13-H3C(O)CH3
  575204.8998  0.0034 -3.7653 3  557.1194444 -59516140455 550 4    54 649 4      C-13-H3C(O)CH3
  575204.8998  0.0034 -6.3443 3  557.1194444 -59516140455 650 4    54 649 4      C-13-H3C(O)CH3
  575204.8998  0.0034 -3.9379 3  557.1194444 -59516140455 650 3    54 649 3      C-13-H3C(O)CH3
  575204.9216  0.0034 -4.2462 3  557.1194444  59516140455 650 3    54 549 3      C-13-H3C(O)CH3
  575204.9216  0.0034 -3.9379 3  557.1194444  59516140455 550 3    54 549 3      C-13-H3C(O)CH3
  575231.7424  0.0048 -3.8772 3  557.1377888  59516140455 550 1    54 649 1      C-13-H3C(O)CH3
  575231.7424  0.0048 -3.8772 3  557.1377888  59516140455 650 1    54 549 1      C-13-H3C(O)CH3
  575231.9386  0.0048 -3.6747 3  557.1377888 -59516140455 550 1    54 549 1      C-13-H3C(O)CH3
  575231.9386  0.0048 -3.6747 3  557.1377888 -59516140455 650 1    54 649 1      C-13-H3C(O)CH3
  575231.9386  0.0046 -5.0841 3  557.1373888 -59516140455 550 2    54 549 2      C-13-H3C(O)CH3
  575231.9386  0.0046 -3.4737 3  557.1373888 -59516140455 650 2    54 549 2      C-13-H3C(O)CH3
  575232.0626  0.0046 -5.0841 3  557.1373888  59516140455 650 2    54 649 2      C-13-H3C(O)CH3
  575232.0626  0.0046 -3.4737 3  557.1373888  59516140455 550 2    54 649 2      C-13-H3C(O)CH3
  575255.2007  0.1304 -6.3885 3 1428.9863668  595161404831568 3    831469 3      C-13-H3C(O)CH3
  575255.2007  0.1304 -6.2728 3 1428.9863668  595161404831568 3    831569 3      C-13-H3C(O)CH3
  575255.2007  0.1304 -6.2728 3 1428.9863668  595161404831668 3    831469 3      C-13-H3C(O)CH3
  575255.2007  0.1304 -6.3885 3 1428.9863668  595161404831668 3    831569 3      C-13-H3C(O)CH3
  575255.4120  0.1304 -6.0345 3 1428.9863668  595161404831568 4    831569 4      C-13-H3C(O)CH3
  575255.4120  0.1304 -6.0345 3 1428.9863668  595161404831668 4    831469 4      C-13-H3C(O)CH3
  575258.8455  0.0033 -3.4668 3  557.1556888 -59516140455 650 0    54 549 0      C-13-H3C(O)CH3
  575258.8455  0.0033 -5.4002 3  557.1556888 -59516140455 550 0    54 549 0      C-13-H3C(O)CH3
  575258.8500  0.0033 -3.4683 3  557.1556888  59516140455 550 0    54 649 0      C-13-H3C(O)CH3
  575258.8500  0.0033 -5.5421 3  557.1556888  59516140455 650 0    54 649 0      C-13-H3C(O)CH3
  575460.5951  0.0400 -6.4308 3  608.0727760  595161404473017 1    472522 1      C-13-H3C(O)CH3
  575475.1549  0.0131 -5.7513 3  112.2890328  5951614042018 2 1    1915 4 1      C-13-H3C(O)CH3
  575558.7176  0.1628 -5.6856 3 1379.1639D20  595161404821568 0    821469 0      C-13-H3C(O)CH3
  575558.7176  0.1628 -5.6856 3 1379.1639D20  595161404821468 0    821369 0      C-13-H3C(O)CH3
  575614.3818  0.0133 -5.7472 3  112.2183328  5951614042018 3 1    1915 5 1      C-13-H3C(O)CH3
  575628.6596  0.0131 -5.7488 3  112.2306328  5951614042018 3 2    1915 5 2      C-13-H3C(O)CH3
  575631.2191  0.0130 -3.8520 3  279.6597260  595161404322211 3    312110 3      C-13-H3C(O)CH3
  575650.4621  0.0082 -3.5388 3  279.6798520  595161404322211 1    312110 1      C-13-H3C(O)CH3
  575660.4225  0.0125 -3.8304 3  279.6599260  595161404322211 4    312110 4      C-13-H3C(O)CH3
  575669.9708  0.0088 -5.3476 3  135.0292188  5951614042315 8 3    221211 3      C-13-H3C(O)CH3
  575687.3396  0.1990 -5.7222 3 1379.1678D20  595161404821468 1    821369 1      C-13-H3C(O)CH3
  575687.3396  0.1990 -5.7222 3 1379.1678D20  595161404821568 1    821469 1      C-13-H3C(O)CH3
  575690.7938  0.1996 -5.7533 3 1379.1677D20  595161404821468 2    821369 2      C-13-H3C(O)CH3
  575690.7938  0.1996 -6.3183 3 1379.1677D20  595161404821568 2    821369 2      C-13-H3C(O)CH3
  575690.7938  0.1996 -5.7533 3 1379.1677D20  595161404821568 2    821469 2      C-13-H3C(O)CH3
  575690.7938  0.1996 -6.3183 3 1379.1677D20  595161404821468 2    821469 2      C-13-H3C(O)CH3
  575752.7354  0.1281 -5.6892 3  689.8322404  595161404503219 4    493316 4      C-13-H3C(O)CH3
  575765.7541  0.0123 -5.7538 3  112.2928328  5951614042018 2 2    1915 4 2      C-13-H3C(O)CH3
  575774.0054  0.0084 -5.3536 3  135.0292188  5951614042315 8 4    221211 4      C-13-H3C(O)CH3
  575805.2619  0.0072 -5.0433 3  135.0195376  5951614042315 8 2    221211 2      C-13-H3C(O)CH3
  575819.5845  0.1204 -6.3769 3 1379.1716660  595161404821568 3    821369 3      C-13-H3C(O)CH3
  575819.5845  0.1204 -6.1527 3 1379.1716660  595161404821568 3    821469 3      C-13-H3C(O)CH3
  575819.5845  0.1204 -6.3769 3 1379.1716660  595161404821468 3    821469 3      C-13-H3C(O)CH3
  575819.5845  0.1204 -6.1527 3 1379.1716660  595161404821468 3    821369 3      C-13-H3C(O)CH3
  575819.8183  0.1205 -5.9762 3 1379.1716660  595161404821568 4    821469 4      C-13-H3C(O)CH3
  575819.8183  0.1205 -5.9762 3 1379.1716660  595161404821468 4    821369 4      C-13-H3C(O)CH3
  575833.4249  0.0033 -3.4734 3  279.6818520  595161404322211 2    312110 2      C-13-H3C(O)CH3
  575835.8641  0.0032 -3.4725 3  279.7016520 -595161404322211 0    312110 0      C-13-H3C(O)CH3
  575879.0741  0.0071 -5.0468 3  135.0232376  5951614042315 8 1    221211 1      C-13-H3C(O)CH3
  575962.7554  0.0066 -5.0404 3  135.0136376  5951614042315 8 0    221211 0      C-13-H3C(O)CH3
  576017.4103  0.0043 -3.4970 3  267.5638244  5951614043026 4 4    2925 4 4      C-13-H3C(O)CH3
  576034.9932  0.0094 -6.1764 3  382.2079632  595161404391722 0    391425 0      C-13-H3C(O)CH3
  576035.1463  0.0094 -6.1764 3  382.2079632  595161404391822 0    391525 0      C-13-H3C(O)CH3
  576036.9318  0.0110 -6.1772 3  382.1790632  595161404391722 2    391425 2      C-13-H3C(O)CH3
  576037.0977  0.0110 -6.1772 3  382.1790632  595161404391822 2    391525 2      C-13-H3C(O)CH3
  576064.0643  0.0108 -6.1755 3  382.1807632  595161404391722 1    391425 1      C-13-H3C(O)CH3
  576064.2228  0.0108 -6.1755 3  382.1807632  595161404391822 1    391525 1      C-13-H3C(O)CH3
  576070.2248  0.1398 -5.6919 3 1329.9372D04  595161404811368 0    811369 0      C-13-H3C(O)CH3
  576070.2248  0.1398 -6.2071 3 1329.9372D04  595161404811468 0    811369 0      C-13-H3C(O)CH3
  576070.2248  0.1398 -5.6919 3 1329.9372D04  595161404811468 0    811269 0      C-13-H3C(O)CH3
  576070.2248  0.1398 -6.2071 3 1329.9372D04  595161404811368 0    811269 0      C-13-H3C(O)CH3
  576127.2500  0.0036 -3.1958 3  267.5953488 -5951614043026 4 1    2925 4 1      C-13-H3C(O)CH3
  576139.0692  0.0036 -3.1958 3  267.6136488 -5951614043026 4 2    2925 4 2      C-13-H3C(O)CH3
  576162.7805  0.0037 -3.8519 3  517.4519776  595161404481435 0    471434 0      C-13-H3C(O)CH3
  576162.7805  0.0037 -3.8519 3  517.4519776  595161404481335 0    471334 0      C-13-H3C(O)CH3
  576162.7805  0.0037 -3.8715 3  517.4519776  595161404481335 0    471434 0      C-13-H3C(O)CH3
  576162.7805  0.0037 -3.8715 3  517.4519776  595161404481435 0    471334 0      C-13-H3C(O)CH3
  576168.9287  0.0058 -4.8693 3  517.4233776 -595161404481335 1    471434 1      C-13-H3C(O)CH3
  576168.9287  0.0058 -3.5824 3  517.4233776 -595161404481435 1    471434 1      C-13-H3C(O)CH3
  576168.9287  0.0058 -4.8693 3  517.4233776 -595161404481435 1    471334 1      C-13-H3C(O)CH3
  576168.9287  0.0058 -3.5824 3  517.4233776 -595161404481335 1    471334 1      C-13-H3C(O)CH3
  576170.8849  0.0059 -3.7952 3  517.4225776 -595161404481335 2    471434 2      C-13-H3C(O)CH3
  576170.8849  0.0059 -3.9398 3  517.4225776 -595161404481435 2    471434 2      C-13-H3C(O)CH3
  576170.8849  0.0059 -3.7952 3  517.4225776 -595161404481435 2    471334 2      C-13-H3C(O)CH3
  576170.8849  0.0059 -3.9398 3  517.4225776 -595161404481335 2    471334 2      C-13-H3C(O)CH3
  576173.5762  0.0584 -6.1124 3  725.1654840  595161404522824 2    522527 2      C-13-H3C(O)CH3
  576176.8304  0.0603 -6.4128 3  725.1600420  595161404522824 3    522527 3      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.6844 3  517.3938388 -595161404481435 3    471434 3      C-13-H3C(O)CH3
  576176.9774  0.0052 -3.9322 3  517.3938388 -595161404481435 3    471334 3      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.6844 3  517.3938388 -595161404481335 3    471334 3      C-13-H3C(O)CH3
  576176.9774  0.0052 -3.9322 3  517.3938388 -595161404481335 3    471434 3      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.3240 3  517.3938388 -595161404481435 4    471334 4      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.3240 3  517.3938388 -595161404481335 4    471434 4      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.0450 3  517.3938388 -595161404481335 4    471334 4      C-13-H3C(O)CH3
  576176.9774  0.0052 -4.0450 3  517.3938388 -595161404481435 4    471434 4      C-13-H3C(O)CH3
  576177.5725  0.0607 -6.4128 3  725.1600420  595161404522824 4    522527 4      C-13-H3C(O)CH3
  576195.1690  0.0042 -3.4968 3  267.5445244  5951614043026 5 3    2925 5 3      C-13-H3C(O)CH3
  576195.4358  0.0373 -6.1127 3  725.1715840  595161404522824 0    522527 0      C-13-H3C(O)CH3
  576199.5405  0.0394 -6.1119 3  725.1661840  595161404522824 1    522527 1      C-13-H3C(O)CH3
  576217.3663  0.1680 -5.6193 3 1329.9351D04  595161404811368 1    811369 1      C-13-H3C(O)CH3
  576217.3663  0.1680 -5.6193 3 1329.9351D04  595161404811468 1    811269 1      C-13-H3C(O)CH3
  576219.2100  0.1692 -5.5929 3 1329.9349D04  595161404811468 2    811269 2      C-13-H3C(O)CH3
  576219.2100  0.1692 -5.5929 3 1329.9349D04  595161404811368 2    811369 2      C-13-H3C(O)CH3
  576249.2957  0.0033 -3.1955 3  267.6449488 -5951614043026 5 0    2925 4 0      C-13-H3C(O)CH3
  576249.2957  0.0033 -3.1955 3  267.6449488 -5951614043026 4 0    2925 5 0      C-13-H3C(O)CH3
  576258.4747  0.0042 -3.4966 3  267.5532244  5951614043026 4 3    2925 4 3      C-13-H3C(O)CH3
  576279.5816  0.0836 -6.2837 3 1110.3765984  595161404614913 1    605011 1      C-13-H3C(O)CH3
  576316.3674  0.0034 -3.1955 3  267.5942488 -5951614043026 5 2    2925 5 2      C-13-H3C(O)CH3
  576331.3517  0.0032 -4.0999 3  562.0120452  59516140456 452 4    55 451 4      C-13-H3C(O)CH3
  576331.3517  0.0032 -4.0132 3  562.0120452  59516140456 552 4    55 451 4      C-13-H3C(O)CH3
  576331.3604  0.0032 -4.0999 3  562.0120452 -59516140456 552 4    55 551 4      C-13-H3C(O)CH3
  576331.3604  0.0032 -4.0132 3  562.0120452 -59516140456 452 4    55 551 4      C-13-H3C(O)CH3
  576331.3604  0.0032 -3.7534 3  562.0120452 -59516140456 452 3    55 451 3      C-13-H3C(O)CH3
  576331.3854  0.0032 -3.7534 3  562.0120452  59516140456 552 3    55 551 3      C-13-H3C(O)CH3
  576345.1299  0.0138 -5.7527 3  112.2631328  5951614042018 3 0    1915 4 0      C-13-H3C(O)CH3
  576360.5604  0.0045 -4.5626 3  562.0228904  59516140456 552 1    55 451 1      C-13-H3C(O)CH3
  576360.5604  0.0045 -3.4874 3  562.0228904  59516140456 452 1    55 451 1      C-13-H3C(O)CH3
  576360.7502  0.0045 -3.4874 3  562.0228904 -59516140456 552 1    55 551 1      C-13-H3C(O)CH3
  576360.7502  0.0043 -5.3385 3  562.0224904 -59516140456 452 2    55 451 2      C-13-H3C(O)CH3
  576360.7502  0.0045 -4.5626 3  562.0228904 -59516140456 452 1    55 551 1      C-13-H3C(O)CH3
  576360.7502  0.0043 -3.4580 3  562.0224904 -59516140456 552 2    55 451 2      C-13-H3C(O)CH3
  576360.7618  0.0043 -3.4580 3  562.0224904  59516140456 452 2    55 551 2      C-13-H3C(O)CH3
  576360.7618  0.0043 -5.3385 3  562.0224904  59516140456 552 2    55 551 2      C-13-H3C(O)CH3
  576363.2457  0.0670 -6.2835 3 1110.3704984  595161404614913 0    605011 0      C-13-H3C(O)CH3
  576363.2457  0.0670 -6.2835 3 1110.3704984  595161404614912 0    605010 0      C-13-H3C(O)CH3
  576366.5248  0.1098 -5.9143 3 1329.9327652  595161404811368 3    811369 3      C-13-H3C(O)CH3
  576366.5248  0.1098 -5.9143 3 1329.9327652  595161404811468 3    811269 3      C-13-H3C(O)CH3
  576366.7709  0.1098 -5.9207 3 1329.9327652  595161404811368 4    811369 4      C-13-H3C(O)CH3
  576366.7709  0.1098 -5.9207 3 1329.9327652  595161404811468 4    811269 4      C-13-H3C(O)CH3
  576367.7915  0.0035 -3.1953 3  267.5845488 -5951614043026 5 1    2925 5 1      C-13-H3C(O)CH3
  576381.4275  0.0138 -5.7526 3  112.2619328  5951614042018 2 0    1915 5 0      C-13-H3C(O)CH3
  576389.8872  0.0033 -3.4813 3  562.0333904 -59516140456 452 0    55 451 0      C-13-H3C(O)CH3
  576389.8872  0.0033 -3.4813 3  562.0333904 -59516140456 552 0    55 551 0      C-13-H3C(O)CH3
  576389.8940  0.0033 -4.6426 3  562.0333904  59516140456 452 0    55 551 0      C-13-H3C(O)CH3
  576389.8940  0.0033 -4.6426 3  562.0333904  59516140456 552 0    55 451 0      C-13-H3C(O)CH3
  576435.3041  0.0046 -3.4963 3  267.5339244  5951614043026 5 4    2925 5 4      C-13-H3C(O)CH3
  576453.8286  0.0884 -6.2840 3 1110.3662984  595161404614913 2    605011 2      C-13-H3C(O)CH3
  576456.5103  0.0559 -5.4526 3  860.6411888  595161404553917 2    544015 2      C-13-H3C(O)CH3
  576483.6355  0.0863 -6.2838 3 1110.3966984  595161404614912 1    605010 1      C-13-H3C(O)CH3
  576508.3072  0.0573 -5.7537 3  860.6683444  595161404553917 4    544015 4      C-13-H3C(O)CH3
  576522.6033  0.0588 -5.4527 3  860.6010888  595161404553917 0    544014 0      C-13-H3C(O)CH3
  576524.8971  0.0588 -5.4527 3  860.6010888  595161404553916 0    544015 0      C-13-H3C(O)CH3
  576568.1772  0.0035 -4.6897 3  279.6599260  595161404322210 4    312110 4      C-13-H3C(O)CH3
  576574.5204  0.1153 -5.5153 3 1281.2882C88  595161404801368 0    801269 0      C-13-H3C(O)CH3
  576574.5204  0.1153 -5.5153 3 1281.2882C88  595161404801268 0    801169 0      C-13-H3C(O)CH3
  576574.7700  0.0612 -5.4527 3  860.6281888  595161404553917 1    544015 1      C-13-H3C(O)CH3
  576591.7313  0.0033 -4.3266 3  279.6798520  595161404322210 1    312110 1      C-13-H3C(O)CH3
  576615.3703  0.0054 -4.5601 3  279.6597260  595161404322210 3    312110 3      C-13-H3C(O)CH3
  576644.8815  0.0913 -6.2839 3 1110.3978984  595161404614912 2    605010 2      C-13-H3C(O)CH3
  576647.2276  0.0957 -5.2532 3  689.8016808  595161404503219 2    493316 2      C-13-H3C(O)CH3
  576661.0010  0.0532 -5.7538 3  860.6757444  595161404553917 3    544014 3      C-13-H3C(O)CH3
  576666.8065  0.0037 -6.1643 3  279.6818520  595161404322210 2    312110 2      C-13-H3C(O)CH3
  576728.8084  0.0561 -5.4526 3  860.6355888  595161404553916 1    544014 1      C-13-H3C(O)CH3
  576734.4404  0.1345 -5.6477 3 1281.2796C88  595161404801368 1    801169 1      C-13-H3C(O)CH3
  576734.4404  0.1345 -5.6477 3 1281.2796C88  595161404801268 1    801269 1      C-13-H3C(O)CH3
  576734.4404  0.1345 -6.0641 3 1281.2796C88  595161404801268 1    801169 1      C-13-H3C(O)CH3
  576734.4404  0.1345 -6.0641 3 1281.2796C88  595161404801368 1    801269 1      C-13-H3C(O)CH3
  576734.9616  0.1357 -5.5073 3 1281.2794C88  595161404801268 2    801269 2      C-13-H3C(O)CH3
  576734.9616  0.1357 -5.5073 3 1281.2794C88  595161404801368 2    801169 2      C-13-H3C(O)CH3
  576745.7117  0.0387 -6.4157 3  620.0117744  595161404463610 2    463313 2      C-13-H3C(O)CH3
  576780.2433  0.0518 -5.4527 3  860.6446888  595161404553916 2    544014 2      C-13-H3C(O)CH3
  576798.3526  0.0359 -6.1119 3  725.1715840  595161404522924 0    522627 0      C-13-H3C(O)CH3
  576808.1982  0.0527 -6.1116 3  725.1654840  595161404522924 2    522627 2      C-13-H3C(O)CH3
  576829.4182  0.0391 -6.1112 3  725.1662840  595161404522924 1    522627 1      C-13-H3C(O)CH3
  576831.1586  0.0510 -5.7539 3  860.6718444  595161404553916 3    544015 3      C-13-H3C(O)CH3
  576839.5074  0.0554 -6.4120 3  725.1601420  595161404522924 4    522627 4      C-13-H3C(O)CH3
  576839.9579  0.0549 -6.4120 3  725.1601420  595161404522924 3    522627 3      C-13-H3C(O)CH3
  576895.0504  0.0990 -5.8861 3 1281.2707644  595161404801268 3    801169 3      C-13-H3C(O)CH3
  576895.0504  0.0990 -5.8861 3 1281.2707644  595161404801368 3    801269 3      C-13-H3C(O)CH3
  576895.2925  0.0990 -5.8124 3 1281.2707644  595161404801268 4    801169 4      C-13-H3C(O)CH3
  576895.2925  0.0990 -5.8124 3 1281.2707644  595161404801368 4    801269 4      C-13-H3C(O)CH3
  576986.0266  0.0582 -5.7536 3  860.6792444  595161404553916 4    544014 4      C-13-H3C(O)CH3
  577022.5730  0.0392 -6.4157 3  619.9947744  595161404463610 1    463313 1      C-13-H3C(O)CH3
  577034.3910  0.0619 -5.1989 3  689.7870808  595161404503219 1    493316 1      C-13-H3C(O)CH3
  577045.5435  0.0787 -5.3353 3  689.7987404  595161404503219 3    493316 3      C-13-H3C(O)CH3
  577056.4669  0.0369 -6.4167 3  619.9654744  595161404463611 1    463314 1      C-13-H3C(O)CH3
  577064.4308  0.0356 -6.4179 3  619.9742744  595161404463610 0    463313 0      C-13-H3C(O)CH3
  577069.8002  0.0356 -6.4179 3  619.9740744  595161404463611 0    463314 0      C-13-H3C(O)CH3
  577075.0666  0.0911 -5.4605 3 1233.2173C72  595161404791268 0    791069 0      C-13-H3C(O)CH3
  577075.0666  0.0911 -5.4605 3 1233.2173C72  595161404791168 0    791169 0      C-13-H3C(O)CH3
  577079.0721  0.0041 -3.5832 3  276.2186520  595161404322111 2    312012 2      C-13-H3C(O)CH3
  577084.9468  0.0048 -3.8861 3  276.1986260  595161404322111 4    312012 4      C-13-H3C(O)CH3
  577099.0888  0.0039 -3.5834 3  276.2390520  595161404322111 0    312012 0      C-13-H3C(O)CH3
  577102.3129  0.0049 -3.8878 3  276.1987260  595161404322111 3    312012 3      C-13-H3C(O)CH3
  577113.4484  0.0041 -3.5860 3  276.2192520  595161404322111 1    312012 1      C-13-H3C(O)CH3
  577180.0629  0.0037 -3.5725 3  526.7307792 -595161404491337 0    481336 0      C-13-H3C(O)CH3
  577180.0629  0.0037 -4.8376 3  526.7307792 -595161404491237 0    481336 0      C-13-H3C(O)CH3
  577180.0629  0.0037 -4.8376 3  526.7307792 -595161404491337 0    481236 0      C-13-H3C(O)CH3
  577180.0629  0.0037 -3.5725 3  526.7307792 -595161404491237 0    481236 0      C-13-H3C(O)CH3
  577182.9448  0.0061 -5.0015 3  526.7015792 -595161404491337 1    481236 1      C-13-H3C(O)CH3
  577182.9448  0.0061 -5.0015 3  526.7015792 -595161404491237 1    481336 1      C-13-H3C(O)CH3
  577183.0898  0.0061 -3.5651 3  526.7015792  595161404491337 1    481336 1      C-13-H3C(O)CH3
  577183.0898  0.0061 -3.5651 3  526.7015792  595161404491237 1    481236 1      C-13-H3C(O)CH3
  577184.6432  0.0061 -3.6481 3  526.7009792 -595161404491237 2    481336 2      C-13-H3C(O)CH3
  577184.6432  0.0061 -4.2418 3  526.7009792 -595161404491237 2    481236 2      C-13-H3C(O)CH3
  577184.6432  0.0061 -4.2418 3  526.7009792 -595161404491337 2    481336 2      C-13-H3C(O)CH3
  577184.6432  0.0061 -3.6481 3  526.7009792 -595161404491337 2    481236 2      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.0907 3  526.6716396 -595161404491237 4    481336 4      C-13-H3C(O)CH3
  577187.5568  0.0051 -3.9495 3  526.6716396 -595161404491337 3    481336 3      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.0907 3  526.6716396 -595161404491337 4    481236 4      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.2223 3  526.6716396 -595161404491237 4    481236 4      C-13-H3C(O)CH3
  577187.5568  0.0051 -3.9495 3  526.6716396 -595161404491237 3    481236 3      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.5411 3  526.6716396 -595161404491237 3    481336 3      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.2223 3  526.6716396 -595161404491337 4    481336 4      C-13-H3C(O)CH3
  577187.5568  0.0051 -4.5411 3  526.6716396 -595161404491337 3    481236 3      C-13-H3C(O)CH3
  577224.9759  0.0367 -6.4190 3  619.9774744  595161404463611 2    463314 2      C-13-H3C(O)CH3
  577239.2234  0.1031 -6.4219 3 1233.2019C72  595161404791268 2    791169 2      C-13-H3C(O)CH3
  577239.2234  0.1031 -5.4900 3 1233.2019C72  595161404791268 2    791069 2      C-13-H3C(O)CH3
  577239.2234  0.1031 -5.4900 3 1233.2019C72  595161404791168 2    791169 2      C-13-H3C(O)CH3
  577239.2234  0.1031 -6.4219 3 1233.2019C72  595161404791168 2    791069 2      C-13-H3C(O)CH3
  577239.6341  0.1024 -5.4729 3 1233.2021C72  595161404791168 1    791069 1      C-13-H3C(O)CH3
  577239.6341  0.1024 -5.4729 3 1233.2021C72  595161404791268 1    791169 1      C-13-H3C(O)CH3
  577277.1045  0.0042 -3.6028 3  272.5393252  5951614043124 7 4    3023 7 4      C-13-H3C(O)CH3
  577359.6670  0.0036 -3.3016 3  272.5584504 -5951614043124 7 1    3023 7 1      C-13-H3C(O)CH3
  577403.9457  0.0887 -5.7585 3 1233.1866636  595161404791168 3    791169 3      C-13-H3C(O)CH3
  577403.9457  0.0887 -5.7585 3 1233.1866636  595161404791268 3    791069 3      C-13-H3C(O)CH3
  577404.1598  0.0887 -6.2953 3 1233.1866636  595161404791168 4    791169 4      C-13-H3C(O)CH3
  577404.1598  0.0887 -5.8853 3 1233.1866636  595161404791168 4    791069 4      C-13-H3C(O)CH3
  577404.1598  0.0887 -6.2953 3 1233.1866636  595161404791268 4    791069 4      C-13-H3C(O)CH3
  577404.1598  0.0887 -5.8853 3 1233.1866636  595161404791268 4    791169 4      C-13-H3C(O)CH3
  577414.4085  0.0037 -3.3013 3  272.5691504 -5951614043124 7 2    3023 7 2      C-13-H3C(O)CH3
  577414.4736  0.0040 -3.6029 3  272.5258252  5951614043124 7 3    3023 7 3      C-13-H3C(O)CH3
  577466.9288  0.0032 -5.4199 3  566.3692460  59516140457 454 4    56 453 4      C-13-H3C(O)CH3
  577466.9288  0.0032 -3.7514 3  566.3692460  59516140457 354 4    56 453 4      C-13-H3C(O)CH3
  577466.9433  0.0032 -4.3988 3  566.3692460  59516140457 354 3    56 453 3      C-13-H3C(O)CH3
  577466.9433  0.0032 -3.8503 3  566.3692460  59516140457 454 3    56 453 3      C-13-H3C(O)CH3
  577466.9811  0.0032 -3.8503 3  566.3692460 -59516140457 354 3    56 353 3      C-13-H3C(O)CH3
  577466.9811  0.0032 -3.7514 3  566.3692460 -59516140457 454 4    56 353 4      C-13-H3C(O)CH3
  577466.9811  0.0032 -4.3988 3  566.3692460 -59516140457 454 3    56 353 3      C-13-H3C(O)CH3
  577466.9811  0.0032 -5.4199 3  566.3692460 -59516140457 354 4    56 353 4      C-13-H3C(O)CH3
  577467.3658  0.1415 -5.7391 3  847.5727904  595161404563225 0    553322 0      C-13-H3C(O)CH3
  577474.3135  0.0039 -3.6025 3  272.5195252  5951614043124 8 3    3023 8 3      C-13-H3C(O)CH3
  577493.9928  0.0031 -3.3011 3  272.5880504 -5951614043124 8 0    3023 7 0      C-13-H3C(O)CH3
  577496.4121  0.0046 -3.5588 3  566.3693920  59516140457 354 1    56 353 1      C-13-H3C(O)CH3
  577496.4121  0.0046 -4.0657 3  566.3693920  59516140457 454 1    56 353 1      C-13-H3C(O)CH3
  577496.4720  0.0046 -4.0657 3  566.3693920 -59516140457 354 1    56 453 1      C-13-H3C(O)CH3
  577496.4720  0.0045 -3.4490 3  566.3689920 -59516140457 354 2    56 353 2      C-13-H3C(O)CH3
  577496.4720  0.0045 -5.1824 3  566.3689920 -59516140457 454 2    56 353 2      C-13-H3C(O)CH3
  577496.4720  0.0046 -3.5588 3  566.3693920 -59516140457 454 1    56 453 1      C-13-H3C(O)CH3
  577496.4979  0.0045 -5.1824 3  566.3689920  59516140457 354 2    56 453 2      C-13-H3C(O)CH3
  577496.4979  0.0045 -3.4490 3  566.3689920  59516140457 454 2    56 453 2      C-13-H3C(O)CH3
  577498.6273  0.0031 -3.3011 3  272.5878504 -5951614043124 7 0    3023 8 0      C-13-H3C(O)CH3
  577517.0500  0.0053 -4.5582 3  279.5968260  595161404322211 3    312111 3      C-13-H3C(O)CH3
  577525.8872  0.0034 -3.4508 3  566.3691920 -59516140457 354 0    56 353 0      C-13-H3C(O)CH3
  577525.8872  0.0034 -5.0927 3  566.3691920 -59516140457 354 0    56 453 0      C-13-H3C(O)CH3
  577525.8872  0.0034 -5.0927 3  566.3691920 -59516140457 454 0    56 353 0      C-13-H3C(O)CH3
  577525.8872  0.0034 -3.4508 3  566.3691920 -59516140457 454 0    56 453 0      C-13-H3C(O)CH3
  577528.5855  0.0556 -6.0236 3  689.7826404  595161404503219 3    493317 3      C-13-H3C(O)CH3
  577544.6476  0.0037 -4.3261 3  279.6166520  595161404322211 1    312111 1      C-13-H3C(O)CH3
  577550.7383  0.0033 -3.3013 3  272.5556504 -5951614043124 8 2    3023 8 2      C-13-H3C(O)CH3
  577555.6832  0.0031 -3.3012 3  272.5386504 -5951614043124 8 1    3023 8 1      C-13-H3C(O)CH3
  577564.9454  0.0680 -5.5298 3  788.2399428  595161404533618 4    523716 4      C-13-H3C(O)CH3
  577566.9209  0.0037 -4.6907 3  279.5963260  595161404322211 4    312111 4      C-13-H3C(O)CH3
  577575.8196  0.0698 -5.9330 3 1185.7247C56  595161404781168 0    781069 0      C-13-H3C(O)CH3
  577575.8196  0.0698 -5.5256 3 1185.7247C56  595161404781168 0    78 969 0      C-13-H3C(O)CH3
  577575.8196  0.0698 -5.9330 3 1185.7247C56  595161404781068 0    78 969 0      C-13-H3C(O)CH3
  577575.8196  0.0698 -5.5256 3 1185.7247C56  595161404781068 0    781069 0      C-13-H3C(O)CH3
  577611.3744  0.0037 -3.6025 3  272.5061252  5951614043124 8 4    3023 8 4      C-13-H3C(O)CH3
  577613.2920  0.0033 -6.1510 3  279.6224520  595161404322211 2    312111 2      C-13-H3C(O)CH3
  577648.0164  0.0060 -4.5365 3  144.9218204  595161404251015 4    24 916 4      C-13-H3C(O)CH3
  577648.0893  0.0045 -4.5365 3  144.9218204  595161404251015 3    24 916 3      C-13-H3C(O)CH3
  577649.3373  0.0060 -4.5365 3  144.9218204  595161404251115 4    24 816 4      C-13-H3C(O)CH3
  577649.4191  0.0045 -4.5365 3  144.9218204  595161404251115 3    24 816 3      C-13-H3C(O)CH3
  577650.9492  0.0400 -4.9534 3  689.7610808  595161404503219 0    493316 0      C-13-H3C(O)CH3
  577670.4564  0.0644 -5.2295 3  788.2232856  595161404533618 2    523716 2      C-13-H3C(O)CH3
  577733.2707  0.0782 -5.6927 3 1185.7031C56  595161404781168 2    78 969 2      C-13-H3C(O)CH3
  577733.2707  0.0782 -5.6732 3 1185.7031C56  595161404781168 2    781069 2      C-13-H3C(O)CH3
  577733.2707  0.0782 -5.6927 3 1185.7031C56  595161404781068 2    781069 2      C-13-H3C(O)CH3
  577733.2707  0.0782 -5.6732 3 1185.7031C56  595161404781068 2    78 969 2      C-13-H3C(O)CH3
  577734.1531  0.0789 -5.8965 3 1185.7032C56  595161404781068 1    781069 1      C-13-H3C(O)CH3
  577734.1531  0.0789 -5.8965 3 1185.7032C56  595161404781168 1    78 969 1      C-13-H3C(O)CH3
  577734.1531  0.0789 -5.5402 3 1185.7032C56  595161404781168 1    781069 1      C-13-H3C(O)CH3
  577734.1531  0.0789 -5.5402 3 1185.7032C56  595161404781068 1    78 969 1      C-13-H3C(O)CH3
  577767.2452  0.0097 -3.9753 3  219.7807472  595161404291712 2    281613 2      C-13-H3C(O)CH3
  577790.9620  0.0603 -5.5582 3  788.2613428  595161404533618 3    523716 3      C-13-H3C(O)CH3
  577842.2102  0.0633 -5.2303 3  788.2126856  595161404533618 1    523716 1      C-13-H3C(O)CH3
  577877.2859  0.0086 -3.9756 3  219.7964472  595161404291712 0    281613 0      C-13-H3C(O)CH3
  577884.2739  0.0708 -6.3403 3  775.7535840  595161404523814 2    523517 2      C-13-H3C(O)CH3
  577891.7354  0.0794 -5.7302 3 1185.6815628  595161404781068 3    781069 3      C-13-H3C(O)CH3
  577891.7354  0.0794 -5.7302 3 1185.6815628  595161404781168 3    78 969 3      C-13-H3C(O)CH3
  577891.8892  0.0794 -5.7432 3 1185.6815628  595161404781168 4    781069 4      C-13-H3C(O)CH3
  577891.8892  0.0794 -5.7432 3 1185.6815628  595161404781068 4    78 969 4      C-13-H3C(O)CH3
  577895.0050  0.0626 -5.2284 3  788.1960856  595161404533618 0    523715 0      C-13-H3C(O)CH3
  577895.0736  0.0043 -4.2350 3  144.9120408  595161404251015 2    24 916 2      C-13-H3C(O)CH3
  577896.4452  0.0043 -4.2350 3  144.9120408  595161404251115 2    24 816 2      C-13-H3C(O)CH3
  577909.3964  0.0860 -6.3425 3  775.7409840  595161404523814 1    523517 1      C-13-H3C(O)CH3
  577918.5273  0.0043 -4.2351 3  144.9135408  595161404251015 1    24 916 1      C-13-H3C(O)CH3
  577919.8384  0.0043 -4.2351 3  144.9135408  595161404251115 1    24 816 1      C-13-H3C(O)CH3
  577932.7135  0.0838 -6.3367 3  775.7048840  595161404523814 0    523517 0      C-13-H3C(O)CH3
  577951.8479  0.1587 -6.3654 3 1014.5577984  595161404613626 2    613329 2      C-13-H3C(O)CH3
  577961.7901  0.0440 -5.5582 3  788.2638428  595161404533617 3    523715 3      C-13-H3C(O)CH3
  577962.7377  0.1631 -6.3653 3 1014.5561984  595161404613626 1    613329 1      C-13-H3C(O)CH3
  577967.7372  0.0124 -4.2770 3  219.7704236  595161404291712 3    281613 3      C-13-H3C(O)CH3
  577976.6715  0.0134 -4.2770 3  219.7704236  595161404291712 4    281613 4      C-13-H3C(O)CH3
  577997.2129  0.0123 -6.2130 3  102.5320328  5951614042015 6 1    1910 9 1      C-13-H3C(O)CH3
  578007.0967  0.1620 -6.3656 3 1014.5459984  595161404613626 0    613329 0      C-13-H3C(O)CH3
  578015.1558  0.0629 -5.2282 3  788.1959856  595161404533617 0    523716 0      C-13-H3C(O)CH3
  578037.4093  0.0527 -5.6844 3  936.8640920  595161404574216 0    564313 0      C-13-H3C(O)CH3
  578037.4395  0.0527 -5.6844 3  936.8640920  595161404574215 0    564314 0      C-13-H3C(O)CH3
  578059.7805  0.0521 -5.2294 3  788.2472856  595161404533617 2    523715 2      C-13-H3C(O)CH3
  578077.6719  0.0100 -3.9762 3  219.7861472  595161404291712 1    281613 1      C-13-H3C(O)CH3
  578081.2578  0.0549 -5.3892 3 1138.8106C40  595161404771068 0    77 969 0      C-13-H3C(O)CH3
  578081.2578  0.0549 -6.2059 3 1138.8106C40  595161404771068 0    77 869 0      C-13-H3C(O)CH3
  578081.2578  0.0549 -5.3892 3 1138.8106C40  59516140477 968 0    77 869 0      C-13-H3C(O)CH3
  578081.2578  0.0549 -6.2059 3 1138.8106C40  59516140477 968 0    77 969 0      C-13-H3C(O)CH3
  578090.0268  0.0636 -5.2301 3  788.2339856  595161404533617 1    523715 1      C-13-H3C(O)CH3
  578094.6023  0.0487 -5.2551 3  689.7534808  595161404503219 2    493317 2      C-13-H3C(O)CH3
  578144.2612  0.1306 -5.7325 3  847.5524904  595161404563225 1    553322 1      C-13-H3C(O)CH3
  578146.5924  0.0563 -5.6844 3  936.9086920  595161404574215 2    564313 2      C-13-H3C(O)CH3
  578148.3181  0.0151 -5.5151 3  140.1584188  5951614042317 7 4    2214 9 4      C-13-H3C(O)CH3
  578152.0396  0.0427 -5.3179 3  689.7497808  595161404503219 1    493317 1      C-13-H3C(O)CH3
  578164.9884  0.0044 -4.2344 3  144.9038408  595161404251015 0    24 916 0      C-13-H3C(O)CH3
  578166.3434  0.0044 -4.2344 3  144.9038408  595161404251115 0    24 816 0      C-13-H3C(O)CH3
  578189.7826  0.0493 -5.5294 3  788.2852428  595161404533617 4    523715 4      C-13-H3C(O)CH3
  578192.3009  0.0834 -6.3363 3  775.6961840  595161404523815 0    523518 0      C-13-H3C(O)CH3
  578196.5520  0.0545 -5.6844 3  936.8961920  595161404574215 1    564313 1      C-13-H3C(O)CH3
  578218.4804  0.0706 -5.3565 3 1138.7836C40  595161404771068 2    77 969 2      C-13-H3C(O)CH3
  578218.4804  0.0706 -5.3565 3 1138.7836C40  59516140477 968 2    77 869 2      C-13-H3C(O)CH3
  578219.3503  0.0725 -5.3346 3 1138.7837C40  595161404771068 1    77 969 1      C-13-H3C(O)CH3
  578219.3503  0.0725 -5.3346 3 1138.7837C40  59516140477 968 1    77 869 1      C-13-H3C(O)CH3
  578224.9873  0.0064 -3.7138 3  535.4270808  595161404501239 1    491238 1      C-13-H3C(O)CH3
  578224.9873  0.0064 -3.5967 3  535.4270808  595161404501139 1    491138 1      C-13-H3C(O)CH3
  578224.9873  0.0064 -5.8230 3  535.4270808  595161404501239 1    491138 1      C-13-H3C(O)CH3
  578224.9873  0.0064 -4.5302 3  535.4270808  595161404501139 1    491238 1      C-13-H3C(O)CH3
  578225.5263  0.0049 -3.8422 3  535.3967404  595161404501239 4    491138 4      C-13-H3C(O)CH3
  578225.5263  0.0049 -6.1619 3  535.3967404  595161404501139 4    491138 4      C-13-H3C(O)CH3
  578225.5263  0.0049 -6.1619 3  535.3967404  595161404501239 4    491238 4      C-13-H3C(O)CH3
  578225.5263  0.0049 -3.8422 3  535.3967404  595161404501139 4    491238 4      C-13-H3C(O)CH3
  578225.5710  0.0049 -4.7684 3  535.3967404  595161404501139 3    491138 3      C-13-H3C(O)CH3
  578225.5710  0.0049 -3.8946 3  535.3967404  595161404501139 3    491238 3      C-13-H3C(O)CH3
  578225.5710  0.0049 -4.7684 3  535.3967404  595161404501239 3    491238 3      C-13-H3C(O)CH3
  578225.5710  0.0049 -3.8946 3  535.3967404  595161404501239 3    491138 3      C-13-H3C(O)CH3
  578225.6057  0.0037 -4.0127 3  535.4567808  595161404501239 0    491238 0      C-13-H3C(O)CH3
  578225.6057  0.0037 -3.7171 3  535.4567808  595161404501239 0    491138 0      C-13-H3C(O)CH3
  578225.6057  0.0037 -3.7171 3  535.4567808  595161404501139 0    491238 0      C-13-H3C(O)CH3
  578225.6057  0.0037 -4.0127 3  535.4567808  595161404501139 0    491138 0      C-13-H3C(O)CH3
  578225.7118  0.0534 -5.6844 3  936.8905920  595161404574216 1    564314 1      C-13-H3C(O)CH3
  578226.1781  0.0063 -3.6101 3  535.4264808  595161404501139 2    491238 2      C-13-H3C(O)CH3
  578226.1781  0.0063 -3.8650 3  535.4264808  595161404501239 2    491138 2      C-13-H3C(O)CH3
  578226.1781  0.0063 -3.8167 3  535.4264808  595161404501239 2    491238 2      C-13-H3C(O)CH3
  578226.1781  0.0063 -4.3609 3  535.4264808  595161404501139 2    491138 2      C-13-H3C(O)CH3
  578227.5240  0.0132 -6.3747 3  102.5508164  5951614042015 6 3    1910 9 3      C-13-H3C(O)CH3
  578243.6035  0.0561 -5.4525 3  689.7491404  595161404503219 4    493317 4      C-13-H3C(O)CH3
  578258.5229  0.2100 -5.7315 3  847.5485904  595161404563225 2    553322 2      C-13-H3C(O)CH3
  578306.0447  0.0654 -5.9854 3  936.9408460  595161404574215 4    564313 4      C-13-H3C(O)CH3
  578334.7659  0.0670 -5.9854 3  936.9352460  595161404574215 3    564313 3      C-13-H3C(O)CH3
  578342.6024  0.0539 -5.6845 3  936.8942920  595161404574216 2    564314 2      C-13-H3C(O)CH3
  578356.6718  0.0713 -5.6292 3 1138.7567620  59516140477 968 3    77 869 3      C-13-H3C(O)CH3
  578356.6718  0.0713 -5.6292 3 1138.7567620  595161404771068 3    77 969 3      C-13-H3C(O)CH3
  578356.7253  0.0713 -5.6286 3 1138.7567620  59516140477 968 4    77 869 4      C-13-H3C(O)CH3
  578356.7253  0.0713 -5.6286 3 1138.7567620  595161404771068 4    77 969 4      C-13-H3C(O)CH3
  578433.9180  0.0847 -6.3436 3  775.7066840  595161404523815 1    523518 1      C-13-H3C(O)CH3
  578445.3791  0.0031 -3.4696 3  279.6422520 -595161404322210 0    312111 0      C-13-H3C(O)CH3
  578446.5787  0.0034 -3.4705 3  279.6224520 -595161404322210 2    312111 2      C-13-H3C(O)CH3
  578474.6756  0.0108 -3.8272 3  279.5963260  595161404322210 4    312111 4      C-13-H3C(O)CH3
  578485.9168  0.0071 -3.5356 3  279.6166520  595161404322210 1    312111 1      C-13-H3C(O)CH3
  578501.2012  0.0128 -3.8488 3  279.5968260  595161404322210 3    312111 3      C-13-H3C(O)CH3
  578502.1155  0.0653 -5.9855 3  936.9263460  595161404574216 3    564314 3      C-13-H3C(O)CH3
  578517.1295  0.0120 -6.2132 3  102.5260328  5951614042015 6 2    1910 9 2      C-13-H3C(O)CH3
  578532.3734  0.0713 -5.9856 3  936.9207460  595161404574216 4    564314 4      C-13-H3C(O)CH3
  578533.4391  0.0546 -6.1006 3 1062.9809968  595161404604713 0    594812 0      C-13-H3C(O)CH3
  578533.4391  0.0546 -6.1006 3 1062.9809968  595161404604714 0    594811 0      C-13-H3C(O)CH3
  578546.8093  0.0725 -6.1008 3 1062.9914968  595161404604714 1    594812 1      C-13-H3C(O)CH3
  578596.4022  0.0492 -5.3109 3 1092.4750C24  59516140476 868 0    76 769 0      C-13-H3C(O)CH3
  578596.4022  0.0492 -5.3109 3 1092.4750C24  59516140476 968 0    76 869 0      C-13-H3C(O)CH3
  578612.0665  0.0033 -3.7309 3  570.1927468  59516140458 256 3    57 355 3      C-13-H3C(O)CH3
  578612.0665  0.0033 -5.3504 3  570.1927468  59516140458 356 3    57 355 3      C-13-H3C(O)CH3
  578612.0722  0.0033 -6.2585 3  570.1927468  59516140458 356 4    57 255 4      C-13-H3C(O)CH3
  578612.0722  0.0033 -3.7318 3  570.1927468  59516140458 256 4    57 255 4      C-13-H3C(O)CH3
  578612.0947  0.0033 -3.7318 3  570.1927468 -59516140458 356 4    57 355 4      C-13-H3C(O)CH3
  578612.0947  0.0033 -3.7411 3  570.1927468 -59516140458 356 3    57 255 3      C-13-H3C(O)CH3
  578612.0947  0.0033 -6.2585 3  570.1927468 -59516140458 256 4    57 355 4      C-13-H3C(O)CH3
  578638.5640  0.0048 -3.5027 3  570.1773936 -59516140458 256 2    57 355 2      C-13-H3C(O)CH3
  578638.5640  0.0049 -4.3560 3  570.1777936 -59516140458 256 1    57 355 1      C-13-H3C(O)CH3
  578638.5640  0.0048 -3.5027 3  570.1773936 -59516140458 356 2    57 255 2      C-13-H3C(O)CH3
  578638.5640  0.0049 -4.3560 3  570.1777936 -59516140458 356 1    57 255 1      C-13-H3C(O)CH3
  578638.5883  0.0048 -4.2385 3  570.1773936  59516140458 256 2    57 255 2      C-13-H3C(O)CH3
  578638.5883  0.0048 -4.2385 3  570.1773936  59516140458 356 2    57 355 2      C-13-H3C(O)CH3
  578638.5916  0.0049 -3.4842 3  570.1777936  59516140458 356 1    57 355 1      C-13-H3C(O)CH3
  578638.5916  0.0049 -3.4842 3  570.1777936  59516140458 256 1    57 255 1      C-13-H3C(O)CH3
  578665.0482  0.0036 -3.6178 3  570.1623936 -59516140458 356 0    57 355 0      C-13-H3C(O)CH3
  578665.0482  0.0036 -3.8829 3  570.1623936 -59516140458 256 0    57 355 0      C-13-H3C(O)CH3
  578665.0554  0.0036 -3.6178 3  570.1623936  59516140458 256 0    57 255 0      C-13-H3C(O)CH3
  578665.0554  0.0036 -3.8829 3  570.1623936  59516140458 356 0    57 255 0      C-13-H3C(O)CH3
  578675.9884  0.0152 -6.0670 3  555.3695744  595161404462323 0    462026 0      C-13-H3C(O)CH3
  578696.3315  0.0805 -5.2853 3 1092.4442C24  59516140476 968 2    76 869 2      C-13-H3C(O)CH3
  578696.3315  0.0805 -5.2853 3 1092.4442C24  59516140476 868 2    76 769 2      C-13-H3C(O)CH3
  578696.7373  0.0824 -5.4788 3 1092.4443C24  59516140476 968 1    76 769 1      C-13-H3C(O)CH3
  578696.7373  0.0824 -5.7126 3 1092.4443C24  59516140476 968 1    76 869 1      C-13-H3C(O)CH3
  578696.7373  0.0824 -5.4788 3 1092.4443C24  59516140476 868 1    76 869 1      C-13-H3C(O)CH3
  578696.7373  0.0824 -5.7126 3 1092.4443C24  59516140476 868 1    76 769 1      C-13-H3C(O)CH3
  578699.2439  0.0152 -6.0670 3  555.3695744  595161404462423 0    462126 0      C-13-H3C(O)CH3
  578704.5411  0.0466 -6.3573 3  695.5218792  595161404493712 2    493415 2      C-13-H3C(O)CH3
  578710.7298  0.0841 -6.3425 3  775.7105840  595161404523815 2    523518 2      C-13-H3C(O)CH3
  578712.6035  0.0723 -6.1008 3 1063.0101968  595161404604713 1    594811 1      C-13-H3C(O)CH3
  578727.9058  0.0704 -6.1010 3 1062.9849968  595161404604714 2    594812 2      C-13-H3C(O)CH3
  578742.8792  0.0936 -6.4022 3 1062.9953484  595161404604714 4    594812 4      C-13-H3C(O)CH3
  578751.9695  0.0216 -6.0670 3  555.3479744  595161404462323 2    462026 2      C-13-H3C(O)CH3
  578776.8231  0.0214 -6.0670 3  555.3479744  595161404462423 2    462126 2      C-13-H3C(O)CH3
  578779.9912  0.0164 -6.0660 3  555.3494744  595161404462323 1    462026 1      C-13-H3C(O)CH3
  578796.6345  0.0646 -6.0488 3 1092.4133612  59516140476 968 4    76 869 4      C-13-H3C(O)CH3
  578796.6345  0.0646 -6.0488 3 1092.4133612  59516140476 868 4    76 769 4      C-13-H3C(O)CH3
  578796.6345  0.0646 -5.7602 3 1092.4133612  59516140476 868 4    76 869 4      C-13-H3C(O)CH3
  578796.6345  0.0646 -5.7602 3 1092.4133612  59516140476 968 4    76 769 4      C-13-H3C(O)CH3
  578796.7252  0.0645 -5.5880 3 1092.4134612  59516140476 968 3    76 869 3      C-13-H3C(O)CH3
  578796.7252  0.0645 -5.5880 3 1092.4134612  59516140476 868 3    76 769 3      C-13-H3C(O)CH3
  578804.3035  0.0164 -6.0660 3  555.3494744  595161404462423 1    462126 1      C-13-H3C(O)CH3
  578810.8722  0.0113 -4.1580 3  426.1649324  595161404402218 3    392317 3      C-13-H3C(O)CH3
  578811.1010  0.0791 -6.1008 3 1063.0160968  595161404604713 2    594811 2      C-13-H3C(O)CH3
  578817.2535  0.0110 -4.1580 3  426.1647324  595161404402218 4    392317 4      C-13-H3C(O)CH3
  578825.3020  0.0967 -6.4020 3 1063.0265484  595161404604713 3    594811 3      C-13-H3C(O)CH3
  578850.3269  0.0114 -3.8569 3  426.1860648  595161404402218 2    392317 2      C-13-H3C(O)CH3
  578856.1624  0.0225 -6.3670 3  555.3278372  595161404462323 3    462026 3      C-13-H3C(O)CH3
  578856.4228  0.0227 -6.3670 3  555.3278372  595161404462323 4    462026 4      C-13-H3C(O)CH3
  578858.8476  0.0512 -6.3571 3  695.5060792  595161404493712 1    493415 1      C-13-H3C(O)CH3
  578882.1547  0.0223 -6.3670 3  555.3278372  595161404462423 3    462126 3      C-13-H3C(O)CH3
  578882.3350  0.0225 -6.3669 3  555.3278372  595161404462423 4    462126 4      C-13-H3C(O)CH3
  578908.5405  0.0922 -6.4022 3 1063.0140484  595161404604714 3    594812 3      C-13-H3C(O)CH3
  578919.4929  0.1987 -6.0260 3  847.5288452  595161404563225 4    553322 4      C-13-H3C(O)CH3
  578924.7392  0.0076 -3.8560 3  426.1915648  595161404402218 1    392317 1      C-13-H3C(O)CH3
  578941.7904  0.2033 -6.0258 3  847.5281452  595161404563225 3    553322 3      C-13-H3C(O)CH3
  578952.6515  0.0501 -6.3585 3  695.4750792  595161404493712 0    493415 0      C-13-H3C(O)CH3
  578962.1529  0.0080 -3.8559 3  426.2126648  595161404402218 0    392317 0      C-13-H3C(O)CH3
  578991.3505  0.1060 -6.4020 3 1063.0452484  595161404604713 4    594811 4      C-13-H3C(O)CH3
  578993.7740  0.0500 -6.3585 3  695.4736792  595161404493713 0    493416 0      C-13-H3C(O)CH3
  579084.3064  0.0104 -6.2237 3  358.7706616  595161404381622 2    381325 2      C-13-H3C(O)CH3
  579084.3562  0.0104 -6.2237 3  358.7706616  595161404381722 2    381425 2      C-13-H3C(O)CH3
  579110.2602  0.0103 -6.2218 3  358.7722616  595161404381622 1    381325 1      C-13-H3C(O)CH3
  579110.3076  0.0103 -6.2218 3  358.7722616  595161404381722 1    381425 1      C-13-H3C(O)CH3
  579114.1390  0.0089 -6.2227 3  358.7984616  595161404381622 0    381325 0      C-13-H3C(O)CH3
  579114.1848  0.0089 -6.2227 3  358.7984616  595161404381722 0    381425 0      C-13-H3C(O)CH3
  579115.1503  0.0718 -5.2217 3  655.5460396  595161404493020 4    483117 4      C-13-H3C(O)CH3
  579126.8282  0.0509 -5.3064 3 1046.7177C08  59516140475 868 0    75 769 0      C-13-H3C(O)CH3
  579126.8282  0.0509 -5.3064 3 1046.7177C08  59516140475 768 0    75 669 0      C-13-H3C(O)CH3
  579126.8282  0.0509 -6.0828 3 1046.7177C08  59516140475 768 0    75 769 0      C-13-H3C(O)CH3
  579126.8282  0.0509 -6.0828 3 1046.7177C08  59516140475 868 0    75 669 0      C-13-H3C(O)CH3
  579127.2110  0.0528 -6.3582 3  695.4748792  595161404493713 1    493416 1      C-13-H3C(O)CH3
  579167.8923  0.0110 -5.2586 3  140.1574376  5951614042317 7 1    2214 9 1      C-13-H3C(O)CH3
  579167.9956  0.0967 -5.2491 3 1046.6853C08  59516140475 768 1    75 669 1      C-13-H3C(O)CH3
  579167.9956  0.0967 -5.2491 3 1046.6853C08  59516140475 868 1    75 769 1      C-13-H3C(O)CH3
  579168.4020  0.0955 -5.8920 3 1046.6852C08  59516140475 868 2    75 669 2      C-13-H3C(O)CH3
  579168.4020  0.0955 -5.3483 3 1046.6852C08  59516140475 868 2    75 769 2      C-13-H3C(O)CH3
  579168.4020  0.0955 -5.3483 3 1046.6852C08  59516140475 768 2    75 669 2      C-13-H3C(O)CH3
  579168.4020  0.0955 -5.8920 3 1046.6852C08  59516140475 768 2    75 769 2      C-13-H3C(O)CH3
  579209.3033  0.0587 -5.5707 3 1046.6528604  59516140475 868 4    75 769 4      C-13-H3C(O)CH3
  579209.3033  0.0587 -5.5707 3 1046.6528604  59516140475 768 4    75 669 4      C-13-H3C(O)CH3
  579209.5783  0.0587 -5.5462 3 1046.6528604  59516140475 868 3    75 769 3      C-13-H3C(O)CH3
  579209.5783  0.0587 -5.5462 3 1046.6528604  59516140475 768 3    75 669 3      C-13-H3C(O)CH3
  579215.4632  0.2168 -6.3970 3 1828.7790E64  595161404912369 2    912270 2      C-13-H3C(O)CH3
  579284.3913  0.0047 -4.1556 3  543.5729412  595161404511141 4    501040 4      C-13-H3C(O)CH3
  579284.3913  0.0047 -4.1081 3  543.5729412  595161404511141 4    501140 4      C-13-H3C(O)CH3
  579284.3913  0.0047 -4.1081 3  543.5729412  595161404511041 4    501040 4      C-13-H3C(O)CH3
  579284.3913  0.0047 -4.1556 3  543.5729412  595161404511041 4    501140 4      C-13-H3C(O)CH3
  579284.4417  0.0047 -5.3925 3  543.5729412  595161404511041 3    501140 3      C-13-H3C(O)CH3
  579284.4417  0.0047 -3.8422 3  543.5729412  595161404511041 3    501040 3      C-13-H3C(O)CH3
  579284.4417  0.0047 -5.3925 3  543.5729412  595161404511141 3    501040 3      C-13-H3C(O)CH3
  579284.4417  0.0047 -3.8422 3  543.5729412  595161404511141 3    501140 3      C-13-H3C(O)CH3
  579288.0192  0.0066 -4.6381 3  543.6033824 -595161404511041 1    501140 1      C-13-H3C(O)CH3
  579288.0192  0.0066 -3.5644 3  543.6033824 -595161404511041 1    501040 1      C-13-H3C(O)CH3
  579288.0192  0.0066 -4.6381 3  543.6033824 -595161404511141 1    501040 1      C-13-H3C(O)CH3
  579288.0192  0.0066 -3.5644 3  543.6033824 -595161404511141 1    501140 1      C-13-H3C(O)CH3
  579289.0090  0.0065 -3.8977 3  543.6028824 -595161404511141 2    501040 2      C-13-H3C(O)CH3
  579289.0090  0.0065 -3.7719 3  543.6028824 -595161404511041 2    501040 2      C-13-H3C(O)CH3
  579289.0090  0.0065 -3.8977 3  543.6028824 -595161404511041 2    501140 2      C-13-H3C(O)CH3
  579289.0090  0.0065 -3.7719 3  543.6028824 -595161404511141 2    501140 2      C-13-H3C(O)CH3
  579292.7289  0.0038 -3.6422 3  543.6331824 -595161404511141 0    501140 0      C-13-H3C(O)CH3
  579292.7289  0.0038 -3.6422 3  543.6331824 -595161404511041 0    501040 0      C-13-H3C(O)CH3
  579292.7289  0.0038 -4.1695 3  543.6331824 -595161404511041 0    501140 0      C-13-H3C(O)CH3
  579292.7289  0.0038 -4.1695 3  543.6331824 -595161404511141 0    501040 0      C-13-H3C(O)CH3
  579371.5993  0.0500 -6.3601 3  695.4827792  595161404493713 2    493416 2      C-13-H3C(O)CH3
  579380.0159  0.4102 -6.3621 3 1081.3371A16  595161404633627 1    623924 1      C-13-H3C(O)CH3
  579392.9669  0.0126 -3.8102 3  347.2599584  595161404362215 1    352114 1      C-13-H3C(O)CH3
  579395.1383  0.0136 -5.7951 3  140.1607188  5951614042317 7 3    2214 9 3      C-13-H3C(O)CH3
  579531.9088  0.0436 -5.1823 3  655.5334396  595161404493020 3    483117 3      C-13-H3C(O)CH3
  579548.1756  0.0118 -3.8100 3  347.2755584 -595161404362215 0    352114 0      C-13-H3C(O)CH3
  579561.6647  0.0531 -4.8957 3  655.5361792  595161404493020 2    483117 2      C-13-H3C(O)CH3
  579565.6881  0.5292 -6.3606 3 1081.3360A16  595161404633627 2    623924 2      C-13-H3C(O)CH3
  579592.1459  0.0535 -6.2109 3 1001.4764596  59516140474 668 4    74 669 4      C-13-H3C(O)CH3
  579592.1459  0.0535 -6.2109 3 1001.4764596  59516140474 768 4    74 569 4      C-13-H3C(O)CH3
  579592.1459  0.0535 -5.6066 3 1001.4764596  59516140474 768 4    74 669 4      C-13-H3C(O)CH3
  579592.1459  0.0535 -5.6066 3 1001.4764596  59516140474 668 4    74 569 4      C-13-H3C(O)CH3
  579592.6260  0.0535 -5.5606 3 1001.4765596  59516140474 768 3    74 569 3      C-13-H3C(O)CH3
  579592.6260  0.0535 -5.5606 3 1001.4765596  59516140474 668 3    74 669 3      C-13-H3C(O)CH3
  579613.9112  0.0109 -5.2816 3  140.1555376  5951614042317 7 2    2214 9 2      C-13-H3C(O)CH3
  579616.9363  0.0155 -4.1104 3  347.2271292  595161404362215 3    352114 3      C-13-H3C(O)CH3
  579617.5262  0.0157 -4.1104 3  347.2269292  595161404362215 4    352114 4      C-13-H3C(O)CH3
  579634.9850  0.1055 -5.4259 3 1001.5075B92  59516140474 768 1    74 669 1      C-13-H3C(O)CH3
  579634.9850  0.1055 -5.6148 3 1001.5075B92  59516140474 668 1    74 669 1      C-13-H3C(O)CH3
  579634.9850  0.1055 -5.6148 3 1001.5075B92  59516140474 768 1    74 569 1      C-13-H3C(O)CH3
  579634.9850  0.1055 -5.4259 3 1001.5075B92  59516140474 668 1    74 569 1      C-13-H3C(O)CH3
  579636.3654  0.1049 -6.1549 3 1001.5073B92  59516140474 768 2    74 669 2      C-13-H3C(O)CH3
  579636.3654  0.1049 -5.2613 3 1001.5073B92  59516140474 768 2    74 569 2      C-13-H3C(O)CH3
  579636.3654  0.1049 -5.2613 3 1001.5073B92  59516140474 668 2    74 669 2      C-13-H3C(O)CH3
  579636.3654  0.1049 -6.1549 3 1001.5073B92  59516140474 668 2    74 569 2      C-13-H3C(O)CH3
  579678.6664  0.0539 -5.2304 3 1001.5383B92  59516140474 668 0    74 569 0      C-13-H3C(O)CH3
  579678.6664  0.0539 -5.2304 3 1001.5383B92  59516140474 768 0    74 669 0      C-13-H3C(O)CH3
  579681.8634  0.0615 -6.4134 3  665.1795792  595161404493217 0    492722 0      C-13-H3C(O)CH3
  579759.6082  0.0281 -4.8894 3  655.5311792  595161404493020 1    483117 1      C-13-H3C(O)CH3
  579767.6852  0.0041 -3.7798 3  573.4841476  59516140459 158 3    58 157 3      C-13-H3C(O)CH3
  579767.6852  0.0041 -4.5985 3  573.4841476  59516140459 258 3    58 157 3      C-13-H3C(O)CH3
  579767.7003  0.0041 -3.7226 3  573.4841476  59516140459 158 4    58 157 4      C-13-H3C(O)CH3
  579767.7003  0.0041 -5.7371 3  573.4841476  59516140459 258 4    58 157 4      C-13-H3C(O)CH3
  579767.7452  0.0041 -4.5985 3  573.4841476 -59516140459 158 3    58 257 3      C-13-H3C(O)CH3
  579767.7452  0.0041 -3.7226 3  573.4841476 -59516140459 258 4    58 257 4      C-13-H3C(O)CH3
  579767.7452  0.0041 -3.7798 3  573.4841476 -59516140459 258 3    58 257 3      C-13-H3C(O)CH3
  579767.7452  0.0041 -5.7371 3  573.4841476 -59516140459 158 4    58 257 4      C-13-H3C(O)CH3
  579778.1591  0.0139 -3.8092 3  347.2425584  595161404362215 2    352114 2      C-13-H3C(O)CH3
  579786.3324  0.0057 -3.5310 3  573.4482952 -59516140459 158 1    58 157 1      C-13-H3C(O)CH3
  579786.3324  0.0057 -4.0550 3  573.4482952 -59516140459 258 1    58 157 1      C-13-H3C(O)CH3
  579786.3324  0.0053 -3.4758 3  573.4478952 -59516140459 158 2    58 157 2      C-13-H3C(O)CH3
  579786.3324  0.0053 -4.3171 3  573.4478952 -59516140459 258 2    58 157 2      C-13-H3C(O)CH3
  579786.3561  0.0053 -3.4758 3  573.4478952  59516140459 258 2    58 257 2      C-13-H3C(O)CH3
  579786.3561  0.0053 -4.3171 3  573.4478952  59516140459 158 2    58 257 2      C-13-H3C(O)CH3
  579786.3665  0.0057 -3.5310 3  573.4482952  59516140459 258 1    58 257 1      C-13-H3C(O)CH3
  579786.3665  0.0057 -4.0550 3  573.4482952  59516140459 158 1    58 257 1      C-13-H3C(O)CH3
  579786.7251  0.0132 -5.3919 3  140.1607188  5951614042317 6 3    2214 9 3      C-13-H3C(O)CH3
  579804.9305  0.0042 -3.9252 3  573.4120952 -59516140459 258 0    58 157 0      C-13-H3C(O)CH3
  579804.9305  0.0042 -3.5787 3  573.4120952 -59516140459 258 0    58 257 0      C-13-H3C(O)CH3
  579804.9305  0.0042 -3.9252 3  573.4120952 -59516140459 158 0    58 257 0      C-13-H3C(O)CH3
  579804.9305  0.0042 -3.5787 3  573.4120952 -59516140459 158 0    58 157 0      C-13-H3C(O)CH3
  579829.4880  0.0089 -5.9724 3  102.5070328  5951614042015 6 0    1910 9 0      C-13-H3C(O)CH3
  579865.3956  0.2401 -6.3550 3 1774.3652E48  595161404902269 1    902170 1      C-13-H3C(O)CH3
  579865.3956  0.2401 -6.3550 3 1774.3652E48  595161404902169 1    902070 1      C-13-H3C(O)CH3
  579877.6727  0.2323 -6.3112 3 1774.3679E48  595161404902269 2    902170 2      C-13-H3C(O)CH3
  579877.6727  0.2323 -6.3112 3 1774.3679E48  595161404902169 2    902070 2      C-13-H3C(O)CH3
  579942.3203  0.0491 -5.6289 3  956.8858588  59516140473 568 4    73 469 4      C-13-H3C(O)CH3
  579942.3203  0.0491 -6.0669 3  956.8858588  59516140473 668 4    73 469 4      C-13-H3C(O)CH3
  579942.3203  0.0491 -5.6289 3  956.8858588  59516140473 668 4    73 569 4      C-13-H3C(O)CH3
  579942.3203  0.0491 -6.0669 3  956.8858588  59516140473 568 4    73 569 4      C-13-H3C(O)CH3
  579942.9814  0.0490 -5.6279 3  956.8857588  59516140473 568 3    73 569 3      C-13-H3C(O)CH3
  579942.9814  0.0490 -5.6279 3  956.8857588  59516140473 668 3    73 469 3      C-13-H3C(O)CH3
  579942.9814  0.0490 -6.0695 3  956.8857588  59516140473 668 3    73 569 3      C-13-H3C(O)CH3
  579942.9814  0.0490 -6.0695 3  956.8857588  59516140473 568 3    73 469 3      C-13-H3C(O)CH3
  579987.9635  0.0120 -6.3296 3  102.5320328  5951614042015 5 1    1910 9 1      C-13-H3C(O)CH3
  580006.5562  0.0231 -4.8822 3  655.5272792  595161404493020 0    483117 0      C-13-H3C(O)CH3
  580099.7497  0.1033 -5.1959 3  956.9112B76  59516140473 568 1    73 569 1      C-13-H3C(O)CH3
  580099.7497  0.1033 -5.1959 3  956.9112B76  59516140473 668 1    73 469 1      C-13-H3C(O)CH3
  580101.9833  0.1029 -5.1926 3  956.9109B76  59516140473 568 2    73 469 2      C-13-H3C(O)CH3
  580101.9833  0.1029 -5.1926 3  956.9109B76  59516140473 668 2    73 569 2      C-13-H3C(O)CH3
  580191.4581  0.0120 -6.3410 3  102.5260328  5951614042015 5 2    1910 9 2      C-13-H3C(O)CH3
  580256.7568  0.0477 -5.5110 3  912.8823580  59516140472 568 4    72 369 4      C-13-H3C(O)CH3
  580256.7568  0.0477 -5.5110 3  912.8823580  59516140472 468 4    72 469 4      C-13-H3C(O)CH3
  580257.4896  0.0474 -5.8332 3  912.8822580  59516140472 468 3    72 369 3      C-13-H3C(O)CH3
  580257.4896  0.0474 -5.7644 3  912.8822580  59516140472 568 3    72 369 3      C-13-H3C(O)CH3
  580257.4896  0.0474 -5.8332 3  912.8822580  59516140472 568 3    72 469 3      C-13-H3C(O)CH3
  580257.4896  0.0474 -5.7644 3  912.8822580  59516140472 468 3    72 469 3      C-13-H3C(O)CH3
  580258.5892  0.0537 -5.2097 3  956.9363B76  59516140473 568 0    73 469 0      C-13-H3C(O)CH3
  580258.5892  0.0537 -5.2097 3  956.9363B76  59516140473 668 0    73 569 0      C-13-H3C(O)CH3
  580266.7763  0.4521 -6.3568 3 1081.3105A16  595161404633627 0    623924 0      C-13-H3C(O)CH3
  580307.0627  0.1701 -6.4006 3  921.9729920  595161404574017 0    573720 0      C-13-H3C(O)CH3
  580359.7128  0.0044 -5.1931 3  551.2030420 -595161404521043 4    511042 4      C-13-H3C(O)CH3
  580359.7128  0.0044 -3.8419 3  551.2030420 -595161404521043 3    51 942 3      C-13-H3C(O)CH3
  580359.7128  0.0044 -3.8393 3  551.2030420 -59516140452 943 4    511042 4      C-13-H3C(O)CH3
  580359.7128  0.0044 -5.1931 3  551.2030420 -59516140452 943 4    51 942 4      C-13-H3C(O)CH3
  580359.7128  0.0044 -3.8419 3  551.2030420 -59516140452 943 3    511042 3      C-13-H3C(O)CH3
  580359.7128  0.0044 -3.8393 3  551.2030420 -595161404521043 4    51 942 4      C-13-H3C(O)CH3
  580359.7981  0.0044 -5.1386 3  551.2030420  595161404521043 3    511042 3      C-13-H3C(O)CH3
  580359.7981  0.0044 -5.1386 3  551.2030420  59516140452 943 3    51 942 3      C-13-H3C(O)CH3
  580368.0130  0.0067 -3.5279 3  551.2331840  595161404521043 1    511042 1      C-13-H3C(O)CH3
  580368.0130  0.0067 -5.2391 3  551.2331840  595161404521043 1    51 942 1      C-13-H3C(O)CH3
  580368.0130  0.0067 -3.5279 3  551.2331840  59516140452 943 1    51 942 1      C-13-H3C(O)CH3
  580368.0130  0.0067 -5.2391 3  551.2331840  59516140452 943 1    511042 1      C-13-H3C(O)CH3
  580368.8120  0.0066 -5.8490 3  551.2326840  595161404521043 2    51 942 2      C-13-H3C(O)CH3
  580368.8120  0.0066 -3.5215 3  551.2326840  595161404521043 2    511042 2      C-13-H3C(O)CH3
  580368.8120  0.0066 -5.8490 3  551.2326840  59516140452 943 2    511042 2      C-13-H3C(O)CH3
  580368.8120  0.0066 -3.5215 3  551.2326840  59516140452 943 2    51 942 2      C-13-H3C(O)CH3
  580377.0280  0.0038 -5.7859 3  551.2626840 -595161404521043 0    511042 0      C-13-H3C(O)CH3
  580377.0280  0.0038 -3.5219 3  551.2626840 -595161404521043 0    51 942 0      C-13-H3C(O)CH3
  580377.0280  0.0038 -3.5219 3  551.2626840 -59516140452 943 0    511042 0      C-13-H3C(O)CH3
  580377.0280  0.0038 -5.7859 3  551.2626840 -59516140452 943 0    51 942 0      C-13-H3C(O)CH3
  580388.4362  0.0267 -5.1750 3  705.2166824  595161404513022 0    503119 0      C-13-H3C(O)CH3
  580435.7333  0.0081 -3.3930 3  269.9414236  5951614042929 1 4    2828 1 4      C-13-H3C(O)CH3
  580492.5230  0.0063 -3.0921 3  270.0204472 -5951614042929 1 2    2828 0 2      C-13-H3C(O)CH3
  580508.7682  0.2574 -6.2381 3 1720.5244E32  595161404892169 1    891970 1      C-13-H3C(O)CH3
  580508.7682  0.2574 -6.2381 3 1720.5244E32  595161404892069 1    892070 1      C-13-H3C(O)CH3
  580521.1277  0.2496 -6.2080 3 1720.5265E32  595161404892069 2    892070 2      C-13-H3C(O)CH3
  580521.1277  0.2496 -6.2080 3 1720.5265E32  595161404892169 2    891970 2      C-13-H3C(O)CH3
  580523.8885  0.2317 -6.2243 3 1720.5024E32  595161404892069 0    892070 0      C-13-H3C(O)CH3
  580523.8885  0.2317 -6.2243 3 1720.5024E32  595161404892169 0    891970 0      C-13-H3C(O)CH3
  580532.2019  0.0541 -5.5514 3  869.4676572  59516140471 368 4    71 269 4      C-13-H3C(O)CH3
  580532.2019  0.0541 -5.5514 3  869.4676572  59516140471 468 4    71 369 4      C-13-H3C(O)CH3
  580532.7504  0.0537 -5.8553 3  869.4675572  59516140471 468 3    71 269 3      C-13-H3C(O)CH3
  580532.7504  0.0537 -5.8048 3  869.4675572  59516140471 468 3    71 369 3      C-13-H3C(O)CH3
  580532.7504  0.0537 -5.8048 3  869.4675572  59516140471 368 3    71 269 3      C-13-H3C(O)CH3
  580532.7504  0.0537 -5.8553 3  869.4675572  59516140471 368 3    71 369 3      C-13-H3C(O)CH3
  580550.7602  0.0276 -5.1711 3  705.2062824  595161404513022 1    503119 1      C-13-H3C(O)CH3
  580557.6203  0.0066 -3.0919 3  270.0074472 -5951614042929 1 1    2828 1 1      C-13-H3C(O)CH3
  580564.5211  0.0888 -5.4523 3  912.8968B60  59516140472 568 1    72 369 1      C-13-H3C(O)CH3
  580564.5211  0.0888 -5.5445 3  912.8968B60  59516140472 568 1    72 469 1      C-13-H3C(O)CH3
  580564.5211  0.0888 -5.5445 3  912.8968B60  59516140472 468 1    72 369 1      C-13-H3C(O)CH3
  580564.5211  0.0888 -5.4523 3  912.8968B60  59516140472 468 1    72 469 1      C-13-H3C(O)CH3
  580567.0964  0.0875 -5.3863 3  912.8964B60  59516140472 568 2    72 469 2      C-13-H3C(O)CH3
  580567.0964  0.0875 -5.6428 3  912.8964B60  59516140472 568 2    72 369 2      C-13-H3C(O)CH3
  580567.0964  0.0875 -5.3863 3  912.8964B60  59516140472 468 2    72 369 2      C-13-H3C(O)CH3
  580567.0964  0.0875 -5.6428 3  912.8964B60  59516140472 468 2    72 469 2      C-13-H3C(O)CH3
  580614.9753  0.0059 -3.0920 3  270.0865472 -5951614042929 0 0    2828 0 0      C-13-H3C(O)CH3
  580614.9753  0.0059 -3.0920 3  270.0865472 -5951614042929 1 0    2828 1 0      C-13-H3C(O)CH3
  580638.8736  0.0374 -5.1691 3  705.2010824  595161404513022 2    503119 2      C-13-H3C(O)CH3
  580671.7559  0.1767 -6.3473 3  978.5631968  595161404603426 1    603129 1      C-13-H3C(O)CH3
  580695.4891  0.0079 -3.3926 3  269.9360236  5951614042929 1 3    2828 1 3      C-13-H3C(O)CH3
  580703.4010  0.2516 -6.3474 3  978.5644968  595161404603426 2    603129 2      C-13-H3C(O)CH3
  580715.9488  0.0078 -3.3926 3  269.9606236  5951614042929 0 3    2828 0 3      C-13-H3C(O)CH3
  580751.5508  0.0073 -4.9492 3  140.1533376  5951614042317 6 0    2214 9 0      C-13-H3C(O)CH3
  580752.8769  0.0060 -3.0917 3  270.0149472 -5951614042929 0 2    2828 1 2      C-13-H3C(O)CH3
  580756.2477  0.0362 -5.4671 3  705.1920412  595161404513022 4    503119 4      C-13-H3C(O)CH3
  580765.1517  0.0733 -5.6233 3  826.6434564  59516140470 268 3    70 169 3      C-13-H3C(O)CH3
  580765.1517  0.0733 -5.6233 3  826.6434564  59516140470 368 3    70 269 3      C-13-H3C(O)CH3
  580765.2790  0.0738 -5.6185 3  826.6434564  59516140470 268 4    70 269 4      C-13-H3C(O)CH3
  580765.2790  0.0738 -5.6185 3  826.6434564  59516140470 368 4    70 169 4      C-13-H3C(O)CH3
  580809.0607  0.0074 -4.7931 3  120.9547196  59516140424 717 4    23 618 4      C-13-H3C(O)CH3
  580809.0612  0.0074 -4.7931 3  120.9547196  59516140424 817 4    23 518 4      C-13-H3C(O)CH3
  580809.1033  0.0057 -4.7931 3  120.9546196  59516140424 717 3    23 618 3      C-13-H3C(O)CH3
  580809.1039  0.0057 -4.7931 3  120.9546196  59516140424 817 3    23 518 3      C-13-H3C(O)CH3
  580831.8964  0.0418 -5.4655 3  705.1897412  595161404513022 3    503119 3      C-13-H3C(O)CH3
  580838.5409  0.0062 -3.0915 3  270.0266472 -5951614042929 0 1    2828 0 1      C-13-H3C(O)CH3
  580855.3597  0.0113 -5.2370 3  140.1574376  5951614042317 6 1    2214 9 1      C-13-H3C(O)CH3
  580873.7807  0.0494 -5.6346 3  912.9109B60  59516140472 568 0    72 369 0      C-13-H3C(O)CH3
  580873.7807  0.0494 -5.3901 3  912.9109B60  59516140472 468 0    72 369 0      C-13-H3C(O)CH3
  580873.7807  0.0494 -5.6346 3  912.9109B60  59516140472 468 0    72 469 0      C-13-H3C(O)CH3
  580873.7807  0.0494 -5.3901 3  912.9109B60  59516140472 568 0    72 469 0      C-13-H3C(O)CH3
  580935.1961  0.0065 -3.8052 3  576.2455484 -59516140460 060 3    59 059 3      C-13-H3C(O)CH3
  580935.1961  0.0065 -3.7163 3  576.2455484 -59516140460 060 4    59 059 4      C-13-H3C(O)CH3
  580935.1961  0.0065 -5.3310 3  576.2455484 -59516140460 160 4    59 059 4      C-13-H3C(O)CH3
  580935.1961  0.0065 -4.3953 3  576.2455484 -59516140460 160 3    59 059 3      C-13-H3C(O)CH3
  580935.2517  0.0065 -3.7163 3  576.2455484  59516140460 160 4    59 159 4      C-13-H3C(O)CH3
  580935.2517  0.0065 -5.3310 3  576.2455484  59516140460 060 4    59 159 4      C-13-H3C(O)CH3
  580935.2657  0.0065 -4.3953 3  576.2455484  59516140460 060 3    59 159 3      C-13-H3C(O)CH3
  580935.2657  0.0065 -3.8052 3  576.2455484  59516140460 160 3    59 159 3      C-13-H3C(O)CH3
  580938.9728  0.0099 -3.4372 3  576.1806968 -59516140460 160 2    59 159 2      C-13-H3C(O)CH3
  580938.9728  0.0104 -3.9547 3  576.1809968 -59516140460 160 1    59 059 1      C-13-H3C(O)CH3
  580938.9728  0.0104 -3.5485 3  576.1809968 -59516140460 160 1    59 159 1      C-13-H3C(O)CH3
  580938.9728  0.0099 -4.5465 3  576.1806968 -59516140460 060 2    59 159 2      C-13-H3C(O)CH3
  580938.9728  0.0104 -3.9547 3  576.1809968 -59516140460 060 1    59 159 1      C-13-H3C(O)CH3
  580938.9728  0.0099 -3.4372 3  576.1806968 -59516140460 060 2    59 059 2      C-13-H3C(O)CH3
  580938.9728  0.0099 -4.5465 3  576.1806968 -59516140460 160 2    59 059 2      C-13-H3C(O)CH3
  580938.9728  0.0104 -3.5485 3  576.1809968 -59516140460 060 1    59 059 1      C-13-H3C(O)CH3
  580942.6393  0.0075 -4.3075 3  576.1161968  59516140460 060 0    59 159 0      C-13-H3C(O)CH3
  580942.6393  0.0075 -4.3075 3  576.1161968  59516140460 160 0    59 059 0      C-13-H3C(O)CH3
  580942.7498  0.0075 -3.4626 3  576.1161968 -59516140460 060 0    59 059 0      C-13-H3C(O)CH3
  580942.7498  0.0075 -3.4626 3  576.1161968 -59516140460 160 0    59 159 0      C-13-H3C(O)CH3
  580950.9154  0.1087 -5.8386 3  784.4115556  59516140469 268 3    69 069 3      C-13-H3C(O)CH3
  580950.9154  0.1087 -5.8386 3  784.4115556  59516140469 168 3    69 169 3      C-13-H3C(O)CH3
  580952.5728  0.1089 -5.8833 3  784.4115556  59516140469 268 4    69 069 4      C-13-H3C(O)CH3
  580952.5728  0.1089 -5.8833 3  784.4115556  59516140469 168 4    69 169 4      C-13-H3C(O)CH3
  580955.2247  0.0117 -5.2199 3  140.1555376  5951614042317 6 2    2214 9 2      C-13-H3C(O)CH3
  580975.7336  0.0081 -3.3922 3  269.9551236  5951614042929 0 4    2828 0 4      C-13-H3C(O)CH3
  581000.5445  0.1791 -6.3475 3  978.5537968  595161404603426 0    603129 0      C-13-H3C(O)CH3
  581031.7179  0.0744 -5.7929 3  869.4646B44  59516140471 468 1    71 369 1      C-13-H3C(O)CH3
  581031.7179  0.0744 -5.3639 3  869.4646B44  59516140471 468 1    71 269 1      C-13-H3C(O)CH3
  581031.7179  0.0744 -5.3639 3  869.4646B44  59516140471 368 1    71 369 1      C-13-H3C(O)CH3
  581031.7179  0.0744 -5.7929 3  869.4646B44  59516140471 368 1    71 269 1      C-13-H3C(O)CH3
  581033.6128  0.0701 -5.4513 3  869.4642B44  59516140471 468 2    71 369 2      C-13-H3C(O)CH3
  581033.6128  0.0701 -5.4513 3  869.4642B44  59516140471 368 2    71 269 2      C-13-H3C(O)CH3
  581033.6128  0.0701 -5.6196 3  869.4642B44  59516140471 368 2    71 369 2      C-13-H3C(O)CH3
  581033.6128  0.0701 -5.6196 3  869.4642B44  59516140471 468 2    71 269 2      C-13-H3C(O)CH3
  581129.2448  0.2338 -6.1348 3 1667.2325E16  595161404882069 0    881870 0      C-13-H3C(O)CH3
  581129.2448  0.2338 -6.1195 3 1667.2325E16  595161404881969 0    881970 0      C-13-H3C(O)CH3
  581134.5188  0.2705 -6.1508 3 1667.2543E16  595161404882069 1    881870 1      C-13-H3C(O)CH3
  581134.5188  0.2705 -6.1508 3 1667.2543E16  595161404881969 1    881970 1      C-13-H3C(O)CH3
  581146.3542  0.2636 -6.2425 3 1667.2558E16  595161404882069 2    881870 2      C-13-H3C(O)CH3
  581146.3542  0.2636 -6.2425 3 1667.2558E16  595161404881969 2    881970 2      C-13-H3C(O)CH3
  581147.8853  0.0036 -3.6697 3  468.8159696  595161404431924 0    422023 0      C-13-H3C(O)CH3
  581148.3142  0.0036 -3.6697 3  468.8159696  595161404432024 0    421923 0      C-13-H3C(O)CH3
  581162.7947  0.0046 -3.6697 3  468.7917696  595161404431924 1    422023 1      C-13-H3C(O)CH3
  581163.2461  0.0046 -3.6697 3  468.7917696  595161404432024 1    421923 1      C-13-H3C(O)CH3
  581171.9759  0.0049 -3.6697 3  468.7892696  595161404431924 2    422023 2      C-13-H3C(O)CH3
  581172.0999  0.0158 -5.5828 3  140.1584188  5951614042317 6 4    2214 9 4      C-13-H3C(O)CH3
  581172.4444  0.0049 -3.6697 3  468.7892696  595161404432024 2    421923 2      C-13-H3C(O)CH3
  581182.1195  0.0057 -4.4912 3  120.9285392  59516140424 717 2    23 618 2      C-13-H3C(O)CH3
  581182.1201  0.0057 -4.4912 3  120.9285392  59516140424 817 2    23 518 2      C-13-H3C(O)CH3
  581186.8723  0.0051 -3.9707 3  468.7650348  595161404431924 4    422023 4      C-13-H3C(O)CH3
  581186.8996  0.0051 -3.9707 3  468.7650348  595161404431924 3    422023 3      C-13-H3C(O)CH3
  581187.3630  0.0051 -3.9707 3  468.7650348  595161404432024 4    421923 4      C-13-H3C(O)CH3
  581187.3929  0.0051 -3.9707 3  468.7650348  595161404432024 3    421923 3      C-13-H3C(O)CH3
  581194.2799  0.0058 -4.4913 3  120.9293392  59516140424 717 1    23 618 1      C-13-H3C(O)CH3
  581194.2804  0.0058 -4.4913 3  120.9293392  59516140424 817 1    23 518 1      C-13-H3C(O)CH3
  581230.9971  0.1549 -5.9831 3  719.8287412  595161404513319 4    503416 4      C-13-H3C(O)CH3
  581233.6525  0.0035 -3.7025 3  455.3581680  595161404422022 0    412121 0      C-13-H3C(O)CH3
  581243.9381  0.1183 -6.2121 3  847.3739904  595161404563125 2    562828 2      C-13-H3C(O)CH3
  581245.2792  0.0044 -3.7025 3  455.3346680  595161404422022 1    412121 1      C-13-H3C(O)CH3
  581255.0840  0.0035 -3.7025 3  455.3575680  595161404422122 0    412021 0      C-13-H3C(O)CH3
  581255.2145  0.0817 -6.2118 3  847.3737904  595161404563125 1    562828 1      C-13-H3C(O)CH3
  581258.9125  0.0047 -3.7026 3  455.3312680  595161404422022 2    412121 2      C-13-H3C(O)CH3
  581267.3127  0.0044 -3.7025 3  455.3340680  595161404422122 1    412021 1      C-13-H3C(O)CH3
  581270.4807  0.0049 -4.0036 3  455.3076340  595161404422022 4    412121 4      C-13-H3C(O)CH3
  581270.5089  0.0049 -4.0036 3  455.3076340  595161404422022 3    412121 3      C-13-H3C(O)CH3
  581281.6595  0.0046 -3.7025 3  455.3306680  595161404422122 2    412021 2      C-13-H3C(O)CH3
  581293.8027  0.0048 -4.0035 3  455.3070340  595161404422122 4    412021 4      C-13-H3C(O)CH3
  581293.9038  0.0049 -4.0035 3  455.3070340  595161404422122 3    412021 3      C-13-H3C(O)CH3
  581379.9244  0.0805 -6.2123 3  847.3703904  595161404563125 0    562828 0      C-13-H3C(O)CH3
  581392.4801  0.0533 -5.9250 3 1016.9256952  595161404594515 0    584612 0      C-13-H3C(O)CH3
  581392.4804  0.0533 -5.9250 3 1016.9256952  595161404594514 0    584613 0      C-13-H3C(O)CH3
  581448.6040  0.0042 -3.8548 3  558.2894428 -59516140453 845 4    52 944 4      C-13-H3C(O)CH3
  581448.6040  0.0042 -4.8273 3  558.2894428 -59516140453 945 4    52 944 4      C-13-H3C(O)CH3
  581448.6040  0.0042 -3.8548 3  558.2894428 -59516140453 945 4    52 844 4      C-13-H3C(O)CH3
  581448.6040  0.0042 -4.8273 3  558.2894428 -59516140453 845 4    52 844 4      C-13-H3C(O)CH3
  581448.6040  0.0042 -3.9905 3  558.2895428 -59516140453 845 3    52 844 3      C-13-H3C(O)CH3
  581448.6040  0.0042 -4.2809 3  558.2895428 -59516140453 845 3    52 944 3      C-13-H3C(O)CH3
  581448.6040  0.0042 -3.9905 3  558.2895428 -59516140453 945 3    52 944 3      C-13-H3C(O)CH3
  581448.6040  0.0042 -4.2809 3  558.2895428 -59516140453 945 3    52 844 3      C-13-H3C(O)CH3
  581462.0149  0.0066 -3.8762 3  558.3186856 -59516140453 845 1    52 844 1      C-13-H3C(O)CH3
  581462.0149  0.0066 -3.7541 3  558.3186856 -59516140453 845 1    52 944 1      C-13-H3C(O)CH3
  581462.0149  0.0064 -3.5105 3  558.3182856 -59516140453 845 2    52 844 2      C-13-H3C(O)CH3
  581462.0149  0.0064 -6.3505 3  558.3182856 -59516140453 845 2    52 944 2      C-13-H3C(O)CH3
  581462.0149  0.0066 -3.7541 3  558.3186856 -59516140453 945 1    52 844 1      C-13-H3C(O)CH3
  581462.0149  0.0066 -3.8762 3  558.3186856 -59516140453 945 1    52 944 1      C-13-H3C(O)CH3
  581462.0149  0.0064 -6.3505 3  558.3182856 -59516140453 945 2    52 844 2      C-13-H3C(O)CH3
  581462.0149  0.0064 -3.5105 3  558.3182856 -59516140453 945 2    52 944 2      C-13-H3C(O)CH3
  581475.2114  0.0038 -3.5835 3  558.3472856 -59516140453 945 0    52 844 0      C-13-H3C(O)CH3
  581475.2114  0.0038 -4.3172 3  558.3472856 -59516140453 945 0    52 944 0      C-13-H3C(O)CH3
  581475.2114  0.0038 -4.0374 3  558.3472856 -59516140453 845 0    52 844 0      C-13-H3C(O)CH3
  581475.2114  0.0038 -3.6628 3  558.3472856 -59516140453 845 0    52 944 0      C-13-H3C(O)CH3
  581499.9434  0.0639 -5.9251 3 1016.9420952  595161404594515 1    584613 1      C-13-H3C(O)CH3
  581503.4937  0.1004 -5.8105 3  826.6145B28  59516140470 268 2    70 169 2      C-13-H3C(O)CH3
  581503.4937  0.1004 -5.4749 3  826.6145B28  59516140470 268 2    70 269 2      C-13-H3C(O)CH3
  581503.4937  0.1004 -5.8105 3  826.6145B28  59516140470 368 2    70 269 2      C-13-H3C(O)CH3
  581503.4937  0.1004 -5.4749 3  826.6145B28  59516140470 368 2    70 169 2      C-13-H3C(O)CH3
  581503.9422  0.1055 -5.3599 3  826.6149B28  59516140470 268 1    70 169 1      C-13-H3C(O)CH3
  581503.9422  0.1055 -6.2761 3  826.6149B28  59516140470 368 1    70 169 1      C-13-H3C(O)CH3
  581503.9422  0.1055 -5.3599 3  826.6149B28  59516140470 368 1    70 269 1      C-13-H3C(O)CH3
  581503.9422  0.1055 -6.2761 3  826.6149B28  59516140470 268 1    70 269 1      C-13-H3C(O)CH3
  581509.0922  0.0037 -3.6452 3  481.6130712  595161404441826 0    431925 0      C-13-H3C(O)CH3
  581509.0984  0.0037 -3.6452 3  481.6130712  595161404441926 0    431825 0      C-13-H3C(O)CH3
  581525.2094  0.0049 -3.6451 3  481.5882712  595161404441826 1    431925 1      C-13-H3C(O)CH3
  581525.2161  0.0049 -3.6451 3  481.5882712  595161404441926 1    431825 1      C-13-H3C(O)CH3
  581531.6763  0.0051 -3.6452 3  481.5864712  595161404441826 2    431925 2      C-13-H3C(O)CH3
  581531.6833  0.0051 -3.6452 3  481.5864712  595161404441926 2    431825 2      C-13-H3C(O)CH3
  581531.8875  0.0508 -5.5837 3  869.4612B44  59516140471 368 0    71 369 0      C-13-H3C(O)CH3
  581531.8875  0.0508 -5.5837 3  869.4612B44  59516140471 468 0    71 269 0      C-13-H3C(O)CH3
  581531.8875  0.0508 -5.4759 3  869.4612B44  59516140471 468 0    71 369 0      C-13-H3C(O)CH3
  581531.8875  0.0508 -5.4759 3  869.4612B44  59516140471 368 0    71 269 0      C-13-H3C(O)CH3
  581547.8030  0.0053 -3.9462 3  481.5615356  595161404441826 4    431925 4      C-13-H3C(O)CH3
  581547.8106  0.0053 -3.9462 3  481.5615356  595161404441926 4    431825 4      C-13-H3C(O)CH3
  581547.8196  0.0053 -3.9462 3  481.5615356  595161404441826 3    431925 3      C-13-H3C(O)CH3
  581547.8272  0.0053 -3.9462 3  481.5615356  595161404441926 3    431825 3      C-13-H3C(O)CH3
  581566.4955  0.0056 -4.4903 3  120.9032392  59516140424 717 0    23 618 0      C-13-H3C(O)CH3
  581566.4960  0.0056 -4.4903 3  120.9032392  59516140424 817 0    23 518 0      C-13-H3C(O)CH3
  581592.3727  0.0609 -5.9251 3 1016.9576952  595161404594514 1    584612 1      C-13-H3C(O)CH3
  581621.1962  0.0683 -5.9250 3 1016.9672952  595161404594514 2    584612 2      C-13-H3C(O)CH3
  581661.7105  0.0614 -5.9252 3 1016.9398952  595161404594515 2    584613 2      C-13-H3C(O)CH3
  581715.0278  0.2325 -6.1043 3 1614.5353E00  595161404871869 0    871770 0      C-13-H3C(O)CH3
  581715.0278  0.2325 -6.1043 3 1614.5353E00  595161404871969 0    871870 0      C-13-H3C(O)CH3
  581729.1786  0.0863 -6.2262 3 1016.9836476  595161404594514 3    584612 3      C-13-H3C(O)CH3
  581743.1471  0.2768 -6.1060 3 1614.5558E00  595161404871969 1    871870 1      C-13-H3C(O)CH3
  581743.1471  0.2768 -6.1060 3 1614.5558E00  595161404871869 1    871770 1      C-13-H3C(O)CH3
  581753.9358  0.2713 -6.0327 3 1614.5568E00  595161404871969 2    871870 2      C-13-H3C(O)CH3
  581753.9358  0.2713 -6.0327 3 1614.5568E00  595161404871869 2    871770 2      C-13-H3C(O)CH3
  581770.9317  0.0826 -6.2264 3 1016.9562476  595161404594515 4    584613 4      C-13-H3C(O)CH3
  581782.1489  0.1619 -6.3391 3 1614.5773700  595161404871869 3    871870 3      C-13-H3C(O)CH3
  581782.1489  0.1619 -6.3391 3 1614.5773700  595161404871969 3    871770 3      C-13-H3C(O)CH3
  581821.7275  0.0899 -6.2261 3 1016.9993476  595161404594514 4    584612 4      C-13-H3C(O)CH3
  581862.7047  0.0803 -6.2263 3 1016.9719476  595161404594515 3    584613 3      C-13-H3C(O)CH3
  581869.0591  0.0099 -6.2771 3  335.9431600  595161404371522 2    371225 2      C-13-H3C(O)CH3
  581869.0733  0.0099 -6.2771 3  335.9431600  595161404371622 2    371325 2      C-13-H3C(O)CH3
  581893.8287  0.0100 -6.2751 3  335.9445600  595161404371522 1    371225 1      C-13-H3C(O)CH3
  581893.8422  0.0100 -6.2751 3  335.9445600  595161404371622 1    371325 1      C-13-H3C(O)CH3
  581915.6481  0.0102 -3.9248 3  236.9445488  595161404301812 2    291713 2      C-13-H3C(O)CH3
  581931.8616  0.0036 -3.7515 3  441.1716664  595161404412120 0    402219 0      C-13-H3C(O)CH3
  581933.0975  0.0042 -3.7515 3  441.1489664  595161404412120 1    402219 1      C-13-H3C(O)CH3
  581937.1070  0.0086 -6.2760 3  335.9691600  595161404371522 0    371225 0      C-13-H3C(O)CH3
  581937.1201  0.0086 -6.2760 3  335.9691600  595161404371622 0    371325 0      C-13-H3C(O)CH3
  581948.0763  0.0049 -3.7516 3  441.1442664  595161404412120 2    402219 2      C-13-H3C(O)CH3
  581948.9819  0.0049 -4.0527 3  441.1215332  595161404412120 3    402219 3      C-13-H3C(O)CH3
  581949.4570  0.0050 -4.0527 3  441.1215332  595161404412120 4    402219 4      C-13-H3C(O)CH3
  581978.7385  0.1969 -5.5857 3  784.3477B12  59516140469 168 2    69 069 2      C-13-H3C(O)CH3
  581978.7385  0.1969 -6.3713 3  784.3477B12  59516140469 168 2    69 169 2      C-13-H3C(O)CH3
  581978.7385  0.1969 -6.3713 3  784.3477B12  59516140469 268 2    69 069 2      C-13-H3C(O)CH3
  581978.7385  0.1969 -5.5857 3  784.3477B12  59516140469 268 2    69 169 2      C-13-H3C(O)CH3
  581983.9727  0.1991 -5.6439 3  784.3480B12  59516140469 168 1    69 069 1      C-13-H3C(O)CH3
  581983.9727  0.1991 -6.1251 3  784.3480B12  59516140469 268 1    69 069 1      C-13-H3C(O)CH3
  581983.9727  0.1991 -5.6439 3  784.3480B12  59516140469 268 1    69 169 1      C-13-H3C(O)CH3
  581983.9727  0.1991 -6.1251 3  784.3480B12  59516140469 168 1    69 169 1      C-13-H3C(O)CH3
  582024.6085  0.0091 -3.9252 3  236.9628488  595161404301812 0    291713 0      C-13-H3C(O)CH3
  582058.0091  0.0079 -6.2498 3   97.4458164  5951614042013 8 4    19 811 4      C-13-H3C(O)CH3
  582125.6279  0.0038 -3.6258 3  493.7898728  595161404451728 0    441827 0      C-13-H3C(O)CH3
  582125.6279  0.0038 -3.6258 3  493.7898728  595161404451828 0    441727 0      C-13-H3C(O)CH3
  582134.6137  0.0142 -4.2270 3  236.9317244  595161404301812 4    291713 4      C-13-H3C(O)CH3
  582137.7553  0.0123 -4.2270 3  236.9318244  595161404301812 3    291713 3      C-13-H3C(O)CH3
  582141.7283  0.0052 -3.6257 3  493.7644728  595161404451728 1    441827 1      C-13-H3C(O)CH3
  582141.7284  0.0052 -3.6257 3  493.7644728  595161404451828 1    441727 1      C-13-H3C(O)CH3
  582146.4766  0.0053 -3.6257 3  493.7629728  595161404451728 2    441827 2      C-13-H3C(O)CH3
  582146.4766  0.0053 -3.6257 3  493.7629728  595161404451828 2    441727 2      C-13-H3C(O)CH3
  582162.5941  0.0055 -3.9267 3  493.7374364  595161404451728 4    441827 4      C-13-H3C(O)CH3
  582162.5942  0.0055 -3.9267 3  493.7374364  595161404451828 4    441727 4      C-13-H3C(O)CH3
  582162.6073  0.0055 -3.9267 3  493.7374364  595161404451728 3    441827 3      C-13-H3C(O)CH3
  582162.6074  0.0055 -3.9267 3  493.7374364  595161404451828 3    441727 3      C-13-H3C(O)CH3
  582176.8127  0.0047 -3.4657 3  272.6312244  5951614043027 3 4    2926 3 4      C-13-H3C(O)CH3
  582190.9666  0.0088 -5.2928 3   96.3161188  59516140423 419 3    22 220 3      C-13-H3C(O)CH3
  582190.9666  0.0088 -5.2921 3   96.3161188  59516140423 519 3    22 320 3      C-13-H3C(O)CH3
  582191.2671  0.0106 -5.3512 3   96.3161188  59516140423 519 4    22 320 4      C-13-H3C(O)CH3
  582191.2671  0.0106 -5.3514 3   96.3161188  59516140423 419 4    22 220 4      C-13-H3C(O)CH3
  582191.2671  0.0106 -6.0109 3   96.3161188  59516140423 419 4    22 320 4      C-13-H3C(O)CH3
  582191.2671  0.0106 -6.0119 3   96.3161188  59516140423 519 4    22 220 4      C-13-H3C(O)CH3
  582200.5905  0.0062 -6.2470 3   97.4457164  5951614042013 8 3    19 811 3      C-13-H3C(O)CH3
  582207.6135  0.1121 -5.4661 3  719.7942824  595161404513319 2    503416 2      C-13-H3C(O)CH3
  582240.5591  0.0102 -3.9264 3  236.9500488  595161404301812 1    291713 1      C-13-H3C(O)CH3
  582240.9454  0.0795 -5.3104 3  826.5862B28  59516140470 368 0    70 169 0      C-13-H3C(O)CH3
  582240.9454  0.0795 -5.3104 3  826.5862B28  59516140470 268 0    70 269 0      C-13-H3C(O)CH3
  582279.4016  0.0039 -3.1645 3  272.6896488 -5951614043027 3 2    2926 3 2      C-13-H3C(O)CH3
  582282.4440  0.2263 -5.9597 3 1562.4116D84  595161404861769 0    861770 0      C-13-H3C(O)CH3
  582282.4440  0.2263 -5.9597 3 1562.4116D84  595161404861869 0    861670 0      C-13-H3C(O)CH3
  582287.9047  0.0040 -3.1644 3  272.6708488 -5951614043027 4 1    2926 3 1      C-13-H3C(O)CH3
  582335.1939  0.2748 -6.0678 3 1562.4298D84  595161404861769 1    861670 1      C-13-H3C(O)CH3
  582335.1939  0.2748 -6.0678 3 1562.4298D84  595161404861869 1    861770 1      C-13-H3C(O)CH3
  582344.5220  0.2709 -5.9412 3 1562.4304D84  595161404861769 2    861670 2      C-13-H3C(O)CH3
  582344.5220  0.2709 -5.9412 3 1562.4304D84  595161404861869 2    861770 2      C-13-H3C(O)CH3
  582372.0649  0.1642 -6.3980 3  921.9039920  595161404574018 0    573721 0      C-13-H3C(O)CH3
  582372.3518  0.0047 -3.4653 3  272.6146244  5951614043027 4 3    2926 4 3      C-13-H3C(O)CH3
  582391.0681  0.0037 -3.1643 3  272.7291488 -5951614043027 3 0    2926 4 0      C-13-H3C(O)CH3
  582391.0681  0.0037 -3.1643 3  272.7291488 -5951614043027 4 0    2926 3 0      C-13-H3C(O)CH3
  582397.3885  0.1562 -6.3509 3 1562.4486692  595161404861769 3    861770 3      C-13-H3C(O)CH3
  582397.3885  0.1562 -6.3509 3 1562.4486692  595161404861869 3    861670 3      C-13-H3C(O)CH3
  582397.5351  0.1562 -6.2834 3 1562.4486692  595161404861769 4    861670 4      C-13-H3C(O)CH3
  582397.5351  0.1562 -6.2834 3 1562.4486692  595161404861869 4    861770 4      C-13-H3C(O)CH3
  582429.1398  0.0046 -3.4652 3  272.6286244  5951614043027 3 3    2926 3 3      C-13-H3C(O)CH3
  582475.0686  0.0038 -3.1642 3  272.6729488 -5951614043027 4 2    2926 4 2      C-13-H3C(O)CH3
  582519.0279  0.0062 -5.9451 3   97.4238328  5951614042013 8 1    19 811 1      C-13-H3C(O)CH3
  582540.0718  0.0039 -3.1640 3  272.6681488 -5951614043027 3 1    2926 4 1      C-13-H3C(O)CH3
  582548.8802  0.0040 -3.9069 3  564.8343436  59516140454 847 4    53 846 4      C-13-H3C(O)CH3
  582548.8802  0.0040 -3.8035 3  564.8343436  59516140454 747 4    53 746 4      C-13-H3C(O)CH3
  582548.8802  0.0040 -6.0791 3  564.8343436  59516140454 847 4    53 746 4      C-13-H3C(O)CH3
  582548.8802  0.0040 -4.4667 3  564.8343436  59516140454 747 4    53 846 4      C-13-H3C(O)CH3
  582548.9395  0.0040 -3.8436 3  564.8343436  59516140454 747 3    53 846 3      C-13-H3C(O)CH3
  582548.9395  0.0040 -3.8436 3  564.8343436  59516140454 847 3    53 746 3      C-13-H3C(O)CH3
  582548.9395  0.0040 -4.8318 3  564.8343436  59516140454 747 3    53 746 3      C-13-H3C(O)CH3
  582548.9395  0.0040 -4.8318 3  564.8343436  59516140454 847 3    53 846 3      C-13-H3C(O)CH3
  582563.8103  0.0063 -5.9448 3   97.4217328  5951614042013 8 2    19 811 2      C-13-H3C(O)CH3
  582566.9584  0.0061 -4.8143 3  564.8612872 -59516140454 747 2    53 846 2      C-13-H3C(O)CH3
  582566.9584  0.0061 -3.5218 3  564.8612872 -59516140454 747 2    53 746 2      C-13-H3C(O)CH3
  582566.9584  0.0062 -5.1772 3  564.8616872 -59516140454 747 1    53 846 1      C-13-H3C(O)CH3
  582566.9584  0.0061 -4.8143 3  564.8612872 -59516140454 847 2    53 746 2      C-13-H3C(O)CH3
  582566.9584  0.0061 -3.5218 3  564.8612872 -59516140454 847 2    53 846 2      C-13-H3C(O)CH3
  582566.9584  0.0062 -5.1772 3  564.8616872 -59516140454 847 1    53 746 1      C-13-H3C(O)CH3
  582566.9584  0.0062 -3.5094 3  564.8616872 -59516140454 747 1    53 746 1      C-13-H3C(O)CH3
  582566.9584  0.0062 -3.5094 3  564.8616872 -59516140454 847 1    53 846 1      C-13-H3C(O)CH3
  582584.0448  0.0764 -5.3961 3  719.7795824  595161404513319 1    503416 1      C-13-H3C(O)CH3
  582584.7554  0.0037 -3.5078 3  564.8884872 -59516140454 847 0    53 846 0      C-13-H3C(O)CH3
  582584.7554  0.0037 -5.2614 3  564.8884872 -59516140454 847 0    53 746 0      C-13-H3C(O)CH3
  582584.7554  0.0037 -5.2614 3  564.8884872 -59516140454 747 0    53 846 0      C-13-H3C(O)CH3
  582584.7554  0.0037 -3.5078 3  564.8884872 -59516140454 747 0    53 746 0      C-13-H3C(O)CH3
  582623.8534  0.0052 -3.4649 3  272.6120244  5951614043027 4 4    2926 4 4      C-13-H3C(O)CH3
  582652.4494  0.0037 -3.7502 3  441.1530664 -595161404412220 0    402119 0      C-13-H3C(O)CH3
  582653.4481  0.1049 -5.4972 3  660.5162396  595161404493118 4    483216 4      C-13-H3C(O)CH3
  582663.0511  0.0044 -3.7501 3  441.1301664  595161404412220 1    402119 1      C-13-H3C(O)CH3
  582696.8032  0.0043 -3.7503 3  441.1250664  595161404412220 2    402119 2      C-13-H3C(O)CH3
  582699.9126  0.0927 -5.4763 3  719.7958412  595161404513319 3    503416 3      C-13-H3C(O)CH3
  582706.7697  0.0045 -4.0513 3  441.1020332  595161404412220 4    402119 4      C-13-H3C(O)CH3
  582707.6628  0.0046 -4.0513 3  441.1020332  595161404412220 3    402119 3      C-13-H3C(O)CH3
  582714.4169  0.0106 -4.9810 3   96.2660376  59516140423 419 2    22 320 2      C-13-H3C(O)CH3
  582714.4169  0.0106 -6.3482 3   96.2660376  59516140423 519 2    22 320 2      C-13-H3C(O)CH3
  582714.4169  0.0106 -5.3948 3   96.2660376  59516140423 519 2    22 220 2      C-13-H3C(O)CH3
  582714.4169  0.0106 -5.1649 3   96.2660376  59516140423 419 2    22 220 2      C-13-H3C(O)CH3
  582719.4480  0.0108 -4.9952 3   96.2665376  59516140423 419 1    22 320 1      C-13-H3C(O)CH3
  582719.4480  0.0108 -4.9643 3   96.2665376  59516140423 519 1    22 220 1      C-13-H3C(O)CH3
  582719.4480  0.0108 -6.1152 3   96.2665376  59516140423 519 1    22 320 1      C-13-H3C(O)CH3
  582747.6815  0.0044 -4.4239 3  164.1901212  595161404261214 3    251115 3      C-13-H3C(O)CH3
  582747.9461  0.0058 -4.4239 3  164.1901212  595161404261214 4    251115 4      C-13-H3C(O)CH3
  582809.5964  0.0057 -4.4238 3  164.1901212  595161404261314 4    251015 4      C-13-H3C(O)CH3
  582809.6062  0.0044 -4.4238 3  164.1901212  595161404261314 3    251015 3      C-13-H3C(O)CH3
  582832.9866  0.2150 -5.9726 3 1510.8625D68  595161404851669 0    851670 0      C-13-H3C(O)CH3
  582832.9866  0.2150 -5.9726 3 1510.8625D68  595161404851769 0    851570 0      C-13-H3C(O)CH3
  582897.8900  0.0038 -3.6103 3  505.3705744  595161404461630 0    451729 0      C-13-H3C(O)CH3
  582897.8900  0.0038 -3.6104 3  505.3705744  595161404461730 0    451629 0      C-13-H3C(O)CH3
  582911.2538  0.2639 -5.8614 3 1510.8773D68  595161404851769 1    851670 1      C-13-H3C(O)CH3
  582911.2538  0.2639 -5.8614 3 1510.8773D68  595161404851669 1    851570 1      C-13-H3C(O)CH3
  582913.0716  0.0054 -3.6097 3  505.3443744  595161404461630 1    451729 1      C-13-H3C(O)CH3
  582913.0716  0.0054 -3.6097 3  505.3443744  595161404461730 1    451629 1      C-13-H3C(O)CH3
  582916.6591  0.0055 -3.6097 3  505.3431744  595161404461630 2    451729 2      C-13-H3C(O)CH3
  582916.6591  0.0055 -3.6098 3  505.3431744  595161404461730 2    451629 2      C-13-H3C(O)CH3
  582917.5582  0.0042 -4.1225 3  164.1885424  595161404261214 2    251115 2      C-13-H3C(O)CH3
  582918.8359  0.2618 -5.8614 3 1510.8776D68  595161404851669 2    851670 2      C-13-H3C(O)CH3
  582918.8359  0.2618 -5.8614 3 1510.8776D68  595161404851769 2    851570 2      C-13-H3C(O)CH3
  582931.8577  0.0056 -3.9107 3  505.3169372  595161404461630 4    451729 4      C-13-H3C(O)CH3
  582931.8577  0.0056 -3.9108 3  505.3169372  595161404461730 4    451629 4      C-13-H3C(O)CH3
  582931.8717  0.0056 -3.9107 3  505.3170372  595161404461730 3    451629 3      C-13-H3C(O)CH3
  582931.8717  0.0056 -3.9107 3  505.3170372  595161404461630 3    451729 3      C-13-H3C(O)CH3
  582952.6788  0.0063 -5.9422 3   97.3998328  5951614042013 8 0    19 811 0      C-13-H3C(O)CH3
  582954.5722  0.0042 -4.1226 3  164.1909424  595161404261214 1    251115 1      C-13-H3C(O)CH3
  582981.1734  0.0042 -4.1225 3  164.1885424  595161404261314 2    251015 2      C-13-H3C(O)CH3
  582997.2413  0.1487 -6.3167 3 1510.8924684  595161404851669 3    851670 3      C-13-H3C(O)CH3
  582997.2413  0.1487 -6.3167 3 1510.8924684  595161404851769 3    851570 3      C-13-H3C(O)CH3
  582997.4195  0.1487 -6.2296 3 1510.8924684  595161404851769 4    851570 4      C-13-H3C(O)CH3
  582997.4195  0.1487 -6.2296 3 1510.8924684  595161404851669 4    851670 4      C-13-H3C(O)CH3
  583009.2828  0.1433 -5.5198 3  784.2844B12  59516140469 168 0    69 169 0      C-13-H3C(O)CH3
  583009.2828  0.1433 -5.5198 3  784.2844B12  59516140469 268 0    69 069 0      C-13-H3C(O)CH3
  583016.0028  0.0042 -4.1225 3  164.1908424  595161404261314 1    251015 1      C-13-H3C(O)CH3
  583026.4698  0.0633 -5.8202 3  719.7849412  595161404513319 3    503417 3      C-13-H3C(O)CH3
  583124.0231  0.0043 -4.1222 3  164.1893424  595161404261214 0    251115 0      C-13-H3C(O)CH3
  583187.2140  0.0043 -4.1221 3  164.1893424  595161404261314 0    251015 0      C-13-H3C(O)CH3
  583197.9171  0.0592 -5.5213 3  894.4554904  595161404564017 2    554114 2      C-13-H3C(O)CH3
  583199.4834  0.0885 -5.4427 3  689.8322404  595161404503218 4    493316 4      C-13-H3C(O)CH3
  583225.5396  0.0618 -5.5214 3  894.4120904  595161404564017 0    554114 0      C-13-H3C(O)CH3
  583226.4734  0.0619 -5.5214 3  894.4120904  595161404564016 0    554115 0      C-13-H3C(O)CH3
  583241.7036  0.0101 -5.0354 3   96.2165376  59516140423 419 0    22 320 0      C-13-H3C(O)CH3
  583241.7036  0.0101 -5.7749 3   96.2165376  59516140423 519 0    22 320 0      C-13-H3C(O)CH3
  583241.7036  0.0101 -5.7699 3   96.2165376  59516140423 419 0    22 220 0      C-13-H3C(O)CH3
  583241.7036  0.0101 -5.0345 3   96.2165376  59516140423 519 0    22 220 0      C-13-H3C(O)CH3
  583269.4237  0.0487 -5.0130 3  719.7474824  595161404513319 0    503416 0      C-13-H3C(O)CH3
  583276.6989  0.0612 -5.8223 3  894.4862452  595161404564017 4    554114 4      C-13-H3C(O)CH3
  583304.1557  0.0644 -5.5214 3  894.4427904  595161404564017 1    554115 1      C-13-H3C(O)CH3
  583368.4764  0.1985 -5.7875 3 1459.8887D52  595161404841669 0    841570 0      C-13-H3C(O)CH3
  583368.4764  0.1985 -5.7875 3 1459.8887D52  595161404841569 0    841470 0      C-13-H3C(O)CH3
  583393.4859  0.0973 -5.3430 3  660.4909792  595161404493118 2    483216 2      C-13-H3C(O)CH3
  583412.6242  0.0583 -5.8225 3  894.4885452  595161404564017 3    554114 3      C-13-H3C(O)CH3
  583421.5740  0.0922 -6.3336 3  660.4852396  595161404493118 3    483216 3      C-13-H3C(O)CH3
  583441.1893  0.0585 -5.5213 3  894.4450904  595161404564016 1    554114 1      C-13-H3C(O)CH3
  583471.9884  0.2445 -5.9000 3 1459.8991D52  595161404841569 1    841470 1      C-13-H3C(O)CH3
  583471.9884  0.2445 -6.3838 3 1459.8991D52  595161404841669 1    841470 1      C-13-H3C(O)CH3
  583471.9884  0.2445 -5.9000 3 1459.8991D52  595161404841669 1    841570 1      C-13-H3C(O)CH3
  583471.9884  0.2445 -6.3838 3 1459.8991D52  595161404841569 1    841570 1      C-13-H3C(O)CH3
  583477.6818  0.2439 -5.9663 3 1459.8992D52  595161404841569 2    841570 2      C-13-H3C(O)CH3
  583477.6818  0.2439 -6.2281 3 1459.8992D52  595161404841569 2    841470 2      C-13-H3C(O)CH3
  583477.6818  0.2439 -6.2281 3 1459.8992D52  595161404841669 2    841570 2      C-13-H3C(O)CH3
  583477.6818  0.2439 -5.9663 3 1459.8992D52  595161404841669 2    841470 2      C-13-H3C(O)CH3
  583486.2075  0.0913 -6.2095 3  847.3741904  595161404563225 2    562928 2      C-13-H3C(O)CH3
  583496.7946  0.0754 -6.2092 3  847.3739904  595161404563225 1    562928 1      C-13-H3C(O)CH3
  583501.1960  0.0554 -5.5214 3  894.4528904  595161404564016 2    554115 2      C-13-H3C(O)CH3
  583507.6454  0.0569 -5.2012 3  719.7508824  595161404513319 2    503417 2      C-13-H3C(O)CH3
  583528.1151  0.0717 -6.2098 3  847.3705904  595161404563225 0    562928 0      C-13-H3C(O)CH3
  583528.8613  0.0694 -5.4181 3  719.7521412  595161404513319 4    503417 4      C-13-H3C(O)CH3
  583575.9816  0.0139 -6.0811 3  527.9047728  595161404452223 0    451926 0      C-13-H3C(O)CH3
  583579.3305  0.0575 -5.8226 3  894.4835452  595161404564016 3    554115 3      C-13-H3C(O)CH3
  583581.3508  0.1395 -6.2933 3 1459.9096676  595161404841669 3    841470 3      C-13-H3C(O)CH3
  583581.3508  0.1395 -6.2933 3 1459.9096676  595161404841569 3    841570 3      C-13-H3C(O)CH3
  583581.5585  0.1395 -6.1306 3 1459.9096676  595161404841569 4    841570 4      C-13-H3C(O)CH3
  583581.5585  0.1395 -6.1306 3 1459.9096676  595161404841669 4    841470 4      C-13-H3C(O)CH3
  583584.6275  0.0139 -6.0811 3  527.9047728  595161404452323 0    452026 0      C-13-H3C(O)CH3
  583598.5146  0.0497 -5.2449 3  719.7457824  595161404513319 1    503417 1      C-13-H3C(O)CH3
  583605.1821  0.0298 -6.1076 3  694.2730824  595161404512724 0    512427 0      C-13-H3C(O)CH3
  583622.0273  0.0467 -6.1074 3  694.2641824  595161404512724 2    512427 2      C-13-H3C(O)CH3
  583646.1534  0.0320 -6.1068 3  694.2649824  595161404512724 1    512427 1      C-13-H3C(O)CH3
  583647.6128  0.0043 -3.5592 3  277.0098252  5951614043125 6 4    3024 6 4      C-13-H3C(O)CH3
  583657.1456  0.0186 -6.0812 3  527.8808728  595161404452223 2    451926 2      C-13-H3C(O)CH3
  583659.0725  0.0684 -5.5960 3  820.5015436  595161404543718 4    533816 4      C-13-H3C(O)CH3
  583659.3503  0.0037 -4.2285 3  570.8393444 -59516140455 749 4    54 748 4      C-13-H3C(O)CH3
  583659.3503  0.0037 -3.9557 3  570.8393444 -59516140455 749 3    54 648 3      C-13-H3C(O)CH3
  583659.3503  0.0037 -3.9557 3  570.8393444 -59516140455 649 3    54 748 3      C-13-H3C(O)CH3
  583659.3503  0.0037 -3.7917 3  570.8393444 -59516140455 649 4    54 648 4      C-13-H3C(O)CH3
  583659.3503  0.0037 -3.9889 3  570.8393444 -59516140455 749 4    54 648 4      C-13-H3C(O)CH3
  583659.3835  0.0037 -4.2929 3  570.8393444  59516140455 749 3    54 748 3      C-13-H3C(O)CH3
  583659.3835  0.0037 -4.2929 3  570.8393444  59516140455 649 3    54 648 3      C-13-H3C(O)CH3
  583662.6474  0.0486 -6.4076 3  694.2560412  595161404512724 3    512427 3      C-13-H3C(O)CH3
  583663.1603  0.0490 -6.4076 3  694.2560412  595161404512724 4    512427 4      C-13-H3C(O)CH3
  583666.4289  0.0186 -6.0811 3  527.8808728  595161404452323 2    452026 2      C-13-H3C(O)CH3
  583681.7806  0.0055 -3.5322 3  570.8631888 -59516140455 749 2    54 648 2      C-13-H3C(O)CH3
  583681.7806  0.0055 -3.5322 3  570.8631888 -59516140455 649 2    54 748 2      C-13-H3C(O)CH3
  583681.7806  0.0057 -3.5416 3  570.8634888 -59516140455 749 1    54 748 1      C-13-H3C(O)CH3
  583681.7806  0.0055 -4.5273 3  570.8631888 -59516140455 649 2    54 648 2      C-13-H3C(O)CH3
  583681.7806  0.0057 -3.5416 3  570.8634888 -59516140455 649 1    54 648 1      C-13-H3C(O)CH3
  583681.7806  0.0057 -4.4436 3  570.8634888 -59516140455 649 1    54 748 1      C-13-H3C(O)CH3
  583681.7806  0.0055 -4.5273 3  570.8631888 -59516140455 749 2    54 748 2      C-13-H3C(O)CH3
  583681.7806  0.0057 -4.4436 3  570.8634888 -59516140455 749 1    54 648 1      C-13-H3C(O)CH3
  583683.9344  0.0150 -6.0800 3  527.8825728  595161404452223 1    451926 1      C-13-H3C(O)CH3
  583692.9849  0.0150 -6.0800 3  527.8825728  595161404452323 1    452026 1      C-13-H3C(O)CH3
  583704.0790  0.0036 -3.9118 3  570.8872888 -59516140455 649 0    54 648 0      C-13-H3C(O)CH3
  583704.0790  0.0036 -3.9118 3  570.8872888 -59516140455 749 0    54 748 0      C-13-H3C(O)CH3
  583704.0790  0.0036 -3.6972 3  570.8872888 -59516140455 649 0    54 748 0      C-13-H3C(O)CH3
  583704.0790  0.0036 -3.6972 3  570.8872888 -59516140455 749 0    54 648 0      C-13-H3C(O)CH3
  583717.3073  0.0647 -5.8223 3  894.4858452  595161404564016 4    554115 4      C-13-H3C(O)CH3
  583733.0263  0.0036 -3.2579 3  277.0327504 -5951614043125 6 1    3024 6 1      C-13-H3C(O)CH3
  583734.5581  0.0664 -5.2952 3  820.4798872  595161404543718 2    533816 2      C-13-H3C(O)CH3
  583765.3205  0.0194 -6.3811 3  527.8585364  595161404452223 3    451926 3      C-13-H3C(O)CH3
  583765.5201  0.0195 -6.3811 3  527.8585364  595161404452223 4    451926 4      C-13-H3C(O)CH3
  583767.2061  0.0330 -4.8626 3  283.3401260  595161404322310 4    3122 9 4      C-13-H3C(O)CH3
  583770.8879  0.0039 -3.8834 3  516.3708760 -595161404471632 0    461631 0      C-13-H3C(O)CH3
  583770.8879  0.0039 -3.9113 3  516.3708760 -595161404471532 0    461631 0      C-13-H3C(O)CH3
  583770.9075  0.0039 -3.8834 3  516.3708760  595161404471532 0    461531 0      C-13-H3C(O)CH3
  583770.9075  0.0039 -3.9113 3  516.3708760  595161404471632 0    461531 0      C-13-H3C(O)CH3
  583772.8391  0.0037 -3.2578 3  277.0475504 -5951614043125 6 2    3024 6 2      C-13-H3C(O)CH3
  583775.0419  0.0194 -6.3811 3  527.8585364  595161404452323 3    452026 3      C-13-H3C(O)CH3
  583775.2075  0.0195 -6.3811 3  527.8585364  595161404452323 4    452026 4      C-13-H3C(O)CH3
  583784.4473  0.0057 -3.8465 3  516.3439760  595161404471532 1    461531 1      C-13-H3C(O)CH3
  583784.4473  0.0057 -3.8465 3  516.3439760  595161404471632 1    461631 1      C-13-H3C(O)CH3
  583784.4473  0.0057 -3.9544 3  516.3439760  595161404471632 1    461531 1      C-13-H3C(O)CH3
  583784.4473  0.0057 -3.9544 3  516.3439760  595161404471532 1    461631 1      C-13-H3C(O)CH3
  583787.2137  0.0058 -4.1701 3  516.3429760  595161404471632 2    461631 2      C-13-H3C(O)CH3
  583787.2137  0.0058 -3.7307 3  516.3429760  595161404471632 2    461531 2      C-13-H3C(O)CH3
  583787.2137  0.0058 -3.7307 3  516.3429760  595161404471532 2    461631 2      C-13-H3C(O)CH3
  583787.2137  0.0058 -4.1701 3  516.3429760  595161404471532 2    461531 2      C-13-H3C(O)CH3
  583792.8781  0.0869 -5.2439 3  689.8016808  595161404503218 2    493316 2      C-13-H3C(O)CH3
  583795.3904  0.0040 -3.5591 3  276.9950252  5951614043125 7 3    3024 6 3      C-13-H3C(O)CH3
  583800.7659  0.0057 -3.9710 3  516.3160380  595161404471632 4    461631 4      C-13-H3C(O)CH3
  583800.7659  0.0057 -4.7022 3  516.3160380  595161404471532 4    461631 4      C-13-H3C(O)CH3
  583800.7659  0.0057 -3.9710 3  516.3160380  595161404471532 4    461531 4      C-13-H3C(O)CH3
  583800.7659  0.0057 -4.7022 3  516.3160380  595161404471632 4    461531 4      C-13-H3C(O)CH3
  583800.7830  0.0057 -3.9000 3  516.3160380  595161404471632 3    461531 3      C-13-H3C(O)CH3
  583800.7830  0.0057 -6.0632 3  516.3160380  595161404471532 3    461531 3      C-13-H3C(O)CH3
  583800.7830  0.0057 -3.9000 3  516.3160380  595161404471532 3    461631 3      C-13-H3C(O)CH3
  583800.7830  0.0057 -6.0632 3  516.3160380  595161404471632 3    461631 3      C-13-H3C(O)CH3
  583820.0644  0.0567 -5.4586 3  660.4771792  595161404493118 1    483216 1      C-13-H3C(O)CH3
  583828.1508  0.0185 -4.4628 3  283.3588520  595161404322310 1    3122 9 1      C-13-H3C(O)CH3
  583858.0458  0.0031 -3.2576 3  277.0701504 -5951614043125 7 0    3024 6 0      C-13-H3C(O)CH3
  583858.0458  0.0031 -3.2576 3  277.0701504 -5951614043125 6 0    3024 7 0      C-13-H3C(O)CH3
  583860.1344  0.0039 -3.5588 3  276.9943252  5951614043125 6 3    3024 7 3      C-13-H3C(O)CH3
  583864.8593  0.0293 -6.1073 3  694.2730824  595161404512824 0    512527 0      C-13-H3C(O)CH3
  583865.7443  0.0941 -6.3602 3 1148.9991A00  595161404625013 1    615111 1      C-13-H3C(O)CH3
  583883.7402  0.0301 -4.6449 3  283.3362260  595161404322310 3    3122 9 3      C-13-H3C(O)CH3
  583891.1034  0.1775 -6.0253 3 1409.4911D36  595161404831569 0    831470 0      C-13-H3C(O)CH3
  583891.1034  0.1775 -5.9771 3 1409.4911D36  595161404831569 0    831370 0      C-13-H3C(O)CH3
  583891.1034  0.1775 -5.9771 3 1409.4911D36  595161404831469 0    831470 0      C-13-H3C(O)CH3
  583891.1034  0.1775 -6.0253 3 1409.4911D36  595161404831469 0    831370 0      C-13-H3C(O)CH3
  583892.3678  0.0619 -5.6067 3  820.5184436  595161404543718 3    533816 3      C-13-H3C(O)CH3
  583893.6462  0.0688 -5.2955 3  820.4688872  595161404543718 1    533816 1      C-13-H3C(O)CH3
  583896.7065  0.0444 -6.1070 3  694.2641824  595161404512824 2    512527 2      C-13-H3C(O)CH3
  583914.5400  0.0907 -6.0110 3  689.7987404  595161404503218 3    493316 3      C-13-H3C(O)CH3
  583918.2007  0.0321 -6.1064 3  694.2650824  595161404512824 1    512527 1      C-13-H3C(O)CH3
  583919.7437  0.0033 -3.2577 3  277.0326504 -5951614043125 7 2    3024 7 2      C-13-H3C(O)CH3
  583944.5240  0.0032 -3.2575 3  277.0172504 -5951614043125 7 1    3024 7 1      C-13-H3C(O)CH3
  583945.6987  0.0681 -5.2949 3  820.4471872  595161404543718 0    533815 0      C-13-H3C(O)CH3
  583950.3817  0.0467 -6.4073 3  694.2560412  595161404512824 4    512527 4      C-13-H3C(O)CH3
  583950.4772  0.0463 -6.4073 3  694.2560412  595161404512824 3    512527 3      C-13-H3C(O)CH3
  583968.6194  0.0787 -6.3600 3 1148.9971A00  595161404625012 0    615110 0      C-13-H3C(O)CH3
  583968.6194  0.0787 -6.3600 3 1148.9971A00  595161404625013 0    615111 0      C-13-H3C(O)CH3
  583998.6530  0.0682 -5.2948 3  820.4470872  595161404543717 0    533816 0      C-13-H3C(O)CH3
  584007.1804  0.0039 -3.5587 3  276.9796252  5951614043125 7 4    3024 7 4      C-13-H3C(O)CH3
  584018.1411  0.2174 -6.2141 3 1409.4962D36  595161404831469 1    831370 1      C-13-H3C(O)CH3
  584018.1411  0.2174 -6.2141 3 1409.4962D36  595161404831569 1    831470 1      C-13-H3C(O)CH3
  584018.1411  0.2174 -5.8577 3 1409.4962D36  595161404831569 1    831370 1      C-13-H3C(O)CH3
  584018.1411  0.2174 -5.8577 3 1409.4962D36  595161404831469 1    831470 1      C-13-H3C(O)CH3
  584021.9525  0.2181 -6.0443 3 1409.4961D36  595161404831569 2    831370 2      C-13-H3C(O)CH3
  584021.9525  0.2181 -6.0443 3 1409.4961D36  595161404831469 2    831470 2      C-13-H3C(O)CH3
  584021.9525  0.2181 -5.9604 3 1409.4961D36  595161404831569 2    831470 2      C-13-H3C(O)CH3
  584021.9525  0.2181 -5.9604 3 1409.4961D36  595161404831469 2    831370 2      C-13-H3C(O)CH3
  584031.1182  0.1014 -6.3605 3 1148.9886A00  595161404625013 2    615111 2      C-13-H3C(O)CH3
  584043.4140  0.0470 -5.6068 3  820.5195436  595161404543717 3    533815 3      C-13-H3C(O)CH3
  584073.3228  0.0971 -6.3604 3 1149.0220A00  595161404625012 1    615110 1      C-13-H3C(O)CH3
  584118.0703  0.0565 -5.2951 3  820.4978872  595161404543717 2    533815 2      C-13-H3C(O)CH3
  584133.8316  0.0677 -5.2953 3  820.4857872  595161404543717 1    533815 1      C-13-H3C(O)CH3
  584143.4252  0.0602 -5.3060 3  689.7870808  595161404503218 1    493316 1      C-13-H3C(O)CH3
  584149.1603  0.1289 -6.0161 3 1409.5012668  595161404831469 3    831470 3      C-13-H3C(O)CH3
  584149.1603  0.1289 -6.0161 3 1409.5012668  595161404831569 3    831370 3      C-13-H3C(O)CH3
  584149.3926  0.1290 -6.0482 3 1409.5012668  595161404831569 4    831370 4      C-13-H3C(O)CH3
  584149.3926  0.1290 -6.0482 3 1409.5012668  595161404831469 4    831470 4      C-13-H3C(O)CH3
  584169.2254  0.0044 -3.7258 3  283.3401260  5951614043223 9 4    3122 9 4      C-13-H3C(O)CH3
  584211.5455  0.0073 -3.4223 3  283.3621520  595161404322310 2    3122 9 2      C-13-H3C(O)CH3
  584226.6214  0.0032 -3.3938 3  283.3820520 -595161404322310 0    3122 9 0      C-13-H3C(O)CH3
  584226.6214  0.0037 -3.4330 3  283.3588520 -5951614043223 9 1    3122 9 1      C-13-H3C(O)CH3
  584240.3454  0.1027 -6.3605 3 1149.0220A00  595161404625012 2    615110 2      C-13-H3C(O)CH3
  584256.2876  0.0791 -5.2013 3  660.4574396  595161404493118 3    483217 3      C-13-H3C(O)CH3
  584278.8141  0.0539 -5.5957 3  820.5364436  595161404543717 4    533815 4      C-13-H3C(O)CH3
  584283.4436  0.0047 -3.7473 3  283.3362260  5951614043223 9 3    3122 9 3      C-13-H3C(O)CH3
  584300.0842  0.0076 -4.5906 3  283.3621520  5951614043223 9 2    3122 9 2      C-13-H3C(O)CH3
  584366.1970  0.0046 -3.7467 3  283.3201260  595161404322310 3    312210 3      C-13-H3C(O)CH3
  584397.5820  0.0732 -5.3206 3  689.7826404  595161404503218 3    493317 3      C-13-H3C(O)CH3
  584403.4697  0.1530 -5.6463 3 1359.6703D20  595161404821369 0    821270 0      C-13-H3C(O)CH3
  584403.4697  0.1530 -5.6463 3 1359.6703D20  595161404821469 0    821370 0      C-13-H3C(O)CH3
  584403.5896  0.0055 -4.3478 3  183.6305220  595161404271413 3    261314 3      C-13-H3C(O)CH3
  584406.9738  0.0066 -4.3478 3  183.6305220  595161404271413 4    261314 4      C-13-H3C(O)CH3
  584413.9474  0.0096 -6.3384 3  313.6980584  595161404361422 2    361125 2      C-13-H3C(O)CH3
  584413.9513  0.0096 -6.3384 3  313.6980584  595161404361522 2    361225 2      C-13-H3C(O)CH3
  584421.0703  0.0034 -3.4328 3  283.3390520 -595161404322310 1    312210 1      C-13-H3C(O)CH3
  584437.4921  0.0096 -6.3363 3  313.6994584  595161404361422 1    361125 1      C-13-H3C(O)CH3
  584437.4958  0.0096 -6.3363 3  313.6994584  595161404361522 1    361225 1      C-13-H3C(O)CH3
  584452.6678  0.0069 -4.5920 3  283.3540520  595161404322310 2    312210 2      C-13-H3C(O)CH3
  584474.3192  0.0049 -4.0467 3  183.6346440  595161404271413 2    261314 2      C-13-H3C(O)CH3
  584481.3780  0.0041 -3.7259 3  283.3162260  595161404322310 4    312210 4      C-13-H3C(O)CH3
  584505.1702  0.1131 -5.6145 3  631.8872388  595161404483018 4    473116 4      C-13-H3C(O)CH3
  584523.3230  0.0032 -3.3934 3  283.3751520 -5951614043223 9 0    312210 0      C-13-H3C(O)CH3
  584526.6707  0.0084 -6.3370 3  313.7214584  595161404361422 0    361125 0      C-13-H3C(O)CH3
  584526.6742  0.0084 -6.3370 3  313.7214584  595161404361522 0    361225 0      C-13-H3C(O)CH3
  584538.9764  0.0131 -5.8349 3  121.8512172  5951614042118 3 3    2015 5 3      C-13-H3C(O)CH3
  584541.2065  0.0066 -3.4220 3  283.3540520  5951614043223 9 2    312210 2      C-13-H3C(O)CH3
  584550.5515  0.1845 -5.8452 3 1359.6693D20  595161404821469 1    821370 1      C-13-H3C(O)CH3
  584550.5515  0.1845 -6.0260 3 1359.6693D20  595161404821369 1    821370 1      C-13-H3C(O)CH3
  584550.5515  0.1845 -5.8452 3 1359.6693D20  595161404821369 1    821270 1      C-13-H3C(O)CH3
  584550.5515  0.1845 -6.0260 3 1359.6693D20  595161404821469 1    821270 1      C-13-H3C(O)CH3
  584552.6355  0.1859 -5.6271 3 1359.6691D20  595161404821469 2    821370 2      C-13-H3C(O)CH3
  584552.6355  0.1859 -5.6271 3 1359.6691D20  595161404821369 2    821270 2      C-13-H3C(O)CH3
  584557.3115  0.0049 -4.0467 3  183.6381440  595161404271413 1    261314 1      C-13-H3C(O)CH3
  584576.2834  0.0415 -6.3474 3  655.3688792  595161404493020 2    483118 2      C-13-H3C(O)CH3
  584581.3767  0.0382 -6.2283 3  655.3637396  595161404493020 4    483118 4      C-13-H3C(O)CH3
  584626.9759  0.0047 -4.0465 3  183.6423440  595161404271413 0    261314 0      C-13-H3C(O)CH3
  584663.5303  0.0132 -5.7925 3  121.7837172  5951614042118 4 4    2015 6 4      C-13-H3C(O)CH3
  584699.8932  0.1176 -6.3651 3 1359.6681660  595161404821469 3    821270 3      C-13-H3C(O)CH3
  584699.8932  0.1176 -6.1224 3 1359.6681660  595161404821469 3    821370 3      C-13-H3C(O)CH3
  584699.8932  0.1176 -6.3651 3 1359.6681660  595161404821369 3    821370 3      C-13-H3C(O)CH3
  584699.8932  0.1176 -6.1224 3 1359.6681660  595161404821369 3    821270 3      C-13-H3C(O)CH3
  584700.1406  0.1176 -6.2890 3 1359.6681660  595161404821369 4    821370 4      C-13-H3C(O)CH3
  584700.1406  0.1176 -6.1728 3 1359.6681660  595161404821369 4    821270 4      C-13-H3C(O)CH3
  584700.1406  0.1176 -6.1728 3 1359.6681660  595161404821469 4    821370 4      C-13-H3C(O)CH3
  584700.1406  0.1176 -6.2890 3 1359.6681660  595161404821469 4    821270 4      C-13-H3C(O)CH3
  584712.1965  0.0039 -3.6550 3  526.8016776  595161404481534 0    471433 0      C-13-H3C(O)CH3
  584712.1965  0.0039 -6.2908 3  526.8016776  595161404481534 0    471533 0      C-13-H3C(O)CH3
  584712.1965  0.0039 -4.4061 3  526.8016776  595161404481434 0    471433 0      C-13-H3C(O)CH3
  584712.1965  0.0039 -3.5849 3  526.8016776  595161404481434 0    471533 0      C-13-H3C(O)CH3
  584723.4779  0.0060 -3.6322 3  526.7740776  595161404481534 1    471533 1      C-13-H3C(O)CH3
  584723.4779  0.0060 -3.6322 3  526.7740776  595161404481434 1    471433 1      C-13-H3C(O)CH3
  584723.4779  0.0060 -4.5629 3  526.7740776  595161404481434 1    471533 1      C-13-H3C(O)CH3
  584723.4779  0.0060 -4.5629 3  526.7740776  595161404481534 1    471433 1      C-13-H3C(O)CH3
  584725.6446  0.0061 -3.6308 3  526.7731776  595161404481534 2    471433 2      C-13-H3C(O)CH3
  584725.6446  0.0061 -4.5753 3  526.7731776  595161404481534 2    471533 2      C-13-H3C(O)CH3
  584725.6446  0.0061 -3.6308 3  526.7731776  595161404481434 2    471533 2      C-13-H3C(O)CH3
  584725.6446  0.0061 -4.5753 3  526.7731776  595161404481434 2    471433 2      C-13-H3C(O)CH3
  584736.9311  0.0056 -4.0552 3  526.7454388  595161404481434 4    471433 4      C-13-H3C(O)CH3
  584736.9311  0.0056 -4.3741 3  526.7454388  595161404481534 4    471433 4      C-13-H3C(O)CH3
  584736.9311  0.0056 -4.3741 3  526.7454388  595161404481434 4    471533 4      C-13-H3C(O)CH3
  584736.9311  0.0056 -4.0552 3  526.7454388  595161404481534 4    471533 4      C-13-H3C(O)CH3
  584736.9528  0.0057 -4.3685 3  526.7455388  595161404481534 3    471533 3      C-13-H3C(O)CH3
  584736.9528  0.0057 -4.0580 3  526.7455388  595161404481434 3    471533 3      C-13-H3C(O)CH3
  584736.9528  0.0057 -4.0580 3  526.7455388  595161404481534 3    471433 3      C-13-H3C(O)CH3
  584736.9528  0.0057 -4.3685 3  526.7455388  595161404481434 3    471433 3      C-13-H3C(O)CH3
  584737.4597  0.0152 -5.8014 3  121.9057172  5951614042118 3 4    2015 5 4      C-13-H3C(O)CH3
  584765.9004  0.0301 -4.6439 3  283.3201260  5951614043223 9 3    312210 3      C-13-H3C(O)CH3
  584779.1559  0.0035 -5.1442 3  576.3061452  59516140456 651 4    55 550 4      C-13-H3C(O)CH3
  584779.1559  0.0035 -3.8005 3  576.3061452  59516140456 551 4    55 550 4      C-13-H3C(O)CH3
  584779.2041  0.0035 -3.7813 3  576.3061452  59516140456 651 3    55 550 3      C-13-H3C(O)CH3
  584779.2986  0.0035 -5.1442 3  576.3061452 -59516140456 551 4    55 650 4      C-13-H3C(O)CH3
  584779.2986  0.0035 -3.8005 3  576.3061452 -59516140456 651 4    55 650 4      C-13-H3C(O)CH3
  584779.2986  0.0035 -3.7813 3  576.3061452 -59516140456 551 3    55 650 3      C-13-H3C(O)CH3
  584805.1788  0.0051 -4.2734 3  576.3253904  59516140456 551 1    55 650 1      C-13-H3C(O)CH3
  584805.1788  0.0051 -3.5565 3  576.3253904  59516140456 651 1    55 650 1      C-13-H3C(O)CH3
  584805.4950  0.0049 -4.8028 3  576.3250904  59516140456 651 2    55 650 2      C-13-H3C(O)CH3
  584805.4950  0.0049 -3.5014 3  576.3250904  59516140456 551 2    55 650 2      C-13-H3C(O)CH3
  584805.6136  0.0051 -4.2734 3  576.3253904 -59516140456 651 1    55 550 1      C-13-H3C(O)CH3
  584805.6136  0.0051 -3.5565 3  576.3253904 -59516140456 551 1    55 550 1      C-13-H3C(O)CH3
  584805.6136  0.0049 -3.5014 3  576.3250904 -59516140456 651 2    55 550 2      C-13-H3C(O)CH3
  584805.6136  0.0049 -4.8028 3  576.3250904 -59516140456 551 2    55 550 2      C-13-H3C(O)CH3
  584819.6426  0.0176 -4.4615 3  283.3390520  5951614043223 9 1    312210 1      C-13-H3C(O)CH3
  584831.4387  0.0035 -3.7665 3  576.3441904  59516140456 651 0    55 550 0      C-13-H3C(O)CH3
  584831.4387  0.0035 -3.7530 3  576.3441904  59516140456 551 0    55 650 0      C-13-H3C(O)CH3
  584831.5605  0.0035 -3.8116 3  576.3441904 -59516140456 651 0    55 650 0      C-13-H3C(O)CH3
  584831.5605  0.0035 -3.7967 3  576.3441904 -59516140456 551 0    55 550 0      C-13-H3C(O)CH3
  584856.2646  0.0136 -5.8356 3  121.8383172  5951614042118 4 3    2015 6 3      C-13-H3C(O)CH3
  584883.3972  0.0319 -4.8612 3  283.3162260  5951614043223 9 4    312210 4      C-13-H3C(O)CH3
  584908.6311  0.1266 -5.5610 3 1310.4268D04  595161404811369 0    811270 0      C-13-H3C(O)CH3
  584908.6311  0.1266 -5.5610 3 1310.4268D04  595161404811269 0    811170 0      C-13-H3C(O)CH3
  585061.7988  0.0633 -5.0469 3  660.4352792  595161404493118 2    483217 2      C-13-H3C(O)CH3
  585070.1715  0.1482 -5.5799 3 1310.4192D04  595161404811369 1    811170 1      C-13-H3C(O)CH3
  585070.1715  0.1482 -5.5799 3 1310.4192D04  595161404811269 1    811270 1      C-13-H3C(O)CH3
  585070.8193  0.1498 -5.7252 3 1310.4190D04  595161404811369 2    811270 2      C-13-H3C(O)CH3
  585070.8193  0.1498 -6.0440 3 1310.4190D04  595161404811369 2    811170 2      C-13-H3C(O)CH3
  585070.8193  0.1498 -5.7252 3 1310.4190D04  595161404811269 2    811170 2      C-13-H3C(O)CH3
  585070.8193  0.1498 -6.0440 3 1310.4190D04  595161404811269 2    811270 2      C-13-H3C(O)CH3
  585096.2745  0.0492 -4.9386 3  689.7493808  595161404503218 0    493317 0      C-13-H3C(O)CH3
  585126.9621  0.0562 -5.7555 3  972.2214936  595161404584316 0    574413 0      C-13-H3C(O)CH3
  585126.9737  0.0562 -5.7555 3  972.2214936  595161404584315 0    574414 0      C-13-H3C(O)CH3
  585147.4795  0.0483 -4.9983 3  660.4329792  595161404493118 1    483217 1      C-13-H3C(O)CH3
  585177.2726  0.0475 -4.8688 3  660.4341792  595161404493118 0    483217 0      C-13-H3C(O)CH3
  585188.0524  0.1976 -5.8864 3  908.9026936  595161404583326 0    573423 0      C-13-H3C(O)CH3
  585232.5321  0.1059 -5.9326 3 1310.4115652  595161404811369 3    811270 3      C-13-H3C(O)CH3
  585232.5321  0.1059 -5.9326 3 1310.4115652  595161404811269 3    811170 3      C-13-H3C(O)CH3
  585232.7790  0.1060 -5.9156 3 1310.4115652  595161404811269 4    811270 4      C-13-H3C(O)CH3
  585232.7790  0.1060 -5.9156 3 1310.4115652  595161404811369 4    811170 4      C-13-H3C(O)CH3
  585240.2528  0.0595 -5.2360 3  689.7534808  595161404503218 2    493317 2      C-13-H3C(O)CH3
  585261.0738  0.0547 -5.1825 3  689.7497808  595161404503218 1    493317 1      C-13-H3C(O)CH3
  585263.3986  0.0117 -5.5001 3  121.8783344  5951614042118 3 1    2015 5 1      C-13-H3C(O)CH3
  585264.4919  0.0617 -5.7555 3  972.2671936  595161404584315 2    574413 2      C-13-H3C(O)CH3
  585283.7114  0.1017 -5.5593 3  631.8694776  595161404483018 2    473116 2      C-13-H3C(O)CH3
  585286.0243  0.0073 -3.8537 3  295.4487268  595161404332212 3    322111 3      C-13-H3C(O)CH3
  585288.8604  0.0050 -3.5466 3  295.4696536  595161404332212 1    322111 1      C-13-H3C(O)CH3
  585302.7964  0.0583 -5.7555 3  972.2553936  595161404584315 1    574413 1      C-13-H3C(O)CH3
  585309.3763  0.0580 -5.7555 3  972.2448936  595161404584316 1    574414 1      C-13-H3C(O)CH3
  585330.5774  0.0055 -3.8445 3  295.4481268  595161404332212 4    322111 4      C-13-H3C(O)CH3
  585344.4750  0.0658 -5.4475 3  660.4264396  595161404493118 4    483217 4      C-13-H3C(O)CH3
  585355.8720  0.0114 -5.4961 3  121.8119344  5951614042118 4 1    2015 6 1      C-13-H3C(O)CH3
  585410.1374  0.1003 -5.4896 3 1261.7611C88  595161404801269 0    801170 0      C-13-H3C(O)CH3
  585410.1374  0.1003 -5.4896 3 1261.7611C88  595161404801169 0    801070 0      C-13-H3C(O)CH3
  585424.3710  0.0040 -3.5427 3  295.4890536 -595161404332212 0    322111 0      C-13-H3C(O)CH3
  585426.3459  0.0113 -5.4982 3  121.8233344  5951614042118 4 2    2015 6 2      C-13-H3C(O)CH3
  585431.0349  0.0583 -5.7556 3  972.2472936  595161404584316 2    574414 2      C-13-H3C(O)CH3
  585440.7074  0.0741 -6.0565 3  972.3010468  595161404584315 4    574413 4      C-13-H3C(O)CH3
  585445.5806  0.0044 -3.5442 3  295.4679536  595161404332212 2    322111 2      C-13-H3C(O)CH3
  585446.9465  0.0752 -6.0565 3  972.2905468  595161404584315 3    574413 3      C-13-H3C(O)CH3
  585577.6977  0.1138 -5.6534 3 1261.7466C88  595161404801169 2    801170 2      C-13-H3C(O)CH3
  585577.6977  0.1138 -5.6534 3 1261.7466C88  595161404801269 2    801070 2      C-13-H3C(O)CH3
  585577.6977  0.1138 -5.9901 3 1261.7466C88  595161404801169 2    801070 2      C-13-H3C(O)CH3
  585577.6977  0.1138 -5.9901 3 1261.7466C88  595161404801269 2    801170 2      C-13-H3C(O)CH3
  585578.0811  0.1128 -5.5186 3 1261.7468C88  595161404801169 1    801170 1      C-13-H3C(O)CH3
  585578.0811  0.1128 -5.5186 3 1261.7468C88  595161404801269 1    801070 1      C-13-H3C(O)CH3
  585584.4080  0.0110 -5.5030 3  121.8791344  5951614042118 3 2    2015 5 2      C-13-H3C(O)CH3
  585607.4311  0.0724 -6.0567 3  972.2811468  595161404584316 3    574414 3      C-13-H3C(O)CH3
  585615.0203  0.0773 -6.0567 3  972.2706468  595161404584316 4    574414 4      C-13-H3C(O)CH3
  585690.3515  0.0702 -5.6693 3  689.7491404  595161404503218 4    493317 4      C-13-H3C(O)CH3
  585701.5464  0.0039 -3.6056 3  536.6706792 -595161404491436 0    481435 0      C-13-H3C(O)CH3
  585701.5464  0.0039 -3.6056 3  536.6706792 -595161404491336 0    481335 0      C-13-H3C(O)CH3
  585701.5464  0.0039 -4.7172 3  536.6706792 -595161404491436 0    481335 0      C-13-H3C(O)CH3
  585701.5464  0.0039 -4.7172 3  536.6706792 -595161404491336 0    481435 0      C-13-H3C(O)CH3
  585710.0512  0.0063 -3.5786 3  536.6422792 -595161404491436 1    481435 1      C-13-H3C(O)CH3
  585710.0512  0.0063 -3.5786 3  536.6422792 -595161404491336 1    481335 1      C-13-H3C(O)CH3
  585710.0512  0.0063 -5.4809 3  536.6422792 -595161404491336 1    481435 1      C-13-H3C(O)CH3
  585710.0512  0.0063 -5.4809 3  536.6422792 -595161404491436 1    481335 1      C-13-H3C(O)CH3
  585711.9024  0.0064 -4.6298 3  536.6415792 -595161404491436 2    481335 2      C-13-H3C(O)CH3
  585711.9024  0.0064 -3.6131 3  536.6415792 -595161404491436 2    481435 2      C-13-H3C(O)CH3
  585711.9024  0.0064 -4.6298 3  536.6415792 -595161404491336 2    481435 2      C-13-H3C(O)CH3
  585711.9024  0.0064 -3.6131 3  536.6415792 -595161404491336 2    481335 2      C-13-H3C(O)CH3
  585720.2348  0.0056 -6.2235 3  536.6130396 -595161404491436 4    481435 4      C-13-H3C(O)CH3
  585720.2348  0.0056 -4.4108 3  536.6130396 -595161404491436 3    481435 3      C-13-H3C(O)CH3
  585720.2348  0.0056 -4.0233 3  536.6130396 -595161404491436 3    481335 3      C-13-H3C(O)CH3
  585720.2348  0.0056 -3.8761 3  536.6130396 -595161404491436 4    481335 4      C-13-H3C(O)CH3
  585720.2348  0.0056 -6.2235 3  536.6130396 -595161404491336 4    481335 4      C-13-H3C(O)CH3
  585720.2348  0.0056 -3.8761 3  536.6130396 -595161404491336 4    481435 4      C-13-H3C(O)CH3
  585720.2348  0.0056 -4.4108 3  536.6130396 -595161404491336 3    481335 3      C-13-H3C(O)CH3
  585720.2348  0.0056 -4.0233 3  536.6130396 -595161404491336 3    481435 3      C-13-H3C(O)CH3
  585745.8000  0.0948 -6.1891 3 1261.7323644  595161404801269 3    801170 3      C-13-H3C(O)CH3
  585745.8000  0.0948 -6.0103 3 1261.7323644  595161404801269 3    801070 3      C-13-H3C(O)CH3
  585745.8000  0.0948 -6.0103 3 1261.7323644  595161404801169 3    801170 3      C-13-H3C(O)CH3
  585745.8000  0.0948 -6.1891 3 1261.7323644  595161404801169 3    801070 3      C-13-H3C(O)CH3
  585746.0231  0.0948 -5.8175 3 1261.7323644  595161404801169 4    801170 4      C-13-H3C(O)CH3
  585746.0231  0.0948 -5.8175 3 1261.7323644  595161404801269 4    801070 4      C-13-H3C(O)CH3
  585753.5290  0.0526 -5.7703 3  631.8582776  595161404483018 1    473116 1      C-13-H3C(O)CH3
  585770.4848  0.0701 -5.4142 3  719.8287412  595161404513318 4    503416 4      C-13-H3C(O)CH3
  585908.0556  0.0033 -4.5681 3  581.2363460  59516140457 453 4    56 552 4      C-13-H3C(O)CH3
  585908.0556  0.0033 -3.8464 3  581.2363460  59516140457 553 4    56 552 4      C-13-H3C(O)CH3
  585908.0900  0.0033 -5.2031 3  581.2363460  59516140457 553 3    56 452 3      C-13-H3C(O)CH3
  585908.0900  0.0033 -3.7873 3  581.2363460  59516140457 453 3    56 452 3      C-13-H3C(O)CH3
  585908.1103  0.0033 -3.7873 3  581.2363460 -59516140457 553 3    56 552 3      C-13-H3C(O)CH3
  585908.1103  0.0033 -4.5681 3  581.2363460 -59516140457 553 4    56 452 4      C-13-H3C(O)CH3
  585908.1103  0.0033 -5.2031 3  581.2363460 -59516140457 453 3    56 552 3      C-13-H3C(O)CH3
  585908.1103  0.0033 -3.8464 3  581.2363460 -59516140457 453 4    56 452 4      C-13-H3C(O)CH3
  585912.0697  0.0767 -6.3220 3 1213.6734C72  595161404791169 0    791070 0      C-13-H3C(O)CH3
  585912.0697  0.0767 -6.3220 3 1213.6734C72  595161404791069 0    79 970 0      C-13-H3C(O)CH3
  585912.0697  0.0767 -5.4871 3 1213.6734C72  595161404791169 0    79 970 0      C-13-H3C(O)CH3
  585912.0697  0.0767 -5.4871 3 1213.6734C72  595161404791069 0    791070 0      C-13-H3C(O)CH3
  585936.6751  0.0047 -5.0029 3  581.2481920  59516140457 453 1    56 452 1      C-13-H3C(O)CH3
  585936.6751  0.0047 -5.0029 3  581.2481920  59516140457 553 1    56 552 1      C-13-H3C(O)CH3
  585936.8305  0.0045 -4.8288 3  581.2478920 -59516140457 553 2    56 552 2      C-13-H3C(O)CH3
  585936.8305  0.0047 -3.4828 3  581.2481920 -59516140457 453 1    56 552 1      C-13-H3C(O)CH3
  585936.8305  0.0047 -3.4828 3  581.2481920 -59516140457 553 1    56 452 1      C-13-H3C(O)CH3
  585936.8305  0.0045 -4.8288 3  581.2478920 -59516140457 453 2    56 452 2      C-13-H3C(O)CH3
  585936.8744  0.0045 -3.4893 3  581.2478920  59516140457 553 2    56 452 2      C-13-H3C(O)CH3
  585936.8744  0.0045 -3.4893 3  581.2478920  59516140457 453 2    56 552 2      C-13-H3C(O)CH3
  585954.0135  0.1821 -5.8799 3  908.8822936  595161404583326 1    573423 1      C-13-H3C(O)CH3
  585965.3075  0.0035 -3.6288 3  581.2596920 -59516140457 553 0    56 452 0      C-13-H3C(O)CH3
  585965.3075  0.0035 -3.6288 3  581.2596920 -59516140457 453 0    56 552 0      C-13-H3C(O)CH3
  585965.4190  0.0035 -3.9834 3  581.2596920  59516140457 553 0    56 552 0      C-13-H3C(O)CH3
  585965.4190  0.0035 -3.9834 3  581.2596920  59516140457 453 0    56 452 0      C-13-H3C(O)CH3
  585991.4916  0.0058 -4.3467 3  183.6285220  595161404271513 4    261214 4      C-13-H3C(O)CH3
  585992.5787  0.0047 -4.3467 3  183.6285220  595161404271513 3    261214 3      C-13-H3C(O)CH3
  586010.8792  0.2830 -5.8794 3  908.8809936  595161404583326 2    573423 2      C-13-H3C(O)CH3
  586013.0592  0.0121 -5.5003 3  121.8549344  5951614042118 4 0    2015 5 0      C-13-H3C(O)CH3
  586016.5036  0.0805 -6.1759 3 1100.7495984  595161404614814 1    604912 1      C-13-H3C(O)CH3
  586023.3254  0.0598 -6.1757 3 1100.7432984  595161404614814 0    604912 0      C-13-H3C(O)CH3
  586023.3254  0.0598 -6.1757 3 1100.7432984  595161404614813 0    604911 0      C-13-H3C(O)CH3
  586074.5739  0.0851 -5.4407 3 1213.6525C72  595161404791069 2    79 970 2      C-13-H3C(O)CH3
  586074.5739  0.0851 -5.4407 3 1213.6525C72  595161404791169 2    791070 2      C-13-H3C(O)CH3
  586075.5038  0.0856 -5.4283 3 1213.6527C72  595161404791069 1    79 970 1      C-13-H3C(O)CH3
  586075.5038  0.0856 -5.4283 3 1213.6527C72  595161404791169 1    791070 1      C-13-H3C(O)CH3
  586098.4151  0.0045 -4.0456 3  183.6326440  595161404271513 2    261214 2      C-13-H3C(O)CH3
  586139.8823  0.0045 -4.0455 3  183.6361440  595161404271513 1    261214 1      C-13-H3C(O)CH3
  586151.8567  0.0739 -5.1965 3  719.7942824  595161404513318 2    503416 2      C-13-H3C(O)CH3
  586184.2979  0.0103 -3.8535 3  254.6821504  595161404311912 2    301813 2      C-13-H3C(O)CH3
  586193.8671  0.0792 -6.1761 3 1100.7424984  595161404614814 2    604912 2      C-13-H3C(O)CH3
  586195.1934  0.0814 -6.1759 3 1100.7717984  595161404614813 1    604911 1      C-13-H3C(O)CH3
  586217.2320  0.0120 -5.5001 3  121.8481344  5951614042118 3 0    2015 6 0      C-13-H3C(O)CH3
  586238.1426  0.0846 -5.7295 3 1213.6318636  595161404791069 3    791070 3      C-13-H3C(O)CH3
  586238.1426  0.0846 -5.7295 3 1213.6318636  595161404791169 3    79 970 3      C-13-H3C(O)CH3
  586238.3095  0.0847 -5.9977 3 1213.6317636  595161404791169 4    791070 4      C-13-H3C(O)CH3
  586238.3095  0.0847 -6.0632 3 1213.6317636  595161404791069 4    791070 4      C-13-H3C(O)CH3
  586238.3095  0.0847 -5.9977 3 1213.6317636  595161404791069 4    79 970 4      C-13-H3C(O)CH3
  586238.3095  0.0847 -6.0632 3 1213.6317636  595161404791169 4    79 970 4      C-13-H3C(O)CH3
  586245.8719  0.0046 -4.0454 3  183.6402440  595161404271513 0    261214 0      C-13-H3C(O)CH3
  586272.4096  0.0897 -5.8143 3  719.7958412  595161404513318 3    503416 3      C-13-H3C(O)CH3
  586288.1428  0.0088 -3.8541 3  254.7024504  595161404311912 0    301813 0      C-13-H3C(O)CH3
  586302.9317  0.0890 -6.1759 3 1100.7764984  595161404614813 2    604911 2      C-13-H3C(O)CH3
  586373.6720  0.0135 -4.1560 3  254.6670252  595161404311912 4    301813 4      C-13-H3C(O)CH3
  586387.9205  0.0131 -4.1561 3  254.6671252  595161404311912 3    301813 3      C-13-H3C(O)CH3
  586415.0049  0.0635 -5.2397 3  719.7795824  595161404513318 1    503416 1      C-13-H3C(O)CH3
  586419.0733  0.0597 -5.3779 3 1166.1639C56  595161404781069 0    78 870 0      C-13-H3C(O)CH3
  586419.0733  0.0597 -5.3779 3 1166.1639C56  59516140478 969 0    78 970 0      C-13-H3C(O)CH3
  586480.7989  0.0101 -3.8556 3  254.6874504  595161404311912 1    301813 1      C-13-H3C(O)CH3
  586546.2478  0.1812 -6.4129 3  750.5022420  595161404523419 4    513516 4      C-13-H3C(O)CH3
  586562.8624  0.0748 -5.4011 3 1166.1374C56  59516140478 969 2    78 870 2      C-13-H3C(O)CH3
  586562.8624  0.0748 -5.4011 3 1166.1374C56  595161404781069 2    78 970 2      C-13-H3C(O)CH3
  586563.8218  0.0769 -5.6115 3 1166.1376C56  59516140478 969 1    78 970 1      C-13-H3C(O)CH3
  586563.8218  0.0769 -5.7440 3 1166.1376C56  59516140478 969 1    78 870 1      C-13-H3C(O)CH3
  586563.8218  0.0769 -5.7440 3 1166.1376C56  595161404781069 1    78 970 1      C-13-H3C(O)CH3
  586563.8218  0.0769 -5.6115 3 1166.1376C56  595161404781069 1    78 870 1      C-13-H3C(O)CH3
  586598.9669  0.0750 -5.4689 3  719.7849412  595161404513318 3    503417 3      C-13-H3C(O)CH3
  586707.7127  0.0760 -5.9726 3 1166.1111628  59516140478 969 3    78 970 3      C-13-H3C(O)CH3
  586707.7127  0.0760 -5.9742 3 1166.1111628  595161404781069 3    78 970 3      C-13-H3C(O)CH3
  586707.7127  0.0760 -5.9742 3 1166.1111628  59516140478 969 3    78 870 3      C-13-H3C(O)CH3
  586707.7127  0.0760 -5.9726 3 1166.1111628  595161404781069 3    78 870 3      C-13-H3C(O)CH3
  586707.7825  0.0760 -6.1753 3 1166.1110628  59516140478 969 4    78 970 4      C-13-H3C(O)CH3
  586707.7825  0.0760 -6.1753 3 1166.1110628  595161404781069 4    78 870 4      C-13-H3C(O)CH3
  586707.7825  0.0760 -5.8361 3 1166.1110628  595161404781069 4    78 970 4      C-13-H3C(O)CH3
  586707.7825  0.0760 -5.8361 3 1166.1110628  59516140478 969 4    78 870 4      C-13-H3C(O)CH3
  586713.8157  0.0386 -5.2828 3  679.9514404  595161404503021 4    493118 4      C-13-H3C(O)CH3
  586726.0534  0.0039 -3.7610 3  545.9834808 -595161404501338 0    491237 0      C-13-H3C(O)CH3
  586726.0534  0.0039 -3.9999 3  545.9834808 -595161404501238 0    491237 0      C-13-H3C(O)CH3
  586726.0534  0.0039 -3.7610 3  545.9834808 -595161404501238 0    491337 0      C-13-H3C(O)CH3
  586726.0534  0.0039 -3.9999 3  545.9834808 -595161404501338 0    491337 0      C-13-H3C(O)CH3
  586731.1745  0.0067 -5.8448 3  545.9543808 -595161404501338 1    491237 1      C-13-H3C(O)CH3
  586731.1745  0.0067 -3.5654 3  545.9543808 -595161404501338 1    491337 1      C-13-H3C(O)CH3
  586731.1745  0.0067 -5.8448 3  545.9543808 -595161404501238 1    491337 1      C-13-H3C(O)CH3
  586731.1745  0.0067 -3.5654 3  545.9543808 -595161404501238 1    491237 1      C-13-H3C(O)CH3
  586732.7035  0.0067 -3.9424 3  545.9537808 -595161404501238 2    491337 2      C-13-H3C(O)CH3
  586732.7035  0.0067 -3.7979 3  545.9537808 -595161404501338 2    491337 2      C-13-H3C(O)CH3
  586732.7035  0.0067 -3.7979 3  545.9537808 -595161404501238 2    491237 2      C-13-H3C(O)CH3
  586732.7035  0.0067 -3.9424 3  545.9537808 -595161404501338 2    491237 2      C-13-H3C(O)CH3
  586737.7572  0.0054 -3.9130 3  545.9245404 -595161404501338 3    491237 3      C-13-H3C(O)CH3
  586737.7572  0.0054 -3.8778 3  545.9245404 -595161404501238 4    491237 4      C-13-H3C(O)CH3
  586737.7572  0.0054 -5.3726 3  545.9245404 -595161404501238 4    491337 4      C-13-H3C(O)CH3
  586737.7572  0.0054 -5.3726 3  545.9245404 -595161404501338 4    491237 4      C-13-H3C(O)CH3
  586737.7572  0.0054 -3.8778 3  545.9245404 -595161404501338 4    491337 4      C-13-H3C(O)CH3
  586737.7572  0.0054 -3.8994 3  545.9245404 -595161404501238 3    491337 3      C-13-H3C(O)CH3
  586737.7572  0.0054 -4.9711 3  545.9245404 -595161404501238 3    491237 3      C-13-H3C(O)CH3
  586737.7572  0.0054 -4.8369 3  545.9245404 -595161404501338 3    491337 3      C-13-H3C(O)CH3
  586739.1279  0.0093 -6.4087 3  292.0371568  595161404351322 2    351025 2      C-13-H3C(O)CH3
  586739.1289  0.0093 -6.4086 3  292.0371568  595161404351422 2    351125 2      C-13-H3C(O)CH3
  586755.9082  0.0892 -5.1045 3  631.8093388  595161404483018 3    473117 3      C-13-H3C(O)CH3
  586761.3785  0.0094 -6.4062 3  292.0383568  595161404351322 1    351025 1      C-13-H3C(O)CH3
  586761.3794  0.0094 -6.4062 3  292.0383568  595161404351422 1    351125 1      C-13-H3C(O)CH3
  586765.7659  0.2652 -6.1739 3  908.8609468  595161404583326 4    573423 4      C-13-H3C(O)CH3
  586782.3798  0.2695 -6.1738 3  908.8604468  595161404583326 3    573423 3      C-13-H3C(O)CH3
  586890.6879  0.0233 -5.2754 3  679.9461404  595161404503021 3    493118 3      C-13-H3C(O)CH3
  586893.0327  0.0284 -4.9788 3  679.9508808  595161404503021 2    493118 2      C-13-H3C(O)CH3
  586902.9705  0.0083 -6.4070 3  292.0569568  595161404351322 0    351025 0      C-13-H3C(O)CH3
  586902.9714  0.0083 -6.4069 3  292.0569568  595161404351422 0    351125 0      C-13-H3C(O)CH3
  586936.3829  0.0530 -5.3317 3 1119.2325C40  59516140477 969 0    77 770 0      C-13-H3C(O)CH3
  586936.3829  0.0530 -5.3317 3 1119.2325C40  59516140477 869 0    77 870 0      C-13-H3C(O)CH3
  586943.9843  0.0206 -4.9791 3  679.9513808  595161404503021 1    493118 1      C-13-H3C(O)CH3
  586968.9837  0.1172 -6.3909 3  833.8276872  595161404543915 1    543618 1      C-13-H3C(O)CH3
  586973.3607  0.1117 -6.3744 3  833.7891872  595161404543915 0    543618 0      C-13-H3C(O)CH3
  586994.4666  0.0954 -6.3853 3  833.8377872  595161404543915 2    543618 2      C-13-H3C(O)CH3
  587031.1697  0.0179 -4.9799 3  679.9535808  595161404503021 0    493118 0      C-13-H3C(O)CH3
  587044.0895  0.0849 -5.4375 3 1119.2019C40  59516140477 969 2    77 870 2      C-13-H3C(O)CH3
  587044.0895  0.0849 -5.4375 3 1119.2019C40  59516140477 869 2    77 770 2      C-13-H3C(O)CH3
  587044.0895  0.0849 -5.9557 3 1119.2019C40  59516140477 869 2    77 870 2      C-13-H3C(O)CH3
  587044.0895  0.0849 -5.9557 3 1119.2019C40  59516140477 969 2    77 770 2      C-13-H3C(O)CH3
  587044.5903  0.0872 -5.3406 3 1119.2020C40  59516140477 969 1    77 770 1      C-13-H3C(O)CH3
  587044.5903  0.0872 -5.3406 3 1119.2020C40  59516140477 869 1    77 870 1      C-13-H3C(O)CH3
  587046.1305  0.0032 -3.7617 3  585.6315468  59516140458 455 4    57 454 4      C-13-H3C(O)CH3
  587046.1305  0.0032 -6.2015 3  585.6315468  59516140458 455 4    57 354 4      C-13-H3C(O)CH3
  587046.1305  0.0032 -3.7617 3  585.6315468  59516140458 355 4    57 354 4      C-13-H3C(O)CH3
  587046.1305  0.0032 -6.2015 3  585.6315468  59516140458 355 4    57 454 4      C-13-H3C(O)CH3
  587046.1457  0.0032 -3.9548 3  585.6314468  59516140458 355 3    57 454 3      C-13-H3C(O)CH3
  587046.1457  0.0032 -4.2023 3  585.6314468  59516140458 355 3    57 354 3      C-13-H3C(O)CH3
  587046.1457  0.0032 -3.9548 3  585.6314468  59516140458 455 3    57 354 3      C-13-H3C(O)CH3
  587046.1457  0.0032 -4.2023 3  585.6314468  59516140458 455 3    57 454 3      C-13-H3C(O)CH3
  587075.2746  0.0048 -3.5319 3  585.6325936  59516140458 455 1    57 454 1      C-13-H3C(O)CH3
  587075.2746  0.0048 -4.2707 3  585.6325936  59516140458 355 1    57 454 1      C-13-H3C(O)CH3
  587075.3412  0.0048 -3.5319 3  585.6325936 -59516140458 355 1    57 354 1      C-13-H3C(O)CH3
  587075.3412  0.0047 -3.5424 3  585.6321936 -59516140458 355 2    57 354 2      C-13-H3C(O)CH3
  587075.3412  0.0047 -4.2173 3  585.6321936 -59516140458 455 2    57 354 2      C-13-H3C(O)CH3
  587075.3412  0.0048 -4.2707 3  585.6325936 -59516140458 455 1    57 354 1      C-13-H3C(O)CH3
  587075.3577  0.0047 -3.5424 3  585.6321936  59516140458 455 2    57 454 2      C-13-H3C(O)CH3
  587075.3577  0.0047 -4.2173 3  585.6321936  59516140458 355 2    57 454 2      C-13-H3C(O)CH3
  587104.4425  0.0036 -3.6609 3  585.6332936 -59516140458 455 0    57 454 0      C-13-H3C(O)CH3
  587104.4425  0.0036 -3.8889 3  585.6332936 -59516140458 355 0    57 454 0      C-13-H3C(O)CH3
  587104.4425  0.0036 -3.8889 3  585.6332936 -59516140458 455 0    57 354 0      C-13-H3C(O)CH3
  587104.4425  0.0036 -3.6609 3  585.6332936 -59516140458 355 0    57 354 0      C-13-H3C(O)CH3
  587110.3756  0.0539 -5.0059 3  719.7421824  595161404513318 0    503417 0      C-13-H3C(O)CH3
  587152.2848  0.0689 -5.6459 3 1119.1714620  59516140477 869 4    77 870 4      C-13-H3C(O)CH3
  587152.2848  0.0689 -5.6459 3 1119.1714620  59516140477 969 4    77 770 4      C-13-H3C(O)CH3
  587152.3581  0.0688 -5.9518 3 1119.1714620  59516140477 969 3    77 770 3      C-13-H3C(O)CH3
  587152.3581  0.0688 -5.8983 3 1119.1714620  59516140477 969 3    77 870 3      C-13-H3C(O)CH3
  587152.3581  0.0688 -5.8983 3 1119.1714620  59516140477 869 3    77 770 3      C-13-H3C(O)CH3
  587152.3581  0.0688 -5.9518 3 1119.1714620  59516140477 869 3    77 870 3      C-13-H3C(O)CH3
  587165.6742  0.0107 -3.7386 3  329.2976568  595161404352214 1    342113 1      C-13-H3C(O)CH3
  587316.2802  0.0145 -4.0389 3  329.2691284  595161404352214 3    342113 3      C-13-H3C(O)CH3
  587330.5715  0.0130 -4.0387 3  329.2685284  595161404352214 4    342113 4      C-13-H3C(O)CH3
  587352.3335  0.0096 -3.7379 3  329.3122568 -595161404352214 0    342113 0      C-13-H3C(O)CH3
  587389.4806  0.1108 -6.3738 3  833.7752872  595161404543916 0    543619 0      C-13-H3C(O)CH3
  587429.4747  0.0649 -5.3871 3  719.7457824  595161404513318 1    503417 1      C-13-H3C(O)CH3
  587451.8885  0.0652 -5.4562 3  719.7508824  595161404513318 2    503417 2      C-13-H3C(O)CH3
  587469.8395  0.0548 -5.4412 3 1072.8791C24  59516140476 869 0    76 670 0      C-13-H3C(O)CH3
  587469.8395  0.0548 -5.7928 3 1072.8791C24  59516140476 769 0    76 670 0      C-13-H3C(O)CH3
  587469.8395  0.0548 -5.9419 3 1072.8791C24  59516140476 869 0    76 770 0      C-13-H3C(O)CH3
  587469.8395  0.0548 -5.3884 3 1072.8791C24  59516140476 769 0    76 770 0      C-13-H3C(O)CH3
  587481.9162  0.0732 -4.8746 3  631.7961776  595161404483018 2    473117 2      C-13-H3C(O)CH3
  587514.7784  0.0113 -3.7371 3  329.2834568  595161404352214 2    342113 2      C-13-H3C(O)CH3
  587519.5500  0.1034 -5.5831 3 1072.8467C24  59516140476 769 1    76 670 1      C-13-H3C(O)CH3
  587519.5500  0.1034 -5.5831 3 1072.8467C24  59516140476 869 1    76 770 1      C-13-H3C(O)CH3
  587519.5500  0.1034 -5.5813 3 1072.8467C24  59516140476 869 1    76 670 1      C-13-H3C(O)CH3
  587519.5500  0.1034 -5.5813 3 1072.8467C24  59516140476 769 1    76 770 1      C-13-H3C(O)CH3
  587519.8915  0.1018 -5.9620 3 1072.8466C24  59516140476 869 2    76 770 2      C-13-H3C(O)CH3
  587519.8915  0.1018 -5.3827 3 1072.8466C24  59516140476 769 2    76 770 2      C-13-H3C(O)CH3
  587519.8915  0.1018 -5.3827 3 1072.8466C24  59516140476 869 2    76 670 2      C-13-H3C(O)CH3
  587519.8915  0.1018 -5.9620 3 1072.8466C24  59516140476 769 2    76 670 2      C-13-H3C(O)CH3
  587569.3542  0.0629 -5.7840 3 1072.8141612  59516140476 869 4    76 770 4      C-13-H3C(O)CH3
  587569.3542  0.0629 -6.0116 3 1072.8141612  59516140476 769 4    76 770 4      C-13-H3C(O)CH3
  587569.3542  0.0629 -5.7840 3 1072.8141612  59516140476 769 4    76 670 4      C-13-H3C(O)CH3
  587569.3542  0.0629 -6.0116 3 1072.8141612  59516140476 869 4    76 670 4      C-13-H3C(O)CH3
  587569.6140  0.0628 -5.6172 3 1072.8141612  59516140476 869 3    76 770 3      C-13-H3C(O)CH3
  587569.6140  0.0628 -5.6172 3 1072.8141612  59516140476 769 3    76 670 3      C-13-H3C(O)CH3
  587572.8211  0.0703 -5.2508 3  631.7849388  595161404483018 4    473117 4      C-13-H3C(O)CH3
  587573.7943  0.1326 -5.7691 3  750.4646840  595161404523419 2    513516 2      C-13-H3C(O)CH3
  587662.7728  0.1111 -6.3920 3  833.7925872  595161404543916 1    543619 1      C-13-H3C(O)CH3
  587672.6441  0.0456 -4.8412 3  631.7942776  595161404483018 1    473117 1      C-13-H3C(O)CH3
  587699.4103  0.1461 -6.3399 3  978.5652968  595161404603526 2    603229 2      C-13-H3C(O)CH3
  587703.7823  0.1379 -6.3398 3  978.5639968  595161404603526 1    603229 1      C-13-H3C(O)CH3
  587769.7029  0.1353 -6.3401 3  978.5544968  595161404603526 0    603229 0      C-13-H3C(O)CH3
  587776.8373  0.0039 -5.0506 3  554.7442824 -595161404511240 0    501239 0      C-13-H3C(O)CH3
  587776.8373  0.0039 -3.5677 3  554.7442824 -595161404511240 0    501139 0      C-13-H3C(O)CH3
  587776.8373  0.0039 -5.0506 3  554.7442824 -595161404511140 0    501139 0      C-13-H3C(O)CH3
  587776.8373  0.0039 -3.5677 3  554.7442824 -595161404511140 0    501239 0      C-13-H3C(O)CH3
  587778.3303  0.0070 -3.6944 3  554.7145824 -595161404511240 1    501239 1      C-13-H3C(O)CH3
  587778.3303  0.0070 -3.9068 3  554.7145824 -595161404511140 1    501139 1      C-13-H3C(O)CH3
  587778.3303  0.0070 -4.1112 3  554.7145824 -595161404511140 1    501239 1      C-13-H3C(O)CH3
  587778.3303  0.0070 -3.8081 3  554.7145824 -595161404511240 1    501139 1      C-13-H3C(O)CH3
  587779.5617  0.0069 -3.5760 3  554.7140824 -595161404511240 2    501239 2      C-13-H3C(O)CH3
  587779.5617  0.0069 -3.7115 3  554.7140824 -595161404511240 2    501139 2      C-13-H3C(O)CH3
  587779.5617  0.0069 -4.8534 3  554.7140824 -595161404511140 2    501239 2      C-13-H3C(O)CH3
  587779.5617  0.0069 -4.0697 3  554.7140824 -595161404511140 2    501139 2      C-13-H3C(O)CH3
  587780.7840  0.0052 -4.0765 3  554.6842412  595161404511240 4    501239 4      C-13-H3C(O)CH3
  587780.7840  0.0052 -4.2525 3  554.6842412  595161404511240 4    501139 4      C-13-H3C(O)CH3
  587780.7840  0.0052 -4.2525 3  554.6842412  595161404511140 4    501239 4      C-13-H3C(O)CH3
  587780.7840  0.0052 -4.0765 3  554.6842412  595161404511140 4    501139 4      C-13-H3C(O)CH3
  587780.8243  0.0052 -3.8703 3  554.6843412  595161404511240 3    501139 3      C-13-H3C(O)CH3
  587780.8243  0.0052 -5.3052 3  554.6843412  595161404511140 3    501139 3      C-13-H3C(O)CH3
  587780.8243  0.0052 -3.8703 3  554.6843412  595161404511140 3    501239 3      C-13-H3C(O)CH3
  587780.8243  0.0052 -5.3052 3  554.6843412  595161404511240 3    501239 3      C-13-H3C(O)CH3
  587900.4837  0.0486 -4.7924 3  631.7964776  595161404483018 0    473117 0      C-13-H3C(O)CH3
  587918.1126  0.1134 -6.3874 3  833.7953872  595161404543916 2    543619 2      C-13-H3C(O)CH3
  587928.1836  0.0429 -6.4142 3  671.8251776  595161404483711 2    483414 2      C-13-H3C(O)CH3
  587938.4701  0.0948 -5.6611 3  750.4504840  595161404523419 1    513516 1      C-13-H3C(O)CH3
  587956.2287  0.0575 -5.8054 3 1027.0407604  59516140475 669 4    75 670 4      C-13-H3C(O)CH3
  587956.2287  0.0575 -5.8054 3 1027.0407604  59516140475 769 4    75 570 4      C-13-H3C(O)CH3
  587956.2287  0.0575 -5.9043 3 1027.0407604  59516140475 669 4    75 570 4      C-13-H3C(O)CH3
  587956.2287  0.0575 -5.9043 3 1027.0407604  59516140475 769 4    75 670 4      C-13-H3C(O)CH3
  587956.7003  0.0575 -5.6166 3 1027.0407604  59516140475 769 3    75 570 3      C-13-H3C(O)CH3
  587956.7003  0.0575 -5.6166 3 1027.0407604  59516140475 669 3    75 670 3      C-13-H3C(O)CH3
  587956.7003  0.0575 -6.4044 3 1027.0407604  59516140475 669 3    75 570 3      C-13-H3C(O)CH3
  587956.7003  0.0575 -6.4044 3 1027.0407604  59516140475 769 3    75 670 3      C-13-H3C(O)CH3
  587968.5427  0.0063 -4.6076 3  140.3284204  59516140425 916 4    24 817 4      C-13-H3C(O)CH3
  587968.6112  0.0063 -4.6076 3  140.3284204  595161404251016 4    24 717 4      C-13-H3C(O)CH3
  587968.6677  0.0048 -4.6076 3  140.3284204  59516140425 916 3    24 817 3      C-13-H3C(O)CH3
  587968.7368  0.0048 -4.6076 3  140.3284204  595161404251016 3    24 717 3      C-13-H3C(O)CH3
  587990.6376  0.1140 -5.2634 3 1027.0721C08  59516140475 669 1    75 570 1      C-13-H3C(O)CH3
  587990.6376  0.1140 -5.2634 3 1027.0721C08  59516140475 769 1    75 670 1      C-13-H3C(O)CH3
  587992.0109  0.1133 -6.3264 3 1027.0719C08  59516140475 669 2    75 570 2      C-13-H3C(O)CH3
  587992.0109  0.1133 -5.2880 3 1027.0719C08  59516140475 669 2    75 670 2      C-13-H3C(O)CH3
  587992.0109  0.1133 -6.3264 3 1027.0719C08  59516140475 769 2    75 670 2      C-13-H3C(O)CH3
  587992.0109  0.1133 -5.2880 3 1027.0719C08  59516140475 769 2    75 570 2      C-13-H3C(O)CH3
  588025.8957  0.0584 -5.8962 3 1027.1033C08  59516140475 669 0    75 670 0      C-13-H3C(O)CH3
  588025.8957  0.0584 -5.3612 3 1027.1033C08  59516140475 669 0    75 570 0      C-13-H3C(O)CH3
  588025.8957  0.0584 -5.8962 3 1027.1033C08  59516140475 769 0    75 570 0      C-13-H3C(O)CH3
  588025.8957  0.0584 -5.3612 3 1027.1033C08  59516140475 769 0    75 670 0      C-13-H3C(O)CH3
  588048.0859  0.0129 -6.0993 3  501.0101712  595161404442123 0    441826 0      C-13-H3C(O)CH3
  588051.1763  0.0129 -6.0993 3  501.0101712  595161404442223 0    441926 0      C-13-H3C(O)CH3
  588068.3490  0.0888 -5.9700 3  719.7521412  595161404513318 4    503417 4      C-13-H3C(O)CH3
  588128.3363  0.0164 -6.0995 3  500.9842712  595161404442123 2    441826 2      C-13-H3C(O)CH3
  588131.6704  0.0164 -6.0994 3  500.9842712  595161404442223 2    441926 2      C-13-H3C(O)CH3
  588154.1504  0.0139 -6.0982 3  500.9858712  595161404442123 1    441826 1      C-13-H3C(O)CH3
  588157.3889  0.0139 -6.0982 3  500.9858712  595161404442223 1    441926 1      C-13-H3C(O)CH3
  588160.1575  0.1058 -5.6365 3  750.4717420  595161404523419 3    513516 3      C-13-H3C(O)CH3
  588177.3651  0.2516 -6.3597 3 1809.1562E64  595161404912170 1    912171 1      C-13-H3C(O)CH3
  588177.3651  0.2516 -6.3597 3 1809.1562E64  595161404912270 1    912071 1      C-13-H3C(O)CH3
  588190.0607  0.2429 -6.3878 3 1809.1591E64  595161404912170 2    912071 2      C-13-H3C(O)CH3
  588193.8953  0.0034 -4.3146 3  589.4931476  59516140459 257 3    58 356 3      C-13-H3C(O)CH3
  588193.8953  0.0034 -3.8867 3  589.4931476  59516140459 357 3    58 356 3      C-13-H3C(O)CH3
  588193.9005  0.0034 -3.7646 3  589.4931476  59516140459 357 4    58 256 4      C-13-H3C(O)CH3
  588193.9005  0.0034 -5.1992 3  589.4931476  59516140459 257 4    58 256 4      C-13-H3C(O)CH3
  588193.9441  0.0034 -4.6455 3  589.4931476 -59516140459 357 3    58 256 3      C-13-H3C(O)CH3
  588193.9441  0.0034 -3.8079 3  589.4931476 -59516140459 257 3    58 256 3      C-13-H3C(O)CH3
  588193.9441  0.0034 -3.7646 3  589.4931476 -59516140459 257 4    58 356 4      C-13-H3C(O)CH3
  588193.9441  0.0034 -5.1992 3  589.4931476 -59516140459 357 4    58 356 4      C-13-H3C(O)CH3
  588215.2980  0.2415 -6.3756 3 1809.1352E64  595161404912170 0    912071 0      C-13-H3C(O)CH3
  588220.2715  0.0051 -6.3306 3  589.4790952 -59516140459 357 1    58 256 1      C-13-H3C(O)CH3
  588220.2715  0.0050 -6.0714 3  589.4786952 -59516140459 257 2    58 256 2      C-13-H3C(O)CH3
  588220.2715  0.0050 -3.4489 3  589.4786952 -59516140459 257 2    58 356 2      C-13-H3C(O)CH3
  588220.2715  0.0051 -6.3306 3  589.4790952 -59516140459 257 1    58 356 1      C-13-H3C(O)CH3
  588220.2715  0.0051 -3.4484 3  589.4790952 -59516140459 257 1    58 256 1      C-13-H3C(O)CH3
  588220.2715  0.0050 -3.4489 3  589.4786952 -59516140459 357 2    58 256 2      C-13-H3C(O)CH3
  588220.2715  0.0051 -3.4484 3  589.4790952 -59516140459 357 1    58 356 1      C-13-H3C(O)CH3
  588220.2715  0.0050 -6.0714 3  589.4786952 -59516140459 357 2    58 356 2      C-13-H3C(O)CH3
  588221.9886  0.0036 -5.6992 3  295.4696536  595161404332211 1    322111 1      C-13-H3C(O)CH3
  588234.6286  0.0171 -6.3993 3  500.9599356  595161404442123 3    441826 3      C-13-H3C(O)CH3
  588234.7662  0.0171 -6.3993 3  500.9598356  595161404442123 4    441826 4      C-13-H3C(O)CH3
  588238.1239  0.0170 -6.3993 3  500.9599356  595161404442223 3    441926 3      C-13-H3C(O)CH3
  588238.2476  0.0171 -6.3993 3  500.9598356  595161404442223 4    441926 4      C-13-H3C(O)CH3
  588246.5871  0.0037 -3.5380 3  589.4645952 -59516140459 257 0    58 356 0      C-13-H3C(O)CH3
  588246.5871  0.0037 -3.5380 3  589.4645952 -59516140459 357 0    58 256 0      C-13-H3C(O)CH3
  588246.6248  0.0037 -4.1746 3  589.4645952  59516140459 357 0    58 356 0      C-13-H3C(O)CH3
  588246.6248  0.0037 -4.1746 3  589.4645952  59516140459 257 0    58 256 0      C-13-H3C(O)CH3
  588251.9904  0.0047 -5.5147 3  295.4487268  595161404332211 3    322111 3      C-13-H3C(O)CH3
  588258.0660  0.0046 -4.3059 3  140.3146408  59516140425 916 2    24 817 2      C-13-H3C(O)CH3
  588258.1373  0.0046 -4.3059 3  140.3146408  595161404251016 2    24 717 2      C-13-H3C(O)CH3
  588276.3075  0.0046 -4.3060 3  140.3159408  59516140425 916 1    24 817 1      C-13-H3C(O)CH3
  588276.3751  0.0046 -4.3060 3  140.3159408  595161404251016 1    24 717 1      C-13-H3C(O)CH3
  588295.2038  0.1089 -5.8589 3  603.9582380  595161404472918 4    463016 4      C-13-H3C(O)CH3
  588305.7067  0.0055 -3.4376 3  277.9476244  5951614043028 3 4    2927 2 4      C-13-H3C(O)CH3
  588309.8619  0.0529 -5.5803 3  981.8525596  59516140474 569 4    74 470 4      C-13-H3C(O)CH3
  588309.8619  0.0529 -5.5803 3  981.8525596  59516140474 669 4    74 570 4      C-13-H3C(O)CH3
  588310.5256  0.0528 -5.5386 3  981.8525596  59516140474 569 3    74 570 3      C-13-H3C(O)CH3
  588310.5256  0.0528 -5.5386 3  981.8525596  59516140474 669 3    74 470 3      C-13-H3C(O)CH3
  588335.4236  0.0039 -5.9223 3  295.4679536  595161404332211 2    322111 2      C-13-H3C(O)CH3
  588385.3035  0.0044 -3.1365 3  278.0142488 -5951614043028 2 2    2927 2 2      C-13-H3C(O)CH3
  588404.0773  0.0692 -5.7236 3  750.4636420  595161404523419 3    513517 3      C-13-H3C(O)CH3
  588415.4892  0.0046 -3.1364 3  277.9965488 -5951614043028 3 1    2927 3 1      C-13-H3C(O)CH3
  588459.9936  0.1125 -5.5259 3  981.8786B92  59516140474 669 1    74 570 1      C-13-H3C(O)CH3
  588459.9936  0.1125 -5.5408 3  981.8786B92  59516140474 669 1    74 470 1      C-13-H3C(O)CH3
  588459.9936  0.1125 -5.5259 3  981.8786B92  59516140474 569 1    74 470 1      C-13-H3C(O)CH3
  588459.9936  0.1125 -5.5408 3  981.8786B92  59516140474 569 1    74 570 1      C-13-H3C(O)CH3
  588462.2897  0.1122 -5.4310 3  981.8783B92  59516140474 569 2    74 570 2      C-13-H3C(O)CH3
  588462.2897  0.1122 -5.6671 3  981.8783B92  59516140474 569 2    74 470 2      C-13-H3C(O)CH3
  588462.2897  0.1122 -5.6671 3  981.8783B92  59516140474 669 2    74 570 2      C-13-H3C(O)CH3
  588462.2897  0.1122 -5.4310 3  981.8783B92  59516140474 669 2    74 470 2      C-13-H3C(O)CH3
  588467.9861  0.0145 -4.6460 3  192.4556220  595161404271810 4    261511 4      C-13-H3C(O)CH3
  588495.7804  0.0043 -3.1363 3  278.0631488 -5951614043028 3 0    2927 2 0      C-13-H3C(O)CH3
  588495.7804  0.0043 -3.1363 3  278.0631488 -5951614043028 2 0    2927 3 0      C-13-H3C(O)CH3
  588520.6232  0.0055 -3.4372 3  277.9356244  5951614043028 3 3    2927 3 3      C-13-H3C(O)CH3
  588565.1006  0.0046 -4.3053 3  140.3022408  59516140425 916 0    24 817 0      C-13-H3C(O)CH3
  588565.1704  0.0046 -4.3053 3  140.3022408  595161404251016 0    24 717 0      C-13-H3C(O)CH3
  588566.2295  0.0054 -3.4371 3  277.9544244  5951614043028 2 3    2927 2 3      C-13-H3C(O)CH3
  588600.4919  0.0043 -3.1361 3  278.0021488 -5951614043028 3 2    2927 3 2      C-13-H3C(O)CH3
  588611.6052  0.0584 -5.2457 3  981.9043B92  59516140474 569 0    74 570 0      C-13-H3C(O)CH3
  588611.6052  0.0584 -5.2457 3  981.9043B92  59516140474 669 0    74 470 0      C-13-H3C(O)CH3
  588616.6787  0.0831 -5.4183 3  750.4331420  595161404523419 4    513517 4      C-13-H3C(O)CH3
  588617.4092  0.0127 -4.6356 3  192.4550220  595161404271810 3    261511 3      C-13-H3C(O)CH3
  588626.9514  0.0507 -5.7724 3  937.2513588  59516140473 569 4    73 470 4      C-13-H3C(O)CH3
  588626.9514  0.0507 -5.9103 3  937.2513588  59516140473 469 4    73 470 4      C-13-H3C(O)CH3
  588626.9514  0.0507 -5.7724 3  937.2513588  59516140473 469 4    73 370 4      C-13-H3C(O)CH3
  588626.9514  0.0507 -5.9103 3  937.2513588  59516140473 569 4    73 370 4      C-13-H3C(O)CH3
  588627.7002  0.0505 -5.5462 3  937.2512588  59516140473 569 3    73 470 3      C-13-H3C(O)CH3
  588627.7002  0.0505 -5.5462 3  937.2512588  59516140473 469 3    73 370 3      C-13-H3C(O)CH3
  588663.4991  0.0576 -5.0758 3  750.4139840  595161404523419 0    513516 0      C-13-H3C(O)CH3
  588676.2156  0.0044 -3.1360 3  278.0032488 -5951614043028 2 1    2927 2 1      C-13-H3C(O)CH3
  588723.9469  0.0119 -4.3390 3  192.4644440  595161404271810 1    261511 1      C-13-H3C(O)CH3
  588727.6660  0.0678 -5.1738 3  750.4261840  595161404523419 2    513517 2      C-13-H3C(O)CH3
  588731.5618  0.0569 -5.9987 3 1053.8199968  595161404604615 0    594712 0      C-13-H3C(O)CH3
  588731.5619  0.0569 -5.9987 3 1053.8199968  595161404604614 0    594713 0      C-13-H3C(O)CH3
  588780.5738  0.0060 -3.4368 3  277.9422244  5951614043028 2 4    2927 3 4      C-13-H3C(O)CH3
  588821.8916  0.2710 -6.2653 3 1754.7243E48  595161404902170 1    902071 1      C-13-H3C(O)CH3
  588821.8916  0.2710 -6.2653 3 1754.7243E48  595161404902070 1    901971 1      C-13-H3C(O)CH3
  588822.2918  0.0708 -5.9988 3 1053.8322968  595161404604615 1    594713 1      C-13-H3C(O)CH3
  588834.7989  0.2621 -6.3750 3 1754.7265E48  595161404902170 2    901971 2      C-13-H3C(O)CH3
  588834.7989  0.2621 -6.3750 3 1754.7265E48  595161404902070 2    902071 2      C-13-H3C(O)CH3
  588843.6163  0.0050 -4.0141 3  562.8957420  595161404521142 4    511141 4      C-13-H3C(O)CH3
  588843.6163  0.0050 -4.3378 3  562.8957420  595161404521042 4    511141 4      C-13-H3C(O)CH3
  588843.6163  0.0050 -4.3378 3  562.8957420  595161404521142 4    511041 4      C-13-H3C(O)CH3
  588843.6163  0.0050 -4.0141 3  562.8957420  595161404521042 4    511041 4      C-13-H3C(O)CH3
  588843.6631  0.0050 -4.5052 3  562.8957420  595161404521142 3    511141 3      C-13-H3C(O)CH3
  588843.6631  0.0050 -4.5052 3  562.8957420  595161404521042 3    511041 3      C-13-H3C(O)CH3
  588843.6631  0.0050 -3.9527 3  562.8957420  595161404521142 3    511041 3      C-13-H3C(O)CH3
  588843.6631  0.0050 -3.9527 3  562.8957420  595161404521042 3    511141 3      C-13-H3C(O)CH3
  588845.5332  0.0072 -4.1234 3  562.9262840  595161404521142 1    511141 1      C-13-H3C(O)CH3
  588845.5332  0.0072 -3.6773 3  562.9262840  595161404521142 1    511041 1      C-13-H3C(O)CH3
  588845.5332  0.0072 -4.1234 3  562.9262840  595161404521042 1    511041 1      C-13-H3C(O)CH3
  588845.5332  0.0072 -3.6773 3  562.9262840  595161404521042 1    511141 1      C-13-H3C(O)CH3
  588846.4523  0.0072 -3.8763 3  562.9258840  595161404521042 2    511141 2      C-13-H3C(O)CH3
  588846.4523  0.0072 -3.8167 3  562.9258840  595161404521042 2    511041 2      C-13-H3C(O)CH3
  588846.4523  0.0072 -3.8167 3  562.9258840  595161404521142 2    511141 2      C-13-H3C(O)CH3
  588846.4523  0.0072 -3.8763 3  562.9258840  595161404521142 2    511041 2      C-13-H3C(O)CH3
  588848.3308  0.0040 -3.6046 3  562.9562840  595161404521142 0    511141 0      C-13-H3C(O)CH3
  588848.3308  0.0040 -4.4329 3  562.9562840  595161404521142 0    511041 0      C-13-H3C(O)CH3
  588848.3308  0.0040 -3.6046 3  562.9562840  595161404521042 0    511041 0      C-13-H3C(O)CH3
  588848.3308  0.0040 -4.4329 3  562.9562840  595161404521042 0    511141 0      C-13-H3C(O)CH3
  588858.3937  0.0571 -5.2063 3  750.4197840  595161404523419 1    513517 1      C-13-H3C(O)CH3
  588903.9836  0.0565 -5.5890 3  893.2385580  59516140472 469 4    72 270 4      C-13-H3C(O)CH3
  588903.9836  0.0565 -5.5890 3  893.2385580  59516140472 369 4    72 370 4      C-13-H3C(O)CH3
  588904.5573  0.0561 -5.5828 3  893.2385580  59516140472 469 3    72 270 3      C-13-H3C(O)CH3
  588904.5573  0.0561 -5.5828 3  893.2385580  59516140472 369 3    72 370 3      C-13-H3C(O)CH3
  588929.9675  0.0971 -5.2770 3  937.2666B76  59516140473 569 1    73 370 1      C-13-H3C(O)CH3
  588929.9675  0.0971 -6.2530 3  937.2666B76  59516140473 569 1    73 470 1      C-13-H3C(O)CH3
  588929.9675  0.0971 -5.2770 3  937.2666B76  59516140473 469 1    73 470 1      C-13-H3C(O)CH3
  588929.9675  0.0971 -6.2530 3  937.2666B76  59516140473 469 1    73 370 1      C-13-H3C(O)CH3
  588932.6601  0.0960 -5.2379 3  937.2662B76  59516140473 469 2    73 470 2      C-13-H3C(O)CH3
  588932.6601  0.0960 -5.2379 3  937.2662B76  59516140473 569 2    73 370 2      C-13-H3C(O)CH3
  588934.7542  0.0684 -5.9988 3 1053.8520968  595161404604614 1    594712 1      C-13-H3C(O)CH3
  588940.7215  0.0585 -6.3774 3  750.4646824  595161404513813 2    513516 2      C-13-H3C(O)CH3
  588974.3939  0.0769 -5.9988 3 1053.8605968  595161404604614 2    594712 2      C-13-H3C(O)CH3
  588984.7377  0.0673 -5.9989 3 1053.8292968  595161404604615 2    594713 2      C-13-H3C(O)CH3
  588989.2373  0.0984 -5.9154 3  603.9503760  595161404472918 2    463016 2      C-13-H3C(O)CH3
  589045.8997  0.0673 -6.3774 3  750.4504824  595161404513813 1    513516 1      C-13-H3C(O)CH3
  589065.7340  0.0960 -6.2999 3 1053.8728484  595161404604614 3    594712 3      C-13-H3C(O)CH3
  589077.1747  0.0902 -6.3001 3 1053.8414484  595161404604615 4    594713 4      C-13-H3C(O)CH3
  589137.1877  0.0760 -5.6952 3  849.8160572  59516140471 269 3    71 170 3      C-13-H3C(O)CH3
  589137.1877  0.0760 -5.6952 3  849.8160572  59516140471 369 3    71 270 3      C-13-H3C(O)CH3
  589137.2982  0.0764 -5.7421 3  849.8161572  59516140471 369 4    71 170 4      C-13-H3C(O)CH3
  589137.2982  0.0764 -6.3614 3  849.8161572  59516140471 269 4    71 170 4      C-13-H3C(O)CH3
  589137.2982  0.0764 -5.7421 3  849.8161572  59516140471 269 4    71 270 4      C-13-H3C(O)CH3
  589137.2982  0.0764 -6.3614 3  849.8161572  59516140471 369 4    71 270 4      C-13-H3C(O)CH3
  589174.0039  0.0668 -6.3782 3  750.4139824  595161404513813 0    513516 0      C-13-H3C(O)CH3
  589178.3723  0.1023 -6.2999 3 1053.8927484  595161404604614 4    594712 4      C-13-H3C(O)CH3
  589189.1436  0.0888 -6.3001 3 1053.8613484  595161404604615 3    594713 3      C-13-H3C(O)CH3
  589208.7312  0.0110 -4.3389 3  192.4509440  595161404271810 2    261511 2      C-13-H3C(O)CH3
  589234.5955  0.0536 -5.2823 3  937.2815B76  59516140473 469 0    73 470 0      C-13-H3C(O)CH3
  589234.5955  0.0536 -5.2823 3  937.2815B76  59516140473 569 0    73 370 0      C-13-H3C(O)CH3
  589234.5955  0.0536 -6.2003 3  937.2815B76  59516140473 469 0    73 370 0      C-13-H3C(O)CH3
  589234.5955  0.0536 -6.2003 3  937.2815B76  59516140473 569 0    73 470 0      C-13-H3C(O)CH3
  589244.1849  0.0667 -6.3781 3  750.4115824  595161404513814 0    513517 0      C-13-H3C(O)CH3
  589321.4862  0.1133 -5.8686 3  806.9857564  59516140470 169 3    70 170 3      C-13-H3C(O)CH3
  589321.4862  0.1133 -5.8686 3  806.9857564  59516140470 269 3    70 070 3      C-13-H3C(O)CH3
  589323.1775  0.1134 -5.8602 3  806.9857564  59516140470 169 4    70 170 4      C-13-H3C(O)CH3
  589323.1775  0.1134 -5.8602 3  806.9857564  59516140470 269 4    70 070 4      C-13-H3C(O)CH3
  589352.3259  0.0042 -3.7374 3  592.8231484  59516140460 159 3    59 158 3      C-13-H3C(O)CH3
  589352.3354  0.0042 -3.7395 3  592.8231484 -59516140460 259 4    59 258 4      C-13-H3C(O)CH3
  589352.3354  0.0042 -3.7374 3  592.8231484 -59516140460 259 3    59 258 3      C-13-H3C(O)CH3
  589352.3354  0.0042 -6.0311 3  592.8231484 -59516140460 159 4    59 258 4      C-13-H3C(O)CH3
  589352.3411  0.0042 -6.0311 3  592.8231484  59516140460 259 4    59 158 4      C-13-H3C(O)CH3
  589352.3411  0.0042 -3.7395 3  592.8231484  59516140460 159 4    59 158 4      C-13-H3C(O)CH3
  589370.9657  0.0055 -4.4622 3  592.7874968 -59516140460 259 2    59 158 2      C-13-H3C(O)CH3
  589370.9657  0.0058 -3.6072 3  592.7878968 -59516140460 159 1    59 258 1      C-13-H3C(O)CH3
  589370.9657  0.0058 -3.6072 3  592.7878968 -59516140460 259 1    59 158 1      C-13-H3C(O)CH3
  589370.9657  0.0055 -3.4791 3  592.7874968 -59516140460 159 2    59 158 2      C-13-H3C(O)CH3
  589370.9863  0.0055 -3.4791 3  592.7874968  59516140460 259 2    59 258 2      C-13-H3C(O)CH3
  589370.9863  0.0055 -4.4622 3  592.7874968  59516140460 159 2    59 258 2      C-13-H3C(O)CH3
  589371.0020  0.0058 -3.9236 3  592.7878968  59516140460 259 1    59 258 1      C-13-H3C(O)CH3
  589371.0020  0.0058 -3.9236 3  592.7878968  59516140460 159 1    59 158 1      C-13-H3C(O)CH3
  589382.1014  0.0112 -4.3378 3  192.4602440  595161404271810 0    261511 0      C-13-H3C(O)CH3
  589389.5611  0.0043 -3.6200 3  592.7522968 -59516140460 159 0    59 258 0      C-13-H3C(O)CH3
  589389.5611  0.0043 -3.8980 3  592.7522968 -59516140460 159 0    59 158 0      C-13-H3C(O)CH3
  589389.5611  0.0043 -3.8980 3  592.7522968 -59516140460 259 0    59 258 0      C-13-H3C(O)CH3
  589389.5611  0.0043 -3.6200 3  592.7522968 -59516140460 259 0    59 158 0      C-13-H3C(O)CH3
  589403.1185  0.0795 -5.2721 3  893.2364B60  59516140472 469 1    72 270 1      C-13-H3C(O)CH3
  589403.1185  0.0795 -5.2721 3  893.2364B60  59516140472 369 1    72 370 1      C-13-H3C(O)CH3
  589405.1327  0.0755 -5.3356 3  893.2360B60  59516140472 369 2    72 370 2      C-13-H3C(O)CH3
  589405.1327  0.0755 -6.0790 3  893.2360B60  59516140472 469 2    72 370 2      C-13-H3C(O)CH3
  589405.1327  0.0755 -5.3356 3  893.2360B60  59516140472 469 2    72 270 2      C-13-H3C(O)CH3
  589405.1327  0.0755 -6.0790 3  893.2360B60  59516140472 369 2    72 270 2      C-13-H3C(O)CH3
  589440.3865  0.0694 -6.3785 3  750.4197824  595161404513814 1    513517 1      C-13-H3C(O)CH3
  589449.0505  0.2866 -6.1840 3 1700.8625E32  595161404891970 1    891971 1      C-13-H3C(O)CH3
  589449.0505  0.2866 -6.1840 3 1700.8625E32  595161404892070 1    891871 1      C-13-H3C(O)CH3
  589449.4370  0.2485 -6.1797 3 1700.8405E32  595161404891970 0    891871 0      C-13-H3C(O)CH3
  589449.4370  0.2485 -6.1797 3 1700.8405E32  595161404892070 0    891971 0      C-13-H3C(O)CH3
  589461.5136  0.2786 -6.2449 3 1700.8642E32  595161404891970 2    891871 2      C-13-H3C(O)CH3
  589461.5136  0.2786 -6.2449 3 1700.8642E32  595161404892070 2    891971 2      C-13-H3C(O)CH3
  589465.5246  0.0485 -6.2157 3  603.9429760  595161404472918 1    463016 1      C-13-H3C(O)CH3
  589559.4843  0.3245 -6.3619 3 1112.4868A32  595161404643628 1    633925 1      C-13-H3C(O)CH3
  589608.5131  0.1049 -5.3101 3  684.5568404  595161404503120 4    493217 4      C-13-H3C(O)CH3
  589689.6618  0.0650 -6.3800 3  750.4261824  595161404513814 2    513517 2      C-13-H3C(O)CH3
  589718.9003  0.3730 -6.3610 3 1112.4859A32  595161404643628 2    633925 2      C-13-H3C(O)CH3
  589738.8890  0.0074 -3.6367 3  311.9972552  595161404342213 1    332112 1      C-13-H3C(O)CH3
  589749.5028  0.0598 -5.4167 3  750.5022420  595161404523418 4    513516 4      C-13-H3C(O)CH3
  589802.3308  0.0103 -3.9382 3  311.9733276  595161404342213 3    332112 3      C-13-H3C(O)CH3
  589826.5329  0.0084 -3.9370 3  311.9726276  595161404342213 4    332112 4      C-13-H3C(O)CH3
  589881.7818  0.1050 -5.9661 3  849.7878B44  59516140471 369 2    71 270 2      C-13-H3C(O)CH3
  589881.7818  0.1050 -5.9661 3  849.7878B44  59516140471 269 2    71 170 2      C-13-H3C(O)CH3
  589881.7818  0.1050 -5.4651 3  849.7878B44  59516140471 269 2    71 270 2      C-13-H3C(O)CH3
  589881.7818  0.1050 -5.4651 3  849.7878B44  59516140471 369 2    71 170 2      C-13-H3C(O)CH3
  589882.2139  0.1099 -5.5791 3  849.7882B44  59516140471 269 1    71 170 1      C-13-H3C(O)CH3
  589882.2139  0.1099 -5.7280 3  849.7882B44  59516140471 269 1    71 270 1      C-13-H3C(O)CH3
  589882.2139  0.1099 -5.7280 3  849.7882B44  59516140471 369 1    71 170 1      C-13-H3C(O)CH3
  589882.2139  0.1099 -5.5791 3  849.7882B44  59516140471 369 1    71 270 1      C-13-H3C(O)CH3
  589903.0184  0.0534 -5.3707 3  893.2339B60  59516140472 369 0    72 370 0      C-13-H3C(O)CH3
  589903.0184  0.0534 -5.9195 3  893.2339B60  59516140472 369 0    72 270 0      C-13-H3C(O)CH3
  589903.0184  0.0534 -5.9195 3  893.2339B60  59516140472 469 0    72 370 0      C-13-H3C(O)CH3
  589903.0184  0.0534 -5.3707 3  893.2339B60  59516140472 469 0    72 270 0      C-13-H3C(O)CH3
  589905.9497  0.0063 -3.6356 3  312.0134552 -595161404342213 0    332112 0      C-13-H3C(O)CH3
  589911.5994  0.0043 -3.5216 3  281.7607252  5951614043126 5 4    3025 5 4      C-13-H3C(O)CH3
  589914.9379  0.0631 -5.1720 3  750.4646840  595161404523418 2    513516 2      C-13-H3C(O)CH3
  589919.5777  0.0695 -5.6637 3  853.4325444  595161404553818 4    543916 4      C-13-H3C(O)CH3
  589922.2508  0.0048 -4.0640 3  570.5617428 -59516140453 944 3    521043 3      C-13-H3C(O)CH3
  589922.2508  0.0048 -3.9349 3  570.5617428 -595161404531044 4    52 943 4      C-13-H3C(O)CH3
  589922.2508  0.0048 -4.5290 3  570.5617428 -595161404531044 4    521043 4      C-13-H3C(O)CH3
  589922.2508  0.0048 -3.8435 3  570.5617428 -595161404531044 3    521043 3      C-13-H3C(O)CH3
  589922.2508  0.0048 -5.6254 3  570.5617428 -595161404531044 3    52 943 3      C-13-H3C(O)CH3
  589922.2508  0.0048 -4.5290 3  570.5617428 -59516140453 944 4    52 943 4      C-13-H3C(O)CH3
  589922.2508  0.0048 -3.9349 3  570.5617428 -59516140453 944 4    521043 4      C-13-H3C(O)CH3
  589922.2508  0.0048 -4.2259 3  570.5617428 -59516140453 944 3    52 943 3      C-13-H3C(O)CH3
  589928.8511  0.0073 -5.7184 3  570.5921856  59516140453 944 1    521043 1      C-13-H3C(O)CH3
  589928.8511  0.0073 -3.5383 3  570.5921856  595161404531044 1    521043 1      C-13-H3C(O)CH3
  589928.8511  0.0073 -5.7184 3  570.5921856  595161404531044 1    52 943 1      C-13-H3C(O)CH3
  589928.8511  0.0073 -3.5383 3  570.5921856  59516140453 944 1    52 943 1      C-13-H3C(O)CH3
  589929.6128  0.0072 -3.5615 3  570.5916856  595161404531044 2    52 943 2      C-13-H3C(O)CH3
  589929.6128  0.0072 -3.5615 3  570.5916856  59516140453 944 2    521043 2      C-13-H3C(O)CH3
  589929.6128  0.0072 -4.7690 3  570.5916856  59516140453 944 2    52 943 2      C-13-H3C(O)CH3
  589929.6128  0.0072 -4.7690 3  570.5916856  595161404531044 2    521043 2      C-13-H3C(O)CH3
  589936.1823  0.0040 -3.6945 3  570.6219856 -595161404531044 0    521043 0      C-13-H3C(O)CH3
  589936.1823  0.0040 -4.0489 3  570.6219856 -595161404531044 0    52 943 0      C-13-H3C(O)CH3
  589936.1823  0.0040 -3.6945 3  570.6219856 -59516140453 944 0    52 943 0      C-13-H3C(O)CH3
  589936.1823  0.0040 -4.0489 3  570.6219856 -59516140453 944 0    521043 0      C-13-H3C(O)CH3
  589961.1858  0.0864 -5.7211 3  750.4717420  595161404523418 3    513516 3      C-13-H3C(O)CH3
  589962.8326  0.0688 -5.3627 3  853.4061888  595161404553818 2    543916 2      C-13-H3C(O)CH3
  589984.3943  0.0073 -3.6355 3  311.9892552  595161404342213 2    332112 2      C-13-H3C(O)CH3
  589999.8053  0.0036 -3.2204 3  281.7889504 -5951614043126 5 1    3025 5 1      C-13-H3C(O)CH3
  590010.3826  0.0650 -5.5913 3  928.8899920  595161404574117 0    564214 0      C-13-H3C(O)CH3
  590010.7578  0.0650 -5.5913 3  928.8899920  595161404574116 0    564215 0      C-13-H3C(O)CH3
  590020.0002  0.0630 -5.5913 3  928.9360920  595161404574117 2    564214 2      C-13-H3C(O)CH3
  590022.3189  0.0036 -3.2203 3  281.8064504 -5951614043126 5 2    3025 5 2      C-13-H3C(O)CH3
  590036.6583  0.2481 -6.3898 3 1647.5510E16  595161404881970 0    881871 0      C-13-H3C(O)CH3
  590036.6583  0.2481 -6.1031 3 1647.5510E16  595161404881970 0    881771 0      C-13-H3C(O)CH3
  590059.3181  0.2952 -6.1473 3 1647.5720E16  595161404881970 1    881771 1      C-13-H3C(O)CH3
  590059.3181  0.2952 -6.1473 3 1647.5720E16  595161404881870 1    881871 1      C-13-H3C(O)CH3
  590070.7653  0.2887 -6.2489 3 1647.5732E16  595161404881870 2    881871 2      C-13-H3C(O)CH3
  590070.7653  0.2887 -6.2489 3 1647.5732E16  595161404881970 2    881771 2      C-13-H3C(O)CH3
  590072.1814  0.0041 -3.5215 3  281.7458252  5951614043126 6 3    3025 6 3      C-13-H3C(O)CH3
  590093.5150  0.1721 -6.3903 3 1647.5942708  595161404881970 3    881871 3      C-13-H3C(O)CH3
  590093.5150  0.1721 -6.3903 3 1647.5942708  595161404881870 3    881771 3      C-13-H3C(O)CH3
  590093.9433  0.0674 -5.2042 3  750.4504840  595161404523418 1    513516 1      C-13-H3C(O)CH3
  590102.7419  0.3550 -6.3601 3 1112.4651A32  595161404643628 0    633925 0      C-13-H3C(O)CH3
  590110.2117  0.0742 -5.3628 3  853.3948888  595161404553818 1    543916 1      C-13-H3C(O)CH3
  590110.7602  0.0032 -3.2201 3  281.8345504 -5951614043126 5 0    3025 6 0      C-13-H3C(O)CH3
  590110.7602  0.0032 -3.2201 3  281.8345504 -5951614043126 6 0    3025 5 0      C-13-H3C(O)CH3
  590115.2287  0.0675 -5.5913 3  928.9237920  595161404574117 1    564214 1      C-13-H3C(O)CH3
  590125.1998  0.0664 -5.8923 3  928.9697460  595161404574117 4    564214 4      C-13-H3C(O)CH3
  590137.2548  0.0041 -3.5212 3  281.7509252  5951614043126 5 3    3025 5 3      C-13-H3C(O)CH3
  590143.8128  0.0731 -5.3626 3  853.3684888  595161404553818 0    543915 0      C-13-H3C(O)CH3
  590148.7818  0.0631 -5.6647 3  853.4445444  595161404553818 3    543915 3      C-13-H3C(O)CH3
  590166.7305  0.0732 -5.3626 3  853.3684888  595161404553817 0    543916 0      C-13-H3C(O)CH3
  590182.2690  0.0034 -3.2202 3  281.7915504 -5951614043126 6 2    3025 6 2      C-13-H3C(O)CH3
  590205.1056  0.0823 -5.6327 3  750.4636420  595161404523418 3    513517 3      C-13-H3C(O)CH3
  590217.1907  0.0244 -6.1058 3  663.9341808  595161404502624 0    502327 0      C-13-H3C(O)CH3
  590224.8064  0.0033 -3.2200 3  281.7791504 -5951614043126 6 1    3025 6 1      C-13-H3C(O)CH3
  590232.4114  0.0612 -5.5913 3  928.9206920  595161404574116 1    564215 1      C-13-H3C(O)CH3
  590241.4868  0.0647 -5.8924 3  928.9667460  595161404574116 3    564214 3      C-13-H3C(O)CH3
  590262.7840  0.0382 -6.1056 3  663.9223808  595161404502624 2    502327 2      C-13-H3C(O)CH3
  590266.7183  0.0776 -4.9496 3  684.5361808  595161404503120 2    493217 2      C-13-H3C(O)CH3
  590285.5783  0.0266 -6.1049 3  663.9233808  595161404502624 1    502327 1      C-13-H3C(O)CH3
  590294.3790  0.0517 -5.6648 3  853.4442444  595161404553817 3    543916 3      C-13-H3C(O)CH3
  590296.9151  0.0044 -3.5210 3  281.7361252  5951614043126 6 4    3025 6 4      C-13-H3C(O)CH3
  590297.7306  0.0603 -5.2079 3  684.5360404  595161404503120 3    493217 3      C-13-H3C(O)CH3
  590299.8181  0.0594 -5.5914 3  928.9271920  595161404574116 2    564215 2      C-13-H3C(O)CH3
  590323.6125  0.0066 -4.9144 3  115.7359196  59516140424 718 3    23 419 3      C-13-H3C(O)CH3
  590323.6125  0.0066 -4.9144 3  115.7359196  59516140424 618 3    23 519 3      C-13-H3C(O)CH3
  590323.6385  0.0084 -4.9144 3  115.7359196  59516140424 618 4    23 519 4      C-13-H3C(O)CH3
  590323.6385  0.0084 -4.9144 3  115.7359196  59516140424 718 4    23 419 4      C-13-H3C(O)CH3
  590324.8846  0.0242 -6.1056 3  663.9341808  595161404502724 0    502427 0      C-13-H3C(O)CH3
  590331.1028  0.0398 -6.4058 3  663.9115404  595161404502624 3    502327 3      C-13-H3C(O)CH3
  590331.4940  0.0401 -6.4058 3  663.9115404  595161404502624 4    502327 4      C-13-H3C(O)CH3
  590338.4354  0.0607 -5.3626 3  853.4178888  595161404553817 2    543915 2      C-13-H3C(O)CH3
  590342.4489  0.0713 -5.3626 3  853.4068888  595161404553817 1    543915 1      C-13-H3C(O)CH3
  590364.7301  0.2091 -6.3133 3  806.9221B28  59516140470 269 2    70 070 2      C-13-H3C(O)CH3
  590364.7301  0.2091 -5.6378 3  806.9221B28  59516140470 169 2    70 070 2      C-13-H3C(O)CH3
  590364.7301  0.2091 -6.3133 3  806.9221B28  59516140470 169 2    70 170 2      C-13-H3C(O)CH3
  590364.7301  0.2091 -5.6378 3  806.9221B28  59516140470 269 2    70 170 2      C-13-H3C(O)CH3
  590370.2227  0.2108 -6.2776 3  806.9223B28  59516140470 269 1    70 170 1      C-13-H3C(O)CH3
  590370.2227  0.2108 -5.6480 3  806.9223B28  59516140470 269 1    70 070 1      C-13-H3C(O)CH3
  590370.2227  0.2108 -5.6459 3  806.9223B28  59516140470 169 1    70 170 1      C-13-H3C(O)CH3
  590370.2227  0.2108 -6.2688 3  806.9223B28  59516140470 169 1    70 070 1      C-13-H3C(O)CH3
  590377.2747  0.0372 -6.1054 3  663.9223808  595161404502724 2    502427 2      C-13-H3C(O)CH3
  590385.0231  0.0037 -3.7016 3  474.7461696  595161404432023 0    422122 0      C-13-H3C(O)CH3
  590390.4302  0.0037 -3.7016 3  474.7460696  595161404432123 0    422022 0      C-13-H3C(O)CH3
  590398.7023  0.0267 -6.1048 3  663.9233808  595161404502724 1    502427 1      C-13-H3C(O)CH3
  590402.1000  0.0047 -3.7016 3  474.7230696  595161404432023 1    422122 1      C-13-H3C(O)CH3
  590404.5736  0.0646 -5.8925 3  928.9609460  595161404574117 3    564215 3      C-13-H3C(O)CH3
  590407.7170  0.0047 -3.7016 3  474.7228696  595161404432123 1    422022 1      C-13-H3C(O)CH3
  590413.9051  0.0050 -3.7016 3  474.7201696  595161404432023 2    422122 2      C-13-H3C(O)CH3
  590419.7092  0.0050 -3.7016 3  474.7199696  595161404432123 2    422022 2      C-13-H3C(O)CH3
  590430.9597  0.0053 -4.0026 3  474.6969348  595161404432023 4    422122 4      C-13-H3C(O)CH3
  590430.9816  0.0053 -4.0026 3  474.6969348  595161404432023 3    422122 3      C-13-H3C(O)CH3
  590436.9686  0.0053 -4.0026 3  474.6967348  595161404432123 4    422022 4      C-13-H3C(O)CH3
  590437.0137  0.0053 -4.0026 3  474.6967348  595161404432123 3    422022 3      C-13-H3C(O)CH3
  590451.3982  0.0388 -6.4057 3  663.9115404  595161404502724 3    502427 3      C-13-H3C(O)CH3
  590451.4928  0.0392 -6.4056 3  663.9115404  595161404502724 4    502427 4      C-13-H3C(O)CH3
  590466.7253  0.0206 -4.9863 3  179.2069212  5951614042618 9 4    251510 4      C-13-H3C(O)CH3
  590469.2415  0.0038 -3.6733 3  488.2009712  595161404441925 0    432024 0      C-13-H3C(O)CH3
  590469.3382  0.0038 -3.6733 3  488.2009712  595161404442025 0    431924 0      C-13-H3C(O)CH3
  590488.3519  0.0050 -3.6732 3  488.1772712  595161404441925 1    432024 1      C-13-H3C(O)CH3
  590488.4553  0.0050 -3.6732 3  488.1772712  595161404442025 1    431924 1      C-13-H3C(O)CH3
  590496.4128  0.0052 -3.6732 3  488.1751712  595161404441925 2    432024 2      C-13-H3C(O)CH3
  590496.5200  0.0052 -3.6732 3  488.1751712  595161404442025 2    431924 2      C-13-H3C(O)CH3
  590515.5367  0.0055 -3.9742 3  488.1513356  595161404441925 4    432024 4      C-13-H3C(O)CH3
  590515.5481  0.0056 -3.9742 3  488.1513356  595161404441925 3    432024 3      C-13-H3C(O)CH3
  590515.6506  0.0055 -3.9742 3  488.1513356  595161404442025 4    431924 4      C-13-H3C(O)CH3
  590515.6628  0.0056 -3.9742 3  488.1513356  595161404442025 3    431924 3      C-13-H3C(O)CH3
  590522.7604  0.0714 -5.8923 3  928.9579460  595161404574116 4    564215 4      C-13-H3C(O)CH3
  590522.9598  0.0067 -3.8234 3  595.6234492  59516140461 161 4    60 160 4      C-13-H3C(O)CH3
  590522.9598  0.0067 -4.4183 3  595.6234492  59516140461 061 4    60 160 4      C-13-H3C(O)CH3
  590522.9741  0.0067 -3.9572 3  595.6234492  59516140461 061 3    60 160 3      C-13-H3C(O)CH3
  590522.9741  0.0067 -4.1081 3  595.6234492  59516140461 161 3    60 160 3      C-13-H3C(O)CH3
  590523.0165  0.0067 -4.1081 3  595.6234492 -59516140461 061 3    60 060 3      C-13-H3C(O)CH3
  590523.0165  0.0067 -4.4183 3  595.6234492 -59516140461 161 4    60 060 4      C-13-H3C(O)CH3
  590523.0165  0.0067 -3.8234 3  595.6234492 -59516140461 061 4    60 060 4      C-13-H3C(O)CH3
  590523.0165  0.0067 -3.9572 3  595.6234492 -59516140461 161 3    60 060 3      C-13-H3C(O)CH3
  590525.7400  0.0592 -5.6634 3  853.4561444  595161404553817 4    543915 4      C-13-H3C(O)CH3
  590526.5573  0.0108 -3.6789 3  595.5589984 -59516140461 161 1    60 060 1      C-13-H3C(O)CH3
  590526.5573  0.0108 -3.7764 3  595.5589984 -59516140461 161 1    60 160 1      C-13-H3C(O)CH3
  590526.5573  0.0104 -3.8123 3  595.5586984 -59516140461 061 2    60 060 2      C-13-H3C(O)CH3
  590526.5573  0.0104 -3.7951 3  595.5586984 -59516140461 161 2    60 160 2      C-13-H3C(O)CH3
  590526.5573  0.0104 -3.6523 3  595.5586984 -59516140461 061 2    60 160 2      C-13-H3C(O)CH3
  590526.5573  0.0108 -3.6789 3  595.5589984 -59516140461 061 1    60 160 1      C-13-H3C(O)CH3
  590526.5573  0.0108 -3.7764 3  595.5589984 -59516140461 061 1    60 060 1      C-13-H3C(O)CH3
  590526.5573  0.0104 -3.6646 3  595.5586984 -59516140461 161 2    60 060 2      C-13-H3C(O)CH3
  590530.2423  0.0078 -3.4934 3  595.4943984  59516140461 061 0    60 160 0      C-13-H3C(O)CH3
  590530.2423  0.0078 -4.2534 3  595.4943984  59516140461 161 0    60 160 0      C-13-H3C(O)CH3
  590530.3291  0.0078 -3.4934 3  595.4943984 -59516140461 161 0    60 060 0      C-13-H3C(O)CH3
  590530.3291  0.0078 -4.2534 3  595.4943984 -59516140461 061 0    60 060 0      C-13-H3C(O)CH3
  590536.1853  0.0415 -4.9310 3  684.5276808  595161404503120 1    493217 1      C-13-H3C(O)CH3
  590570.3125  0.0606 -5.0725 3  750.4115840  595161404523418 0    513517 0      C-13-H3C(O)CH3
  590605.4491  0.2428 -6.3444 3 1594.8348E00  595161404871770 0    871671 0      C-13-H3C(O)CH3
  590605.4491  0.2428 -6.3444 3 1594.8348E00  595161404871870 0    871771 0      C-13-H3C(O)CH3
  590605.4491  0.2428 -6.2539 3 1594.8348E00  595161404871770 0    871771 0      C-13-H3C(O)CH3
  590605.4491  0.2428 -6.2539 3 1594.8348E00  595161404871870 0    871671 0      C-13-H3C(O)CH3
  590625.4765  0.0825 -5.3470 3  849.7601B44  59516140471 369 0    71 270 0      C-13-H3C(O)CH3
  590625.4765  0.0825 -5.3470 3  849.7601B44  59516140471 269 0    71 170 0      C-13-H3C(O)CH3
  590653.2129  0.2948 -6.0490 3 1594.8537E00  595161404871870 1    871771 1      C-13-H3C(O)CH3
  590653.2129  0.2948 -6.0490 3 1594.8537E00  595161404871770 1    871671 1      C-13-H3C(O)CH3
  590663.1843  0.2902 -6.0116 3 1594.8544E00  595161404871870 2    871771 2      C-13-H3C(O)CH3
  590663.1843  0.2902 -6.0116 3 1594.8544E00  595161404871770 2    871671 2      C-13-H3C(O)CH3
  590674.1887  0.0210 -6.3597 3  287.4262520  5951614043224 9 1    3123 8 1      C-13-H3C(O)CH3
  590711.0619  0.1663 -6.3610 3 1594.8733700  595161404871870 3    871771 3      C-13-H3C(O)CH3
  590711.0619  0.1663 -6.3610 3 1594.8733700  595161404871770 3    871671 3      C-13-H3C(O)CH3
  590711.2028  0.1664 -6.3231 3 1594.8733700  595161404871870 4    871671 4      C-13-H3C(O)CH3
  590711.2028  0.1664 -6.3231 3 1594.8733700  595161404871770 4    871771 4      C-13-H3C(O)CH3
  590747.5817  0.0070 -4.6125 3  115.7032392  59516140424 718 2    23 419 2      C-13-H3C(O)CH3
  590747.5817  0.0070 -4.6124 3  115.7032392  59516140424 618 2    23 519 2      C-13-H3C(O)CH3
  590756.9012  0.0071 -4.6127 3  115.7039392  59516140424 718 1    23 419 1      C-13-H3C(O)CH3
  590756.9012  0.0071 -4.6127 3  115.7039392  59516140424 618 1    23 519 1      C-13-H3C(O)CH3
  590817.7004  0.0349 -6.2733 3  287.3999260  5951614043224 9 3    3123 8 3      C-13-H3C(O)CH3
  590818.2021  0.0909 -6.1962 3  814.1886888  595161404553025 2    552728 2      C-13-H3C(O)CH3
  590828.9859  0.0073 -4.1155 3  445.6036332  595161404412219 3    402318 3      C-13-H3C(O)CH3
  590831.5180  0.0639 -6.1958 3  814.1887888  595161404553025 1    552728 1      C-13-H3C(O)CH3
  590831.8880  0.0075 -4.1155 3  445.6035332  595161404412219 4    402318 4      C-13-H3C(O)CH3
  590846.7596  0.0077 -3.8143 3  445.6250664  595161404412219 2    402318 2      C-13-H3C(O)CH3
  590860.4396  0.0053 -3.8139 3  445.6304664  595161404412219 1    402318 1      C-13-H3C(O)CH3
  590876.9418  0.0054 -3.8138 3  445.6519664  595161404412219 0    402318 0      C-13-H3C(O)CH3
  590889.8666  0.0617 -6.1964 3  814.1873888  595161404553025 0    552728 0      C-13-H3C(O)CH3
  590899.9068  0.0313 -4.9040 3  684.5156808  595161404503120 0    493217 0      C-13-H3C(O)CH3
  590919.8161  0.0037 -3.7420 3  460.5882680  595161404422121 0    412220 0      C-13-H3C(O)CH3
  590921.9727  0.0039 -3.6517 3  501.0101728  595161404451827 0    441926 0      C-13-H3C(O)CH3
  590921.9740  0.0039 -3.6517 3  501.0101728  595161404451927 0    441826 0      C-13-H3C(O)CH3
  590927.5250  0.0044 -3.6369 3  287.4068260  5951614043224 8 4    3123 8 4      C-13-H3C(O)CH3
  590930.8188  0.0045 -3.7420 3  460.5657680  595161404422121 1    412220 1      C-13-H3C(O)CH3
  590941.6200  0.0053 -3.6517 3  500.9858728  595161404451827 1    441926 1      C-13-H3C(O)CH3
  590941.6214  0.0053 -3.6517 3  500.9858728  595161404451927 1    441826 1      C-13-H3C(O)CH3
  590947.3064  0.0049 -3.7421 3  460.5616680  595161404422121 2    412220 2      C-13-H3C(O)CH3
  590947.4016  0.0054 -3.6517 3  500.9842728  595161404451827 2    441926 2      C-13-H3C(O)CH3
  590947.4030  0.0054 -3.6517 3  500.9842728  595161404451927 2    441826 2      C-13-H3C(O)CH3
  590958.1498  0.0051 -4.0432 3  460.5391340  595161404422121 3    412220 3      C-13-H3C(O)CH3
  590958.2914  0.0051 -4.0432 3  460.5390340  595161404422121 4    412220 4      C-13-H3C(O)CH3
  590967.0767  0.0058 -3.9527 3  500.9598364  595161404451827 4    441926 4      C-13-H3C(O)CH3
  590967.0783  0.0058 -3.9527 3  500.9598364  595161404451927 4    441826 4      C-13-H3C(O)CH3
  590967.0815  0.0058 -3.9527 3  500.9599364  595161404451827 3    441926 3      C-13-H3C(O)CH3
  590967.0831  0.0058 -3.9527 3  500.9599364  595161404451927 3    441826 3      C-13-H3C(O)CH3
  590973.9602  0.0295 -5.4045 3  287.4340520  5951614043224 9 2    3123 8 2      C-13-H3C(O)CH3
  590989.1770  0.0038 -3.3360 3  287.4262520 -5951614043224 8 1    3123 8 1      C-13-H3C(O)CH3
  590990.2857  0.0148 -5.5541 3  151.3437196  5951614042417 8 4    231410 4      C-13-H3C(O)CH3
  590990.7019  0.0140 -4.8864 3  179.2067212  5951614042618 9 3    251510 3      C-13-H3C(O)CH3
  591013.8669  0.0797 -5.6556 3  750.4197840  595161404523418 1    513517 1      C-13-H3C(O)CH3
  591013.9840  0.0045 -4.6955 3  577.6845436 -59516140454 946 3    53 845 3      C-13-H3C(O)CH3
  591013.9840  0.0045 -3.8282 3  577.6845436 -59516140454 846 4    53 845 4      C-13-H3C(O)CH3
  591013.9840  0.0045 -3.8906 3  577.6845436 -59516140454 946 3    53 945 3      C-13-H3C(O)CH3
  591013.9840  0.0045 -3.8282 3  577.6845436 -59516140454 946 4    53 945 4      C-13-H3C(O)CH3
  591013.9840  0.0045 -4.6955 3  577.6845436 -59516140454 846 3    53 945 3      C-13-H3C(O)CH3
  591013.9840  0.0045 -3.8906 3  577.6845436 -59516140454 846 3    53 845 3      C-13-H3C(O)CH3
  591025.8130  0.0072 -4.9367 3  577.7140872 -59516140454 946 1    53 945 1      C-13-H3C(O)CH3
  591025.8130  0.0072 -3.5436 3  577.7140872 -59516140454 846 1    53 945 1      C-13-H3C(O)CH3
  591025.8130  0.0071 -4.9899 3  577.7137872 -59516140454 946 2    53 945 2      C-13-H3C(O)CH3
  591025.8130  0.0071 -3.5416 3  577.7137872 -59516140454 946 2    53 845 2      C-13-H3C(O)CH3
  591025.8130  0.0071 -4.9899 3  577.7137872 -59516140454 846 2    53 845 2      C-13-H3C(O)CH3
  591025.8130  0.0072 -3.5436 3  577.7140872 -59516140454 946 1    53 845 1      C-13-H3C(O)CH3
  591025.8130  0.0071 -3.5416 3  577.7137872 -59516140454 846 2    53 945 2      C-13-H3C(O)CH3
  591025.8130  0.0072 -4.9367 3  577.7140872 -59516140454 846 1    53 845 1      C-13-H3C(O)CH3
  591037.4617  0.0040 -3.5407 3  577.7432872 -59516140454 946 0    53 945 0      C-13-H3C(O)CH3
  591037.4617  0.0040 -4.4539 3  577.7432872 -59516140454 946 0    53 845 0      C-13-H3C(O)CH3
  591037.4617  0.0040 -3.5811 3  577.7432872 -59516140454 846 0    53 845 0      C-13-H3C(O)CH3
  591037.4617  0.0040 -5.0176 3  577.7432872 -59516140454 846 0    53 945 0      C-13-H3C(O)CH3
  591051.8865  0.0039 -3.3389 3  287.4340520 -5951614043224 8 2    3123 8 2      C-13-H3C(O)CH3
  591054.8972  0.0042 -3.6378 3  287.3999260  5951614043224 8 3    3123 8 3      C-13-H3C(O)CH3
  591056.1606  0.0139 -4.6371 3  179.2117424  5951614042618 9 1    251510 1      C-13-H3C(O)CH3
  591068.8096  0.0815 -5.7627 3  750.4261840  595161404523418 2    513517 2      C-13-H3C(O)CH3
  591081.6789  0.0038 -5.5105 3  295.2554268  595161404332212 3    322112 3      C-13-H3C(O)CH3
  591082.0767  0.0033 -5.7006 3  295.2764536  595161404332212 1    322112 1      C-13-H3C(O)CH3
  591100.0427  0.0032 -3.3351 3  287.4535520 -5951614043224 9 0    3123 8 0      C-13-H3C(O)CH3
  591111.4112  0.0041 -3.6374 3  287.3901260  5951614043224 9 3    3123 9 3      C-13-H3C(O)CH3
  591125.8779  0.0032 -3.3351 3  287.4529520 -5951614043224 8 0    3123 9 0      C-13-H3C(O)CH3
  591129.6834  0.0037 -3.7417 3  460.5828680 -595161404422221 0    412120 0      C-13-H3C(O)CH3
  591142.3241  0.0033 -5.9112 3  295.2779536  595161404332212 2    322112 2      C-13-H3C(O)CH3
  591145.0419  0.0045 -3.7416 3  460.5601680  595161404422221 1    412120 1      C-13-H3C(O)CH3
  591157.2723  0.2317 -6.0566 3 1542.6927D84  595161404861770 0    861671 0      C-13-H3C(O)CH3
  591157.2723  0.2317 -6.0566 3 1542.6927D84  595161404861670 0    861571 0      C-13-H3C(O)CH3
  591167.4140  0.0046 -3.7417 3  460.5559680  595161404422221 2    412120 2      C-13-H3C(O)CH3
  591171.8422  0.0032 -3.3357 3  287.4096520 -5951614043224 9 1    3123 9 1      C-13-H3C(O)CH3
  591178.9216  0.0035 -3.3390 3  287.4271520 -5951614043224 9 2    3123 9 2      C-13-H3C(O)CH3
  591179.9462  0.0066 -4.6115 3  115.6714392  59516140424 618 0    23 519 0      C-13-H3C(O)CH3
  591179.9463  0.0066 -4.6115 3  115.6714392  59516140424 718 0    23 419 0      C-13-H3C(O)CH3
  591182.3583  0.0049 -4.0428 3  460.5332340  595161404422221 4    412120 4      C-13-H3C(O)CH3
  591182.7171  0.0050 -4.0428 3  460.5332340  595161404422221 3    412120 3      C-13-H3C(O)CH3
  591229.3837  0.0050 -4.3239 3  203.1242228  595161404281712 4    271413 4      C-13-H3C(O)CH3
  591231.3094  0.2847 -5.9347 3 1542.7085D84  595161404861670 1    861671 1      C-13-H3C(O)CH3
  591231.3094  0.2847 -5.9347 3 1542.7085D84  595161404861770 1    861571 1      C-13-H3C(O)CH3
  591238.8109  0.0038 -3.6368 3  287.3833260  5951614043224 9 4    3123 9 4      C-13-H3C(O)CH3
  591239.4791  0.2821 -5.9139 3 1542.7088D84  595161404861670 2    861571 2      C-13-H3C(O)CH3
  591239.4791  0.2821 -5.9139 3 1542.7088D84  595161404861770 2    861671 2      C-13-H3C(O)CH3
  591239.9582  0.0052 -4.3239 3  203.1241228  595161404281712 3    271413 3      C-13-H3C(O)CH3
  591256.9297  0.0289 -5.4041 3  287.4271520  5951614043224 8 2    3123 9 2      C-13-H3C(O)CH3
  591308.3121  0.0107 -5.5438 3   90.4958188  59516140423 320 3    22 221 3      C-13-H3C(O)CH3
  591308.3121  0.0107 -5.5442 3   90.4958188  59516140423 420 3    22 121 3      C-13-H3C(O)CH3
  591308.8122  0.0125 -5.5427 3   90.4958188  59516140423 320 4    22 221 4      C-13-H3C(O)CH3
  591308.8122  0.0125 -5.5427 3   90.4958188  59516140423 420 4    22 121 4      C-13-H3C(O)CH3
  591313.6528  0.1587 -6.3220 3 1542.7245692  595161404861670 3    861571 3      C-13-H3C(O)CH3
  591313.6528  0.1587 -6.3220 3 1542.7245692  595161404861770 3    861671 3      C-13-H3C(O)CH3
  591313.8259  0.1587 -6.2680 3 1542.7245692  595161404861670 4    861571 4      C-13-H3C(O)CH3
  591313.8259  0.1587 -6.2680 3 1542.7245692  595161404861770 4    861671 4      C-13-H3C(O)CH3
  591326.9986  0.0054 -4.0228 3  203.1369456  595161404281712 1    271413 1      C-13-H3C(O)CH3
  591348.6080  0.0349 -6.2727 3  287.3901260  5951614043224 8 3    3123 9 3      C-13-H3C(O)CH3
  591375.0148  0.0053 -4.0235 3  203.1306456  595161404281712 2    271413 2      C-13-H3C(O)CH3
  591410.9203  0.1505 -5.5910 3  806.8588B28  59516140470 269 0    70 070 0      C-13-H3C(O)CH3
  591410.9203  0.1505 -5.5910 3  806.8588B28  59516140470 169 0    70 170 0      C-13-H3C(O)CH3
  591464.9577  0.0058 -4.0234 3  203.1434456  595161404281712 0    271413 0      C-13-H3C(O)CH3
  591486.8611  0.0203 -6.3586 3  287.4096520  5951614043224 8 1    3123 9 1      C-13-H3C(O)CH3
  591537.5756  0.0066 -5.1970 3  148.6949196  5951614042416 8 3    231311 3      C-13-H3C(O)CH3
  591590.4771  0.0040 -3.6345 3  513.2074744  595161404461729 0    451828 0      C-13-H3C(O)CH3
  591590.4771  0.0040 -3.6345 3  513.2074744  595161404461829 0    451728 0      C-13-H3C(O)CH3
  591609.6612  0.0056 -3.6344 3  513.1825744  595161404461729 1    451828 1      C-13-H3C(O)CH3
  591609.6612  0.0056 -3.6344 3  513.1825744  595161404461829 1    451728 1      C-13-H3C(O)CH3
  591613.9602  0.0057 -3.6344 3  513.1812744  595161404461729 2    451828 2      C-13-H3C(O)CH3
  591613.9602  0.0057 -3.6344 3  513.1812744  595161404461829 2    451728 2      C-13-H3C(O)CH3
  591633.1756  0.0059 -3.9354 3  513.1562372  595161404461829 4    451728 4      C-13-H3C(O)CH3
  591633.1756  0.0059 -3.9354 3  513.1562372  595161404461729 4    451828 4      C-13-H3C(O)CH3
  591633.1794  0.0060 -3.9354 3  513.1563372  595161404461729 3    451828 3      C-13-H3C(O)CH3
  591633.1794  0.0060 -3.9354 3  513.1563372  595161404461829 3    451728 3      C-13-H3C(O)CH3
  591693.9333  0.2149 -5.8633 3 1491.1257D68  595161404851570 0    851471 0      C-13-H3C(O)CH3
  591693.9333  0.2149 -5.8633 3 1491.1257D68  595161404851670 0    851571 0      C-13-H3C(O)CH3
  591728.0448  0.0126 -4.6096 3  179.1979424  5951614042618 9 2    251510 2      C-13-H3C(O)CH3
  591742.9492  0.0069 -5.2148 3  148.6948196  5951614042416 8 4    231311 4      C-13-H3C(O)CH3
  591794.2519  0.2653 -5.8582 3 1491.1372D68  595161404851570 1    851571 1      C-13-H3C(O)CH3
  591794.2519  0.2653 -5.8582 3 1491.1372D68  595161404851670 1    851471 1      C-13-H3C(O)CH3
  591800.4446  0.2644 -6.0961 3 1491.1372D68  595161404851670 2    851571 2      C-13-H3C(O)CH3
  591800.4446  0.2644 -6.1676 3 1491.1372D68  595161404851570 2    851571 2      C-13-H3C(O)CH3
  591800.4446  0.2644 -6.0961 3 1491.1372D68  595161404851570 2    851471 2      C-13-H3C(O)CH3
  591800.4446  0.2644 -6.1676 3 1491.1372D68  595161404851670 2    851471 2      C-13-H3C(O)CH3
  591802.2853  0.0061 -4.9012 3  148.6936392  5951614042416 8 1    231311 1      C-13-H3C(O)CH3
  591808.0407  0.0103 -5.3812 3  151.3441392  5951614042417 8 1    231410 1      C-13-H3C(O)CH3
  591815.2260  0.0061 -4.8966 3  148.6894392  5951614042416 8 2    231311 2      C-13-H3C(O)CH3
  591819.9337  0.1144 -6.4031 3  750.4331420  595161404523418 4    513517 4      C-13-H3C(O)CH3
  591857.9802  0.0785 -6.1950 3  814.1887888  595161404553125 2    552828 2      C-13-H3C(O)CH3
  591869.6005  0.0619 -6.1946 3  814.1887888  595161404553125 1    552828 1      C-13-H3C(O)CH3
  591880.9585  0.0583 -6.1952 3  814.1874888  595161404553125 0    552828 0      C-13-H3C(O)CH3
  591887.5049  0.0957 -5.0085 3  603.8369380  595161404472918 3    463017 3      C-13-H3C(O)CH3
  591896.9687  0.0138 -5.2394 3   90.4360376  59516140423 320 2    22 221 2      C-13-H3C(O)CH3
  591896.9687  0.0138 -5.2394 3   90.4360376  59516140423 420 2    22 121 2      C-13-H3C(O)CH3
  591899.9379  0.0141 -5.2887 3   90.4364376  59516140423 320 1    22 121 1      C-13-H3C(O)CH3
  591899.9379  0.0141 -6.2062 3   90.4364376  59516140423 420 1    22 121 1      C-13-H3C(O)CH3
  591899.9379  0.0141 -6.2062 3   90.4364376  59516140423 320 1    22 221 1      C-13-H3C(O)CH3
  591899.9379  0.0141 -5.2887 3   90.4364376  59516140423 420 1    22 221 1      C-13-H3C(O)CH3
  591900.9199  0.1491 -6.4008 3 1491.1487684  595161404851570 3    851571 3      C-13-H3C(O)CH3
  591900.9199  0.1491 -6.4008 3 1491.1487684  595161404851670 3    851471 3      C-13-H3C(O)CH3
  591901.1237  0.1492 -6.2908 3 1491.1487684  595161404851670 4    851471 4      C-13-H3C(O)CH3
  591901.1237  0.1492 -6.2908 3 1491.1487684  595161404851570 4    851571 4      C-13-H3C(O)CH3
  591906.5645  0.0091 -6.3604 3  151.3444196  5951614042417 8 3    231410 3      C-13-H3C(O)CH3
  591973.3762  0.0063 -4.8922 3  148.6881392  5951614042416 8 0    231311 0      C-13-H3C(O)CH3
  592104.0806  0.0121 -4.5788 3  179.2029424  5951614042618 9 0    251510 0      C-13-H3C(O)CH3
  592116.8677  0.0042 -4.3754 3  584.2660444 -59516140455 748 4    54 847 4      C-13-H3C(O)CH3
  592116.8677  0.0042 -3.9593 3  584.2660444 -59516140455 748 4    54 747 4      C-13-H3C(O)CH3
  592116.8677  0.0042 -5.1940 3  584.2660444 -59516140455 748 3    54 747 3      C-13-H3C(O)CH3
  592116.8677  0.0042 -3.9593 3  584.2660444 -59516140455 848 4    54 847 4      C-13-H3C(O)CH3
  592116.8677  0.0042 -5.1940 3  584.2660444 -59516140455 848 3    54 847 3      C-13-H3C(O)CH3
  592116.8677  0.0042 -3.8370 3  584.2660444 -59516140455 848 3    54 747 3      C-13-H3C(O)CH3
  592116.8677  0.0042 -3.8370 3  584.2660444 -59516140455 748 3    54 847 3      C-13-H3C(O)CH3
  592116.8677  0.0042 -4.3754 3  584.2660444 -59516140455 848 4    54 747 4      C-13-H3C(O)CH3
  592133.5950  0.0067 -4.5278 3  584.2935888 -59516140455 748 2    54 747 2      C-13-H3C(O)CH3
  592133.5950  0.0067 -3.5619 3  584.2935888 -59516140455 748 2    54 847 2      C-13-H3C(O)CH3
  592133.5950  0.0068 -5.3512 3  584.2939888 -59516140455 748 1    54 747 1      C-13-H3C(O)CH3
  592133.5950  0.0068 -3.5237 3  584.2939888 -59516140455 748 1    54 847 1      C-13-H3C(O)CH3
  592133.5950  0.0067 -3.5619 3  584.2935888 -59516140455 848 2    54 747 2      C-13-H3C(O)CH3
  592133.5950  0.0068 -3.5237 3  584.2939888 -59516140455 848 1    54 747 1      C-13-H3C(O)CH3
  592133.5950  0.0068 -5.3512 3  584.2939888 -59516140455 848 1    54 847 1      C-13-H3C(O)CH3
  592133.5950  0.0067 -4.5278 3  584.2935888 -59516140455 848 2    54 847 2      C-13-H3C(O)CH3
  592140.5611  0.0120 -6.1219 3  474.6876696  595161404432023 0    431726 0      C-13-H3C(O)CH3
  592141.6222  0.0120 -6.1219 3  474.6876696  595161404432123 0    431826 0      C-13-H3C(O)CH3
  592150.1144  0.0039 -4.3536 3  584.3213888 -59516140455 848 0    54 747 0      C-13-H3C(O)CH3
  592150.1144  0.0039 -3.5858 3  584.3213888 -59516140455 848 0    54 847 0      C-13-H3C(O)CH3
  592150.1144  0.0039 -3.5858 3  584.3213888 -59516140455 748 0    54 747 0      C-13-H3C(O)CH3
  592150.1144  0.0039 -4.3536 3  584.3213888 -59516140455 748 0    54 847 0      C-13-H3C(O)CH3
  592208.2337  0.0093 -3.7701 3  273.0063520  595161404322012 2    311913 2      C-13-H3C(O)CH3
  592213.8632  0.0147 -6.1222 3  474.6601696  595161404432023 2    431726 2      C-13-H3C(O)CH3
  592215.0135  0.0147 -6.1222 3  474.6601696  595161404432123 2    431826 2      C-13-H3C(O)CH3
  592217.6256  0.1931 -5.7528 3 1440.1345D52  595161404841570 0    841471 0      C-13-H3C(O)CH3
  592217.6256  0.1931 -5.7528 3 1440.1345D52  595161404841470 0    841371 0      C-13-H3C(O)CH3
  592238.7663  0.0098 -5.4884 3  151.3405392  5951614042417 8 2    231410 2      C-13-H3C(O)CH3
  592238.8674  0.0131 -6.1207 3  474.6617696  595161404432023 1    431726 1      C-13-H3C(O)CH3
  592239.9804  0.0131 -6.1207 3  474.6617696  595161404432123 1    431826 1      C-13-H3C(O)CH3
  592255.5012  0.0935 -6.2300 3  576.7495372  595161404462818 4    452916 4      C-13-H3C(O)CH3
  592264.5823  0.0599 -5.8279 3 1008.2434952  595161404594416 0    584513 0      C-13-H3C(O)CH3
  592264.5867  0.0599 -5.8279 3 1008.2434952  595161404594415 0    584514 0      C-13-H3C(O)CH3
  592295.8485  0.0077 -3.7708 3  273.0279520  595161404322012 0    311913 0      C-13-H3C(O)CH3
  592330.9152  0.2624 -6.0325 3  972.3434968  595161404603427 0    593524 0      C-13-H3C(O)CH3
  592342.7703  0.2372 -5.7933 3 1440.1407D52  595161404841570 1    841471 1      C-13-H3C(O)CH3
  592342.7703  0.2372 -5.7933 3 1440.1407D52  595161404841470 1    841371 1      C-13-H3C(O)CH3
  592343.2312  0.0116 -4.0726 3  272.9891260  595161404322012 4    311913 4      C-13-H3C(O)CH3
  592346.9703  0.2378 -5.7954 3 1440.1406D52  595161404841570 2    841471 2      C-13-H3C(O)CH3
  592346.9703  0.2378 -5.7574 3 1440.1406D52  595161404841470 2    841371 2      C-13-H3C(O)CH3
  592361.9437  0.0125 -4.0728 3  272.9892260  595161404322012 3    311913 3      C-13-H3C(O)CH3
  592394.1307  0.0040 -3.6217 3  524.8138760  595161404471731 0    461630 0      C-13-H3C(O)CH3
  592394.1307  0.0040 -3.6204 3  524.8138760  595161404471631 0    461730 0      C-13-H3C(O)CH3
  592394.1307  0.0040 -6.0560 3  524.8138760  595161404471731 0    461730 0      C-13-H3C(O)CH3
  592399.5647  0.0774 -5.0710 3  603.8213380  595161404472918 4    463017 4      C-13-H3C(O)CH3
  592412.0798  0.0059 -6.3613 3  524.7882760  595161404471731 1    461730 1      C-13-H3C(O)CH3
  592412.0798  0.0059 -3.6209 3  524.7882760  595161404471731 1    461630 1      C-13-H3C(O)CH3
  592412.0798  0.0059 -3.6206 3  524.7882760  595161404471631 1    461730 1      C-13-H3C(O)CH3
  592415.3573  0.0060 -3.6205 3  524.7871760  595161404471731 2    461630 2      C-13-H3C(O)CH3
  592415.3573  0.0060 -3.6208 3  524.7871760  595161404471631 2    461730 2      C-13-H3C(O)CH3
  592427.7179  0.0683 -5.8279 3 1008.2893952  595161404594415 2    584513 2      C-13-H3C(O)CH3
  592433.3351  0.0061 -3.9231 3  524.7614380  595161404471731 4    461630 4      C-13-H3C(O)CH3
  592433.3351  0.0061 -6.1874 3  524.7614380  595161404471731 4    461730 4      C-13-H3C(O)CH3
  592433.3351  0.0061 -3.9212 3  524.7614380  595161404471631 4    461730 4      C-13-H3C(O)CH3
  592433.3411  0.0061 -3.9212 3  524.7615380  595161404471731 3    461630 3      C-13-H3C(O)CH3
  592433.3411  0.0061 -3.9212 3  524.7615380  595161404471631 3    461730 3      C-13-H3C(O)CH3
  592437.6515  0.0091 -3.7724 3  273.0109520  595161404322012 1    311913 1      C-13-H3C(O)CH3
  592438.1279  0.0636 -5.8279 3 1008.2631952  595161404594416 1    584514 1      C-13-H3C(O)CH3
  592455.1333  0.0630 -5.8279 3 1008.2784952  595161404594415 1    584513 1      C-13-H3C(O)CH3
  592472.2865  0.1380 -6.2192 3 1440.1468676  595161404841570 3    841471 3      C-13-H3C(O)CH3
  592472.2865  0.1380 -6.2192 3 1440.1468676  595161404841470 3    841371 3      C-13-H3C(O)CH3
  592472.5167  0.1381 -6.0971 3 1440.1468676  595161404841470 4    841371 4      C-13-H3C(O)CH3
  592472.5167  0.1381 -6.0971 3 1440.1468676  595161404841570 4    841471 4      C-13-H3C(O)CH3
  592487.2134  0.0133 -6.0207 3   90.3767376  59516140423 320 0    22 121 0      C-13-H3C(O)CH3
  592487.2134  0.0133 -5.3158 3   90.3767376  59516140423 320 0    22 221 0      C-13-H3C(O)CH3
  592487.2134  0.0133 -6.2037 3   90.3767376  59516140423 420 0    22 221 0      C-13-H3C(O)CH3
  592487.2134  0.0133 -5.2873 3   90.3767376  59516140423 420 0    22 121 0      C-13-H3C(O)CH3
  592519.9577  0.0836 -4.7312 3  603.8325760  595161404472918 2    463017 2      C-13-H3C(O)CH3
  592541.1508  0.0193 -6.3787 3  132.0248360  5951614042218 5 2    2115 6 2      C-13-H3C(O)CH3
  592563.8594  0.0631 -5.8281 3 1008.2644952  595161404594416 2    584514 2      C-13-H3C(O)CH3
  592601.4528  0.0843 -6.1290 3 1008.3090476  595161404594415 3    584513 3      C-13-H3C(O)CH3
  592618.7378  0.0845 -6.1289 3 1008.3244476  595161404594415 4    584513 4      C-13-H3C(O)CH3
  592730.9780  0.1672 -5.6759 3 1389.7197D36  595161404831470 0    831371 0      C-13-H3C(O)CH3
  592730.9780  0.1672 -5.6759 3 1389.7197D36  595161404831370 0    831271 0      C-13-H3C(O)CH3
  592739.0313  0.0836 -6.1291 3 1008.2840476  595161404594416 4    584514 4      C-13-H3C(O)CH3
  592755.1407  0.0800 -6.1291 3 1008.2995476  595161404594416 3    584514 3      C-13-H3C(O)CH3
  592793.7266  0.0085 -5.1699 3  151.3444196  5951614042417 7 3    231410 3      C-13-H3C(O)CH3
  592805.0610  0.0875 -6.3401 3  576.7512744  595161404462818 2    452916 2      C-13-H3C(O)CH3
  592830.7190  0.0212 -6.0785 3  132.0097180  5951614042218 5 3    2115 6 3      C-13-H3C(O)CH3
  592833.6501  0.0459 -4.7167 3  603.8305760  595161404472918 1    463017 1      C-13-H3C(O)CH3
  592877.6964  0.2023 -5.6755 3 1389.7199D36  595161404831470 1    831271 1      C-13-H3C(O)CH3
  592877.6964  0.2023 -5.6755 3 1389.7199D36  595161404831370 1    831371 1      C-13-H3C(O)CH3
  592880.0476  0.2039 -5.7013 3 1389.7197D36  595161404831370 2    831271 2      C-13-H3C(O)CH3
  592880.0476  0.2039 -5.7013 3 1389.7197D36  595161404831470 2    831371 2      C-13-H3C(O)CH3
  592883.9802  0.0192 -4.2347 3  449.7142332  595161404412318 3    402417 3      C-13-H3C(O)CH3
  592894.1202  0.0091 -3.8251 3  425.8750648 -595161404402318 0    392217 0      C-13-H3C(O)CH3
  592895.8234  0.0189 -4.2347 3  449.7140332  595161404412318 4    402417 4      C-13-H3C(O)CH3
  592912.5466  0.0128 -5.4452 3  179.2117424  5951614042618 8 1    251510 1      C-13-H3C(O)CH3
  592915.6976  0.0101 -3.8250 3  425.8529648  595161404402318 1    392217 1      C-13-H3C(O)CH3
  592946.1413  0.0167 -5.5170 3  179.2069212  5951614042618 8 4    251510 4      C-13-H3C(O)CH3
  592956.3686  0.0193 -3.9333 3  449.7340664  595161404412318 2    402417 2      C-13-H3C(O)CH3
  592972.0307  0.1524 -6.2060 3  781.8104856  595161404533519 2    523616 2      C-13-H3C(O)CH3
  592984.8682  0.0145 -5.7621 3  132.0097180  5951614042218 4 3    2115 6 3      C-13-H3C(O)CH3
  593026.9447  0.1259 -6.1553 3 1389.7199668  595161404831470 3    831371 3      C-13-H3C(O)CH3
  593026.9447  0.1259 -6.1553 3 1389.7199668  595161404831370 3    831271 3      C-13-H3C(O)CH3
  593027.1926  0.1259 -5.9873 3 1389.7199668  595161404831370 4    831371 4      C-13-H3C(O)CH3
  593027.1926  0.1259 -5.9873 3 1389.7199668  595161404831470 4    831271 4      C-13-H3C(O)CH3
  593093.4214  0.0110 -3.8252 3  425.8416648  595161404402318 2    392217 2      C-13-H3C(O)CH3
  593100.8349  0.0118 -3.9321 3  449.7389664  595161404412318 1    402417 1      C-13-H3C(O)CH3
  593108.8625  0.0108 -4.1261 3  425.8195324  595161404402318 4    392217 4      C-13-H3C(O)CH3
  593116.7694  0.0125 -4.1261 3  425.8193324  595161404402318 3    392217 3      C-13-H3C(O)CH3
  593142.4844  0.3647 -6.0263 3  972.3252968  595161404603427 2    593524 2      C-13-H3C(O)CH3
  593144.5345  0.0456 -5.8982 3  684.4401808  595161404503120 2    493218 2      C-13-H3C(O)CH3
  593151.9807  0.2421 -6.0262 3  972.3235968  595161404603427 1    593524 1      C-13-H3C(O)CH3
  593168.9976  0.0129 -3.9317 3  449.7587664  595161404412318 0    402417 0      C-13-H3C(O)CH3
  593195.9409  0.0502 -4.7023 3  603.8346760  595161404472918 0    463017 0      C-13-H3C(O)CH3
  593221.8718  0.0335 -6.1191 3  684.4380808  595161404503120 1    493218 1      C-13-H3C(O)CH3
  593229.7263  0.0040 -3.8502 3  590.3081452 -59516140456 750 4    55 749 4      C-13-H3C(O)CH3
  593229.7263  0.0040 -5.0452 3  590.3081452 -59516140456 650 3    55 649 3      C-13-H3C(O)CH3
  593229.7263  0.0040 -4.2525 3  590.3081452 -59516140456 750 4    55 649 4      C-13-H3C(O)CH3
  593229.7263  0.0040 -4.8519 3  590.3081452 -59516140456 650 4    55 749 4      C-13-H3C(O)CH3
  593229.7263  0.0040 -4.0029 3  590.3081452 -59516140456 650 4    55 649 4      C-13-H3C(O)CH3
  593229.7263  0.0040 -3.8350 3  590.3081452 -59516140456 750 3    55 649 3      C-13-H3C(O)CH3
  593229.7263  0.0040 -3.8350 3  590.3081452 -59516140456 650 3    55 749 3      C-13-H3C(O)CH3
  593229.7263  0.0040 -5.0452 3  590.3081452 -59516140456 750 3    55 749 3      C-13-H3C(O)CH3
  593237.1007  0.1389 -6.3228 3 1339.8820D20  595161404821370 0    821171 0      C-13-H3C(O)CH3
  593237.1007  0.1389 -6.3228 3 1339.8820D20  595161404821270 0    821271 0      C-13-H3C(O)CH3
  593237.1007  0.1389 -5.6964 3 1339.8820D20  595161404821370 0    821271 0      C-13-H3C(O)CH3
  593237.1007  0.1389 -5.6964 3 1339.8820D20  595161404821270 0    821171 0      C-13-H3C(O)CH3
  593250.9093  0.0062 -3.5092 3  590.3330904 -59516140456 750 1    55 749 1      C-13-H3C(O)CH3
  593250.9093  0.0062 -6.0796 3  590.3330904 -59516140456 750 1    55 649 1      C-13-H3C(O)CH3
  593250.9093  0.0060 -3.5160 3  590.3326904 -59516140456 650 2    55 649 2      C-13-H3C(O)CH3
  593250.9093  0.0062 -6.0796 3  590.3330904 -59516140456 650 1    55 749 1      C-13-H3C(O)CH3
  593250.9093  0.0060 -5.2458 3  590.3326904 -59516140456 650 2    55 749 2      C-13-H3C(O)CH3
  593250.9093  0.0062 -3.5092 3  590.3330904 -59516140456 650 1    55 649 1      C-13-H3C(O)CH3
  593250.9093  0.0060 -5.2458 3  590.3326904 -59516140456 750 2    55 649 2      C-13-H3C(O)CH3
  593250.9093  0.0060 -3.5160 3  590.3326904 -59516140456 750 2    55 749 2      C-13-H3C(O)CH3
  593252.8836  0.0461 -5.8673 3  684.4352404  595161404503120 4    493218 4      C-13-H3C(O)CH3
  593272.2616  0.0038 -4.0036 3  590.3574904 -59516140456 750 0    55 749 0      C-13-H3C(O)CH3
  593272.2616  0.0038 -3.6752 3  590.3574904 -59516140456 650 0    55 749 0      C-13-H3C(O)CH3
  593272.2616  0.0038 -4.0036 3  590.3574904 -59516140456 650 0    55 649 0      C-13-H3C(O)CH3
  593272.2616  0.0038 -3.6752 3  590.3574904 -59516140456 750 0    55 649 0      C-13-H3C(O)CH3
  593287.0669  0.0040 -4.6898 3  535.8433776  595161404481533 0    471532 0      C-13-H3C(O)CH3
  593287.0669  0.0040 -3.6455 3  535.8433776  595161404481533 0    471632 0      C-13-H3C(O)CH3
  593287.0669  0.0040 -4.6898 3  535.8433776  595161404481633 0    471632 0      C-13-H3C(O)CH3
  593287.0669  0.0040 -3.6455 3  535.8433776  595161404481633 0    471532 0      C-13-H3C(O)CH3
  593290.6810  0.0121 -5.7309 3  179.1979424  5951614042618 8 2    251510 2      C-13-H3C(O)CH3
  593303.1396  0.0062 -6.1650 3  535.8169776  595161404481633 1    471532 1      C-13-H3C(O)CH3
  593303.1396  0.0062 -6.1650 3  535.8169776  595161404481533 1    471632 1      C-13-H3C(O)CH3
  593303.1396  0.0062 -3.6091 3  535.8169776  595161404481633 1    471632 1      C-13-H3C(O)CH3
  593303.1396  0.0062 -3.6091 3  535.8169776  595161404481533 1    471532 1      C-13-H3C(O)CH3
  593305.6842  0.0063 -3.6911 3  535.8160776  595161404481633 2    471632 2      C-13-H3C(O)CH3
  593305.6842  0.0063 -4.3660 3  535.8160776  595161404481533 2    471632 2      C-13-H3C(O)CH3
  593305.6842  0.0063 -4.3660 3  535.8160776  595161404481633 2    471532 2      C-13-H3C(O)CH3
  593305.6842  0.0063 -3.6911 3  535.8160776  595161404481533 2    471532 2      C-13-H3C(O)CH3
  593313.3296  0.1158 -6.0540 3  781.7968856  595161404533519 1    523616 1      C-13-H3C(O)CH3
  593321.7795  0.0061 -3.9830 3  535.7895388  595161404481533 4    471632 4      C-13-H3C(O)CH3
  593321.7795  0.0061 -3.9830 3  535.7895388  595161404481633 4    471532 4      C-13-H3C(O)CH3
  593321.7795  0.0061 -4.7128 3  535.7895388  595161404481633 4    471632 4      C-13-H3C(O)CH3
  593321.7795  0.0061 -4.7128 3  535.7895388  595161404481533 4    471532 4      C-13-H3C(O)CH3
  593321.7895  0.0061 -4.2526 3  535.7895388  595161404481533 3    471632 3      C-13-H3C(O)CH3
  593321.7895  0.0061 -4.1709 3  535.7895388  595161404481533 3    471532 3      C-13-H3C(O)CH3
  593321.7895  0.0061 -4.1709 3  535.7895388  595161404481633 3    471632 3      C-13-H3C(O)CH3
  593321.7895  0.0061 -4.2526 3  535.7895388  595161404481633 3    471532 3      C-13-H3C(O)CH3
  593399.9813  0.1632 -6.1399 3 1339.8756D20  595161404821370 1    821171 1      C-13-H3C(O)CH3
  593399.9813  0.1632 -5.7533 3 1339.8756D20  595161404821270 1    821171 1      C-13-H3C(O)CH3
  593399.9813  0.1632 -5.7533 3 1339.8756D20  595161404821370 1    821271 1      C-13-H3C(O)CH3
  593399.9813  0.1632 -6.1399 3 1339.8756D20  595161404821270 1    821271 1      C-13-H3C(O)CH3
  593400.7761  0.1651 -5.6046 3 1339.8754D20  595161404821370 2    821271 2      C-13-H3C(O)CH3
  593400.7761  0.1651 -5.6046 3 1339.8754D20  595161404821270 2    821171 2      C-13-H3C(O)CH3
  593410.3023  0.0125 -5.5955 3  131.9354180  5951614042218 5 4    2115 7 4      C-13-H3C(O)CH3
  593425.5254  0.0101 -6.1897 3  192.4556220  5951614042718 9 4    261511 4      C-13-H3C(O)CH3
  593453.8204  0.0145 -5.6042 3  132.0491180  5951614042218 4 4    2115 6 4      C-13-H3C(O)CH3
  593504.7348  0.0105 -6.2378 3  192.4644440  5951614042718 9 1    261511 1      C-13-H3C(O)CH3
  593507.4304  0.0898 -6.2523 3 1139.1689A00  595161404624914 1    615012 1      C-13-H3C(O)CH3
  593515.0294  0.0097 -4.9897 3  151.3441392  5951614042417 7 1    231410 1      C-13-H3C(O)CH3
  593535.1475  0.0669 -6.2521 3 1139.1670A00  595161404624913 0    615011 0      C-13-H3C(O)CH3
  593535.1475  0.0669 -6.2521 3 1139.1670A00  595161404624914 0    615012 0      C-13-H3C(O)CH3
  593563.8327  0.1133 -6.1363 3 1339.8690660  595161404821370 3    821271 3      C-13-H3C(O)CH3
  593563.8327  0.1133 -6.2883 3 1339.8690660  595161404821270 3    821271 3      C-13-H3C(O)CH3
  593563.8327  0.1133 -6.1363 3 1339.8690660  595161404821270 3    821171 3      C-13-H3C(O)CH3
  593563.8327  0.1133 -6.2883 3 1339.8690660  595161404821370 3    821171 3      C-13-H3C(O)CH3
  593564.0837  0.1134 -5.9641 3 1339.8689660  595161404821270 4    821171 4      C-13-H3C(O)CH3
  593564.0837  0.1134 -5.9641 3 1339.8689660  595161404821370 4    821271 4      C-13-H3C(O)CH3
  593583.4795  0.0098 -4.9546 3  151.3405392  5951614042417 7 2    231410 2      C-13-H3C(O)CH3
  593588.5779  0.0068 -4.8433 3  151.3405392  5951614042417 7 0    231410 0      C-13-H3C(O)CH3
  593637.3261  0.1220 -5.8169 3  781.8233428  595161404533519 3    523616 3      C-13-H3C(O)CH3
  593680.5139  0.0899 -6.2525 3 1139.1613A00  595161404624914 2    615012 2      C-13-H3C(O)CH3
  593697.4514  0.0916 -6.2524 3 1139.1940A00  595161404624913 1    615011 1      C-13-H3C(O)CH3
  593699.8495  0.1318 -6.3203 3  943.1123952  595161404593326 1    593029 1      C-13-H3C(O)CH3
  593714.0885  0.1845 -6.3205 3  943.1132952  595161404593326 2    593029 2      C-13-H3C(O)CH3
  593739.6313  0.1103 -5.6219 3 1290.6218D04  595161404811270 0    811171 0      C-13-H3C(O)CH3
  593739.6313  0.1103 -6.2873 3 1290.6218D04  595161404811270 0    811071 0      C-13-H3C(O)CH3
  593739.6313  0.1103 -6.2873 3 1290.6218D04  595161404811170 0    811171 0      C-13-H3C(O)CH3
  593739.6313  0.1103 -5.6219 3 1290.6218D04  595161404811170 0    811071 0      C-13-H3C(O)CH3
  593743.4337  0.0133 -5.3552 3  151.3437196  5951614042417 7 4    231410 4      C-13-H3C(O)CH3
  593785.5115  0.0906 -5.4551 3  781.7901428  595161404533519 4    523617 4      C-13-H3C(O)CH3
  593813.5416  0.1000 -6.2524 3 1139.1977A00  595161404624913 2    615011 2      C-13-H3C(O)CH3
  593822.5140  0.0730 -5.6795 3  781.8171428  595161404533519 3    523617 3      C-13-H3C(O)CH3
  593857.0867  0.0108 -5.3190 3  132.0266360  5951614042218 4 1    2115 6 1      C-13-H3C(O)CH3
  593870.2938  0.0148 -5.7622 3  131.9750180  5951614042218 5 3    2115 7 3      C-13-H3C(O)CH3
  593910.3696  0.1256 -5.8372 3 1290.6083D04  595161404811270 2    811071 2      C-13-H3C(O)CH3
  593910.3696  0.1256 -5.8381 3 1290.6083D04  595161404811270 2    811171 2      C-13-H3C(O)CH3
  593910.3696  0.1256 -5.8372 3 1290.6083D04  595161404811170 2    811171 2      C-13-H3C(O)CH3
  593910.3696  0.1256 -5.8381 3 1290.6083D04  595161404811170 2    811071 2      C-13-H3C(O)CH3
  593910.7124  0.1242 -5.5450 3 1290.6085D04  595161404811270 1    811071 1      C-13-H3C(O)CH3
  593910.7124  0.1242 -5.5450 3 1290.6085D04  595161404811170 1    811171 1      C-13-H3C(O)CH3
  593913.2765  0.1316 -6.3206 3  943.1039952  595161404593326 0    593029 0      C-13-H3C(O)CH3
  593957.1218  0.3390 -6.3210 3  972.3056484  595161404603427 4    593524 4      C-13-H3C(O)CH3
  593965.0832  0.0784 -5.1796 3  781.7773856  595161404533519 2    523617 2      C-13-H3C(O)CH3
  593968.8684  0.3431 -6.3209 3  972.3052484  595161404603427 3    593524 3      C-13-H3C(O)CH3
  594007.5860  0.0036 -3.8364 3  295.2557268  595161404332211 4    322112 4      C-13-H3C(O)CH3
  594015.2048  0.0037 -3.5385 3  295.2764536  595161404332211 1    322112 1      C-13-H3C(O)CH3
  594019.2847  0.0035 -3.5347 3  295.2985536 -595161404332211 0    322112 0      C-13-H3C(O)CH3
  594024.4430  0.0201 -6.0769 3  131.9750180  5951614042218 4 3    2115 7 3      C-13-H3C(O)CH3
  594032.1671  0.0040 -3.5362 3  295.2779536  595161404332211 2    322112 2      C-13-H3C(O)CH3
  594047.6450  0.0059 -3.8455 3  295.2554268  595161404332211 3    322112 3      C-13-H3C(O)CH3
  594055.1496  0.0667 -5.1408 3  781.7575856  595161404533519 0    523616 0      C-13-H3C(O)CH3
  594077.7163  0.0058 -4.4750 3  159.9409212  595161404261115 4    251016 4      C-13-H3C(O)CH3
  594077.7799  0.0044 -4.4750 3  159.9409212  595161404261115 3    251016 3      C-13-H3C(O)CH3
  594081.6131  0.1012 -5.9580 3 1290.5951652  595161404811270 3    811071 3      C-13-H3C(O)CH3
  594081.6131  0.1012 -5.9580 3 1290.5951652  595161404811170 3    811171 3      C-13-H3C(O)CH3
  594081.8444  0.1012 -5.8374 3 1290.5950652  595161404811170 4    811171 4      C-13-H3C(O)CH3
  594081.8444  0.1012 -5.8374 3 1290.5950652  595161404811270 4    811071 4      C-13-H3C(O)CH3
  594082.3254  0.0058 -4.4750 3  159.9409212  595161404261215 4    25 916 4      C-13-H3C(O)CH3
  594082.4151  0.0044 -4.4750 3  159.9409212  595161404261215 3    25 916 3      C-13-H3C(O)CH3
  594107.4645  0.0102 -5.3149 3  131.9582360  5951614042218 5 1    2115 7 1      C-13-H3C(O)CH3
  594123.4688  0.0663 -5.1972 3  781.7698856  595161404533519 1    523617 1      C-13-H3C(O)CH3
  594189.3701  0.0104 -5.3325 3  132.0248360  5951614042218 4 2    2115 6 2      C-13-H3C(O)CH3
  594241.5564  0.0041 -3.6099 3  546.3055792  595161404491435 0    481434 0      C-13-H3C(O)CH3
  594241.5564  0.0041 -5.1328 3  546.3055792  595161404491435 0    481534 0      C-13-H3C(O)CH3
  594241.5564  0.0041 -5.1328 3  546.3055792  595161404491535 0    481434 0      C-13-H3C(O)CH3
  594241.5564  0.0041 -3.6099 3  546.3055792  595161404491535 0    481534 0      C-13-H3C(O)CH3
  594242.7770  0.0843 -5.6221 3 1241.9392C88  595161404801070 0    801071 0      C-13-H3C(O)CH3
  594242.7770  0.0843 -6.0147 3 1241.9392C88  595161404801170 0    801071 0      C-13-H3C(O)CH3
  594242.7770  0.0843 -5.6221 3 1241.9392C88  595161404801170 0    80 971 0      C-13-H3C(O)CH3
  594242.7770  0.0843 -6.0147 3 1241.9392C88  595161404801070 0    80 971 0      C-13-H3C(O)CH3
  594255.1879  0.0065 -3.8726 3  546.2782792  595161404491535 1    481534 1      C-13-H3C(O)CH3
  594255.1879  0.0065 -3.9251 3  546.2782792  595161404491535 1    481434 1      C-13-H3C(O)CH3
  594255.1879  0.0065 -3.9251 3  546.2782792  595161404491435 1    481534 1      C-13-H3C(O)CH3
  594255.1879  0.0065 -3.8726 3  546.2782792  595161404491435 1    481434 1      C-13-H3C(O)CH3
  594257.1916  0.0066 -3.5971 3  546.2775792  595161404491435 2    481534 2      C-13-H3C(O)CH3
  594257.1916  0.0066 -3.6000 3  546.2775792  595161404491535 2    481434 2      C-13-H3C(O)CH3
  594257.1916  0.0066 -5.7614 3  546.2775792  595161404491535 2    481534 2      C-13-H3C(O)CH3
  594264.3557  0.0103 -5.3278 3  131.9673360  5951614042218 5 2    2115 7 2      C-13-H3C(O)CH3
  594270.8372  0.0061 -3.9073 3  546.2501396  595161404491535 4    481434 4      C-13-H3C(O)CH3
  594270.8372  0.0061 -5.5731 3  546.2501396  595161404491535 4    481534 4      C-13-H3C(O)CH3
  594270.8372  0.0061 -5.5731 3  546.2501396  595161404491435 4    481434 4      C-13-H3C(O)CH3
  594270.8372  0.0061 -3.9073 3  546.2501396  595161404491435 4    481534 4      C-13-H3C(O)CH3
  594270.8526  0.0061 -5.0260 3  546.2502396  595161404491435 3    481534 3      C-13-H3C(O)CH3
  594270.8526  0.0061 -5.0260 3  546.2502396  595161404491535 3    481434 3      C-13-H3C(O)CH3
  594270.8526  0.0061 -3.9316 3  546.2502396  595161404491435 3    481434 3      C-13-H3C(O)CH3
  594270.8526  0.0061 -3.9316 3  546.2502396  595161404491535 3    481534 3      C-13-H3C(O)CH3
  594289.4955  0.0042 -4.1735 3  159.9368424  595161404261115 2    251016 2      C-13-H3C(O)CH3
  594294.2625  0.0042 -4.1735 3  159.9368424  595161404261215 2    25 916 2      C-13-H3C(O)CH3
  594309.9481  0.0107 -5.2944 3  132.0117360  5951614042218 5 0    2115 6 0      C-13-H3C(O)CH3
  594316.5179  0.0042 -4.1736 3  159.9387424  595161404261115 1    251016 1      C-13-H3C(O)CH3
  594321.0880  0.0042 -4.1736 3  159.9387424  595161404261215 1    25 916 1      C-13-H3C(O)CH3
  594352.0198  0.0037 -3.9289 3  595.8123460  59516140457 652 4    56 551 4      C-13-H3C(O)CH3
  594352.0198  0.0037 -4.3881 3  595.8123460  59516140457 552 4    56 551 4      C-13-H3C(O)CH3
  594352.0676  0.0037 -4.3881 3  595.8123460 -59516140457 652 4    56 651 4      C-13-H3C(O)CH3
  594352.0676  0.0037 -3.9289 3  595.8123460 -59516140457 552 4    56 651 4      C-13-H3C(O)CH3
  594352.0676  0.0037 -4.9900 3  595.8123460 -59516140457 652 3    56 651 3      C-13-H3C(O)CH3
  594352.0676  0.0037 -3.8284 3  595.8123460 -59516140457 552 3    56 651 3      C-13-H3C(O)CH3
  594352.0684  0.0037 -3.8284 3  595.8123460  59516140457 652 3    56 551 3      C-13-H3C(O)CH3
  594352.0684  0.0037 -4.9900 3  595.8123460  59516140457 552 3    56 551 3      C-13-H3C(O)CH3
  594377.2036  0.0054 -3.4986 3  595.8323920  59516140457 652 1    56 651 1      C-13-H3C(O)CH3
  594377.3182  0.0052 -3.9265 3  595.8320920 -59516140457 652 2    56 651 2      C-13-H3C(O)CH3
  594377.3182  0.0052 -3.7013 3  595.8320920 -59516140457 552 2    56 651 2      C-13-H3C(O)CH3
  594377.3182  0.0054 -3.4986 3  595.8323920 -59516140457 552 1    56 551 1      C-13-H3C(O)CH3
  594377.5158  0.0052 -3.7013 3  595.8320920  59516140457 652 2    56 551 2      C-13-H3C(O)CH3
  594377.5158  0.0052 -3.9265 3  595.8320920  59516140457 552 2    56 551 2      C-13-H3C(O)CH3
  594402.5309  0.0036 -4.1050 3  595.8520920 -59516140457 652 0    56 551 0      C-13-H3C(O)CH3
  594402.5309  0.0036 -4.1050 3  595.8520920 -59516140457 552 0    56 651 0      C-13-H3C(O)CH3
  594402.6225  0.0036 -3.6219 3  595.8520920  59516140457 552 0    56 551 0      C-13-H3C(O)CH3
  594402.6225  0.0036 -3.6219 3  595.8520920  59516140457 652 0    56 651 0      C-13-H3C(O)CH3
  594410.1601  0.0929 -6.2800 3 1241.9192C88  595161404801170 2    801071 2      C-13-H3C(O)CH3
  594410.1601  0.0929 -5.5479 3 1241.9192C88  595161404801170 2    80 971 2      C-13-H3C(O)CH3
  594410.1601  0.0929 -6.2800 3 1241.9192C88  595161404801070 2    80 971 2      C-13-H3C(O)CH3
  594410.1601  0.0929 -5.5479 3 1241.9192C88  595161404801070 2    801071 2      C-13-H3C(O)CH3
  594411.1311  0.0931 -5.5104 3 1241.9194C88  595161404801070 1    80 971 1      C-13-H3C(O)CH3
  594411.1311  0.0931 -5.5104 3 1241.9194C88  595161404801170 1    801071 1      C-13-H3C(O)CH3
  594415.7411  0.0068 -3.4123 3  283.5065244  5951614043029 2 4    2928 2 4      C-13-H3C(O)CH3
  594468.2065  0.0052 -3.1113 3  283.5807488 -5951614043029 2 2    2928 1 2      C-13-H3C(O)CH3
  594520.5654  0.0055 -3.1111 3  283.5656488 -5951614043029 2 1    2928 2 1      C-13-H3C(O)CH3
  594523.3977  0.0140 -6.2417 3  112.1042172  5951614042115 7 4    201010 4      C-13-H3C(O)CH3
  594527.7889  0.0044 -4.1731 3  159.9346424  595161404261115 0    251016 0      C-13-H3C(O)CH3
  594532.4965  0.0044 -4.1731 3  159.9346424  595161404261215 0    25 916 0      C-13-H3C(O)CH3
  594537.7673  0.0798 -5.6785 3  781.8233428  595161404533518 3    523616 3      C-13-H3C(O)CH3
  594573.6678  0.0051 -3.1112 3  283.6399488 -5951614043029 1 0    2928 1 0      C-13-H3C(O)CH3
  594573.6678  0.0051 -3.1112 3  283.6399488 -5951614043029 2 0    2928 2 0      C-13-H3C(O)CH3
  594576.0642  0.0595 -5.4542 3  781.8503428  595161404533518 4    523616 4      C-13-H3C(O)CH3
  594578.6525  0.0902 -5.8985 3 1241.8993644  595161404801070 3    80 971 3      C-13-H3C(O)CH3
  594578.6525  0.0902 -6.3804 3 1241.8993644  595161404801170 3    80 971 3      C-13-H3C(O)CH3
  594578.6525  0.0902 -5.8985 3 1241.8993644  595161404801170 3    801071 3      C-13-H3C(O)CH3
  594578.6525  0.0902 -6.3804 3 1241.8993644  595161404801070 3    801071 3      C-13-H3C(O)CH3
  594578.8319  0.0902 -5.9577 3 1241.8993644  595161404801070 4    80 971 4      C-13-H3C(O)CH3
  594578.8319  0.0902 -6.2385 3 1241.8993644  595161404801170 4    80 971 4      C-13-H3C(O)CH3
  594578.8319  0.0902 -5.9577 3 1241.8993644  595161404801170 4    801071 4      C-13-H3C(O)CH3
  594578.8319  0.0902 -6.2385 3 1241.8993644  595161404801070 4    801071 4      C-13-H3C(O)CH3
  594590.6591  0.0608 -5.1789 3  781.8104856  595161404533518 2    523616 2      C-13-H3C(O)CH3
  594623.4920  0.0087 -4.4425 3  205.9637228  595161404281811 4    271512 4      C-13-H3C(O)CH3
  594650.9699  0.0067 -3.4119 3  283.5010244  5951614043029 2 3    2928 2 3      C-13-H3C(O)CH3
  594665.4241  0.0102 -4.4422 3  205.9632228  595161404281811 3    271512 3      C-13-H3C(O)CH3
  594680.8206  0.0066 -3.4119 3  283.5237244  5951614043029 1 3    2928 1 3      C-13-H3C(O)CH3
  594703.9730  0.0051 -3.1109 3  283.5751488 -5951614043029 1 2    2928 2 2      C-13-H3C(O)CH3
  594705.7639  0.0733 -5.1964 3  781.7968856  595161404533518 1    523616 1      C-13-H3C(O)CH3
  594722.9552  0.0956 -5.8149 3  781.8171428  595161404533518 3    523617 3      C-13-H3C(O)CH3
  594734.7208  0.0093 -4.1414 3  205.9765456  595161404281811 1    271512 1      C-13-H3C(O)CH3
  594751.3529  0.0651 -5.7663 3 1193.8346C72  59516140479 970 0    79 871 0      C-13-H3C(O)CH3
  594751.3529  0.0651 -5.6753 3 1193.8346C72  59516140479 970 0    79 971 0      C-13-H3C(O)CH3
  594751.3529  0.0651 -5.7663 3 1193.8346C72  595161404791070 0    79 971 0      C-13-H3C(O)CH3
  594751.3529  0.0651 -5.6753 3 1193.8346C72  595161404791070 0    79 871 0      C-13-H3C(O)CH3
  594786.1915  0.0052 -3.1108 3  283.5828488 -5951614043029 1 1    2928 1 1      C-13-H3C(O)CH3
  594901.6014  0.0793 -5.9848 3 1193.8087C72  59516140479 970 2    79 871 2      C-13-H3C(O)CH3
  594901.6014  0.0793 -5.5541 3 1193.8087C72  59516140479 970 2    79 971 2      C-13-H3C(O)CH3
  594901.6014  0.0793 -5.9848 3 1193.8087C72  595161404791070 2    79 971 2      C-13-H3C(O)CH3
  594901.6014  0.0793 -5.5541 3 1193.8087C72  595161404791070 2    79 871 2      C-13-H3C(O)CH3
  594902.6502  0.0815 -6.3519 3 1193.8089C72  595161404791070 1    79 971 1      C-13-H3C(O)CH3
  594902.6502  0.0815 -5.4707 3 1193.8089C72  59516140479 970 1    79 971 1      C-13-H3C(O)CH3
  594902.6502  0.0815 -6.3519 3 1193.8089C72  59516140479 970 1    79 871 1      C-13-H3C(O)CH3
  594902.6502  0.0815 -5.4707 3 1193.8089C72  595161404791070 1    79 871 1      C-13-H3C(O)CH3
  594915.8356  0.0070 -3.4115 3  283.5181244  5951614043029 1 4    2928 1 4      C-13-H3C(O)CH3
  594919.0188  0.0487 -5.3122 3  761.1967856  595161404533123 0    523220 0      C-13-H3C(O)CH3
  594972.4375  0.0684 -5.1393 3  781.7565856  595161404533518 0    523617 0      C-13-H3C(O)CH3
  595023.8002  0.0088 -4.1436 3  205.9656456  595161404281811 2    271512 2      C-13-H3C(O)CH3
  595053.0034  0.0809 -5.7371 3 1193.7830636  595161404791070 3    79 971 3      C-13-H3C(O)CH3
  595053.0034  0.0809 -5.7220 3 1193.7830636  59516140479 970 3    79 871 3      C-13-H3C(O)CH3
  595053.0892  0.0809 -5.8887 3 1193.7829636  595161404791070 4    79 971 4      C-13-H3C(O)CH3
  595053.0892  0.0809 -5.8887 3 1193.7829636  59516140479 970 4    79 871 4      C-13-H3C(O)CH3
  595053.0892  0.0809 -6.2053 3 1193.7829636  595161404791070 4    79 871 4      C-13-H3C(O)CH3
  595053.0892  0.0809 -6.2053 3 1193.7829636  59516140479 970 4    79 971 4      C-13-H3C(O)CH3
  595107.5655  0.0090 -4.1436 3  205.9788456  595161404281811 0    271512 0      C-13-H3C(O)CH3
  595215.5810  0.0473 -5.3071 3  761.1849856  595161404533123 1    523220 1      C-13-H3C(O)CH3
  595240.0780  0.0041 -3.6404 3  556.2075808 -595161404501337 0    491436 0      C-13-H3C(O)CH3
  595240.0780  0.0041 -4.5258 3  556.2075808 -595161404501437 0    491436 0      C-13-H3C(O)CH3
  595240.0780  0.0041 -3.6404 3  556.2075808 -595161404501437 0    491336 0      C-13-H3C(O)CH3
  595240.0780  0.0041 -4.5258 3  556.2075808 -595161404501337 0    491336 0      C-13-H3C(O)CH3
  595244.3532  0.0105 -5.2938 3  131.9806360  5951614042218 4 0    2115 7 0      C-13-H3C(O)CH3
  595250.7357  0.0069 -3.7599 3  556.1794808 -595161404501437 1    491436 1      C-13-H3C(O)CH3
  595250.7357  0.0069 -4.0710 3  556.1794808 -595161404501337 1    491436 1      C-13-H3C(O)CH3
  595250.7357  0.0069 -4.0710 3  556.1794808 -595161404501437 1    491336 1      C-13-H3C(O)CH3
  595250.7357  0.0069 -3.7599 3  556.1794808 -595161404501337 1    491336 1      C-13-H3C(O)CH3
  595252.4642  0.0069 -3.5949 3  556.1787808 -595161404501337 2    491436 2      C-13-H3C(O)CH3
  595252.4642  0.0069 -5.3394 3  556.1787808 -595161404501437 2    491436 2      C-13-H3C(O)CH3
  595252.4642  0.0069 -5.3394 3  556.1787808 -595161404501337 2    491336 2      C-13-H3C(O)CH3
  595252.4642  0.0069 -3.5949 3  556.1787808 -595161404501437 2    491336 2      C-13-H3C(O)CH3
  595263.0000  0.0060 -4.8833 3  556.1505404 -595161404501337 4    491336 4      C-13-H3C(O)CH3
  595263.0000  0.0060 -4.8833 3  556.1505404 -595161404501437 4    491436 4      C-13-H3C(O)CH3
  595263.0000  0.0060 -3.9578 3  556.1506404 -595161404501437 3    491436 3      C-13-H3C(O)CH3
  595263.0000  0.0060 -3.9345 3  556.1505404 -595161404501437 4    491336 4      C-13-H3C(O)CH3
  595263.0000  0.0060 -4.7172 3  556.1506404 -595161404501437 3    491336 3      C-13-H3C(O)CH3
  595263.0000  0.0060 -3.9345 3  556.1505404 -595161404501337 4    491436 4      C-13-H3C(O)CH3
  595263.0000  0.0060 -3.9578 3  556.1506404 -595161404501337 3    491336 3      C-13-H3C(O)CH3
  595263.0000  0.0060 -4.7172 3  556.1506404 -595161404501337 3    491436 3      C-13-H3C(O)CH3
  595270.8133  0.0571 -5.3699 3 1146.3078C56  59516140478 870 0    78 871 0      C-13-H3C(O)CH3
  595270.8133  0.0571 -5.3699 3 1146.3078C56  59516140478 970 0    78 771 0      C-13-H3C(O)CH3
  595286.8739  0.0140 -3.8452 3  406.3348632  595161404392317 1    382216 1      C-13-H3C(O)CH3
  595293.1131  0.0125 -3.8454 3  406.3557632 -595161404392317 0    382216 0      C-13-H3C(O)CH3
  595324.0512  0.0718 -5.3052 3  761.1798856  595161404533123 2    523220 2      C-13-H3C(O)CH3
  595386.2692  0.0894 -5.5004 3 1146.2775C56  59516140478 970 2    78 771 2      C-13-H3C(O)CH3
  595386.2692  0.0894 -5.9431 3 1146.2775C56  59516140478 870 2    78 771 2      C-13-H3C(O)CH3
  595386.2692  0.0894 -5.9431 3 1146.2775C56  59516140478 970 2    78 871 2      C-13-H3C(O)CH3
  595386.2692  0.0894 -5.5004 3 1146.2775C56  59516140478 870 2    78 871 2      C-13-H3C(O)CH3
  595386.8695  0.0920 -5.4655 3 1146.2776C56  59516140478 970 1    78 771 1      C-13-H3C(O)CH3
  595386.8695  0.0920 -6.0575 3 1146.2776C56  59516140478 970 1    78 871 1      C-13-H3C(O)CH3
  595386.8695  0.0920 -5.4655 3 1146.2776C56  59516140478 870 1    78 871 1      C-13-H3C(O)CH3
  595386.8695  0.0920 -6.0575 3 1146.2776C56  59516140478 870 1    78 771 1      C-13-H3C(O)CH3
  595483.3876  0.0035 -3.8324 3  600.7801468  59516140458 454 4    57 453 4      C-13-H3C(O)CH3
  595483.3876  0.0035 -4.8159 3  600.7801468  59516140458 554 4    57 453 4      C-13-H3C(O)CH3
  595483.4228  0.0035 -5.0215 3  600.7801468  59516140458 454 3    57 453 3      C-13-H3C(O)CH3
  595483.4228  0.0035 -3.8157 3  600.7801468  59516140458 554 3    57 453 3      C-13-H3C(O)CH3
  595483.4232  0.0035 -3.8324 3  600.7801468 -59516140458 554 4    57 553 4      C-13-H3C(O)CH3
  595483.4232  0.0035 -4.8159 3  600.7801468 -59516140458 454 4    57 553 4      C-13-H3C(O)CH3
  595483.4232  0.0035 -3.8157 3  600.7801468 -59516140458 454 3    57 553 3      C-13-H3C(O)CH3
  595483.4232  0.0035 -5.0215 3  600.7801468 -59516140458 554 3    57 553 3      C-13-H3C(O)CH3
  595502.3333  0.0734 -5.6864 3 1146.2472628  59516140478 870 4    78 871 4      C-13-H3C(O)CH3
  595502.3333  0.0734 -5.6864 3 1146.2472628  59516140478 970 4    78 771 4      C-13-H3C(O)CH3
  595502.3890  0.0733 -6.0441 3 1146.2472628  59516140478 970 3    78 871 3      C-13-H3C(O)CH3
  595502.3890  0.0733 -5.9039 3 1146.2472628  59516140478 870 3    78 871 3      C-13-H3C(O)CH3
  595502.3890  0.0733 -5.9039 3 1146.2472628  59516140478 970 3    78 771 3      C-13-H3C(O)CH3
  595502.3890  0.0733 -6.0441 3 1146.2472628  59516140478 870 3    78 771 3      C-13-H3C(O)CH3
  595511.4216  0.0049 -5.1205 3  600.7929936  59516140458 554 1    57 553 1      C-13-H3C(O)CH3
  595511.4216  0.0049 -3.4987 3  600.7929936  59516140458 454 1    57 553 1      C-13-H3C(O)CH3
  595511.6013  0.0049 -5.1205 3  600.7929936 -59516140458 454 1    57 453 1      C-13-H3C(O)CH3
  595511.6013  0.0049 -3.4987 3  600.7929936 -59516140458 554 1    57 453 1      C-13-H3C(O)CH3
  595511.6013  0.0047 -3.5752 3  600.7925936 -59516140458 554 2    57 453 2      C-13-H3C(O)CH3
  595511.6013  0.0047 -3.5752 3  600.7925936 -59516140458 454 2    57 553 2      C-13-H3C(O)CH3
  595511.6188  0.0047 -4.2309 3  600.7925936  59516140458 554 2    57 553 2      C-13-H3C(O)CH3
  595511.6188  0.0047 -4.2309 3  600.7925936  59516140458 454 2    57 453 2      C-13-H3C(O)CH3
  595515.9031  0.0975 -6.0501 3  781.7698856  595161404533518 1    523617 1      C-13-H3C(O)CH3
  595539.5792  0.0036 -3.5772 3  600.8053936  59516140458 454 0    57 553 0      C-13-H3C(O)CH3
  595539.5792  0.0036 -4.2217 3  600.8053936  59516140458 554 0    57 553 0      C-13-H3C(O)CH3
  595539.5832  0.0036 -4.2217 3  600.8053936 -59516140458 454 0    57 453 0      C-13-H3C(O)CH3
  595539.5832  0.0036 -3.5772 3  600.8053936 -59516140458 554 0    57 453 0      C-13-H3C(O)CH3
  595565.2629  0.0162 -4.1461 3  406.2988316  595161404392317 4    382216 4      C-13-H3C(O)CH3
  595576.6958  0.0181 -4.1461 3  406.2986316  595161404392317 3    382216 3      C-13-H3C(O)CH3
  595581.3962  0.0159 -3.8452 3  406.3195632  595161404392317 2    382216 2      C-13-H3C(O)CH3
  595582.7958  0.0682 -5.6017 3  761.1692428  595161404533123 4    523220 4      C-13-H3C(O)CH3
  595583.7116  0.1018 -6.2012 3  781.7773856  595161404533518 2    523617 2      C-13-H3C(O)CH3
  595641.5710  0.0757 -5.6007 3  761.1675428  595161404533123 3    523220 3      C-13-H3C(O)CH3
  595651.8604  0.0105 -5.8918 3  112.0894344  5951614042115 7 1    201010 1      C-13-H3C(O)CH3
  595718.9282  0.0081 -6.0801 3  112.1040172  5951614042115 7 3    201010 3      C-13-H3C(O)CH3
  595745.0564  0.0218 -5.3577 3  166.4034204  5951614042518 8 4    2415 9 4      C-13-H3C(O)CH3
  595807.2739  0.0589 -6.3722 3 1099.3585C40  59516140477 770 0    77 671 0      C-13-H3C(O)CH3
  595807.2739  0.0589 -6.3722 3 1099.3585C40  59516140477 870 0    77 771 0      C-13-H3C(O)CH3
  595807.2739  0.0589 -5.3650 3 1099.3585C40  59516140477 870 0    77 671 0      C-13-H3C(O)CH3
  595807.2739  0.0589 -5.3650 3 1099.3585C40  59516140477 770 0    77 771 0      C-13-H3C(O)CH3
  595865.5912  0.1103 -5.3522 3 1099.3261C40  59516140477 870 1    77 771 1      C-13-H3C(O)CH3
  595865.5912  0.1103 -5.3522 3 1099.3261C40  59516140477 770 1    77 671 1      C-13-H3C(O)CH3
  595865.8610  0.1084 -5.7510 3 1099.3260C40  59516140477 870 2    77 671 2      C-13-H3C(O)CH3
  595865.8610  0.1084 -5.5277 3 1099.3260C40  59516140477 870 2    77 771 2      C-13-H3C(O)CH3
  595865.8610  0.1084 -5.5277 3 1099.3260C40  59516140477 770 2    77 671 2      C-13-H3C(O)CH3
  595865.8610  0.1084 -5.7510 3 1099.3260C40  59516140477 770 2    77 771 2      C-13-H3C(O)CH3
  595892.9568  0.0111 -6.1493 3  448.9390680  595161404421923 0    421626 0      C-13-H3C(O)CH3
  595893.3063  0.0111 -6.1493 3  448.9390680  595161404422023 0    421726 0      C-13-H3C(O)CH3
  595912.5751  0.0190 -6.3810 3  131.9673360  5951614042218 4 2    2115 7 2      C-13-H3C(O)CH3
  595923.9491  0.0672 -5.6791 3 1099.2935620  59516140477 870 4    77 671 4      C-13-H3C(O)CH3
  595923.9491  0.0672 -5.6791 3 1099.2935620  59516140477 770 4    77 771 4      C-13-H3C(O)CH3
  595924.1932  0.0672 -5.6391 3 1099.2935620  59516140477 870 3    77 771 3      C-13-H3C(O)CH3
  595924.1932  0.0672 -5.6391 3 1099.2935620  59516140477 770 3    77 671 3      C-13-H3C(O)CH3
  595953.2006  0.0133 -6.1497 3  448.9104680  595161404421923 2    421626 2      C-13-H3C(O)CH3
  595953.5814  0.0133 -6.1497 3  448.9104680  595161404422023 2    421726 2      C-13-H3C(O)CH3
  595977.4945  0.0123 -6.1481 3  448.9120680  595161404421923 1    421626 1      C-13-H3C(O)CH3
  595977.8614  0.0123 -6.1481 3  448.9120680  595161404422023 1    421726 1      C-13-H3C(O)CH3
  595978.9616  0.0061 -3.8040 3  445.5247664 -595161404412319 0    402218 0      C-13-H3C(O)CH3
  596005.5753  0.0066 -3.8040 3  445.5023664  595161404412319 1    402218 1      C-13-H3C(O)CH3
  596059.2440  0.0099 -5.8738 3  112.0849344  5951614042115 7 2    201010 2      C-13-H3C(O)CH3
  596098.1420  0.0066 -3.8042 3  445.4943664  595161404412319 2    402218 2      C-13-H3C(O)CH3
  596101.3649  0.0607 -6.0737 3 1091.3768984  595161404614715 0    604812 0      C-13-H3C(O)CH3
  596101.3650  0.0607 -6.0737 3 1091.3768984  595161404614714 0    604813 0      C-13-H3C(O)CH3
  596107.9616  0.0045 -3.4887 3  286.7777252  5951614043127 4 4    3026 4 4      C-13-H3C(O)CH3
  596122.0459  0.0064 -4.1052 3  445.4720332  595161404412319 4    402218 4      C-13-H3C(O)CH3
  596125.9401  0.0073 -4.1052 3  445.4719332  595161404412319 3    402218 3      C-13-H3C(O)CH3
  596173.4847  0.0785 -6.0738 3 1091.3847984  595161404614715 1    604813 1      C-13-H3C(O)CH3
  596182.1123  0.0205 -6.1073 3  634.1576792  595161404492524 0    492227 0      C-13-H3C(O)CH3
  596198.1963  0.0038 -3.1875 3  286.8128504 -5951614043127 5 1    3026 4 1      C-13-H3C(O)CH3
  596201.1897  0.0037 -3.1875 3  286.8316504 -5951614043127 4 2    3026 4 2      C-13-H3C(O)CH3
  596225.1487  0.0205 -6.1072 3  634.1576792  595161404492624 0    492327 0      C-13-H3C(O)CH3
  596249.0314  0.0317 -6.1071 3  634.1428792  595161404492524 2    492227 2      C-13-H3C(O)CH3
  596270.8878  0.0225 -6.1063 3  634.1440792  595161404492524 1    492227 1      C-13-H3C(O)CH3
  596271.1587  0.0041 -3.5955 3  565.5545824 -595161404511239 0    501338 0      C-13-H3C(O)CH3
  596271.1587  0.0041 -4.9825 3  565.5545824 -595161404511339 0    501338 0      C-13-H3C(O)CH3
  596271.1587  0.0041 -3.5955 3  565.5545824 -595161404511339 0    501238 0      C-13-H3C(O)CH3
  596271.1587  0.0041 -4.9825 3  565.5545824 -595161404511239 0    501238 0      C-13-H3C(O)CH3
  596278.3476  0.0073 -4.0151 3  565.5255824 -595161404511239 1    501338 1      C-13-H3C(O)CH3
  596278.3476  0.0073 -3.7756 3  565.5255824 -595161404511339 1    501338 1      C-13-H3C(O)CH3
  596278.3476  0.0073 -4.0151 3  565.5255824 -595161404511339 1    501238 1      C-13-H3C(O)CH3
  596278.3476  0.0073 -3.7756 3  565.5255824 -595161404511239 1    501238 1      C-13-H3C(O)CH3
  596279.8384  0.0073 -3.7270 3  565.5249824 -595161404511339 2    501338 2      C-13-H3C(O)CH3
  596279.8384  0.0073 -4.1151 3  565.5249824 -595161404511339 2    501238 2      C-13-H3C(O)CH3
  596279.8384  0.0073 -3.7270 3  565.5249824 -595161404511239 2    501238 2      C-13-H3C(O)CH3
  596279.8384  0.0073 -4.1151 3  565.5249824 -595161404511239 2    501338 2      C-13-H3C(O)CH3
  596283.6352  0.0044 -3.4885 3  286.7643252  5951614043127 5 3    3026 5 3      C-13-H3C(O)CH3
  596286.8681  0.0059 -3.9018 3  565.4959412 -595161404511239 4    501338 4      C-13-H3C(O)CH3
  596286.8681  0.0059 -5.1050 3  565.4960412 -595161404511239 3    501238 3      C-13-H3C(O)CH3
  596286.8681  0.0059 -4.7637 3  565.4960412 -595161404511339 3    501338 3      C-13-H3C(O)CH3
  596286.8681  0.0059 -3.9056 3  565.4960412 -595161404511339 3    501238 3      C-13-H3C(O)CH3
  596286.8681  0.0059 -5.1703 3  565.4959412 -595161404511339 4    501338 4      C-13-H3C(O)CH3
  596286.8681  0.0059 -3.9397 3  565.4960412 -595161404511239 3    501338 3      C-13-H3C(O)CH3
  596286.8681  0.0059 -3.9018 3  565.4959412 -595161404511339 4    501238 4      C-13-H3C(O)CH3
  596286.8681  0.0059 -5.1703 3  565.4959412 -595161404511239 4    501238 4      C-13-H3C(O)CH3
  596291.7225  0.0035 -3.1873 3  286.8665504 -5951614043127 4 0    3026 5 0      C-13-H3C(O)CH3
  596291.7225  0.0035 -3.1873 3  286.8665504 -5951614043127 5 0    3026 4 0      C-13-H3C(O)CH3
  596295.0210  0.0313 -6.1071 3  634.1428792  595161404492624 2    492327 2      C-13-H3C(O)CH3
  596305.3345  0.0771 -6.0738 3 1091.4083984  595161404614714 1    604812 1      C-13-H3C(O)CH3
  596314.9929  0.0618 -5.8621 3 1052.9232612  59516140476 770 4    76 571 4      C-13-H3C(O)CH3
  596314.9929  0.0618 -5.9279 3 1052.9232612  59516140476 670 4    76 571 4      C-13-H3C(O)CH3
  596314.9929  0.0618 -5.8621 3 1052.9232612  59516140476 670 4    76 671 4      C-13-H3C(O)CH3
  596314.9929  0.0618 -5.9279 3 1052.9232612  59516140476 770 4    76 671 4      C-13-H3C(O)CH3
  596315.4552  0.0618 -5.7716 3 1052.9232612  59516140476 670 3    76 671 3      C-13-H3C(O)CH3
  596315.4552  0.0618 -6.0643 3 1052.9232612  59516140476 770 3    76 671 3      C-13-H3C(O)CH3
  596315.4552  0.0618 -6.0643 3 1052.9232612  59516140476 670 3    76 571 3      C-13-H3C(O)CH3
  596315.4552  0.0618 -5.7716 3 1052.9232612  59516140476 770 3    76 571 3      C-13-H3C(O)CH3
  596316.2082  0.0226 -6.1063 3  634.1440792  595161404492624 1    492327 1      C-13-H3C(O)CH3
  596321.3958  0.0714 -5.7325 3  887.0317452  595161404563918 4    554016 4      C-13-H3C(O)CH3
  596331.3790  0.0718 -5.4316 3  887.0011904  595161404563918 2    554016 2      C-13-H3C(O)CH3
  596336.0826  0.0743 -6.0740 3 1091.3809984  595161404614715 2    604813 2      C-13-H3C(O)CH3
  596340.8321  0.1229 -6.2949 3 1052.9549C24  59516140476 770 1    76 571 1      C-13-H3C(O)CH3
  596340.8321  0.1229 -5.3371 3 1052.9549C24  59516140476 670 1    76 571 1      C-13-H3C(O)CH3
  596340.8321  0.1229 -6.2949 3 1052.9549C24  59516140476 670 1    76 671 1      C-13-H3C(O)CH3
  596340.8321  0.1229 -5.3371 3 1052.9549C24  59516140476 770 1    76 671 1      C-13-H3C(O)CH3
  596342.1919  0.1220 -5.3299 3 1052.9548C24  59516140476 770 2    76 571 2      C-13-H3C(O)CH3
  596342.1919  0.1220 -6.3668 3 1052.9548C24  59516140476 770 2    76 671 2      C-13-H3C(O)CH3
  596342.1919  0.1220 -5.3299 3 1052.9548C24  59516140476 670 2    76 671 2      C-13-H3C(O)CH3
  596342.1919  0.1220 -6.3668 3 1052.9548C24  59516140476 670 2    76 571 2      C-13-H3C(O)CH3
  596344.4145  0.0044 -3.4883 3  286.7751252  5951614043127 4 3    3026 4 3      C-13-H3C(O)CH3
  596355.0759  0.0867 -6.0738 3 1091.4159984  595161404614714 2    604812 2      C-13-H3C(O)CH3
  596367.5214  0.0632 -5.2979 3 1052.9865C24  59516140476 770 0    76 671 0      C-13-H3C(O)CH3
  596367.5214  0.0632 -5.2919 3 1052.9865C24  59516140476 670 0    76 571 0      C-13-H3C(O)CH3
  596376.6062  0.0036 -3.1873 3  286.8181504 -5951614043127 5 2    3026 5 2      C-13-H3C(O)CH3
  596409.8312  0.0993 -6.3751 3 1091.3888492  595161404614715 4    604813 4      C-13-H3C(O)CH3
  596427.8641  0.1067 -6.3750 3 1091.4238492  595161404614714 3    604812 3      C-13-H3C(O)CH3
  596434.1422  0.0036 -3.1871 3  286.8101504 -5951614043127 4 1    3026 5 1      C-13-H3C(O)CH3
  596468.2875  0.0793 -5.4316 3  886.9898904  595161404563918 1    554016 1      C-13-H3C(O)CH3
  596474.7070  0.0779 -5.4316 3  886.9591904  595161404563918 0    554015 0      C-13-H3C(O)CH3
  596484.4614  0.0779 -5.4315 3  886.9591904  595161404563917 0    554016 0      C-13-H3C(O)CH3
  596519.1776  0.0049 -3.4881 3  286.7617252  5951614043127 5 4    3026 5 4      C-13-H3C(O)CH3
  596540.3017  0.0650 -5.7333 3  887.0384452  595161404563918 3    554015 3      C-13-H3C(O)CH3
  596541.3430  0.0983 -6.3751 3 1091.4125492  595161404614715 3    604813 3      C-13-H3C(O)CH3
  596559.9685  0.1159 -6.3750 3 1091.4474492  595161404614714 4    604812 4      C-13-H3C(O)CH3
  596624.0115  0.0033 -4.1602 3  605.2132476  59516140459 356 4    58 455 4      C-13-H3C(O)CH3
  596624.0115  0.0033 -4.0127 3  605.2132476  59516140459 456 4    58 455 4      C-13-H3C(O)CH3
  596624.0276  0.0033 -3.7826 3  605.2132476  59516140459 456 3    58 355 3      C-13-H3C(O)CH3
  596624.0276  0.0033 -5.8803 3  605.2132476  59516140459 356 3    58 355 3      C-13-H3C(O)CH3
  596624.0586  0.0033 -4.1602 3  605.2132476 -59516140459 456 4    58 355 4      C-13-H3C(O)CH3
  596624.0586  0.0033 -3.7826 3  605.2132476 -59516140459 356 3    58 455 3      C-13-H3C(O)CH3
  596624.0586  0.0033 -4.0127 3  605.2132476 -59516140459 356 4    58 355 4      C-13-H3C(O)CH3
  596624.0586  0.0033 -5.8803 3  605.2132476 -59516140459 456 3    58 455 3      C-13-H3C(O)CH3
  596632.7049  0.0168 -6.3878 3  115.2461164  5951614042019 2 3    1916 3 3      C-13-H3C(O)CH3
  596646.0431  0.0153 -5.0132 3  166.4046408  5951614042518 8 1    2415 9 1      C-13-H3C(O)CH3
  596652.8190  0.0049 -5.2931 3  605.2153952  59516140459 356 1    58 455 1      C-13-H3C(O)CH3
  596652.8190  0.0049 -5.2931 3  605.2153952  59516140459 456 1    58 355 1      C-13-H3C(O)CH3
  596652.8920  0.0048 -3.6498 3  605.2149952 -59516140459 456 2    58 455 2      C-13-H3C(O)CH3
  596652.8920  0.0049 -3.4848 3  605.2153952 -59516140459 356 1    58 355 1      C-13-H3C(O)CH3
  596652.8920  0.0049 -3.4848 3  605.2153952 -59516140459 456 1    58 455 1      C-13-H3C(O)CH3
  596652.8920  0.0048 -3.9644 3  605.2149952 -59516140459 356 2    58 455 2      C-13-H3C(O)CH3
  596652.8994  0.0048 -3.9644 3  605.2149952  59516140459 456 2    58 355 2      C-13-H3C(O)CH3
  596652.8994  0.0048 -3.6498 3  605.2149952  59516140459 356 2    58 355 2      C-13-H3C(O)CH3
  596656.1267  0.0193 -6.3929 3  115.3131164  5951614042019 1 4    1916 3 4      C-13-H3C(O)CH3
  596672.2060  0.0569 -5.9196 3 1007.1378604  59516140475 570 4    75 571 4      C-13-H3C(O)CH3
  596672.2060  0.0569 -5.8345 3 1007.1378604  59516140475 570 4    75 471 4      C-13-H3C(O)CH3
  596672.2060  0.0569 -5.8345 3 1007.1378604  59516140475 670 4    75 571 4      C-13-H3C(O)CH3
  596672.2060  0.0569 -5.9196 3 1007.1378604  59516140475 670 4    75 471 4      C-13-H3C(O)CH3
  596672.8716  0.0568 -5.5771 3 1007.1378604  59516140475 570 3    75 471 3      C-13-H3C(O)CH3
  596672.8716  0.0568 -5.5771 3 1007.1378604  59516140475 670 3    75 571 3      C-13-H3C(O)CH3
  596681.5808  0.0037 -3.9057 3  605.2169952 -59516140459 456 0    58 355 0      C-13-H3C(O)CH3
  596681.5808  0.0037 -3.6813 3  605.2169952 -59516140459 456 0    58 455 0      C-13-H3C(O)CH3
  596681.5808  0.0037 -3.6813 3  605.2169952 -59516140459 356 0    58 355 0      C-13-H3C(O)CH3
  596681.5808  0.0037 -3.9057 3  605.2169952 -59516140459 356 0    58 455 0      C-13-H3C(O)CH3
  596683.8865  0.0574 -5.7334 3  887.0369452  595161404563917 3    554016 3      C-13-H3C(O)CH3
  596689.1110  0.0745 -5.4314 3  886.9964904  595161404563917 1    554015 1      C-13-H3C(O)CH3
  596694.9221  0.0650 -5.4315 3  887.0062904  595161404563917 2    554015 2      C-13-H3C(O)CH3
  596732.1600  0.0185 -5.1763 3  166.4031204  5951614042518 8 3    2415 9 3      C-13-H3C(O)CH3
  596734.5627  0.0217 -3.9936 3  298.8935268  595161404332311 3    322210 3      C-13-H3C(O)CH3
  596765.5428  0.0240 -6.1293 3  142.7954188  5951614042318 6 4    2215 7 4      C-13-H3C(O)CH3
  596810.1842  0.0109 -3.5764 3  298.9128536  595161404332311 1    322210 1      C-13-H3C(O)CH3
  596814.8339  0.1225 -5.2728 3 1007.1645C08  59516140475 670 1    75 471 1      C-13-H3C(O)CH3
  596814.8339  0.1225 -5.2728 3 1007.1645C08  59516140475 570 1    75 571 1      C-13-H3C(O)CH3
  596817.1885  0.1221 -5.2727 3 1007.1642C08  59516140475 570 2    75 471 2      C-13-H3C(O)CH3
  596817.1885  0.1221 -5.2727 3 1007.1642C08  59516140475 670 2    75 571 2      C-13-H3C(O)CH3
  596868.5377  0.0685 -5.6625 3  964.0341936  595161404584217 0    574314 0      C-13-H3C(O)CH3
  596868.6867  0.0685 -5.6625 3  964.0341936  595161404584216 0    574315 0      C-13-H3C(O)CH3
  596885.4248  0.0107 -3.7790 3  298.8921268  595161404332311 4    322210 4      C-13-H3C(O)CH3
  596894.8519  0.0073 -5.7671 3  112.0703344  5951614042115 7 0    201010 0      C-13-H3C(O)CH3
  596904.9366  0.0653 -5.7323 3  887.0435452  595161404563917 4    554015 4      C-13-H3C(O)CH3
  596913.5652  0.0676 -5.6625 3  964.0820936  595161404584216 2    574314 2      C-13-H3C(O)CH3
  596930.9228  0.0172 -6.3840 3  115.1742164  5951614042019 2 4    1916 4 4      C-13-H3C(O)CH3
  596947.1036  0.0086 -3.4842 3  298.9173536  595161404332311 2    322210 2      C-13-H3C(O)CH3
  596953.4457  0.0175 -6.3892 3  115.2410164  5951614042019 1 3    1916 4 3      C-13-H3C(O)CH3
  596957.0931  0.0033 -3.4423 3  298.9371536 -595161404332311 0    322210 0      C-13-H3C(O)CH3
  596959.0077  0.0636 -5.5371 3 1007.1908C08  59516140475 670 0    75 471 0      C-13-H3C(O)CH3
  596959.0077  0.0636 -5.6133 3 1007.1908C08  59516140475 670 0    75 571 0      C-13-H3C(O)CH3
  596959.0077  0.0636 -5.6133 3 1007.1908C08  59516140475 570 0    75 471 0      C-13-H3C(O)CH3
  596959.0077  0.0636 -5.5371 3 1007.1908C08  59516140475 570 0    75 571 0      C-13-H3C(O)CH3
  596992.0432  0.0541 -6.3795 3  961.9390596  59516140474 470 4    74 471 4      C-13-H3C(O)CH3
  596992.0432  0.0541 -5.6481 3  961.9390596  59516140474 570 4    74 471 4      C-13-H3C(O)CH3
  596992.0432  0.0541 -6.3795 3  961.9390596  59516140474 570 4    74 371 4      C-13-H3C(O)CH3
  596992.0432  0.0541 -5.6481 3  961.9390596  59516140474 470 4    74 371 4      C-13-H3C(O)CH3
  596992.8075  0.0540 -5.6920 3  961.9390596  59516140474 570 3    74 371 3      C-13-H3C(O)CH3
  596992.8075  0.0540 -6.1979 3  961.9390596  59516140474 570 3    74 471 3      C-13-H3C(O)CH3
  596992.8075  0.0540 -6.1979 3  961.9390596  59516140474 470 3    74 371 3      C-13-H3C(O)CH3
  596992.8075  0.0540 -5.6920 3  961.9390596  59516140474 470 3    74 471 3      C-13-H3C(O)CH3
  596998.6908  0.0708 -5.6625 3  964.0702936  595161404584216 1    574314 1      C-13-H3C(O)CH3
  597044.1326  0.0732 -5.9635 3  964.1182468  595161404584216 4    574314 4      C-13-H3C(O)CH3
  597093.5101  0.0646 -5.6625 3  964.0618936  595161404584217 1    574315 1      C-13-H3C(O)CH3
  597127.7734  0.2848 -6.3268 3 1789.2382E64  595161404912171 1    911972 1      C-13-H3C(O)CH3
  597127.7734  0.2848 -6.3268 3 1789.2382E64  595161404912071 1    912072 1      C-13-H3C(O)CH3
  597138.2261  0.0724 -5.9634 3  964.1098468  595161404584216 3    574314 3      C-13-H3C(O)CH3
  597154.1610  0.2595 -6.3248 3 1789.2163E64  595161404912071 0    911972 0      C-13-H3C(O)CH3
  597167.4056  0.0637 -5.6626 3  964.0672936  595161404584217 2    574315 2      C-13-H3C(O)CH3
  597207.1957  0.1307 -6.3166 3  943.1135952  595161404593426 2    593129 2      C-13-H3C(O)CH3
  597209.3161  0.1156 -6.3165 3  943.1126952  595161404593426 1    593129 1      C-13-H3C(O)CH3
  597257.0803  0.0173 -5.8344 3  166.4031204  5951614042518 7 3    2415 9 3      C-13-H3C(O)CH3
  597269.0913  0.0052 -4.8521 3  298.8921268  595161404332310 4    322210 4      C-13-H3C(O)CH3
  597270.7180  0.0591 -5.8219 3  917.3285588  59516140473 370 4    73 371 4      C-13-H3C(O)CH3
  597270.7180  0.0591 -6.0068 3  917.3285588  59516140473 370 4    73 271 4      C-13-H3C(O)CH3
  597270.7180  0.0591 -6.0068 3  917.3285588  59516140473 470 4    73 371 4      C-13-H3C(O)CH3
  597270.7180  0.0591 -5.8219 3  917.3285588  59516140473 470 4    73 271 4      C-13-H3C(O)CH3
  597271.3172  0.0587 -6.0023 3  917.3284588  59516140473 470 3    73 371 3      C-13-H3C(O)CH3
  597271.3172  0.0587 -6.0023 3  917.3284588  59516140473 370 3    73 271 3      C-13-H3C(O)CH3
  597271.3172  0.0587 -5.8249 3  917.3284588  59516140473 470 3    73 271 3      C-13-H3C(O)CH3
  597271.3172  0.0587 -5.8249 3  917.3284588  59516140473 370 3    73 371 3      C-13-H3C(O)CH3
  597273.7844  0.0035 -4.0198 3  298.9128536  595161404332310 1    322210 1      C-13-H3C(O)CH3
  597275.9778  0.1124 -6.3168 3  943.1042952  595161404593426 0    593129 0      C-13-H3C(O)CH3
  597290.0698  0.1062 -5.3227 3  961.9551B92  59516140474 470 1    74 371 1      C-13-H3C(O)CH3
  597290.0698  0.1062 -6.2355 3  961.9551B92  59516140474 470 1    74 471 1      C-13-H3C(O)CH3
  597290.0698  0.1062 -6.2355 3  961.9551B92  59516140474 570 1    74 371 1      C-13-H3C(O)CH3
  597290.0698  0.1062 -5.3227 3  961.9551B92  59516140474 570 1    74 471 1      C-13-H3C(O)CH3
  597292.8795  0.1052 -5.7530 3  961.9548B92  59516140474 570 2    74 471 2      C-13-H3C(O)CH3
  597292.8795  0.1052 -5.4470 3  961.9548B92  59516140474 570 2    74 371 2      C-13-H3C(O)CH3
  597292.8795  0.1052 -5.4470 3  961.9548B92  59516140474 470 2    74 471 2      C-13-H3C(O)CH3
  597292.8795  0.1052 -5.7530 3  961.9548B92  59516140474 470 2    74 371 2      C-13-H3C(O)CH3
  597297.7253  0.0724 -5.9635 3  964.1034468  595161404584217 3    574315 3      C-13-H3C(O)CH3
  597327.0729  0.0041 -3.5849 3  574.3503840 -595161404521241 0    511240 0      C-13-H3C(O)CH3
  597327.0729  0.0041 -5.0249 3  574.3503840 -595161404521241 0    511140 0      C-13-H3C(O)CH3
  597327.0729  0.0041 -5.0249 3  574.3503840 -595161404521141 0    511240 0      C-13-H3C(O)CH3
  597327.0778  0.0041 -3.5849 3  574.3503840  595161404521141 0    511140 0      C-13-H3C(O)CH3
  597330.3988  0.0077 -4.8612 3  574.3207840  595161404521241 1    511240 1      C-13-H3C(O)CH3
  597330.3988  0.0077 -3.5921 3  574.3207840  595161404521241 1    511140 1      C-13-H3C(O)CH3
  597330.3988  0.0077 -3.5921 3  574.3207840  595161404521141 1    511240 1      C-13-H3C(O)CH3
  597330.3988  0.0077 -4.8612 3  574.3207840  595161404521141 1    511140 1      C-13-H3C(O)CH3
  597331.4490  0.0076 -3.9596 3  574.3202840  595161404521241 2    511140 2      C-13-H3C(O)CH3
  597331.4490  0.0076 -3.7964 3  574.3202840  595161404521241 2    511240 2      C-13-H3C(O)CH3
  597331.4490  0.0076 -3.7964 3  574.3202840  595161404521141 2    511140 2      C-13-H3C(O)CH3
  597331.4490  0.0076 -3.9596 3  574.3202840  595161404521141 2    511240 2      C-13-H3C(O)CH3
  597334.7501  0.0057 -4.5422 3  574.2905420  595161404521141 4    511140 4      C-13-H3C(O)CH3
  597334.7501  0.0057 -4.3444 3  574.2905420  595161404521241 4    511240 4      C-13-H3C(O)CH3
  597334.7501  0.0057 -4.0479 3  574.2905420  595161404521241 4    511140 4      C-13-H3C(O)CH3
  597334.7501  0.0057 -3.9742 3  574.2905420  595161404521141 4    511240 4      C-13-H3C(O)CH3
  597334.7861  0.0057 -4.1089 3  574.2905420  595161404521241 3    511240 3      C-13-H3C(O)CH3
  597334.7861  0.0057 -4.2443 3  574.2905420  595161404521141 3    511240 3      C-13-H3C(O)CH3
  597334.7861  0.0057 -4.1089 3  574.2905420  595161404521141 3    511140 3      C-13-H3C(O)CH3
  597334.7861  0.0057 -4.2443 3  574.2905420  595161404521241 3    511140 3      C-13-H3C(O)CH3
  597341.7944  0.0065 -4.1030 3  298.8935268  595161404332310 3    322210 3      C-13-H3C(O)CH3
  597358.2956  0.0159 -6.0911 3  115.2880328  5951614042019 1 1    1916 3 1      C-13-H3C(O)CH3
  597363.3267  0.0148 -4.9834 3  166.3937408  5951614042518 8 2    2415 9 2      C-13-H3C(O)CH3
  597373.3404  0.0068 -4.4791 3  298.9173536  595161404332310 2    322210 2      C-13-H3C(O)CH3
  597393.5494  0.0783 -5.9635 3  964.0949468  595161404584217 4    574315 4      C-13-H3C(O)CH3
  597418.5696  0.0044 -3.5892 3  291.7952260  5951614043225 7 4    3124 7 4      C-13-H3C(O)CH3
  597482.3563  0.0038 -3.2880 3  291.8170520 -5951614043225 7 1    3124 7 1      C-13-H3C(O)CH3
  597504.1783  0.0787 -5.6881 3  873.3079580  59516140472 370 3    72 171 3      C-13-H3C(O)CH3
  597504.1783  0.0787 -5.6881 3  873.3079580  59516140472 270 3    72 271 3      C-13-H3C(O)CH3
  597504.2713  0.0792 -5.6876 3  873.3079580  59516140472 270 4    72 171 4      C-13-H3C(O)CH3
  597504.2713  0.0792 -5.6876 3  873.3079580  59516140472 370 4    72 271 4      C-13-H3C(O)CH3
  597531.5021  0.0038 -3.2878 3  291.8295520 -5951614043225 7 2    3124 7 2      C-13-H3C(O)CH3
  597532.3031  0.0069 -4.3208 3  199.7223228  595161404281513 3    271414 3      C-13-H3C(O)CH3
  597532.3184  0.1338 -5.4559 3  714.2785412  595161404513220 4    503317 4      C-13-H3C(O)CH3
  597538.2193  0.0076 -4.3208 3  199.7223228  595161404281513 4    271414 4      C-13-H3C(O)CH3
  597547.9929  0.0057 -4.0198 3  199.7299456  595161404281513 2    271414 2      C-13-H3C(O)CH3
  597553.2272  0.0042 -3.5892 3  291.7863260  5951614043225 7 3    3124 7 3      C-13-H3C(O)CH3
  597575.3765  0.0165 -6.0887 3  115.2293328  5951614042019 2 2    1916 4 2      C-13-H3C(O)CH3
  597589.8250  0.0582 -5.2970 3  961.9709B92  59516140474 570 0    74 371 0      C-13-H3C(O)CH3
  597589.8250  0.0582 -5.2970 3  961.9709B92  59516140474 470 0    74 471 0      C-13-H3C(O)CH3
  597593.9882  0.0032 -3.2876 3  291.8511520 -5951614043225 8 0    3124 7 0      C-13-H3C(O)CH3
  597595.7221  0.0032 -3.2876 3  291.8511520 -5951614043225 7 0    3124 8 0      C-13-H3C(O)CH3
  597602.4191  0.0149 -6.0938 3  115.2961328  5951614042019 1 2    1916 3 2      C-13-H3C(O)CH3
  597616.4992  0.0040 -3.5888 3  291.7820260  5951614043225 8 3    3124 8 3      C-13-H3C(O)CH3
  597652.0903  0.0164 -6.0874 3  115.2160328  5951614042019 2 1    1916 4 1      C-13-H3C(O)CH3
  597665.1079  0.0034 -3.2878 3  291.8206520 -5951614043225 8 2    3124 8 2      C-13-H3C(O)CH3
  597667.5255  0.0058 -4.0198 3  199.7340456 -595161404281513 1    271414 1      C-13-H3C(O)CH3
  597679.2001  0.0032 -3.2876 3  291.8037520 -5951614043225 8 1    3124 8 1      C-13-H3C(O)CH3
  597681.8548  0.0052 -4.0197 3  199.7416456  595161404281513 0    271414 0      C-13-H3C(O)CH3
  597686.9401  0.1180 -6.3404 3  829.8793572  59516140471 170 3    71 171 3      C-13-H3C(O)CH3
  597686.9401  0.1180 -6.0854 3  829.8793572  59516140471 170 3    71 071 3      C-13-H3C(O)CH3
  597686.9401  0.1180 -6.3404 3  829.8793572  59516140471 270 3    71 071 3      C-13-H3C(O)CH3
  597686.9401  0.1180 -6.0854 3  829.8793572  59516140471 270 3    71 171 3      C-13-H3C(O)CH3
  597688.6658  0.1181 -6.2135 3  829.8793572  59516140471 170 4    71 171 4      C-13-H3C(O)CH3
  597688.6658  0.1181 -6.1762 3  829.8793572  59516140471 170 4    71 071 4      C-13-H3C(O)CH3
  597688.6658  0.1181 -6.2135 3  829.8793572  59516140471 270 4    71 071 4      C-13-H3C(O)CH3
  597688.6658  0.1181 -6.1762 3  829.8793572  59516140471 270 4    71 171 4      C-13-H3C(O)CH3
  597703.7919  0.0094 -6.3587 3  112.0894344  5951614042115 6 1    201010 1      C-13-H3C(O)CH3
  597718.7139  0.0063 -4.1020 3  298.8607268  595161404332311 3    322211 3      C-13-H3C(O)CH3
  597750.6119  0.0039 -3.5888 3  291.7731260  5951614043225 8 4    3124 8 4      C-13-H3C(O)CH3
  597751.4534  0.0037 -4.0195 3  298.8814536  595161404332311 1    322211 1      C-13-H3C(O)CH3
  597756.5376  0.3030 -6.2978 3 1734.7852E48  595161404901971 1    901972 1      C-13-H3C(O)CH3
  597756.5376  0.3030 -6.2978 3 1734.7852E48  595161404902071 1    901872 1      C-13-H3C(O)CH3
  597762.6980  0.2636 -6.2326 3 1734.7630E48  595161404902071 0    901972 0      C-13-H3C(O)CH3
  597762.6980  0.2636 -6.2469 3 1734.7630E48  595161404901971 0    901872 0      C-13-H3C(O)CH3
  597769.2480  0.0851 -5.7067 3  917.3271B76  59516140473 470 1    73 271 1      C-13-H3C(O)CH3
  597769.2480  0.0851 -5.7067 3  917.3271B76  59516140473 370 1    73 371 1      C-13-H3C(O)CH3
  597769.2480  0.0851 -5.5189 3  917.3271B76  59516140473 370 1    73 271 1      C-13-H3C(O)CH3
  597769.2480  0.0851 -5.5189 3  917.3271B76  59516140473 470 1    73 371 1      C-13-H3C(O)CH3
  597771.3840  0.0814 -5.3821 3  917.3267B76  59516140473 370 2    73 271 2      C-13-H3C(O)CH3
  597771.3840  0.0814 -6.0729 3  917.3267B76  59516140473 470 2    73 271 2      C-13-H3C(O)CH3
  597771.3840  0.0814 -5.3821 3  917.3267B76  59516140473 470 2    73 371 2      C-13-H3C(O)CH3
  597771.3840  0.0814 -6.0729 3  917.3267B76  59516140473 370 2    73 371 2      C-13-H3C(O)CH3
  597774.4583  0.0035 -4.4443 3  609.1131484  59516140460 358 3    59 357 3      C-13-H3C(O)CH3
  597774.4583  0.0035 -3.8713 3  609.1131484  59516140460 258 3    59 357 3      C-13-H3C(O)CH3
  597774.4631  0.0035 -3.7697 3  609.1132484  59516140460 258 4    59 257 4      C-13-H3C(O)CH3
  597774.4631  0.0035 -6.2848 3  609.1132484  59516140460 358 4    59 257 4      C-13-H3C(O)CH3
  597774.4952  0.0035 -4.4443 3  609.1131484 -59516140460 258 3    59 257 3      C-13-H3C(O)CH3
  597774.4952  0.0035 -6.2848 3  609.1132484 -59516140460 258 4    59 357 4      C-13-H3C(O)CH3
  597774.4952  0.0035 -3.7697 3  609.1132484 -59516140460 358 4    59 357 4      C-13-H3C(O)CH3
  597774.4952  0.0035 -3.8713 3  609.1131484 -59516140460 358 3    59 257 3      C-13-H3C(O)CH3
  597780.4851  0.0061 -4.4770 3  298.8895536  595161404332311 2    322211 2      C-13-H3C(O)CH3
  597793.1795  0.0039 -4.8535 3  298.8619268  595161404332311 4    322211 4      C-13-H3C(O)CH3
  597800.7078  0.0053 -5.3877 3  609.0999968 -59516140460 258 1    59 357 1      C-13-H3C(O)CH3
  597800.7078  0.0052 -6.2284 3  609.0995968 -59516140460 358 2    59 257 2      C-13-H3C(O)CH3
  597800.7078  0.0053 -3.4726 3  609.0999968 -59516140460 358 1    59 357 1      C-13-H3C(O)CH3
  597800.7078  0.0052 -3.4681 3  609.0995968 -59516140460 358 2    59 357 2      C-13-H3C(O)CH3
  597800.7078  0.0052 -6.2284 3  609.0995968 -59516140460 258 2    59 357 2      C-13-H3C(O)CH3
  597800.7078  0.0052 -3.4681 3  609.0995968 -59516140460 258 2    59 257 2      C-13-H3C(O)CH3
  597800.7078  0.0053 -3.4726 3  609.0999968 -59516140460 258 1    59 257 1      C-13-H3C(O)CH3
  597800.7078  0.0053 -5.3877 3  609.0999968 -59516140460 358 1    59 257 1      C-13-H3C(O)CH3
  597826.9445  0.0039 -3.4697 3  609.0863968 -59516140460 358 0    59 257 0      C-13-H3C(O)CH3
  597826.9445  0.0039 -3.4673 3  609.0863968 -59516140460 258 0    59 357 0      C-13-H3C(O)CH3
  597826.9445  0.0039 -5.7286 3  609.0863968 -59516140460 358 0    59 357 0      C-13-H3C(O)CH3
  597911.5647  0.0069 -4.6916 3  135.4270204  59516140425 817 4    24 718 4      C-13-H3C(O)CH3
  597911.5675  0.0069 -4.6916 3  135.4270204  59516140425 917 4    24 618 4      C-13-H3C(O)CH3
  597911.6878  0.0053 -4.6916 3  135.4269204  59516140425 817 3    24 718 3      C-13-H3C(O)CH3
  597911.6907  0.0053 -4.6916 3  135.4269204  59516140425 917 3    24 618 3      C-13-H3C(O)CH3
  598103.8466  0.0148 -5.1855 3  166.4046408  5951614042518 7 1    2415 9 1      C-13-H3C(O)CH3
  598113.0378  0.0115 -4.7933 3  166.3953408  5951614042518 8 0    2415 9 0      C-13-H3C(O)CH3
  598159.5175  0.0033 -3.4409 3  298.9094536 -595161404332310 0    322211 0      C-13-H3C(O)CH3
  598176.8460  0.0091 -3.7776 3  298.8619268  595161404332310 4    322211 4      C-13-H3C(O)CH3
  598206.7220  0.0094 -3.4828 3  298.8895536  595161404332310 2    322211 2      C-13-H3C(O)CH3
  598215.0536  0.0098 -3.5748 3  298.8814536  595161404332310 1    322211 1      C-13-H3C(O)CH3
  598218.2014  0.0191 -5.4268 3  166.4034204  5951614042518 7 4    2415 9 4      C-13-H3C(O)CH3
  598245.8616  0.0051 -4.3899 3  135.4085408  59516140425 817 2    24 718 2      C-13-H3C(O)CH3
  598245.8646  0.0051 -4.3899 3  135.4085408  59516140425 917 2    24 618 2      C-13-H3C(O)CH3
  598254.8966  0.1098 -5.4348 3  873.2803B60  59516140472 270 2    72 171 2      C-13-H3C(O)CH3
  598254.8966  0.1098 -6.3309 3  873.2803B60  59516140472 270 2    72 271 2      C-13-H3C(O)CH3
  598254.8966  0.1098 -6.3309 3  873.2803B60  59516140472 370 2    72 171 2      C-13-H3C(O)CH3
  598254.8966  0.1098 -5.4348 3  873.2803B60  59516140472 370 2    72 271 2      C-13-H3C(O)CH3
  598255.3105  0.1144 -5.9859 3  873.2807B60  59516140472 270 1    72 271 1      C-13-H3C(O)CH3
  598255.3105  0.1144 -5.5077 3  873.2807B60  59516140472 270 1    72 171 1      C-13-H3C(O)CH3
  598255.3105  0.1144 -5.9859 3  873.2807B60  59516140472 370 1    72 171 1      C-13-H3C(O)CH3
  598255.3105  0.1144 -5.5077 3  873.2807B60  59516140472 370 1    72 271 1      C-13-H3C(O)CH3
  598260.2207  0.0051 -4.3900 3  135.4094408  59516140425 817 1    24 718 1      C-13-H3C(O)CH3
  598260.2234  0.0051 -4.3900 3  135.4094408  59516140425 917 1    24 618 1      C-13-H3C(O)CH3
  598268.6573  0.0563 -5.3171 3  917.3254B76  59516140473 470 0    73 271 0      C-13-H3C(O)CH3
  598268.6573  0.0563 -5.3171 3  917.3254B76  59516140473 370 0    73 371 0      C-13-H3C(O)CH3
  598301.9927  0.0170 -6.0929 3  115.2710328  5951614042019 2 0    1916 3 0      C-13-H3C(O)CH3
  598303.7811  0.0170 -6.0929 3  115.2710328  5951614042019 1 0    1916 4 0      C-13-H3C(O)CH3
  598312.7874  0.0155 -5.6420 3  142.7847376  5951614042318 6 1    2215 7 1      C-13-H3C(O)CH3
  598325.9456  0.0217 -3.9919 3  298.8607268  595161404332310 3    322211 3      C-13-H3C(O)CH3
  598349.3670  0.1015 -5.0615 3  714.2487824  595161404513220 2    503317 2      C-13-H3C(O)CH3
  598351.6025  0.2644 -6.2618 3 1680.8817E32  595161404891971 0    891772 0      C-13-H3C(O)CH3
  598351.6025  0.2644 -6.2618 3 1680.8817E32  595161404891871 0    891872 0      C-13-H3C(O)CH3
  598362.6170  0.0046 -4.3800 3  179.7573220  595161404271314 3    261215 3      C-13-H3C(O)CH3
  598363.1851  0.0059 -4.3800 3  179.7574220  595161404271314 4    261215 4      C-13-H3C(O)CH3
  598368.6306  0.3140 -6.2075 3 1680.9031E32  595161404891971 1    891772 1      C-13-H3C(O)CH3
  598368.6306  0.3140 -6.1693 3 1680.9031E32  595161404891871 1    891872 1      C-13-H3C(O)CH3
  598380.7577  0.3066 -6.3040 3 1680.9043E32  595161404891871 2    891872 2      C-13-H3C(O)CH3
  598380.7577  0.3066 -6.3040 3 1680.9043E32  595161404891971 2    891772 2      C-13-H3C(O)CH3
  598401.4060  0.0054 -3.9100 3  582.5374428  595161404531143 4    521042 4      C-13-H3C(O)CH3
  598401.4060  0.0054 -4.8410 3  582.5374428  595161404531143 4    521142 4      C-13-H3C(O)CH3
  598401.4060  0.0054 -3.8630 3  582.5374428  595161404531043 4    521142 4      C-13-H3C(O)CH3
  598401.4491  0.0054 -3.9053 3  582.5374428  595161404531143 3    521042 3      C-13-H3C(O)CH3
  598401.4491  0.0054 -3.8815 3  582.5374428  595161404531043 3    521142 3      C-13-H3C(O)CH3
  598401.4491  0.0054 -4.8828 3  582.5374428  595161404531143 3    521142 3      C-13-H3C(O)CH3
  598401.4491  0.0054 -5.2155 3  582.5374428  595161404531043 3    521042 3      C-13-H3C(O)CH3
  598401.5716  0.0079 -3.9726 3  582.5680856  595161404531143 1    521142 1      C-13-H3C(O)CH3
  598401.5716  0.0079 -3.7737 3  582.5680856  595161404531143 1    521042 1      C-13-H3C(O)CH3
  598401.5716  0.0079 -3.5875 3  582.5680856  595161404531043 1    521042 1      C-13-H3C(O)CH3
  598401.5716  0.0079 -4.7855 3  582.5680856  595161404531043 1    521142 1      C-13-H3C(O)CH3
  598402.4391  0.0079 -3.6723 3  582.5676856  595161404531143 2    521142 2      C-13-H3C(O)CH3
  598402.4391  0.0079 -4.2061 3  582.5676856  595161404531143 2    521042 2      C-13-H3C(O)CH3
  598402.4391  0.0079 -3.6723 3  582.5676856  595161404531043 2    521042 2      C-13-H3C(O)CH3
  598402.4391  0.0079 -4.2061 3  582.5676856  595161404531043 2    521142 2      C-13-H3C(O)CH3
  598402.5723  0.0042 -3.8831 3  582.5981856  595161404531143 0    521042 0      C-13-H3C(O)CH3
  598402.5723  0.0042 -3.8418 3  582.5981856  595161404531043 0    521042 0      C-13-H3C(O)CH3
  598402.5723  0.0042 -3.8831 3  582.5981856  595161404531043 0    521142 0      C-13-H3C(O)CH3
  598402.5723  0.0042 -3.8418 3  582.5981856  595161404531143 0    521142 0      C-13-H3C(O)CH3
  598436.7453  0.0151 -5.2415 3  166.3937408  5951614042518 7 2    2415 9 2      C-13-H3C(O)CH3
  598476.0573  0.0095 -6.2034 3   94.2873328  5951614042011 9 2    19 812 2      C-13-H3C(O)CH3
  598496.6546  0.0044 -4.0787 3  179.7603440  595161404271314 2    261215 2      C-13-H3C(O)CH3
  598497.4843  0.0761 -5.2583 3  714.2503412  595161404513220 3    503317 3      C-13-H3C(O)CH3
  598539.1727  0.0057 -4.3798 3  179.7572220  595161404271414 4    261115 4      C-13-H3C(O)CH3
  598539.2451  0.0046 -4.3798 3  179.7572220  595161404271414 3    261115 3      C-13-H3C(O)CH3
  598541.4494  0.0044 -4.0787 3  179.7631440  595161404271314 1    261215 1      C-13-H3C(O)CH3
  598593.6919  0.0050 -4.3891 3  135.3910408  59516140425 817 0    24 718 0      C-13-H3C(O)CH3
  598593.6947  0.0050 -4.3891 3  135.3910408  59516140425 917 0    24 618 0      C-13-H3C(O)CH3
  598618.2137  0.0935 -4.8964 3  576.5365372  595161404462818 3    452917 3      C-13-H3C(O)CH3
  598668.1974  0.0584 -5.0259 3  714.2376824  595161404513220 1    503317 1      C-13-H3C(O)CH3
  598673.3160  0.0093 -6.2044 3   94.2889328  5951614042011 9 1    19 812 1      C-13-H3C(O)CH3
  598675.0855  0.0044 -4.0784 3  179.7661440  595161404271314 0    261215 0      C-13-H3C(O)CH3
  598677.5884  0.0044 -4.0785 3  179.7602440  595161404271414 2    261115 2      C-13-H3C(O)CH3
  598687.6194  0.0184 -5.7452 3  142.7797188  5951614042318 6 3    2215 7 3      C-13-H3C(O)CH3
  598716.6200  0.0044 -4.0786 3  179.7629440  595161404271414 1    261115 1      C-13-H3C(O)CH3
  598745.6710  0.2220 -6.2410 3  829.8158B44  59516140471 170 2    71 171 2      C-13-H3C(O)CH3
  598745.6710  0.2220 -5.7001 3  829.8158B44  59516140471 270 2    71 171 2      C-13-H3C(O)CH3
  598745.6710  0.2220 -6.2410 3  829.8158B44  59516140471 270 2    71 071 2      C-13-H3C(O)CH3
  598745.6710  0.2220 -5.7001 3  829.8158B44  59516140471 170 2    71 071 2      C-13-H3C(O)CH3
  598751.4291  0.2231 -5.5965 3  829.8160B44  59516140471 170 1    71 071 1      C-13-H3C(O)CH3
  598751.4291  0.2231 -5.5965 3  829.8160B44  59516140471 270 1    71 171 1      C-13-H3C(O)CH3
  598777.3819  0.0092 -6.2011 3   94.2623328  5951614042011 9 0    19 812 0      C-13-H3C(O)CH3
  598833.9857  0.0150 -5.5826 3  142.7819376  5951614042318 6 2    2215 7 2      C-13-H3C(O)CH3
  598854.7114  0.0044 -4.0783 3  179.7659440  595161404271414 0    261115 0      C-13-H3C(O)CH3
  598893.0315  0.0811 -4.9161 3  576.5281372  595161404462818 4    452917 4      C-13-H3C(O)CH3
  598906.2075  0.0212 -5.6463 3  154.2349196  5951614042418 7 4    2315 8 4      C-13-H3C(O)CH3
  598921.9948  0.2599 -6.2004 3 1627.5731E16  595161404881771 0    881772 0      C-13-H3C(O)CH3
  598921.9948  0.2599 -6.0517 3 1627.5731E16  595161404881871 0    881772 0      C-13-H3C(O)CH3
  598928.2703  0.0159 -5.6916 3  142.7797188  5951614042318 5 3    2215 7 3      C-13-H3C(O)CH3
  598935.7592  0.0043 -3.8422 3  612.4817492  59516140461 160 3    60 159 3      C-13-H3C(O)CH3
  598935.7592  0.0043 -4.5072 3  612.4817492  59516140461 260 3    60 159 3      C-13-H3C(O)CH3
  598935.7745  0.0043 -3.7572 3  612.4818492  59516140461 160 4    60 259 4      C-13-H3C(O)CH3
  598935.8055  0.0043 -4.5072 3  612.4817492 -59516140461 160 3    60 259 3      C-13-H3C(O)CH3
  598935.8055  0.0043 -3.8422 3  612.4817492 -59516140461 260 3    60 259 3      C-13-H3C(O)CH3
  598935.8055  0.0043 -3.7572 3  612.4818492 -59516140461 260 4    60 159 4      C-13-H3C(O)CH3
  598954.3915  0.0060 -3.5234 3  612.4471984 -59516140461 160 1    60 259 1      C-13-H3C(O)CH3
  598954.3915  0.0057 -3.6398 3  612.4467984 -59516140461 160 2    60 159 2      C-13-H3C(O)CH3
  598954.3915  0.0060 -4.2984 3  612.4471984 -59516140461 260 1    60 259 1      C-13-H3C(O)CH3
  598954.3915  0.0057 -3.9182 3  612.4467984 -59516140461 260 2    60 159 2      C-13-H3C(O)CH3
  598954.4119  0.0057 -3.9182 3  612.4467984  59516140461 160 2    60 259 2      C-13-H3C(O)CH3
  598954.4119  0.0057 -3.6398 3  612.4467984  59516140461 260 2    60 259 2      C-13-H3C(O)CH3
  598954.4330  0.0060 -4.2984 3  612.4471984  59516140461 160 1    60 159 1      C-13-H3C(O)CH3
  598954.4330  0.0060 -3.5234 3  612.4471984  59516140461 260 1    60 159 1      C-13-H3C(O)CH3
  598964.5488  0.3156 -6.0768 3 1627.5927E16  595161404881771 1    881672 1      C-13-H3C(O)CH3
  598964.5488  0.3156 -6.0768 3 1627.5927E16  595161404881871 1    881772 1      C-13-H3C(O)CH3
  598972.9717  0.0044 -5.3920 3  612.4121984 -59516140461 260 0    60 259 0      C-13-H3C(O)CH3
  598972.9717  0.0044 -3.4610 3  612.4121984 -59516140461 260 0    60 159 0      C-13-H3C(O)CH3
  598972.9717  0.0044 -5.3920 3  612.4121984 -59516140461 160 0    60 159 0      C-13-H3C(O)CH3
  598972.9717  0.0044 -3.4610 3  612.4121984 -59516140461 160 0    60 259 0      C-13-H3C(O)CH3
  598975.1923  0.3102 -6.2671 3 1627.5935E16  595161404881771 2    881772 2      C-13-H3C(O)CH3
  598975.1923  0.3102 -6.2671 3 1627.5935E16  595161404881871 2    881672 2      C-13-H3C(O)CH3
  599004.7055  0.0857 -5.4023 3  873.2532B60  59516140472 270 0    72 271 0      C-13-H3C(O)CH3
  599004.7055  0.0857 -5.4023 3  873.2532B60  59516140472 370 0    72 171 0      C-13-H3C(O)CH3
  599017.9922  0.1770 -6.3768 3 1627.6131708  595161404881771 4    881672 4      C-13-H3C(O)CH3
  599017.9922  0.1770 -6.3768 3 1627.6131708  595161404881871 4    881772 4      C-13-H3C(O)CH3
  599130.2525  0.0720 -6.1836 3  781.5559872  595161404542925 2    542628 2      C-13-H3C(O)CH3
  599144.3163  0.0511 -6.1831 3  781.5562872  595161404542925 1    542628 1      C-13-H3C(O)CH3
  599154.1304  0.0485 -6.1838 3  781.5572872  595161404542925 0    542628 0      C-13-H3C(O)CH3
  599159.3045  0.0404 -4.9457 3  714.2167824  595161404513220 0    503317 0      C-13-H3C(O)CH3
  599159.6095  0.0864 -4.6012 3  576.5392744  595161404462818 2    452917 2      C-13-H3C(O)CH3
  599180.3556  0.0926 -5.5123 3  813.8211436  595161404543619 4    533717 4      C-13-H3C(O)CH3
  599209.9571  0.3329 -6.1771 3 1037.8820A00  595161404623528 0    613625 0      C-13-H3C(O)CH3
  599233.9197  0.1452 -6.0499 3  813.8483436  595161404543619 3    533716 3      C-13-H3C(O)CH3
  599338.6155  0.0104 -6.1819 3  423.7663664  595161404411823 0    411526 0      C-13-H3C(O)CH3
  599338.7258  0.0104 -6.1819 3  423.7663664  595161404411923 0    411626 0      C-13-H3C(O)CH3
  599364.4559  0.0847 -5.2200 3  813.8026872  595161404543619 2    533717 2      C-13-H3C(O)CH3
  599369.3686  0.0759 -5.6554 3  813.8438436  595161404543619 3    533717 3      C-13-H3C(O)CH3
  599379.5559  0.0123 -6.1824 3  423.7370664  595161404411823 2    411526 2      C-13-H3C(O)CH3
  599379.6766  0.0123 -6.1824 3  423.7370664  595161404411923 2    411626 2      C-13-H3C(O)CH3
  599403.1887  0.0117 -6.1807 3  423.7386664  595161404411823 1    411526 1      C-13-H3C(O)CH3
  599403.3044  0.0117 -6.1807 3  423.7386664  595161404411923 1    411626 1      C-13-H3C(O)CH3
  599446.2661  0.0639 -5.9016 3 1044.9293968  595161404604516 0    594613 0      C-13-H3C(O)CH3
  599446.2677  0.0639 -5.9016 3 1044.9293968  595161404604515 0    594614 0      C-13-H3C(O)CH3
  599475.3045  0.2493 -6.2104 3 1574.8385E00  595161404871771 0    871572 0      C-13-H3C(O)CH3
  599475.3045  0.2493 -6.3320 3 1574.8385E00  595161404871671 0    871572 0      C-13-H3C(O)CH3
  599475.3045  0.2493 -6.3320 3 1574.8385E00  595161404871771 0    871672 0      C-13-H3C(O)CH3
  599475.3045  0.2493 -6.2104 3 1574.8385E00  595161404871671 0    871672 0      C-13-H3C(O)CH3
  599483.2978  0.0051 -4.1773 3  590.2394436 -59516140454 945 3    53 944 3      C-13-H3C(O)CH3
  599483.2978  0.0051 -6.0717 3  590.2394436 -595161404541045 4    53 944 4      C-13-H3C(O)CH3
  599483.2978  0.0051 -3.8700 3  590.2394436 -595161404541045 3    531044 3      C-13-H3C(O)CH3
  599483.2978  0.0051 -3.8561 3  590.2394436 -595161404541045 4    531044 4      C-13-H3C(O)CH3
  599483.2978  0.0051 -4.1328 3  590.2394436 -595161404541045 3    53 944 3      C-13-H3C(O)CH3
  599483.2978  0.0051 -3.8561 3  590.2394436 -59516140454 945 4    53 944 4      C-13-H3C(O)CH3
  599483.2978  0.0051 -6.0717 3  590.2394436 -59516140454 945 4    531044 4      C-13-H3C(O)CH3
  599483.2978  0.0051 -5.2795 3  590.2394436 -59516140454 945 3    531044 3      C-13-H3C(O)CH3
  599488.2295  0.0081 -3.6159 3  590.2700872  595161404541045 1    53 944 1      C-13-H3C(O)CH3
  599488.2295  0.0081 -4.4193 3  590.2700872  595161404541045 1    531044 1      C-13-H3C(O)CH3
  599488.2295  0.0081 -4.4193 3  590.2700872  59516140454 945 1    53 944 1      C-13-H3C(O)CH3
  599488.2295  0.0081 -3.6159 3  590.2700872  59516140454 945 1    531044 1      C-13-H3C(O)CH3
  599488.9539  0.0080 -3.7260 3  590.2696872  595161404541045 2    53 944 2      C-13-H3C(O)CH3
  599488.9539  0.0080 -4.0349 3  590.2696872  59516140454 945 2    53 944 2      C-13-H3C(O)CH3
  599488.9539  0.0080 -3.7260 3  590.2696872  59516140454 945 2    531044 2      C-13-H3C(O)CH3
  599488.9539  0.0080 -4.0349 3  590.2696872  595161404541045 2    531044 2      C-13-H3C(O)CH3
  599493.9199  0.0042 -3.5765 3  590.3001872 -59516140454 945 0    531044 0      C-13-H3C(O)CH3
  599493.9199  0.0042 -4.8225 3  590.3001872 -59516140454 945 0    53 944 0      C-13-H3C(O)CH3
  599493.9199  0.0042 -4.8225 3  590.3001872 -595161404541045 0    531044 0      C-13-H3C(O)CH3
  599493.9199  0.0042 -3.5765 3  590.3001872 -595161404541045 0    53 944 0      C-13-H3C(O)CH3
  599529.2198  0.0758 -5.2265 3  813.7944872  595161404543619 1    533717 1      C-13-H3C(O)CH3
  599544.8459  0.3066 -6.0235 3 1574.8551E00  595161404871771 1    871672 1      C-13-H3C(O)CH3
  599544.8459  0.3066 -6.0235 3 1574.8551E00  595161404871671 1    871572 1      C-13-H3C(O)CH3
  599553.6363  0.3035 -5.9835 3 1574.8554E00  595161404871671 2    871672 2      C-13-H3C(O)CH3
  599553.6363  0.3035 -5.9835 3 1574.8554E00  595161404871771 2    871572 2      C-13-H3C(O)CH3
  599558.1931  0.0756 -5.2074 3  813.7761872  595161404543619 0    533716 0      C-13-H3C(O)CH3
  599562.7215  0.0444 -4.5957 3  576.5376744  595161404462818 1    452917 1      C-13-H3C(O)CH3
  599593.7222  0.0472 -6.1832 3  781.5572872  595161404543025 0    542728 0      C-13-H3C(O)CH3
  599593.8594  0.0665 -6.1830 3  781.5560872  595161404543025 2    542728 2      C-13-H3C(O)CH3
  599600.3202  0.0039 -3.7036 3  494.4393712  595161404442024 0    432123 0      C-13-H3C(O)CH3
  599601.6314  0.0039 -3.7036 3  494.4392712  595161404442124 0    432023 0      C-13-H3C(O)CH3
  599606.4426  0.0507 -6.1826 3  781.5562872  595161404543025 1    542728 1      C-13-H3C(O)CH3
  599608.0394  0.0701 -5.9016 3 1044.9449968  595161404604516 1    594614 1      C-13-H3C(O)CH3
  599621.9996  0.0050 -3.7036 3  494.4167712  595161404442024 1    432123 1      C-13-H3C(O)CH3
  599623.3124  0.1692 -6.3060 3 1574.8720700  595161404871771 3    871572 3      C-13-H3C(O)CH3
  599623.3124  0.1692 -6.3060 3 1574.8720700  595161404871671 3    871672 3      C-13-H3C(O)CH3
  599623.3788  0.0050 -3.7036 3  494.4167712  595161404442124 1    432023 1      C-13-H3C(O)CH3
  599632.0543  0.0761 -5.9016 3 1044.9749968  595161404604515 2    594613 2      C-13-H3C(O)CH3
  599632.2193  0.0053 -3.7036 3  494.4142712  595161404442024 2    432123 2      C-13-H3C(O)CH3
  599633.6445  0.0053 -3.7036 3  494.4142712  595161404442124 2    432023 2      C-13-H3C(O)CH3
  599649.2471  0.0689 -5.9016 3 1044.9648968  595161404604515 1    594613 1      C-13-H3C(O)CH3
  599653.9097  0.0057 -4.0046 3  494.3916356  595161404442024 4    432123 4      C-13-H3C(O)CH3
  599653.9169  0.0058 -4.0046 3  494.3916356  595161404442024 3    432123 3      C-13-H3C(O)CH3
  599655.4023  0.0057 -4.0046 3  494.3915356  595161404442124 4    432023 4      C-13-H3C(O)CH3
  599655.4166  0.0058 -4.0046 3  494.3916356  595161404442124 3    432023 3      C-13-H3C(O)CH3
  599665.8591  0.0078 -5.0658 3  110.2197196  59516140424 519 3    23 420 3      C-13-H3C(O)CH3
  599665.8591  0.0078 -5.0658 3  110.2197196  59516140424 619 3    23 320 3      C-13-H3C(O)CH3
  599665.9947  0.0097 -5.0768 3  110.2197196  59516140424 519 4    23 320 4      C-13-H3C(O)CH3
  599665.9947  0.0097 -5.0768 3  110.2197196  59516140424 619 4    23 420 4      C-13-H3C(O)CH3
  599700.7495  0.0708 -5.6552 3  813.8483436  595161404543618 3    533716 3      C-13-H3C(O)CH3
  599737.3106  0.0685 -5.9018 3 1044.9452968  595161404604516 2    594614 2      C-13-H3C(O)CH3
  599794.1435  0.0943 -6.2027 3 1044.9904484  595161404604515 3    594613 3      C-13-H3C(O)CH3
  599807.5806  0.1581 -5.6087 3  829.7527B44  59516140471 270 0    71 071 0      C-13-H3C(O)CH3
  599807.5806  0.1581 -5.6087 3  829.7527B44  59516140471 170 0    71 171 0      C-13-H3C(O)CH3
  599820.7868  0.0650 -5.2197 3  813.8299872  595161404543618 2    533716 2      C-13-H3C(O)CH3
  599822.6005  0.0040 -3.6790 3  507.8968728  595161404451926 0    442025 0      C-13-H3C(O)CH3
  599822.6217  0.0040 -3.6790 3  507.8968728  595161404452026 0    441925 0      C-13-H3C(O)CH3
  599835.6032  0.0967 -6.2027 3 1045.0104484  595161404604515 4    594613 4      C-13-H3C(O)CH3
  599836.1984  0.1177 -6.0487 3  813.8438436  595161404543618 3    533717 3      C-13-H3C(O)CH3
  599845.4205  0.0054 -3.6790 3  507.8738728  595161404451926 1    442025 1      C-13-H3C(O)CH3
  599845.4435  0.0054 -3.6790 3  507.8738728  595161404452026 1    441925 1      C-13-H3C(O)CH3
  599852.5373  0.0056 -3.6790 3  507.8719728  595161404451926 2    442025 2      C-13-H3C(O)CH3
  599852.5611  0.0056 -3.6790 3  507.8719728  595161404452026 2    441925 2      C-13-H3C(O)CH3
  599875.3903  0.0060 -3.9800 3  507.8488364  595161404451926 3    442025 3      C-13-H3C(O)CH3
  599875.3926  0.0060 -3.9800 3  507.8488364  595161404451926 4    442025 4      C-13-H3C(O)CH3
  599875.4163  0.0060 -3.9800 3  507.8488364  595161404452026 3    441925 3      C-13-H3C(O)CH3
  599875.4183  0.0060 -3.9800 3  507.8488364  595161404452026 4    441925 4      C-13-H3C(O)CH3
  599891.3494  0.0628 -5.5117 3  813.8711436  595161404543618 4    533716 4      C-13-H3C(O)CH3
  599899.7461  0.0804 -5.2261 3  813.8171872  595161404543618 1    533716 1      C-13-H3C(O)CH3
  599900.7245  0.0903 -6.2028 3 1044.9607484  595161404604516 4    594614 4      C-13-H3C(O)CH3
  599911.3090  0.0154 -5.5128 3  142.7954188  5951614042318 5 4    2215 7 4      C-13-H3C(O)CH3
  599911.9585  0.0038 -3.7377 3  480.3007696  595161404432122 0    422221 0      C-13-H3C(O)CH3
  599930.1439  0.0048 -3.7377 3  480.2786696  595161404432122 1    422221 1      C-13-H3C(O)CH3
  599941.1655  0.0881 -6.2028 3 1044.9807484  595161404604516 3    594614 3      C-13-H3C(O)CH3
  599945.2455  0.0052 -3.7378 3  480.2751696  595161404432122 2    422221 2      C-13-H3C(O)CH3
  599963.3686  0.0055 -4.0388 3  480.2530348  595161404432122 3    422221 3      C-13-H3C(O)CH3
  599963.4028  0.0055 -4.0388 3  480.2529348  595161404432122 4    422221 4      C-13-H3C(O)CH3
  599969.9321  0.0038 -3.7376 3  480.2992696 -595161404432222 0    422121 0      C-13-H3C(O)CH3
  599970.6807  0.0494 -4.5912 3  576.5446744  595161404462818 0    452917 0      C-13-H3C(O)CH3
  599971.4026  0.4516 -6.1717 3 1037.8680A00  595161404623528 2    613625 2      C-13-H3C(O)CH3
  599987.8120  0.0765 -5.2067 3  813.7757872  595161404543618 0    533717 0      C-13-H3C(O)CH3
  599989.7441  0.0048 -3.7376 3  480.2770696  595161404432222 1    422121 1      C-13-H3C(O)CH3
  600002.6986  0.0117 -5.2712 3  142.7847376  5951614042318 5 1    2215 7 1      C-13-H3C(O)CH3
  600006.5593  0.0050 -3.7377 3  480.2735696  595161404432222 2    422121 2      C-13-H3C(O)CH3
  600013.3187  0.2324 -5.9009 3 1522.6784D84  595161404861671 0    861472 0      C-13-H3C(O)CH3
  600013.3187  0.2324 -5.9009 3 1522.6784D84  595161404861571 0    861572 0      C-13-H3C(O)CH3
  600026.3050  0.0054 -4.0387 3  480.2513348  595161404432222 4    422121 4      C-13-H3C(O)CH3
  600026.4442  0.0054 -4.0387 3  480.2513348  595161404432222 3    422121 3      C-13-H3C(O)CH3
  600049.3097  0.3078 -6.1711 3 1037.8634A00  595161404623528 1    613625 1      C-13-H3C(O)CH3
  600059.8151  0.0145 -5.2957 3  154.2325392  5951614042418 7 1    2315 8 1      C-13-H3C(O)CH3
  600109.4752  0.0069 -4.4364 3  615.3211500 -59516140462 062 4    61 061 4      C-13-H3C(O)CH3
  600109.4752  0.0069 -3.8313 3  615.3212500 -59516140462 062 3    61 061 3      C-13-H3C(O)CH3
  600109.4752  0.0069 -4.4911 3  615.3212500 -59516140462 162 3    61 061 3      C-13-H3C(O)CH3
  600109.4752  0.0069 -3.8442 3  615.3211500 -59516140462 162 4    61 061 4      C-13-H3C(O)CH3
  600109.5230  0.0069 -4.4364 3  615.3211500  59516140462 162 4    61 161 4      C-13-H3C(O)CH3
  600109.5230  0.0069 -3.8442 3  615.3211500  59516140462 062 4    61 161 4      C-13-H3C(O)CH3
  600109.5376  0.0069 -3.8313 3  615.3212500  59516140462 162 3    61 161 3      C-13-H3C(O)CH3
  600109.5376  0.0069 -4.4911 3  615.3212500  59516140462 062 3    61 161 3      C-13-H3C(O)CH3
  600110.1486  0.2873 -5.8943 3 1522.6909D84  595161404861571 1    861572 1      C-13-H3C(O)CH3
  600110.1486  0.2873 -5.8943 3 1522.6909D84  595161404861671 1    861472 1      C-13-H3C(O)CH3
  600113.1328  0.0112 -3.4997 3  615.2568A00 -59516140462 162 1    61 061 1      C-13-H3C(O)CH3
  600113.1328  0.0112 -3.4997 3  615.2568A00 -59516140462 062 1    61 161 1      C-13-H3C(O)CH3
  600113.1328  0.0108 -3.4445 3  615.2565A00 -59516140462 162 2    61 161 2      C-13-H3C(O)CH3
  600113.1328  0.0112 -4.3646 3  615.2568A00 -59516140462 062 1    61 061 1      C-13-H3C(O)CH3
  600113.1328  0.0108 -3.4442 3  615.2565A00 -59516140462 062 2    61 061 2      C-13-H3C(O)CH3
  600113.1328  0.0112 -4.3646 3  615.2568A00 -59516140462 162 1    61 161 1      C-13-H3C(O)CH3
  600116.7017  0.0080 -5.9301 3  615.1922A00  59516140462 062 0    61 161 0      C-13-H3C(O)CH3
  600116.7017  0.0080 -3.4454 3  615.1922A00  59516140462 162 0    61 161 0      C-13-H3C(O)CH3
  600116.7718  0.0080 -3.4454 3  615.1922A00 -59516140462 062 0    61 061 0      C-13-H3C(O)CH3
  600116.7718  0.0080 -5.9301 3  615.1922A00 -59516140462 162 0    61 061 0      C-13-H3C(O)CH3
  600116.8750  0.2862 -5.9156 3 1522.6910D84  595161404861571 2    861472 2      C-13-H3C(O)CH3
  600116.8750  0.2862 -5.9156 3 1522.6910D84  595161404861671 2    861572 2      C-13-H3C(O)CH3
  600145.8508  0.0088 -5.4768 3  110.1795392  59516140424 519 2    23 320 2      C-13-H3C(O)CH3
  600145.8508  0.0088 -5.4768 3  110.1795392  59516140424 619 2    23 420 2      C-13-H3C(O)CH3
  600145.8508  0.0088 -4.8569 3  110.1795392  59516140424 519 2    23 420 2      C-13-H3C(O)CH3
  600145.8508  0.0088 -4.8569 3  110.1795392  59516140424 619 2    23 320 2      C-13-H3C(O)CH3
  600152.7546  0.0090 -6.0915 3  110.1801392  59516140424 619 1    23 420 1      C-13-H3C(O)CH3
  600152.7546  0.0090 -6.0913 3  110.1801392  59516140424 519 1    23 320 1      C-13-H3C(O)CH3
  600152.7546  0.0090 -4.7846 3  110.1801392  59516140424 519 1    23 420 1      C-13-H3C(O)CH3
  600152.7546  0.0090 -4.7846 3  110.1801392  59516140424 619 1    23 320 1      C-13-H3C(O)CH3
  600156.3299  0.0100 -5.1194 3  142.7783376  5951614042318 6 0    2215 7 0      C-13-H3C(O)CH3
  600213.8613  0.1593 -6.2226 3 1522.7035692  595161404861571 3    861472 3      C-13-H3C(O)CH3
  600213.8613  0.1593 -6.2226 3 1522.7035692  595161404861671 3    861572 3      C-13-H3C(O)CH3
  600214.0608  0.1594 -6.1848 3 1522.7035692  595161404861571 4    861572 4      C-13-H3C(O)CH3
  600214.0608  0.1594 -6.1848 3 1522.7035692  595161404861671 4    861472 4      C-13-H3C(O)CH3
  600250.9061  0.0190 -5.4890 3  154.2314196  5951614042418 7 3    2315 8 3      C-13-H3C(O)CH3
  600262.6207  0.0515 -5.5746 3  714.1849824  595161404513220 2    503318 2      C-13-H3C(O)CH3
  600284.3751  0.0119 -5.3022 3  142.7819376  5951614042318 5 2    2215 7 2      C-13-H3C(O)CH3
  600310.4132  0.0432 -5.7177 3  714.1828824  595161404513220 1    503318 1      C-13-H3C(O)CH3
  600335.4168  0.0132 -6.2126 3   84.3833188  59516140423 321 3    22 122 3      C-13-H3C(O)CH3
  600335.4168  0.0132 -6.2126 3   84.3833188  59516140423 221 3    22 022 3      C-13-H3C(O)CH3
  600335.4168  0.0132 -6.3949 3   84.3833188  59516140423 221 3    22 122 3      C-13-H3C(O)CH3
  600335.4168  0.0132 -6.3949 3   84.3833188  59516140423 321 3    22 022 3      C-13-H3C(O)CH3
  600336.1846  0.0150 -6.0986 3   84.3833188  59516140423 221 4    22 022 4      C-13-H3C(O)CH3
  600336.1846  0.0150 -6.0986 3   84.3833188  59516140423 321 4    22 122 4      C-13-H3C(O)CH3
  600350.8053  0.0041 -3.6601 3  520.7211744  595161404461828 0    451927 0      C-13-H3C(O)CH3
  600350.8056  0.0041 -3.6601 3  520.7211744  595161404461928 0    451827 0      C-13-H3C(O)CH3
  600373.6264  0.0057 -3.6600 3  520.6975744  595161404461828 1    451927 1      C-13-H3C(O)CH3
  600373.6267  0.0057 -3.6600 3  520.6975744  595161404461928 1    451827 1      C-13-H3C(O)CH3
  600378.8116  0.0059 -3.6600 3  520.6961744  595161404461828 2    451927 2      C-13-H3C(O)CH3
  600378.8119  0.0059 -3.6600 3  520.6961744  595161404461928 2    451827 2      C-13-H3C(O)CH3
  600401.6706  0.0063 -3.9610 3  520.6724372  595161404461828 3    451927 3      C-13-H3C(O)CH3
  600401.6710  0.0063 -3.9610 3  520.6724372  595161404461928 3    451827 3      C-13-H3C(O)CH3
  600401.6763  0.0063 -3.9610 3  520.6724372  595161404461828 4    451927 4      C-13-H3C(O)CH3
  600401.6766  0.0063 -3.9610 3  520.6724372  595161404461928 4    451827 4      C-13-H3C(O)CH3
  600431.5574  0.0561 -5.6626 3  714.1818412  595161404513220 4    503318 4      C-13-H3C(O)CH3
  600486.6318  0.0082 -6.1156 3  109.3988172  5951614042114 8 4    20 911 4      C-13-H3C(O)CH3
  600514.9086  0.0086 -3.3893 3  289.3027244  5951614043030 1 4    2929 1 4      C-13-H3C(O)CH3
  600535.9115  0.0065 -3.0884 3  289.3835488 -5951614043030 1 2    2929 1 2      C-13-H3C(O)CH3
  600538.2313  0.2097 -5.8856 3 1471.0939D68  595161404851471 0    851472 0      C-13-H3C(O)CH3
  600538.2313  0.2097 -5.8856 3 1471.0939D68  595161404851571 0    851372 0      C-13-H3C(O)CH3
  600577.7355  0.0049 -4.2864 3  597.3986444 -59516140455 847 3    54 846 3      C-13-H3C(O)CH3
  600577.7355  0.0049 -3.8457 3  597.3986444 -59516140455 947 4    54 946 4      C-13-H3C(O)CH3
  600577.7355  0.0049 -4.0402 3  597.3986444 -59516140455 947 3    54 846 3      C-13-H3C(O)CH3
  600577.7355  0.0049 -4.2864 3  597.3986444 -59516140455 947 3    54 946 3      C-13-H3C(O)CH3
  600577.7355  0.0049 -3.8586 3  597.3986444 -59516140455 847 4    54 846 4      C-13-H3C(O)CH3
  600577.7355  0.0049 -4.0402 3  597.3986444 -59516140455 847 3    54 946 3      C-13-H3C(O)CH3
  600577.7355  0.0049 -5.3589 3  597.3986444 -59516140455 847 4    54 946 4      C-13-H3C(O)CH3
  600581.6487  0.0175 -5.6460 3  154.2314196  5951614042418 6 3    2315 8 3      C-13-H3C(O)CH3
  600588.1748  0.0080 -3.6608 3  597.4285888 -59516140455 947 1    54 846 1      C-13-H3C(O)CH3
  600588.1748  0.0078 -5.3916 3  597.4282888 -59516140455 847 2    54 946 2      C-13-H3C(O)CH3
  600588.1748  0.0080 -3.6608 3  597.4285888 -59516140455 847 1    54 946 1      C-13-H3C(O)CH3
  600588.1748  0.0078 -5.3916 3  597.4282888 -59516140455 947 2    54 846 2      C-13-H3C(O)CH3
  600588.1748  0.0078 -3.5503 3  597.4282888 -59516140455 947 2    54 946 2      C-13-H3C(O)CH3
  600588.1748  0.0080 -4.1717 3  597.4285888 -59516140455 947 1    54 946 1      C-13-H3C(O)CH3
  600588.1748  0.0078 -3.5503 3  597.4282888 -59516140455 847 2    54 846 2      C-13-H3C(O)CH3
  600588.1748  0.0080 -4.1717 3  597.4285888 -59516140455 847 1    54 846 1      C-13-H3C(O)CH3
  600598.3477  0.0042 -3.5459 3  597.4581888 -59516140455 847 0    54 846 0      C-13-H3C(O)CH3
  600598.3477  0.0042 -5.9201 3  597.4581888 -59516140455 847 0    54 946 0      C-13-H3C(O)CH3
  600598.3477  0.0042 -5.9201 3  597.4581888 -59516140455 947 0    54 846 0      C-13-H3C(O)CH3
  600598.3477  0.0042 -3.5459 3  597.4581888 -59516140455 947 0    54 946 0      C-13-H3C(O)CH3
  600610.1098  0.0068 -3.0883 3  289.3728488 -5951614043030 1 1    2929 1 1      C-13-H3C(O)CH3
  600631.5832  0.0060 -3.0884 3  289.4537488 -5951614043030 0 0    2929 1 0      C-13-H3C(O)CH3
  600631.5832  0.0060 -3.0884 3  289.4537488 -5951614043030 1 0    2929 0 0      C-13-H3C(O)CH3
  600631.6785  0.0083 -4.7676 3  110.1400392  59516140424 519 0    23 420 0      C-13-H3C(O)CH3
  600631.6785  0.0083 -6.2045 3  110.1400392  59516140424 519 0    23 320 0      C-13-H3C(O)CH3
  600631.6785  0.0083 -4.7785 3  110.1400392  59516140424 619 0    23 320 0      C-13-H3C(O)CH3
  600661.1732  0.2583 -5.9296 3 1471.1013D68  595161404851571 1    851372 1      C-13-H3C(O)CH3
  600661.1732  0.2583 -5.9296 3 1471.1013D68  595161404851471 1    851472 1      C-13-H3C(O)CH3
  600665.7945  0.2589 -5.9055 3 1471.1012D68  595161404851471 2    851472 2      C-13-H3C(O)CH3
  600665.7945  0.2589 -5.9055 3 1471.1012D68  595161404851571 2    851372 2      C-13-H3C(O)CH3
  600668.1881  0.0043 -3.7920 3  465.4044680  595161404422220 0    412319 0      C-13-H3C(O)CH3
  600670.4086  0.0048 -3.7920 3  465.3829680  595161404422220 1    412319 1      C-13-H3C(O)CH3
  600672.3938  0.0142 -5.2752 3  154.2263392  5951614042418 7 2    2315 8 2      C-13-H3C(O)CH3
  600680.2786  0.0061 -3.7923 3  465.3780680  595161404422220 2    412319 2      C-13-H3C(O)CH3
  600681.7999  0.0060 -4.0934 3  465.3566340  595161404422220 3    412319 3      C-13-H3C(O)CH3
  600682.9779  0.0062 -4.0933 3  465.3565340  595161404422220 4    412319 4      C-13-H3C(O)CH3
  600757.1572  0.0061 -6.1038 3  109.3987172  5951614042114 8 3    20 911 3      C-13-H3C(O)CH3
  600770.5362  0.0083 -3.3890 3  289.3059244  5951614043030 1 3    2929 1 3      C-13-H3C(O)CH3
  600780.2793  0.0083 -3.3890 3  289.3312244  5951614043030 0 3    2929 0 3      C-13-H3C(O)CH3
  600788.9092  0.1476 -6.1062 3 1471.1085684  595161404851571 3    851472 3      C-13-H3C(O)CH3
  600788.9092  0.1476 -6.1062 3 1471.1085684  595161404851471 3    851372 3      C-13-H3C(O)CH3
  600789.1367  0.1477 -6.2717 3 1471.1085684  595161404851571 4    851372 4      C-13-H3C(O)CH3
  600789.1367  0.1477 -6.2717 3 1471.1085684  595161404851471 4    851472 4      C-13-H3C(O)CH3
  600792.2326  0.0063 -3.0881 3  289.3867488 -5951614043030 0 2    2929 0 2      C-13-H3C(O)CH3
  600876.1901  0.0064 -3.0880 3  289.4013488 -5951614043030 0 1    2929 0 1      C-13-H3C(O)CH3
  600996.6940  0.0181 -5.6917 3   84.3123376  59516140423 221 2    22 022 2      C-13-H3C(O)CH3
  600996.6940  0.0181 -5.6917 3   84.3123376  59516140423 321 2    22 122 2      C-13-H3C(O)CH3
  600997.7552  0.0184 -5.6909 3   84.3128376  59516140423 221 1    22 022 1      C-13-H3C(O)CH3
  600997.7552  0.0184 -5.6909 3   84.3128376  59516140423 321 1    22 122 1      C-13-H3C(O)CH3
  601018.4161  0.1005 -6.3301 3 1178.2490A16  595161404635014 1    625112 1      C-13-H3C(O)CH3
  601026.1219  0.0066 -5.8054 3  109.3825344  5951614042114 8 1    20 911 1      C-13-H3C(O)CH3
  601036.1988  0.0085 -3.3886 3  289.3344244 -5951614043030 0 4    2929 0 4      C-13-H3C(O)CH3
  601052.6954  0.1825 -5.7269 3 1420.0855D52  595161404841371 0    841372 0      C-13-H3C(O)CH3
  601052.6954  0.1825 -5.7269 3 1420.0855D52  595161404841471 0    841272 0      C-13-H3C(O)CH3
  601063.3967  0.0042 -3.6449 3  532.9408760  595161404471830 0    461729 0      C-13-H3C(O)CH3
  601063.3967  0.0042 -3.6449 3  532.9408760  595161404471730 0    461829 0      C-13-H3C(O)CH3
  601067.4458  0.0768 -6.3300 3 1178.2515A16  595161404635014 0    625111 0      C-13-H3C(O)CH3
  601067.4458  0.0768 -6.3300 3 1178.2515A16  595161404635013 0    625112 0      C-13-H3C(O)CH3
  601085.3902  0.0060 -3.6448 3  532.9165760  595161404471830 1    461729 1      C-13-H3C(O)CH3
  601085.3902  0.0060 -3.6448 3  532.9165760  595161404471730 1    461829 1      C-13-H3C(O)CH3
  601089.2880  0.0061 -3.6448 3  532.9153760  595161404471730 2    461829 2      C-13-H3C(O)CH3
  601089.2880  0.0061 -3.6448 3  532.9153760  595161404471830 2    461729 2      C-13-H3C(O)CH3
  601111.3204  0.0065 -3.9458 3  532.8910380  595161404471730 3    461829 3      C-13-H3C(O)CH3
  601111.3204  0.0065 -3.9458 3  532.8910380  595161404471830 3    461729 3      C-13-H3C(O)CH3
  601111.3252  0.0065 -3.9458 3  532.8910380  595161404471730 4    461829 4      C-13-H3C(O)CH3
  601111.3252  0.0065 -3.9458 3  532.8910380  595161404471830 4    461729 4      C-13-H3C(O)CH3
  601143.4307  0.0064 -5.8043 3  109.3797344  5951614042114 8 2    20 911 2      C-13-H3C(O)CH3
  601186.7443  0.1028 -6.3303 3 1178.2411A16  595161404635014 2    625112 2      C-13-H3C(O)CH3
  601197.1606  0.0058 -4.3190 3  199.7166228  595161404281613 4    271314 4      C-13-H3C(O)CH3
  601198.7433  0.2214 -5.7384 3 1420.0869D52  595161404841371 1    841272 1      C-13-H3C(O)CH3
  601198.7433  0.2214 -5.7384 3 1420.0869D52  595161404841471 1    841372 1      C-13-H3C(O)CH3
  601199.3490  0.0048 -4.3190 3  199.7166228  595161404281613 3    271314 3      C-13-H3C(O)CH3
  601201.3898  0.2232 -6.1474 3 1420.0867D52  595161404841471 2    841372 2      C-13-H3C(O)CH3
  601201.3898  0.2232 -5.8261 3 1420.0867D52  595161404841371 2    841372 2      C-13-H3C(O)CH3
  601201.3898  0.2232 -5.9338 3 1420.0867D52  595161404841471 2    841272 2      C-13-H3C(O)CH3
  601217.9592  0.1030 -6.3302 3 1178.2766A16  595161404635013 1    625111 1      C-13-H3C(O)CH3
  601253.3566  0.0073 -3.6892 3  291.9336536  595161404332112 2    322013 2      C-13-H3C(O)CH3
  601284.8913  0.0048 -4.0180 3  199.7240456  595161404281613 2    271314 2      C-13-H3C(O)CH3
  601309.7174  0.0061 -3.6899 3  291.9559536  595161404332112 0    322013 0      C-13-H3C(O)CH3
  601318.4553  0.0047 -4.0179 3  199.7283456  595161404281613 1    271314 1      C-13-H3C(O)CH3
  601328.8765  0.0087 -3.9913 3  291.9144268  595161404332112 4    322013 4      C-13-H3C(O)CH3
  601340.7958  0.0132 -5.5043 3  142.6427188  5951614042318 6 4    2215 8 4      C-13-H3C(O)CH3
  601341.5728  0.1122 -6.3303 3 1178.2793A16  595161404635013 2    625111 2      C-13-H3C(O)CH3
  601347.6031  0.0096 -3.9918 3  291.9145268  595161404332112 3    322013 3      C-13-H3C(O)CH3
  601347.6189  0.1347 -6.1593 3 1420.0880676  595161404841471 3    841372 3      C-13-H3C(O)CH3
  601347.6189  0.1347 -6.1593 3 1420.0880676  595161404841371 3    841272 3      C-13-H3C(O)CH3
  601347.8668  0.1348 -6.1014 3 1420.0880676  595161404841471 4    841372 4      C-13-H3C(O)CH3
  601347.8668  0.1348 -6.1014 3 1420.0880676  595161404841371 4    841272 4      C-13-H3C(O)CH3
  601393.4698  0.0070 -3.6912 3  291.9369536  595161404332112 1    322013 1      C-13-H3C(O)CH3
  601404.4602  0.0049 -4.0179 3  199.7357456  595161404281613 0    271314 0      C-13-H3C(O)CH3
  601549.3685  0.0065 -5.8002 3  109.3635344  5951614042114 8 0    20 911 0      C-13-H3C(O)CH3
  601559.8740  0.1522 -6.2274 3 1369.6538D36  595161404831371 0    831272 0      C-13-H3C(O)CH3
  601559.8740  0.1522 -5.7891 3 1369.6538D36  595161404831371 0    831172 0      C-13-H3C(O)CH3
  601559.8740  0.1522 -5.7891 3 1369.6538D36  595161404831271 0    831272 0      C-13-H3C(O)CH3
  601559.8740  0.1522 -6.2274 3 1369.6538D36  595161404831271 0    831172 0      C-13-H3C(O)CH3
  601601.8575  0.0179 -6.1122 3  604.9458776  595161404482424 0    482127 0      C-13-H3C(O)CH3
  601618.4323  0.0178 -6.1122 3  604.9458776  595161404482524 0    482227 0      C-13-H3C(O)CH3
  601623.7704  0.0136 -5.2278 3  154.2325392  5951614042418 6 1    2315 8 1      C-13-H3C(O)CH3
  601657.4311  0.0176 -5.6950 3   84.2419376  59516140423 321 0    22 122 0      C-13-H3C(O)CH3
  601657.4311  0.0176 -5.6950 3   84.2419376  59516140423 221 0    22 022 0      C-13-H3C(O)CH3
  601683.2831  0.0045 -5.1033 3  604.0169452 -59516140456 749 3    55 848 3      C-13-H3C(O)CH3
  601683.2831  0.0045 -3.8607 3  604.0169452 -59516140456 749 3    55 748 3      C-13-H3C(O)CH3
  601683.2831  0.0046 -4.9489 3  604.0169452 -59516140456 749 4    55 848 4      C-13-H3C(O)CH3
  601683.2831  0.0046 -3.8714 3  604.0169452 -59516140456 749 4    55 748 4      C-13-H3C(O)CH3
  601683.2831  0.0045 -3.8607 3  604.0169452 -59516140456 849 3    55 848 3      C-13-H3C(O)CH3
  601683.2831  0.0267 -6.1121 3  604.9282776 -595161404482424 2    482127 2      C-13-H3C(O)CH3
  601683.2831  0.0045 -5.1033 3  604.0169452 -59516140456 849 3    55 748 3      C-13-H3C(O)CH3
  601683.2831  0.0046 -4.9489 3  604.0169452 -59516140456 849 4    55 748 4      C-13-H3C(O)CH3
  601683.2831  0.0046 -3.8714 3  604.0169452 -59516140456 849 4    55 848 4      C-13-H3C(O)CH3
  601698.5750  0.0074 -3.6022 3  604.0450904 -59516140456 749 2    55 748 2      C-13-H3C(O)CH3
  601698.5750  0.0074 -4.3822 3  604.0450904 -59516140456 749 2    55 848 2      C-13-H3C(O)CH3
  601698.5750  0.0075 -4.6579 3  604.0453904 -59516140456 749 1    55 848 1      C-13-H3C(O)CH3
  601698.5750  0.0074 -4.3822 3  604.0450904 -59516140456 849 2    55 748 2      C-13-H3C(O)CH3
  601698.5750  0.0074 -3.6022 3  604.0450904 -59516140456 849 2    55 848 2      C-13-H3C(O)CH3
  601698.5750  0.0075 -4.6579 3  604.0453904 -59516140456 849 1    55 748 1      C-13-H3C(O)CH3
  601698.5750  0.0075 -3.5696 3  604.0453904 -59516140456 849 1    55 848 1      C-13-H3C(O)CH3
  601698.5750  0.0075 -3.5696 3  604.0453904 -59516140456 749 1    55 748 1      C-13-H3C(O)CH3
  601701.7704  0.0265 -6.1121 3  604.9282776  595161404482524 2    482227 2      C-13-H3C(O)CH3
  601705.1659  0.0195 -6.1112 3  604.9295776  595161404482424 1    482127 1      C-13-H3C(O)CH3
  601713.9445  0.0042 -3.8799 3  604.0733904 -59516140456 849 0    55 848 0      C-13-H3C(O)CH3
  601713.9445  0.0042 -3.7972 3  604.0733904 -59516140456 749 0    55 848 0      C-13-H3C(O)CH3
  601713.9445  0.0042 -3.8799 3  604.0733904 -59516140456 749 0    55 748 0      C-13-H3C(O)CH3
  601713.9445  0.0042 -3.7972 3  604.0733904 -59516140456 849 0    55 748 0      C-13-H3C(O)CH3
  601718.0416  0.0179 -5.4897 3  154.2349196  5951614042418 6 4    2315 8 4      C-13-H3C(O)CH3
  601722.6619  0.0195 -6.1112 3  604.9295776  595161404482524 1    482227 1      C-13-H3C(O)CH3
  601723.8083  0.1794 -5.7066 3 1369.6486D36  595161404831371 1    831272 1      C-13-H3C(O)CH3
  601723.8083  0.1794 -5.7066 3 1369.6486D36  595161404831271 1    831172 1      C-13-H3C(O)CH3
  601724.7722  0.1817 -6.0632 3 1369.6484D36  595161404831271 2    831172 2      C-13-H3C(O)CH3
  601724.7722  0.1817 -5.8682 3 1369.6484D36  595161404831271 2    831272 2      C-13-H3C(O)CH3
  601724.7722  0.1817 -6.0632 3 1369.6484D36  595161404831371 2    831272 2      C-13-H3C(O)CH3
  601724.7722  0.1817 -5.8682 3 1369.6484D36  595161404831371 2    831172 2      C-13-H3C(O)CH3
  601729.8999  0.0103 -4.9621 3  154.2257392  5951614042418 7 0    2315 8 0      C-13-H3C(O)CH3
  601888.8860  0.1212 -5.9655 3 1369.6431668  595161404831271 3    831172 3      C-13-H3C(O)CH3
  601888.8860  0.1212 -5.9655 3 1369.6431668  595161404831371 3    831272 3      C-13-H3C(O)CH3
  601889.1405  0.1213 -5.9912 3 1369.6430668  595161404831371 4    831272 4      C-13-H3C(O)CH3
  601889.1405  0.1213 -5.9912 3 1369.6430668  595161404831271 4    831172 4      C-13-H3C(O)CH3
  601894.2867  0.0042 -5.8818 3  544.5740776  595161404481632 0    471631 0      C-13-H3C(O)CH3
  601894.2867  0.0042 -3.6326 3  544.5740776  595161404481632 0    471731 0      C-13-H3C(O)CH3
  601894.2867  0.0042 -3.6345 3  544.5740776  595161404481732 0    471631 0      C-13-H3C(O)CH3
  601914.6969  0.0140 -5.2501 3  154.2263392  5951614042418 6 2    2315 8 2      C-13-H3C(O)CH3
  601914.7859  0.0064 -3.6839 3  544.5490776  595161404481732 1    471731 1      C-13-H3C(O)CH3
  601914.7859  0.0064 -3.6808 3  544.5490776  595161404481632 1    471631 1      C-13-H3C(O)CH3
  601914.7859  0.0064 -4.5808 3  544.5490776  595161404481632 1    471731 1      C-13-H3C(O)CH3
  601914.7859  0.0064 -4.6056 3  544.5490776  595161404481732 1    471631 1      C-13-H3C(O)CH3
  601917.7808  0.0065 -3.6750 3  544.5480776  595161404481632 2    471731 2      C-13-H3C(O)CH3
  601917.7808  0.0065 -4.6576 3  544.5480776  595161404481632 2    471631 2      C-13-H3C(O)CH3
  601917.7808  0.0065 -4.6576 3  544.5480776  595161404481732 2    471731 2      C-13-H3C(O)CH3
  601917.7808  0.0065 -3.6750 3  544.5480776  595161404481732 2    471631 2      C-13-H3C(O)CH3
  601938.3177  0.0066 -4.0527 3  544.5229388  595161404481732 3    471731 3      C-13-H3C(O)CH3
  601938.3177  0.0066 -4.0527 3  544.5229388  595161404481632 3    471631 3      C-13-H3C(O)CH3
  601938.3177  0.0066 -4.5511 3  544.5229388  595161404481632 3    471731 3      C-13-H3C(O)CH3
  601938.3177  0.0066 -4.5511 3  544.5229388  595161404481732 3    471631 3      C-13-H3C(O)CH3
  601938.3193  0.0066 -4.4429 3  544.5229388  595161404481732 4    471731 4      C-13-H3C(O)CH3
  601938.3193  0.0066 -4.0936 3  544.5229388  595161404481632 4    471731 4      C-13-H3C(O)CH3
  601938.3193  0.0066 -4.0630 3  544.5229388  595161404481732 4    471631 4      C-13-H3C(O)CH3
  601938.3193  0.0066 -4.5202 3  544.5229388  595161404481632 4    471631 4      C-13-H3C(O)CH3
  602063.4917  0.1212 -5.5938 3 1319.7993D20  595161404821171 0    821172 0      C-13-H3C(O)CH3
  602063.4917  0.1212 -5.5938 3 1319.7993D20  595161404821271 0    821072 0      C-13-H3C(O)CH3
  602225.8447  0.0105 -5.2668 3  142.6542376  5951614042318 6 1    2215 8 1      C-13-H3C(O)CH3
  602237.1758  0.1385 -5.5922 3 1319.7869D20  595161404821271 2    821072 2      C-13-H3C(O)CH3
  602237.1758  0.1385 -5.5922 3 1319.7869D20  595161404821171 2    821172 2      C-13-H3C(O)CH3
  602237.4633  0.1368 -6.2943 3 1319.7871D20  595161404821171 1    821072 1      C-13-H3C(O)CH3
  602237.4633  0.1368 -5.6797 3 1319.7871D20  595161404821171 1    821172 1      C-13-H3C(O)CH3
  602237.4633  0.1368 -6.2943 3 1319.7871D20  595161404821271 1    821172 1      C-13-H3C(O)CH3
  602237.4633  0.1368 -5.6797 3 1319.7871D20  595161404821271 1    821072 1      C-13-H3C(O)CH3
  602260.6217  0.0050 -3.4595 3  292.0505252  5951614043128 4 4    3027 3 4      C-13-H3C(O)CH3
  602309.7097  0.0156 -5.6911 3  142.6588188  5951614042318 6 3    2215 8 3      C-13-H3C(O)CH3
  602332.8005  0.0040 -3.1584 3  292.1124504 -5951614043128 3 2    3027 3 2      C-13-H3C(O)CH3
  602350.6657  0.0041 -3.1584 3  292.0938504 -5951614043128 4 1    3027 4 1      C-13-H3C(O)CH3
  602358.6579  0.0045 -3.7890 3  465.3614680 -595161404422320 0    412219 0      C-13-H3C(O)CH3
  602384.1648  0.0052 -3.7890 3  465.3394680  595161404422320 1    412219 1      C-13-H3C(O)CH3
  602411.3138  0.1081 -5.8860 3 1319.7747660  595161404821171 3    821072 3      C-13-H3C(O)CH3
  602411.3138  0.1081 -5.8860 3 1319.7747660  595161404821271 3    821172 3      C-13-H3C(O)CH3
  602411.5527  0.1081 -5.9632 3 1319.7747660  595161404821171 4    821172 4      C-13-H3C(O)CH3
  602411.5527  0.1081 -5.9632 3 1319.7747660  595161404821271 4    821072 4      C-13-H3C(O)CH3
  602423.5091  0.0039 -3.1583 3  292.1556504 -5951614043128 3 0    3027 4 0      C-13-H3C(O)CH3
  602423.5091  0.0039 -3.1583 3  292.1556504 -5951614043128 4 0    3027 3 0      C-13-H3C(O)CH3
  602432.9428  0.0049 -3.7891 3  465.3336680  595161404422320 2    412219 2      C-13-H3C(O)CH3
  602453.3060  0.0050 -3.4592 3  292.0405252  5951614043128 4 3    3027 4 3      C-13-H3C(O)CH3
  602457.4841  0.0050 -4.0901 3  465.3115340  595161404422320 4    412219 4      C-13-H3C(O)CH3
  602459.1455  0.0054 -4.0901 3  465.3115340  595161404422320 3    412219 3      C-13-H3C(O)CH3
  602505.1471  0.0049 -3.4591 3  292.0564252  5951614043128 3 3    3027 3 3      C-13-H3C(O)CH3
  602506.1982  0.0098 -6.2201 3  399.1710648  595161404401723 0    401426 0      C-13-H3C(O)CH3
  602506.2315  0.0098 -6.2201 3  399.1710648  595161404401823 0    401526 0      C-13-H3C(O)CH3
  602521.4362  0.0115 -6.2209 3  399.1418648  595161404401723 2    401426 2      C-13-H3C(O)CH3
  602521.4728  0.0115 -6.2209 3  399.1418648  595161404401823 2    401526 2      C-13-H3C(O)CH3
  602525.6981  0.0040 -3.1581 3  292.1021504 -5951614043128 4 2    3027 4 2      C-13-H3C(O)CH3
  602544.4161  0.0112 -6.2189 3  399.1433648  595161404401723 1    401426 1      C-13-H3C(O)CH3
  602544.4510  0.0112 -6.2189 3  399.1433648  595161404401823 1    401526 1      C-13-H3C(O)CH3
  602547.4708  0.0110 -5.2973 3  142.6580376  5951614042318 6 2    2215 8 2      C-13-H3C(O)CH3
  602550.3605  0.0167 -5.7435 3  142.6588188  5951614042318 5 3    2215 8 3      C-13-H3C(O)CH3
  602567.8827  0.0926 -5.5844 3 1270.5223D04  595161404811171 0    811072 0      C-13-H3C(O)CH3
  602567.8827  0.0926 -5.5844 3 1270.5223D04  595161404811071 0    81 972 0      C-13-H3C(O)CH3
  602595.3147  0.0040 -3.1579 3  292.0995504 -5951614043128 3 1    3027 3 1      C-13-H3C(O)CH3
  602697.0994  0.0055 -3.4588 3  292.0462252  5951614043128 3 4    3027 4 4      C-13-H3C(O)CH3
  602739.9630  0.1016 -5.5830 3 1270.5031D04  595161404811071 2    811072 2      C-13-H3C(O)CH3
  602739.9630  0.1016 -5.5830 3 1270.5031D04  595161404811171 2    81 972 2      C-13-H3C(O)CH3
  602740.9677  0.1015 -5.7141 3 1270.5032D04  595161404811171 1    81 972 1      C-13-H3C(O)CH3
  602740.9677  0.1015 -5.9673 3 1270.5032D04  595161404811171 1    811072 1      C-13-H3C(O)CH3
  602740.9677  0.1015 -5.9673 3 1270.5032D04  595161404811071 1    81 972 1      C-13-H3C(O)CH3
  602740.9677  0.1015 -5.7141 3 1270.5032D04  595161404811071 1    811072 1      C-13-H3C(O)CH3
  602798.6931  0.0042 -3.8504 3  610.0961460  59516140457 651 4    56 650 4      C-13-H3C(O)CH3
  602798.6931  0.0042 -5.1207 3  610.0961460  59516140457 651 4    56 750 4      C-13-H3C(O)CH3
  602798.6931  0.0042 -3.8504 3  610.0961460  59516140457 751 4    56 750 4      C-13-H3C(O)CH3
  602798.6931  0.0042 -5.1207 3  610.0961460  59516140457 751 4    56 650 4      C-13-H3C(O)CH3
  602798.7485  0.0042 -4.5993 3  610.0961460  59516140457 651 3    56 750 3      C-13-H3C(O)CH3
  602798.7485  0.0042 -4.5993 3  610.0961460  59516140457 751 3    56 650 3      C-13-H3C(O)CH3
  602798.7485  0.0042 -3.9082 3  610.0961460  59516140457 751 3    56 750 3      C-13-H3C(O)CH3
  602798.7485  0.0042 -3.9082 3  610.0961460  59516140457 651 3    56 650 3      C-13-H3C(O)CH3
  602804.8360  0.0043 -3.6712 3  555.6332792  595161404491534 0    481633 0      C-13-H3C(O)CH3
  602804.8360  0.0043 -4.5836 3  555.6332792  595161404491634 0    481633 0      C-13-H3C(O)CH3
  602804.8360  0.0043 -4.5836 3  555.6332792  595161404491534 0    481533 0      C-13-H3C(O)CH3
  602804.8360  0.0043 -3.6712 3  555.6332792  595161404491634 0    481533 0      C-13-H3C(O)CH3
  602818.7433  0.0068 -3.7593 3  610.1217920  59516140457 651 1    56 650 1      C-13-H3C(O)CH3
  602818.7433  0.0068 -3.9090 3  610.1217920  59516140457 651 1    56 750 1      C-13-H3C(O)CH3
  602818.7433  0.0068 -3.7593 3  610.1217920  59516140457 751 1    56 750 1      C-13-H3C(O)CH3
  602818.7433  0.0068 -3.9090 3  610.1217920  59516140457 751 1    56 650 1      C-13-H3C(O)CH3
  602819.1539  0.0066 -3.7150 3  610.1213920  59516140457 751 2    56 750 2      C-13-H3C(O)CH3
  602819.1539  0.0066 -3.7150 3  610.1213920  59516140457 651 2    56 650 2      C-13-H3C(O)CH3
  602819.1539  0.0066 -3.9805 3  610.1213920  59516140457 751 2    56 650 2      C-13-H3C(O)CH3
  602819.1539  0.0066 -3.9805 3  610.1213920  59516140457 651 2    56 750 2      C-13-H3C(O)CH3
  602820.6778  0.0753 -5.5017 3  921.2638920  595161404574018 2    564115 2      C-13-H3C(O)CH3
  602823.2667  0.0067 -5.0871 3  555.6073792  595161404491634 1    481533 1      C-13-H3C(O)CH3
  602823.2667  0.0067 -3.6362 3  555.6073792  595161404491634 1    481633 1      C-13-H3C(O)CH3
  602823.2667  0.0067 -5.0871 3  555.6073792  595161404491534 1    481633 1      C-13-H3C(O)CH3
  602823.2667  0.0067 -3.6362 3  555.6073792  595161404491534 1    481533 1      C-13-H3C(O)CH3
  602825.6055  0.0068 -3.6214 3  555.6065792  595161404491534 2    481533 2      C-13-H3C(O)CH3
  602825.6055  0.0068 -3.6214 3  555.6065792  595161404491634 2    481633 2      C-13-H3C(O)CH3
  602839.5023  0.0040 -4.5973 3  610.1469920 -59516140457 751 0    56 650 0      C-13-H3C(O)CH3
  602839.5023  0.0040 -3.5653 3  610.1469920 -59516140457 751 0    56 750 0      C-13-H3C(O)CH3
  602839.5023  0.0040 -4.5973 3  610.1469920 -59516140457 651 0    56 750 0      C-13-H3C(O)CH3
  602839.5023  0.0040 -3.5653 3  610.1469920 -59516140457 651 0    56 650 0      C-13-H3C(O)CH3
  602844.0680  0.0066 -4.3419 3  555.5806396  595161404491534 4    481533 4      C-13-H3C(O)CH3
  602844.0680  0.0066 -4.3419 3  555.5806396  595161404491634 4    481633 4      C-13-H3C(O)CH3
  602844.0680  0.0066 -4.1299 3  555.5806396  595161404491634 4    481533 4      C-13-H3C(O)CH3
  602844.0680  0.0066 -4.1299 3  555.5806396  595161404491534 4    481633 4      C-13-H3C(O)CH3
  602844.0712  0.0066 -4.0139 3  555.5806396  595161404491534 3    481533 3      C-13-H3C(O)CH3
  602844.0712  0.0066 -4.6416 3  555.5806396  595161404491634 3    481533 3      C-13-H3C(O)CH3
  602844.0712  0.0066 -4.6416 3  555.5806396  595161404491534 3    481633 3      C-13-H3C(O)CH3
  602844.0712  0.0066 -4.0139 3  555.5806396  595161404491634 3    481633 3      C-13-H3C(O)CH3
  602844.3028  0.0744 -5.8026 3  921.2982460  595161404574018 4    564115 4      C-13-H3C(O)CH3
  602913.1898  0.0961 -5.8325 3 1270.4840652  595161404811171 3    81 972 3      C-13-H3C(O)CH3
  602913.1898  0.0961 -5.8325 3 1270.4840652  595161404811071 3    811072 3      C-13-H3C(O)CH3
  602913.3812  0.0961 -6.0448 3 1270.4840652  595161404811071 4    81 972 4      C-13-H3C(O)CH3
  602913.3812  0.0961 -6.0448 3 1270.4840652  595161404811171 4    811072 4      C-13-H3C(O)CH3
  602913.3812  0.0961 -6.2189 3 1270.4840652  595161404811171 4    81 972 4      C-13-H3C(O)CH3
  602913.3812  0.0961 -6.2189 3 1270.4840652  595161404811071 4    811072 4      C-13-H3C(O)CH3
  602923.6908  0.0824 -5.5017 3  921.2183920  595161404574018 0    564115 0      C-13-H3C(O)CH3
  602927.7792  0.0824 -5.5017 3  921.2183920  595161404574017 0    564116 0      C-13-H3C(O)CH3
  602948.3262  0.0842 -5.5017 3  921.2527920  595161404574018 1    564116 1      C-13-H3C(O)CH3
  603048.2971  0.0683 -5.8029 3  921.2993460  595161404574018 3    564115 3      C-13-H3C(O)CH3
  603058.4063  0.0146 -3.8401 3  386.9856616  595161404382316 1    372215 1      C-13-H3C(O)CH3
  603078.0352  0.0710 -5.4636 3 1221.8227C88  59516140480 971 0    80 872 0      C-13-H3C(O)CH3
  603078.0352  0.0710 -5.4636 3 1221.8227C88  595161404801071 0    80 972 0      C-13-H3C(O)CH3
  603117.7982  0.0138 -3.8402 3  387.0042616 -595161404382316 0    372215 0      C-13-H3C(O)CH3
  603153.8021  0.0775 -5.5016 3  921.2538920  595161404574017 1    564115 1      C-13-H3C(O)CH3
  603167.9885  0.0693 -5.5016 3  921.2624920  595161404574017 2    564116 2      C-13-H3C(O)CH3
  603190.6740  0.0643 -5.8030 3  921.2968460  595161404574017 3    564116 3      C-13-H3C(O)CH3
  603229.1809  0.0313 -4.3368 3  473.8438340  595161404422418 3    412517 3      C-13-H3C(O)CH3
  603234.6279  0.0843 -6.0481 3 1221.7975C88  595161404801071 2    80 872 2      C-13-H3C(O)CH3
  603234.6279  0.0843 -5.5941 3 1221.7975C88  59516140480 971 2    80 872 2      C-13-H3C(O)CH3
  603234.6279  0.0843 -5.5941 3 1221.7975C88  595161404801071 2    80 972 2      C-13-H3C(O)CH3
  603234.6279  0.0843 -6.0481 3 1221.7975C88  59516140480 971 2    80 972 2      C-13-H3C(O)CH3
  603235.7652  0.0866 -6.3682 3 1221.7976C88  59516140480 971 1    80 972 1      C-13-H3C(O)CH3
  603235.7652  0.0866 -5.5210 3 1221.7976C88  59516140480 971 1    80 872 1      C-13-H3C(O)CH3
  603235.7652  0.0866 -5.5210 3 1221.7976C88  595161404801071 1    80 972 1      C-13-H3C(O)CH3
  603235.7652  0.0866 -6.3682 3 1221.7976C88  595161404801071 1    80 872 1      C-13-H3C(O)CH3
  603250.4644  0.0311 -4.3368 3  473.8433340  595161404422418 4    412517 4      C-13-H3C(O)CH3
  603363.2069  0.0316 -4.0350 3  473.8618680  595161404422418 2    412517 2      C-13-H3C(O)CH3
  603368.8677  0.0184 -4.1403 3  386.9496308  595161404382316 4    372215 4      C-13-H3C(O)CH3
  603376.3816  0.0188 -4.1403 3  386.9495308  595161404382316 3    372215 3      C-13-H3C(O)CH3
  603392.4654  0.0861 -5.7920 3 1221.7723644  595161404801071 3    80 972 3      C-13-H3C(O)CH3
  603392.4654  0.0861 -5.7900 3 1221.7723644  59516140480 971 3    80 872 3      C-13-H3C(O)CH3
  603392.5671  0.0861 -5.8398 3 1221.7723644  595161404801071 4    80 872 4      C-13-H3C(O)CH3
  603392.5671  0.0861 -5.8398 3 1221.7723644  59516140480 971 4    80 972 4      C-13-H3C(O)CH3
  603396.7471  0.0721 -5.8025 3  921.2979460  595161404574017 4    564116 4      C-13-H3C(O)CH3
  603437.4638  0.0173 -3.8394 3  386.9681616  595161404382316 2    372215 2      C-13-H3C(O)CH3
  603499.7207  0.0651 -6.1501 3 1129.5958A00  595161404624815 0    614912 0      C-13-H3C(O)CH3
  603499.7207  0.0651 -6.1501 3 1129.5958A00  595161404624814 0    614913 0      C-13-H3C(O)CH3
  603551.5905  0.0871 -6.1502 3 1129.5991A00  595161404624815 1    614913 1      C-13-H3C(O)CH3
  603599.5967  0.0179 -4.0333 3  473.8656680  595161404422418 1    412517 1      C-13-H3C(O)CH3
  603599.6289  0.0615 -6.1532 3 1173.7007C72  59516140479 871 0    79 772 0      C-13-H3C(O)CH3
  603599.6289  0.0615 -5.4988 3 1173.7007C72  59516140479 871 0    79 872 0      C-13-H3C(O)CH3
  603599.6289  0.0615 -5.4988 3 1173.7007C72  59516140479 971 0    79 772 0      C-13-H3C(O)CH3
  603599.6289  0.0615 -6.1532 3 1173.7007C72  59516140479 971 0    79 872 0      C-13-H3C(O)CH3
  603651.4480  0.0091 -5.1183 3  142.6621376  5951614042318 5 0    2215 8 0      C-13-H3C(O)CH3
  603676.9900  0.0771 -5.2753 3  709.2856412  595161404513121 4    503218 4      C-13-H3C(O)CH3
  603701.8379  0.0869 -6.1502 3 1129.6260A00  595161404624814 1    614912 1      C-13-H3C(O)CH3
  603713.9059  0.0826 -6.1504 3 1129.5947A00  595161404624815 2    614913 2      C-13-H3C(O)CH3
  603722.7983  0.0940 -5.5939 3 1173.6707C72  59516140479 871 2    79 772 2      C-13-H3C(O)CH3
  603722.7983  0.0940 -5.8765 3 1173.6707C72  59516140479 871 2    79 872 2      C-13-H3C(O)CH3
  603722.7983  0.0940 -5.5939 3 1173.6707C72  59516140479 971 2    79 872 2      C-13-H3C(O)CH3
  603722.7983  0.0940 -5.8765 3 1173.6707C72  59516140479 971 2    79 772 2      C-13-H3C(O)CH3
  603723.5020  0.0970 -6.2401 3 1173.6708C72  59516140479 971 1    79 772 1      C-13-H3C(O)CH3
  603723.5020  0.0970 -6.2401 3 1173.6708C72  59516140479 871 1    79 872 1      C-13-H3C(O)CH3
  603723.5020  0.0970 -5.4813 3 1173.6708C72  59516140479 971 1    79 872 1      C-13-H3C(O)CH3
  603723.5020  0.0970 -5.4813 3 1173.6708C72  59516140479 871 1    79 772 1      C-13-H3C(O)CH3
  603725.3230  0.0200 -4.0326 3  473.8838680  595161404422418 0    412517 0      C-13-H3C(O)CH3
  603759.5413  0.0044 -3.5490 3  296.4782260  5951614043226 6 4    3125 6 4      C-13-H3C(O)CH3
  603761.0447  0.0977 -6.1503 3 1129.6326A00  595161404624814 2    614912 2      C-13-H3C(O)CH3
  603771.2020  0.0043 -5.4888 3  566.1273808  595161404501436 0    491535 0      C-13-H3C(O)CH3
  603771.2020  0.0043 -3.6172 3  566.1273808  595161404501436 0    491435 0      C-13-H3C(O)CH3
  603771.2020  0.0043 -3.6172 3  566.1273808  595161404501536 0    491535 0      C-13-H3C(O)CH3
  603771.2020  0.0043 -5.4888 3  566.1273808  595161404501536 0    491435 0      C-13-H3C(O)CH3
  603787.0419  0.0071 -3.7603 3  566.1005808  595161404501536 1    491435 1      C-13-H3C(O)CH3
  603787.0419  0.0071 -3.7603 3  566.1005808  595161404501436 1    491535 1      C-13-H3C(O)CH3
  603787.0419  0.0071 -4.1484 3  566.1005808  595161404501436 1    491435 1      C-13-H3C(O)CH3
  603787.0419  0.0071 -4.1484 3  566.1005808  595161404501536 1    491535 1      C-13-H3C(O)CH3
  603788.8921  0.0072 -3.7773 3  566.0998808  595161404501536 2    491535 2      C-13-H3C(O)CH3
  603788.8921  0.0072 -4.0310 3  566.0998808  595161404501536 2    491435 2      C-13-H3C(O)CH3
  603788.8921  0.0072 -4.1093 3  566.0998808  595161404501436 2    491535 2      C-13-H3C(O)CH3
  603788.8921  0.0072 -3.8193 3  566.0998808  595161404501436 2    491435 2      C-13-H3C(O)CH3
  603792.7032  0.0723 -5.7350 3  999.8439952  595161404594317 0    584414 0      C-13-H3C(O)CH3
  603792.7617  0.0723 -5.7350 3  999.8439952  595161404594316 0    584415 0      C-13-H3C(O)CH3
  603804.7544  0.0066 -4.0374 3  566.0729404  595161404501436 4    491535 4      C-13-H3C(O)CH3
  603804.7544  0.0066 -4.0374 3  566.0729404  595161404501536 4    491435 4      C-13-H3C(O)CH3
  603804.7544  0.0066 -4.5138 3  566.0729404  595161404501436 4    491435 4      C-13-H3C(O)CH3
  603804.7544  0.0066 -4.5138 3  566.0729404  595161404501536 4    491535 4      C-13-H3C(O)CH3
  603804.7637  0.0066 -5.0100 3  566.0729404  595161404501436 3    491535 3      C-13-H3C(O)CH3
  603804.7637  0.0066 -3.9484 3  566.0729404  595161404501436 3    491435 3      C-13-H3C(O)CH3
  603804.7637  0.0066 -5.0100 3  566.0729404  595161404501536 3    491435 3      C-13-H3C(O)CH3
  603804.7637  0.0066 -3.9484 3  566.0729404  595161404501536 3    491535 3      C-13-H3C(O)CH3
  603826.0381  0.0037 -3.2478 3  296.5040520 -5951614043226 6 1    3125 6 1      C-13-H3C(O)CH3
  603846.6991  0.0781 -5.7162 3 1173.6408636  59516140479 971 4    79 772 4      C-13-H3C(O)CH3
  603846.6991  0.0781 -5.7162 3 1173.6408636  59516140479 871 4    79 872 4      C-13-H3C(O)CH3
  603846.7371  0.0781 -5.9309 3 1173.6408636  59516140479 971 3    79 772 3      C-13-H3C(O)CH3
  603846.7371  0.0781 -6.1152 3 1173.6408636  59516140479 971 3    79 872 3      C-13-H3C(O)CH3
  603846.7371  0.0781 -6.2494 3 1173.6408636  59516140479 871 3    79 772 3      C-13-H3C(O)CH3
  603846.7371  0.0781 -5.8613 3 1173.6408636  59516140479 871 3    79 872 3      C-13-H3C(O)CH3
  603858.7869  0.0037 -3.2477 3  296.5200520 -5951614043226 6 2    3125 6 2      C-13-H3C(O)CH3
  603870.8738  0.0731 -5.7350 3  999.8929952  595161404594316 2    584414 2      C-13-H3C(O)CH3
  603903.9077  0.0042 -3.5489 3  296.4684260  5951614043226 7 3    3125 7 3      C-13-H3C(O)CH3
  603915.7559  0.0149 -5.6439 3  142.6542376  5951614042318 5 1    2215 8 1      C-13-H3C(O)CH3
  603923.4439  0.0039 -4.4081 3  615.6377468  59516140458 553 4    57 652 4      C-13-H3C(O)CH3
  603923.4439  0.0039 -3.9479 3  615.6377468  59516140458 653 4    57 652 4      C-13-H3C(O)CH3
  603923.4927  0.0039 -4.0170 3  615.6377468  59516140458 553 3    57 552 3      C-13-H3C(O)CH3
  603923.4927  0.0039 -4.2544 3  615.6377468  59516140458 653 3    57 552 3      C-13-H3C(O)CH3
  603923.5139  0.0039 -4.4081 3  615.6377468 -59516140458 653 4    57 552 4      C-13-H3C(O)CH3
  603923.5139  0.0039 -4.0170 3  615.6377468 -59516140458 653 3    57 652 3      C-13-H3C(O)CH3
  603923.5139  0.0039 -3.9479 3  615.6377468 -59516140458 553 4    57 552 4      C-13-H3C(O)CH3
  603923.5139  0.0039 -4.2544 3  615.6377468 -59516140458 553 3    57 652 3      C-13-H3C(O)CH3
  603925.3095  0.0032 -3.2475 3  296.5456520 -5951614043226 6 0    3125 7 0      C-13-H3C(O)CH3
  603925.3095  0.0032 -3.2475 3  296.5456520 -5951614043226 7 0    3125 6 0      C-13-H3C(O)CH3
  603946.5792  0.1603 -5.6365 3  744.6939420  595161404523320 4    513417 4      C-13-H3C(O)CH3
  603946.6879  0.0745 -5.7349 3  999.8817952  595161404594316 1    584414 1      C-13-H3C(O)CH3
  603947.7948  0.0058 -3.5176 3  615.6586936  59516140458 653 1    57 652 1      C-13-H3C(O)CH3
  603948.0540  0.0058 -3.5176 3  615.6586936 -59516140458 553 1    57 552 1      C-13-H3C(O)CH3
  603948.0540  0.0056 -3.5190 3  615.6583936 -59516140458 653 2    57 652 2      C-13-H3C(O)CH3
  603948.0540  0.0056 -6.0250 3  615.6583936 -59516140458 553 2    57 652 2      C-13-H3C(O)CH3
  603948.1029  0.0056 -6.0250 3  615.6583936  59516140458 653 2    57 552 2      C-13-H3C(O)CH3
  603948.1029  0.0056 -3.5190 3  615.6583936  59516140458 553 2    57 552 2      C-13-H3C(O)CH3
  603969.7316  0.0041 -3.5486 3  296.4698260  5951614043226 6 3    3125 6 3      C-13-H3C(O)CH3
  603972.2718  0.0038 -5.9529 3  615.6791936 -59516140458 653 0    57 552 0      C-13-H3C(O)CH3
  603972.2718  0.0038 -3.5192 3  615.6791936 -59516140458 553 0    57 552 0      C-13-H3C(O)CH3
  603972.3790  0.0038 -5.9529 3  615.6791936  59516140458 553 0    57 652 0      C-13-H3C(O)CH3
  603972.3790  0.0038 -3.5192 3  615.6791936  59516140458 653 0    57 652 0      C-13-H3C(O)CH3
  603995.2554  0.0468 -5.2532 3  709.2760412  595161404513121 3    503218 3      C-13-H3C(O)CH3
  603997.8603  0.0147 -5.5852 3  142.6580376  5951614042318 5 2    2215 8 2      C-13-H3C(O)CH3
  604002.4134  0.0034 -3.2476 3  296.5101520 -5951614043226 7 2    3125 7 2      C-13-H3C(O)CH3
  604017.0195  0.0688 -5.7349 3  999.8681952  595161404594317 1    584415 1      C-13-H3C(O)CH3
  604025.3050  0.0817 -6.0360 3  999.9307476  595161404594316 4    584414 4      C-13-H3C(O)CH3
  604035.3615  0.0033 -3.2474 3  296.4955520 -5951614043226 7 1    3125 7 1      C-13-H3C(O)CH3
  604057.8933  0.0572 -4.9605 3  709.2749824  595161404513121 2    503218 2      C-13-H3C(O)CH3
  604095.0514  0.0813 -6.0359 3  999.9171476  595161404594316 3    584414 3      C-13-H3C(O)CH3
  604096.7333  0.0685 -5.7351 3  999.8723952  595161404594317 2    584415 2      C-13-H3C(O)CH3
  604113.2431  0.0043 -3.5485 3  296.4599260  5951614043226 7 4    3125 7 4      C-13-H3C(O)CH3
  604139.0626  0.0633 -5.3686 3 1126.1559C56  59516140478 771 0    78 672 0      C-13-H3C(O)CH3
  604139.0626  0.0633 -5.3686 3 1126.1559C56  59516140478 871 0    78 772 0      C-13-H3C(O)CH3
  604188.3673  0.0326 -4.9581 3  709.2719824  595161404513121 1    503218 1      C-13-H3C(O)CH3
  604206.0436  0.1174 -6.3190 3 1126.1234C56  59516140478 871 1    78 772 1      C-13-H3C(O)CH3
  604206.0436  0.1174 -5.4194 3 1126.1234C56  59516140478 871 1    78 672 1      C-13-H3C(O)CH3
  604206.0436  0.1174 -6.3190 3 1126.1234C56  59516140478 771 1    78 672 1      C-13-H3C(O)CH3
  604206.0436  0.1174 -5.4194 3 1126.1234C56  59516140478 771 1    78 772 1      C-13-H3C(O)CH3
  604206.2353  0.1152 -5.3844 3 1126.1233C56  59516140478 871 2    78 772 2      C-13-H3C(O)CH3
  604206.2353  0.1152 -5.3844 3 1126.1233C56  59516140478 771 2    78 672 2      C-13-H3C(O)CH3
  604217.3394  0.0342 -5.2272 3  302.8258268  595161404332410 3    3223 9 3      C-13-H3C(O)CH3
  604251.0737  0.0806 -6.0360 3  999.9102476  595161404594317 3    584415 3      C-13-H3C(O)CH3
  604258.1335  0.0200 -4.7880 3  302.8465536  595161404332410 1    3223 9 1      C-13-H3C(O)CH3
  604273.0058  0.0718 -6.0597 3 1126.0908628  59516140478 771 4    78 772 4      C-13-H3C(O)CH3
  604273.0058  0.0718 -6.0597 3 1126.0908628  59516140478 871 4    78 672 4      C-13-H3C(O)CH3
  604273.0058  0.0718 -5.8952 3 1126.0908628  59516140478 871 4    78 772 4      C-13-H3C(O)CH3
  604273.0058  0.0718 -5.8952 3 1126.0908628  59516140478 771 4    78 672 4      C-13-H3C(O)CH3
  604273.2337  0.0718 -5.8051 3 1126.0909628  59516140478 771 3    78 772 3      C-13-H3C(O)CH3
  604273.2337  0.0718 -6.2381 3 1126.0909628  59516140478 871 3    78 772 3      C-13-H3C(O)CH3
  604273.2337  0.0718 -5.8051 3 1126.0909628  59516140478 871 3    78 672 3      C-13-H3C(O)CH3
  604273.2337  0.0718 -6.2381 3 1126.0909628  59516140478 771 3    78 672 3      C-13-H3C(O)CH3
  604322.3737  0.0854 -6.0360 3  999.8965476  595161404594317 4    584415 4      C-13-H3C(O)CH3
  604332.5445  0.0353 -4.7682 3  302.8258268  595161404332410 4    3223 9 4      C-13-H3C(O)CH3
  604410.9971  0.0274 -4.9550 3  709.2660824  595161404513121 0    503218 0      C-13-H3C(O)CH3
  604440.8787  0.0044 -3.7122 3  302.8258268  5951614043324 9 4    3223 9 4      C-13-H3C(O)CH3
  604480.3587  0.0039 -3.3917 3  302.8465536 -5951614043324 9 1    3223 9 1      C-13-H3C(O)CH3
  604486.5621  0.0229 -6.1350 3  142.6427188  5951614042318 5 4    2215 8 4      C-13-H3C(O)CH3
  604507.0606  0.0150 -3.5685 3  302.8522536  595161404332410 2    3223 9 2      C-13-H3C(O)CH3
  604532.3751  0.0034 -3.3742 3  302.8727536 -595161404332410 0    3223 9 0      C-13-H3C(O)CH3
  604547.4060  0.1020 -6.2971 3  908.2060936  595161404583226 1    582929 1      C-13-H3C(O)CH3
  604551.8710  0.1399 -6.2973 3  908.2067936  595161404583226 2    582929 2      C-13-H3C(O)CH3
  604557.9246  0.0046 -3.6882 3  302.8258268  5951614043324 9 3    3223 9 3      C-13-H3C(O)CH3
  604595.7518  0.0146 -3.8168 3  302.8493536 -595161404332410 2    322310 2      C-13-H3C(O)CH3
  604617.0428  0.0044 -3.6877 3  302.8125268  595161404332410 3    322310 3      C-13-H3C(O)CH3
  604632.0854  0.0152 -3.8172 3  302.8522536 -5951614043324 9 2    3223 9 2      C-13-H3C(O)CH3
  604657.0515  0.0033 -3.3740 3  302.8697536 -5951614043324 9 0    322310 0      C-13-H3C(O)CH3
  604657.0515  0.0034 -3.3915 3  302.8332536 -595161404332410 1    322310 1      C-13-H3C(O)CH3
  604668.3557  0.0664 -5.6875 3 1079.1239620  59516140477 771 4    77 572 4      C-13-H3C(O)CH3
  604668.3557  0.0664 -5.6875 3 1079.1239620  59516140477 671 4    77 672 4      C-13-H3C(O)CH3
  604668.8078  0.0663 -5.6554 3 1079.1239620  59516140477 671 3    77 572 3      C-13-H3C(O)CH3
  604668.8078  0.0663 -5.6554 3 1079.1239620  59516140477 771 3    77 672 3      C-13-H3C(O)CH3
  604677.8951  0.1004 -6.2975 3  908.1991936  595161404583226 0    582929 0      C-13-H3C(O)CH3
  604685.4904  0.1324 -5.4538 3 1079.1560C40  59516140477 671 1    77 672 1      C-13-H3C(O)CH3
  604685.4904  0.1324 -5.9529 3 1079.1560C40  59516140477 771 1    77 672 1      C-13-H3C(O)CH3
  604685.4904  0.1324 -5.4538 3 1079.1560C40  59516140477 771 1    77 572 1      C-13-H3C(O)CH3
  604685.4904  0.1324 -5.9529 3 1079.1560C40  59516140477 671 1    77 572 1      C-13-H3C(O)CH3
  604686.8303  0.1312 -5.3459 3 1079.1558C40  59516140477 771 2    77 572 2      C-13-H3C(O)CH3
  604686.8303  0.1312 -5.3459 3 1079.1558C40  59516140477 671 2    77 672 2      C-13-H3C(O)CH3
  604703.4699  0.0684 -5.9873 3 1079.1878C40  59516140477 671 0    77 572 0      C-13-H3C(O)CH3
  604703.4699  0.0684 -5.9873 3 1079.1878C40  59516140477 771 0    77 672 0      C-13-H3C(O)CH3
  604703.4699  0.0684 -5.4436 3 1079.1878C40  59516140477 671 0    77 672 0      C-13-H3C(O)CH3
  604703.4699  0.0684 -5.4436 3 1079.1878C40  59516140477 771 0    77 572 0      C-13-H3C(O)CH3
  604706.5657  0.0061 -4.5359 3  155.3712212  595161404261016 4    25 917 4      C-13-H3C(O)CH3
  604706.7242  0.0046 -4.5359 3  155.3711212  595161404261016 3    25 917 3      C-13-H3C(O)CH3
  604706.8389  0.0061 -4.5359 3  155.3712212  595161404261116 4    25 817 4      C-13-H3C(O)CH3
  604706.9993  0.0046 -4.5359 3  155.3711212  595161404261116 3    25 817 3      C-13-H3C(O)CH3
  604720.7771  0.0156 -3.5685 3  302.8493536  5951614043324 9 2    322310 2      C-13-H3C(O)CH3
  604734.5637  0.0037 -3.7122 3  302.8124268  595161404332410 4    322310 4      C-13-H3C(O)CH3
  604778.0922  0.0043 -3.6184 3  576.0626824 -595161404511338 0    501437 0      C-13-H3C(O)CH3
  604778.0922  0.0043 -3.6501 3  576.0626824 -595161404511438 0    501337 0      C-13-H3C(O)CH3
  604778.0922  0.0043 -4.5863 3  576.0626824 -595161404511438 0    501437 0      C-13-H3C(O)CH3
  604778.0922  0.0043 -5.0462 3  576.0626824 -595161404511338 0    501337 0      C-13-H3C(O)CH3
  604790.8286  0.0076 -4.1030 3  576.0348824  595161404511338 1    501337 1      C-13-H3C(O)CH3
  604790.8286  0.0076 -4.1030 3  576.0348824  595161404511438 1    501437 1      C-13-H3C(O)CH3
  604790.8286  0.0076 -3.7673 3  576.0348824  595161404511438 1    501337 1      C-13-H3C(O)CH3
  604790.8286  0.0076 -3.7673 3  576.0348824  595161404511338 1    501437 1      C-13-H3C(O)CH3
  604792.3091  0.0076 -3.7643 3  576.0342824  595161404511438 2    501437 2      C-13-H3C(O)CH3
  604792.3091  0.0076 -4.1096 3  576.0342824  595161404511338 2    501437 2      C-13-H3C(O)CH3
  604792.3091  0.0076 -3.7643 3  576.0342824  595161404511338 2    501337 2      C-13-H3C(O)CH3
  604792.3091  0.0076 -4.1096 3  576.0342824  595161404511438 2    501337 2      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.5382 3  576.0063412 -595161404511438 4    501337 4      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.1452 3  576.0064412 -595161404511338 3    501337 3      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.5382 3  576.0063412 -595161404511338 4    501437 4      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.0180 3  576.0063412 -595161404511438 4    501437 4      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.0180 3  576.0063412 -595161404511338 4    501337 4      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.2731 3  576.0064412 -595161404511438 3    501337 3      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.1452 3  576.0064412 -595161404511438 3    501437 3      C-13-H3C(O)CH3
  604805.0788  0.0065 -4.2731 3  576.0064412 -595161404511338 3    501437 3      C-13-H3C(O)CH3
  604824.0039  0.0926 -5.5776 3  846.5244444  595161404553719 4    543817 4      C-13-H3C(O)CH3
  604842.8979  0.0342 -4.7676 3  302.8124268  5951614043324 9 4    322310 4      C-13-H3C(O)CH3
  604844.4898  0.1211 -5.2180 3  744.6581840  595161404523320 2    513417 2      C-13-H3C(O)CH3
  604878.9590  0.0192 -4.7873 3  302.8332536  5951614043324 9 1    322310 1      C-13-H3C(O)CH3
  604957.6281  0.0343 -5.2265 3  302.8125268  5951614043324 9 3    322310 3      C-13-H3C(O)CH3
  604959.2581  0.0044 -4.2343 3  155.3638424  595161404261016 2    25 917 2      C-13-H3C(O)CH3
  604959.5411  0.0044 -4.2343 3  155.3638424  595161404261116 2    25 817 2      C-13-H3C(O)CH3
  604980.1807  0.0044 -4.2344 3  155.3653424  595161404261016 1    25 917 1      C-13-H3C(O)CH3
  604980.4497  0.0044 -4.2344 3  155.3653424  595161404261116 1    25 817 1      C-13-H3C(O)CH3
  604982.8886  0.0880 -5.2792 3  846.5005888  595161404553719 2    543817 2      C-13-H3C(O)CH3
  604991.3159  0.1745 -6.3800 3  846.5453444  595161404553719 3    543816 3      C-13-H3C(O)CH3
  605029.2699  0.0612 -5.8145 3 1032.7416612  59516140476 571 4    76 572 4      C-13-H3C(O)CH3
  605029.2699  0.0612 -6.0495 3 1032.7416612  59516140476 671 4    76 572 4      C-13-H3C(O)CH3
  605029.2699  0.0612 -5.8145 3 1032.7416612  59516140476 671 4    76 472 4      C-13-H3C(O)CH3
  605029.2699  0.0612 -6.0495 3 1032.7416612  59516140476 571 4    76 472 4      C-13-H3C(O)CH3
  605029.9364  0.0612 -5.6313 3 1032.7416612  59516140476 571 3    76 472 3      C-13-H3C(O)CH3
  605029.9364  0.0612 -5.6313 3 1032.7416612  59516140476 671 3    76 572 3      C-13-H3C(O)CH3
  605045.1343  0.0821 -4.7626 3  549.9007364  595161404452718 3    442817 3      C-13-H3C(O)CH3
  605057.3271  0.0036 -3.8816 3  620.6433476  59516140459 455 4    58 554 4      C-13-H3C(O)CH3
  605057.3271  0.0036 -4.6229 3  620.6433476  59516140459 555 4    58 554 4      C-13-H3C(O)CH3
  605057.3541  0.0036 -4.2938 3  620.6433476 -59516140459 455 3    58 454 3      C-13-H3C(O)CH3
  605057.3541  0.0036 -4.6229 3  620.6433476 -59516140459 455 4    58 454 4      C-13-H3C(O)CH3
  605057.3541  0.0036 -3.8816 3  620.6433476 -59516140459 555 4    58 454 4      C-13-H3C(O)CH3
  605057.3541  0.0036 -3.9815 3  620.6433476 -59516140459 555 3    58 454 3      C-13-H3C(O)CH3
  605057.3631  0.0036 -4.2938 3  620.6433476  59516140459 555 3    58 554 3      C-13-H3C(O)CH3
  605057.3631  0.0036 -3.9815 3  620.6433476  59516140459 455 3    58 554 3      C-13-H3C(O)CH3
  605073.0857  0.0100 -5.9846 3  106.2871344  5951614042112 9 2    20 912 2      C-13-H3C(O)CH3
  605079.3856  0.0103 -6.2894 3  106.3080172  5951614042112 9 3    20 912 3      C-13-H3C(O)CH3
  605082.6279  0.0796 -5.6504 3  846.5423444  595161404553719 3    543817 3      C-13-H3C(O)CH3
  605084.7787  0.0051 -4.1854 3  620.6570952  59516140459 455 1    58 554 1      C-13-H3C(O)CH3
  605084.7787  0.0051 -3.6106 3  620.6570952  59516140459 555 1    58 554 1      C-13-H3C(O)CH3
  605084.9475  0.0049 -3.7406 3  620.6566952 -59516140459 455 2    58 454 2      C-13-H3C(O)CH3
  605084.9475  0.0051 -3.6106 3  620.6570952 -59516140459 455 1    58 454 1      C-13-H3C(O)CH3
  605084.9475  0.0049 -3.8906 3  620.6566952 -59516140459 555 2    58 454 2      C-13-H3C(O)CH3
  605084.9475  0.0051 -4.1854 3  620.6570952 -59516140459 555 1    58 454 1      C-13-H3C(O)CH3
  605084.9739  0.0049 -3.8906 3  620.6566952  59516140459 455 2    58 554 2      C-13-H3C(O)CH3
  605084.9739  0.0049 -3.7406 3  620.6566952  59516140459 555 2    58 554 2      C-13-H3C(O)CH3
  605107.6415  0.0149 -6.2895 3  106.3080172  5951614042112 9 4    20 912 4      C-13-H3C(O)CH3
  605112.3315  0.0037 -3.5133 3  620.6703952 -59516140459 555 0    58 454 0      C-13-H3C(O)CH3
  605112.3315  0.0037 -5.4405 3  620.6703952 -59516140459 455 0    58 454 0      C-13-H3C(O)CH3
  605112.3535  0.0037 -3.5133 3  620.6703952  59516140459 455 0    58 554 0      C-13-H3C(O)CH3
  605112.3535  0.0037 -5.4405 3  620.6703952  59516140459 555 0    58 554 0      C-13-H3C(O)CH3
  605113.5088  0.0928 -5.3352 3  744.6620420  595161404523320 3    513417 3      C-13-H3C(O)CH3
  605142.4745  0.0842 -5.2812 3  846.4917888  595161404553719 1    543817 1      C-13-H3C(O)CH3
  605164.1898  0.1331 -5.3163 3 1032.7688C24  59516140476 571 1    76 472 1      C-13-H3C(O)CH3
  605164.1898  0.1331 -5.3163 3 1032.7688C24  59516140476 671 1    76 572 1      C-13-H3C(O)CH3
  605166.5988  0.1327 -5.4611 3 1032.7686C24  59516140476 671 2    76 572 2      C-13-H3C(O)CH3
  605166.5988  0.1327 -5.8559 3 1032.7686C24  59516140476 671 2    76 472 2      C-13-H3C(O)CH3
  605166.5988  0.1327 -5.8559 3 1032.7686C24  59516140476 571 2    76 572 2      C-13-H3C(O)CH3
  605166.5988  0.1327 -5.4611 3 1032.7686C24  59516140476 571 2    76 472 2      C-13-H3C(O)CH3
  605177.0206  0.0762 -5.1740 3  744.6456840  595161404523320 1    513417 1      C-13-H3C(O)CH3
  605183.5779  0.0759 -4.7680 3  549.8965364  595161404452718 4    442817 4      C-13-H3C(O)CH3
  605220.0402  0.0841 -5.2754 3  846.4680888  595161404553719 0    543816 0      C-13-H3C(O)CH3
  605232.1968  0.0045 -4.2338 3  155.3579424  595161404261016 0    25 917 0      C-13-H3C(O)CH3
  605232.4741  0.0045 -4.2338 3  155.3579424  595161404261116 0    25 817 0      C-13-H3C(O)CH3
  605260.3322  0.0640 -5.6504 3  846.5453444  595161404553718 3    543816 3      C-13-H3C(O)CH3
  605300.7181  0.0692 -5.3158 3 1032.7958C24  59516140476 571 0    76 572 0      C-13-H3C(O)CH3
  605300.7181  0.0692 -5.3158 3 1032.7958C24  59516140476 671 0    76 472 0      C-13-H3C(O)CH3
  605306.9917  0.0098 -5.9823 3  106.2682344  5951614042112 9 0    20 912 0      C-13-H3C(O)CH3
  605324.9605  0.0099 -5.9863 3  106.2891344  5951614042112 9 1    20 912 1      C-13-H3C(O)CH3
  605351.6442  0.1477 -6.3792 3  846.5423444  595161404553718 3    543817 3      C-13-H3C(O)CH3
  605351.9493  0.0578 -5.6156 3  986.9455604  59516140475 471 4    75 472 4      C-13-H3C(O)CH3
  605351.9493  0.0578 -5.6156 3  986.9455604  59516140475 571 4    75 372 4      C-13-H3C(O)CH3
  605352.7287  0.0577 -5.6298 3  986.9454604  59516140475 571 3    75 472 3      C-13-H3C(O)CH3
  605352.7287  0.0577 -5.6298 3  986.9454604  59516140475 471 3    75 372 3      C-13-H3C(O)CH3
  605396.7097  0.0708 -5.2790 3  846.5214888  595161404553718 2    543816 2      C-13-H3C(O)CH3
  605403.6700  0.0109 -6.2656 3  375.1264632  595161404391623 2    391326 2      C-13-H3C(O)CH3
  605403.6805  0.0109 -6.2656 3  375.1264632  595161404391723 2    391426 2      C-13-H3C(O)CH3
  605416.6028  0.0846 -5.2751 3  846.4678888  595161404553718 0    543817 0      C-13-H3C(O)CH3
  605420.6811  0.0093 -6.2647 3  375.1548632  595161404391623 0    391326 0      C-13-H3C(O)CH3
  605420.6906  0.0093 -6.2647 3  375.1548632  595161404391723 0    391426 0      C-13-H3C(O)CH3
  605425.9701  0.0108 -6.2635 3  375.1278632  595161404391623 1    391326 1      C-13-H3C(O)CH3
  605425.9802  0.0108 -6.2635 3  375.1278632  595161404391723 1    391426 1      C-13-H3C(O)CH3
  605456.3663  0.0872 -5.2809 3  846.5096888  595161404553718 1    543816 1      C-13-H3C(O)CH3
  605487.9750  0.0792 -4.4620 3  549.9088728  595161404452718 2    442817 2      C-13-H3C(O)CH3
  605520.7530  0.0672 -5.5771 3  846.5632444  595161404553718 4    543816 4      C-13-H3C(O)CH3
  605632.3220  0.0619 -5.6634 3  941.7373596  59516140474 371 4    74 272 4      C-13-H3C(O)CH3
  605632.3220  0.0619 -5.6634 3  941.7373596  59516140474 471 4    74 372 4      C-13-H3C(O)CH3
  605632.9469  0.0616 -5.6739 3  941.7373596  59516140474 371 3    74 372 3      C-13-H3C(O)CH3
  605632.9469  0.0616 -5.6739 3  941.7373596  59516140474 471 3    74 272 3      C-13-H3C(O)CH3
  605644.7451  0.1159 -5.4616 3  986.9623C08  59516140475 471 1    75 472 1      C-13-H3C(O)CH3
  605644.7451  0.1159 -5.8118 3  986.9623C08  59516140475 471 1    75 372 1      C-13-H3C(O)CH3
  605644.7451  0.1159 -5.8502 3  986.9623C08  59516140475 571 1    75 472 1      C-13-H3C(O)CH3
  605644.7451  0.1159 -5.4783 3  986.9623C08  59516140475 571 1    75 372 1      C-13-H3C(O)CH3
  605647.6714  0.1151 -5.3231 3  986.9620C08  59516140475 571 2    75 472 2      C-13-H3C(O)CH3
  605647.6714  0.1151 -5.3231 3  986.9620C08  59516140475 471 2    75 372 2      C-13-H3C(O)CH3
  605781.4739  0.0507 -4.9991 3  744.6162840  595161404523320 0    513417 0      C-13-H3C(O)CH3
  605815.3369  0.0043 -5.2096 3  585.4439840 -595161404521240 0    511339 0      C-13-H3C(O)CH3
  605815.3369  0.0043 -5.2096 3  585.4439840 -595161404521340 0    511239 0      C-13-H3C(O)CH3
  605815.3369  0.0043 -3.6049 3  585.4439840 -595161404521340 0    511339 0      C-13-H3C(O)CH3
  605815.3369  0.0043 -3.6049 3  585.4439840 -595161404521240 0    511239 0      C-13-H3C(O)CH3
  605824.4027  0.0080 -4.3845 3  585.4152840 -595161404521340 1    511239 1      C-13-H3C(O)CH3
  605824.4027  0.0080 -3.8493 3  585.4152840 -595161404521240 1    511339 1      C-13-H3C(O)CH3
  605824.4027  0.0080 -3.6709 3  585.4152840 -595161404521340 1    511339 1      C-13-H3C(O)CH3
  605824.4027  0.0080 -3.9464 3  585.4152840 -595161404521240 1    511239 1      C-13-H3C(O)CH3
  605825.7718  0.0080 -3.6825 3  585.4147840 -595161404521340 2    511239 2      C-13-H3C(O)CH3
  605825.7718  0.0080 -4.3289 3  585.4147840 -595161404521340 2    511339 2      C-13-H3C(O)CH3
  605825.7718  0.0080 -4.3289 3  585.4147840 -595161404521240 2    511239 2      C-13-H3C(O)CH3
  605825.7718  0.0080 -3.6825 3  585.4147840 -595161404521240 2    511339 2      C-13-H3C(O)CH3
  605834.8984  0.0064 -4.2770 3  585.3859420  595161404521240 4    511339 4      C-13-H3C(O)CH3
  605834.8984  0.0064 -4.1280 3  585.3859420  595161404521340 4    511339 4      C-13-H3C(O)CH3
  605834.8984  0.0064 -4.2770 3  585.3859420  595161404521340 4    511239 4      C-13-H3C(O)CH3
  605834.8984  0.0064 -4.1280 3  585.3859420  595161404521240 4    511239 4      C-13-H3C(O)CH3
  605834.9222  0.0064 -4.4436 3  585.3860420  595161404521240 3    511339 3      C-13-H3C(O)CH3
  605834.9222  0.0064 -4.0395 3  585.3860420  595161404521340 3    511339 3      C-13-H3C(O)CH3
  605834.9222  0.0064 -4.0395 3  585.3860420  595161404521240 3    511239 3      C-13-H3C(O)CH3
  605834.9222  0.0064 -4.4436 3  585.3860420  595161404521340 3    511239 3      C-13-H3C(O)CH3
  605866.0391  0.0816 -5.7474 3  897.1189588  59516140473 371 3    73 272 3      C-13-H3C(O)CH3
  605866.0391  0.0816 -5.7474 3  897.1189588  59516140473 271 3    73 172 3      C-13-H3C(O)CH3
  605866.1139  0.0821 -6.1049 3  897.1189588  59516140473 271 4    73 172 4      C-13-H3C(O)CH3
  605866.1139  0.0821 -5.9560 3  897.1189588  59516140473 371 4    73 172 4      C-13-H3C(O)CH3
  605866.1139  0.0821 -6.1049 3  897.1189588  59516140473 371 4    73 272 4      C-13-H3C(O)CH3
  605866.1139  0.0821 -5.9560 3  897.1189588  59516140473 271 4    73 272 4      C-13-H3C(O)CH3
  605922.4831  0.0394 -4.4592 3  549.9084728  595161404452718 1    442817 1      C-13-H3C(O)CH3
  605939.3860  0.0632 -5.3339 3  986.9789C08  59516140475 471 0    75 472 0      C-13-H3C(O)CH3
  605939.3860  0.0632 -5.3271 3  986.9789C08  59516140475 571 0    75 372 0      C-13-H3C(O)CH3
  606047.1894  0.1230 -5.9482 3  853.0923580  59516140472 171 3    72 172 3      C-13-H3C(O)CH3
  606047.1894  0.1230 -5.9482 3  853.0923580  59516140472 271 3    72 072 3      C-13-H3C(O)CH3
  606048.9500  0.1230 -6.1697 3  853.0923580  59516140472 171 4    72 172 4      C-13-H3C(O)CH3
  606048.9500  0.1230 -6.1697 3  853.0923580  59516140472 271 4    72 072 4      C-13-H3C(O)CH3
  606048.9500  0.1230 -6.3022 3  853.0923580  59516140472 271 4    72 172 4      C-13-H3C(O)CH3
  606048.9500  0.1230 -6.3022 3  853.0923580  59516140472 171 4    72 072 4      C-13-H3C(O)CH3
  606056.9522  0.3197 -6.2961 3 1769.0223E64  595161404911972 1    911973 1      C-13-H3C(O)CH3
  606056.9522  0.3197 -6.2961 3 1769.0223E64  595161404912072 1    911873 1      C-13-H3C(O)CH3
  606070.6990  0.3093 -6.3412 3 1769.0242E64  595161404911972 2    911873 2      C-13-H3C(O)CH3
  606070.6990  0.3093 -6.3412 3 1769.0242E64  595161404912072 2    911973 2      C-13-H3C(O)CH3
  606105.7366  0.4055 -6.3205 3 1105.5066A32  595161404643629 0    633726 0      C-13-H3C(O)CH3
  606130.0214  0.0913 -5.8660 3  941.7368B92  59516140474 471 1    74 372 1      C-13-H3C(O)CH3
  606130.0214  0.0913 -5.5279 3  941.7368B92  59516140474 471 1    74 272 1      C-13-H3C(O)CH3
  606130.0214  0.0913 -5.4944 3  941.7368B92  59516140474 371 1    74 372 1      C-13-H3C(O)CH3
  606130.0214  0.0913 -5.7962 3  941.7368B92  59516140474 371 1    74 272 1      C-13-H3C(O)CH3
  606132.2820  0.0880 -5.6318 3  941.7364B92  59516140474 471 2    74 272 2      C-13-H3C(O)CH3
  606132.2820  0.0880 -5.6318 3  941.7364B92  59516140474 371 2    74 372 2      C-13-H3C(O)CH3
  606132.2820  0.0880 -5.6514 3  941.7364B92  59516140474 371 2    74 272 2      C-13-H3C(O)CH3
  606132.2820  0.0880 -5.6514 3  941.7364B92  59516140474 471 2    74 372 2      C-13-H3C(O)CH3
  606200.5521  0.0034 -4.1649 3  625.1145484  59516140460 357 4    59 456 4      C-13-H3C(O)CH3
  606200.5521  0.0034 -4.0441 3  625.1145484  59516140460 457 4    59 456 4      C-13-H3C(O)CH3
  606200.5690  0.0034 -3.8015 3  625.1144484  59516140460 457 3    59 356 3      C-13-H3C(O)CH3
  606200.5690  0.0034 -6.0871 3  625.1144484  59516140460 357 3    59 356 3      C-13-H3C(O)CH3
  606200.5946  0.0034 -4.0441 3  625.1145484 -59516140460 357 4    59 356 4      C-13-H3C(O)CH3
  606200.5946  0.0034 -4.1649 3  625.1145484 -59516140460 457 4    59 356 4      C-13-H3C(O)CH3
  606200.5946  0.0034 -6.0871 3  625.1144484 -59516140460 457 3    59 456 3      C-13-H3C(O)CH3
  606200.5946  0.0034 -3.8015 3  625.1144484 -59516140460 357 3    59 456 3      C-13-H3C(O)CH3
  606219.5700  0.1141 -6.2955 3  908.2068936  595161404583326 2    583029 2      C-13-H3C(O)CH3
  606221.7382  0.0962 -6.2953 3  908.2061936  595161404583326 1    583029 1      C-13-H3C(O)CH3
  606229.0251  0.0051 -4.9913 3  625.1174968  59516140460 357 1    59 456 1      C-13-H3C(O)CH3
  606229.0251  0.0051 -3.5124 3  625.1174968  59516140460 457 1    59 456 1      C-13-H3C(O)CH3
  606229.0983  0.0050 -3.8921 3  625.1171968 -59516140460 357 2    59 356 2      C-13-H3C(O)CH3
  606229.0983  0.0051 -3.5124 3  625.1174968 -59516140460 357 1    59 356 1      C-13-H3C(O)CH3
  606229.0983  0.0051 -4.9913 3  625.1174968 -59516140460 457 1    59 356 1      C-13-H3C(O)CH3
  606229.0983  0.0050 -3.7228 3  625.1171968 -59516140460 457 2    59 356 2      C-13-H3C(O)CH3
  606229.1030  0.0050 -3.7228 3  625.1171968  59516140460 357 2    59 456 2      C-13-H3C(O)CH3
  606229.1030  0.0050 -3.8921 3  625.1171968  59516140460 457 2    59 456 2      C-13-H3C(O)CH3
  606257.5112  0.0038 -4.0380 3  625.1201968 -59516140460 357 0    59 456 0      C-13-H3C(O)CH3
  606257.5112  0.0038 -4.0380 3  625.1201968 -59516140460 457 0    59 356 0      C-13-H3C(O)CH3
  606257.5124  0.0038 -3.6461 3  625.1201968  59516140460 457 0    59 456 0      C-13-H3C(O)CH3
  606257.5124  0.0038 -3.6461 3  625.1201968  59516140460 357 0    59 356 0      C-13-H3C(O)CH3
  606275.0099  0.0927 -6.2957 3  908.1992936  595161404583326 0    583029 0      C-13-H3C(O)CH3
  606301.4923  0.0450 -4.4569 3  549.9185728  595161404452718 0    442817 0      C-13-H3C(O)CH3
  606352.7628  0.0598 -5.4009 3  744.6078840  595161404523320 2    513418 2      C-13-H3C(O)CH3
  606395.8058  0.0542 -5.4784 3  744.6050840  595161404523320 1    513418 1      C-13-H3C(O)CH3
  606481.7041  0.0387 -6.1742 3  749.4831856  595161404532825 0    532528 0      C-13-H3C(O)CH3
  606492.1598  0.0671 -5.5677 3  744.6090420  595161404523320 4    513418 4      C-13-H3C(O)CH3
  606494.5500  0.0583 -6.1740 3  749.4790856  595161404532825 2    532528 2      C-13-H3C(O)CH3
  606508.8667  0.0415 -6.1735 3  749.4795856  595161404532825 1    532528 1      C-13-H3C(O)CH3
  606549.7885  0.0160 -6.1208 3  576.3011760  595161404472324 0    472027 0      C-13-H3C(O)CH3
  606555.9394  0.0160 -6.1208 3  576.3011760  595161404472424 0    472127 0      C-13-H3C(O)CH3
  606622.7523  0.1148 -5.8332 3  897.0920B76  59516140473 271 2    73 272 2      C-13-H3C(O)CH3
  606622.7523  0.1148 -5.6329 3  897.0920B76  59516140473 271 2    73 172 2      C-13-H3C(O)CH3
  606622.7523  0.1148 -5.8332 3  897.0920B76  59516140473 371 2    73 172 2      C-13-H3C(O)CH3
  606622.7523  0.1148 -5.6329 3  897.0920B76  59516140473 371 2    73 272 2      C-13-H3C(O)CH3
  606623.1461  0.1190 -6.2109 3  897.0924B76  59516140473 271 1    73 272 1      C-13-H3C(O)CH3
  606623.1461  0.1190 -5.4975 3  897.0924B76  59516140473 271 1    73 172 1      C-13-H3C(O)CH3
  606623.1461  0.1190 -6.2109 3  897.0924B76  59516140473 371 1    73 172 1      C-13-H3C(O)CH3
  606623.1461  0.1190 -5.4975 3  897.0924B76  59516140473 371 1    73 272 1      C-13-H3C(O)CH3
  606628.7176  0.0595 -5.3705 3  941.7359B92  59516140474 371 0    74 372 0      C-13-H3C(O)CH3
  606628.7176  0.0595 -5.3705 3  941.7359B92  59516140474 471 0    74 272 0      C-13-H3C(O)CH3
  606641.4905  0.0228 -6.1208 3  576.2807760  595161404472324 2    472027 2      C-13-H3C(O)CH3
  606648.1346  0.0227 -6.1208 3  576.2807760  595161404472424 2    472127 2      C-13-H3C(O)CH3
  606659.8140  0.2812 -6.2623 3 1714.5270E48  595161404901872 0    901773 0      C-13-H3C(O)CH3
  606659.8140  0.2812 -6.3172 3 1714.5270E48  595161404901972 0    901873 0      C-13-H3C(O)CH3
  606662.2356  0.0173 -6.1197 3  576.2821760  595161404472324 1    472027 1      C-13-H3C(O)CH3
  606668.4989  0.0679 -5.9766 3 1082.2787984  595161404614616 0    604713 0      C-13-H3C(O)CH3
  606668.4995  0.0679 -5.9766 3 1082.2787984  595161404614615 0    604714 0      C-13-H3C(O)CH3
  606668.7428  0.0174 -6.1197 3  576.2821760  595161404472424 1    472127 1      C-13-H3C(O)CH3
  606669.5430  0.0383 -6.1740 3  749.4831856  595161404532925 0    532628 0      C-13-H3C(O)CH3
  606671.0497  0.3334 -6.2176 3 1714.5489E48  595161404901972 1    901873 1      C-13-H3C(O)CH3
  606671.0497  0.3334 -6.2176 3 1714.5489E48  595161404901872 1    901773 1      C-13-H3C(O)CH3
  606683.8758  0.3249 -6.2564 3 1714.5502E48  595161404901872 2    901773 2      C-13-H3C(O)CH3
  606683.8758  0.3249 -6.2564 3 1714.5502E48  595161404901972 2    901873 2      C-13-H3C(O)CH3
  606693.7254  0.0560 -6.1738 3  749.4790856  595161404532925 2    532628 2      C-13-H3C(O)CH3
  606707.0449  0.0416 -6.1733 3  749.4795856  595161404532925 1    532628 1      C-13-H3C(O)CH3
  606786.3453  0.5392 -6.3160 3 1105.4971A32  595161404643629 2    633726 2      C-13-H3C(O)CH3
  606815.7317  0.0775 -5.9767 3 1082.2897984  595161404614616 1    604714 1      C-13-H3C(O)CH3
  606873.8230  0.0853 -5.9767 3 1082.3231984  595161404614615 2    604713 2      C-13-H3C(O)CH3
  606876.0455  0.0044 -3.6195 3  594.2750856 -595161404531142 0    521241 0      C-13-H3C(O)CH3
  606876.0455  0.0044 -3.6195 3  594.2750856 -595161404531242 0    521141 0      C-13-H3C(O)CH3
  606876.0455  0.0044 -4.7181 3  594.2750856 -595161404531242 0    521241 0      C-13-H3C(O)CH3
  606876.0455  0.0044 -4.7181 3  594.2750856 -595161404531142 0    521141 0      C-13-H3C(O)CH3
  606881.2020  0.0084 -3.8457 3  594.2455856  595161404531242 1    521141 1      C-13-H3C(O)CH3
  606881.2020  0.0084 -3.9332 3  594.2455856  595161404531142 1    521141 1      C-13-H3C(O)CH3
  606881.2020  0.0084 -3.8457 3  594.2455856  595161404531142 1    521241 1      C-13-H3C(O)CH3
  606881.2020  0.0084 -3.9332 3  594.2455856  595161404531242 1    521241 1      C-13-H3C(O)CH3
  606881.3546  0.0762 -5.9767 3 1082.3139984  595161404614615 1    604713 1      C-13-H3C(O)CH3
  606882.1845  0.0084 -3.5981 3  594.2450856  595161404531142 2    521241 2      C-13-H3C(O)CH3
  606882.1845  0.0084 -5.1526 3  594.2450856  595161404531142 2    521141 2      C-13-H3C(O)CH3
  606882.1845  0.0084 -5.1526 3  594.2450856  595161404531242 2    521241 2      C-13-H3C(O)CH3
  606882.1845  0.0084 -3.5981 3  594.2450856  595161404531242 2    521141 2      C-13-H3C(O)CH3
  606887.3524  0.0061 -3.9233 3  594.2154428  595161404531242 4    521141 4      C-13-H3C(O)CH3
  606887.3524  0.0061 -5.5485 3  594.2154428  595161404531242 4    521241 4      C-13-H3C(O)CH3
  606887.3524  0.0061 -4.9844 3  594.2154428  595161404531142 4    521141 4      C-13-H3C(O)CH3
  606887.3524  0.0061 -3.8967 3  594.2154428  595161404531142 4    521241 4      C-13-H3C(O)CH3
  606887.3841  0.0061 -3.9465 3  594.2155428  595161404531142 3    521241 3      C-13-H3C(O)CH3
  606887.3841  0.0061 -4.7808 3  594.2155428  595161404531242 3    521241 3      C-13-H3C(O)CH3
  606887.3841  0.0061 -3.9465 3  594.2155428  595161404531242 3    521141 3      C-13-H3C(O)CH3
  606887.3841  0.0061 -4.7808 3  594.2155428  595161404531142 3    521141 3      C-13-H3C(O)CH3
  606928.0808  0.3761 -6.3150 3 1105.4897A32  595161404643629 1    633726 1      C-13-H3C(O)CH3
  606948.1473  0.0744 -5.9768 3 1082.2892984  595161404614616 2    604714 2      C-13-H3C(O)CH3
  607012.3795  0.0333 -5.3833 3  734.7998420  595161404523122 4    513219 4      C-13-H3C(O)CH3
  607021.4735  0.1052 -6.2778 3 1082.3341492  595161404614615 3    604713 3      C-13-H3C(O)CH3
  607087.3506  0.1104 -6.2778 3 1082.3583492  595161404614615 4    604713 4      C-13-H3C(O)CH3
  607089.7434  0.0241 -5.0833 3  734.8013840  595161404523122 1    513219 1      C-13-H3C(O)CH3
  607090.1482  0.0243 -5.0824 3  734.7996840  595161404523122 2    513219 2      C-13-H3C(O)CH3
  607094.4307  0.0212 -5.0857 3  734.8034840  595161404523122 0    513219 0      C-13-H3C(O)CH3
  607096.9998  0.0979 -6.2779 3 1082.3001492  595161404614616 4    604714 4      C-13-H3C(O)CH3
  607121.4755  0.2357 -5.7165 3  853.0289B60  59516140472 171 2    72 172 2      C-13-H3C(O)CH3
  607121.4755  0.2357 -6.3553 3  853.0289B60  59516140472 171 2    72 072 2      C-13-H3C(O)CH3
  607121.4755  0.2357 -5.7165 3  853.0289B60  59516140472 271 2    72 072 2      C-13-H3C(O)CH3
  607121.4755  0.2357 -6.3553 3  853.0289B60  59516140472 271 2    72 172 2      C-13-H3C(O)CH3
  607127.5065  0.2361 -5.7054 3  853.0291B60  59516140472 271 1    72 172 1      C-13-H3C(O)CH3
  607127.5065  0.2361 -5.7054 3  853.0291B60  59516140472 171 1    72 072 1      C-13-H3C(O)CH3
  607146.1384  0.0225 -5.3790 3  734.7958420  595161404523122 3    513219 3      C-13-H3C(O)CH3
  607161.9932  0.0970 -6.2779 3 1082.3244492  595161404614616 3    604714 3      C-13-H3C(O)CH3
  607232.0310  0.2778 -6.1096 3 1660.6266E32  595161404891772 0    891773 0      C-13-H3C(O)CH3
  607232.0310  0.2778 -6.1096 3 1660.6266E32  595161404891872 0    891673 0      C-13-H3C(O)CH3
  607269.1600  0.3371 -6.1241 3 1660.6468E32  595161404891872 1    891673 1      C-13-H3C(O)CH3
  607269.1600  0.3371 -6.1538 3 1660.6468E32  595161404891772 1    891773 1      C-13-H3C(O)CH3
  607280.5037  0.3309 -6.2252 3 1660.6476E32  595161404891872 2    891673 2      C-13-H3C(O)CH3
  607280.5037  0.3309 -6.2252 3 1660.6476E32  595161404891772 2    891773 2      C-13-H3C(O)CH3
  607353.7363  0.0036 -4.5276 3  629.0527492  59516140461 259 3    60 258 3      C-13-H3C(O)CH3
  607353.7363  0.0036 -3.8764 3  629.0527492  59516140461 359 3    60 258 3      C-13-H3C(O)CH3
  607353.7406  0.0036 -5.1955 3  629.0528492  59516140461 259 4    60 258 4      C-13-H3C(O)CH3
  607353.7406  0.0036 -3.8063 3  629.0528492  59516140461 359 4    60 258 4      C-13-H3C(O)CH3
  607353.7963  0.0036 -4.5276 3  629.0527492 -59516140461 359 3    60 358 3      C-13-H3C(O)CH3
  607353.7963  0.0036 -5.1955 3  629.0528492 -59516140461 359 4    60 358 4      C-13-H3C(O)CH3
  607353.7963  0.0036 -3.8764 3  629.0527492 -59516140461 259 3    60 358 3      C-13-H3C(O)CH3
  607353.7963  0.0036 -3.8063 3  629.0528492 -59516140461 259 4    60 358 4      C-13-H3C(O)CH3
  607378.5454  0.0889 -5.4469 3  897.0655B76  59516140473 371 0    73 172 0      C-13-H3C(O)CH3
  607378.5454  0.0889 -5.4469 3  897.0655B76  59516140473 271 0    73 272 0      C-13-H3C(O)CH3
  607379.8534  0.0055 -3.4997 3  629.0404984 -59516140461 259 1    60 258 1      C-13-H3C(O)CH3
  607379.8534  0.0055 -6.1329 3  629.0400984 -59516140461 359 2    60 258 2      C-13-H3C(O)CH3
  607379.8534  0.0055 -6.1329 3  629.0400984 -59516140461 259 2    60 358 2      C-13-H3C(O)CH3
  607379.8534  0.0055 -5.0559 3  629.0404984 -59516140461 359 1    60 258 1      C-13-H3C(O)CH3
  607379.8534  0.0055 -3.4997 3  629.0404984 -59516140461 359 1    60 358 1      C-13-H3C(O)CH3
  607379.8534  0.0055 -5.0559 3  629.0404984 -59516140461 259 1    60 358 1      C-13-H3C(O)CH3
  607379.8686  0.0055 -3.4888 3  629.0400984  59516140461 359 2    60 358 2      C-13-H3C(O)CH3
  607379.8686  0.0055 -3.4888 3  629.0400984  59516140461 259 2    60 258 2      C-13-H3C(O)CH3
  607405.9287  0.0040 -3.5475 3  629.0277984 -59516140461 259 0    60 258 0      C-13-H3C(O)CH3
  607405.9287  0.0040 -4.3792 3  629.0277984 -59516140461 359 0    60 258 0      C-13-H3C(O)CH3
  607405.9633  0.0040 -3.5738 3  629.0277984  59516140461 359 0    60 358 0      C-13-H3C(O)CH3
  607405.9633  0.0040 -4.2331 3  629.0277984  59516140461 259 0    60 358 0      C-13-H3C(O)CH3
  607407.6345  0.0147 -6.0602 3  124.7618172  5951614042119 3 3    2016 4 3      C-13-H3C(O)CH3
  607468.2545  0.0175 -6.0647 3  124.8225172  5951614042119 2 4    2016 4 4      C-13-H3C(O)CH3
  607544.1081  0.0839 -5.4598 3  819.3411888  595161404553224 0    543321 0      C-13-H3C(O)CH3
  607582.7081  0.0077 -4.7917 3  130.2224204  59516140425 718 4    24 619 4      C-13-H3C(O)CH3
  607582.7082  0.0077 -4.7917 3  130.2224204  59516140425 818 4    24 519 4      C-13-H3C(O)CH3
  607582.7910  0.0060 -4.7917 3  130.2224204  59516140425 718 3    24 619 3      C-13-H3C(O)CH3
  607582.7911  0.0060 -4.7917 3  130.2224204  59516140425 818 3    24 519 3      C-13-H3C(O)CH3
  607656.7624  0.0152 -6.0560 3  124.6935172  5951614042119 3 4    2016 5 4      C-13-H3C(O)CH3
  607715.1264  0.0153 -6.0614 3  124.7541172  5951614042119 2 3    2016 5 3      C-13-H3C(O)CH3
  607787.0308  0.2677 -6.0397 3 1607.2996E16  595161404881672 0    881573 0      C-13-H3C(O)CH3
  607787.0308  0.2677 -6.0397 3 1607.2996E16  595161404881772 0    881673 0      C-13-H3C(O)CH3
  607851.8161  0.3296 -6.2210 3 1607.3170E16  595161404881672 1    881573 1      C-13-H3C(O)CH3
  607851.8161  0.3296 -6.2210 3 1607.3170E16  595161404881772 1    881673 1      C-13-H3C(O)CH3
  607861.2606  0.3259 -6.0612 3 1607.3174E16  595161404881672 2    881673 2      C-13-H3C(O)CH3
  607861.2606  0.3259 -6.0448 3 1607.3174E16  595161404881772 2    881573 2      C-13-H3C(O)CH3
  607926.3410  0.1803 -6.3402 3 1607.3349708  595161404881772 4    881673 4      C-13-H3C(O)CH3
  607926.3410  0.1803 -6.3402 3 1607.3349708  595161404881672 4    881573 4      C-13-H3C(O)CH3
  607955.4381  0.0045 -3.9792 3  602.5586872  595161404541044 0    531143 0      C-13-H3C(O)CH3
  607955.4381  0.0045 -3.9792 3  602.5586872  595161404541144 0    531043 0      C-13-H3C(O)CH3
  607955.4381  0.0045 -3.7984 3  602.5586872  595161404541144 0    531143 0      C-13-H3C(O)CH3
  607955.4381  0.0045 -3.7984 3  602.5586872  595161404541044 0    531043 0      C-13-H3C(O)CH3
  607956.1792  0.0088 -4.0828 3  602.5285872  595161404541144 1    531143 1      C-13-H3C(O)CH3
  607956.1792  0.0088 -3.7180 3  602.5285872  595161404541144 1    531043 1      C-13-H3C(O)CH3
  607956.1792  0.0088 -4.1394 3  602.5285872  595161404541044 1    531043 1      C-13-H3C(O)CH3
  607956.1792  0.0088 -3.7415 3  602.5285872  595161404541044 1    531143 1      C-13-H3C(O)CH3
  607956.9958  0.0087 -4.8125 3  602.5281872  595161404541044 2    531043 2      C-13-H3C(O)CH3
  607956.9958  0.0087 -4.4158 3  602.5281872  595161404541144 2    531143 2      C-13-H3C(O)CH3
  607956.9958  0.0087 -3.6467 3  602.5281872  595161404541144 2    531043 2      C-13-H3C(O)CH3
  607956.9958  0.0087 -3.6045 3  602.5281872  595161404541044 2    531143 2      C-13-H3C(O)CH3
  607957.7101  0.0059 -4.8766 3  602.4979436  595161404541144 4    531143 4      C-13-H3C(O)CH3
  607957.7101  0.0059 -3.8809 3  602.4979436  595161404541144 4    531043 4      C-13-H3C(O)CH3
  607957.7101  0.0059 -6.3485 3  602.4979436  595161404541044 4    531043 4      C-13-H3C(O)CH3
  607957.7101  0.0059 -3.9254 3  602.4979436  595161404541044 4    531143 4      C-13-H3C(O)CH3
  607957.7496  0.0059 -3.9713 3  602.4980436  595161404541144 3    531043 3      C-13-H3C(O)CH3
  607957.7496  0.0059 -4.5991 3  602.4980436  595161404541044 3    531043 3      C-13-H3C(O)CH3
  607957.7496  0.0059 -4.3847 3  602.4980436  595161404541044 3    531143 3      C-13-H3C(O)CH3
  607957.7496  0.0059 -4.0420 3  602.4980436  595161404541144 3    531143 3      C-13-H3C(O)CH3
  607965.3872  0.0060 -4.4899 3  130.1982408  59516140425 818 2    24 519 2      C-13-H3C(O)CH3
  607965.3872  0.0060 -4.4899 3  130.1982408  59516140425 718 2    24 619 2      C-13-H3C(O)CH3
  607976.6713  0.0061 -4.4900 3  130.1990408  59516140425 718 1    24 619 1      C-13-H3C(O)CH3
  607976.6714  0.0061 -4.4900 3  130.1990408  59516140425 818 1    24 519 1      C-13-H3C(O)CH3
  607983.9374  0.0118 -4.1714 3  469.7586340  595161404422319 3    412418 3      C-13-H3C(O)CH3
  607984.9745  0.0792 -5.4536 3  819.3275888  595161404553224 1    543321 1      C-13-H3C(O)CH3
  607989.7481  0.0121 -4.1714 3  469.7585340  595161404422319 4    412418 4      C-13-H3C(O)CH3
  608021.0241  0.0126 -3.8701 3  469.7787680  595161404422319 2    412418 2      C-13-H3C(O)CH3
  608048.1181  0.0104 -6.3173 3  351.6923616  595161404381523 2    381226 2      C-13-H3C(O)CH3
  608048.1210  0.0104 -6.3173 3  351.6923616  595161404381623 2    381326 2      C-13-H3C(O)CH3
  608068.0545  0.0077 -3.8695 3  469.7839680  595161404422319 1    412418 1      C-13-H3C(O)CH3
  608069.6812  0.0105 -6.3152 3  351.6937616  595161404381523 1    381226 1      C-13-H3C(O)CH3
  608069.6840  0.0105 -6.3152 3  351.6937616  595161404381623 1    381326 1      C-13-H3C(O)CH3
  608090.8330  0.1229 -5.4522 3  819.3233888  595161404553224 2    543321 2      C-13-H3C(O)CH3
  608097.7145  0.0140 -5.7628 3  124.7993344  5951614042119 2 1    2016 4 1      C-13-H3C(O)CH3
  608102.5050  0.0086 -3.8692 3  469.8039680  595161404422319 0    412418 0      C-13-H3C(O)CH3
  608104.0515  0.0089 -6.3162 3  351.7192616  595161404381523 0    381226 0      C-13-H3C(O)CH3
  608104.0541  0.0089 -6.3162 3  351.7192616  595161404381623 0    381326 0      C-13-H3C(O)CH3
  608141.7236  0.0106 -3.8397 3  315.0707276  595161404342312 3    332211 3      C-13-H3C(O)CH3
  608168.1992  0.0047 -3.5079 3  315.0906552  595161404342312 1    332211 1      C-13-H3C(O)CH3
  608198.7799  0.0072 -6.2134 3   94.2872328  5951614042012 9 2    19 712 2      C-13-H3C(O)CH3
  608199.1802  0.1662 -5.8919 3  852.9659B60  59516140472 271 0    72 072 0      C-13-H3C(O)CH3
  608199.1802  0.1662 -5.9625 3  852.9659B60  59516140472 171 0    72 072 0      C-13-H3C(O)CH3
  608199.1802  0.1662 -5.8919 3  852.9659B60  59516140472 171 0    72 172 0      C-13-H3C(O)CH3
  608199.1802  0.1662 -5.9625 3  852.9659B60  59516140472 271 0    72 172 0      C-13-H3C(O)CH3
  608211.8714  0.0044 -3.8079 3  315.0696276  595161404342312 4    332211 4      C-13-H3C(O)CH3
  608244.8300  0.0037 -3.5031 3  315.1129552 -595161404342312 0    332211 0      C-13-H3C(O)CH3
  608244.9181  0.0070 -6.2137 3   94.2888328  5951614042012 9 1    19 712 1      C-13-H3C(O)CH3
  608253.0792  0.0062 -3.5191 3  315.0927552  595161404342312 2    332211 2      C-13-H3C(O)CH3
  608312.4787  0.0141 -5.7605 3  124.7443344  5951614042119 3 2    2016 5 2      C-13-H3C(O)CH3
  608326.5783  0.2508 -5.9806 3 1554.5469E00  595161404871572 0    871473 0      C-13-H3C(O)CH3
  608326.5783  0.2508 -5.9806 3 1554.5469E00  595161404871672 0    871573 0      C-13-H3C(O)CH3
  608340.9722  0.0141 -5.7591 3  124.7311344  5951614042119 3 1    2016 5 1      C-13-H3C(O)CH3
  608358.4526  0.0058 -4.4891 3  130.1749408  59516140425 718 0    24 619 0      C-13-H3C(O)CH3
  608358.4527  0.0058 -4.4891 3  130.1749408  59516140425 818 0    24 519 0      C-13-H3C(O)CH3
  608376.2140  0.0130 -5.7654 3  124.8049344  5951614042119 2 2    2016 4 2      C-13-H3C(O)CH3
  608385.1433  0.0059 -3.4334 3  297.5714252  5951614043129 3 4    3028 3 4      C-13-H3C(O)CH3
  608419.6267  0.3105 -5.9429 3 1554.5604E00  595161404871672 1    871473 1      C-13-H3C(O)CH3
  608419.6267  0.3105 -5.9429 3 1554.5604E00  595161404871572 1    871573 1      C-13-H3C(O)CH3
  608426.9219  0.3092 -5.9394 3 1554.5605E00  595161404871672 2    871573 2      C-13-H3C(O)CH3
  608426.9219  0.3092 -5.9394 3 1554.5605E00  595161404871572 2    871473 2      C-13-H3C(O)CH3
  608432.4432  0.0045 -3.1324 3  297.6407504 -5951614043129 3 2    3028 2 2      C-13-H3C(O)CH3
  608472.1396  0.0047 -3.1323 3  297.6239504 -5951614043129 3 1    3028 3 1      C-13-H3C(O)CH3
  608500.4991  0.1162 -5.7473 3  819.3107444  595161404553224 4    543321 4      C-13-H3C(O)CH3
  608517.9661  0.0044 -4.2396 3  632.4601500  59516140462 261 3    61 160 3      C-13-H3C(O)CH3
  608517.9661  0.0044 -3.9621 3  632.4601500  59516140462 161 3    61 160 3      C-13-H3C(O)CH3
  608517.9815  0.0044 -5.1918 3  632.4601500  59516140462 261 4    61 260 4      C-13-H3C(O)CH3
  608517.9815  0.0044 -3.7951 3  632.4601500  59516140462 161 4    61 260 4      C-13-H3C(O)CH3
  608518.0730  0.0044 -3.7951 3  632.4601500 -59516140462 261 4    61 160 4      C-13-H3C(O)CH3
  608518.0730  0.0044 -3.9621 3  632.4601500 -59516140462 261 3    61 260 3      C-13-H3C(O)CH3
  608518.0730  0.0044 -5.1918 3  632.4601500 -59516140462 161 4    61 160 4      C-13-H3C(O)CH3
  608518.0730  0.0044 -4.2396 3  632.4601500 -59516140462 161 3    61 260 3      C-13-H3C(O)CH3
  608520.1260  0.1701 -6.3239 3 1554.5740700  595161404871572 3    871473 3      C-13-H3C(O)CH3
  608520.1260  0.1701 -6.3239 3 1554.5740700  595161404871672 3    871573 3      C-13-H3C(O)CH3
  608520.1996  0.0045 -3.1323 3  297.6932504 -5951614043129 3 0    3028 2 0      C-13-H3C(O)CH3
  608520.1996  0.0045 -3.1323 3  297.6932504 -5951614043129 2 0    3028 3 0      C-13-H3C(O)CH3
  608536.5902  0.0062 -3.5552 3  632.4261A00 -59516140462 161 1    61 160 1      C-13-H3C(O)CH3
  608536.5902  0.0062 -4.2597 3  632.4261A00 -59516140462 261 1    61 160 1      C-13-H3C(O)CH3
  608536.5902  0.0059 -3.6445 3  632.4257A00 -59516140462 161 2    61 160 2      C-13-H3C(O)CH3
  608536.5902  0.0059 -3.9715 3  632.4257A00 -59516140462 261 2    61 160 2      C-13-H3C(O)CH3
  608536.6140  0.0059 -3.9715 3  632.4257A00  59516140462 161 2    61 260 2      C-13-H3C(O)CH3
  608536.6140  0.0059 -3.6445 3  632.4257A00  59516140462 261 2    61 260 2      C-13-H3C(O)CH3
  608536.6406  0.0062 -3.5552 3  632.4261A00  59516140462 261 1    61 260 1      C-13-H3C(O)CH3
  608536.6406  0.0062 -4.2597 3  632.4261A00  59516140462 161 1    61 260 1      C-13-H3C(O)CH3
  608545.2988  0.1243 -5.7467 3  819.3093444  595161404553224 3    543321 3      C-13-H3C(O)CH3
  608555.1846  0.0045 -3.8060 3  632.3917A00 -59516140462 161 0    61 260 0      C-13-H3C(O)CH3
  608555.1846  0.0045 -3.7514 3  632.3917A00 -59516140462 161 0    61 160 0      C-13-H3C(O)CH3
  608555.1846  0.0045 -3.8060 3  632.3917A00 -59516140462 261 0    61 160 0      C-13-H3C(O)CH3
  608555.1846  0.0045 -3.7514 3  632.3917A00 -59516140462 261 0    61 260 0      C-13-H3C(O)CH3
  608579.0903  0.0072 -6.2111 3   94.2622328  5951614042012 9 0    19 712 0      C-13-H3C(O)CH3
  608596.1715  0.0058 -3.4331 3  297.5665252  5951614043129 3 3    3028 3 3      C-13-H3C(O)CH3
  608598.6393  0.0108 -6.0498 3  162.9316204  5951614042517 9 4    241411 4      C-13-H3C(O)CH3
  608634.4873  0.0057 -3.4330 3  297.5868252  5951614043129 2 3    3028 2 3      C-13-H3C(O)CH3
  608643.9137  0.0045 -3.1320 3  297.6357504 -5951614043129 2 2    3028 3 2      C-13-H3C(O)CH3
  608699.2510  0.0473 -4.4660 3  498.5717348  595161404432518 3    422617 3      C-13-H3C(O)CH3
  608721.8075  0.0046 -3.1319 3  297.6393504 -5951614043129 2 1    3028 2 1      C-13-H3C(O)CH3
  608737.3367  0.0468 -4.4663 3  498.5707348  595161404432518 4    422617 4      C-13-H3C(O)CH3
  608771.0215  0.0072 -4.0009 3  216.3887472  595161404291613 2    281514 2      C-13-H3C(O)CH3
  608819.6372  0.0094 -4.3018 3  216.3782236  595161404291613 3    281514 3      C-13-H3C(O)CH3
  608828.8446  0.0093 -4.3018 3  216.3782236  595161404291613 4    281514 4      C-13-H3C(O)CH3
  608845.0881  0.0062 -3.4327 3  297.5819252  5951614043129 2 4    3028 2 4      C-13-H3C(O)CH3
  608852.8651  0.2275 -5.9190 3 1502.3693D84  595161404861472 0    861473 0      C-13-H3C(O)CH3
  608852.8651  0.2275 -5.9190 3 1502.3693D84  595161404861572 0    861373 0      C-13-H3C(O)CH3
  608866.9344  0.0042 -3.7082 3  514.4398728  595161404452025 0    442124 0      C-13-H3C(O)CH3
  608867.2412  0.0042 -3.7082 3  514.4398728  595161404452125 0    442024 0      C-13-H3C(O)CH3
  608874.9708  0.0095 -5.2772 3  104.4084196  59516140424 520 3    23 321 3      C-13-H3C(O)CH3
  608874.9708  0.0095 -5.2772 3  104.4084196  59516140424 420 3    23 221 3      C-13-H3C(O)CH3
  608875.2640  0.0113 -5.3342 3  104.4084196  59516140424 420 4    23 321 4      C-13-H3C(O)CH3
  608875.2640  0.0113 -6.0812 3  104.4084196  59516140424 420 4    23 221 4      C-13-H3C(O)CH3
  608875.2640  0.0113 -5.3442 3  104.4084196  59516140424 520 4    23 221 4      C-13-H3C(O)CH3
  608875.2640  0.0113 -6.0295 3  104.4084196  59516140424 520 4    23 321 4      C-13-H3C(O)CH3
  608892.5643  0.0054 -3.7082 3  514.4179728  595161404452025 1    442124 1      C-13-H3C(O)CH3
  608892.8917  0.0054 -3.7082 3  514.4179728  595161404452125 1    442024 1      C-13-H3C(O)CH3
  608894.9092  0.0063 -4.0009 3  216.4039472  595161404291613 0    281514 0      C-13-H3C(O)CH3
  608901.4566  0.0057 -3.7082 3  514.4158728  595161404452025 2    442124 2      C-13-H3C(O)CH3
  608901.7947  0.0057 -3.7082 3  514.4158728  595161404452125 2    442024 2      C-13-H3C(O)CH3
  608924.3933  0.0477 -4.1639 3  498.5872696  595161404432518 2    422617 2      C-13-H3C(O)CH3
  608927.1169  0.0063 -4.0093 3  514.3939364  595161404452025 3    442124 3      C-13-H3C(O)CH3
  608927.1246  0.0063 -4.0092 3  514.3939364  595161404452025 4    442124 4      C-13-H3C(O)CH3
  608927.4779  0.0063 -4.0093 3  514.3939364  595161404452125 3    442024 3      C-13-H3C(O)CH3
  608927.4835  0.0063 -4.0092 3  514.3939364  595161404452125 4    442024 4      C-13-H3C(O)CH3
  608945.6326  0.0075 -4.0008 3  216.3933472  595161404291613 1    281514 1      C-13-H3C(O)CH3
  608973.2938  0.2808 -5.8604 3 1502.3778D84  595161404861572 1    861473 1      C-13-H3C(O)CH3
  608973.2938  0.2808 -5.8604 3 1502.3778D84  595161404861472 1    861373 1      C-13-H3C(O)CH3
  608975.4429  0.0041 -3.7373 3  500.3120712  595161404442123 0    432222 0      C-13-H3C(O)CH3
  608978.3700  0.2814 -5.8563 3 1502.3777D84  595161404861572 2    861473 2      C-13-H3C(O)CH3
  608978.3700  0.2814 -5.8563 3 1502.3777D84  595161404861472 2    861373 2      C-13-H3C(O)CH3
  608990.6424  0.0041 -3.7372 3  500.3116712 -595161404442223 0    432122 0      C-13-H3C(O)CH3
  608996.1573  0.0149 -5.7645 3  124.7819344  5951614042119 3 0    2016 4 0      C-13-H3C(O)CH3
  608999.1159  0.0051 -3.7373 3  500.2905712  595161404442123 1    432222 1      C-13-H3C(O)CH3
  609005.6743  0.0653 -4.6137 3  523.9177356  595161404442618 3    432717 3      C-13-H3C(O)CH3
  609009.7526  0.0149 -5.7645 3  124.7814344  5951614042119 2 0    2016 5 0      C-13-H3C(O)CH3
  609012.2576  0.0055 -3.7373 3  500.2876712  595161404442123 2    432222 2      C-13-H3C(O)CH3
  609014.9540  0.0051 -3.7372 3  500.2901712  595161404442223 1    432122 1      C-13-H3C(O)CH3
  609028.5618  0.0055 -3.7373 3  500.2871712  595161404442223 2    432122 2      C-13-H3C(O)CH3
  609035.9204  0.0060 -4.0383 3  500.2660356  595161404442123 3    432222 3      C-13-H3C(O)CH3
  609035.9318  0.0060 -4.0383 3  500.2660356  595161404442123 4    432222 4      C-13-H3C(O)CH3
  609042.7078  0.0056 -5.7076 3  610.2360444 -59516140455 946 3    54 945 3      C-13-H3C(O)CH3
  609042.7078  0.0056 -3.8780 3  610.2360444 -59516140455 946 3    541045 3      C-13-H3C(O)CH3
  609042.7078  0.0056 -4.6495 3  610.2360444 -59516140455 946 4    54 945 4      C-13-H3C(O)CH3
  609042.7078  0.0056 -3.9509 3  610.2360444 -59516140455 946 4    541045 4      C-13-H3C(O)CH3
  609042.7078  0.0056 -4.6495 3  610.2360444 -595161404551046 4    541045 4      C-13-H3C(O)CH3
  609042.7078  0.0056 -3.8780 3  610.2360444 -595161404551046 3    54 945 3      C-13-H3C(O)CH3
  609042.7078  0.0056 -5.7076 3  610.2360444 -595161404551046 3    541045 3      C-13-H3C(O)CH3
  609042.7078  0.0056 -3.9509 3  610.2360444 -595161404551046 4    54 945 4      C-13-H3C(O)CH3
  609046.1094  0.0089 -3.7151 3  610.2667888  59516140455 946 1    541045 1      C-13-H3C(O)CH3
  609046.1094  0.0089 -3.7151 3  610.2667888  595161404551046 1    54 945 1      C-13-H3C(O)CH3
  609046.1094  0.0089 -4.1189 3  610.2667888  595161404551046 1    541045 1      C-13-H3C(O)CH3
  609046.1094  0.0089 -4.1189 3  610.2667888  59516140455 946 1    54 945 1      C-13-H3C(O)CH3
  609046.7968  0.0088 -4.6978 3  610.2664888  595161404551046 2    541045 2      C-13-H3C(O)CH3
  609046.7968  0.0088 -3.6043 3  610.2664888  595161404551046 2    54 945 2      C-13-H3C(O)CH3
  609046.7968  0.0088 -3.6043 3  610.2664888  59516140455 946 2    541045 2      C-13-H3C(O)CH3
  609046.7968  0.0088 -4.6978 3  610.2664888  59516140455 946 2    54 945 2      C-13-H3C(O)CH3
  609050.2605  0.0045 -3.8714 3  610.2970888 -595161404551046 0    541045 0      C-13-H3C(O)CH3
  609050.2605  0.0045 -3.8721 3  610.2970888 -595161404551046 0    54 945 0      C-13-H3C(O)CH3
  609050.2605  0.0045 -3.8714 3  610.2970888 -59516140455 946 0    54 945 0      C-13-H3C(O)CH3
  609050.2605  0.0045 -3.8721 3  610.2970888 -59516140455 946 0    541045 0      C-13-H3C(O)CH3
  609052.8137  0.0059 -4.0383 3  500.2655356  595161404442223 4    432122 4      C-13-H3C(O)CH3
  609052.8596  0.0059 -4.0383 3  500.2656356  595161404442223 3    432122 3      C-13-H3C(O)CH3
  609054.9922  0.0078 -6.1000 3  162.9347408  5951614042517 9 1    241411 1      C-13-H3C(O)CH3
  609076.4034  0.0632 -4.6151 3  523.9157356  595161404442618 4    432717 4      C-13-H3C(O)CH3
  609098.9725  0.1578 -6.1584 3 1502.3862692  595161404861472 3    861473 3      C-13-H3C(O)CH3
  609098.9725  0.1578 -6.1584 3 1502.3862692  595161404861572 3    861373 3      C-13-H3C(O)CH3
  609099.1969  0.1579 -6.1824 3 1502.3862692  595161404861572 4    861373 4      C-13-H3C(O)CH3
  609099.1969  0.1579 -6.1824 3 1502.3862692  595161404861472 4    861473 4      C-13-H3C(O)CH3
  609201.2918  0.0043 -3.6869 3  527.9047744  595161404461927 0    452026 0      C-13-H3C(O)CH3
  609201.2963  0.0043 -3.6869 3  527.9047744  595161404462027 0    451926 0      C-13-H3C(O)CH3
  609227.3913  0.0058 -3.6868 3  527.8825744  595161404461927 1    452026 1      C-13-H3C(O)CH3
  609227.3963  0.0058 -3.6868 3  527.8825744  595161404462027 1    451926 1      C-13-H3C(O)CH3
  609233.7031  0.0060 -3.6868 3  527.8808744  595161404461927 2    452026 2      C-13-H3C(O)CH3
  609233.7082  0.0060 -3.6868 3  527.8808744  595161404462027 2    451926 2      C-13-H3C(O)CH3
  609257.4791  0.0251 -4.1619 3  498.5898696  595161404432518 1    422617 1      C-13-H3C(O)CH3
  609259.8420  0.0066 -3.9878 3  527.8585372  595161404461927 3    452026 3      C-13-H3C(O)CH3
  609259.8477  0.0066 -3.9878 3  527.8585372  595161404462027 3    451926 3      C-13-H3C(O)CH3
  609259.8560  0.0066 -3.9878 3  527.8585372  595161404461927 4    452026 4      C-13-H3C(O)CH3
  609259.8617  0.0066 -3.9878 3  527.8585372  595161404462027 4    451926 4      C-13-H3C(O)CH3
  609339.5188  0.0649 -4.3118 3  523.9300712  595161404442618 2    432717 2      C-13-H3C(O)CH3
  609368.5655  0.1988 -5.7787 3 1450.7676D68  595161404851372 0    851273 0      C-13-H3C(O)CH3
  609368.5655  0.1988 -5.7787 3 1450.7676D68  595161404851472 0    851373 0      C-13-H3C(O)CH3
  609414.9053  0.0794 -5.5730 3  956.1935936  595161404584118 2    574215 2      C-13-H3C(O)CH3
  609417.0393  0.0114 -4.9791 3  104.3594392  59516140424 520 2    23 221 2      C-13-H3C(O)CH3
  609417.0393  0.0114 -6.3342 3  104.3594392  59516140424 520 2    23 321 2      C-13-H3C(O)CH3
  609417.0393  0.0114 -4.9744 3  104.3594392  59516140424 420 2    23 321 2      C-13-H3C(O)CH3
  609421.8085  0.0116 -4.9727 3  104.3599392  59516140424 520 1    23 221 1      C-13-H3C(O)CH3
  609421.8085  0.0116 -4.9727 3  104.3599392  59516140424 420 1    23 321 1      C-13-H3C(O)CH3
  609466.7801  0.0288 -4.1607 3  498.6057696  595161404432518 0    422617 0      C-13-H3C(O)CH3
  609471.8816  0.0787 -5.8740 3  956.2310468  595161404584118 4    574215 4      C-13-H3C(O)CH3
  609477.4161  0.0868 -5.5730 3  956.1453936  595161404584118 0    574215 0      C-13-H3C(O)CH3
  609479.1054  0.0868 -5.5730 3  956.1453936  595161404584117 0    574216 0      C-13-H3C(O)CH3
  609513.6321  0.2420 -5.7986 3 1450.7701D68  595161404851372 1    851373 1      C-13-H3C(O)CH3
  609513.6321  0.2420 -5.7986 3 1450.7701D68  595161404851472 1    851273 1      C-13-H3C(O)CH3
  609516.6036  0.2440 -5.8241 3 1450.7699D68  595161404851472 2    851373 2      C-13-H3C(O)CH3
  609516.6036  0.2440 -5.8241 3 1450.7699D68  595161404851372 2    851273 2      C-13-H3C(O)CH3
  609534.3888  0.0889 -5.5731 3  956.1827936  595161404584118 1    574215 1      C-13-H3C(O)CH3
  609564.8528  0.1913 -5.8669 3  775.7933428  595161404533420 4    523517 4      C-13-H3C(O)CH3
  609579.4711  0.0036 -5.5245 3  315.0906552  595161404342311 1    332211 1      C-13-H3C(O)CH3
  609633.3122  0.0058 -5.9003 3  315.0696276  595161404342311 4    332211 4      C-13-H3C(O)CH3
  609643.4268  0.0054 -4.9126 3  315.0707276  595161404342311 3    332211 3      C-13-H3C(O)CH3
  609657.0354  0.0735 -5.8740 3  956.2264468  595161404584118 3    574215 3      C-13-H3C(O)CH3
  609661.8539  0.1441 -6.1188 3 1450.7724684  595161404851472 3    851373 3      C-13-H3C(O)CH3
  609661.8539  0.1441 -6.1188 3 1450.7724684  595161404851372 3    851273 3      C-13-H3C(O)CH3
  609662.1011  0.1442 -6.1885 3 1450.7724684  595161404851372 4    851273 4      C-13-H3C(O)CH3
  609662.1011  0.1442 -6.1885 3 1450.7724684  595161404851472 4    851373 4      C-13-H3C(O)CH3
  609694.5451  0.0049 -4.9367 3  315.0927552  595161404342311 2    332211 2      C-13-H3C(O)CH3
  609694.8612  0.0071 -3.9770 3  635.3387508 -59516140463 163 3    62 162 3      C-13-H3C(O)CH3
  609694.8612  0.0071 -4.1822 3  635.3387508 -59516140463 063 3    62 162 3      C-13-H3C(O)CH3
  609694.8612  0.0071 -4.3995 3  635.3386508 -59516140463 063 4    62 062 4      C-13-H3C(O)CH3
  609694.8612  0.0071 -3.8817 3  635.3386508 -59516140463 163 4    62 062 4      C-13-H3C(O)CH3
  609694.9231  0.0071 -4.3995 3  635.3386508  59516140463 163 4    62 162 4      C-13-H3C(O)CH3
  609694.9231  0.0071 -3.8817 3  635.3386508  59516140463 063 4    62 162 4      C-13-H3C(O)CH3
  609694.9380  0.0071 -3.9770 3  635.3387508  59516140463 063 3    62 062 3      C-13-H3C(O)CH3
  609694.9380  0.0071 -4.1822 3  635.3387508  59516140463 163 3    62 062 3      C-13-H3C(O)CH3
  609698.4656  0.0116 -3.8250 3  635.2744A16 -59516140463 163 1    62 162 1      C-13-H3C(O)CH3
  609698.4656  0.0113 -3.8514 3  635.2741A16 -59516140463 063 2    62 162 2      C-13-H3C(O)CH3
  609698.4656  0.0116 -3.7148 3  635.2744A16 -59516140463 063 1    62 162 1      C-13-H3C(O)CH3
  609698.4656  0.0116 -3.8250 3  635.2744A16 -59516140463 063 1    62 062 1      C-13-H3C(O)CH3
  609698.4656  0.0116 -3.7148 3  635.2744A16 -59516140463 163 1    62 062 1      C-13-H3C(O)CH3
  609698.4656  0.0113 -3.6954 3  635.2741A16 -59516140463 163 2    62 162 2      C-13-H3C(O)CH3
  609698.4656  0.0113 -3.6954 3  635.2741A16 -59516140463 063 2    62 062 2      C-13-H3C(O)CH3
  609698.4656  0.0113 -3.8514 3  635.2741A16 -59516140463 163 2    62 062 2      C-13-H3C(O)CH3
  609701.9992  0.0083 -3.4850 3  635.2100A16  59516140463 163 0    62 162 0      C-13-H3C(O)CH3
  609701.9992  0.0083 -4.8166 3  635.2100A16  59516140463 063 0    62 162 0      C-13-H3C(O)CH3
  609702.0725  0.0083 -4.8166 3  635.2100A16 -59516140463 163 0    62 062 0      C-13-H3C(O)CH3
  609702.0725  0.0083 -3.4850 3  635.2100A16 -59516140463 063 0    62 062 0      C-13-H3C(O)CH3
  609720.7713  0.0804 -5.5730 3  956.1781936  595161404584117 1    574216 1      C-13-H3C(O)CH3
  609738.6618  0.0100 -5.7560 3  118.8644360  5951614042213 9 2    211012 2      C-13-H3C(O)CH3
  609742.2512  0.0739 -5.5730 3  956.1856936  595161404584117 2    574216 2      C-13-H3C(O)CH3
  609744.9698  0.0041 -3.7807 3  485.4539696  595161404432221 0    422320 0      C-13-H3C(O)CH3
  609746.5884  0.0325 -4.3095 3  523.9310712  595161404442618 1    432717 1      C-13-H3C(O)CH3
  609760.2872  0.0049 -3.7808 3  485.4328696  595161404432221 1    422320 1      C-13-H3C(O)CH3
  609776.5473  0.0057 -3.7809 3  485.4286696  595161404432221 2    422320 2      C-13-H3C(O)CH3
  609789.5582  0.0153 -5.4873 3  153.8719196  5951614042418 7 4    2315 9 4      C-13-H3C(O)CH3
  609791.5233  0.0059 -4.0820 3  485.4074348  595161404432221 3    422320 3      C-13-H3C(O)CH3
  609791.9606  0.0060 -4.0820 3  485.4074348  595161404432221 4    422320 4      C-13-H3C(O)CH3
  609792.4799  0.0044 -3.6702 3  540.7467760  595161404471829 0    461928 0      C-13-H3C(O)CH3
  609792.4799  0.0044 -3.6702 3  540.7467760  595161404471929 0    461828 0      C-13-H3C(O)CH3
  609798.4787  0.0722 -5.8741 3  956.2230468  595161404584117 3    574216 3      C-13-H3C(O)CH3
  609818.1510  0.0061 -3.6702 3  540.7238760  595161404471829 1    461928 1      C-13-H3C(O)CH3
  609818.1511  0.0061 -3.6702 3  540.7238760  595161404471929 1    461828 1      C-13-H3C(O)CH3
  609822.8120  0.0063 -3.6702 3  540.7226760  595161404471829 2    461928 2      C-13-H3C(O)CH3
  609822.8121  0.0063 -3.6702 3  540.7226760  595161404471929 2    461828 2      C-13-H3C(O)CH3
  609834.6184  0.0106 -6.0617 3  118.8800180  5951614042213 9 3    211012 3      C-13-H3C(O)CH3
  609848.5253  0.0068 -3.9712 3  540.6997380  595161404471829 3    461928 3      C-13-H3C(O)CH3
  609848.5253  0.0068 -3.9712 3  540.6997380  595161404471929 3    461828 3      C-13-H3C(O)CH3
  609848.5403  0.0068 -3.9712 3  540.6996380  595161404471829 4    461928 4      C-13-H3C(O)CH3
  609848.5404  0.0068 -3.9712 3  540.6996380  595161404471929 4    461828 4      C-13-H3C(O)CH3
  609855.8926  0.0155 -6.0619 3  118.8800180  5951614042213 9 4    211012 4      C-13-H3C(O)CH3
  609876.8936  0.1666 -5.7174 3 1399.7422D52  595161404841372 0    841173 0      C-13-H3C(O)CH3
  609876.8936  0.1666 -5.7174 3 1399.7422D52  595161404841272 0    841273 0      C-13-H3C(O)CH3
  609917.6607  0.0100 -5.7537 3  118.8513360  5951614042213 9 0    211012 0      C-13-H3C(O)CH3
  609962.6408  0.0108 -5.9673 3  104.3111392  59516140424 520 0    23 221 0      C-13-H3C(O)CH3
  609962.6408  0.0108 -5.0041 3  104.3111392  59516140424 520 0    23 321 0      C-13-H3C(O)CH3
  609962.6408  0.0108 -5.0041 3  104.3111392  59516140424 420 0    23 221 0      C-13-H3C(O)CH3
  609962.6408  0.0108 -5.9673 3  104.3111392  59516140424 420 0    23 321 0      C-13-H3C(O)CH3
  609985.6049  0.0794 -5.8739 3  956.2184468  595161404584117 4    574216 4      C-13-H3C(O)CH3
  610006.5748  0.0045 -3.5142 3  301.4380260  5951614043227 6 4    3126 5 4      C-13-H3C(O)CH3
  610020.9535  0.0100 -5.7586 3  118.8668360  5951614042213 9 1    211012 1      C-13-H3C(O)CH3
  610041.5893  0.1971 -5.7495 3 1399.7381D52  595161404841272 1    841173 1      C-13-H3C(O)CH3
  610041.5893  0.1971 -5.7495 3 1399.7381D52  595161404841372 1    841273 1      C-13-H3C(O)CH3
  610042.7457  0.1997 -5.9790 3 1399.7379D52  595161404841372 2    841273 2      C-13-H3C(O)CH3
  610042.7457  0.1997 -5.9790 3 1399.7379D52  595161404841272 2    841173 2      C-13-H3C(O)CH3
  610042.7457  0.1997 -6.0338 3 1399.7379D52  595161404841272 2    841273 2      C-13-H3C(O)CH3
  610042.7457  0.1997 -6.0338 3 1399.7379D52  595161404841372 2    841173 2      C-13-H3C(O)CH3
  610049.3993  0.0377 -4.3078 3  523.9443712  595161404442618 0    432717 0      C-13-H3C(O)CH3
  610075.3756  0.0037 -3.2130 3  301.4692520 -5951614043227 6 1    3126 5 1      C-13-H3C(O)CH3
  610089.6964  0.0037 -3.2130 3  301.4874520 -5951614043227 5 2    3126 5 2      C-13-H3C(O)CH3
  610140.0537  0.0053 -3.8993 3  617.4317452 -59516140456 948 3    55 847 3      C-13-H3C(O)CH3
  610140.0537  0.0053 -3.8993 3  617.4317452 -59516140456 848 3    55 947 3      C-13-H3C(O)CH3
  610140.0537  0.0053 -4.9693 3  617.4317452 -59516140456 848 3    55 847 3      C-13-H3C(O)CH3
  610140.0537  0.0053 -5.6545 3  617.4317452 -59516140456 948 4    55 947 4      C-13-H3C(O)CH3
  610140.0537  0.0053 -3.8638 3  617.4317452 -59516140456 948 4    55 847 4      C-13-H3C(O)CH3
  610140.0537  0.0053 -3.8709 3  617.4317452 -59516140456 848 4    55 947 4      C-13-H3C(O)CH3
  610140.0537  0.0053 -4.9693 3  617.4317452 -59516140456 948 3    55 947 3      C-13-H3C(O)CH3
  610148.8936  0.0086 -3.5728 3  617.4616904 -59516140456 848 2    55 947 2      C-13-H3C(O)CH3
  610148.8936  0.0088 -4.6231 3  617.4620904 -59516140456 848 1    55 947 1      C-13-H3C(O)CH3
  610148.8936  0.0088 -3.6024 3  617.4620904 -59516140456 948 1    55 947 1      C-13-H3C(O)CH3
  610148.8936  0.0086 -3.5728 3  617.4616904 -59516140456 948 2    55 847 2      C-13-H3C(O)CH3
  610148.8936  0.0088 -4.6231 3  617.4620904 -59516140456 948 1    55 847 1      C-13-H3C(O)CH3
  610148.8936  0.0088 -3.6024 3  617.4620904 -59516140456 848 1    55 847 1      C-13-H3C(O)CH3
  610148.8936  0.0086 -5.2083 3  617.4616904 -59516140456 848 2    55 847 2      C-13-H3C(O)CH3
  610148.8936  0.0086 -5.2083 3  617.4616904 -59516140456 948 2    55 947 2      C-13-H3C(O)CH3
  610157.6990  0.0046 -3.5974 3  617.4919904 -59516140456 848 0    55 847 0      C-13-H3C(O)CH3
  610157.6990  0.0046 -4.6802 3  617.4919904 -59516140456 848 0    55 947 0      C-13-H3C(O)CH3
  610157.6990  0.0046 -4.6802 3  617.4919904 -59516140456 948 0    55 847 0      C-13-H3C(O)CH3
  610157.6990  0.0046 -3.5974 3  617.4919904 -59516140456 948 0    55 947 0      C-13-H3C(O)CH3
  610158.9465  0.0034 -3.2128 3  301.5185520 -5951614043227 5 0    3126 6 0      C-13-H3C(O)CH3
  610158.9465  0.0034 -3.2128 3  301.5185520 -5951614043227 6 0    3126 5 0      C-13-H3C(O)CH3
  610163.1802  0.0044 -3.5140 3  301.4285260  5951614043227 6 3    3126 6 3      C-13-H3C(O)CH3
  610207.6247  0.1296 -6.1238 3 1399.7337676  595161404841272 3    841273 3      C-13-H3C(O)CH3
  610207.6247  0.1296 -6.1238 3 1399.7337676  595161404841372 3    841173 3      C-13-H3C(O)CH3
  610207.8817  0.1297 -6.0986 3 1399.7337676  595161404841372 4    841273 4      C-13-H3C(O)CH3
  610207.8817  0.1297 -6.0986 3 1399.7337676  595161404841272 4    841173 4      C-13-H3C(O)CH3
  610226.9399  0.0043 -3.5138 3  301.4358260  5951614043227 5 3    3126 5 3      C-13-H3C(O)CH3
  610245.8880  0.0036 -3.2128 3  301.4778520 -5951614043227 6 2    3126 6 2      C-13-H3C(O)CH3
  610264.4137  0.0041 -3.7798 3  485.4405696 -595161404432321 0    422220 0      C-13-H3C(O)CH3
  610268.1245  0.0057 -4.4233 3  175.5420220  595161404271215 4    261116 4      C-13-H3C(O)CH3
  610268.1393  0.0045 -4.4233 3  175.5420220  595161404271215 3    261116 3      C-13-H3C(O)CH3
  610269.3496  0.0056 -4.3366 3  219.6541236  595161404291812 4    281513 4      C-13-H3C(O)CH3
  610283.0802  0.0057 -4.4232 3  175.5420220  595161404271315 4    261016 4      C-13-H3C(O)CH3
  610283.1650  0.0045 -4.4232 3  175.5420220  595161404271315 3    261016 3      C-13-H3C(O)CH3
  610283.6666  0.0068 -4.3367 3  219.6538236  595161404291812 3    281513 3      C-13-H3C(O)CH3
  610290.4564  0.0050 -3.7799 3  485.4191696  595161404432321 1    422220 1      C-13-H3C(O)CH3
  610295.2563  0.0035 -3.2126 3  301.4669520 -5951614043227 5 1    3126 6 1      C-13-H3C(O)CH3
  610319.5895  0.0050 -3.7800 3  485.4146696  595161404432321 2    422220 2      C-13-H3C(O)CH3
  610334.6198  0.0067 -4.0356 3  219.6700472  595161404291812 1    281513 1      C-13-H3C(O)CH3
  610345.1587  0.0053 -4.0810 3  485.3931348  595161404432321 4    422220 4      C-13-H3C(O)CH3
  610345.8155  0.0055 -4.0810 3  485.3932348  595161404432321 3    422220 3      C-13-H3C(O)CH3
  610381.6600  0.1331 -5.6804 3 1349.2937D36  595161404831172 0    831173 0      C-13-H3C(O)CH3
  610381.6600  0.1331 -5.6804 3 1349.2937D36  595161404831272 0    831073 0      C-13-H3C(O)CH3
  610382.6006  0.0048 -3.5136 3  301.4262260  5951614043227 5 4    3126 6 4      C-13-H3C(O)CH3
  610444.7060  0.0043 -4.1219 3  175.5431440  595161404271215 2    261116 2      C-13-H3C(O)CH3
  610460.1146  0.0043 -4.1219 3  175.5431440  595161404271315 2    261016 2      C-13-H3C(O)CH3
  610462.1945  0.0065 -4.0368 3  219.6620472  595161404291812 2    281513 2      C-13-H3C(O)CH3
  610474.1976  0.0101 -6.3772 3  328.8412600  595161404371423 2    371126 2      C-13-H3C(O)CH3
  610474.1984  0.0101 -6.3767 3  328.8412600  595161404371523 2    371226 2      C-13-H3C(O)CH3
  610475.7913  0.0043 -4.1220 3  175.5452440  595161404271215 1    261116 1      C-13-H3C(O)CH3
  610490.6057  0.0043 -4.1220 3  175.5452440  595161404271315 1    261016 1      C-13-H3C(O)CH3
  610494.9403  0.0102 -6.3743 3  328.8425600  595161404371423 1    371126 1      C-13-H3C(O)CH3
  610494.9411  0.0102 -6.3745 3  328.8425600  595161404371523 1    371226 1      C-13-H3C(O)CH3
  610507.9863  0.1397 -5.4011 3  775.7535856  595161404533420 2    523517 2      C-13-H3C(O)CH3
  610516.3749  0.0070 -4.0367 3  219.6781472  595161404291812 0    281513 0      C-13-H3C(O)CH3
  610542.8242  0.0045 -3.6571 3  552.9901776  595161404481831 0    471730 0      C-13-H3C(O)CH3
  610542.8242  0.0045 -3.6580 3  552.9901776  595161404481731 0    471830 0      C-13-H3C(O)CH3
  610542.8242  0.0045 -6.1722 3  552.9901776  595161404481731 0    471730 0      C-13-H3C(O)CH3
  610558.0516  0.1528 -5.6375 3 1349.2823D36  595161404831172 2    831073 2      C-13-H3C(O)CH3
  610558.0516  0.1528 -5.6375 3 1349.2823D36  595161404831272 2    831173 2      C-13-H3C(O)CH3
  610558.2676  0.1506 -5.6598 3 1349.2825D36  595161404831172 1    831173 1      C-13-H3C(O)CH3
  610558.2676  0.1506 -5.6598 3 1349.2825D36  595161404831272 1    831073 1      C-13-H3C(O)CH3
  610567.3727  0.0065 -3.6570 3  552.9665776  595161404481831 1    471730 1      C-13-H3C(O)CH3
  610567.3727  0.0065 -3.6571 3  552.9665776  595161404481731 1    471830 1      C-13-H3C(O)CH3
  610570.9095  0.0067 -3.6567 3  552.9655776  595161404481731 2    471830 2      C-13-H3C(O)CH3
  610570.9095  0.0067 -3.6567 3  552.9655776  595161404481831 2    471730 2      C-13-H3C(O)CH3
  610575.8211  0.0087 -6.3755 3  328.8656600  595161404371423 0    371126 0      C-13-H3C(O)CH3
  610575.8217  0.0087 -6.3755 3  328.8656600  595161404371523 0    371226 0      C-13-H3C(O)CH3
  610595.5000  0.0070 -3.9577 3  552.9419388  595161404481831 3    471730 3      C-13-H3C(O)CH3
  610595.5000  0.0070 -3.9577 3  552.9419388  595161404481731 3    471830 3      C-13-H3C(O)CH3
  610595.5128  0.0070 -3.9577 3  552.9419388  595161404481731 4    471830 4      C-13-H3C(O)CH3
  610595.5128  0.0070 -3.9577 3  552.9419388  595161404481831 4    471730 4      C-13-H3C(O)CH3
  610651.9891  0.0044 -4.1216 3  175.5463440  595161404271215 0    261116 0      C-13-H3C(O)CH3
  610667.2002  0.0044 -4.1215 3  175.5463440  595161404271315 0    261016 0      C-13-H3C(O)CH3
  610691.1290  0.0925 -5.6459 3  879.8985452  595161404563819 4    553917 4      C-13-H3C(O)CH3
  610724.0106  0.0112 -5.2295 3  153.8768392  5951614042418 7 1    2315 9 1      C-13-H3C(O)CH3
  610734.8297  0.1154 -5.9356 3 1349.2711668  595161404831272 3    831173 3      C-13-H3C(O)CH3
  610734.8297  0.1154 -5.9356 3 1349.2711668  595161404831172 3    831073 3      C-13-H3C(O)CH3
  610735.0754  0.1154 -5.9356 3 1349.2711668  595161404831172 4    831173 4      C-13-H3C(O)CH3
  610735.0754  0.1154 -5.9356 3 1349.2711668  595161404831272 4    831073 4      C-13-H3C(O)CH3
  610776.6442  0.0764 -5.8087 3 1036.3187968  595161404604417 0    594514 0      C-13-H3C(O)CH3
  610776.6669  0.0764 -5.8087 3 1036.3187968  595161404604416 0    594515 0      C-13-H3C(O)CH3
  610814.5925  0.0906 -5.3458 3  879.8697904  595161404563819 2    553917 2      C-13-H3C(O)CH3
  610831.3670  0.0941 -5.3520 3  775.7409856  595161404533420 1    523517 1      C-13-H3C(O)CH3
  610866.3664  0.1111 -5.4472 3  775.7615428  595161404533420 3    523517 3      C-13-H3C(O)CH3
  610885.3620  0.0796 -5.8087 3 1036.3680968  595161404604416 2    594514 2      C-13-H3C(O)CH3
  610887.3268  0.1017 -5.5846 3 1299.4223D20  595161404821172 0    821073 0      C-13-H3C(O)CH3
  610887.3268  0.1017 -5.5846 3 1299.4223D20  595161404821072 0    82 973 0      C-13-H3C(O)CH3
  610904.9525  0.0152 -5.6521 3  153.8761196  5951614042418 7 3    2315 9 3      C-13-H3C(O)CH3
  610924.6504  0.0706 -6.2278 3 1168.4762A16  595161404634914 0    625013 0      C-13-H3C(O)CH3
  610924.6504  0.0706 -6.2278 3 1168.4762A16  595161404634915 0    625012 0      C-13-H3C(O)CH3
  610952.5248  0.0788 -5.8087 3 1036.3575968  595161404604416 1    594514 1      C-13-H3C(O)CH3
  610954.9054  0.0969 -6.2279 3 1168.4747A16  595161404634915 1    625013 1      C-13-H3C(O)CH3
  610966.3657  0.0922 -5.3464 3  879.8606904  595161404563819 1    553917 1      C-13-H3C(O)CH3
  610971.9973  0.0834 -5.6757 3  879.9111452  595161404563819 3    553917 3      C-13-H3C(O)CH3
  610996.6583  0.0739 -5.8087 3 1036.3387968  595161404604417 1    594515 1      C-13-H3C(O)CH3
  611051.5533  0.0922 -5.3446 3  879.8318904  595161404563819 0    553916 0      C-13-H3C(O)CH3
  611061.7234  0.0922 -6.1097 3 1036.4068484  595161404604416 4    594514 4      C-13-H3C(O)CH3
  611063.9148  0.1113 -5.5698 3 1299.4040D20  595161404821072 2    821073 2      C-13-H3C(O)CH3
  611063.9148  0.1113 -5.5698 3 1299.4040D20  595161404821172 2    82 973 2      C-13-H3C(O)CH3
  611064.9445  0.1108 -5.5732 3 1299.4042D20  595161404821072 1    821073 1      C-13-H3C(O)CH3
  611064.9445  0.1108 -5.5732 3 1299.4042D20  595161404821172 1    82 973 1      C-13-H3C(O)CH3
  611081.7301  0.0737 -5.8088 3 1036.3420968  595161404604417 2    594515 2      C-13-H3C(O)CH3
  611081.9576  0.0146 -6.1332 3  548.2255744  595161404462224 0    461927 0      C-13-H3C(O)CH3
  611084.1559  0.0146 -6.1332 3  548.2255744  595161404462324 0    462027 0      C-13-H3C(O)CH3
  611098.3068  0.0640 -5.6758 3  879.9128452  595161404563818 3    553916 3      C-13-H3C(O)CH3
  611101.3273  0.0034 -5.5249 3  314.9927552  595161404342312 1    332212 1      C-13-H3C(O)CH3
  611101.9001  0.0045 -3.6232 3  307.1180268  5951614043325 8 4    3224 8 4      C-13-H3C(O)CH3
  611105.3810  0.0914 -6.1097 3 1036.3880484  595161404604416 3    594514 3      C-13-H3C(O)CH3
  611107.6897  0.0049 -4.9099 3  314.9718276  595161404342312 3    332212 3      C-13-H3C(O)CH3
  611116.5741  0.0927 -6.2281 3 1168.4698A16  595161404634915 2    625013 2      C-13-H3C(O)CH3
  611120.8229  0.0042 -5.8914 3  314.9726276  595161404342312 4    332212 4      C-13-H3C(O)CH3
  611122.2271  0.0978 -6.2280 3 1168.5045A16  595161404634914 1    625012 1      C-13-H3C(O)CH3
  611139.6292  0.0925 -5.3444 3  879.8317904  595161404563818 0    553917 0      C-13-H3C(O)CH3
  611142.9222  0.0041 -4.9325 3  314.9963552  595161404342312 2    332212 2      C-13-H3C(O)CH3
  611144.3521  0.0040 -3.3220 3  307.1395536 -5951614043325 8 1    3224 8 1      C-13-H3C(O)CH3
  611161.8197  0.0115 -5.2517 3  153.8764392  5951614042418 7 2    2315 9 2      C-13-H3C(O)CH3
  611177.7997  0.0197 -6.1333 3  548.2027744  595161404462224 2    461927 2      C-13-H3C(O)CH3
  611180.1874  0.0197 -6.1333 3  548.2027744  595161404462324 2    462027 2      C-13-H3C(O)CH3
  611190.3390  0.1098 -6.2281 3 1168.5102A16  595161404634914 2    625012 2      C-13-H3C(O)CH3
  611198.2223  0.0158 -6.1320 3  548.2041744  595161404462224 1    461927 1      C-13-H3C(O)CH3
  611200.5527  0.0158 -6.1320 3  548.2041744  595161404462324 1    462027 1      C-13-H3C(O)CH3
  611202.0194  0.0040 -3.3216 3  307.1493536  5951614043325 9 2    3224 8 2      C-13-H3C(O)CH3
  611216.2803  0.0767 -5.3456 3  879.8839904  595161404563818 2    553916 2      C-13-H3C(O)CH3
  611224.7909  0.0044 -3.6232 3  307.1154268  5951614043325 8 3    3224 8 3      C-13-H3C(O)CH3
  611234.2720  0.0775 -6.1033 3  775.7492428  595161404533420 3    523518 3      C-13-H3C(O)CH3
  611235.6951  0.0151 -5.4949 3  153.8761196  5951614042418 6 3    2315 9 3      C-13-H3C(O)CH3
  611238.9816  0.0034 -3.3214 3  307.1707536 -5951614043325 9 0    3224 8 0      C-13-H3C(O)CH3
  611241.6782  0.1024 -5.8765 3 1299.3859660  595161404821172 3    82 973 3      C-13-H3C(O)CH3
  611241.6782  0.1024 -5.8765 3 1299.3859660  595161404821072 3    821073 3      C-13-H3C(O)CH3
  611241.8810  0.1024 -6.1343 3 1299.3858660  595161404821172 4    82 973 4      C-13-H3C(O)CH3
  611241.8810  0.1024 -6.2121 3 1299.3858660  595161404821172 4    821073 4      C-13-H3C(O)CH3
  611241.8810  0.1024 -6.1343 3 1299.3858660  595161404821072 4    821073 4      C-13-H3C(O)CH3
  611241.8810  0.1024 -6.2121 3 1299.3858660  595161404821072 4    82 973 4      C-13-H3C(O)CH3
  611248.0520  0.0049 -3.9080 3  624.0869460 -59516140457 850 3    56 849 3      C-13-H3C(O)CH3
  611248.0520  0.0049 -3.8578 3  624.0869460 -59516140457 850 4    56 849 4      C-13-H3C(O)CH3
  611248.0520  0.0049 -4.8018 3  624.0869460 -59516140457 850 3    56 749 3      C-13-H3C(O)CH3
  611248.0520  0.0049 -3.8578 3  624.0869460 -59516140457 750 4    56 749 4      C-13-H3C(O)CH3
  611248.0520  0.0049 -4.8018 3  624.0869460 -59516140457 750 3    56 849 3      C-13-H3C(O)CH3
  611248.0520  0.0049 -3.9080 3  624.0869460 -59516140457 750 3    56 749 3      C-13-H3C(O)CH3
  611248.0520  0.0049 -6.1988 3  624.0869460 -59516140457 750 4    56 849 4      C-13-H3C(O)CH3
  611248.0520  0.0049 -6.1988 3  624.0869460 -59516140457 850 4    56 749 4      C-13-H3C(O)CH3
  611249.1148  0.0034 -3.3214 3  307.1705536  5951614043325 8 0    3224 9 0      C-13-H3C(O)CH3
  611258.1230  0.0893 -6.1098 3 1036.3808484  595161404604417 3    594515 3      C-13-H3C(O)CH3
  611262.0502  0.0083 -3.7453 3  624.1158920  59516140457 850 1    56 749 1      C-13-H3C(O)CH3
  611262.0502  0.0083 -4.0045 3  624.1158920  59516140457 850 1    56 849 1      C-13-H3C(O)CH3
  611262.0502  0.0083 -4.0045 3  624.1158920  59516140457 750 1    56 749 1      C-13-H3C(O)CH3
  611262.0502  0.0083 -3.7453 3  624.1158920  59516140457 750 1    56 849 1      C-13-H3C(O)CH3
  611262.5416  0.0081 -3.7651 3  624.1155920  59516140457 850 2    56 749 2      C-13-H3C(O)CH3
  611262.5416  0.0081 -3.9707 3  624.1155920  59516140457 850 2    56 849 2      C-13-H3C(O)CH3
  611262.5416  0.0081 -3.9707 3  624.1155920  59516140457 750 2    56 749 2      C-13-H3C(O)CH3
  611262.5416  0.0081 -3.7651 3  624.1155920  59516140457 750 2    56 849 2      C-13-H3C(O)CH3
  611263.6382  0.0932 -5.3461 3  879.8731904  595161404563818 1    553916 1      C-13-H3C(O)CH3
  611276.0994  0.0045 -3.9140 3  624.1444920 -59516140457 850 0    56 749 0      C-13-H3C(O)CH3
  611276.0994  0.0045 -3.8046 3  624.1444920 -59516140457 850 0    56 849 0      C-13-H3C(O)CH3
  611276.0994  0.0045 -3.8046 3  624.1444920 -59516140457 750 0    56 749 0      C-13-H3C(O)CH3
  611276.0994  0.0045 -3.9140 3  624.1444920 -59516140457 750 0    56 849 0      C-13-H3C(O)CH3
  611285.5488  0.0042 -3.6228 3  307.1075268  5951614043325 9 3    3224 9 3      C-13-H3C(O)CH3
  611303.1581  0.0925 -6.1098 3 1036.3620484  595161404604417 4    594515 4      C-13-H3C(O)CH3
  611324.2896  0.0036 -3.3217 3  307.1467536 -5951614043325 8 2    3224 9 2      C-13-H3C(O)CH3
  611326.8490  0.0033 -3.3217 3  307.1290536 -5951614043325 9 1    3224 9 1      C-13-H3C(O)CH3
  611381.1045  0.0721 -5.6455 3  879.9254452  595161404563818 4    553916 4      C-13-H3C(O)CH3
  611397.5241  0.0045 -4.2825 3  564.6510792  595161404491633 0    481632 0      C-13-H3C(O)CH3
  611397.5241  0.0045 -3.7593 3  564.6510792  595161404491633 0    481732 0      C-13-H3C(O)CH3
  611397.5241  0.0045 -4.2825 3  564.6510792  595161404491733 0    481732 0      C-13-H3C(O)CH3
  611397.5241  0.0045 -3.7593 3  564.6510792  595161404491733 0    481632 0      C-13-H3C(O)CH3
  611399.0580  0.0775 -6.2475 3 1250.1282D04  595161404811072 0    81 973 0      C-13-H3C(O)CH3
  611399.0580  0.0775 -5.5986 3 1250.1282D04  595161404811072 0    81 873 0      C-13-H3C(O)CH3
  611399.0580  0.0775 -5.5986 3 1250.1282D04  59516140481 972 0    81 973 0      C-13-H3C(O)CH3
  611399.0580  0.0775 -6.2475 3 1250.1282D04  59516140481 972 0    81 873 0      C-13-H3C(O)CH3
  611408.1598  0.0040 -3.6230 3  307.1049268  5951614043325 9 4    3224 9 4      C-13-H3C(O)CH3
  611420.3689  0.0069 -3.6847 3  564.6267792  595161404491733 1    481732 1      C-13-H3C(O)CH3
  611420.3689  0.0069 -4.7077 3  564.6267792  595161404491733 1    481632 1      C-13-H3C(O)CH3
  611420.3689  0.0069 -3.6847 3  564.6267792  595161404491633 1    481632 1      C-13-H3C(O)CH3
  611420.3689  0.0069 -4.7077 3  564.6267792  595161404491633 1    481732 1      C-13-H3C(O)CH3
  611423.1048  0.0070 -4.3254 3  564.6258792  595161404491633 2    481632 2      C-13-H3C(O)CH3
  611423.1048  0.0070 -3.7472 3  564.6258792  595161404491733 2    481632 2      C-13-H3C(O)CH3
  611423.1048  0.0070 -4.3254 3  564.6258792  595161404491733 2    481732 2      C-13-H3C(O)CH3
  611423.1048  0.0070 -3.7472 3  564.6258792  595161404491633 2    481732 2      C-13-H3C(O)CH3
  611445.9896  0.0072 -4.3337 3  564.6014396  595161404491633 3    481732 3      C-13-H3C(O)CH3
  611445.9896  0.0072 -4.3337 3  564.6014396  595161404491733 3    481632 3      C-13-H3C(O)CH3
  611445.9896  0.0072 -4.1755 3  564.6014396  595161404491733 3    481732 3      C-13-H3C(O)CH3
  611445.9896  0.0072 -4.1755 3  564.6014396  595161404491633 3    481632 3      C-13-H3C(O)CH3
  611445.9984  0.0072 -4.9069 3  564.6014396  595161404491633 4    481732 4      C-13-H3C(O)CH3
  611445.9984  0.0072 -3.9967 3  564.6014396  595161404491633 4    481632 4      C-13-H3C(O)CH3
  611445.9984  0.0072 -3.9967 3  564.6014396  595161404491733 4    481732 4      C-13-H3C(O)CH3
  611445.9984  0.0072 -4.9069 3  564.6014396  595161404491733 4    481632 4      C-13-H3C(O)CH3
  611500.3510  0.0619 -5.0596 3  775.7048856  595161404533420 0    523517 0      C-13-H3C(O)CH3
  611561.8714  0.0898 -6.0484 3 1250.1036D04  595161404811072 2    81 873 2      C-13-H3C(O)CH3
  611561.8714  0.0898 -6.0484 3 1250.1036D04  59516140481 972 2    81 973 2      C-13-H3C(O)CH3
  611561.8714  0.0898 -5.6589 3 1250.1036D04  59516140481 972 2    81 873 2      C-13-H3C(O)CH3
  611561.8714  0.0898 -5.6589 3 1250.1036D04  595161404811072 2    81 973 2      C-13-H3C(O)CH3
  611563.0955  0.0921 -5.5504 3 1250.1037D04  595161404811072 1    81 973 1      C-13-H3C(O)CH3
  611563.0955  0.0921 -5.5504 3 1250.1037D04  59516140481 972 1    81 873 1      C-13-H3C(O)CH3
  611726.0193  0.0915 -5.8710 3 1250.0791652  595161404811072 3    81 973 3      C-13-H3C(O)CH3
  611726.0193  0.0915 -5.8710 3 1250.0791652  59516140481 972 3    81 873 3      C-13-H3C(O)CH3
  611726.1365  0.0915 -5.8265 3 1250.0790652  595161404811072 4    81 973 4      C-13-H3C(O)CH3
  611726.1365  0.0915 -5.8265 3 1250.0790652  59516140481 972 4    81 873 4      C-13-H3C(O)CH3
  611797.3478  0.0695 -5.3231 3  775.7105856  595161404533420 2    523518 2      C-13-H3C(O)CH3
  611836.9315  0.0819 -5.5221 3  775.7175428  595161404533420 4    523518 4      C-13-H3C(O)CH3
  611859.0630  0.0643 -5.3691 3  775.7066856  595161404533420 1    523518 1      C-13-H3C(O)CH3
  611902.1347  0.0061 -5.1118 3  162.9318204  5951614042517 8 3    241411 3      C-13-H3C(O)CH3
  611922.7639  0.0662 -5.4838 3 1201.4112C88  59516140480 972 0    80 773 0      C-13-H3C(O)CH3
  611922.7639  0.0662 -5.4838 3 1201.4112C88  59516140480 872 0    80 873 0      C-13-H3C(O)CH3
  612053.6033  0.0987 -5.4735 3 1201.3816C88  59516140480 972 2    80 873 2      C-13-H3C(O)CH3
  612053.6033  0.0987 -5.4735 3 1201.3816C88  59516140480 872 2    80 773 2      C-13-H3C(O)CH3
  612054.4137  0.1022 -5.5074 3 1201.3817C88  59516140480 972 1    80 873 1      C-13-H3C(O)CH3
  612054.4137  0.1022 -5.5074 3 1201.3817C88  59516140480 872 1    80 773 1      C-13-H3C(O)CH3
  612185.3006  0.0831 -6.0611 3 1201.3520644  59516140480 972 4    80 773 4      C-13-H3C(O)CH3
  612185.3006  0.0831 -6.0572 3 1201.3520644  59516140480 972 4    80 873 4      C-13-H3C(O)CH3
  612185.3006  0.0831 -6.0572 3 1201.3520644  59516140480 872 4    80 773 4      C-13-H3C(O)CH3
  612185.3006  0.0831 -6.0611 3 1201.3520644  59516140480 872 4    80 873 4      C-13-H3C(O)CH3
  612185.3208  0.0830 -5.9011 3 1201.3520644  59516140480 872 3    80 873 3      C-13-H3C(O)CH3
  612185.3208  0.0830 -5.9059 3 1201.3520644  59516140480 972 3    80 773 3      C-13-H3C(O)CH3
  612185.3208  0.0830 -6.2980 3 1201.3520644  59516140480 972 3    80 873 3      C-13-H3C(O)CH3
  612185.3208  0.0830 -6.3101 3 1201.3520644  59516140480 872 3    80 773 3      C-13-H3C(O)CH3
  612186.3656  0.0080 -4.9677 3  153.8792392  5951614042418 6 0    2315 9 0      C-13-H3C(O)CH3
  612237.4701  0.0067 -4.8301 3  162.9347408  5951614042517 8 1    241411 1      C-13-H3C(O)CH3
  612258.7380  0.0086 -5.1614 3  162.9316204  5951614042517 8 4    241411 4      C-13-H3C(O)CH3
  612287.9660  0.0123 -5.3055 3  153.8768392  5951614042418 6 1    2315 9 1      C-13-H3C(O)CH3
  612294.6439  0.0127 -3.7836 3  367.9916600  595161404372315 1    362214 1      C-13-H3C(O)CH3
  612310.4038  0.0065 -4.8183 3  162.9302408  5951614042517 8 2    241411 2      C-13-H3C(O)CH3
  612323.7482  0.0046 -3.7491 3  575.7406808  595161404501635 0    491534 0      C-13-H3C(O)CH3
  612323.7482  0.0046 -4.2741 3  575.7406808  595161404501635 0    491634 0      C-13-H3C(O)CH3
  612323.7482  0.0046 -3.7491 3  575.7406808  595161404501535 0    491634 0      C-13-H3C(O)CH3
  612323.7482  0.0046 -4.2741 3  575.7406808  595161404501535 0    491534 0      C-13-H3C(O)CH3
  612344.3704  0.0073 -4.1695 3  575.7154808  595161404501535 1    491534 1      C-13-H3C(O)CH3
  612344.3704  0.0073 -4.1695 3  575.7154808  595161404501635 1    491634 1      C-13-H3C(O)CH3
  612344.3704  0.0073 -3.7859 3  575.7154808  595161404501535 1    491634 1      C-13-H3C(O)CH3
  612344.3704  0.0073 -3.7859 3  575.7154808  595161404501635 1    491534 1      C-13-H3C(O)CH3
  612346.5177  0.0074 -5.6406 3  575.7146808  595161404501535 2    491534 2      C-13-H3C(O)CH3
  612346.5177  0.0074 -3.6399 3  575.7146808  595161404501535 2    491634 2      C-13-H3C(O)CH3
  612346.5177  0.0074 -5.6406 3  575.7146808  595161404501635 2    491634 2      C-13-H3C(O)CH3
  612346.5177  0.0074 -3.6399 3  575.7146808  595161404501635 2    491534 2      C-13-H3C(O)CH3
  612366.1681  0.0045 -3.8942 3  630.2033468 -59516140458 752 3    57 751 3      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.8389 3  630.2033468 -59516140458 652 3    57 751 3      C-13-H3C(O)CH3
  612366.1681  0.0045 -3.8942 3  630.2033468 -59516140458 652 3    57 651 3      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.8389 3  630.2033468 -59516140458 752 3    57 651 3      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.2706 3  630.2033468 -59516140458 652 4    57 651 4      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.0534 3  630.2033468 -59516140458 652 4    57 751 4      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.0534 3  630.2033468 -59516140458 752 4    57 651 4      C-13-H3C(O)CH3
  612366.1681  0.0045 -4.2706 3  630.2033468 -59516140458 752 4    57 751 4      C-13-H3C(O)CH3
  612367.1770  0.0072 -4.0054 3  575.6893404  595161404501635 3    491534 3      C-13-H3C(O)CH3
  612367.1770  0.0072 -4.7707 3  575.6893404  595161404501535 3    491534 3      C-13-H3C(O)CH3
  612367.1770  0.0072 -4.0054 3  575.6893404  595161404501535 3    491634 3      C-13-H3C(O)CH3
  612367.1770  0.0072 -4.7707 3  575.6893404  595161404501635 3    491634 3      C-13-H3C(O)CH3
  612367.1802  0.0072 -3.9443 3  575.6893404  595161404501535 4    491534 4      C-13-H3C(O)CH3
  612367.1802  0.0072 -3.9443 3  575.6893404  595161404501635 4    491634 4      C-13-H3C(O)CH3
  612367.1802  0.0072 -5.6929 3  575.6893404  595161404501635 4    491534 4      C-13-H3C(O)CH3
  612367.1802  0.0072 -5.6929 3  575.6893404  595161404501535 4    491634 4      C-13-H3C(O)CH3
  612385.1526  0.0072 -4.0797 3  630.2292936 -59516140458 652 2    57 651 2      C-13-H3C(O)CH3
  612385.1526  0.0074 -3.8889 3  630.2295936 -59516140458 652 1    57 651 1      C-13-H3C(O)CH3
  612385.1526  0.0074 -3.8889 3  630.2295936 -59516140458 752 1    57 751 1      C-13-H3C(O)CH3
  612385.1526  0.0072 -3.6971 3  630.2292936 -59516140458 652 2    57 751 2      C-13-H3C(O)CH3
  612385.1526  0.0072 -3.6971 3  630.2292936 -59516140458 752 2    57 651 2      C-13-H3C(O)CH3
  612385.1526  0.0072 -4.0797 3  630.2292936 -59516140458 752 2    57 751 2      C-13-H3C(O)CH3
  612385.1526  0.0074 -3.8098 3  630.2295936 -59516140458 652 1    57 751 1      C-13-H3C(O)CH3
  612385.1526  0.0074 -3.8098 3  630.2295936 -59516140458 752 1    57 651 1      C-13-H3C(O)CH3
  612402.8912  0.0120 -3.7833 3  368.0085600 -595161404372315 0    362214 0      C-13-H3C(O)CH3
  612404.1228  0.0126 -5.2849 3  153.8764392  5951614042418 6 2    2315 9 2      C-13-H3C(O)CH3
  612404.2589  0.0043 -3.7659 3  630.2554936 -59516140458 752 0    57 651 0      C-13-H3C(O)CH3
  612404.2589  0.0043 -3.7659 3  630.2554936 -59516140458 652 0    57 751 0      C-13-H3C(O)CH3
  612404.4527  0.0043 -3.9483 3  630.2554936  59516140458 652 0    57 651 0      C-13-H3C(O)CH3
  612404.4527  0.0043 -3.9483 3  630.2554936  59516140458 752 0    57 751 0      C-13-H3C(O)CH3
  612449.5014  0.0067 -4.8072 3  162.9332408  5951614042517 8 0    241411 0      C-13-H3C(O)CH3
  612465.1358  0.0680 -5.9724 3 1153.2711C72  59516140479 872 0    79 673 0      C-13-H3C(O)CH3
  612465.1358  0.0680 -5.5528 3 1153.2711C72  59516140479 772 0    79 673 0      C-13-H3C(O)CH3
  612465.1358  0.0680 -5.9724 3 1153.2711C72  59516140479 772 0    79 773 0      C-13-H3C(O)CH3
  612465.1358  0.0680 -5.5528 3 1153.2711C72  59516140479 872 0    79 773 0      C-13-H3C(O)CH3
  612512.5993  0.0037 -3.5034 3  314.9927552  595161404342311 1    332212 1      C-13-H3C(O)CH3
  612519.1928  0.0034 -3.4987 3  315.0166552 -595161404342311 0    332212 0      C-13-H3C(O)CH3
  612540.8307  0.1248 -5.4364 3 1153.2387C72  59516140479 772 1    79 773 1      C-13-H3C(O)CH3
  612540.8307  0.1248 -5.4364 3 1153.2387C72  59516140479 872 1    79 673 1      C-13-H3C(O)CH3
  612540.9381  0.1221 -5.4473 3 1153.2385C72  59516140479 772 2    79 773 2      C-13-H3C(O)CH3
  612540.9381  0.1221 -5.4473 3 1153.2385C72  59516140479 872 2    79 673 2      C-13-H3C(O)CH3
  612542.2638  0.0052 -3.8036 3  314.9726276  595161404342311 4    332212 4      C-13-H3C(O)CH3
  612555.6598  0.0173 -4.0835 3  367.9593300  595161404372315 3    362214 3      C-13-H3C(O)CH3
  612557.4404  0.0161 -4.0836 3  367.9589300  595161404372315 4    362214 4      C-13-H3C(O)CH3
  612584.3881  0.0069 -3.5147 3  314.9963552  595161404342311 2    332212 2      C-13-H3C(O)CH3
  612601.3923  0.0177 -5.6609 3  153.8719196  5951614042418 6 4    2315 9 4      C-13-H3C(O)CH3
  612609.3929  0.0104 -3.8351 3  314.9718276  595161404342311 3    332212 3      C-13-H3C(O)CH3
  612616.4413  0.0766 -5.7568 3 1153.2061636  59516140479 772 4    79 673 4      C-13-H3C(O)CH3
  612616.4413  0.0766 -5.7568 3 1153.2061636  59516140479 872 4    79 773 4      C-13-H3C(O)CH3
  612616.6523  0.0766 -5.7152 3 1153.2061636  59516140479 772 3    79 773 3      C-13-H3C(O)CH3
  612616.6523  0.0766 -5.7152 3 1153.2061636  59516140479 872 3    79 673 3      C-13-H3C(O)CH3
  612669.4142  0.0148 -3.7822 3  367.9759600  595161404372315 2    362214 2      C-13-H3C(O)CH3
  613016.2335  0.0712 -5.7150 3 1105.6428628  59516140478 772 4    78 573 4      C-13-H3C(O)CH3
  613016.2335  0.0712 -5.7150 3 1105.6428628  59516140478 672 4    78 673 4      C-13-H3C(O)CH3
  613016.6746  0.0711 -5.7500 3 1105.6428628  59516140478 772 3    78 673 3      C-13-H3C(O)CH3
  613016.6746  0.0711 -5.7500 3 1105.6428628  59516140478 672 3    78 573 3      C-13-H3C(O)CH3
  613024.5335  0.1423 -5.4126 3 1105.6751C56  59516140478 672 1    78 573 1      C-13-H3C(O)CH3
  613024.5335  0.1423 -5.4126 3 1105.6751C56  59516140478 772 1    78 673 1      C-13-H3C(O)CH3
  613025.8471  0.1409 -6.2432 3 1105.6750C56  59516140478 772 2    78 673 2      C-13-H3C(O)CH3
  613025.8471  0.1409 -6.2432 3 1105.6750C56  59516140478 672 2    78 573 2      C-13-H3C(O)CH3
  613025.8471  0.1409 -5.4413 3 1105.6750C56  59516140478 672 2    78 673 2      C-13-H3C(O)CH3
  613025.8471  0.1409 -5.4413 3 1105.6750C56  59516140478 772 2    78 573 2      C-13-H3C(O)CH3
  613033.6670  0.0739 -5.4044 3 1105.7073C56  59516140478 672 0    78 573 0      C-13-H3C(O)CH3
  613033.6670  0.0739 -5.4044 3 1105.7073C56  59516140478 772 0    78 673 0      C-13-H3C(O)CH3
  613068.4888  0.0314 -6.1678 3  717.9678840  595161404522725 0    522428 0      C-13-H3C(O)CH3
  613110.3695  0.0479 -6.1676 3  717.9609840  595161404522725 2    522428 2      C-13-H3C(O)CH3
  613124.7947  0.0342 -6.1670 3  717.9615840  595161404522725 1    522428 1      C-13-H3C(O)CH3
  613145.9041  0.0312 -6.1677 3  717.9678840  595161404522825 0    522528 0      C-13-H3C(O)CH3
  613192.9181  0.0469 -6.1675 3  717.9609840  595161404522825 2    522528 2      C-13-H3C(O)CH3
  613206.7588  0.0342 -6.1669 3  717.9615840  595161404522825 1    522528 1      C-13-H3C(O)CH3
  613300.8614  0.0046 -4.3894 3  586.2669824  595161404511437 0    501436 0      C-13-H3C(O)CH3
  613300.8614  0.0046 -3.7094 3  586.2669824  595161404511537 0    501436 0      C-13-H3C(O)CH3
  613300.8614  0.0046 -4.3894 3  586.2669824  595161404511537 0    501536 0      C-13-H3C(O)CH3
  613300.8614  0.0046 -3.7094 3  586.2669824  595161404511437 0    501536 0      C-13-H3C(O)CH3
  613318.7739  0.0078 -3.9013 3  586.2406824  595161404511437 1    501536 1      C-13-H3C(O)CH3
  613318.7739  0.0078 -3.9563 3  586.2406824  595161404511537 1    501536 1      C-13-H3C(O)CH3
  613318.7739  0.0078 -3.9563 3  586.2406824  595161404511437 1    501436 1      C-13-H3C(O)CH3
  613318.7739  0.0078 -3.9013 3  586.2406824  595161404511537 1    501436 1      C-13-H3C(O)CH3
  613320.4792  0.0078 -3.6740 3  586.2400824  595161404511437 2    501536 2      C-13-H3C(O)CH3
  613320.4792  0.0078 -4.6151 3  586.2400824  595161404511537 2    501536 2      C-13-H3C(O)CH3
  613320.4792  0.0078 -3.6740 3  586.2400824  595161404511537 2    501436 2      C-13-H3C(O)CH3
  613320.4792  0.0078 -4.6151 3  586.2400824  595161404511437 2    501436 2      C-13-H3C(O)CH3
  613338.4218  0.0072 -5.0256 3  586.2136412  595161404511437 4    501536 4      C-13-H3C(O)CH3
  613338.4218  0.0072 -3.9640 3  586.2136412  595161404511437 4    501436 4      C-13-H3C(O)CH3
  613338.4218  0.0072 -3.9640 3  586.2136412  595161404511537 4    501536 4      C-13-H3C(O)CH3
  613338.4218  0.0072 -5.0256 3  586.2136412  595161404511537 4    501436 4      C-13-H3C(O)CH3
  613338.4252  0.0072 -6.1537 3  586.2137412  595161404511437 3    501536 3      C-13-H3C(O)CH3
  613338.4252  0.0072 -3.9305 3  586.2137412  595161404511437 3    501436 3      C-13-H3C(O)CH3
  613338.4252  0.0072 -6.1537 3  586.2137412  595161404511537 3    501436 3      C-13-H3C(O)CH3
  613338.4252  0.0072 -3.9305 3  586.2137412  595161404511537 3    501536 3      C-13-H3C(O)CH3
  613380.9696  0.0659 -6.1228 3 1058.6637620  59516140477 672 4    77 573 4      C-13-H3C(O)CH3
  613380.9696  0.0659 -5.8395 3 1058.6637620  59516140477 672 4    77 473 4      C-13-H3C(O)CH3
  613380.9696  0.0659 -5.8395 3 1058.6637620  59516140477 572 4    77 573 4      C-13-H3C(O)CH3
  613380.9696  0.0659 -6.1228 3 1058.6637620  59516140477 572 4    77 473 4      C-13-H3C(O)CH3
  613381.6361  0.0658 -5.9170 3 1058.6637620  59516140477 572 3    77 473 3      C-13-H3C(O)CH3
  613381.6361  0.0658 -6.0043 3 1058.6637620  59516140477 572 3    77 573 3      C-13-H3C(O)CH3
  613381.6361  0.0658 -6.0043 3 1058.6637620  59516140477 672 3    77 473 3      C-13-H3C(O)CH3
  613381.6361  0.0658 -5.9170 3 1058.6637620  59516140477 672 3    77 573 3      C-13-H3C(O)CH3
  613493.4063  0.0041 -3.8548 3  635.7824476  59516140459 554 4    58 653 4      C-13-H3C(O)CH3
  613493.4063  0.0041 -5.2818 3  635.7824476  59516140459 654 4    58 653 4      C-13-H3C(O)CH3
  613493.4492  0.0041 -3.8548 3  635.7824476 -59516140459 654 4    58 553 4      C-13-H3C(O)CH3
  613493.4492  0.0041 -4.5916 3  635.7824476 -59516140459 654 3    58 553 3      C-13-H3C(O)CH3
  613493.4492  0.0041 -3.9233 3  635.7824476 -59516140459 554 3    58 553 3      C-13-H3C(O)CH3
  613493.4492  0.0041 -5.2818 3  635.7824476 -59516140459 554 4    58 553 4      C-13-H3C(O)CH3
  613493.4553  0.0041 -3.9233 3  635.7824476  59516140459 654 3    58 653 3      C-13-H3C(O)CH3
  613493.4553  0.0041 -4.5916 3  635.7824476  59516140459 554 3    58 653 3      C-13-H3C(O)CH3
  613498.8262  0.0050 -4.3441 3  195.8988228  595161404281414 3    271315 3      C-13-H3C(O)CH3
  613499.9694  0.0061 -4.3441 3  195.8989228  595161404281414 4    271315 4      C-13-H3C(O)CH3
  613507.9797  0.1444 -5.4357 3 1058.6915C40  59516140477 672 1    77 573 1      C-13-H3C(O)CH3
  613507.9797  0.1444 -5.4357 3 1058.6915C40  59516140477 572 1    77 473 1      C-13-H3C(O)CH3
  613507.9797  0.1444 -6.1331 3 1058.6915C40  59516140477 572 1    77 573 1      C-13-H3C(O)CH3
  613507.9797  0.1444 -6.1331 3 1058.6915C40  59516140477 672 1    77 473 1      C-13-H3C(O)CH3
  613510.4391  0.1439 -5.4572 3 1058.6913C40  59516140477 572 2    77 473 2      C-13-H3C(O)CH3
  613510.4391  0.1439 -6.0393 3 1058.6913C40  59516140477 572 2    77 573 2      C-13-H3C(O)CH3
  613510.4391  0.1439 -5.4572 3 1058.6913C40  59516140477 672 2    77 573 2      C-13-H3C(O)CH3
  613510.4391  0.1439 -6.0393 3 1058.6913C40  59516140477 672 2    77 473 2      C-13-H3C(O)CH3
  613516.9304  0.0063 -4.3109 3  635.8041952  59516140459 554 1    58 653 1      C-13-H3C(O)CH3
  613516.9304  0.0063 -3.6181 3  635.8041952  59516140459 654 1    58 653 1      C-13-H3C(O)CH3
  613517.2008  0.0063 -4.3109 3  635.8041952 -59516140459 654 1    58 553 1      C-13-H3C(O)CH3
  613517.2008  0.0060 -4.0260 3  635.8038952 -59516140459 654 2    58 653 2      C-13-H3C(O)CH3
  613517.2008  0.0060 -3.7086 3  635.8038952 -59516140459 554 2    58 653 2      C-13-H3C(O)CH3
  613517.2008  0.0063 -3.6181 3  635.8041952 -59516140459 554 1    58 553 1      C-13-H3C(O)CH3
  613517.2344  0.0060 -4.0260 3  635.8038952  59516140459 554 2    58 553 2      C-13-H3C(O)CH3
  613517.2344  0.0060 -3.7086 3  635.8038952  59516140459 654 2    58 553 2      C-13-H3C(O)CH3
  613540.6835  0.0040 -4.7140 3  635.8255952 -59516140459 554 0    58 653 0      C-13-H3C(O)CH3
  613540.6835  0.0040 -4.7140 3  635.8255952 -59516140459 654 0    58 553 0      C-13-H3C(O)CH3
  613540.6858  0.0040 -3.5679 3  635.8255952  59516140459 554 0    58 553 0      C-13-H3C(O)CH3
  613540.6858  0.0040 -3.5679 3  635.8255952  59516140459 654 0    58 653 0      C-13-H3C(O)CH3
  613595.5623  0.0047 -4.0429 3  195.9058456  595161404281414 2    271315 2      C-13-H3C(O)CH3
  613636.6571  0.0753 -5.5929 3 1058.7191C40  59516140477 572 0    77 573 0      C-13-H3C(O)CH3
  613636.6571  0.0753 -5.5929 3 1058.7191C40  59516140477 672 0    77 473 0      C-13-H3C(O)CH3
  613636.6571  0.0753 -5.7325 3 1058.7191C40  59516140477 672 0    77 573 0      C-13-H3C(O)CH3
  613636.6571  0.0753 -5.7325 3 1058.7191C40  59516140477 572 0    77 473 0      C-13-H3C(O)CH3
  613651.9367  0.0047 -4.0429 3  195.9090456  595161404281414 1    271315 1      C-13-H3C(O)CH3
  613706.5862  0.0619 -5.6866 3 1012.2705612  59516140476 472 4    76 473 4      C-13-H3C(O)CH3
  613706.5862  0.0619 -5.6866 3 1012.2705612  59516140476 572 4    76 373 4      C-13-H3C(O)CH3
  613707.3801  0.0618 -5.6553 3 1012.2705612  59516140476 572 3    76 373 3      C-13-H3C(O)CH3
  613707.3801  0.0618 -5.6553 3 1012.2705612  59516140476 472 3    76 473 3      C-13-H3C(O)CH3
  613748.2530  0.0046 -4.0428 3  195.9160456  595161404281414 0    271315 0      C-13-H3C(O)CH3
  613763.8677  0.0054 -3.6227 3  311.4820552  595161404342212 2    332113 2      C-13-H3C(O)CH3
  613776.0286  0.0048 -3.6228 3  311.5043552 -595161404342212 0    332113 0      C-13-H3C(O)CH3
  613793.8934  0.0060 -3.9241 3  311.4613276  595161404342212 4    332113 4      C-13-H3C(O)CH3
  613812.1195  0.0065 -3.9253 3  311.4613276  595161404342212 3    332113 3      C-13-H3C(O)CH3
  613815.2429  0.0051 -3.6238 3  311.4837552  595161404342212 1    332113 1      C-13-H3C(O)CH3
  613847.7686  0.1098 -6.2775 3  873.8487920  595161404573126 2    572829 2      C-13-H3C(O)CH3
  613848.6485  0.0813 -6.2773 3  873.8482920  595161404573126 1    572829 1      C-13-H3C(O)CH3
  613878.9946  0.0100 -5.5127 3  132.0153376  5951614042314 9 2    221112 2      C-13-H3C(O)CH3
  613918.9364  0.0787 -6.2777 3  873.8431920  595161404573126 0    572829 0      C-13-H3C(O)CH3
  613928.1663  0.0719 -6.0530 3 1120.2909A00  595161404624716 0    614813 0      C-13-H3C(O)CH3
  613928.1665  0.0719 -6.0530 3 1120.2909A00  595161404624715 0    614814 0      C-13-H3C(O)CH3
  613970.1122  0.0058 -4.3437 3  195.8984228  595161404281514 4    271215 4      C-13-H3C(O)CH3
  613970.3550  0.0048 -4.3437 3  195.8983228  595161404281514 3    271215 3      C-13-H3C(O)CH3
  613988.7117  0.0650 -6.0029 3  966.4650604  59516140475 372 4    75 373 4      C-13-H3C(O)CH3
  613988.7117  0.0650 -5.9644 3  966.4650604  59516140475 372 4    75 273 4      C-13-H3C(O)CH3
  613988.7117  0.0650 -5.9644 3  966.4650604  59516140475 472 4    75 373 4      C-13-H3C(O)CH3
  613988.7117  0.0650 -6.0029 3  966.4650604  59516140475 472 4    75 273 4      C-13-H3C(O)CH3
  613989.3624  0.0647 -5.6964 3  966.4650604  59516140475 372 3    75 273 3      C-13-H3C(O)CH3
  613989.3624  0.0647 -5.6964 3  966.4650604  59516140475 472 3    75 373 3      C-13-H3C(O)CH3
  613993.9096  0.1265 -6.2672 3 1012.2882C24  59516140476 472 1    76 373 1      C-13-H3C(O)CH3
  613993.9096  0.1265 -5.4103 3 1012.2882C24  59516140476 472 1    76 473 1      C-13-H3C(O)CH3
  613993.9096  0.1265 -5.4103 3 1012.2882C24  59516140476 572 1    76 373 1      C-13-H3C(O)CH3
  613993.9096  0.1265 -6.2672 3 1012.2882C24  59516140476 572 1    76 473 1      C-13-H3C(O)CH3
  613996.9521  0.1258 -5.3841 3 1012.2878C24  59516140476 472 2    76 373 2      C-13-H3C(O)CH3
  613996.9521  0.1258 -5.3841 3 1012.2878C24  59516140476 572 2    76 473 2      C-13-H3C(O)CH3
  614008.0889  0.0115 -5.8192 3  132.0260188  5951614042314 9 3    221112 3      C-13-H3C(O)CH3
  614018.7024  0.0150 -5.8195 3  132.0260188  5951614042314 9 4    221112 4      C-13-H3C(O)CH3
  614021.7298  0.0096 -5.5104 3  132.0076376  5951614042314 9 0    221112 0      C-13-H3C(O)CH3
  614058.2802  0.0858 -6.0530 3 1120.2969A00  595161404624716 1    614814 1      C-13-H3C(O)CH3
  614077.2190  0.0046 -4.0425 3  195.9053456  595161404281514 2    271215 2      C-13-H3C(O)CH3
  614119.4508  0.0046 -4.0425 3  195.9085456  595161404281514 1    271215 1      C-13-H3C(O)CH3
  614148.1194  0.0848 -6.0530 3 1120.3250A00  595161404624715 1    614813 1      C-13-H3C(O)CH3
  614149.7940  0.0958 -6.0531 3 1120.3334A00  595161404624715 2    614813 2      C-13-H3C(O)CH3
  614152.6312  0.0101 -5.5161 3  132.0183376  5951614042314 9 1    221112 1      C-13-H3C(O)CH3
  614191.7471  0.1365 -5.5523 3  744.6939420  595161404523319 4    513417 4      C-13-H3C(O)CH3
  614193.5569  0.0812 -6.0532 3 1120.2957A00  595161404624716 2    614814 2      C-13-H3C(O)CH3
  614222.6849  0.0847 -5.7848 3  921.2490596  59516140474 372 3    74 273 3      C-13-H3C(O)CH3
  614222.6849  0.0847 -5.7848 3  921.2490596  59516140474 272 3    74 173 3      C-13-H3C(O)CH3
  614222.7408  0.0851 -5.9957 3  921.2490596  59516140474 372 4    74 173 4      C-13-H3C(O)CH3
  614222.7408  0.0851 -6.1418 3  921.2490596  59516140474 372 4    74 273 4      C-13-H3C(O)CH3
  614222.7408  0.0851 -5.9957 3  921.2490596  59516140474 272 4    74 273 4      C-13-H3C(O)CH3
  614222.7408  0.0851 -6.1418 3  921.2490596  59516140474 272 4    74 173 4      C-13-H3C(O)CH3
  614226.1874  0.0046 -4.0424 3  195.9155456  595161404281514 0    271215 0      C-13-H3C(O)CH3
  614280.4014  0.1173 -6.3542 3 1120.3395500  595161404624715 3    614813 3      C-13-H3C(O)CH3
  614283.1946  0.0688 -5.9404 3 1012.3055C24  59516140476 472 0    76 373 0      C-13-H3C(O)CH3
  614283.1946  0.0688 -5.9404 3 1012.3055C24  59516140476 572 0    76 473 0      C-13-H3C(O)CH3
  614283.1946  0.0688 -5.4832 3 1012.3055C24  59516140476 572 0    76 373 0      C-13-H3C(O)CH3
  614283.1946  0.0688 -5.4832 3 1012.3055C24  59516140476 472 0    76 473 0      C-13-H3C(O)CH3
  614315.4885  0.0046 -4.6759 3  596.2358840 -595161404521439 0    511338 0      C-13-H3C(O)CH3
  614315.4885  0.0046 -3.6589 3  596.2358840 -595161404521339 0    511338 0      C-13-H3C(O)CH3
  614315.4885  0.0046 -5.1955 3  596.2358840 -595161404521339 0    511438 0      C-13-H3C(O)CH3
  614315.4885  0.0046 -3.6307 3  596.2358840 -595161404521439 0    511438 0      C-13-H3C(O)CH3
  614325.2402  0.1068 -6.3543 3 1120.3018500  595161404624716 4    614814 4      C-13-H3C(O)CH3
  614330.0620  0.0083 -3.8153 3  596.2085840 -595161404521339 1    511338 1      C-13-H3C(O)CH3
  614330.0620  0.0083 -4.0581 3  596.2085840 -595161404521339 1    511438 1      C-13-H3C(O)CH3
  614330.0620  0.0083 -4.0581 3  596.2085840 -595161404521439 1    511338 1      C-13-H3C(O)CH3
  614330.0620  0.0083 -3.8153 3  596.2085840 -595161404521439 1    511438 1      C-13-H3C(O)CH3
  614331.6563  0.0083 -3.6203 3  596.2079840 -595161404521439 2    511438 2      C-13-H3C(O)CH3
  614331.6563  0.0083 -6.1407 3  596.2079840 -595161404521339 2    511438 2      C-13-H3C(O)CH3
  614331.6563  0.0083 -3.6203 3  596.2079840 -595161404521339 2    511338 2      C-13-H3C(O)CH3
  614331.6563  0.0083 -6.1407 3  596.2079840 -595161404521439 2    511338 2      C-13-H3C(O)CH3
  614346.2660  0.0071 -4.2577 3  596.1805420  595161404521439 4    511338 4      C-13-H3C(O)CH3
  614346.2660  0.0071 -4.1870 3  596.1805420  595161404521439 4    511438 4      C-13-H3C(O)CH3
  614346.2660  0.0071 -4.1870 3  596.1805420  595161404521339 4    511338 4      C-13-H3C(O)CH3
  614346.2660  0.0071 -4.2577 3  596.1805420  595161404521339 4    511438 4      C-13-H3C(O)CH3
  614346.2768  0.0071 -3.9234 3  596.1805420  595161404521339 3    511338 3      C-13-H3C(O)CH3
  614346.2768  0.0071 -3.9234 3  596.1805420  595161404521439 3    511438 3      C-13-H3C(O)CH3
  614346.2768  0.0071 -6.0215 3  596.1805420  595161404521439 3    511338 3      C-13-H3C(O)CH3
  614346.2768  0.0071 -6.0215 3  596.1805420  595161404521339 3    511438 3      C-13-H3C(O)CH3
  614364.6597  0.3248 -6.3521 3 1803.5757E80  595161404922073 2    921974 2      C-13-H3C(O)CH3
  614364.6597  0.3248 -6.3521 3 1803.5757E80  595161404921973 2    921874 2      C-13-H3C(O)CH3
  614368.2575  0.2952 -6.3694 3 1803.5513E80  595161404921973 0    921974 0      C-13-H3C(O)CH3
  614368.2575  0.2952 -6.3694 3 1803.5513E80  595161404922073 0    921874 0      C-13-H3C(O)CH3
  614370.5215  0.1256 -6.3542 3 1120.3676500  595161404624715 4    614813 4      C-13-H3C(O)CH3
  614402.1458  0.1282 -6.0699 3  876.6246588  59516140473 272 3    73 173 3      C-13-H3C(O)CH3
  614402.1458  0.1282 -6.0699 3  876.6246588  59516140473 172 3    73 073 3      C-13-H3C(O)CH3
  614403.9418  0.1281 -5.9770 3  876.6246588  59516140473 272 4    73 073 4      C-13-H3C(O)CH3
  614403.9418  0.1281 -5.9770 3  876.6246588  59516140473 172 4    73 173 4      C-13-H3C(O)CH3
  614414.5878  0.1068 -6.3542 3 1120.3299500  595161404624716 3    614814 3      C-13-H3C(O)CH3
  614485.3533  0.0981 -5.7957 3  966.4653C08  59516140475 372 1    75 373 1      C-13-H3C(O)CH3
  614485.3533  0.0981 -5.7646 3  966.4653C08  59516140475 472 1    75 273 1      C-13-H3C(O)CH3
  614485.3533  0.0981 -5.5910 3  966.4653C08  59516140475 372 1    75 273 1      C-13-H3C(O)CH3
  614485.3533  0.0981 -5.6116 3  966.4653C08  59516140475 472 1    75 373 1      C-13-H3C(O)CH3
  614487.7410  0.0952 -5.4120 3  966.4649C08  59516140475 372 2    75 273 2      C-13-H3C(O)CH3
  614487.7410  0.0952 -5.4120 3  966.4649C08  59516140475 472 2    75 373 2      C-13-H3C(O)CH3
  614492.0639  0.0073 -3.4098 3  303.3341252  5951614043130 2 4    3029 2 4      C-13-H3C(O)CH3
  614510.4445  0.0054 -3.1089 3  303.4100504 -5951614043130 2 2    3029 2 2      C-13-H3C(O)CH3
  614571.9842  0.0057 -3.1088 3  303.3967504 -5951614043130 2 1    3029 2 1      C-13-H3C(O)CH3
  614590.9867  0.0052 -3.1089 3  303.4727504 -5951614043130 1 0    3029 1 0      C-13-H3C(O)CH3
  614590.9867  0.0052 -3.1089 3  303.4727504 -5951614043130 2 0    3029 2 0      C-13-H3C(O)CH3
  614612.7954  0.0979 -6.2767 3  873.8487920  595161404573226 2    572929 2      C-13-H3C(O)CH3
  614615.9970  0.0795 -6.2764 3  873.8483920  595161404573226 1    572929 1      C-13-H3C(O)CH3
  614629.8535  0.0038 -4.8250 3  640.8259484  59516140460 456 4    59 555 4      C-13-H3C(O)CH3
  614629.8535  0.0038 -3.8762 3  640.8259484  59516140460 556 4    59 555 4      C-13-H3C(O)CH3
  614629.8901  0.0038 -3.8639 3  640.8258484  59516140460 556 3    59 455 3      C-13-H3C(O)CH3
  614629.8901  0.0038 -4.9528 3  640.8258484  59516140460 456 3    59 455 3      C-13-H3C(O)CH3
  614629.8946  0.0038 -4.8250 3  640.8259484 -59516140460 556 4    59 455 4      C-13-H3C(O)CH3
  614629.8946  0.0038 -3.8762 3  640.8259484 -59516140460 456 4    59 455 4      C-13-H3C(O)CH3
  614629.8946  0.0038 -4.9528 3  640.8258484 -59516140460 556 3    59 555 3      C-13-H3C(O)CH3
  614629.8946  0.0038 -3.8639 3  640.8258484 -59516140460 456 3    59 555 3      C-13-H3C(O)CH3
  614647.6500  0.0759 -6.2769 3  873.8431920  595161404573226 0    572929 0      C-13-H3C(O)CH3
  614656.7257  0.0054 -3.7735 3  640.8405968  59516140460 456 1    59 555 1      C-13-H3C(O)CH3
  614656.7257  0.0054 -3.7735 3  640.8405968  59516140460 556 1    59 455 1      C-13-H3C(O)CH3
  614656.9189  0.0052 -3.7369 3  640.8401968  59516140460 456 2    59 555 2      C-13-H3C(O)CH3
  614656.9189  0.0052 -3.9484 3  640.8401968  59516140460 556 2    59 555 2      C-13-H3C(O)CH3
  614657.0077  0.0054 -3.8947 3  640.8405968 -59516140460 556 1    59 555 1      C-13-H3C(O)CH3
  614657.0077  0.0052 -3.9484 3  640.8401968 -59516140460 456 2    59 455 2      C-13-H3C(O)CH3
  614657.0077  0.0052 -3.7369 3  640.8401968 -59516140460 556 2    59 455 2      C-13-H3C(O)CH3
  614657.0077  0.0054 -3.8947 3  640.8405968 -59516140460 456 1    59 455 1      C-13-H3C(O)CH3
  614683.7197  0.0039 -3.5356 3  640.8547968 -59516140460 556 0    59 455 0      C-13-H3C(O)CH3
  614683.7197  0.0039 -3.5290 3  640.8547968 -59516140460 456 0    59 555 0      C-13-H3C(O)CH3
  614683.7206  0.0039 -5.3432 3  640.8547968  59516140460 556 0    59 555 0      C-13-H3C(O)CH3
  614721.9901  0.0071 -3.4095 3  303.3364252  5951614043130 2 3    3029 2 3      C-13-H3C(O)CH3
  614741.0094  0.0053 -3.1086 3  303.4123504 -5951614043130 1 2    3029 1 2      C-13-H3C(O)CH3
  614742.3679  0.0070 -3.4095 3  303.3601252  5951614043130 1 3    3029 1 3      C-13-H3C(O)CH3
  614822.9275  0.0054 -3.1084 3  303.4227504 -5951614043130 1 1    3029 1 1      C-13-H3C(O)CH3
  614846.9399  0.2269 -6.1954 3  807.5716436  595161404543520 4    533617 4      C-13-H3C(O)CH3
  614879.0570  0.0065 -4.6075 3  150.4892212  59516140426 917 4    25 818 4      C-13-H3C(O)CH3
  614879.0700  0.0065 -4.6075 3  150.4892212  595161404261017 4    25 718 4      C-13-H3C(O)CH3
  614879.2410  0.0050 -4.6075 3  150.4892212  59516140426 917 3    25 818 3      C-13-H3C(O)CH3
  614879.2541  0.0050 -4.6075 3  150.4892212  595161404261017 3    25 718 3      C-13-H3C(O)CH3
  614947.3286  0.1300 -5.3839 3  744.6581840  595161404523319 2    513417 2      C-13-H3C(O)CH3
  614961.2431  0.2985 -6.2842 3 1748.4871E64  595161404911873 0    911874 0      C-13-H3C(O)CH3
  614961.2431  0.2985 -6.2842 3 1748.4871E64  595161404911973 0    911774 0      C-13-H3C(O)CH3
  614966.5369  0.3533 -6.2627 3 1748.5092E64  595161404911973 1    911774 1      C-13-H3C(O)CH3
  614966.5369  0.3533 -6.2627 3 1748.5092E64  595161404911873 1    911874 1      C-13-H3C(O)CH3
  614972.3760  0.0073 -3.4092 3  303.3624252 -5951614043130 1 4    3029 1 4      C-13-H3C(O)CH3
  614980.0794  0.3436 -6.3588 3 1748.5107E64  595161404911973 2    911774 2      C-13-H3C(O)CH3
  614980.0794  0.3436 -6.3588 3 1748.5107E64  595161404911873 2    911874 2      C-13-H3C(O)CH3
  614983.1119  0.0630 -5.4550 3  966.4653C08  59516140475 372 0    75 373 0      C-13-H3C(O)CH3
  614983.1119  0.0630 -6.1663 3  966.4653C08  59516140475 372 0    75 273 0      C-13-H3C(O)CH3
  614983.1119  0.0630 -6.2560 3  966.4653C08  59516140475 472 0    75 373 0      C-13-H3C(O)CH3
  614983.1119  0.0630 -5.4431 3  966.4653C08  59516140475 472 0    75 273 0      C-13-H3C(O)CH3
  614985.2624  0.1200 -5.4942 3  921.2227B92  59516140474 372 2    74 173 2      C-13-H3C(O)CH3
  614985.2624  0.1200 -5.4942 3  921.2227B92  59516140474 272 2    74 273 2      C-13-H3C(O)CH3
  614985.6342  0.1237 -5.6224 3  921.2231B92  59516140474 372 1    74 173 1      C-13-H3C(O)CH3
  614985.6342  0.1237 -5.9635 3  921.2231B92  59516140474 372 1    74 273 1      C-13-H3C(O)CH3
  614985.6342  0.1237 -5.5916 3  921.2231B92  59516140474 272 1    74 273 1      C-13-H3C(O)CH3
  614985.6342  0.1237 -6.0397 3  921.2231B92  59516140474 272 1    74 173 1      C-13-H3C(O)CH3
  615174.3672  0.0047 -4.3059 3  150.4778424  59516140426 917 2    25 818 2      C-13-H3C(O)CH3
  615174.3806  0.0047 -4.3059 3  150.4778424  595161404261017 2    25 718 2      C-13-H3C(O)CH3
  615190.9308  0.0047 -4.3060 3  150.4789424  59516140426 917 1    25 818 1      C-13-H3C(O)CH3
  615190.9434  0.0047 -4.3060 3  150.4789424  595161404261017 1    25 718 1      C-13-H3C(O)CH3
  615213.5817  0.1543 -5.6286 3  714.2785412  595161404513219 4    503317 4      C-13-H3C(O)CH3
  615243.3062  0.0135 -6.1497 3  520.7211728  595161404452124 0    451827 0      C-13-H3C(O)CH3
  615244.0621  0.0135 -6.1497 3  520.7211728  595161404452224 0    451927 0      C-13-H3C(O)CH3
  615253.9384  0.0142 -6.3564 3  114.2585344  5951614042116 6 1    2011 9 1      C-13-H3C(O)CH3
  615282.7859  0.0834 -5.4607 3  744.6456840  595161404523319 1    513417 1      C-13-H3C(O)CH3
  615337.7504  0.0173 -6.1499 3  520.6961728  595161404452124 2    451827 2      C-13-H3C(O)CH3
  615338.5762  0.0173 -6.1499 3  520.6961728  595161404452224 2    451927 2      C-13-H3C(O)CH3
  615357.9381  0.0146 -6.1485 3  520.6975728  595161404452124 1    451827 1      C-13-H3C(O)CH3
  615358.4357  0.0047 -3.6422 3  605.6517856 -595161404531241 0    521340 0      C-13-H3C(O)CH3
  615358.4357  0.0047 -4.7779 3  605.6517856 -595161404531241 0    521240 0      C-13-H3C(O)CH3
  615358.4357  0.0146 -6.1485 3  520.6975728 -595161404452224 1    451927 1      C-13-H3C(O)CH3
  615358.4357  0.0047 -3.6422 3  605.6517856 -595161404531341 0    521240 0      C-13-H3C(O)CH3
  615358.4357  0.0047 -4.7779 3  605.6517856 -595161404531341 0    521340 0      C-13-H3C(O)CH3
  615369.4936  0.0088 -3.6296 3  605.6234856  595161404531241 1    521240 1      C-13-H3C(O)CH3
  615369.4936  0.0088 -3.7969 3  605.6234856  595161404531341 1    521340 1      C-13-H3C(O)CH3
  615369.4936  0.0088 -4.0704 3  605.6234856  595161404531241 1    521340 1      C-13-H3C(O)CH3
  615369.4936  0.0088 -4.9996 3  605.6234856  595161404531341 1    521240 1      C-13-H3C(O)CH3
  615370.6060  0.0088 -3.6180 3  605.6229856  595161404531341 2    521340 2      C-13-H3C(O)CH3
  615370.6060  0.0088 -5.4384 3  605.6229856  595161404531341 2    521240 2      C-13-H3C(O)CH3
  615370.6060  0.0088 -3.6180 3  605.6229856  595161404531241 2    521240 2      C-13-H3C(O)CH3
  615370.6060  0.0088 -5.4384 3  605.6229856  595161404531241 2    521340 2      C-13-H3C(O)CH3
  615381.6916  0.0069 -5.8771 3  605.5944428  595161404531341 4    521340 4      C-13-H3C(O)CH3
  615381.6916  0.0069 -3.9171 3  605.5944428  595161404531341 4    521240 4      C-13-H3C(O)CH3
  615381.6916  0.0069 -3.9171 3  605.5944428  595161404531241 4    521340 4      C-13-H3C(O)CH3
  615381.6916  0.0069 -5.8771 3  605.5944428  595161404531241 4    521240 4      C-13-H3C(O)CH3
  615381.7105  0.0069 -4.6722 3  605.5944428  595161404531341 3    521340 3      C-13-H3C(O)CH3
  615381.7105  0.0069 -3.9954 3  605.5944428  595161404531341 3    521240 3      C-13-H3C(O)CH3
  615381.7105  0.0069 -3.9954 3  605.5944428  595161404531241 3    521340 3      C-13-H3C(O)CH3
  615381.7105  0.0069 -4.6722 3  605.5944428  595161404531241 3    521240 3      C-13-H3C(O)CH3
  615485.4500  0.0047 -4.3052 3  150.4676424  59516140426 917 0    25 818 0      C-13-H3C(O)CH3
  615485.4631  0.0047 -4.3052 3  150.4676424  595161404261017 0    25 718 0      C-13-H3C(O)CH3
  615492.0575  0.2502 -6.1866 3  876.5614B76  59516140473 172 2    73 173 2      C-13-H3C(O)CH3
  615492.0575  0.2502 -5.8191 3  876.5614B76  59516140473 172 2    73 073 2      C-13-H3C(O)CH3
  615492.0575  0.2502 -5.8191 3  876.5614B76  59516140473 272 2    73 173 2      C-13-H3C(O)CH3
  615492.0575  0.2502 -6.1866 3  876.5614B76  59516140473 272 2    73 073 2      C-13-H3C(O)CH3
  615498.3687  0.2497 -6.3415 3  876.5616B76  59516140473 172 1    73 173 1      C-13-H3C(O)CH3
  615498.3687  0.2497 -6.3415 3  876.5616B76  59516140473 272 1    73 073 1      C-13-H3C(O)CH3
  615498.3687  0.2497 -5.7667 3  876.5616B76  59516140473 272 1    73 173 1      C-13-H3C(O)CH3
  615498.3687  0.2497 -5.7667 3  876.5616B76  59516140473 172 1    73 073 1      C-13-H3C(O)CH3
  615505.4931  0.1120 -5.5156 3  775.7933428  595161404533419 4    523517 4      C-13-H3C(O)CH3
  615535.5048  0.2963 -6.2400 3 1693.9950E48  595161404901873 0    901774 0      C-13-H3C(O)CH3
  615535.5048  0.2963 -6.2400 3 1693.9950E48  595161404901773 0    901674 0      C-13-H3C(O)CH3
  615567.0022  0.3595 -6.2532 3 1694.0158E48  595161404901773 1    901774 1      C-13-H3C(O)CH3
  615567.0022  0.3595 -6.2532 3 1694.0158E48  595161404901873 1    901674 1      C-13-H3C(O)CH3
  615570.1869  0.1031 -5.3143 3  744.6409420  595161404523319 3    513418 3      C-13-H3C(O)CH3
  615579.0730  0.3524 -6.3427 3 1694.0167E48  595161404901773 2    901674 2      C-13-H3C(O)CH3
  615579.0730  0.3524 -6.3427 3 1694.0167E48  595161404901873 2    901774 2      C-13-H3C(O)CH3
  615746.9082  0.0923 -5.9962 3  921.1968B92  59516140474 272 0    74 173 0      C-13-H3C(O)CH3
  615746.9082  0.0923 -5.6062 3  921.1968B92  59516140474 272 0    74 273 0      C-13-H3C(O)CH3
  615746.9082  0.0923 -5.9962 3  921.1968B92  59516140474 372 0    74 273 0      C-13-H3C(O)CH3
  615746.9082  0.0923 -5.6062 3  921.1968B92  59516140474 372 0    74 173 0      C-13-H3C(O)CH3
  615775.7323  0.0035 -3.9736 3  645.3351492  59516140461 458 4    60 357 4      C-13-H3C(O)CH3
  615775.7323  0.0035 -4.3472 3  645.3351492  59516140461 358 4    60 357 4      C-13-H3C(O)CH3
  615775.7500  0.0035 -4.4120 3  645.3351492  59516140461 358 3    60 357 3      C-13-H3C(O)CH3
  615775.7500  0.0035 -3.9489 3  645.3351492  59516140461 458 3    60 357 3      C-13-H3C(O)CH3
  615775.7644  0.0035 -3.9489 3  645.3351492 -59516140461 358 3    60 457 3      C-13-H3C(O)CH3
  615775.7644  0.0035 -3.9736 3  645.3351492 -59516140461 358 4    60 457 4      C-13-H3C(O)CH3
  615775.7644  0.0035 -4.4120 3  645.3351492 -59516140461 458 3    60 457 3      C-13-H3C(O)CH3
  615775.7644  0.0035 -4.3472 3  645.3351492 -59516140461 458 4    60 457 4      C-13-H3C(O)CH3
  615803.8729  0.0053 -3.5327 3  645.3391984  59516140461 458 1    60 457 1      C-13-H3C(O)CH3
  615803.8729  0.0053 -3.5327 3  645.3391984  59516140461 358 1    60 357 1      C-13-H3C(O)CH3
  615803.9483  0.0052 -4.1951 3  645.3387984  59516140461 458 2    60 457 2      C-13-H3C(O)CH3
  615803.9483  0.0052 -3.6223 3  645.3387984  59516140461 358 2    60 457 2      C-13-H3C(O)CH3
  615803.9573  0.0053 -5.0365 3  645.3391984 -59516140461 358 1    60 457 1      C-13-H3C(O)CH3
  615803.9573  0.0052 -3.6223 3  645.3387984 -59516140461 458 2    60 357 2      C-13-H3C(O)CH3
  615803.9573  0.0052 -4.1951 3  645.3387984 -59516140461 358 2    60 357 2      C-13-H3C(O)CH3
  615803.9573  0.0053 -5.0365 3  645.3391984 -59516140461 458 1    60 357 1      C-13-H3C(O)CH3
  615816.6536  0.1626 -5.6312 3  807.5292872  595161404543520 2    533617 2      C-13-H3C(O)CH3
  615832.0262  0.0040 -3.5388 3  645.3427984  59516140461 458 0    60 457 0      C-13-H3C(O)CH3
  615832.0262  0.0040 -4.8770 3  645.3427984  59516140461 358 0    60 457 0      C-13-H3C(O)CH3
  615832.0323  0.0040 -4.8770 3  645.3427984 -59516140461 458 0    60 357 0      C-13-H3C(O)CH3
  615832.0323  0.0040 -3.5388 3  645.3427984 -59516140461 358 0    60 357 0      C-13-H3C(O)CH3
  615880.0797  0.0138 -6.3616 3  114.2503344  5951614042116 6 2    2011 9 2      C-13-H3C(O)CH3
  616014.0633  0.1217 -5.3289 3  739.3679420  595161404523221 4    513318 4      C-13-H3C(O)CH3
  616031.7058  0.0057 -3.5838 3  331.9584568  595161404352313 1    342212 1      C-13-H3C(O)CH3
  616050.8833  0.1136 -5.3156 3  775.7535856  595161404533419 2    523517 2      C-13-H3C(O)CH3
  616090.5064  0.0082 -3.8885 3  331.9358284  595161404352313 3    342212 3      C-13-H3C(O)CH3
  616092.3956  0.2870 -6.1454 3 1640.0759E32  595161404891773 0    891674 0      C-13-H3C(O)CH3
  616092.3956  0.2870 -6.1454 3 1640.0759E32  595161404891673 0    891574 0      C-13-H3C(O)CH3
  616100.0146  0.1412 -5.5385 3  714.2487824  595161404513219 2    503317 2      C-13-H3C(O)CH3
  616101.1358  0.0841 -5.6456 3  991.7894952  595161404594217 2    584315 2      C-13-H3C(O)CH3
  616106.5462  0.0061 -3.8869 3  331.9353284  595161404352313 4    342212 4      C-13-H3C(O)CH3
  616107.6912  0.1222 -6.0946 3  775.7615428  595161404533419 3    523517 3      C-13-H3C(O)CH3
  616124.2642  0.0912 -5.6456 3  991.7391952  595161404594218 0    584315 0      C-13-H3C(O)CH3
  616124.9530  0.0912 -5.6456 3  991.7391952  595161404594217 0    584316 0      C-13-H3C(O)CH3
  616125.1257  0.0051 -3.5830 3  331.9776568 -595161404352313 0    342212 0      C-13-H3C(O)CH3
  616126.4816  0.1150 -5.5647 3  807.5170872  595161404543520 1    533617 1      C-13-H3C(O)CH3
  616152.1706  0.3536 -6.3480 3 1640.0942E32  595161404891673 1    891574 1      C-13-H3C(O)CH3
  616152.1706  0.3536 -6.3480 3 1640.0942E32  595161404891773 1    891674 1      C-13-H3C(O)CH3
  616162.3021  0.3492 -6.0968 3 1640.0947E32  595161404891673 2    891574 2      C-13-H3C(O)CH3
  616162.3021  0.3492 -6.0968 3 1640.0947E32  595161404891773 2    891674 2      C-13-H3C(O)CH3
  616190.6443  0.0847 -5.9466 3  991.8292476  595161404594217 4    584315 4      C-13-H3C(O)CH3
  616192.7153  0.0047 -3.4837 3  306.6617260  5951614043228 5 4    3127 4 4      C-13-H3C(O)CH3
  616193.1384  0.0057 -3.5860 3  331.9550568  595161404352313 2    342212 2      C-13-H3C(O)CH3
  616213.4211  0.0934 -5.6456 3  991.7789952  595161404594217 1    584315 1      C-13-H3C(O)CH3
  616243.9328  0.1283 -5.5910 3  807.5426436  595161404543520 3    533617 3      C-13-H3C(O)CH3
  616256.6770  0.0038 -3.1825 3  306.7187520 -5951614043228 4 2    3127 4 2      C-13-H3C(O)CH3
  616262.5588  0.0039 -3.1825 3  306.6998520 -5951614043228 5 1    3127 5 1      C-13-H3C(O)CH3
  616320.6762  0.0870 -5.3611 3  775.7409856  595161404533419 1    523517 1      C-13-H3C(O)CH3
  616327.1796  0.0037 -3.1824 3  306.7567520 -5951614043228 5 0    3127 4 0      C-13-H3C(O)CH3
  616327.1796  0.0037 -3.1824 3  306.7567520 -5951614043228 4 0    3127 5 0      C-13-H3C(O)CH3
  616353.4924  0.0805 -5.9466 3  991.8189476  595161404594218 3    584315 3      C-13-H3C(O)CH3
  616363.7989  0.0047 -3.4834 3  306.6542260  5951614043228 5 3    3127 5 3      C-13-H3C(O)CH3
  616377.2677  0.0835 -5.6455 3  991.7686952  595161404594218 1    584316 1      C-13-H3C(O)CH3
  616405.2972  0.0787 -5.6456 3  991.7751952  595161404594218 2    584316 2      C-13-H3C(O)CH3
  616420.8708  0.0047 -3.4833 3  306.6670260  5951614043228 4 3    3127 4 3      C-13-H3C(O)CH3
  616423.6722  0.0047 -3.6727 3  614.5182872  595161404541243 0    531242 0      C-13-H3C(O)CH3
  616423.6722  0.0047 -4.4409 3  614.5182872  595161404541243 0    531142 0      C-13-H3C(O)CH3
  616423.6722  0.0047 -3.6727 3  614.5182872  595161404541143 0    531142 0      C-13-H3C(O)CH3
  616423.6722  0.0047 -4.4409 3  614.5182872  595161404541143 0    531242 0      C-13-H3C(O)CH3
  616427.7279  0.0038 -3.1823 3  306.7111520 -5951614043228 5 2    3127 5 2      C-13-H3C(O)CH3
  616430.6443  0.0093 -3.7303 3  614.4889872  595161404541243 1    531142 1      C-13-H3C(O)CH3
  616430.6443  0.0093 -4.2027 3  614.4889872  595161404541243 1    531242 1      C-13-H3C(O)CH3
  616430.6443  0.0093 -4.2027 3  614.4889872  595161404541143 1    531142 1      C-13-H3C(O)CH3
  616430.6443  0.0093 -3.7303 3  614.4889872  595161404541143 1    531242 1      C-13-H3C(O)CH3
  616431.5605  0.0092 -3.6224 3  614.4884872  595161404541243 2    531242 2      C-13-H3C(O)CH3
  616431.5605  0.0092 -4.9910 3  614.4884872  595161404541243 2    531142 2      C-13-H3C(O)CH3
  616431.5605  0.0092 -4.9910 3  614.4884872  595161404541143 2    531242 2      C-13-H3C(O)CH3
  616431.5605  0.0092 -3.6224 3  614.4884872  595161404541143 2    531142 2      C-13-H3C(O)CH3
  616438.5250  0.0067 -3.9836 3  614.4590436  595161404541243 4    531242 4      C-13-H3C(O)CH3
  616438.5250  0.0067 -4.6874 3  614.4590436  595161404541143 4    531242 4      C-13-H3C(O)CH3
  616438.5250  0.0067 -3.9836 3  614.4590436  595161404541143 4    531142 4      C-13-H3C(O)CH3
  616438.5250  0.0067 -4.6874 3  614.4590436  595161404541243 4    531142 4      C-13-H3C(O)CH3
  616438.5524  0.0067 -5.2595 3  614.4590436  595161404541143 3    531242 3      C-13-H3C(O)CH3
  616438.5524  0.0067 -3.9248 3  614.4590436  595161404541143 3    531142 3      C-13-H3C(O)CH3
  616438.5524  0.0067 -4.7905 3  614.4590436  595161404541243 3    531142 3      C-13-H3C(O)CH3
  616438.5524  0.0067 -3.9658 3  614.4590436  595161404541243 3    531242 3      C-13-H3C(O)CH3
  616455.6017  0.0818 -5.1950 3  744.6078840  595161404523319 2    513418 2      C-13-H3C(O)CH3
  616475.5968  0.0966 -5.4368 3  775.7492428  595161404533419 3    523518 3      C-13-H3C(O)CH3
  616485.8052  0.0797 -5.6807 3  714.2376824  595161404513219 1    503317 1      C-13-H3C(O)CH3
  616490.5853  0.0038 -3.1821 3  306.7050520 -5951614043228 4 1    3127 4 1      C-13-H3C(O)CH3
  616491.8395  0.0872 -5.9234 3  807.5343436  595161404543520 3    533618 3      C-13-H3C(O)CH3
  616494.2644  0.0810 -5.9467 3  991.8149476  595161404594217 3    584316 3      C-13-H3C(O)CH3
  616501.5711  0.0728 -5.1516 3  744.6050840  595161404523319 1    513418 1      C-13-H3C(O)CH3
  616522.2448  0.0701 -4.9780 3  744.5974840  595161404523319 0    513418 0      C-13-H3C(O)CH3
  616548.6685  0.0702 -5.2673 3  739.3518420  595161404523221 3    513318 3      C-13-H3C(O)CH3
  616585.6352  0.1747 -5.6722 3  876.4984B76  59516140473 172 0    73 173 0      C-13-H3C(O)CH3
  616585.6352  0.1747 -5.6722 3  876.4984B76  59516140473 272 0    73 073 0      C-13-H3C(O)CH3
  616591.1051  0.0053 -3.4830 3  306.6594260  5951614043228 4 4    3127 5 4      C-13-H3C(O)CH3
  616609.5571  0.0892 -4.9890 3  739.3461840  595161404523221 2    513318 2      C-13-H3C(O)CH3
  616633.6552  0.2702 -6.2534 3 1586.7309E16  595161404881673 0    881574 0      C-13-H3C(O)CH3
  616633.6552  0.2702 -6.3377 3 1586.7309E16  595161404881573 0    881574 0      C-13-H3C(O)CH3
  616633.6552  0.2702 -6.3377 3 1586.7309E16  595161404881673 0    881474 0      C-13-H3C(O)CH3
  616633.6552  0.2702 -6.2534 3 1586.7309E16  595161404881573 0    881474 0      C-13-H3C(O)CH3
  616634.5302  0.0056 -4.3004 3  216.3630236  595161404291713 4    281414 4      C-13-H3C(O)CH3
  616638.2738  0.0050 -4.3005 3  216.3629236  595161404291713 3    281414 3      C-13-H3C(O)CH3
  616658.9483  0.0871 -5.9465 3  991.8046476  595161404594218 4    584316 4      C-13-H3C(O)CH3
  616714.3265  0.0051 -3.9996 3  216.3732472  595161404291713 2    281414 2      C-13-H3C(O)CH3
  616722.6321  0.3351 -6.1640 3 1586.7453E16  595161404881573 1    881574 1      C-13-H3C(O)CH3
  616722.6321  0.3351 -6.0558 3 1586.7453E16  595161404881673 1    881474 1      C-13-H3C(O)CH3
  616727.2413  0.0051 -3.9994 3  216.3782472  595161404291713 1    281414 1      C-13-H3C(O)CH3
  616730.5315  0.3334 -6.0993 3 1586.7455E16  595161404881573 2    881574 2      C-13-H3C(O)CH3
  616730.5315  0.3334 -6.0702 3 1586.7455E16  595161404881673 2    881474 2      C-13-H3C(O)CH3
  616737.3277  0.0878 -5.6110 3  744.6090420  595161404523319 4    513418 4      C-13-H3C(O)CH3
  616748.9685  0.0929 -5.7161 3  913.9422460  595161404573919 4    564017 4      C-13-H3C(O)CH3
  616802.2866  0.0491 -4.9803 3  739.3402840  595161404523221 1    513318 1      C-13-H3C(O)CH3
  616804.0219  0.0053 -3.9996 3  216.3884472  595161404291713 0    281414 0      C-13-H3C(O)CH3
  616812.1335  0.0740 -5.1241 3  807.4764872  595161404543520 0    533617 0      C-13-H3C(O)CH3
  616819.6631  0.1814 -6.3684 3 1586.7600708  595161404881673 3    881474 3      C-13-H3C(O)CH3
  616819.6631  0.1814 -6.3684 3 1586.7600708  595161404881573 3    881574 3      C-13-H3C(O)CH3
  616832.1876  0.1015 -5.5054 3  807.5053436  595161404543520 4    533618 4      C-13-H3C(O)CH3
  616833.5292  0.0935 -5.4154 3  913.9088920  595161404573919 2    564017 2      C-13-H3C(O)CH3
  616924.1705  0.0821 -5.2856 3  807.4923872  595161404543520 2    533618 2      C-13-H3C(O)CH3
  616931.7097  0.0037 -3.8112 3  649.3119500  59516140462 260 3    61 259 3      C-13-H3C(O)CH3
  616931.7137  0.0037 -4.1082 3  649.3119500  59516140462 360 4    61 359 4      C-13-H3C(O)CH3
  616931.7137  0.0037 -4.1147 3  649.3119500  59516140462 260 4    61 359 4      C-13-H3C(O)CH3
  616931.7490  0.0037 -4.1147 3  649.3119500 -59516140462 360 4    61 259 4      C-13-H3C(O)CH3
  616931.7490  0.0037 -4.1082 3  649.3119500 -59516140462 260 4    61 259 4      C-13-H3C(O)CH3
  616931.7490  0.0037 -3.8112 3  649.3119500 -59516140462 360 3    61 359 3      C-13-H3C(O)CH3
  616957.7273  0.0058 -3.6402 3  649.3004A00 -59516140462 360 1    61 359 1      C-13-H3C(O)CH3
  616957.7273  0.0058 -3.6402 3  649.3004A00 -59516140462 260 1    61 259 1      C-13-H3C(O)CH3
  616957.7273  0.0057 -3.5225 3  649.3000A00 -59516140462 360 2    61 359 2      C-13-H3C(O)CH3
  616957.7273  0.0057 -5.0355 3  649.3000A00 -59516140462 360 2    61 259 2      C-13-H3C(O)CH3
  616957.7273  0.0057 -5.0355 3  649.3000A00 -59516140462 260 2    61 359 2      C-13-H3C(O)CH3
  616957.7273  0.0057 -3.5225 3  649.3000A00 -59516140462 260 2    61 259 2      C-13-H3C(O)CH3
  616957.7273  0.0058 -4.0942 3  649.3004A00 -59516140462 260 1    61 359 1      C-13-H3C(O)CH3
  616957.7273  0.0058 -4.0942 3  649.3004A00 -59516140462 360 1    61 259 1      C-13-H3C(O)CH3
  616977.9752  0.0998 -5.4156 3  913.8996920  595161404573919 1    564017 1      C-13-H3C(O)CH3
  616983.6522  0.0041 -3.5337 3  649.2886A00 -59516140462 360 0    61 259 0      C-13-H3C(O)CH3
  616983.6522  0.0041 -4.7724 3  649.2886A00 -59516140462 260 0    61 259 0      C-13-H3C(O)CH3
  616983.6931  0.0041 -4.7724 3  649.2886A00  59516140462 360 0    61 359 0      C-13-H3C(O)CH3
  616983.6931  0.0041 -3.5337 3  649.2886A00  59516140462 260 0    61 359 0      C-13-H3C(O)CH3
  617015.1246  0.0740 -5.3195 3  807.4873872  595161404543520 1    533618 1      C-13-H3C(O)CH3
  617030.0822  0.0856 -5.7278 3  913.9490460  595161404573919 3    564017 3      C-13-H3C(O)CH3
  617045.8845  0.0998 -5.4149 3  913.8663920  595161404573919 0    564016 0      C-13-H3C(O)CH3
  617050.8703  0.0088 -4.9143 3  124.7183204  59516140425 719 4    24 420 4      C-13-H3C(O)CH3
  617050.8703  0.0088 -4.9135 3  124.7183204  59516140425 619 4    24 520 4      C-13-H3C(O)CH3
  617050.8757  0.0070 -4.9265 3  124.7183204  59516140425 719 3    24 420 3      C-13-H3C(O)CH3
  617050.8757  0.0070 -4.9265 3  124.7183204  59516140425 619 3    24 520 3      C-13-H3C(O)CH3
  617084.6122  0.1000 -5.4149 3  913.8663920  595161404573918 0    564017 0      C-13-H3C(O)CH3
  617142.2658  0.0684 -5.7279 3  913.9496460  595161404573918 3    564016 3      C-13-H3C(O)CH3
  617147.5145  0.1175 -5.2163 3  714.2100412  595161404513219 3    503318 3      C-13-H3C(O)CH3
  617149.7051  0.0389 -4.9667 3  739.3260840  595161404523221 0    513318 0      C-13-H3C(O)CH3
  617161.4691  0.2463 -6.2747 3 1533.9606E00  595161404871573 0    871474 0      C-13-H3C(O)CH3
  617161.4691  0.2463 -6.1559 3 1533.9606E00  595161404871573 0    871374 0      C-13-H3C(O)CH3
  617161.4691  0.2463 -6.2747 3 1533.9606E00  595161404871473 0    871374 0      C-13-H3C(O)CH3
  617161.4691  0.2463 -6.1559 3 1533.9606E00  595161404871473 0    871474 0      C-13-H3C(O)CH3
  617192.6451  0.0731 -5.0493 3  775.6961856  595161404533419 0    523518 0      C-13-H3C(O)CH3
  617226.4682  0.0825 -5.4152 3  913.9163920  595161404573918 2    564016 2      C-13-H3C(O)CH3
  617264.6474  0.0984 -5.4154 3  913.9065920  595161404573918 1    564016 1      C-13-H3C(O)CH3
  617277.7245  0.0114 -6.0917 3  114.2354344  5951614042116 6 0    2011 9 0      C-13-H3C(O)CH3
  617279.0739  0.3047 -6.0095 3 1533.9701E00  595161404871573 1    871474 1      C-13-H3C(O)CH3
  617279.0739  0.3047 -6.0095 3 1533.9701E00  595161404871473 1    871374 1      C-13-H3C(O)CH3
  617284.6397  0.3053 -5.9130 3 1533.9701E00  595161404871573 2    871474 2      C-13-H3C(O)CH3
  617284.6397  0.3053 -5.9130 3 1533.9701E00  595161404871473 2    871374 2      C-13-H3C(O)CH3
  617340.2448  0.0804 -5.3886 3  775.7105856  595161404533419 2    523518 2      C-13-H3C(O)CH3
  617348.3722  0.0825 -5.3401 3  775.7066856  595161404533419 1    523518 1      C-13-H3C(O)CH3
  617368.4391  0.0305 -4.3321 3  318.8187276  595161404342411 3    332310 3      C-13-H3C(O)CH3
  617402.4190  0.1686 -6.2530 3 1533.9797700  595161404871573 3    871474 3      C-13-H3C(O)CH3
  617402.4190  0.1686 -6.2530 3 1533.9797700  595161404871473 3    871374 3      C-13-H3C(O)CH3
  617402.6399  0.1687 -6.2994 3 1533.9797700  595161404871473 4    871474 4      C-13-H3C(O)CH3
  617402.6399  0.1687 -6.2994 3 1533.9797700  595161404871573 4    871374 4      C-13-H3C(O)CH3
  617425.3714  0.0778 -5.7157 3  913.9565460  595161404573918 4    564016 4      C-13-H3C(O)CH3
  617463.6661  0.0132 -5.8203 3  134.8121180  5951614042219 3 3    2116 5 3      C-13-H3C(O)CH3
  617482.5644  0.0093 -3.9868 3  233.6080488  595161404301713 2    291614 2      C-13-H3C(O)CH3
  617486.6013  0.0073 -4.6115 3  124.6874408  59516140425 719 2    24 420 2      C-13-H3C(O)CH3
  617486.6013  0.0073 -4.6112 3  124.6874408  59516140425 619 2    24 520 2      C-13-H3C(O)CH3
  617495.3292  0.0075 -4.6120 3  124.6880408  59516140425 719 1    24 420 1      C-13-H3C(O)CH3
  617495.3292  0.0075 -4.6120 3  124.6880408  59516140425 619 1    24 520 1      C-13-H3C(O)CH3
  617506.8787  0.0048 -3.6060 3  622.8378888  595161404551045 0    541044 0      C-13-H3C(O)CH3
  617506.8787  0.0048 -3.6060 3  622.8378888  595161404551145 0    541144 0      C-13-H3C(O)CH3
  617506.8787  0.0048 -5.2907 3  622.8378888  595161404551045 0    541144 0      C-13-H3C(O)CH3
  617506.8787  0.0048 -5.2907 3  622.8378888  595161404551145 0    541044 0      C-13-H3C(O)CH3
  617509.3078  0.0096 -3.7560 3  622.8078888  595161404551145 1    541144 1      C-13-H3C(O)CH3
  617509.3078  0.0096 -3.7560 3  622.8078888  595161404551045 1    541044 1      C-13-H3C(O)CH3
  617509.3078  0.0096 -4.1107 3  622.8078888  595161404551045 1    541144 1      C-13-H3C(O)CH3
  617509.3078  0.0096 -4.1107 3  622.8078888  595161404551145 1    541044 1      C-13-H3C(O)CH3
  617510.0740  0.0096 -4.1036 3  622.8074888  595161404551145 2    541044 2      C-13-H3C(O)CH3
  617510.0740  0.0096 -3.7592 3  622.8074888  595161404551045 2    541044 2      C-13-H3C(O)CH3
  617510.0740  0.0096 -3.8600 3  622.8074888  595161404551145 2    541144 2      C-13-H3C(O)CH3
  617510.0740  0.0096 -3.9399 3  622.8074888  595161404551045 2    541144 2      C-13-H3C(O)CH3
  617512.4818  0.0064 -3.9819 3  622.7772444  595161404551145 4    541144 4      C-13-H3C(O)CH3
  617512.4818  0.0064 -3.9819 3  622.7772444  595161404551045 4    541044 4      C-13-H3C(O)CH3
  617512.4818  0.0064 -4.6537 3  622.7772444  595161404551045 4    541144 4      C-13-H3C(O)CH3
  617512.4818  0.0064 -4.6537 3  622.7772444  595161404551145 4    541044 4      C-13-H3C(O)CH3
  617512.5176  0.0064 -4.7717 3  622.7773444  595161404551145 3    541144 3      C-13-H3C(O)CH3
  617512.5176  0.0064 -3.9401 3  622.7773444  595161404551045 3    541144 3      C-13-H3C(O)CH3
  617512.5176  0.0064 -4.9329 3  622.7773444  595161404551045 3    541044 3      C-13-H3C(O)CH3
  617512.5176  0.0064 -3.9604 3  622.7773444  595161404551145 3    541044 3      C-13-H3C(O)CH3
  617531.1524  0.0208 -3.7381 3  318.8436552  595161404342411 2    332310 2      C-13-H3C(O)CH3
  617535.8586  0.0123 -3.5904 3  318.8357552  595161404342411 1    332310 1      C-13-H3C(O)CH3
  617547.4187  0.0046 -3.5795 3  311.7229268  5951614043326 7 4    3225 7 4      C-13-H3C(O)CH3
  617566.1673  0.0160 -5.8163 3  134.8659180  5951614042219 3 4    2116 5 4      C-13-H3C(O)CH3
  617580.7132  0.0114 -3.7773 3  318.8149276  595161404342411 4    332310 4      C-13-H3C(O)CH3
  617592.2208  0.0039 -3.2783 3  311.7469536 -5951614043326 7 1    3225 7 1      C-13-H3C(O)CH3
  617597.8437  0.0125 -4.2878 3  233.5951244  595161404301713 3    291614 3      C-13-H3C(O)CH3
  617608.0089  0.0078 -3.9869 3  233.6262488  595161404301713 0    291614 0      C-13-H3C(O)CH3
  617609.3614  0.0116 -4.2878 3  233.5951244  595161404301713 4    291614 4      C-13-H3C(O)CH3
  617619.8359  0.0035 -3.4197 3  318.8619552 -595161404342411 0    332310 0      C-13-H3C(O)CH3
  617635.0067  0.0039 -3.2782 3  311.7610536 -5951614043326 7 2    3225 7 2      C-13-H3C(O)CH3
  617664.6660  0.0136 -5.8079 3  134.7478180  5951614042219 4 4    2116 6 4      C-13-H3C(O)CH3
  617675.0820  0.0416 -6.0602 3  311.7185268  5951614043326 8 3    3225 7 3      C-13-H3C(O)CH3
  617676.7384  0.0043 -3.5808 3  311.7185268  5951614043326 7 3    3225 7 3      C-13-H3C(O)CH3
  617678.5300  0.2163 -5.8415 3 1481.7658D84  595161404861473 0    861274 0      C-13-H3C(O)CH3
  617678.5300  0.2163 -5.9256 3 1481.7658D84  595161404861473 0    861374 0      C-13-H3C(O)CH3
  617679.4191  0.0034 -3.2779 3  311.7847536 -5951614043326 8 0    3225 7 0      C-13-H3C(O)CH3
  617679.4191  0.0034 -3.2779 3  311.7847536 -5951614043326 7 0    3225 8 0      C-13-H3C(O)CH3
  617689.1364  0.0094 -3.6851 3  349.5946584  595161404362314 1    352213 1      C-13-H3C(O)CH3
  617725.3294  0.0097 -3.9869 3  233.6132488  595161404301713 1    291614 1      C-13-H3C(O)CH3
  617734.9005  0.0037 -3.9088 3  318.8357552 -595161404342410 1    332310 1      C-13-H3C(O)CH3
  617742.2414  0.0041 -3.5805 3  311.7163268  5951614043326 8 3    3225 8 3      C-13-H3C(O)CH3
  617743.8978  0.0418 -6.0599 3  311.7163268  5951614043326 7 3    3225 8 3      C-13-H3C(O)CH3
  617763.0737  0.0136 -5.8213 3  134.8016180  5951614042219 4 3    2116 6 3      C-13-H3C(O)CH3
  617763.1899  0.0035 -3.2782 3  311.7566536 -5951614043326 8 2    3225 8 2      C-13-H3C(O)CH3
  617777.5717  0.1021 -5.8517 3  775.7175428  595161404533419 4    523518 4      C-13-H3C(O)CH3
  617786.0449  0.0034 -3.2780 3  311.7402536 -5951614043326 8 1    3225 8 1      C-13-H3C(O)CH3
  617807.2125  0.0083 -3.6844 3  349.6116584 -595161404362314 0    352213 0      C-13-H3C(O)CH3
  617814.9963  0.0808 -5.8838 3 1073.4578984  595161404614517 0    604614 0      C-13-H3C(O)CH3
  617815.0050  0.0808 -5.8838 3 1073.4578984  595161404614516 0    604615 0      C-13-H3C(O)CH3
  617822.3012  0.2641 -6.0094 3 1481.7694D84  595161404861473 1    861374 1      C-13-H3C(O)CH3
  617822.3012  0.2641 -6.0094 3 1481.7694D84  595161404861373 1    861274 1      C-13-H3C(O)CH3
  617822.3012  0.2641 -6.3040 3 1481.7694D84  595161404861373 1    861374 1      C-13-H3C(O)CH3
  617822.3012  0.2641 -6.3040 3 1481.7694D84  595161404861473 1    861274 1      C-13-H3C(O)CH3
  617825.6287  0.2663 -6.0308 3 1481.7693D84  595161404861473 2    861274 2      C-13-H3C(O)CH3
  617825.6287  0.2663 -6.2648 3 1481.7693D84  595161404861473 2    861374 2      C-13-H3C(O)CH3
  617825.6287  0.2663 -6.0308 3 1481.7693D84  595161404861373 2    861374 2      C-13-H3C(O)CH3
  617825.6287  0.2663 -6.2648 3 1481.7693D84  595161404861373 2    861274 2      C-13-H3C(O)CH3
  617830.1838  0.0058 -3.8431 3  318.8187276  595161404342410 3    332310 3      C-13-H3C(O)CH3
  617842.5551  0.0190 -4.6361 3  318.8149276  595161404342410 4    332310 4      C-13-H3C(O)CH3
  617847.5270  0.0133 -3.9856 3  349.5675292  595161404362314 3    352213 3      C-13-H3C(O)CH3
  617853.0177  0.0108 -3.9858 3  349.5670292  595161404362314 4    352213 4      C-13-H3C(O)CH3
  617870.8376  0.0042 -3.5791 3  311.7119268  5951614043326 8 4    3225 8 4      C-13-H3C(O)CH3
  617890.3309  0.0082 -3.7039 3  318.8436552 -595161404342410 2    332310 2      C-13-H3C(O)CH3
  617930.1099  0.0070 -4.6105 3  124.6572408  59516140425 619 0    24 520 0      C-13-H3C(O)CH3
  617930.1099  0.0070 -4.6105 3  124.6572408  59516140425 719 0    24 420 0      C-13-H3C(O)CH3
  617951.4036  0.0875 -5.8838 3 1073.5066984  595161404614516 2    604614 2      C-13-H3C(O)CH3
  617957.2941  0.0075 -3.7033 3  318.8294552 -595161404342411 2    332311 2      C-13-H3C(O)CH3
  617964.3797  0.0174 -4.6347 3  318.8021276  595161404342411 4    332311 4      C-13-H3C(O)CH3
  617969.5862  0.1541 -6.3254 3 1481.7729692  595161404861473 3    861274 3      C-13-H3C(O)CH3
  617969.5862  0.1541 -6.3254 3 1481.7729692  595161404861373 3    861374 3      C-13-H3C(O)CH3
  617969.8320  0.1542 -6.2025 3 1481.7729692  595161404861473 4    861274 4      C-13-H3C(O)CH3
  617969.8320  0.1542 -6.2025 3 1481.7729692  595161404861373 4    861374 4      C-13-H3C(O)CH3
  617971.4650  0.0099 -3.6841 3  349.5843584  595161404362314 2    352213 2      C-13-H3C(O)CH3
  617975.6708  0.0056 -3.8425 3  318.7984276  595161404342411 3    332311 3      C-13-H3C(O)CH3
  617978.8764  0.0116 -5.5735 3   98.3037196  59516140424 421 3    23 122 3      C-13-H3C(O)CH3
  617978.8764  0.0116 -5.5674 3   98.3037196  59516140424 321 3    23 222 3      C-13-H3C(O)CH3
  617979.3863  0.0135 -5.5428 3   98.3037196  59516140424 421 4    23 122 4      C-13-H3C(O)CH3
  617979.3863  0.0135 -5.5428 3   98.3037196  59516140424 321 4    23 222 4      C-13-H3C(O)CH3
  617999.4322  0.0034 -3.9086 3  318.8202552 -595161404342411 1    332311 1      C-13-H3C(O)CH3
  618010.4360  0.0841 -5.8837 3 1073.4968984  595161404614516 1    604614 1      C-13-H3C(O)CH3
  618013.2683  0.0944 -5.0174 3  714.1849824  595161404513219 2    503318 2      C-13-H3C(O)CH3
  618027.1060  0.0802 -5.8837 3 1073.4732984  595161404614517 1    604615 1      C-13-H3C(O)CH3
  618098.9277  0.0046 -4.8301 3  652.7581508  59516140463 162 3    62 161 3      C-13-H3C(O)CH3
  618098.9277  0.0046 -4.8301 3  652.7581508  59516140463 262 3    62 261 3      C-13-H3C(O)CH3
  618098.9433  0.0046 -3.8096 3  652.7581508  59516140463 162 4    62 261 4      C-13-H3C(O)CH3
  618098.9433  0.0046 -5.4546 3  652.7581508  59516140463 262 4    62 261 4      C-13-H3C(O)CH3
  618098.9665  0.0046 -3.8424 3  652.7581508 -59516140463 162 3    62 261 3      C-13-H3C(O)CH3
  618098.9665  0.0046 -3.8424 3  652.7581508 -59516140463 262 3    62 161 3      C-13-H3C(O)CH3
  618098.9665  0.0046 -3.8096 3  652.7581508 -59516140463 262 4    62 161 4      C-13-H3C(O)CH3
  618098.9665  0.0046 -5.4546 3  652.7581508 -59516140463 162 4    62 161 4      C-13-H3C(O)CH3
  618112.8207  0.0903 -5.4098 3  714.1818412  595161404513219 4    503318 4      C-13-H3C(O)CH3
  618114.1026  0.0043 -3.7401 3  520.6254728  595161404452124 0    442223 0      C-13-H3C(O)CH3
  618117.2567  0.0794 -5.8839 3 1073.4756984  595161404614517 2    604615 2      C-13-H3C(O)CH3
  618117.5737  0.0062 -3.7504 3  652.7243A16  59516140463 162 2    62 261 2      C-13-H3C(O)CH3
  618117.5737  0.0062 -3.8556 3  652.7243A16  59516140463 262 2    62 261 2      C-13-H3C(O)CH3
  618117.5847  0.0062 -3.8556 3  652.7243A16 -59516140463 162 2    62 161 2      C-13-H3C(O)CH3
  618117.5847  0.0064 -5.0590 3  652.7247A16 -59516140463 162 1    62 161 1      C-13-H3C(O)CH3
  618117.5847  0.0064 -5.0590 3  652.7247A16 -59516140463 262 1    62 261 1      C-13-H3C(O)CH3
  618117.5847  0.0062 -3.7504 3  652.7243A16 -59516140463 262 2    62 161 2      C-13-H3C(O)CH3
  618117.6059  0.0064 -3.5109 3  652.7247A16  59516140463 262 1    62 161 1      C-13-H3C(O)CH3
  618117.6059  0.0064 -3.5109 3  652.7247A16  59516140463 162 1    62 261 1      C-13-H3C(O)CH3
  618117.9502  0.0043 -3.7401 3  520.6253728  595161404452224 0    442123 0      C-13-H3C(O)CH3
  618118.7047  0.0123 -5.5145 3  134.8450360  5951614042219 3 1    2116 5 1      C-13-H3C(O)CH3
  618128.0210  0.0685 -4.9822 3  714.1828824  595161404513219 1    503318 1      C-13-H3C(O)CH3
  618136.1738  0.0046 -3.5185 3  652.6909A16 -59516140463 262 0    62 161 0      C-13-H3C(O)CH3
  618136.1738  0.0046 -3.5185 3  652.6909A16 -59516140463 162 0    62 261 0      C-13-H3C(O)CH3
  618136.1991  0.0046 -4.8499 3  652.6909A16  59516140463 262 0    62 261 0      C-13-H3C(O)CH3
  618136.1991  0.0046 -4.8499 3  652.6909A16  59516140463 162 0    62 161 0      C-13-H3C(O)CH3
  618142.1691  0.0055 -3.7401 3  520.6047728  595161404452124 1    442223 1      C-13-H3C(O)CH3
  618146.2120  0.0055 -3.7401 3  520.6045728  595161404452224 1    442123 1      C-13-H3C(O)CH3
  618147.3693  0.1047 -6.1848 3 1073.5456492  595161404614516 4    604614 4      C-13-H3C(O)CH3
  618153.4816  0.0059 -3.7401 3  520.6022728  595161404452124 2    442223 2      C-13-H3C(O)CH3
  618155.4094  0.0035 -3.4191 3  318.8495552 -595161404342410 0    332311 0      C-13-H3C(O)CH3
  618157.6429  0.0059 -3.7401 3  520.6020728  595161404452224 2    442123 2      C-13-H3C(O)CH3
  618163.6417  0.1026 -6.1848 3 1073.5220492  595161404614516 3    604614 3      C-13-H3C(O)CH3
  618173.9919  0.0045 -3.7152 3  534.7494744  595161404462026 0    452125 0      C-13-H3C(O)CH3
  618174.0614  0.0045 -3.7152 3  534.7494744  595161404462126 0    452025 0      C-13-H3C(O)CH3
  618181.5660  0.0065 -4.0411 3  520.5814364  595161404452124 3    442223 3      C-13-H3C(O)CH3
  618181.5821  0.0065 -4.0411 3  520.5814364  595161404452124 4    442223 4      C-13-H3C(O)CH3
  618185.9383  0.0065 -4.0411 3  520.5812364  595161404452224 4    442123 4      C-13-H3C(O)CH3
  618185.9404  0.0065 -4.0411 3  520.5813364  595161404452224 3    442123 3      C-13-H3C(O)CH3
  618188.1005  0.1820 -5.7759 3 1430.1470D68  595161404851373 0    851274 0      C-13-H3C(O)CH3
  618188.1005  0.1820 -5.7759 3 1430.1470D68  595161404851273 0    851174 0      C-13-H3C(O)CH3
  618198.5136  0.0113 -3.5897 3  318.8202552  595161404342410 1    332311 1      C-13-H3C(O)CH3
  618203.0367  0.0059 -3.7152 3  534.7284744  595161404462026 1    452125 1      C-13-H3C(O)CH3
  618203.1121  0.0059 -3.7152 3  534.7284744  595161404462126 1    452025 1      C-13-H3C(O)CH3
  618210.8184  0.0062 -3.7152 3  534.7266744  595161404462026 2    452125 2      C-13-H3C(O)CH3
  618210.8961  0.0062 -3.7152 3  534.7266744  595161404462126 2    452025 2      C-13-H3C(O)CH3
  618226.2216  0.0128 -3.7769 3  318.8021276  595161404342410 4    332311 4      C-13-H3C(O)CH3
  618239.9021  0.0069 -4.0162 3  534.7055372  595161404462026 3    452125 3      C-13-H3C(O)CH3
  618239.9231  0.0069 -4.0162 3  534.7055372  595161404462026 4    452125 4      C-13-H3C(O)CH3
  618239.9865  0.0069 -4.0162 3  534.7055372  595161404462126 3    452025 3      C-13-H3C(O)CH3
  618240.0070  0.0069 -4.0162 3  534.7055372  595161404462126 4    452025 4      C-13-H3C(O)CH3
  618307.9746  0.0121 -5.5109 3  134.7811360  5951614042219 4 1    2116 6 1      C-13-H3C(O)CH3
  618313.3425  0.0985 -6.1849 3 1073.5145492  595161404614517 3    604615 3      C-13-H3C(O)CH3
  618316.4296  0.0218 -3.7374 3  318.8294552  595161404342410 2    332311 2      C-13-H3C(O)CH3
  618330.8244  0.1000 -6.1849 3 1073.4909492  595161404614517 4    604615 4      C-13-H3C(O)CH3
  618334.2759  0.0121 -5.5125 3  134.7938360  5951614042219 4 2    2116 6 2      C-13-H3C(O)CH3
  618353.2596  0.2162 -5.8181 3 1430.1440D68  595161404851373 1    851274 1      C-13-H3C(O)CH3
  618353.2596  0.2162 -5.8181 3 1430.1440D68  595161404851273 1    851174 1      C-13-H3C(O)CH3
  618354.6336  0.2192 -6.1156 3 1430.1438D68  595161404851273 2    851274 2      C-13-H3C(O)CH3
  618354.6336  0.2192 -6.1156 3 1430.1438D68  595161404851373 2    851174 2      C-13-H3C(O)CH3
  618354.6336  0.2192 -6.0054 3 1430.1438D68  595161404851373 2    851274 2      C-13-H3C(O)CH3
  618354.6336  0.2192 -6.0054 3 1430.1438D68  595161404851273 2    851174 2      C-13-H3C(O)CH3
  618364.4457  0.0718 -4.9025 3  714.1769824  595161404513219 0    503318 0      C-13-H3C(O)CH3
  618374.3356  0.0783 -6.3069 3 1208.0175A32  595161404645014 0    635113 0      C-13-H3C(O)CH3
  618374.3356  0.0783 -6.3069 3 1208.0175A32  595161404645015 0    635112 0      C-13-H3C(O)CH3
  618381.9163  0.1081 -6.3070 3 1208.0112A32  595161404645015 1    635113 1      C-13-H3C(O)CH3
  618427.1618  0.1344 -5.6144 3  879.6412920  595161404573325 0    563422 0      C-13-H3C(O)CH3
  618431.9014  0.0116 -5.5171 3  134.8477360  5951614042219 3 2    2116 5 2      C-13-H3C(O)CH3
  618437.4156  0.0307 -4.3310 3  318.7984276  595161404342410 3    332311 3      C-13-H3C(O)CH3
  618519.9796  0.1386 -6.2012 3 1430.1408684  595161404851373 3    851274 3      C-13-H3C(O)CH3
  618519.9796  0.1386 -6.2012 3 1430.1408684  595161404851273 3    851174 3      C-13-H3C(O)CH3
  618520.2386  0.1386 -6.1050 3 1430.1408684  595161404851373 4    851174 4      C-13-H3C(O)CH3
  618520.2386  0.1386 -6.1050 3 1430.1408684  595161404851273 4    851274 4      C-13-H3C(O)CH3
  618542.6247  0.1050 -6.3072 3 1208.0059A32  595161404645015 2    635113 2      C-13-H3C(O)CH3
  618564.6741  0.1098 -6.3071 3 1208.0433A32  595161404645014 1    635112 1      C-13-H3C(O)CH3
  618588.4971  0.0910 -5.5027 3  807.5716436  595161404543519 4    533617 4      C-13-H3C(O)CH3
  618590.0817  0.0150 -5.2362 3   98.2446392  59516140424 321 2    23 222 2      C-13-H3C(O)CH3
  618590.0817  0.0150 -5.2391 3   98.2446392  59516140424 421 2    23 122 2      C-13-H3C(O)CH3
  618592.9030  0.0153 -5.2370 3   98.2450392  59516140424 421 1    23 222 1      C-13-H3C(O)CH3
  618592.9030  0.0153 -5.2370 3   98.2450392  59516140424 321 1    23 122 1      C-13-H3C(O)CH3
  618600.2122  0.0046 -3.6966 3  548.2255760  595161404471928 0    462027 0      C-13-H3C(O)CH3
  618600.2131  0.0046 -3.6966 3  548.2255760  595161404472028 0    461927 0      C-13-H3C(O)CH3
  618600.5701  0.0061 -4.0303 3  630.5515452  59516140456 947 4    551046 4      C-13-H3C(O)CH3
  618600.5701  0.0061 -4.0303 3  630.5515452  595161404561047 4    55 946 4      C-13-H3C(O)CH3
  618600.5701  0.0061 -4.4525 3  630.5515452  595161404561047 4    551046 4      C-13-H3C(O)CH3
  618600.5701  0.0061 -4.4525 3  630.5515452  59516140456 947 4    55 946 4      C-13-H3C(O)CH3
  618600.6138  0.0061 -4.4642 3  630.5515452  59516140456 947 3    551046 3      C-13-H3C(O)CH3
  618600.6138  0.0061 -4.4642 3  630.5515452  595161404561047 3    55 946 3      C-13-H3C(O)CH3
  618600.6138  0.0061 -4.0259 3  630.5515452  595161404561047 3    551046 3      C-13-H3C(O)CH3
  618600.6138  0.0061 -4.0259 3  630.5515452  59516140456 947 3    55 946 3      C-13-H3C(O)CH3
  618602.4544  0.0098 -3.6381 3  630.5823904  595161404561047 1    551046 1      C-13-H3C(O)CH3
  618602.4544  0.0098 -4.5693 3  630.5823904  595161404561047 1    55 946 1      C-13-H3C(O)CH3
  618602.4544  0.0098 -3.6381 3  630.5823904  59516140456 947 1    55 946 1      C-13-H3C(O)CH3
  618602.4544  0.0098 -4.5693 3  630.5823904  59516140456 947 1    551046 1      C-13-H3C(O)CH3
  618603.1046  0.0097 -4.4382 3  630.5820904  59516140456 947 2    551046 2      C-13-H3C(O)CH3
  618603.1046  0.0097 -4.4382 3  630.5820904  595161404561047 2    55 946 2      C-13-H3C(O)CH3
  618603.1046  0.0097 -3.6564 3  630.5820904  59516140456 947 2    55 946 2      C-13-H3C(O)CH3
  618603.1046  0.0097 -3.6564 3  630.5820904  595161404561047 2    551046 2      C-13-H3C(O)CH3
  618604.9539  0.0049 -4.3403 3  630.6128904  59516140456 947 0    55 946 0      C-13-H3C(O)CH3
  618604.9539  0.0049 -4.3403 3  630.6128904  595161404561047 0    551046 0      C-13-H3C(O)CH3
  618604.9539  0.0049 -3.6750 3  630.6128904  595161404561047 0    55 946 0      C-13-H3C(O)CH3
  618604.9539  0.0049 -3.6750 3  630.6128904  59516140456 947 0    551046 0      C-13-H3C(O)CH3
  618628.1227  0.1580 -5.7969 3  684.5568404  595161404503119 4    493217 4      C-13-H3C(O)CH3
  618629.2078  0.0063 -3.6966 3  548.2041760  595161404471928 1    462027 1      C-13-H3C(O)CH3
  618629.2088  0.0063 -3.6966 3  548.2041760  595161404472028 1    461927 1      C-13-H3C(O)CH3
  618634.8253  0.0065 -3.6965 3  548.2027760  595161404471928 2    462027 2      C-13-H3C(O)CH3
  618634.8263  0.0065 -3.6965 3  548.2027760  595161404472028 2    461927 2      C-13-H3C(O)CH3
  618641.2016  0.1231 -6.3072 3 1208.0481A32  595161404645014 2    635112 2      C-13-H3C(O)CH3
  618663.8651  0.0072 -3.9976 3  548.1812380  595161404471928 3    462027 3      C-13-H3C(O)CH3
  618663.8664  0.0072 -3.9976 3  548.1812380  595161404472028 3    461927 3      C-13-H3C(O)CH3
  618663.8895  0.0072 -3.9976 3  548.1812380  595161404471928 4    462027 4      C-13-H3C(O)CH3
  618663.8907  0.0072 -3.9976 3  548.1812380  595161404472028 4    461927 4      C-13-H3C(O)CH3
  618676.7804  0.0042 -3.7759 3  505.7967712  595161404442222 0    432321 0      C-13-H3C(O)CH3
  618694.0763  0.1459 -6.3346 3 1379.1048D52  595161404841273 0    841174 0      C-13-H3C(O)CH3
  618694.0763  0.1459 -5.7957 3 1379.1048D52  595161404841273 0    841074 0      C-13-H3C(O)CH3
  618694.0763  0.1459 -6.3346 3 1379.1048D52  595161404841173 0    841074 0      C-13-H3C(O)CH3
  618694.0763  0.1459 -5.7957 3 1379.1048D52  595161404841173 0    841174 0      C-13-H3C(O)CH3
  618700.7051  0.0052 -3.7760 3  505.7762712  595161404442222 1    432321 1      C-13-H3C(O)CH3
  618711.0830  0.0095 -3.8479 3  469.5447680  595161404422419 0    412318 0      C-13-H3C(O)CH3
  618716.9734  0.0058 -3.7760 3  505.7726712  595161404442222 2    432321 2      C-13-H3C(O)CH3
  618740.7555  0.0063 -4.0771 3  505.7521356  595161404442222 3    432321 3      C-13-H3C(O)CH3
  618740.9127  0.0063 -4.0771 3  505.7521356  595161404442222 4    432321 4      C-13-H3C(O)CH3
  618773.9237  0.0098 -3.8479 3  469.5226680  595161404422419 1    412318 1      C-13-H3C(O)CH3
  618827.0607  0.0042 -3.7757 3  505.7928712 -595161404442322 0    432221 0      C-13-H3C(O)CH3
  618855.2755  0.0052 -3.7757 3  505.7722712  595161404442322 1    432221 1      C-13-H3C(O)CH3
  618872.9311  0.1684 -5.7150 3 1379.0945D52  595161404841273 2    841074 2      C-13-H3C(O)CH3
  618872.9311  0.1684 -5.7150 3 1379.0945D52  595161404841173 2    841174 2      C-13-H3C(O)CH3
  618873.0578  0.1657 -5.9290 3 1379.0947D52  595161404841173 1    841074 1      C-13-H3C(O)CH3
  618873.0578  0.1657 -6.0518 3 1379.0947D52  595161404841173 1    841174 1      C-13-H3C(O)CH3
  618873.0578  0.1657 -5.9290 3 1379.0947D52  595161404841273 1    841174 1      C-13-H3C(O)CH3
  618873.0578  0.1657 -6.0518 3 1379.0947D52  595161404841273 1    841074 1      C-13-H3C(O)CH3
  618875.4638  0.0055 -3.7758 3  505.7685712  595161404442322 2    432221 2      C-13-H3C(O)CH3
  618893.6823  0.0968 -5.2825 3  807.5292872  595161404543519 2    533617 2      C-13-H3C(O)CH3
  618903.5631  0.0060 -4.0768 3  505.7478356  595161404442322 4    432221 4      C-13-H3C(O)CH3
  618903.8025  0.0060 -4.0768 3  505.7479356  595161404442322 3    432221 3      C-13-H3C(O)CH3
  618917.1192  0.0113 -3.8481 3  469.5129680  595161404422419 2    412318 2      C-13-H3C(O)CH3
  618928.0620  0.1215 -5.9194 3  807.5426436  595161404543519 3    533617 3      C-13-H3C(O)CH3
  618941.1400  0.0131 -5.5159 3  134.8283360  5951614042219 4 0    2116 5 0      C-13-H3C(O)CH3
  618975.5543  0.0109 -4.1491 3  469.4908340  595161404422419 4    412318 4      C-13-H3C(O)CH3
  618982.2728  0.0119 -4.1491 3  469.4907340  595161404422419 3    412318 3      C-13-H3C(O)CH3
  619009.0848  0.1253 -5.6074 3  879.6255920  595161404573325 1    563422 1      C-13-H3C(O)CH3
  619023.2625  0.0130 -5.5158 3  134.8255360  5951614042219 3 0    2116 6 0      C-13-H3C(O)CH3
  619043.1722  0.0259 -6.1644 3  687.0141824  595161404512625 0    512328 0      C-13-H3C(O)CH3
  619052.0872  0.1232 -5.9880 3 1379.0844676  595161404841273 3    841174 3      C-13-H3C(O)CH3
  619052.0872  0.1232 -5.9880 3 1379.0844676  595161404841173 3    841074 3      C-13-H3C(O)CH3
  619052.3391  0.1232 -5.9884 3 1379.0843676  595161404841273 4    841174 4      C-13-H3C(O)CH3
  619052.3391  0.1232 -5.9884 3 1379.0843676  595161404841173 4    841074 4      C-13-H3C(O)CH3
  619071.1526  0.0125 -6.1707 3  493.7898712  595161404442024 0    441727 0      C-13-H3C(O)CH3
  619071.4024  0.0125 -6.1707 3  493.7898712  595161404442124 0    441827 0      C-13-H3C(O)CH3
  619073.9625  0.0258 -6.1644 3  687.0141824  595161404512725 0    512428 0      C-13-H3C(O)CH3
  619088.8854  0.1924 -5.6066 3  879.6230920  595161404573325 2    563422 2      C-13-H3C(O)CH3
  619097.2566  0.0917 -5.3160 3  807.5170872  595161404543519 1    533617 1      C-13-H3C(O)CH3
  619108.2347  0.0398 -6.1643 3  687.0041824  595161404512625 2    512328 2      C-13-H3C(O)CH3
  619113.6096  0.0083 -4.1401 3  490.1377348  595161404432320 3    422419 3      C-13-H3C(O)CH3
  619116.1593  0.0085 -4.1401 3  490.1377348  595161404432320 4    422419 4      C-13-H3C(O)CH3
  619119.2942  0.0087 -3.8389 3  490.1577696  595161404432320 2    422419 2      C-13-H3C(O)CH3
  619121.5701  0.0060 -3.8386 3  490.1627696  595161404432320 1    422419 1      C-13-H3C(O)CH3
  619122.7612  0.0284 -6.1635 3  687.0049824  595161404512625 1    512328 1      C-13-H3C(O)CH3
  619125.7874  0.0060 -3.8384 3  490.1827696  595161404432320 0    422419 0      C-13-H3C(O)CH3
  619141.2579  0.0394 -6.1642 3  687.0041824  595161404512725 2    512428 2      C-13-H3C(O)CH3
  619155.4730  0.0285 -6.1635 3  687.0049824  595161404512725 1    512428 1      C-13-H3C(O)CH3
  619158.4685  0.0155 -6.1709 3  493.7629712  595161404442024 2    441727 2      C-13-H3C(O)CH3
  619158.7430  0.0155 -6.1709 3  493.7629712  595161404442124 2    441827 2      C-13-H3C(O)CH3
  619175.9686  0.1006 -5.5858 3  807.5343436  595161404543519 3    533618 3      C-13-H3C(O)CH3
  619178.4710  0.0137 -6.1693 3  493.7644712  595161404442024 1    441727 1      C-13-H3C(O)CH3
  619178.7368  0.0137 -6.1693 3  493.7644712  595161404442124 1    441827 1      C-13-H3C(O)CH3
  619201.0478  0.1116 -5.6210 3 1328.6394D36  595161404831173 0    83 974 0      C-13-H3C(O)CH3
  619201.0478  0.1116 -5.6210 3 1328.6394D36  595161404831073 0    831074 0      C-13-H3C(O)CH3
  619202.6735  0.0144 -5.2353 3   98.1861392  59516140424 321 0    23 222 0      C-13-H3C(O)CH3
  619202.6735  0.0144 -5.2353 3   98.1861392  59516140424 421 0    23 122 0      C-13-H3C(O)CH3
  619244.5387  0.0048 -3.6820 3  561.0872776  595161404481930 0    471829 0      C-13-H3C(O)CH3
  619244.5387  0.0048 -3.6820 3  561.0872776  595161404481830 0    471929 0      C-13-H3C(O)CH3
  619272.7629  0.0067 -3.6820 3  561.0652776  595161404481830 1    471929 1      C-13-H3C(O)CH3
  619272.7629  0.0067 -3.6820 3  561.0652776  595161404481930 1    471829 1      C-13-H3C(O)CH3
  619276.9595  0.0069 -3.6820 3  561.0641776  595161404481830 2    471929 2      C-13-H3C(O)CH3
  619276.9595  0.0069 -3.6820 3  561.0641776  595161404481930 2    471829 2      C-13-H3C(O)CH3
  619279.0795  0.0073 -4.0971 3  655.6759516 -59516140464 064 3    63 063 3      C-13-H3C(O)CH3
  619279.0795  0.0073 -4.5169 3  655.6759516 -59516140464 064 4    63 163 4      C-13-H3C(O)CH3
  619279.0795  0.0073 -4.0827 3  655.6759516 -59516140464 164 3    63 063 3      C-13-H3C(O)CH3
  619279.0795  0.0073 -3.8912 3  655.6759516 -59516140464 164 4    63 163 4      C-13-H3C(O)CH3
  619279.1416  0.0073 -3.8787 3  655.6759516  59516140464 064 4    63 063 4      C-13-H3C(O)CH3
  619279.1416  0.0073 -4.4666 3  655.6759516  59516140464 164 4    63 063 4      C-13-H3C(O)CH3
  619279.1569  0.0073 -4.0827 3  655.6759516  59516140464 064 3    63 163 3      C-13-H3C(O)CH3
  619279.1569  0.0073 -4.0971 3  655.6759516  59516140464 164 3    63 163 3      C-13-H3C(O)CH3
  619282.6625  0.0117 -3.8607 3  655.6115A32 -59516140464 064 2    63 063 2      C-13-H3C(O)CH3
  619282.6625  0.0120 -3.4877 3  655.6117A32 -59516140464 064 1    63 163 1      C-13-H3C(O)CH3
  619282.6625  0.0117 -3.7269 3  655.6115A32 -59516140464 064 2    63 163 2      C-13-H3C(O)CH3
  619282.6625  0.0117 -3.8607 3  655.6115A32 -59516140464 164 2    63 163 2      C-13-H3C(O)CH3
  619282.6625  0.0120 -3.4877 3  655.6117A32 -59516140464 164 1    63 063 1      C-13-H3C(O)CH3
  619282.6625  0.0117 -3.7269 3  655.6115A32 -59516140464 164 2    63 063 2      C-13-H3C(O)CH3
  619286.1164  0.0086 -6.1389 3  655.5474A32  59516140464 064 0    63 163 0      C-13-H3C(O)CH3
  619286.1164  0.0086 -3.4885 3  655.5474A32  59516140464 164 0    63 163 0      C-13-H3C(O)CH3
  619286.2192  0.0086 -3.4885 3  655.5474A32 -59516140464 064 0    63 063 0      C-13-H3C(O)CH3
  619286.2192  0.0086 -6.1389 3  655.5474A32 -59516140464 164 0    63 063 0      C-13-H3C(O)CH3
  619300.9410  0.0098 -5.2678 3  145.7361392  5951614042415 9 2    231212 2      C-13-H3C(O)CH3
  619305.2291  0.0075 -3.9830 3  561.0420388  595161404481930 3    471829 3      C-13-H3C(O)CH3
  619305.2291  0.0075 -3.9830 3  561.0420388  595161404481830 3    471929 3      C-13-H3C(O)CH3
  619305.2526  0.0075 -3.9830 3  561.0420388  595161404481930 4    471829 4      C-13-H3C(O)CH3
  619305.2526  0.0075 -3.9830 3  561.0420388  595161404481830 4    471929 4      C-13-H3C(O)CH3
  619381.9467  0.1221 -5.7661 3 1328.6220D36  595161404831173 2    83 974 2      C-13-H3C(O)CH3
  619381.9467  0.1221 -6.1603 3 1328.6220D36  595161404831173 2    831074 2      C-13-H3C(O)CH3
  619381.9467  0.1221 -5.7661 3 1328.6220D36  595161404831073 2    831074 2      C-13-H3C(O)CH3
  619381.9467  0.1221 -6.1603 3 1328.6220D36  595161404831073 2    83 974 2      C-13-H3C(O)CH3
  619382.9916  0.1212 -5.6795 3 1328.6222D36  595161404831073 1    831074 1      C-13-H3C(O)CH3
  619382.9916  0.1212 -5.6795 3 1328.6222D36  595161404831173 1    83 974 1      C-13-H3C(O)CH3
  619393.6256  0.0122 -5.5742 3  145.7423196  5951614042415 9 3    231212 3      C-13-H3C(O)CH3
  619404.0070  0.0132 -5.5748 3  145.7423196  5951614042415 9 4    231212 4      C-13-H3C(O)CH3
  619426.8109  0.0087 -5.2658 3  145.7334392  5951614042415 9 0    231212 0      C-13-H3C(O)CH3
  619511.7706  0.0136 -3.8672 3  449.1393664  595161404412418 0    402317 0      C-13-H3C(O)CH3
  619520.3395  0.1430 -5.8253 3  684.5361808  595161404503119 2    493217 2      C-13-H3C(O)CH3
  619521.8162  0.0098 -5.2715 3  145.7396392  5951614042415 9 1    231212 1      C-13-H3C(O)CH3
  619564.0401  0.1091 -5.9930 3 1328.6047668  595161404831073 3    83 974 3      C-13-H3C(O)CH3
  619564.0401  0.1091 -5.9930 3 1328.6047668  595161404831173 3    831074 3      C-13-H3C(O)CH3
  619564.2537  0.1091 -5.9614 3 1328.6047668  595161404831173 4    831074 4      C-13-H3C(O)CH3
  619564.2537  0.1091 -5.9614 3 1328.6047668  595161404831073 4    83 974 4      C-13-H3C(O)CH3
  619577.3579  0.0143 -3.8671 3  449.1170664  595161404412418 1    402317 1      C-13-H3C(O)CH3
  619645.8921  0.1810 -5.9009 3  879.6082460  595161404573325 4    563422 4      C-13-H3C(O)CH3
  619679.3235  0.1890 -5.9005 3  879.6072460  595161404573325 3    563422 3      C-13-H3C(O)CH3
  619700.7121  0.0057 -4.3709 3  637.7838460 -59516140457 949 4    56 848 4      C-13-H3C(O)CH3
  619700.7121  0.0057 -4.0548 3  637.7838460 -59516140457 949 4    56 948 4      C-13-H3C(O)CH3
  619700.7121  0.0057 -4.3709 3  637.7838460 -59516140457 849 4    56 948 4      C-13-H3C(O)CH3
  619700.7121  0.0057 -4.0548 3  637.7838460 -59516140457 849 4    56 848 4      C-13-H3C(O)CH3
  619700.7121  0.0057 -5.2249 3  637.7838460 -59516140457 849 3    56 848 3      C-13-H3C(O)CH3
  619700.7121  0.0057 -5.2249 3  637.7838460 -59516140457 949 3    56 948 3      C-13-H3C(O)CH3
  619700.7121  0.0057 -3.9039 3  637.7838460 -59516140457 949 3    56 848 3      C-13-H3C(O)CH3
  619700.7121  0.0057 -3.9039 3  637.7838460 -59516140457 849 3    56 948 3      C-13-H3C(O)CH3
  619703.4916  0.0802 -5.1192 3  807.4725872  595161404543519 0    533618 0      C-13-H3C(O)CH3
  619707.9587  0.0096 -4.5988 3  637.8140920 -59516140457 949 2    56 848 2      C-13-H3C(O)CH3
  619707.9587  0.0096 -3.6267 3  637.8140920 -59516140457 949 2    56 948 2      C-13-H3C(O)CH3
  619707.9587  0.0097 -3.6060 3  637.8143920 -59516140457 849 1    56 948 1      C-13-H3C(O)CH3
  619707.9587  0.0097 -4.8650 3  637.8143920 -59516140457 949 1    56 948 1      C-13-H3C(O)CH3
  619707.9587  0.0097 -3.6060 3  637.8143920 -59516140457 949 1    56 848 1      C-13-H3C(O)CH3
  619707.9587  0.0097 -4.8650 3  637.8143920 -59516140457 849 1    56 848 1      C-13-H3C(O)CH3
  619707.9587  0.0096 -3.6267 3  637.8140920 -59516140457 849 2    56 848 2      C-13-H3C(O)CH3
  619707.9587  0.0096 -4.5988 3  637.8140920 -59516140457 849 2    56 948 2      C-13-H3C(O)CH3
  619714.3575  0.0846 -5.5963 3 1278.7509D20  59516140482 973 0    82 874 0      C-13-H3C(O)CH3
  619714.3575  0.0846 -5.5963 3 1278.7509D20  595161404821073 0    82 974 0      C-13-H3C(O)CH3
  619715.4849  0.0049 -3.7686 3  637.8445920 -59516140457 949 0    56 848 0      C-13-H3C(O)CH3
  619715.4849  0.0049 -4.0409 3  637.8445920 -59516140457 949 0    56 948 0      C-13-H3C(O)CH3
  619715.4849  0.0049 -4.0409 3  637.8445920 -59516140457 849 0    56 848 0      C-13-H3C(O)CH3
  619715.4849  0.0049 -3.7686 3  637.8445920 -59516140457 849 0    56 948 0      C-13-H3C(O)CH3
  619830.9137  0.0177 -3.8672 3  449.1033664  595161404412418 2    402317 2      C-13-H3C(O)CH3
  619883.2603  0.0959 -5.6557 3 1278.7269D20  595161404821073 2    82 974 2      C-13-H3C(O)CH3
  619883.2603  0.0959 -6.2549 3 1278.7269D20  595161404821073 2    82 874 2      C-13-H3C(O)CH3
  619883.2603  0.0959 -5.6557 3 1278.7269D20  59516140482 973 2    82 874 2      C-13-H3C(O)CH3
  619883.2603  0.0959 -6.2549 3 1278.7269D20  59516140482 973 2    82 974 2      C-13-H3C(O)CH3
  619884.5683  0.0982 -5.5583 3 1278.7271D20  595161404821073 1    82 974 1      C-13-H3C(O)CH3
  619884.5683  0.0982 -5.5583 3 1278.7271D20  59516140482 973 1    82 874 1      C-13-H3C(O)CH3
  619887.8554  0.0176 -4.1681 3  449.0812332  595161404412418 4    402317 4      C-13-H3C(O)CH3
  619899.4623  0.0191 -4.1681 3  449.0810332  595161404412418 3    402317 3      C-13-H3C(O)CH3
  619928.6721  0.0757 -6.0453 3  684.5276808  595161404503119 1    493217 1      C-13-H3C(O)CH3
  619985.8997  0.0978 -5.5580 3  807.4873872  595161404543519 1    533618 1      C-13-H3C(O)CH3
  620001.1992  0.0934 -5.6237 3  807.4923872  595161404543519 2    533618 2      C-13-H3C(O)CH3
  620027.4877  0.0048 -3.7521 3  573.3556792  595161404491832 0    481831 0      C-13-H3C(O)CH3
  620027.4877  0.0048 -4.4903 3  573.3556792  595161404491832 0    481731 0      C-13-H3C(O)CH3
  620027.4877  0.0048 -4.4348 3  573.3556792  595161404491732 0    481831 0      C-13-H3C(O)CH3
  620027.4877  0.0048 -3.7414 3  573.3556792  595161404491732 0    481731 0      C-13-H3C(O)CH3
  620053.5846  0.0973 -5.9385 3 1278.7031660  59516140482 973 3    82 974 3      C-13-H3C(O)CH3
  620053.5846  0.0973 -5.9385 3 1278.7031660  595161404821073 3    82 874 3      C-13-H3C(O)CH3
  620053.7169  0.0973 -5.9542 3 1278.7031660  59516140482 973 4    82 974 4      C-13-H3C(O)CH3
  620053.7169  0.0973 -5.9542 3 1278.7031660  595161404821073 4    82 874 4      C-13-H3C(O)CH3
  620054.3539  0.0071 -5.0866 3  573.3329792  595161404491832 1    481731 1      C-13-H3C(O)CH3
  620054.3539  0.0071 -3.6866 3  573.3329792  595161404491832 1    481831 1      C-13-H3C(O)CH3
  620054.3539  0.0071 -5.1002 3  573.3329792  595161404491732 1    481831 1      C-13-H3C(O)CH3
  620054.3539  0.0071 -3.6871 3  573.3329792  595161404491732 1    481731 1      C-13-H3C(O)CH3
  620057.5640  0.0072 -3.6705 3  573.3320792  595161404491732 2    481831 2      C-13-H3C(O)CH3
  620057.5640  0.0072 -3.6706 3  573.3320792  595161404491832 2    481731 2      C-13-H3C(O)CH3
  620084.4746  0.0077 -3.9713 3  573.3092396  595161404491832 3    481731 3      C-13-H3C(O)CH3
  620084.4746  0.0077 -3.9730 3  573.3092396  595161404491732 3    481831 3      C-13-H3C(O)CH3
  620084.4746  0.0077 -6.2113 3  573.3092396  595161404491732 3    481731 3      C-13-H3C(O)CH3
  620084.4948  0.0077 -3.9772 3  573.3092396  595161404491832 4    481731 4      C-13-H3C(O)CH3
  620084.4948  0.0077 -3.9776 3  573.3092396  595161404491732 4    481831 4      C-13-H3C(O)CH3
  620084.4948  0.0077 -5.7991 3  573.3092396  595161404491832 4    481831 4      C-13-H3C(O)CH3
  620084.4948  0.0077 -5.8261 3  573.3092396  595161404491732 4    481731 4      C-13-H3C(O)CH3
  620157.9395  0.0159 -5.4699 3  165.5891204  5951614042518 8 4    241510 4      C-13-H3C(O)CH3
  620240.1520  0.0714 -5.5065 3 1229.4392D04  59516140481 973 0    81 874 0      C-13-H3C(O)CH3
  620240.1520  0.0714 -5.5065 3 1229.4392D04  59516140481 873 0    81 774 0      C-13-H3C(O)CH3
  620378.6098  0.1035 -5.5147 3 1229.4100D04  59516140481 973 2    81 874 2      C-13-H3C(O)CH3
  620378.6098  0.1035 -5.5147 3 1229.4100D04  59516140481 873 2    81 774 2      C-13-H3C(O)CH3
  620379.5297  0.1075 -5.5623 3 1229.4101D04  59516140481 873 1    81 874 1      C-13-H3C(O)CH3
  620379.5297  0.1075 -5.5623 3 1229.4101D04  59516140481 973 1    81 774 1      C-13-H3C(O)CH3
  620518.0550  0.0883 -6.1118 3 1229.3808652  59516140481 973 4    81 774 4      C-13-H3C(O)CH3
  620518.0550  0.0883 -6.0998 3 1229.3808652  59516140481 973 4    81 874 4      C-13-H3C(O)CH3
  620518.0550  0.0883 -6.1118 3 1229.3808652  59516140481 873 4    81 874 4      C-13-H3C(O)CH3
  620518.0550  0.0883 -6.0998 3 1229.3808652  59516140481 873 4    81 774 4      C-13-H3C(O)CH3
  620518.0573  0.0883 -5.9134 3 1229.3808652  59516140481 973 3    81 774 3      C-13-H3C(O)CH3
  620518.0573  0.0883 -5.9134 3 1229.3808652  59516140481 873 3    81 874 3      C-13-H3C(O)CH3
  620553.5510  0.0555 -6.1348 3  739.2165420  595161404523221 4    513319 4      C-13-H3C(O)CH3
  620553.8003  0.0606 -6.2451 3  739.2146840  595161404523221 2    513319 2      C-13-H3C(O)CH3
  620573.7447  0.1331 -6.1851 3  807.5053436  595161404543519 4    533618 4      C-13-H3C(O)CH3
  620574.0112  0.0067 -3.0877 3  309.4152504 -5951614043131 1 2    3030 1 2      C-13-H3C(O)CH3
  620588.7212  0.0091 -3.3885 3  309.3337252  5951614043131 1 4    3030 1 4      C-13-H3C(O)CH3
  620642.1189  0.0062 -3.0877 3  309.4887504 -5951614043131 0 0    3030 1 0      C-13-H3C(O)CH3
  620642.1189  0.0062 -3.0877 3  309.4887504 -5951614043131 1 0    3030 0 0      C-13-H3C(O)CH3
  620656.4162  0.0070 -3.0875 3  309.4070504 -5951614043131 1 1    3030 1 1      C-13-H3C(O)CH3
  620661.2902  0.0054 -5.8852 3  331.9358284  595161404352312 3    342212 3      C-13-H3C(O)CH3
  620671.0698  0.0056 -6.0810 3  331.9353284  595161404352312 4    342212 4      C-13-H3C(O)CH3
  620725.0521  0.0047 -5.6575 3  331.9550568  595161404352312 2    342212 2      C-13-H3C(O)CH3
  620785.4232  0.0730 -5.5022 3 1180.7040C88  59516140480 873 0    80 674 0      C-13-H3C(O)CH3
  620785.4232  0.0730 -5.7068 3 1180.7040C88  59516140480 873 0    80 774 0      C-13-H3C(O)CH3
  620785.4232  0.0730 -5.8188 3 1180.7040C88  59516140480 773 0    80 774 0      C-13-H3C(O)CH3
  620811.5539  0.0053 -5.2162 3  644.4760468  59516140458 851 3    57 850 3      C-13-H3C(O)CH3
  620811.5539  0.0053 -5.2162 3  644.4760468  59516140458 751 3    57 750 3      C-13-H3C(O)CH3
  620811.8636  0.0053 -3.8965 3  644.4760468 -59516140458 851 3    57 750 3      C-13-H3C(O)CH3
  620811.8636  0.0053 -3.9273 3  644.4760468 -59516140458 851 4    57 850 4      C-13-H3C(O)CH3
  620811.8636  0.0053 -3.9273 3  644.4760468 -59516140458 751 4    57 750 4      C-13-H3C(O)CH3
  620811.8636  0.0053 -4.8302 3  644.4760468 -59516140458 751 4    57 850 4      C-13-H3C(O)CH3
  620811.8636  0.0053 -3.8965 3  644.4760468 -59516140458 751 3    57 850 3      C-13-H3C(O)CH3
  620811.8636  0.0053 -4.8302 3  644.4760468 -59516140458 851 4    57 750 4      C-13-H3C(O)CH3
  620823.1124  0.0066 -3.0873 3  309.4270504 -5951614043131 0 2    3030 0 2      C-13-H3C(O)CH3
  620824.1499  0.0092 -4.4928 3  644.5053936  59516140458 751 1    57 750 1      C-13-H3C(O)CH3
  620824.1499  0.0092 -3.6311 3  644.5053936  59516140458 751 1    57 850 1      C-13-H3C(O)CH3
  620824.1499  0.0092 -4.4928 3  644.5053936  59516140458 851 1    57 850 1      C-13-H3C(O)CH3
  620824.1499  0.0092 -3.6311 3  644.5053936  59516140458 851 1    57 750 1      C-13-H3C(O)CH3
  620824.6249  0.0090 -3.5934 3  644.5050936  59516140458 751 2    57 750 2      C-13-H3C(O)CH3
  620824.6249  0.0090 -4.9622 3  644.5050936  59516140458 851 2    57 750 2      C-13-H3C(O)CH3
  620824.6249  0.0090 -3.5934 3  644.5050936  59516140458 851 2    57 850 2      C-13-H3C(O)CH3
  620824.6249  0.0090 -4.9622 3  644.5050936  59516140458 751 2    57 850 2      C-13-H3C(O)CH3
  620835.4905  0.0087 -3.3882 3  309.3711252  5951614043131 0 3    3030 0 3      C-13-H3C(O)CH3
  620837.1060  0.0048 -4.3584 3  644.5343936 -59516140458 751 0    57 750 0      C-13-H3C(O)CH3
  620837.1060  0.0048 -3.6534 3  644.5343936 -59516140458 751 0    57 850 0      C-13-H3C(O)CH3
  620837.1060  0.0048 -3.6534 3  644.5343936 -59516140458 851 0    57 750 0      C-13-H3C(O)CH3
  620837.1060  0.0048 -4.3584 3  644.5343936 -59516140458 851 0    57 850 0      C-13-H3C(O)CH3
  620837.1489  0.0088 -3.3882 3  309.3455252  5951614043131 1 3    3030 1 3      C-13-H3C(O)CH3
  620869.8750  0.1324 -5.4829 3 1180.6717C88  59516140480 873 1    80 674 1      C-13-H3C(O)CH3
  620869.8750  0.1324 -5.4829 3 1180.6717C88  59516140480 773 1    80 774 1      C-13-H3C(O)CH3
  620869.8924  0.1293 -5.4588 3 1180.6716C88  59516140480 773 2    80 774 2      C-13-H3C(O)CH3
  620869.8924  0.1293 -5.4588 3 1180.6716C88  59516140480 873 2    80 674 2      C-13-H3C(O)CH3
  620903.1476  0.0049 -3.8811 3  585.0450808  595161404501634 0    491633 0      C-13-H3C(O)CH3
  620903.1476  0.0049 -4.0595 3  585.0450808  595161404501634 0    491733 0      C-13-H3C(O)CH3
  620903.1476  0.0049 -4.0595 3  585.0450808  595161404501734 0    491633 0      C-13-H3C(O)CH3
  620903.1476  0.0049 -3.8811 3  585.0450808  595161404501734 0    491733 0      C-13-H3C(O)CH3
  620903.9731  0.0067 -3.0872 3  309.4444504 -5951614043131 0 1    3030 0 1      C-13-H3C(O)CH3
  620928.1448  0.0075 -4.3189 3  585.0215808  595161404501634 1    491633 1      C-13-H3C(O)CH3
  620928.1448  0.0075 -4.3189 3  585.0215808  595161404501734 1    491733 1      C-13-H3C(O)CH3
  620928.1448  0.0075 -3.7677 3  585.0215808  595161404501734 1    491633 1      C-13-H3C(O)CH3
  620928.1448  0.0075 -3.7677 3  585.0215808  595161404501634 1    491733 1      C-13-H3C(O)CH3
  620930.6424  0.0076 -3.6706 3  585.0207808  595161404501734 2    491733 2      C-13-H3C(O)CH3
  620930.6424  0.0076 -3.6706 3  585.0207808  595161404501634 2    491633 2      C-13-H3C(O)CH3
  620930.6424  0.0076 -5.2831 3  585.0207808  595161404501734 2    491633 2      C-13-H3C(O)CH3
  620930.6424  0.0076 -5.2831 3  585.0207808  595161404501634 2    491733 2      C-13-H3C(O)CH3
  620948.0577  0.0112 -5.2329 3  165.5940408  5951614042518 8 1    241510 1      C-13-H3C(O)CH3
  620954.1714  0.0817 -5.7687 3 1180.6392644  59516140480 773 4    80 774 4      C-13-H3C(O)CH3
  620954.1714  0.0817 -5.7687 3 1180.6392644  59516140480 873 4    80 674 4      C-13-H3C(O)CH3
  620954.3652  0.0816 -5.9513 3 1180.6392644  59516140480 773 3    80 674 3      C-13-H3C(O)CH3
  620954.3652  0.0816 -5.9513 3 1180.6392644  59516140480 873 3    80 774 3      C-13-H3C(O)CH3
  620954.3652  0.0816 -6.2047 3 1180.6392644  59516140480 773 3    80 774 3      C-13-H3C(O)CH3
  620954.3652  0.0816 -6.2047 3 1180.6392644  59516140480 873 3    80 674 3      C-13-H3C(O)CH3
  620955.6814  0.0078 -4.0016 3  584.9971404  595161404501734 3    491633 3      C-13-H3C(O)CH3
  620955.6814  0.0078 -5.0120 3  584.9971404  595161404501634 3    491633 3      C-13-H3C(O)CH3
  620955.6814  0.0078 -5.0120 3  584.9971404  595161404501734 3    491733 3      C-13-H3C(O)CH3
  620955.6814  0.0078 -4.0016 3  584.9971404  595161404501634 3    491733 3      C-13-H3C(O)CH3
  620955.6968  0.0078 -3.9930 3  584.9970404  595161404501734 4    491633 4      C-13-H3C(O)CH3
  620955.6968  0.0078 -5.1117 3  584.9970404  595161404501734 4    491733 4      C-13-H3C(O)CH3
  620955.6968  0.0078 -5.1117 3  584.9970404  595161404501634 4    491633 4      C-13-H3C(O)CH3
  620955.6968  0.0078 -3.9930 3  584.9970404  595161404501634 4    491733 4      C-13-H3C(O)CH3
  621057.7407  0.1895 -5.9555 3  839.9819888  595161404553620 2    543717 2      C-13-H3C(O)CH3
  621084.2709  0.0090 -3.3879 3  309.3828252  5951614043131 0 4    3030 0 4      C-13-H3C(O)CH3
  621100.3756  0.0126 -5.8874 3  165.5902204  5951614042518 8 3    241510 3      C-13-H3C(O)CH3
  621222.4831  0.0759 -6.1307 3 1158.9652A16  595161404634816 0    624913 0      C-13-H3C(O)CH3
  621222.4832  0.0759 -6.1307 3 1158.9652A16  595161404634815 0    624914 0      C-13-H3C(O)CH3
  621261.2546  0.0059 -4.4756 3  170.9994220  595161404271116 4    261017 4      C-13-H3C(O)CH3
  621261.4247  0.0046 -4.4756 3  170.9993220  595161404271116 3    261017 3      C-13-H3C(O)CH3
  621262.2607  0.0059 -4.4756 3  170.9994220  595161404271216 4    26 917 4      C-13-H3C(O)CH3
  621262.4368  0.0046 -4.4756 3  170.9993220  595161404271216 3    26 917 3      C-13-H3C(O)CH3
  621319.9640  0.0104 -6.0436 3  121.9177180  5951614042215 8 4    211011 4      C-13-H3C(O)CH3
  621333.1396  0.0952 -6.1307 3 1158.9662A16  595161404634816 1    624914 1      C-13-H3C(O)CH3
  621352.2205  0.1407 -5.8561 3  839.9703888  595161404553620 1    543717 1      C-13-H3C(O)CH3
  621357.8814  0.1526 -5.6282 3 1132.5124C72  59516140479 773 1    79 674 1      C-13-H3C(O)CH3
  621357.8814  0.1526 -5.8443 3 1132.5124C72  59516140479 773 1    79 574 1      C-13-H3C(O)CH3
  621357.8814  0.1526 -5.6282 3 1132.5124C72  59516140479 673 1    79 574 1      C-13-H3C(O)CH3
  621357.8814  0.1526 -5.8443 3 1132.5124C72  59516140479 673 1    79 674 1      C-13-H3C(O)CH3
  621358.0374  0.0798 -5.6470 3 1132.5448C72  59516140479 773 0    79 574 0      C-13-H3C(O)CH3
  621358.0374  0.0798 -5.8153 3 1132.5448C72  59516140479 673 0    79 574 0      C-13-H3C(O)CH3
  621358.0374  0.0798 -5.8153 3 1132.5448C72  59516140479 773 0    79 674 0      C-13-H3C(O)CH3
  621358.0374  0.0798 -5.6470 3 1132.5448C72  59516140479 673 0    79 674 0      C-13-H3C(O)CH3
  621358.5415  0.0763 -5.7290 3 1132.4798636  59516140479 773 4    79 674 4      C-13-H3C(O)CH3
  621358.5415  0.0763 -5.7290 3 1132.4798636  59516140479 673 4    79 574 4      C-13-H3C(O)CH3
  621358.9708  0.0762 -5.7684 3 1132.4798636  59516140479 773 3    79 574 3      C-13-H3C(O)CH3
  621358.9708  0.0762 -5.7684 3 1132.4798636  59516140479 673 3    79 674 3      C-13-H3C(O)CH3
  621359.1624  0.1509 -5.5774 3 1132.5122C72  59516140479 673 2    79 574 2      C-13-H3C(O)CH3
  621359.1624  0.1509 -5.9433 3 1132.5122C72  59516140479 673 2    79 674 2      C-13-H3C(O)CH3
  621359.1624  0.1509 -5.5774 3 1132.5122C72  59516140479 773 2    79 674 2      C-13-H3C(O)CH3
  621359.1625  0.1509 -5.9433 3 1132.5122C72  59516140479 773 2    79 574 2      C-13-H3C(O)CH3
  621426.8498  0.0113 -5.2885 3  165.5911408  5951614042518 8 2    241510 2      C-13-H3C(O)CH3
  621446.5844  0.0948 -6.1307 3 1158.9976A16  595161404634815 1    624913 1      C-13-H3C(O)CH3
  621457.1144  0.1076 -6.1308 3 1159.0052A16  595161404634815 2    624913 2      C-13-H3C(O)CH3
  621471.0793  0.0891 -6.1309 3 1158.9643A16  595161404634816 2    624914 2      C-13-H3C(O)CH3
  621477.3210  0.0043 -4.1742 3  170.9978440  595161404271116 2    261017 2      C-13-H3C(O)CH3
  621478.3589  0.0043 -4.1742 3  170.9978440  595161404271216 2    26 917 2      C-13-H3C(O)CH3
  621501.0663  0.0043 -4.1743 3  170.9995440  595161404271116 1    261017 1      C-13-H3C(O)CH3
  621502.0565  0.0043 -4.1743 3  170.9995440  595161404271216 1    26 917 1      C-13-H3C(O)CH3
  621544.0685  0.1448 -5.7500 3  840.0011444  595161404553620 3    543717 3      C-13-H3C(O)CH3
  621582.9158  0.1308 -5.1240 3  684.4559404  595161404503119 3    493218 3      C-13-H3C(O)CH3
  621625.2959  0.0121 -5.2313 3  165.5902204  5951614042518 7 3    241510 3      C-13-H3C(O)CH3
  621716.5307  0.0045 -4.1738 3  170.9979440  595161404271116 0    261017 0      C-13-H3C(O)CH3
  621717.5477  0.0045 -4.1738 3  170.9979440  595161404271216 0    26 917 0      C-13-H3C(O)CH3
  621726.5438  0.0951 -5.8413 3  839.9950444  595161404553620 3    543718 3      C-13-H3C(O)CH3
  621727.2206  0.0709 -5.7058 3 1084.9042628  59516140478 573 4    78 474 4      C-13-H3C(O)CH3
  621727.2206  0.0709 -5.7058 3 1084.9042628  59516140478 673 4    78 574 4      C-13-H3C(O)CH3
  621727.8864  0.0708 -5.7051 3 1084.9042628  59516140478 673 3    78 474 3      C-13-H3C(O)CH3
  621727.8864  0.0708 -5.7051 3 1084.9042628  59516140478 573 3    78 574 3      C-13-H3C(O)CH3
  621785.8610  0.1175 -5.5237 3  839.9703444  595161404553620 4    543718 4      C-13-H3C(O)CH3
  621806.2475  0.0064 -6.0023 3  121.9176180  5951614042215 8 3    211011 3      C-13-H3C(O)CH3
  621843.4066  0.0049 -4.6495 3  596.1655824  595161404511536 0    501535 0      C-13-H3C(O)CH3
  621843.4066  0.0049 -4.6495 3  596.1655824  595161404511636 0    501635 0      C-13-H3C(O)CH3
  621843.4066  0.0049 -3.6975 3  596.1655824  595161404511536 0    501635 0      C-13-H3C(O)CH3
  621843.4066  0.0049 -3.6975 3  596.1655824  595161404511636 0    501535 0      C-13-H3C(O)CH3
  621846.1215  0.1564 -5.6853 3 1084.9326C56  59516140478 673 1    78 574 1      C-13-H3C(O)CH3
  621846.1215  0.1564 -5.6853 3 1084.9326C56  59516140478 573 1    78 474 1      C-13-H3C(O)CH3
  621846.1215  0.1564 -5.7159 3 1084.9326C56  59516140478 573 1    78 574 1      C-13-H3C(O)CH3
  621846.1215  0.1564 -5.7159 3 1084.9326C56  59516140478 673 1    78 474 1      C-13-H3C(O)CH3
  621848.6270  0.1557 -5.4031 3 1084.9324C56  59516140478 573 2    78 574 2      C-13-H3C(O)CH3
  621848.6270  0.1557 -5.4031 3 1084.9324C56  59516140478 673 2    78 474 2      C-13-H3C(O)CH3
  621866.0617  0.0080 -3.7062 3  596.1410824  595161404511536 1    501635 1      C-13-H3C(O)CH3
  621866.0617  0.0080 -4.5784 3  596.1410824  595161404511636 1    501635 1      C-13-H3C(O)CH3
  621866.0617  0.0080 -3.7062 3  596.1410824  595161404511636 1    501535 1      C-13-H3C(O)CH3
  621866.0617  0.0080 -4.5784 3  596.1410824  595161404511536 1    501535 1      C-13-H3C(O)CH3
  621868.0301  0.0081 -5.1307 3  596.1403824  595161404511636 2    501635 2      C-13-H3C(O)CH3
  621868.0301  0.0081 -3.6661 3  596.1403824  595161404511636 2    501535 2      C-13-H3C(O)CH3
  621868.0301  0.0081 -5.1307 3  596.1403824  595161404511536 2    501535 2      C-13-H3C(O)CH3
  621868.0301  0.0081 -3.6661 3  596.1403824  595161404511536 2    501635 2      C-13-H3C(O)CH3
  621890.7240  0.0079 -4.8778 3  596.1157412  595161404511636 3    501535 3      C-13-H3C(O)CH3
  621890.7240  0.0079 -4.8778 3  596.1157412  595161404511536 3    501635 3      C-13-H3C(O)CH3
  621890.7240  0.0079 -4.0074 3  596.1157412  595161404511536 3    501535 3      C-13-H3C(O)CH3
  621890.7240  0.0079 -4.0074 3  596.1157412  595161404511636 3    501635 3      C-13-H3C(O)CH3
  621890.7334  0.0079 -3.9532 3  596.1156412  595161404511536 4    501635 4      C-13-H3C(O)CH3
  621890.7334  0.0079 -6.1771 3  596.1156412  595161404511636 4    501635 4      C-13-H3C(O)CH3
  621890.7334  0.0079 -3.9551 3  596.1156412  595161404511636 4    501535 4      C-13-H3C(O)CH3
  621932.0447  0.0049 -3.8724 3  650.6296476  59516140459 653 4    58 652 4      C-13-H3C(O)CH3
  621932.0447  0.0049 -5.9001 3  650.6296476  59516140459 753 4    58 652 4      C-13-H3C(O)CH3
  621932.0447  0.0049 -3.8724 3  650.6296476  59516140459 753 4    58 752 4      C-13-H3C(O)CH3
  621932.0447  0.0049 -5.9001 3  650.6296476  59516140459 653 4    58 752 4      C-13-H3C(O)CH3
  621932.0991  0.0049 -3.8878 3  650.6297476  59516140459 653 3    58 752 3      C-13-H3C(O)CH3
  621932.0991  0.0049 -5.2271 3  650.6297476  59516140459 653 3    58 652 3      C-13-H3C(O)CH3
  621932.0991  0.0049 -3.8878 3  650.6297476  59516140459 753 3    58 652 3      C-13-H3C(O)CH3
  621932.0991  0.0049 -5.2271 3  650.6297476  59516140459 753 3    58 752 3      C-13-H3C(O)CH3
  621950.2949  0.0081 -4.1480 3  650.6565952 -59516140459 753 1    58 752 1      C-13-H3C(O)CH3
  621950.2949  0.0081 -3.6997 3  650.6565952 -59516140459 753 1    58 652 1      C-13-H3C(O)CH3
  621950.2949  0.0079 -5.4971 3  650.6562952 -59516140459 753 2    58 652 2      C-13-H3C(O)CH3
  621950.2949  0.0079 -3.5725 3  650.6562952 -59516140459 753 2    58 752 2      C-13-H3C(O)CH3
  621950.2949  0.0081 -3.6997 3  650.6565952 -59516140459 653 1    58 752 1      C-13-H3C(O)CH3
  621950.2949  0.0081 -4.1480 3  650.6565952 -59516140459 653 1    58 652 1      C-13-H3C(O)CH3
  621950.2949  0.0079 -3.5725 3  650.6562952 -59516140459 653 2    58 652 2      C-13-H3C(O)CH3
  621950.2949  0.0079 -5.4971 3  650.6562952 -59516140459 653 2    58 752 2      C-13-H3C(O)CH3
  621966.7445  0.0818 -5.4007 3 1084.9607C56  59516140478 573 0    78 574 0      C-13-H3C(O)CH3
  621966.7445  0.0818 -5.4007 3 1084.9607C56  59516140478 673 0    78 474 0      C-13-H3C(O)CH3
  621968.2228  0.0046 -4.0039 3  650.6830952 -59516140459 753 0    58 652 0      C-13-H3C(O)CH3
  621968.2228  0.0046 -3.7653 3  650.6830952 -59516140459 753 0    58 752 0      C-13-H3C(O)CH3
  621968.2228  0.0046 -4.0039 3  650.6830952 -59516140459 653 0    58 752 0      C-13-H3C(O)CH3
  621968.2228  0.0046 -3.7653 3  650.6830952 -59516140459 653 0    58 652 0      C-13-H3C(O)CH3
  621979.5272  0.0976 -5.2730 3  839.9511888  595161404553620 2    543718 2      C-13-H3C(O)CH3
  621995.0285  0.0078 -5.7165 3  121.9067360  5951614042215 8 1    211011 1      C-13-H3C(O)CH3
  622014.8821  0.0883 -6.2608 3  840.0425904  595161404563026 2    562729 2      C-13-H3C(O)CH3
  622018.7477  0.0659 -6.2604 3  840.0423904  595161404563026 1    562729 1      C-13-H3C(O)CH3
  622022.8526  0.0864 -5.1913 3  839.9271888  595161404553620 0    543717 0      C-13-H3C(O)CH3
  622043.4650  0.0628 -6.2609 3  840.0392904  595161404563026 0    562729 0      C-13-H3C(O)CH3
  622055.8694  0.0663 -5.7320 3 1037.9142620  59516140477 473 4    77 374 4      C-13-H3C(O)CH3
  622055.8694  0.0663 -5.7320 3 1037.9142620  59516140477 573 4    77 474 4      C-13-H3C(O)CH3
  622056.6774  0.0662 -5.7918 3 1037.9142620  59516140477 473 3    77 474 3      C-13-H3C(O)CH3
  622056.6774  0.0662 -5.7918 3 1037.9142620  59516140477 573 3    77 374 3      C-13-H3C(O)CH3
  622099.0151  0.0852 -5.2969 3  839.9453888  595161404553620 1    543718 1      C-13-H3C(O)CH3
  622217.4188  0.0072 -5.7111 3  121.9031360  5951614042215 8 2    211011 2      C-13-H3C(O)CH3
  622272.4932  0.1011 -5.2230 3  684.4352404  595161404503119 4    493218 4      C-13-H3C(O)CH3
  622337.4788  0.1379 -5.3968 3 1037.9326C40  59516140477 473 1    77 374 1      C-13-H3C(O)CH3
  622337.4788  0.1379 -5.3968 3 1037.9326C40  59516140477 573 1    77 474 1      C-13-H3C(O)CH3
  622338.8813  0.0053 -3.4565 3  312.1398260  5951614043229 4 4    3128 4 4      C-13-H3C(O)CH3
  622339.8027  0.0683 -5.7294 3  991.5115612  59516140476 473 4    76 374 4      C-13-H3C(O)CH3
  622339.8027  0.0683 -5.7294 3  991.5115612  59516140476 373 4    76 274 4      C-13-H3C(O)CH3
  622340.4794  0.0681 -5.7317 3  991.5115612  59516140476 473 3    76 274 3      C-13-H3C(O)CH3
  622340.4794  0.0681 -5.7236 3  991.5115612  59516140476 373 3    76 374 3      C-13-H3C(O)CH3
  622340.6369  0.1373 -5.4390 3 1037.9323C40  59516140477 573 2    77 374 2      C-13-H3C(O)CH3
  622340.6369  0.1373 -5.4390 3 1037.9323C40  59516140477 473 2    77 474 2      C-13-H3C(O)CH3
  622353.0607  0.0831 -6.2604 3  840.0425904  595161404563126 2    562829 2      C-13-H3C(O)CH3
  622357.5518  0.0655 -6.2600 3  840.0423904  595161404563126 1    562829 1      C-13-H3C(O)CH3
  622363.7886  0.0618 -6.2606 3  840.0392904  595161404563126 0    562829 0      C-13-H3C(O)CH3
  622380.2524  0.0041 -3.1554 3  312.2040520 -5951614043229 4 2    3128 3 2      C-13-H3C(O)CH3
  622398.1557  0.1122 -4.8635 3  684.4401808  595161404503119 2    493218 2      C-13-H3C(O)CH3
  622405.8612  0.0109 -5.0718 3  165.5940408  5951614042518 7 1    241510 1      C-13-H3C(O)CH3
  622407.4034  0.0043 -3.1554 3  312.1861520 -5951614043229 4 1    3128 4 1      C-13-H3C(O)CH3
  622422.5403  0.0074 -4.8461 3  165.5954408  5951614042518 7 0    241510 0      C-13-H3C(O)CH3
  622428.8578  0.0091 -6.3259 3  106.3077172  5951614042113 9 4    20 812 4      C-13-H3C(O)CH3
  622449.4988  0.0041 -3.1553 3  312.2503520 -5951614043229 3 0    3128 4 0      C-13-H3C(O)CH3
  622449.4988  0.0041 -3.1553 3  312.2503520 -5951614043229 4 0    3128 3 0      C-13-H3C(O)CH3
  622468.6193  0.0070 -6.3258 3  106.3077172  5951614042113 9 3    20 812 3      C-13-H3C(O)CH3
  622500.2684  0.0115 -5.0401 3  165.5911408  5951614042518 7 2    241510 2      C-13-H3C(O)CH3
  622526.1692  0.0053 -3.4562 3  312.1361260  5951614043229 4 3    3128 4 3      C-13-H3C(O)CH3
  622567.7478  0.0041 -3.1552 3  312.2002520 -5951614043229 3 2    3128 4 2      C-13-H3C(O)CH3
  622571.9667  0.0052 -3.4561 3  312.1538260  5951614043229 3 3    3128 3 3      C-13-H3C(O)CH3
  622574.0299  0.0879 -5.8663 3  945.6981604  59516140475 273 3    75 174 3      C-13-H3C(O)CH3
  622574.0299  0.0879 -5.8663 3  945.6981604  59516140475 373 3    75 274 3      C-13-H3C(O)CH3
  622574.0663  0.0883 -5.8482 3  945.6982604  59516140475 373 4    75 274 4      C-13-H3C(O)CH3
  622574.0663  0.0883 -5.8482 3  945.6982604  59516140475 273 4    75 174 4      C-13-H3C(O)CH3
  622597.2466  0.0117 -6.1964 3  467.4333696  595161404431924 0    431627 0      C-13-H3C(O)CH3
  622597.3259  0.0117 -6.1964 3  467.4333696  595161404432024 0    431727 0      C-13-H3C(O)CH3
  622614.3586  0.0692 -4.8448 3  684.4380808  595161404503119 1    493218 1      C-13-H3C(O)CH3
  622621.1660  0.0748 -6.1214 3 1037.9507C40  59516140477 573 0    77 474 0      C-13-H3C(O)CH3
  622621.1660  0.0748 -5.4854 3 1037.9507C40  59516140477 573 0    77 374 0      C-13-H3C(O)CH3
  622621.1660  0.0748 -5.4854 3 1037.9507C40  59516140477 473 0    77 474 0      C-13-H3C(O)CH3
  622621.1660  0.0748 -6.1214 3 1037.9507C40  59516140477 473 0    77 374 0      C-13-H3C(O)CH3
  622631.0846  0.0151 -5.4220 3  165.5891204  5951614042518 7 4    241510 4      C-13-H3C(O)CH3
  622640.6941  0.0042 -3.1550 3  312.2000520 -5951614043229 3 1    3128 3 1      C-13-H3C(O)CH3
  622669.1784  0.0070 -5.6995 3  121.8921360  5951614042215 8 0    211011 0      C-13-H3C(O)CH3
  622671.4609  0.0140 -6.1968 3  467.4050696  595161404431924 2    431627 2      C-13-H3C(O)CH3
  622671.5485  0.0140 -6.1968 3  467.4050696  595161404432024 2    431727 2      C-13-H3C(O)CH3
  622691.2949  0.0129 -6.1950 3  467.4064696  595161404431924 1    431627 1      C-13-H3C(O)CH3
  622691.3794  0.0129 -6.1950 3  467.4064696  595161404432024 1    431727 1      C-13-H3C(O)CH3
  622751.7202  0.1336 -6.1053 3  900.4762596  59516140474 273 3    74 074 3      C-13-H3C(O)CH3
  622751.7202  0.1336 -6.1053 3  900.4762596  59516140474 173 3    74 174 3      C-13-H3C(O)CH3
  622753.5521  0.1334 -6.2299 3  900.4762596  59516140474 273 4    74 174 4      C-13-H3C(O)CH3
  622753.5521  0.1334 -6.2299 3  900.4762596  59516140474 173 4    74 074 4      C-13-H3C(O)CH3
  622758.6469  0.0058 -3.4558 3  312.1500260  5951614043229 3 4    3128 3 4      C-13-H3C(O)CH3
  622776.3326  0.0069 -6.0229 3  106.2867344  5951614042113 9 2    20 812 2      C-13-H3C(O)CH3
  622799.3553  0.0068 -6.0230 3  106.2887344  5951614042113 9 1    20 812 1      C-13-H3C(O)CH3
  622822.8066  0.0843 -5.5224 3  840.0259444  595161404553619 4    543717 4      C-13-H3C(O)CH3
  622830.2988  0.0049 -3.6455 3  606.7244840  595161404521438 0    511437 0      C-13-H3C(O)CH3
  622830.2988  0.0049 -6.0633 3  606.7244840  595161404521538 0    511437 0      C-13-H3C(O)CH3
  622830.2988  0.0049 -6.0633 3  606.7244840  595161404521438 0    511537 0      C-13-H3C(O)CH3
  622830.2988  0.0049 -3.6455 3  606.7244840  595161404521538 0    511537 0      C-13-H3C(O)CH3
  622835.1572  0.1056 -6.1881 3  991.5126C24  59516140476 373 1    76 374 1      C-13-H3C(O)CH3
  622835.1572  0.1056 -5.5023 3  991.5126C24  59516140476 373 1    76 274 1      C-13-H3C(O)CH3
  622835.1572  0.1056 -6.1881 3  991.5126C24  59516140476 473 1    76 274 1      C-13-H3C(O)CH3
  622835.1572  0.1056 -5.5023 3  991.5126C24  59516140476 473 1    76 374 1      C-13-H3C(O)CH3
  622837.6748  0.1031 -5.4467 3  991.5122C24  59516140476 373 2    76 374 2      C-13-H3C(O)CH3
  622837.6748  0.1031 -5.4467 3  991.5122C24  59516140476 473 2    76 274 2      C-13-H3C(O)CH3
  622850.1535  0.0085 -4.5943 3  606.6987840  595161404521438 1    511537 1      C-13-H3C(O)CH3
  622850.1535  0.0085 -3.6954 3  606.6987840  595161404521538 1    511537 1      C-13-H3C(O)CH3
  622850.1535  0.0085 -4.5943 3  606.6987840  595161404521538 1    511437 1      C-13-H3C(O)CH3
  622850.1535  0.0085 -3.6954 3  606.6987840  595161404521438 1    511437 1      C-13-H3C(O)CH3
  622851.7216  0.0086 -4.3750 3  606.6982840  595161404521538 2    511537 2      C-13-H3C(O)CH3
  622851.7216  0.0086 -3.7330 3  606.6982840  595161404521538 2    511437 2      C-13-H3C(O)CH3
  622851.7216  0.0086 -3.7330 3  606.6982840  595161404521438 2    511537 2      C-13-H3C(O)CH3
  622851.7216  0.0086 -4.3750 3  606.6982840  595161404521438 2    511437 2      C-13-H3C(O)CH3
  622854.2962  0.0958 -5.7195 3 1027.9992968  595161404604318 0    594415 0      C-13-H3C(O)CH3
  622854.5737  0.0958 -5.7195 3 1027.9992968  595161404604317 0    594416 0      C-13-H3C(O)CH3
  622868.6496  0.0897 -5.7195 3 1028.0506968  595161404604317 2    594415 2      C-13-H3C(O)CH3
  622871.6114  0.0078 -3.9755 3  606.6725420  595161404521438 3    511537 3      C-13-H3C(O)CH3
  622871.6114  0.0078 -3.9755 3  606.6725420  595161404521538 3    511437 3      C-13-H3C(O)CH3
  622871.6114  0.0078 -5.1104 3  606.6725420  595161404521538 3    511537 3      C-13-H3C(O)CH3
  622871.6114  0.0078 -5.1104 3  606.6725420  595161404521438 3    511437 3      C-13-H3C(O)CH3
  622871.6137  0.0078 -3.9461 3  606.6724420  595161404521438 4    511437 4      C-13-H3C(O)CH3
  622871.6137  0.0078 -3.9461 3  606.6724420  595161404521538 4    511537 4      C-13-H3C(O)CH3
  622881.0246  0.1181 -5.8396 3  840.0011444  595161404553619 3    543717 3      C-13-H3C(O)CH3
  622901.8810  0.0064 -3.8316 3  490.0881696 -595161404432420 0    422319 0      C-13-H3C(O)CH3
  622921.7585  0.0868 -5.2718 3  839.9819888  595161404553619 2    543717 2      C-13-H3C(O)CH3
  622951.8199  0.0068 -3.8317 3  490.0668696  595161404432420 1    422319 1      C-13-H3C(O)CH3
  622968.6158  0.0943 -5.7876 3  948.6542468  595161404584019 4    574117 4      C-13-H3C(O)CH3
  622974.5239  0.0978 -5.7194 3 1028.0406968  595161404604317 1    594415 1      C-13-H3C(O)CH3
  622989.3433  0.0926 -6.0204 3 1028.0921484  595161404604317 4    594415 4      C-13-H3C(O)CH3
  623013.0406  0.0971 -5.4869 3  948.6169936  595161404584019 2    574117 2      C-13-H3C(O)CH3
  623025.4627  0.0068 -3.8318 3  490.0601696  595161404432420 2    422319 2      C-13-H3C(O)CH3
  623044.4056  0.0755 -4.8176 3  684.4341808  595161404503119 0    493218 0      C-13-H3C(O)CH3
  623061.8804  0.0044 -3.8892 3  656.2464484 -59516140460 555 4    59 654 4      C-13-H3C(O)CH3
  623061.8804  0.0044 -5.5967 3  656.2464484 -59516140460 555 3    59 654 3      C-13-H3C(O)CH3
  623061.8804  0.0044 -5.5967 3  656.2464484 -59516140460 655 3    59 554 3      C-13-H3C(O)CH3
  623061.8804  0.0044 -5.0496 3  656.2464484 -59516140460 655 4    59 654 4      C-13-H3C(O)CH3
  623061.8855  0.0044 -5.0496 3  656.2464484  59516140460 555 4    59 554 4      C-13-H3C(O)CH3
  623061.8855  0.0044 -3.8892 3  656.2464484  59516140460 655 4    59 554 4      C-13-H3C(O)CH3
  623061.9347  0.0044 -3.8682 3  656.2464484  59516140460 555 3    59 554 3      C-13-H3C(O)CH3
  623061.9347  0.0044 -3.8682 3  656.2464484  59516140460 655 3    59 654 3      C-13-H3C(O)CH3
  623063.4999  0.1116 -5.7473 3  839.9950444  595161404553619 3    543718 3      C-13-H3C(O)CH3
  623068.4340  0.0987 -5.2955 3  839.9703888  595161404553619 1    543717 1      C-13-H3C(O)CH3
  623073.6721  0.0066 -4.1329 3  490.0388348  595161404432420 4    422319 4      C-13-H3C(O)CH3
  623076.7632  0.0072 -4.1329 3  490.0388348  595161404432420 3    422319 3      C-13-H3C(O)CH3
  623084.5885  0.0068 -3.9192 3  656.2689968  59516140460 555 1    59 654 1      C-13-H3C(O)CH3
  623084.5885  0.0068 -3.8083 3  656.2689968  59516140460 655 1    59 654 1      C-13-H3C(O)CH3
  623084.8534  0.0068 -3.8083 3  656.2689968 -59516140460 555 1    59 554 1      C-13-H3C(O)CH3
  623084.8534  0.0068 -3.9192 3  656.2689968 -59516140460 655 1    59 554 1      C-13-H3C(O)CH3
  623084.8534  0.0066 -3.6026 3  656.2686968 -59516140460 655 2    59 554 2      C-13-H3C(O)CH3
  623084.8534  0.0066 -3.6026 3  656.2686968 -59516140460 555 2    59 654 2      C-13-H3C(O)CH3
  623084.8882  0.0066 -4.5812 3  656.2686968  59516140460 655 2    59 654 2      C-13-H3C(O)CH3
  623084.8882  0.0066 -4.5812 3  656.2686968  59516140460 555 2    59 554 2      C-13-H3C(O)CH3
  623107.4803  0.0043 -3.7719 3  656.2910968 -59516140460 555 0    59 554 0      C-13-H3C(O)CH3
  623107.4803  0.0043 -3.9713 3  656.2910968 -59516140460 655 0    59 554 0      C-13-H3C(O)CH3
  623107.5206  0.0043 -3.9713 3  656.2910968  59516140460 555 0    59 654 0      C-13-H3C(O)CH3
  623107.5206  0.0043 -3.7719 3  656.2910968  59516140460 655 0    59 654 0      C-13-H3C(O)CH3
  623112.8852  0.0871 -5.7193 3 1028.0247968  595161404604318 1    594416 1      C-13-H3C(O)CH3
  623125.8217  0.0070 -6.0208 3  106.2679344  5951614042113 9 0    20 812 0      C-13-H3C(O)CH3
  623126.8819  0.0892 -6.0205 3 1028.0761484  595161404604318 3    594415 3      C-13-H3C(O)CH3
  623146.9887  0.0838 -5.7195 3 1028.0302968  595161404604318 2    594416 2      C-13-H3C(O)CH3
  623151.3422  0.1071 -5.4870 3  948.6078936  595161404584019 1    574117 1      C-13-H3C(O)CH3
  623189.1194  0.1070 -5.4865 3  948.5705936  595161404584019 0    574116 0      C-13-H3C(O)CH3
  623205.8576  0.1070 -5.4865 3  948.5705936  595161404584018 0    574117 0      C-13-H3C(O)CH3
  623218.3541  0.0204 -4.2426 3  494.4722348  595161404432419 3    422518 3      C-13-H3C(O)CH3
  623229.4050  0.0207 -4.2426 3  494.4719348  595161404432419 4    422518 4      C-13-H3C(O)CH3
  623239.6100  0.0872 -5.7889 3  948.6550468  595161404584019 3    574116 3      C-13-H3C(O)CH3
  623255.0511  0.3736 -6.3172 3 1782.7841E80  595161404921874 1    921875 1      C-13-H3C(O)CH3
  623255.0511  0.3736 -6.3172 3 1782.7841E80  595161404921974 1    921775 1      C-13-H3C(O)CH3
  623255.8364  0.3164 -6.3219 3 1782.7617E80  595161404921874 0    921875 0      C-13-H3C(O)CH3
  623255.8364  0.3164 -6.3219 3 1782.7617E80  595161404921974 0    921775 0      C-13-H3C(O)CH3
  623267.3207  0.0905 -6.0206 3 1028.0716484  595161404604317 3    594416 3      C-13-H3C(O)CH3
  623298.7056  0.0216 -3.9410 3  494.4905696  595161404432419 2    422518 2      C-13-H3C(O)CH3
  623331.7522  0.0670 -6.2889 3  991.5134C24  59516140476 373 0    76 374 0      C-13-H3C(O)CH3
  623331.7522  0.0670 -5.4831 3  991.5134C24  59516140476 473 0    76 374 0      C-13-H3C(O)CH3
  623331.7522  0.0670 -5.4392 3  991.5134C24  59516140476 373 0    76 274 0      C-13-H3C(O)CH3
  623334.3544  0.1445 -6.0925 3  655.5460396  595161404493019 4    483117 4      C-13-H3C(O)CH3
  623342.3397  0.1256 -5.6724 3  945.6724C08  59516140475 273 2    75 274 2      C-13-H3C(O)CH3
  623342.3397  0.1256 -5.6724 3  945.6724C08  59516140475 373 2    75 174 2      C-13-H3C(O)CH3
  623342.3397  0.1256 -5.9801 3  945.6724C08  59516140475 273 2    75 174 2      C-13-H3C(O)CH3
  623342.3397  0.1256 -5.9801 3  945.6724C08  59516140475 373 2    75 274 2      C-13-H3C(O)CH3
  623342.6875  0.1287 -5.7159 3  945.6728C08  59516140475 273 1    75 174 1      C-13-H3C(O)CH3
  623342.6875  0.1287 -5.9036 3  945.6728C08  59516140475 373 1    75 174 1      C-13-H3C(O)CH3
  623342.6875  0.1287 -5.7159 3  945.6728C08  59516140475 373 1    75 274 1      C-13-H3C(O)CH3
  623342.6875  0.1287 -5.9036 3  945.6728C08  59516140475 273 1    75 274 1      C-13-H3C(O)CH3
  623348.9638  0.0748 -5.7890 3  948.6547468  595161404584018 3    574117 3      C-13-H3C(O)CH3
  623394.2205  0.0882 -5.4868 3  948.6174936  595161404584018 2    574116 2      C-13-H3C(O)CH3
  623399.6402  0.0123 -3.9401 3  494.4952696  595161404432419 1    422518 1      C-13-H3C(O)CH3
  623406.5389  0.0951 -6.0204 3 1028.0557484  595161404604318 4    594416 4      C-13-H3C(O)CH3
  623424.9650  0.1029 -5.4868 3  948.6086936  595161404584018 1    574116 1      C-13-H3C(O)CH3
  623442.1658  0.0898 -5.1889 3  839.9254888  595161404553619 0    543718 0      C-13-H3C(O)CH3
  623450.9730  0.0112 -3.9698 3  251.3866504  595161404311813 2    301714 2      C-13-H3C(O)CH3
  623474.7773  0.0143 -3.9396 3  494.5135696  595161404432419 0    422518 0      C-13-H3C(O)CH3
  623587.2143  0.0094 -3.9701 3  251.4072504  595161404311813 0    301714 0      C-13-H3C(O)CH3
  623619.9001  0.0146 -4.2710 3  251.3716252  595161404311813 3    301714 3      C-13-H3C(O)CH3
  623621.9513  0.0843 -5.7873 3  948.6556468  595161404584018 4    574116 4      C-13-H3C(O)CH3
  623629.1321  0.0141 -4.2710 3  251.3715252  595161404311813 4    301714 4      C-13-H3C(O)CH3
  623756.1402  0.0115 -3.9703 3  251.3921504  595161404311813 1    301714 1      C-13-H3C(O)CH3
  623765.0104  0.0131 -4.5390 3  222.2665236  595161404291911 4    281612 4      C-13-H3C(O)CH3
  623813.0706  0.0136 -4.5378 3  222.2660236  595161404291911 3    281612 3      C-13-H3C(O)CH3
  623815.2286  0.1188 -5.8519 3  839.9453888  595161404553619 1    543718 1      C-13-H3C(O)CH3
  623832.3598  0.3155 -6.2530 3 1727.6783E64  595161404911774 0    911775 0      C-13-H3C(O)CH3
  623832.3598  0.3155 -6.2530 3 1727.6783E64  595161404911874 0    911675 0      C-13-H3C(O)CH3
  623843.2601  0.0121 -4.2373 3  222.2825472  595161404291911 1    281612 1      C-13-H3C(O)CH3
  623843.5450  0.1184 -5.9505 3  839.9511888  595161404553619 2    543718 2      C-13-H3C(O)CH3
  623851.9639  0.0050 -3.6946 3  616.7271856  595161404531340 0    521339 0      C-13-H3C(O)CH3
  623851.9639  0.0050 -3.6946 3  616.7271856  595161404531440 0    521439 0      C-13-H3C(O)CH3
  623852.0027  0.0050 -4.5409 3  616.7271856 -595161404531340 0    521439 0      C-13-H3C(O)CH3
  623852.0027  0.0050 -4.5409 3  616.7271856 -595161404531440 0    521339 0      C-13-H3C(O)CH3
  623857.3299  0.2654 -5.8913 3  900.4130B92  59516140474 173 2    74 074 2      C-13-H3C(O)CH3
  623857.3299  0.2654 -5.8913 3  900.4130B92  59516140474 273 2    74 174 2      C-13-H3C(O)CH3
  623857.3299  0.2654 -6.1544 3  900.4130B92  59516140474 173 2    74 174 2      C-13-H3C(O)CH3
  623857.3299  0.2654 -6.1544 3  900.4130B92  59516140474 273 2    74 074 2      C-13-H3C(O)CH3
  623862.7961  0.0046 -3.5423 3  316.6175268  5951614043327 7 4    3226 6 4      C-13-H3C(O)CH3
  623863.9288  0.2640 -5.7162 3  900.4132B92  59516140474 273 1    74 174 1      C-13-H3C(O)CH3
  623863.9288  0.2640 -5.7162 3  900.4132B92  59516140474 173 1    74 074 1      C-13-H3C(O)CH3
  623868.4273  0.0091 -5.1213 3  616.7003856 -595161404531340 1    521339 1      C-13-H3C(O)CH3
  623868.4273  0.0091 -3.6511 3  616.7003856 -595161404531340 1    521439 1      C-13-H3C(O)CH3
  623868.4273  0.0091 -5.1213 3  616.7003856 -595161404531440 1    521439 1      C-13-H3C(O)CH3
  623868.4273  0.0091 -3.6511 3  616.7003856 -595161404531440 1    521339 1      C-13-H3C(O)CH3
  623869.8419  0.0091 -3.6371 3  616.6998856 -595161404531440 2    521439 2      C-13-H3C(O)CH3
  623869.8419  0.0091 -3.6371 3  616.6998856 -595161404531340 2    521339 2      C-13-H3C(O)CH3
  623870.8520  0.3744 -6.2574 3 1727.7006E64  595161404911774 2    911675 2      C-13-H3C(O)CH3
  623870.8520  0.3744 -6.2574 3 1727.7006E64  595161404911874 2    911775 2      C-13-H3C(O)CH3
  623886.4450  0.0077 -4.2083 3  616.6729428  595161404531340 4    521339 4      C-13-H3C(O)CH3
  623886.4450  0.0077 -4.2713 3  616.6729428  595161404531340 4    521439 4      C-13-H3C(O)CH3
  623886.4450  0.0077 -3.9378 3  616.6729428  595161404531440 4    521339 4      C-13-H3C(O)CH3
  623886.4506  0.0077 -4.2278 3  616.6729428  595161404531440 3    521439 3      C-13-H3C(O)CH3
  623886.4506  0.0077 -4.2498 3  616.6729428  595161404531440 3    521339 3      C-13-H3C(O)CH3
  623886.4506  0.0077 -4.2498 3  616.6729428  595161404531340 3    521439 3      C-13-H3C(O)CH3
  623886.4506  0.0077 -4.2278 3  616.6729428  595161404531340 3    521339 3      C-13-H3C(O)CH3
  623910.1274  0.0039 -3.2411 3  316.6454536 -5951614043327 7 1    3226 6 1      C-13-H3C(O)CH3
  623935.2193  0.0038 -3.2411 3  316.6626536 -5951614043327 6 2    3226 6 2      C-13-H3C(O)CH3
  623982.8941  0.0034 -3.2409 3  316.6903536 -5951614043327 7 0    3226 6 0      C-13-H3C(O)CH3
  623982.8941  0.0034 -3.2409 3  316.6903536 -5951614043327 6 0    3226 7 0      C-13-H3C(O)CH3
  624001.3078  0.0044 -3.5422 3  316.6124268  5951614043327 7 3    3226 7 3      C-13-H3C(O)CH3
  624066.9973  0.0043 -3.5419 3  316.6161268  5951614043327 6 3    3226 6 3      C-13-H3C(O)CH3
  624073.1614  0.0036 -3.2410 3  316.6574536 -5951614043327 7 2    3226 7 2      C-13-H3C(O)CH3
  624109.7052  0.0958 -5.5280 3  945.6472C08  59516140475 273 0    75 274 0      C-13-H3C(O)CH3
  624109.7052  0.0958 -5.5420 3  945.6472C08  59516140475 373 0    75 174 0      C-13-H3C(O)CH3
  624113.6927  0.0035 -3.2408 3  316.6439536 -5951614043327 6 1    3226 7 1      C-13-H3C(O)CH3
  624120.4797  0.1342 -6.2087 3  655.5361792  595161404493019 2    483117 2      C-13-H3C(O)CH3
  624200.9461  0.0040 -3.8835 3  661.3277492  59516140461 457 4    60 556 4      C-13-H3C(O)CH3
  624200.9461  0.0040 -5.0010 3  661.3277492  59516140461 557 4    60 556 4      C-13-H3C(O)CH3
  624200.9737  0.0040 -5.6120 3  661.3277492 -59516140461 557 3    60 456 3      C-13-H3C(O)CH3
  624200.9737  0.0040 -3.8835 3  661.3277492 -59516140461 557 4    60 456 4      C-13-H3C(O)CH3
  624200.9737  0.0040 -5.0010 3  661.3277492 -59516140461 457 4    60 456 4      C-13-H3C(O)CH3
  624200.9737  0.0040 -3.8592 3  661.3277492 -59516140461 457 3    60 456 3      C-13-H3C(O)CH3
  624200.9834  0.0040 -3.8592 3  661.3277492  59516140461 557 3    60 556 3      C-13-H3C(O)CH3
  624200.9834  0.0040 -5.6120 3  661.3277492  59516140461 457 3    60 556 3      C-13-H3C(O)CH3
  624204.5853  0.0046 -3.5418 3  316.6110268  5951614043327 6 4    3226 7 4      C-13-H3C(O)CH3
  624227.2416  0.0057 -3.5738 3  661.3432984  59516140461 457 1    60 456 1      C-13-H3C(O)CH3
  624227.2416  0.0057 -4.8333 3  661.3432984  59516140461 557 1    60 456 1      C-13-H3C(O)CH3
  624227.4142  0.0057 -3.5738 3  661.3432984 -59516140461 557 1    60 556 1      C-13-H3C(O)CH3
  624227.4142  0.0055 -4.3344 3  661.3429984 -59516140461 557 2    60 456 2      C-13-H3C(O)CH3
  624227.4142  0.0057 -4.8333 3  661.3432984 -59516140461 457 1    60 556 1      C-13-H3C(O)CH3
  624227.4142  0.0055 -3.6286 3  661.3429984 -59516140461 457 2    60 456 2      C-13-H3C(O)CH3
  624227.4329  0.0055 -3.6286 3  661.3429984  59516140461 557 2    60 556 2      C-13-H3C(O)CH3
  624227.4329  0.0055 -4.3344 3  661.3429984  59516140461 457 2    60 556 2      C-13-H3C(O)CH3
  624253.5855  0.0041 -5.2997 3  661.3583984 -59516140461 557 0    60 456 0      C-13-H3C(O)CH3
  624253.5855  0.0041 -3.5584 3  661.3583984 -59516140461 457 0    60 456 0      C-13-H3C(O)CH3
  624253.6593  0.0041 -3.5849 3  661.3583984  59516140461 557 0    60 556 0      C-13-H3C(O)CH3
  624253.6593  0.0041 -4.6700 3  661.3583984  59516140461 457 0    60 556 0      C-13-H3C(O)CH3
  624276.8835  0.0113 -4.2396 3  222.2689472  595161404291911 2    281612 2      C-13-H3C(O)CH3
  624322.3272  0.0113 -4.2394 3  222.2852472  595161404291911 0    281612 0      C-13-H3C(O)CH3
  624391.3408  0.3071 -6.2853 3 1673.1675E48  595161404901774 0    901675 0      C-13-H3C(O)CH3
  624391.3408  0.3071 -6.2853 3 1673.1675E48  595161404901674 0    901575 0      C-13-H3C(O)CH3
  624401.7472  0.0193 -4.7949 3  208.0575228  595161404281910 4    271611 4      C-13-H3C(O)CH3
  624456.7084  0.3735 -6.1375 3 1673.1871E48  595161404901774 2    901575 2      C-13-H3C(O)CH3
  624456.7084  0.3735 -6.1375 3 1673.1871E48  595161404901674 2    901675 2      C-13-H3C(O)CH3
  624495.1985  0.0218 -6.1643 3  656.6242808  595161404502525 0    502228 0      C-13-H3C(O)CH3
  624498.8270  0.0376 -5.8403 3  322.9917276  595161404342510 3    3324 9 3      C-13-H3C(O)CH3
  624507.0180  0.0218 -6.1643 3  656.6242808  595161404502625 0    502328 0      C-13-H3C(O)CH3
  624507.9018  0.0162 -6.3132 3  124.5195180  5951614042216 7 4    211110 4      C-13-H3C(O)CH3
  624578.4528  0.0334 -6.1642 3  656.6111808  595161404502525 2    502228 2      C-13-H3C(O)CH3
  624591.2059  0.0332 -6.1642 3  656.6111808  595161404502625 2    502328 2      C-13-H3C(O)CH3
  624593.1183  0.0241 -6.1633 3  656.6121808  595161404502525 1    502228 1      C-13-H3C(O)CH3
  624596.5329  0.0146 -4.7651 3  208.0572228  595161404281910 3    271611 3      C-13-H3C(O)CH3
  624605.7176  0.0241 -6.1633 3  656.6121808  595161404502625 1    502328 1      C-13-H3C(O)CH3
  624633.9065  0.0313 -4.8515 3  323.0206552  595161404342510 2    3324 9 2      C-13-H3C(O)CH3
  624637.0899  0.0211 -4.6498 3  323.0098552  595161404342510 1    3324 9 1      C-13-H3C(O)CH3
  624660.7684  0.0139 -4.4771 3  208.0697456  595161404281910 1    271611 1      C-13-H3C(O)CH3
  624665.2533  0.0050 -3.6687 3  322.9878276  595161404342510 4    3324 9 4      C-13-H3C(O)CH3
  624689.8896  0.0041 -3.3828 3  323.0098552 -5951614043425 9 1    3324 9 1      C-13-H3C(O)CH3
  624728.2188  0.0072 -4.6918 3  145.3009212  59516140426 818 4    25 719 4      C-13-H3C(O)CH3
  624728.2193  0.0072 -4.6918 3  145.3009212  59516140426 918 4    25 619 4      C-13-H3C(O)CH3
  624728.3887  0.0056 -4.6918 3  145.3009212  59516140426 818 3    25 719 3      C-13-H3C(O)CH3
  624728.3892  0.0056 -4.6918 3  145.3009212  59516140426 918 3    25 619 3      C-13-H3C(O)CH3
  624744.7901  0.0037 -6.0708 3  331.6471284  595161404352313 4    342213 4      C-13-H3C(O)CH3
  624749.6895  0.0040 -5.8806 3  331.6470284  595161404352313 3    342213 3      C-13-H3C(O)CH3
  624751.4212  0.0036 -3.3596 3  323.0389552 -595161404342510 0    3324 9 0      C-13-H3C(O)CH3
  624759.0346  0.0043 -3.3737 3  323.0164552 -595161404342510 2    332410 2      C-13-H3C(O)CH3
  624766.6299  0.0037 -5.6503 3  331.6690568  595161404352313 2    342213 2      C-13-H3C(O)CH3
  624773.5875  0.0375 -5.4099 3  322.9842276  595161404342510 4    332410 4      C-13-H3C(O)CH3
  624780.9666  0.0046 -3.6640 3  322.9917276  5951614043425 9 3    3324 9 3      C-13-H3C(O)CH3
  624802.9203  0.0036 -3.3595 3  323.0377552  5951614043425 9 0    332410 0      C-13-H3C(O)CH3
  624839.4123  0.0044 -3.6636 3  322.9803276  595161404342510 3    332410 3      C-13-H3C(O)CH3
  624846.8685  0.0387 -5.4103 3  322.9878276  5951614043425 9 4    3324 9 4      C-13-H3C(O)CH3
  624859.4049  0.0034 -3.3826 3  323.0024552 -595161404342510 1    332410 1      C-13-H3C(O)CH3
  624865.9448  0.0042 -3.3739 3  323.0206552  5951614043425 9 2    3324 9 2      C-13-H3C(O)CH3
  624900.3840  0.0050 -4.0919 3  626.1779872 -595161404541342 0    531341 0      C-13-H3C(O)CH3
  624900.3840  0.0050 -4.0919 3  626.1779872 -595161404541242 0    531241 0      C-13-H3C(O)CH3
  624900.3840  0.0050 -3.8139 3  626.1779872 -595161404541342 0    531241 0      C-13-H3C(O)CH3
  624900.3840  0.0050 -3.8139 3  626.1779872 -595161404541242 0    531341 0      C-13-H3C(O)CH3
  624903.1036  0.0853 -5.9601 3 1111.2606A00  595161404624617 0    614714 0      C-13-H3C(O)CH3
  624903.1070  0.0853 -5.9601 3 1111.2606A00  595161404624616 0    614715 0      C-13-H3C(O)CH3
  624912.1546  0.0205 -4.6494 3  323.0024552  5951614043425 9 1    332410 1      C-13-H3C(O)CH3
  624913.2477  0.0096 -3.7343 3  626.1499872  595161404541242 1    531341 1      C-13-H3C(O)CH3
  624913.2477  0.0096 -4.3002 3  626.1499872  595161404541242 1    531241 1      C-13-H3C(O)CH3
  624913.2477  0.0096 -3.7343 3  626.1499872  595161404541342 1    531241 1      C-13-H3C(O)CH3
  624913.2477  0.0096 -4.3002 3  626.1499872  595161404541342 1    531341 1      C-13-H3C(O)CH3
  624914.2768  0.0096 -3.6508 3  626.1494872  595161404541242 2    531241 2      C-13-H3C(O)CH3
  624914.2768  0.0096 -4.9582 3  626.1494872  595161404541242 2    531341 2      C-13-H3C(O)CH3
  624914.2768  0.0096 -3.6508 3  626.1494872  595161404541342 2    531341 2      C-13-H3C(O)CH3
  624914.2768  0.0096 -4.9582 3  626.1494872  595161404541342 2    531241 2      C-13-H3C(O)CH3
  624927.1655  0.0075 -4.1951 3  626.1213436  595161404541242 4    531341 4      C-13-H3C(O)CH3
  624927.1655  0.0075 -4.2721 3  626.1213436  595161404541242 4    531241 4      C-13-H3C(O)CH3
  624927.1655  0.0075 -3.9861 3  626.1213436  595161404541342 4    531241 4      C-13-H3C(O)CH3
  624927.1655  0.0075 -4.8537 3  626.1213436  595161404541342 4    531341 4      C-13-H3C(O)CH3
  624927.1797  0.0075 -3.9557 3  626.1214436  595161404541242 3    531341 3      C-13-H3C(O)CH3
  624927.1797  0.0075 -5.1867 3  626.1214436  595161404541242 3    531241 3      C-13-H3C(O)CH3
  624927.1797  0.0075 -5.1867 3  626.1214436  595161404541342 3    531341 3      C-13-H3C(O)CH3
  624927.1797  0.0075 -3.9557 3  626.1214436  595161404541342 3    531241 3      C-13-H3C(O)CH3
  624934.4900  0.2906 -6.2254 3 1619.2304E32  595161404891674 0    891575 0      C-13-H3C(O)CH3
  624934.4900  0.2906 -6.2254 3 1619.2304E32  595161404891574 0    891475 0      C-13-H3C(O)CH3
  624955.2027  0.0048 -3.6687 3  322.9842276  5951614043425 9 4    332410 4      C-13-H3C(O)CH3
  624966.8606  0.1837 -5.8063 3  900.3502B92  59516140474 173 0    74 074 0      C-13-H3C(O)CH3
  624966.8606  0.1837 -5.8063 3  900.3502B92  59516140474 273 0    74 174 0      C-13-H3C(O)CH3
  624991.1225  0.0321 -4.8513 3  323.0164552  5951614043425 9 2    332410 2      C-13-H3C(O)CH3
  625019.1085  0.3609 -6.2611 3 1619.2458E32  595161404891674 1    891475 1      C-13-H3C(O)CH3
  625019.1085  0.3609 -6.2611 3 1619.2458E32  595161404891574 1    891575 1      C-13-H3C(O)CH3
  625027.6479  0.3588 -6.1943 3 1619.2460E32  595161404891574 2    891575 2      C-13-H3C(O)CH3
  625027.6479  0.3588 -6.1943 3 1619.2460E32  595161404891674 2    891475 2      C-13-H3C(O)CH3
  625064.1369  0.0967 -5.9602 3 1111.3081A00  595161404624616 2    614714 2      C-13-H3C(O)CH3
  625069.3294  0.0052 -4.3901 3  145.2845424  59516140426 818 2    25 719 2      C-13-H3C(O)CH3
  625069.3300  0.0052 -4.3901 3  145.2845424  59516140426 918 2    25 619 2      C-13-H3C(O)CH3
  625076.5909  0.1645 -5.4451 3  770.1741428  595161404533321 4    523418 4      C-13-H3C(O)CH3
  625082.5391  0.0053 -4.3902 3  145.2855424  59516140426 818 1    25 719 1      C-13-H3C(O)CH3
  625082.5396  0.0053 -4.3902 3  145.2855424  59516140426 918 1    25 619 1      C-13-H3C(O)CH3
  625103.8235  0.0877 -5.9601 3 1111.2709A00  595161404624617 1    614715 1      C-13-H3C(O)CH3
  625115.4170  0.0906 -5.9601 3 1111.2989A00  595161404624616 1    614714 1      C-13-H3C(O)CH3
  625121.5518  0.0379 -5.8397 3  322.9803276  5951614043425 9 3    332410 3      C-13-H3C(O)CH3
  625198.9244  0.0856 -5.9602 3 1111.2726A00  595161404624617 2    614715 2      C-13-H3C(O)CH3
  625265.0902  0.1149 -6.2612 3 1111.3184500  595161404624616 3    614714 3      C-13-H3C(O)CH3
  625270.9077  0.0327 -5.2081 3  791.8230872  595161404543223 0    533320 0      C-13-H3C(O)CH3
  625277.0322  0.1192 -6.2612 3 1111.3465500  595161404624616 4    614714 4      C-13-H3C(O)CH3
  625282.2770  0.0127 -4.4675 3  208.0547456  595161404281910 2    271611 2      C-13-H3C(O)CH3
  625349.5321  0.0037 -4.4252 3  665.8752500  59516140462 459 4    61 458 4      C-13-H3C(O)CH3
  625349.5321  0.0037 -3.9741 3  665.8752500  59516140462 359 4    61 458 4      C-13-H3C(O)CH3
  625349.5505  0.0037 -4.3322 3  665.8752500  59516140462 459 3    61 358 3      C-13-H3C(O)CH3
  625349.5505  0.0037 -4.0124 3  665.8752500  59516140462 359 3    61 358 3      C-13-H3C(O)CH3
  625349.5860  0.0037 -3.9741 3  665.8752500 -59516140462 459 4    61 358 4      C-13-H3C(O)CH3
  625349.5860  0.0037 -4.0124 3  665.8752500 -59516140462 459 3    61 458 3      C-13-H3C(O)CH3
  625349.5860  0.0037 -4.3322 3  665.8752500 -59516140462 359 3    61 458 3      C-13-H3C(O)CH3
  625349.5860  0.0037 -4.4252 3  665.8752500 -59516140462 359 4    61 358 4      C-13-H3C(O)CH3
  625377.3420  0.0055 -3.9195 3  665.8801A00  59516140462 359 1    61 458 1      C-13-H3C(O)CH3
  625377.3420  0.0055 -3.7772 3  665.8801A00  59516140462 459 1    61 458 1      C-13-H3C(O)CH3
  625377.4150  0.0054 -3.5537 3  665.8797A00  59516140462 359 2    61 458 2      C-13-H3C(O)CH3
  625377.4150  0.0054 -5.0965 3  665.8797A00  59516140462 459 2    61 458 2      C-13-H3C(O)CH3
  625377.4760  0.0054 -5.0965 3  665.8797A00 -59516140462 359 2    61 358 2      C-13-H3C(O)CH3
  625377.4760  0.0055 -3.7772 3  665.8801A00 -59516140462 359 1    61 358 1      C-13-H3C(O)CH3
  625377.4760  0.0055 -3.9195 3  665.8801A00 -59516140462 459 1    61 358 1      C-13-H3C(O)CH3
  625377.4760  0.0054 -3.5537 3  665.8797A00 -59516140462 459 2    61 358 2      C-13-H3C(O)CH3
  625378.3974  0.0340 -5.2042 3  791.8200872  595161404543223 1    533320 1      C-13-H3C(O)CH3
  625401.1092  0.1079 -6.2612 3 1111.2829500  595161404624617 4    614715 4      C-13-H3C(O)CH3
  625405.1554  0.0041 -3.7293 3  665.8846A00 -59516140462 459 0    61 358 0      C-13-H3C(O)CH3
  625405.1554  0.0041 -3.9960 3  665.8846A00 -59516140462 359 0    61 358 0      C-13-H3C(O)CH3
  625405.1633  0.0041 -3.9960 3  665.8846A00  59516140462 459 0    61 458 0      C-13-H3C(O)CH3
  625405.1633  0.0041 -3.7293 3  665.8846A00  59516140462 359 0    61 458 0      C-13-H3C(O)CH3
  625411.9965  0.1082 -6.2612 3 1111.3109500  595161404624617 3    614715 3      C-13-H3C(O)CH3
  625415.1876  0.0351 -5.2031 3  791.8177872  595161404543223 2    533320 2      C-13-H3C(O)CH3
  625422.7707  0.0052 -4.3894 3  145.2692424  59516140426 818 0    25 719 0      C-13-H3C(O)CH3
  625422.7712  0.0052 -4.3894 3  145.2692424  59516140426 918 0    25 619 0      C-13-H3C(O)CH3
  625438.0870  0.0127 -4.4633 3  208.0672456  595161404281910 0    271611 0      C-13-H3C(O)CH3
  625463.9832  0.2662 -6.0555 3 1565.8676E16  595161404881574 0    881375 0      C-13-H3C(O)CH3
  625463.9832  0.2662 -6.0555 3 1565.8676E16  595161404881474 0    881475 0      C-13-H3C(O)CH3
  625465.1000  0.0368 -5.5016 3  791.8165436  595161404543223 4    533320 4      C-13-H3C(O)CH3
  625563.6806  0.0391 -5.4992 3  791.8135436  595161404543223 3    533320 3      C-13-H3C(O)CH3
  625578.4534  0.3301 -6.1356 3 1565.8783E16  595161404881574 1    881375 1      C-13-H3C(O)CH3
  625578.4534  0.3301 -6.0288 3 1565.8783E16  595161404881474 1    881475 1      C-13-H3C(O)CH3
  625584.5443  0.3306 -5.9663 3 1565.8783E16  595161404881474 2    881475 2      C-13-H3C(O)CH3
  625584.5443  0.3306 -5.9663 3 1565.8783E16  595161404881574 2    881375 2      C-13-H3C(O)CH3
  625684.5676  0.0124 -5.9855 3  124.5091360  5951614042216 7 1    211110 1      C-13-H3C(O)CH3
  625844.2239  0.0120 -6.1394 3  124.5190180  5951614042216 7 3    211110 3      C-13-H3C(O)CH3
  625849.0590  0.0109 -6.2274 3  441.6532680  595161404421824 0    421527 0      C-13-H3C(O)CH3
  625849.0830  0.0109 -6.2274 3  441.6532680  595161404421924 0    421627 0      C-13-H3C(O)CH3
  625856.2086  0.1221 -5.0675 3  770.1421856  595161404533321 2    523418 2      C-13-H3C(O)CH3
  625865.2589  0.0908 -5.3073 3  770.1507428  595161404533321 3    523418 3      C-13-H3C(O)CH3
  625903.9390  0.0129 -6.2278 3  441.6241680  595161404421824 2    421527 2      C-13-H3C(O)CH3
  625903.9658  0.0129 -6.2278 3  441.6241680  595161404421924 2    421627 2      C-13-H3C(O)CH3
  625923.5915  0.0123 -6.2259 3  441.6255680  595161404421824 1    421527 1      C-13-H3C(O)CH3
  625923.6172  0.0123 -6.2259 3  441.6255680  595161404421924 1    421627 1      C-13-H3C(O)CH3
  625969.9687  0.0051 -3.7301 3  635.0799888  595161404551244 0    541243 0      C-13-H3C(O)CH3
  625969.9687  0.0051 -3.7301 3  635.0799888  595161404551144 0    541143 0      C-13-H3C(O)CH3
  625969.9687  0.0051 -4.2855 3  635.0799888  595161404551144 0    541243 0      C-13-H3C(O)CH3
  625969.9687  0.0051 -4.2855 3  635.0799888  595161404551244 0    541143 0      C-13-H3C(O)CH3
  625978.5807  0.0102 -4.1917 3  635.0508888 -595161404551244 1    541143 1      C-13-H3C(O)CH3
  625978.5807  0.0102 -3.8155 3  635.0508888 -595161404551144 1    541243 1      C-13-H3C(O)CH3
  625978.5807  0.0102 -4.0702 3  635.0508888 -595161404551144 1    541143 1      C-13-H3C(O)CH3
  625978.5807  0.0102 -3.7602 3  635.0508888 -595161404551244 1    541243 1      C-13-H3C(O)CH3
  625979.6294  0.0101 -4.0552 3  635.0504888 -595161404551244 2    541143 2      C-13-H3C(O)CH3
  625979.6294  0.0101 -3.8241 3  635.0504888 -595161404551144 2    541143 2      C-13-H3C(O)CH3
  625979.6294  0.0101 -4.0552 3  635.0504888 -595161404551144 2    541243 2      C-13-H3C(O)CH3
  625979.6294  0.0101 -3.8241 3  635.0504888 -595161404551244 2    541243 2      C-13-H3C(O)CH3
  625982.5281  0.2349 -5.8869 3 1513.0800E00  595161404871374 0    871275 0      C-13-H3C(O)CH3
  625982.5281  0.2349 -5.8869 3 1513.0800E00  595161404871474 0    871375 0      C-13-H3C(O)CH3
  625988.2071  0.0073 -4.1753 3  635.0212444  595161404551244 4    541143 4      C-13-H3C(O)CH3
  625988.2071  0.0073 -4.2820 3  635.0212444  595161404551144 4    541143 4      C-13-H3C(O)CH3
  625988.2071  0.0073 -4.2820 3  635.0212444  595161404551244 4    541243 4      C-13-H3C(O)CH3
  625988.2071  0.0073 -4.1753 3  635.0212444  595161404551144 4    541243 4      C-13-H3C(O)CH3
  625988.2302  0.0073 -4.0871 3  635.0212444  595161404551244 3    541143 3      C-13-H3C(O)CH3
  625988.2302  0.0073 -3.9945 3  635.0212444  595161404551244 3    541243 3      C-13-H3C(O)CH3
  625988.2302  0.0073 -4.4295 3  635.0212444  595161404551144 3    541143 3      C-13-H3C(O)CH3
  625988.2302  0.0073 -4.7507 3  635.0212444  595161404551144 3    541243 3      C-13-H3C(O)CH3
  626096.4680  0.0697 -5.0467 3  770.1338856  595161404533321 1    523418 1      C-13-H3C(O)CH3
  626124.6874  0.2878 -6.0611 3 1513.0849E00  595161404871374 1    871375 1      C-13-H3C(O)CH3
  626124.6874  0.2878 -6.0611 3 1513.0849E00  595161404871474 1    871275 1      C-13-H3C(O)CH3
  626128.4029  0.2902 -5.9859 3 1513.0847E00  595161404871374 2    871375 2      C-13-H3C(O)CH3
  626128.4029  0.2902 -5.9859 3 1513.0847E00  595161404871474 2    871275 2      C-13-H3C(O)CH3
  626178.6003  0.0047 -4.3801 3  191.7224228  595161404281315 3    271216 3      C-13-H3C(O)CH3
  626178.6961  0.0058 -4.3801 3  191.7224228  595161404281315 4    271216 4      C-13-H3C(O)CH3
  626210.4431  0.0119 -5.9744 3  124.5029360  5951614042216 7 2    211110 2      C-13-H3C(O)CH3
  626224.0490  0.0057 -4.3801 3  191.7224228  595161404281415 4    271116 4      C-13-H3C(O)CH3
  626224.1276  0.0046 -4.3801 3  191.7224228  595161404281415 3    271116 3      C-13-H3C(O)CH3
  626270.7507  0.1647 -6.2001 3 1513.0895700  595161404871374 3    871275 3      C-13-H3C(O)CH3
  626270.7507  0.1647 -6.2001 3 1513.0895700  595161404871474 3    871375 3      C-13-H3C(O)CH3
  626270.9947  0.1648 -6.2049 3 1513.0895700  595161404871474 4    871375 4      C-13-H3C(O)CH3
  626270.9947  0.1648 -6.2049 3 1513.0895700  595161404871374 4    871275 4      C-13-H3C(O)CH3
  626320.3637  0.0044 -4.0789 3  191.7281456  595161404281315 2    271216 2      C-13-H3C(O)CH3
  626356.3724  0.0045 -4.0789 3  191.7306456  595161404281315 1    271216 1      C-13-H3C(O)CH3
  626363.1485  0.0084 -5.0728 3  118.9172204  59516140425 520 3    24 421 3      C-13-H3C(O)CH3
  626363.1485  0.0084 -5.0700 3  118.9172204  59516140425 620 3    24 321 3      C-13-H3C(O)CH3
  626363.2624  0.0102 -5.0646 3  118.9173204  59516140425 520 4    24 421 4      C-13-H3C(O)CH3
  626363.2624  0.0102 -5.0646 3  118.9173204  59516140425 620 4    24 321 4      C-13-H3C(O)CH3
  626366.9182  0.0044 -4.0788 3  191.7280456  595161404281415 2    271116 2      C-13-H3C(O)CH3
  626385.2828  0.0159 -3.8713 3  428.8647648  595161404402417 0    392316 0      C-13-H3C(O)CH3
  626401.2583  0.0045 -4.0789 3  191.7305456  595161404281415 1    271116 1      C-13-H3C(O)CH3
  626422.6486  0.0165 -3.8711 3  428.8437648  595161404402417 1    392316 1      C-13-H3C(O)CH3
  626493.4336  0.1986 -5.9348 3 1460.8682D84  595161404861374 0    861275 0      C-13-H3C(O)CH3
  626493.4336  0.1986 -5.8938 3 1460.8682D84  595161404861274 0    861175 0      C-13-H3C(O)CH3
  626497.8366  0.0045 -4.0786 3  191.7362456  595161404281315 0    271216 0      C-13-H3C(O)CH3
  626508.3592  0.0038 -3.8331 3  669.8905508  59516140463 361 3    62 260 3      C-13-H3C(O)CH3
  626508.3628  0.0038 -4.3611 3  669.8905508  59516140463 261 4    62 360 4      C-13-H3C(O)CH3
  626508.3628  0.0038 -3.9856 3  669.8905508  59516140463 361 4    62 360 4      C-13-H3C(O)CH3
  626508.3881  0.0038 -4.3611 3  669.8905508 -59516140463 361 4    62 260 4      C-13-H3C(O)CH3
  626508.3881  0.0038 -3.9856 3  669.8905508 -59516140463 261 4    62 260 4      C-13-H3C(O)CH3
  626508.3881  0.0038 -3.8331 3  669.8905508 -59516140463 261 3    62 360 3      C-13-H3C(O)CH3
  626508.6256  0.0132 -5.6934 3  145.4136188  5951614042319 4 3    2216 6 3      C-13-H3C(O)CH3
  626534.2517  0.0060 -5.0117 3  669.8799A16 -59516140463 361 1    62 260 1      C-13-H3C(O)CH3
  626534.2517  0.0060 -3.5845 3  669.8795A16 -59516140463 361 2    62 360 2      C-13-H3C(O)CH3
  626534.2517  0.0060 -4.4740 3  669.8795A16 -59516140463 361 2    62 260 2      C-13-H3C(O)CH3
  626534.2517  0.0060 -3.5465 3  669.8799A16 -59516140463 361 1    62 360 1      C-13-H3C(O)CH3
  626534.2517  0.0060 -3.5465 3  669.8799A16 -59516140463 261 1    62 260 1      C-13-H3C(O)CH3
  626534.2517  0.0060 -3.5845 3  669.8795A16 -59516140463 261 2    62 260 2      C-13-H3C(O)CH3
  626534.2517  0.0060 -4.4740 3  669.8795A16 -59516140463 261 2    62 360 2      C-13-H3C(O)CH3
  626534.2517  0.0060 -5.0117 3  669.8799A16 -59516140463 261 1    62 360 1      C-13-H3C(O)CH3
  626543.7805  0.0045 -4.0786 3  191.7362456  595161404281415 0    271116 0      C-13-H3C(O)CH3
  626560.0835  0.0043 -4.7440 3  669.8689A16 -59516140463 261 0    62 260 0      C-13-H3C(O)CH3
  626560.0835  0.0043 -3.5593 3  669.8689A16 -59516140463 361 0    62 260 0      C-13-H3C(O)CH3
  626560.1039  0.0043 -3.5593 3  669.8689A16  59516140463 261 0    62 360 0      C-13-H3C(O)CH3
  626560.1039  0.0043 -4.7440 3  669.8689A16  59516140463 361 0    62 360 0      C-13-H3C(O)CH3
  626562.0833  0.0509 -5.0030 3  770.1108856  595161404533321 0    523418 0      C-13-H3C(O)CH3
  626658.7529  0.2369 -5.8112 3 1460.8664D84  595161404861374 1    861275 1      C-13-H3C(O)CH3
  626658.7529  0.2369 -5.8112 3 1460.8664D84  595161404861274 1    861175 1      C-13-H3C(O)CH3
  626660.3708  0.2403 -5.8612 3 1460.8661D84  595161404861374 2    861175 2      C-13-H3C(O)CH3
  626660.3708  0.2403 -5.8612 3 1460.8661D84  595161404861274 2    861275 2      C-13-H3C(O)CH3
  626682.0609  0.1678 -6.2602 3  873.0985904  595161404563720 1    553817 1      C-13-H3C(O)CH3
  626724.4079  0.0150 -5.6161 3  145.4576188  5951614042319 4 4    2216 6 4      C-13-H3C(O)CH3
  626752.5846  0.0127 -5.6080 3  145.3508188  5951614042319 5 4    2216 7 4      C-13-H3C(O)CH3
  626780.3148  0.0213 -3.8707 3  428.8268648  595161404402417 2    392316 2      C-13-H3C(O)CH3
  626806.5341  0.0217 -4.1715 3  428.8060324  595161404402417 4    392316 4      C-13-H3C(O)CH3
  626819.5680  0.0226 -4.1715 3  428.8058324  595161404402417 3    392316 3      C-13-H3C(O)CH3
  626825.8806  0.1481 -6.1670 3 1460.8643692  595161404861374 3    861175 3      C-13-H3C(O)CH3
  626825.8806  0.1481 -6.1670 3 1460.8643692  595161404861274 3    861275 3      C-13-H3C(O)CH3
  626826.1408  0.1482 -6.1091 3 1460.8643692  595161404861374 4    861175 4      C-13-H3C(O)CH3
  626826.1408  0.1482 -6.1091 3 1460.8643692  595161404861274 4    861275 4      C-13-H3C(O)CH3
  626857.7009  0.0093 -4.7692 3  118.8785408  59516140425 520 2    24 321 2      C-13-H3C(O)CH3
  626857.7009  0.0093 -4.7633 3  118.8785408  59516140425 620 2    24 421 2      C-13-H3C(O)CH3
  626864.2133  0.0096 -4.7677 3  118.8791408  59516140425 620 1    24 321 1      C-13-H3C(O)CH3
  626864.2133  0.0096 -4.7676 3  118.8791408  59516140425 520 1    24 421 1      C-13-H3C(O)CH3
  626910.8722  0.1242 -5.5719 3  873.1101452  595161404563720 4    553818 4      C-13-H3C(O)CH3
  626924.7898  0.1658 -5.9255 3  873.1343452  595161404563720 3    553817 3      C-13-H3C(O)CH3
  626961.6986  0.0135 -5.6941 3  145.3950188  5951614042319 5 3    2216 7 3      C-13-H3C(O)CH3
  626996.9418  0.0770 -5.3517 3  765.1811428  595161404533222 4    523319 4      C-13-H3C(O)CH3
  626997.9542  0.0144 -6.2158 3   91.9070196  59516140424 222 3    23 023 3      C-13-H3C(O)CH3
  626997.9542  0.0144 -6.2158 3   91.9070196  59516140424 322 3    23 123 3      C-13-H3C(O)CH3
  626998.7554  0.0162 -6.0108 3   91.9070196  59516140424 222 4    23 023 4      C-13-H3C(O)CH3
  626998.7554  0.0162 -6.0108 3   91.9070196  59516140424 322 4    23 123 4      C-13-H3C(O)CH3
  627000.6790  0.1599 -5.7437 3 1409.2325D68  595161404851274 0    851075 0      C-13-H3C(O)CH3
  627000.6790  0.1599 -5.7437 3 1409.2325D68  595161404851174 0    851175 0      C-13-H3C(O)CH3
  627056.8304  0.0052 -4.6117 3  643.4357904 -595161404561146 0    551045 0      C-13-H3C(O)CH3
  627056.8304  0.0052 -4.6117 3  643.4357904 -595161404561046 0    551145 0      C-13-H3C(O)CH3
  627056.8474  0.0052 -3.6633 3  643.4357904  595161404561146 0    551145 0      C-13-H3C(O)CH3
  627056.8474  0.0052 -3.6633 3  643.4357904  595161404561046 0    551045 0      C-13-H3C(O)CH3
  627060.9120  0.0106 -3.7118 3  643.4057904  595161404561146 1    551145 1      C-13-H3C(O)CH3
  627060.9120  0.0106 -3.7118 3  643.4057904  595161404561046 1    551045 1      C-13-H3C(O)CH3
  627060.9120  0.0106 -4.3239 3  643.4057904  595161404561046 1    551145 1      C-13-H3C(O)CH3
  627060.9120  0.0106 -4.3239 3  643.4057904  595161404561146 1    551045 1      C-13-H3C(O)CH3
  627061.1100  0.1005 -5.8069 3  873.1297452  595161404563720 3    553818 3      C-13-H3C(O)CH3
  627061.6283  0.0106 -4.2526 3  643.4053904  595161404561046 2    551045 2      C-13-H3C(O)CH3
  627061.6283  0.0106 -3.7312 3  643.4053904  595161404561146 2    551045 2      C-13-H3C(O)CH3
  627061.6283  0.0106 -4.2526 3  643.4053904  595161404561146 2    551145 2      C-13-H3C(O)CH3
  627061.6283  0.0106 -3.7312 3  643.4053904  595161404561046 2    551145 2      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.1885 3  643.3752452 -595161404561046 4    551045 4      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.3137 3  643.3753452 -595161404561146 3    551045 3      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.1912 3  643.3753452 -595161404561146 3    551145 3      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.1885 3  643.3752452 -595161404561146 4    551145 4      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.2484 3  643.3753452 -595161404561046 3    551145 3      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.1411 3  643.3753452 -595161404561046 3    551045 3      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.2516 3  643.3752452 -595161404561046 4    551145 4      C-13-H3C(O)CH3
  627065.7822  0.0070 -4.2516 3  643.3752452 -595161404561146 4    551045 4      C-13-H3C(O)CH3
  627133.1454  0.0147 -5.8651 3  208.0575228  5951614042819 9 4    271611 4      C-13-H3C(O)CH3
  627136.7824  0.1106 -5.2933 3  873.0851904  595161404563720 2    553818 2      C-13-H3C(O)CH3
  627160.1185  0.0123 -5.8528 3  208.0697456  5951614042819 9 1    271611 1      C-13-H3C(O)CH3
  627181.7465  0.1855 -5.8508 3 1409.2233D68  595161404851174 2    851075 2      C-13-H3C(O)CH3
  627181.7465  0.1855 -5.8508 3 1409.2233D68  595161404851274 2    851175 2      C-13-H3C(O)CH3
  627181.7649  0.1823 -6.2041 3 1409.2235D68  595161404851274 1    851175 1      C-13-H3C(O)CH3
  627181.7649  0.1823 -6.2041 3 1409.2235D68  595161404851174 1    851075 1      C-13-H3C(O)CH3
  627181.7649  0.1823 -5.9169 3 1409.2235D68  595161404851174 1    851175 1      C-13-H3C(O)CH3
  627181.7649  0.1823 -5.9169 3 1409.2235D68  595161404851274 1    851075 1      C-13-H3C(O)CH3
  627186.6863  0.0111 -5.3181 3  145.4401376  5951614042319 4 1    2216 6 1      C-13-H3C(O)CH3
  627205.2606  0.0090 -5.7878 3  124.4928360  5951614042216 7 0    211110 0      C-13-H3C(O)CH3
  627229.3598  0.0457 -5.3397 3  765.1741428  595161404533222 3    523319 3      C-13-H3C(O)CH3
  627272.6657  0.0981 -5.3059 3  873.0788904  595161404563720 1    553818 1      C-13-H3C(O)CH3
  627288.6231  0.0568 -5.0443 3  765.1705856  595161404533222 2    523319 2      C-13-H3C(O)CH3
  627301.5123  0.0988 -5.2603 3  873.0543904  595161404563720 0    553817 0      C-13-H3C(O)CH3
  627302.7313  0.0123 -3.9384 3  269.7260520  595161404321913 2    311814 2      C-13-H3C(O)CH3
  627316.6496  0.0047 -3.7456 3  541.2435744 -595161404462125 0    452224 0      C-13-H3C(O)CH3
  627316.6496  0.0047 -3.7456 3  541.2434744 -595161404462225 0    452124 0      C-13-H3C(O)CH3
  627347.9355  0.0060 -3.7456 3  541.2237744  595161404462125 1    452224 1      C-13-H3C(O)CH3
  627348.9313  0.0060 -3.7456 3  541.2237744  595161404462225 1    452124 1      C-13-H3C(O)CH3
  627357.6690  0.0088 -4.7681 3  118.8404408  59516140425 620 0    24 321 0      C-13-H3C(O)CH3
  627357.6690  0.0088 -4.7681 3  118.8404408  59516140425 520 0    24 421 0      C-13-H3C(O)CH3
  627357.6930  0.0064 -3.7456 3  541.2216744  595161404462125 2    452224 2      C-13-H3C(O)CH3
  627358.7168  0.0064 -3.7456 3  541.2215744  595161404462225 2    452124 2      C-13-H3C(O)CH3
  627359.1226  0.0365 -5.0437 3  765.1693856  595161404533222 1    523319 1      C-13-H3C(O)CH3
  627360.1850  0.0106 -5.3145 3  145.3796376  5951614042319 5 1    2216 7 1      C-13-H3C(O)CH3
  627363.0115  0.1315 -6.0447 3 1409.2142684  595161404851274 3    851075 3      C-13-H3C(O)CH3
  627363.0115  0.1315 -6.0447 3 1409.2142684  595161404851174 3    851175 3      C-13-H3C(O)CH3
  627363.2687  0.1316 -6.1463 3 1409.2142684  595161404851274 4    851175 4      C-13-H3C(O)CH3
  627363.2687  0.1316 -6.1463 3 1409.2142684  595161404851174 4    851075 4      C-13-H3C(O)CH3
  627389.4239  0.0071 -4.0467 3  541.2017372  595161404462125 3    452224 3      C-13-H3C(O)CH3
  627389.4516  0.0071 -4.0467 3  541.2017372  595161404462125 4    452224 4      C-13-H3C(O)CH3
  627390.5151  0.0071 -4.0467 3  541.2017372  595161404462225 3    452124 3      C-13-H3C(O)CH3
  627390.5372  0.0071 -4.0467 3  541.2017372  595161404462225 4    452124 4      C-13-H3C(O)CH3
  627450.5422  0.0105 -3.9390 3  269.7485520  595161404321913 0    311814 0      C-13-H3C(O)CH3
  627454.6123  0.0108 -5.3192 3  145.3911376  5951614042319 5 2    2216 7 2      C-13-H3C(O)CH3
  627497.4034  0.0118 -6.2115 3  124.5091360  5951614042216 6 1    211110 1      C-13-H3C(O)CH3
  627497.6490  0.0148 -4.2400 3  269.7093260  595161404321913 3    311814 3      C-13-H3C(O)CH3
  627498.1172  0.0157 -4.2400 3  269.7093260  595161404321913 4    311814 4      C-13-H3C(O)CH3
  627508.9830  0.1225 -5.7734 3 1358.1734D52  595161404841074 0    84 975 0      C-13-H3C(O)CH3
  627508.9830  0.1225 -6.3398 3 1358.1734D52  595161404841074 0    841075 0      C-13-H3C(O)CH3
  627508.9830  0.1225 -5.7734 3 1358.1734D52  595161404841174 0    841075 0      C-13-H3C(O)CH3
  627508.9830  0.1225 -6.3398 3 1358.1734D52  595161404841174 0    84 975 0      C-13-H3C(O)CH3
  627513.0036  0.0049 -3.7242 3  555.3695760  595161404472027 0    462126 0      C-13-H3C(O)CH3
  627513.0188  0.0049 -3.7242 3  555.3695760  595161404472127 0    462026 0      C-13-H3C(O)CH3
  627530.2920  0.0106 -5.3236 3  145.4397376  5951614042319 4 2    2216 6 2      C-13-H3C(O)CH3
  627531.0719  0.0310 -5.0434 3  765.1624856  595161404533222 0    523319 0      C-13-H3C(O)CH3
  627545.0033  0.0064 -3.7242 3  555.3494760  595161404472027 1    462126 1      C-13-H3C(O)CH3
  627545.0202  0.0064 -3.7242 3  555.3494760  595161404472127 1    462026 1      C-13-H3C(O)CH3
  627551.8470  0.0068 -3.7242 3  555.3479760  595161404472027 2    462126 2      C-13-H3C(O)CH3
  627551.8643  0.0068 -3.7242 3  555.3479760  595161404472127 2    462026 2      C-13-H3C(O)CH3
  627583.8919  0.0075 -4.0252 3  555.3278380  595161404472027 3    462126 3      C-13-H3C(O)CH3
  627583.9111  0.0075 -4.0252 3  555.3278380  595161404472127 3    462026 3      C-13-H3C(O)CH3
  627583.9243  0.0075 -4.0252 3  555.3278380  595161404472027 4    462126 4      C-13-H3C(O)CH3
  627583.9434  0.0075 -4.0252 3  555.3278380  595161404472127 4    462026 4      C-13-H3C(O)CH3
  627584.7184  0.1114 -5.8063 3  873.1343452  595161404563719 3    553817 3      C-13-H3C(O)CH3
  627640.8767  0.0120 -3.9396 3  269.7318520  595161404321913 1    311814 1      C-13-H3C(O)CH3
  627647.9018  0.0045 -3.7757 3  526.4347728  595161404452223 0    442322 0      C-13-H3C(O)CH3
  627668.4021  0.0119 -6.2435 3  124.5029360  5951614042216 6 2    211110 2      C-13-H3C(O)CH3
  627677.6663  0.0057 -3.7757 3  526.4150728  595161404452223 1    442322 1      C-13-H3C(O)CH3
  627678.6252  0.0047 -3.8614 3  673.3756516  59516140464 263 3    63 262 3      C-13-H3C(O)CH3
  627678.6252  0.0047 -4.8931 3  673.3756516  59516140464 163 3    63 262 3      C-13-H3C(O)CH3
  627678.6410  0.0047 -4.9706 3  673.3757516  59516140464 163 4    63 262 4      C-13-H3C(O)CH3
  627678.6410  0.0047 -3.8548 3  673.3757516  59516140464 263 4    63 262 4      C-13-H3C(O)CH3
  627678.6535  0.0047 -4.8931 3  673.3756516 -59516140464 263 3    63 162 3      C-13-H3C(O)CH3
  627678.6535  0.0047 -4.9706 3  673.3757516 -59516140464 263 4    63 162 4      C-13-H3C(O)CH3
  627678.6535  0.0047 -3.8614 3  673.3756516 -59516140464 163 3    63 162 3      C-13-H3C(O)CH3
  627678.6535  0.0047 -3.8548 3  673.3757516 -59516140464 163 4    63 162 4      C-13-H3C(O)CH3
  627686.4218  0.0198 -5.6888 3   91.8362392  59516140424 322 2    23 123 2      C-13-H3C(O)CH3
  627686.4218  0.0198 -5.6888 3   91.8362392  59516140424 222 2    23 023 2      C-13-H3C(O)CH3
  627687.4198  0.0202 -5.7447 3   91.8366392  59516140424 322 1    23 023 1      C-13-H3C(O)CH3
  627687.4198  0.0202 -5.7447 3   91.8366392  59516140424 222 1    23 123 1      C-13-H3C(O)CH3
  627689.3791  0.0045 -3.7756 3  526.4336728 -595161404452323 0    442222 0      C-13-H3C(O)CH3
  627692.1297  0.0062 -3.7758 3  526.4120728  595161404452223 2    442322 2      C-13-H3C(O)CH3
  627693.9886  0.1341 -5.9614 3 1358.1569D52  595161404841074 2    84 975 2      C-13-H3C(O)CH3
  627693.9886  0.1341 -5.9784 3 1358.1569D52  595161404841074 2    841075 2      C-13-H3C(O)CH3
  627693.9886  0.1341 -5.9614 3 1358.1569D52  595161404841174 2    841075 2      C-13-H3C(O)CH3
  627693.9886  0.1341 -5.9784 3 1358.1569D52  595161404841174 2    84 975 2      C-13-H3C(O)CH3
  627695.0375  0.1327 -6.1482 3 1358.1570D52  595161404841074 1    841075 1      C-13-H3C(O)CH3
  627695.0375  0.1327 -6.1482 3 1358.1570D52  595161404841174 1    84 975 1      C-13-H3C(O)CH3
  627695.0375  0.1327 -5.8437 3 1358.1570D52  595161404841174 1    841075 1      C-13-H3C(O)CH3
  627695.0375  0.1327 -5.8437 3 1358.1570D52  595161404841074 1    84 975 1      C-13-H3C(O)CH3
  627697.2425  0.0064 -3.6089 3  673.3424A32 -59516140464 263 2    63 162 2      C-13-H3C(O)CH3
  627697.2425  0.0064 -4.2616 3  673.3424A32 -59516140464 163 2    63 162 2      C-13-H3C(O)CH3
  627697.2425  0.0066 -3.8495 3  673.3428A32 -59516140464 263 1    63 162 1      C-13-H3C(O)CH3
  627697.2425  0.0066 -3.7974 3  673.3428A32 -59516140464 163 1    63 162 1      C-13-H3C(O)CH3
  627697.2720  0.0064 -4.2616 3  673.3424A32  59516140464 263 2    63 262 2      C-13-H3C(O)CH3
  627697.2720  0.0064 -3.6089 3  673.3424A32  59516140464 163 2    63 262 2      C-13-H3C(O)CH3
  627697.3098  0.0066 -3.7974 3  673.3428A32  59516140464 263 1    63 262 1      C-13-H3C(O)CH3
  627697.3098  0.0066 -3.8495 3  673.3428A32  59516140464 163 1    63 262 1      C-13-H3C(O)CH3
  627702.5306  0.0882 -5.2928 3  873.1093904  595161404563719 2    553817 2      C-13-H3C(O)CH3
  627715.8386  0.0048 -3.6226 3  673.3097A32 -59516140464 263 0    63 162 0      C-13-H3C(O)CH3
  627715.8386  0.0048 -3.6226 3  673.3097A32 -59516140464 163 0    63 262 0      C-13-H3C(O)CH3
  627715.8386  0.0048 -4.2045 3  673.3097A32 -59516140464 163 0    63 162 0      C-13-H3C(O)CH3
  627715.8386  0.0048 -4.2045 3  673.3097A32 -59516140464 263 0    63 262 0      C-13-H3C(O)CH3
  627720.5352  0.0056 -3.7757 3  526.4139728  595161404452323 1    442222 1      C-13-H3C(O)CH3
  627721.0386  0.1302 -5.9241 3  873.1297452  595161404563719 3    553818 3      C-13-H3C(O)CH3
  627721.8532  0.0068 -4.0769 3  526.3923364  595161404452223 3    442322 3      C-13-H3C(O)CH3
  627721.9203  0.0068 -4.0769 3  526.3922364  595161404452223 4    442322 4      C-13-H3C(O)CH3
  627736.1058  0.0060 -3.7757 3  526.4108728  595161404452323 2    442222 2      C-13-H3C(O)CH3
  627736.3252  0.0870 -5.5712 3  873.1539452  595161404563719 4    553817 4      C-13-H3C(O)CH3
  627767.4486  0.0067 -4.0768 3  526.3910364  595161404452323 4    442222 4      C-13-H3C(O)CH3
  627767.5181  0.0067 -4.0768 3  526.3911364  595161404452323 3    442222 3      C-13-H3C(O)CH3
  627802.1116  0.2010 -5.7730 3  942.0859952  595161404593426 0    583523 0      C-13-H3C(O)CH3
  627810.1443  0.0108 -5.3537 3  160.0257204  5951614042516 9 3    241312 3      C-13-H3C(O)CH3
  627811.3015  0.1080 -5.3052 3  873.0985904  595161404563719 1    553817 1      C-13-H3C(O)CH3
  627814.9301  0.0086 -5.0485 3  160.0235408  5951614042516 9 2    241312 2      C-13-H3C(O)CH3
  627824.6712  0.0115 -5.3138 3  145.4277376  5951614042319 5 0    2216 6 0      C-13-H3C(O)CH3
  627839.3463  0.0104 -5.3554 3  160.0257204  5951614042516 9 4    241312 4      C-13-H3C(O)CH3
  627880.1969  0.1162 -5.9823 3 1358.1405676  595161404841074 3    84 975 3      C-13-H3C(O)CH3
  627880.1969  0.1162 -5.9823 3 1358.1405676  595161404841174 3    841075 3      C-13-H3C(O)CH3
  627880.4206  0.1162 -6.2311 3 1358.1405676  595161404841074 4    841075 4      C-13-H3C(O)CH3
  627880.4206  0.1162 -6.3138 3 1358.1405676  595161404841174 4    841075 4      C-13-H3C(O)CH3
  627880.4206  0.1162 -6.3138 3 1358.1405676  595161404841074 4    84 975 4      C-13-H3C(O)CH3
  627880.4206  0.1162 -6.2311 3 1358.1405676  595161404841174 4    84 975 4      C-13-H3C(O)CH3
  627936.8605  0.0077 -5.0468 3  160.0254408  5951614042516 9 0    241312 0      C-13-H3C(O)CH3
  627945.2917  0.0085 -5.0519 3  160.0276408  5951614042516 9 1    241312 1      C-13-H3C(O)CH3
  627952.2411  0.0058 -4.3158 3  212.6110236  595161404291514 3    281415 3      C-13-H3C(O)CH3
  627954.4160  0.0066 -4.3158 3  212.6110236  595161404291514 4    281415 4      C-13-H3C(O)CH3
  627978.6263  0.1007 -5.2592 3  873.0535904  595161404563719 0    553818 0      C-13-H3C(O)CH3
  628008.9467  0.0051 -4.0148 3  212.6214472  595161404291514 2    281415 2      C-13-H3C(O)CH3
  628015.4114  0.0050 -3.7081 3  568.8598776  595161404481929 0    472028 0      C-13-H3C(O)CH3
  628015.4116  0.0050 -3.7081 3  568.8598776  595161404482029 0    471928 0      C-13-H3C(O)CH3
  628023.8692  0.0923 -6.0684 3 1307.6908D36  59516140483 974 0    83 975 0      C-13-H3C(O)CH3
  628023.8692  0.0923 -5.7915 3 1307.6908D36  59516140483 974 0    83 875 0      C-13-H3C(O)CH3
  628023.8692  0.0923 -5.7915 3 1307.6908D36  595161404831074 0    83 975 0      C-13-H3C(O)CH3
  628023.8692  0.0923 -6.0684 3 1307.6908D36  595161404831074 0    83 875 0      C-13-H3C(O)CH3
  628046.9566  0.0069 -3.7081 3  568.8393776  595161404481929 1    472028 1      C-13-H3C(O)CH3
  628046.9568  0.0069 -3.7081 3  568.8393776  595161404482029 1    471928 1      C-13-H3C(O)CH3
  628051.9694  0.0071 -3.7081 3  568.8381776  595161404481929 2    472028 2      C-13-H3C(O)CH3
  628051.9696  0.0071 -3.7081 3  568.8381776  595161404482029 2    471928 2      C-13-H3C(O)CH3
  628083.5627  0.0079 -4.0091 3  568.8176388  595161404481929 3    472028 3      C-13-H3C(O)CH3
  628083.5629  0.0079 -4.0091 3  568.8176388  595161404482029 3    471928 3      C-13-H3C(O)CH3
  628083.5959  0.0079 -4.0091 3  568.8176388  595161404481929 4    472028 4      C-13-H3C(O)CH3
  628083.5962  0.0079 -4.0091 3  568.8176388  595161404482029 4    471928 4      C-13-H3C(O)CH3
  628083.8938  0.0052 -4.0148 3  212.6250472  595161404291514 1    281415 1      C-13-H3C(O)CH3
  628140.0938  0.0049 -4.0147 3  212.6354472  595161404291514 0    281415 0      C-13-H3C(O)CH3
  628156.8416  0.0067 -5.4523 3  651.1857460  595161404571048 4    56 947 4      C-13-H3C(O)CH3
  628156.8416  0.0067 -3.9240 3  651.1857460  59516140457 948 4    56 947 4      C-13-H3C(O)CH3
  628156.8416  0.0067 -3.9240 3  651.1857460  595161404571048 4    561047 4      C-13-H3C(O)CH3
  628156.8416  0.0067 -5.4523 3  651.1857460  59516140457 948 4    561047 4      C-13-H3C(O)CH3
  628156.8822  0.0067 -4.1792 3  651.1858460  595161404571048 3    56 947 3      C-13-H3C(O)CH3
  628156.8822  0.0067 -4.1792 3  651.1858460  59516140457 948 3    561047 3      C-13-H3C(O)CH3
  628156.8822  0.0067 -4.2482 3  651.1858460  59516140457 948 3    56 947 3      C-13-H3C(O)CH3
  628156.8822  0.0067 -4.2482 3  651.1858460  595161404571048 3    561047 3      C-13-H3C(O)CH3
  628157.2290  0.0108 -3.8312 3  651.2167920  59516140457 948 1    56 947 1      C-13-H3C(O)CH3
  628157.2290  0.0108 -4.0097 3  651.2167920  59516140457 948 1    561047 1      C-13-H3C(O)CH3
  628157.2290  0.0108 -4.0097 3  651.2167920  595161404571048 1    56 947 1      C-13-H3C(O)CH3
  628157.2290  0.0108 -3.8312 3  651.2167920  595161404571048 1    561047 1      C-13-H3C(O)CH3
  628157.8423  0.0107 -3.6868 3  651.2163920  59516140457 948 2    561047 2      C-13-H3C(O)CH3
  628157.8423  0.0107 -4.4025 3  651.2163920  59516140457 948 2    56 947 2      C-13-H3C(O)CH3
  628157.8423  0.0107 -3.6868 3  651.2163920  595161404571048 2    56 947 2      C-13-H3C(O)CH3
  628157.8423  0.0107 -4.4025 3  651.2163920  595161404571048 2    561047 2      C-13-H3C(O)CH3
  628158.1995  0.0053 -3.6121 3  651.2472920  595161404571048 0    56 947 0      C-13-H3C(O)CH3
  628158.1995  0.0053 -6.0134 3  651.2472920  595161404571048 0    561047 0      C-13-H3C(O)CH3
  628158.1995  0.0053 -6.0134 3  651.2472920  59516140457 948 0    56 947 0      C-13-H3C(O)CH3
  628158.1995  0.0053 -3.6121 3  651.2472920  59516140457 948 0    561047 0      C-13-H3C(O)CH3
  628197.3522  0.0657 -5.8583 3  770.0640856  595161404533321 2    523419 2      C-13-H3C(O)CH3
  628198.7219  0.1027 -6.1767 3 1307.6675D36  595161404831074 2    83 875 2      C-13-H3C(O)CH3
  628198.7219  0.1027 -5.7431 3 1307.6675D36  595161404831074 2    83 975 2      C-13-H3C(O)CH3
  628198.7219  0.1027 -5.7431 3 1307.6675D36  59516140483 974 2    83 875 2      C-13-H3C(O)CH3
  628198.7219  0.1027 -6.1767 3 1307.6675D36  59516140483 974 2    83 975 2      C-13-H3C(O)CH3
  628200.1100  0.1049 -6.3336 3 1307.6677D36  595161404831074 1    83 975 1      C-13-H3C(O)CH3
  628200.1100  0.1049 -6.3336 3 1307.6677D36  59516140483 974 1    83 875 1      C-13-H3C(O)CH3
  628200.1100  0.1049 -5.6971 3 1307.6677D36  59516140483 974 1    83 975 1      C-13-H3C(O)CH3
  628200.1100  0.1049 -5.6971 3 1307.6677D36  595161404831074 1    83 875 1      C-13-H3C(O)CH3
  628231.3088  0.0114 -5.3135 3  145.4141376  5951614042319 4 0    2216 7 0      C-13-H3C(O)CH3
  628251.9411  0.0540 -6.0181 3  770.0619856  595161404533321 1    523419 1      C-13-H3C(O)CH3
  628279.8459  0.0669 -5.8572 3  770.0673428  595161404533321 4    523419 4      C-13-H3C(O)CH3
  628374.2164  0.0192 -5.7233 3   91.7660392  59516140424 322 0    23 123 0      C-13-H3C(O)CH3
  628374.2164  0.0192 -5.7233 3   91.7660392  59516140424 222 0    23 023 0      C-13-H3C(O)CH3
  628375.0794  0.1034 -6.0323 3 1307.6444668  59516140483 974 3    83 875 3      C-13-H3C(O)CH3
  628375.0794  0.1034 -6.0323 3 1307.6444668  595161404831074 3    83 975 3      C-13-H3C(O)CH3
  628375.2265  0.1034 -5.9196 3 1307.6443668  59516140483 974 4    83 975 4      C-13-H3C(O)CH3
  628375.2265  0.1034 -5.9196 3 1307.6443668  595161404831074 4    83 875 4      C-13-H3C(O)CH3
  628382.7379  0.1347 -5.0204 3  655.3764396  595161404493019 3    483118 3      C-13-H3C(O)CH3
  628401.9064  0.1414 -6.2573 3  873.0788904  595161404563719 1    553818 1      C-13-H3C(O)CH3
  628458.9812  0.0063 -3.4322 3  317.8649260  5951614043230 3 4    3129 3 4      C-13-H3C(O)CH3
  628473.8723  0.0046 -3.1312 3  317.9358520 -5951614043230 3 2    3129 3 2      C-13-H3C(O)CH3
  628509.1333  0.1864 -5.7657 3  942.0685952  595161404593426 1    583523 1      C-13-H3C(O)CH3
  628522.7564  0.0049 -3.1311 3  317.9204520 -5951614043230 3 1    3129 3 1      C-13-H3C(O)CH3
  628538.3620  0.0046 -3.1311 3  317.9913520 -5951614043230 2 0    3129 3 0      C-13-H3C(O)CH3
  628538.3620  0.0046 -3.1311 3  317.9913520 -5951614043230 3 0    3129 2 0      C-13-H3C(O)CH3
  628541.7107  0.2808 -5.7655 3  942.0683952  595161404593426 2    583523 2      C-13-H3C(O)CH3
  628548.9370  0.0804 -6.2097 3 1198.3010A32  595161404644916 0    635013 0      C-13-H3C(O)CH3
  628548.9370  0.0804 -6.2097 3 1198.3010A32  595161404644915 0    635014 0      C-13-H3C(O)CH3
  628551.7253  0.0770 -5.8140 3 1257.7847D20  59516140482 974 0    82 775 0      C-13-H3C(O)CH3
  628551.7253  0.0770 -5.8956 3 1257.7847D20  59516140482 874 0    82 775 0      C-13-H3C(O)CH3
  628551.7253  0.0770 -5.8140 3 1257.7847D20  59516140482 874 0    82 875 0      C-13-H3C(O)CH3
  628551.7253  0.0770 -5.8956 3 1257.7847D20  59516140482 974 0    82 875 0      C-13-H3C(O)CH3
  628562.5959  0.0050 -3.8236 3  510.8658712  595161404442321 0    432420 0      C-13-H3C(O)CH3
  628578.5753  0.0057 -3.8237 3  510.8463712  595161404442321 1    432420 1      C-13-H3C(O)CH3
  628591.9703  0.0071 -3.8238 3  510.8420712  595161404442321 2    432420 2      C-13-H3C(O)CH3
  628607.2160  0.0072 -4.1250 3  510.8224356  595161404442321 3    432420 3      C-13-H3C(O)CH3
  628608.2494  0.0074 -4.1250 3  510.8223356  595161404442321 4    432420 4      C-13-H3C(O)CH3
  628638.0815  0.1056 -6.2097 3 1198.2968A32  595161404644916 1    635014 1      C-13-H3C(O)CH3
  628663.4896  0.0062 -3.4319 3  317.8671260  5951614043230 3 3    3129 3 3      C-13-H3C(O)CH3
  628678.9491  0.0046 -3.1309 3  317.9378520 -5951614043230 2 2    3129 2 2      C-13-H3C(O)CH3
  628693.5581  0.0061 -3.4318 3  317.8887260  5951614043230 2 3    3129 2 3      C-13-H3C(O)CH3
  628697.7426  0.1085 -5.5600 3 1257.7558D20  59516140482 974 2    82 875 2      C-13-H3C(O)CH3
  628697.7426  0.1085 -5.5600 3 1257.7558D20  59516140482 874 2    82 775 2      C-13-H3C(O)CH3
  628698.7739  0.1129 -5.9205 3 1257.7559D20  59516140482 974 1    82 775 1      C-13-H3C(O)CH3
  628698.7739  0.1129 -5.7938 3 1257.7559D20  59516140482 974 1    82 875 1      C-13-H3C(O)CH3
  628698.7739  0.1129 -5.7938 3 1257.7559D20  59516140482 874 1    82 775 1      C-13-H3C(O)CH3
  628698.7739  0.1129 -5.9205 3 1257.7559D20  59516140482 874 1    82 875 1      C-13-H3C(O)CH3
  628705.0143  0.0052 -3.6954 3  581.7429792  595161404491831 0    481930 0      C-13-H3C(O)CH3
  628705.0143  0.0052 -3.6954 3  581.7429792  595161404491931 0    481830 0      C-13-H3C(O)CH3
  628735.5174  0.0073 -3.6954 3  581.7219792  595161404491831 1    481930 1      C-13-H3C(O)CH3
  628735.5174  0.0073 -3.6954 3  581.7219792  595161404491931 1    481830 1      C-13-H3C(O)CH3
  628739.2997  0.0075 -3.6953 3  581.7209792  595161404491831 2    481930 2      C-13-H3C(O)CH3
  628739.2997  0.0075 -3.6954 3  581.7209792  595161404491931 2    481830 2      C-13-H3C(O)CH3
  628757.8522  0.0047 -3.1307 3  317.9441520 -5951614043230 2 1    3129 2 1      C-13-H3C(O)CH3
  628769.8507  0.0082 -3.9964 3  581.6998396  595161404491931 3    481830 3      C-13-H3C(O)CH3
  628769.8507  0.0082 -3.9964 3  581.6998396  595161404491831 3    481930 3      C-13-H3C(O)CH3
  628769.8818  0.0082 -3.9963 3  581.6998396  595161404491931 4    481830 4      C-13-H3C(O)CH3
  628769.8818  0.0082 -3.9963 3  581.6998396  595161404491831 4    481930 4      C-13-H3C(O)CH3
  628774.1183  0.1062 -6.2097 3 1198.3310A32  595161404644915 1    635013 1      C-13-H3C(O)CH3
  628778.5455  0.0984 -6.2099 3 1198.2945A32  595161404644916 2    635014 2      C-13-H3C(O)CH3
  628793.2505  0.1209 -6.2099 3 1198.3379A32  595161404644915 2    635013 2      C-13-H3C(O)CH3
  628800.5808  0.1116 -5.0576 3  655.3637396  595161404493019 4    483118 4      C-13-H3C(O)CH3
  628844.8628  0.0938 -5.8741 3 1257.7271660  59516140482 974 3    82 775 3      C-13-H3C(O)CH3
  628844.8628  0.0938 -5.8741 3 1257.7271660  59516140482 874 3    82 875 3      C-13-H3C(O)CH3
  628844.8783  0.0938 -5.8771 3 1257.7270660  59516140482 974 4    82 875 4      C-13-H3C(O)CH3
  628844.8783  0.0938 -5.8771 3 1257.7270660  59516140482 874 4    82 775 4      C-13-H3C(O)CH3
  628850.6475  0.0102 -6.2640 3  416.4513664  595161404411724 0    411427 0      C-13-H3C(O)CH3
  628850.6545  0.0102 -6.2640 3  416.4513664  595161404411824 0    411527 0      C-13-H3C(O)CH3
  628861.8173  0.0075 -3.9003 3  676.3328524 -59516140465 065 4    64 164 4      C-13-H3C(O)CH3
  628861.8173  0.0075 -4.5474 3  676.3328524 -59516140465 165 4    64 164 4      C-13-H3C(O)CH3
  628861.8173  0.0075 -4.4955 3  676.3328524 -59516140465 065 3    64 164 3      C-13-H3C(O)CH3
  628861.8173  0.0075 -3.9129 3  676.3328524 -59516140465 165 3    64 164 3      C-13-H3C(O)CH3
  628862.1603  0.0075 -4.6022 3  676.3328524  59516140465 065 4    64 064 4      C-13-H3C(O)CH3
  628862.1603  0.0075 -3.8888 3  676.3328524  59516140465 165 4    64 064 4      C-13-H3C(O)CH3
  628862.1758  0.0075 -3.9129 3  676.3328524  59516140465 065 3    64 064 3      C-13-H3C(O)CH3
  628862.1758  0.0075 -4.4955 3  676.3328524  59516140465 165 3    64 064 3      C-13-H3C(O)CH3
  628865.6040  0.0122 -4.5956 3  676.2685A48 -59516140465 165 2    64 064 2      C-13-H3C(O)CH3
  628865.6040  0.0124 -3.5492 3  676.2688A48 -59516140465 165 1    64 164 1      C-13-H3C(O)CH3
  628865.6040  0.0124 -3.5492 3  676.2688A48 -59516140465 065 1    64 064 1      C-13-H3C(O)CH3
  628865.6040  0.0124 -4.5841 3  676.2688A48 -59516140465 165 1    64 064 1      C-13-H3C(O)CH3
  628865.6040  0.0122 -3.5481 3  676.2685A48 -59516140465 065 2    64 064 2      C-13-H3C(O)CH3
  628865.6040  0.0122 -4.5956 3  676.2685A48 -59516140465 065 2    64 164 2      C-13-H3C(O)CH3
  628865.6040  0.0124 -4.5841 3  676.2688A48 -59516140465 065 1    64 164 1      C-13-H3C(O)CH3
  628865.6040  0.0122 -3.5481 3  676.2685A48 -59516140465 165 2    64 164 2      C-13-H3C(O)CH3
  628869.0350  0.0089 -3.6113 3  676.2046A48  59516140465 065 0    64 164 0      C-13-H3C(O)CH3
  628869.0350  0.0089 -4.1951 3  676.2046A48  59516140465 165 0    64 164 0      C-13-H3C(O)CH3
  628869.0817  0.0089 -4.1951 3  676.2046A48 -59516140465 065 0    64 064 0      C-13-H3C(O)CH3
  628869.0817  0.0089 -3.6113 3  676.2046A48 -59516140465 165 0    64 064 0      C-13-H3C(O)CH3
  628879.7066  0.0120 -6.2646 3  416.4219664  595161404411724 2    411427 2      C-13-H3C(O)CH3
  628879.7144  0.0120 -6.2646 3  416.4219664  595161404411824 2    411527 2      C-13-H3C(O)CH3
  628897.8782  0.0065 -3.4315 3  317.8907260 -5951614043230 2 4    3129 2 4      C-13-H3C(O)CH3
  628899.1366  0.0118 -6.2624 3  416.4233664  595161404411724 1    411427 1      C-13-H3C(O)CH3
  628899.1440  0.0118 -6.2624 3  416.4233664  595161404411824 1    411527 1      C-13-H3C(O)CH3
  629099.8534  0.0783 -5.9749 3 1208.4547D04  59516140481 874 0    81 675 0      C-13-H3C(O)CH3
  629099.8534  0.0783 -5.6839 3 1208.4547D04  59516140481 774 0    81 675 0      C-13-H3C(O)CH3
  629099.8534  0.0783 -5.9749 3 1208.4547D04  59516140481 774 0    81 775 0      C-13-H3C(O)CH3
  629099.8534  0.0783 -5.6839 3 1208.4547D04  59516140481 874 0    81 775 0      C-13-H3C(O)CH3
  629130.9660  0.0060 -4.3150 3  212.6095236  595161404291614 4    281315 4      C-13-H3C(O)CH3
  629131.5700  0.0051 -4.3150 3  212.6095236  595161404291614 3    281315 3      C-13-H3C(O)CH3
  629135.0985  0.1236 -4.7312 3  655.3688792  595161404493019 2    483118 2      C-13-H3C(O)CH3
  629193.0200  0.1365 -5.6778 3 1208.4223D04  59516140481 774 2    81 775 2      C-13-H3C(O)CH3
  629193.0200  0.1365 -5.9864 3 1208.4223D04  59516140481 874 2    81 775 2      C-13-H3C(O)CH3
  629193.0200  0.1365 -5.9864 3 1208.4223D04  59516140481 774 2    81 675 2      C-13-H3C(O)CH3
  629193.0200  0.1365 -5.6778 3 1208.4223D04  59516140481 874 2    81 675 2      C-13-H3C(O)CH3
  629193.0983  0.1403 -5.6692 3 1208.4224D04  59516140481 774 1    81 675 1      C-13-H3C(O)CH3
  629193.0983  0.1403 -6.0044 3 1208.4224D04  59516140481 774 1    81 775 1      C-13-H3C(O)CH3
  629193.0983  0.1403 -6.0044 3 1208.4224D04  59516140481 874 1    81 675 1      C-13-H3C(O)CH3
  629193.0983  0.1403 -5.6692 3 1208.4224D04  59516140481 874 1    81 775 1      C-13-H3C(O)CH3
  629210.2229  0.0049 -4.0139 3  212.6199472  595161404291614 2    281315 2      C-13-H3C(O)CH3
  629229.8371  0.2626 -6.0593 3  942.0516476  595161404593426 4    583523 4      C-13-H3C(O)CH3
  629252.9164  0.0049 -4.0139 3  212.6236472  595161404291614 1    281315 1      C-13-H3C(O)CH3
  629254.0715  0.2701 -6.0591 3  942.0508476  595161404593426 3    583523 3      C-13-H3C(O)CH3
  629254.9750  0.0041 -3.5727 3  331.6905568 -595161404352312 0    342213 0      C-13-H3C(O)CH3
  629259.7965  0.0063 -4.2007 3  658.4548468  59516140458 950 4    57 849 4      C-13-H3C(O)CH3
  629259.7965  0.0063 -4.2106 3  658.4548468  59516140458 950 4    57 949 4      C-13-H3C(O)CH3
  629259.7965  0.0063 -4.2007 3  658.4548468  59516140458 850 4    57 949 4      C-13-H3C(O)CH3
  629259.7965  0.0063 -4.2106 3  658.4548468  59516140458 850 4    57 849 4      C-13-H3C(O)CH3
  629259.8443  0.0063 -4.6039 3  658.4548468  59516140458 950 3    57 849 3      C-13-H3C(O)CH3
  629259.8443  0.0063 -4.0014 3  658.4548468  59516140458 950 3    57 949 3      C-13-H3C(O)CH3
  629259.8443  0.0063 -4.6039 3  658.4548468  59516140458 850 3    57 949 3      C-13-H3C(O)CH3
  629259.8443  0.0063 -4.0014 3  658.4548468  59516140458 850 3    57 849 3      C-13-H3C(O)CH3
  629265.6314  0.0107 -3.6144 3  658.4856936  59516140458 950 1    57 849 1      C-13-H3C(O)CH3
  629265.6314  0.0107 -5.2123 3  658.4856936  59516140458 950 1    57 949 1      C-13-H3C(O)CH3
  629265.6314  0.0107 -5.2123 3  658.4856936  59516140458 850 1    57 849 1      C-13-H3C(O)CH3
  629265.6314  0.0107 -3.6144 3  658.4856936  59516140458 850 1    57 949 1      C-13-H3C(O)CH3
  629266.1623  0.0106 -3.8787 3  658.4853936  59516140458 950 2    57 849 2      C-13-H3C(O)CH3
  629266.1623  0.0106 -3.9322 3  658.4853936  59516140458 850 2    57 849 2      C-13-H3C(O)CH3
  629266.1623  0.0106 -3.8787 3  658.4853936  59516140458 850 2    57 949 2      C-13-H3C(O)CH3
  629266.1623  0.0106 -3.9322 3  658.4853936  59516140458 950 2    57 949 2      C-13-H3C(O)CH3
  629271.9536  0.0054 -4.3810 3  658.5160936  59516140458 850 0    57 849 0      C-13-H3C(O)CH3
  629271.9536  0.0054 -4.3810 3  658.5160936  59516140458 950 0    57 949 0      C-13-H3C(O)CH3
  629271.9536  0.0054 -3.6830 3  658.5160936  59516140458 850 0    57 949 0      C-13-H3C(O)CH3
  629271.9536  0.0054 -3.6830 3  658.5160936  59516140458 950 0    57 849 0      C-13-H3C(O)CH3
  629272.3707  0.0041 -3.5733 3  331.6688568  595161404352312 1    342213 1      C-13-H3C(O)CH3
  629286.1112  0.0870 -5.8814 3 1208.3900652  59516140481 874 4    81 775 4      C-13-H3C(O)CH3
  629286.1112  0.0870 -5.8814 3 1208.3900652  59516140481 774 4    81 675 4      C-13-H3C(O)CH3
  629286.2872  0.0869 -5.8298 3 1208.3901652  59516140481 774 3    81 675 3      C-13-H3C(O)CH3
  629286.2872  0.0869 -5.8298 3 1208.3901652  59516140481 874 3    81 775 3      C-13-H3C(O)CH3
  629298.5436  0.0051 -3.5757 3  331.6690568  595161404352312 2    342213 2      C-13-H3C(O)CH3
  629308.8159  0.0505 -6.2471 3  806.7906888  595161404552926 0    552629 0      C-13-H3C(O)CH3
  629309.3136  0.0053 -3.8765 3  331.6471284  595161404352312 4    342213 4      C-13-H3C(O)CH3
  629314.7026  0.0723 -6.2469 3  806.7913888  595161404552926 2    552629 2      C-13-H3C(O)CH3
  629320.3557  0.0538 -6.2464 3  806.7913888  595161404552926 1    552629 1      C-13-H3C(O)CH3
  629320.4734  0.0057 -3.8780 3  331.6470284  595161404352312 3    342213 3      C-13-H3C(O)CH3
  629326.4167  0.0971 -5.8603 3  984.0334476  595161404594119 4    584216 4      C-13-H3C(O)CH3
  629330.4983  0.1013 -5.5594 3  983.9929952  595161404594119 2    584216 2      C-13-H3C(O)CH3
  629331.5850  0.0048 -4.0138 3  212.6339472  595161404291614 0    281315 0      C-13-H3C(O)CH3
  629444.6972  0.0502 -6.2469 3  806.7906888  595161404553026 0    552729 0      C-13-H3C(O)CH3
  629448.6999  0.0695 -4.7239 3  655.3669792  595161404493019 1    483118 1      C-13-H3C(O)CH3
  629459.0018  0.0701 -6.2467 3  806.7913888  595161404553026 2    552729 2      C-13-H3C(O)CH3
  629463.8505  0.1141 -5.5597 3  983.9840952  595161404594119 1    584216 1      C-13-H3C(O)CH3
  629464.7141  0.0538 -6.2463 3  806.7913888  595161404553026 1    552729 1      C-13-H3C(O)CH3
  629465.6823  0.1137 -5.5593 3  983.9435952  595161404594119 0    584216 0      C-13-H3C(O)CH3
  629472.8029  0.1137 -5.5593 3  983.9435952  595161404594118 0    584217 0      C-13-H3C(O)CH3
  629490.6964  0.0189 -6.1677 3  626.8005792  595161404492425 0    492128 0      C-13-H3C(O)CH3
  629495.0746  0.0189 -6.1677 3  626.8005792  595161404492525 0    492228 0      C-13-H3C(O)CH3
  629516.3412  0.0053 -4.5873 3  594.0375808  595161404501833 0    491832 0      C-13-H3C(O)CH3
  629516.3412  0.0053 -3.7431 3  594.0375808  595161404501733 0    491832 0      C-13-H3C(O)CH3
  629516.3412  0.0053 -3.7431 3  594.0375808  595161404501833 0    491732 0      C-13-H3C(O)CH3
  629516.3412  0.0053 -4.5873 3  594.0375808  595161404501733 0    491732 0      C-13-H3C(O)CH3
  629545.3026  0.0078 -3.6851 3  594.0157808  595161404501733 1    491732 1      C-13-H3C(O)CH3
  629545.3026  0.0078 -3.6851 3  594.0157808  595161404501833 1    491832 1      C-13-H3C(O)CH3
  629548.2159  0.0079 -4.6771 3  594.0149808  595161404501833 2    491732 2      C-13-H3C(O)CH3
  629548.2159  0.0079 -3.7127 3  594.0149808  595161404501733 2    491832 2      C-13-H3C(O)CH3
  629548.2159  0.0079 -4.8936 3  594.0149808  595161404501733 2    491732 2      C-13-H3C(O)CH3
  629548.2159  0.0079 -3.7316 3  594.0149808  595161404501833 2    491832 2      C-13-H3C(O)CH3
  629577.2234  0.0084 -3.9878 3  593.9930404  595161404501833 3    491732 3      C-13-H3C(O)CH3
  629577.2234  0.0084 -3.9860 3  593.9930404  595161404501733 3    491832 3      C-13-H3C(O)CH3
  629577.2505  0.0084 -4.6460 3  593.9930404  595161404501833 4    491832 4      C-13-H3C(O)CH3
  629577.2505  0.0084 -4.0932 3  593.9930404  595161404501833 4    491732 4      C-13-H3C(O)CH3
  629577.2505  0.0084 -4.0932 3  593.9930404  595161404501733 4    491832 4      C-13-H3C(O)CH3
  629577.2505  0.0084 -4.6460 3  593.9930404  595161404501733 4    491732 4      C-13-H3C(O)CH3
  629581.0585  0.0899 -5.8608 3  984.0282476  595161404594119 3    584216 3      C-13-H3C(O)CH3
  629587.4440  0.0283 -6.1676 3  626.7844792  595161404492425 2    492128 2      C-13-H3C(O)CH3
  629592.1974  0.0282 -6.1676 3  626.7844792  595161404492525 2    492228 2      C-13-H3C(O)CH3
  629602.2945  0.0208 -6.1665 3  626.7855792  595161404492425 1    492128 1      C-13-H3C(O)CH3
  629606.9767  0.0209 -6.1665 3  626.7855792  595161404492525 1    492228 1      C-13-H3C(O)CH3
  629659.0466  0.1005 -5.7946 3 1064.9247984  595161404614418 0    604515 0      C-13-H3C(O)CH3
  629659.1571  0.1005 -5.7946 3 1064.9247984  595161404614417 0    604516 0      C-13-H3C(O)CH3
  629676.5052  0.0860 -5.4702 3 1159.7003C88  59516140480 674 0    80 575 0      C-13-H3C(O)CH3
  629676.5052  0.0860 -6.1210 3 1159.7003C88  59516140480 774 0    80 675 0      C-13-H3C(O)CH3
  629676.5052  0.0860 -5.5760 3 1159.7003C88  59516140480 774 0    80 575 0      C-13-H3C(O)CH3
  629685.4534  0.1635 -5.5128 3 1159.6676C88  59516140480 774 1    80 575 1      C-13-H3C(O)CH3
  629685.4534  0.1635 -5.5128 3 1159.6676C88  59516140480 674 1    80 675 1      C-13-H3C(O)CH3
  629686.6958  0.1614 -6.1479 3 1159.6675C88  59516140480 774 2    80 675 2      C-13-H3C(O)CH3
  629686.6958  0.1614 -6.1479 3 1159.6675C88  59516140480 674 2    80 575 2      C-13-H3C(O)CH3
  629686.6958  0.1614 -5.5685 3 1159.6675C88  59516140480 674 2    80 675 2      C-13-H3C(O)CH3
  629686.6958  0.1614 -5.5685 3 1159.6675C88  59516140480 774 2    80 575 2      C-13-H3C(O)CH3
  629690.8066  0.0827 -5.8609 3  984.0271476  595161404594118 3    584217 3      C-13-H3C(O)CH3
  629695.1945  0.0817 -5.7911 3 1159.6348644  59516140480 774 4    80 575 4      C-13-H3C(O)CH3
  629695.1945  0.0817 -5.7911 3 1159.6348644  59516140480 674 4    80 675 4      C-13-H3C(O)CH3
  629695.6112  0.0816 -5.7805 3 1159.6348644  59516140480 774 3    80 675 3      C-13-H3C(O)CH3
  629695.6112  0.0816 -5.7805 3 1159.6348644  59516140480 674 3    80 575 3      C-13-H3C(O)CH3
  629695.8649  0.0938 -5.5594 3  983.9866952  595161404594118 2    584217 2      C-13-H3C(O)CH3
  629708.4965  0.0962 -5.7946 3 1064.9765984  595161404614417 2    604515 2      C-13-H3C(O)CH3
  629720.2777  0.1070 -5.5595 3  983.9787952  595161404594118 1    584217 1      C-13-H3C(O)CH3
  629775.1683  0.0186 -3.8992 3  335.4062284  595161404352412 3    342311 3      C-13-H3C(O)CH3
  629792.2676  0.0050 -3.8215 3  510.8345712 -595161404442421 0    432320 0      C-13-H3C(O)CH3
  629808.5770  0.1025 -5.7945 3 1064.9670984  595161404614417 1    604515 1      C-13-H3C(O)CH3
  629815.3625  0.0146 -3.8573 3  335.4048284  595161404352412 4    342311 4      C-13-H3C(O)CH3
  629820.8802  0.0171 -6.1009 3  128.0087344  5951614042120 1 1    2017 3 1      C-13-H3C(O)CH3
  629822.0973  0.0143 -3.5796 3  335.4299568  595161404352412 2    342311 2      C-13-H3C(O)CH3
  629833.5926  0.0057 -3.8216 3  510.8143712  595161404442421 1    432320 1      C-13-H3C(O)CH3
  629854.3897  0.0040 -3.4756 3  335.4240568  595161404352412 1    342311 1      C-13-H3C(O)CH3
  629858.5201  0.1026 -6.0955 3 1065.0188492  595161404614417 4    604515 4      C-13-H3C(O)CH3
  629873.7006  0.0055 -3.8217 3  510.8093712  595161404442421 2    432320 2      C-13-H3C(O)CH3
  629883.7871  0.0037 -3.4743 3  335.4481568 -595161404352412 0    342311 0      C-13-H3C(O)CH3
  629914.4944  0.0059 -4.1228 3  510.7891356  595161404442421 4    432320 4      C-13-H3C(O)CH3
  629915.7561  0.0061 -4.1228 3  510.7891356  595161404442421 3    432320 3      C-13-H3C(O)CH3
  629918.9453  0.0916 -5.7944 3 1064.9456984  595161404614418 1    604516 1      C-13-H3C(O)CH3
  629947.3914  0.0916 -5.8600 3  984.0218476  595161404594118 4    584217 4      C-13-H3C(O)CH3
  629958.9010  0.0894 -5.7946 3 1064.9503984  595161404614418 2    604516 2      C-13-H3C(O)CH3
  629968.2191  0.0997 -6.0956 3 1064.9974492  595161404614417 3    604515 3      C-13-H3C(O)CH3
  629991.0342  0.0768 -4.7152 3  655.3660792  595161404493019 0    483118 0      C-13-H3C(O)CH3
  630043.3739  0.0160 -6.1036 3  128.0186344  5951614042120 1 2    2017 3 2      C-13-H3C(O)CH3
  630067.9377  0.0763 -6.0485 3 1111.4630636  59516140479 674 4    79 575 4      C-13-H3C(O)CH3
  630067.9377  0.0763 -6.0485 3 1111.4630636  59516140479 574 4    79 475 4      C-13-H3C(O)CH3
  630067.9377  0.0763 -6.0421 3 1111.4630636  59516140479 674 4    79 475 4      C-13-H3C(O)CH3
  630067.9377  0.0763 -6.0421 3 1111.4630636  59516140479 574 4    79 575 4      C-13-H3C(O)CH3
  630068.6018  0.0762 -5.7644 3 1111.4630636  59516140479 574 3    79 575 3      C-13-H3C(O)CH3
  630068.6018  0.0762 -5.7644 3 1111.4630636  59516140479 674 3    79 475 3      C-13-H3C(O)CH3
  630091.8390  0.0177 -6.0987 3  127.9542344  5951614042120 2 2    2017 4 2      C-13-H3C(O)CH3
  630094.5669  0.0047 -3.5101 3  321.7856268  5951614043328 6 4    3227 6 4      C-13-H3C(O)CH3
  630108.7155  0.1006 -6.0956 3 1064.9926492  595161404614418 3    604516 3      C-13-H3C(O)CH3
  630143.8450  0.0039 -3.2089 3  321.8191536 -5951614043328 6 1    3227 6 1      C-13-H3C(O)CH3
  630149.6345  0.0038 -3.2089 3  321.8378536  5951614043328 6 2    3227 5 2      C-13-H3C(O)CH3
  630178.5321  0.1691 -5.4554 3 1111.4919C72  59516140479 674 1    79 475 1      C-13-H3C(O)CH3
  630178.5321  0.1691 -5.4554 3 1111.4919C72  59516140479 574 1    79 575 1      C-13-H3C(O)CH3
  630181.0795  0.1683 -5.7581 3 1111.4917C72  59516140479 674 2    79 475 2      C-13-H3C(O)CH3
  630181.0795  0.1683 -5.7306 3 1111.4917C72  59516140479 574 2    79 475 2      C-13-H3C(O)CH3
  630181.0795  0.1683 -5.7581 3 1111.4917C72  59516140479 574 2    79 575 2      C-13-H3C(O)CH3
  630181.0795  0.1683 -5.7306 3 1111.4917C72  59516140479 674 2    79 575 2      C-13-H3C(O)CH3
  630199.4066  0.0036 -3.2088 3  321.8712536 -5951614043328 6 0    3227 5 0      C-13-H3C(O)CH3
  630199.4066  0.0036 -3.2088 3  321.8712536 -5951614043328 5 0    3227 6 0      C-13-H3C(O)CH3
  630212.7138  0.0174 -6.0975 3  127.9406344  5951614042120 2 1    2017 4 1      C-13-H3C(O)CH3
  630219.9272  0.1033 -6.0955 3 1064.9712492  595161404614418 4    604516 4      C-13-H3C(O)CH3
  630244.8408  0.0047 -3.5099 3  321.7814268  5951614043328 6 3    3227 6 3      C-13-H3C(O)CH3
  630260.2893  0.0232 -5.1672 3  194.2225220  5951614042719 9 4    261610 4      C-13-H3C(O)CH3
  630290.8995  0.0888 -5.6760 3 1111.5205C72  59516140479 674 0    79 575 0      C-13-H3C(O)CH3
  630290.8995  0.0888 -5.8247 3 1111.5205C72  59516140479 674 0    79 475 0      C-13-H3C(O)CH3
  630290.8995  0.0888 -5.8247 3 1111.5205C72  59516140479 574 0    79 575 0      C-13-H3C(O)CH3
  630290.8995  0.0888 -5.6760 3 1111.5205C72  59516140479 574 0    79 475 0      C-13-H3C(O)CH3
  630299.6040  0.0038 -3.2087 3  321.8334536 -5951614043328 5 2    3227 6 2      C-13-H3C(O)CH3
  630306.0962  0.0046 -3.5097 3  321.7907268  5951614043328 5 3    3227 5 3      C-13-H3C(O)CH3
  630355.0318  0.0038 -3.2085 3  321.8241536 -5951614043328 5 1    3227 5 1      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.9604 3  665.1840476 -59516140459 852 4    58 851 4      C-13-H3C(O)CH3
  630373.1965  0.0058 -3.9369 3  665.1840476 -59516140459 852 4    58 751 4      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.1011 3  665.1840476 -59516140459 852 3    58 851 3      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.3245 3  665.1840476 -59516140459 852 3    58 751 3      C-13-H3C(O)CH3
  630373.1965  0.0058 -3.9369 3  665.1840476 -59516140459 752 4    58 851 4      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.9604 3  665.1840476 -59516140459 752 4    58 751 4      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.1011 3  665.1840476 -59516140459 752 3    58 751 3      C-13-H3C(O)CH3
  630373.1965  0.0058 -4.3245 3  665.1840476 -59516140459 752 3    58 851 3      C-13-H3C(O)CH3
  630384.6820  0.0101 -3.5991 3  665.2138952  59516140459 852 1    58 851 1      C-13-H3C(O)CH3
  630384.6820  0.0101 -5.8374 3  665.2138952  59516140459 852 1    58 751 1      C-13-H3C(O)CH3
  630384.6820  0.0101 -3.5991 3  665.2138952  59516140459 752 1    58 751 1      C-13-H3C(O)CH3
  630384.6820  0.0101 -5.8374 3  665.2138952  59516140459 752 1    58 851 1      C-13-H3C(O)CH3
  630385.1401  0.0099 -3.9172 3  665.2135952  59516140459 752 2    58 851 2      C-13-H3C(O)CH3
  630385.1401  0.0099 -3.9172 3  665.2135952  59516140459 852 2    58 751 2      C-13-H3C(O)CH3
  630385.1401  0.0099 -3.8789 3  665.2135952  59516140459 852 2    58 851 2      C-13-H3C(O)CH3
  630385.1401  0.0099 -3.8789 3  665.2135952  59516140459 752 2    58 751 2      C-13-H3C(O)CH3
  630396.1172  0.0052 -3.8995 3  665.2432952 -59516140459 852 0    58 851 0      C-13-H3C(O)CH3
  630396.1172  0.0052 -3.8959 3  665.2432952 -59516140459 852 0    58 751 0      C-13-H3C(O)CH3
  630396.1172  0.0052 -3.8995 3  665.2432952 -59516140459 752 0    58 751 0      C-13-H3C(O)CH3
  630396.1172  0.0052 -3.8959 3  665.2432952 -59516140459 752 0    58 851 0      C-13-H3C(O)CH3
  630399.7140  0.0711 -5.7404 3 1063.8763628  59516140478 574 4    78 475 4      C-13-H3C(O)CH3
  630399.7140  0.0711 -5.7400 3 1063.8763628  59516140478 474 4    78 375 4      C-13-H3C(O)CH3
  630400.5355  0.0710 -6.0136 3 1063.8763628  59516140478 474 3    78 375 3      C-13-H3C(O)CH3
  630400.5355  0.0710 -6.0695 3 1063.8763628  59516140478 474 3    78 475 3      C-13-H3C(O)CH3
  630400.5355  0.0710 -6.0136 3 1063.8763628  59516140478 574 3    78 475 3      C-13-H3C(O)CH3
  630400.5355  0.0710 -6.0695 3 1063.8763628  59516140478 574 3    78 375 3      C-13-H3C(O)CH3
  630410.5730  0.0053 -5.4002 3  605.7561824  595161404511735 0    501634 0      C-13-H3C(O)CH3
  630410.5730  0.0053 -5.4002 3  605.7561824  595161404511635 0    501734 0      C-13-H3C(O)CH3
  630410.5730  0.0053 -3.6846 3  605.7561824  595161404511635 0    501634 0      C-13-H3C(O)CH3
  630410.5730  0.0053 -3.6846 3  605.7561824  595161404511735 0    501734 0      C-13-H3C(O)CH3
  630436.4472  0.0129 -3.8859 3  288.6323536  595161404332013 2    321914 2      C-13-H3C(O)CH3
  630437.5393  0.0082 -4.3254 3  605.7334824  595161404511635 1    501734 1      C-13-H3C(O)CH3
  630437.5393  0.0082 -3.7866 3  605.7334824  595161404511735 1    501734 1      C-13-H3C(O)CH3
  630437.5393  0.0082 -3.7866 3  605.7334824  595161404511635 1    501634 1      C-13-H3C(O)CH3
  630437.5393  0.0082 -4.3254 3  605.7334824  595161404511735 1    501634 1      C-13-H3C(O)CH3
  630439.8170  0.0083 -6.0863 3  605.7327824  595161404511635 2    501734 2      C-13-H3C(O)CH3
  630439.8170  0.0083 -6.1022 3  605.7327824  595161404511735 2    501634 2      C-13-H3C(O)CH3
  630439.8170  0.0083 -3.6779 3  605.7327824  595161404511635 2    501634 2      C-13-H3C(O)CH3
  630439.8170  0.0083 -3.6779 3  605.7327824  595161404511735 2    501734 2      C-13-H3C(O)CH3
  630455.4504  0.0052 -3.5095 3  321.7864268  5951614043328 5 4    3227 5 4      C-13-H3C(O)CH3
  630466.8268  0.0085 -3.9776 3  605.7099412  595161404511735 3    501734 3      C-13-H3C(O)CH3
  630466.8268  0.0085 -3.9776 3  605.7099412  595161404511635 3    501634 3      C-13-H3C(O)CH3
  630466.8484  0.0085 -4.6657 3  605.7099412  595161404511635 4    501734 4      C-13-H3C(O)CH3
  630466.8484  0.0085 -4.2833 3  605.7099412  595161404511735 4    501634 4      C-13-H3C(O)CH3
  630466.8484  0.0085 -4.2733 3  605.7099412  595161404511735 4    501734 4      C-13-H3C(O)CH3
  630466.8484  0.0085 -4.0768 3  605.7099412  595161404511635 4    501634 4      C-13-H3C(O)CH3
  630504.0089  0.0040 -6.1544 3  335.4240568  595161404352411 1    342311 1      C-13-H3C(O)CH3
  630585.9671  0.0106 -3.8869 3  288.6561536  595161404332013 0    321914 0      C-13-H3C(O)CH3
  630599.6436  0.0070 -4.3813 3  335.4062284  595161404352411 3    342311 3      C-13-H3C(O)CH3
  630613.9283  0.0160 -4.1877 3  288.6141268  595161404332013 4    321914 4      C-13-H3C(O)CH3
  630624.2660  0.0153 -4.1878 3  288.6142268  595161404332013 3    321914 3      C-13-H3C(O)CH3
  630641.6642  0.0107 -4.5410 3  335.4048284  595161404352411 4    342311 4      C-13-H3C(O)CH3
  630644.8958  0.0076 -4.1400 3  335.4299568 -595161404352411 2    342311 2      C-13-H3C(O)CH3
  630675.3674  0.1501 -5.4616 3 1063.8955C56  59516140478 574 1    78 475 1      C-13-H3C(O)CH3
  630675.3674  0.1501 -5.4616 3 1063.8955C56  59516140478 474 1    78 375 1      C-13-H3C(O)CH3
  630678.6406  0.1496 -5.4604 3 1063.8952C56  59516140478 474 2    78 475 2      C-13-H3C(O)CH3
  630678.6406  0.1496 -5.4604 3 1063.8952C56  59516140478 574 2    78 375 2      C-13-H3C(O)CH3
  630685.5096  0.0720 -5.8007 3 1016.8768620  59516140477 374 4    77 275 4      C-13-H3C(O)CH3
  630685.5096  0.0720 -5.8007 3 1016.8768620  59516140477 474 4    77 375 4      C-13-H3C(O)CH3
  630686.2125  0.0718 -5.8089 3 1016.8767620  59516140477 374 3    77 375 3      C-13-H3C(O)CH3
  630686.2125  0.0718 -5.8089 3 1016.8767620  59516140477 474 3    77 275 3      C-13-H3C(O)CH3
  630764.3736  0.0119 -3.8877 3  288.6380536  595161404332013 1    321914 1      C-13-H3C(O)CH3
  630771.0413  0.0182 -6.1030 3  128.0011344  5951614042120 2 0    2017 3 0      C-13-H3C(O)CH3
  630771.6562  0.0182 -6.1030 3  128.0011344  5951614042120 1 0    2017 4 0      C-13-H3C(O)CH3
  630838.6727  0.0156 -4.8142 3  194.2311440  5951614042719 9 1    261610 1      C-13-H3C(O)CH3
  630849.4840  0.0180 -5.0220 3  194.2226220  5951614042719 9 3    261610 3      C-13-H3C(O)CH3
  630919.9878  0.0913 -6.2461 3  970.4662612  59516140476 374 3    76 175 3      C-13-H3C(O)CH3
  630919.9878  0.0913 -6.1354 3  970.4662612  59516140476 274 3    76 175 3      C-13-H3C(O)CH3
  630919.9878  0.0913 -6.1491 3  970.4662612  59516140476 274 3    76 275 3      C-13-H3C(O)CH3
  630919.9878  0.0913 -6.0584 3  970.4662612  59516140476 374 3    76 275 3      C-13-H3C(O)CH3
  630920.0039  0.0916 -5.9297 3  970.4663612  59516140476 374 4    76 275 4      C-13-H3C(O)CH3
  630920.0039  0.0916 -5.9297 3  970.4663612  59516140476 274 4    76 175 4      C-13-H3C(O)CH3
  630953.2146  0.0814 -5.4749 3 1063.9144C56  59516140478 574 0    78 375 0      C-13-H3C(O)CH3
  630953.2146  0.0814 -5.4749 3 1063.9144C56  59516140478 474 0    78 475 0      C-13-H3C(O)CH3
  631095.8228  0.1393 -6.0462 3  924.6470604  59516140475 274 3    75 175 3      C-13-H3C(O)CH3
  631095.8228  0.1393 -6.0462 3  924.6470604  59516140475 174 3    75 075 3      C-13-H3C(O)CH3
  631097.6912  0.1391 -6.0564 3  924.6470604  59516140475 274 4    75 075 4      C-13-H3C(O)CH3
  631097.6912  0.1391 -6.0528 3  924.6470604  59516140475 174 4    75 175 4      C-13-H3C(O)CH3
  631179.3461  0.1138 -5.4634 3 1016.8787C40  59516140477 474 1    77 375 1      C-13-H3C(O)CH3
  631179.3461  0.1138 -5.4634 3 1016.8787C40  59516140477 374 1    77 275 1      C-13-H3C(O)CH3
  631181.9962  0.1118 -5.7288 3 1016.8783C40  59516140477 474 2    77 275 2      C-13-H3C(O)CH3
  631181.9962  0.1118 -5.8008 3 1016.8783C40  59516140477 474 2    77 375 2      C-13-H3C(O)CH3
  631181.9962  0.1118 -5.7288 3 1016.8783C40  59516140477 374 2    77 375 2      C-13-H3C(O)CH3
  631181.9962  0.1118 -5.8008 3 1016.8783C40  59516140477 374 2    77 275 2      C-13-H3C(O)CH3
  631236.8034  0.0087 -4.5390 3  335.3574284  595161404352412 4    342312 4      C-13-H3C(O)CH3
  631257.4283  0.0048 -3.6132 3  327.5021276  5951614043426 9 4    3325 8 4      C-13-H3C(O)CH3
  631263.4880  0.0066 -4.1383 3  335.3818568 -595161404352412 2    342312 2      C-13-H3C(O)CH3
  631265.6616  0.0035 -6.1561 3  335.3769568  595161404352412 1    342312 1      C-13-H3C(O)CH3
  631276.8714  0.0066 -4.3799 3  335.3561284  595161404352412 3    342312 3      C-13-H3C(O)CH3
  631280.6597  0.0041 -3.3120 3  327.5250552  5951614043426 9 1    3325 8 1      C-13-H3C(O)CH3
  631288.3582  0.0346 -6.2126 3  327.5383552  5951614043426 9 2    3325 8 2      C-13-H3C(O)CH3
  631332.4966  0.0041 -3.3123 3  327.5368552 -5951614043426 9 2    3325 9 2      C-13-H3C(O)CH3
  631353.4760  0.0035 -3.3117 3  327.5595552 -5951614043426 9 0    3325 8 0      C-13-H3C(O)CH3
  631357.4297  0.0035 -3.3117 3  327.5594552 -5951614043426 8 0    3325 9 0      C-13-H3C(O)CH3
  631363.4708  0.0053 -4.8531 3  616.9080840  595161404521637 0    511636 0      C-13-H3C(O)CH3
  631363.4708  0.0053 -3.6723 3  616.9080840  595161404521537 0    511636 0      C-13-H3C(O)CH3
  631363.4708  0.0053 -3.6981 3  616.9080840  595161404521637 0    511536 0      C-13-H3C(O)CH3
  631363.4708  0.0053 -5.7600 3  616.9080840  595161404521537 0    511536 0      C-13-H3C(O)CH3
  631373.1296  0.0045 -3.6133 3  327.5036276  5951614043426 8 3    3325 8 3      C-13-H3C(O)CH3
  631388.0074  0.0087 -3.7886 3  616.8842840  595161404521537 1    511536 1      C-13-H3C(O)CH3
  631388.0074  0.0087 -4.2860 3  616.8842840  595161404521537 1    511636 1      C-13-H3C(O)CH3
  631388.0074  0.0087 -4.2860 3  616.8842840  595161404521637 1    511536 1      C-13-H3C(O)CH3
  631388.0074  0.0087 -3.7886 3  616.8842840  595161404521637 1    511636 1      C-13-H3C(O)CH3
  631389.8084  0.0088 -5.6297 3  616.8836840  595161404521637 2    511536 2      C-13-H3C(O)CH3
  631389.8084  0.0088 -3.6734 3  616.8836840  595161404521537 2    511536 2      C-13-H3C(O)CH3
  631389.8084  0.0088 -3.6734 3  616.8836840  595161404521637 2    511636 2      C-13-H3C(O)CH3
  631389.8084  0.0088 -5.6297 3  616.8836840  595161404521537 2    511636 2      C-13-H3C(O)CH3
  631414.3850  0.0086 -4.7694 3  616.8597420  595161404521637 3    511536 3      C-13-H3C(O)CH3
  631414.3850  0.0086 -4.7694 3  616.8597420  595161404521537 3    511636 3      C-13-H3C(O)CH3
  631414.3850  0.0086 -4.0446 3  616.8597420  595161404521637 3    511636 3      C-13-H3C(O)CH3
  631414.3850  0.0086 -4.0446 3  616.8597420  595161404521537 3    511536 3      C-13-H3C(O)CH3
  631414.4001  0.0086 -6.1156 3  616.8597420  595161404521637 4    511636 4      C-13-H3C(O)CH3
  631414.4001  0.0086 -3.9728 3  616.8597420  595161404521537 4    511636 4      C-13-H3C(O)CH3
  631414.4001  0.0086 -3.9702 3  616.8597420  595161404521637 4    511536 4      C-13-H3C(O)CH3
  631437.2239  0.0043 -3.6129 3  327.4978276  5951614043426 9 3    3325 9 3      C-13-H3C(O)CH3
  631447.2571  0.0037 -3.3124 3  327.5383552 -5951614043426 8 2    3325 8 2      C-13-H3C(O)CH3
  631459.3457  0.0035 -3.3117 3  327.5206552 -5951614043426 8 1    3325 9 1      C-13-H3C(O)CH3
  631491.4600  0.0353 -6.2125 3  327.5368552  5951614043426 8 2    3325 9 2      C-13-H3C(O)CH3
  631496.4077  0.0053 -4.6342 3  671.3751484  59516140460 754 4    59 753 4      C-13-H3C(O)CH3
  631496.4077  0.0053 -3.9766 3  671.3751484  59516140460 754 4    59 653 4      C-13-H3C(O)CH3
  631496.4077  0.0053 -4.6342 3  671.3751484  59516140460 654 4    59 653 4      C-13-H3C(O)CH3
  631496.4077  0.0053 -3.9766 3  671.3751484  59516140460 654 4    59 753 4      C-13-H3C(O)CH3
  631496.4613  0.0053 -3.9584 3  671.3751484  59516140460 754 3    59 653 3      C-13-H3C(O)CH3
  631496.4613  0.0053 -4.7280 3  671.3751484  59516140460 654 3    59 653 3      C-13-H3C(O)CH3
  631496.4613  0.0053 -3.9584 3  671.3751484  59516140460 654 3    59 753 3      C-13-H3C(O)CH3
  631496.4613  0.0053 -4.7280 3  671.3751484  59516140460 754 3    59 753 3      C-13-H3C(O)CH3
  631513.6442  0.0087 -4.9505 3  671.4022968 -59516140460 654 2    59 753 2      C-13-H3C(O)CH3
  631513.6442  0.0087 -4.9505 3  671.4022968 -59516140460 754 2    59 653 2      C-13-H3C(O)CH3
  631513.6442  0.0090 -5.4804 3  671.4025968 -59516140460 654 1    59 653 1      C-13-H3C(O)CH3
  631513.6442  0.0090 -5.4804 3  671.4025968 -59516140460 754 1    59 753 1      C-13-H3C(O)CH3
  631513.6442  0.0090 -3.5949 3  671.4025968 -59516140460 654 1    59 753 1      C-13-H3C(O)CH3
  631513.6442  0.0087 -3.6086 3  671.4022968 -59516140460 754 2    59 753 2      C-13-H3C(O)CH3
  631513.6442  0.0090 -3.5949 3  671.4025968 -59516140460 754 1    59 653 1      C-13-H3C(O)CH3
  631513.6442  0.0087 -3.6086 3  671.4022968 -59516140460 654 2    59 653 2      C-13-H3C(O)CH3
  631530.5569  0.0049 -3.6136 3  671.4297968 -59516140460 754 0    59 653 0      C-13-H3C(O)CH3
  631530.5569  0.0049 -4.8541 3  671.4297968 -59516140460 754 0    59 753 0      C-13-H3C(O)CH3
  631530.5569  0.0049 -3.6136 3  671.4297968 -59516140460 654 0    59 753 0      C-13-H3C(O)CH3
  631530.5569  0.0049 -4.8541 3  671.4297968 -59516140460 654 0    59 653 0      C-13-H3C(O)CH3
  631552.4038  0.0042 -3.6130 3  327.4993276  5951614043426 8 4    3325 9 4      C-13-H3C(O)CH3
  631594.4890  0.0148 -4.7632 3  194.2180440  5951614042719 9 2    261610 2      C-13-H3C(O)CH3
  631616.3678  0.0170 -5.9907 3  194.2226220  5951614042719 8 3    261610 3      C-13-H3C(O)CH3
  631619.7930  0.0114 -6.3079 3  391.8000648  595161404401624 2    401327 2      C-13-H3C(O)CH3
  631619.7951  0.0114 -6.3079 3  391.8000648  595161404401724 2    401427 2      C-13-H3C(O)CH3
  631623.2770  0.0096 -6.3070 3  391.8289648  595161404401624 0    401327 0      C-13-H3C(O)CH3
  631623.2790  0.0096 -6.3068 3  391.8289648  595161404401724 0    401427 0      C-13-H3C(O)CH3
  631638.9334  0.0114 -6.3053 3  391.8014648  595161404401624 1    401327 1      C-13-H3C(O)CH3
  631638.9355  0.0114 -6.3053 3  391.8014648  595161404401724 1    401427 1      C-13-H3C(O)CH3
  631674.5494  0.0714 -5.6646 3 1016.8803C40  59516140477 374 0    77 275 0      C-13-H3C(O)CH3
  631674.5494  0.0714 -5.8890 3 1016.8803C40  59516140477 474 0    77 275 0      C-13-H3C(O)CH3
  631674.5494  0.0714 -5.6646 3 1016.8803C40  59516140477 474 0    77 375 0      C-13-H3C(O)CH3
  631674.5494  0.0714 -5.8890 3 1016.8803C40  59516140477 374 0    77 375 0      C-13-H3C(O)CH3
  631693.8962  0.1314 -5.5619 3  970.4412C24  59516140476 374 2    76 175 2      C-13-H3C(O)CH3
  631693.8962  0.1314 -5.5619 3  970.4412C24  59516140476 274 2    76 275 2      C-13-H3C(O)CH3
  631694.2179  0.1337 -5.5900 3  970.4416C24  59516140476 274 1    76 175 1      C-13-H3C(O)CH3
  631694.2179  0.1337 -5.5900 3  970.4416C24  59516140476 374 1    76 275 1      C-13-H3C(O)CH3
  631698.1904  0.0062 -4.5372 3  166.1396220  595161404271017 4    26 918 4      C-13-H3C(O)CH3
  631698.2448  0.0062 -4.5372 3  166.1396220  595161404271117 4    26 818 4      C-13-H3C(O)CH3
  631698.4150  0.0048 -4.5372 3  166.1396220  595161404271017 3    26 918 3      C-13-H3C(O)CH3
  631698.4699  0.0048 -4.5372 3  166.1396220  595161404271117 3    26 818 3      C-13-H3C(O)CH3
  631915.6773  0.0035 -3.4734 3  335.3769568 -595161404352411 1    342312 1      C-13-H3C(O)CH3
  631915.6773  0.0036 -3.4721 3  335.4017568 -595161404352411 0    342312 0      C-13-H3C(O)CH3
  631954.6898  0.0045 -4.2357 3  166.1346440  595161404271017 2    26 918 2      C-13-H3C(O)CH3
  631954.7460  0.0045 -4.2357 3  166.1346440  595161404271117 2    26 818 2      C-13-H3C(O)CH3
  631973.4761  0.0045 -4.2358 3  166.1360440  595161404271017 1    26 918 1      C-13-H3C(O)CH3
  631973.5293  0.0045 -4.2358 3  166.1360440  595161404271117 1    26 818 1      C-13-H3C(O)CH3
  631997.9749  0.0123 -4.6809 3  194.2267440  5951614042719 9 0    261610 0      C-13-H3C(O)CH3
  632036.8879  0.0897 -6.0378 3 1149.7264A16  595161404634717 0    624814 0      C-13-H3C(O)CH3
  632036.8892  0.0897 -6.0378 3 1149.7264A16  595161404634716 0    624815 0      C-13-H3C(O)CH3
  632063.1050  0.0167 -3.8550 3  335.3574284  595161404352411 4    342312 4      C-13-H3C(O)CH3
  632086.3537  0.0155 -3.5773 3  335.3818568  595161404352411 2    342312 2      C-13-H3C(O)CH3
  632090.7037  0.2003 -5.6050 3  801.6832436  595161404543421 4    533518 4      C-13-H3C(O)CH3
  632101.3468  0.0189 -3.8968 3  335.3561284  595161404352411 3    342312 3      C-13-H3C(O)CH3
  632122.5369  0.3354 -6.3176 3 1761.6763E80  595161404921775 0    921676 0      C-13-H3C(O)CH3
  632136.3700  0.0147 -5.2451 3  194.2311440  5951614042719 8 1    261610 1      C-13-H3C(O)CH3
  632155.7897  0.3971 -6.2885 3 1761.6993E80  595161404921775 2    921776 2      C-13-H3C(O)CH3
  632155.7897  0.3971 -6.2885 3 1761.6993E80  595161404921875 2    921676 2      C-13-H3C(O)CH3
  632209.0935  0.0192 -5.4283 3  194.2225220  5951614042719 8 4    261610 4      C-13-H3C(O)CH3
  632217.2050  0.2815 -5.7423 3  924.5839C08  59516140475 274 2    75 175 2      C-13-H3C(O)CH3
  632217.2050  0.2815 -5.7423 3  924.5839C08  59516140475 174 2    75 075 2      C-13-H3C(O)CH3
  632219.3299  0.1075 -6.0379 3 1149.7719A16  595161404634716 2    624814 2      C-13-H3C(O)CH3
  632222.9137  0.0962 -6.0378 3 1149.7314A16  595161404634717 1    624815 1      C-13-H3C(O)CH3
  632224.0992  0.2790 -5.7997 3  924.5841C08  59516140475 174 1    75 175 1      C-13-H3C(O)CH3
  632224.0992  0.2790 -5.7997 3  924.5841C08  59516140475 274 1    75 075 1      C-13-H3C(O)CH3
  632229.2370  0.0046 -4.2352 3  166.1310440  595161404271017 0    26 918 0      C-13-H3C(O)CH3
  632229.2915  0.0046 -4.2352 3  166.1310440  595161404271117 0    26 818 0      C-13-H3C(O)CH3
  632263.0938  0.0986 -6.0377 3 1149.7634A16  595161404634716 1    624814 1      C-13-H3C(O)CH3
  632287.3557  0.1253 -5.6353 3  906.9229460  595161404573820 4    563918 4      C-13-H3C(O)CH3
  632322.9539  0.0924 -6.0379 3 1149.7324A16  595161404634717 2    624815 2      C-13-H3C(O)CH3
  632359.3082  0.0054 -3.6620 3  627.4998856  595161404531539 0    521438 0      C-13-H3C(O)CH3
  632359.3082  0.0054 -3.6620 3  627.4998856  595161404531439 0    521538 0      C-13-H3C(O)CH3
  632380.9797  0.0093 -3.6622 3  627.4748856  595161404531539 1    521538 1      C-13-H3C(O)CH3
  632380.9797  0.0093 -3.6622 3  627.4748856  595161404531439 1    521438 1      C-13-H3C(O)CH3
  632382.4180  0.0093 -4.0574 3  627.4743856  595161404531439 2    521438 2      C-13-H3C(O)CH3
  632382.4180  0.0093 -3.8853 3  627.4743856  595161404531439 2    521538 2      C-13-H3C(O)CH3
  632382.4180  0.0093 -4.0574 3  627.4743856  595161404531539 2    521538 2      C-13-H3C(O)CH3
  632382.4180  0.0093 -3.8853 3  627.4743856  595161404531539 2    521438 2      C-13-H3C(O)CH3
  632404.1258  0.0086 -3.9655 3  627.4492428  595161404531539 3    521438 3      C-13-H3C(O)CH3
  632404.1258  0.0086 -6.1761 3  627.4492428  595161404531539 3    521538 3      C-13-H3C(O)CH3
  632404.1258  0.0086 -6.1761 3  627.4492428  595161404531439 3    521438 3      C-13-H3C(O)CH3
  632404.1258  0.0086 -3.9655 3  627.4492428  595161404531439 3    521538 3      C-13-H3C(O)CH3
  632404.1335  0.0085 -4.6871 3  627.4492428  595161404531539 4    521538 4      C-13-H3C(O)CH3
  632404.1335  0.0085 -4.6871 3  627.4492428  595161404531439 4    521438 4      C-13-H3C(O)CH3
  632404.1335  0.0085 -4.0536 3  627.4492428  595161404531539 4    521438 4      C-13-H3C(O)CH3
  632404.1335  0.0085 -4.0536 3  627.4492428  595161404531439 4    521538 4      C-13-H3C(O)CH3
  632405.6743  0.1285 -6.3389 3 1149.7769508  595161404634716 3    624814 3      C-13-H3C(O)CH3
  632446.1799  0.1358 -6.3389 3 1149.8089508  595161404634716 4    624814 4      C-13-H3C(O)CH3
  632456.3121  0.1965 -6.1469 3  906.9401460  595161404573820 3    563917 3      C-13-H3C(O)CH3
  632466.8467  0.0995 -5.8423 3  970.4166C24  59516140476 274 0    76 175 0      C-13-H3C(O)CH3
  632466.8467  0.0995 -5.8346 3  970.4166C24  59516140476 274 0    76 275 0      C-13-H3C(O)CH3
  632466.8467  0.0995 -5.7177 3  970.4166C24  59516140476 374 0    76 275 0      C-13-H3C(O)CH3
  632466.8467  0.0995 -6.0061 3  970.4166C24  59516140476 374 0    76 175 0      C-13-H3C(O)CH3
  632495.6885  0.1178 -5.3426 3  906.8925920  595161404573820 2    563918 2      C-13-H3C(O)CH3
  632510.4206  0.1167 -6.3389 3 1149.7374508  595161404634717 4    624815 4      C-13-H3C(O)CH3
  632517.8276  0.0145 -5.4402 3  194.2180440  5951614042719 8 2    261610 2      C-13-H3C(O)CH3
  632550.0087  0.1187 -6.3389 3 1149.7694508  595161404634717 3    624815 3      C-13-H3C(O)CH3
  632555.2224  0.1043 -5.7898 3  906.9368460  595161404573820 3    563918 3      C-13-H3C(O)CH3
  632628.8599  0.0047 -4.3821 3  677.0295492  59516140461 656 4    60 655 4      C-13-H3C(O)CH3
  632628.8599  0.0047 -4.0478 3  677.0295492  59516140461 556 4    60 655 4      C-13-H3C(O)CH3
  632628.8657  0.0047 -4.0478 3  677.0295492 -59516140461 656 4    60 555 4      C-13-H3C(O)CH3
  632628.8657  0.0047 -4.3821 3  677.0295492 -59516140461 556 4    60 555 4      C-13-H3C(O)CH3
  632628.8657  0.0047 -4.1394 3  677.0295492 -59516140461 556 3    60 655 3      C-13-H3C(O)CH3
  632628.8657  0.0047 -4.2327 3  677.0295492 -59516140461 656 3    60 655 3      C-13-H3C(O)CH3
  632628.9092  0.0047 -4.1394 3  677.0295492  59516140461 656 3    60 555 3      C-13-H3C(O)CH3
  632628.9092  0.0047 -4.2327 3  677.0295492  59516140461 556 3    60 555 3      C-13-H3C(O)CH3
  632631.5420  0.0080 -4.3799 3  236.6865244  595161404301912 4    291613 4      C-13-H3C(O)CH3
  632635.2877  0.1103 -5.3478 3  906.8858920  595161404573820 1    563918 1      C-13-H3C(O)CH3
  632648.2764  0.0099 -4.3801 3  236.6862244  595161404301912 3    291613 3      C-13-H3C(O)CH3
  632650.7471  0.0074 -3.6642 3  677.0527984  59516140461 656 1    60 655 1      C-13-H3C(O)CH3
  632650.7471  0.0074 -4.3426 3  677.0527984  59516140461 556 1    60 655 1      C-13-H3C(O)CH3
  632651.0233  0.0074 -4.3426 3  677.0527984 -59516140461 656 1    60 555 1      C-13-H3C(O)CH3
  632651.0233  0.0072 -3.6737 3  677.0524984 -59516140461 556 2    60 655 2      C-13-H3C(O)CH3
  632651.0233  0.0072 -3.6737 3  677.0524984 -59516140461 656 2    60 555 2      C-13-H3C(O)CH3
  632651.0233  0.0074 -3.6642 3  677.0527984 -59516140461 556 1    60 555 1      C-13-H3C(O)CH3
  632651.0425  0.0072 -4.3000 3  677.0524984  59516140461 556 2    60 555 2      C-13-H3C(O)CH3
  632651.0425  0.0072 -4.3000 3  677.0524984  59516140461 656 2    60 655 2      C-13-H3C(O)CH3
  632652.2785  0.0091 -4.0788 3  236.7056488  595161404301912 1    291613 1      C-13-H3C(O)CH3
  632672.6874  0.0045 -3.6309 3  677.0756984 -59516140461 556 0    60 555 0      C-13-H3C(O)CH3
  632672.6874  0.0045 -4.5506 3  677.0756984 -59516140461 656 0    60 555 0      C-13-H3C(O)CH3
  632672.8611  0.0045 -4.5506 3  677.0756984  59516140461 556 0    60 655 0      C-13-H3C(O)CH3
  632672.8611  0.0045 -3.6309 3  677.0756984  59516140461 656 0    60 655 0      C-13-H3C(O)CH3
  632683.8054  0.3281 -6.3038 3 1706.5742E64  595161404911775 0    911576 0      C-13-H3C(O)CH3
  632683.8054  0.3281 -6.3038 3 1706.5742E64  595161404911675 0    911676 0      C-13-H3C(O)CH3
  632728.1026  0.1109 -5.3307 3  906.8557920  595161404573820 0    563917 0      C-13-H3C(O)CH3
  632732.8226  0.4047 -6.2417 3 1706.5939E64  595161404911675 1    911576 1      C-13-H3C(O)CH3
  632732.8226  0.4047 -6.2417 3 1706.5939E64  595161404911775 1    911676 1      C-13-H3C(O)CH3
  632744.4248  0.3988 -6.1939 3 1706.5945E64  595161404911675 2    911576 2      C-13-H3C(O)CH3
  632744.4248  0.3988 -6.1939 3 1706.5945E64  595161404911775 2    911676 2      C-13-H3C(O)CH3
  632791.5438  0.1015 -5.7896 3  906.9401460  595161404573819 3    563917 3      C-13-H3C(O)CH3
  632854.2397  0.0055 -4.2936 3  233.5573244  595161404301813 4    291514 4      C-13-H3C(O)CH3
  632859.8253  0.0054 -4.2936 3  233.5572244  595161404301813 3    291514 3      C-13-H3C(O)CH3
  632890.4540  0.1602 -6.1460 3  906.9368460  595161404573819 3    563918 3      C-13-H3C(O)CH3
  632893.3838  0.0086 -4.0808 3  236.6951488  595161404301912 2    291613 2      C-13-H3C(O)CH3
  632899.7998  0.0090 -4.0806 3  236.7144488  595161404301912 0    291613 0      C-13-H3C(O)CH3
  632913.6807  0.0056 -3.9925 3  233.5757488  595161404301813 1    291514 1      C-13-H3C(O)CH3
  632941.0532  0.0056 -3.9930 3  233.5695488  595161404301813 2    291514 2      C-13-H3C(O)CH3
  632948.2109  0.0953 -5.3424 3  906.9098920  595161404573819 2    563917 2      C-13-H3C(O)CH3
  632968.1567  0.1516 -5.1979 3  801.6438872  595161404543421 2    533518 2      C-13-H3C(O)CH3
  632995.6676  0.0059 -3.9929 3  233.5879488  595161404301813 0    291514 0      C-13-H3C(O)CH3
  633037.1878  0.1176 -5.3474 3  906.8998920  595161404573819 1    563917 1      C-13-H3C(O)CH3
  633043.2741  0.1119 -5.3302 3  906.8554920  595161404573819 0    563918 0      C-13-H3C(O)CH3
  633060.9869  0.0920 -5.6347 3  906.9541460  595161404573819 4    563917 4      C-13-H3C(O)CH3
  633084.4073  0.1099 -5.3676 3  801.6549436  595161404543421 3    533518 3      C-13-H3C(O)CH3
  633125.9001  0.0177 -5.9325 3  156.6139392  5951614042419 6 1    2316 7 1      C-13-H3C(O)CH3
  633229.0206  0.3120 -6.2697 3 1652.0453E48  595161404901575 0    901476 0      C-13-H3C(O)CH3
  633229.0206  0.3120 -6.2697 3 1652.0453E48  595161404901675 0    901576 0      C-13-H3C(O)CH3
  633232.8432  0.0931 -5.1649 3  801.6341872  595161404543421 1    533518 1      C-13-H3C(O)CH3
  633308.9976  0.3881 -6.1086 3 1652.0616E48  595161404901575 1    901476 1      C-13-H3C(O)CH3
  633308.9976  0.3881 -6.1086 3 1652.0616E48  595161404901675 1    901576 1      C-13-H3C(O)CH3
  633342.7709  0.1931 -5.7392 3  924.5212C08  59516140475 174 0    75 075 0      C-13-H3C(O)CH3
  633342.7709  0.1931 -5.7408 3  924.5212C08  59516140475 274 0    75 175 0      C-13-H3C(O)CH3
  633387.6915  0.0054 -3.9371 3  637.5366872 -595161404541441 0    531340 0      C-13-H3C(O)CH3
  633387.6915  0.0054 -3.9771 3  637.5366872 -595161404541441 0    531440 0      C-13-H3C(O)CH3
  633387.6915  0.0054 -3.9771 3  637.5366872 -595161404541341 0    531340 0      C-13-H3C(O)CH3
  633387.6915  0.0054 -3.9371 3  637.5366872 -595161404541341 0    531440 0      C-13-H3C(O)CH3
  633405.9379  0.0099 -4.1795 3  637.5103872  595161404541341 1    531440 1      C-13-H3C(O)CH3
  633405.9379  0.0099 -3.8100 3  637.5103872  595161404541441 1    531440 1      C-13-H3C(O)CH3
  633405.9379  0.0099 -3.8100 3  637.5103872  595161404541341 1    531340 1      C-13-H3C(O)CH3
  633405.9379  0.0099 -4.1795 3  637.5103872  595161404541441 1    531340 1      C-13-H3C(O)CH3
  633407.0984  0.0099 -5.8079 3  637.5099872  595161404541341 2    531340 2      C-13-H3C(O)CH3
  633407.0984  0.0099 -3.6586 3  637.5099872  595161404541341 2    531440 2      C-13-H3C(O)CH3
  633407.0984  0.0099 -5.8079 3  637.5099872  595161404541441 2    531440 2      C-13-H3C(O)CH3
  633407.0984  0.0099 -3.6586 3  637.5099872  595161404541441 2    531340 2      C-13-H3C(O)CH3
  633425.4905  0.0084 -4.7441 3  637.4835436  595161404541441 4    531440 4      C-13-H3C(O)CH3
  633425.4905  0.0084 -4.8009 3  637.4835436  595161404541341 4    531340 4      C-13-H3C(O)CH3
  633425.4905  0.0084 -4.0236 3  637.4835436  595161404541441 4    531340 4      C-13-H3C(O)CH3
  633425.4905  0.0084 -4.0339 3  637.4835436  595161404541341 4    531440 4      C-13-H3C(O)CH3
  633425.4911  0.0084 -3.9756 3  637.4835436  595161404541441 3    531440 3      C-13-H3C(O)CH3
  633425.4911  0.0084 -5.3224 3  637.4835436  595161404541441 3    531340 3      C-13-H3C(O)CH3
  633425.4911  0.0084 -3.9756 3  637.4835436  595161404541341 3    531340 3      C-13-H3C(O)CH3
  633425.4911  0.0084 -5.3224 3  637.4835436  595161404541341 3    531440 3      C-13-H3C(O)CH3
  633600.4853  0.0198 -5.8450 3  156.5992196  5951614042419 6 3    2316 7 3      C-13-H3C(O)CH3
  633641.8577  0.0174 -5.8056 3  156.6118392  5951614042419 6 2    2316 7 2      C-13-H3C(O)CH3
  633760.3449  0.2873 -6.1977 3 1598.0904E32  595161404891475 0    891476 0      C-13-H3C(O)CH3
  633760.3449  0.2873 -6.1977 3 1598.0904E32  595161404891575 0    891376 0      C-13-H3C(O)CH3
  633770.5843  0.0042 -4.3357 3  682.1488500  59516140462 458 4    61 557 4      C-13-H3C(O)CH3
  633770.5843  0.0042 -4.0585 3  682.1488500  59516140462 558 4    61 557 4      C-13-H3C(O)CH3
  633770.6221  0.0042 -4.0668 3  682.1488500  59516140462 558 3    61 557 3      C-13-H3C(O)CH3
  633770.6221  0.0042 -4.3205 3  682.1488500  59516140462 458 3    61 557 3      C-13-H3C(O)CH3
  633770.6418  0.0042 -4.3205 3  682.1488500 -59516140462 558 3    61 457 3      C-13-H3C(O)CH3
  633770.6418  0.0042 -4.0585 3  682.1488500 -59516140462 458 4    61 457 4      C-13-H3C(O)CH3
  633770.6418  0.0042 -4.3357 3  682.1488500 -59516140462 558 4    61 457 4      C-13-H3C(O)CH3
  633770.6418  0.0042 -4.0668 3  682.1488500 -59516140462 458 3    61 457 3      C-13-H3C(O)CH3
  633796.3055  0.0060 -4.4904 3  682.1652A00  59516140462 458 1    61 457 1      C-13-H3C(O)CH3
  633796.3055  0.0060 -3.6293 3  682.1652A00  59516140462 558 1    61 457 1      C-13-H3C(O)CH3
  633796.4948  0.0058 -4.5802 3  682.1648A00  59516140462 558 2    61 457 2      C-13-H3C(O)CH3
  633796.4948  0.0058 -3.6183 3  682.1648A00  59516140462 458 2    61 457 2      C-13-H3C(O)CH3
  633796.5046  0.0060 -3.6293 3  682.1652A00 -59516140462 458 1    61 557 1      C-13-H3C(O)CH3
  633796.5046  0.0058 -4.5802 3  682.1648A00 -59516140462 458 2    61 557 2      C-13-H3C(O)CH3
  633796.5046  0.0060 -4.4904 3  682.1652A00 -59516140462 558 1    61 557 1      C-13-H3C(O)CH3
  633796.5046  0.0058 -3.6183 3  682.1648A00 -59516140462 558 2    61 557 2      C-13-H3C(O)CH3
  633799.1449  0.0151 -5.6562 3  156.5992196  5951614042419 5 3    2316 7 3      C-13-H3C(O)CH3
  633803.8792  0.0640 -5.0545 3  801.6026872  595161404543421 0    533518 0      C-13-H3C(O)CH3
  633822.1485  0.0043 -3.8995 3  682.1812A00  59516140462 458 0    61 457 0      C-13-H3C(O)CH3
  633822.1485  0.0043 -3.8506 3  682.1812A00  59516140462 458 0    61 557 0      C-13-H3C(O)CH3
  633822.1485  0.0043 -3.8995 3  682.1812A00  59516140462 558 0    61 557 0      C-13-H3C(O)CH3
  633822.1485  0.0043 -3.8506 3  682.1812A00  59516140462 558 0    61 457 0      C-13-H3C(O)CH3
  633871.3704  0.3570 -6.1315 3 1598.1021E32  595161404891575 1    891476 1      C-13-H3C(O)CH3
  633871.3704  0.3570 -6.0844 3 1598.1021E32  595161404891475 1    891376 1      C-13-H3C(O)CH3
  633878.0228  0.3574 -6.0363 3 1598.1021E32  595161404891575 2    891376 2      C-13-H3C(O)CH3
  633878.0228  0.3574 -6.0363 3 1598.1021E32  595161404891475 2    891476 2      C-13-H3C(O)CH3
  634081.3132  0.0169 -6.1746 3  597.5450776  595161404482325 0    482028 0      C-13-H3C(O)CH3
  634082.8773  0.0169 -6.1746 3  597.5450776  595161404482425 0    482128 0      C-13-H3C(O)CH3
  634186.8267  0.0242 -6.1745 3  597.5260776  595161404482325 2    482028 2      C-13-H3C(O)CH3
  634188.5359  0.0242 -6.1745 3  597.5260776  595161404482425 2    482128 2      C-13-H3C(O)CH3
  634201.9023  0.0184 -6.1734 3  597.5272776  595161404482325 1    482028 1      C-13-H3C(O)CH3
  634203.5803  0.0185 -6.1734 3  597.5272776  595161404482425 1    482128 1      C-13-H3C(O)CH3
  634242.1447  0.0142 -5.6909 3  177.7467212  5951614042618 9 4    251511 4      C-13-H3C(O)CH3
  634280.4975  0.2548 -6.1401 3 1544.7103E16  595161404881475 0    881276 0      C-13-H3C(O)CH3
  634280.4975  0.2548 -6.1401 3 1544.7103E16  595161404881375 0    881376 0      C-13-H3C(O)CH3
  634338.3957  0.0081 -4.7921 3  139.8105212  59516140426 719 4    25 620 4      C-13-H3C(O)CH3
  634338.3957  0.0081 -4.7921 3  139.8105212  59516140426 819 4    25 520 4      C-13-H3C(O)CH3
  634338.5175  0.0064 -4.7921 3  139.8104212  59516140426 719 3    25 620 3      C-13-H3C(O)CH3
  634338.5175  0.0064 -4.7921 3  139.8104212  59516140426 819 3    25 520 3      C-13-H3C(O)CH3
  634401.1186  0.0149 -5.4770 3  156.6238196  5951614042419 5 4    2316 7 4      C-13-H3C(O)CH3
  634420.7255  0.3131 -5.9393 3 1544.7163E16  595161404881375 1    881276 1      C-13-H3C(O)CH3
  634420.7255  0.3131 -5.9393 3 1544.7163E16  595161404881475 1    881376 1      C-13-H3C(O)CH3
  634424.8625  0.3157 -5.9883 3 1544.7161E16  595161404881375 2    881376 2      C-13-H3C(O)CH3
  634424.8625  0.3157 -5.9883 3 1544.7161E16  595161404881475 2    881276 2      C-13-H3C(O)CH3
  634441.1589  0.0055 -4.8194 3  647.0223888 -595161404551243 0    541242 0      C-13-H3C(O)CH3
  634441.1589  0.0055 -3.6800 3  647.0223888 -595161404551243 0    541342 0      C-13-H3C(O)CH3
  634441.1589  0.0055 -3.6800 3  647.0223888 -595161404551343 0    541242 0      C-13-H3C(O)CH3
  634441.1589  0.0055 -4.8194 3  647.0223888 -595161404551343 0    541342 0      C-13-H3C(O)CH3
  634455.4220  0.0106 -3.6497 3  646.9947888 -595161404551343 1    541242 1      C-13-H3C(O)CH3
  634455.4220  0.0106 -3.6497 3  646.9947888 -595161404551243 1    541342 1      C-13-H3C(O)CH3
  634456.5668  0.0106 -4.0948 3  646.9943888 -595161404551243 2    541242 2      C-13-H3C(O)CH3
  634456.5668  0.0106 -3.8425 3  646.9943888 -595161404551343 2    541242 2      C-13-H3C(O)CH3
  634456.5668  0.0106 -4.0948 3  646.9943888 -595161404551343 2    541342 2      C-13-H3C(O)CH3
  634456.5668  0.0106 -3.8425 3  646.9943888 -595161404551243 2    541342 2      C-13-H3C(O)CH3
  634471.2394  0.0082 -3.9518 3  646.9666444  595161404551243 4    541342 4      C-13-H3C(O)CH3
  634471.2394  0.0082 -4.0384 3  646.9666444  595161404551343 4    541242 4      C-13-H3C(O)CH3
  634471.2394  0.0082 -4.6878 3  646.9666444  595161404551243 4    541242 4      C-13-H3C(O)CH3
  634471.2489  0.0082 -3.9813 3  646.9667444  595161404551243 3    541242 3      C-13-H3C(O)CH3
  634471.2489  0.0082 -3.9813 3  646.9667444  595161404551343 3    541342 3      C-13-H3C(O)CH3
  634471.2489  0.0082 -5.1160 3  646.9667444  595161404551343 3    541242 3      C-13-H3C(O)CH3
  634471.2489  0.0082 -5.1160 3  646.9667444  595161404551243 3    541342 3      C-13-H3C(O)CH3
  634547.1146  0.0055 -3.1094 3  323.9079520 -5951614043231 2 2    3130 2 2      C-13-H3C(O)CH3
  634562.5916  0.0077 -3.4103 3  323.8313260  5951614043231 2 4    3130 2 4      C-13-H3C(O)CH3
  634565.2812  0.1760 -6.2581 3 1544.7221708  595161404881375 3    881276 3      C-13-H3C(O)CH3
  634565.2812  0.1760 -6.2581 3 1544.7221708  595161404881475 3    881376 3      C-13-H3C(O)CH3
  634565.5228  0.1761 -6.2439 3 1544.7221708  595161404881375 4    881376 4      C-13-H3C(O)CH3
  634565.5228  0.1761 -6.2439 3 1544.7221708  595161404881475 4    881276 4      C-13-H3C(O)CH3
  634573.9667  0.0123 -3.8155 3  308.1163552  595161404342113 2    332014 2      C-13-H3C(O)CH3
  634586.7852  0.0741 -5.6041 3  801.5898872  595161404543421 2    533519 2      C-13-H3C(O)CH3
  634602.1734  0.0053 -3.1094 3  323.9733520 -5951614043231 2 0    3130 2 0      C-13-H3C(O)CH3
  634602.1734  0.0053 -3.1094 3  323.9733520 -5951614043231 1 0    3130 1 0      C-13-H3C(O)CH3
  634617.1039  0.0059 -3.1092 3  323.8966520 -5951614043231 2 1    3130 2 1      C-13-H3C(O)CH3
  634625.2775  0.0679 -5.7025 3  801.5876872  595161404543421 1    533519 1      C-13-H3C(O)CH3
  634663.1890  0.0109 -5.2169 3  156.6139392  5951614042419 5 1    2316 7 1      C-13-H3C(O)CH3
  634684.1588  0.0801 -5.7137 3  801.5967436  595161404543421 4    533519 4      C-13-H3C(O)CH3
  634705.9254  0.0097 -3.8167 3  308.1407552  595161404342113 0    332014 0      C-13-H3C(O)CH3
  634710.6114  0.0146 -4.1174 3  308.0968276  595161404342113 4    332014 4      C-13-H3C(O)CH3
  634726.4283  0.0156 -4.1176 3  308.0969276  595161404342113 3    332014 3      C-13-H3C(O)CH3
  634729.6028  0.0062 -4.4902 3  139.7882424  59516140426 719 2    25 620 2      C-13-H3C(O)CH3
  634729.6028  0.0062 -4.4902 3  139.7882424  59516140426 819 2    25 520 2      C-13-H3C(O)CH3
  634740.0920  0.0064 -4.4904 3  139.7890424  59516140426 719 1    25 620 1      C-13-H3C(O)CH3
  634740.0920  0.0064 -4.4904 3  139.7890424  59516140426 819 1    25 520 1      C-13-H3C(O)CH3
  634762.3476  0.0096 -5.6233 3  177.7538424  5951614042618 9 1    251511 1      C-13-H3C(O)CH3
  634769.6892  0.0055 -3.1091 3  323.9179520 -5951614043231 1 2    3130 1 2      C-13-H3C(O)CH3
  634784.4491  0.0075 -3.4100 3  323.8414260  5951614043231 2 3    3130 2 3      C-13-H3C(O)CH3
  634784.8822  0.0128 -5.4692 3  156.5150196  5951614042419 6 4    2316 8 4      C-13-H3C(O)CH3
  634792.8305  0.2164 -5.8882 3 1491.9056E00  595161404871375 0    871176 0      C-13-H3C(O)CH3
  634792.8305  0.2164 -5.8882 3 1491.9056E00  595161404871275 0    871276 0      C-13-H3C(O)CH3
  634794.5947  0.0073 -3.4100 3  323.8657260  5951614043231 1 3    3130 1 3      C-13-H3C(O)CH3
  634847.4188  0.0111 -3.8177 3  308.1214552  595161404342113 1    332014 1      C-13-H3C(O)CH3
  634849.8381  0.0056 -3.1090 3  323.9310520 -5951614043231 1 1    3130 1 1      C-13-H3C(O)CH3
  634921.9314  0.0038 -4.3907 3  686.7346508  59516140463 460 4    62 459 4      C-13-H3C(O)CH3
  634921.9314  0.0038 -4.0196 3  686.7346508  59516140463 360 4    62 459 4      C-13-H3C(O)CH3
  634921.9505  0.0038 -3.8714 3  686.7346508  59516140463 460 3    62 459 3      C-13-H3C(O)CH3
  634921.9505  0.0038 -5.7433 3  686.7346508  59516140463 360 3    62 459 3      C-13-H3C(O)CH3
  634922.0271  0.0038 -3.8714 3  686.7346508 -59516140463 360 3    62 359 3      C-13-H3C(O)CH3
  634922.0271  0.0038 -4.0196 3  686.7346508 -59516140463 460 4    62 359 4      C-13-H3C(O)CH3
  634922.0271  0.0038 -5.7433 3  686.7346508 -59516140463 460 3    62 359 3      C-13-H3C(O)CH3
  634922.0271  0.0038 -4.3907 3  686.7346508 -59516140463 360 4    62 359 4      C-13-H3C(O)CH3
  634949.4124  0.0057 -4.0307 3  686.7404A16  59516140463 360 1    62 359 1      C-13-H3C(O)CH3
  634949.4124  0.0057 -3.7463 3  686.7404A16  59516140463 460 1    62 359 1      C-13-H3C(O)CH3
  634949.4831  0.0056 -3.6750 3  686.7400A16  59516140463 360 2    62 359 2      C-13-H3C(O)CH3
  634949.4831  0.0056 -3.6750 3  686.7400A16  59516140463 460 2    62 459 2      C-13-H3C(O)CH3
  634949.5119  0.0057 -3.7463 3  686.7404A16 -59516140463 360 1    62 459 1      C-13-H3C(O)CH3
  634949.5119  0.0056 -4.2135 3  686.7400A16 -59516140463 360 2    62 459 2      C-13-H3C(O)CH3
  634949.5119  0.0056 -4.2135 3  686.7400A16 -59516140463 460 2    62 359 2      C-13-H3C(O)CH3
  634949.5119  0.0057 -4.0307 3  686.7404A16 -59516140463 460 1    62 459 1      C-13-H3C(O)CH3
  634958.0013  0.2592 -5.8881 3 1491.9050E00  595161404871275 1    871176 1      C-13-H3C(O)CH3
  634958.0013  0.2592 -5.8881 3 1491.9050E00  595161404871375 1    871276 1      C-13-H3C(O)CH3
  634959.8910  0.2630 -5.8668 3 1491.9047E00  595161404871275 2    871176 2      C-13-H3C(O)CH3
  634959.8910  0.2630 -5.8668 3 1491.9047E00  595161404871375 2    871276 2      C-13-H3C(O)CH3
  634968.3241  0.0105 -5.1424 3  156.6108392  5951614042419 6 0    2316 7 0      C-13-H3C(O)CH3
  634976.8669  0.0043 -4.1062 3  686.7459A16 -59516140463 360 0    62 359 0      C-13-H3C(O)CH3
  634976.8669  0.0043 -3.7117 3  686.7459A16 -59516140463 460 0    62 359 0      C-13-H3C(O)CH3
  634976.9034  0.0043 -4.1062 3  686.7459A16  59516140463 460 0    62 459 0      C-13-H3C(O)CH3
  634976.9034  0.0043 -3.7117 3  686.7459A16  59516140463 360 0    62 459 0      C-13-H3C(O)CH3
  634981.2171  0.0110 -5.2489 3  156.6118392  5951614042419 5 2    2316 7 2      C-13-H3C(O)CH3
  635016.5693  0.0076 -3.4097 3  323.8757260  5951614043231 1 4    3130 1 4      C-13-H3C(O)CH3
  635125.2562  0.1583 -6.2651 3 1491.9040700  595161404871275 3    871176 3      C-13-H3C(O)CH3
  635125.2562  0.1583 -6.2651 3 1491.9040700  595161404871375 3    871276 3      C-13-H3C(O)CH3
  635125.5169  0.1584 -6.3430 3 1491.9040700  595161404871275 4    871276 4      C-13-H3C(O)CH3
  635125.5169  0.1584 -6.3430 3 1491.9040700  595161404871375 4    871176 4      C-13-H3C(O)CH3
  635130.3505  0.0060 -4.4895 3  139.7668424  59516140426 819 0    25 520 0      C-13-H3C(O)CH3
  635130.3505  0.0060 -4.4895 3  139.7668424  59516140426 719 0    25 620 0      C-13-H3C(O)CH3
  635152.6562  0.0085 -5.9058 3  177.7494424  5951614042618 9 2    251511 2      C-13-H3C(O)CH3
  635266.9513  0.0345 -4.3357 3  519.7566356  595161404442519 3    432618 3      C-13-H3C(O)CH3
  635287.2024  0.0349 -4.3357 3  519.7561356  595161404442519 4    432618 4      C-13-H3C(O)CH3
  635301.4051  0.1749 -5.9924 3 1439.6768D84  595161404861275 0    861176 0      C-13-H3C(O)CH3
  635301.4051  0.1749 -5.9924 3 1439.6768D84  595161404861175 0    861076 0      C-13-H3C(O)CH3
  635301.4051  0.1749 -6.2149 3 1439.6768D84  595161404861175 0    861176 0      C-13-H3C(O)CH3
  635301.4051  0.1749 -6.2149 3 1439.6768D84  595161404861275 0    861076 0      C-13-H3C(O)CH3
  635376.2810  0.0153 -5.6561 3  156.5399196  5951614042419 6 3    2316 8 3      C-13-H3C(O)CH3
  635425.2335  0.0364 -4.0337 3  519.7726712  595161404442519 2    432618 2      C-13-H3C(O)CH3
  635458.7631  0.0102 -5.2131 3  156.5361392  5951614042419 6 1    2316 8 1      C-13-H3C(O)CH3
  635484.3189  0.2003 -5.8008 3 1439.6689D84  595161404861175 1    861176 1      C-13-H3C(O)CH3
  635484.3189  0.2003 -5.8348 3 1439.6689D84  595161404861275 1    861076 1      C-13-H3C(O)CH3
  635484.4292  0.2041 -5.8500 3 1439.6686D84  595161404861175 2    861176 2      C-13-H3C(O)CH3
  635484.4292  0.2041 -5.8500 3 1439.6686D84  595161404861275 2    861076 2      C-13-H3C(O)CH3
  635514.8504  0.0056 -3.8302 3  655.9600904  595161404561145 0    551144 0      C-13-H3C(O)CH3
  635514.8504  0.0056 -3.8302 3  655.9600904  595161404561245 0    551244 0      C-13-H3C(O)CH3
  635514.8504  0.0056 -4.1009 3  655.9600904  595161404561245 0    551144 0      C-13-H3C(O)CH3
  635514.8504  0.0056 -4.1009 3  655.9600904  595161404561145 0    551244 0      C-13-H3C(O)CH3
  635524.9845  0.0112 -3.7015 3  655.9312904 -595161404561145 1    551244 1      C-13-H3C(O)CH3
  635524.9845  0.0112 -4.3577 3  655.9312904 -595161404561245 1    551144 1      C-13-H3C(O)CH3
  635525.2009  0.0112 -3.7369 3  655.9312904  595161404561145 1    551144 1      C-13-H3C(O)CH3
  635525.2009  0.0112 -4.5478 3  655.9312904  595161404561245 1    551244 1      C-13-H3C(O)CH3
  635526.0227  0.0111 -3.7060 3  655.9308904 -595161404561145 2    551244 2      C-13-H3C(O)CH3
  635526.0227  0.0111 -4.5177 3  655.9308904 -595161404561245 2    551244 2      C-13-H3C(O)CH3
  635526.0227  0.0111 -4.5177 3  655.9308904 -595161404561145 2    551144 2      C-13-H3C(O)CH3
  635526.0227  0.0111 -3.7060 3  655.9308904 -595161404561245 2    551144 2      C-13-H3C(O)CH3
  635536.3426  0.0080 -5.5828 3  655.9019452  595161404561145 4    551144 4      C-13-H3C(O)CH3
  635536.3426  0.0080 -3.9548 3  655.9019452  595161404561145 4    551244 4      C-13-H3C(O)CH3
  635536.3426  0.0080 -3.9548 3  655.9019452  595161404561245 4    551144 4      C-13-H3C(O)CH3
  635536.3426  0.0080 -5.5828 3  655.9019452  595161404561245 4    551244 4      C-13-H3C(O)CH3
  635536.3615  0.0080 -4.4696 3  655.9019452  595161404561245 3    551244 3      C-13-H3C(O)CH3
  635536.3615  0.0080 -4.0987 3  655.9019452  595161404561245 3    551144 3      C-13-H3C(O)CH3
  635536.3615  0.0080 -4.4696 3  655.9019452  595161404561145 3    551144 3      C-13-H3C(O)CH3
  635536.3615  0.0080 -4.0987 3  655.9019452  595161404561145 3    551244 3      C-13-H3C(O)CH3
  635553.0489  0.0102 -5.3868 3  112.8214204  59516140425 521 3    24 322 3      C-13-H3C(O)CH3
  635553.0489  0.0102 -5.8628 3  112.8214204  59516140425 521 3    24 222 3      C-13-H3C(O)CH3
  635553.0489  0.0102 -5.8628 3  112.8214204  59516140425 421 3    24 322 3      C-13-H3C(O)CH3
  635553.0489  0.0102 -5.3868 3  112.8214204  59516140425 421 3    24 222 3      C-13-H3C(O)CH3
  635553.3328  0.0121 -5.2789 3  112.8214204  59516140425 421 4    24 222 4      C-13-H3C(O)CH3
  635553.3328  0.0121 -5.2789 3  112.8214204  59516140425 521 4    24 322 4      C-13-H3C(O)CH3
  635574.9406  0.0186 -5.8431 3  156.5399196  5951614042419 5 3    2316 8 3      C-13-H3C(O)CH3
  635601.4027  0.0195 -4.0324 3  519.7765712  595161404442519 1    432618 1      C-13-H3C(O)CH3
  635642.7821  0.0223 -5.4677 3  180.9682212  5951614042619 8 4    2516 9 4      C-13-H3C(O)CH3
  635667.5266  0.1404 -6.1341 3 1439.6607692  595161404861275 3    861176 3      C-13-H3C(O)CH3
  635667.7884  0.1405 -6.0891 3 1439.6607692  595161404861275 4    861076 4      C-13-H3C(O)CH3
  635667.7884  0.1405 -6.0891 3 1439.6607692  595161404861175 4    861176 4      C-13-H3C(O)CH3
  635690.6827  0.0108 -5.2444 3  156.5434392  5951614042419 6 2    2316 8 2      C-13-H3C(O)CH3
  635749.9492  0.0233 -4.0314 3  519.7927712  595161404442519 0    432618 0      C-13-H3C(O)CH3
  635767.5473  0.1063 -5.6337 3 1020.0359968  595161404604218 2    594316 2      C-13-H3C(O)CH3
  635803.2492  0.1017 -5.9342 3 1020.0789484  595161404604218 4    594316 4      C-13-H3C(O)CH3
  635811.0684  0.1343 -5.7246 3 1388.0242D68  595161404851075 0    85 976 0      C-13-H3C(O)CH3
  635811.0684  0.1343 -5.7246 3 1388.0242D68  595161404851175 0    851076 0      C-13-H3C(O)CH3
  635860.7551  0.1200 -5.6333 3 1019.9843968  595161404604219 0    594316 0      C-13-H3C(O)CH3
  635863.7403  0.1201 -5.6333 3 1019.9843968  595161404604218 0    594317 0      C-13-H3C(O)CH3
  635880.3521  0.0409 -6.2361 3  774.1000872  595161404542826 0    542529 0      C-13-H3C(O)CH3
  635897.0572  0.1208 -5.6332 3 1020.0272968  595161404604218 1    594316 1      C-13-H3C(O)CH3
  635905.2437  0.0861 -6.2900 3 1238.2977A48  595161404655016 0    645113 0      C-13-H3C(O)CH3
  635905.2437  0.0861 -6.2900 3 1238.2977A48  595161404655015 0    645114 0      C-13-H3C(O)CH3
  635915.0479  0.0599 -6.2359 3  774.0978872  595161404542826 2    542529 2      C-13-H3C(O)CH3
  635921.8951  0.0442 -6.2354 3  774.0981872  595161404542826 1    542529 1      C-13-H3C(O)CH3
  635936.0291  0.0408 -6.2360 3  774.1000872  595161404542926 0    542629 0      C-13-H3C(O)CH3
  635953.3275  0.2834 -5.9333 3 1006.6629984  595161404613527 0    603624 0      C-13-H3C(O)CH3
  635971.1440  0.1174 -6.2901 3 1238.2884A48  595161404655016 1    645114 1      C-13-H3C(O)CH3
  635974.5378  0.0590 -6.2358 3  774.0978872  595161404542926 2    542629 2      C-13-H3C(O)CH3
  635981.3079  0.0443 -6.2353 3  774.0981872  595161404542926 1    542629 1      C-13-H3C(O)CH3
  635993.2040  0.1256 -4.8958 3  626.9657388  595161404482919 3    473018 3      C-13-H3C(O)CH3
  635999.9693  0.1474 -5.9578 3 1388.0086D68  595161404851175 2    851076 2      C-13-H3C(O)CH3
  635999.9693  0.1474 -6.0939 3 1388.0086D68  595161404851175 2    85 976 2      C-13-H3C(O)CH3
  635999.9693  0.1474 -6.0939 3 1388.0086D68  595161404851075 2    851076 2      C-13-H3C(O)CH3
  635999.9693  0.1474 -5.9578 3 1388.0086D68  595161404851075 2    85 976 2      C-13-H3C(O)CH3
  636001.0097  0.1454 -5.7696 3 1388.0088D68  595161404851175 1    85 976 1      C-13-H3C(O)CH3
  636001.0097  0.1454 -5.7696 3 1388.0088D68  595161404851075 1    851076 1      C-13-H3C(O)CH3
  636036.6967  0.0946 -5.9343 3 1020.0675484  595161404604219 3    594316 3      C-13-H3C(O)CH3
  636083.6654  0.0039 -6.1527 3  690.7886516  59516140464 262 3    63 361 3      C-13-H3C(O)CH3
  636083.6654  0.0039 -6.1527 3  690.7886516  59516140464 362 3    63 261 3      C-13-H3C(O)CH3
  636083.6685  0.0039 -5.0288 3  690.7886516  59516140464 262 4    63 361 4      C-13-H3C(O)CH3
  636083.6685  0.0039 -3.8866 3  690.7886516  59516140464 362 4    63 361 4      C-13-H3C(O)CH3
  636083.7354  0.0039 -5.0288 3  690.7886516 -59516140464 362 4    63 261 4      C-13-H3C(O)CH3
  636083.7354  0.0039 -3.8586 3  690.7886516 -59516140464 262 3    63 261 3      C-13-H3C(O)CH3
  636083.7354  0.0039 -3.8866 3  690.7886516 -59516140464 262 4    63 261 4      C-13-H3C(O)CH3
  636083.7354  0.0039 -3.8586 3  690.7886516 -59516140464 362 3    63 361 3      C-13-H3C(O)CH3
  636109.4441  0.0063 -3.5604 3  690.7784A32 -59516140464 362 2    63 361 2      C-13-H3C(O)CH3
  636109.4441  0.0062 -3.8188 3  690.7788A32 -59516140464 262 1    63 361 1      C-13-H3C(O)CH3
  636109.4441  0.0063 -5.4902 3  690.7784A32 -59516140464 362 2    63 261 2      C-13-H3C(O)CH3
  636109.4441  0.0062 -3.8188 3  690.7788A32 -59516140464 362 1    63 261 1      C-13-H3C(O)CH3
  636109.4441  0.0062 -3.8975 3  690.7788A32 -59516140464 362 1    63 361 1      C-13-H3C(O)CH3
  636109.4441  0.0063 -5.4902 3  690.7784A32 -59516140464 262 2    63 361 2      C-13-H3C(O)CH3
  636109.4441  0.0063 -3.5604 3  690.7784A32 -59516140464 262 2    63 261 2      C-13-H3C(O)CH3
  636109.4441  0.0062 -3.8975 3  690.7788A32 -59516140464 262 1    63 261 1      C-13-H3C(O)CH3
  636113.0648  0.0995 -5.6336 3 1020.0228968  595161404604219 2    594317 2      C-13-H3C(O)CH3
  636113.1204  0.0122 -5.3403 3  112.7735408  59516140425 521 2    24 222 2      C-13-H3C(O)CH3
  636113.1204  0.0122 -5.3403 3  112.7735408  59516140425 421 2    24 322 2      C-13-H3C(O)CH3
  636113.1204  0.0122 -5.1927 3  112.7735408  59516140425 421 2    24 222 2      C-13-H3C(O)CH3
  636113.1204  0.0122 -5.1927 3  112.7735408  59516140425 521 2    24 322 2      C-13-H3C(O)CH3
  636114.0274  0.1097 -6.2902 3 1238.2857A48  595161404655016 2    645114 2      C-13-H3C(O)CH3
  636117.6430  0.0126 -5.5739 3  112.7740408  59516140425 421 1    24 222 1      C-13-H3C(O)CH3
  636117.6430  0.0126 -6.0012 3  112.7740408  59516140425 521 1    24 322 1      C-13-H3C(O)CH3
  636117.6430  0.0126 -5.0008 3  112.7740408  59516140425 521 1    24 222 1      C-13-H3C(O)CH3
  636117.6430  0.0126 -5.0803 3  112.7740408  59516140425 421 1    24 322 1      C-13-H3C(O)CH3
  636128.3727  0.1187 -6.2901 3 1238.3247A48  595161404655015 1    645113 1      C-13-H3C(O)CH3
  636131.7452  0.1107 -5.6331 3 1020.0159968  595161404604219 1    594317 1      C-13-H3C(O)CH3
  636135.1225  0.0045 -3.9695 3  690.7687A32 -59516140464 262 0    63 261 0      C-13-H3C(O)CH3
  636135.1225  0.0045 -3.7666 3  690.7687A32 -59516140464 362 0    63 261 0      C-13-H3C(O)CH3
  636135.1759  0.0045 -3.9695 3  690.7687A32  59516140464 362 0    63 361 0      C-13-H3C(O)CH3
  636135.1759  0.0045 -3.7666 3  690.7687A32  59516140464 262 0    63 361 0      C-13-H3C(O)CH3
  636148.0530  0.0919 -5.9344 3 1020.0658484  595161404604218 3    594317 3      C-13-H3C(O)CH3
  636155.9421  0.1353 -6.2903 3 1238.3309A48  595161404655015 2    645113 2      C-13-H3C(O)CH3
  636190.0687  0.1238 -6.0481 3 1387.9932684  595161404851075 3    85 976 3      C-13-H3C(O)CH3
  636190.0687  0.1238 -6.2006 3 1387.9932684  595161404851175 3    851076 3      C-13-H3C(O)CH3
  636190.3018  0.1238 -6.0263 3 1387.9932684  595161404851175 4    851076 4      C-13-H3C(O)CH3
  636190.3018  0.1238 -6.0263 3 1387.9932684  595161404851075 4    85 976 4      C-13-H3C(O)CH3
  636202.7650  0.0077 -5.0831 3  177.7470212  5951614042618 8 3    251511 3      C-13-H3C(O)CH3
  636221.7625  0.1119 -4.9072 3  626.9588388  595161404482919 4    473018 4      C-13-H3C(O)CH3
  636259.3968  0.0226 -5.7829 3  168.4333204  5951614042519 7 4    2416 8 4      C-13-H3C(O)CH3
  636271.1422  0.0050 -3.4817 3  327.2157268  5951614043329 5 4    3228 5 4      C-13-H3C(O)CH3
  636305.5940  0.0039 -3.1806 3  327.2748536 -5951614043329 5 2    3228 4 2      C-13-H3C(O)CH3
  636320.7669  0.0041 -3.1805 3  327.2561536 -5951614043329 5 1    3228 5 1      C-13-H3C(O)CH3
  636327.5272  0.1009 -5.6682 3 1336.9477D52  595161404841075 0    84 876 0      C-13-H3C(O)CH3
  636327.5272  0.1009 -5.6682 3 1336.9477D52  59516140484 975 0    84 976 0      C-13-H3C(O)CH3
  636355.8354  0.0039 -3.1805 3  327.3152536 -5951614043329 4 0    3228 5 0      C-13-H3C(O)CH3
  636355.8354  0.0039 -3.1805 3  327.3152536 -5951614043329 5 0    3228 4 0      C-13-H3C(O)CH3
  636383.3514  0.0995 -5.9340 3 1020.0545484  595161404604219 4    594317 4      C-13-H3C(O)CH3
  636435.2974  0.0051 -3.4814 3  327.2139268  5951614043329 5 3    3228 5 3      C-13-H3C(O)CH3
  636469.9517  0.0040 -3.1804 3  327.2729536 -5951614043329 4 2    3228 5 2      C-13-H3C(O)CH3
  636476.7915  0.0151 -5.1306 3  180.9736424  5951614042619 8 1    2516 9 1      C-13-H3C(O)CH3
  636487.5407  0.0050 -3.4813 3  327.2286268  5951614043329 4 3    3228 4 3      C-13-H3C(O)CH3
  636489.9923  0.0150 -3.8303 3  408.8465632  595161404392416 1    382315 1      C-13-H3C(O)CH3
  636503.4602  0.0148 -3.8304 3  408.8656632  595161404392416 0    382315 0      C-13-H3C(O)CH3
  636508.1825  0.1103 -5.7383 3 1336.9252D52  595161404841075 2    84 976 2      C-13-H3C(O)CH3
  636508.1825  0.1103 -5.7383 3 1336.9252D52  59516140484 975 2    84 876 2      C-13-H3C(O)CH3
  636509.6459  0.1123 -5.6674 3 1336.9254D52  595161404841075 1    84 976 1      C-13-H3C(O)CH3
  636509.6459  0.1123 -5.6674 3 1336.9254D52  59516140484 975 1    84 876 1      C-13-H3C(O)CH3
  636531.2855  0.1054 -5.8709 3 1102.5150A00  595161404624518 0    614615 0      C-13-H3C(O)CH3
  636531.3290  0.1054 -5.8709 3 1102.5150A00  595161404624517 0    614616 0      C-13-H3C(O)CH3
  636537.0246  0.0040 -3.1802 3  327.2689536 -5951614043329 4 1    3228 4 1      C-13-H3C(O)CH3
  636569.2033  0.0051 -3.7536 3  562.1685760 -595161404472226 0    462125 0      C-13-H3C(O)CH3
  636569.2033  0.0051 -3.7536 3  562.1685760 -595161404472126 0    462225 0      C-13-H3C(O)CH3
  636583.0291  0.0201 -5.3237 3  180.9672212  5951614042619 8 3    2516 9 3      C-13-H3C(O)CH3
  636603.7863  0.0066 -3.7536 3  562.1498760  595161404472126 1    462225 1      C-13-H3C(O)CH3
  636604.0238  0.0066 -3.7536 3  562.1498760  595161404472226 1    462125 1      C-13-H3C(O)CH3
  636605.2406  0.0057 -5.0672 3  664.3520920 -595161404571147 0    561146 0      C-13-H3C(O)CH3
  636605.2406  0.0057 -3.6543 3  664.3520920 -595161404571147 0    561046 0      C-13-H3C(O)CH3
  636605.2406  0.0057 -5.0672 3  664.3520920 -595161404571047 0    561046 0      C-13-H3C(O)CH3
  636605.2406  0.0057 -3.6543 3  664.3520920 -595161404571047 0    561146 0      C-13-H3C(O)CH3
  636610.9490  0.0117 -3.6399 3  664.3222920  595161404571147 1    561046 1      C-13-H3C(O)CH3
  636610.9490  0.0117 -5.9617 3  664.3222920  595161404571047 1    561046 1      C-13-H3C(O)CH3
  636610.9490  0.0117 -5.9617 3  664.3222920  595161404571147 1    561146 1      C-13-H3C(O)CH3
  636610.9490  0.0117 -3.6399 3  664.3222920  595161404571047 1    561146 1      C-13-H3C(O)CH3
  636611.6160  0.0116 -3.7500 3  664.3218920  595161404571047 2    561146 2      C-13-H3C(O)CH3
  636611.6160  0.0116 -4.2805 3  664.3218920  595161404571147 2    561146 2      C-13-H3C(O)CH3
  636611.6160  0.0116 -3.7500 3  664.3218920  595161404571147 2    561046 2      C-13-H3C(O)CH3
  636611.6160  0.0116 -4.2805 3  664.3218920  595161404571047 2    561046 2      C-13-H3C(O)CH3
  636612.2472  0.0070 -3.7536 3  562.1480760  595161404472126 2    462225 2      C-13-H3C(O)CH3
  636612.4908  0.0070 -3.7536 3  562.1480760  595161404472226 2    462125 2      C-13-H3C(O)CH3
  636613.0954  0.1038 -5.8710 3 1102.5662A00  595161404624517 2    614615 2      C-13-H3C(O)CH3
  636617.2747  0.0077 -3.9846 3  664.2919460 -595161404571147 3    561146 3      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.9379 3  664.2919460 -595161404571147 3    561046 3      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.4748 3  664.2919460 -595161404571147 4    561046 4      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.4748 3  664.2919460 -595161404571047 4    561146 4      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.0881 3  664.2919460 -595161404571147 4    561146 4      C-13-H3C(O)CH3
  636617.2747  0.0077 -3.9846 3  664.2919460 -595161404571047 3    561046 3      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.0881 3  664.2919460 -595161404571047 4    561046 4      C-13-H3C(O)CH3
  636617.2747  0.0077 -4.9379 3  664.2919460 -595161404571047 3    561146 3      C-13-H3C(O)CH3
  636618.7336  0.0085 -4.8354 3  177.7538424  5951614042618 8 1    251511 1      C-13-H3C(O)CH3
  636639.7223  0.0100 -5.1415 3  156.5552392  5951614042419 5 0    2316 8 0      C-13-H3C(O)CH3
  636647.0311  0.0078 -4.0547 3  562.1292380  595161404472126 3    462225 3      C-13-H3C(O)CH3
  636647.0706  0.0078 -4.0547 3  562.1292380  595161404472126 4    462225 4      C-13-H3C(O)CH3
  636647.2951  0.0078 -4.0547 3  562.1292380  595161404472226 3    462125 3      C-13-H3C(O)CH3
  636647.3329  0.0078 -4.0547 3  562.1292380  595161404472226 4    462125 4      C-13-H3C(O)CH3
  636650.9458  0.0056 -3.4811 3  327.2267268  5951614043329 4 4    3228 4 4      C-13-H3C(O)CH3
  636661.3508  0.1210 -4.5969 3  626.9650776  595161404482919 2    473018 2      C-13-H3C(O)CH3
  636676.4393  0.0116 -4.9627 3  112.7263408  59516140425 421 0    24 322 0      C-13-H3C(O)CH3
  636676.4393  0.0116 -4.9627 3  112.7263408  59516140425 521 0    24 222 0      C-13-H3C(O)CH3
  636690.4212  0.1099 -6.1659 3 1336.9028676  59516140484 975 3    84 976 3      C-13-H3C(O)CH3
  636690.4212  0.1099 -6.1659 3 1336.9028676  595161404841075 3    84 876 3      C-13-H3C(O)CH3
  636690.5825  0.1099 -6.0106 3 1336.9028676  59516140484 975 4    84 876 4      C-13-H3C(O)CH3
  636690.5825  0.1099 -6.0106 3 1336.9028676  595161404841075 4    84 976 4      C-13-H3C(O)CH3
  636698.6219  0.0049 -3.7791 3  547.3710744  595161404462224 0    452323 0      C-13-H3C(O)CH3
  636707.8156  0.1077 -5.8708 3 1102.5573A00  595161404624517 1    614615 1      C-13-H3C(O)CH3
  636709.4352  0.0049 -3.7791 3  547.3707744 -595161404462324 0    452223 0      C-13-H3C(O)CH3
  636715.2924  0.0080 -4.8041 3  177.7494424  5951614042618 8 2    251511 2      C-13-H3C(O)CH3
  636721.5608  0.0117 -5.1898 3  177.7467212  5951614042618 8 4    251511 4      C-13-H3C(O)CH3
  636727.7314  0.3873 -5.9264 3 1006.6468984  595161404613527 2    603624 2      C-13-H3C(O)CH3
  636732.6287  0.0061 -3.7791 3  547.3524744  595161404462224 1    452323 1      C-13-H3C(O)CH3
  636744.0145  0.0061 -3.7791 3  547.3521744  595161404462324 1    452223 1      C-13-H3C(O)CH3
  636745.0739  0.0067 -3.7791 3  547.3498744  595161404462224 2    452323 2      C-13-H3C(O)CH3
  636756.7501  0.0066 -3.7791 3  547.3495744  595161404462324 2    452223 2      C-13-H3C(O)CH3
  636758.9027  0.2626 -5.9259 3 1006.6441984  595161404613527 1    603624 1      C-13-H3C(O)CH3
  636779.0898  0.0074 -4.0802 3  547.3311372  595161404462224 3    452323 3      C-13-H3C(O)CH3
  636779.1368  0.0074 -4.0802 3  547.3311372  595161404462224 4    452323 4      C-13-H3C(O)CH3
  636788.1898  0.0972 -5.8708 3 1102.5308A00  595161404624518 1    614616 1      C-13-H3C(O)CH3
  636790.1262  0.1150 -6.1719 3 1102.6086500  595161404624517 4    614615 4      C-13-H3C(O)CH3
  636791.3492  0.0074 -4.0802 3  547.3308372  595161404462324 3    452223 3      C-13-H3C(O)CH3
  636791.3512  0.0074 -4.0802 3  547.3308372  595161404462324 4    452223 4      C-13-H3C(O)CH3
  636802.6973  0.0130 -4.1952 3  515.4660356  595161404442420 3    432519 3      C-13-H3C(O)CH3
  636807.8233  0.0134 -4.1952 3  515.4658356  595161404442420 4    432519 4      C-13-H3C(O)CH3
  636810.0180  0.0072 -4.7710 3  177.7563424  5951614042618 8 0    251511 0      C-13-H3C(O)CH3
  636830.5828  0.0140 -3.8938 3  515.4842712  595161404442420 2    432519 2      C-13-H3C(O)CH3
  636833.9863  0.0954 -5.8710 3 1102.5348A00  595161404624518 2    614616 2      C-13-H3C(O)CH3
  636853.7844  0.0203 -4.1303 3  408.8108316  595161404392416 4    382315 4      C-13-H3C(O)CH3
  636856.3125  0.0086 -3.8934 3  515.4890712  595161404442420 1    432519 1      C-13-H3C(O)CH3
  636857.4156  0.0830 -5.6346 3 1286.4475D36  59516140483 875 0    83 876 0      C-13-H3C(O)CH3
  636857.4156  0.0830 -5.6346 3 1286.4475D36  59516140483 975 0    83 776 0      C-13-H3C(O)CH3
  636863.4003  0.0213 -4.1301 3  408.8109316  595161404392416 3    382315 3      C-13-H3C(O)CH3
  636869.9537  0.1118 -6.1719 3 1102.5821500  595161404624517 3    614615 3      C-13-H3C(O)CH3
  636876.9929  0.0195 -3.8292 3  408.8299632  595161404392416 2    382315 2      C-13-H3C(O)CH3
  636877.4689  0.0053 -3.7353 3  576.3011776  595161404482028 0    472127 0      C-13-H3C(O)CH3
  636877.4721  0.0053 -3.7353 3  576.3011776  595161404482128 0    472027 0      C-13-H3C(O)CH3
  636881.2311  0.0096 -3.8930 3  515.5073712  595161404442420 0    432519 0      C-13-H3C(O)CH3
  636912.0178  0.0070 -3.7352 3  576.2821776  595161404482028 1    472127 1      C-13-H3C(O)CH3
  636912.0215  0.0070 -3.7352 3  576.2821776  595161404482128 1    472027 1      C-13-H3C(O)CH3
  636918.0604  0.0074 -3.7352 3  576.2807776  595161404482028 2    472127 2      C-13-H3C(O)CH3
  636918.0642  0.0074 -3.7352 3  576.2807776  595161404482128 2    472027 2      C-13-H3C(O)CH3
  636952.6590  0.0083 -4.0363 3  576.2617388  595161404482028 3    472127 3      C-13-H3C(O)CH3
  636952.6633  0.0083 -4.0363 3  576.2617388  595161404482128 3    472027 3      C-13-H3C(O)CH3
  636952.7011  0.0083 -4.0363 3  576.2617388  595161404482028 4    472127 4      C-13-H3C(O)CH3
  636952.7053  0.0083 -4.0363 3  576.2617388  595161404482128 4    472027 4      C-13-H3C(O)CH3
  636982.1872  0.0187 -5.6249 3  180.9672212  5951614042619 7 3    2516 9 3      C-13-H3C(O)CH3
  636996.0519  0.0173 -5.9336 3  156.5361392  5951614042419 5 1    2316 8 1      C-13-H3C(O)CH3
  637010.9253  0.1136 -5.6123 3 1286.4191D36  59516140483 875 2    83 776 2      C-13-H3C(O)CH3
  637010.9253  0.1136 -5.6123 3 1286.4191D36  59516140483 975 2    83 876 2      C-13-H3C(O)CH3
  637010.9354  0.1113 -6.1719 3 1102.5771500  595161404624518 3    614616 3      C-13-H3C(O)CH3
  637012.0695  0.1186 -5.8637 3 1286.4192D36  59516140483 875 1    83 876 1      C-13-H3C(O)CH3
  637012.0695  0.1186 -5.9416 3 1286.4192D36  59516140483 875 1    83 776 1      C-13-H3C(O)CH3
  637012.0695  0.1186 -5.9416 3 1286.4192D36  59516140483 975 1    83 876 1      C-13-H3C(O)CH3
  637012.0695  0.1186 -5.8637 3 1286.4192D36  59516140483 975 1    83 776 1      C-13-H3C(O)CH3
  637030.0420  0.0172 -5.8078 3  156.5434392  5951614042419 5 2    2316 8 2      C-13-H3C(O)CH3
  637033.6281  0.0643 -4.5937 3  626.9638776  595161404482919 1    473018 1      C-13-H3C(O)CH3
  637092.1061  0.1117 -6.1719 3 1102.5507500  595161404624518 4    614616 4      C-13-H3C(O)CH3
  637165.6527  0.0995 -6.0170 3 1286.3908668  59516140483 875 3    83 876 3      C-13-H3C(O)CH3
  637165.6527  0.0995 -6.0170 3 1286.3908668  59516140483 975 3    83 776 3      C-13-H3C(O)CH3
  637165.6859  0.0996 -6.1576 3 1286.3908668  59516140483 875 4    83 776 4      C-13-H3C(O)CH3
  637165.6859  0.0996 -6.2506 3 1286.3908668  59516140483 975 4    83 776 4      C-13-H3C(O)CH3
  637165.6859  0.0996 -6.1576 3 1286.3908668  59516140483 975 4    83 876 4      C-13-H3C(O)CH3
  637165.6859  0.0996 -6.2506 3 1286.3908668  59516140483 875 4    83 876 4      C-13-H3C(O)CH3
  637167.1999  0.0151 -5.1046 3  180.9652424  5951614042619 8 2    2516 9 2      C-13-H3C(O)CH3
  637257.0396  0.0048 -4.3863 3  694.3127524  59516140465 264 3    64 163 3      C-13-H3C(O)CH3
  637257.0396  0.0048 -3.9945 3  694.3127524  59516140465 164 3    64 163 3      C-13-H3C(O)CH3
  637257.0555  0.0048 -5.2700 3  694.3128524  59516140465 264 4    64 163 4      C-13-H3C(O)CH3
  637257.0555  0.0048 -3.8633 3  694.3128524  59516140465 164 4    64 163 4      C-13-H3C(O)CH3
  637257.0691  0.0048 -5.2700 3  694.3128524 -59516140465 164 4    64 263 4      C-13-H3C(O)CH3
  637257.0691  0.0048 -3.9945 3  694.3127524 -59516140465 264 3    64 263 3      C-13-H3C(O)CH3
  637257.0691  0.0048 -3.8633 3  694.3128524 -59516140465 264 4    64 263 4      C-13-H3C(O)CH3
  637257.0691  0.0048 -4.3863 3  694.3127524 -59516140465 164 3    64 263 3      C-13-H3C(O)CH3
  637275.6783  0.0067 -3.9084 3  694.2802A48 -59516140465 164 2    64 163 2      C-13-H3C(O)CH3
  637275.6783  0.0068 -4.3366 3  694.2806A48 -59516140465 164 1    64 263 1      C-13-H3C(O)CH3
  637275.6783  0.0068 -4.3366 3  694.2806A48 -59516140465 264 1    64 163 1      C-13-H3C(O)CH3
  637275.6783  0.0067 -3.7924 3  694.2802A48 -59516140465 264 2    64 163 2      C-13-H3C(O)CH3
  637275.6900  0.0067 -3.9084 3  694.2802A48  59516140465 264 2    64 263 2      C-13-H3C(O)CH3
  637275.6900  0.0067 -3.7924 3  694.2802A48  59516140465 164 2    64 263 2      C-13-H3C(O)CH3
  637275.7336  0.0068 -3.6221 3  694.2806A48  59516140465 164 1    64 163 1      C-13-H3C(O)CH3
  637275.7336  0.0068 -3.6221 3  694.2806A48  59516140465 264 1    64 263 1      C-13-H3C(O)CH3
  637294.2698  0.0049 -5.0474 3  694.2481A48 -59516140465 164 0    64 163 0      C-13-H3C(O)CH3
  637294.2698  0.0049 -5.0474 3  694.2481A48 -59516140465 264 0    64 263 0      C-13-H3C(O)CH3
  637294.2698  0.0049 -3.5593 3  694.2481A48 -59516140465 264 0    64 163 0      C-13-H3C(O)CH3
  637294.2698  0.0049 -3.5593 3  694.2481A48 -59516140465 164 0    64 263 0      C-13-H3C(O)CH3
  637384.4752  0.0146 -5.3940 3  168.4340408  5951614042519 7 1    2416 8 1      C-13-H3C(O)CH3
  637408.3542  0.0839 -6.0147 3 1236.5230D20  59516140482 775 0    82 676 0      C-13-H3C(O)CH3
  637408.3542  0.0839 -5.7348 3 1236.5230D20  59516140482 875 0    82 676 0      C-13-H3C(O)CH3
  637408.3542  0.0839 -6.0147 3 1236.5230D20  59516140482 875 0    82 776 0      C-13-H3C(O)CH3
  637408.3542  0.0839 -5.7348 3 1236.5230D20  59516140482 775 0    82 776 0      C-13-H3C(O)CH3
  637443.7885  0.0055 -3.7213 3  589.8081792  595161404491930 0    482029 0      C-13-H3C(O)CH3
  637443.7886  0.0055 -3.7213 3  589.8081792  595161404492030 0    481929 0      C-13-H3C(O)CH3
  637477.5675  0.0075 -3.7213 3  589.7887792  595161404491930 1    482029 1      C-13-H3C(O)CH3
  637477.5675  0.0075 -3.7213 3  589.7887792  595161404492030 1    481929 1      C-13-H3C(O)CH3
  637482.0492  0.0078 -3.7213 3  589.7877792  595161404491930 2    482029 2      C-13-H3C(O)CH3
  637482.0493  0.0078 -3.7213 3  589.7877792  595161404492030 2    481929 2      C-13-H3C(O)CH3
  637510.2422  0.1440 -5.7272 3 1236.4908D20  59516140482 775 2    82 776 2      C-13-H3C(O)CH3
  637510.2422  0.1440 -5.7272 3 1236.4908D20  59516140482 875 2    82 676 2      C-13-H3C(O)CH3
  637510.2422  0.1440 -6.0289 3 1236.4908D20  59516140482 875 2    82 776 2      C-13-H3C(O)CH3
  637510.2422  0.1440 -6.0289 3 1236.4908D20  59516140482 775 2    82 676 2      C-13-H3C(O)CH3
  637510.4212  0.1483 -5.6457 3 1236.4909D20  59516140482 875 1    82 676 1      C-13-H3C(O)CH3
  637510.4212  0.1483 -6.2604 3 1236.4909D20  59516140482 875 1    82 776 1      C-13-H3C(O)CH3
  637510.4212  0.1483 -5.6457 3 1236.4909D20  59516140482 775 1    82 776 1      C-13-H3C(O)CH3
  637510.4212  0.1483 -6.2604 3 1236.4909D20  59516140482 775 1    82 676 1      C-13-H3C(O)CH3
  637515.8789  0.0086 -4.0223 3  589.7682396  595161404491930 3    482029 3      C-13-H3C(O)CH3
  637515.8790  0.0086 -4.0223 3  589.7682396  595161404492030 3    481929 3      C-13-H3C(O)CH3
  637515.9201  0.0086 -4.0223 3  589.7682396  595161404491930 4    482029 4      C-13-H3C(O)CH3
  637515.9202  0.0086 -4.0223 3  589.7682396  595161404492030 4    481929 4      C-13-H3C(O)CH3
  637516.8581  0.0049 -3.8175 3  531.8421728  595161404452322 0    442421 0      C-13-H3C(O)CH3
  637520.0661  0.3599 -6.2201 3 1006.6285492  595161404613527 4    603624 4      C-13-H3C(O)CH3
  637536.9223  0.3668 -6.2199 3 1006.6280492  595161404613527 3    603624 3      C-13-H3C(O)CH3
  637544.8416  0.0059 -3.8176 3  531.8233728  595161404452322 1    442421 1      C-13-H3C(O)CH3
  637561.4777  0.0068 -3.8177 3  531.8197728  595161404452322 2    442421 2      C-13-H3C(O)CH3
  637589.1366  0.0073 -4.1188 3  531.8009364  595161404452322 3    442421 3      C-13-H3C(O)CH3
  637589.5412  0.0073 -4.1188 3  531.8008364  595161404452322 4    442421 4      C-13-H3C(O)CH3
  637592.4711  0.0725 -4.5899 3  626.9666776  595161404482919 0    473018 0      C-13-H3C(O)CH3
  637597.6304  0.0189 -5.5826 3  168.4265204  5951614042519 7 3    2416 8 3      C-13-H3C(O)CH3
  637610.3811  0.0058 -4.4251 3  187.2108228  595161404281216 4    271117 4      C-13-H3C(O)CH3
  637610.5378  0.0046 -4.4251 3  187.2107228  595161404281216 3    271117 3      C-13-H3C(O)CH3
  637612.1747  0.0926 -5.8775 3 1236.4586660  59516140482 875 4    82 776 4      C-13-H3C(O)CH3
  637612.1747  0.0926 -5.8775 3 1236.4586660  59516140482 775 4    82 676 4      C-13-H3C(O)CH3
  637612.3326  0.0925 -5.9722 3 1236.4586660  59516140482 875 3    82 776 3      C-13-H3C(O)CH3
  637612.3326  0.0925 -5.9722 3 1236.4586660  59516140482 775 3    82 676 3      C-13-H3C(O)CH3
  637613.8281  0.0058 -4.4251 3  187.2108228  595161404281316 4    271017 4      C-13-H3C(O)CH3
  637614.0022  0.0046 -4.4251 3  187.2107228  595161404281316 3    271017 3      C-13-H3C(O)CH3
  637664.5002  0.0048 -3.5732 3  332.3221276  5951614043427 8 4    3326 7 4      C-13-H3C(O)CH3
  637690.2933  0.0041 -3.2721 3  332.3475552 -5951614043427 8 1    3326 7 1      C-13-H3C(O)CH3
  637709.8788  0.0058 -3.7221 3  672.2003936  595161404581049 0    57 948 0      C-13-H3C(O)CH3
  637709.8788  0.0058 -3.7221 3  672.2003936  59516140458 949 0    571048 0      C-13-H3C(O)CH3
  637709.8788  0.0058 -4.3585 3  672.2003936  595161404581049 0    571048 0      C-13-H3C(O)CH3
  637709.8788  0.0058 -4.3585 3  672.2003936  59516140458 949 0    57 948 0      C-13-H3C(O)CH3
  637710.3995  0.0119 -4.4213 3  672.1698936  59516140458 949 1    57 948 1      C-13-H3C(O)CH3
  637710.3995  0.0119 -4.4213 3  672.1698936  595161404581049 1    571048 1      C-13-H3C(O)CH3
  637710.3995  0.0119 -3.7087 3  672.1698936  59516140458 949 1    571048 1      C-13-H3C(O)CH3
  637710.3995  0.0119 -3.7087 3  672.1698936  595161404581049 1    57 948 1      C-13-H3C(O)CH3
  637710.9757  0.0118 -3.9735 3  672.1694936  595161404581049 2    571048 2      C-13-H3C(O)CH3
  637710.9757  0.0118 -3.9735 3  672.1694936  59516140458 949 2    57 948 2      C-13-H3C(O)CH3
  637710.9757  0.0118 -3.8956 3  672.1694936  59516140458 949 2    571048 2      C-13-H3C(O)CH3
  637710.9757  0.0118 -3.8956 3  672.1694936  595161404581049 2    57 948 2      C-13-H3C(O)CH3
  637711.4708  0.0073 -5.4394 3  672.1388468  59516140458 949 4    57 948 4      C-13-H3C(O)CH3
  637711.4708  0.0073 -5.4394 3  672.1388468  595161404581049 4    571048 4      C-13-H3C(O)CH3
  637711.4708  0.0073 -3.9465 3  672.1388468  595161404581049 4    57 948 4      C-13-H3C(O)CH3
  637711.4708  0.0073 -3.9465 3  672.1388468  59516140458 949 4    571048 4      C-13-H3C(O)CH3
  637711.5083  0.0073 -4.4574 3  672.1388468  595161404581049 3    57 948 3      C-13-H3C(O)CH3
  637711.5083  0.0073 -4.0869 3  672.1388468  59516140458 949 3    57 948 3      C-13-H3C(O)CH3
  637711.5083  0.0073 -4.0869 3  672.1388468  595161404581049 3    571048 3      C-13-H3C(O)CH3
  637711.5083  0.0073 -4.4574 3  672.1388468  59516140458 949 3    571048 3      C-13-H3C(O)CH3
  637725.7553  0.0040 -3.2720 3  332.3631552  5951614043427 8 2    3326 7 2      C-13-H3C(O)CH3
  637751.6516  0.0035 -3.2718 3  332.3883552 -5951614043427 8 0    3326 7 0      C-13-H3C(O)CH3
  637751.6516  0.0035 -3.2718 3  332.3883552 -5951614043427 7 0    3326 8 0      C-13-H3C(O)CH3
  637773.0215  0.0143 -5.1670 3  180.9736424  5951614042619 7 1    2516 9 1      C-13-H3C(O)CH3
  637784.2371  0.0366 -4.8430 3  339.4273284  595161404352511 3    342410 3      C-13-H3C(O)CH3
  637786.0945  0.0046 -3.5744 3  332.3220276  5951614043427 8 3    3326 7 3      C-13-H3C(O)CH3
  637787.7509  0.0454 -6.1186 3  332.3220276  5951614043427 8 3    3326 8 3      C-13-H3C(O)CH3
  637790.3919  0.0044 -4.1238 3  187.2143456  595161404281216 2    271117 2      C-13-H3C(O)CH3
  637793.9342  0.0044 -4.1238 3  187.2143456  595161404281316 2    271017 2      C-13-H3C(O)CH3
  637810.3143  0.0306 -4.4206 3  339.4542568  595161404352511 2    342410 2      C-13-H3C(O)CH3
  637817.1867  0.0044 -4.1238 3  187.2163456  595161404281216 1    271117 1      C-13-H3C(O)CH3
  637820.5768  0.0044 -4.1238 3  187.2163456  595161404281316 1    271017 1      C-13-H3C(O)CH3
  637841.9948  0.0343 -4.4956 3  339.4239284  595161404352511 4    342410 4      C-13-H3C(O)CH3
  637846.5267  0.0037 -3.2720 3  332.3630552  5951614043427 7 2    3326 8 2      C-13-H3C(O)CH3
  637850.9782  0.0451 -6.1183 3  332.3220276  5951614043427 7 3    3326 7 3      C-13-H3C(O)CH3
  637852.6346  0.0044 -3.5741 3  332.3220276  5951614043427 7 3    3326 8 3      C-13-H3C(O)CH3
  637861.5460  0.0191 -5.4306 3  180.9682212  5951614042619 7 4    2516 9 4      C-13-H3C(O)CH3
  637877.6100  0.0036 -3.2718 3  332.3473552 -5951614043427 7 1    3326 8 1      C-13-H3C(O)CH3
  637887.2133  0.0168 -5.5999 3  168.4265204  5951614042519 6 3    2416 8 3      C-13-H3C(O)CH3
  637890.9513  0.0048 -3.8169 3  531.8324728 -595161404452422 0    442321 0      C-13-H3C(O)CH3
  637910.6718  0.1245 -5.7048 3  941.4069468  595161404583920 4    574018 4      C-13-H3C(O)CH3
  637910.9885  0.0110 -4.8502 3  180.9711424  5951614042619 8 0    2516 9 0      C-13-H3C(O)CH3
  637929.2989  0.0058 -3.8170 3  531.8134728  595161404452422 1    442321 1      C-13-H3C(O)CH3
  637945.1525  0.0084 -6.1610 3  118.8788180  5951614042214 9 4    21 912 4      C-13-H3C(O)CH3
  637952.4329  0.0146 -5.3554 3  168.4302408  5951614042519 7 2    2416 8 2      C-13-H3C(O)CH3
  637954.4705  0.0059 -3.8170 3  531.8095728  595161404452422 2    442321 2      C-13-H3C(O)CH3
  637966.8613  0.2357 -5.7970 3  833.8813444  595161404553521 4    543618 4      C-13-H3C(O)CH3
  637973.3860  0.0046 -3.5729 3  332.3219276  5951614043427 7 4    3326 8 4      C-13-H3C(O)CH3
  637988.9938  0.0926 -5.5738 3 1187.1737D04  59516140481 675 0    81 576 0      C-13-H3C(O)CH3
  637988.9938  0.0926 -5.5738 3 1187.1737D04  59516140481 775 0    81 676 0      C-13-H3C(O)CH3
  637992.8752  0.0066 -4.1181 3  531.7904364  595161404452422 4    442321 4      C-13-H3C(O)CH3
  637993.3410  0.0067 -4.1181 3  531.7905364  595161404452422 3    442321 3      C-13-H3C(O)CH3
  637996.6926  0.0045 -4.1234 3  187.2199456  595161404281216 0    271117 0      C-13-H3C(O)CH3
  638000.1632  0.0045 -4.1234 3  187.2199456  595161404281316 0    271017 0      C-13-H3C(O)CH3
  638007.1680  0.1749 -6.0157 3 1187.1408D04  59516140481 675 1    81 576 1      C-13-H3C(O)CH3
  638007.1680  0.1749 -6.0157 3 1187.1408D04  59516140481 775 1    81 676 1      C-13-H3C(O)CH3
  638007.1680  0.1749 -5.6767 3 1187.1408D04  59516140481 775 1    81 576 1      C-13-H3C(O)CH3
  638007.1680  0.1749 -5.6767 3 1187.1408D04  59516140481 675 1    81 676 1      C-13-H3C(O)CH3
  638008.3656  0.1723 -5.5130 3 1187.1407D04  59516140481 675 2    81 676 2      C-13-H3C(O)CH3
  638008.3656  0.1723 -5.5130 3 1187.1407D04  59516140481 775 2    81 576 2      C-13-H3C(O)CH3
  638015.2644  0.0039 -3.4036 3  339.4411568  595161404352511 1    342410 1      C-13-H3C(O)CH3
  638016.8403  0.0068 -6.1603 3  118.8788180  5951614042214 9 3    21 912 3      C-13-H3C(O)CH3
  638026.1061  0.0874 -6.1961 3 1187.1078652  59516140481 775 4    81 576 4      C-13-H3C(O)CH3
  638026.1061  0.0874 -6.0463 3 1187.1078652  59516140481 675 4    81 576 4      C-13-H3C(O)CH3
  638026.1061  0.0874 -6.1961 3 1187.1078652  59516140481 675 4    81 676 4      C-13-H3C(O)CH3
  638026.1061  0.0874 -6.0463 3 1187.1078652  59516140481 775 4    81 676 4      C-13-H3C(O)CH3
  638026.5093  0.0873 -5.9311 3 1187.1078652  59516140481 775 3    81 676 3      C-13-H3C(O)CH3
  638026.5093  0.0873 -5.9311 3 1187.1078652  59516140481 675 3    81 576 3      C-13-H3C(O)CH3
  638036.6878  0.0037 -3.4031 3  339.4689568 -595161404352511 0    342410 0      C-13-H3C(O)CH3
  638080.8132  0.1220 -5.4069 3  941.3718936  595161404583920 2    574018 2      C-13-H3C(O)CH3
  638094.5834  0.0151 -5.2020 3  180.9652424  5951614042619 7 2    2516 9 2      C-13-H3C(O)CH3
  638103.8367  0.0066 -3.7808 3  339.4152284  595161404352511 4    342411 4      C-13-H3C(O)CH3
  638169.2230  0.0048 -3.4467 3  339.4422568 -595161404352511 2    342411 2      C-13-H3C(O)CH3
  638170.5657  0.0052 -3.7373 3  339.4273284  595161404352510 3    342410 3      C-13-H3C(O)CH3
  638172.3135  0.0057 -3.7109 3  602.7143808  595161404501832 0    491931 0      C-13-H3C(O)CH3
  638172.3497  0.0057 -3.7103 3  602.7143808 -595161404501932 0    491831 0      C-13-H3C(O)CH3
  638204.8408  0.0080 -3.7105 3  602.6943808  595161404501932 1    491831 1      C-13-H3C(O)CH3
  638204.8408  0.0080 -3.7105 3  602.6943808  595161404501832 1    491931 1      C-13-H3C(O)CH3
  638208.2515  0.0082 -3.7103 3  602.6934808  595161404501932 2    491831 2      C-13-H3C(O)CH3
  638208.2515  0.0082 -3.7104 3  602.6934808  595161404501832 2    491931 2      C-13-H3C(O)CH3
  638218.9054  0.1214 -5.4091 3  941.3649936  595161404583920 1    574018 1      C-13-H3C(O)CH3
  638228.5025  0.1085 -5.7865 3  941.4148468  595161404583920 3    574018 3      C-13-H3C(O)CH3
  638240.3358  0.0049 -3.4470 3  339.4542568  595161404352510 2    342410 2      C-13-H3C(O)CH3
  638240.8286  0.0089 -4.0113 3  602.6733404  595161404501932 3    491831 3      C-13-H3C(O)CH3
  638240.8286  0.0089 -4.0115 3  602.6733404  595161404501832 3    491931 3      C-13-H3C(O)CH3
  638240.8666  0.0089 -4.0112 3  602.6733404  595161404501832 4    491931 4      C-13-H3C(O)CH3
  638240.8666  0.0089 -4.0112 3  602.6733404  595161404501932 4    491831 4      C-13-H3C(O)CH3
  638245.9819  0.0049 -3.7368 3  339.4119284  595161404352511 3    342411 3      C-13-H3C(O)CH3
  638268.6264  0.0037 -3.4029 3  339.4635568  595161404352510 0    342411 0      C-13-H3C(O)CH3
  638296.9849  0.0035 -3.4033 3  339.4345568  595161404352510 1    342411 1      C-13-H3C(O)CH3
  638309.1324  0.0154 -6.1854 3  568.8598760  595161404472225 0    471928 0      C-13-H3C(O)CH3
  638309.5902  0.0068 -5.8580 3  118.8656360  5951614042214 9 1    21 912 1      C-13-H3C(O)CH3
  638309.6709  0.0154 -6.1854 3  568.8598760  595161404472325 0    472028 0      C-13-H3C(O)CH3
  638313.2611  0.0073 -3.7810 3  339.4239284  595161404352510 4    342410 4      C-13-H3C(O)CH3
  638327.7914  0.0068 -5.8579 3  118.8632360  5951614042214 9 2    21 912 2      C-13-H3C(O)CH3
  638330.5531  0.1225 -5.4025 3  941.3298936  595161404583920 0    574017 0      C-13-H3C(O)CH3
  638348.4204  0.0931 -5.7865 3  941.4171468  595161404583919 3    574017 3      C-13-H3C(O)CH3
  638403.0346  0.0820 -5.9066 3 1138.3400644  59516140480 575 4    80 476 4      C-13-H3C(O)CH3
  638403.0346  0.0820 -5.9066 3 1138.3400644  59516140480 675 4    80 576 4      C-13-H3C(O)CH3
  638403.6961  0.0819 -6.1003 3 1138.3400644  59516140480 675 3    80 476 3      C-13-H3C(O)CH3
  638403.6961  0.0819 -6.0799 3 1138.3400644  59516140480 575 3    80 476 3      C-13-H3C(O)CH3
  638403.6961  0.0819 -6.1003 3 1138.3400644  59516140480 575 3    80 576 3      C-13-H3C(O)CH3
  638403.6961  0.0819 -6.0799 3 1138.3400644  59516140480 675 3    80 576 3      C-13-H3C(O)CH3
  638418.4820  0.0210 -6.1854 3  568.8381760  595161404472225 2    471928 2      C-13-H3C(O)CH3
  638419.0743  0.0210 -6.1854 3  568.8381760  595161404472325 2    472028 2      C-13-H3C(O)CH3
  638433.8102  0.0167 -6.1840 3  568.8393760  595161404472225 1    471928 1      C-13-H3C(O)CH3
  638434.3897  0.0167 -6.1840 3  568.8393760  595161404472325 1    472028 1      C-13-H3C(O)CH3
  638443.8913  0.0077 -4.0439 3  697.3094532 -59516140466 066 4    65 065 4      C-13-H3C(O)CH3
  638443.8913  0.0077 -4.2563 3  697.3094532 -59516140466 166 4    65 065 4      C-13-H3C(O)CH3
  638443.8913  0.0077 -3.8947 3  697.3094532 -59516140466 066 3    65 065 3      C-13-H3C(O)CH3
  638443.8913  0.0077 -4.7356 3  697.3094532 -59516140466 166 3    65 065 3      C-13-H3C(O)CH3
  638443.9607  0.0077 -4.0439 3  697.3094532  59516140466 166 4    65 165 4      C-13-H3C(O)CH3
  638443.9607  0.0077 -4.2563 3  697.3094532  59516140466 066 4    65 165 4      C-13-H3C(O)CH3
  638443.9765  0.0077 -3.8947 3  697.3094532  59516140466 166 3    65 165 3      C-13-H3C(O)CH3
  638443.9765  0.0077 -4.7356 3  697.3094532  59516140466 066 3    65 165 3      C-13-H3C(O)CH3
  638447.3679  0.0128 -5.0041 3  697.2452A64 -59516140466 066 2    65 165 2      C-13-H3C(O)CH3
  638447.3679  0.0128 -3.5756 3  697.2455A64 -59516140466 166 1    65 165 1      C-13-H3C(O)CH3
  638447.3679  0.0128 -3.5500 3  697.2452A64 -59516140466 166 2    65 165 2      C-13-H3C(O)CH3
  638447.3679  0.0128 -5.0041 3  697.2452A64 -59516140466 166 2    65 065 2      C-13-H3C(O)CH3
  638447.3679  0.0128 -4.5851 3  697.2455A64 -59516140466 166 1    65 065 1      C-13-H3C(O)CH3
  638447.3679  0.0128 -3.5756 3  697.2455A64 -59516140466 066 1    65 065 1      C-13-H3C(O)CH3
  638447.3679  0.0128 -4.5851 3  697.2455A64 -59516140466 066 1    65 165 1      C-13-H3C(O)CH3
  638447.3679  0.0128 -3.5500 3  697.2452A64 -59516140466 066 2    65 065 2      C-13-H3C(O)CH3
  638450.7937  0.0091 -3.5350 3  697.1814A64 -59516140466 166 0    65 165 0      C-13-H3C(O)CH3
  638450.7937  0.0091 -3.5350 3  697.1814A64 -59516140466 066 0    65 065 0      C-13-H3C(O)CH3
  638474.0933  0.1231 -5.4023 3  941.3297936  595161404583919 0    574018 0      C-13-H3C(O)CH3
  638501.0343  0.1033 -5.4067 3  941.3819936  595161404583919 2    574017 2      C-13-H3C(O)CH3
  638505.1274  0.1826 -5.4879 3 1138.3694C88  59516140480 675 1    80 476 1      C-13-H3C(O)CH3
  638505.1274  0.1826 -5.4879 3 1138.3694C88  59516140480 575 1    80 576 1      C-13-H3C(O)CH3
  638507.7126  0.1816 -5.6212 3 1138.3692C88  59516140480 575 2    80 576 2      C-13-H3C(O)CH3
  638507.7126  0.1816 -6.0418 3 1138.3692C88  59516140480 575 2    80 476 2      C-13-H3C(O)CH3
  638507.7126  0.1816 -6.0653 3 1138.3692C88  59516140480 675 2    80 576 2      C-13-H3C(O)CH3
  638507.7126  0.1816 -5.6300 3 1138.3692C88  59516140480 675 2    80 476 2      C-13-H3C(O)CH3
  638575.1030  0.0359 -4.4950 3  339.4152284  595161404352510 4    342411 4      C-13-H3C(O)CH3
  638579.7536  0.1262 -5.4088 3  941.3728936  595161404583919 1    574017 1      C-13-H3C(O)CH3
  638599.3761  0.0317 -4.4199 3  339.4422568  595161404352510 2    342411 2      C-13-H3C(O)CH3
  638609.0405  0.0964 -5.4928 3 1138.3986C88  59516140480 675 0    80 476 0      C-13-H3C(O)CH3
  638609.0405  0.0964 -5.4928 3 1138.3986C88  59516140480 575 0    80 576 0      C-13-H3C(O)CH3
  638632.3105  0.0370 -4.8422 3  339.4119284  595161404352510 3    342411 3      C-13-H3C(O)CH3
  638654.7281  0.0071 -5.8561 3  118.8501360  5951614042214 9 0    21 912 0      C-13-H3C(O)CH3
  638667.9684  0.0976 -5.7043 3  941.4250468  595161404583919 4    574017 4      C-13-H3C(O)CH3
  638738.0341  0.0763 -6.0122 3 1090.1570636  59516140479 575 4    79 376 4      C-13-H3C(O)CH3
  638738.0341  0.0763 -6.1702 3 1090.1570636  59516140479 575 4    79 476 4      C-13-H3C(O)CH3
  638738.0341  0.0763 -6.0122 3 1090.1570636  59516140479 475 4    79 476 4      C-13-H3C(O)CH3
  638738.0341  0.0763 -6.1702 3 1090.1570636  59516140479 475 4    79 376 4      C-13-H3C(O)CH3
  638738.8684  0.0762 -5.9715 3 1090.1569636  59516140479 475 3    79 476 3      C-13-H3C(O)CH3
  638738.8684  0.0762 -6.2364 3 1090.1569636  59516140479 475 3    79 376 3      C-13-H3C(O)CH3
  638738.8684  0.0762 -6.2364 3 1090.1569636  59516140479 575 3    79 476 3      C-13-H3C(O)CH3
  638738.8684  0.0762 -5.9715 3 1090.1569636  59516140479 575 3    79 376 3      C-13-H3C(O)CH3
  638805.1927  0.0124 -5.2083 3  168.4340408  5951614042519 6 1    2416 8 1      C-13-H3C(O)CH3
  638817.2450  0.0068 -3.9292 3  679.4446476  59516140459 951 4    58 850 4      C-13-H3C(O)CH3
  638817.2450  0.0068 -6.1449 3  679.4446476  59516140459 951 4    58 950 4      C-13-H3C(O)CH3
  638817.2450  0.0068 -3.9292 3  679.4446476  59516140459 851 4    58 950 4      C-13-H3C(O)CH3
  638817.2450  0.0068 -6.1449 3  679.4446476  59516140459 851 4    58 850 4      C-13-H3C(O)CH3
  638817.2904  0.0068 -4.0382 3  679.4446476  59516140459 951 3    58 850 3      C-13-H3C(O)CH3
  638817.2904  0.0068 -4.5711 3  679.4446476  59516140459 951 3    58 950 3      C-13-H3C(O)CH3
  638817.2904  0.0068 -4.5711 3  679.4446476  59516140459 851 3    58 850 3      C-13-H3C(O)CH3
  638817.2904  0.0068 -4.0382 3  679.4446476  59516140459 851 3    58 950 3      C-13-H3C(O)CH3
  638819.1002  0.0169 -5.4602 3  168.4333204  5951614042519 6 4    2416 8 4      C-13-H3C(O)CH3
  638821.7316  0.0118 -4.1710 3  679.4756952  59516140459 951 1    58 850 1      C-13-H3C(O)CH3
  638821.7316  0.0118 -3.7712 3  679.4756952  59516140459 951 1    58 950 1      C-13-H3C(O)CH3
  638821.7316  0.0118 -3.7712 3  679.4756952  59516140459 851 1    58 850 1      C-13-H3C(O)CH3
  638821.7316  0.0118 -4.1710 3  679.4756952  59516140459 851 1    58 950 1      C-13-H3C(O)CH3
  638822.2363  0.0116 -3.6438 3  679.4753952  59516140459 851 2    58 850 2      C-13-H3C(O)CH3
  638822.2363  0.0116 -5.0107 3  679.4753952  59516140459 851 2    58 950 2      C-13-H3C(O)CH3
  638822.2363  0.0116 -5.0107 3  679.4753952  59516140459 951 2    58 850 2      C-13-H3C(O)CH3
  638822.2363  0.0116 -3.6438 3  679.4753952  59516140459 951 2    58 950 2      C-13-H3C(O)CH3
  638826.6834  0.0058 -6.1720 3  679.5063952  59516140459 851 0    58 850 0      C-13-H3C(O)CH3
  638826.6834  0.0058 -6.1720 3  679.5063952  59516140459 951 0    58 950 0      C-13-H3C(O)CH3
  638826.6834  0.0058 -3.6269 3  679.5063952  59516140459 851 0    58 950 0      C-13-H3C(O)CH3
  638826.6834  0.0058 -3.6269 3  679.5063952  59516140459 951 0    58 850 0      C-13-H3C(O)CH3
  638868.4941  0.1755 -5.3619 3  833.8377888  595161404553521 2    543618 2      C-13-H3C(O)CH3
  638956.7794  0.0101 -4.9927 3  168.4342408  5951614042519 7 0    2416 8 0      C-13-H3C(O)CH3
  639007.4892  0.1632 -5.5977 3 1090.1769C72  59516140479 475 1    79 476 1      C-13-H3C(O)CH3
  639007.4892  0.1632 -6.1113 3 1090.1769C72  59516140479 475 1    79 376 1      C-13-H3C(O)CH3
  639007.4892  0.1632 -5.5977 3 1090.1769C72  59516140479 575 1    79 376 1      C-13-H3C(O)CH3
  639007.4892  0.1632 -6.1113 3 1090.1769C72  59516140479 575 1    79 476 1      C-13-H3C(O)CH3
  639008.5166  0.0058 -5.0712 3  615.0359824  595161404511734 0    501833 0      C-13-H3C(O)CH3
  639008.5166  0.0058 -3.7202 3  615.0359824  595161404511734 0    501733 0      C-13-H3C(O)CH3
  639008.5166  0.0058 -5.0712 3  615.0359824  595161404511834 0    501733 0      C-13-H3C(O)CH3
  639008.5166  0.0058 -3.7202 3  615.0359824  595161404511834 0    501833 0      C-13-H3C(O)CH3
  639010.8769  0.1629 -5.5424 3 1090.1766C72  59516140479 475 2    79 476 2      C-13-H3C(O)CH3
  639010.8769  0.1629 -5.5424 3 1090.1766C72  59516140479 575 2    79 376 2      C-13-H3C(O)CH3
  639025.7467  0.0760 -5.8549 3 1042.5607628  59516140478 475 4    78 376 4      C-13-H3C(O)CH3
  639025.7467  0.0760 -5.8797 3 1042.5607628  59516140478 375 4    78 276 4      C-13-H3C(O)CH3
  639026.4759  0.0758 -5.8992 3 1042.5607628  59516140478 475 3    78 276 3      C-13-H3C(O)CH3
  639026.4759  0.0758 -5.8992 3 1042.5607628  59516140478 375 3    78 376 3      C-13-H3C(O)CH3
  639039.3637  0.0085 -4.3165 3  615.0150824  595161404511834 1    501733 1      C-13-H3C(O)CH3
  639039.3637  0.0085 -3.8219 3  615.0150824  595161404511734 1    501733 1      C-13-H3C(O)CH3
  639039.3637  0.0085 -3.8219 3  615.0150824  595161404511834 1    501833 1      C-13-H3C(O)CH3
  639039.3637  0.0085 -4.3165 3  615.0150824  595161404511734 1    501833 1      C-13-H3C(O)CH3
  639042.0064  0.0086 -5.1451 3  615.0143824  595161404511834 2    501833 2      C-13-H3C(O)CH3
  639042.0064  0.0086 -4.5513 3  615.0143824  595161404511834 2    501733 2      C-13-H3C(O)CH3
  639042.0064  0.0086 -3.7674 3  615.0143824  595161404511734 2    501733 2      C-13-H3C(O)CH3
  639042.0064  0.0086 -3.7172 3  615.0143824  595161404511734 2    501833 2      C-13-H3C(O)CH3
  639072.9010  0.0092 -4.0022 3  614.9934412  595161404511734 3    501733 3      C-13-H3C(O)CH3
  639072.9010  0.0092 -4.0022 3  614.9934412  595161404511834 3    501833 3      C-13-H3C(O)CH3
  639072.9344  0.0092 -4.0036 3  614.9934412  595161404511834 4    501733 4      C-13-H3C(O)CH3
  639072.9344  0.0092 -5.4383 3  614.9934412  595161404511734 4    501833 4      C-13-H3C(O)CH3
  639072.9344  0.0092 -4.0185 3  614.9934412  595161404511734 4    501733 4      C-13-H3C(O)CH3
  639077.7926  0.1302 -5.4509 3  833.8522444  595161404553521 3    543618 3      C-13-H3C(O)CH3
  639085.6724  0.0131 -5.2389 3  168.4302408  5951614042519 6 2    2416 8 2      C-13-H3C(O)CH3
  639132.3070  0.1163 -5.3243 3  833.8276888  595161404553521 1    543618 1      C-13-H3C(O)CH3
  639212.7438  0.0939 -6.1168 3 1188.8545A32  595161404644817 0    634914 0      C-13-H3C(O)CH3
  639212.7442  0.0939 -6.1168 3 1188.8545A32  595161404644816 0    634915 0      C-13-H3C(O)CH3
  639260.4665  0.0952 -6.0934 3  995.5533620  59516140477 275 4    77 176 4      C-13-H3C(O)CH3
  639260.4665  0.0952 -6.2966 3  995.5533620  59516140477 375 4    77 176 4      C-13-H3C(O)CH3
  639260.4665  0.0952 -6.0934 3  995.5533620  59516140477 375 4    77 276 4      C-13-H3C(O)CH3
  639260.4665  0.0952 -6.2966 3  995.5533620  59516140477 275 4    77 276 4      C-13-H3C(O)CH3
  639260.4714  0.0948 -5.9306 3  995.5533620  59516140477 375 3    77 176 3      C-13-H3C(O)CH3
  639260.4714  0.0948 -5.9306 3  995.5533620  59516140477 275 3    77 276 3      C-13-H3C(O)CH3
  639279.2541  0.0887 -5.4928 3 1090.1965C72  59516140479 575 0    79 376 0      C-13-H3C(O)CH3
  639279.2541  0.0887 -5.4928 3 1090.1965C72  59516140479 475 0    79 476 0      C-13-H3C(O)CH3
  639381.0104  0.1060 -6.1167 3 1188.8540A32  595161404644817 1    634915 1      C-13-H3C(O)CH3
  639413.2728  0.1199 -6.1169 3 1188.8973A32  595161404644816 2    634914 2      C-13-H3C(O)CH3
  639434.3633  0.1452 -6.2500 3  949.1370612  59516140476 175 3    76 076 3      C-13-H3C(O)CH3
  639434.3633  0.1452 -6.2500 3  949.1370612  59516140476 275 3    76 176 3      C-13-H3C(O)CH3
  639436.2687  0.1449 -6.1034 3  949.1370612  59516140476 175 4    76 176 4      C-13-H3C(O)CH3
  639436.2687  0.1449 -6.1034 3  949.1370612  59516140476 275 4    76 076 4      C-13-H3C(O)CH3
  639449.6202  0.1081 -6.1167 3 1188.8894A32  595161404644816 1    634914 1      C-13-H3C(O)CH3
  639486.0644  0.1000 -6.1169 3 1188.8545A32  595161404644817 2    634915 2      C-13-H3C(O)CH3
  639517.8322  0.1227 -5.7101 3 1042.5635C56  59516140478 375 1    78 376 1      C-13-H3C(O)CH3
  639517.8322  0.1227 -5.9283 3 1042.5635C56  59516140478 375 1    78 276 1      C-13-H3C(O)CH3
  639517.8322  0.1227 -5.9283 3 1042.5635C56  59516140478 475 1    78 376 1      C-13-H3C(O)CH3
  639517.8322  0.1227 -5.7101 3 1042.5635C56  59516140478 475 1    78 276 1      C-13-H3C(O)CH3
  639520.6175  0.1214 -5.9364 3 1042.5631C56  59516140478 375 2    78 376 2      C-13-H3C(O)CH3
  639520.6175  0.1214 -5.9364 3 1042.5631C56  59516140478 475 2    78 276 2      C-13-H3C(O)CH3
  639520.6175  0.1214 -5.7051 3 1042.5631C56  59516140478 375 2    78 276 2      C-13-H3C(O)CH3
  639520.6175  0.1214 -5.7051 3 1042.5631C56  59516140478 475 2    78 376 2      C-13-H3C(O)CH3
  639766.8762  0.0783 -5.1150 3  833.7891888  595161404553521 0    543618 0      C-13-H3C(O)CH3
  639919.3048  0.0058 -5.2851 3  626.7844840  595161404521736 0    511735 0      C-13-H3C(O)CH3
  639919.3048  0.0058 -3.7050 3  626.7844840  595161404521636 0    511735 0      C-13-H3C(O)CH3
  639919.3048  0.0058 -5.2851 3  626.7844840  595161404521636 0    511635 0      C-13-H3C(O)CH3
  639919.3048  0.0058 -3.7050 3  626.7844840  595161404521736 0    511635 0      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.4775 3  686.2110484 -59516140460 853 3    59 752 3      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.0609 3  686.2110484 -59516140460 753 3    59 752 3      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.0609 3  686.2110484 -59516140460 853 3    59 852 3      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.3570 3  686.2110484 -59516140460 753 4    59 852 4      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.4775 3  686.2110484 -59516140460 753 3    59 852 3      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.1177 3  686.2110484 -59516140460 853 4    59 852 4      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.1177 3  686.2110484 -59516140460 753 4    59 752 4      C-13-H3C(O)CH3
  639933.5926  0.0063 -4.3570 3  686.2110484 -59516140460 853 4    59 752 4      C-13-H3C(O)CH3
  639943.6211  0.0111 -4.4020 3  686.2412968  59516140460 853 1    59 852 1      C-13-H3C(O)CH3
  639943.6211  0.0111 -3.6973 3  686.2412968  59516140460 753 1    59 852 1      C-13-H3C(O)CH3
  639943.6211  0.0111 -4.4020 3  686.2412968  59516140460 753 1    59 752 1      C-13-H3C(O)CH3
  639943.6211  0.0111 -3.6973 3  686.2412968  59516140460 853 1    59 752 1      C-13-H3C(O)CH3
  639944.0622  0.0109 -3.6676 3  686.2409968  59516140460 753 2    59 752 2      C-13-H3C(O)CH3
  639944.0622  0.0109 -4.5945 3  686.2409968  59516140460 753 2    59 852 2      C-13-H3C(O)CH3
  639944.0622  0.0109 -4.5945 3  686.2409968  59516140460 853 2    59 752 2      C-13-H3C(O)CH3
  639944.0622  0.0109 -3.6676 3  686.2409968  59516140460 853 2    59 852 2      C-13-H3C(O)CH3
  639948.0665  0.0090 -3.6938 3  626.7625840  595161404521736 1    511735 1      C-13-H3C(O)CH3
  639948.0665  0.0090 -3.6938 3  626.7625840  595161404521636 1    511635 1      C-13-H3C(O)CH3
  639950.1407  0.0091 -5.2073 3  626.7619840  595161404521636 2    511635 2      C-13-H3C(O)CH3
  639950.1407  0.0091 -3.7074 3  626.7619840  595161404521636 2    511735 2      C-13-H3C(O)CH3
  639950.1407  0.0091 -3.7072 3  626.7619840  595161404521736 2    511635 2      C-13-H3C(O)CH3
  639950.1407  0.0091 -5.2018 3  626.7619840  595161404521736 2    511735 2      C-13-H3C(O)CH3
  639954.1359  0.0057 -3.8094 3  686.2710968 -59516140460 753 0    59 752 0      C-13-H3C(O)CH3
  639954.1359  0.0057 -4.0690 3  686.2710968 -59516140460 753 0    59 852 0      C-13-H3C(O)CH3
  639954.1359  0.0057 -4.0690 3  686.2710968 -59516140460 853 0    59 752 0      C-13-H3C(O)CH3
  639954.1359  0.0057 -3.8094 3  686.2710968 -59516140460 853 0    59 852 0      C-13-H3C(O)CH3
  639978.9469  0.0093 -4.0084 3  626.7400420  595161404521736 3    511735 3      C-13-H3C(O)CH3
  639978.9469  0.0093 -5.5013 3  626.7400420  595161404521636 3    511735 3      C-13-H3C(O)CH3
  639978.9469  0.0093 -4.0084 3  626.7400420  595161404521636 3    511635 3      C-13-H3C(O)CH3
  639978.9469  0.0093 -5.5013 3  626.7400420  595161404521736 3    511635 3      C-13-H3C(O)CH3
  639978.9744  0.0093 -4.8263 3  626.7400420  595161404521736 4    511635 4      C-13-H3C(O)CH3
  639978.9744  0.0093 -4.3610 3  626.7400420  595161404521736 4    511735 4      C-13-H3C(O)CH3
  639978.9744  0.0093 -4.0639 3  626.7400420  595161404521636 4    511635 4      C-13-H3C(O)CH3
  639978.9744  0.0093 -4.2389 3  626.7400420  595161404521636 4    511735 4      C-13-H3C(O)CH3
  640011.4138  0.0762 -5.5985 3 1042.5659C56  59516140478 475 0    78 376 0      C-13-H3C(O)CH3
  640011.4138  0.0762 -6.2115 3 1042.5659C56  59516140478 375 0    78 376 0      C-13-H3C(O)CH3
  640011.4138  0.0762 -5.5644 3 1042.5659C56  59516140478 375 0    78 276 0      C-13-H3C(O)CH3
  640022.7054  0.0186 -6.0778 3  137.9977180  5951614042220 2 4    2117 4 4      C-13-H3C(O)CH3
  640032.8985  0.0155 -6.0731 3  137.9395180  5951614042220 3 3    2117 4 3      C-13-H3C(O)CH3
  640039.8431  0.1375 -5.6620 3  995.5289C40  59516140477 375 2    77 176 2      C-13-H3C(O)CH3
  640039.8431  0.1375 -5.6620 3  995.5289C40  59516140477 275 2    77 276 2      C-13-H3C(O)CH3
  640040.1366  0.1390 -6.0299 3  995.5293C40  59516140477 375 1    77 176 1      C-13-H3C(O)CH3
  640040.1366  0.1390 -5.9649 3  995.5293C40  59516140477 275 1    77 276 1      C-13-H3C(O)CH3
  640040.1366  0.1390 -5.7701 3  995.5293C40  59516140477 275 1    77 176 1      C-13-H3C(O)CH3
  640040.1366  0.1390 -5.8105 3  995.5293C40  59516140477 375 1    77 276 1      C-13-H3C(O)CH3
  640055.8397  0.0046 -3.5439 3  352.6591584  595161404362413 1    352312 1      C-13-H3C(O)CH3
  640066.0234  0.0086 -3.8686 3  352.6386292  595161404362413 4    352312 4      C-13-H3C(O)CH3
  640094.3311  0.0044 -3.5431 3  352.6802584 -595161404362413 0    352312 0      C-13-H3C(O)CH3
  640096.7217  0.0091 -3.8599 3  352.6389292  595161404362413 3    352312 3      C-13-H3C(O)CH3
  640118.9046  0.0075 -3.5632 3  352.6601584  595161404362413 2    352312 2      C-13-H3C(O)CH3
  640141.4138  0.0851 -5.4773 3  833.7953888  595161404553521 2    543619 2      C-13-H3C(O)CH3
  640176.5301  0.0955 -5.6487 3  833.8076444  595161404553521 4    543619 4      C-13-H3C(O)CH3
  640184.4636  0.0821 -5.5321 3  833.7925888  595161404553521 1    543619 1      C-13-H3C(O)CH3
  640366.5190  0.0161 -6.0745 3  137.9329180  5951614042220 2 3    2117 5 3      C-13-H3C(O)CH3
  640377.7698  0.0159 -6.0696 3  137.8748180  5951614042220 3 4    2117 5 4      C-13-H3C(O)CH3
  640571.5945  0.2985 -5.9483 3  949.0740C24  59516140476 175 2    76 176 2      C-13-H3C(O)CH3
  640571.5945  0.2985 -6.2763 3  949.0740C24  59516140476 175 2    76 076 2      C-13-H3C(O)CH3
  640571.5945  0.2985 -6.2763 3  949.0740C24  59516140476 275 2    76 176 2      C-13-H3C(O)CH3
  640571.5945  0.2985 -5.9483 3  949.0740C24  59516140476 275 2    76 076 2      C-13-H3C(O)CH3
  640578.7915  0.2948 -5.7980 3  949.0742C24  59516140476 175 1    76 076 1      C-13-H3C(O)CH3
  640578.7915  0.2948 -5.7980 3  949.0742C24  59516140476 275 1    76 176 1      C-13-H3C(O)CH3
  640606.5237  0.0082 -5.1847 3  174.8745212  5951614042617 9 3    251412 3      C-13-H3C(O)CH3
  640606.6438  0.0069 -3.0897 3  330.1154520 -5951614043232 1 2    3131 1 2      C-13-H3C(O)CH3
  640646.6687  0.0063 -3.0898 3  330.1910520 -5951614043232 1 0    3131 1 0      C-13-H3C(O)CH3
  640646.6687  0.0063 -3.0898 3  330.1910520 -5951614043232 0 0    3131 0 0      C-13-H3C(O)CH3
  640656.4649  0.0096 -3.3905 3  330.0343260  5951614043232 1 4    3131 1 4      C-13-H3C(O)CH3
  640673.1854  0.0077 -5.1894 3  174.8745212  5951614042617 9 4    251412 4      C-13-H3C(O)CH3
  640674.5307  0.0149 -5.7761 3  137.9816360  5951614042220 2 1    2117 4 1      C-13-H3C(O)CH3
  640696.1851  0.0072 -3.0895 3  330.1098520 -5951614043232 1 1    3131 1 1      C-13-H3C(O)CH3
  640736.1709  0.0072 -4.8816 3  174.8760424  5951614042617 9 2    251412 2      C-13-H3C(O)CH3
  640759.5783  0.0071 -4.8846 3  174.8806424  5951614042617 9 1    251412 1      C-13-H3C(O)CH3
  640818.2423  0.1033 -5.5914 3  995.5049C40  59516140477 375 0    77 176 0      C-13-H3C(O)CH3
  640818.2423  0.1033 -5.5914 3  995.5049C40  59516140477 275 0    77 276 0      C-13-H3C(O)CH3
  640845.6640  0.0069 -3.0894 3  330.1354520 -5951614043232 0 2    3131 0 2      C-13-H3C(O)CH3
  640855.2391  0.0072 -4.8800 3  174.8820424  5951614042617 9 0    251412 0      C-13-H3C(O)CH3
  640881.1937  0.0092 -3.3903 3  330.0799260  5951614043232 0 3    3131 0 3      C-13-H3C(O)CH3
  640883.6472  0.0058 -3.7916 3  637.9680856  595161404531538 0    521537 0      C-13-H3C(O)CH3
  640883.6472  0.0058 -4.3571 3  637.9680856  595161404531638 0    521537 0      C-13-H3C(O)CH3
  640883.6472  0.0058 -3.7302 3  637.9680856  595161404531638 0    521637 0      C-13-H3C(O)CH3
  640883.6472  0.0058 -4.7123 3  637.9680856  595161404531538 0    521637 0      C-13-H3C(O)CH3
  640894.7561  0.0092 -3.3902 3  330.0544260  5951614043232 1 3    3131 1 3      C-13-H3C(O)CH3
  640909.9200  0.0096 -3.6974 3  637.9450856  595161404531538 1    521637 1      C-13-H3C(O)CH3
  640909.9200  0.0096 -5.3185 3  637.9450856  595161404531538 1    521537 1      C-13-H3C(O)CH3
  640909.9200  0.0096 -5.3185 3  637.9450856  595161404531638 1    521637 1      C-13-H3C(O)CH3
  640909.9200  0.0096 -3.6974 3  637.9450856  595161404531638 1    521537 1      C-13-H3C(O)CH3
  640911.5642  0.0096 -3.6871 3  637.9445856  595161404531538 2    521637 2      C-13-H3C(O)CH3
  640911.5642  0.0096 -3.6871 3  637.9445856  595161404531638 2    521537 2      C-13-H3C(O)CH3
  640921.7404  0.0069 -3.0893 3  330.1555520 -5951614043232 0 1    3131 0 1      C-13-H3C(O)CH3
  640935.2292  0.0139 -5.7788 3  137.9890360  5951614042220 2 2    2117 4 2      C-13-H3C(O)CH3
  640937.8781  0.0094 -5.6001 3  637.9214428  595161404531538 3    521537 3      C-13-H3C(O)CH3
  640937.8781  0.0094 -3.9988 3  637.9214428  595161404531538 3    521637 3      C-13-H3C(O)CH3
  640937.8781  0.0094 -3.9988 3  637.9214428  595161404531638 3    521537 3      C-13-H3C(O)CH3
  640937.8781  0.0094 -5.6001 3  637.9214428  595161404531638 3    521637 3      C-13-H3C(O)CH3
  640937.8987  0.0094 -5.3229 3  637.9214428  595161404531638 4    521637 4      C-13-H3C(O)CH3
  640937.8987  0.0094 -4.0086 3  637.9214428  595161404531538 4    521637 4      C-13-H3C(O)CH3
  640937.8987  0.0094 -5.3229 3  637.9214428  595161404531538 4    521537 4      C-13-H3C(O)CH3
  640937.8987  0.0094 -4.0086 3  637.9214428  595161404531638 4    521537 4      C-13-H3C(O)CH3
  640941.6701  0.0150 -5.7741 3  137.9309360  5951614042220 3 2    2117 5 2      C-13-H3C(O)CH3
  640969.7255  0.3500 -6.2701 3 1740.2959E80  595161404921676 0    921677 0      C-13-H3C(O)CH3
  641013.0095  0.4318 -6.3010 3 1740.3162E80  595161404921676 1    921677 1      C-13-H3C(O)CH3
  641013.0095  0.4318 -6.3010 3 1740.3162E80  595161404921776 1    921577 1      C-13-H3C(O)CH3
  641014.5406  0.0149 -5.7728 3  137.9170360  5951614042220 3 1    2117 5 1      C-13-H3C(O)CH3
  641059.2480  0.0057 -3.9132 3  692.4395492 -59516140461 755 3    60 654 3      C-13-H3C(O)CH3
  641059.2480  0.0057 -4.9149 3  692.4395492 -59516140461 755 4    60 654 4      C-13-H3C(O)CH3
  641059.2480  0.0057 -3.9587 3  692.4395492 -59516140461 755 4    60 754 4      C-13-H3C(O)CH3
  641059.2480  0.0057 -4.9149 3  692.4395492 -59516140461 655 4    60 754 4      C-13-H3C(O)CH3
  641059.2480  0.0057 -3.9132 3  692.4395492 -59516140461 655 3    60 754 3      C-13-H3C(O)CH3
  641059.2480  0.0057 -3.9587 3  692.4395492 -59516140461 655 4    60 654 4      C-13-H3C(O)CH3
  641075.4283  0.0096 -5.3520 3  692.4673984 -59516140461 655 2    60 754 2      C-13-H3C(O)CH3
  641075.4283  0.0096 -3.6201 3  692.4673984 -59516140461 655 2    60 654 2      C-13-H3C(O)CH3
  641075.4283  0.0099 -3.9832 3  692.4675984 -59516140461 655 1    60 654 1      C-13-H3C(O)CH3
  641075.4283  0.0099 -3.8529 3  692.4675984 -59516140461 755 1    60 654 1      C-13-H3C(O)CH3
  641075.4283  0.0099 -3.9832 3  692.4675984 -59516140461 755 1    60 754 1      C-13-H3C(O)CH3
  641075.4283  0.0096 -3.6201 3  692.4673984 -59516140461 755 2    60 754 2      C-13-H3C(O)CH3
  641075.4283  0.0099 -3.8529 3  692.4675984 -59516140461 655 1    60 754 1      C-13-H3C(O)CH3
  641075.4283  0.0096 -5.3520 3  692.4673984 -59516140461 755 2    60 654 2      C-13-H3C(O)CH3
  641091.2649  0.0053 -3.6368 3  692.4952984 -59516140461 755 0    60 754 0      C-13-H3C(O)CH3
  641091.2649  0.0053 -4.8721 3  692.4952984 -59516140461 755 0    60 654 0      C-13-H3C(O)CH3
  641091.2649  0.0053 -3.6368 3  692.4952984 -59516140461 655 0    60 654 0      C-13-H3C(O)CH3
  641091.2649  0.0053 -4.8721 3  692.4952984 -59516140461 655 0    60 754 0      C-13-H3C(O)CH3
  641119.9732  0.0095 -3.3900 3  330.0999260  5951614043232 0 4    3131 0 4      C-13-H3C(O)CH3
  641293.4782  0.0104 -3.7396 3  328.1931568  595161404352213 2    342114 2      C-13-H3C(O)CH3
  641369.7348  0.0072 -4.2951 3  229.8899244  595161404301614 3    291515 3      C-13-H3C(O)CH3
  641373.6275  0.0075 -4.2951 3  229.8899244  595161404301614 4    291515 4      C-13-H3C(O)CH3
  641382.0067  0.0060 -3.9942 3  229.9032488  595161404301614 2    291515 2      C-13-H3C(O)CH3
  641383.4743  0.0080 -3.7408 3  328.2174568 -595161404352213 0    342114 0      C-13-H3C(O)CH3
  641384.3924  0.0118 -4.0414 3  328.1727284  595161404352213 4    342114 4      C-13-H3C(O)CH3
  641397.2437  0.0133 -4.0415 3  328.1728284  595161404352213 3    342114 3      C-13-H3C(O)CH3
  641457.7633  0.0596 -5.3454 3  851.0119904  595161404563324 0    553421 0      C-13-H3C(O)CH3
  641479.1217  0.0091 -3.7416 3  328.1971568  595161404352213 1    342114 1      C-13-H3C(O)CH3
  641487.4174  0.0061 -3.9941 3  229.9073488  595161404301614 1    291515 1      C-13-H3C(O)CH3
  641499.0047  0.0055 -3.9941 3  229.9206488  595161404301614 0    291515 0      C-13-H3C(O)CH3
  641517.1826  0.3345 -6.1737 3 1685.1755E64  595161404911576 0    911477 0      C-13-H3C(O)CH3
  641517.1826  0.3345 -6.1654 3 1685.1755E64  595161404911676 0    911577 0      C-13-H3C(O)CH3
  641582.5623  0.0159 -5.7781 3  137.9730360  5951614042220 3 0    2117 4 0      C-13-H3C(O)CH3
  641587.5385  0.0159 -5.7781 3  137.9728360  5951614042220 2 0    2117 5 0      C-13-H3C(O)CH3
  641602.1663  0.4136 -6.2637 3 1685.1930E64  595161404911576 2    911577 2      C-13-H3C(O)CH3
  641602.1663  0.4136 -6.2637 3 1685.1930E64  595161404911676 2    911477 2      C-13-H3C(O)CH3
  641605.2757  0.1336 -5.3748 3  796.3243436  595161404543322 4    533419 4      C-13-H3C(O)CH3
  641699.9255  0.0575 -5.3402 3  851.0070904  595161404563324 1    553421 1      C-13-H3C(O)CH3
  641713.2798  0.2031 -6.0438 3  949.0113C24  59516140476 175 0    76 076 0      C-13-H3C(O)CH3
  641713.2798  0.2031 -6.0438 3  949.0113C24  59516140476 275 0    76 176 0      C-13-H3C(O)CH3
  641713.2798  0.2031 -6.1195 3  949.0113C24  59516140476 175 0    76 176 0      C-13-H3C(O)CH3
  641713.2798  0.2031 -6.1195 3  949.0113C24  59516140476 275 0    76 076 0      C-13-H3C(O)CH3
  641749.3793  0.0050 -4.3447 3  208.4793236  595161404291415 3    281316 3      C-13-H3C(O)CH3
  641749.6894  0.0059 -4.3447 3  208.4793236  595161404291415 4    281316 4      C-13-H3C(O)CH3
  641749.9636  0.0067 -4.6092 3  160.9697220  59516140427 918 4    26 819 4      C-13-H3C(O)CH3
  641749.9660  0.0067 -4.6092 3  160.9697220  595161404271018 4    26 719 4      C-13-H3C(O)CH3
  641750.1989  0.0052 -4.6092 3  160.9697220  59516140427 918 3    26 819 3      C-13-H3C(O)CH3
  641750.2013  0.0052 -4.6092 3  160.9697220  595161404271018 3    26 719 3      C-13-H3C(O)CH3
  641753.0939  0.0740 -5.3393 3  851.0049904  595161404563324 2    553421 2      C-13-H3C(O)CH3
  641856.7638  0.0047 -4.0435 3  208.4888472  595161404291415 2    281316 2      C-13-H3C(O)CH3
  641869.3129  0.0334 -6.2281 3  741.9700856  595161404532726 0    532429 0      C-13-H3C(O)CH3
  641878.6993  0.0058 -4.3445 3  208.4792236  595161404291515 4    281216 4      C-13-H3C(O)CH3
  641878.7939  0.0049 -4.3445 3  208.4791236  595161404291515 3    281216 3      C-13-H3C(O)CH3
  641887.7086  0.0059 -4.3165 3  648.5930872  595161404541540 0    531539 0      C-13-H3C(O)CH3
  641887.7086  0.0059 -3.7956 3  648.5930872  595161404541540 0    531439 0      C-13-H3C(O)CH3
  641887.7086  0.0059 -3.7956 3  648.5930872  595161404541440 0    531539 0      C-13-H3C(O)CH3
  641887.7086  0.0059 -4.3165 3  648.5930872  595161404541440 0    531439 0      C-13-H3C(O)CH3
  641891.3589  0.0333 -6.2280 3  741.9700856  595161404532826 0    532529 0      C-13-H3C(O)CH3
  641899.2776  0.0047 -4.0435 3  208.4917472  595161404291415 1    281316 1      C-13-H3C(O)CH3
  641911.0762  0.0102 -5.3036 3  648.5687872  595161404541440 1    531539 1      C-13-H3C(O)CH3
  641911.0762  0.0102 -3.6916 3  648.5687872  595161404541440 1    531439 1      C-13-H3C(O)CH3
  641911.0762  0.0102 -5.3036 3  648.5687872  595161404541540 1    531439 1      C-13-H3C(O)CH3
  641911.0762  0.0102 -3.6916 3  648.5687872  595161404541540 1    531539 1      C-13-H3C(O)CH3
  641912.3914  0.0102 -3.6818 3  648.5683872  595161404541440 2    531439 2      C-13-H3C(O)CH3
  641912.3914  0.0102 -3.6818 3  648.5683872  595161404541540 2    531539 2      C-13-H3C(O)CH3
  641928.4251  0.0500 -6.2279 3  741.9649856  595161404532726 2    532429 2      C-13-H3C(O)CH3
  641935.7962  0.0093 -4.5719 3  648.5439436  595161404541540 3    531539 3      C-13-H3C(O)CH3
  641935.7962  0.0093 -4.5719 3  648.5439436  595161404541440 3    531439 3      C-13-H3C(O)CH3
  641935.7962  0.0093 -4.1112 3  648.5439436  595161404541440 3    531539 3      C-13-H3C(O)CH3
  641935.7962  0.0093 -4.1112 3  648.5439436  595161404541540 3    531439 3      C-13-H3C(O)CH3
  641935.8090  0.0093 -4.0483 3  648.5439436  595161404541540 4    531539 4      C-13-H3C(O)CH3
  641935.8090  0.0093 -4.8316 3  648.5439436  595161404541540 4    531439 4      C-13-H3C(O)CH3
  641935.8090  0.0093 -4.8316 3  648.5439436  595161404541440 4    531539 4      C-13-H3C(O)CH3
  641935.8090  0.0093 -4.0483 3  648.5439436  595161404541440 4    531439 4      C-13-H3C(O)CH3
  641936.1769  0.0366 -6.2272 3  741.9653856  595161404532726 1    532429 1      C-13-H3C(O)CH3
  641949.9866  0.0688 -5.6359 3  851.0014452  595161404563324 4    553421 4      C-13-H3C(O)CH3
  641952.1322  0.0496 -6.2279 3  741.9649856  595161404532826 2    532529 2      C-13-H3C(O)CH3
  641959.8061  0.0366 -6.2272 3  741.9653856  595161404532826 1    532529 1      C-13-H3C(O)CH3
  641988.7282  0.0047 -4.0434 3  208.4887472  595161404291515 2    281216 2      C-13-H3C(O)CH3
  641992.5920  0.0782 -5.3412 3  796.3126436  595161404543322 3    533419 3      C-13-H3C(O)CH3
  642006.4227  0.0046 -4.0433 3  208.5013472  595161404291415 0    281316 0      C-13-H3C(O)CH3
  642021.2309  0.0788 -5.6345 3  850.9993452  595161404563324 3    553421 3      C-13-H3C(O)CH3
  642026.8671  0.0047 -4.0434 3  208.4916472  595161404291515 1    281216 1      C-13-H3C(O)CH3
  642049.6178  0.0048 -4.3076 3  160.9605440  59516140427 918 2    26 819 2      C-13-H3C(O)CH3
  642049.6203  0.0048 -4.3076 3  160.9605440  595161404271018 2    26 719 2      C-13-H3C(O)CH3
  642050.4896  0.3095 -6.2625 3 1630.6288E48  595161404901476 0    901477 0      C-13-H3C(O)CH3
  642050.4896  0.3095 -6.2625 3 1630.6288E48  595161404901576 0    901377 0      C-13-H3C(O)CH3
  642064.7117  0.0049 -4.3077 3  160.9617440  59516140427 918 1    26 819 1      C-13-H3C(O)CH3
  642064.7140  0.0049 -4.3077 3  160.9617440  595161404271018 1    26 719 1      C-13-H3C(O)CH3
  642110.9232  0.0982 -5.0520 3  796.3028872  595161404543322 2    533419 2      C-13-H3C(O)CH3
  642136.6244  0.0046 -4.0432 3  208.5012472  595161404291515 0    281216 0      C-13-H3C(O)CH3
  642165.0121  0.3858 -6.0802 3 1630.6415E48  595161404901476 2    901477 2      C-13-H3C(O)CH3
  642165.0121  0.3858 -6.0802 3 1630.6415E48  595161404901576 2    901377 2      C-13-H3C(O)CH3
  642194.3080  0.0051 -3.9951 3  698.1317500  59516140462 657 4    61 556 4      C-13-H3C(O)CH3
  642194.3080  0.0051 -4.6367 3  698.1317500  59516140462 557 4    61 556 4      C-13-H3C(O)CH3
  642194.3216  0.0051 -4.5777 3  698.1317500 -59516140462 657 3    61 556 3      C-13-H3C(O)CH3
  642194.3216  0.0051 -4.0098 3  698.1317500 -59516140462 557 3    61 556 3      C-13-H3C(O)CH3
  642194.3216  0.0051 -3.9951 3  698.1317500 -59516140462 557 4    61 656 4      C-13-H3C(O)CH3
  642194.3216  0.0051 -4.6367 3  698.1317500 -59516140462 657 4    61 656 4      C-13-H3C(O)CH3
  642194.3573  0.0051 -4.0098 3  698.1317500  59516140462 657 3    61 656 3      C-13-H3C(O)CH3
  642194.3573  0.0051 -4.5777 3  698.1317500  59516140462 557 3    61 656 3      C-13-H3C(O)CH3
  642209.4952  0.0142 -6.2003 3  540.7467744  595161404462125 0    461828 0      C-13-H3C(O)CH3
  642209.6737  0.0142 -6.2003 3  540.7467744  595161404462225 0    461928 0      C-13-H3C(O)CH3
  642215.3843  0.0081 -4.8716 3  698.1557A00  59516140462 557 1    61 556 1      C-13-H3C(O)CH3
  642215.3843  0.0081 -4.8716 3  698.1557A00  59516140462 657 1    61 656 1      C-13-H3C(O)CH3
  642215.6753  0.0078 -4.5934 3  698.1554A00  59516140462 557 2    61 556 2      C-13-H3C(O)CH3
  642215.6753  0.0078 -3.6519 3  698.1554A00  59516140462 657 2    61 556 2      C-13-H3C(O)CH3
  642215.6780  0.0081 -3.6290 3  698.1557A00 -59516140462 557 1    61 656 1      C-13-H3C(O)CH3
  642215.6780  0.0078 -4.5934 3  698.1554A00 -59516140462 657 2    61 656 2      C-13-H3C(O)CH3
  642215.6780  0.0078 -3.6519 3  698.1554A00 -59516140462 557 2    61 656 2      C-13-H3C(O)CH3
  642215.6780  0.0081 -3.6290 3  698.1557A00 -59516140462 657 1    61 556 1      C-13-H3C(O)CH3
  642233.6434  0.0574 -5.0486 3  796.2991872  595161404543322 1    533419 1      C-13-H3C(O)CH3
  642236.6559  0.0049 -3.9366 3  698.1793A00 -59516140462 557 0    61 556 0      C-13-H3C(O)CH3
  642236.6559  0.0049 -3.8773 3  698.1793A00 -59516140462 657 0    61 556 0      C-13-H3C(O)CH3
  642236.6853  0.0049 -3.9366 3  698.1793A00  59516140462 657 0    61 656 0      C-13-H3C(O)CH3
  642236.6853  0.0049 -3.8773 3  698.1793A00  59516140462 557 0    61 656 0      C-13-H3C(O)CH3
  642240.4393  0.1055 -4.7512 3  599.2142380  595161404472819 3    462918 3      C-13-H3C(O)CH3
  642308.8903  0.1121 -5.7085 3 1056.7449984  595161404614318 2    604416 2      C-13-H3C(O)CH3
  642317.4576  0.0184 -6.2004 3  540.7226744  595161404462125 2    461828 2      C-13-H3C(O)CH3
  642317.6553  0.0184 -6.2004 3  540.7226744  595161404462225 2    461928 2      C-13-H3C(O)CH3
  642333.0501  0.0154 -6.1988 3  540.7238744  595161404462125 1    461828 1      C-13-H3C(O)CH3
  642333.2427  0.0154 -6.1988 3  540.7238744  595161404462225 1    461928 1      C-13-H3C(O)CH3
  642361.1528  0.1262 -5.7085 3 1056.6920984  595161404614319 0    604416 0      C-13-H3C(O)CH3
  642361.9184  0.0993 -4.7545 3  599.2106380  595161404472819 4    462918 4      C-13-H3C(O)CH3
  642362.3873  0.1262 -5.7085 3 1056.6920984  595161404614318 0    604417 0      C-13-H3C(O)CH3
  642363.5233  0.0049 -4.3070 3  160.9525440  59516140427 918 0    26 819 0      C-13-H3C(O)CH3
  642363.5257  0.0049 -4.3070 3  160.9525440  595161404271018 0    26 719 0      C-13-H3C(O)CH3
  642383.3160  0.1083 -6.0094 3 1056.7896492  595161404614318 4    604416 4      C-13-H3C(O)CH3
  642410.9690  0.0057 -3.4564 3  332.8988268  5951614043330 4 4    3229 4 4      C-13-H3C(O)CH3
  642419.3231  0.0056 -5.2908 3  352.6389292  595161404362412 3    352312 3      C-13-H3C(O)CH3
  642421.4455  0.0042 -3.1554 3  332.9644536 -5951614043330 4 2    3229 4 2      C-13-H3C(O)CH3
  642435.4281  0.1272 -5.7084 3 1056.7367984  595161404614318 1    604416 1      C-13-H3C(O)CH3
  642457.8107  0.0044 -3.1553 3  332.9474536 -5951614043330 4 1    3229 4 1      C-13-H3C(O)CH3
  642459.5957  0.0076 -5.1045 3  352.6386292  595161404362412 4    352312 4      C-13-H3C(O)CH3
  642460.0436  0.0057 -4.8761 3  352.6601584  595161404362412 2    352312 2      C-13-H3C(O)CH3
  642469.1073  0.0042 -3.1553 3  333.0129536 -5951614043330 4 0    3229 3 0      C-13-H3C(O)CH3
  642469.1073  0.0042 -3.1553 3  333.0129536 -5951614043330 3 0    3229 4 0      C-13-H3C(O)CH3
  642486.0128  0.0149 -5.4529 3  168.2256204  5951614042519 7 4    2416 9 4      C-13-H3C(O)CH3
  642549.8225  0.0469 -5.0424 3  796.2834872  595161404543322 0    533419 0      C-13-H3C(O)CH3
  642572.3736  0.2759 -6.2192 3 1576.6565E32  595161404891476 0    891377 0      C-13-H3C(O)CH3
  642572.3736  0.2759 -6.2192 3 1576.6565E32  595161404891376 0    891277 0      C-13-H3C(O)CH3
  642590.4800  0.0057 -3.4562 3  332.9014268  5951614043330 4 3    3229 4 3      C-13-H3C(O)CH3
  642591.5887  0.1017 -6.0093 3 1056.7723492  595161404614319 3    604416 3      C-13-H3C(O)CH3
  642601.4530  0.0043 -3.1552 3  332.9669536 -5951614043330 3 2    3229 3 2      C-13-H3C(O)CH3
  642629.2332  0.0056 -3.4561 3  332.9205268  5951614043330 3 3    3229 3 3      C-13-H3C(O)CH3
  642631.5168  0.1053 -5.7084 3 1056.7255984  595161404614319 2    604417 2      C-13-H3C(O)CH3
  642644.7421  0.1144 -5.7083 3 1056.7194984  595161404614319 1    604417 1      C-13-H3C(O)CH3
  642676.4599  0.0044 -3.1550 3  332.9690536 -5951614043330 3 1    3229 3 1      C-13-H3C(O)CH3
  642705.3238  0.1024 -6.0094 3 1056.7701492  595161404614318 3    604417 3      C-13-H3C(O)CH3
  642710.3488  0.3400 -6.0276 3 1576.6636E32  595161404891376 1    891277 1      C-13-H3C(O)CH3
  642710.3488  0.3400 -6.0625 3 1576.6636E32  595161404891476 1    891377 1      C-13-H3C(O)CH3
  642714.9419  0.3428 -6.1533 3 1576.6634E32  595161404891376 2    891377 2      C-13-H3C(O)CH3
  642714.9419  0.3428 -6.1533 3 1576.6634E32  595161404891476 2    891277 2      C-13-H3C(O)CH3
  642789.0792  0.0550 -4.4554 3  545.6286364  595161404452619 3    442718 3      C-13-H3C(O)CH3
  642793.2207  0.1054 -4.4492 3  599.2191760  595161404472819 2    462918 2      C-13-H3C(O)CH3
  642808.3500  0.0061 -3.4558 3  332.9230268 -5951614043330 3 4    3229 3 4      C-13-H3C(O)CH3
  642825.4268  0.0549 -4.4556 3  545.6277364  595161404452619 4    442718 4      C-13-H3C(O)CH3
  642853.1099  0.1879 -6.3166 3 1576.6705716  595161404891376 3    891377 3      C-13-H3C(O)CH3
  642853.1099  0.1879 -6.3166 3 1576.6705716  595161404891476 3    891277 3      C-13-H3C(O)CH3
  642853.3486  0.1880 -6.2952 3 1576.6705716  595161404891476 4    891277 4      C-13-H3C(O)CH3
  642853.3486  0.1880 -6.2952 3 1576.6705716  595161404891376 4    891377 4      C-13-H3C(O)CH3
  642915.3231  0.1081 -6.0092 3 1056.7528492  595161404614319 4    604417 4      C-13-H3C(O)CH3
  642922.2819  0.0059 -4.5840 3  658.6641888 -595161404551342 0    541441 0      C-13-H3C(O)CH3
  642922.2819  0.0059 -3.7329 3  658.6641888 -595161404551342 0    541341 0      C-13-H3C(O)CH3
  642922.2819  0.0059 -4.5840 3  658.6641888 -595161404551442 0    541341 0      C-13-H3C(O)CH3
  642922.2819  0.0059 -3.7329 3  658.6641888 -595161404551442 0    541441 0      C-13-H3C(O)CH3
  642942.1678  0.0109 -4.0967 3  658.6385888  595161404551342 1    541341 1      C-13-H3C(O)CH3
  642942.1678  0.0109 -3.8827 3  658.6385888  595161404551342 1    541441 1      C-13-H3C(O)CH3
  642942.1678  0.0109 -3.8827 3  658.6385888  595161404551442 1    541341 1      C-13-H3C(O)CH3
  642942.1678  0.0109 -4.0967 3  658.6385888  595161404551442 1    541441 1      C-13-H3C(O)CH3
  642943.2304  0.0109 -5.8202 3  658.6380888  595161404551342 2    541441 2      C-13-H3C(O)CH3
  642943.2304  0.0109 -3.6787 3  658.6380888  595161404551342 2    541341 2      C-13-H3C(O)CH3
  642943.2304  0.0109 -5.8202 3  658.6380888  595161404551442 2    541341 2      C-13-H3C(O)CH3
  642943.2304  0.0109 -3.6787 3  658.6380888  595161404551442 2    541441 2      C-13-H3C(O)CH3
  642963.2883  0.0092 -3.9894 3  658.6123444  595161404551442 3    541341 3      C-13-H3C(O)CH3
  642963.2883  0.0092 -5.5130 3  658.6123444  595161404551342 3    541341 3      C-13-H3C(O)CH3
  642963.2883  0.0092 -5.5130 3  658.6123444  595161404551442 3    541441 3      C-13-H3C(O)CH3
  642963.2883  0.0092 -3.9894 3  658.6123444  595161404551342 3    541441 3      C-13-H3C(O)CH3
  642963.2925  0.0092 -4.1404 3  658.6123444  595161404551442 4    541441 4      C-13-H3C(O)CH3
  642963.2925  0.0092 -4.4794 3  658.6123444  595161404551442 4    541341 4      C-13-H3C(O)CH3
  642963.2925  0.0092 -4.1404 3  658.6123444  595161404551342 4    541341 4      C-13-H3C(O)CH3
  642963.2925  0.0092 -4.4794 3  658.6123444  595161404551342 4    541441 4      C-13-H3C(O)CH3
  643063.0292  0.0574 -4.1529 3  545.6417728  595161404452619 2    442718 2      C-13-H3C(O)CH3
  643086.2266  0.2355 -5.9572 3 1523.2593E16  595161404881276 0    881177 0      C-13-H3C(O)CH3
  643086.2266  0.2355 -5.9572 3 1523.2593E16  595161404881376 0    881277 0      C-13-H3C(O)CH3
  643173.1156  0.0540 -4.4471 3  599.2191760  595161404472819 1    462918 1      C-13-H3C(O)CH3
  643195.3974  0.3797 -6.0936 3 1073.3588A16  595161404633628 0    623725 0      C-13-H3C(O)CH3
  643250.9358  0.2831 -5.9392 3 1523.2597E16  595161404881276 1    881177 1      C-13-H3C(O)CH3
  643250.9358  0.2831 -5.9392 3 1523.2597E16  595161404881376 1    881277 1      C-13-H3C(O)CH3
  643253.1264  0.2875 -5.9280 3 1523.2595E16  595161404881276 2    881277 2      C-13-H3C(O)CH3
  643253.1264  0.2875 -5.9280 3 1523.2595E16  595161404881376 2    881177 2      C-13-H3C(O)CH3
  643292.3868  0.0111 -5.2047 3  168.2369408  5951614042519 7 1    2416 9 1      C-13-H3C(O)CH3
  643296.7857  0.2772 -6.0458 3  866.7612452  595161404563621 4    553718 4      C-13-H3C(O)CH3
  643325.7981  0.0296 -4.1512 3  545.6444728  595161404452619 1    442718 1      C-13-H3C(O)CH3
  643338.7472  0.0044 -3.9184 3  703.2891508  59516140463 559 4    62 458 4      C-13-H3C(O)CH3
  643338.7472  0.0044 -5.2381 3  703.2891508  59516140463 459 4    62 458 4      C-13-H3C(O)CH3
  643338.7716  0.0044 -3.9470 3  703.2891508 -59516140463 459 3    62 558 3      C-13-H3C(O)CH3
  643338.7716  0.0044 -4.8706 3  703.2891508 -59516140463 559 3    62 558 3      C-13-H3C(O)CH3
  643338.7716  0.0044 -3.9184 3  703.2891508 -59516140463 459 4    62 558 4      C-13-H3C(O)CH3
  643338.7716  0.0044 -5.2381 3  703.2891508 -59516140463 559 4    62 558 4      C-13-H3C(O)CH3
  643338.7856  0.0044 -4.8706 3  703.2891508  59516140463 459 3    62 458 3      C-13-H3C(O)CH3
  643338.7856  0.0044 -3.9470 3  703.2891508  59516140463 559 3    62 458 3      C-13-H3C(O)CH3
  643363.8964  0.0064 -4.5524 3  703.3063A16  59516140463 559 1    62 558 1      C-13-H3C(O)CH3
  643363.8964  0.0064 -3.6480 3  703.3063A16  59516140463 459 1    62 558 1      C-13-H3C(O)CH3
  643364.0835  0.0064 -3.6480 3  703.3063A16 -59516140463 559 1    62 458 1      C-13-H3C(O)CH3
  643364.0835  0.0062 -5.3210 3  703.3060A16 -59516140463 559 2    62 558 2      C-13-H3C(O)CH3
  643364.0835  0.0062 -3.6053 3  703.3060A16 -59516140463 459 2    62 558 2      C-13-H3C(O)CH3
  643364.0835  0.0064 -4.5524 3  703.3063A16 -59516140463 459 1    62 458 1      C-13-H3C(O)CH3
  643364.0838  0.0062 -3.6053 3  703.3060A16  59516140463 559 2    62 458 2      C-13-H3C(O)CH3
  643364.0838  0.0062 -5.3210 3  703.3060A16  59516140463 459 2    62 458 2      C-13-H3C(O)CH3
  643389.0908  0.0045 -3.8677 3  703.3232A16 -59516140463 559 0    62 458 0      C-13-H3C(O)CH3
  643389.0908  0.0045 -3.9308 3  703.3232A16 -59516140463 459 0    62 458 0      C-13-H3C(O)CH3
  643389.1668  0.0045 -3.9308 3  703.3232A16  59516140463 559 0    62 558 0      C-13-H3C(O)CH3
  643389.1668  0.0045 -3.8677 3  703.3232A16  59516140463 459 0    62 558 0      C-13-H3C(O)CH3
  643401.0547  0.0159 -5.5999 3  168.2329204  5951614042519 7 3    2416 9 3      C-13-H3C(O)CH3
  643418.0335  0.1691 -6.2575 3 1523.2600708  595161404881276 3    881177 3      C-13-H3C(O)CH3
  643418.0335  0.1691 -6.2575 3 1523.2600708  595161404881376 3    881277 3      C-13-H3C(O)CH3
  643464.7990  0.1104 -5.9486 3 1140.7693A16  595161404634618 0    624715 0      C-13-H3C(O)CH3
  643464.8160  0.1104 -5.9486 3 1140.7693A16  595161404634617 0    624716 0      C-13-H3C(O)CH3
  643575.9717  0.1129 -5.9487 3 1140.8192A16  595161404634617 2    624715 2      C-13-H3C(O)CH3
  643582.3983  0.0355 -4.1496 3  545.6580728  595161404452619 0    442718 0      C-13-H3C(O)CH3
  643596.1900  0.1912 -5.8479 3 1470.4376E00  595161404871176 0    871177 0      C-13-H3C(O)CH3
  643596.1900  0.1912 -5.8479 3 1470.4376E00  595161404871276 0    871077 0      C-13-H3C(O)CH3
  643665.5785  0.1138 -5.9485 3 1140.8108A16  595161404634617 1    624715 1      C-13-H3C(O)CH3
  643668.9366  0.0628 -4.4445 3  599.2258760  595161404472819 0    462918 0      C-13-H3C(O)CH3
  643690.6376  0.0164 -5.5815 3  168.2329204  5951614042519 6 3    2416 9 3      C-13-H3C(O)CH3
  643691.8509  0.0119 -5.2348 3  168.2388408  5951614042519 7 2    2416 9 2      C-13-H3C(O)CH3
  643714.4866  0.1040 -5.9485 3 1140.7797A16  595161404634618 1    624716 1      C-13-H3C(O)CH3
  643750.1281  0.1239 -5.7772 3  976.5608476  595161404594020 4    584118 4      C-13-H3C(O)CH3
  643766.2834  0.1020 -5.9487 3 1140.7830A16  595161404634618 2    624716 2      C-13-H3C(O)CH3
  643766.5586  0.0093 -4.9152 3  134.0212212  59516140426 620 4    25 521 4      C-13-H3C(O)CH3
  643766.5586  0.0093 -4.9152 3  134.0212212  59516140426 720 4    25 421 4      C-13-H3C(O)CH3
  643766.5958  0.0075 -4.9144 3  134.0211212  59516140426 620 3    25 421 3      C-13-H3C(O)CH3
  643766.5958  0.0075 -4.9144 3  134.0211212  59516140426 720 3    25 521 3      C-13-H3C(O)CH3
  643777.2626  0.1298 -6.2496 3 1140.8608508  595161404634617 4    624715 4      C-13-H3C(O)CH3
  643780.6479  0.2199 -5.8446 3 1470.4307E00  595161404871276 1    871177 1      C-13-H3C(O)CH3
  643780.6479  0.2199 -5.8446 3 1470.4307E00  595161404871176 1    871077 1      C-13-H3C(O)CH3
  643780.9090  0.2243 -5.8702 3 1470.4305E00  595161404871276 2    871077 2      C-13-H3C(O)CH3
  643780.9090  0.2243 -5.8702 3 1470.4305E00  595161404871176 2    871177 2      C-13-H3C(O)CH3
  643825.7204  0.1253 -6.2496 3 1140.8297508  595161404634617 3    624715 3      C-13-H3C(O)CH3
  643875.2931  0.1257 -5.4777 3  976.5214952  595161404594020 2    584118 2      C-13-H3C(O)CH3
  643957.3366  0.0048 -3.5389 3  337.4273276  5951614043428 7 4    3327 7 4      C-13-H3C(O)CH3
  643960.4591  0.5093 -6.0875 3 1073.3451A16  595161404633628 2    623725 2      C-13-H3C(O)CH3
  643965.5552  0.1499 -6.1428 3 1470.4236700  595161404871176 3    871177 3      C-13-H3C(O)CH3
  643965.5552  0.1499 -6.1428 3 1470.4236700  595161404871276 3    871077 3      C-13-H3C(O)CH3
  643965.8208  0.1500 -6.1783 3 1470.4236700  595161404871276 4    871177 4      C-13-H3C(O)CH3
  643965.8208  0.1500 -6.1783 3 1470.4236700  595161404871176 4    871077 4      C-13-H3C(O)CH3
  643967.5897  0.1224 -6.2496 3 1140.8245508  595161404634618 3    624716 3      C-13-H3C(O)CH3
  643980.5022  0.0060 -3.9452 3  668.1850904  595161404561244 0    551343 0      C-13-H3C(O)CH3
  643980.5022  0.0060 -3.9993 3  668.1850904  595161404561244 0    551243 0      C-13-H3C(O)CH3
  643980.5022  0.0060 -3.9452 3  668.1850904  595161404561344 0    551243 0      C-13-H3C(O)CH3
  643980.5022  0.0060 -3.9993 3  668.1850904  595161404561344 0    551343 0      C-13-H3C(O)CH3
  643985.7160  0.0040 -3.2378 3  337.4569552 -5951614043428 7 1    3327 7 1      C-13-H3C(O)CH3
  643996.4885  0.0116 -5.3067 3  668.1579904 -595161404561344 1    551243 1      C-13-H3C(O)CH3
  643996.4885  0.0116 -3.6805 3  668.1579904 -595161404561244 1    551243 1      C-13-H3C(O)CH3
  643996.4885  0.0116 -3.6805 3  668.1579904 -595161404561344 1    551343 1      C-13-H3C(O)CH3
  643996.4885  0.0116 -5.3067 3  668.1579904 -595161404561244 1    551343 1      C-13-H3C(O)CH3
  643997.5536  0.0115 -5.6852 3  668.1575904 -595161404561244 2    551343 2      C-13-H3C(O)CH3
  643997.5536  0.0115 -5.6852 3  668.1575904 -595161404561344 2    551243 2      C-13-H3C(O)CH3
  643997.5536  0.0115 -3.6745 3  668.1575904 -595161404561244 2    551243 2      C-13-H3C(O)CH3
  643997.5536  0.0115 -3.6745 3  668.1575904 -595161404561344 2    551343 2      C-13-H3C(O)CH3
  644002.7006  0.0039 -3.2377 3  337.4748552  5951614043428 7 2    3327 6 2      C-13-H3C(O)CH3
  644011.3144  0.1319 -5.4794 3  976.5146952  595161404594020 1    584118 1      C-13-H3C(O)CH3
  644013.8396  0.0090 -4.8771 3  668.1303452  595161404561244 4    551343 4      C-13-H3C(O)CH3
  644013.8396  0.0090 -4.0289 3  668.1303452  595161404561344 4    551343 4      C-13-H3C(O)CH3
  644013.8396  0.0090 -4.0289 3  668.1303452  595161404561244 4    551243 4      C-13-H3C(O)CH3
  644013.8396  0.0090 -4.8771 3  668.1303452  595161404561344 4    551243 4      C-13-H3C(O)CH3
  644013.8446  0.0090 -3.9784 3  668.1304452  595161404561344 3    551343 3      C-13-H3C(O)CH3
  644013.8446  0.0090 -5.7586 3  668.1304452  595161404561244 3    551343 3      C-13-H3C(O)CH3
  644013.8446  0.0090 -3.9784 3  668.1304452  595161404561244 3    551243 3      C-13-H3C(O)CH3
  644013.8446  0.0090 -5.7586 3  668.1304452  595161404561344 3    551243 3      C-13-H3C(O)CH3
  644017.2255  0.1204 -6.2496 3 1140.7935508  595161404634618 4    624716 4      C-13-H3C(O)CH3
  644031.4905  0.0036 -3.2376 3  337.5042552 -5951614043428 6 0    3327 7 0      C-13-H3C(O)CH3
  644031.4905  0.0036 -3.2376 3  337.5042552 -5951614043428 7 0    3327 6 0      C-13-H3C(O)CH3
  644065.5424  0.3521 -6.0864 3 1073.3392A16  595161404633628 1    623725 1      C-13-H3C(O)CH3
  644079.2841  0.1136 -5.8099 3  976.5623476  595161404594020 3    584118 3      C-13-H3C(O)CH3
  644087.7715  0.0047 -3.5388 3  337.4269276  5951614043428 7 3    3327 7 3      C-13-H3C(O)CH3
  644107.2388  0.1472 -5.8514 3 1418.1917D84  595161404861176 0    861077 0      C-13-H3C(O)CH3
  644107.2388  0.1472 -5.8514 3 1418.1917D84  595161404861076 0    86 977 0      C-13-H3C(O)CH3
  644109.6051  0.1335 -5.4755 3  976.4753952  595161404594020 0    584117 0      C-13-H3C(O)CH3
  644117.3931  0.0149 -3.8946 3  494.0219696 -595161404432519 0    422418 0      C-13-H3C(O)CH3
  644128.0219  0.0061 -4.2935 3  229.8857244  595161404301714 4    291415 4      C-13-H3C(O)CH3
  644129.2619  0.0053 -4.2935 3  229.8857244  595161404301714 3    291415 3      C-13-H3C(O)CH3
  644132.7126  0.0038 -3.2376 3  337.4743552 -5951614043428 6 2    3327 7 2      C-13-H3C(O)CH3
  644152.1248  0.0046 -3.5386 3  337.4327276  5951614043428 6 3    3327 6 3      C-13-H3C(O)CH3
  644160.2359  0.0927 -5.8100 3  976.5637476  595161404594019 3    584117 3      C-13-H3C(O)CH3
  644173.7112  0.1338 -5.4754 3  976.4752952  595161404594019 0    584118 0      C-13-H3C(O)CH3
  644179.8637  0.0037 -3.2374 3  337.4621552 -5951614043428 6 1    3327 6 1      C-13-H3C(O)CH3
  644185.0476  0.0052 -3.9926 3  229.8989488  595161404301714 2    291415 2      C-13-H3C(O)CH3
  644188.6489  0.1999 -5.5507 3  866.7153904  595161404563621 2    553718 2      C-13-H3C(O)CH3
  644213.1551  0.0077 -6.2605 3  133.9920424  59516140426 620 2    25 421 2      C-13-H3C(O)CH3
  644213.1551  0.0077 -4.6215 3  133.9920424  59516140426 720 2    25 421 2      C-13-H3C(O)CH3
  644213.1551  0.0077 -4.6215 3  133.9920424  59516140426 620 2    25 521 2      C-13-H3C(O)CH3
  644213.1551  0.0077 -6.2606 3  133.9920424  59516140426 720 2    25 521 2      C-13-H3C(O)CH3
  644221.3361  0.0079 -6.1924 3  133.9926424  59516140426 720 1    25 521 1      C-13-H3C(O)CH3
  644221.3361  0.0079 -4.6733 3  133.9926424  59516140426 720 1    25 421 1      C-13-H3C(O)CH3
  644221.3361  0.0079 -4.6233 3  133.9926424  59516140426 620 1    25 521 1      C-13-H3C(O)CH3
  644221.3361  0.0079 -5.4907 3  133.9926424  59516140426 620 1    25 421 1      C-13-H3C(O)CH3
  644222.4298  0.0051 -3.9925 3  229.9032488  595161404301714 1    291415 1      C-13-H3C(O)CH3
  644237.8304  0.0143 -3.8946 3  493.9996696  595161404432519 1    422418 1      C-13-H3C(O)CH3
  644278.3683  0.0051 -3.9925 3  229.9163488  595161404301714 0    291415 0      C-13-H3C(O)CH3
  644281.6203  0.0051 -3.5385 3  337.4322276  5951614043428 6 4    3327 6 4      C-13-H3C(O)CH3
  644281.6385  0.1112 -5.4775 3  976.5244952  595161404594019 2    584117 2      C-13-H3C(O)CH3
  644299.8163  0.1621 -6.0529 3 1418.1771D84  595161404861076 2    861077 2      C-13-H3C(O)CH3
  644299.8163  0.1621 -6.0529 3 1418.1771D84  595161404861176 2    86 977 2      C-13-H3C(O)CH3
  644299.8163  0.1621 -6.0923 3 1418.1771D84  595161404861076 2    86 977 2      C-13-H3C(O)CH3
  644299.8163  0.1621 -6.0923 3 1418.1771D84  595161404861176 2    861077 2      C-13-H3C(O)CH3
  644300.8344  0.1595 -5.7812 3 1418.1773D84  595161404861076 1    861077 1      C-13-H3C(O)CH3
  644300.8344  0.1595 -5.7711 3 1418.1773D84  595161404861176 1    86 977 1      C-13-H3C(O)CH3
  644354.0480  0.1336 -5.4792 3  976.5162952  595161404594019 1    584117 1      C-13-H3C(O)CH3
  644397.3564  0.0118 -3.7403 3  389.3688616  595161404382415 1    372314 1      C-13-H3C(O)CH3
  644440.4352  0.1406 -5.5081 3  866.7055904  595161404563621 1    553718 1      C-13-H3C(O)CH3
  644447.3945  0.0195 -3.8947 3  493.9878696  595161404432519 2    422418 2      C-13-H3C(O)CH3
  644448.6318  0.0110 -3.7400 3  389.3868616  595161404382415 0    372314 0      C-13-H3C(O)CH3
  644457.8889  0.1527 -5.5656 3  866.7346452  595161404563621 3    553718 3      C-13-H3C(O)CH3
  644491.1853  0.1038 -5.7768 3  976.5654476  595161404594019 4    584117 4      C-13-H3C(O)CH3
  644492.9102  0.0040 -3.9508 3  707.9133516  59516140464 461 4    63 460 4      C-13-H3C(O)CH3
  644492.9102  0.0040 -4.7719 3  707.9133516  59516140464 361 4    63 460 4      C-13-H3C(O)CH3
  644492.9301  0.0040 -4.1390 3  707.9133516  59516140464 461 3    63 360 3      C-13-H3C(O)CH3
  644492.9301  0.0040 -4.2496 3  707.9133516  59516140464 361 3    63 360 3      C-13-H3C(O)CH3
  644492.9740  0.0040 -3.9508 3  707.9133516 -59516140464 361 4    63 360 4      C-13-H3C(O)CH3
  644492.9740  0.0040 -4.1390 3  707.9133516 -59516140464 361 3    63 460 3      C-13-H3C(O)CH3
  644492.9740  0.0040 -4.7719 3  707.9133516 -59516140464 461 4    63 360 4      C-13-H3C(O)CH3
  644492.9740  0.0040 -4.2496 3  707.9133516 -59516140464 461 3    63 460 3      C-13-H3C(O)CH3
  644493.5746  0.1319 -6.0935 3 1418.1627692  595161404861176 3    86 977 3      C-13-H3C(O)CH3
  644493.5746  0.1319 -6.1026 3 1418.1627692  595161404861076 3    861077 3      C-13-H3C(O)CH3
  644520.0638  0.0059 -5.5094 3  707.9201A32  59516140464 361 1    63 460 1      C-13-H3C(O)CH3
  644520.0638  0.0059 -3.5940 3  707.9201A32  59516140464 461 1    63 460 1      C-13-H3C(O)CH3
  644520.1322  0.0058 -3.8070 3  707.9197A32  59516140464 361 2    63 460 2      C-13-H3C(O)CH3
  644520.1322  0.0058 -3.9921 3  707.9197A32  59516140464 461 2    63 460 2      C-13-H3C(O)CH3
  644520.1495  0.0059 -3.5940 3  707.9201A32 -59516140464 361 1    63 360 1      C-13-H3C(O)CH3
  644520.1495  0.0058 -3.9921 3  707.9197A32 -59516140464 361 2    63 360 2      C-13-H3C(O)CH3
  644520.1495  0.0058 -3.8070 3  707.9197A32 -59516140464 461 2    63 360 2      C-13-H3C(O)CH3
  644520.1495  0.0059 -5.5094 3  707.9201A32 -59516140464 461 1    63 360 1      C-13-H3C(O)CH3
  644547.2261  0.0044 -4.7120 3  707.9264A32  59516140464 361 0    63 460 0      C-13-H3C(O)CH3
  644547.2261  0.0044 -4.7120 3  707.9264A32  59516140464 461 0    63 360 0      C-13-H3C(O)CH3
  644547.2261  0.0044 -3.6227 3  707.9264A32  59516140464 461 0    63 460 0      C-13-H3C(O)CH3
  644547.2261  0.0044 -3.6227 3  707.9264A32  59516140464 361 0    63 360 0      C-13-H3C(O)CH3
  644561.3232  0.0188 -4.1958 3  493.9656348  595161404432519 4    422418 4      C-13-H3C(O)CH3
  644572.0824  0.0196 -4.1957 3  493.9654348  595161404432519 3    422418 3      C-13-H3C(O)CH3
  644613.0860  0.0088 -4.9922 3  168.2465408  5951614042519 6 0    2416 9 0      C-13-H3C(O)CH3
  644625.2647  0.1102 -6.0155 3 1366.5218D68  595161404851076 0    85 877 0      C-13-H3C(O)CH3
  644625.2647  0.1102 -6.0155 3 1366.5218D68  59516140485 976 0    85 977 0      C-13-H3C(O)CH3
  644625.2647  0.1102 -6.0010 3 1366.5218D68  59516140485 976 0    85 877 0      C-13-H3C(O)CH3
  644625.2647  0.1102 -6.0010 3 1366.5218D68  595161404851076 0    85 977 0      C-13-H3C(O)CH3
  644630.5469  0.0052 -5.1002 3  352.4864292  595161404362413 4    352313 4      C-13-H3C(O)CH3
  644644.8577  0.0126 -5.5412 3  106.4323204  59516140425 422 3    24 223 3      C-13-H3C(O)CH3
  644644.8577  0.0126 -5.5412 3  106.4323204  59516140425 322 3    24 123 3      C-13-H3C(O)CH3
  644645.3756  0.0144 -5.9691 3  106.4323204  59516140425 322 4    24 223 4      C-13-H3C(O)CH3
  644645.3756  0.0144 -5.7383 3  106.4323204  59516140425 322 4    24 123 4      C-13-H3C(O)CH3
  644645.3756  0.0144 -5.9691 3  106.4323204  59516140425 422 4    24 123 4      C-13-H3C(O)CH3
  644645.3756  0.0144 -5.7383 3  106.4323204  59516140425 422 4    24 223 4      C-13-H3C(O)CH3
  644650.8183  0.0045 -4.8720 3  352.5089584  595161404362413 2    352313 2      C-13-H3C(O)CH3
  644654.8188  0.0144 -4.0409 3  389.3384308  595161404382415 4    372314 4      C-13-H3C(O)CH3
  644666.9322  0.0073 -4.6289 3  133.9635424  59516140426 620 0    25 521 0      C-13-H3C(O)CH3
  644666.9322  0.0073 -5.9994 3  133.9635424  59516140426 620 0    25 421 0      C-13-H3C(O)CH3
  644666.9322  0.0073 -5.9997 3  133.9635424  59516140426 720 0    25 521 0      C-13-H3C(O)CH3
  644666.9322  0.0073 -4.6289 3  133.9635424  59516140426 720 0    25 421 0      C-13-H3C(O)CH3
  644667.5055  0.0047 -5.2872 3  352.4864292  595161404362413 3    352313 3      C-13-H3C(O)CH3
  644668.3846  0.0172 -4.0401 3  389.3387308  595161404382415 3    372314 3      C-13-H3C(O)CH3
  644684.5880  0.0419 -6.2865 3  343.8305284  595161404352610 4    3425 9 4      C-13-H3C(O)CH3
  644696.7701  0.0348 -6.1287 3  343.8639568  595161404352610 2    3425 9 2      C-13-H3C(O)CH3
  644713.1043  0.0133 -5.3963 3  168.2369408  5951614042519 6 1    2416 9 1      C-13-H3C(O)CH3
  644716.3841  0.0138 -3.7392 3  389.3566616  595161404382415 2    372314 2      C-13-H3C(O)CH3
  644726.9052  0.1074 -6.2373 3  866.7256452  595161404563621 3    553719 3      C-13-H3C(O)CH3
  644811.5674  0.1188 -5.8017 3 1366.5000D68  59516140485 976 2    85 977 2      C-13-H3C(O)CH3
  644811.5674  0.1188 -5.8017 3 1366.5000D68  595161404851076 2    85 877 2      C-13-H3C(O)CH3
  644813.1001  0.1206 -6.1528 3 1366.5001D68  595161404851076 1    85 877 1      C-13-H3C(O)CH3
  644813.1001  0.1206 -6.1528 3 1366.5001D68  59516140485 976 1    85 977 1      C-13-H3C(O)CH3
  644813.1001  0.1206 -5.8993 3 1366.5001D68  59516140485 976 1    85 877 1      C-13-H3C(O)CH3
  644813.1001  0.1206 -5.8993 3 1366.5001D68  595161404851076 1    85 977 1      C-13-H3C(O)CH3
  644825.0904  0.0138 -5.3583 3  168.2388408  5951614042519 6 2    2416 9 2      C-13-H3C(O)CH3
  644866.2031  0.0050 -3.6517 3  343.8244284  595161404352610 4    342510 4      C-13-H3C(O)CH3
  644866.6494  0.0045 -3.3558 3  343.8472568  595161404352610 1    3425 9 1      C-13-H3C(O)CH3
  644880.8326  0.0101 -3.8782 3  515.3104712  595161404442520 0    432419 0      C-13-H3C(O)CH3
  644919.5083  0.0037 -3.3494 3  343.8789568 -595161404352610 0    3425 9 0      C-13-H3C(O)CH3
  644919.5083  0.0224 -5.2065 3  343.8455568 -595161404352610 1    342510 1      C-13-H3C(O)CH3
  644928.7587  0.0043 -3.3501 3  343.8561568 -595161404352610 2    342510 2      C-13-H3C(O)CH3
  644940.2414  0.0037 -3.3494 3  343.8784568 -5951614043526 9 0    342510 0      C-13-H3C(O)CH3
  644969.5467  0.0048 -3.6516 3  343.8321284  5951614043526 9 3    3425 9 3      C-13-H3C(O)CH3
  644972.0623  0.0097 -3.8783 3  515.2896712  595161404442520 1    432419 1      C-13-H3C(O)CH3
  644980.2578  0.0229 -5.2064 3  343.8472568  5951614043526 9 1    3425 9 1      C-13-H3C(O)CH3
  644997.7307  0.0800 -4.5985 3  572.1078372  595161404462719 3    452818 3      C-13-H3C(O)CH3
  644999.5262  0.1167 -6.1013 3 1366.4783684  59516140485 976 3    85 977 3      C-13-H3C(O)CH3
  644999.5262  0.1167 -6.0107 3 1366.4783684  595161404851076 3    85 877 3      C-13-H3C(O)CH3
  644999.7013  0.1167 -6.1412 3 1366.4783684  595161404851076 4    85 877 4      C-13-H3C(O)CH3
  644999.7013  0.1167 -6.1412 3 1366.4783684  59516140485 976 4    85 977 4      C-13-H3C(O)CH3
  645031.2180  0.0039 -3.3503 3  343.8639568 -5951614043526 9 2    3425 9 2      C-13-H3C(O)CH3
  645031.2180  0.0045 -3.6512 3  343.8227284 -595161404352610 3    342510 3      C-13-H3C(O)CH3
  645033.0912  0.0038 -3.3556 3  343.8455568 -5951614043526 9 1    342510 1      C-13-H3C(O)CH3
  645045.7161  0.0203 -5.7890 3  168.2256204  5951614042519 6 4    2416 9 4      C-13-H3C(O)CH3
  645058.2618  0.0061 -3.7357 3  677.1585920  595161404571146 0    561245 0      C-13-H3C(O)CH3
  645058.2618  0.0061 -4.4891 3  677.1585920  595161404571246 0    561245 0      C-13-H3C(O)CH3
  645058.2618  0.0061 -4.4891 3  677.1585920  595161404571146 0    561145 0      C-13-H3C(O)CH3
  645058.2618  0.0061 -3.7357 3  677.1585920  595161404571246 0    561145 0      C-13-H3C(O)CH3
  645063.3205  0.0782 -4.5994 3  572.1060372  595161404462719 4    452818 4      C-13-H3C(O)CH3
  645070.2034  0.0123 -4.2799 3  677.1300920  595161404571146 1    561245 1      C-13-H3C(O)CH3
  645070.2034  0.0123 -3.7858 3  677.1300920  595161404571146 1    561145 1      C-13-H3C(O)CH3
  645070.2034  0.0123 -4.2799 3  677.1300920  595161404571246 1    561145 1      C-13-H3C(O)CH3
  645070.2034  0.0123 -3.7858 3  677.1300920  595161404571246 1    561245 1      C-13-H3C(O)CH3
  645070.9286  0.0122 -3.6884 3  677.1297920  595161404571146 2    561145 2      C-13-H3C(O)CH3
  645070.9286  0.0122 -4.9464 3  677.1297920  595161404571146 2    561245 2      C-13-H3C(O)CH3
  645070.9286  0.0122 -4.9464 3  677.1297920  595161404571246 2    561145 2      C-13-H3C(O)CH3
  645070.9286  0.0122 -3.6884 3  677.1297920  595161404571246 2    561245 2      C-13-H3C(O)CH3
  645080.5821  0.0938 -5.1808 3  866.6623904  595161404563621 0    553718 0      C-13-H3C(O)CH3
  645082.8792  0.0087 -4.5814 3  677.1011460  595161404571146 4    561145 4      C-13-H3C(O)CH3
  645082.8792  0.0087 -4.0866 3  677.1011460  595161404571246 4    561145 4      C-13-H3C(O)CH3
  645082.8792  0.0087 -4.0866 3  677.1011460  595161404571146 4    561245 4      C-13-H3C(O)CH3
  645082.8792  0.0087 -4.5814 3  677.1011460  595161404571246 4    561245 4      C-13-H3C(O)CH3
  645082.8940  0.0087 -4.0098 3  677.1012460  595161404571246 3    561145 3      C-13-H3C(O)CH3
  645082.8940  0.0087 -4.9848 3  677.1012460  595161404571246 3    561245 3      C-13-H3C(O)CH3
  645082.8940  0.0087 -4.9848 3  677.1012460  595161404571146 3    561145 3      C-13-H3C(O)CH3
  645082.8940  0.0087 -4.0098 3  677.1012460  595161404571146 3    561245 3      C-13-H3C(O)CH3
  645084.5835  0.0117 -3.8785 3  515.2815712  595161404442520 2    432419 2      C-13-H3C(O)CH3
  645134.4063  0.0044 -3.6517 3  343.8305284  5951614043526 9 4    3425 9 4      C-13-H3C(O)CH3
  645157.1187  0.1172 -5.6196 3  866.6992452  595161404563621 4    553719 4      C-13-H3C(O)CH3
  645157.1535  0.0896 -5.6581 3 1315.4276D52  59516140484 876 0    84 877 0      C-13-H3C(O)CH3
  645157.1535  0.0896 -5.6581 3 1315.4276D52  59516140484 976 0    84 777 0      C-13-H3C(O)CH3
  645173.0106  0.0109 -4.1796 3  515.2606356  595161404442520 4    432419 4      C-13-H3C(O)CH3
  645178.5581  0.0115 -4.1796 3  515.2605356  595161404442520 3    432419 3      C-13-H3C(O)CH3
  645229.5386  0.0984 -5.4221 3  866.6806904  595161404563621 2    553719 2      C-13-H3C(O)CH3
  645246.2443  0.0136 -6.0520 3  134.9919188  5951614042316 8 4    221111 4      C-13-H3C(O)CH3
  645263.1541  0.0357 -6.1282 3  343.8561568  5951614043526 9 2    342510 2      C-13-H3C(O)CH3
  645278.1856  0.0162 -5.4301 3  106.3739408  59516140425 422 2    24 123 2      C-13-H3C(O)CH3
  645278.1856  0.0162 -5.6765 3  106.3739408  59516140425 422 2    24 223 2      C-13-H3C(O)CH3
  645278.1856  0.0162 -5.6765 3  106.3739408  59516140425 322 2    24 123 2      C-13-H3C(O)CH3
  645278.1856  0.0162 -5.4301 3  106.3739408  59516140425 322 2    24 223 2      C-13-H3C(O)CH3
  645280.8682  0.0166 -5.2405 3  106.3744408  59516140425 422 1    24 123 1      C-13-H3C(O)CH3
  645280.8682  0.0166 -5.2405 3  106.3744408  59516140425 322 1    24 223 1      C-13-H3C(O)CH3
  645290.2195  0.0953 -5.4568 3  866.6771904  595161404563621 1    553719 1      C-13-H3C(O)CH3
  645316.0214  0.0430 -6.2859 3  343.8244284  5951614043526 9 4    342510 4      C-13-H3C(O)CH3
  645318.0808  0.1190 -6.1450 3 1315.3997D52  59516140484 976 2    84 877 2      C-13-H3C(O)CH3
  645318.0808  0.1190 -6.1450 3 1315.3997D52  59516140484 876 2    84 777 2      C-13-H3C(O)CH3
  645318.0808  0.1190 -5.8160 3 1315.3997D52  59516140484 876 2    84 877 2      C-13-H3C(O)CH3
  645318.0808  0.1190 -5.8160 3 1315.3997D52  59516140484 976 2    84 777 2      C-13-H3C(O)CH3
  645319.3384  0.1244 -5.6506 3 1315.3998D52  59516140484 976 1    84 777 1      C-13-H3C(O)CH3
  645319.3384  0.1244 -5.6506 3 1315.3998D52  59516140484 876 1    84 877 1      C-13-H3C(O)CH3
  645411.7093  0.0821 -4.2958 3  572.1173744  595161404462719 2    452818 2      C-13-H3C(O)CH3
  645480.3411  0.1056 -5.9497 3 1315.3719676  59516140484 876 3    84 877 3      C-13-H3C(O)CH3
  645480.3411  0.1056 -5.9497 3 1315.3719676  59516140484 976 3    84 777 3      C-13-H3C(O)CH3
  645480.3920  0.1057 -5.9631 3 1315.3719676  59516140484 876 4    84 777 4      C-13-H3C(O)CH3
  645480.3920  0.1057 -5.9508 3 1315.3719676  59516140484 976 4    84 877 4      C-13-H3C(O)CH3
  645657.6086  0.0040 -5.3160 3  712.0060524  59516140465 363 3    64 262 3      C-13-H3C(O)CH3
  645657.6086  0.0040 -3.8971 3  712.0060524  59516140465 263 3    64 262 3      C-13-H3C(O)CH3
  645657.6113  0.0040 -3.9129 3  712.0061524  59516140465 363 4    64 362 4      C-13-H3C(O)CH3
  645657.6113  0.0040 -5.0299 3  712.0061524  59516140465 263 4    64 362 4      C-13-H3C(O)CH3
  645657.6653  0.0040 -3.9129 3  712.0061524 -59516140465 263 4    64 262 4      C-13-H3C(O)CH3
  645657.6653  0.0040 -5.0299 3  712.0061524 -59516140465 363 4    64 262 4      C-13-H3C(O)CH3
  645657.6653  0.0040 -3.8971 3  712.0060524 -59516140465 363 3    64 362 3      C-13-H3C(O)CH3
  645657.6653  0.0040 -5.3160 3  712.0060524 -59516140465 263 3    64 362 3      C-13-H3C(O)CH3
  645683.2591  0.0065 -4.8021 3  711.9968A48 -59516140465 363 2    64 262 2      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.8590 3  711.9972A48 -59516140465 263 1    64 262 1      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.9038 3  711.9972A48 -59516140465 263 1    64 362 1      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.6067 3  711.9968A48 -59516140465 263 2    64 262 2      C-13-H3C(O)CH3
  645683.2591  0.0065 -4.8021 3  711.9968A48 -59516140465 263 2    64 362 2      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.6067 3  711.9968A48 -59516140465 363 2    64 362 2      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.9038 3  711.9972A48 -59516140465 363 1    64 262 1      C-13-H3C(O)CH3
  645683.2591  0.0065 -3.8590 3  711.9972A48 -59516140465 363 1    64 362 1      C-13-H3C(O)CH3
  645708.8894  0.0046 -4.4094 3  711.9879A48  59516140465 363 0    64 362 0      C-13-H3C(O)CH3
  645708.8894  0.0046 -3.6494 3  711.9879A48  59516140465 263 0    64 362 0      C-13-H3C(O)CH3
  645708.9138  0.0046 -4.4094 3  711.9879A48 -59516140465 263 0    64 262 0      C-13-H3C(O)CH3
  645708.9138  0.0046 -3.6494 3  711.9879A48 -59516140465 363 0    64 262 0      C-13-H3C(O)CH3
  645710.8527  0.0898 -5.6108 3 1264.9089D36  59516140483 776 0    83 777 0      C-13-H3C(O)CH3
  645710.8527  0.0898 -5.6108 3 1264.9089D36  59516140483 876 0    83 677 0      C-13-H3C(O)CH3
  645750.3579  0.0416 -4.2939 3  572.1186744  595161404462719 1    452818 1      C-13-H3C(O)CH3
  645759.3102  0.0074 -3.6338 3  370.6191600  595161404372414 1    362313 1      C-13-H3C(O)CH3
  645812.7089  0.0132 -6.2196 3  513.2074728  595161404452025 0    451728 0      C-13-H3C(O)CH3
  645812.7658  0.0132 -6.2196 3  513.2074728  595161404452125 0    451828 0      C-13-H3C(O)CH3
  645813.7098  0.0068 -3.6332 3  370.6379600 -595161404372414 0    362313 0      C-13-H3C(O)CH3
  645821.4792  0.1515 -5.6469 3 1264.8768D36  59516140483 876 2    83 777 2      C-13-H3C(O)CH3
  645821.4792  0.1515 -5.6469 3 1264.8768D36  59516140483 776 2    83 677 2      C-13-H3C(O)CH3
  645821.7637  0.1566 -6.1674 3 1264.8769D36  59516140483 876 1    83 777 1      C-13-H3C(O)CH3
  645821.7637  0.1566 -5.7361 3 1264.8769D36  59516140483 876 1    83 677 1      C-13-H3C(O)CH3
  645821.7637  0.1566 -5.7361 3 1264.8769D36  59516140483 776 1    83 777 1      C-13-H3C(O)CH3
  645821.7637  0.1566 -6.1674 3 1264.8769D36  59516140483 776 1    83 677 1      C-13-H3C(O)CH3
  645825.1887  0.0053 -3.7854 3  568.6091760  595161404472225 0    462324 0      C-13-H3C(O)CH3
  645827.8690  0.0053 -3.7854 3  568.6090760 -595161404472325 0    462224 0      C-13-H3C(O)CH3
  645862.0730  0.0067 -3.7855 3  568.5915760 -595161404472225 1    462324 1      C-13-H3C(O)CH3
  645862.0730  0.0056 -3.7639 3  583.4022776 -595161404482127 0    472226 0      C-13-H3C(O)CH3
  645862.0730  0.0056 -3.7639 3  583.4022776 -595161404482227 0    472126 0      C-13-H3C(O)CH3
  645865.3762  0.0067 -3.7855 3  568.5915760  595161404472325 1    462224 1      C-13-H3C(O)CH3
  645873.1198  0.0073 -3.7855 3  568.5895760  595161404472225 2    462324 2      C-13-H3C(O)CH3
  645876.1010  0.0072 -3.7855 3  568.5894760  595161404472325 2    462224 2      C-13-H3C(O)CH3
  645879.4857  0.0079 -3.9390 3  370.5946300  595161404372414 4    362313 4      C-13-H3C(O)CH3
  645899.2151  0.0072 -3.7639 3  583.3846776  595161404482127 1    472226 1      C-13-H3C(O)CH3
  645899.2701  0.0072 -3.7639 3  583.3846776  595161404482227 1    472126 1      C-13-H3C(O)CH3
  645906.5907  0.0076 -3.7639 3  583.3831776  595161404482127 2    472226 2      C-13-H3C(O)CH3
  645906.6469  0.0076 -3.7639 3  583.3831776  595161404482227 2    472126 2      C-13-H3C(O)CH3
  645907.7126  0.0104 -3.9357 3  370.5948300  595161404372414 3    362313 3      C-13-H3C(O)CH3
  645910.4303  0.0081 -4.0865 3  568.5719380  595161404472225 3    462324 3      C-13-H3C(O)CH3
  645910.4798  0.0081 -4.0865 3  568.5718380  595161404472225 4    462324 4      C-13-H3C(O)CH3
  645912.7092  0.0155 -5.2357 3  106.3161408  59516140425 422 0    24 123 0      C-13-H3C(O)CH3
  645912.7092  0.0155 -5.2357 3  106.3161408  59516140425 322 0    24 223 0      C-13-H3C(O)CH3
  645913.6015  0.0081 -4.0865 3  568.5718380  595161404472325 3    462224 3      C-13-H3C(O)CH3
  645913.6367  0.0081 -4.0865 3  568.5718380  595161404472325 4    462224 4      C-13-H3C(O)CH3
  645913.7230  0.0164 -6.2198 3  513.1812728  595161404452025 2    451728 2      C-13-H3C(O)CH3
  645913.7865  0.0164 -6.2198 3  513.1812728  595161404452125 2    451828 2      C-13-H3C(O)CH3
  645929.5728  0.0144 -6.2180 3  513.1825728  595161404452025 1    451728 1      C-13-H3C(O)CH3
  645929.6343  0.0144 -6.2180 3  513.1825728  595161404452125 1    451828 1      C-13-H3C(O)CH3
  645932.2750  0.0985 -5.9610 3 1264.8448668  59516140483 776 4    83 677 4      C-13-H3C(O)CH3
  645932.2750  0.0985 -5.9610 3 1264.8448668  59516140483 876 4    83 777 4      C-13-H3C(O)CH3
  645932.4145  0.0984 -5.9946 3 1264.8448668  59516140483 776 3    83 777 3      C-13-H3C(O)CH3
  645932.4145  0.0984 -5.9946 3 1264.8448668  59516140483 876 3    83 677 3      C-13-H3C(O)CH3
  645943.9374  0.0086 -4.0649 3  583.3655388  595161404482127 3    472226 3      C-13-H3C(O)CH3
  645943.9872  0.0086 -4.0649 3  583.3654388  595161404482127 4    472226 4      C-13-H3C(O)CH3
  645943.9995  0.0086 -4.0649 3  583.3655388  595161404482227 3    472126 3      C-13-H3C(O)CH3
  645944.0488  0.0086 -4.0649 3  583.3654388  595161404482227 4    472126 4      C-13-H3C(O)CH3
  645949.3039  0.0077 -3.6357 3  370.6136600  595161404372414 2    362313 2      C-13-H3C(O)CH3
  646000.1629  0.0078 -5.9513 3  134.9917188  5951614042316 8 3    221111 3      C-13-H3C(O)CH3
  646002.2741  0.1746 -5.6383 3  833.8813444  595161404553520 4    543618 4      C-13-H3C(O)CH3
  646066.3213  0.0100 -5.7022 3  134.9856376  5951614042316 8 1    221111 1      C-13-H3C(O)CH3
  646133.5235  0.0495 -4.2918 3  572.1290744  595161404462719 0    452818 0      C-13-H3C(O)CH3
  646146.1837  0.2038 -5.6905 3  801.6832436  595161404543420 4    533518 4      C-13-H3C(O)CH3
  646152.0625  0.0062 -3.7115 3  685.5869936 -595161404581148 0    571147 0      C-13-H3C(O)CH3
  646152.0625  0.0062 -4.6098 3  685.5869936 -595161404581148 0    571047 0      C-13-H3C(O)CH3
  646152.0625  0.0062 -3.7115 3  685.5869936 -595161404581048 0    571047 0      C-13-H3C(O)CH3
  646152.0625  0.0062 -4.6098 3  685.5869936 -595161404581048 0    571147 0      C-13-H3C(O)CH3
  646159.3780  0.0128 -5.0779 3  685.5572936  595161404581048 1    571047 1      C-13-H3C(O)CH3
  646159.3780  0.0128 -3.6767 3  685.5572936  595161404581048 1    571147 1      C-13-H3C(O)CH3
  646159.3780  0.0128 -5.0779 3  685.5572936  595161404581148 1    571147 1      C-13-H3C(O)CH3
  646159.3780  0.0128 -3.6767 3  685.5572936  595161404581148 1    571047 1      C-13-H3C(O)CH3
  646159.9962  0.0127 -4.0418 3  685.5569936  595161404581048 2    571147 2      C-13-H3C(O)CH3
  646159.9962  0.0127 -3.8925 3  685.5569936  595161404581048 2    571047 2      C-13-H3C(O)CH3
  646159.9962  0.0127 -3.8925 3  685.5569936  595161404581148 2    571147 2      C-13-H3C(O)CH3
  646159.9962  0.0127 -4.0418 3  685.5569936  595161404581148 2    571047 2      C-13-H3C(O)CH3
  646167.1859  0.0084 -4.0282 3  685.5272468 -595161404581148 3    571047 3      C-13-H3C(O)CH3
  646167.1859  0.0084 -3.9622 3  685.5271468 -595161404581048 4    571147 4      C-13-H3C(O)CH3
  646167.1859  0.0084 -4.0282 3  685.5272468 -595161404581048 3    571147 3      C-13-H3C(O)CH3
  646167.1859  0.0084 -3.9622 3  685.5271468 -595161404581148 4    571047 4      C-13-H3C(O)CH3
  646167.1979  0.0084 -4.8026 3  685.5272468  595161404581148 3    571147 3      C-13-H3C(O)CH3
  646167.1979  0.0084 -4.8026 3  685.5272468  595161404581048 3    571047 3      C-13-H3C(O)CH3
  646262.3830  0.0059 -3.7481 3  597.5450792  595161404492029 0    482128 0      C-13-H3C(O)CH3
  646262.3836  0.0059 -3.7481 3  597.5450792  595161404492129 0    482028 0      C-13-H3C(O)CH3
  646295.4258  0.0996 -5.5613 3 1214.9649D20  59516140482 776 0    82 577 0      C-13-H3C(O)CH3
  646295.4258  0.0996 -5.5613 3 1214.9649D20  59516140482 676 0    82 677 0      C-13-H3C(O)CH3
  646299.1170  0.0077 -3.7481 3  597.5272792  595161404492029 1    482128 1      C-13-H3C(O)CH3
  646299.1178  0.0077 -3.7481 3  597.5272792  595161404492129 1    482028 1      C-13-H3C(O)CH3
  646304.4688  0.0081 -3.7481 3  597.5260792  595161404492029 2    482128 2      C-13-H3C(O)CH3
  646304.4696  0.0081 -3.7481 3  597.5260792  595161404492129 2    482028 2      C-13-H3C(O)CH3
  646322.9428  0.1867 -5.6118 3 1214.9319D20  59516140482 776 1    82 577 1      C-13-H3C(O)CH3
  646322.9428  0.1867 -5.6118 3 1214.9319D20  59516140482 676 1    82 677 1      C-13-H3C(O)CH3
  646324.0896  0.1836 -5.8096 3 1214.9317D20  59516140482 776 2    82 677 2      C-13-H3C(O)CH3
  646324.0896  0.1836 -5.8096 3 1214.9317D20  59516140482 676 2    82 577 2      C-13-H3C(O)CH3
  646324.0896  0.1836 -5.9185 3 1214.9317D20  59516140482 676 2    82 677 2      C-13-H3C(O)CH3
  646324.0896  0.1836 -5.9185 3 1214.9317D20  59516140482 776 2    82 577 2      C-13-H3C(O)CH3
  646341.2558  0.0091 -4.0491 3  597.5082396  595161404492029 3    482128 3      C-13-H3C(O)CH3
  646341.2567  0.0091 -4.0491 3  597.5082396  595161404492129 3    482028 3      C-13-H3C(O)CH3
  646341.3061  0.0091 -4.0491 3  597.5082396  595161404492029 4    482128 4      C-13-H3C(O)CH3
  646341.3070  0.0091 -4.0491 3  597.5082396  595161404492129 4    482028 4      C-13-H3C(O)CH3
  646351.1890  0.0934 -5.8630 3 1214.8986660  59516140482 776 4    82 577 4      C-13-H3C(O)CH3
  646351.1890  0.0934 -5.8630 3 1214.8986660  59516140482 676 4    82 677 4      C-13-H3C(O)CH3
  646351.5781  0.0933 -6.3024 3 1214.8987660  59516140482 676 3    82 677 3      C-13-H3C(O)CH3
  646351.5781  0.0933 -6.3024 3 1214.8987660  59516140482 776 3    82 577 3      C-13-H3C(O)CH3
  646351.5781  0.0933 -6.0553 3 1214.8987660  59516140482 776 3    82 677 3      C-13-H3C(O)CH3
  646351.5781  0.0933 -6.0553 3 1214.8987660  59516140482 676 3    82 577 3      C-13-H3C(O)CH3
  646408.5982  0.0051 -3.8170 3  553.1102744  595161404462323 0    452422 0      C-13-H3C(O)CH3
  646427.4555  0.0981 -6.1971 3 1228.6443A48  595161404654917 0    645014 0      C-13-H3C(O)CH3
  646427.4556  0.0981 -6.1971 3 1228.6443A48  595161404654916 0    645015 0      C-13-H3C(O)CH3
  646427.5565  0.0090 -5.6848 3  134.9809376  5951614042316 8 2    221111 2      C-13-H3C(O)CH3
  646443.6171  0.0063 -3.8171 3  553.0924744  595161404462323 1    452422 1      C-13-H3C(O)CH3
  646459.2344  0.0071 -3.8172 3  553.0894744  595161404462323 2    452422 2      C-13-H3C(O)CH3
  646494.1366  0.0078 -4.1183 3  553.0716372  595161404462323 3    452422 3      C-13-H3C(O)CH3
  646494.3072  0.0078 -4.1183 3  553.0716372  595161404462323 4    452422 4      C-13-H3C(O)CH3
  646516.0296  0.0051 -3.8169 3  553.1074744 -595161404462423 0    452322 0      C-13-H3C(O)CH3
  646555.0823  0.0063 -3.8169 3  553.0895744  595161404462423 1    452322 1      C-13-H3C(O)CH3
  646573.2069  0.0067 -3.8170 3  553.0864744  595161404462423 2    452322 2      C-13-H3C(O)CH3
  646575.1892  0.1170 -6.1971 3 1228.6382A48  595161404654917 1    645015 1      C-13-H3C(O)CH3
  646612.2569  0.0075 -4.1181 3  553.0685372  595161404462423 4    452322 4      C-13-H3C(O)CH3
  646612.3983  0.0075 -4.1181 3  553.0686372  595161404462423 3    452322 3      C-13-H3C(O)CH3
  646642.6933  0.1339 -6.1972 3 1228.6837A48  595161404654916 2    645014 2      C-13-H3C(O)CH3
  646671.5976  0.1192 -6.1970 3 1228.6764A48  595161404654916 1    645014 1      C-13-H3C(O)CH3
  646685.3844  0.1087 -6.1972 3 1228.6383A48  595161404654917 2    645015 2      C-13-H3C(O)CH3
  646697.2643  0.1705 -5.4657 3  833.8377888  595161404553520 2    543618 2      C-13-H3C(O)CH3
  646732.4244  0.0881 -5.8515 3 1165.5351652  59516140481 576 4    81 577 4      C-13-H3C(O)CH3
  646732.4244  0.0881 -5.8515 3 1165.5351652  59516140481 676 4    81 477 4      C-13-H3C(O)CH3
  646733.0823  0.0880 -5.8521 3 1165.5351652  59516140481 576 3    81 577 3      C-13-H3C(O)CH3
  646733.0823  0.0880 -5.8521 3 1165.5351652  59516140481 676 3    81 477 3      C-13-H3C(O)CH3
  646825.8229  0.1968 -5.5855 3 1165.5650D04  59516140481 576 1    81 477 1      C-13-H3C(O)CH3
  646825.8229  0.1968 -5.5855 3 1165.5650D04  59516140481 676 1    81 577 1      C-13-H3C(O)CH3
  646828.4415  0.1956 -5.9076 3 1165.5648D04  59516140481 576 2    81 477 2      C-13-H3C(O)CH3
  646828.4415  0.1956 -5.7716 3 1165.5648D04  59516140481 576 2    81 577 2      C-13-H3C(O)CH3
  646828.4415  0.1956 -5.7716 3 1165.5648D04  59516140481 676 2    81 477 2      C-13-H3C(O)CH3
  646828.4415  0.1956 -5.9076 3 1165.5648D04  59516140481 676 2    81 577 2      C-13-H3C(O)CH3
  646834.1518  0.0049 -3.8728 3  715.5693532  59516140466 265 3    65 264 3      C-13-H3C(O)CH3
  646834.1679  0.0049 -3.8770 3  715.5694532  59516140466 265 4    65 264 4      C-13-H3C(O)CH3
  646834.1679  0.0049 -5.7643 3  715.5694532  59516140466 165 4    65 264 4      C-13-H3C(O)CH3
  646834.1923  0.0049 -3.8770 3  715.5694532 -59516140466 165 4    65 164 4      C-13-H3C(O)CH3
  646834.1923  0.0049 -5.7643 3  715.5694532 -59516140466 265 4    65 164 4      C-13-H3C(O)CH3
  646834.1923  0.0049 -3.8728 3  715.5693532 -59516140466 165 3    65 164 3      C-13-H3C(O)CH3
  646852.7972  0.0070 -3.6513 3  715.5374A64 -59516140466 165 2    65 164 2      C-13-H3C(O)CH3
  646852.7972  0.0070 -4.3398 3  715.5374A64 -59516140466 265 2    65 164 2      C-13-H3C(O)CH3
  646852.7972  0.0070 -3.6242 3  715.5378A64 -59516140466 165 1    65 164 1      C-13-H3C(O)CH3
  646852.7972  0.0070 -4.5031 3  715.5378A64 -59516140466 265 1    65 164 1      C-13-H3C(O)CH3
  646852.8088  0.0070 -4.3398 3  715.5374A64  59516140466 165 2    65 264 2      C-13-H3C(O)CH3
  646852.8088  0.0070 -3.6513 3  715.5374A64  59516140466 265 2    65 264 2      C-13-H3C(O)CH3
  646852.8581  0.0070 -4.5031 3  715.5378A64  59516140466 165 1    65 264 1      C-13-H3C(O)CH3
  646852.8581  0.0070 -3.6242 3  715.5378A64  59516140466 265 1    65 264 1      C-13-H3C(O)CH3
  646867.9920  0.0039 -3.5369 3  352.5294584 -595161404362412 0    352313 0      C-13-H3C(O)CH3
  646871.3790  0.0050 -3.7807 3  715.5059A64 -59516140466 165 0    65 164 0      C-13-H3C(O)CH3
  646871.3790  0.0050 -3.9859 3  715.5059A64 -59516140466 265 0    65 164 0      C-13-H3C(O)CH3
  646871.3790  0.0050 -3.7807 3  715.5059A64 -59516140466 265 0    65 264 0      C-13-H3C(O)CH3
  646871.3790  0.0050 -3.9859 3  715.5059A64 -59516140466 165 0    65 264 0      C-13-H3C(O)CH3
  646882.8768  0.0061 -3.7361 3  611.0710808  595161404501931 0    492030 0      C-13-H3C(O)CH3
  646882.8768  0.0061 -3.7361 3  611.0710808  595161404502031 0    491930 0      C-13-H3C(O)CH3
  646885.6986  0.0040 -3.5376 3  352.5070584  595161404362412 1    352313 1      C-13-H3C(O)CH3
  646918.5991  0.0082 -3.7361 3  611.0527808  595161404502031 1    491930 1      C-13-H3C(O)CH3
  646918.5991  0.0082 -3.7361 3  611.0527808  595161404501931 1    492030 1      C-13-H3C(O)CH3
  646921.0849  0.1045 -5.5761 3 1165.5947D04  59516140481 576 0    81 477 0      C-13-H3C(O)CH3
  646921.0849  0.1045 -5.5761 3 1165.5947D04  59516140481 676 0    81 577 0      C-13-H3C(O)CH3
  646922.6115  0.0085 -3.7361 3  611.0518808  595161404501931 2    492030 2      C-13-H3C(O)CH3
  646922.6115  0.0085 -3.7361 3  611.0518808  595161404502031 2    491930 2      C-13-H3C(O)CH3
  646945.4220  0.1195 -5.5200 3  833.8276888  595161404553520 1    543618 1      C-13-H3C(O)CH3
  646958.3865  0.0095 -4.0371 3  611.0335404  595161404501931 3    492030 3      C-13-H3C(O)CH3
  646958.3865  0.0095 -4.0371 3  611.0335404  595161404502031 3    491930 3      C-13-H3C(O)CH3
  646958.4346  0.0095 -4.0371 3  611.0334404  595161404501931 4    492030 4      C-13-H3C(O)CH3
  646958.4346  0.0095 -4.0371 3  611.0334404  595161404502031 4    491930 4      C-13-H3C(O)CH3
  646963.9367  0.0080 -5.6458 3  134.9748376  5951614042316 8 0    221111 0      C-13-H3C(O)CH3
  646990.1070  0.0086 -3.8535 3  352.4864292  595161404362412 3    352313 3      C-13-H3C(O)CH3
  646991.9573  0.0085 -3.5569 3  352.5089584  595161404362412 2    352313 2      C-13-H3C(O)CH3
  647024.1193  0.0107 -3.8622 3  352.4864292  595161404362412 4    352313 4      C-13-H3C(O)CH3
  647040.2533  0.1895 -5.5791 3  801.6438872  595161404543420 2    533518 2      C-13-H3C(O)CH3
  647070.7431  0.0819 -5.9568 3 1116.7560644  59516140480 576 4    80 477 4      C-13-H3C(O)CH3
  647070.7431  0.0819 -5.9568 3 1116.7560644  59516140480 476 4    80 377 4      C-13-H3C(O)CH3
  647071.5896  0.0819 -5.8334 3 1116.7560644  59516140480 576 3    80 377 3      C-13-H3C(O)CH3
  647071.5896  0.0819 -5.8334 3 1116.7560644  59516140480 476 3    80 477 3      C-13-H3C(O)CH3
  647100.6005  0.1338 -5.4363 3  833.8366444  595161404553520 3    543619 3      C-13-H3C(O)CH3
  647212.3752  0.0069 -3.8715 3  536.8213728  595161404452421 0    442520 0      C-13-H3C(O)CH3
  647221.5393  0.0071 -3.8717 3  536.8035728  595161404452421 1    442520 1      C-13-H3C(O)CH3
  647227.2404  0.0100 -3.8719 3  536.7992728  595161404452421 2    442520 2      C-13-H3C(O)CH3
  647234.8754  0.0097 -4.1732 3  536.7814364  595161404452421 3    442520 3      C-13-H3C(O)CH3
  647237.0705  0.0099 -4.1732 3  536.7813364  595161404452421 4    442520 4      C-13-H3C(O)CH3
  647259.9583  0.0064 -3.7204 3  693.4720952  59516140459 950 0    58 949 0      C-13-H3C(O)CH3
  647259.9583  0.0064 -4.5049 3  693.4720952  595161404591050 0    58 949 0      C-13-H3C(O)CH3
  647259.9583  0.0064 -3.7204 3  693.4720952  595161404591050 0    581049 0      C-13-H3C(O)CH3
  647259.9583  0.0064 -4.5049 3  693.4720952  59516140459 950 0    581049 0      C-13-H3C(O)CH3
  647261.9330  0.0131 -3.9067 3  693.4415952  59516140459 950 1    58 949 1      C-13-H3C(O)CH3
  647261.9330  0.0131 -3.9067 3  693.4415952  595161404591050 1    581049 1      C-13-H3C(O)CH3
  647261.9330  0.0131 -4.0101 3  693.4415952  59516140459 950 1    581049 1      C-13-H3C(O)CH3
  647261.9330  0.0131 -4.0101 3  693.4415952  595161404591050 1    58 949 1      C-13-H3C(O)CH3
  647262.4722  0.0130 -4.0108 3  693.4412952  59516140459 950 2    58 949 2      C-13-H3C(O)CH3
  647262.4722  0.0130 -3.9062 3  693.4412952  59516140459 950 2    581049 2      C-13-H3C(O)CH3
  647262.4722  0.0130 -3.9062 3  693.4412952  595161404591050 2    58 949 2      C-13-H3C(O)CH3
  647262.4722  0.0130 -4.0108 3  693.4412952  595161404591050 2    581049 2      C-13-H3C(O)CH3
  647264.4257  0.0080 -5.0139 3  693.4106476  59516140459 950 4    581049 4      C-13-H3C(O)CH3
  647264.4257  0.0080 -3.9950 3  693.4106476  59516140459 950 4    58 949 4      C-13-H3C(O)CH3
  647264.4257  0.0080 -5.0139 3  693.4106476  595161404591050 4    58 949 4      C-13-H3C(O)CH3
  647264.4257  0.0080 -3.9950 3  693.4106476  595161404591050 4    581049 4      C-13-H3C(O)CH3
  647264.4601  0.0080 -4.2405 3  693.4106476  59516140459 950 3    581049 3      C-13-H3C(O)CH3
  647264.4601  0.0080 -4.2727 3  693.4106476  59516140459 950 3    58 949 3      C-13-H3C(O)CH3
  647264.4601  0.0080 -4.2727 3  693.4106476  595161404591050 3    581049 3      C-13-H3C(O)CH3
  647264.4601  0.0080 -4.2405 3  693.4106476  595161404591050 3    58 949 3      C-13-H3C(O)CH3
  647329.8767  0.1167 -5.6769 3  801.6341872  595161404543420 1    533518 1      C-13-H3C(O)CH3
  647333.7575  0.1772 -5.5275 3 1116.7767C88  59516140480 576 1    80 477 1      C-13-H3C(O)CH3
  647333.7575  0.1772 -5.5275 3 1116.7767C88  59516140480 476 1    80 377 1      C-13-H3C(O)CH3
  647337.2591  0.1770 -5.7263 3 1116.7763C88  59516140480 476 2    80 377 2      C-13-H3C(O)CH3
  647337.2591  0.1770 -5.9580 3 1116.7763C88  59516140480 476 2    80 477 2      C-13-H3C(O)CH3
  647337.2591  0.1770 -5.9771 3 1116.7763C88  59516140480 576 2    80 377 2      C-13-H3C(O)CH3
  647337.2591  0.1770 -5.7155 3 1116.7763C88  59516140480 576 2    80 477 2      C-13-H3C(O)CH3
  647355.1310  0.0276 -6.2231 3  710.4030840  595161404522626 0    522329 0      C-13-H3C(O)CH3
  647360.4273  0.0803 -6.2565 3 1068.5634636  59516140479 376 4    79 277 4      C-13-H3C(O)CH3
  647360.4273  0.0803 -6.2565 3 1068.5634636  59516140479 476 4    79 377 4      C-13-H3C(O)CH3
  647360.4273  0.0803 -6.0653 3 1068.5634636  59516140479 476 4    79 277 4      C-13-H3C(O)CH3
  647360.4273  0.0803 -6.0653 3 1068.5634636  59516140479 376 4    79 377 4      C-13-H3C(O)CH3
  647361.1829  0.0802 -6.0418 3 1068.5633636  59516140479 376 3    79 377 3      C-13-H3C(O)CH3
  647361.1829  0.0802 -6.2958 3 1068.5633636  59516140479 476 3    79 377 3      C-13-H3C(O)CH3
  647361.1829  0.0802 -6.2958 3 1068.5633636  59516140479 376 3    79 277 3      C-13-H3C(O)CH3
  647361.1829  0.0802 -6.0418 3 1068.5633636  59516140479 476 3    79 277 3      C-13-H3C(O)CH3
  647363.5674  0.0276 -6.2231 3  710.4030840  595161404522726 0    522429 0      C-13-H3C(O)CH3
  647434.7931  0.0419 -6.2230 3  710.3948840  595161404522626 2    522329 2      C-13-H3C(O)CH3
  647443.3105  0.0306 -6.2222 3  710.3954840  595161404522626 1    522329 1      C-13-H3C(O)CH3
  647443.9259  0.0418 -6.2230 3  710.3948840  595161404522726 2    522429 2      C-13-H3C(O)CH3
  647452.3924  0.0306 -6.2222 3  710.3954840  595161404522726 1    522429 1      C-13-H3C(O)CH3
  647595.3664  0.0989 -6.0093 3 1020.9593628  59516140478 276 4    78 177 4      C-13-H3C(O)CH3
  647595.3664  0.0989 -6.0093 3 1020.9593628  59516140478 376 4    78 277 4      C-13-H3C(O)CH3
  647595.3930  0.0986 -5.9764 3 1020.9592628  59516140478 376 3    78 177 3      C-13-H3C(O)CH3
  647595.3930  0.0986 -5.9764 3 1020.9592628  59516140478 276 3    78 277 3      C-13-H3C(O)CH3
  647599.1972  0.0965 -5.6378 3 1116.7970C88  59516140480 476 0    80 377 0      C-13-H3C(O)CH3
  647599.1972  0.0965 -5.6378 3 1116.7970C88  59516140480 576 0    80 477 0      C-13-H3C(O)CH3
  647599.1972  0.0965 -6.1677 3 1116.7970C88  59516140480 576 0    80 377 0      C-13-H3C(O)CH3
  647599.1972  0.0965 -6.1677 3 1116.7970C88  59516140480 476 0    80 477 0      C-13-H3C(O)CH3
  647645.1321  0.0062 -3.7276 3  624.0014824  595161404511933 0    501832 0      C-13-H3C(O)CH3
  647645.1321  0.0062 -3.7271 3  624.0014824  595161404511833 0    501932 0      C-13-H3C(O)CH3
  647645.1321  0.0062 -5.9201 3  624.0014824  595161404511933 0    501932 0      C-13-H3C(O)CH3
  647679.4460  0.0087 -6.2418 3  623.9825824  595161404511833 1    501832 1      C-13-H3C(O)CH3
  647679.4460  0.0087 -3.7280 3  623.9825824  595161404511833 1    501932 1      C-13-H3C(O)CH3
  647679.4460  0.0087 -3.7279 3  623.9825824  595161404511933 1    501832 1      C-13-H3C(O)CH3
  647679.4460  0.0087 -6.2322 3  623.9825824  595161404511933 1    501932 1      C-13-H3C(O)CH3
  647682.5221  0.0089 -6.1121 3  623.9817824  595161404511933 2    501932 2      C-13-H3C(O)CH3
  647682.5221  0.0089 -3.7284 3  623.9817824  595161404511833 2    501932 2      C-13-H3C(O)CH3
  647682.5221  0.0089 -3.7296 3  623.9817824  595161404511933 2    501832 2      C-13-H3C(O)CH3
  647682.5221  0.0089 -5.8911 3  623.9817824  595161404511833 2    501832 2      C-13-H3C(O)CH3
  647716.8870  0.0098 -4.0357 3  623.9628412  595161404511933 3    501832 3      C-13-H3C(O)CH3
  647716.8870  0.0098 -5.7159 3  623.9628412  595161404511933 3    501932 3      C-13-H3C(O)CH3
  647716.8870  0.0098 -5.7589 3  623.9628412  595161404511833 3    501832 3      C-13-H3C(O)CH3
  647716.8870  0.0098 -4.0366 3  623.9628412  595161404511833 3    501932 3      C-13-H3C(O)CH3
  647716.9312  0.0098 -6.2722 3  623.9627412  595161404511933 4    501932 4      C-13-H3C(O)CH3
  647716.9312  0.0098 -4.0299 3  623.9627412  595161404511933 4    501832 4      C-13-H3C(O)CH3
  647716.9312  0.0098 -4.0301 3  623.9627412  595161404511833 4    501932 4      C-13-H3C(O)CH3
  647716.9312  0.0098 -6.2954 3  623.9627412  595161404511833 4    501832 4      C-13-H3C(O)CH3
  647745.4921  0.1523 -5.3382 3  801.6249436  595161404543420 3    533519 3      C-13-H3C(O)CH3
  647767.2503  0.1515 -6.1482 3  973.9461620  59516140477 176 3    77 077 3      C-13-H3C(O)CH3
  647767.2503  0.1515 -6.1482 3  973.9461620  59516140477 276 3    77 177 3      C-13-H3C(O)CH3
  647769.1933  0.1511 -6.2212 3  973.9461620  59516140477 276 4    77 077 4      C-13-H3C(O)CH3
  647769.1933  0.1511 -6.2212 3  973.9461620  59516140477 176 4    77 177 4      C-13-H3C(O)CH3
  647850.5267  0.1326 -6.0634 3 1068.5669C72  59516140479 376 1    79 277 1      C-13-H3C(O)CH3
  647850.5267  0.1326 -5.7056 3 1068.5669C72  59516140479 476 1    79 277 1      C-13-H3C(O)CH3
  647850.5267  0.1326 -6.0634 3 1068.5669C72  59516140479 476 1    79 377 1      C-13-H3C(O)CH3
  647850.5267  0.1326 -5.7056 3 1068.5669C72  59516140479 376 1    79 377 1      C-13-H3C(O)CH3
  647853.4501  0.1317 -6.2775 3 1068.5665C72  59516140479 376 2    79 277 2      C-13-H3C(O)CH3
  647853.4501  0.1317 -6.2775 3 1068.5665C72  59516140479 476 2    79 377 2      C-13-H3C(O)CH3
  647853.4501  0.1317 -5.6371 3 1068.5665C72  59516140479 376 2    79 377 2      C-13-H3C(O)CH3
  647853.4501  0.1317 -5.6371 3 1068.5665C72  59516140479 476 2    79 277 2      C-13-H3C(O)CH3
  647970.1840  0.1073 -5.3454 3  833.7953888  595161404553520 2    543619 2      C-13-H3C(O)CH3
  647984.7728  0.1424 -5.6152 3  866.7612452  595161404563620 4    553718 4      C-13-H3C(O)CH3
  647997.5787  0.1074 -5.3083 3  833.7925888  595161404553520 1    543619 1      C-13-H3C(O)CH3
  648024.5245  0.0080 -5.0897 3  718.6056540  59516140467 067 4    66 166 4      C-13-H3C(O)CH3
  648024.5245  0.0080 -3.8878 3  718.6056540  59516140467 167 4    66 166 4      C-13-H3C(O)CH3
  648024.5406  0.0080 -3.8989 3  718.6056540  59516140467 067 3    66 166 3      C-13-H3C(O)CH3
  648024.5406  0.0080 -4.9434 3  718.6056540  59516140467 167 3    66 166 3      C-13-H3C(O)CH3
  648024.8244  0.0080 -3.8989 3  718.6056540 -59516140467 167 3    66 066 3      C-13-H3C(O)CH3
  648024.8244  0.0080 -4.9434 3  718.6056540 -59516140467 067 3    66 066 3      C-13-H3C(O)CH3
  648024.8244  0.0080 -3.8878 3  718.6056540 -59516140467 067 4    66 066 4      C-13-H3C(O)CH3
  648024.8244  0.0080 -5.0897 3  718.6056540 -59516140467 167 4    66 066 4      C-13-H3C(O)CH3
  648027.8992  0.0133 -4.3231 3  718.5415A80 -59516140467 067 2    66 166 2      C-13-H3C(O)CH3
  648027.8992  0.0133 -3.6425 3  718.5415A80 -59516140467 067 2    66 066 2      C-13-H3C(O)CH3
  648027.8992  0.0132 -4.8295 3  718.5418A80 -59516140467 067 1    66 066 1      C-13-H3C(O)CH3
  648027.8992  0.0132 -3.5842 3  718.5418A80 -59516140467 067 1    66 166 1      C-13-H3C(O)CH3
  648027.8992  0.0133 -3.6425 3  718.5415A80 -59516140467 167 2    66 166 2      C-13-H3C(O)CH3
  648027.8992  0.0132 -4.7149 3  718.5418A80 -59516140467 167 1    66 166 1      C-13-H3C(O)CH3
  648027.8992  0.0132 -3.5917 3  718.5418A80 -59516140467 167 1    66 066 1      C-13-H3C(O)CH3
  648027.8992  0.0133 -4.3231 3  718.5415A80 -59516140467 167 2    66 066 2      C-13-H3C(O)CH3
  648031.2027  0.0094 -4.7598 3  718.4778A80  59516140467 067 0    66 066 0      C-13-H3C(O)CH3
  648031.2027  0.0094 -4.7598 3  718.4778A80  59516140467 167 0    66 166 0      C-13-H3C(O)CH3
  648031.2810  0.0094 -3.5884 3  718.4778A80 -59516140467 167 0    66 066 0      C-13-H3C(O)CH3
  648031.2810  0.0094 -3.5884 3  718.4778A80 -59516140467 067 0    66 166 0      C-13-H3C(O)CH3
  648031.5059  0.1012 -5.1002 3  833.7752888  595161404553520 0    543619 0      C-13-H3C(O)CH3
  648211.9429  0.1228 -5.7783 3  833.8076444  595161404553520 4    543619 4      C-13-H3C(O)CH3
  648342.2547  0.0816 -5.7864 3 1068.5701C72  59516140479 376 0    79 377 0      C-13-H3C(O)CH3
  648342.2547  0.0816 -5.7864 3 1068.5701C72  59516140479 476 0    79 277 0      C-13-H3C(O)CH3
  648342.2547  0.0816 -5.9194 3 1068.5701C72  59516140479 476 0    79 377 0      C-13-H3C(O)CH3
  648342.2547  0.0816 -5.9194 3 1068.5701C72  59516140479 376 0    79 277 0      C-13-H3C(O)CH3
  648353.7573  0.0060 -4.4783 3  182.3762228  595161404281117 4    271018 4      C-13-H3C(O)CH3
  648353.9683  0.0060 -4.4783 3  182.3762228  595161404281217 4    27 918 4      C-13-H3C(O)CH3
  648354.0022  0.0047 -4.4783 3  182.3762228  595161404281117 3    271018 3      C-13-H3C(O)CH3
  648354.2145  0.0047 -4.4783 3  182.3762228  595161404281217 3    27 918 3      C-13-H3C(O)CH3
  648373.0301  0.0075 -3.9507 3  700.7533484  59516140460 852 4    59 851 4      C-13-H3C(O)CH3
  648373.0301  0.0075 -3.9507 3  700.7533484  59516140460 952 4    59 951 4      C-13-H3C(O)CH3
  648373.0731  0.0075 -5.1603 3  700.7533484  59516140460 952 3    59 951 3      C-13-H3C(O)CH3
  648373.0731  0.0075 -3.9771 3  700.7533484  59516140460 952 3    59 851 3      C-13-H3C(O)CH3
  648373.0731  0.0075 -5.1603 3  700.7533484  59516140460 852 3    59 851 3      C-13-H3C(O)CH3
  648373.0731  0.0075 -3.9771 3  700.7533484  59516140460 852 3    59 951 3      C-13-H3C(O)CH3
  648376.1948  0.0130 -4.8450 3  700.7844968  59516140460 852 1    59 951 1      C-13-H3C(O)CH3
  648376.1948  0.0130 -4.8450 3  700.7844968  59516140460 952 1    59 851 1      C-13-H3C(O)CH3
  648376.1948  0.0130 -3.6771 3  700.7844968  59516140460 952 1    59 951 1      C-13-H3C(O)CH3
  648376.1948  0.0130 -3.6771 3  700.7844968  59516140460 852 1    59 851 1      C-13-H3C(O)CH3
  648376.6730  0.0128 -3.6908 3  700.7841968  59516140460 852 2    59 851 2      C-13-H3C(O)CH3
  648376.6730  0.0128 -4.6818 3  700.7841968  59516140460 852 2    59 951 2      C-13-H3C(O)CH3
  648376.6730  0.0128 -3.6908 3  700.7841968  59516140460 952 2    59 951 2      C-13-H3C(O)CH3
  648376.6730  0.0128 -4.6818 3  700.7841968  59516140460 952 2    59 851 2      C-13-H3C(O)CH3
  648379.8020  0.0064 -3.6515 3  700.8152968  59516140460 952 0    59 851 0      C-13-H3C(O)CH3
  648379.8020  0.0064 -5.8251 3  700.8152968  59516140460 952 0    59 951 0      C-13-H3C(O)CH3
  648379.8020  0.0064 -3.6515 3  700.8152968  59516140460 852 0    59 951 0      C-13-H3C(O)CH3
  648379.8020  0.0064 -5.8251 3  700.8152968  59516140460 852 0    59 851 0      C-13-H3C(O)CH3
  648380.0911  0.1440 -6.3056 3 1020.9354C56  59516140478 276 2    78 277 2      C-13-H3C(O)CH3
  648380.0911  0.1440 -5.7223 3 1020.9354C56  59516140478 376 2    78 277 2      C-13-H3C(O)CH3
  648380.0911  0.1440 -5.7223 3 1020.9354C56  59516140478 276 2    78 177 2      C-13-H3C(O)CH3
  648380.0911  0.1440 -6.3056 3 1020.9354C56  59516140478 376 2    78 177 2      C-13-H3C(O)CH3
  648380.3540  0.1444 -5.8509 3 1020.9359C56  59516140478 276 1    78 277 1      C-13-H3C(O)CH3
  648380.3540  0.1444 -6.0088 3 1020.9359C56  59516140478 376 1    78 277 1      C-13-H3C(O)CH3
  648380.3540  0.1444 -5.8509 3 1020.9359C56  59516140478 376 1    78 177 1      C-13-H3C(O)CH3
  648380.3540  0.1444 -6.0088 3 1020.9359C56  59516140478 276 1    78 177 1      C-13-H3C(O)CH3
  648414.3934  0.1631 -6.2314 3  866.7346452  595161404563620 3    553718 3      C-13-H3C(O)CH3
  648436.3430  0.1483 -5.4170 3  866.7153904  595161404563620 2    553718 2      C-13-H3C(O)CH3
  648503.2869  0.0064 -4.8101 3  636.3509840  595161404521735 0    511834 0      C-13-H3C(O)CH3
  648503.2869  0.0064 -3.7556 3  636.3509840  595161404521735 0    511734 0      C-13-H3C(O)CH3
  648503.2869  0.0064 -4.8101 3  636.3509840  595161404521835 0    511734 0      C-13-H3C(O)CH3
  648503.2869  0.0064 -3.7556 3  636.3509840  595161404521835 0    511834 0      C-13-H3C(O)CH3
  648509.3972  0.0048 -3.1329 3  338.8994536 -5951614043331 3 2    3230 3 2      C-13-H3C(O)CH3
  648526.5511  0.0067 -3.4338 3  338.8281268  5951614043331 3 4    3230 3 4      C-13-H3C(O)CH3
  648535.8222  0.0093 -5.2321 3  636.3311840  595161404521835 1    511834 1      C-13-H3C(O)CH3
  648535.8222  0.0093 -4.4482 3  636.3311840  595161404521735 1    511734 1      C-13-H3C(O)CH3
  648535.8222  0.0093 -3.8085 3  636.3311840  595161404521735 1    511834 1      C-13-H3C(O)CH3
  648535.8222  0.0093 -3.7324 3  636.3311840  595161404521835 1    511734 1      C-13-H3C(O)CH3
  648538.2175  0.0094 -3.7203 3  636.3305840  595161404521835 2    511834 2      C-13-H3C(O)CH3
  648538.2175  0.0094 -6.1986 3  636.3305840  595161404521835 2    511734 2      C-13-H3C(O)CH3
  648538.2175  0.0094 -6.1986 3  636.3305840  595161404521735 2    511834 2      C-13-H3C(O)CH3
  648538.2175  0.0094 -3.7203 3  636.3305840  595161404521735 2    511734 2      C-13-H3C(O)CH3
  648550.4219  0.0047 -3.1329 3  338.9570536 -5951614043331 3 0    3230 2 0      C-13-H3C(O)CH3
  648550.4219  0.0047 -3.1329 3  338.9570536 -5951614043331 2 0    3230 3 0      C-13-H3C(O)CH3
  648566.9176  0.0051 -3.1328 3  338.8857536 -5951614043331 3 1    3230 3 1      C-13-H3C(O)CH3
  648570.8012  0.0101 -4.0200 3  636.3106420  595161404521835 3    511834 3      C-13-H3C(O)CH3
  648570.8012  0.0101 -4.0200 3  636.3106420  595161404521735 3    511734 3      C-13-H3C(O)CH3
  648570.8403  0.0100 -4.0554 3  636.3106420  595161404521835 4    511734 4      C-13-H3C(O)CH3
  648570.8403  0.0100 -5.1242 3  636.3106420  595161404521735 4    511734 4      C-13-H3C(O)CH3
  648570.8403  0.0100 -4.1492 3  636.3106420  595161404521835 4    511834 4      C-13-H3C(O)CH3
  648570.8403  0.0100 -4.6092 3  636.3106420  595161404521735 4    511834 4      C-13-H3C(O)CH3
  648572.0174  0.0044 -4.1769 3  182.3770456  595161404281117 2    271018 2      C-13-H3C(O)CH3
  648572.2343  0.0044 -4.1769 3  182.3770456  595161404281217 2    27 918 2      C-13-H3C(O)CH3
  648593.0698  0.0045 -4.1770 3  182.3786456  595161404281117 1    271018 1      C-13-H3C(O)CH3
  648593.2756  0.0045 -4.1770 3  182.3786456  595161404281217 1    27 918 1      C-13-H3C(O)CH3
  648639.7398  0.1240 -5.4513 3  866.7055904  595161404563620 1    553718 1      C-13-H3C(O)CH3
  648658.8817  0.1199 -5.1667 3  801.5898872  595161404543420 2    533519 2      C-13-H3C(O)CH3
  648683.4097  0.1280 -5.5583 3  866.7256452  595161404563620 3    553719 3      C-13-H3C(O)CH3
  648705.5575  0.0048 -3.1326 3  338.9083536 -5951614043331 2 2    3230 2 2      C-13-H3C(O)CH3
  648722.0673  0.0066 -3.4335 3  338.8370268  5951614043331 3 3    3230 3 3      C-13-H3C(O)CH3
  648722.3110  0.1004 -5.1340 3  801.5876872  595161404543420 1    533519 1      C-13-H3C(O)CH3
  648739.6388  0.1173 -5.5718 3  801.5967436  595161404543420 4    533519 4      C-13-H3C(O)CH3
  648743.0630  0.0064 -3.4335 3  338.8596268  5951614043331 2 3    3230 2 3      C-13-H3C(O)CH3
  648784.0603  0.0049 -3.1325 3  338.9172536 -5951614043331 2 1    3230 2 1      C-13-H3C(O)CH3
  648810.6613  0.0046 -4.1765 3  182.3794456  595161404281117 0    271018 0      C-13-H3C(O)CH3
  648810.8718  0.0046 -4.1765 3  182.3794456  595161404281217 0    27 918 0      C-13-H3C(O)CH3
  648822.9472  0.2193 -5.8082 3  770.1741428  595161404533320 4    523418 4      C-13-H3C(O)CH3
  648829.1875  0.0692 -5.4485 3  823.2363444  595161404553323 4    543420 4      C-13-H3C(O)CH3
  648920.4091  0.3164 -5.8997 3  973.8832C40  59516140477 176 2    77 077 2      C-13-H3C(O)CH3
  648920.4091  0.3164 -5.8997 3  973.8832C40  59516140477 276 2    77 177 2      C-13-H3C(O)CH3
  648927.9166  0.3113 -5.8795 3  973.8834C40  59516140477 276 1    77 177 1      C-13-H3C(O)CH3
  648927.9166  0.3113 -5.9006 3  973.8834C40  59516140477 176 1    77 077 1      C-13-H3C(O)CH3
  648938.4786  0.0068 -3.4332 3  338.8685268  5951614043331 2 4    3230 2 4      C-13-H3C(O)CH3
  648942.3028  0.1188 -5.7849 3 1094.1192A00  595161404624418 2    614516 2      C-13-H3C(O)CH3
  648955.4781  0.1322 -5.7849 3 1094.0659A00  595161404624419 0    614516 0      C-13-H3C(O)CH3
  648955.9822  0.1322 -5.7849 3 1094.0659A00  595161404624418 0    614517 0      C-13-H3C(O)CH3
  648958.1841  0.1029 -5.0243 3  801.5731872  595161404543420 0    533519 0      C-13-H3C(O)CH3
  648979.0627  0.0085 -6.3064 3  102.8553344  595161404211110 2    20 813 2      C-13-H3C(O)CH3
  648993.5354  0.0394 -5.4422 3  823.2313444  595161404553323 3    543420 3      C-13-H3C(O)CH3
  649011.0433  0.0496 -5.1459 3  823.2268888  595161404553323 2    543420 2      C-13-H3C(O)CH3
  649033.0381  0.0395 -5.1461 3  823.2267888  595161404553323 1    543420 1      C-13-H3C(O)CH3
  649053.6950  0.1172 -6.0858 3 1094.1648500  595161404624418 4    614516 4      C-13-H3C(O)CH3
  649066.4859  0.1334 -5.7848 3 1094.1114A00  595161404624418 1    614516 1      C-13-H3C(O)CH3
  649117.9794  0.0083 -6.3065 3  102.8568344  595161404211110 1    20 813 1      C-13-H3C(O)CH3
  649126.4040  0.0337 -5.1478 3  823.2200888  595161404553323 0    543420 0      C-13-H3C(O)CH3
  649145.1498  0.0122 -6.2437 3  486.2437712  595161404441925 0    441628 0      C-13-H3C(O)CH3
  649145.1672  0.0122 -6.2437 3  486.2437712  595161404442025 0    441728 0      C-13-H3C(O)CH3
  649163.8006  0.1072 -6.0871 3 1020.9121C56  59516140478 276 0    78 177 0      C-13-H3C(O)CH3
  649163.8006  0.1072 -5.8016 3 1020.9121C56  59516140478 276 0    78 277 0      C-13-H3C(O)CH3
  649163.8006  0.1072 -5.9888 3 1020.9121C56  59516140478 376 0    78 277 0      C-13-H3C(O)CH3
  649163.8006  0.1072 -5.8629 3 1020.9121C56  59516140478 376 0    78 177 0      C-13-H3C(O)CH3
  649233.3007  0.0149 -6.2439 3  486.2158712  595161404441925 2    441628 2      C-13-H3C(O)CH3
  649233.3202  0.0149 -6.2439 3  486.2158712  595161404442025 2    441728 2      C-13-H3C(O)CH3
  649233.3347  0.1113 -6.0858 3 1094.1417500  595161404624419 3    614516 3      C-13-H3C(O)CH3
  649239.2039  0.1114 -5.7849 3 1094.0938A00  595161404624419 2    614517 2      C-13-H3C(O)CH3
  649246.9804  0.1185 -5.7847 3 1094.0883A00  595161404624419 1    614517 1      C-13-H3C(O)CH3
  649249.3802  0.0136 -6.2420 3  486.2171712  595161404441925 1    441628 1      C-13-H3C(O)CH3
  649249.3991  0.0136 -6.2420 3  486.2171712  595161404442025 1    441728 1      C-13-H3C(O)CH3
  649299.5567  0.4522 -6.3159 3 1774.3542E96  595161404931677 2    931678 2      C-13-H3C(O)CH3
  649299.5567  0.4522 -6.3159 3 1774.3542E96  595161404931777 2    931578 2      C-13-H3C(O)CH3
  649314.5719  0.2300 -5.7877 3  900.2719920  595161404573721 2    563818 2      C-13-H3C(O)CH3
  649344.1621  0.0083 -6.3043 3  102.8330344  595161404211110 0    20 813 0      C-13-H3C(O)CH3
  649350.1506  0.1139 -6.0858 3 1094.1392500  595161404624418 3    614517 3      C-13-H3C(O)CH3
  649380.3248  0.1065 -5.1736 3  866.6559904  595161404563620 0    553719 0      C-13-H3C(O)CH3
  649428.9205  0.0064 -4.3403 3  648.1298856  595161404531737 0    521636 0      C-13-H3C(O)CH3
  649428.9205  0.0064 -3.8291 3  648.1298856  595161404531737 0    521736 0      C-13-H3C(O)CH3
  649428.9205  0.0064 -5.0152 3  648.1298856  595161404531637 0    521636 0      C-13-H3C(O)CH3
  649428.9205  0.0064 -3.7346 3  648.1298856  595161404531637 0    521736 0      C-13-H3C(O)CH3
  649459.3119  0.0098 -5.2050 3  648.1089856  595161404531637 1    521636 1      C-13-H3C(O)CH3
  649459.3119  0.0098 -3.7266 3  648.1089856  595161404531737 1    521636 1      C-13-H3C(O)CH3
  649459.3119  0.0098 -3.7266 3  648.1089856  595161404531637 1    521736 1      C-13-H3C(O)CH3
  649459.3119  0.0098 -5.2050 3  648.1089856  595161404531737 1    521736 1      C-13-H3C(O)CH3
  649461.1976  0.0099 -3.9652 3  648.1083856  595161404531737 2    521736 2      C-13-H3C(O)CH3
  649461.1976  0.0099 -4.0676 3  648.1083856  595161404531737 2    521636 2      C-13-H3C(O)CH3
  649461.1976  0.0099 -4.0676 3  648.1083856  595161404531637 2    521736 2      C-13-H3C(O)CH3
  649461.1976  0.0099 -3.9652 3  648.1083856  595161404531637 2    521636 2      C-13-H3C(O)CH3
  649477.2326  0.1123 -5.5416 3  866.6806904  595161404563620 2    553719 2      C-13-H3C(O)CH3
  649489.5241  0.1220 -5.4995 3  866.6771904  595161404563620 1    553719 1      C-13-H3C(O)CH3
  649491.6343  0.0102 -4.0484 3  648.0874428  595161404531737 3    521736 3      C-13-H3C(O)CH3
  649491.6343  0.0102 -5.1239 3  648.0874428  595161404531637 3    521736 3      C-13-H3C(O)CH3
  649491.6343  0.0102 -5.1239 3  648.0874428  595161404531737 3    521636 3      C-13-H3C(O)CH3
  649491.6343  0.0102 -4.0484 3  648.0874428  595161404531637 3    521636 3      C-13-H3C(O)CH3
  649491.6671  0.0102 -4.2049 3  648.0874428  595161404531637 4    521636 4      C-13-H3C(O)CH3
  649491.6671  0.0102 -4.4611 3  648.0874428  595161404531637 4    521736 4      C-13-H3C(O)CH3
  649491.6671  0.0102 -4.2049 3  648.0874428  595161404531737 4    521736 4      C-13-H3C(O)CH3
  649491.6671  0.0102 -4.4611 3  648.0874428  595161404531737 4    521636 4      C-13-H3C(O)CH3
  649491.9052  0.0069 -3.9448 3  707.5569492  59516140461 754 4    60 853 4      C-13-H3C(O)CH3
  649491.9052  0.0069 -3.9448 3  707.5569492  59516140461 854 4    60 753 4      C-13-H3C(O)CH3
  649491.9546  0.0069 -4.1552 3  707.5569492  59516140461 754 3    60 753 3      C-13-H3C(O)CH3
  649491.9546  0.0069 -4.3571 3  707.5569492  59516140461 754 3    60 853 3      C-13-H3C(O)CH3
  649491.9546  0.0069 -4.3571 3  707.5569492  59516140461 854 3    60 753 3      C-13-H3C(O)CH3
  649491.9546  0.0069 -4.1552 3  707.5569492  59516140461 854 3    60 853 3      C-13-H3C(O)CH3
  649500.9422  0.0123 -3.6799 3  707.5874984  59516140461 754 1    60 853 1      C-13-H3C(O)CH3
  649500.9422  0.0123 -3.6799 3  707.5874984  59516140461 854 1    60 753 1      C-13-H3C(O)CH3
  649500.9422  0.0123 -4.7266 3  707.5874984  59516140461 854 1    60 853 1      C-13-H3C(O)CH3
  649500.9422  0.0123 -4.7266 3  707.5874984  59516140461 754 1    60 753 1      C-13-H3C(O)CH3
  649501.3660  0.0121 -3.6690 3  707.5871984  59516140461 854 2    60 853 2      C-13-H3C(O)CH3
  649501.3660  0.0121 -3.6690 3  707.5871984  59516140461 754 2    60 753 2      C-13-H3C(O)CH3
  649501.3660  0.0121 -4.8704 3  707.5871984  59516140461 854 2    60 753 2      C-13-H3C(O)CH3
  649501.3660  0.0121 -4.8704 3  707.5871984  59516140461 754 2    60 853 2      C-13-H3C(O)CH3
  649510.3178  0.0062 -5.2447 3  707.6176984 -59516140461 854 0    60 753 0      C-13-H3C(O)CH3
  649510.3178  0.0062 -5.2447 3  707.6176984 -59516140461 754 0    60 853 0      C-13-H3C(O)CH3
  649510.3178  0.0062 -3.6536 3  707.6176984 -59516140461 854 0    60 853 0      C-13-H3C(O)CH3
  649510.3178  0.0062 -3.6536 3  707.6176984 -59516140461 754 0    60 753 0      C-13-H3C(O)CH3
  649531.3699  0.1171 -6.0857 3 1094.1162500  595161404624419 4    614517 4      C-13-H3C(O)CH3
  649553.3369  0.1694 -5.7308 3  900.2627920  595161404573721 1    563818 1      C-13-H3C(O)CH3
  649595.4631  0.0185 -3.9041 3  472.8454680 -595161404422518 0    412417 0      C-13-H3C(O)CH3
  649620.9304  0.1740 -5.7088 3  900.2969460  595161404573721 3    563818 3      C-13-H3C(O)CH3
  649721.6227  0.0180 -3.9039 3  472.8228680  595161404422518 1    412417 1      C-13-H3C(O)CH3
  649773.7693  0.1244 -5.8510 3 1012.3831484  595161404604120 4    594217 4      C-13-H3C(O)CH3
  649799.5622  0.1205 -6.0666 3  900.2909460  595161404573721 3    563819 3      C-13-H3C(O)CH3
  649819.2018  0.1993 -5.8071 3  770.1421856  595161404533320 2    523418 2      C-13-H3C(O)CH3
  649845.1058  0.1519 -6.0344 3  866.6992452  595161404563620 4    553719 4      C-13-H3C(O)CH3
  649851.9792  0.1299 -5.5507 3 1012.3403968  595161404604120 2    594217 2      C-13-H3C(O)CH3
  649852.9672  0.4864 -6.2528 3 1142.1598A48  595161404653729 0    643826 0      C-13-H3C(O)CH3
  649961.7951  0.1423 -5.6187 3  900.2690460  595161404573721 4    563819 4      C-13-H3C(O)CH3
  649986.7420  0.1418 -5.5519 3 1012.3336968  595161404604120 1    594217 1      C-13-H3C(O)CH3
  649992.5313  0.0068 -3.8668 3  536.7514728 -595161404452521 0    442420 0      C-13-H3C(O)CH3
  650044.4642  0.0258 -3.9037 3  472.8073680  595161404422518 2    412417 2      C-13-H3C(O)CH3
  650053.7301  0.1438 -5.5497 3 1012.2908968  595161404604120 0    594217 0      C-13-H3C(O)CH3
  650058.8204  0.0072 -3.8669 3  536.7323728  595161404452521 1    442420 1      C-13-H3C(O)CH3
  650078.3001  0.2135 -6.2271 3  973.8206C40  59516140477 276 0    77 177 0      C-13-H3C(O)CH3
  650078.3001  0.2135 -6.0352 3  973.8206C40  59516140477 176 0    77 177 0      C-13-H3C(O)CH3
  650078.3001  0.2135 -6.0352 3  973.8206C40  59516140477 276 0    77 077 0      C-13-H3C(O)CH3
  650078.3001  0.2135 -6.2271 3  973.8206C40  59516140477 176 0    77 077 0      C-13-H3C(O)CH3
  650081.8554  0.1440 -5.5496 3 1012.2908968  595161404604119 0    594218 0      C-13-H3C(O)CH3
  650095.1826  0.1169 -5.8615 3 1012.3782484  595161404604120 3    594218 3      C-13-H3C(O)CH3
  650116.9051  0.0071 -3.8670 3  536.7266728  595161404452521 2    442420 2      C-13-H3C(O)CH3
  650135.8971  0.1141 -5.9661 3  770.1338856  595161404533320 1    523418 1      C-13-H3C(O)CH3
  650144.2086  0.1157 -5.3983 3  900.2442920  595161404573721 2    563819 2      C-13-H3C(O)CH3
  650152.7172  0.1102 -5.2499 3  900.2171920  595161404573721 0    563818 0      C-13-H3C(O)CH3
  650159.4470  0.0255 -4.2046 3  472.7850340  595161404422518 4    412417 4      C-13-H3C(O)CH3
  650167.0112  0.0986 -5.8616 3 1012.3789484  595161404604119 3    594217 3      C-13-H3C(O)CH3
  650175.1437  0.0264 -4.2045 3  472.7847340  595161404422518 3    412417 3      C-13-H3C(O)CH3
  650175.1647  0.0050 -3.5090 3  342.8033276  5951614043429 6 4    3328 6 4      C-13-H3C(O)CH3
  650182.3468  0.0070 -4.1682 3  536.7075364  595161404452521 4    442420 4      C-13-H3C(O)CH3
  650184.7603  0.0074 -4.1682 3  536.7074364  595161404452521 3    442420 3      C-13-H3C(O)CH3
  650202.0046  0.0039 -3.2079 3  342.8574552 -5951614043429 6 2    3328 6 2      C-13-H3C(O)CH3
  650205.0291  0.0040 -3.2079 3  342.8385552 -5951614043429 6 1    3328 6 1      C-13-H3C(O)CH3
  650226.3611  0.1089 -5.4239 3  900.2402920  595161404573721 1    563819 1      C-13-H3C(O)CH3
  650232.5522  0.0038 -3.2078 3  342.8924552 -5951614043429 5 0    3328 6 0      C-13-H3C(O)CH3
  650232.5522  0.0038 -3.2078 3  342.8924552 -5951614043429 6 0    3328 5 0      C-13-H3C(O)CH3
  650245.5124  0.1188 -5.5505 3 1012.3361968  595161404604119 2    594218 2      C-13-H3C(O)CH3
  650282.2534  0.0137 -5.8300 3  148.4481188  5951614042320 4 3    2217 5 3      C-13-H3C(O)CH3
  650313.3650  0.1401 -5.5516 3 1012.3287968  595161404604119 1    594218 1      C-13-H3C(O)CH3
  650313.5923  0.0169 -5.8330 3  148.4996188  5951614042320 3 4    2217 5 4      C-13-H3C(O)CH3
  650316.9575  0.0050 -3.5089 3  342.8041276  5951614043429 6 3    3328 6 3      C-13-H3C(O)CH3
  650334.3505  0.3330 -6.1343 3 1663.4827E64  595161404911477 0    911378 0      C-13-H3C(O)CH3
  650334.3505  0.3330 -6.1363 3 1663.4827E64  595161404911577 0    911478 0      C-13-H3C(O)CH3
  650343.7328  0.0040 -3.2078 3  342.8580552 -5951614043429 5 2    3328 5 2      C-13-H3C(O)CH3
  650374.5651  0.0049 -3.5087 3  342.8155276  5951614043429 5 3    3328 5 3      C-13-H3C(O)CH3
  650403.6802  0.0064 -4.4523 3  659.3456872  595161404541639 0    531538 0      C-13-H3C(O)CH3
  650403.6802  0.0064 -3.7928 3  659.3456872  595161404541639 0    531638 0      C-13-H3C(O)CH3
  650403.6802  0.0064 -4.4523 3  659.3456872  595161404541539 0    531638 0      C-13-H3C(O)CH3
  650403.6802  0.0064 -3.7928 3  659.3456872  595161404541539 0    531538 0      C-13-H3C(O)CH3
  650404.1436  0.0040 -3.2075 3  342.8505552 -5951614043429 5 1    3328 5 1      C-13-H3C(O)CH3
  650431.5502  0.0104 -3.7073 3  659.3235872  595161404541639 1    531638 1      C-13-H3C(O)CH3
  650431.5502  0.0104 -3.7073 3  659.3235872  595161404541539 1    531538 1      C-13-H3C(O)CH3
  650433.0475  0.0105 -3.7447 3  659.3230872  595161404541539 2    531538 2      C-13-H3C(O)CH3
  650433.0475  0.0105 -3.7447 3  659.3230872  595161404541639 2    531638 2      C-13-H3C(O)CH3
  650433.0475  0.0105 -4.7843 3  659.3230872  595161404541639 2    531538 2      C-13-H3C(O)CH3
  650433.0475  0.0105 -4.7843 3  659.3230872  595161404541539 2    531638 2      C-13-H3C(O)CH3
  650437.5607  0.4156 -6.2330 3 1663.4964E64  595161404911477 1    911478 1      C-13-H3C(O)CH3
  650437.5607  0.4156 -6.2330 3 1663.4964E64  595161404911577 1    911378 1      C-13-H3C(O)CH3
  650445.4474  0.4157 -6.1800 3 1663.4965E64  595161404911577 2    911378 2      C-13-H3C(O)CH3
  650445.4474  0.4157 -6.1800 3 1663.4965E64  595161404911477 2    911478 2      C-13-H3C(O)CH3
  650454.2036  0.1154 -6.0276 3 1179.6869A32  595161404644718 0    634815 0      C-13-H3C(O)CH3
  650454.2101  0.1154 -6.0276 3 1179.6869A32  595161404644717 0    634816 0      C-13-H3C(O)CH3
  650460.9591  0.0102 -4.3073 3  659.3008436  595161404541639 3    531638 3      C-13-H3C(O)CH3
  650460.9591  0.0102 -4.3073 3  659.3008436  595161404541539 3    531538 3      C-13-H3C(O)CH3
  650460.9591  0.0102 -4.3102 3  659.3008436  595161404541539 3    531638 3      C-13-H3C(O)CH3
  650460.9591  0.0102 -4.3102 3  659.3008436  595161404541639 3    531538 3      C-13-H3C(O)CH3
  650460.9848  0.0102 -5.1374 3  659.3008436  595161404541539 4    531638 4      C-13-H3C(O)CH3
  650460.9848  0.0102 -4.0412 3  659.3008436  595161404541639 4    531638 4      C-13-H3C(O)CH3
  650460.9848  0.0102 -5.1374 3  659.3008436  595161404541639 4    531538 4      C-13-H3C(O)CH3
  650460.9848  0.0102 -4.0412 3  659.3008436  595161404541539 4    531538 4      C-13-H3C(O)CH3
  650490.2344  0.1106 -5.8506 3 1012.3741484  595161404604119 4    594218 4      C-13-H3C(O)CH3
  650515.5072  0.0056 -3.5085 3  342.8161276  5951614043429 5 4    3328 5 4      C-13-H3C(O)CH3
  650563.6606  0.0307 -4.2140 3  356.4407292  595161404362512 4    352411 4      C-13-H3C(O)CH3
  650568.1751  0.6422 -6.2476 3 1142.1491A48  595161404653729 2    643826 2      C-13-H3C(O)CH3
  650573.7998  0.0141 -5.8251 3  148.3873188  5951614042320 4 4    2217 6 4      C-13-H3C(O)CH3
  650591.5460  0.1236 -6.0276 3 1179.7348A32  595161404644717 2    634815 2      C-13-H3C(O)CH3
  650602.5560  0.0141 -5.8313 3  148.4388188  5951614042320 3 3    2217 6 3      C-13-H3C(O)CH3
  650620.3703  0.0062 -5.5194 3  713.8230500 -59516140462 756 3    61 655 3      C-13-H3C(O)CH3
  650620.3703  0.0062 -3.9486 3  713.8230500 -59516140462 756 3    61 755 3      C-13-H3C(O)CH3
  650620.3703  0.0062 -3.9916 3  713.8229500 -59516140462 656 4    61 655 4      C-13-H3C(O)CH3
  650620.3703  0.0062 -3.9486 3  713.8230500 -59516140462 656 3    61 655 3      C-13-H3C(O)CH3
  650620.3703  0.0062 -4.8649 3  713.8229500 -59516140462 656 4    61 755 4      C-13-H3C(O)CH3
  650620.3703  0.0062 -3.9916 3  713.8229500 -59516140462 756 4    61 755 4      C-13-H3C(O)CH3
  650620.3703  0.0062 -4.8649 3  713.8229500 -59516140462 756 4    61 655 4      C-13-H3C(O)CH3
  650620.3703  0.0062 -5.5194 3  713.8230500 -59516140462 656 3    61 755 3      C-13-H3C(O)CH3
  650622.6992  0.0259 -3.8755 3  356.4659584  595161404362512 2    352411 2      C-13-H3C(O)CH3
  650635.5699  0.0108 -3.6740 3  713.8515A00 -59516140462 656 1    61 755 1      C-13-H3C(O)CH3
  650635.5699  0.0108 -3.6740 3  713.8515A00 -59516140462 756 1    61 655 1      C-13-H3C(O)CH3
  650635.5699  0.0106 -4.7306 3  713.8512A00 -59516140462 656 2    61 655 2      C-13-H3C(O)CH3
  650635.5699  0.0106 -3.6725 3  713.8512A00 -59516140462 656 2    61 755 2      C-13-H3C(O)CH3
  650635.5699  0.0108 -4.7139 3  713.8515A00 -59516140462 756 1    61 755 1      C-13-H3C(O)CH3
  650635.5699  0.0106 -3.6725 3  713.8512A00 -59516140462 756 2    61 655 2      C-13-H3C(O)CH3
  650635.5699  0.0106 -4.7306 3  713.8512A00 -59516140462 756 2    61 755 2      C-13-H3C(O)CH3
  650635.5699  0.0108 -4.7139 3  713.8515A00 -59516140462 656 1    61 655 1      C-13-H3C(O)CH3
  650650.3951  0.0058 -3.6405 3  713.8798A00 -59516140462 656 0    61 655 0      C-13-H3C(O)CH3
  650650.3951  0.0058 -5.6325 3  713.8798A00 -59516140462 756 0    61 655 0      C-13-H3C(O)CH3
  650650.3951  0.0058 -5.6325 3  713.8798A00 -59516140462 656 0    61 755 0      C-13-H3C(O)CH3
  650650.3951  0.0058 -3.6405 3  713.8798A00 -59516140462 756 0    61 755 0      C-13-H3C(O)CH3
  650676.1029  0.1210 -6.0275 3 1179.7268A32  595161404644717 1    634815 1      C-13-H3C(O)CH3
  650692.6174  0.1122 -6.0275 3 1179.6916A32  595161404644718 1    634816 1      C-13-H3C(O)CH3
  650696.2834  0.0294 -4.1091 3  356.4408292  595161404362512 3    352411 3      C-13-H3C(O)CH3
  650707.2389  0.0058 -4.3033 3  251.2839252  595161404311913 4    301614 4      C-13-H3C(O)CH3
  650714.5811  0.0067 -4.3034 3  251.2837252  595161404311913 3    301614 3      C-13-H3C(O)CH3
  650723.4646  0.0067 -4.0022 3  251.3051504  595161404311913 1    301614 1      C-13-H3C(O)CH3
  650750.0291  0.4519 -6.2460 3 1142.1400A48  595161404653729 1    643826 1      C-13-H3C(O)CH3
  650750.7054  0.1090 -6.0276 3 1179.6944A32  595161404644718 2    634816 2      C-13-H3C(O)CH3
  650818.2319  0.0066 -4.0032 3  251.2974504  595161404311913 2    301614 2      C-13-H3C(O)CH3
  650825.5012  0.0060 -3.4796 3  356.4553584  595161404362512 1    352411 1      C-13-H3C(O)CH3
  650827.4053  0.0071 -4.0030 3  251.3187504  595161404311913 0    301614 0      C-13-H3C(O)CH3
  650838.6298  0.0039 -3.4538 3  356.4802584 -595161404362512 0    352411 0      C-13-H3C(O)CH3
  650858.0899  0.2983 -6.1294 3 1608.9185E48  595161404901377 0    901278 0      C-13-H3C(O)CH3
  650858.0899  0.2983 -6.1294 3 1608.9185E48  595161404901477 0    901378 0      C-13-H3C(O)CH3
  650884.5449  0.0131 -5.5312 3  148.4855376  5951614042320 3 1    2217 5 1      C-13-H3C(O)CH3
  650993.4893  0.3687 -6.0551 3 1608.9267E48  595161404901377 1    901378 1      C-13-H3C(O)CH3
  650993.4893  0.3687 -6.0551 3 1608.9267E48  595161404901477 1    901278 1      C-13-H3C(O)CH3
  650998.5739  0.3717 -6.1701 3 1608.9266E48  595161404901377 2    901278 2      C-13-H3C(O)CH3
  650998.5739  0.3717 -6.1701 3 1608.9266E48  595161404901477 2    901378 2      C-13-H3C(O)CH3
  651150.1575  0.0129 -5.5294 3  148.4386376  5951614042320 4 2    2217 6 2      C-13-H3C(O)CH3
  651152.4106  0.0067 -4.6993 3  356.4553584  595161404362511 1    352411 1      C-13-H3C(O)CH3
  651169.0453  0.0128 -5.5280 3  148.4248376  5951614042320 4 1    2217 6 1      C-13-H3C(O)CH3
  651173.5401  0.0166 -5.4375 3  180.4502212  5951614042619 8 4    251610 4      C-13-H3C(O)CH3
  651183.7358  0.0123 -5.5339 3  148.4901376  5951614042320 3 2    2217 5 2      C-13-H3C(O)CH3
  651236.7134  0.1736 -5.2484 3  770.0906428  595161404533320 3    523419 3      C-13-H3C(O)CH3
  651246.0244  0.0074 -4.0087 3  356.4408292  595161404362511 3    352411 3      C-13-H3C(O)CH3
  651303.1360  0.0075 -3.6603 3  356.4659584  595161404362511 2    352411 2      C-13-H3C(O)CH3
  651373.5561  0.2559 -5.9907 3 1554.9290E32  595161404891277 0    891178 0      C-13-H3C(O)CH3
  651373.5561  0.2559 -5.9907 3 1554.9290E32  595161404891377 0    891278 0      C-13-H3C(O)CH3
  651378.0113  0.0094 -3.9403 3  356.4407292  595161404362511 4    352411 4      C-13-H3C(O)CH3
  651389.9623  0.0079 -3.9397 3  356.4132292  595161404362512 4    352412 4      C-13-H3C(O)CH3
  651396.3858  0.0050 -3.6072 3  348.5586284  5951614043527 9 4    3426 9 4      C-13-H3C(O)CH3
  651400.6738  0.0043 -3.3061 3  348.5823568 -5951614043527 9 1    3426 9 1      C-13-H3C(O)CH3
  651415.3399  0.0064 -5.1418 3  670.0041888  595161404551541 0    541540 0      C-13-H3C(O)CH3
  651415.3399  0.0064 -5.1418 3  670.0041888  595161404551441 0    541440 0      C-13-H3C(O)CH3
  651415.3399  0.0064 -3.7177 3  670.0041888  595161404551541 0    541440 0      C-13-H3C(O)CH3
  651415.3399  0.0064 -3.7177 3  670.0041888  595161404551441 0    541540 0      C-13-H3C(O)CH3
  651440.2870  0.0111 -3.9651 3  669.9806888  595161404551441 1    541540 1      C-13-H3C(O)CH3
  651440.2870  0.0111 -4.0438 3  669.9806888  595161404551541 1    541540 1      C-13-H3C(O)CH3
  651440.2870  0.0111 -3.9651 3  669.9806888  595161404551541 1    541440 1      C-13-H3C(O)CH3
  651440.2870  0.0111 -4.0438 3  669.9806888  595161404551441 1    541440 1      C-13-H3C(O)CH3
  651441.4855  0.0111 -3.9306 3  669.9802888  595161404551441 2    541540 2      C-13-H3C(O)CH3
  651441.4855  0.0111 -3.9306 3  669.9802888  595161404551541 2    541440 2      C-13-H3C(O)CH3
  651441.4855  0.0111 -4.0890 3  669.9802888  595161404551441 2    541440 2      C-13-H3C(O)CH3
  651441.4855  0.0111 -4.0890 3  669.9802888  595161404551541 2    541540 2      C-13-H3C(O)CH3
  651445.4897  0.0066 -3.6595 3  356.4385584  595161404362512 2    352412 2      C-13-H3C(O)CH3
  651445.7027  0.0042 -3.3059 3  348.5958568 -5951614043527 9 2    3426 9 2      C-13-H3C(O)CH3
  651449.3343  0.0037 -3.3058 3  348.6193568 -5951614043527 9 0    3426 8 0      C-13-H3C(O)CH3
  651450.8929  0.0037 -3.3058 3  348.6192568 -5951614043527 8 0    3426 9 0      C-13-H3C(O)CH3
  651457.3274  0.1221 -5.6167 3  900.3188460  595161404573720 4    563818 4      C-13-H3C(O)CH3
  651466.4704  0.0102 -4.1530 3  669.9566444  595161404551441 3    541440 3      C-13-H3C(O)CH3
  651466.4704  0.0102 -4.5360 3  669.9566444  595161404551541 3    541440 3      C-13-H3C(O)CH3
  651466.4704  0.0102 -4.1530 3  669.9566444  595161404551541 3    541540 3      C-13-H3C(O)CH3
  651466.4704  0.0102 -4.5360 3  669.9566444  595161404551441 3    541540 3      C-13-H3C(O)CH3
  651466.4882  0.0102 -4.0026 3  669.9566444  595161404551541 4    541440 4      C-13-H3C(O)CH3
  651466.4882  0.0102 -4.0026 3  669.9566444  595161404551441 4    541540 4      C-13-H3C(O)CH3
  651475.1204  0.0059 -4.6986 3  356.4337584  595161404362512 1    352412 1      C-13-H3C(O)CH3
  651502.4938  0.0048 -3.6073 3  348.5640284  5951614043527 8 3    3426 8 3      C-13-H3C(O)CH3
  651520.4286  0.0075 -4.6937 3  155.4949220  59516140427 819 4    26 720 4      C-13-H3C(O)CH3
  651520.4287  0.0075 -4.6937 3  155.4949220  59516140427 919 4    26 620 4      C-13-H3C(O)CH3
  651520.6423  0.0059 -4.6937 3  155.4949220  59516140427 819 3    26 720 3      C-13-H3C(O)CH3
  651520.6423  0.0059 -4.6937 3  155.4949220  59516140427 919 3    26 620 3      C-13-H3C(O)CH3
  651520.7587  0.0070 -4.0079 3  356.4133292  595161404362512 3    352412 3      C-13-H3C(O)CH3
  651535.3843  0.0077 -3.6725 3  348.8808584  595161404362313 2    352214 2      C-13-H3C(O)CH3
  651537.4855  0.3088 -6.0543 3 1554.9306E32  595161404891277 1    891178 1      C-13-H3C(O)CH3
  651537.4855  0.3088 -6.0543 3 1554.9306E32  595161404891377 1    891278 1      C-13-H3C(O)CH3
  651540.0077  0.3137 -6.0056 3 1554.9304E32  595161404891377 2    891278 2      C-13-H3C(O)CH3
  651540.0077  0.3137 -6.0056 3 1554.9304E32  595161404891277 2    891178 2      C-13-H3C(O)CH3
  651551.1348  0.0038 -3.3060 3  348.6011568 -5951614043527 8 2    3426 8 2      C-13-H3C(O)CH3
  651561.8548  0.0062 -3.6730 3  348.9041584 -595161404362313 0    352214 0      C-13-H3C(O)CH3
  651568.7371  0.0045 -3.6069 3  348.5602284  5951614043527 9 3    3426 9 3      C-13-H3C(O)CH3
  651571.8018  0.0036 -3.3059 3  348.5838568 -5951614043527 8 1    3426 8 1      C-13-H3C(O)CH3
  651594.9627  0.0083 -3.9742 3  348.8598292  595161404362313 4    352214 4      C-13-H3C(O)CH3
  651595.2988  0.0094 -3.9740 3  348.8599292  595161404362313 3    352214 3      C-13-H3C(O)CH3
  651618.7080  0.1651 -6.0639 3  900.2969460  595161404573720 3    563818 3      C-13-H3C(O)CH3
  651621.2804  0.0067 -3.6735 3  348.8833584  595161404362313 1    352214 1      C-13-H3C(O)CH3
  651669.8336  0.1294 -5.3962 3  900.2719920  595161404573720 2    563818 2      C-13-H3C(O)CH3
  651674.1475  0.0045 -3.6069 3  348.5656284  5951614043527 8 4    3426 8 4      C-13-H3C(O)CH3
  651735.7540  0.0140 -5.5331 3  148.4764376  5951614042320 4 0    2217 5 0      C-13-H3C(O)CH3
  651758.2083  0.0055 -3.9335 3  719.5530508  59516140463 658 4    62 657 4      C-13-H3C(O)CH3
  651758.2083  0.0055 -6.0432 3  719.5530508  59516140463 558 4    62 657 4      C-13-H3C(O)CH3
  651758.2575  0.0055 -4.0173 3  719.5530508  59516140463 558 3    62 557 3      C-13-H3C(O)CH3
  651758.2575  0.0055 -4.6706 3  719.5530508  59516140463 658 3    62 557 3      C-13-H3C(O)CH3
  651758.3240  0.0055 -3.9335 3  719.5530508 -59516140463 558 4    62 557 4      C-13-H3C(O)CH3
  651758.3240  0.0055 -6.0432 3  719.5530508 -59516140463 658 4    62 557 4      C-13-H3C(O)CH3
  651758.3240  0.0055 -4.0173 3  719.5530508 -59516140463 658 3    62 657 3      C-13-H3C(O)CH3
  651758.3240  0.0055 -4.6706 3  719.5530508 -59516140463 558 3    62 657 3      C-13-H3C(O)CH3
  651767.8384  0.0140 -5.5330 3  148.4754376  5951614042320 3 0    2217 6 0      C-13-H3C(O)CH3
  651770.0373  0.0039 -3.4528 3  356.4587584  595161404362511 0    352412 0      C-13-H3C(O)CH3
  651778.4784  0.0088 -4.5785 3  719.5777A16  59516140463 658 1    62 657 1      C-13-H3C(O)CH3
  651778.4784  0.0088 -3.6809 3  719.5777A16  59516140463 558 1    62 657 1      C-13-H3C(O)CH3
  651778.7097  0.0086 -3.7282 3  719.5774A16 -59516140463 558 2    62 557 2      C-13-H3C(O)CH3
  651778.7097  0.0086 -4.3197 3  719.5774A16 -59516140463 658 2    62 557 2      C-13-H3C(O)CH3
  651778.7097  0.0088 -4.5785 3  719.5777A16 -59516140463 558 1    62 557 1      C-13-H3C(O)CH3
  651778.7097  0.0088 -3.6809 3  719.5777A16 -59516140463 658 1    62 557 1      C-13-H3C(O)CH3
  651778.7649  0.0086 -4.3197 3  719.5774A16  59516140463 558 2    62 657 2      C-13-H3C(O)CH3
  651778.7649  0.0086 -3.7282 3  719.5774A16  59516140463 658 2    62 657 2      C-13-H3C(O)CH3
  651797.3398  0.1357 -5.7052 3  900.2909460  595161404573720 3    563819 3      C-13-H3C(O)CH3
  651798.9187  0.0052 -5.2103 3  719.6020A16 -59516140463 558 0    62 557 0      C-13-H3C(O)CH3
  651798.9187  0.0052 -5.2103 3  719.6020A16 -59516140463 658 0    62 657 0      C-13-H3C(O)CH3
  651798.9708  0.0052 -3.6408 3  719.6020A16  59516140463 558 0    62 657 0      C-13-H3C(O)CH3
  651798.9708  0.0052 -3.6408 3  719.6020A16  59516140463 658 0    62 557 0      C-13-H3C(O)CH3
  651802.0298  0.0068 -3.4785 3  356.4337584  595161404362511 1    352412 1      C-13-H3C(O)CH3
  651833.4358  0.1316 -5.4214 3  900.2627920  595161404573720 1    563818 1      C-13-H3C(O)CH3
  651867.1450  0.0054 -4.3921 3  155.4806440  59516140427 819 2    26 720 2      C-13-H3C(O)CH3
  651867.1451  0.0054 -4.3921 3  155.4806440  59516140427 919 2    26 620 2      C-13-H3C(O)CH3
  651879.3228  0.0056 -4.3922 3  155.4815440  59516140427 819 1    26 720 1      C-13-H3C(O)CH3
  651879.3229  0.0056 -4.3922 3  155.4815440  59516140427 919 1    26 620 1      C-13-H3C(O)CH3
  651884.9678  0.2087 -6.2672 3 1501.5147E16  595161404881277 0    881078 0      C-13-H3C(O)CH3
  651884.9678  0.2087 -6.1346 3 1501.5147E16  595161404881177 0    881078 0      C-13-H3C(O)CH3
  651884.9678  0.2087 -6.2672 3 1501.5147E16  595161404881177 0    881178 0      C-13-H3C(O)CH3
  651884.9678  0.2087 -6.1346 3 1501.5147E16  595161404881277 0    881178 0      C-13-H3C(O)CH3
  651892.4906  0.0115 -5.1776 3  180.4594424  5951614042619 8 1    251610 1      C-13-H3C(O)CH3
  652026.2022  0.1292 -5.3829 3  770.0673428  595161404533320 4    523419 4      C-13-H3C(O)CH3
  652029.8872  0.0152 -5.6397 3  180.4520212  5951614042619 8 3    251610 3      C-13-H3C(O)CH3
  652070.4998  0.0299 -4.1078 3  356.4133292  595161404362511 3    352412 3      C-13-H3C(O)CH3
  652070.6793  0.2412 -5.8951 3 1501.5090E16  595161404881277 1    881078 1      C-13-H3C(O)CH3
  652070.6793  0.2412 -5.8951 3 1501.5090E16  595161404881177 1    881178 1      C-13-H3C(O)CH3
  652071.1145  0.2463 -5.9844 3 1501.5088E16  595161404881177 2    881178 2      C-13-H3C(O)CH3
  652071.1145  0.2463 -5.9844 3 1501.5088E16  595161404881277 2    881078 2      C-13-H3C(O)CH3
  652125.9265  0.0273 -3.8740 3  356.4385584  595161404362511 2    352412 2      C-13-H3C(O)CH3
  652160.3454  0.1451 -5.0066 3  770.0640856  595161404533320 2    523419 2      C-13-H3C(O)CH3
  652181.1877  0.1931 -5.4560 3  828.2055444  595161404553422 4    543519 4      C-13-H3C(O)CH3
  652204.3130  0.0328 -4.2125 3  356.4132292  595161404362511 4    352412 4      C-13-H3C(O)CH3
  652225.1120  0.0054 -4.3913 3  155.4673440  59516140427 819 0    26 720 0      C-13-H3C(O)CH3
  652225.1121  0.0054 -4.3913 3  155.4673440  59516140427 919 0    26 620 0      C-13-H3C(O)CH3
  652230.0253  0.0114 -6.2730 3  459.8570696  595161404431825 0    431528 0      C-13-H3C(O)CH3
  652230.0304  0.0114 -6.2730 3  459.8570696  595161404431925 0    431628 0      C-13-H3C(O)CH3
  652257.0191  0.1600 -6.2914 3 1501.5030708  595161404881177 3    881078 3      C-13-H3C(O)CH3
  652257.0191  0.1600 -6.2914 3 1501.5030708  595161404881277 3    881178 3      C-13-H3C(O)CH3
  652257.2877  0.1601 -6.2279 3 1501.5030708  595161404881277 4    881078 4      C-13-H3C(O)CH3
  652257.2877  0.1601 -6.2279 3 1501.5030708  595161404881177 4    881178 4      C-13-H3C(O)CH3
  652291.3703  0.1015 -4.9859 3  770.0619856  595161404533320 1    523419 1      C-13-H3C(O)CH3
  652299.0452  0.0136 -6.2734 3  459.8280696  595161404431825 2    431528 2      C-13-H3C(O)CH3
  652299.0510  0.0136 -6.2734 3  459.8280696  595161404431925 2    431628 2      C-13-H3C(O)CH3
  652307.5521  0.1171 -5.2465 3  900.2142920  595161404573720 0    563819 0      C-13-H3C(O)CH3
  652315.3056  0.0129 -6.2713 3  459.8293696  595161404431825 1    431528 1      C-13-H3C(O)CH3
  652315.3112  0.0129 -6.2713 3  459.8293696  595161404431925 1    431628 1      C-13-H3C(O)CH3
  652379.8486  0.0122 -5.2122 3  180.4577424  5951614042619 8 2    251610 2      C-13-H3C(O)CH3
  652397.4275  0.1612 -5.8507 3 1448.6759E00  595161404871077 0    87 978 0      C-13-H3C(O)CH3
  652397.4275  0.1612 -5.8507 3 1448.6759E00  595161404871177 0    871078 0      C-13-H3C(O)CH3
  652397.9916  0.0233 -6.2214 3  679.4014824  595161404512526 0    512229 0      C-13-H3C(O)CH3
  652401.1109  0.0233 -6.2214 3  679.4014824  595161404512626 0    512329 0      C-13-H3C(O)CH3
  652429.0453  0.0148 -5.3386 3  180.4520212  5951614042619 7 3    251610 3      C-13-H3C(O)CH3
  652455.7071  0.0065 -4.5474 3  680.1097904 -595161404561343 0    551342 0      C-13-H3C(O)CH3
  652455.7071  0.0065 -3.7629 3  680.1097904 -595161404561443 0    551342 0      C-13-H3C(O)CH3
  652455.7071  0.0065 -3.7629 3  680.1097904 -595161404561343 0    551442 0      C-13-H3C(O)CH3
  652455.7071  0.0065 -4.5474 3  680.1097904 -595161404561443 0    551442 0      C-13-H3C(O)CH3
  652477.1485  0.0119 -3.8119 3  680.0847904  595161404561443 1    551342 1      C-13-H3C(O)CH3
  652477.1485  0.0119 -4.3298 3  680.0847904  595161404561443 1    551442 1      C-13-H3C(O)CH3
  652477.1485  0.0119 -3.8119 3  680.0847904  595161404561343 1    551442 1      C-13-H3C(O)CH3
  652477.1485  0.0119 -4.3298 3  680.0847904  595161404561343 1    551342 1      C-13-H3C(O)CH3
  652478.1173  0.0118 -3.9047 3  680.0843904  595161404561443 2    551342 2      C-13-H3C(O)CH3
  652478.1173  0.0118 -4.1167 3  680.0843904  595161404561443 2    551442 2      C-13-H3C(O)CH3
  652478.1173  0.0118 -4.1167 3  680.0843904  595161404561343 2    551342 2      C-13-H3C(O)CH3
  652478.1173  0.0118 -3.9047 3  680.0843904  595161404561343 2    551442 2      C-13-H3C(O)CH3
  652494.4273  0.0354 -6.2213 3  679.3900824  595161404512526 2    512229 2      C-13-H3C(O)CH3
  652497.8277  0.0354 -6.2213 3  679.3900824  595161404512626 2    512329 2      C-13-H3C(O)CH3
  652499.4703  0.1353 -5.7823 3  900.2442920  595161404573720 2    563819 2      C-13-H3C(O)CH3
  652499.7435  0.0101 -4.3202 3  680.0593452  595161404561443 3    551442 3      C-13-H3C(O)CH3
  652499.7435  0.0101 -4.2785 3  680.0593452  595161404561443 3    551342 3      C-13-H3C(O)CH3
  652499.7435  0.0101 -4.6132 3  680.0593452  595161404561343 3    551342 3      C-13-H3C(O)CH3
  652499.7435  0.0101 -4.1184 3  680.0593452  595161404561343 3    551442 3      C-13-H3C(O)CH3
  652499.7524  0.0100 -4.0308 3  680.0592452  595161404561443 4    551342 4      C-13-H3C(O)CH3
  652499.7524  0.0100 -5.1335 3  680.0592452  595161404561343 4    551342 4      C-13-H3C(O)CH3
  652499.7524  0.0100 -5.1335 3  680.0592452  595161404561443 4    551442 4      C-13-H3C(O)CH3
  652499.7524  0.0100 -4.0308 3  680.0592452  595161404561343 4    551442 4      C-13-H3C(O)CH3
  652503.6447  0.0259 -6.2204 3  679.3907824  595161404512526 1    512229 1      C-13-H3C(O)CH3
  652506.4600  0.1440 -5.7259 3  900.2402920  595161404573720 1    563819 1      C-13-H3C(O)CH3
  652507.0173  0.0259 -6.2204 3  679.3907824  595161404512626 1    512329 1      C-13-H3C(O)CH3
  652593.4561  0.1783 -5.8256 3 1448.6623E00  595161404871177 2    87 978 2      C-13-H3C(O)CH3
  652593.4561  0.1783 -5.8256 3 1448.6623E00  595161404871077 2    871078 2      C-13-H3C(O)CH3
  652594.4369  0.1751 -5.9426 3 1448.6625E00  595161404871177 1    87 978 1      C-13-H3C(O)CH3
  652594.4369  0.1751 -5.9426 3 1448.6625E00  595161404871077 1    871078 1      C-13-H3C(O)CH3
  652626.6725  0.0075 -6.3064 3  102.8553344  595161404211210 2    20 713 2      C-13-H3C(O)CH3
  652692.4122  0.0074 -6.3064 3  102.8568344  595161404211210 1    20 713 1      C-13-H3C(O)CH3
  652750.3584  0.1098 -4.9422 3  770.0496856  595161404533320 0    523419 0      C-13-H3C(O)CH3
  652772.0289  0.1066 -5.3722 3  828.1878444  595161404553422 3    543519 3      C-13-H3C(O)CH3
  652773.9190  0.0062 -6.2586 3  370.5948300  595161404372413 3    362313 3      C-13-H3C(O)CH3
  652790.6329  0.1405 -6.1353 3 1448.6489700  595161404871177 3    87 978 3      C-13-H3C(O)CH3
  652790.6329  0.1405 -6.1353 3 1448.6489700  595161404871077 3    871078 3      C-13-H3C(O)CH3
  652790.8828  0.1405 -6.3043 3 1448.6489700  595161404871077 4    871078 4      C-13-H3C(O)CH3
  652790.8828  0.1405 -6.3043 3 1448.6489700  595161404871177 4    87 978 4      C-13-H3C(O)CH3
  652801.2833  0.0067 -5.8370 3  370.5946300  595161404372413 4    362313 4      C-13-H3C(O)CH3
  652809.3176  0.0056 -5.7089 3  370.6136600  595161404372413 2    362313 2      C-13-H3C(O)CH3
  652879.7193  0.1409 -5.1025 3  828.1733888  595161404553422 2    543519 2      C-13-H3C(O)CH3
  652905.4143  0.0047 -3.9494 3  724.7486516  59516140464 560 4    63 559 4      C-13-H3C(O)CH3
  652905.4143  0.0047 -5.1492 3  724.7486516  59516140464 460 4    63 559 4      C-13-H3C(O)CH3
  652905.4532  0.0047 -4.0897 3  724.7486516  59516140464 460 3    63 459 3      C-13-H3C(O)CH3
  652905.4532  0.0047 -4.4188 3  724.7486516  59516140464 560 3    63 459 3      C-13-H3C(O)CH3
  652905.4932  0.0047 -4.4188 3  724.7486516 -59516140464 460 3    63 559 3      C-13-H3C(O)CH3
  652905.4932  0.0047 -3.9494 3  724.7486516 -59516140464 460 4    63 459 4      C-13-H3C(O)CH3
  652905.4932  0.0047 -5.1492 3  724.7486516 -59516140464 560 4    63 459 4      C-13-H3C(O)CH3
  652905.4932  0.0047 -4.0897 3  724.7486516 -59516140464 560 3    63 559 3      C-13-H3C(O)CH3
  652917.0138  0.1204 -6.1352 3 1396.4127D84  59516140486 977 0    86 978 0      C-13-H3C(O)CH3
  652917.0138  0.1204 -5.9948 3 1396.4127D84  595161404861077 0    86 978 0      C-13-H3C(O)CH3
  652917.0138  0.1204 -5.9948 3 1396.4127D84  59516140486 977 0    86 878 0      C-13-H3C(O)CH3
  652917.0138  0.1204 -6.1352 3 1396.4127D84  595161404861077 0    86 878 0      C-13-H3C(O)CH3
  652929.9933  0.0068 -3.6892 3  724.7667A32  59516140464 460 1    63 459 1      C-13-H3C(O)CH3
  652929.9933  0.0068 -4.4637 3  724.7667A32  59516140464 560 1    63 459 1      C-13-H3C(O)CH3
  652930.1788  0.0067 -4.1866 3  724.7663A32  59516140464 560 2    63 559 2      C-13-H3C(O)CH3
  652930.1788  0.0067 -4.1866 3  724.7663A32  59516140464 460 2    63 459 2      C-13-H3C(O)CH3
  652930.1888  0.0067 -3.7599 3  724.7663A32 -59516140464 460 2    63 559 2      C-13-H3C(O)CH3
  652930.1888  0.0068 -4.4637 3  724.7667A32 -59516140464 460 1    63 559 1      C-13-H3C(O)CH3
  652930.1888  0.0067 -3.7599 3  724.7663A32 -59516140464 560 2    63 459 2      C-13-H3C(O)CH3
  652930.1888  0.0068 -3.6892 3  724.7667A32 -59516140464 560 1    63 559 1      C-13-H3C(O)CH3
  652954.6544  0.0047 -4.3854 3  724.7844A32 -59516140464 460 0    63 559 0      C-13-H3C(O)CH3
  652954.6544  0.0047 -4.3854 3  724.7844A32 -59516140464 560 0    63 459 0      C-13-H3C(O)CH3
  652954.6932  0.0047 -3.7039 3  724.7844A32  59516140464 460 0    63 459 0      C-13-H3C(O)CH3
  652954.6932  0.0047 -3.7039 3  724.7844A32  59516140464 560 0    63 559 0      C-13-H3C(O)CH3
  652990.3909  0.0222 -4.2627 3  541.3464364  595161404452520 3    442619 3      C-13-H3C(O)CH3
  653000.1854  0.0227 -4.2627 3  541.3461364  595161404452520 4    442619 4      C-13-H3C(O)CH3
  653019.8143  0.0075 -6.3043 3  102.8330344  595161404211210 0    20 713 0      C-13-H3C(O)CH3
  653040.8255  0.0824 -5.0929 3  828.1678888  595161404553422 1    543519 1      C-13-H3C(O)CH3
  653052.6056  0.0090 -5.0838 3  127.9353212  59516140426 621 3    25 422 3      C-13-H3C(O)CH3
  653052.6056  0.0090 -5.0738 3  127.9353212  59516140426 521 3    25 322 3      C-13-H3C(O)CH3
  653052.6964  0.0109 -5.1743 3  127.9354212  59516140426 621 4    25 422 4      C-13-H3C(O)CH3
  653052.6964  0.0109 -5.7179 3  127.9354212  59516140426 621 4    25 322 4      C-13-H3C(O)CH3
  653052.6964  0.0109 -5.1688 3  127.9354212  59516140426 521 4    25 322 4      C-13-H3C(O)CH3
  653052.6964  0.0109 -5.7377 3  127.9354212  59516140426 521 4    25 422 4      C-13-H3C(O)CH3
  653066.3640  0.0241 -3.9610 3  541.3625728  595161404452520 2    442619 2      C-13-H3C(O)CH3
  653108.8006  0.1283 -5.8225 3 1396.3918D84  595161404861077 2    86 878 2      C-13-H3C(O)CH3
  653108.8006  0.1283 -5.8225 3 1396.3918D84  59516140486 977 2    86 978 2      C-13-H3C(O)CH3
  653110.3958  0.1298 -5.7580 3 1396.3919D84  59516140486 977 1    86 878 1      C-13-H3C(O)CH3
  653110.3958  0.1298 -5.7580 3 1396.3919D84  595161404861077 1    86 978 1      C-13-H3C(O)CH3
  653131.4567  0.0138 -3.9604 3  541.3669728  595161404452520 1    442619 1      C-13-H3C(O)CH3
  653155.0143  0.0075 -3.9810 3  247.7473504  595161404311714 2    301615 2      C-13-H3C(O)CH3
  653188.7206  0.0117 -5.1488 3  180.4594424  5951614042619 7 1    251610 1      C-13-H3C(O)CH3
  653192.2356  0.0096 -4.2818 3  247.7318252  595161404311714 3    301615 3      C-13-H3C(O)CH3
  653193.4995  0.0080 -4.8645 3  180.4660424  5951614042619 7 0    251610 0      C-13-H3C(O)CH3
  653198.6063  0.0092 -4.2818 3  247.7318252  595161404311714 4    301615 4      C-13-H3C(O)CH3
  653201.7322  0.0163 -3.9597 3  541.3832728  595161404452520 0    442619 0      C-13-H3C(O)CH3
  653269.8458  0.0065 -3.9810 3  247.7676504  595161404311714 0    301615 0      C-13-H3C(O)CH3
  653302.4980  0.1240 -6.2954 3 1396.3708692  59516140486 977 4    86 878 4      C-13-H3C(O)CH3
  653302.4980  0.1240 -6.2954 3 1396.3708692  595161404861077 4    86 978 4      C-13-H3C(O)CH3
  653307.2321  0.0126 -5.1223 3  180.4577424  5951614042619 7 2    251610 2      C-13-H3C(O)CH3
  653308.0056  0.0077 -3.9809 3  247.7520504  595161404311714 1    301615 1      C-13-H3C(O)CH3
  653392.3041  0.0167 -5.4902 3  180.4502212  5951614042619 7 4    251610 4      C-13-H3C(O)CH3
  653450.8685  0.0968 -5.7034 3 1344.7250D68  59516140485 877 0    85 778 0      C-13-H3C(O)CH3
  653450.8685  0.0968 -5.7034 3 1344.7250D68  59516140485 977 0    85 878 0      C-13-H3C(O)CH3
  653475.1466  0.0633 -5.0713 3  828.1436888  595161404553422 0    543519 0      C-13-H3C(O)CH3
  653518.5825  0.0065 -5.8753 3  689.6659920 -595161404571245 0    561244 0      C-13-H3C(O)CH3
  653518.5825  0.0065 -5.8753 3  689.6659920 -595161404571345 0    561344 0      C-13-H3C(O)CH3
  653518.5825  0.0065 -3.6951 3  689.6659920 -595161404571345 0    561244 0      C-13-H3C(O)CH3
  653518.5825  0.0065 -3.6951 3  689.6659920 -595161404571245 0    561344 0      C-13-H3C(O)CH3
  653535.9992  0.0127 -5.3960 3  689.6393920 -595161404571345 1    561244 1      C-13-H3C(O)CH3
  653535.9992  0.0127 -3.7009 3  689.6393920 -595161404571345 1    561344 1      C-13-H3C(O)CH3
  653535.9992  0.0127 -5.3960 3  689.6393920 -595161404571245 1    561344 1      C-13-H3C(O)CH3
  653535.9992  0.0127 -3.7009 3  689.6393920 -595161404571245 1    561244 1      C-13-H3C(O)CH3
  653537.1496  0.0126 -6.1787 3  689.6390920 -595161404571245 2    561244 2      C-13-H3C(O)CH3
  653537.1496  0.0126 -6.1787 3  689.6390920 -595161404571345 2    561344 2      C-13-H3C(O)CH3
  653537.1496  0.0126 -3.6936 3  689.6390920 -595161404571345 2    561244 2      C-13-H3C(O)CH3
  653537.1496  0.0126 -3.6936 3  689.6390920 -595161404571245 2    561344 2      C-13-H3C(O)CH3
  653554.8986  0.0098 -6.0049 3  689.6123460  595161404571245 4    561344 4      C-13-H3C(O)CH3
  653554.8986  0.0098 -3.9974 3  689.6123460  595161404571245 4    561244 4      C-13-H3C(O)CH3
  653554.8986  0.0098 -6.0049 3  689.6123460  595161404571345 4    561244 4      C-13-H3C(O)CH3
  653554.8986  0.0098 -3.9974 3  689.6123460  595161404571345 4    561344 4      C-13-H3C(O)CH3
  653554.8992  0.0098 -3.9948 3  689.6124460  595161404571245 3    561244 3      C-13-H3C(O)CH3
  653554.8992  0.0098 -4.0158 3  689.6124460  595161404571345 3    561344 3      C-13-H3C(O)CH3
  653554.8992  0.0098 -5.2870 3  689.6124460  595161404571345 3    561244 3      C-13-H3C(O)CH3
  653560.9530  0.0099 -4.7709 3  127.8981424  59516140426 521 2    25 422 2      C-13-H3C(O)CH3
  653560.9530  0.0099 -4.7704 3  127.8981424  59516140426 621 2    25 322 2      C-13-H3C(O)CH3
  653567.0980  0.0102 -6.2759 3  127.8986424  59516140426 521 1    25 322 1      C-13-H3C(O)CH3
  653567.0980  0.0102 -4.7766 3  127.8986424  59516140426 521 1    25 422 1      C-13-H3C(O)CH3
  653567.0980  0.0102 -4.7709 3  127.8986424  59516140426 621 1    25 322 1      C-13-H3C(O)CH3
  653587.0417  0.2129 -6.0373 3  739.3679420  595161404523220 4    513318 4      C-13-H3C(O)CH3
  653619.1310  0.1246 -5.7835 3 1344.6976D68  59516140485 977 2    85 878 2      C-13-H3C(O)CH3
  653619.1310  0.1246 -5.7835 3 1344.6976D68  59516140485 877 2    85 778 2      C-13-H3C(O)CH3
  653620.5017  0.1306 -5.8026 3 1344.6977D68  59516140485 977 1    85 778 1      C-13-H3C(O)CH3
  653620.5017  0.1306 -5.8026 3 1344.6977D68  59516140485 877 1    85 878 1      C-13-H3C(O)CH3
  653656.5350  0.0157 -5.9893 3   99.7514204  59516140425 323 3    24 024 3      C-13-H3C(O)CH3
  653656.5350  0.0157 -5.9893 3   99.7514204  59516140425 223 3    24 124 3      C-13-H3C(O)CH3
  653657.3684  0.0175 -5.9922 3   99.7514204  59516140425 323 4    24 124 4      C-13-H3C(O)CH3
  653657.3684  0.0175 -5.9922 3   99.7514204  59516140425 223 4    24 024 4      C-13-H3C(O)CH3
  653678.1307  0.1024 -6.2787 3 1269.0950A64  595161404665017 0    655114 0      C-13-H3C(O)CH3
  653678.1308  0.1024 -6.2787 3 1269.0950A64  595161404665016 0    655115 0      C-13-H3C(O)CH3
  653726.3666  0.0058 -4.3830 3  204.0030236  595161404291316 4    281217 4      C-13-H3C(O)CH3
  653726.4783  0.0048 -4.3830 3  204.0030236  595161404291316 3    281217 3      C-13-H3C(O)CH3
  653737.4123  0.0058 -4.3829 3  204.0030236  595161404291416 4    281117 4      C-13-H3C(O)CH3
  653737.5698  0.0048 -4.3829 3  204.0029236  595161404291416 3    281117 3      C-13-H3C(O)CH3
  653788.8415  0.1121 -6.0262 3 1344.6703684  59516140485 877 3    85 778 3      C-13-H3C(O)CH3
  653788.8415  0.1121 -6.0262 3 1344.6703684  59516140485 977 3    85 878 3      C-13-H3C(O)CH3
  653788.9098  0.1121 -6.0158 3 1344.6703684  59516140485 977 4    85 878 4      C-13-H3C(O)CH3
  653788.9098  0.1121 -6.0158 3 1344.6703684  59516140485 877 4    85 778 4      C-13-H3C(O)CH3
  653802.8945  0.1293 -6.2787 3 1269.0834A64  595161404665017 1    655115 1      C-13-H3C(O)CH3
  653871.2301  0.0045 -4.0817 3  204.0110472  595161404291316 2    281217 2      C-13-H3C(O)CH3
  653882.5388  0.0045 -4.0817 3  204.0110472  595161404291416 2    281117 2      C-13-H3C(O)CH3
  653901.4553  0.0046 -4.0818 3  204.0134472  595161404291316 1    281217 1      C-13-H3C(O)CH3
  653904.6890  0.1494 -6.2789 3 1269.1306A64  595161404665016 2    655114 2      C-13-H3C(O)CH3
  653912.3124  0.0046 -4.0818 3  204.0134472  595161404291416 1    281117 1      C-13-H3C(O)CH3
  653918.3804  0.1191 -6.2788 3 1269.0832A64  595161404665017 2    655115 2      C-13-H3C(O)CH3
  653926.0110  0.1317 -6.2787 3 1269.1237A64  595161404665016 1    655114 1      C-13-H3C(O)CH3
  654007.2751  0.0962 -5.6624 3 1293.6123D52  59516140484 877 0    84 778 0      C-13-H3C(O)CH3
  654007.2751  0.0962 -5.6624 3 1293.6123D52  59516140484 777 0    84 678 0      C-13-H3C(O)CH3
  654045.9403  0.0046 -4.0815 3  204.0214472  595161404291316 0    281217 0      C-13-H3C(O)CH3
  654057.0205  0.0046 -4.0815 3  204.0214472  595161404291416 0    281117 0      C-13-H3C(O)CH3
  654062.4486  0.0041 -4.4525 3  729.4113524  59516140465 362 4    64 461 4      C-13-H3C(O)CH3
  654062.4486  0.0041 -4.4525 3  729.4113524  59516140465 462 4    64 361 4      C-13-H3C(O)CH3
  654062.4692  0.0041 -5.3515 3  729.4113524  59516140465 362 3    64 361 3      C-13-H3C(O)CH3
  654062.4692  0.0041 -3.9310 3  729.4113524  59516140465 462 3    64 361 3      C-13-H3C(O)CH3
  654062.4977  0.0041 -4.0636 3  729.4113524 -59516140465 462 4    64 461 4      C-13-H3C(O)CH3
  654062.4977  0.0041 -3.9310 3  729.4113524 -59516140465 362 3    64 461 3      C-13-H3C(O)CH3
  654062.4977  0.0041 -5.3515 3  729.4113524 -59516140465 462 3    64 461 3      C-13-H3C(O)CH3
  654062.4977  0.0041 -4.0636 3  729.4113524 -59516140465 362 4    64 361 4      C-13-H3C(O)CH3
  654074.3224  0.0094 -4.7651 3  127.8614424  59516140426 521 0    25 322 0      C-13-H3C(O)CH3
  654074.3224  0.0094 -4.7631 3  127.8614424  59516140426 621 0    25 422 0      C-13-H3C(O)CH3
  654089.2760  0.0061 -4.3123 3  729.4189A48  59516140465 462 1    64 461 1      C-13-H3C(O)CH3
  654089.2760  0.0061 -3.7108 3  729.4189A48  59516140465 362 1    64 461 1      C-13-H3C(O)CH3
  654089.3421  0.0061 -3.6169 3  729.4186A48  59516140465 362 2    64 461 2      C-13-H3C(O)CH3
  654089.3421  0.0061 -5.7689 3  729.4186A48  59516140465 462 2    64 461 2      C-13-H3C(O)CH3
  654089.3829  0.0061 -4.3123 3  729.4189A48 -59516140465 362 1    64 361 1      C-13-H3C(O)CH3
  654089.3829  0.0061 -3.6169 3  729.4186A48 -59516140465 462 2    64 361 2      C-13-H3C(O)CH3
  654089.3829  0.0061 -5.7689 3  729.4186A48 -59516140465 362 2    64 361 2      C-13-H3C(O)CH3
  654089.3829  0.0061 -3.7108 3  729.4189A48 -59516140465 462 1    64 361 1      C-13-H3C(O)CH3
  654116.1108  0.0046 -3.6805 3  729.4262A48  59516140465 462 0    64 461 0      C-13-H3C(O)CH3
  654116.1108  0.0046 -4.4603 3  729.4262A48  59516140465 362 0    64 461 0      C-13-H3C(O)CH3
  654116.1375  0.0046 -4.4603 3  729.4262A48 -59516140465 462 0    64 361 0      C-13-H3C(O)CH3
  654116.1375  0.0046 -3.6805 3  729.4262A48 -59516140465 362 0    64 361 0      C-13-H3C(O)CH3
  654126.6504  0.1592 -5.9695 3 1293.5804D52  59516140484 777 2    84 778 2      C-13-H3C(O)CH3
  654126.6504  0.1592 -5.9295 3 1293.5804D52  59516140484 777 2    84 678 2      C-13-H3C(O)CH3
  654126.6504  0.1592 -5.9695 3 1293.5804D52  59516140484 877 2    84 678 2      C-13-H3C(O)CH3
  654126.6504  0.1592 -5.9295 3 1293.5804D52  59516140484 877 2    84 778 2      C-13-H3C(O)CH3
  654127.0448  0.1651 -5.8786 3 1293.5805D52  59516140484 877 1    84 778 1      C-13-H3C(O)CH3
  654127.0448  0.1651 -6.0331 3 1293.5805D52  59516140484 777 1    84 778 1      C-13-H3C(O)CH3
  654127.0448  0.1651 -6.0331 3 1293.5805D52  59516140484 877 1    84 678 1      C-13-H3C(O)CH3
  654127.0448  0.1651 -5.8786 3 1293.5805D52  59516140484 777 1    84 678 1      C-13-H3C(O)CH3
  654246.3243  0.1047 -6.0422 3 1293.5486676  59516140484 777 4    84 678 4      C-13-H3C(O)CH3
  654246.3243  0.1047 -6.1043 3 1293.5486676  59516140484 877 4    84 778 4      C-13-H3C(O)CH3
  654246.4450  0.1046 -6.0517 3 1293.5486676  59516140484 877 3    84 778 3      C-13-H3C(O)CH3
  654246.4450  0.1046 -6.0517 3 1293.5486676  59516140484 777 3    84 678 3      C-13-H3C(O)CH3
  654371.9829  0.0216 -6.0494 3   99.6808408  59516140425 323 2    24 024 2      C-13-H3C(O)CH3
  654371.9829  0.0216 -6.0494 3   99.6808408  59516140425 223 2    24 124 2      C-13-H3C(O)CH3
  654371.9829  0.0216 -5.9337 3   99.6808408  59516140425 323 2    24 124 2      C-13-H3C(O)CH3
  654371.9829  0.0216 -5.9337 3   99.6808408  59516140425 223 2    24 024 2      C-13-H3C(O)CH3
  654372.9260  0.0221 -6.0280 3   99.6812408  59516140425 323 1    24 124 1      C-13-H3C(O)CH3
  654372.9260  0.0221 -5.9512 3   99.6812408  59516140425 323 1    24 024 1      C-13-H3C(O)CH3
  654372.9260  0.0221 -5.9512 3   99.6812408  59516140425 223 1    24 124 1      C-13-H3C(O)CH3
  654372.9260  0.0221 -6.0280 3   99.6812408  59516140425 223 1    24 024 1      C-13-H3C(O)CH3
  654475.0971  0.2632 -6.1057 3  934.5047936  595161404583821 2    573918 2      C-13-H3C(O)CH3
  654558.3676  0.1962 -6.1449 3  739.3461840  595161404523220 2    513318 2      C-13-H3C(O)CH3
  654577.9726  0.0057 -3.1126 3  345.0741536 -5951614043332 2 2    3231 2 2      C-13-H3C(O)CH3
  654595.7228  0.1071 -5.9687 3 1243.0739D36  59516140483 777 0    83 678 0      C-13-H3C(O)CH3
  654595.7228  0.1071 -5.8553 3 1243.0739D36  59516140483 677 0    83 678 0      C-13-H3C(O)CH3
  654595.7228  0.1071 -5.9687 3 1243.0739D36  59516140483 677 0    83 578 0      C-13-H3C(O)CH3
  654595.7228  0.1071 -5.8553 3 1243.0739D36  59516140483 777 0    83 578 0      C-13-H3C(O)CH3
  654600.1508  0.0067 -3.7087 3  698.6753936  595161404581247 0    571246 0      C-13-H3C(O)CH3
  654600.1508  0.0067 -5.0116 3  698.6753936  595161404581247 0    571146 0      C-13-H3C(O)CH3
  654600.1508  0.0067 -5.0116 3  698.6753936  595161404581147 0    571246 0      C-13-H3C(O)CH3
  654600.1508  0.0067 -3.7087 3  698.6753936  595161404581147 0    571146 0      C-13-H3C(O)CH3
  654607.3962  0.0054 -3.1127 3  345.1413536  5951614043332 1 0    3231 2 0      C-13-H3C(O)CH3
  654607.3962  0.0054 -3.1127 3  345.1413536  5951614043332 2 0    3231 1 0      C-13-H3C(O)CH3
  654613.6204  0.0134 -3.6876 3  698.6472936  595161404581247 1    571146 1      C-13-H3C(O)CH3
  654613.6204  0.0134 -3.6876 3  698.6472936  595161404581147 1    571246 1      C-13-H3C(O)CH3
  654614.2845  0.0133 -3.6878 3  698.6469936  595161404581147 2    571246 2      C-13-H3C(O)CH3
  654614.2845  0.0133 -3.6878 3  698.6469936  595161404581247 2    571146 2      C-13-H3C(O)CH3
  654626.6241  0.0081 -3.4135 3  344.9980268  5951614043332 2 4    3231 2 4      C-13-H3C(O)CH3
  654627.7680  0.0095 -4.1147 3  698.6188468  595161404581247 4    571146 4      C-13-H3C(O)CH3
  654627.7680  0.0095 -4.5868 3  698.6188468  595161404581247 4    571246 4      C-13-H3C(O)CH3
  654627.7680  0.0095 -4.5868 3  698.6188468  595161404581147 4    571146 4      C-13-H3C(O)CH3
  654627.7680  0.0095 -4.1147 3  698.6188468  595161404581147 4    571246 4      C-13-H3C(O)CH3
  654627.7787  0.0095 -4.3517 3  698.6188468  595161404581147 3    571246 3      C-13-H3C(O)CH3
  654627.7787  0.0095 -4.2352 3  698.6188468  595161404581147 3    571146 3      C-13-H3C(O)CH3
  654627.7787  0.0095 -4.2352 3  698.6188468  595161404581247 3    571246 3      C-13-H3C(O)CH3
  654627.7787  0.0095 -4.3517 3  698.6188468  595161404581247 3    571146 3      C-13-H3C(O)CH3
  654632.6946  0.1990 -5.7016 3 1243.0407D36  59516140483 777 1    83 578 1      C-13-H3C(O)CH3
  654632.6946  0.1990 -6.3159 3 1243.0407D36  59516140483 677 1    83 578 1      C-13-H3C(O)CH3
  654632.6946  0.1990 -5.6539 3 1243.0407D36  59516140483 677 1    83 678 1      C-13-H3C(O)CH3
  654633.7849  0.1953 -6.3133 3 1243.0406D36  59516140483 777 2    83 578 2      C-13-H3C(O)CH3
  654633.7849  0.1953 -5.7376 3 1243.0406D36  59516140483 777 2    83 678 2      C-13-H3C(O)CH3
  654633.7849  0.1953 -5.7022 3 1243.0406D36  59516140483 677 2    83 578 2      C-13-H3C(O)CH3
  654633.7849  0.1953 -6.1928 3 1243.0406D36  59516140483 677 2    83 678 2      C-13-H3C(O)CH3
  654655.5927  0.0060 -3.1125 3  345.0652536 -5951614043332 2 1    3231 2 1      C-13-H3C(O)CH3
  654670.3552  0.0997 -6.0330 3 1243.0073668  59516140483 777 4    83 578 4      C-13-H3C(O)CH3
  654670.3552  0.0997 -6.0330 3 1243.0073668  59516140483 677 4    83 678 4      C-13-H3C(O)CH3
  654670.7293  0.0996 -6.1164 3 1243.0074668  59516140483 677 3    83 678 3      C-13-H3C(O)CH3
  654670.7293  0.0996 -6.1164 3 1243.0074668  59516140483 777 3    83 578 3      C-13-H3C(O)CH3
  654700.2466  0.2030 -6.0244 3  934.4962936  595161404583821 1    573918 1      C-13-H3C(O)CH3
  654789.9461  0.0057 -3.1124 3  345.0915536 -5951614043332 1 2    3231 1 2      C-13-H3C(O)CH3
  654796.9612  0.1944 -5.8641 3  934.5353468  595161404583821 3    573918 3      C-13-H3C(O)CH3
  654837.1279  0.0077 -3.4133 3  345.0401268  5951614043332 1 3    3231 1 3      C-13-H3C(O)CH3
  654837.8087  0.0078 -3.4132 3  345.0155268  5951614043332 2 3    3231 2 3      C-13-H3C(O)CH3
  654845.9130  0.1594 -5.6503 3  934.5147468  595161404583821 4    573919 4      C-13-H3C(O)CH3
  654866.8670  0.0058 -3.1123 3  345.1073536 -5951614043332 1 1    3231 1 1      C-13-H3C(O)CH3
  654927.7379  0.1319 -5.9914 3  934.5309468  595161404583821 3    573919 3      C-13-H3C(O)CH3
  655014.8202  0.0059 -3.7944 3  590.1515776 -595161404482226 0    472325 0      C-13-H3C(O)CH3
  655014.8202  0.0059 -3.7944 3  590.1515776 -595161404482326 0    472225 0      C-13-H3C(O)CH3
  655032.7269  0.0081 -6.0265 3  132.0224188  5951614042315 9 4    221012 4      C-13-H3C(O)CH3
  655048.5832  0.0080 -3.4130 3  345.0575268  5951614043332 1 4    3231 1 4      C-13-H3C(O)CH3
  655054.2786  0.0074 -3.7944 3  590.1352776  595161404482226 1    472325 1      C-13-H3C(O)CH3
  655054.9980  0.0074 -3.7944 3  590.1352776  595161404482326 1    472225 1      C-13-H3C(O)CH3
  655056.0192  0.0945 -5.9005 3 1193.0483660  59516140482 677 4    82 478 4      C-13-H3C(O)CH3
  655056.0192  0.0945 -5.9005 3 1193.0483660  59516140482 577 4    82 578 4      C-13-H3C(O)CH3
  655056.6726  0.0945 -5.9710 3 1193.0483660  59516140482 677 3    82 578 3      C-13-H3C(O)CH3
  655056.6726  0.0945 -5.9710 3 1193.0483660  59516140482 577 3    82 478 3      C-13-H3C(O)CH3
  655063.4321  0.0079 -3.7944 3  590.1335776  595161404482226 2    472325 2      C-13-H3C(O)CH3
  655064.1669  0.0079 -3.7944 3  590.1335776  595161404482326 2    472225 2      C-13-H3C(O)CH3
  655086.6342  0.0209 -6.2851 3   99.6108408  59516140425 323 0    24 124 0      C-13-H3C(O)CH3
  655086.6342  0.0209 -5.8110 3   99.6108408  59516140425 323 0    24 024 0      C-13-H3C(O)CH3
  655086.6342  0.0209 -5.8110 3   99.6108408  59516140425 223 0    24 124 0      C-13-H3C(O)CH3
  655086.6342  0.0209 -6.2851 3   99.6108408  59516140425 223 0    24 024 0      C-13-H3C(O)CH3
  655087.9293  0.0107 -6.3085 3  434.0489680  595161404421725 0    421428 0      C-13-H3C(O)CH3
  655087.9307  0.0107 -6.3084 3  434.0489680  595161404421825 0    421528 0      C-13-H3C(O)CH3
  655090.9427  0.1353 -5.3989 3  934.4842936  595161404583821 2    573919 2      C-13-H3C(O)CH3
  655103.3575  0.0090 -4.0955 3  590.1172388  595161404482226 3    472325 3      C-13-H3C(O)CH3
  655103.4151  0.0090 -4.0955 3  590.1171388  595161404482226 4    472325 4      C-13-H3C(O)CH3
  655104.1511  0.0090 -4.0955 3  590.1171388  595161404482326 3    472225 3      C-13-H3C(O)CH3
  655104.2044  0.0090 -4.0955 3  590.1171388  595161404482326 4    472225 4      C-13-H3C(O)CH3
  655131.2116  0.0127 -6.3085 3  434.0195680  595161404421725 2    421428 2      C-13-H3C(O)CH3
  655131.2133  0.0127 -6.3085 3  434.0195680  595161404421825 2    421528 2      C-13-H3C(O)CH3
  655140.5331  0.2118 -6.0062 3 1193.0787D20  59516140482 577 1    82 478 1      C-13-H3C(O)CH3
  655140.5331  0.2118 -5.7834 3 1193.0787D20  59516140482 577 1    82 578 1      C-13-H3C(O)CH3
  655140.5331  0.2118 -5.7834 3 1193.0787D20  59516140482 677 1    82 478 1      C-13-H3C(O)CH3
  655140.5331  0.2118 -6.0062 3 1193.0787D20  59516140482 677 1    82 578 1      C-13-H3C(O)CH3
  655143.1809  0.2103 -5.5904 3 1193.0785D20  59516140482 577 2    82 578 2      C-13-H3C(O)CH3
  655143.1809  0.2103 -5.5904 3 1193.0785D20  59516140482 677 2    82 478 2      C-13-H3C(O)CH3
  655147.5823  0.0124 -6.3061 3  434.0207680  595161404421725 1    421428 1      C-13-H3C(O)CH3
  655147.5838  0.0124 -6.3061 3  434.0207680  595161404421825 1    421528 1      C-13-H3C(O)CH3
  655159.9773  0.0067 -6.0234 3  132.0223188  5951614042315 9 3    221012 3      C-13-H3C(O)CH3
  655186.6291  0.0062 -3.7761 3  604.9458792 -595161404492228 0    482127 0      C-13-H3C(O)CH3
  655186.6291  0.0062 -3.7761 3  604.9458792 -595161404492128 0    482227 0      C-13-H3C(O)CH3
  655191.4342  0.1246 -5.4168 3  934.4798936  595161404583821 1    573919 1      C-13-H3C(O)CH3
  655222.6514  0.1269 -5.3212 3  934.4500936  595161404583821 0    573918 0      C-13-H3C(O)CH3
  655226.0570  0.0079 -3.7761 3  604.9295792  595161404492128 1    482227 1      C-13-H3C(O)CH3
  655226.0694  0.0079 -3.7761 3  604.9295792  595161404492228 1    482127 1      C-13-H3C(O)CH3
  655226.9496  0.1131 -5.6663 3 1193.1089D20  59516140482 577 0    82 478 0      C-13-H3C(O)CH3
  655226.9496  0.1131 -5.6663 3 1193.1089D20  59516140482 677 0    82 578 0      C-13-H3C(O)CH3
  655230.1695  0.0041 -5.4846 3  733.5428532  59516140466 364 3    65 363 3      C-13-H3C(O)CH3
  655230.1695  0.0041 -3.9180 3  733.5428532  59516140466 264 3    65 363 3      C-13-H3C(O)CH3
  655230.1718  0.0041 -3.9931 3  733.5429532  59516140466 264 4    65 363 4      C-13-H3C(O)CH3
  655230.1718  0.0041 -4.6485 3  733.5429532  59516140466 364 4    65 363 4      C-13-H3C(O)CH3
  655230.1989  0.0041 -5.4846 3  733.5428532 -59516140466 264 3    65 263 3      C-13-H3C(O)CH3
  655230.1989  0.0041 -4.6485 3  733.5429532 -59516140466 264 4    65 263 4      C-13-H3C(O)CH3
  655230.1989  0.0041 -3.9180 3  733.5428532 -59516140466 364 3    65 263 3      C-13-H3C(O)CH3
  655230.1989  0.0041 -3.9931 3  733.5429532 -59516140466 364 4    65 263 4      C-13-H3C(O)CH3
  655232.5155  0.0084 -3.7761 3  604.9282792  595161404492128 2    482227 2      C-13-H3C(O)CH3
  655232.5281  0.0084 -3.7761 3  604.9282792  595161404492228 2    482127 2      C-13-H3C(O)CH3
  655255.6271  0.0067 -4.3725 3  733.5348A64 -59516140466 264 1    65 363 1      C-13-H3C(O)CH3
  655255.6271  0.0068 -3.6199 3  733.5344A64 -59516140466 264 2    65 263 2      C-13-H3C(O)CH3
  655255.6271  0.0068 -5.0840 3  733.5344A64 -59516140466 264 2    65 363 2      C-13-H3C(O)CH3
  655255.6271  0.0068 -5.0840 3  733.5344A64 -59516140466 364 2    65 263 2      C-13-H3C(O)CH3
  655255.6271  0.0067 -4.3725 3  733.5348A64 -59516140466 364 1    65 263 1      C-13-H3C(O)CH3
  655255.6271  0.0067 -3.6867 3  733.5348A64 -59516140466 364 1    65 363 1      C-13-H3C(O)CH3
  655255.6271  0.0067 -3.6867 3  733.5348A64 -59516140466 264 1    65 263 1      C-13-H3C(O)CH3
  655255.6271  0.0068 -3.6199 3  733.5344A64 -59516140466 364 2    65 363 2      C-13-H3C(O)CH3
  655272.0006  0.0095 -4.0771 3  604.9118396  595161404492128 3    482227 3      C-13-H3C(O)CH3
  655272.0148  0.0095 -4.0771 3  604.9118396  595161404492228 3    482127 3      C-13-H3C(O)CH3
  655272.0591  0.0095 -4.0771 3  604.9118396  595161404492128 4    482227 4      C-13-H3C(O)CH3
  655272.0732  0.0095 -4.0771 3  604.9118396  595161404492228 4    482127 4      C-13-H3C(O)CH3
  655281.2172  0.0048 -3.8248 3  733.5264A64 -59516140466 364 0    65 263 0      C-13-H3C(O)CH3
  655281.2172  0.0048 -4.0066 3  733.5264A64 -59516140466 264 0    65 263 0      C-13-H3C(O)CH3
  655281.2247  0.0048 -4.0066 3  733.5264A64  59516140466 364 0    65 363 0      C-13-H3C(O)CH3
  655281.2247  0.0048 -3.8248 3  733.5264A64  59516140466 264 0    65 363 0      C-13-H3C(O)CH3
  655363.5482  0.0056 -3.8207 3  574.6728760  595161404472324 0    462423 0      C-13-H3C(O)CH3
  655392.8717  0.0056 -3.8207 3  574.6720760 -595161404472424 0    462323 0      C-13-H3C(O)CH3
  655397.7535  0.0879 -5.8728 3 1143.6734652  59516140481 577 4    81 478 4      C-13-H3C(O)CH3
  655397.7535  0.0879 -5.8728 3 1143.6734652  59516140481 477 4    81 378 4      C-13-H3C(O)CH3
  655398.6117  0.0879 -5.8942 3 1143.6734652  59516140481 577 3    81 378 3      C-13-H3C(O)CH3
  655398.6117  0.0879 -5.8942 3 1143.6734652  59516140481 477 3    81 478 3      C-13-H3C(O)CH3
  655402.9354  0.0069 -3.8208 3  574.6563760  595161404472324 1    462423 1      C-13-H3C(O)CH3
  655412.4574  0.0071 -5.7222 3  132.0146376  5951614042315 9 1    221012 1      C-13-H3C(O)CH3
  655416.5144  0.0076 -3.8208 3  574.6538760  595161404472324 2    462423 2      C-13-H3C(O)CH3
  655433.7718  0.0069 -3.8207 3  574.6555760  595161404472424 1    462323 1      C-13-H3C(O)CH3
  655448.0294  0.0074 -3.8208 3  574.6530760  595161404472424 2    462323 2      C-13-H3C(O)CH3
  655455.8834  0.0085 -4.1219 3  574.6372380  595161404472324 3    462423 3      C-13-H3C(O)CH3
  655455.9784  0.0085 -4.1219 3  574.6372380  595161404472324 4    462423 4      C-13-H3C(O)CH3
  655488.9147  0.0083 -4.1218 3  574.6363380  595161404472424 4    462323 4      C-13-H3C(O)CH3
  655488.9265  0.0083 -4.1219 3  574.6364380  595161404472424 3    462323 3      C-13-H3C(O)CH3
  655493.6167  0.0069 -5.7222 3  132.0115376  5951614042315 9 2    221012 2      C-13-H3C(O)CH3
  655633.9803  0.1383 -5.8626 3 1132.1051A16  595161404634519 0    624616 0      C-13-H3C(O)CH3
  655634.1837  0.1383 -5.8626 3 1132.1051A16  595161404634518 0    624617 0      C-13-H3C(O)CH3
  655641.6542  0.1055 -5.4953 3  912.3668936  595161404583425 0    573522 0      C-13-H3C(O)CH3
  655654.0845  0.1922 -5.8814 3 1143.6948D04  59516140481 577 1    81 478 1      C-13-H3C(O)CH3
  655654.0845  0.1922 -5.8628 3 1143.6948D04  59516140481 577 1    81 378 1      C-13-H3C(O)CH3
  655654.0845  0.1922 -5.8628 3 1143.6948D04  59516140481 477 1    81 478 1      C-13-H3C(O)CH3
  655654.0845  0.1922 -5.8814 3 1143.6948D04  59516140481 477 1    81 378 1      C-13-H3C(O)CH3
  655657.3926  0.1264 -5.8627 3 1132.1580A16  595161404634518 2    624616 2      C-13-H3C(O)CH3
  655657.6992  0.1920 -5.9834 3 1143.6944D04  59516140481 577 2    81 378 2      C-13-H3C(O)CH3
  655657.6992  0.1920 -5.9834 3 1143.6944D04  59516140481 477 2    81 478 2      C-13-H3C(O)CH3
  655657.6992  0.1920 -5.7834 3 1143.6944D04  59516140481 477 2    81 378 2      C-13-H3C(O)CH3
  655657.6992  0.1920 -5.7834 3 1143.6944D04  59516140481 577 2    81 478 2      C-13-H3C(O)CH3
  655663.8439  0.0065 -3.7627 3  619.1020808  595161404502030 0    492129 0      C-13-H3C(O)CH3
  655663.8441  0.0065 -3.7627 3  619.1020808  595161404502130 0    492029 0      C-13-H3C(O)CH3
  655689.4640  0.0851 -6.0941 3 1094.8846644  59516140480 477 4    80 378 4      C-13-H3C(O)CH3
  655689.4640  0.0851 -6.0941 3 1094.8846644  59516140480 377 4    80 278 4      C-13-H3C(O)CH3
  655690.2462  0.0850 -6.0414 3 1094.8845644  59516140480 477 3    80 378 3      C-13-H3C(O)CH3
  655690.2462  0.0850 -6.0414 3 1094.8845644  59516140480 377 3    80 278 3      C-13-H3C(O)CH3
  655697.4920  0.0068 -4.5561 3  707.1402952  595161404591049 0    581148 0      C-13-H3C(O)CH3
  655697.4920  0.0068 -3.7453 3  707.1402952  595161404591049 0    581048 0      C-13-H3C(O)CH3
  655697.4920  0.0068 -3.7453 3  707.1402952  595161404591149 0    581148 0      C-13-H3C(O)CH3
  655697.4920  0.0068 -4.5561 3  707.1402952  595161404591149 0    581048 0      C-13-H3C(O)CH3
  655702.4329  0.0085 -3.7627 3  619.0854808  595161404502030 1    492129 1      C-13-H3C(O)CH3
  655702.4331  0.0085 -3.7627 3  619.0854808  595161404502130 1    492029 1      C-13-H3C(O)CH3
  655706.1602  0.0141 -3.6851 3  707.1108952  595161404591149 1    581048 1      C-13-H3C(O)CH3
  655706.1602  0.0141 -3.6851 3  707.1108952  595161404591049 1    581148 1      C-13-H3C(O)CH3
  655706.1602  0.0141 -5.9705 3  707.1108952  595161404591149 1    581148 1      C-13-H3C(O)CH3
  655706.1602  0.0141 -5.9705 3  707.1108952  595161404591049 1    581048 1      C-13-H3C(O)CH3
  655706.7300  0.0139 -3.6895 3  707.1105952  595161404591049 2    581148 2      C-13-H3C(O)CH3
  655706.7300  0.0139 -5.4968 3  707.1105952  595161404591149 2    581148 2      C-13-H3C(O)CH3
  655706.7300  0.0139 -3.6895 3  707.1105952  595161404591149 2    581048 2      C-13-H3C(O)CH3
  655706.7300  0.0139 -5.4968 3  707.1105952  595161404591049 2    581048 2      C-13-H3C(O)CH3
  655707.1840  0.0088 -3.7626 3  619.0844808  595161404502030 2    492129 2      C-13-H3C(O)CH3
  655707.1841  0.0088 -3.7626 3  619.0844808  595161404502130 2    492029 2      C-13-H3C(O)CH3
  655715.3969  0.0091 -6.0354 3  707.0810476  595161404591149 4    581148 4      C-13-H3C(O)CH3
  655715.3969  0.0091 -3.9877 3  707.0810476  595161404591049 4    581148 4      C-13-H3C(O)CH3
  655715.3969  0.0091 -6.0354 3  707.0810476  595161404591049 4    581048 4      C-13-H3C(O)CH3
  655715.3969  0.0091 -3.9877 3  707.0810476  595161404591149 4    581048 4      C-13-H3C(O)CH3
  655715.4180  0.0091 -3.9839 3  707.0810476  595161404591049 3    581148 3      C-13-H3C(O)CH3
  655715.4180  0.0091 -3.9839 3  707.0810476  595161404591149 3    581048 3      C-13-H3C(O)CH3
  655745.8281  0.0100 -4.0637 3  619.0678404  595161404502030 3    492129 3      C-13-H3C(O)CH3
  655745.8283  0.0100 -4.0637 3  619.0678404  595161404502130 3    492029 3      C-13-H3C(O)CH3
  655745.8854  0.0100 -4.0637 3  619.0678404  595161404502030 4    492129 4      C-13-H3C(O)CH3
  655745.8856  0.0100 -4.0637 3  619.0678404  595161404502130 4    492029 4      C-13-H3C(O)CH3
  655779.0330  0.1646 -5.9902 3  934.5353468  595161404583820 3    573918 3      C-13-H3C(O)CH3
  655779.6299  0.1396 -5.8625 3 1132.1506A16  595161404634518 1    624616 1      C-13-H3C(O)CH3
  655803.4819  0.1288 -6.1636 3 1132.2035508  595161404634518 4    624616 4      C-13-H3C(O)CH3
  655807.5953  0.0074 -5.7202 3  132.0038376  5951614042315 9 0    221012 0      C-13-H3C(O)CH3
  655861.9654  0.1196 -5.6493 3  934.5516468  595161404583820 4    573918 4      C-13-H3C(O)CH3
  655889.8802  0.1221 -5.3980 3  934.5047936  595161404583820 2    573918 2      C-13-H3C(O)CH3
  655909.8098  0.1515 -5.8622 3  934.5309468  595161404583820 3    573919 3      C-13-H3C(O)CH3
  655912.9558  0.1050 -5.5762 3 1143.7158D04  59516140481 577 0    81 478 0      C-13-H3C(O)CH3
  655912.9558  0.1050 -5.5762 3 1143.7158D04  59516140481 477 0    81 378 0      C-13-H3C(O)CH3
  655922.7449  0.0804 -6.1201 3  828.0807444  595161404553422 4    543520 4      C-13-H3C(O)CH3
  655924.6150  0.1029 -6.0922 3 1046.6841636  59516140479 277 4    79 278 4      C-13-H3C(O)CH3
  655924.6150  0.1029 -6.0922 3 1046.6841636  59516140479 377 4    79 178 4      C-13-H3C(O)CH3
  655924.6641  0.1027 -6.0153 3 1046.6840636  59516140479 377 3    79 178 3      C-13-H3C(O)CH3
  655924.6641  0.1027 -6.0153 3 1046.6840636  59516140479 277 3    79 278 3      C-13-H3C(O)CH3
  655926.4067  0.1179 -5.8626 3 1132.1270A16  595161404634519 2    624617 2      C-13-H3C(O)CH3
  655928.4662  0.1233 -5.8625 3 1132.1221A16  595161404634519 1    624617 1      C-13-H3C(O)CH3
  655951.6266  0.1231 -6.1635 3 1132.1750508  595161404634519 3    624616 3      C-13-H3C(O)CH3
  655951.7171  0.0988 -6.0246 3 1048.8727492  595161404614220 4    604317 4      C-13-H3C(O)CH3
  655956.7480  0.0870 -6.2181 3  828.0706888  595161404553422 2    543520 2      C-13-H3C(O)CH3
  655985.0764  0.1331 -5.6327 3 1048.8273984  595161404614220 2    604317 2      C-13-H3C(O)CH3
  656023.7810  0.1427 -5.4157 3  934.4962936  595161404583820 1    573918 1      C-13-H3C(O)CH3
  656030.2350  0.0990 -5.4890 3  912.3593936  595161404583425 1    573522 1      C-13-H3C(O)CH3
  656072.2077  0.1261 -6.1635 3 1132.1724508  595161404634518 3    624617 3      C-13-H3C(O)CH3
  656076.3577  0.1389 -5.4885 3  912.3581936  595161404583425 2    573522 2      C-13-H3C(O)CH3
  656094.3921  0.1580 -6.2201 3  999.0743628  59516140478 277 3    78 078 3      C-13-H3C(O)CH3
  656094.3921  0.1580 -6.2201 3  999.0743628  59516140478 177 3    78 178 3      C-13-H3C(O)CH3
  656096.3731  0.1576 -6.2497 3  999.0743628  59516140478 177 4    78 078 4      C-13-H3C(O)CH3
  656096.3731  0.1576 -6.2497 3  999.0743628  59516140478 277 4    78 178 4      C-13-H3C(O)CH3
  656121.7922  0.1499 -5.6369 3 1048.8208984  595161404614219 1    604317 1      C-13-H3C(O)CH3
  656147.1863  0.1535 -5.6250 3 1048.7754984  595161404614220 0    604317 0      C-13-H3C(O)CH3
  656159.3260  0.1536 -5.6250 3 1048.7754984  595161404614219 0    604318 0      C-13-H3C(O)CH3
  656177.3403  0.1432 -5.7431 3 1094.8889C88  59516140480 477 1    80 378 1      C-13-H3C(O)CH3
  656177.3403  0.1432 -6.1222 3 1094.8889C88  59516140480 477 1    80 278 1      C-13-H3C(O)CH3
  656177.3403  0.1432 -5.7431 3 1094.8889C88  59516140480 377 1    80 278 1      C-13-H3C(O)CH3
  656177.3403  0.1432 -6.1222 3 1094.8889C88  59516140480 377 1    80 378 1      C-13-H3C(O)CH3
  656180.4045  0.1430 -5.5983 3 1094.8885C88  59516140480 377 2    80 278 2      C-13-H3C(O)CH3
  656180.4045  0.1430 -5.5983 3 1094.8885C88  59516140480 477 2    80 378 2      C-13-H3C(O)CH3
  656221.7711  0.1264 -6.1635 3 1132.1440508  595161404634519 4    624617 4      C-13-H3C(O)CH3
  656258.3838  0.1195 -5.9295 3 1048.8614492  595161404614220 3    604318 3      C-13-H3C(O)CH3
  656269.9407  0.1306 -5.3195 3  934.4487936  595161404583820 0    573919 0      C-13-H3C(O)CH3
  656330.6894  0.0067 -3.7524 3  632.6487824  595161404512032 0    501931 0      C-13-H3C(O)CH3
  656330.6894  0.0067 -3.7524 3  632.6487824  595161404511932 0    502031 0      C-13-H3C(O)CH3
  656330.8844  0.1072 -5.9296 3 1048.8616492  595161404614219 3    604317 3      C-13-H3C(O)CH3
  656342.6686  0.0054 -3.4827 3  348.4394276  5951614043430 5 4    3329 5 4      C-13-H3C(O)CH3
  656347.8739  0.0041 -3.1816 3  348.4997552 -5951614043430 5 2    3329 5 2      C-13-H3C(O)CH3
  656363.5284  0.1267 -5.6325 3 1048.8161984  595161404614219 2    604318 2      C-13-H3C(O)CH3
  656368.0866  0.0090 -3.7525 3  632.6316824  595161404512032 1    501931 1      C-13-H3C(O)CH3
  656368.0866  0.0090 -3.7525 3  632.6316824  595161404511932 1    502031 1      C-13-H3C(O)CH3
  656371.6820  0.0093 -3.7524 3  632.6308824  595161404511932 2    502031 2      C-13-H3C(O)CH3
  656371.6820  0.0093 -3.7524 3  632.6308824  595161404512032 2    501931 2      C-13-H3C(O)CH3
  656371.8462  0.0042 -3.1815 3  348.4815552 -5951614043430 5 1    3329 5 1      C-13-H3C(O)CH3
  656377.9046  0.0040 -3.1815 3  348.5417552 -5951614043430 5 0    3329 4 0      C-13-H3C(O)CH3
  656377.9046  0.0040 -3.1815 3  348.5417552 -5951614043430 4 0    3329 5 0      C-13-H3C(O)CH3
  656386.9225  0.0060 -3.8628 3  558.4328744  595161404462422 0    452521 0      C-13-H3C(O)CH3
  656409.1333  0.0104 -4.0534 3  632.6137412  595161404511932 3    502031 3      C-13-H3C(O)CH3
  656409.1333  0.0104 -4.0534 3  632.6137412  595161404512032 3    501931 3      C-13-H3C(O)CH3
  656409.1875  0.0104 -4.0534 3  632.6136412  595161404512032 4    501931 4      C-13-H3C(O)CH3
  656409.1875  0.0104 -4.0534 3  632.6136412  595161404511932 4    502031 4      C-13-H3C(O)CH3
  656409.9430  0.0051 -4.6867 3  737.1454540  59516140467 266 3    66 265 3      C-13-H3C(O)CH3
  656409.9430  0.0051 -3.9742 3  737.1454540  59516140467 166 3    66 265 3      C-13-H3C(O)CH3
  656409.9593  0.0051 -3.8988 3  737.1454540  59516140467 266 4    66 265 4      C-13-H3C(O)CH3
  656410.0580  0.0051 -4.6867 3  737.1454540 -59516140467 166 3    66 165 3      C-13-H3C(O)CH3
  656410.0580  0.0051 -3.9742 3  737.1454540 -59516140467 266 3    66 165 3      C-13-H3C(O)CH3
  656410.0580  0.0051 -3.8988 3  737.1454540 -59516140467 166 4    66 165 4      C-13-H3C(O)CH3
  656415.4676  0.0068 -3.8630 3  558.4159744  595161404462422 1    452521 1      C-13-H3C(O)CH3
  656425.4296  0.1462 -5.6367 3 1048.8095984  595161404614220 1    604318 1      C-13-H3C(O)CH3
  656428.5928  0.0073 -3.8114 3  737.1145A80 -59516140467 166 1    66 165 1      C-13-H3C(O)CH3
  656428.5928  0.0073 -3.6556 3  737.1141A80 -59516140467 266 2    66 165 2      C-13-H3C(O)CH3
  656428.5928  0.0073 -4.4887 3  737.1141A80 -59516140467 166 2    66 165 2      C-13-H3C(O)CH3
  656428.5928  0.0073 -4.0041 3  737.1145A80 -59516140467 266 1    66 165 1      C-13-H3C(O)CH3
  656428.6092  0.0073 -3.6556 3  737.1141A80  59516140467 166 2    66 265 2      C-13-H3C(O)CH3
  656428.6092  0.0073 -4.4887 3  737.1141A80  59516140467 266 2    66 265 2      C-13-H3C(O)CH3
  656428.6644  0.0073 -4.0041 3  737.1145A80  59516140467 166 1    66 265 1      C-13-H3C(O)CH3
  656428.6644  0.0073 -3.8114 3  737.1145A80  59516140467 266 1    66 265 1      C-13-H3C(O)CH3
  656429.5463  0.1286 -5.7837 3  912.3518468  595161404583425 4    573522 4      C-13-H3C(O)CH3
  656430.7806  0.0084 -3.8631 3  558.4122744  595161404462422 2    452521 2      C-13-H3C(O)CH3
  656447.4372  0.0052 -5.7249 3  737.0832A80 -59516140467 266 0    66 265 0      C-13-H3C(O)CH3
  656447.4372  0.0052 -3.5993 3  737.0832A80 -59516140467 166 0    66 265 0      C-13-H3C(O)CH3
  656447.4372  0.0052 -3.5993 3  737.0832A80 -59516140467 266 0    66 165 0      C-13-H3C(O)CH3
  656447.4372  0.0052 -5.7249 3  737.0832A80 -59516140467 166 0    66 165 0      C-13-H3C(O)CH3
  656458.6160  0.0088 -4.1642 3  558.3953372  595161404462422 3    452521 3      C-13-H3C(O)CH3
  656459.5125  0.0089 -4.1642 3  558.3952372  595161404462422 4    452521 4      C-13-H3C(O)CH3
  656480.1591  0.1407 -5.7829 3  912.3503468  595161404583425 3    573522 3      C-13-H3C(O)CH3
  656497.7527  0.0055 -3.4824 3  348.4431276  5951614043430 5 3    3329 5 3      C-13-H3C(O)CH3
  656503.2955  0.0042 -3.1814 3  348.5032552 -5951614043430 4 2    3329 4 2      C-13-H3C(O)CH3
  656505.7258  0.1692 -6.1022 3  934.4842936  595161404583820 2    573919 2      C-13-H3C(O)CH3
  656514.9686  0.1719 -6.0214 3  934.4798936  595161404583820 1    573919 1      C-13-H3C(O)CH3
  656544.1278  0.0054 -3.4823 3  348.4595276  5951614043430 4 3    3329 4 3      C-13-H3C(O)CH3
  656573.5825  0.0042 -3.1812 3  348.5015552 -5951614043430 4 1    3329 4 1      C-13-H3C(O)CH3
  656639.3251  0.1469 -6.0243 3 1048.8503492  595161404614219 4    604318 4      C-13-H3C(O)CH3
  656666.9805  0.0876 -5.7732 3 1094.8929C88  59516140480 377 0    80 378 0      C-13-H3C(O)CH3
  656666.9805  0.0876 -6.0553 3 1094.8929C88  59516140480 477 0    80 378 0      C-13-H3C(O)CH3
  656666.9805  0.0876 -5.7732 3 1094.8929C88  59516140480 477 0    80 278 0      C-13-H3C(O)CH3
  656666.9805  0.0876 -6.0553 3 1094.8929C88  59516140480 377 0    80 278 0      C-13-H3C(O)CH3
  656698.7019  0.0060 -3.4821 3  348.4631276 -5951614043430 4 4    3329 4 4      C-13-H3C(O)CH3
  656714.5496  0.1508 -5.6844 3 1046.6608C72  59516140479 377 2    79 178 2      C-13-H3C(O)CH3
  656714.5496  0.1508 -5.6844 3 1046.6608C72  59516140479 277 2    79 278 2      C-13-H3C(O)CH3
  656714.7796  0.1500 -5.7232 3 1046.6613C72  59516140479 377 1    79 278 1      C-13-H3C(O)CH3
  656714.7796  0.1500 -5.7232 3 1046.6613C72  59516140479 277 1    79 178 1      C-13-H3C(O)CH3
  656808.4054  0.0070 -3.7993 3  715.0623968  595161404601051 0    591050 0      C-13-H3C(O)CH3
  656808.4054  0.0070 -4.2909 3  715.0623968  595161404601051 0    59 950 0      C-13-H3C(O)CH3
  656808.4054  0.0070 -3.7993 3  715.0623968  59516140460 951 0    59 950 0      C-13-H3C(O)CH3
  656808.4054  0.0070 -4.2909 3  715.0623968  59516140460 951 0    591050 0      C-13-H3C(O)CH3
  656811.7977  0.0144 -5.2957 3  715.0318968  59516140460 951 1    59 950 1      C-13-H3C(O)CH3
  656811.7977  0.0144 -3.6885 3  715.0318968  59516140460 951 1    591050 1      C-13-H3C(O)CH3
  656811.7977  0.0144 -5.2957 3  715.0318968  595161404601051 1    591050 1      C-13-H3C(O)CH3
  656811.7977  0.0144 -3.6885 3  715.0318968  595161404601051 1    59 950 1      C-13-H3C(O)CH3
  656812.2999  0.0143 -4.3630 3  715.0315968  595161404601051 2    59 950 2      C-13-H3C(O)CH3
  656812.2999  0.0143 -3.7783 3  715.0315968  595161404601051 2    591050 2      C-13-H3C(O)CH3
  656812.2999  0.0143 -3.7783 3  715.0315968  59516140460 951 2    59 950 2      C-13-H3C(O)CH3
  656812.2999  0.0143 -4.3630 3  715.0315968  59516140460 951 2    591050 2      C-13-H3C(O)CH3
  656815.6754  0.0087 -4.0649 3  715.0010484  59516140460 951 4    59 950 4      C-13-H3C(O)CH3
  656815.6754  0.0087 -4.7243 3  715.0010484  595161404601051 4    59 950 4      C-13-H3C(O)CH3
  656815.6754  0.0087 -4.7243 3  715.0010484  59516140460 951 4    591050 4      C-13-H3C(O)CH3
  656815.6754  0.0087 -4.0649 3  715.0010484  595161404601051 4    591050 4      C-13-H3C(O)CH3
  656815.7066  0.0087 -4.1210 3  715.0010484  595161404601051 3    59 950 3      C-13-H3C(O)CH3
  656815.7066  0.0087 -4.5329 3  715.0010484  595161404601051 3    591050 3      C-13-H3C(O)CH3
  656815.7066  0.0087 -4.1210 3  715.0010484  59516140460 951 3    591050 3      C-13-H3C(O)CH3
  656815.7066  0.0087 -4.5329 3  715.0010484  59516140460 951 3    59 950 3      C-13-H3C(O)CH3
  656884.2066  0.0055 -4.3163 3  225.8093244  595161404301515 3    291416 3      C-13-H3C(O)CH3
  656884.9104  0.0062 -4.3163 3  225.8093244  595161404301515 4    291416 4      C-13-H3C(O)CH3
  656957.4801  0.0050 -4.0152 3  225.8222488  595161404301515 2    291416 2      C-13-H3C(O)CH3
  657009.4708  0.0051 -4.0152 3  225.8255488  595161404301515 1    291416 1      C-13-H3C(O)CH3
  657045.8120  0.0202 -6.2231 3  648.9670808  595161404502426 0    502129 0      C-13-H3C(O)CH3
  657046.9258  0.0202 -6.2231 3  648.9670808  595161404502526 0    502229 0      C-13-H3C(O)CH3
  657082.5483  0.0049 -4.0151 3  225.8384488  595161404301515 0    291416 0      C-13-H3C(O)CH3
  657122.3922  0.0069 -5.3844 3  645.6045840  595161404521934 0    511933 0      C-13-H3C(O)CH3
  657122.3922  0.0069 -3.7492 3  645.6045840  595161404521934 0    511833 0      C-13-H3C(O)CH3
  657122.3922  0.0069 -3.7545 3  645.6045840  595161404521834 0    511933 0      C-13-H3C(O)CH3
  657122.3922  0.0069 -5.7029 3  645.6045840  595161404521834 0    511833 0      C-13-H3C(O)CH3
  657155.0864  0.0301 -6.2230 3  648.9525808  595161404502426 2    502129 2      C-13-H3C(O)CH3
  657156.3094  0.0301 -6.2230 3  648.9525808  595161404502526 2    502229 2      C-13-H3C(O)CH3
  657158.2701  0.0096 -5.2560 3  645.5867840  595161404521934 1    511933 1      C-13-H3C(O)CH3
  657158.2701  0.0096 -3.7580 3  645.5867840  595161404521934 1    511833 1      C-13-H3C(O)CH3
  657158.2701  0.0096 -6.1477 3  645.5867840  595161404521834 1    511833 1      C-13-H3C(O)CH3
  657158.2701  0.0096 -3.7461 3  645.5867840  595161404521834 1    511933 1      C-13-H3C(O)CH3
  657161.0441  0.0098 -4.1626 3  645.5861840  595161404521834 2    511833 2      C-13-H3C(O)CH3
  657161.0441  0.0098 -3.9532 3  645.5861840  595161404521834 2    511933 2      C-13-H3C(O)CH3
  657161.0441  0.0098 -3.9532 3  645.5861840  595161404521934 2    511833 2      C-13-H3C(O)CH3
  657161.0441  0.0098 -4.1626 3  645.5861840  595161404521934 2    511933 2      C-13-H3C(O)CH3
  657164.9730  0.0224 -6.2220 3  648.9534808  595161404502426 1    502129 1      C-13-H3C(O)CH3
  657166.1825  0.0224 -6.2219 3  648.9534808  595161404502526 1    502229 1      C-13-H3C(O)CH3
  657196.9737  0.0107 -4.0459 3  645.5683420  595161404521934 3    511933 3      C-13-H3C(O)CH3
  657196.9737  0.0107 -4.0459 3  645.5683420  595161404521834 3    511833 3      C-13-H3C(O)CH3
  657197.0235  0.0107 -4.2219 3  645.5682420  595161404521834 4    511933 4      C-13-H3C(O)CH3
  657197.0235  0.0107 -4.5217 3  645.5682420  595161404521934 4    511933 4      C-13-H3C(O)CH3
  657197.0235  0.0107 -4.2219 3  645.5682420  595161404521934 4    511833 4      C-13-H3C(O)CH3
  657197.0235  0.0107 -4.5217 3  645.5682420  595161404521834 4    511833 4      C-13-H3C(O)CH3
  657229.9861  0.0060 -4.3160 3  225.8089244  595161404301615 4    291316 4      C-13-H3C(O)CH3
  657230.1599  0.0052 -4.3160 3  225.8089244  595161404301615 3    291316 3      C-13-H3C(O)CH3
  657263.5589  0.3352 -6.0710 3  999.0115C56  59516140478 177 2    78 078 2      C-13-H3C(O)CH3
  657263.5589  0.3352 -6.2827 3  999.0115C56  59516140478 277 2    78 078 2      C-13-H3C(O)CH3
  657263.5589  0.3352 -6.0710 3  999.0115C56  59516140478 277 2    78 178 2      C-13-H3C(O)CH3
  657263.5589  0.3352 -6.2827 3  999.0115C56  59516140478 177 2    78 178 2      C-13-H3C(O)CH3
  657271.3845  0.3286 -6.2509 3  999.0117C56  59516140478 277 1    78 178 1      C-13-H3C(O)CH3
  657271.3845  0.3286 -6.2509 3  999.0117C56  59516140478 177 1    78 078 1      C-13-H3C(O)CH3
  657271.3845  0.3286 -6.0920 3  999.0117C56  59516140478 177 1    78 178 1      C-13-H3C(O)CH3
  657271.3845  0.3286 -6.0920 3  999.0117C56  59516140478 277 1    78 078 1      C-13-H3C(O)CH3
  657278.9487  0.0057 -3.8614 3  558.4100744 -595161404462522 0    452421 0      C-13-H3C(O)CH3
  657309.2863  0.0050 -4.0149 3  225.8218488  595161404301615 2    291316 2      C-13-H3C(O)CH3
  657332.2738  0.0066 -3.8615 3  558.3925744  595161404462522 1    452421 1      C-13-H3C(O)CH3
  657350.5503  0.0050 -4.0149 3  225.8252488  595161404301615 1    291316 1      C-13-H3C(O)CH3
  657365.2484  0.0065 -3.8616 3  558.3883744  595161404462522 2    452421 2      C-13-H3C(O)CH3
  657418.3725  0.0071 -4.1627 3  558.3708372  595161404462522 4    452421 4      C-13-H3C(O)CH3
  657419.3075  0.0073 -4.1627 3  558.3708372  595161404462522 3    452421 3      C-13-H3C(O)CH3
  657429.5964  0.0049 -4.0148 3  225.8381488  595161404301615 0    291316 0      C-13-H3C(O)CH3
  657494.7935  0.1202 -6.1078 3 1219.2671A48  595161404654818 0    644915 0      C-13-H3C(O)CH3
  657494.7960  0.1202 -6.1078 3 1219.2671A48  595161404654817 0    644916 0      C-13-H3C(O)CH3
  657503.4294  0.1114 -6.0565 3 1046.6382C72  59516140479 377 0    79 278 0      C-13-H3C(O)CH3
  657503.4294  0.1114 -6.0565 3 1046.6382C72  59516140479 277 0    79 178 0      C-13-H3C(O)CH3
  657503.4294  0.1114 -5.8877 3 1046.6382C72  59516140479 377 0    79 178 0      C-13-H3C(O)CH3
  657503.4294  0.1114 -5.8877 3 1046.6382C72  59516140479 277 0    79 278 0      C-13-H3C(O)CH3
  657590.3827  0.1867 -5.1516 3  739.2326420  595161404523220 3    513319 3      C-13-H3C(O)CH3
  657603.7892  0.0082 -3.8892 3  740.2214548 -59516140468 068 3    67 067 3      C-13-H3C(O)CH3
  657603.7892  0.0082 -4.2911 3  740.2214548 -59516140468 068 4    67 167 4      C-13-H3C(O)CH3
  657603.7892  0.0082 -6.2730 3  740.2214548 -59516140468 168 3    67 067 3      C-13-H3C(O)CH3
  657603.7892  0.0082 -4.1055 3  740.2214548 -59516140468 168 4    67 167 4      C-13-H3C(O)CH3
  657603.8332  0.0082 -4.1055 3  740.2214548  59516140468 068 4    67 067 4      C-13-H3C(O)CH3
  657603.8332  0.0082 -4.2911 3  740.2214548  59516140468 168 4    67 067 4      C-13-H3C(O)CH3
  657603.8497  0.0082 -6.2730 3  740.2214548  59516140468 068 3    67 167 3      C-13-H3C(O)CH3
  657603.8497  0.0082 -3.8892 3  740.2214548  59516140468 168 3    67 167 3      C-13-H3C(O)CH3
  657606.9499  0.0139 -4.4193 3  740.1574A96 -59516140468 168 2    67 167 2      C-13-H3C(O)CH3
  657606.9499  0.0139 -3.6553 3  740.1574A96 -59516140468 168 2    67 067 2      C-13-H3C(O)CH3
  657606.9499  0.0136 -4.4069 3  740.1577A96 -59516140468 068 1    67 067 1      C-13-H3C(O)CH3
  657606.9499  0.0136 -3.6575 3  740.1577A96 -59516140468 168 1    67 067 1      C-13-H3C(O)CH3
  657606.9499  0.0139 -4.4193 3  740.1574A96 -59516140468 068 2    67 067 2      C-13-H3C(O)CH3
  657606.9499  0.0139 -3.6553 3  740.1574A96 -59516140468 068 2    67 167 2      C-13-H3C(O)CH3
  657606.9499  0.0136 -4.4798 3  740.1577A96 -59516140468 168 1    67 167 1      C-13-H3C(O)CH3
  657606.9499  0.0136 -3.6457 3  740.1577A96 -59516140468 068 1    67 167 1      C-13-H3C(O)CH3
  657610.4151  0.0097 -3.8213 3  740.0938A96  59516140468 168 0    67 167 0      C-13-H3C(O)CH3
  657610.4151  0.0097 -3.9649 3  740.0938A96  59516140468 068 0    67 167 0      C-13-H3C(O)CH3
  657610.4584  0.0097 -3.9649 3  740.0938A96 -59516140468 168 0    67 067 0      C-13-H3C(O)CH3
  657610.4584  0.0097 -3.8213 3  740.0938A96 -59516140468 068 0    67 067 0      C-13-H3C(O)CH3
  657654.9727  0.1361 -6.1079 3 1219.3122A48  595161404654817 2    644915 2      C-13-H3C(O)CH3
  657718.1120  0.1218 -6.1078 3 1219.2659A48  595161404654818 1    644916 1      C-13-H3C(O)CH3
  657734.3679  0.1297 -6.1077 3 1219.3047A48  595161404654817 1    644915 1      C-13-H3C(O)CH3
  657770.2917  0.0051 -3.5704 3  353.5923284  5951614043528 8 4    3427 8 4      C-13-H3C(O)CH3
  657777.5964  0.0042 -3.2693 3  353.6186568 -5951614043528 8 1    3427 8 1      C-13-H3C(O)CH3
  657782.8732  0.1166 -6.1079 3 1219.2683A48  595161404654818 2    644916 2      C-13-H3C(O)CH3
  657805.2419  0.0041 -3.2692 3  353.6354568 -5951614043528 8 2    3427 8 2      C-13-H3C(O)CH3
  657812.8713  0.0036 -3.2691 3  353.6614568 -5951614043528 8 0    3427 7 0      C-13-H3C(O)CH3
  657812.8713  0.0036 -3.2691 3  353.6614568 -5951614043528 7 0    3427 8 0      C-13-H3C(O)CH3
  657870.5213  0.0415 -5.7422 3  360.7157292  595161404362611 4    352510 4      C-13-H3C(O)CH3
  657882.0634  0.0049 -3.5704 3  353.5963284  5951614043528 8 3    3427 8 3      C-13-H3C(O)CH3
  657916.4348  0.0039 -3.2692 3  353.6392568 -5951614043528 7 2    3427 7 2      C-13-H3C(O)CH3
  657927.1249  0.0082 -4.3372 3  722.3807492  59516140461 853 4    60 952 4      C-13-H3C(O)CH3
  657927.1249  0.0082 -4.2200 3  722.3807492  59516140461 853 4    60 852 4      C-13-H3C(O)CH3
  657927.1249  0.0082 -4.3372 3  722.3807492  59516140461 953 4    60 852 4      C-13-H3C(O)CH3
  657927.1249  0.0082 -4.2200 3  722.3807492  59516140461 953 4    60 952 4      C-13-H3C(O)CH3
  657927.1654  0.0082 -5.3316 3  722.3807492  59516140461 953 3    60 852 3      C-13-H3C(O)CH3
  657927.1654  0.0082 -3.9931 3  722.3807492  59516140461 953 3    60 952 3      C-13-H3C(O)CH3
  657927.1654  0.0082 -3.9931 3  722.3807492  59516140461 853 3    60 852 3      C-13-H3C(O)CH3
  657927.1654  0.0082 -5.3316 3  722.3807492  59516140461 853 3    60 952 3      C-13-H3C(O)CH3
  657928.9933  0.0143 -4.0922 3  722.4119984  59516140461 953 1    60 852 1      C-13-H3C(O)CH3
  657928.9933  0.0143 -3.8807 3  722.4119984  59516140461 953 1    60 952 1      C-13-H3C(O)CH3
  657928.9933  0.0143 -3.8807 3  722.4119984  59516140461 853 1    60 852 1      C-13-H3C(O)CH3
  657928.9933  0.0143 -4.0922 3  722.4119984  59516140461 853 1    60 952 1      C-13-H3C(O)CH3
  657929.4448  0.0141 -4.1534 3  722.4117984  59516140461 953 2    60 852 2      C-13-H3C(O)CH3
  657929.4448  0.0141 -3.8469 3  722.4117984  59516140461 953 2    60 952 2      C-13-H3C(O)CH3
  657929.4448  0.0141 -3.8469 3  722.4117984  59516140461 853 2    60 852 2      C-13-H3C(O)CH3
  657929.4448  0.0141 -4.1534 3  722.4117984  59516140461 853 2    60 952 2      C-13-H3C(O)CH3
  657931.2814  0.0070 -5.4448 3  722.4429984  59516140461 953 0    60 852 0      C-13-H3C(O)CH3
  657931.2814  0.0070 -3.6801 3  722.4429984  59516140461 953 0    60 952 0      C-13-H3C(O)CH3
  657931.2814  0.0070 -3.6801 3  722.4429984  59516140461 853 0    60 852 0      C-13-H3C(O)CH3
  657931.2814  0.0070 -5.4448 3  722.4429984  59516140461 853 0    60 952 0      C-13-H3C(O)CH3
  657948.3952  0.0047 -3.5701 3  353.5984284  5951614043528 7 3    3427 7 3      C-13-H3C(O)CH3
  657955.0705  0.0038 -3.2690 3  353.6246568 -5951614043528 7 1    3427 7 1      C-13-H3C(O)CH3
  657962.1089  0.0350 -5.3250 3  360.7436584  595161404362611 2    352510 2      C-13-H3C(O)CH3
  658000.0383  0.0070 -6.2204 3  657.9827856  595161404531836 0    521835 0      C-13-H3C(O)CH3
  658000.0383  0.0070 -3.7393 3  657.9827856  595161404531836 0    521735 0      C-13-H3C(O)CH3
  658000.0383  0.0070 -6.2204 3  657.9827856  595161404531736 0    521735 0      C-13-H3C(O)CH3
  658000.0383  0.0070 -3.7393 3  657.9827856  595161404531736 0    521835 0      C-13-H3C(O)CH3
  658034.0750  0.0101 -3.8000 3  657.9639856  595161404531736 1    521735 1      C-13-H3C(O)CH3
  658034.0750  0.0101 -5.7102 3  657.9639856  595161404531736 1    521835 1      C-13-H3C(O)CH3
  658034.0750  0.0101 -3.7425 3  657.9639856  595161404531836 1    521835 1      C-13-H3C(O)CH3
  658034.0750  0.0101 -4.6126 3  657.9639856  595161404531836 1    521735 1      C-13-H3C(O)CH3
  658036.2437  0.0103 -3.8892 3  657.9634856  595161404531736 2    521735 2      C-13-H3C(O)CH3
  658036.2437  0.0103 -3.8892 3  657.9634856  595161404531836 2    521835 2      C-13-H3C(O)CH3
  658036.2437  0.0103 -4.2691 3  657.9634856  595161404531836 2    521735 2      C-13-H3C(O)CH3
  658036.2437  0.0103 -4.2691 3  657.9634856  595161404531736 2    521835 2      C-13-H3C(O)CH3
  658059.2630  0.0050 -3.5701 3  353.6024284  5951614043528 7 4    3427 7 4      C-13-H3C(O)CH3
  658070.3293  0.0110 -4.4282 3  657.9446428  595161404531836 3    521735 3      C-13-H3C(O)CH3
  658070.3293  0.0110 -4.2665 3  657.9446428  595161404531836 3    521835 3      C-13-H3C(O)CH3
  658070.3293  0.0110 -4.2665 3  657.9446428  595161404531736 3    521735 3      C-13-H3C(O)CH3
  658070.3293  0.0110 -4.4282 3  657.9446428  595161404531736 3    521835 3      C-13-H3C(O)CH3
  658070.3736  0.0110 -4.2766 3  657.9446428  595161404531836 4    521835 4      C-13-H3C(O)CH3
  658070.3736  0.0110 -4.4139 3  657.9446428  595161404531736 4    521835 4      C-13-H3C(O)CH3
  658070.3736  0.0110 -4.4139 3  657.9446428  595161404531836 4    521735 4      C-13-H3C(O)CH3
  658070.3736  0.0110 -4.2766 3  657.9446428  595161404531736 4    521735 4      C-13-H3C(O)CH3
  658107.2393  0.0408 -5.4309 3  360.7143292  595161404362611 3    352510 3      C-13-H3C(O)CH3
  658123.9911  0.0178 -4.6653 3  239.0496244  595161404302011 4    291712 4      C-13-H3C(O)CH3
  658126.5294  0.1476 -5.2107 3  739.2165420  595161404523220 4    513319 4      C-13-H3C(O)CH3
  658149.7413  0.0144 -4.3626 3  239.0687488  595161404302011 1    291712 1      C-13-H3C(O)CH3
  658149.9867  0.4733 -6.2845 3 1752.4007E96  595161404931578 2    931479 2      C-13-H3C(O)CH3
  658149.9867  0.4733 -6.2845 3 1752.4007E96  595161404931678 2    931579 2      C-13-H3C(O)CH3
  658164.3220  0.0161 -4.6626 3  239.0493244  595161404302011 3    291712 3      C-13-H3C(O)CH3
  658233.2011  0.0068 -5.0785 3  190.2899220  5951614042718 9 3    261512 3      C-13-H3C(O)CH3
  658256.0494  0.0173 -3.9156 3  360.7258584  595161404362611 1    352510 1      C-13-H3C(O)CH3
  658320.9611  0.0040 -3.3918 3  360.7538584 -595161404362611 0    352510 0      C-13-H3C(O)CH3
  658338.6844  0.0069 -3.5466 3  360.7230584 -595161404362611 1    352511 1      C-13-H3C(O)CH3
  658341.7876  0.0052 -3.6968 3  360.7000292  595161404362611 4    352511 4      C-13-H3C(O)CH3
  658353.4208  0.0069 -5.0914 3  190.2898220  5951614042718 9 4    261512 4      C-13-H3C(O)CH3
  658392.0174  0.0045 -3.3967 3  360.7292584 -595161404362611 2    352511 2      C-13-H3C(O)CH3
  658404.2640  0.0068 -4.7820 3  190.2996440  5951614042718 9 1    261512 1      C-13-H3C(O)CH3
  658418.6062  0.0041 -5.8323 3  370.1764300  595161404372414 4    362314 4      C-13-H3C(O)CH3
  658418.8784  0.0039 -3.3917 3  360.7515584 -595161404362610 0    352511 0      C-13-H3C(O)CH3
  658420.3246  0.0040 -5.7043 3  370.1976600  595161404372414 2    362314 2      C-13-H3C(O)CH3
  658431.0543  0.0051 -3.7012 3  360.7143292  595161404362610 3    352510 3      C-13-H3C(O)CH3
  658437.7439  0.2245 -6.0343 3  998.9490C56  59516140478 277 0    78 178 0      C-13-H3C(O)CH3
  658437.7439  0.2245 -6.0315 3  998.9490C56  59516140478 177 0    78 078 0      C-13-H3C(O)CH3
  658438.5121  0.0092 -6.1112 3  115.4671360  595161404221210 2    21 913 2      C-13-H3C(O)CH3
  658441.0304  0.0042 -6.2549 3  370.1767300  595161404372414 3    362314 3      C-13-H3C(O)CH3
  658452.5914  0.0071 -3.5465 3  360.7258584 -595161404362610 1    352510 1      C-13-H3C(O)CH3
  658476.0376  0.0068 -4.7772 3  190.2946440  5951614042718 9 2    261512 2      C-13-H3C(O)CH3
  658480.4553  0.0043 -3.3969 3  360.7436584 -595161404362610 2    352510 2      C-13-H3C(O)CH3
  658493.5679  0.0048 -3.7007 3  360.7015292  595161404362611 3    352511 3      C-13-H3C(O)CH3
  658502.6108  0.1692 -4.8708 3  739.2146840  595161404523220 2    513319 2      C-13-H3C(O)CH3
  658535.3027  0.0179 -3.9153 3  360.7230584 -595161404362610 1    352511 1      C-13-H3C(O)CH3
  658582.9681  0.0047 -3.6969 3  360.7157292  595161404362610 4    352510 4      C-13-H3C(O)CH3
  658583.8458  0.0074 -4.7750 3  190.3044440  5951614042718 9 0    261512 0      C-13-H3C(O)CH3
  658611.8589  0.3576 -6.1973 3 1696.6520E80  595161404921478 0    921379 0      C-13-H3C(O)CH3
  658611.8589  0.3576 -6.1973 3 1696.6520E80  595161404921578 0    921479 0      C-13-H3C(O)CH3
  658635.0255  0.0090 -6.1117 3  115.4689360  595161404221210 1    21 913 1      C-13-H3C(O)CH3
  658636.5937  0.0064 -4.5403 3  177.2273228  595161404281018 4    27 919 4      C-13-H3C(O)CH3
  658636.6042  0.0064 -4.5403 3  177.2273228  595161404281118 4    27 819 4      C-13-H3C(O)CH3
  658636.8729  0.0050 -4.5403 3  177.2273228  595161404281018 3    27 919 3      C-13-H3C(O)CH3
  658636.8835  0.0050 -4.5403 3  177.2273228  595161404281118 3    27 819 3      C-13-H3C(O)CH3
  658652.4735  0.0534 -6.3106 3  832.3287904  595161404562927 0    562630 0      C-13-H3C(O)CH3
  658677.0210  0.0744 -6.3104 3  832.3313904  595161404562927 2    562630 2      C-13-H3C(O)CH3
  658677.1312  0.0572 -6.3100 3  832.3311904  595161404562927 1    562630 1      C-13-H3C(O)CH3
  658692.5518  0.0534 -6.3105 3  832.3287904  595161404563027 0    562730 0      C-13-H3C(O)CH3
  658710.7014  0.4472 -6.2420 3 1696.6667E80  595161404921578 1    921479 1      C-13-H3C(O)CH3
  658710.7014  0.4472 -6.2420 3 1696.6667E80  595161404921478 1    921379 1      C-13-H3C(O)CH3
  658713.4936  0.0133 -4.3625 3  239.0723488  595161404302011 0    291712 0      C-13-H3C(O)CH3
  658717.3999  0.1055 -4.8617 3  739.2125840  595161404523220 1    513319 1      C-13-H3C(O)CH3
  658718.4023  0.0135 -4.3628 3  239.0530488  595161404302011 2    291712 2      C-13-H3C(O)CH3
  658719.2619  0.4471 -6.1941 3 1696.6668E80  595161404921578 2    921479 2      C-13-H3C(O)CH3
  658719.2619  0.4471 -6.1941 3 1696.6668E80  595161404921478 2    921379 2      C-13-H3C(O)CH3
  658719.8844  0.0736 -6.3104 3  832.3313904  595161404563027 2    562730 2      C-13-H3C(O)CH3
  658720.2297  0.0572 -6.3099 3  832.3311904  595161404563027 1    562730 1      C-13-H3C(O)CH3
  658737.7250  0.0089 -6.1094 3  115.4511360  595161404221210 0    21 913 0      C-13-H3C(O)CH3
  658817.3829  0.0413 -5.4302 3  360.7015292  595161404362610 3    352511 3      C-13-H3C(O)CH3
  658895.3140  0.0046 -4.2389 3  177.2246456  595161404281018 2    27 919 2      C-13-H3C(O)CH3
  658895.3248  0.0046 -4.2389 3  177.2246456  595161404281118 2    27 819 2      C-13-H3C(O)CH3
  658910.4553  0.0362 -5.3242 3  360.7292584  595161404362610 2    352511 2      C-13-H3C(O)CH3
  658912.2562  0.0047 -4.2390 3  177.2259456  595161404281018 1    27 919 1      C-13-H3C(O)CH3
  658912.2663  0.0047 -4.2390 3  177.2259456  595161404281118 1    27 819 1      C-13-H3C(O)CH3
  658939.0562  0.0071 -4.9075 3  669.7924872  595161404541738 0    531637 0      C-13-H3C(O)CH3
  658939.0562  0.0071 -4.2581 3  669.7924872  595161404541638 0    531737 0      C-13-H3C(O)CH3
  658939.0562  0.0071 -3.7624 3  669.7924872  595161404541638 0    531637 0      C-13-H3C(O)CH3
  658939.0562  0.0071 -3.8861 3  669.7924872  595161404541738 0    531737 0      C-13-H3C(O)CH3
  658970.9193  0.0107 -3.7862 3  669.7725872  595161404541738 1    531737 1      C-13-H3C(O)CH3
  658970.9193  0.0107 -4.6653 3  669.7725872  595161404541638 1    531737 1      C-13-H3C(O)CH3
  658970.9193  0.0107 -3.7862 3  669.7725872  595161404541638 1    531637 1      C-13-H3C(O)CH3
  658970.9193  0.0107 -4.6653 3  669.7725872  595161404541738 1    531637 1      C-13-H3C(O)CH3
  658972.6305  0.0108 -5.6493 3  669.7720872  595161404541638 2    531637 2      C-13-H3C(O)CH3
  658972.6305  0.0108 -3.7376 3  669.7720872  595161404541638 2    531737 2      C-13-H3C(O)CH3
  658972.6305  0.0108 -5.6493 3  669.7720872  595161404541738 2    531737 2      C-13-H3C(O)CH3
  658972.6305  0.0108 -3.7376 3  669.7720872  595161404541738 2    531637 2      C-13-H3C(O)CH3
  659004.5393  0.0111 -4.0425 3  669.7521436  595161404541638 3    531637 3      C-13-H3C(O)CH3
  659004.5393  0.0111 -5.7119 3  669.7521436  595161404541738 3    531637 3      C-13-H3C(O)CH3
  659004.5393  0.0111 -4.0425 3  669.7521436  595161404541738 3    531737 3      C-13-H3C(O)CH3
  659004.5393  0.0111 -5.7119 3  669.7521436  595161404541638 3    531737 3      C-13-H3C(O)CH3
  659004.5771  0.0111 -4.8835 3  669.7521436  595161404541638 4    531637 4      C-13-H3C(O)CH3
  659004.5771  0.0111 -4.0994 3  669.7521436  595161404541738 4    531637 4      C-13-H3C(O)CH3
  659004.5771  0.0111 -4.8835 3  669.7521436  595161404541738 4    531737 4      C-13-H3C(O)CH3
  659004.5771  0.0111 -4.0994 3  669.7521436  595161404541638 4    531737 4      C-13-H3C(O)CH3
  659048.7542  0.0075 -3.9712 3  729.2216500  59516140462 755 4    61 754 4      C-13-H3C(O)CH3
  659048.7542  0.0075 -6.0958 3  729.2216500  59516140462 755 4    61 854 4      C-13-H3C(O)CH3
  659048.7542  0.0075 -3.9712 3  729.2216500  59516140462 855 4    61 854 4      C-13-H3C(O)CH3
  659048.7542  0.0075 -6.0958 3  729.2216500  59516140462 855 4    61 754 4      C-13-H3C(O)CH3
  659048.8019  0.0075 -4.5866 3  729.2216500  59516140462 755 3    61 754 3      C-13-H3C(O)CH3
  659048.8019  0.0075 -4.0876 3  729.2216500  59516140462 755 3    61 854 3      C-13-H3C(O)CH3
  659048.8019  0.0075 -4.5866 3  729.2216500  59516140462 855 3    61 854 3      C-13-H3C(O)CH3
  659048.8019  0.0075 -4.0876 3  729.2216500  59516140462 855 3    61 754 3      C-13-H3C(O)CH3
  659054.2345  0.0431 -5.7411 3  360.7000292  595161404362610 4    352511 4      C-13-H3C(O)CH3
  659056.6207  0.0135 -4.1854 3  729.2524A00  59516140462 855 1    61 754 1      C-13-H3C(O)CH3
  659056.6207  0.0135 -3.8239 3  729.2524A00  59516140462 855 1    61 854 1      C-13-H3C(O)CH3
  659056.6207  0.0135 -4.1854 3  729.2524A00  59516140462 755 1    61 854 1      C-13-H3C(O)CH3
  659056.6207  0.0135 -3.8239 3  729.2524A00  59516140462 755 1    61 754 1      C-13-H3C(O)CH3
  659057.0268  0.0133 -5.5383 3  729.2522A00  59516140462 755 2    61 754 2      C-13-H3C(O)CH3
  659057.0268  0.0133 -3.6729 3  729.2522A00  59516140462 755 2    61 854 2      C-13-H3C(O)CH3
  659057.0268  0.0133 -5.5383 3  729.2522A00  59516140462 855 2    61 854 2      C-13-H3C(O)CH3
  659057.0268  0.0133 -3.6729 3  729.2522A00  59516140462 855 2    61 754 2      C-13-H3C(O)CH3
  659064.7212  0.0068 -3.7972 3  729.2829A00 -59516140462 755 0    61 854 0      C-13-H3C(O)CH3
  659064.7212  0.0068 -4.2539 3  729.2829A00 -59516140462 855 0    61 854 0      C-13-H3C(O)CH3
  659064.7212  0.0068 -3.7972 3  729.2829A00 -59516140462 855 0    61 754 0      C-13-H3C(O)CH3
  659064.7212  0.0068 -4.2539 3  729.2829A00 -59516140462 755 0    61 754 0      C-13-H3C(O)CH3
  659137.5783  0.3220 -6.1766 3 1641.4962E64  595161404911478 0    911279 0      C-13-H3C(O)CH3
  659137.5783  0.3220 -6.1766 3 1641.4962E64  595161404911378 0    911379 0      C-13-H3C(O)CH3
  659170.1878  0.0047 -4.2384 3  177.2232456  595161404281018 0    27 919 0      C-13-H3C(O)CH3
  659170.1981  0.0047 -4.2384 3  177.2232456  595161404281118 0    27 819 0      C-13-H3C(O)CH3
  659202.6920  0.0061 -4.2798 3  247.7206252  595161404311814 4    301515 4      C-13-H3C(O)CH3
  659204.8858  0.0056 -4.2798 3  247.7206252  595161404311814 3    301515 3      C-13-H3C(O)CH3
  659245.5734  0.0055 -3.9790 3  247.7359504  595161404311814 2    301515 2      C-13-H3C(O)CH3
  659267.2624  0.0055 -3.9788 3  247.7410504  595161404311814 1    301515 1      C-13-H3C(O)CH3
  659270.0772  0.3992 -6.1101 3 1641.5055E64  595161404911478 1    911379 1      C-13-H3C(O)CH3
  659270.0772  0.3992 -6.1101 3 1641.5055E64  595161404911378 1    911279 1      C-13-H3C(O)CH3
  659275.6899  0.4024 -6.1328 3 1641.5054E64  595161404911478 2    911279 2      C-13-H3C(O)CH3
  659275.6899  0.4024 -6.1328 3 1641.5054E64  595161404911378 2    911379 2      C-13-H3C(O)CH3
  659308.1710  0.0056 -3.9790 3  247.7563504  595161404311814 0    301515 0      C-13-H3C(O)CH3
  659351.0742  0.1157 -4.8469 3  739.2031840  595161404523220 0    513319 0      C-13-H3C(O)CH3
  659570.1252  0.0122 -4.1599 3  254.2183504  595161404312012 1    301713 1      C-13-H3C(O)CH3
  659612.2220  0.0121 -4.4611 3  254.1963252  595161404312012 4    301713 4      C-13-H3C(O)CH3
  659626.5432  0.0140 -4.4615 3  254.1959252  595161404312012 3    301713 3      C-13-H3C(O)CH3
  659704.8320  0.0128 -5.6549 3  159.5003196  5951614042420 4 3    2317 6 3      C-13-H3C(O)CH3
  659792.3916  0.0156 -5.6349 3  159.5442196  5951614042420 4 4    2317 6 4      C-13-H3C(O)CH3
  659817.5785  0.3364 -6.0485 3 1586.9176E48  595161404901378 1    901179 1      C-13-H3C(O)CH3
  659817.5785  0.3364 -6.0485 3 1586.9176E48  595161404901278 1    901279 1      C-13-H3C(O)CH3
  659820.4641  0.3417 -6.0322 3 1586.9173E48  595161404901378 2    901179 2      C-13-H3C(O)CH3
  659820.4641  0.3417 -6.0322 3 1586.9173E48  595161404901278 2    901279 2      C-13-H3C(O)CH3
  659860.4189  0.0182 -3.8783 3  451.8732664  595161404412517 0    402416 0      C-13-H3C(O)CH3
  659892.6732  0.0114 -4.1622 3  254.2274504  595161404312012 0    301713 0      C-13-H3C(O)CH3
  659923.3465  0.0071 -3.7283 3  681.0407888  595161404551640 0    541639 0      C-13-H3C(O)CH3
  659923.3465  0.0071 -3.7283 3  681.0407888  595161404551540 0    541539 0      C-13-H3C(O)CH3
  659950.0334  0.0115 -4.1627 3  254.2050504  595161404312012 2    301713 2      C-13-H3C(O)CH3
  659950.3035  0.0176 -3.8780 3  451.8521664  595161404412517 1    402416 1      C-13-H3C(O)CH3
  659952.6799  0.0114 -4.0923 3  681.0195888  595161404551540 1    541639 1      C-13-H3C(O)CH3
  659952.6799  0.0114 -4.0923 3  681.0195888  595161404551640 1    541539 1      C-13-H3C(O)CH3
  659952.6799  0.0114 -3.9731 3  681.0195888  595161404551540 1    541539 1      C-13-H3C(O)CH3
  659952.6799  0.0114 -3.9731 3  681.0195888  595161404551640 1    541639 1      C-13-H3C(O)CH3
  659953.1432  0.1653 -5.7063 3  969.4342476  595161404593921 4    584019 4      C-13-H3C(O)CH3
  659954.0395  0.0114 -3.9627 3  681.0191888  595161404551540 2    541539 2      C-13-H3C(O)CH3
  659954.0395  0.0114 -3.9627 3  681.0191888  595161404551640 2    541639 2      C-13-H3C(O)CH3
  659954.0395  0.0114 -4.1064 3  681.0191888  595161404551640 2    541539 2      C-13-H3C(O)CH3
  659954.0395  0.0114 -4.1064 3  681.0191888  595161404551540 2    541639 2      C-13-H3C(O)CH3
  659960.3126  0.0130 -5.6274 3  159.4433196  5951614042420 5 4    2317 7 4      C-13-H3C(O)CH3
  659983.4151  0.0112 -4.3405 3  680.9979444  595161404551640 3    541539 3      C-13-H3C(O)CH3
  659983.4151  0.0112 -4.3189 3  680.9979444  595161404551540 3    541539 3      C-13-H3C(O)CH3
  659983.4151  0.0112 -4.3189 3  680.9979444  595161404551640 3    541639 3      C-13-H3C(O)CH3
  659983.4151  0.0112 -4.3405 3  680.9979444  595161404551540 3    541639 3      C-13-H3C(O)CH3
  659983.4456  0.0112 -4.0612 3  680.9978444  595161404551640 4    541639 4      C-13-H3C(O)CH3
  659983.4456  0.0112 -5.1685 3  680.9978444  595161404551640 4    541539 4      C-13-H3C(O)CH3
  659983.4456  0.0112 -4.0882 3  680.9978444  595161404551540 4    541639 4      C-13-H3C(O)CH3
  659983.4456  0.0112 -4.9201 3  680.9978444  595161404551540 4    541539 4      C-13-H3C(O)CH3
  660030.7220  0.0138 -6.2706 3  126.4591360  5951614042217 6 0    2112 9 0      C-13-H3C(O)CH3
  660043.1945  0.0130 -5.6560 3  159.4873196  5951614042420 5 3    2317 7 3      C-13-H3C(O)CH3
  660065.4899  0.2453 -5.5901 3  860.8010452  595161404563522 4    553619 4      C-13-H3C(O)CH3
  660100.4468  0.2199 -6.0289 3  969.4474476  595161404593921 3    584018 3      C-13-H3C(O)CH3
  660167.6710  0.2275 -5.9613 3 1532.9082E32  595161404891178 0    891079 0      C-13-H3C(O)CH3
  660167.6710  0.2275 -5.9613 3 1532.9082E32  595161404891278 0    891179 0      C-13-H3C(O)CH3
  660179.9488  0.0068 -4.2651 3  735.5253508 -59516140463 757 4    62 656 4      C-13-H3C(O)CH3
  660179.9488  0.0068 -4.2651 3  735.5253508 -59516140463 657 4    62 756 4      C-13-H3C(O)CH3
  660179.9488  0.0068 -4.2609 3  735.5253508 -59516140463 757 4    62 756 4      C-13-H3C(O)CH3
  660179.9488  0.0068 -5.6538 3  735.5253508 -59516140463 657 3    62 656 3      C-13-H3C(O)CH3
  660179.9488  0.0068 -3.9709 3  735.5253508 -59516140463 757 3    62 656 3      C-13-H3C(O)CH3
  660179.9488  0.0068 -5.6538 3  735.5253508 -59516140463 757 3    62 756 3      C-13-H3C(O)CH3
  660179.9488  0.0068 -3.9709 3  735.5253508 -59516140463 657 3    62 756 3      C-13-H3C(O)CH3
  660179.9488  0.0068 -4.2609 3  735.5253508 -59516140463 657 4    62 656 4      C-13-H3C(O)CH3
  660193.8417  0.0119 -4.9060 3  735.5544A16  59516140463 757 1    62 656 1      C-13-H3C(O)CH3
  660193.8417  0.0119 -4.9060 3  735.5544A16  59516140463 657 1    62 756 1      C-13-H3C(O)CH3
  660194.1795  0.0117 -3.7108 3  735.5541A16 -59516140463 657 2    62 756 2      C-13-H3C(O)CH3
  660194.1795  0.0117 -3.7108 3  735.5541A16 -59516140463 757 2    62 656 2      C-13-H3C(O)CH3
  660194.1795  0.0117 -4.6265 3  735.5541A16 -59516140463 757 2    62 756 2      C-13-H3C(O)CH3
  660194.1795  0.0119 -3.6864 3  735.5544A16 -59516140463 657 1    62 656 1      C-13-H3C(O)CH3
  660194.1795  0.0117 -4.6265 3  735.5541A16 -59516140463 657 2    62 656 2      C-13-H3C(O)CH3
  660194.1795  0.0119 -3.6864 3  735.5544A16 -59516140463 757 1    62 756 1      C-13-H3C(O)CH3
  660199.9930  0.1400 -5.9652 3  969.4441476  595161404593921 3    584019 3      C-13-H3C(O)CH3
  660200.0667  0.1506 -5.4297 3  969.3984952  595161404593921 2    584019 2      C-13-H3C(O)CH3
  660207.9439  0.0063 -3.6898 3  735.5831A16 -59516140463 757 0    62 756 0      C-13-H3C(O)CH3
  660207.9439  0.0063 -4.8543 3  735.5831A16 -59516140463 757 0    62 656 0      C-13-H3C(O)CH3
  660207.9439  0.0063 -4.8543 3  735.5831A16 -59516140463 657 0    62 756 0      C-13-H3C(O)CH3
  660207.9439  0.0063 -3.6898 3  735.5831A16 -59516140463 657 0    62 656 0      C-13-H3C(O)CH3
  660277.0494  0.0117 -5.3339 3  159.5326392  5951614042420 4 1    2317 6 1      C-13-H3C(O)CH3
  660311.5545  0.1412 -5.4406 3  969.3939952  595161404593921 1    584019 1      C-13-H3C(O)CH3
  660333.4448  0.0257 -3.8771 3  451.8354664  595161404412517 2    402416 2      C-13-H3C(O)CH3
  660354.3390  0.2642 -6.0935 3 1532.9036E32  595161404891178 1    891079 1      C-13-H3C(O)CH3
  660354.3390  0.2642 -6.0935 3 1532.9036E32  595161404891278 1    891179 1      C-13-H3C(O)CH3
  660354.9730  0.2700 -5.9629 3 1532.9033E32  595161404891278 2    891179 2      C-13-H3C(O)CH3
  660354.9730  0.2700 -5.9629 3 1532.9033E32  595161404891178 2    891079 2      C-13-H3C(O)CH3
  660409.7507  0.0256 -4.1779 3  451.8144332  595161404412517 4    402416 4      C-13-H3C(O)CH3
  660414.3636  0.1434 -5.3941 3  969.3584952  595161404593921 0    584018 0      C-13-H3C(O)CH3
  660427.5999  0.0267 -4.1777 3  451.8143332  595161404412517 3    402416 3      C-13-H3C(O)CH3
  660510.0046  0.0112 -5.3307 3  159.4763392  5951614042420 5 1    2317 7 1      C-13-H3C(O)CH3
  660541.8388  0.1709 -6.2620 3 1532.8987716  595161404891178 3    891179 3      C-13-H3C(O)CH3
  660541.8388  0.1709 -6.2620 3 1532.8987716  595161404891278 3    891079 3      C-13-H3C(O)CH3
  660553.4333  0.0114 -5.3328 3  159.4893392  5951614042420 5 2    2317 7 2      C-13-H3C(O)CH3
  660576.3999  0.1604 -5.9649 3  969.4474476  595161404593920 3    584018 3      C-13-H3C(O)CH3
  660614.0613  0.0111 -5.3371 3  159.5341392  5951614042420 4 2    2317 6 2      C-13-H3C(O)CH3
  660633.6116  0.0071 -3.0944 3  351.4837536 -5951614043333 1 2    3232 1 2      C-13-H3C(O)CH3
  660645.4374  0.0065 -3.0945 3  351.5607536 -5951614043333 0 0    3232 1 0      C-13-H3C(O)CH3
  660645.4374  0.0065 -3.0945 3  351.5607536 -5951614043333 1 0    3232 0 0      C-13-H3C(O)CH3
  660673.3382  0.0142 -6.1200 3  137.4386376  5951614042317 7 1    221210 1      C-13-H3C(O)CH3
  660675.9462  0.1756 -6.0279 3  969.4441476  595161404593920 3    584019 3      C-13-H3C(O)CH3
  660681.5670  0.1763 -5.9868 3 1479.4768E16  595161404881078 0    88 979 0      C-13-H3C(O)CH3
  660681.5670  0.1763 -5.9868 3 1479.4768E16  595161404881178 0    881079 0      C-13-H3C(O)CH3
  660717.4118  0.0099 -3.3952 3  351.4043268  5951614043333 1 4    3232 1 4      C-13-H3C(O)CH3
  660729.1110  0.0073 -3.0943 3  351.4812536 -5951614043333 1 1    3232 1 1      C-13-H3C(O)CH3
  660735.1407  0.1272 -5.4293 3  969.4116952  595161404593920 2    584018 2      C-13-H3C(O)CH3
  660824.5702  0.1249 -5.7056 3  969.4574476  595161404593920 4    584018 4      C-13-H3C(O)CH3
  660826.7423  0.0162 -6.3079 3  137.4444188  5951614042317 7 3    221210 3      C-13-H3C(O)CH3
  660848.9703  0.1303 -5.4234 3  860.7782452  595161404563522 3    553619 3      C-13-H3C(O)CH3
  660852.0359  0.1555 -5.4400 3  969.4039952  595161404593920 1    584018 1      C-13-H3C(O)CH3
  660859.6126  0.0073 -3.0942 3  351.5117536 -5951614043333 0 2    3232 0 2      C-13-H3C(O)CH3
  660880.8140  0.1962 -5.9852 3 1479.4641E16  595161404881078 2    88 979 2      C-13-H3C(O)CH3
  660880.8140  0.1962 -5.9852 3 1479.4641E16  595161404881178 2    881079 2      C-13-H3C(O)CH3
  660881.7410  0.1921 -5.9272 3 1479.4644E16  595161404881078 1    881079 1      C-13-H3C(O)CH3
  660881.7410  0.1921 -5.9272 3 1479.4644E16  595161404881178 1    88 979 1      C-13-H3C(O)CH3
  660888.1450  0.1825 -5.1996 3  860.7603904  595161404563522 2    553619 2      C-13-H3C(O)CH3
  660910.2654  0.1455 -5.3933 3  969.3579952  595161404593920 0    584019 0      C-13-H3C(O)CH3
  660917.0267  0.0095 -3.3950 3  351.4574268  5951614043333 0 3    3232 0 3      C-13-H3C(O)CH3
  660929.4682  0.0072 -3.0941 3  351.5343536 -5951614043333 0 1    3232 0 1      C-13-H3C(O)CH3
  660942.0593  0.0071 -5.0912 3  691.7330904  595161404561442 0    551441 0      C-13-H3C(O)CH3
  660942.0593  0.0071 -5.0912 3  691.7330904  595161404561542 0    551541 0      C-13-H3C(O)CH3
  660942.0593  0.0071 -3.7423 3  691.7330904  595161404561542 0    551441 0      C-13-H3C(O)CH3
  660942.0593  0.0071 -3.7423 3  691.7330904  595161404561442 0    551541 0      C-13-H3C(O)CH3
  660942.8001  0.0096 -3.3949 3  351.4323268  5951614043333 1 3    3232 1 3      C-13-H3C(O)CH3
  660968.4733  0.0121 -4.6227 3  691.7103904  595161404561442 1    551541 1      C-13-H3C(O)CH3
  660968.4733  0.0121 -4.6227 3  691.7103904  595161404561542 1    551441 1      C-13-H3C(O)CH3
  660968.4733  0.0121 -3.7818 3  691.7103904  595161404561442 1    551441 1      C-13-H3C(O)CH3
  660968.4733  0.0121 -3.7818 3  691.7103904  595161404561542 1    551541 1      C-13-H3C(O)CH3
  660969.5612  0.0121 -3.8132 3  691.7099904  595161404561442 2    551541 2      C-13-H3C(O)CH3
  660969.5612  0.0121 -4.4514 3  691.7099904  595161404561442 2    551441 2      C-13-H3C(O)CH3
  660969.5612  0.0121 -4.4514 3  691.7099904  595161404561542 2    551541 2      C-13-H3C(O)CH3
  660969.5612  0.0121 -3.8132 3  691.7099904  595161404561542 2    551441 2      C-13-H3C(O)CH3
  660996.0136  0.0111 -4.1947 3  691.6872452  595161404561442 3    551441 3      C-13-H3C(O)CH3
  660996.0136  0.0111 -4.5127 3  691.6872452  595161404561442 3    551541 3      C-13-H3C(O)CH3
  660996.0136  0.0111 -4.5127 3  691.6872452  595161404561542 3    551441 3      C-13-H3C(O)CH3
  660996.0136  0.0111 -4.1947 3  691.6872452  595161404561542 3    551541 3      C-13-H3C(O)CH3
  660996.0360  0.0111 -4.0278 3  691.6872452  595161404561442 4    551541 4      C-13-H3C(O)CH3
  660996.0360  0.0111 -6.1127 3  691.6872452  595161404561442 4    551441 4      C-13-H3C(O)CH3
  660996.0360  0.0111 -4.0278 3  691.6872452  595161404561542 4    551441 4      C-13-H3C(O)CH3
  660996.0360  0.0111 -6.1127 3  691.6872452  595161404561542 4    551541 4      C-13-H3C(O)CH3
  661016.8776  0.0124 -5.3345 3  159.5251392  5951614042420 5 0    2317 6 0      C-13-H3C(O)CH3
  661074.7915  0.1113 -5.1800 3  860.7536904  595161404563522 1    553619 1      C-13-H3C(O)CH3
  661078.4466  0.0085 -4.7942 3  149.7189220  59516140427 720 4    26 621 4      C-13-H3C(O)CH3
  661078.4466  0.0085 -4.7941 3  149.7189220  59516140427 820 4    26 521 4      C-13-H3C(O)CH3
  661078.6066  0.0068 -4.7975 3  149.7188220  59516140427 820 3    26 521 3      C-13-H3C(O)CH3
  661078.6066  0.0068 -4.8045 3  149.7188220  59516140427 720 3    26 621 3      C-13-H3C(O)CH3
  661081.1604  0.1497 -6.3012 3 1479.4517708  595161404881178 3    881079 3      C-13-H3C(O)CH3
  661081.1604  0.1497 -6.3012 3 1479.4517708  595161404881078 3    88 979 3      C-13-H3C(O)CH3
  661081.4175  0.1498 -6.1882 3 1479.4517708  595161404881178 4    881079 4      C-13-H3C(O)CH3
  661081.4175  0.1498 -6.1882 3 1479.4517708  595161404881078 4    88 979 4      C-13-H3C(O)CH3
  661143.0117  0.0100 -3.3948 3  351.4854268  5951614043333 0 4    3232 0 4      C-13-H3C(O)CH3
  661187.2964  0.0123 -5.3343 3  159.5194392  5951614042420 4 0    2317 7 0      C-13-H3C(O)CH3
  661202.7056  0.1316 -5.9455 3 1426.6206E00  595161404871078 0    87 979 0      C-13-H3C(O)CH3
  661202.7056  0.1316 -5.9455 3 1426.6206E00  59516140487 978 0    87 879 0      C-13-H3C(O)CH3
  661315.1604  0.0138 -6.1183 3  137.4302376  5951614042317 7 2    221210 2      C-13-H3C(O)CH3
  661320.4827  0.0059 -4.8511 3  741.2933516 -59516140464 659 3    63 658 3      C-13-H3C(O)CH3
  661320.4827  0.0059 -5.0608 3  741.2933516 -59516140464 659 4    63 558 4      C-13-H3C(O)CH3
  661320.4827  0.0059 -3.9910 3  741.2933516 -59516140464 559 4    63 558 4      C-13-H3C(O)CH3
  661320.4827  0.0059 -4.0146 3  741.2933516 -59516140464 559 3    63 658 3      C-13-H3C(O)CH3
  661320.5391  0.0059 -3.9910 3  741.2933516  59516140464 659 4    63 658 4      C-13-H3C(O)CH3
  661320.5391  0.0059 -5.0608 3  741.2933516  59516140464 559 4    63 658 4      C-13-H3C(O)CH3
  661320.5881  0.0059 -4.0146 3  741.2933516  59516140464 659 3    63 558 3      C-13-H3C(O)CH3
  661320.5881  0.0059 -4.8511 3  741.2933516  59516140464 559 3    63 558 3      C-13-H3C(O)CH3
  661338.1789  0.0179 -6.2285 3  619.1020792  595161404492326 0    492029 0      C-13-H3C(O)CH3
  661338.5627  0.0179 -6.2285 3  619.1020792  595161404492426 0    492129 0      C-13-H3C(O)CH3
  661340.0075  0.0097 -3.6575 3  741.3187A32  59516140464 659 1    63 658 1      C-13-H3C(O)CH3
  661340.0075  0.0097 -3.6575 3  741.3187A32  59516140464 559 1    63 558 1      C-13-H3C(O)CH3
  661340.2867  0.0097 -5.8119 3  741.3187A32 -59516140464 559 1    63 658 1      C-13-H3C(O)CH3
  661340.2867  0.0094 -4.0782 3  741.3184A32 -59516140464 659 2    63 558 2      C-13-H3C(O)CH3
  661340.2867  0.0094 -4.0782 3  741.3184A32 -59516140464 559 2    63 658 2      C-13-H3C(O)CH3
  661340.2867  0.0097 -5.8119 3  741.3187A32 -59516140464 659 1    63 558 1      C-13-H3C(O)CH3
  661340.2893  0.0094 -3.8600 3  741.3184A32  59516140464 659 2    63 658 2      C-13-H3C(O)CH3
  661340.2893  0.0094 -3.8600 3  741.3184A32  59516140464 559 2    63 558 2      C-13-H3C(O)CH3
  661359.5986  0.0056 -3.6552 3  741.3437A32 -59516140464 559 0    63 558 0      C-13-H3C(O)CH3
  661359.6955  0.0056 -3.6552 3  741.3437A32  59516140464 659 0    63 658 0      C-13-H3C(O)CH3
  661399.8055  0.1390 -5.8120 3 1426.6004E00  59516140487 978 2    87 979 2      C-13-H3C(O)CH3
  661399.8055  0.1390 -5.8120 3 1426.6004E00  595161404871078 2    87 879 2      C-13-H3C(O)CH3
  661401.4550  0.1401 -5.8820 3 1426.6006E00  595161404871078 1    87 979 1      C-13-H3C(O)CH3
  661401.4550  0.1401 -5.8820 3 1426.6006E00  59516140487 978 1    87 879 1      C-13-H3C(O)CH3
  661456.0589  0.0259 -6.2284 3  619.0844792  595161404492326 2    492029 2      C-13-H3C(O)CH3
  661456.4836  0.0259 -6.2284 3  619.0844792  595161404492426 2    492129 2      C-13-H3C(O)CH3
  661466.5976  0.0197 -6.2271 3  619.0854792  595161404492326 1    492029 1      C-13-H3C(O)CH3
  661467.0162  0.0197 -6.2271 3  619.0854792  595161404492426 1    492129 1      C-13-H3C(O)CH3
  661477.1460  0.0064 -4.4925 3  149.6985440  59516140427 820 2    26 521 2      C-13-H3C(O)CH3
  661477.1460  0.0064 -4.4924 3  149.6985440  59516140427 720 2    26 621 2      C-13-H3C(O)CH3
  661486.9069  0.0067 -4.4924 3  149.6993440  59516140427 720 1    26 621 1      C-13-H3C(O)CH3
  661486.9069  0.0067 -4.4930 3  149.6993440  59516140427 820 1    26 521 1      C-13-H3C(O)CH3
  661598.8868  0.1318 -6.3018 3 1426.5803700  595161404871078 4    87 979 4      C-13-H3C(O)CH3
  661598.8868  0.1318 -6.3018 3 1426.5803700  59516140487 978 4    87 879 4      C-13-H3C(O)CH3
  661603.5383  0.0801 -5.1194 3  860.7212904  595161404563522 0    553619 0      C-13-H3C(O)CH3
  661738.4895  0.1046 -6.2824 3 1374.3395D84  59516140486 978 0    86 779 0      C-13-H3C(O)CH3
  661738.4895  0.1046 -5.9010 3 1374.3395D84  59516140486 978 0    86 879 0      C-13-H3C(O)CH3
  661738.4895  0.1046 -5.9010 3 1374.3395D84  59516140486 878 0    86 779 0      C-13-H3C(O)CH3
  661738.4895  0.1046 -6.2824 3 1374.3395D84  59516140486 878 0    86 879 0      C-13-H3C(O)CH3
  661884.6102  0.0062 -4.4923 3  149.6790440  59516140427 720 0    26 621 0      C-13-H3C(O)CH3
  661884.6102  0.0062 -4.4915 3  149.6790440  59516140427 820 0    26 521 0      C-13-H3C(O)CH3
  661913.9966  0.1306 -5.8134 3 1374.3127D84  59516140486 878 2    86 879 2      C-13-H3C(O)CH3
  661913.9966  0.1306 -5.8134 3 1374.3127D84  59516140486 978 2    86 779 2      C-13-H3C(O)CH3
  661915.4797  0.1371 -5.8286 3 1374.3128D84  59516140486 978 1    86 779 1      C-13-H3C(O)CH3
  661915.4797  0.1371 -5.8286 3 1374.3128D84  59516140486 878 1    86 879 1      C-13-H3C(O)CH3
  661987.8455  0.0071 -3.7478 3  701.8733920 -595161404571344 0    561343 0      C-13-H3C(O)CH3
  661987.8455  0.0071 -4.9156 3  701.8733920 -595161404571444 0    561343 0      C-13-H3C(O)CH3
  661987.8455  0.0071 -3.7478 3  701.8733920 -595161404571444 0    561443 0      C-13-H3C(O)CH3
  661987.8455  0.0071 -4.9156 3  701.8733920 -595161404571344 0    561443 0      C-13-H3C(O)CH3
  662010.7880  0.0129 -5.0645 3  701.8490920  595161404571344 1    561443 1      C-13-H3C(O)CH3
  662010.7880  0.0129 -5.0645 3  701.8490920  595161404571444 1    561343 1      C-13-H3C(O)CH3
  662010.7880  0.0129 -3.7392 3  701.8490920  595161404571444 1    561443 1      C-13-H3C(O)CH3
  662010.7880  0.0129 -3.7392 3  701.8490920  595161404571344 1    561343 1      C-13-H3C(O)CH3
  662011.6669  0.0129 -3.7508 3  701.8486920  595161404571344 2    561443 2      C-13-H3C(O)CH3
  662011.6669  0.0129 -4.8718 3  701.8486920  595161404571344 2    561343 2      C-13-H3C(O)CH3
  662011.6669  0.0129 -4.8718 3  701.8486920  595161404571444 2    561443 2      C-13-H3C(O)CH3
  662011.6669  0.0129 -3.7508 3  701.8486920  595161404571444 2    561343 2      C-13-H3C(O)CH3
  662034.7672  0.0110 -4.4927 3  701.8243460  595161404571344 3    561443 3      C-13-H3C(O)CH3
  662034.7672  0.0110 -4.1985 3  701.8243460  595161404571444 3    561443 3      C-13-H3C(O)CH3
  662034.7672  0.0110 -5.0127 3  701.8243460  595161404571344 3    561343 3      C-13-H3C(O)CH3
  662034.7672  0.0110 -4.0667 3  701.8243460  595161404571444 3    561343 3      C-13-H3C(O)CH3
  662034.7807  0.0110 -5.3437 3  701.8243460  595161404571444 4    561343 4      C-13-H3C(O)CH3
  662034.7807  0.0110 -4.0413 3  701.8243460  595161404571444 4    561443 4      C-13-H3C(O)CH3
  662034.7807  0.0110 -4.0413 3  701.8243460  595161404571344 4    561343 4      C-13-H3C(O)CH3
  662034.7807  0.0110 -5.3437 3  701.8243460  595161404571344 4    561443 4      C-13-H3C(O)CH3
  662091.0660  0.1189 -6.1471 3 1374.2859692  59516140486 878 3    86 779 3      C-13-H3C(O)CH3
  662091.0660  0.1189 -6.1471 3 1374.2859692  59516140486 978 3    86 879 3      C-13-H3C(O)CH3
  662091.1517  0.1189 -6.1238 3 1374.2859692  59516140486 878 4    86 779 4      C-13-H3C(O)CH3
  662091.1517  0.1189 -6.1238 3 1374.2859692  59516140486 978 4    86 879 4      C-13-H3C(O)CH3
  662225.4008  0.0110 -5.6399 3  121.5550212  59516140426 522 3    25 223 3      C-13-H3C(O)CH3
  662225.4008  0.0110 -5.6399 3  121.5550212  59516140426 422 3    25 323 3      C-13-H3C(O)CH3
  662225.4008  0.0110 -5.4977 3  121.5550212  59516140426 422 3    25 223 3      C-13-H3C(O)CH3
  662225.4008  0.0110 -5.4977 3  121.5550212  59516140426 522 3    25 323 3      C-13-H3C(O)CH3
  662225.6736  0.0129 -5.3058 3  121.5550212  59516140426 422 4    25 223 4      C-13-H3C(O)CH3
  662225.6736  0.0129 -6.2800 3  121.5550212  59516140426 522 4    25 223 4      C-13-H3C(O)CH3
  662225.6736  0.0129 -5.3058 3  121.5550212  59516140426 522 4    25 323 4      C-13-H3C(O)CH3
  662225.6736  0.0129 -6.2800 3  121.5550212  59516140426 422 4    25 323 4      C-13-H3C(O)CH3
  662254.8760  0.1412 -5.7017 3 1085.9813A00  595161404624319 2    614417 2      C-13-H3C(O)CH3
  662261.2681  0.0183 -6.1127 3  141.4006360  5951614042221 1 1    2118 3 1      C-13-H3C(O)CH3
  662270.0057  0.1311 -6.0026 3 1086.0286500  595161404624319 4    614417 4      C-13-H3C(O)CH3
  662275.9209  0.0210 -3.9617 3  374.0688300  595161404372513 4    362412 4      C-13-H3C(O)CH3
  662297.5467  0.1030 -6.0141 3 1322.6331D68  59516140485 878 0    85 679 0      C-13-H3C(O)CH3
  662297.5467  0.1030 -5.9841 3 1322.6331D68  59516140485 878 0    85 779 0      C-13-H3C(O)CH3
  662297.5467  0.1030 -6.0141 3 1322.6331D68  59516140485 778 0    85 779 0      C-13-H3C(O)CH3
  662297.5467  0.1030 -5.9841 3 1322.6331D68  59516140485 778 0    85 679 0      C-13-H3C(O)CH3
  662349.6098  0.0165 -5.5047 3  193.1521220  5951614042719 9 4    261611 4      C-13-H3C(O)CH3
  662360.8055  0.0142 -6.2285 3  137.4386376  5951614042317 6 1    221210 1      C-13-H3C(O)CH3
  662372.1329  0.0159 -3.6164 3  374.0903600  595161404372513 2    362412 2      C-13-H3C(O)CH3
  662373.9153  0.1625 -5.7016 3 1085.9279A00  595161404624320 0    614417 0      C-13-H3C(O)CH3
  662379.0769  0.1625 -5.7016 3 1085.9279A00  595161404624319 0    614418 0      C-13-H3C(O)CH3
  662388.3232  0.1442 -5.9416 3 1170.8089A32  595161404644619 0    634716 0      C-13-H3C(O)CH3
  662388.4043  0.1442 -5.9416 3 1170.8089A32  595161404644618 0    634717 0      C-13-H3C(O)CH3
  662390.7047  0.1611 -5.7015 3 1085.9751A00  595161404624319 1    614417 1      C-13-H3C(O)CH3
  662398.4092  0.0111 -5.8770 3  137.4242376  5951614042317 7 0    221210 0      C-13-H3C(O)CH3
  662425.6745  0.1670 -5.6976 3 1322.6015D68  59516140485 778 2    85 679 2      C-13-H3C(O)CH3
  662425.6745  0.1670 -5.6976 3 1322.6015D68  59516140485 878 2    85 779 2      C-13-H3C(O)CH3
  662426.1825  0.1738 -6.1535 3 1322.6016D68  59516140485 878 1    85 779 1      C-13-H3C(O)CH3
  662426.1825  0.1738 -5.8846 3 1322.6016D68  59516140485 878 1    85 679 1      C-13-H3C(O)CH3
  662426.1825  0.1738 -5.8846 3 1322.6016D68  59516140485 778 1    85 779 1      C-13-H3C(O)CH3
  662426.1825  0.1738 -6.1535 3 1322.6016D68  59516140485 778 1    85 679 1      C-13-H3C(O)CH3
  662443.8871  0.0050 -3.5246 3  374.0848600  595161404372513 1    362412 1      C-13-H3C(O)CH3
  662445.4386  0.1354 -5.9417 3 1170.8605A32  595161404644618 2    634716 2      C-13-H3C(O)CH3
  662456.6048  0.0044 -3.1582 3  354.3933552 -5951614043431 4 2    3330 4 2      C-13-H3C(O)CH3
  662456.6048  0.0171 -6.1155 3  141.4121360 -5951614042221 1 2    2118 3 2      C-13-H3C(O)CH3
  662457.3537  0.0043 -3.5150 3  374.1066600  595161404372513 0    362412 0      C-13-H3C(O)CH3
  662462.2036  0.0154 -3.8728 3  374.0677300  595161404372513 3    362412 3      C-13-H3C(O)CH3
  662470.5225  0.0050 -4.8244 3  746.5272524 -59516140465 461 4    64 460 4      C-13-H3C(O)CH3
  662470.5225  0.0050 -4.0968 3  746.5272524 -59516140465 561 3    64 560 3      C-13-H3C(O)CH3
  662470.5225  0.0050 -4.0105 3  746.5272524 -59516140465 561 4    64 460 4      C-13-H3C(O)CH3
  662470.5225  0.0050 -4.4872 3  746.5272524 -59516140465 461 3    64 560 3      C-13-H3C(O)CH3
  662470.5648  0.0050 -4.0105 3  746.5272524  59516140465 461 4    64 560 4      C-13-H3C(O)CH3
  662470.5648  0.0050 -4.8244 3  746.5272524  59516140465 561 4    64 560 4      C-13-H3C(O)CH3
  662470.6042  0.0050 -4.0968 3  746.5272524  59516140465 461 3    64 460 3      C-13-H3C(O)CH3
  662470.6042  0.0050 -4.4872 3  746.5272524  59516140465 561 3    64 460 3      C-13-H3C(O)CH3
  662476.2358  0.0061 -3.4592 3  354.3273276  5951614043431 4 4    3330 4 4      C-13-H3C(O)CH3
  662482.5272  0.0043 -3.1582 3  354.4434552 -5951614043431 4 0    3330 3 0      C-13-H3C(O)CH3
  662482.5272  0.0043 -3.1582 3  354.4434552 -5951614043431 3 0    3330 4 0      C-13-H3C(O)CH3
  662494.5753  0.0073 -3.6705 3  746.5461A48  59516140465 461 1    64 460 1      C-13-H3C(O)CH3
  662494.5753  0.0073 -4.9352 3  746.5461A48  59516140465 561 1    64 460 1      C-13-H3C(O)CH3
  662494.7310  0.0073 -3.6705 3  746.5461A48 -59516140465 561 1    64 560 1      C-13-H3C(O)CH3
  662494.7310  0.0072 -4.5107 3  746.5457A48 -59516140465 461 2    64 460 2      C-13-H3C(O)CH3
  662494.7310  0.0072 -3.7115 3  746.5457A48 -59516140465 561 2    64 460 2      C-13-H3C(O)CH3
  662494.7310  0.0073 -4.9352 3  746.5461A48 -59516140465 461 1    64 560 1      C-13-H3C(O)CH3
  662494.7588  0.0072 -3.7115 3  746.5457A48  59516140465 461 2    64 560 2      C-13-H3C(O)CH3
  662494.7588  0.0072 -4.5107 3  746.5457A48  59516140465 561 2    64 560 2      C-13-H3C(O)CH3
  662501.5437  0.0046 -3.1581 3  354.3775552 -5951614043431 4 1    3330 4 1      C-13-H3C(O)CH3
  662518.7063  0.0050 -3.6514 3  746.5646A48  59516140465 461 0    64 560 0      C-13-H3C(O)CH3
  662518.7063  0.0050 -5.6936 3  746.5646A48  59516140465 561 0    64 560 0      C-13-H3C(O)CH3
  662518.7468  0.0050 -5.6936 3  746.5646A48 -59516140465 461 0    64 460 0      C-13-H3C(O)CH3
  662518.7468  0.0050 -3.6514 3  746.5646A48 -59516140465 561 0    64 460 0      C-13-H3C(O)CH3
  662550.2130  0.1234 -6.0025 3 1086.0109500  595161404624320 3    614417 3      C-13-H3C(O)CH3
  662554.2338  0.1111 -6.0228 3 1322.5698684  59516140485 778 4    85 679 4      C-13-H3C(O)CH3
  662554.2338  0.1111 -6.0228 3 1322.5698684  59516140485 878 4    85 779 4      C-13-H3C(O)CH3
  662554.3355  0.1110 -5.9995 3 1322.5699684  59516140485 778 3    85 779 3      C-13-H3C(O)CH3
  662554.3355  0.1110 -5.9995 3 1322.5699684  59516140485 878 3    85 679 3      C-13-H3C(O)CH3
  662565.9035  0.1460 -5.9415 3 1170.8534A32  595161404644618 1    634716 1      C-13-H3C(O)CH3
  662578.0166  0.0189 -6.1107 3  141.3510360  5951614042221 2 2    2118 4 2      C-13-H3C(O)CH3
  662612.2712  0.1333 -5.7016 3 1085.9635A00  595161404624320 2    614418 2      C-13-H3C(O)CH3
  662619.5798  0.0099 -3.9739 3  266.1504520  595161404321814 2    311715 2      C-13-H3C(O)CH3
  662623.4569  0.1433 -6.2425 3 1170.9051516  595161404644618 4    634716 4      C-13-H3C(O)CH3
  662626.5795  0.0045 -3.1580 3  354.4017552 -5951614043431 3 2    3330 3 2      C-13-H3C(O)CH3
  662626.6696  0.1176 -6.0026 3 1086.0108500  595161404624319 3    614418 3      C-13-H3C(O)CH3
  662645.7792  0.0061 -3.4589 3  354.3359276  5951614043431 4 3    3330 4 3      C-13-H3C(O)CH3
  662656.4740  0.0142 -6.2450 3  137.4302376  5951614042317 6 2    221210 2      C-13-H3C(O)CH3
  662672.1850  0.1505 -5.7014 3 1085.9575A00  595161404624320 1    614418 1      C-13-H3C(O)CH3
  662676.6032  0.0060 -3.4589 3  354.3564276  5951614043431 3 3    3330 3 3      C-13-H3C(O)CH3
  662680.8427  0.1292 -5.9415 3 1170.8201A32  595161404644619 1    634717 1      C-13-H3C(O)CH3
  662684.9698  0.1248 -5.9416 3 1170.8244A32  595161404644619 2    634717 2      C-13-H3C(O)CH3
  662702.4613  0.0045 -3.1578 3  354.4064552 -5951614043431 3 1    3330 3 1      C-13-H3C(O)CH3
  662707.7286  0.0130 -4.2748 3  266.1330260  595161404321814 3    311715 3      C-13-H3C(O)CH3
  662716.6116  0.0117 -4.2747 3  266.1330260  595161404321814 4    311715 4      C-13-H3C(O)CH3
  662737.8442  0.1371 -6.2425 3 1170.8717516  595161404644619 3    634716 3      C-13-H3C(O)CH3
  662743.7001  0.0185 -6.1097 3  141.3372360  5951614042221 2 1    2118 4 1      C-13-H3C(O)CH3
  662748.1838  0.0081 -3.9741 3  266.1729520  595161404321814 0    311715 0      C-13-H3C(O)CH3
  662752.1628  0.0938 -5.8900 3  860.6981904  595161404563522 2    553620 2      C-13-H3C(O)CH3
  662768.2893  0.0959 -5.9082 3  860.7108452  595161404563522 4    553620 4      C-13-H3C(O)CH3
  662791.0050  0.0841 -6.0024 3  860.6963904  595161404563522 1    553620 1      C-13-H3C(O)CH3
  662802.8735  0.0131 -4.9687 3  121.5083424  59516140426 522 2    25 323 2      C-13-H3C(O)CH3
  662802.8735  0.0131 -4.9687 3  121.5083424  59516140426 422 2    25 223 2      C-13-H3C(O)CH3
  662807.1625  0.0135 -4.9605 3  121.5088424  59516140426 422 1    25 223 1      C-13-H3C(O)CH3
  662807.1625  0.0135 -4.9605 3  121.5088424  59516140426 522 1    25 323 1      C-13-H3C(O)CH3
  662837.3478  0.0101 -3.9739 3  266.1556520  595161404321814 1    311715 1      C-13-H3C(O)CH3
  662845.8502  0.0064 -3.4587 3  354.3648276  5951614043431 3 4    3330 3 4      C-13-H3C(O)CH3
  662862.8325  0.1391 -6.2425 3 1170.8690516  595161404644618 3    634717 3      C-13-H3C(O)CH3
  662867.1020  0.0111 -5.3253 3  193.1628440  5951614042719 9 1    261611 1      C-13-H3C(O)CH3
  662889.8060  0.1150 -5.7300 3 1271.5007D52  59516140484 678 0    84 579 0      C-13-H3C(O)CH3
  662889.8060  0.1150 -5.7300 3 1271.5007D52  59516140484 778 0    84 679 0      C-13-H3C(O)CH3
  662908.5707  0.1266 -6.0023 3 1085.9931500  595161404624320 4    614418 4      C-13-H3C(O)CH3
  662927.9721  0.0114 -6.0763 3  193.1526220  5951614042719 9 3    261611 3      C-13-H3C(O)CH3
  662936.3392  0.2118 -5.6737 3 1271.4673D52  59516140484 678 1    84 579 1      C-13-H3C(O)CH3
  662936.3392  0.2118 -5.6737 3 1271.4673D52  59516140484 778 1    84 679 1      C-13-H3C(O)CH3
  662937.3674  0.2075 -5.7217 3 1271.4672D52  59516140484 678 2    84 679 2      C-13-H3C(O)CH3
  662937.3674  0.2075 -5.7217 3 1271.4672D52  59516140484 778 2    84 579 2      C-13-H3C(O)CH3
  662978.4716  0.1359 -6.2425 3 1170.8357516  595161404644619 4    634717 4      C-13-H3C(O)CH3
  662983.5155  0.1064 -6.1473 3 1271.4338676  59516140484 678 4    84 579 4      C-13-H3C(O)CH3
  662983.5155  0.1064 -6.1473 3 1271.4338676  59516140484 778 4    84 679 4      C-13-H3C(O)CH3
  662983.8740  0.1063 -5.9618 3 1271.4338676  59516140484 678 3    84 579 3      C-13-H3C(O)CH3
  662983.8740  0.1063 -5.9618 3 1271.4338676  59516140484 778 3    84 679 3      C-13-H3C(O)CH3
  663055.1080  0.0072 -4.5529 3  711.4649936 -595161404581346 0    571245 0      C-13-H3C(O)CH3
  663055.1080  0.0072 -3.7834 3  711.4649936 -595161404581346 0    571345 0      C-13-H3C(O)CH3
  663055.1080  0.0072 -4.5529 3  711.4649936 -595161404581246 0    571345 0      C-13-H3C(O)CH3
  663055.1080  0.0072 -3.7834 3  711.4649936 -595161404581246 0    571245 0      C-13-H3C(O)CH3
  663074.3491  0.0138 -3.7570 3  711.4389936  595161404581346 1    571245 1      C-13-H3C(O)CH3
  663074.3491  0.0138 -3.7570 3  711.4389936  595161404581246 1    571345 1      C-13-H3C(O)CH3
  663074.3491  0.0138 -4.7523 3  711.4389936  595161404581346 1    571345 1      C-13-H3C(O)CH3
  663074.3491  0.0138 -4.7523 3  711.4389936  595161404581246 1    571245 1      C-13-H3C(O)CH3
  663075.0698  0.0137 -4.3910 3  711.4386936  595161404581346 2    571245 2      C-13-H3C(O)CH3
  663075.0698  0.0137 -3.8181 3  711.4386936  595161404581346 2    571345 2      C-13-H3C(O)CH3
  663075.0698  0.0137 -3.8181 3  711.4386936  595161404581246 2    571245 2      C-13-H3C(O)CH3
  663075.0698  0.0137 -4.3910 3  711.4386936  595161404581246 2    571345 2      C-13-H3C(O)CH3
  663094.3504  0.0107 -4.3051 3  711.4126468  595161404581246 3    571245 3      C-13-H3C(O)CH3
  663094.3504  0.0107 -4.1219 3  711.4126468  595161404581346 3    571345 3      C-13-H3C(O)CH3
  663094.3504  0.0107 -4.3296 3  711.4126468  595161404581346 3    571245 3      C-13-H3C(O)CH3
  663094.3504  0.0107 -4.6815 3  711.4126468  595161404581246 3    571345 3      C-13-H3C(O)CH3
  663094.3541  0.0107 -4.0499 3  711.4126468  595161404581346 4    571345 4      C-13-H3C(O)CH3
  663094.3541  0.0107 -4.0499 3  711.4126468  595161404581246 4    571245 4      C-13-H3C(O)CH3
  663094.3541  0.0107 -5.1418 3  711.4126468  595161404581246 4    571345 4      C-13-H3C(O)CH3
  663094.3541  0.0107 -5.1418 3  711.4126468  595161404581346 4    571245 4      C-13-H3C(O)CH3
  663205.5172  0.0193 -6.1151 3  141.4022360  5951614042221 2 0    2118 3 0      C-13-H3C(O)CH3
  663205.7254  0.0193 -6.1151 3  141.4022360  5951614042221 1 0    2118 4 0      C-13-H3C(O)CH3
  663346.3606  0.0107 -5.5187 3  193.1589440  5951614042719 9 2    261611 2      C-13-H3C(O)CH3
  663373.7303  0.1014 -5.9287 3 1220.8796668  59516140483 578 4    83 479 4      C-13-H3C(O)CH3
  663373.7303  0.1014 -5.9287 3 1220.8796668  59516140483 678 4    83 579 4      C-13-H3C(O)CH3
  663374.3783  0.1013 -6.0005 3 1220.8796668  59516140483 578 3    83 479 3      C-13-H3C(O)CH3
  663374.3783  0.1013 -5.9980 3 1220.8796668  59516140483 678 3    83 579 3      C-13-H3C(O)CH3
  663383.3231  0.0124 -5.3371 3  121.4621424  59516140426 422 0    25 323 0      C-13-H3C(O)CH3
  663383.3231  0.0124 -5.3371 3  121.4621424  59516140426 522 0    25 223 0      C-13-H3C(O)CH3
  663383.3231  0.0124 -5.1939 3  121.4621424  59516140426 422 0    25 223 0      C-13-H3C(O)CH3
  663383.3231  0.0124 -5.1939 3  121.4621424  59516140426 522 0    25 323 0      C-13-H3C(O)CH3
  663449.1716  0.2277 -5.6267 3 1220.9104D36  59516140483 678 1    83 479 1      C-13-H3C(O)CH3
  663449.1716  0.2277 -5.6347 3 1220.9104D36  59516140483 578 1    83 579 1      C-13-H3C(O)CH3
  663451.8443  0.2258 -5.6296 3 1220.9102D36  59516140483 678 2    83 479 2      C-13-H3C(O)CH3
  663451.8443  0.2258 -5.6374 3 1220.9102D36  59516140483 578 2    83 579 2      C-13-H3C(O)CH3
  663526.5507  0.1223 -5.6445 3 1220.9411D36  59516140483 578 0    83 579 0      C-13-H3C(O)CH3
  663526.5507  0.1223 -5.6445 3 1220.9411D36  59516140483 678 0    83 479 0      C-13-H3C(O)CH3
  663554.6026  0.0051 -5.1860 3  374.0848600  595161404372512 1    362412 1      C-13-H3C(O)CH3
  663630.5263  0.0043 -4.2160 3  751.2285532  59516140466 363 4    65 462 4      C-13-H3C(O)CH3
  663630.5263  0.0043 -4.2696 3  751.2285532  59516140466 463 4    65 462 4      C-13-H3C(O)CH3
  663630.5476  0.0043 -4.7508 3  751.2284532  59516140466 463 3    65 362 3      C-13-H3C(O)CH3
  663630.5476  0.0043 -4.0140 3  751.2284532  59516140466 363 3    65 362 3      C-13-H3C(O)CH3
  663630.5932  0.0043 -4.0140 3  751.2284532 -59516140466 463 3    65 462 3      C-13-H3C(O)CH3
  663630.5932  0.0043 -4.2160 3  751.2285532 -59516140466 463 4    65 362 4      C-13-H3C(O)CH3
  663630.5932  0.0043 -4.7508 3  751.2284532 -59516140466 363 3    65 462 3      C-13-H3C(O)CH3
  663630.5932  0.0043 -4.2696 3  751.2285532 -59516140466 363 4    65 362 4      C-13-H3C(O)CH3
  663657.0286  0.0063 -4.8092 3  751.2370A64  59516140466 463 1    65 462 1      C-13-H3C(O)CH3
  663657.0286  0.0063 -3.6703 3  751.2370A64  59516140466 363 1    65 462 1      C-13-H3C(O)CH3
  663657.0925  0.0063 -4.2319 3  751.2366A64  59516140466 463 2    65 462 2      C-13-H3C(O)CH3
  663657.0925  0.0063 -3.7682 3  751.2366A64  59516140466 363 2    65 462 2      C-13-H3C(O)CH3
  663657.1266  0.0063 -3.6703 3  751.2370A64 -59516140466 463 1    65 362 1      C-13-H3C(O)CH3
  663657.1266  0.0063 -4.8092 3  751.2370A64 -59516140466 363 1    65 362 1      C-13-H3C(O)CH3
  663657.1266  0.0063 -4.2319 3  751.2366A64 -59516140466 363 2    65 362 2      C-13-H3C(O)CH3
  663657.1266  0.0063 -3.7682 3  751.2366A64 -59516140466 463 2    65 362 2      C-13-H3C(O)CH3
  663661.4084  0.0070 -4.7259 3  374.0677300  595161404372512 3    362412 3      C-13-H3C(O)CH3
  663683.5372  0.0048 -3.7617 3  751.2452A64  59516140466 463 0    65 462 0      C-13-H3C(O)CH3
  663683.5372  0.0048 -4.2513 3  751.2452A64  59516140466 463 0    65 362 0      C-13-H3C(O)CH3
  663683.5372  0.0048 -4.2513 3  751.2452A64  59516140466 363 0    65 462 0      C-13-H3C(O)CH3
  663683.5372  0.0048 -3.7617 3  751.2452A64  59516140466 363 0    65 362 0      C-13-H3C(O)CH3
  663694.8560  0.0108 -5.1111 3  193.1526220  5951614042719 8 3    261611 3      C-13-H3C(O)CH3
  663704.1721  0.0081 -4.1940 3  374.0903600  595161404372512 2    362412 2      C-13-H3C(O)CH3
  663718.9773  0.0944 -6.0827 3 1170.9090660  59516140482 578 4    82 379 4      C-13-H3C(O)CH3
  663718.9773  0.0944 -6.0827 3 1170.9090660  59516140482 478 4    82 479 4      C-13-H3C(O)CH3
  663719.8464  0.0944 -6.0937 3 1170.9090660  59516140482 578 3    82 479 3      C-13-H3C(O)CH3
  663719.8464  0.0944 -6.0937 3 1170.9090660  59516140482 478 3    82 379 3      C-13-H3C(O)CH3
  663778.8400  0.0108 -4.3602 3  374.0688300  595161404372512 4    362412 4      C-13-H3C(O)CH3
  663942.1133  0.0234 -4.9594 3  224.2072236  595161404292010 4    281711 4      C-13-H3C(O)CH3
  663968.3819  0.2082 -5.6180 3 1170.9311D20  59516140482 578 1    82 379 1      C-13-H3C(O)CH3
  663968.3819  0.2082 -5.6180 3 1170.9311D20  59516140482 478 1    82 479 1      C-13-H3C(O)CH3
  663972.1090  0.2081 -5.8622 3 1170.9308D20  59516140482 578 2    82 379 2      C-13-H3C(O)CH3
  663972.1090  0.2081 -5.9817 3 1170.9308D20  59516140482 578 2    82 479 2      C-13-H3C(O)CH3
  663972.1090  0.2081 -5.8622 3 1170.9308D20  59516140482 478 2    82 479 2      C-13-H3C(O)CH3
  663972.1090  0.2081 -5.9817 3 1170.9308D20  59516140482 478 2    82 379 2      C-13-H3C(O)CH3
  664012.7689  0.0903 -5.9508 3 1121.5243652  59516140481 378 4    81 379 4      C-13-H3C(O)CH3
  664012.7689  0.0903 -5.9508 3 1121.5243652  59516140481 478 4    81 279 4      C-13-H3C(O)CH3
  664013.5777  0.0903 -5.9529 3 1121.5242652  59516140481 478 3    81 279 3      C-13-H3C(O)CH3
  664013.5777  0.0903 -5.9529 3 1121.5242652  59516140481 378 3    81 379 3      C-13-H3C(O)CH3
  664042.9713  0.0051 -3.5387 3  358.9074284  5951614043529 7 4    3428 7 4      C-13-H3C(O)CH3
  664052.8277  0.0042 -3.2376 3  358.9379568 -5951614043529 7 1    3428 7 1      C-13-H3C(O)CH3
  664061.3242  0.0040 -3.2376 3  358.9565568 -5951614043529 7 2    3428 7 2      C-13-H3C(O)CH3
  664071.8018  0.0037 -3.2375 3  358.9867568 -5951614043529 7 0    3428 6 0      C-13-H3C(O)CH3
  664071.8018  0.0037 -3.2375 3  358.9867568 -5951614043529 6 0    3428 7 0      C-13-H3C(O)CH3
  664140.4685  0.0073 -5.1598 3  720.5104952  595161404591248 0    581247 0      C-13-H3C(O)CH3
  664140.4685  0.0073 -3.7269 3  720.5104952  595161404591248 0    581147 0      C-13-H3C(O)CH3
  664140.4685  0.0073 -3.7269 3  720.5104952  595161404591148 0    581247 0      C-13-H3C(O)CH3
  664140.4685  0.0073 -5.1598 3  720.5104952  595161404591148 0    581147 0      C-13-H3C(O)CH3
  664155.4042  0.0147 -3.8265 3  720.4828952  595161404591148 1    581247 1      C-13-H3C(O)CH3
  664155.4042  0.0147 -4.3432 3  720.4828952  595161404591248 1    581247 1      C-13-H3C(O)CH3
  664155.4042  0.0147 -3.8265 3  720.4828952  595161404591248 1    581147 1      C-13-H3C(O)CH3
  664155.4042  0.0147 -4.3432 3  720.4828952  595161404591148 1    581147 1      C-13-H3C(O)CH3
  664156.0086  0.0145 -4.3652 3  720.4825952  595161404591148 2    581247 2      C-13-H3C(O)CH3
  664156.0086  0.0145 -3.8200 3  720.4825952  595161404591148 2    581147 2      C-13-H3C(O)CH3
  664156.0086  0.0145 -4.3652 3  720.4825952  595161404591248 2    581147 2      C-13-H3C(O)CH3
  664156.0086  0.0145 -3.8200 3  720.4825952  595161404591248 2    581247 2      C-13-H3C(O)CH3
  664160.4754  0.0178 -4.8977 3  224.2075236  595161404292010 3    281711 3      C-13-H3C(O)CH3
  664163.3527  0.0051 -3.5386 3  358.9113284  5951614043529 7 3    3428 7 3      C-13-H3C(O)CH3
  664164.7992  0.0102 -4.9056 3  193.1628440  5951614042719 8 1    261611 1      C-13-H3C(O)CH3
  664170.9629  0.0104 -4.0127 3  720.4548476  595161404591148 4    581147 4      C-13-H3C(O)CH3
  664170.9629  0.0104 -4.0127 3  720.4548476  595161404591248 4    581247 4      C-13-H3C(O)CH3
  664170.9696  0.0104 -4.9627 3  720.4548476  595161404591248 3    581147 3      C-13-H3C(O)CH3
  664170.9696  0.0104 -4.9627 3  720.4548476  595161404591148 3    581247 3      C-13-H3C(O)CH3
  664170.9696  0.0104 -4.0637 3  720.4548476  595161404591148 3    581147 3      C-13-H3C(O)CH3
  664170.9696  0.0104 -4.0637 3  720.4548476  595161404591248 3    581247 3      C-13-H3C(O)CH3
  664174.1913  0.0156 -4.6272 3  224.2228472  595161404292010 1    281711 1      C-13-H3C(O)CH3
  664181.4595  0.0040 -3.2375 3  358.9602568 -5951614043529 6 2    3428 6 2      C-13-H3C(O)CH3
  664220.4413  0.1142 -5.6809 3 1170.9529D20  59516140482 578 0    82 479 0      C-13-H3C(O)CH3
  664220.4413  0.1142 -5.6809 3 1170.9529D20  59516140482 478 0    82 379 0      C-13-H3C(O)CH3
  664225.2040  0.0050 -3.5384 3  358.9193284  5951614043529 6 3    3428 6 3      C-13-H3C(O)CH3
  664234.8108  0.0040 -3.2373 3  358.9496568 -5951614043529 6 1    3428 6 1      C-13-H3C(O)CH3
  664248.1230  0.1072 -6.0270 3 1072.7276644  59516140480 378 4    80 179 4      C-13-H3C(O)CH3
  664248.1230  0.1072 -6.0270 3 1072.7276644  59516140480 278 4    80 279 4      C-13-H3C(O)CH3
  664248.1953  0.1070 -6.0239 3 1072.7276644  59516140480 278 3    80 179 3      C-13-H3C(O)CH3
  664248.1953  0.1070 -6.0239 3 1072.7276644  59516140480 378 3    80 279 3      C-13-H3C(O)CH3
  664253.5826  0.0065 -3.8057 3  612.0004792 -595161404492227 0    482326 0      C-13-H3C(O)CH3
  664253.5826  0.0065 -3.8057 3  612.0004792 -595161404492327 0    482226 0      C-13-H3C(O)CH3
  664269.6993  0.0103 -4.8519 3  193.1589440  5951614042719 8 2    261611 2      C-13-H3C(O)CH3
  664295.4811  0.0081 -3.8057 3  611.9855792  595161404492227 1    482326 1      C-13-H3C(O)CH3
  664295.6535  0.0081 -3.8057 3  611.9855792  595161404492327 1    482226 1      C-13-H3C(O)CH3
  664298.4140  0.0142 -5.2630 3  193.1521220  5951614042719 8 4    261611 4      C-13-H3C(O)CH3
  664303.3870  0.0087 -3.8057 3  611.9841792  595161404492227 2    482326 2      C-13-H3C(O)CH3
  664303.5623  0.0087 -3.8057 3  611.9840792  595161404492327 2    482226 2      C-13-H3C(O)CH3
  664304.3376  0.0077 -4.7674 3  193.1693440  5951614042719 8 0    261611 0      C-13-H3C(O)CH3
  664344.6805  0.0055 -3.5383 3  358.9231284  5951614043529 6 4    3428 6 4      C-13-H3C(O)CH3
  664345.4048  0.0099 -4.1068 3  611.9691396  595161404492227 3    482326 3      C-13-H3C(O)CH3
  664345.4708  0.0099 -4.1068 3  611.9690396  595161404492227 4    482326 4      C-13-H3C(O)CH3
  664345.5976  0.0099 -4.1068 3  611.9691396  595161404492327 3    482226 3      C-13-H3C(O)CH3
  664345.6623  0.0099 -4.1068 3  611.9690396  595161404492327 4    482226 4      C-13-H3C(O)CH3
  664402.8426  0.0062 -3.8277 3  596.5336776  595161404482325 0    472424 0      C-13-H3C(O)CH3
  664410.5982  0.0061 -3.8277 3  596.5334776 -595161404482425 0    472324 0      C-13-H3C(O)CH3
  664415.6957  0.1649 -6.2296 3 1024.5215636  59516140479 178 3    79 179 3      C-13-H3C(O)CH3
  664415.6957  0.1649 -6.2296 3 1024.5215636  59516140479 278 3    79 079 3      C-13-H3C(O)CH3
  664445.1773  0.0076 -3.8278 3  596.5184776  595161404482325 1    472424 1      C-13-H3C(O)CH3
  664453.3662  0.0075 -3.8278 3  596.5182776  595161404482425 1    472324 1      C-13-H3C(O)CH3
  664456.7526  0.0083 -3.8278 3  596.5163776  595161404482325 2    472424 2      C-13-H3C(O)CH3
  664465.1095  0.0082 -3.8278 3  596.5161776  595161404482425 2    472324 2      C-13-H3C(O)CH3
  664498.1826  0.1549 -5.8132 3 1121.5295D04  59516140481 378 1    81 279 1      C-13-H3C(O)CH3
  664498.1826  0.1549 -6.1116 3 1121.5295D04  59516140481 478 1    81 279 1      C-13-H3C(O)CH3
  664498.1826  0.1549 -5.8132 3 1121.5295D04  59516140481 478 1    81 379 1      C-13-H3C(O)CH3
  664498.1826  0.1549 -6.1116 3 1121.5295D04  59516140481 378 1    81 379 1      C-13-H3C(O)CH3
  664499.1140  0.0093 -4.1289 3  596.5011388  595161404482325 3    472424 3      C-13-H3C(O)CH3
  664499.1905  0.0093 -4.1289 3  596.5011388  595161404482325 4    472424 4      C-13-H3C(O)CH3
  664501.3904  0.1553 -5.7083 3 1121.5290D04  59516140481 478 2    81 379 2      C-13-H3C(O)CH3
  664501.3904  0.1553 -5.7083 3 1121.5290D04  59516140481 378 2    81 279 2      C-13-H3C(O)CH3
  664507.9840  0.0093 -4.1288 3  596.5009388  595161404482425 3    472324 3      C-13-H3C(O)CH3
  664508.0255  0.0093 -4.1288 3  596.5008388  595161404482425 4    472324 4      C-13-H3C(O)CH3
  664536.8225  0.0069 -3.7902 3  626.8005808 -595161404502129 0    492228 0      C-13-H3C(O)CH3
  664536.8225  0.0069 -3.7902 3  626.8005808 -595161404502229 0    492128 0      C-13-H3C(O)CH3
  664578.0337  0.0087 -3.7902 3  626.7855808  595161404502129 1    492228 1      C-13-H3C(O)CH3
  664578.0365  0.0087 -3.7902 3  626.7855808  595161404502229 1    492128 1      C-13-H3C(O)CH3
  664582.4188  0.1246 -6.1894 3 1259.5092A64  595161404664918 0    655015 0      C-13-H3C(O)CH3
  664582.4198  0.1246 -6.1894 3 1259.5092A64  595161404664917 0    655016 0      C-13-H3C(O)CH3
  664583.7096  0.0092 -3.7902 3  626.7844808  595161404502129 2    492228 2      C-13-H3C(O)CH3
  664583.7123  0.0092 -3.7902 3  626.7844808  595161404502229 2    492128 2      C-13-H3C(O)CH3
  664624.9564  0.0104 -4.0913 3  626.7694404  595161404502129 3    492228 3      C-13-H3C(O)CH3
  664624.9596  0.0104 -4.0913 3  626.7694404  595161404502229 3    492128 3      C-13-H3C(O)CH3
  664625.0221  0.0104 -4.0912 3  626.7693404  595161404502129 4    492228 4      C-13-H3C(O)CH3
  664625.0252  0.0104 -4.0912 3  626.7693404  595161404502229 4    492128 4      C-13-H3C(O)CH3
  664659.4519  0.0436 -6.2980 3  799.0236888  595161404552827 0    552530 0      C-13-H3C(O)CH3
  664669.4932  0.0084 -4.3583 3  373.9889300  595161404372513 4    362413 4      C-13-H3C(O)CH3
  664675.2552  0.0435 -6.2980 3  799.0236888  595161404552927 0    552630 0      C-13-H3C(O)CH3
  664708.9915  0.0624 -6.2979 3  799.0234888  595161404552827 2    552530 2      C-13-H3C(O)CH3
  664710.6040  0.0473 -6.2973 3  799.0234888  595161404552827 1    552530 1      C-13-H3C(O)CH3
  664713.2719  0.0067 -4.1920 3  374.0122600  595161404372513 2    362413 2      C-13-H3C(O)CH3
  664714.2448  0.0043 -5.1841 3  374.0090600  595161404372513 1    362413 1      C-13-H3C(O)CH3
  664726.0109  0.0621 -6.2979 3  799.0234888  595161404552927 2    552630 2      C-13-H3C(O)CH3
  664727.6908  0.0473 -6.2973 3  799.0234888  595161404552927 1    552630 1      C-13-H3C(O)CH3
  664762.0128  0.1504 -6.1895 3 1259.5508A64  595161404664917 2    655015 2      C-13-H3C(O)CH3
  664784.8051  0.0062 -4.7238 3  373.9902300  595161404372513 3    362413 3      C-13-H3C(O)CH3
  664787.1166  0.1329 -6.1894 3 1259.5021A64  595161404664918 1    655016 1      C-13-H3C(O)CH3
  664801.3284  0.0043 -5.0719 3  755.3990540  59516140467 265 3    66 264 3      C-13-H3C(O)CH3
  664801.3284  0.0043 -5.0719 3  755.3990540  59516140467 365 3    66 364 3      C-13-H3C(O)CH3
  664801.3303  0.0043 -3.9327 3  755.3990540  59516140467 365 4    66 364 4      C-13-H3C(O)CH3
  664801.3622  0.0043 -3.9327 3  755.3990540 -59516140467 265 4    66 264 4      C-13-H3C(O)CH3
  664801.3622  0.0043 -3.9655 3  755.3990540 -59516140467 265 3    66 364 3      C-13-H3C(O)CH3
  664801.3622  0.0043 -3.9655 3  755.3990540 -59516140467 365 3    66 264 3      C-13-H3C(O)CH3
  664826.7519  0.0070 -3.7848 3  755.3918A80 -59516140467 265 1    66 264 1      C-13-H3C(O)CH3
  664826.7519  0.0070 -4.1589 3  755.3918A80 -59516140467 265 1    66 364 1      C-13-H3C(O)CH3
  664826.7519  0.0070 -3.7848 3  755.3918A80 -59516140467 365 1    66 364 1      C-13-H3C(O)CH3
  664826.7519  0.0070 -4.1589 3  755.3918A80 -59516140467 365 1    66 264 1      C-13-H3C(O)CH3
  664826.7519  0.0071 -3.8071 3  755.3914A80 -59516140467 365 2    66 364 2      C-13-H3C(O)CH3
  664826.7519  0.0071 -4.1101 3  755.3914A80 -59516140467 365 2    66 264 2      C-13-H3C(O)CH3
  664826.7519  0.0071 -3.8071 3  755.3914A80 -59516140467 265 2    66 264 2      C-13-H3C(O)CH3
  664826.7519  0.0071 -4.1101 3  755.3914A80 -59516140467 265 2    66 364 2      C-13-H3C(O)CH3
  664828.1547  0.0058 -4.4290 3  199.1970236  595161404291217 4    281118 4      C-13-H3C(O)CH3
  664828.3989  0.0047 -4.4290 3  199.1970236  595161404291217 3    281118 3      C-13-H3C(O)CH3
  664828.9150  0.0058 -4.4290 3  199.1970236  595161404291317 4    281018 4      C-13-H3C(O)CH3
  664829.1635  0.0047 -4.4290 3  199.1970236  595161404291317 3    281018 3      C-13-H3C(O)CH3
  664835.9724  0.1399 -6.1893 3 1259.5437A64  595161404664917 1    655015 1      C-13-H3C(O)CH3
  664852.1622  0.0050 -3.6317 3  755.3843A80  59516140467 265 0    66 364 0      C-13-H3C(O)CH3
  664852.1622  0.0050 -3.6317 3  755.3843A80  59516140467 365 0    66 264 0      C-13-H3C(O)CH3
  664858.9856  0.1250 -6.1895 3 1259.5042A64  595161404664918 2    655016 2      C-13-H3C(O)CH3
  664899.3110  0.0143 -4.5913 3  224.2078472  595161404292010 2    281711 2      C-13-H3C(O)CH3
  664985.4988  0.0942 -5.8917 3 1121.5343D04  59516140481 478 0    81 279 0      C-13-H3C(O)CH3
  664985.4988  0.0942 -5.9863 3 1121.5343D04  59516140481 378 0    81 279 0      C-13-H3C(O)CH3
  664985.4988  0.0942 -5.8917 3 1121.5343D04  59516140481 378 0    81 379 0      C-13-H3C(O)CH3
  664985.4988  0.0942 -5.9863 3 1121.5343D04  59516140481 478 0    81 379 0      C-13-H3C(O)CH3
  665009.1322  0.0045 -4.1277 3  199.2029472  595161404291217 2    281118 2      C-13-H3C(O)CH3
  665009.9106  0.0045 -4.1277 3  199.2029472  595161404291317 2    281018 2      C-13-H3C(O)CH3
  665021.4653  0.0046 -3.3440 3  365.3576584 -595161404362710 1    352610 1      C-13-H3C(O)CH3
  665025.3010  0.0133 -4.5797 3  224.2234472  595161404292010 0    281711 0      C-13-H3C(O)CH3
  665032.5378  0.0046 -4.1278 3  199.2048472  595161404291217 1    281118 1      C-13-H3C(O)CH3
  665033.2793  0.0046 -4.1278 3  199.2048472  595161404291317 1    281018 1      C-13-H3C(O)CH3
  665038.5123  0.0053 -3.6446 3  365.3348292  595161404362710 4    352610 4      C-13-H3C(O)CH3
  665043.1277  0.1581 -5.7194 3 1072.7050C88  59516140480 378 2    80 279 2      C-13-H3C(O)CH3
  665043.1277  0.1581 -5.7194 3 1072.7050C88  59516140480 278 2    80 179 2      C-13-H3C(O)CH3
  665043.3222  0.1558 -5.7088 3 1072.7055C88  59516140480 378 1    80 179 1      C-13-H3C(O)CH3
  665043.3222  0.1558 -5.7088 3 1072.7055C88  59516140480 278 1    80 279 1      C-13-H3C(O)CH3
  665054.5266  0.0039 -3.3434 3  365.3913584 -595161404362710 0    3526 9 0      C-13-H3C(O)CH3
  665062.7049  0.0039 -3.3434 3  365.3911584  5951614043627 9 0    352610 0      C-13-H3C(O)CH3
  665075.8778  0.0044 -3.3434 3  365.3686584 -595161404362710 2    352610 2      C-13-H3C(O)CH3
  665078.7678  0.0072 -3.7789 3  640.9726824  595161404512131 0    502030 0      C-13-H3C(O)CH3
  665078.7678  0.0072 -3.7789 3  640.9726824  595161404512031 0    502130 0      C-13-H3C(O)CH3
  665118.9099  0.0093 -3.7789 3  640.9573824  595161404512131 1    502030 1      C-13-H3C(O)CH3
  665118.9099  0.0093 -3.7789 3  640.9573824  595161404512031 1    502130 1      C-13-H3C(O)CH3
  665123.1353  0.0097 -3.7788 3  640.9565824  595161404512131 2    502030 2      C-13-H3C(O)CH3
  665123.1353  0.0097 -3.7788 3  640.9565824  595161404512031 2    502130 2      C-13-H3C(O)CH3
  665130.8215  0.0050 -3.6450 3  365.3460292  5951614043627 9 3    3526 9 3      C-13-H3C(O)CH3
  665163.3339  0.0110 -4.0799 3  640.9411412  595161404512031 3    502130 3      C-13-H3C(O)CH3
  665163.3339  0.0110 -4.0799 3  640.9411412  595161404512131 3    502030 3      C-13-H3C(O)CH3
  665163.3972  0.0110 -4.0799 3  640.9411412  595161404512031 4    502130 4      C-13-H3C(O)CH3
  665163.3972  0.0110 -4.0799 3  640.9411412  595161404512131 4    502030 4      C-13-H3C(O)CH3
  665167.3393  0.0040 -3.3436 3  365.3798584 -5951614043627 9 2    3526 9 2      C-13-H3C(O)CH3
  665177.4302  0.0038 -3.3438 3  365.3614584 -5951614043627 9 1    3526 9 1      C-13-H3C(O)CH3
  665195.6464  0.0047 -3.6446 3  365.3387292  595161404362710 3    352610 3      C-13-H3C(O)CH3
  665212.9346  0.0046 -4.1274 3  199.2107472  595161404291217 0    281118 0      C-13-H3C(O)CH3
  665213.6905  0.0046 -4.1274 3  199.2107472  595161404291317 0    281018 0      C-13-H3C(O)CH3
  665221.8763  0.0101 -5.9233 3  128.6584376  595161404231310 2    221013 2      C-13-H3C(O)CH3
  665228.0780  0.0049 -3.6208 3  370.2194600 -595161404372413 0    362314 0      C-13-H3C(O)CH3
  665237.4287  0.0111 -6.2268 3  128.6709188  595161404231310 3    221013 3      C-13-H3C(O)CH3
  665241.1529  0.0075 -4.6320 3  729.0119968  595161404601150 0    591149 0      C-13-H3C(O)CH3
  665241.1529  0.0075 -3.7619 3  729.0119968  595161404601050 0    591149 0      C-13-H3C(O)CH3
  665241.1529  0.0075 -4.6320 3  729.0119968  595161404601050 0    591049 0      C-13-H3C(O)CH3
  665241.1529  0.0075 -3.7619 3  729.0119968  595161404601150 0    591049 0      C-13-H3C(O)CH3
  665251.2583  0.0154 -4.4427 3  728.9828968  595161404601050 1    591049 1      C-13-H3C(O)CH3
  665251.2583  0.0154 -3.7951 3  728.9828968  595161404601150 1    591049 1      C-13-H3C(O)CH3
  665251.2583  0.0154 -4.4427 3  728.9828968  595161404601150 1    591149 1      C-13-H3C(O)CH3
  665251.2583  0.0154 -3.7951 3  728.9828968  595161404601050 1    591149 1      C-13-H3C(O)CH3
  665251.7803  0.0152 -4.7316 3  728.9825968  595161404601150 2    591049 2      C-13-H3C(O)CH3
  665251.7803  0.0152 -4.7316 3  728.9825968  595161404601050 2    591149 2      C-13-H3C(O)CH3
  665251.7803  0.0152 -3.7500 3  728.9825968  595161404601050 2    591049 2      C-13-H3C(O)CH3
  665251.7803  0.0152 -3.7500 3  728.9825968  595161404601150 2    591149 2      C-13-H3C(O)CH3
  665253.6903  0.0060 -3.8615 3  580.3345760  595161404472423 0    462522 0      C-13-H3C(O)CH3
  665260.4336  0.0149 -6.2269 3  128.6709188  595161404231310 4    221013 4      C-13-H3C(O)CH3
  665261.8887  0.0100 -5.7434 3  728.9533484  595161404601050 4    591149 4      C-13-H3C(O)CH3
  665261.8887  0.0100 -5.7434 3  728.9533484  595161404601150 4    591049 4      C-13-H3C(O)CH3
  665261.8887  0.0100 -4.0159 3  728.9533484  595161404601050 4    591049 4      C-13-H3C(O)CH3
  665261.8887  0.0100 -4.0159 3  728.9533484  595161404601150 4    591149 4      C-13-H3C(O)CH3
  665261.9062  0.0100 -4.4113 3  728.9533484  595161404601050 3    591149 3      C-13-H3C(O)CH3
  665261.9062  0.0100 -4.2261 3  728.9533484  595161404601150 3    591149 3      C-13-H3C(O)CH3
  665261.9062  0.0100 -4.4113 3  728.9533484  595161404601150 3    591049 3      C-13-H3C(O)CH3
  665261.9062  0.0100 -4.2261 3  728.9533484  595161404601050 3    591049 3      C-13-H3C(O)CH3
  665272.2911  0.0051 -3.6213 3  370.1985600  595161404372413 1    362314 1      C-13-H3C(O)CH3
  665280.3383  0.0061 -3.6234 3  370.1976600  595161404372413 2    362314 2      C-13-H3C(O)CH3
  665287.4738  0.0046 -3.6446 3  365.3498292  5951614043627 9 4    3526 9 4      C-13-H3C(O)CH3
  665292.3787  0.0072 -3.8616 3  580.3187760  595161404472423 1    462522 1      C-13-H3C(O)CH3
  665307.2368  0.0067 -3.9232 3  370.1767300  595161404372413 3    362314 3      C-13-H3C(O)CH3
  665308.6595  0.0163 -6.2377 3  589.8081776  595161404482226 0    481929 0      C-13-H3C(O)CH3
  665308.6792  0.0083 -3.8617 3  580.3157760  595161404472423 2    462522 2      C-13-H3C(O)CH3
  665308.7870  0.0163 -6.2377 3  589.8081776  595161404482326 0    482029 0      C-13-H3C(O)CH3
  665318.8491  0.1653 -5.7746 3 1005.0255484  595161404604021 4    594119 4      C-13-H3C(O)CH3
  665332.0330  0.0147 -4.2284 3  563.2839372  595161404462521 3    452620 3      C-13-H3C(O)CH3
  665336.4075  0.0151 -4.2284 3  563.2838372  595161404462521 4    452620 4      C-13-H3C(O)CH3
  665340.4039  0.0070 -3.9265 3  370.1764300  595161404372413 4    362314 4      C-13-H3C(O)CH3
  665346.9852  0.0157 -3.9270 3  563.2998744  595161404462521 2    452620 2      C-13-H3C(O)CH3
  665347.0810  0.0090 -4.1628 3  580.3000380  595161404472423 3    462522 3      C-13-H3C(O)CH3
  665347.4536  0.0091 -4.1628 3  580.2999380  595161404472423 4    462522 4      C-13-H3C(O)CH3
  665350.8869  0.0169 -6.2081 3  224.2075236  5951614042920 9 3    281711 3      C-13-H3C(O)CH3
  665356.8886  0.0101 -3.9267 3  563.3040744  595161404462521 1    452620 1      C-13-H3C(O)CH3
  665368.7974  0.0109 -3.9263 3  563.3198744  595161404462521 0    452620 0      C-13-H3C(O)CH3
  665430.5371  0.0225 -6.2376 3  589.7877776  595161404482226 2    481929 2      C-13-H3C(O)CH3
  665430.6793  0.0225 -6.2376 3  589.7877776  595161404482326 2    482029 2      C-13-H3C(O)CH3
  665441.7117  0.0178 -6.2362 3  589.7887776  595161404482226 1    481929 1      C-13-H3C(O)CH3
  665441.8513  0.0178 -6.2362 3  589.7887776  595161404482326 1    482029 1      C-13-H3C(O)CH3
  665457.0721  0.0096 -5.9217 3  128.6483376  595161404231310 0    221013 0      C-13-H3C(O)CH3
  665481.6034  0.0100 -5.9244 3  128.6607376  595161404231310 1    221013 1      C-13-H3C(O)CH3
  665522.4496  0.0058 -3.8611 3  580.3275760 -595161404472523 0    462422 0      C-13-H3C(O)CH3
  665531.2417  0.1595 -5.4855 3 1004.9851968  595161404604021 2    594119 2      C-13-H3C(O)CH3
  665550.5572  0.0141 -5.5312 3  224.2228472  5951614042920 9 1    281711 1      C-13-H3C(O)CH3
  665570.8814  0.0070 -3.8612 3  580.3115760  595161404472523 1    462422 1      C-13-H3C(O)CH3
  665576.0143  0.2594 -6.2295 3 1005.0313484  595161404604021 3    594118 3      C-13-H3C(O)CH3
  665578.4515  0.0183 -5.6371 3  224.2072236  5951614042920 9 4    281711 4      C-13-H3C(O)CH3
  665592.5898  0.0073 -3.8612 3  580.3084760  595161404472523 2    462422 2      C-13-H3C(O)CH3
  665600.9530  0.3549 -5.9684 3 1024.4588C72  59516140479 278 2    79 079 2      C-13-H3C(O)CH3
  665600.9530  0.3549 -5.9684 3 1024.4588C72  59516140479 178 2    79 179 2      C-13-H3C(O)CH3
  665609.1047  0.3466 -6.2648 3 1024.4590C72  59516140479 178 1    79 179 1      C-13-H3C(O)CH3
  665609.1047  0.3466 -6.1551 3 1024.4590C72  59516140479 178 1    79 079 1      C-13-H3C(O)CH3
  665609.1047  0.3466 -6.2648 3 1024.4590C72  59516140479 278 1    79 079 1      C-13-H3C(O)CH3
  665609.1047  0.3466 -6.1551 3 1024.4590C72  59516140479 278 1    79 179 1      C-13-H3C(O)CH3
  665641.0837  0.0082 -4.1623 3  580.2923380  595161404472523 4    462422 4      C-13-H3C(O)CH3
  665641.3950  0.0083 -4.1623 3  580.2924380  595161404472523 3    462422 3      C-13-H3C(O)CH3
  665648.3338  0.1565 -5.4940 3 1004.9806968  595161404604021 1    594119 1      C-13-H3C(O)CH3
  665652.8891  0.1444 -5.9538 3 1005.0287484  595161404604021 3    594119 3      C-13-H3C(O)CH3
  665756.4766  0.1840 -5.0366 3  709.0469412  595161404513120 3    503219 3      C-13-H3C(O)CH3
  665780.4415  0.1595 -5.4684 3 1004.9404968  595161404604021 0    594118 0      C-13-H3C(O)CH3
  665781.0300  0.0040 -3.5117 3  374.0315600  595161404372512 0    362413 0      C-13-H3C(O)CH3
  665785.6080  0.0075 -6.1900 3  654.5415840  595161404521933 0    511932 0      C-13-H3C(O)CH3
  665785.6080  0.0075 -3.7718 3  654.5415840  595161404521933 0    512032 0      C-13-H3C(O)CH3
  665785.6080  0.0075 -6.1533 3  654.5415840  595161404522033 0    512032 0      C-13-H3C(O)CH3
  665785.6080  0.0075 -3.7721 3  654.5415840  595161404522033 0    511932 0      C-13-H3C(O)CH3
  665809.9694  0.1510 -5.9538 3 1005.0313484  595161404604020 3    594118 3      C-13-H3C(O)CH3
  665824.4309  0.0099 -3.7705 3  654.5257840  595161404521933 1    512032 1      C-13-H3C(O)CH3
  665824.4309  0.0099 -3.7714 3  654.5257840  595161404522033 1    511932 1      C-13-H3C(O)CH3
  665824.9604  0.0057 -3.5213 3  374.0090600  595161404372512 1    362413 1      C-13-H3C(O)CH3
  665827.6546  0.0102 -3.7702 3  654.5250840  595161404521933 2    512032 2      C-13-H3C(O)CH3
  665827.6546  0.0102 -3.7703 3  654.5250840  595161404522033 2    511932 2      C-13-H3C(O)CH3
  665837.0356  0.1157 -5.8048 3 1072.6830C88  59516140480 378 0    80 279 0      C-13-H3C(O)CH3
  665837.0356  0.1157 -5.8048 3 1072.6830C88  59516140480 278 0    80 179 0      C-13-H3C(O)CH3
  665866.5323  0.0114 -4.0713 3  654.5091420  595161404522033 3    511932 3      C-13-H3C(O)CH3
  665866.5323  0.0114 -4.0713 3  654.5091420  595161404521933 3    512032 3      C-13-H3C(O)CH3
  665866.5918  0.0114 -4.0714 3  654.5091420  595161404521933 4    512032 4      C-13-H3C(O)CH3
  665866.5918  0.0114 -4.0713 3  654.5091420  595161404522033 4    511932 4      C-13-H3C(O)CH3
  665886.8443  0.2145 -6.2289 3 1005.0287484  595161404604020 3    594119 3      C-13-H3C(O)CH3
  665981.4868  0.1373 -5.4852 3 1004.9909968  595161404604020 2    594118 2      C-13-H3C(O)CH3
  665984.0099  0.0158 -3.8694 3  373.9902300  595161404372512 3    362413 3      C-13-H3C(O)CH3
  665984.3505  0.0052 -3.9600 3  759.0409548 -59516140468 167 3    67 266 3      C-13-H3C(O)CH3
  665984.3505  0.0052 -4.8534 3  759.0409548 -59516140468 267 4    67 166 4      C-13-H3C(O)CH3
  665984.3505  0.0052 -5.0232 3  759.0409548 -59516140468 267 3    67 266 3      C-13-H3C(O)CH3
  665984.3505  0.0052 -4.8534 3  759.0409548 -59516140468 167 4    67 266 4      C-13-H3C(O)CH3
  665984.3941  0.0052 -3.9600 3  759.0409548  59516140468 267 3    67 166 3      C-13-H3C(O)CH3
  665984.3941  0.0052 -5.0232 3  759.0409548  59516140468 167 3    67 166 3      C-13-H3C(O)CH3
  665984.4106  0.0052 -3.9783 3  759.0409548  59516140468 267 4    67 266 4      C-13-H3C(O)CH3
  665984.4106  0.0052 -3.9783 3  759.0409548  59516140468 167 4    67 166 4      C-13-H3C(O)CH3
  666003.0679  0.0077 -3.7433 3  759.0102A96 -59516140468 167 2    67 166 2      C-13-H3C(O)CH3
  666003.0679  0.0075 -3.7087 3  759.0106A96 -59516140468 167 1    67 166 1      C-13-H3C(O)CH3
  666003.0679  0.0077 -4.2388 3  759.0102A96 -59516140468 267 2    67 166 2      C-13-H3C(O)CH3
  666003.0679  0.0075 -4.3691 3  759.0106A96 -59516140468 267 1    67 166 1      C-13-H3C(O)CH3
  666003.0724  0.0077 -4.2388 3  759.0102A96  59516140468 167 2    67 266 2      C-13-H3C(O)CH3
  666003.0724  0.0077 -3.7433 3  759.0102A96  59516140468 267 2    67 266 2      C-13-H3C(O)CH3
  666003.1335  0.0075 -4.3691 3  759.0106A96  59516140468 167 1    67 266 1      C-13-H3C(O)CH3
  666003.1335  0.0075 -3.7087 3  759.0106A96  59516140468 267 1    67 266 1      C-13-H3C(O)CH3
  666009.9606  0.1606 -5.4680 3 1004.9402968  595161404604020 0    594119 0      C-13-H3C(O)CH3
  666021.1510  0.0134 -6.1500 3  224.2078472  5951614042920 9 2    281711 2      C-13-H3C(O)CH3
  666021.6852  0.0053 -3.6303 3  758.9799A96 -59516140468 267 0    67 166 0      C-13-H3C(O)CH3
  666021.6852  0.0053 -3.6303 3  758.9799A96 -59516140468 167 0    67 266 0      C-13-H3C(O)CH3
  666021.6852  0.0053 -5.3857 3  758.9799A96 -59516140468 167 0    67 166 0      C-13-H3C(O)CH3
  666021.6852  0.0053 -5.3857 3  758.9799A96 -59516140468 267 0    67 266 0      C-13-H3C(O)CH3
  666045.3110  0.0175 -3.6129 3  374.0122600  595161404372512 2    362413 2      C-13-H3C(O)CH3
  666077.2800  0.1579 -5.0570 3  709.0373412  595161404513120 4    503219 4      C-13-H3C(O)CH3
  666090.8342  0.1677 -5.4936 3 1004.9839968  595161404604020 1    594118 1      C-13-H3C(O)CH3
  666140.0249  0.1374 -5.4463 3  855.4296452  595161404563423 4    553520 4      C-13-H3C(O)CH3
  666145.4849  0.1314 -5.7741 3 1005.0346484  595161404604020 4    594118 4      C-13-H3C(O)CH3
  666172.4123  0.0237 -3.9580 3  373.9889300  595161404372512 4    362413 4      C-13-H3C(O)CH3
  666214.2472  0.0074 -6.1154 3  115.4670360  595161404221310 2    21 813 2      C-13-H3C(O)CH3
  666274.2410  0.0072 -6.1154 3  115.4689360  595161404221310 1    21 813 1      C-13-H3C(O)CH3
  666355.1883  0.0077 -4.6000 3  736.9710984  595161404611052 0    601051 0      C-13-H3C(O)CH3
  666355.1883  0.0077 -3.7613 3  736.9710984  59516140461 952 0    601051 0      C-13-H3C(O)CH3
  666355.1883  0.0077 -4.6000 3  736.9710984  59516140461 952 0    60 951 0      C-13-H3C(O)CH3
  666355.1883  0.0077 -3.7613 3  736.9710984  595161404611052 0    60 951 0      C-13-H3C(O)CH3
  666358.8968  0.2890 -5.7577 3  894.0930460  595161404573622 4    563719 4      C-13-H3C(O)CH3
  666359.9626  0.0158 -3.7075 3  736.9407984  59516140461 952 1    601051 1      C-13-H3C(O)CH3
  666359.9626  0.0158 -3.7075 3  736.9407984  595161404611052 1    60 951 1      C-13-H3C(O)CH3
  666359.9626  0.0158 -5.6375 3  736.9407984  59516140461 952 1    60 951 1      C-13-H3C(O)CH3
  666359.9626  0.0158 -5.6375 3  736.9407984  595161404611052 1    601051 1      C-13-H3C(O)CH3
  666360.4279  0.0156 -4.3255 3  736.9404984  595161404611052 2    601051 2      C-13-H3C(O)CH3
  666360.4279  0.0156 -3.8206 3  736.9404984  595161404611052 2    60 951 2      C-13-H3C(O)CH3
  666360.4279  0.0156 -4.3255 3  736.9404984  59516140461 952 2    60 951 2      C-13-H3C(O)CH3
  666360.4279  0.0156 -3.8206 3  736.9404984  59516140461 952 2    601051 2      C-13-H3C(O)CH3
  666365.1895  0.0095 -4.2927 3  736.9100492  595161404611052 4    60 951 4      C-13-H3C(O)CH3
  666365.1895  0.0095 -4.2927 3  736.9100492  59516140461 952 4    601051 4      C-13-H3C(O)CH3
  666365.1895  0.0095 -4.3165 3  736.9100492  59516140461 952 4    60 951 4      C-13-H3C(O)CH3
  666365.1895  0.0095 -4.3165 3  736.9100492  595161404611052 4    601051 4      C-13-H3C(O)CH3
  666365.2176  0.0095 -4.0036 3  736.9100492  595161404611052 3    601051 3      C-13-H3C(O)CH3
  666365.2176  0.0095 -4.0036 3  736.9100492  59516140461 952 3    60 951 3      C-13-H3C(O)CH3
  666406.9199  0.0814 -5.4292 3  855.4216452  595161404563423 3    553520 3      C-13-H3C(O)CH3
  666538.2138  0.0382 -4.3485 3  567.7889372  595161404462620 3    452719 3      C-13-H3C(O)CH3
  666542.6300  0.1019 -5.1349 3  855.4092904  595161404563423 2    553520 2      C-13-H3C(O)CH3
  666556.2022  0.0388 -4.3485 3  567.7885372  595161404462620 4    452719 4      C-13-H3C(O)CH3
  666561.9504  0.0075 -6.1135 3  115.4510360  595161404221310 0    21 813 0      C-13-H3C(O)CH3
  666603.1950  0.0077 -3.7644 3  667.5238856  595161404531835 0    521934 0      C-13-H3C(O)CH3
  666603.1950  0.0077 -3.7644 3  667.5238856  595161404531935 0    521834 0      C-13-H3C(O)CH3
  666605.8157  0.0647 -5.1339 3  855.4074904  595161404563423 1    553520 1      C-13-H3C(O)CH3
  666626.1135  0.1767 -4.7405 3  709.0365824  595161404513120 2    503219 2      C-13-H3C(O)CH3
  666640.4277  0.0105 -3.9911 3  667.5072856  595161404531935 1    521834 1      C-13-H3C(O)CH3
  666640.4277  0.0105 -3.9542 3  667.5072856  595161404531935 1    521934 1      C-13-H3C(O)CH3
  666640.4277  0.0105 -5.4318 3  667.5072856  595161404531835 1    521834 1      C-13-H3C(O)CH3
  666640.4277  0.0105 -3.7672 3  667.5072856  595161404531835 1    521934 1      C-13-H3C(O)CH3
  666642.9284  0.0107 -4.0927 3  667.5066856  595161404531835 2    521934 2      C-13-H3C(O)CH3
  666642.9284  0.0107 -4.0380 3  667.5066856  595161404531835 2    521834 2      C-13-H3C(O)CH3
  666642.9284  0.0107 -4.6286 3  667.5066856  595161404531935 2    521934 2      C-13-H3C(O)CH3
  666642.9284  0.0107 -3.8272 3  667.5066856  595161404531935 2    521834 2      C-13-H3C(O)CH3
  666680.2132  0.0118 -4.1903 3  667.4900428  595161404531835 3    521834 3      C-13-H3C(O)CH3
  666680.2132  0.0118 -4.6638 3  667.4900428  595161404531835 3    521934 3      C-13-H3C(O)CH3
  666680.2132  0.0118 -4.1903 3  667.4900428  595161404531935 3    521934 3      C-13-H3C(O)CH3
  666680.2132  0.0118 -4.6638 3  667.4900428  595161404531935 3    521834 3      C-13-H3C(O)CH3
  666680.2679  0.0118 -4.3633 3  667.4900428  595161404531935 4    521934 4      C-13-H3C(O)CH3
  666680.2679  0.0118 -4.3677 3  667.4900428  595161404531935 4    521834 4      C-13-H3C(O)CH3
  666680.2679  0.0118 -4.3633 3  667.4900428  595161404531835 4    521834 4      C-13-H3C(O)CH3
  666680.2679  0.0118 -4.3677 3  667.4900428  595161404531835 4    521934 4      C-13-H3C(O)CH3
  666700.9165  0.0414 -4.0463 3  567.8025744  595161404462620 2    452719 2      C-13-H3C(O)CH3
  666791.5226  0.2361 -5.9402 3 1024.3964C72  59516140479 278 0    79 179 0      C-13-H3C(O)CH3
  666791.5226  0.2361 -5.9402 3 1024.3964C72  59516140479 178 0    79 079 0      C-13-H3C(O)CH3
  666823.6507  0.0227 -4.0454 3  567.8062744  595161404462620 1    452719 1      C-13-H3C(O)CH3
  666872.6897  0.0537 -5.1320 3  855.3912904  595161404563423 0    553520 0      C-13-H3C(O)CH3
  666909.7636  0.1034 -4.7368 3  709.0348824  595161404513120 1    503219 1      C-13-H3C(O)CH3
  666976.0529  0.0274 -4.0442 3  567.8201744  595161404462620 0    452719 0      C-13-H3C(O)CH3
  666977.1148  0.4805 -6.2511 3 1730.1523E96  595161404931479 1    931380 1      C-13-H3C(O)CH3
  666977.1148  0.4805 -6.2511 3 1730.1523E96  595161404931579 1    931480 1      C-13-H3C(O)CH3
  666986.3874  0.4802 -6.2849 3 1730.1525E96  595161404931479 2    931480 2      C-13-H3C(O)CH3
  666986.3874  0.4802 -6.2849 3 1730.1525E96  595161404931579 2    931380 2      C-13-H3C(O)CH3
  667181.8154  0.0085 -4.0846 3  762.1567556 -59516140469 069 3    68 168 3      C-13-H3C(O)CH3
  667181.8154  0.0085 -5.6334 3  762.1567556 -59516140469 069 4    68 168 4      C-13-H3C(O)CH3
  667181.8154  0.0085 -4.4038 3  762.1567556 -59516140469 169 3    68 168 3      C-13-H3C(O)CH3
  667181.8154  0.0085 -3.9229 3  762.1567556 -59516140469 069 4    68 068 4      C-13-H3C(O)CH3
  667181.8154  0.0085 -3.9229 3  762.1567556 -59516140469 169 4    68 168 4      C-13-H3C(O)CH3
  667181.8154  0.0085 -5.6334 3  762.1567556 -59516140469 169 4    68 068 4      C-13-H3C(O)CH3
  667181.8154  0.0085 -4.0846 3  762.1567556 -59516140469 169 3    68 068 3      C-13-H3C(O)CH3
  667181.8154  0.0085 -4.4038 3  762.1567556 -59516140469 069 3    68 068 3      C-13-H3C(O)CH3
  667185.1172  0.0140 -5.9321 3  762.0931B12 -59516140469 169 1    68 168 1      C-13-H3C(O)CH3
  667185.1172  0.0145 -4.4731 3  762.0928B12 -59516140469 069 2    68 168 2      C-13-H3C(O)CH3
  667185.1172  0.0145 -3.6779 3  762.0928B12 -59516140469 169 2    68 168 2      C-13-H3C(O)CH3
  667185.1172  0.0145 -3.6779 3  762.0928B12 -59516140469 069 2    68 068 2      C-13-H3C(O)CH3
  667185.1172  0.0140 -5.9321 3  762.0931B12 -59516140469 069 1    68 068 1      C-13-H3C(O)CH3
  667185.1172  0.0140 -3.6154 3  762.0931B12 -59516140469 069 1    68 168 1      C-13-H3C(O)CH3
  667185.1172  0.0145 -4.4731 3  762.0928B12 -59516140469 169 2    68 068 2      C-13-H3C(O)CH3
  667185.1172  0.0140 -3.6154 3  762.0931B12 -59516140469 169 1    68 068 1      C-13-H3C(O)CH3
  667188.3553  0.0101 -3.8510 3  762.0294B12  59516140469 069 0    68 168 0      C-13-H3C(O)CH3
  667188.3553  0.0101 -3.9883 3  762.0294B12  59516140469 169 0    68 168 0      C-13-H3C(O)CH3
  667188.4520  0.0101 -3.8510 3  762.0294B12 -59516140469 169 0    68 068 0      C-13-H3C(O)CH3
  667188.4520  0.0101 -3.9883 3  762.0294B12 -59516140469 069 0    68 068 0      C-13-H3C(O)CH3
  667210.5712  0.2173 -5.3396 3  894.0472920  595161404573622 2    563719 2      C-13-H3C(O)CH3
  667257.1811  0.1517 -5.4903 3  894.0682460  595161404573622 3    563719 3      C-13-H3C(O)CH3
  667405.6194  0.1416 -5.3121 3  894.0400920  595161404573622 1    563719 1      C-13-H3C(O)CH3
  667410.7687  0.3471 -6.2192 3 1674.3896E80  595161404921379 0    921380 0      C-13-H3C(O)CH3
  667410.7687  0.3471 -6.2192 3 1674.3896E80  595161404921479 0    921280 0      C-13-H3C(O)CH3
  667479.5028  0.0089 -4.2186 3  744.3267500  59516140462 854 4    61 953 4      C-13-H3C(O)CH3
  667479.5028  0.0089 -4.3995 3  744.3267500  59516140462 854 4    61 853 4      C-13-H3C(O)CH3
  667479.5028  0.0089 -4.2186 3  744.3267500  59516140462 954 4    61 853 4      C-13-H3C(O)CH3
  667479.5028  0.0089 -4.3995 3  744.3267500  59516140462 954 4    61 953 4      C-13-H3C(O)CH3
  667479.5408  0.0089 -4.0010 3  744.3268500  59516140462 954 3    61 853 3      C-13-H3C(O)CH3
  667479.5408  0.0089 -6.2601 3  744.3268500  59516140462 954 3    61 953 3      C-13-H3C(O)CH3
  667479.5408  0.0089 -4.0010 3  744.3268500  59516140462 854 3    61 953 3      C-13-H3C(O)CH3
  667479.5408  0.0089 -6.2601 3  744.3268500  59516140462 854 3    61 853 3      C-13-H3C(O)CH3
  667480.1002  0.0157 -3.7491 3  744.3581A00  59516140462 954 1    61 953 1      C-13-H3C(O)CH3
  667480.1002  0.0157 -4.6501 3  744.3581A00  59516140462 954 1    61 853 1      C-13-H3C(O)CH3
  667480.1002  0.0157 -4.6501 3  744.3581A00  59516140462 854 1    61 953 1      C-13-H3C(O)CH3
  667480.1002  0.0157 -3.7491 3  744.3581A00  59516140462 854 1    61 853 1      C-13-H3C(O)CH3
  667480.5247  0.0155 -3.8142 3  744.3578A00  59516140462 954 2    61 853 2      C-13-H3C(O)CH3
  667480.5247  0.0155 -4.3259 3  744.3578A00  59516140462 854 2    61 853 2      C-13-H3C(O)CH3
  667480.5247  0.0155 -3.8142 3  744.3578A00  59516140462 854 2    61 953 2      C-13-H3C(O)CH3
  667480.5247  0.0155 -4.3259 3  744.3578A00  59516140462 954 2    61 953 2      C-13-H3C(O)CH3
  667481.0939  0.0077 -3.9802 3  744.3891A00  59516140462 954 0    61 853 0      C-13-H3C(O)CH3
  667481.0939  0.0077 -4.0182 3  744.3891A00  59516140462 954 0    61 953 0      C-13-H3C(O)CH3
  667481.0939  0.0077 -4.0182 3  744.3891A00  59516140462 854 0    61 853 0      C-13-H3C(O)CH3
  667481.0939  0.0077 -3.9802 3  744.3891A00  59516140462 854 0    61 953 0      C-13-H3C(O)CH3
  667498.2491  0.0078 -4.6903 3  679.9312872  595161404541737 0    531836 0      C-13-H3C(O)CH3
  667498.2491  0.0078 -4.5747 3  679.9312872  595161404541837 0    531736 0      C-13-H3C(O)CH3
  667498.2491  0.0078 -3.8300 3  679.9312872  595161404541837 0    531836 0      C-13-H3C(O)CH3
  667498.2491  0.0078 -3.8121 3  679.9312872  595161404541737 0    531736 0      C-13-H3C(O)CH3
  667533.6097  0.0110 -3.7591 3  679.9136872  595161404541837 1    531836 1      C-13-H3C(O)CH3
  667533.6097  0.0110 -3.7591 3  679.9136872  595161404541737 1    531736 1      C-13-H3C(O)CH3
  667535.5711  0.0112 -5.4950 3  679.9131872  595161404541837 2    531836 2      C-13-H3C(O)CH3
  667535.5711  0.0112 -3.7661 3  679.9131872  595161404541837 2    531736 2      C-13-H3C(O)CH3
  667535.5711  0.0112 -5.4950 3  679.9131872  595161404541737 2    531736 2      C-13-H3C(O)CH3
  667535.5711  0.0112 -3.7661 3  679.9131872  595161404541737 2    531836 2      C-13-H3C(O)CH3
  667546.2195  0.4349 -6.1744 3 1674.3999E80  595161404921479 2    921280 2      C-13-H3C(O)CH3
  667546.2195  0.4349 -6.1650 3 1674.3999E80  595161404921379 2    921380 2      C-13-H3C(O)CH3
  667570.9809  0.0120 -4.3191 3  679.8955436  595161404541737 3    531736 3      C-13-H3C(O)CH3
  667570.9809  0.0120 -4.3191 3  679.8955436  595161404541837 3    531836 3      C-13-H3C(O)CH3
  667570.9809  0.0120 -4.4053 3  679.8955436  595161404541837 3    531736 3      C-13-H3C(O)CH3
  667570.9809  0.0120 -4.4053 3  679.8955436  595161404541737 3    531836 3      C-13-H3C(O)CH3
  667571.0298  0.0120 -5.2856 3  679.8954436  595161404541837 4    531736 4      C-13-H3C(O)CH3
  667571.0298  0.0120 -4.0856 3  679.8954436  595161404541837 4    531836 4      C-13-H3C(O)CH3
  667571.0298  0.0120 -5.2856 3  679.8954436  595161404541737 4    531836 4      C-13-H3C(O)CH3
  667571.0298  0.0120 -4.0856 3  679.8954436  595161404541737 4    531736 4      C-13-H3C(O)CH3
  667623.1370  0.1144 -4.7311 3  709.0294824  595161404513120 0    503219 0      C-13-H3C(O)CH3
  667655.4236  0.0205 -6.2150 3  171.1403408  5951614042520 6 2    2417 7 2      C-13-H3C(O)CH3
  667719.6230  0.0228 -6.0301 3  171.1178204  5951614042520 6 3    2417 7 3      C-13-H3C(O)CH3
  667870.0675  0.0140 -5.6004 3  171.1178204  5951614042520 5 3    2417 7 3      C-13-H3C(O)CH3
  667902.5052  0.1730 -5.6551 3  975.8814968  595161404603526 0    593623 0      C-13-H3C(O)CH3
  667929.7423  0.3008 -6.1515 3 1619.2165E64  595161404911379 0    911180 0      C-13-H3C(O)CH3
  667929.7423  0.3008 -6.1515 3 1619.2165E64  595161404911279 0    911280 0      C-13-H3C(O)CH3
  667992.6689  0.0980 -5.1791 3  894.0006920  595161404573622 0    563719 0      C-13-H3C(O)CH3
  668091.1415  0.3659 -6.2981 3 1619.2204E64  595161404911379 1    911280 1      C-13-H3C(O)CH3
  668091.1415  0.3659 -6.2981 3 1619.2204E64  595161404911279 1    911180 1      C-13-H3C(O)CH3
  668094.4235  0.3717 -6.1629 3 1619.2202E64  595161404911379 2    911280 2      C-13-H3C(O)CH3
  668094.4235  0.3717 -6.1629 3 1619.2202E64  595161404911279 2    911180 2      C-13-H3C(O)CH3
  668154.2758  0.0151 -5.4757 3  171.1489204  5951614042520 5 4    2417 7 4      C-13-H3C(O)CH3
  668330.2601  0.0128 -5.4685 3  171.0570204  5951614042520 6 4    2417 8 4      C-13-H3C(O)CH3
  668436.5547  0.1608 -5.6479 3  975.8709968  595161404603526 1    593623 1      C-13-H3C(O)CH3
  668444.2308  0.2477 -6.2399 3 1564.6179E48  595161404901179 0    901080 0      C-13-H3C(O)CH3
  668444.2308  0.2477 -6.2399 3 1564.6179E48  595161404901279 0    901180 0      C-13-H3C(O)CH3
  668449.3973  0.0078 -4.3510 3  691.7722888  595161404551639 0    541738 0      C-13-H3C(O)CH3
  668449.3973  0.0078 -3.8801 3  691.7722888  595161404551639 0    541638 0      C-13-H3C(O)CH3
  668449.3973  0.0078 -4.3510 3  691.7722888  595161404551739 0    541638 0      C-13-H3C(O)CH3
  668449.3973  0.0078 -3.8801 3  691.7722888  595161404551739 0    541738 0      C-13-H3C(O)CH3
  668451.2672  0.2306 -5.6481 3  975.8716968  595161404603526 2    593623 2      C-13-H3C(O)CH3
  668482.5811  0.0117 -3.7844 3  691.7534888  595161404551639 1    541638 1      C-13-H3C(O)CH3
  668482.5811  0.0117 -3.7844 3  691.7534888  595161404551739 1    541738 1      C-13-H3C(O)CH3
  668482.5811  0.0117 -4.9174 3  691.7534888  595161404551739 1    541638 1      C-13-H3C(O)CH3
  668482.5811  0.0117 -4.9174 3  691.7534888  595161404551639 1    541738 1      C-13-H3C(O)CH3
  668484.1307  0.0117 -3.8945 3  691.7530888  595161404551639 2    541738 2      C-13-H3C(O)CH3
  668484.1307  0.0117 -3.8945 3  691.7530888  595161404551739 2    541638 2      C-13-H3C(O)CH3
  668484.1307  0.0117 -4.3109 3  691.7530888  595161404551639 2    541638 2      C-13-H3C(O)CH3
  668484.1307  0.0117 -4.3109 3  691.7530888  595161404551739 2    541738 2      C-13-H3C(O)CH3
  668499.1424  0.1127 -5.8050 3  894.0216460  595161404573622 4    563720 4      C-13-H3C(O)CH3
  668501.1959  0.1049 -5.6886 3  894.0042920  595161404573622 2    563720 2      C-13-H3C(O)CH3
  668516.5331  0.0108 -5.1893 3  171.1416408  5951614042520 5 1    2417 7 1      C-13-H3C(O)CH3
  668517.3604  0.0122 -4.9876 3  691.7342444  595161404551639 3    541638 3      C-13-H3C(O)CH3
  668517.3604  0.0122 -4.1084 3  691.7342444  595161404551639 3    541738 3      C-13-H3C(O)CH3
  668517.3604  0.0122 -4.1084 3  691.7342444  595161404551739 3    541638 3      C-13-H3C(O)CH3
  668517.3604  0.0122 -4.9876 3  691.7342444  595161404551739 3    541738 3      C-13-H3C(O)CH3
  668517.4027  0.0122 -4.2636 3  691.7341444  595161404551639 4    541738 4      C-13-H3C(O)CH3
  668517.4027  0.0122 -4.4724 3  691.7341444  595161404551639 4    541638 4      C-13-H3C(O)CH3
  668517.4027  0.0122 -4.2636 3  691.7341444  595161404551739 4    541638 4      C-13-H3C(O)CH3
  668517.4027  0.0122 -4.4724 3  691.7341444  595161404551739 4    541738 4      C-13-H3C(O)CH3
  668534.8600  0.1027 -5.7573 3  894.0023920  595161404573622 1    563720 1      C-13-H3C(O)CH3
  668538.8071  0.0049 -3.1373 3  360.5314552 -5951614043432 3 2    3331 3 2      C-13-H3C(O)CH3
  668556.4957  0.0048 -3.1374 3  360.5903552 -5951614043432 3 0    3331 2 0      C-13-H3C(O)CH3
  668556.4957  0.0048 -3.1374 3  360.5903552 -5951614043432 2 0    3331 3 0      C-13-H3C(O)CH3
  668587.1640  0.0071 -3.4382 3  360.4606276  5951614043432 3 4    3331 3 4      C-13-H3C(O)CH3
  668588.0703  0.0070 -4.6126 3  171.7701228  59516140428 919 4    27 820 4      C-13-H3C(O)CH3
  668588.0708  0.0070 -4.6126 3  171.7701228  595161404281019 4    27 720 4      C-13-H3C(O)CH3
  668588.3517  0.0055 -4.6126 3  171.7700228  59516140428 919 3    27 820 3      C-13-H3C(O)CH3
  668588.3522  0.0055 -4.6126 3  171.7700228  595161404281019 3    27 720 3      C-13-H3C(O)CH3
  668603.9198  0.0082 -3.9987 3  751.2051508  59516140463 856 4    62 855 4      C-13-H3C(O)CH3
  668603.9198  0.0082 -5.9141 3  751.2051508  59516140463 856 4    62 755 4      C-13-H3C(O)CH3
  668603.9198  0.0082 -5.9141 3  751.2051508  59516140463 756 4    62 855 4      C-13-H3C(O)CH3
  668603.9198  0.0082 -3.9987 3  751.2051508  59516140463 756 4    62 755 4      C-13-H3C(O)CH3
  668603.9657  0.0082 -4.1363 3  751.2051508  59516140463 756 3    62 755 3      C-13-H3C(O)CH3
  668603.9657  0.0082 -4.5459 3  751.2051508  59516140463 856 3    62 755 3      C-13-H3C(O)CH3
  668603.9657  0.0082 -4.1363 3  751.2051508  59516140463 856 3    62 855 3      C-13-H3C(O)CH3
  668603.9657  0.0082 -4.5459 3  751.2051508  59516140463 756 3    62 855 3      C-13-H3C(O)CH3
  668604.1436  0.0052 -3.1372 3  360.5195552 -5951614043432 3 1    3331 3 1      C-13-H3C(O)CH3
  668606.7851  0.0142 -5.6009 3  171.0882204  5951614042520 6 3    2417 8 3      C-13-H3C(O)CH3
  668610.6320  0.0148 -3.6926 3  751.2362A16  59516140463 856 1    62 855 1      C-13-H3C(O)CH3
  668610.6320  0.0148 -3.6926 3  751.2362A16  59516140463 756 1    62 755 1      C-13-H3C(O)CH3
  668611.0201  0.0146 -4.4796 3  751.2359A16  59516140463 856 2    62 855 2      C-13-H3C(O)CH3
  668611.0201  0.0146 -3.7699 3  751.2359A16  59516140463 856 2    62 755 2      C-13-H3C(O)CH3
  668611.0201  0.0146 -3.7699 3  751.2359A16  59516140463 756 2    62 855 2      C-13-H3C(O)CH3
  668611.0201  0.0146 -4.4796 3  751.2359A16  59516140463 756 2    62 755 2      C-13-H3C(O)CH3
  668617.6529  0.0075 -4.0892 3  751.2670A16 -59516140463 856 0    62 855 0      C-13-H3C(O)CH3
  668617.6529  0.0075 -3.9153 3  751.2670A16 -59516140463 856 0    62 755 0      C-13-H3C(O)CH3
  668617.6529  0.0075 -4.0892 3  751.2670A16 -59516140463 756 0    62 755 0      C-13-H3C(O)CH3
  668617.6529  0.0075 -3.9153 3  751.2670A16 -59516140463 756 0    62 855 0      C-13-H3C(O)CH3
  668631.5515  0.2890 -6.0097 3 1564.6144E48  595161404901179 1    901080 1      C-13-H3C(O)CH3
  668631.5515  0.2890 -6.0097 3 1564.6144E48  595161404901279 1    901180 1      C-13-H3C(O)CH3
  668632.4105  0.2957 -6.0595 3 1564.6141E48  595161404901179 2    901180 2      C-13-H3C(O)CH3
  668632.4105  0.2957 -6.0595 3 1564.6141E48  595161404901279 2    901080 2      C-13-H3C(O)CH3
  668641.9924  0.1482 -5.7795 3 1123.8014A16  595161404634419 2    624517 2      C-13-H3C(O)CH3
  668701.9479  0.1380 -6.0803 3 1123.8496508  595161404634419 4    624517 4      C-13-H3C(O)CH3
  668719.1673  0.1710 -5.7794 3 1123.7474A16  595161404634420 0    624517 0      C-13-H3C(O)CH3
  668721.3314  0.1710 -5.7794 3 1123.7474A16  595161404634419 0    624518 0      C-13-H3C(O)CH3
  668723.7891  0.0050 -3.1371 3  360.5468552 -5951614043432 2 2    3331 2 2      C-13-H3C(O)CH3
  668757.2296  0.0218 -6.0284 3  171.0882204  5951614042520 5 3    2417 8 3      C-13-H3C(O)CH3
  668771.4046  0.0070 -3.4380 3  360.4761276  5951614043432 3 3    3331 3 3      C-13-H3C(O)CH3
  668779.4552  0.1699 -5.7793 3 1123.7956A16  595161404634419 1    624517 1      C-13-H3C(O)CH3
  668782.6501  0.0068 -3.4380 3  360.4994276  5951614043432 2 3    3331 2 3      C-13-H3C(O)CH3
  668800.4991  0.0050 -3.1370 3  360.5583552 -5951614043432 2 1    3331 2 1      C-13-H3C(O)CH3
  668860.7855  0.0103 -5.1861 3  171.0847408  5951614042520 6 1    2417 8 1      C-13-H3C(O)CH3
  668868.2931  0.0107 -5.2077 3  171.1403408  5951614042520 5 2    2417 7 2      C-13-H3C(O)CH3
  668890.7557  0.0049 -4.3111 3  171.7630456  59516140428 919 2    27 820 2      C-13-H3C(O)CH3
  668890.7561  0.0049 -4.3111 3  171.7630456  595161404281019 2    27 720 2      C-13-H3C(O)CH3
  668904.5450  0.0051 -4.3111 3  171.7641456  59516140428 919 1    27 820 1      C-13-H3C(O)CH3
  668904.5454  0.0051 -4.3111 3  171.7641456  595161404281019 1    27 720 1      C-13-H3C(O)CH3
  668950.2231  0.0567 -5.5640 3  883.4541460  595161404573424 4    563521 4      C-13-H3C(O)CH3
  668953.9352  0.1299 -6.0803 3 1123.8258508  595161404634420 3    624517 3      C-13-H3C(O)CH3
  668958.1321  0.2140 -5.9422 3  975.8620484  595161404603526 4    593623 4      C-13-H3C(O)CH3
  668959.5881  0.1927 -6.2736 3 1510.5941E32  595161404891079 0    891080 0      C-13-H3C(O)CH3
  668959.5881  0.1927 -6.1942 3 1510.5941E32  595161404891079 0    89 980 0      C-13-H3C(O)CH3
  668959.5881  0.1927 -6.1942 3 1510.5941E32  595161404891179 0    891080 0      C-13-H3C(O)CH3
  668959.5881  0.1927 -6.2736 3 1510.5941E32  595161404891179 0    89 980 0      C-13-H3C(O)CH3
  668966.9553  0.0071 -3.4377 3  360.5148276  5951614043432 2 4    3331 2 4      C-13-H3C(O)CH3
  668976.5883  0.1405 -5.7794 3 1123.7773A16  595161404634420 2    624518 2      C-13-H3C(O)CH3
  668980.5736  0.0414 -5.2682 3  883.4418920  595161404573424 0    563521 0      C-13-H3C(O)CH3
  668986.2398  0.0150 -6.2509 3  561.0872760  595161404472126 0    471829 0      C-13-H3C(O)CH3
  668986.2806  0.0150 -6.2509 3  561.0872760  595161404472226 0    471929 0      C-13-H3C(O)CH3
  668992.6221  0.0455 -5.2649 3  883.4471920  595161404573424 1    563521 1      C-13-H3C(O)CH3
  668993.3821  0.2262 -5.9417 3  975.8609484  595161404603526 3    593623 3      C-13-H3C(O)CH3
  669000.1368  0.0109 -5.2036 3  171.0954408  5951614042520 6 2    2417 8 2      C-13-H3C(O)CH3
  669001.8678  0.0111 -5.1665 3  171.1405408  5951614042520 6 0    2417 7 0      C-13-H3C(O)CH3
  669003.2141  0.0418 -5.2645 3  883.4467920  595161404573424 2    563521 2      C-13-H3C(O)CH3
  669032.4742  0.1551 -5.7792 3 1123.7718A16  595161404634420 1    624518 1      C-13-H3C(O)CH3
  669035.8863  0.1298 -6.0803 3 1123.8255508  595161404634419 3    624518 3      C-13-H3C(O)CH3
  669063.6809  0.0386 -5.5607 3  883.4507460  595161404573424 3    563521 3      C-13-H3C(O)CH3
  669107.0904  0.0197 -6.2509 3  561.0641760  595161404472126 2    471829 2      C-13-H3C(O)CH3
  669107.1363  0.0197 -6.2509 3  561.0641760  595161404472226 2    471929 2      C-13-H3C(O)CH3
  669118.8780  0.0164 -6.2493 3  561.0652760  595161404472126 1    471829 1      C-13-H3C(O)CH3
  669118.9229  0.0164 -6.2493 3  561.0652760  595161404472226 1    471929 1      C-13-H3C(O)CH3
  669161.8142  0.2157 -5.9978 3 1510.5825E32  595161404891079 2    891080 2      C-13-H3C(O)CH3
  669161.8142  0.2157 -5.9978 3 1510.5825E32  595161404891179 2    89 980 2      C-13-H3C(O)CH3
  669161.9363  0.0165 -3.9284 3  540.9990728  595161404452620 0    442519 0      C-13-H3C(O)CH3
  669162.6695  0.2108 -5.9319 3 1510.5827E32  595161404891079 1    89 980 1      C-13-H3C(O)CH3
  669162.6695  0.2108 -5.9319 3 1510.5827E32  595161404891179 1    891080 1      C-13-H3C(O)CH3
  669206.3432  0.0050 -4.3104 3  171.7571456  59516140428 919 0    27 820 0      C-13-H3C(O)CH3
  669206.3436  0.0050 -4.3104 3  171.7571456  595161404281019 0    27 720 0      C-13-H3C(O)CH3
  669211.3467  0.1501 -6.0219 3 1210.1763A48  595161404654719 0    644816 0      C-13-H3C(O)CH3
  669211.3788  0.1501 -6.0219 3 1210.1763A48  595161404654718 0    644817 0      C-13-H3C(O)CH3
  669251.0099  0.0126 -3.9680 3  285.1101536  595161404331914 2    321815 2      C-13-H3C(O)CH3
  669289.4522  0.1357 -6.0802 3 1123.8018508  595161404634420 4    624518 4      C-13-H3C(O)CH3
  669299.0178  0.1458 -6.0219 3 1210.2258A48  595161404654718 2    644816 2      C-13-H3C(O)CH3
  669319.8717  0.0147 -3.9285 3  540.9779728  595161404452620 1    442519 1      C-13-H3C(O)CH3
  669365.0732  0.1596 -6.2643 3 1510.5711716  595161404891079 3    89 980 3      C-13-H3C(O)CH3
  669365.3368  0.1596 -6.2316 3 1510.5711716  595161404891179 4    891080 4      C-13-H3C(O)CH3
  669365.3368  0.1596 -6.2316 3 1510.5711716  595161404891079 4    89 980 4      C-13-H3C(O)CH3
  669381.3744  0.0163 -4.2689 3  285.0914268  595161404331914 3    321815 3      C-13-H3C(O)CH3
  669390.4716  0.0148 -4.2689 3  285.0914268  595161404331914 4    321815 4      C-13-H3C(O)CH3
  669407.3355  0.0101 -3.9683 3  285.1345536  595161404331914 0    321815 0      C-13-H3C(O)CH3
  669417.6522  0.1532 -6.0217 3 1210.2191A48  595161404654718 1    644816 1      C-13-H3C(O)CH3
  669442.4490  0.0078 -3.7568 3  703.0534904  595161404561541 0    551540 0      C-13-H3C(O)CH3
  669442.4490  0.0078 -5.5355 3  703.0534904  595161404561641 0    551540 0      C-13-H3C(O)CH3
  669442.4490  0.0078 -5.5355 3  703.0534904  595161404561541 0    551640 0      C-13-H3C(O)CH3
  669442.4490  0.0078 -3.7568 3  703.0534904  595161404561641 0    551640 0      C-13-H3C(O)CH3
  669473.1173  0.0123 -4.2695 3  703.0332904  595161404561641 1    551640 1      C-13-H3C(O)CH3
  669473.1173  0.0123 -3.9058 3  703.0332904  595161404561541 1    551640 1      C-13-H3C(O)CH3
  669473.1173  0.0123 -4.2695 3  703.0332904  595161404561541 1    551540 1      C-13-H3C(O)CH3
  669473.1173  0.0123 -3.9058 3  703.0332904  595161404561641 1    551540 1      C-13-H3C(O)CH3
  669474.3481  0.0124 -6.2566 3  703.0328904  595161404561641 2    551640 2      C-13-H3C(O)CH3
  669474.3481  0.0124 -6.2566 3  703.0328904  595161404561541 2    551540 2      C-13-H3C(O)CH3
  669474.3481  0.0124 -3.7509 3  703.0328904  595161404561541 2    551640 2      C-13-H3C(O)CH3
  669474.3481  0.0124 -3.7509 3  703.0328904  595161404561641 2    551540 2      C-13-H3C(O)CH3
  669482.2701  0.1437 -5.9768 3 1457.1452E16  595161404881079 0    88 980 0      C-13-H3C(O)CH3
  669482.2701  0.1437 -5.9768 3 1457.1452E16  59516140488 979 0    88 880 0      C-13-H3C(O)CH3
  669486.4529  0.0212 -3.9286 3  540.9681728  595161404452620 2    442519 2      C-13-H3C(O)CH3
  669497.0717  0.1364 -6.0217 3 1210.1815A48  595161404654719 1    644817 1      C-13-H3C(O)CH3
  669505.0588  0.0122 -5.1371 3  703.0126452  595161404561541 3    551640 3      C-13-H3C(O)CH3
  669505.0588  0.0122 -5.1371 3  703.0126452  595161404561641 3    551540 3      C-13-H3C(O)CH3
  669505.0588  0.0122 -4.0877 3  703.0126452  595161404561541 3    551540 3      C-13-H3C(O)CH3
  669505.0588  0.0122 -4.0877 3  703.0126452  595161404561641 3    551640 3      C-13-H3C(O)CH3
  669505.0937  0.0122 -4.0763 3  703.0125452  595161404561641 4    551640 4      C-13-H3C(O)CH3
  669505.0937  0.0122 -4.1006 3  703.0125452  595161404561641 4    551540 4      C-13-H3C(O)CH3
  669505.0937  0.0122 -5.2906 3  703.0125452  595161404561541 4    551640 4      C-13-H3C(O)CH3
  669505.0937  0.0122 -5.0140 3  703.0125452  595161404561541 4    551540 4      C-13-H3C(O)CH3
  669508.0076  0.1322 -6.0219 3 1210.1854A48  595161404654719 2    644817 2      C-13-H3C(O)CH3
  669537.8131  0.0126 -3.9682 3  285.1158536  595161404331914 1    321815 1      C-13-H3C(O)CH3
  669537.8748  0.0104 -5.7286 3  142.4258392  595161404241410 2    231113 2      C-13-H3C(O)CH3
  669572.9381  0.0059 -4.3483 3  221.3733244  595161404301416 4    291317 4      C-13-H3C(O)CH3
  669572.9594  0.0050 -4.3483 3  221.3733244  595161404301416 3    291317 3      C-13-H3C(O)CH3
  669606.1818  0.0058 -4.3483 3  221.3733244  595161404301516 4    291217 4      C-13-H3C(O)CH3
  669606.3167  0.0050 -4.3483 3  221.3733244  595161404301516 3    291217 3      C-13-H3C(O)CH3
  669639.8413  0.0197 -4.2297 3  540.9470364  595161404452620 4    442519 4      C-13-H3C(O)CH3
  669649.1995  0.0200 -4.2297 3  540.9468364  595161404452620 3    442519 3      C-13-H3C(O)CH3
  669657.9989  0.0118 -6.0328 3  142.4333196  595161404241410 3    231113 3      C-13-H3C(O)CH3
  669676.6862  0.0161 -6.0330 3  142.4333196  595161404241410 4    231113 4      C-13-H3C(O)CH3
  669683.8521  0.0048 -4.0472 3  221.3853488  595161404301416 2    291317 2      C-13-H3C(O)CH3
  669684.5041  0.1510 -6.2721 3 1457.1259E16  59516140488 979 2    88 880 2      C-13-H3C(O)CH3
  669684.5041  0.1510 -6.0772 3 1457.1259E16  59516140488 979 2    88 980 2      C-13-H3C(O)CH3
  669684.5041  0.1510 -6.2721 3 1457.1259E16  595161404881079 2    88 980 2      C-13-H3C(O)CH3
  669684.5041  0.1510 -6.0772 3 1457.1259E16  595161404881079 2    88 880 2      C-13-H3C(O)CH3
  669686.1987  0.1515 -5.9872 3 1457.1260E16  59516140488 979 1    88 880 1      C-13-H3C(O)CH3
  669686.1987  0.1515 -5.9872 3 1457.1260E16  595161404881079 1    88 980 1      C-13-H3C(O)CH3
  669717.7686  0.0048 -4.0472 3  221.3853488  595161404301516 2    291217 2      C-13-H3C(O)CH3
  669718.1792  0.0048 -4.0472 3  221.3879488  595161404301416 1    291317 1      C-13-H3C(O)CH3
  669718.4445  0.0101 -5.7271 3  142.4212392  595161404241410 0    231113 0      C-13-H3C(O)CH3
  669737.7768  0.0074 -3.9939 3  757.5466516 -59516140464 758 3    63 757 3      C-13-H3C(O)CH3
  669737.7768  0.0074 -3.9939 3  757.5466516 -59516140464 658 3    63 657 3      C-13-H3C(O)CH3
  669737.7768  0.0074 -5.8516 3  757.5466516 -59516140464 658 3    63 757 3      C-13-H3C(O)CH3
  669737.7768  0.0074 -4.3047 3  757.5465516 -59516140464 758 4    63 657 4      C-13-H3C(O)CH3
  669737.7768  0.0074 -4.2737 3  757.5465516 -59516140464 658 4    63 657 4      C-13-H3C(O)CH3
  669737.7768  0.0074 -4.3047 3  757.5465516 -59516140464 658 4    63 757 4      C-13-H3C(O)CH3
  669737.7768  0.0074 -5.8516 3  757.5466516 -59516140464 758 3    63 657 3      C-13-H3C(O)CH3
  669737.7768  0.0074 -4.2737 3  757.5465516 -59516140464 758 4    63 757 4      C-13-H3C(O)CH3
  669750.8409  0.0048 -4.0472 3  221.3879488  595161404301516 1    291217 1      C-13-H3C(O)CH3
  669751.0870  0.0129 -3.7104 3  757.5758A32 -59516140464 658 2    63 757 2      C-13-H3C(O)CH3
  669751.0870  0.0129 -3.7104 3  757.5758A32 -59516140464 758 2    63 657 2      C-13-H3C(O)CH3
  669751.0870  0.0131 -4.5141 3  757.5761A32 -59516140464 658 1    63 657 1      C-13-H3C(O)CH3
  669751.0870  0.0131 -4.5141 3  757.5761A32 -59516140464 758 1    63 757 1      C-13-H3C(O)CH3
  669751.0870  0.0131 -3.7569 3  757.5761A32 -59516140464 758 1    63 657 1      C-13-H3C(O)CH3
  669751.0870  0.0129 -4.9656 3  757.5758A32 -59516140464 658 2    63 657 2      C-13-H3C(O)CH3
  669751.0870  0.0129 -4.9656 3  757.5758A32 -59516140464 758 2    63 757 2      C-13-H3C(O)CH3
  669751.0870  0.0131 -3.7569 3  757.5761A32 -59516140464 658 1    63 757 1      C-13-H3C(O)CH3
  669760.5304  0.0109 -5.1660 3  171.1153408  5951614042520 5 0    2417 8 0      C-13-H3C(O)CH3
  669763.8680  0.0069 -3.6896 3  757.6053A32 -59516140464 758 0    63 757 0      C-13-H3C(O)CH3
  669763.8680  0.0069 -3.6896 3  757.6053A32 -59516140464 658 0    63 657 0      C-13-H3C(O)CH3
  669763.8680  0.0069 -5.9055 3  757.6053A32 -59516140464 758 0    63 657 0      C-13-H3C(O)CH3
  669763.8680  0.0069 -5.9055 3  757.6053A32 -59516140464 658 0    63 757 0      C-13-H3C(O)CH3
  669828.8829  0.0047 -4.0470 3  221.3999488  595161404301416 0    291317 0      C-13-H3C(O)CH3
  669844.4227  0.0105 -5.7305 3  142.4286392  595161404241410 1    231113 1      C-13-H3C(O)CH3
  669862.1165  0.0047 -4.0470 3  221.3998488  595161404301516 0    291217 0      C-13-H3C(O)CH3
  669867.2642  0.0143 -3.8002 3  431.3354648 -595161404402516 0    392415 0      C-13-H3C(O)CH3
  669888.5678  0.1401 -6.2262 3 1457.1066708  59516140488 979 3    88 880 3      C-13-H3C(O)CH3
  669888.5678  0.1401 -6.2262 3 1457.1066708  595161404881079 3    88 980 3      C-13-H3C(O)CH3
  669888.7809  0.1401 -6.2118 3 1457.1066708  59516140488 979 4    88 880 4      C-13-H3C(O)CH3
  669888.7809  0.1401 -6.2118 3 1457.1066708  595161404881079 4    88 980 4      C-13-H3C(O)CH3
  669902.7379  0.0146 -3.8001 3  431.3162648  595161404402516 1    392415 1      C-13-H3C(O)CH3
  670019.9443  0.1131 -5.8119 3 1404.2711E00  59516140487 979 0    87 880 0      C-13-H3C(O)CH3
  670019.9443  0.1131 -5.8119 3 1404.2711E00  59516140487 879 0    87 780 0      C-13-H3C(O)CH3
  670180.4149  0.0357 -6.2884 3  766.2807872  595161404542727 0    542430 0      C-13-H3C(O)CH3
  670186.4442  0.0357 -6.2884 3  766.2807872  595161404542827 0    542530 0      C-13-H3C(O)CH3
  670202.5978  0.1370 -5.8208 3 1404.2449E00  59516140487 879 2    87 880 2      C-13-H3C(O)CH3
  670202.5978  0.1370 -5.8208 3 1404.2449E00  59516140487 979 2    87 780 2      C-13-H3C(O)CH3
  670204.1914  0.1440 -5.8028 3 1404.2450E00  59516140487 979 1    87 880 1      C-13-H3C(O)CH3
  670204.1914  0.1440 -5.8028 3 1404.2450E00  59516140487 879 1    87 780 1      C-13-H3C(O)CH3
  670213.0063  0.0201 -6.2172 3  171.0954408  5951614042520 5 2    2417 8 2      C-13-H3C(O)CH3
  670247.3069  0.0053 -3.5110 3  364.4908284 -5951614043530 6 4    3429 6 4      C-13-H3C(O)CH3
  670247.3069  0.0041 -3.2099 3  364.5458568 -5951614043530 6 2    3429 6 2      C-13-H3C(O)CH3
  670250.2878  0.0195 -3.7989 3  431.3024648  595161404402516 2    392415 2      C-13-H3C(O)CH3
  670252.1596  0.0526 -6.2883 3  766.2775872  595161404542727 2    542430 2      C-13-H3C(O)CH3
  670255.0115  0.0393 -6.2876 3  766.2777872  595161404542727 1    542430 1      C-13-H3C(O)CH3
  670258.7005  0.0525 -6.2883 3  766.2775872  595161404542827 2    542530 2      C-13-H3C(O)CH3
  670258.7216  0.0039 -3.2098 3  364.5818568 -5951614043530 6 0    3429 5 0      C-13-H3C(O)CH3
  670258.7216  0.0039 -3.2098 3  364.5818568 -5951614043530 5 0    3429 6 0      C-13-H3C(O)CH3
  670258.7216  0.0042 -3.2099 3  364.5270568 -5951614043530 6 1    3429 6 1      C-13-H3C(O)CH3
  670261.5664  0.0393 -6.2876 3  766.2777872  595161404542827 1    542530 1      C-13-H3C(O)CH3
  670267.9604  0.0195 -4.1004 3  431.2832324  595161404402516 4    392415 4      C-13-H3C(O)CH3
  670295.4297  0.0226 -4.0994 3  431.2832324  595161404402516 3    392415 3      C-13-H3C(O)CH3
  670378.4348  0.0042 -3.2098 3  364.5511568 -5951614043530 5 2    3429 5 2      C-13-H3C(O)CH3
  670379.2842  0.0054 -3.5108 3  364.4963284  5951614043530 6 3    3429 6 3      C-13-H3C(O)CH3
  670386.9261  0.1261 -6.1068 3 1404.2186700  59516140487 879 3    87 780 3      C-13-H3C(O)CH3
  670386.9261  0.1261 -6.1068 3 1404.2186700  59516140487 979 3    87 880 3      C-13-H3C(O)CH3
  670432.1689  0.0053 -3.5107 3  364.5096284  5951614043530 5 3    3429 5 3      C-13-H3C(O)CH3
  670443.2097  0.0042 -3.2096 3  364.5457568 -5951614043530 5 1    3429 5 1      C-13-H3C(O)CH3
  670467.7389  0.0078 -3.8198 3  713.7796920  595161404571543 0    561542 0      C-13-H3C(O)CH3
  670467.7389  0.0078 -4.5525 3  713.7796920  595161404571543 0    561442 0      C-13-H3C(O)CH3
  670467.7389  0.0078 -4.5525 3  713.7796920  595161404571443 0    561542 0      C-13-H3C(O)CH3
  670467.7389  0.0078 -3.8198 3  713.7796920  595161404571443 0    561442 0      C-13-H3C(O)CH3
  670471.8125  0.0098 -6.0447 3  143.6445220  59516140427 721 4    26 422 4      C-13-H3C(O)CH3
  670471.8125  0.0098 -4.9491 3  143.6445220  59516140427 721 4    26 522 4      C-13-H3C(O)CH3
  670471.8125  0.0098 -6.0403 3  143.6445220  59516140427 621 4    26 522 4      C-13-H3C(O)CH3
  670471.8125  0.0098 -4.9495 3  143.6445220  59516140427 621 4    26 422 4      C-13-H3C(O)CH3
  670471.8822  0.0080 -5.1871 3  143.6445220  59516140427 721 3    26 422 3      C-13-H3C(O)CH3
  670471.8822  0.0080 -5.2484 3  143.6445220  59516140427 721 3    26 522 3      C-13-H3C(O)CH3
  670471.8822  0.0080 -5.2481 3  143.6445220  59516140427 621 3    26 422 3      C-13-H3C(O)CH3
  670471.8822  0.0080 -5.1873 3  143.6445220  59516140427 621 3    26 522 3      C-13-H3C(O)CH3
  670495.5110  0.0131 -5.0108 3  713.7578920  595161404571443 1    561542 1      C-13-H3C(O)CH3
  670495.5110  0.0131 -3.7703 3  713.7578920  595161404571543 1    561542 1      C-13-H3C(O)CH3
  670495.5110  0.0131 -5.0108 3  713.7578920  595161404571543 1    561442 1      C-13-H3C(O)CH3
  670495.5110  0.0131 -3.7703 3  713.7578920  595161404571443 1    561442 1      C-13-H3C(O)CH3
  670496.4943  0.0131 -3.8283 3  713.7575920  595161404571443 2    561542 2      C-13-H3C(O)CH3
  670496.4943  0.0131 -4.5090 3  713.7575920  595161404571543 2    561542 2      C-13-H3C(O)CH3
  670496.4943  0.0131 -3.8283 3  713.7575920  595161404571543 2    561442 2      C-13-H3C(O)CH3
  670496.4943  0.0131 -4.5090 3  713.7575920  595161404571443 2    561442 2      C-13-H3C(O)CH3
  670524.3051  0.0121 -4.6332 3  713.7357460  595161404571543 3    561542 3      C-13-H3C(O)CH3
  670524.3051  0.0121 -4.1773 3  713.7357460  595161404571543 3    561442 3      C-13-H3C(O)CH3
  670524.3051  0.0121 -4.1773 3  713.7357460  595161404571443 3    561542 3      C-13-H3C(O)CH3
  670524.3051  0.0121 -4.6332 3  713.7357460  595161404571443 3    561442 3      C-13-H3C(O)CH3
  670524.3318  0.0121 -4.2528 3  713.7356460  595161404571443 4    561542 4      C-13-H3C(O)CH3
  670524.3318  0.0121 -4.2528 3  713.7356460  595161404571543 4    561442 4      C-13-H3C(O)CH3
  670524.3318  0.0121 -4.4701 3  713.7356460  595161404571543 4    561542 4      C-13-H3C(O)CH3
  670524.3318  0.0121 -4.4701 3  713.7356460  595161404571443 4    561442 4      C-13-H3C(O)CH3
  670562.9107  0.0060 -3.5105 3  364.5150284 -5951614043530 5 4    3429 5 4      C-13-H3C(O)CH3
  670581.5921  0.1102 -6.1217 3 1351.9713D84  59516140486 779 0    86 780 0      C-13-H3C(O)CH3
  670581.5921  0.1102 -5.9872 3 1351.9713D84  59516140486 879 0    86 780 0      C-13-H3C(O)CH3
  670581.5921  0.1102 -6.1217 3 1351.9713D84  59516140486 879 0    86 680 0      C-13-H3C(O)CH3
  670581.5921  0.1102 -5.9872 3 1351.9713D84  59516140486 779 0    86 680 0      C-13-H3C(O)CH3
  670718.4690  0.1750 -5.7951 3 1351.9399D84  59516140486 779 2    86 780 2      C-13-H3C(O)CH3
  670718.4690  0.1750 -5.7951 3 1351.9399D84  59516140486 879 2    86 680 2      C-13-H3C(O)CH3
  670719.0940  0.1826 -5.7804 3 1351.9400D84  59516140486 879 1    86 780 1      C-13-H3C(O)CH3
  670719.0940  0.1826 -5.7804 3 1351.9400D84  59516140486 779 1    86 680 1      C-13-H3C(O)CH3
  670836.3887  0.0408 -4.9721 3  378.1684300  595161404372612 4    362511 4      C-13-H3C(O)CH3
  670855.9138  0.1180 -6.1437 3 1351.9085692  59516140486 879 4    86 680 4      C-13-H3C(O)CH3
  670855.9138  0.1180 -6.1437 3 1351.9085692  59516140486 779 4    86 780 4      C-13-H3C(O)CH3
  670855.9962  0.1179 -6.1441 3 1351.9086692  59516140486 879 3    86 780 3      C-13-H3C(O)CH3
  670855.9962  0.1179 -6.1441 3 1351.9086692  59516140486 779 3    86 680 3      C-13-H3C(O)CH3
  670881.0896  0.0064 -4.5900 3  763.3526524 -59516140465 560 3    64 559 3      C-13-H3C(O)CH3
  670881.0896  0.0064 -4.1047 3  763.3526524 -59516140465 660 3    64 559 3      C-13-H3C(O)CH3
  670881.0896  0.0064 -5.8851 3  763.3526524 -59516140465 660 4    64 659 4      C-13-H3C(O)CH3
  670881.0896  0.0064 -3.9873 3  763.3526524 -59516140465 560 4    64 659 4      C-13-H3C(O)CH3
  670881.2789  0.0064 -5.8851 3  763.3526524  59516140465 560 4    64 559 4      C-13-H3C(O)CH3
  670881.2789  0.0064 -3.9873 3  763.3526524  59516140465 660 4    64 559 4      C-13-H3C(O)CH3
  670881.3278  0.0064 -4.1047 3  763.3526524  59516140465 560 3    64 659 3      C-13-H3C(O)CH3
  670881.3278  0.0064 -4.5900 3  763.3526524  59516140465 660 3    64 659 3      C-13-H3C(O)CH3
  670899.9497  0.0106 -3.7752 3  763.3786A48  59516140465 560 1    64 659 1      C-13-H3C(O)CH3
  670899.9497  0.0106 -4.3901 3  763.3786A48  59516140465 660 1    64 659 1      C-13-H3C(O)CH3
  670900.1833  0.0104 -3.8311 3  763.3783A48 -59516140465 660 2    64 559 2      C-13-H3C(O)CH3
  670900.1833  0.0106 -4.3901 3  763.3786A48 -59516140465 560 1    64 559 1      C-13-H3C(O)CH3
  670900.1833  0.0106 -3.7752 3  763.3786A48 -59516140465 660 1    64 559 1      C-13-H3C(O)CH3
  670900.1833  0.0104 -4.2147 3  763.3783A48 -59516140465 560 2    64 559 2      C-13-H3C(O)CH3
  670900.2267  0.0104 -4.2147 3  763.3783A48  59516140465 660 2    64 659 2      C-13-H3C(O)CH3
  670900.2267  0.0104 -3.8311 3  763.3783A48  59516140465 560 2    64 659 2      C-13-H3C(O)CH3
  670918.6395  0.0061 -3.7111 3  763.4043A48 -59516140465 660 0    64 659 0      C-13-H3C(O)CH3
  670918.6395  0.0061 -4.8528 3  763.4043A48 -59516140465 560 0    64 659 0      C-13-H3C(O)CH3
  670918.8374  0.0061 -3.7111 3  763.4043A48  59516140465 560 0    64 559 0      C-13-H3C(O)CH3
  670918.8374  0.0061 -4.8528 3  763.4043A48  59516140465 660 0    64 559 0      C-13-H3C(O)CH3
  670924.1730  0.1636 -5.8467 3 1041.2870492  595161404614121 4    604218 4      C-13-H3C(O)CH3
  670928.3861  0.0080 -6.1216 3  143.6170440  59516140427 721 2    26 422 2      C-13-H3C(O)CH3
  670928.3861  0.0080 -4.6273 3  143.6170440  59516140427 621 2    26 422 2      C-13-H3C(O)CH3
  670928.3861  0.0080 -4.6273 3  143.6170440  59516140427 721 2    26 522 2      C-13-H3C(O)CH3
  670928.3861  0.0080 -6.1229 3  143.6170440  59516140427 621 2    26 522 2      C-13-H3C(O)CH3
  670936.0576  0.0084 -4.6210 3  143.6176440  59516140427 721 1    26 522 1      C-13-H3C(O)CH3
  670936.0576  0.0084 -4.6211 3  143.6176440  59516140427 621 1    26 422 1      C-13-H3C(O)CH3
  671012.0434  0.0344 -4.4840 3  378.1911600  595161404372612 2    362511 2      C-13-H3C(O)CH3
  671087.7379  0.1651 -5.5485 3 1041.2428984  595161404614121 2    604218 2      C-13-H3C(O)CH3
  671102.4053  0.0241 -5.3052 3  209.8799228  5951614042820 9 4    271710 4      C-13-H3C(O)CH3
  671177.5956  0.1233 -5.7208 3 1300.2450D68  59516140485 679 0    85 580 0      C-13-H3C(O)CH3
  671177.5956  0.1233 -5.7211 3 1300.2450D68  59516140485 779 0    85 680 0      C-13-H3C(O)CH3
  671208.7128  0.1704 -5.5542 3 1041.2385984  595161404614121 1    604218 1      C-13-H3C(O)CH3
  671214.5420  0.0058 -3.5950 3  392.3896616  595161404382514 1    372413 1      C-13-H3C(O)CH3
  671224.0696  0.0102 -3.9226 3  392.3697308  595161404382514 4    372413 4      C-13-H3C(O)CH3
  671226.4980  0.0057 -3.5926 3  392.4091616 -595161404382514 0    372413 0      C-13-H3C(O)CH3
  671233.7918  0.2252 -5.7087 3 1300.2116D68  59516140485 779 1    85 580 1      C-13-H3C(O)CH3
  671233.7918  0.2252 -5.7087 3 1300.2116D68  59516140485 679 1    85 680 1      C-13-H3C(O)CH3
  671234.7524  0.2200 -6.1493 3 1300.2115D68  59516140485 679 2    85 580 2      C-13-H3C(O)CH3
  671234.7524  0.2200 -5.8979 3 1300.2115D68  59516140485 679 2    85 680 2      C-13-H3C(O)CH3
  671234.7524  0.2200 -6.1493 3 1300.2115D68  59516140485 779 2    85 680 2      C-13-H3C(O)CH3
  671234.7524  0.2200 -5.8979 3 1300.2115D68  59516140485 779 2    85 580 2      C-13-H3C(O)CH3
  671249.4178  0.0385 -4.5120 3  378.1640300  595161404372612 3    362511 3      C-13-H3C(O)CH3
  671290.5802  0.1134 -6.0055 3 1300.1780684  59516140485 679 4    85 680 4      C-13-H3C(O)CH3
  671290.5802  0.1134 -6.0055 3 1300.1780684  59516140485 779 4    85 580 4      C-13-H3C(O)CH3
  671290.9223  0.1133 -6.0054 3 1300.1780684  59516140485 679 3    85 580 3      C-13-H3C(O)CH3
  671290.9223  0.1133 -6.0054 3 1300.1780684  59516140485 779 3    85 680 3      C-13-H3C(O)CH3
  671291.5390  0.1468 -5.9449 3 1041.2834492  595161404614121 3    604219 3      C-13-H3C(O)CH3
  671295.6511  0.0080 -3.6087 3  392.3890616  595161404382514 2    372413 2      C-13-H3C(O)CH3
  671306.2447  0.0136 -5.7790 3  114.8817212  59516140426 423 3    25 124 3      C-13-H3C(O)CH3
  671306.2447  0.0136 -5.7790 3  114.8817212  59516140426 323 3    25 224 3      C-13-H3C(O)CH3
  671306.2447  0.0136 -5.9084 3  114.8817212  59516140426 323 3    25 124 3      C-13-H3C(O)CH3
  671306.2447  0.0136 -5.9084 3  114.8817212  59516140426 423 3    25 224 3      C-13-H3C(O)CH3
  671306.7687  0.0155 -5.5511 3  114.8817212  59516140426 323 4    25 224 4      C-13-H3C(O)CH3
  671306.7687  0.0155 -5.5511 3  114.8817212  59516140426 423 4    25 124 4      C-13-H3C(O)CH3
  671320.9569  0.0088 -4.0365 3  269.5440520  595161404322013 1    311714 1      C-13-H3C(O)CH3
  671333.7393  0.1749 -5.5439 3 1041.1944984  595161404614121 0    604218 0      C-13-H3C(O)CH3
  671337.3225  0.0159 -3.7672 3  378.1754600  595161404372612 1    362511 1      C-13-H3C(O)CH3
  671346.0965  0.0091 -3.9001 3  392.3689308  595161404382514 3    372413 3      C-13-H3C(O)CH3
  671354.4321  0.0108 -3.9160 3  563.1716744  595161404462621 0    452520 0      C-13-H3C(O)CH3
  671356.8750  0.1374 -5.9450 3 1041.2854492  595161404614120 3    604218 3      C-13-H3C(O)CH3
  671364.7977  0.0076 -4.3378 3  269.5201260  595161404322013 4    311714 4      C-13-H3C(O)CH3
  671373.2209  0.0095 -4.3379 3  269.5199260  595161404322013 3    311714 3      C-13-H3C(O)CH3
  671391.5827  0.0077 -5.3006 3  143.5902440  59516140427 721 0    26 422 0      C-13-H3C(O)CH3
  671391.5827  0.0077 -5.2996 3  143.5902440  59516140427 621 0    26 522 0      C-13-H3C(O)CH3
  671391.5827  0.0077 -4.7128 3  143.5902440  59516140427 621 0    26 422 0      C-13-H3C(O)CH3
  671391.5827  0.0077 -4.7126 3  143.5902440  59516140427 721 0    26 522 0      C-13-H3C(O)CH3
  671417.9884  0.0062 -4.2946 3  243.7090252  595161404311615 3    301516 3      C-13-H3C(O)CH3
  671418.8137  0.0042 -3.4400 3  378.1994600 -595161404372612 0    362511 0      C-13-H3C(O)CH3
  671419.3920  0.0067 -4.2946 3  243.7090252  595161404311615 4    301516 4      C-13-H3C(O)CH3
  671437.8279  0.1754 -5.5437 3 1041.1943984  595161404614120 0    604219 0      C-13-H3C(O)CH3
  671456.9703  0.0056 -3.9937 3  243.7246504  595161404311615 2    301516 2      C-13-H3C(O)CH3
  671462.3997  0.0089 -4.0377 3  269.5583520  595161404322013 0    311714 0      C-13-H3C(O)CH3
  671463.3047  0.0101 -3.9161 3  563.1530744  595161404462621 1    452520 1      C-13-H3C(O)CH3
  671506.2593  0.0045 -3.3037 3  370.3107584 -5951614043628 9 1    3527 9 1      C-13-H3C(O)CH3
  671508.1526  0.1478 -5.5483 3 1041.2413984  595161404614120 2    604219 2      C-13-H3C(O)CH3
  671515.6176  0.0085 -4.0381 3  269.5342520  595161404322013 2    311714 2      C-13-H3C(O)CH3
  671518.5536  0.0078 -3.8720 3  723.9548936  595161404581345 0    571444 0      C-13-H3C(O)CH3
  671518.5536  0.0078 -4.3319 3  723.9548936  595161404581345 0    571344 0      C-13-H3C(O)CH3
  671518.5536  0.0078 -3.8720 3  723.9548936  595161404581445 0    571344 0      C-13-H3C(O)CH3
  671518.5536  0.0078 -4.3319 3  723.9548936  595161404581445 0    571444 0      C-13-H3C(O)CH3
  671520.1012  0.0053 -3.6047 3  370.2869292  5951614043628 9 4    3527 9 4      C-13-H3C(O)CH3
  671523.9430  0.0056 -3.9936 3  243.7284504  595161404311615 1    301516 1      C-13-H3C(O)CH3
  671530.4179  0.0038 -3.3035 3  370.3493584 -5951614043628 8 0    3527 9 0      C-13-H3C(O)CH3
  671530.4179  0.0038 -3.3035 3  370.3493584 -5951614043628 9 0    3527 8 0      C-13-H3C(O)CH3
  671543.0022  0.0140 -5.2874 3  723.9313936  595161404581445 1    571344 1      C-13-H3C(O)CH3
  671543.0022  0.0140 -5.2874 3  723.9313936  595161404581345 1    571444 1      C-13-H3C(O)CH3
  671543.0022  0.0140 -3.7552 3  723.9313936  595161404581445 1    571444 1      C-13-H3C(O)CH3
  671543.0022  0.0140 -3.7552 3  723.9313936  595161404581345 1    571344 1      C-13-H3C(O)CH3
  671543.7950  0.0140 -4.4478 3  723.9310936  595161404581345 2    571344 2      C-13-H3C(O)CH3
  671543.7950  0.0140 -3.8379 3  723.9310936  595161404581345 2    571444 2      C-13-H3C(O)CH3
  671543.7950  0.0140 -4.4478 3  723.9310936  595161404581445 2    571444 2      C-13-H3C(O)CH3
  671543.7950  0.0140 -3.8379 3  723.9310936  595161404581445 2    571344 2      C-13-H3C(O)CH3
  671543.8343  0.0043 -3.3035 3  370.3257584 -5951614043628 9 2    3527 9 2      C-13-H3C(O)CH3
  671549.7972  0.0120 -3.9163 3  563.1465744  595161404462621 2    452520 2      C-13-H3C(O)CH3
  671562.7442  0.0052 -3.9936 3  243.7440504  595161404311615 0    301516 0      C-13-H3C(O)CH3
  671568.2782  0.0119 -4.0806 3  723.9074468  595161404581445 3    571444 3      C-13-H3C(O)CH3
  671568.2782  0.0119 -4.0806 3  723.9074468  595161404581345 3    571344 3      C-13-H3C(O)CH3
  671568.2782  0.0119 -5.1307 3  723.9074468  595161404581345 3    571444 3      C-13-H3C(O)CH3
  671568.2782  0.0119 -5.1307 3  723.9074468  595161404581445 3    571344 3      C-13-H3C(O)CH3
  671568.2959  0.0119 -4.0549 3  723.9074468  595161404581445 4    571444 4      C-13-H3C(O)CH3
  671568.2959  0.0119 -4.0549 3  723.9074468  595161404581345 4    571344 4      C-13-H3C(O)CH3
  671568.2959  0.0119 -5.6322 3  723.9074468  595161404581345 4    571444 4      C-13-H3C(O)CH3
  671568.2959  0.0119 -5.6322 3  723.9074468  595161404581445 4    571344 4      C-13-H3C(O)CH3
  671609.5484  0.0160 -4.9647 3  209.8921456  5951614042820 9 1    271710 1      C-13-H3C(O)CH3
  671614.6248  0.0051 -3.6048 3  370.2958292  5951614043628 9 3    3527 8 3      C-13-H3C(O)CH3
  671614.6654  0.1783 -5.5539 3 1041.2350984  595161404614120 1    604219 1      C-13-H3C(O)CH3
  671637.8797  0.0040 -3.3036 3  370.3345584 -5951614043628 8 2    3527 8 2      C-13-H3C(O)CH3
  671650.7394  0.0056 -3.7670 3  378.1412300  595161404372612 4    362512 4      C-13-H3C(O)CH3
  671651.2867  0.0073 -3.7166 3  378.1754600  595161404372611 1    362511 1      C-13-H3C(O)CH3
  671656.6476  0.0211 -5.1703 3  209.8800228  5951614042820 9 3    271710 3      C-13-H3C(O)CH3
  671657.2036  0.0109 -4.2174 3  563.1279372  595161404462621 4    452520 4      C-13-H3C(O)CH3
  671661.6545  0.0112 -4.2174 3  563.1278372  595161404462621 3    452520 3      C-13-H3C(O)CH3
  671664.2075  0.0068 -3.7165 3  378.1645600 -595161404372612 1    362512 1      C-13-H3C(O)CH3
  671667.1742  0.0038 -3.3034 3  370.3179584 -5951614043628 8 1    3527 8 1      C-13-H3C(O)CH3
  671681.7850  0.0048 -3.6045 3  370.2942292  5951614043628 8 3    3527 9 3      C-13-H3C(O)CH3
  671683.6686  0.0063 -3.8218 3  378.1640300  595161404372611 3    362511 3      C-13-H3C(O)CH3
  671685.4682  0.1087 -6.1126 3 1249.0288676  59516140484 679 4    84 480 4      C-13-H3C(O)CH3
  671685.4682  0.1087 -6.0839 3 1249.0288676  59516140484 579 4    84 580 4      C-13-H3C(O)CH3
  671686.1099  0.1086 -6.0999 3 1249.0288676  59516140484 579 3    84 580 3      C-13-H3C(O)CH3
  671686.1099  0.1086 -6.0999 3 1249.0288676  59516140484 679 3    84 480 3      C-13-H3C(O)CH3
  671692.3338  0.0050 -3.4805 3  378.1684600 -595161404372612 2    362512 2      C-13-H3C(O)CH3
  671713.3881  0.1286 -6.2723 3 1300.4125A80  595161404675018 0    665115 0      C-13-H3C(O)CH3
  671713.3885  0.1286 -6.2723 3 1300.4125A80  595161404675017 0    665116 0      C-13-H3C(O)CH3
  671725.8098  0.1383 -5.8463 3 1041.2820492  595161404614120 4    604219 4      C-13-H3C(O)CH3
  671726.6046  0.0052 -3.4810 3  378.1911600 -595161404372611 2    362511 2      C-13-H3C(O)CH3
  671751.6513  0.2444 -5.6782 3 1249.0601D52  59516140484 579 1    84 480 1      C-13-H3C(O)CH3
  671751.6513  0.2444 -5.6782 3 1249.0601D52  59516140484 679 1    84 580 1      C-13-H3C(O)CH3
  671754.3446  0.2421 -5.7577 3 1249.0599D52  59516140484 579 2    84 580 2      C-13-H3C(O)CH3
  671754.3446  0.2421 -5.7577 3 1249.0599D52  59516140484 679 2    84 480 2      C-13-H3C(O)CH3
  671775.4994  0.0049 -3.6045 3  370.3031292  5951614043628 8 4    3527 8 4      C-13-H3C(O)CH3
  671799.1589  0.0059 -3.8212 3  378.1457300  595161404372612 3    362512 3      C-13-H3C(O)CH3
  671819.8034  0.1322 -5.6945 3 1249.0912D52  59516140484 679 0    84 480 0      C-13-H3C(O)CH3
  671819.8034  0.1322 -5.6945 3 1249.0912D52  59516140484 579 0    84 580 0      C-13-H3C(O)CH3
  671827.0666  0.3338 -5.9562 3  928.0708468  595161404583722 4    573819 4      C-13-H3C(O)CH3
  671832.9262  0.0041 -3.4395 3  378.1898600 -595161404372611 0    362512 0      C-13-H3C(O)CH3
  671832.9262  0.0056 -3.7673 3  378.1684300 -595161404372611 4    362511 4      C-13-H3C(O)CH3
  671896.2891  0.1455 -6.2723 3 1300.3995A80  595161404675018 1    665116 1      C-13-H3C(O)CH3
  671908.9338  0.1665 -6.2724 3 1300.4500A80  595161404675017 2    665115 2      C-13-H3C(O)CH3
  671961.2768  0.0175 -5.2599 3  114.8240424  59516140426 423 2    25 124 2      C-13-H3C(O)CH3
  671961.2768  0.0175 -5.2599 3  114.8240424  59516140426 323 2    25 224 2      C-13-H3C(O)CH3
  671963.8291  0.0180 -5.3220 3  114.8244424  59516140426 423 1    25 224 1      C-13-H3C(O)CH3
  671963.8291  0.0180 -5.9793 3  114.8244424  59516140426 323 1    25 224 1      C-13-H3C(O)CH3
  671963.8291  0.0180 -5.9793 3  114.8244424  59516140426 423 1    25 124 1      C-13-H3C(O)CH3
  671963.8291  0.0180 -5.3220 3  114.8244424  59516140426 323 1    25 124 1      C-13-H3C(O)CH3
  671975.7150  0.1346 -6.2724 3 1300.4013A80  595161404675018 2    665116 2      C-13-H3C(O)CH3
  671977.0399  0.1517 -6.2722 3 1300.4432A80  595161404675017 1    665115 1      C-13-H3C(O)CH3
  671978.2961  0.0168 -3.7665 3  378.1645600 -595161404372611 1    362512 1      C-13-H3C(O)CH3
  672034.1779  0.0054 -4.7836 3  768.6248532  59516140466 462 4    65 561 4      C-13-H3C(O)CH3
  672034.1779  0.0054 -4.7836 3  768.6248532  59516140466 562 4    65 461 4      C-13-H3C(O)CH3
  672034.1779  0.0054 -4.0485 3  768.6248532  59516140466 562 4    65 561 4      C-13-H3C(O)CH3
  672034.1779  0.0054 -4.0485 3  768.6248532  59516140466 462 4    65 461 4      C-13-H3C(O)CH3
  672034.2178  0.0054 -4.2494 3  768.6248532  59516140466 462 3    65 461 3      C-13-H3C(O)CH3
  672034.2178  0.0054 -4.3047 3  768.6248532  59516140466 562 3    65 461 3      C-13-H3C(O)CH3
  672034.2178  0.0054 -4.2494 3  768.6248532  59516140466 562 3    65 561 3      C-13-H3C(O)CH3
  672034.2178  0.0054 -4.3047 3  768.6248532  59516140466 462 3    65 561 3      C-13-H3C(O)CH3
  672034.3255  0.1015 -5.9911 3 1198.4629668  59516140483 479 4    83 380 4      C-13-H3C(O)CH3
  672034.3255  0.1015 -5.9911 3 1198.4629668  59516140483 579 4    83 480 4      C-13-H3C(O)CH3
  672035.2048  0.1015 -6.0146 3 1198.4629668  59516140483 479 3    83 480 3      C-13-H3C(O)CH3
  672035.2048  0.1015 -6.0166 3 1198.4629668  59516140483 579 3    83 380 3      C-13-H3C(O)CH3
  672057.6214  0.0079 -4.0594 3  768.6445A64  59516140466 562 1    65 561 1      C-13-H3C(O)CH3
  672057.6214  0.0079 -3.9047 3  768.6445A64  59516140466 462 1    65 561 1      C-13-H3C(O)CH3
  672057.7651  0.0077 -5.1117 3  768.6442A64 -59516140466 462 2    65 461 2      C-13-H3C(O)CH3
  672057.7651  0.0079 -4.0594 3  768.6445A64 -59516140466 462 1    65 461 1      C-13-H3C(O)CH3
  672057.7651  0.0077 -5.1117 3  768.6442A64 -59516140466 562 2    65 561 2      C-13-H3C(O)CH3
  672057.7651  0.0079 -3.9047 3  768.6445A64 -59516140466 562 1    65 461 1      C-13-H3C(O)CH3
  672057.8029  0.0077 -3.6903 3  768.6442A64  59516140466 562 2    65 461 2      C-13-H3C(O)CH3
  672057.8029  0.0077 -3.6903 3  768.6442A64  59516140466 462 2    65 561 2      C-13-H3C(O)CH3
  672081.1253  0.0053 -3.6764 3  768.6638A64 -59516140466 562 0    65 461 0      C-13-H3C(O)CH3
  672081.1253  0.0053 -5.9700 3  768.6638A64 -59516140466 462 0    65 461 0      C-13-H3C(O)CH3
  672081.1848  0.0053 -5.9700 3  768.6638A64  59516140466 562 0    65 561 0      C-13-H3C(O)CH3
  672081.1848  0.0053 -3.6764 3  768.6638A64  59516140466 462 0    65 561 0      C-13-H3C(O)CH3
  672157.9639  0.0199 -5.6753 3  209.8800228  5951614042820 8 3    271710 3      C-13-H3C(O)CH3
  672162.6187  0.0254 -6.0189 3  183.3544212  5951614042620 7 4    2517 8 4      C-13-H3C(O)CH3
  672233.4097  0.0392 -4.5110 3  378.1457300  595161404372611 3    362512 3      C-13-H3C(O)CH3
  672276.5602  0.2253 -6.2487 3 1198.4857D36  59516140483 579 1    83 480 1      C-13-H3C(O)CH3
  672276.5602  0.2253 -5.7944 3 1198.4857D36  59516140483 579 1    83 380 1      C-13-H3C(O)CH3
  672276.5602  0.2253 -6.2487 3 1198.4857D36  59516140483 479 1    83 380 1      C-13-H3C(O)CH3
  672276.5602  0.2253 -5.7944 3 1198.4857D36  59516140483 479 1    83 480 1      C-13-H3C(O)CH3
  672280.3990  0.2252 -5.6637 3 1198.4854D36  59516140483 579 2    83 380 2      C-13-H3C(O)CH3
  672280.3990  0.2252 -5.6637 3 1198.4854D36  59516140483 479 2    83 480 2      C-13-H3C(O)CH3
  672288.1941  0.0062 -4.2940 3  243.7079252  595161404311715 4    301416 4      C-13-H3C(O)CH3
  672288.5725  0.0056 -4.2940 3  243.7079252  595161404311715 3    301416 3      C-13-H3C(O)CH3
  672330.2530  0.0960 -6.0662 3 1148.4825660  59516140482 479 4    82 280 4      C-13-H3C(O)CH3
  672330.2530  0.0960 -6.0662 3 1148.4825660  59516140482 379 4    82 380 4      C-13-H3C(O)CH3
  672331.0886  0.0960 -6.0754 3 1148.4825660  59516140482 479 3    82 380 3      C-13-H3C(O)CH3
  672331.0886  0.0960 -6.0754 3 1148.4825660  59516140482 379 3    82 280 3      C-13-H3C(O)CH3
  672339.9345  0.0053 -3.9930 3  243.7235504  595161404311715 2    301416 2      C-13-H3C(O)CH3
  672370.0708  0.0161 -4.9085 3  209.8812456  5951614042820 9 2    271710 2      C-13-H3C(O)CH3
  672382.3215  0.0053 -3.9930 3  243.7273504  595161404311715 1    301416 1      C-13-H3C(O)CH3
  672396.2806  0.0140 -6.2687 3  532.9408744  595161404462026 0    461729 0      C-13-H3C(O)CH3
  672396.2932  0.0140 -6.2687 3  532.9408744  595161404462126 0    461829 0      C-13-H3C(O)CH3
  672407.0003  0.0358 -4.4827 3  378.1684600  595161404372611 2    362512 2      C-13-H3C(O)CH3
  672433.7016  0.0051 -3.9930 3  243.7430504  595161404311715 0    301416 0      C-13-H3C(O)CH3
  672502.2820  0.0105 -5.5169 3  156.7656408  595161404251510 2    241213 2      C-13-H3C(O)CH3
  672510.6446  0.0175 -6.2687 3  532.9153744  595161404462026 2    461729 2      C-13-H3C(O)CH3
  672510.6589  0.0175 -6.2687 3  532.9153744  595161404462126 2    461829 2      C-13-H3C(O)CH3
  672521.5640  0.1241 -5.6661 3 1198.5082D36  59516140483 479 0    83 480 0      C-13-H3C(O)CH3
  672521.5640  0.1241 -5.6661 3 1198.5082D36  59516140483 579 0    83 380 0      C-13-H3C(O)CH3
  672523.0098  0.0153 -6.2669 3  532.9165744  595161404462026 1    461729 1      C-13-H3C(O)CH3
  672523.0237  0.0153 -6.2669 3  532.9165744  595161404462126 1    461829 1      C-13-H3C(O)CH3
  672545.4236  0.0197 -6.0927 3  151.8446188  5951614042321 2 4    2218 4 4      C-13-H3C(O)CH3
  672565.8006  0.1118 -6.1117 3 1099.0899652  59516140481 379 4    81 180 4      C-13-H3C(O)CH3
  672565.8006  0.1118 -6.1117 3 1099.0899652  59516140481 279 4    81 280 4      C-13-H3C(O)CH3
  672565.8969  0.1116 -6.0913 3 1099.0899652  59516140481 379 3    81 280 3      C-13-H3C(O)CH3
  672565.8969  0.1116 -6.0913 3 1099.0899652  59516140481 279 3    81 180 3      C-13-H3C(O)CH3
  672590.0993  0.0079 -3.7780 3  733.5820952 -595161404591347 0    581246 0      C-13-H3C(O)CH3
  672590.0993  0.0079 -4.8085 3  733.5820952 -595161404591347 0    581346 0      C-13-H3C(O)CH3
  672590.0993  0.0079 -3.7780 3  733.5820952 -595161404591247 0    581346 0      C-13-H3C(O)CH3
  672590.0993  0.0079 -4.8085 3  733.5820952 -595161404591247 0    581246 0      C-13-H3C(O)CH3
  672610.8090  0.0150 -3.7722 3  733.5567952  595161404591347 1    581246 1      C-13-H3C(O)CH3
  672610.8090  0.0150 -4.8749 3  733.5567952  595161404591347 1    581346 1      C-13-H3C(O)CH3
  672610.8090  0.0150 -3.7722 3  733.5567952  595161404591247 1    581346 1      C-13-H3C(O)CH3
  672610.8090  0.0150 -4.8749 3  733.5567952  595161404591247 1    581246 1      C-13-H3C(O)CH3
  672611.4586  0.0149 -3.7429 3  733.5564952  595161404591247 2    581346 2      C-13-H3C(O)CH3
  672611.4586  0.0149 -5.8084 3  733.5564952  595161404591247 2    581246 2      C-13-H3C(O)CH3
  672611.4586  0.0149 -3.7429 3  733.5564952  595161404591347 2    581246 2      C-13-H3C(O)CH3
  672611.4586  0.0149 -5.8084 3  733.5564952  595161404591347 2    581346 2      C-13-H3C(O)CH3
  672617.3241  0.0167 -6.2287 3  114.7668424  59516140426 423 0    25 124 0      C-13-H3C(O)CH3
  672617.3241  0.0167 -6.2287 3  114.7668424  59516140426 323 0    25 224 0      C-13-H3C(O)CH3
  672617.3241  0.0167 -5.2805 3  114.7668424  59516140426 323 0    25 124 0      C-13-H3C(O)CH3
  672617.3241  0.0167 -5.2805 3  114.7668424  59516140426 423 0    25 224 0      C-13-H3C(O)CH3
  672622.5479  0.0164 -6.0880 3  151.7895188  5951614042321 3 3    2218 4 3      C-13-H3C(O)CH3
  672632.1404  0.0117 -4.2461 3  733.5311476  595161404591247 3    581346 3      C-13-H3C(O)CH3
  672632.1404  0.0117 -4.4632 3  733.5311476  595161404591247 3    581246 3      C-13-H3C(O)CH3
  672632.1404  0.0117 -4.2461 3  733.5311476  595161404591347 3    581246 3      C-13-H3C(O)CH3
  672632.1404  0.0117 -4.4632 3  733.5311476  595161404591347 3    581346 3      C-13-H3C(O)CH3
  672632.1482  0.0117 -4.1399 3  733.5310476  595161404591347 4    581346 4      C-13-H3C(O)CH3
  672632.1482  0.0117 -4.1399 3  733.5310476  595161404591247 4    581246 4      C-13-H3C(O)CH3
  672632.1482  0.0117 -4.7279 3  733.5310476  595161404591247 4    581346 4      C-13-H3C(O)CH3
  672632.1482  0.0117 -4.7279 3  733.5310476  595161404591347 4    581246 4      C-13-H3C(O)CH3
  672642.2993  0.0102 -5.5155 3  156.7659408  595161404251510 0    241213 0      C-13-H3C(O)CH3
  672642.6418  0.2460 -5.5046 3  928.0227936  595161404583722 2    573819 2      C-13-H3C(O)CH3
  672647.0633  0.0429 -4.9703 3  378.1412300  595161404372611 4    362512 4      C-13-H3C(O)CH3
  672647.3203  0.0150 -5.1631 3  209.8921456  5951614042820 8 1    271710 1      C-13-H3C(O)CH3
  672679.2426  0.0121 -5.8220 3  156.7685204  595161404251510 3    241213 3      C-13-H3C(O)CH3
  672685.2782  0.0162 -5.8221 3  156.7686204  595161404251510 4    241213 4      C-13-H3C(O)CH3
  672718.2013  0.0200 -5.4068 3  209.8799228  5951614042820 8 4    271710 4      C-13-H3C(O)CH3
  672752.0278  0.1748 -5.5756 3  928.0478468  595161404583722 3    573819 3      C-13-H3C(O)CH3
  672768.6798  0.0119 -4.7545 3  209.8934456  5951614042820 9 0    271710 0      C-13-H3C(O)CH3
  672812.9626  0.1675 -6.2522 3 1148.4885D20  59516140482 379 1    82 280 1      C-13-H3C(O)CH3
  672812.9626  0.1675 -5.8177 3 1148.4885D20  59516140482 379 1    82 380 1      C-13-H3C(O)CH3
  672812.9626  0.1675 -6.2522 3 1148.4885D20  59516140482 479 1    82 380 1      C-13-H3C(O)CH3
  672812.9626  0.1675 -5.8177 3 1148.4885D20  59516140482 479 1    82 280 1      C-13-H3C(O)CH3
  672816.3169  0.1686 -5.7195 3 1148.4881D20  59516140482 479 2    82 380 2      C-13-H3C(O)CH3
  672816.3169  0.1686 -5.7195 3 1148.4881D20  59516140482 379 2    82 280 2      C-13-H3C(O)CH3
  672818.4856  0.0107 -5.5198 3  156.7689408  595161404251510 1    241213 1      C-13-H3C(O)CH3
  672832.6482  0.1714 -5.4746 3  928.0157936  595161404583722 1    573819 1      C-13-H3C(O)CH3
  672969.0342  0.0217 -3.9398 3  518.9353712  595161404442619 0    432518 0      C-13-H3C(O)CH3
  672978.0168  0.0171 -6.0897 3  151.7844188  5951614042321 2 3    2218 5 3      C-13-H3C(O)CH3
  673008.9406  0.0157 -5.2778 3  209.8812456  5951614042820 8 2    271710 2      C-13-H3C(O)CH3
  673055.1346  0.0169 -6.0850 3  151.7294188  5951614042321 3 4    2218 5 4      C-13-H3C(O)CH3
  673100.8716  0.0164 -6.1231 3  148.6048196  5951614042417 8 4    231211 4      C-13-H3C(O)CH3
  673168.4562  0.0195 -3.9397 3  518.9124712  595161404442619 1    432518 1      C-13-H3C(O)CH3
  673197.1232  0.0046 -5.0892 3  773.3648540  59516140467 464 4    66 463 4      C-13-H3C(O)CH3
  673197.1232  0.0046 -4.0021 3  773.3648540  59516140467 364 4    66 463 4      C-13-H3C(O)CH3
  673197.1452  0.0046 -3.9839 3  773.3648540  59516140467 464 3    66 463 3      C-13-H3C(O)CH3
  673197.1452  0.0046 -5.4104 3  773.3648540  59516140467 364 3    66 463 3      C-13-H3C(O)CH3
  673197.1980  0.0046 -5.0892 3  773.3648540 -59516140467 364 4    66 363 4      C-13-H3C(O)CH3
  673197.1980  0.0046 -5.4104 3  773.3648540 -59516140467 464 3    66 363 3      C-13-H3C(O)CH3
  673197.1980  0.0046 -4.0021 3  773.3648540 -59516140467 464 4    66 363 4      C-13-H3C(O)CH3
  673197.1980  0.0046 -3.9839 3  773.3648540 -59516140467 364 3    66 363 3      C-13-H3C(O)CH3
  673213.4249  0.0159 -5.7912 3  151.8356376  5951614042321 2 1    2218 4 1      C-13-H3C(O)CH3
  673223.3013  0.0066 -3.8875 3  773.3742A80  59516140467 364 1    66 463 1      C-13-H3C(O)CH3
  673223.3013  0.0066 -3.8875 3  773.3742A80  59516140467 464 1    66 363 1      C-13-H3C(O)CH3
  673223.3632  0.0066 -5.1964 3  773.3738A80  59516140467 464 2    66 363 2      C-13-H3C(O)CH3
  673223.3632  0.0066 -3.6799 3  773.3738A80  59516140467 364 2    66 363 2      C-13-H3C(O)CH3
  673223.4174  0.0066 -4.0667 3  773.3742A80 -59516140467 464 1    66 463 1      C-13-H3C(O)CH3
  673223.4174  0.0066 -5.1964 3  773.3738A80 -59516140467 364 2    66 463 2      C-13-H3C(O)CH3
  673223.4174  0.0066 -4.0667 3  773.3742A80 -59516140467 364 1    66 363 1      C-13-H3C(O)CH3
  673223.4174  0.0066 -3.6799 3  773.3738A80 -59516140467 464 2    66 463 2      C-13-H3C(O)CH3
  673235.1187  0.0149 -3.9531 3  304.6269552  595161404342014 2    331915 2      C-13-H3C(O)CH3
  673249.4713  0.0050 -3.7208 3  773.3833A80 -59516140467 364 0    66 363 0      C-13-H3C(O)CH3
  673249.4713  0.0050 -4.5997 3  773.3833A80 -59516140467 464 0    66 363 0      C-13-H3C(O)CH3
  673249.4846  0.0050 -3.7208 3  773.3833A80  59516140467 464 0    66 463 0      C-13-H3C(O)CH3
  673249.4846  0.0050 -4.5997 3  773.3833A80  59516140467 364 0    66 463 0      C-13-H3C(O)CH3
  673279.4493  0.0157 -5.5487 3  183.3567424  5951614042620 7 1    2517 8 1      C-13-H3C(O)CH3
  673297.7162  0.1015 -5.7218 3 1148.4941D20  59516140482 379 0    82 280 0      C-13-H3C(O)CH3
  673297.7162  0.1015 -5.7218 3 1148.4941D20  59516140482 479 0    82 380 0      C-13-H3C(O)CH3
  673365.7333  0.1658 -5.8837 3 1099.0680D04  59516140481 379 2    81 180 2      C-13-H3C(O)CH3
  673365.7333  0.1658 -5.8837 3 1099.0680D04  59516140481 279 2    81 280 2      C-13-H3C(O)CH3
  673365.8899  0.1619 -5.8185 3 1099.0684D04  59516140481 279 1    81 180 1      C-13-H3C(O)CH3
  673365.8899  0.1619 -5.8185 3 1099.0684D04  59516140481 379 1    81 280 1      C-13-H3C(O)CH3
  673387.2979  0.0180 -4.2542 3  304.6071276  595161404342014 3    331915 3      C-13-H3C(O)CH3
  673391.7132  0.0176 -4.2542 3  304.6071276  595161404342014 4    331915 4      C-13-H3C(O)CH3
  673421.5639  0.1175 -5.2457 3  927.9714936  595161404583722 0    573819 0      C-13-H3C(O)CH3
  673421.6643  0.0118 -3.9538 3  304.6524552  595161404342014 0    331915 0      C-13-H3C(O)CH3
  673446.6027  0.0307 -3.9397 3  518.8988712  595161404442619 2    432518 2      C-13-H3C(O)CH3
  673450.7698  0.0149 -5.7940 3  151.8448376  5951614042321 2 2    2218 4 2      C-13-H3C(O)CH3
  673517.6845  0.0068 -3.8375 3  618.6957792  595161404492326 0    482425 0      C-13-H3C(O)CH3
  673519.8695  0.0068 -3.8375 3  618.6957792 -595161404492426 0    482325 0      C-13-H3C(O)CH3
  673523.9463  0.0161 -5.7894 3  151.7898376  5951614042321 3 2    2218 5 2      C-13-H3C(O)CH3
  673526.6203  0.0195 -5.6717 3  183.3426212  5951614042620 7 3    2517 8 3      C-13-H3C(O)CH3
  673532.3253  0.0073 -3.8191 3  634.1576808 -595161404502228 0    492327 0      C-13-H3C(O)CH3
  673532.3253  0.0073 -3.8191 3  634.1576808 -595161404502328 0    492227 0      C-13-H3C(O)CH3
  673538.7916  0.1334 -5.7604 3  928.0137468  595161404583722 4    573820 4      C-13-H3C(O)CH3
  673562.1343  0.0083 -3.8376 3  618.6819792  595161404492326 1    482425 1      C-13-H3C(O)CH3
  673564.2316  0.0083 -3.8376 3  618.6819792  595161404492426 1    482325 1      C-13-H3C(O)CH3
  673571.1847  0.0139 -3.9539 3  304.6328552  595161404342014 1    331915 1      C-13-H3C(O)CH3
  673571.9919  0.0091 -3.8376 3  618.6803792  595161404492326 2    482425 2      C-13-H3C(O)CH3
  673574.1265  0.0090 -3.8376 3  618.6802792  595161404492426 2    482325 2      C-13-H3C(O)CH3
  673575.8703  0.0090 -3.8191 3  634.1440808  595161404502228 1    492327 1      C-13-H3C(O)CH3
  673575.9105  0.0090 -3.8191 3  634.1440808  595161404502328 1    492227 1      C-13-H3C(O)CH3
  673582.7329  0.0096 -3.8191 3  634.1428808  595161404502228 2    492327 2      C-13-H3C(O)CH3
  673582.7736  0.0096 -3.8191 3  634.1428808  595161404502328 2    492227 2      C-13-H3C(O)CH3
  673613.3290  0.1191 -5.5931 3  927.9903936  595161404583722 2    573820 2      C-13-H3C(O)CH3
  673616.4889  0.0102 -4.1386 3  618.6665396  595161404492326 3    482425 3      C-13-H3C(O)CH3
  673616.5654  0.0103 -4.1386 3  618.6664396  595161404492326 4    482425 4      C-13-H3C(O)CH3
  673618.7872  0.0102 -4.1386 3  618.6664396  595161404492426 3    482325 3      C-13-H3C(O)CH3
  673618.8526  0.0102 -4.1386 3  618.6664396  595161404492426 4    482325 4      C-13-H3C(O)CH3
  673626.4071  0.0109 -4.1202 3  634.1292404  595161404502228 3    492327 3      C-13-H3C(O)CH3
  673626.4528  0.0109 -4.1202 3  634.1292404  595161404502328 3    492227 3      C-13-H3C(O)CH3
  673626.4803  0.0109 -4.1202 3  634.1292404  595161404502228 4    492327 4      C-13-H3C(O)CH3
  673626.5255  0.0109 -4.1202 3  634.1292404  595161404502328 4    492227 4      C-13-H3C(O)CH3
  673636.2246  0.0294 -4.2406 3  518.8760356  595161404442619 4    432518 4      C-13-H3C(O)CH3
  673642.1426  0.0159 -5.7883 3  151.7755376  5951614042321 3 1    2218 5 1      C-13-H3C(O)CH3
  673652.2307  0.0299 -4.2405 3  518.8757356  595161404442619 3    432518 3      C-13-H3C(O)CH3
  673654.5881  0.1210 -5.6330 3  927.9883936  595161404583722 1    573820 1      C-13-H3C(O)CH3
  673679.1686  0.0080 -3.7617 3  742.6638968  595161404601249 0    591148 0      C-13-H3C(O)CH3
  673679.1686  0.0080 -4.9732 3  742.6638968  595161404601249 0    591248 0      C-13-H3C(O)CH3
  673679.1686  0.0080 -4.9732 3  742.6638968  595161404601149 0    591148 0      C-13-H3C(O)CH3
  673679.1686  0.0080 -3.7617 3  742.6638968  595161404601149 0    591248 0      C-13-H3C(O)CH3
  673695.5099  0.0159 -3.9161 3  742.6366968  595161404601149 1    591248 1      C-13-H3C(O)CH3
  673695.5099  0.0159 -4.2045 3  742.6366968  595161404601149 1    591148 1      C-13-H3C(O)CH3
  673695.5099  0.0159 -4.2045 3  742.6366968  595161404601249 1    591248 1      C-13-H3C(O)CH3
  673695.5099  0.0159 -3.9161 3  742.6366968  595161404601249 1    591148 1      C-13-H3C(O)CH3
  673696.0558  0.0158 -5.5024 3  742.6364968  595161404601149 2    591248 2      C-13-H3C(O)CH3
  673696.0558  0.0158 -5.5024 3  742.6364968  595161404601249 2    591148 2      C-13-H3C(O)CH3
  673696.0558  0.0158 -3.7432 3  742.6364968  595161404601249 2    591248 2      C-13-H3C(O)CH3
  673696.0558  0.0158 -3.7432 3  742.6364968  595161404601149 2    591148 2      C-13-H3C(O)CH3
  673712.4202  0.0113 -4.2631 3  742.6091484  595161404601249 4    591248 4      C-13-H3C(O)CH3
  673712.4202  0.0113 -4.4278 3  742.6091484  595161404601149 4    591248 4      C-13-H3C(O)CH3
  673712.4202  0.0113 -4.4278 3  742.6091484  595161404601249 4    591148 4      C-13-H3C(O)CH3
  673712.4202  0.0113 -4.2631 3  742.6091484  595161404601149 4    591148 4      C-13-H3C(O)CH3
  673712.4231  0.0113 -4.1371 3  742.6092484  595161404601249 3    591148 3      C-13-H3C(O)CH3
  673712.4231  0.0113 -4.1371 3  742.6092484  595161404601149 3    591248 3      C-13-H3C(O)CH3
  673712.4231  0.0113 -4.7218 3  742.6092484  595161404601149 3    591148 3      C-13-H3C(O)CH3
  673712.4231  0.0113 -4.7218 3  742.6092484  595161404601249 3    591248 3      C-13-H3C(O)CH3
  673749.0375  0.1642 -4.8995 3  679.5258404  595161404503020 3    493119 3      C-13-H3C(O)CH3
  673772.9179  0.0162 -5.5719 3  183.3426212  5951614042620 6 3    2517 8 3      C-13-H3C(O)CH3
  673814.8922  0.0160 -5.4642 3  183.3547424  5951614042620 7 2    2517 8 2      C-13-H3C(O)CH3
  673907.7726  0.0077 -3.8061 3  648.9670824 -595161404512130 0    502229 0      C-13-H3C(O)CH3
  673907.7726  0.0077 -3.8061 3  648.9670824 -595161404512230 0    502129 0      C-13-H3C(O)CH3
  673929.8086  0.1499 -4.9058 3  679.5204404  595161404503020 4    493119 4      C-13-H3C(O)CH3
  673932.5000  0.3757 -6.1548 3 1050.2251C88  59516140480 279 2    80 180 2      C-13-H3C(O)CH3
  673932.5000  0.3757 -6.1548 3 1050.2251C88  59516140480 179 2    80 080 2      C-13-H3C(O)CH3
  673940.9857  0.3654 -6.2457 3 1050.2252C88  59516140480 279 1    80 080 1      C-13-H3C(O)CH3
  673940.9857  0.3654 -6.2535 3 1050.2252C88  59516140480 279 1    80 180 1      C-13-H3C(O)CH3
  673940.9857  0.3654 -6.2457 3 1050.2252C88  59516140480 179 1    80 180 1      C-13-H3C(O)CH3
  673940.9857  0.3654 -6.2535 3 1050.2252C88  59516140480 179 1    80 080 1      C-13-H3C(O)CH3
  673950.2808  0.0096 -3.8061 3  648.9534824  595161404512130 1    502229 1      C-13-H3C(O)CH3
  673950.2814  0.0096 -3.8061 3  648.9534824  595161404512230 1    502129 1      C-13-H3C(O)CH3
  673955.2833  0.0101 -3.8061 3  648.9525824  595161404512130 2    502229 2      C-13-H3C(O)CH3
  673955.2839  0.0101 -3.8061 3  648.9525824  595161404512230 2    502129 2      C-13-H3C(O)CH3
  673988.1511  0.0123 -5.7749 3  148.6029392  5951614042417 8 1    231211 1      C-13-H3C(O)CH3
  673997.9526  0.0115 -4.1071 3  648.9389412  595161404512130 3    502229 3      C-13-H3C(O)CH3
  673997.9533  0.0115 -4.1071 3  648.9389412  595161404512230 3    502129 3      C-13-H3C(O)CH3
  673998.0241  0.0115 -4.1071 3  648.9388412  595161404512130 4    502229 4      C-13-H3C(O)CH3
  673998.0248  0.0115 -4.1071 3  648.9388412  595161404512230 4    502129 4      C-13-H3C(O)CH3
  674045.8120  0.0108 -5.9689 3  148.6045196  5951614042417 8 3    231211 3      C-13-H3C(O)CH3
  674116.7561  0.0168 -5.7935 3  151.8358376  5951614042321 3 0    2218 4 0      C-13-H3C(O)CH3
  674116.8259  0.0065 -3.8651 3  602.5269776  595161404482424 0    472523 0      C-13-H3C(O)CH3
  674118.5414  0.0168 -5.7935 3  151.8357376  5951614042321 2 0    2218 5 0      C-13-H3C(O)CH3
  674160.7702  0.0078 -3.8652 3  602.5126776  595161404482424 1    472523 1      C-13-H3C(O)CH3
  674164.5252  0.1204 -6.0107 3 1099.0466D04  59516140481 279 0    81 180 0      C-13-H3C(O)CH3
  674164.5252  0.1204 -6.0971 3 1099.0466D04  59516140481 279 0    81 280 0      C-13-H3C(O)CH3
  674164.5252  0.1204 -6.0971 3 1099.0466D04  59516140481 379 0    81 180 0      C-13-H3C(O)CH3
  674164.5252  0.1204 -6.0107 3 1099.0466D04  59516140481 379 0    81 280 0      C-13-H3C(O)CH3
  674175.3978  0.0087 -3.8652 3  602.5101776  595161404482424 2    472523 2      C-13-H3C(O)CH3
  674193.6208  0.0064 -3.8650 3  602.5249776 -595161404482524 0    472423 0      C-13-H3C(O)CH3
  674219.2566  0.0097 -4.1664 3  602.4958388  595161404482424 3    472523 3      C-13-H3C(O)CH3
  674219.4363  0.0097 -4.1664 3  602.4957388  595161404482424 4    472523 4      C-13-H3C(O)CH3
  674241.1386  0.0077 -3.8651 3  602.5105776  595161404482524 1    472423 1      C-13-H3C(O)CH3
  674257.2769  0.0083 -3.8651 3  602.5080776  595161404482524 2    472423 2      C-13-H3C(O)CH3
  674304.9066  0.0094 -4.1662 3  602.4935388  595161404482524 4    472423 4      C-13-H3C(O)CH3
  674304.9697  0.0094 -4.1662 3  602.4935388  595161404482524 3    472423 3      C-13-H3C(O)CH3
  674338.9503  0.0097 -3.6928 3  411.4552632 -595161404392515 1    382414 1      C-13-H3C(O)CH3
  674340.1538  0.0092 -3.6922 3  411.4736632 -595161404392515 0    382414 0      C-13-H3C(O)CH3
  674345.4616  0.0090 -5.9327 3  145.7318196  5951614042416 9 4    231112 4      C-13-H3C(O)CH3
  674371.0673  0.0044 -6.2073 3  777.5744548  59516140468 266 4    67 365 4      C-13-H3C(O)CH3
  674371.0673  0.0044 -3.9626 3  777.5744548  59516140468 366 4    67 365 4      C-13-H3C(O)CH3
  674371.1254  0.0044 -3.9626 3  777.5744548 -59516140468 266 4    67 265 4      C-13-H3C(O)CH3
  674371.1254  0.0044 -3.9610 3  777.5744548 -59516140468 366 3    67 365 3      C-13-H3C(O)CH3
  674371.1254  0.0044 -6.2073 3  777.5744548 -59516140468 366 4    67 265 4      C-13-H3C(O)CH3
  674371.1254  0.0044 -3.9610 3  777.5744548 -59516140468 266 3    67 265 3      C-13-H3C(O)CH3
  674396.3731  0.0075 -4.4505 3  777.5676A96  59516140468 266 2    67 265 2      C-13-H3C(O)CH3
  674396.3731  0.0075 -4.4505 3  777.5676A96  59516140468 366 2    67 365 2      C-13-H3C(O)CH3
  674396.4214  0.0075 -3.7356 3  777.5676A96 -59516140468 366 2    67 265 2      C-13-H3C(O)CH3
  674396.4214  0.0072 -4.1434 3  777.5681A96 -59516140468 366 1    67 365 1      C-13-H3C(O)CH3
  674396.4214  0.0072 -4.1434 3  777.5681A96 -59516140468 266 1    67 265 1      C-13-H3C(O)CH3
  674396.4214  0.0072 -3.8316 3  777.5681A96 -59516140468 366 1    67 265 1      C-13-H3C(O)CH3
  674396.4214  0.0075 -3.7356 3  777.5676A96 -59516140468 266 2    67 365 2      C-13-H3C(O)CH3
  674396.4214  0.0072 -3.8316 3  777.5681A96 -59516140468 266 1    67 365 1      C-13-H3C(O)CH3
  674421.6772  0.0052 -4.2074 3  777.5614A96 -59516140468 266 0    67 265 0      C-13-H3C(O)CH3
  674421.6772  0.0052 -3.8034 3  777.5614A96 -59516140468 366 0    67 265 0      C-13-H3C(O)CH3
  674421.6819  0.0052 -4.2074 3  777.5614A96  59516140468 366 0    67 365 0      C-13-H3C(O)CH3
  674421.6819  0.0052 -3.8034 3  777.5614A96  59516140468 266 0    67 365 0      C-13-H3C(O)CH3
  674434.7721  0.0159 -5.4166 3  183.3544212  5951614042620 6 4    2517 8 4      C-13-H3C(O)CH3
  674469.5304  0.0227 -5.5643 3  196.2451220  5951614042720 8 4    2617 9 4      C-13-H3C(O)CH3
  674496.9050  0.0116 -5.7484 3  148.5966392  5951614042417 8 2    231211 2      C-13-H3C(O)CH3
  674504.6856  0.0081 -3.7966 3  663.1572840  595161404522032 0    512131 0      C-13-H3C(O)CH3
  674504.6856  0.0081 -3.7966 3  663.1572840  595161404522132 0    512031 0      C-13-H3C(O)CH3
  674526.2647  0.1640 -4.5981 3  679.5220808  595161404503020 2    493119 2      C-13-H3C(O)CH3
  674534.0551  0.0109 -3.9973 3  411.4292316  595161404392515 4    382414 4      C-13-H3C(O)CH3
  674536.3178  0.0115 -5.1701 3  183.3567424  5951614042620 6 1    2517 8 1      C-13-H3C(O)CH3
  674546.1032  0.0102 -3.7966 3  663.1433840  595161404522132 1    512031 1      C-13-H3C(O)CH3
  674546.1032  0.0102 -3.7966 3  663.1433840  595161404522032 1    512131 1      C-13-H3C(O)CH3
  674549.8663  0.0106 -3.7966 3  663.1426840  595161404522032 2    512131 2      C-13-H3C(O)CH3
  674549.8663  0.0106 -3.7966 3  663.1426840  595161404522132 2    512031 2      C-13-H3C(O)CH3
  674567.5948  0.0111 -3.6936 3  411.4476632  595161404392515 2    382414 2      C-13-H3C(O)CH3
  674567.8114  0.0070 -5.9204 3  145.7317196  5951614042416 9 3    231112 3      C-13-H3C(O)CH3
  674591.3411  0.0120 -4.0976 3  663.1286420  595161404522032 3    512131 3      C-13-H3C(O)CH3
  674591.3412  0.0120 -4.0976 3  663.1286420  595161404522132 3    512031 3      C-13-H3C(O)CH3
  674591.4095  0.0120 -4.0976 3  663.1286420  595161404522032 4    512131 4      C-13-H3C(O)CH3
  674591.4095  0.0120 -4.0976 3  663.1286420  595161404522132 4    512031 4      C-13-H3C(O)CH3
  674594.5654  0.0144 -3.9928 3  411.4290316  595161404392515 3    382414 3      C-13-H3C(O)CH3
  674602.8833  0.0058 -3.1186 3  366.9084552 -5951614043433 2 2    3332 2 2      C-13-H3C(O)CH3
  674606.7973  0.0055 -3.1187 3  366.9767552 -5951614043433 2 0    3332 1 0      C-13-H3C(O)CH3
  674606.7973  0.0055 -3.1187 3  366.9767552 -5951614043433 1 0    3332 2 0      C-13-H3C(O)CH3
  674683.4452  0.0085 -3.4194 3  366.8340276  5951614043433 2 4    3332 2 4      C-13-H3C(O)CH3
  674687.0621  0.0061 -3.1184 3  366.9021552 -5951614043433 2 1    3332 2 1      C-13-H3C(O)CH3
  674760.5288  0.0103 -5.0206 3  183.3623424  5951614042620 7 0    2517 8 0      C-13-H3C(O)CH3
  674769.4881  0.0079 -5.6229 3  145.7290392  5951614042416 9 1    231112 1      C-13-H3C(O)CH3
  674783.1408  0.0082 -4.3405 3  751.2020984  595161404611051 0    601150 0      C-13-H3C(O)CH3
  674783.1408  0.0082 -3.7321 3  751.2020984  595161404611151 0    601150 0      C-13-H3C(O)CH3
  674783.1408  0.0082 -3.8550 3  751.2020984  595161404611051 0    601050 0      C-13-H3C(O)CH3
  674783.8447  0.0052 -5.9007 3  392.3896616  595161404382513 1    372413 1      C-13-H3C(O)CH3
  674794.6363  0.0168 -4.1394 3  751.1732984  595161404611151 1    601050 1      C-13-H3C(O)CH3
  674794.6363  0.0168 -4.1394 3  751.1732984  595161404611051 1    601150 1      C-13-H3C(O)CH3
  674794.6363  0.0168 -3.9477 3  751.1732984  595161404611051 1    601050 1      C-13-H3C(O)CH3
  674794.6363  0.0168 -3.9477 3  751.1732984  595161404611151 1    601150 1      C-13-H3C(O)CH3
  674795.1111  0.0166 -3.7498 3  751.1729984  595161404611151 2    601150 2      C-13-H3C(O)CH3
  674795.1111  0.0166 -5.1293 3  751.1729984  595161404611151 2    601050 2      C-13-H3C(O)CH3
  674795.1111  0.0166 -3.7498 3  751.1729984  595161404611051 2    601050 2      C-13-H3C(O)CH3
  674795.1111  0.0166 -5.1293 3  751.1729984  595161404611051 2    601150 2      C-13-H3C(O)CH3
  674801.7264  0.0059 -3.1184 3  366.9329552 -5951614043433 1 2    3332 1 2      C-13-H3C(O)CH3
  674802.1005  0.0060 -4.2756 3  266.1051260  595161404321914 4    311615 4      C-13-H3C(O)CH3
  674805.5402  0.0058 -4.2756 3  266.1051260  595161404321914 3    311615 3      C-13-H3C(O)CH3
  674806.6139  0.0109 -4.5988 3  751.1440492  595161404611151 4    601150 4      C-13-H3C(O)CH3
  674806.6139  0.0109 -4.1708 3  751.1440492  595161404611051 4    601150 4      C-13-H3C(O)CH3
  674806.6139  0.0109 -4.1708 3  751.1440492  595161404611151 4    601050 4      C-13-H3C(O)CH3
  674806.6139  0.0109 -4.5988 3  751.1440492  595161404611051 4    601050 4      C-13-H3C(O)CH3
  674806.6278  0.0109 -4.0861 3  751.1441492  595161404611151 3    601050 3      C-13-H3C(O)CH3
  674806.6278  0.0109 -4.0861 3  751.1441492  595161404611051 3    601150 3      C-13-H3C(O)CH3
  674806.6278  0.0109 -4.9722 3  751.1441492  595161404611051 3    601050 3      C-13-H3C(O)CH3
  674806.6278  0.0109 -4.9722 3  751.1441492  595161404611151 3    601150 3      C-13-H3C(O)CH3
  674826.2220  0.0125 -5.2140 3  183.3547424  5951614042620 6 2    2517 8 2      C-13-H3C(O)CH3
  674830.5798  0.0059 -3.9746 3  266.1280520  595161404321914 1    311615 1      C-13-H3C(O)CH3
  674841.0824  0.0060 -3.9750 3  266.1220520  595161404321914 2    311615 2      C-13-H3C(O)CH3
  674843.8854  0.0919 -4.5961 3  679.5211808  595161404503020 1    493119 1      C-13-H3C(O)CH3
  674866.2410  0.0062 -3.9749 3  266.1450520  595161404321914 0    311615 0      C-13-H3C(O)CH3
  674869.6221  0.0080 -3.4192 3  366.8832276  5951614043433 1 3    3332 1 3      C-13-H3C(O)CH3
  674874.2326  0.0060 -3.1183 3  366.9513552 -5951614043433 1 1    3332 1 1      C-13-H3C(O)CH3
  674881.5453  0.0082 -3.4192 3  366.8585276  5951614043433 2 3    3332 2 3      C-13-H3C(O)CH3
  674909.5049  0.0062 -5.6824 3  392.3689308  595161404382513 3    372413 3      C-13-H3C(O)CH3
  674927.0717  0.0065 -5.0079 3  392.3890616  595161404382513 2    372413 2      C-13-H3C(O)CH3
  674939.8738  0.0075 -5.6216 3  145.7252392  5951614042416 9 2    231112 2      C-13-H3C(O)CH3
  674979.4399  0.0087 -5.0729 3  392.3697308  595161404382513 4    372413 4      C-13-H3C(O)CH3
  675068.1281  0.0084 -3.4190 3  366.9076276  5951614043433 1 4    3332 1 4      C-13-H3C(O)CH3
  675132.9113  0.1561 -5.8585 3 1162.2866A32  595161404644519 2    634617 2      C-13-H3C(O)CH3
  675139.5467  0.2482 -6.0686 3 1050.1628C88  59516140480 279 0    80 080 0      C-13-H3C(O)CH3
  675139.5467  0.2482 -6.0686 3 1050.1628C88  59516140480 179 0    80 180 0      C-13-H3C(O)CH3
  675143.1739  0.0094 -5.6462 3  148.5949392  5951614042417 8 0    231211 0      C-13-H3C(O)CH3
  675169.9950  0.1791 -5.8585 3 1162.2330A32  595161404644520 0    634617 0      C-13-H3C(O)CH3
  675170.8907  0.1791 -5.8585 3 1162.2330A32  595161404644519 0    634618 0      C-13-H3C(O)CH3
  675171.6855  0.0081 -3.9126 3  585.5656760  595161404472522 0    462621 0      C-13-H3C(O)CH3
  675193.7318  0.0086 -3.9128 3  585.5506760  595161404472522 1    462621 1      C-13-H3C(O)CH3
  675204.5912  0.0115 -3.9130 3  585.5470760  595161404472522 2    462621 2      C-13-H3C(O)CH3
  675225.1601  0.0115 -4.2143 3  585.5320380  595161404472522 3    462621 3      C-13-H3C(O)CH3
  675226.7675  0.0146 -5.2206 3  196.2540440  5951614042720 8 1    2617 9 1      C-13-H3C(O)CH3
  675227.0075  0.0117 -4.2143 3  585.5319380  595161404472522 4    462621 4      C-13-H3C(O)CH3
  675235.5047  0.1479 -6.1594 3 1162.3349516  595161404644519 4    634617 4      C-13-H3C(O)CH3
  675246.3012  0.0084 -4.5132 3  676.7497856  595161404532034 0    522033 0      C-13-H3C(O)CH3
  675246.3012  0.0084 -3.8821 3  676.7497856  595161404532034 0    521933 0      C-13-H3C(O)CH3
  675246.3012  0.0084 -3.8804 3  676.7497856  595161404531934 0    522033 0      C-13-H3C(O)CH3
  675246.3012  0.0084 -4.5059 3  676.7497856  595161404531934 0    521933 0      C-13-H3C(O)CH3
  675251.8642  0.0079 -5.6181 3  145.7225392  5951614042416 9 0    231112 0      C-13-H3C(O)CH3
  675270.5962  0.0296 -6.2819 3  734.1021856  595161404532627 0    532330 0      C-13-H3C(O)CH3
  675272.4521  0.1783 -5.8583 3 1162.2812A32  595161404644519 1    634617 1      C-13-H3C(O)CH3
  675272.8214  0.0295 -6.2819 3  734.1021856  595161404532727 0    532430 0      C-13-H3C(O)CH3
  675286.3175  0.0108 -3.7914 3  676.7352856  595161404531934 1    522033 1      C-13-H3C(O)CH3
  675286.3175  0.0108 -3.7897 3  676.7352856  595161404532034 1    521933 1      C-13-H3C(O)CH3
  675289.2091  0.0111 -4.4402 3  676.7346856  595161404531934 2    522033 2      C-13-H3C(O)CH3
  675289.2091  0.0111 -4.4702 3  676.7346856  595161404532034 2    521933 2      C-13-H3C(O)CH3
  675289.2091  0.0111 -3.8910 3  676.7346856  595161404531934 2    521933 2      C-13-H3C(O)CH3
  675289.2091  0.0111 -3.8993 3  676.7346856  595161404532034 2    522033 2      C-13-H3C(O)CH3
  675329.2805  0.0125 -4.0911 3  676.7201428  595161404532034 3    521933 3      C-13-H3C(O)CH3
  675329.2805  0.0125 -4.0905 3  676.7201428  595161404531934 3    522033 3      C-13-H3C(O)CH3
  675329.3445  0.0125 -4.0971 3  676.7200428  595161404531934 4    521933 4      C-13-H3C(O)CH3
  675329.3445  0.0125 -4.0981 3  676.7200428  595161404532034 4    522033 4      C-13-H3C(O)CH3
  675329.3445  0.0125 -5.8503 3  676.7200428  595161404531934 4    522033 4      C-13-H3C(O)CH3
  675329.3445  0.0125 -5.9068 3  676.7200428  595161404532034 4    521933 4      C-13-H3C(O)CH3
  675336.4326  0.0200 -5.4403 3  196.2429220  5951614042720 8 3    2617 9 3      C-13-H3C(O)CH3
  675361.6975  0.0445 -6.2817 3  734.0957856  595161404532627 2    532330 2      C-13-H3C(O)CH3
  675364.1301  0.0445 -6.2817 3  734.0957856  595161404532727 2    532430 2      C-13-H3C(O)CH3
  675365.6436  0.0329 -6.2810 3  734.0961856  595161404532627 1    532330 1      C-13-H3C(O)CH3
  675368.0763  0.0329 -6.2810 3  734.0961856  595161404532727 1    532430 1      C-13-H3C(O)CH3
  675375.3676  0.0061 -4.4828 3  194.0718236  595161404291118 4    281019 4      C-13-H3C(O)CH3
  675375.4103  0.0061 -4.4828 3  194.0718236  595161404291218 4    28 919 4      C-13-H3C(O)CH3
  675375.6700  0.0049 -4.4828 3  194.0718236  595161404291118 3    281019 3      C-13-H3C(O)CH3
  675375.7130  0.0049 -4.4828 3  194.0718236  595161404291218 3    28 919 3      C-13-H3C(O)CH3
  675441.8714  0.1478 -5.8585 3 1162.2567A32  595161404644520 2    634618 2      C-13-H3C(O)CH3
  675455.4011  0.1396 -6.1593 3 1162.3054516  595161404644520 3    634617 3      C-13-H3C(O)CH3
  675493.1769  0.1599 -5.8582 3 1162.2517A32  595161404644520 1    634618 1      C-13-H3C(O)CH3
  675534.6488  0.1037 -4.5927 3  679.5201808  595161404503020 0    493119 0      C-13-H3C(O)CH3
  675543.9738  0.1433 -6.1593 3 1162.3050516  595161404644519 3    634618 3      C-13-H3C(O)CH3
  675557.4861  0.0054 -3.9561 3  781.2557556  59516140469 268 3    68 167 3      C-13-H3C(O)CH3
  675557.4861  0.0054 -5.9447 3  781.2557556  59516140469 168 3    68 167 3      C-13-H3C(O)CH3
  675557.5028  0.0054 -5.4735 3  781.2558556  59516140469 268 4    68 267 4      C-13-H3C(O)CH3
  675557.5028  0.0054 -3.9649 3  781.2558556  59516140469 168 4    68 267 4      C-13-H3C(O)CH3
  675557.5348  0.0054 -3.9561 3  781.2557556 -59516140469 168 3    68 267 3      C-13-H3C(O)CH3
  675557.5348  0.0054 -5.9447 3  781.2557556 -59516140469 268 3    68 267 3      C-13-H3C(O)CH3
  675557.5348  0.0054 -5.4735 3  781.2558556 -59516140469 168 4    68 167 4      C-13-H3C(O)CH3
  675557.5348  0.0054 -3.9649 3  781.2558556 -59516140469 268 4    68 167 4      C-13-H3C(O)CH3
  675561.1934  0.0130 -6.2913 3  505.3705728  595161404451926 0    451629 0      C-13-H3C(O)CH3
  675561.1972  0.0130 -6.2913 3  505.3705728  595161404452026 0    451729 0      C-13-H3C(O)CH3
  675576.1753  0.0080 -4.6692 3  781.2257B12 -59516140469 168 2    68 267 2      C-13-H3C(O)CH3
  675576.1753  0.0078 -3.7670 3  781.2261B12 -59516140469 268 1    68 267 1      C-13-H3C(O)CH3
  675576.1753  0.0078 -3.7670 3  781.2261B12 -59516140469 168 1    68 167 1      C-13-H3C(O)CH3
  675576.1753  0.0080 -4.6692 3  781.2257B12 -59516140469 268 2    68 167 2      C-13-H3C(O)CH3
  675576.1792  0.0080 -3.6943 3  781.2257B12  59516140469 268 2    68 267 2      C-13-H3C(O)CH3
  675576.1792  0.0080 -3.6943 3  781.2257B12  59516140469 168 2    68 167 2      C-13-H3C(O)CH3
  675576.2464  0.0078 -4.2792 3  781.2261B12  59516140469 168 1    68 267 1      C-13-H3C(O)CH3
  675576.2464  0.0078 -4.2792 3  781.2261B12  59516140469 268 1    68 167 1      C-13-H3C(O)CH3
  675594.0776  0.0046 -4.1815 3  194.0748472  595161404291118 2    281019 2      C-13-H3C(O)CH3
  675594.1213  0.0046 -4.1815 3  194.0748472  595161404291218 2    28 919 2      C-13-H3C(O)CH3
  675594.7548  0.0055 -4.5946 3  781.1960B12 -59516140469 168 0    68 267 0      C-13-H3C(O)CH3
  675594.7548  0.0055 -3.7029 3  781.1960B12 -59516140469 168 0    68 167 0      C-13-H3C(O)CH3
  675594.7548  0.0055 -4.5946 3  781.1960B12 -59516140469 268 0    68 167 0      C-13-H3C(O)CH3
  675594.7548  0.0055 -3.7029 3  781.1960B12 -59516140469 268 0    68 267 0      C-13-H3C(O)CH3
  675612.8462  0.0047 -4.1815 3  194.0763472  595161404291118 1    281019 1      C-13-H3C(O)CH3
  675612.8875  0.0047 -4.1815 3  194.0763472  595161404291218 1    28 919 1      C-13-H3C(O)CH3
  675663.1717  0.0158 -6.2913 3  505.3431728  595161404451926 2    451629 2      C-13-H3C(O)CH3
  675663.1760  0.0158 -6.2913 3  505.3431728  595161404452026 2    451729 2      C-13-H3C(O)CH3
  675674.7284  0.0164 -3.9195 3  324.7044568  595161404352114 2    342015 2      C-13-H3C(O)CH3
  675676.0633  0.0144 -6.2892 3  505.3443728  595161404451926 1    451629 1      C-13-H3C(O)CH3
  675676.0674  0.0144 -6.2892 3  505.3443728  595161404452026 1    451729 1      C-13-H3C(O)CH3
  675679.0123  0.0183 -5.5426 3  196.2429220  5951614042720 7 3    2617 9 3      C-13-H3C(O)CH3
  675695.1398  0.0113 -6.2224 3  148.6029392  5951614042417 7 1    231211 1      C-13-H3C(O)CH3
  675765.3073  0.1454 -6.1592 3 1162.2756516  595161404644520 4    634618 4      C-13-H3C(O)CH3
  675803.3090  0.4656 -6.2598 3 1707.6099E96  595161404931480 1    931381 1      C-13-H3C(O)CH3
  675803.3090  0.4656 -6.2598 3 1707.6099E96  595161404931380 1    931281 1      C-13-H3C(O)CH3
  675810.0908  0.4692 -6.2785 3 1707.6099E96  595161404931480 2    931381 2      C-13-H3C(O)CH3
  675810.0908  0.4692 -6.2785 3 1707.6099E96  595161404931380 2    931281 2      C-13-H3C(O)CH3
  675819.8222  0.0191 -4.2208 3  324.6840284  595161404352114 4    342015 4      C-13-H3C(O)CH3
  675822.7174  0.0141 -5.4094 3  183.2323212  5951614042620 7 4    2517 9 4      C-13-H3C(O)CH3
  675823.4145  0.0187 -4.2208 3  324.6841284  595161404352114 3    342015 3      C-13-H3C(O)CH3
  675830.8381  0.0047 -4.1811 3  194.0794472  595161404291118 0    281019 0      C-13-H3C(O)CH3
  675830.8800  0.0047 -4.1811 3  194.0794472  595161404291218 0    28 919 0      C-13-H3C(O)CH3
  675857.6641  0.0106 -5.2923 3  171.6738424  595161404261610 2    251313 2      C-13-H3C(O)CH3
  675859.0385  0.0152 -5.1891 3  196.2486440  5951614042720 8 2    2617 9 2      C-13-H3C(O)CH3
  675878.0127  0.0125 -3.9206 3  324.7307568  595161404352114 0    342015 0      C-13-H3C(O)CH3
  675900.0871  0.0084 -4.5456 3  759.1983A00 -59516140462 953 0    611052 0      C-13-H3C(O)CH3
  675900.0871  0.0084 -3.7999 3  759.1983A00 -59516140462 953 0    61 952 0      C-13-H3C(O)CH3
  675900.0871  0.0084 -3.7999 3  759.1983A00 -595161404621053 0    611052 0      C-13-H3C(O)CH3
  675900.0871  0.0084 -4.5456 3  759.1983A00 -595161404621053 0    61 952 0      C-13-H3C(O)CH3
  675906.3976  0.0172 -5.9175 3  759.1681A00  59516140462 953 1    61 952 1      C-13-H3C(O)CH3
  675906.3976  0.0172 -3.7309 3  759.1681A00  59516140462 953 1    611052 1      C-13-H3C(O)CH3
  675906.3976  0.0172 -3.7309 3  759.1681A00  595161404621053 1    61 952 1      C-13-H3C(O)CH3
  675906.3976  0.0172 -5.9175 3  759.1681A00  595161404621053 1    611052 1      C-13-H3C(O)CH3
  675906.8260  0.0170 -5.3034 3  759.1678A00  595161404621053 2    611052 2      C-13-H3C(O)CH3
  675906.8260  0.0170 -3.7398 3  759.1678A00  595161404621053 2    61 952 2      C-13-H3C(O)CH3
  675906.8260  0.0170 -5.3034 3  759.1678A00  59516140462 953 2    61 952 2      C-13-H3C(O)CH3
  675906.8260  0.0170 -3.7398 3  759.1678A00  59516140462 953 2    611052 2      C-13-H3C(O)CH3
  675912.9385  0.0104 -5.4010 3  759.1376500  59516140462 953 4    611052 4      C-13-H3C(O)CH3
  675912.9385  0.0104 -5.4010 3  759.1376500  595161404621053 4    61 952 4      C-13-H3C(O)CH3
  675912.9385  0.0104 -4.0479 3  759.1376500  595161404621053 4    611052 4      C-13-H3C(O)CH3
  675912.9385  0.0104 -4.0479 3  759.1376500  59516140462 953 4    61 952 4      C-13-H3C(O)CH3
  675912.9635  0.0104 -4.0307 3  759.1376500  59516140462 953 3    61 952 3      C-13-H3C(O)CH3
  675912.9635  0.0104 -4.0307 3  759.1376500  595161404621053 3    611052 3      C-13-H3C(O)CH3
  675971.2584  0.0097 -5.2912 3  171.6787424  595161404261610 0    251313 0      C-13-H3C(O)CH3
  676020.3323  0.0138 -3.9209 3  324.7103568  595161404352114 1    342015 1      C-13-H3C(O)CH3
  676023.1402  0.0150 -5.5979 3  171.6728212  595161404261610 4    251313 4      C-13-H3C(O)CH3
  676028.1227  0.0131 -5.5978 3  171.6728212  595161404261610 3    251313 3      C-13-H3C(O)CH3
  676053.7403  0.0631 -4.4586 3  594.8088380  595161404472720 3    462819 3      C-13-H3C(O)CH3
  676085.8393  0.0631 -4.4587 3  594.8079380  595161404472720 4    462819 4      C-13-H3C(O)CH3
  676086.7848  0.0086 -3.8021 3  689.7593872  595161404541936 0    531935 0      C-13-H3C(O)CH3
  676086.7848  0.0086 -5.1709 3  689.7593872  595161404541836 0    531935 0      C-13-H3C(O)CH3
  676086.7848  0.0086 -3.8021 3  689.7593872  595161404541836 0    531835 0      C-13-H3C(O)CH3
  676086.7848  0.0086 -5.1709 3  689.7593872  595161404541936 0    531835 0      C-13-H3C(O)CH3
  676096.8578  0.1557 -6.1034 3 1250.2068A64  595161404664819 0    654916 0      C-13-H3C(O)CH3
  676096.8704  0.1557 -6.1034 3 1250.2068A64  595161404664818 0    654917 0      C-13-H3C(O)CH3
  676125.1751  0.0114 -3.8131 3  689.7439872  595161404541936 1    531835 1      C-13-H3C(O)CH3
  676125.1751  0.0114 -4.3034 3  689.7439872  595161404541936 1    531935 1      C-13-H3C(O)CH3
  676125.1751  0.0114 -4.9717 3  689.7439872  595161404541836 1    531835 1      C-13-H3C(O)CH3
  676125.1751  0.0114 -3.9403 3  689.7439872  595161404541836 1    531935 1      C-13-H3C(O)CH3
  676127.4285  0.0116 -4.1526 3  689.7434872  595161404541936 2    531835 2      C-13-H3C(O)CH3
  676127.4285  0.0116 -4.5646 3  689.7434872  595161404541936 2    531935 2      C-13-H3C(O)CH3
  676127.4285  0.0116 -4.0264 3  689.7434872  595161404541836 2    531835 2      C-13-H3C(O)CH3
  676127.4285  0.0116 -3.8626 3  689.7434872  595161404541836 2    531935 2      C-13-H3C(O)CH3
  676135.9993  0.0107 -5.2958 3  171.6777424  595161404261610 1    251313 1      C-13-H3C(O)CH3
  676165.8712  0.0129 -4.9365 3  689.7281436  595161404541936 3    531935 3      C-13-H3C(O)CH3
  676165.8712  0.0129 -4.9365 3  689.7281436  595161404541836 3    531835 3      C-13-H3C(O)CH3
  676165.8712  0.0129 -4.1508 3  689.7281436  595161404541836 3    531935 3      C-13-H3C(O)CH3
  676165.8712  0.0129 -4.1508 3  689.7281436  595161404541936 3    531835 3      C-13-H3C(O)CH3
  676165.9302  0.0129 -4.0893 3  689.7280436  595161404541836 4    531835 4      C-13-H3C(O)CH3
  676165.9302  0.0129 -6.0787 3  689.7280436  595161404541836 4    531935 4      C-13-H3C(O)CH3
  676165.9302  0.0129 -6.0787 3  689.7280436  595161404541936 4    531835 4      C-13-H3C(O)CH3
  676165.9302  0.0129 -4.0893 3  689.7280436  595161404541936 4    531935 4      C-13-H3C(O)CH3
  676211.7535  0.1579 -6.1035 3 1250.2534A64  595161404664818 2    654916 2      C-13-H3C(O)CH3
  676328.2783  0.1613 -6.1033 3 1250.2470A64  595161404664818 1    654916 1      C-13-H3C(O)CH3
  676348.8650  0.0675 -4.1558 3  594.8192760  595161404472720 2    462819 2      C-13-H3C(O)CH3
  676358.0996  0.3973 -6.1710 3 1651.8391E80  595161404921380 1    921281 1      C-13-H3C(O)CH3
  676358.0996  0.3973 -6.1710 3 1651.8391E80  595161404921280 1    921181 1      C-13-H3C(O)CH3
  676361.8124  0.4037 -6.2295 3 1651.8389E80  595161404921380 2    921181 2      C-13-H3C(O)CH3
  676364.8332  0.0132 -5.1581 3  196.2540440  5951614042720 7 1    2617 9 1      C-13-H3C(O)CH3
  676371.1802  0.1452 -6.1033 3 1250.2056A64  595161404664819 1    654917 1      C-13-H3C(O)CH3
  676383.3409  0.0042 -3.1855 3  370.3931568 -5951614043531 5 2    3430 5 2      C-13-H3C(O)CH3
  676389.6513  0.1400 -6.1035 3 1250.2094A64  595161404664819 2    654917 2      C-13-H3C(O)CH3
  676393.5996  0.0042 -3.1855 3  370.4361568 -5951614043531 4 0    3430 5 0      C-13-H3C(O)CH3
  676393.5996  0.0042 -3.1855 3  370.4361568 -5951614043531 5 0    3430 4 0      C-13-H3C(O)CH3
  676406.6890  0.0058 -3.4865 3  370.3326284  5951614043531 5 4    3430 5 4      C-13-H3C(O)CH3
  676413.3036  0.0185 -5.4245 3  196.2451220  5951614042720 7 4    2617 9 4      C-13-H3C(O)CH3
  676416.2267  0.0044 -3.1854 3  370.3757568 -5951614043531 5 1    3430 5 1      C-13-H3C(O)CH3
  676461.9272  0.0108 -5.1664 3  183.2506424  5951614042620 7 1    2517 9 1      C-13-H3C(O)CH3
  676472.1884  0.0159 -5.5715 3  183.2444212  5951614042620 7 3    2517 9 3      C-13-H3C(O)CH3
  676527.8746  0.0044 -3.1853 3  370.4018568 -5951614043531 4 2    3430 4 2      C-13-H3C(O)CH3
  676542.8335  0.0362 -4.1546 3  594.8219760  595161404472720 1    462819 1      C-13-H3C(O)CH3
  676546.4991  0.0105 -4.8897 3  196.2586440  5951614042720 8 0    2617 9 0      C-13-H3C(O)CH3
  676550.7801  0.0059 -3.4863 3  370.3415284  5951614043531 5 3    3430 5 3      C-13-H3C(O)CH3
  676590.3488  0.0058 -3.4862 3  370.3595284  5951614043531 4 3    3430 4 3      C-13-H3C(O)CH3
  676600.1688  0.0044 -3.1851 3  370.4024568 -5951614043531 4 1    3430 4 1      C-13-H3C(O)CH3
  676660.6482  0.0144 -5.1912 3  196.2486440  5951614042720 7 2    2617 9 2      C-13-H3C(O)CH3
  676714.5769  0.2693 -6.1759 3 1596.6437E64  595161404911280 0    911181 0      C-13-H3C(O)CH3
  676714.5769  0.2693 -6.1759 3 1596.6437E64  595161404911180 0    911081 0      C-13-H3C(O)CH3
  676718.4860  0.0180 -5.6696 3  183.2444212  5951614042620 6 3    2517 9 3      C-13-H3C(O)CH3
  676733.9741  0.0063 -3.4860 3  370.3682284  5951614043531 4 4    3430 4 4      C-13-H3C(O)CH3
  676736.6951  0.1606 -5.9266 3 1078.2172500  595161404624221 4    614318 4      C-13-H3C(O)CH3
  676758.5391  0.0088 -3.9975 3  784.4115564 -59516140470 170 4    69 069 4      C-13-H3C(O)CH3
  676758.5391  0.0088 -3.9643 3  784.4115564 -59516140470 170 3    69 169 3      C-13-H3C(O)CH3
  676758.5391  0.0088 -5.2520 3  784.4115564 -59516140470 070 3    69 169 3      C-13-H3C(O)CH3
  676758.5391  0.0088 -4.8669 3  784.4115564 -59516140470 070 4    69 069 4      C-13-H3C(O)CH3
  676758.6122  0.0088 -4.8669 3  784.4115564  59516140470 170 4    69 169 4      C-13-H3C(O)CH3
  676758.6122  0.0088 -3.9975 3  784.4115564  59516140470 070 4    69 169 4      C-13-H3C(O)CH3
  676758.6292  0.0088 -3.9643 3  784.4115564  59516140470 070 3    69 069 3      C-13-H3C(O)CH3
  676758.6292  0.0088 -5.2520 3  784.4115564  59516140470 170 3    69 069 3      C-13-H3C(O)CH3
  676761.7340  0.0144 -3.9387 3  784.3480B28  59516140470 070 1    69 069 1      C-13-H3C(O)CH3
  676761.7340  0.0144 -3.9418 3  784.3480B28  59516140470 170 1    69 069 1      C-13-H3C(O)CH3
  676761.7973  0.0144 -3.9429 3  784.3480B28 -59516140470 170 1    69 169 1      C-13-H3C(O)CH3
  676761.7973  0.0144 -3.9461 3  784.3480B28 -59516140470 070 1    69 169 1      C-13-H3C(O)CH3
  676761.7973  0.0151 -4.7751 3  784.3477B28 -59516140470 170 2    69 069 2      C-13-H3C(O)CH3
  676761.7973  0.0151 -4.7751 3  784.3477B28 -59516140470 070 2    69 169 2      C-13-H3C(O)CH3
  676761.9190  0.0151 -3.6745 3  784.3477B28  59516140470 070 2    69 069 2      C-13-H3C(O)CH3
  676761.9190  0.0151 -3.6745 3  784.3477B28  59516140470 170 2    69 169 2      C-13-H3C(O)CH3
  676765.0049  0.0104 -3.8216 3  784.2844B28  59516140470 070 0    69 169 0      C-13-H3C(O)CH3
  676765.0049  0.0104 -4.1099 3  784.2844B28  59516140470 170 0    69 169 0      C-13-H3C(O)CH3
  676765.0940  0.0104 -3.8216 3  784.2844B28 -59516140470 170 0    69 069 0      C-13-H3C(O)CH3
  676765.0940  0.0104 -4.1099 3  784.2844B28 -59516140470 070 0    69 069 0      C-13-H3C(O)CH3
  676789.7021  0.0122 -5.2096 3  183.2555424  5951614042620 7 2    2517 9 2      C-13-H3C(O)CH3
  676820.3952  0.0436 -4.1528 3  594.8328760  595161404472720 0    462819 0      C-13-H3C(O)CH3
  676847.2629  0.1687 -5.6313 3 1078.1701A00  595161404624221 2    614318 2      C-13-H3C(O)CH3
  676902.2403  0.3159 -6.1405 3 1596.6414E64  595161404911180 1    911081 1      C-13-H3C(O)CH3
  676902.2403  0.3159 -6.1405 3 1596.6414E64  595161404911280 1    911181 1      C-13-H3C(O)CH3
  676903.3519  0.3233 -6.1091 3 1596.6411E64  595161404911180 2    911181 2      C-13-H3C(O)CH3
  676903.3519  0.3233 -6.1091 3 1596.6411E64  595161404911280 2    911081 2      C-13-H3C(O)CH3
  676960.5862  0.3846 -6.2080 3  962.7287476  595161404593822 4    583919 4      C-13-H3C(O)CH3
  676970.5079  0.1799 -5.6601 3 1078.1660A00  595161404624221 1    614318 1      C-13-H3C(O)CH3
  676997.4721  0.0087 -3.9789 3  702.1965888  595161404551738 0    541737 0      C-13-H3C(O)CH3
  676997.4721  0.0087 -3.7838 3  702.1965888  595161404551838 0    541837 0      C-13-H3C(O)CH3
  676997.4721  0.0087 -5.7963 3  702.1965888  595161404551738 0    541837 0      C-13-H3C(O)CH3
  676997.4721  0.0087 -4.2136 3  702.1965888  595161404551838 0    541737 0      C-13-H3C(O)CH3
  677029.2125  0.0084 -4.8131 3  766.6539A16  59516140463 855 0    62 854 0      C-13-H3C(O)CH3
  677029.2125  0.0084 -4.8131 3  766.6539A16  59516140463 955 0    62 954 0      C-13-H3C(O)CH3
  677029.2125  0.0084 -3.7607 3  766.6539A16  59516140463 955 0    62 854 0      C-13-H3C(O)CH3
  677029.2125  0.0084 -3.7607 3  766.6539A16  59516140463 855 0    62 954 0      C-13-H3C(O)CH3
  677029.4886  0.0171 -6.2187 3  766.6228A16  59516140463 855 1    62 854 1      C-13-H3C(O)CH3
  677029.4886  0.0171 -6.2187 3  766.6228A16  59516140463 955 1    62 954 1      C-13-H3C(O)CH3
  677029.4886  0.0171 -3.7251 3  766.6228A16  59516140463 955 1    62 854 1      C-13-H3C(O)CH3
  677029.4886  0.0171 -3.7251 3  766.6228A16  59516140463 855 1    62 954 1      C-13-H3C(O)CH3
  677029.8860  0.0169 -4.6480 3  766.6226A16  59516140463 855 2    62 854 2      C-13-H3C(O)CH3
  677029.8860  0.0169 -3.7788 3  766.6226A16  59516140463 855 2    62 954 2      C-13-H3C(O)CH3
  677029.8860  0.0169 -4.6480 3  766.6226A16  59516140463 955 2    62 954 2      C-13-H3C(O)CH3
  677029.8860  0.0169 -3.7788 3  766.6226A16  59516140463 955 2    62 854 2      C-13-H3C(O)CH3
  677030.1377  0.0097 -6.2304 3  766.5915508  59516140463 955 4    62 854 4      C-13-H3C(O)CH3
  677030.1377  0.0097 -4.0274 3  766.5915508  59516140463 955 4    62 954 4      C-13-H3C(O)CH3
  677030.1377  0.0097 -6.2304 3  766.5915508  59516140463 855 4    62 954 4      C-13-H3C(O)CH3
  677030.1377  0.0097 -4.0274 3  766.5915508  59516140463 855 4    62 854 4      C-13-H3C(O)CH3
  677030.1732  0.0097 -5.7431 3  766.5915508  59516140463 955 3    62 854 3      C-13-H3C(O)CH3
  677030.1732  0.0097 -4.0331 3  766.5915508  59516140463 955 3    62 954 3      C-13-H3C(O)CH3
  677030.1732  0.0097 -5.7431 3  766.5915508  59516140463 855 3    62 954 3      C-13-H3C(O)CH3
  677030.1732  0.0097 -4.0331 3  766.5915508  59516140463 855 3    62 854 3      C-13-H3C(O)CH3
  677033.9881  0.0120 -4.0903 3  702.1801888  595161404551838 1    541837 1      C-13-H3C(O)CH3
  677033.9881  0.0120 -4.0710 3  702.1801888  595161404551838 1    541737 1      C-13-H3C(O)CH3
  677033.9881  0.0120 -4.0710 3  702.1801888  595161404551738 1    541837 1      C-13-H3C(O)CH3
  677033.9881  0.0120 -4.0903 3  702.1801888  595161404551738 1    541737 1      C-13-H3C(O)CH3
  677035.7598  0.0122 -3.8584 3  702.1797888  595161404551838 2    541837 2      C-13-H3C(O)CH3
  677035.7598  0.0122 -3.8584 3  702.1797888  595161404551738 2    541737 2      C-13-H3C(O)CH3
  677035.7598  0.0122 -4.5590 3  702.1797888  595161404551738 2    541837 2      C-13-H3C(O)CH3
  677035.7598  0.0122 -4.5590 3  702.1797888  595161404551838 2    541737 2      C-13-H3C(O)CH3
  677067.5402  0.1893 -5.6206 3 1078.1189A00  595161404624221 0    614318 0      C-13-H3C(O)CH3
  677072.3251  0.0131 -4.5405 3  702.1632444  595161404551838 3    541837 3      C-13-H3C(O)CH3
  677072.3251  0.0131 -4.5405 3  702.1632444  595161404551738 3    541737 3      C-13-H3C(O)CH3
  677072.3251  0.0131 -4.2654 3  702.1632444  595161404551738 3    541837 3      C-13-H3C(O)CH3
  677072.3251  0.0131 -4.2654 3  702.1632444  595161404551838 3    541737 3      C-13-H3C(O)CH3
  677072.3782  0.0131 -4.2337 3  702.1632444  595161404551838 4    541737 4      C-13-H3C(O)CH3
  677072.3782  0.0131 -4.6075 3  702.1632444  595161404551738 4    541737 4      C-13-H3C(O)CH3
  677072.3782  0.0131 -4.2337 3  702.1632444  595161404551738 4    541837 4      C-13-H3C(O)CH3
  677072.3782  0.0131 -4.6075 3  702.1632444  595161404551838 4    541837 4      C-13-H3C(O)CH3
  677105.5346  0.1525 -5.9569 3 1078.2068500  595161404624221 3    614319 3      C-13-H3C(O)CH3
  677113.8840  0.1896 -5.6206 3 1078.1189A00  595161404624220 0    614319 0      C-13-H3C(O)CH3
  677140.7511  0.1322 -5.9570 3 1078.2085500  595161404624220 3    614318 3      C-13-H3C(O)CH3
  677210.2354  0.0076 -3.9093 3  585.5142760  595161404472622 0    462521 0      C-13-H3C(O)CH3
  677231.4207  0.2104 -6.0864 3 1542.0279E48  595161404901080 0    901081 0      C-13-H3C(O)CH3
  677231.4207  0.2104 -6.0864 3 1542.0279E48  595161404901180 0    90 981 0      C-13-H3C(O)CH3
  677251.1786  0.1584 -5.6311 3 1078.1614A00  595161404624220 2    614319 2      C-13-H3C(O)CH3
  677287.4161  0.0080 -3.9095 3  585.4979760  595161404472622 1    462521 1      C-13-H3C(O)CH3
  677332.8928  0.0078 -3.9096 3  585.4933760  595161404472622 2    462521 2      C-13-H3C(O)CH3
  677358.5185  0.1900 -5.6598 3 1078.1557A00  595161404624220 1    614319 1      C-13-H3C(O)CH3
  677362.5147  0.2617 -5.7890 3  894.0930460  595161404573621 4    563719 4      C-13-H3C(O)CH3
  677409.8046  0.0080 -4.2108 3  585.4770380  595161404472622 4    462521 4      C-13-H3C(O)CH3
  677411.6451  0.0082 -4.2107 3  585.4770380  595161404472622 3    462521 3      C-13-H3C(O)CH3
  677436.3796  0.2371 -6.0537 3 1542.0173E48  595161404901080 2    90 981 2      C-13-H3C(O)CH3
  677436.3796  0.2371 -6.0537 3 1542.0173E48  595161404901180 2    901081 2      C-13-H3C(O)CH3
  677437.1443  0.2312 -6.0951 3 1542.0175E48  595161404901180 1    90 981 1      C-13-H3C(O)CH3
  677437.1443  0.2312 -6.0951 3 1542.0175E48  595161404901080 1    901081 1      C-13-H3C(O)CH3
  677511.1923  0.1460 -5.9262 3 1078.1982500  595161404624220 4    614319 4      C-13-H3C(O)CH3
  677596.5153  0.0096 -5.0194 3  183.2681424  5951614042620 6 0    2517 9 0      C-13-H3C(O)CH3
  677702.5742  0.2761 -5.6902 3  962.6800952  595161404593822 2    583919 2      C-13-H3C(O)CH3
  677718.7958  0.0149 -5.5495 3  183.2506424  5951614042620 6 1    2517 9 1      C-13-H3C(O)CH3
  677755.6361  0.1570 -5.9244 3 1487.9866E32  595161404891080 0    89 881 0      C-13-H3C(O)CH3
  677755.6361  0.1570 -5.9244 3 1487.9866E32  59516140489 980 0    89 981 0      C-13-H3C(O)CH3
  677784.6414  0.0119 -6.0953 3  206.2768228  595161404281910 4    271612 4      C-13-H3C(O)CH3
  677801.0319  0.0155 -5.4661 3  183.2555424  5951614042620 6 2    2517 9 2      C-13-H3C(O)CH3
  677841.7943  0.2017 -5.6881 3  962.7101476  595161404593822 3    583919 3      C-13-H3C(O)CH3
  677854.5193  0.0043 -3.2697 3  375.5597584 -5951614043629 8 1    3528 8 1      C-13-H3C(O)CH3
  677864.2294  0.0038 -3.2696 3  375.6037584 -5951614043629 8 0    3528 7 0      C-13-H3C(O)CH3
  677864.2294  0.0038 -3.2696 3  375.6037584 -5951614043629 7 0    3528 8 0      C-13-H3C(O)CH3
  677864.9875  0.0054 -3.5708 3  375.5332292  5951614043629 8 4    3528 8 4      C-13-H3C(O)CH3
  677873.9485  0.0042 -3.2697 3  375.5774584 -5951614043629 8 2    3528 8 2      C-13-H3C(O)CH3
  677883.6868  0.2035 -5.6572 3  962.6735952  595161404593822 1    583919 1      C-13-H3C(O)CH3
  677959.6694  0.0087 -3.7839 3  714.0693904  595161404561740 0    551639 0      C-13-H3C(O)CH3
  677959.6694  0.0087 -5.5153 3  714.0693904  595161404561740 0    551739 0      C-13-H3C(O)CH3
  677959.6694  0.0087 -5.4638 3  714.0693904  595161404561640 0    551739 0      C-13-H3C(O)CH3
  677959.6694  0.0087 -3.7849 3  714.0693904  595161404561640 0    551639 0      C-13-H3C(O)CH3
  677962.8176  0.1645 -6.0372 3 1487.9681E32  59516140489 980 2    89 981 2      C-13-H3C(O)CH3
  677962.8176  0.1645 -6.0372 3 1487.9681E32  595161404891080 2    89 881 2      C-13-H3C(O)CH3
  677964.5470  0.1643 -6.0104 3 1487.9683E32  59516140489 980 1    89 881 1      C-13-H3C(O)CH3
  677964.5470  0.1643 -6.0104 3 1487.9683E32  595161404891080 1    89 981 1      C-13-H3C(O)CH3
  677965.1127  0.0052 -3.5708 3  375.5409292  5951614043629 8 3    3528 8 3      C-13-H3C(O)CH3
  677973.7748  0.0041 -3.2697 3  375.5849584 -5951614043629 7 2    3528 7 2      C-13-H3C(O)CH3
  677994.0293  0.0127 -4.4659 3  714.0516904  595161404561740 1    551639 1      C-13-H3C(O)CH3
  677994.0293  0.0127 -3.8751 3  714.0516904  595161404561640 1    551639 1      C-13-H3C(O)CH3
  677994.0293  0.0127 -3.8751 3  714.0516904  595161404561740 1    551739 1      C-13-H3C(O)CH3
  677994.0293  0.0127 -4.4659 3  714.0516904  595161404561640 1    551739 1      C-13-H3C(O)CH3
  677995.4295  0.0127 -4.4211 3  714.0512904  595161404561740 2    551639 2      C-13-H3C(O)CH3
  677995.4295  0.0127 -3.8873 3  714.0512904  595161404561640 2    551639 2      C-13-H3C(O)CH3
  677995.4295  0.0127 -4.4211 3  714.0512904  595161404561640 2    551739 2      C-13-H3C(O)CH3
  677995.4295  0.0127 -3.8873 3  714.0512904  595161404561740 2    551739 2      C-13-H3C(O)CH3
  678019.0094  0.0087 -6.0880 3  206.2899456  595161404281910 1    271612 1      C-13-H3C(O)CH3
  678019.1406  0.0040 -3.2694 3  375.5716584 -5951614043629 7 1    3528 7 1      C-13-H3C(O)CH3
  678029.8354  0.0133 -5.0684 3  714.0335452  595161404561740 3    551739 3      C-13-H3C(O)CH3
  678029.8354  0.0133 -5.0684 3  714.0335452  595161404561640 3    551639 3      C-13-H3C(O)CH3
  678029.8354  0.0133 -4.1236 3  714.0335452  595161404561640 3    551739 3      C-13-H3C(O)CH3
  678029.8354  0.0133 -4.1236 3  714.0335452  595161404561740 3    551639 3      C-13-H3C(O)CH3
  678029.8819  0.0133 -4.1254 3  714.0335452  595161404561740 4    551739 4      C-13-H3C(O)CH3
  678029.8819  0.0133 -5.0530 3  714.0335452  595161404561740 4    551639 4      C-13-H3C(O)CH3
  678029.8819  0.0133 -5.0530 3  714.0335452  595161404561640 4    551739 4      C-13-H3C(O)CH3
  678029.8819  0.0133 -4.1254 3  714.0335452  595161404561640 4    551639 4      C-13-H3C(O)CH3
  678030.0547  0.0051 -3.5705 3  375.5452292  5951614043629 7 3    3528 7 3      C-13-H3C(O)CH3
  678042.0752  0.2211 -5.7532 3  928.0708468  595161404583721 4    573819 4      C-13-H3C(O)CH3
  678070.9473  0.0380 -6.2392 3  382.7081600  595161404372711 2    362610 2      C-13-H3C(O)CH3
  678094.8708  0.0238 -6.0230 3  183.2323212  5951614042620 6 4    2517 9 4      C-13-H3C(O)CH3
  678118.2168  0.0042 -5.8969 3  392.1593616  595161404382514 1    372414 1      C-13-H3C(O)CH3
  678129.2708  0.0054 -3.5705 3  375.5529292  5951614043629 7 4    3528 7 4      C-13-H3C(O)CH3
  678145.8672  0.0056 -5.0689 3  392.1388308  595161404382514 4    372414 4      C-13-H3C(O)CH3
  678155.6648  0.0047 -5.0037 3  392.1602616  595161404382514 2    372414 2      C-13-H3C(O)CH3
  678157.3780  0.0090 -4.3610 3  773.5073516  59516140464 857 4    63 856 4      C-13-H3C(O)CH3
  678157.3780  0.0090 -4.2844 3  773.5073516  59516140464 857 4    63 756 4      C-13-H3C(O)CH3
  678157.3780  0.0090 -4.2844 3  773.5073516  59516140464 757 4    63 856 4      C-13-H3C(O)CH3
  678157.3780  0.0090 -4.3610 3  773.5073516  59516140464 757 4    63 756 4      C-13-H3C(O)CH3
  678157.4220  0.0090 -4.4739 3  773.5073516  59516140464 757 3    63 756 3      C-13-H3C(O)CH3
  678157.4220  0.0090 -4.2081 3  773.5073516  59516140464 757 3    63 856 3      C-13-H3C(O)CH3
  678157.4220  0.0090 -4.4739 3  773.5073516  59516140464 857 3    63 856 3      C-13-H3C(O)CH3
  678157.4220  0.0090 -4.2081 3  773.5073516  59516140464 857 3    63 756 3      C-13-H3C(O)CH3
  678162.9515  0.0162 -3.8234 3  773.5386A32  59516140464 757 1    63 856 1      C-13-H3C(O)CH3
  678162.9515  0.0162 -4.3892 3  773.5386A32  59516140464 757 1    63 756 1      C-13-H3C(O)CH3
  678162.9515  0.0162 -3.8234 3  773.5386A32  59516140464 857 1    63 756 1      C-13-H3C(O)CH3
  678162.9515  0.0162 -4.3892 3  773.5386A32  59516140464 857 1    63 856 1      C-13-H3C(O)CH3
  678163.3215  0.0160 -4.3566 3  773.5384A32  59516140464 857 2    63 756 2      C-13-H3C(O)CH3
  678163.3215  0.0160 -3.8327 3  773.5384A32  59516140464 757 2    63 756 2      C-13-H3C(O)CH3
  678163.3215  0.0160 -4.3566 3  773.5384A32  59516140464 757 2    63 856 2      C-13-H3C(O)CH3
  678163.3215  0.0160 -3.8327 3  773.5384A32  59516140464 857 2    63 856 2      C-13-H3C(O)CH3
  678168.8444  0.0082 -3.8728 3  773.5696A32 -59516140464 757 0    63 856 0      C-13-H3C(O)CH3
  678168.8444  0.0082 -4.2446 3  773.5696A32 -59516140464 757 0    63 756 0      C-13-H3C(O)CH3
  678168.8444  0.0082 -3.8728 3  773.5696A32 -59516140464 857 0    63 756 0      C-13-H3C(O)CH3
  678168.8444  0.0082 -4.2446 3  773.5696A32 -59516140464 857 0    63 856 0      C-13-H3C(O)CH3
  678171.8680  0.1489 -6.2422 3 1487.9497716  59516140489 980 3    89 981 3      C-13-H3C(O)CH3
  678171.8680  0.1489 -6.2234 3 1487.9497716  595161404891080 3    89 881 3      C-13-H3C(O)CH3
  678172.0924  0.1490 -6.2209 3 1487.9497716  59516140489 980 4    89 981 4      C-13-H3C(O)CH3
  678172.0924  0.1490 -6.2209 3 1487.9497716  595161404891080 4    89 881 4      C-13-H3C(O)CH3
  678181.0938  0.2470 -5.6713 3  894.0472920  595161404573621 2    563719 2      C-13-H3C(O)CH3
  678212.3029  0.0047 -5.6779 3  392.1399308  595161404382514 3    372414 3      C-13-H3C(O)CH3
  678259.0725  0.0166 -3.8650 3  345.3516584  595161404362214 2    352115 2      C-13-H3C(O)CH3
  678261.0332  0.1615 -5.7458 3  962.6853476  595161404593822 4    583920 4      C-13-H3C(O)CH3
  678291.6941  0.0078 -4.6972 3  166.0091228  59516140428 920 4    27 621 4      C-13-H3C(O)CH3
  678291.6941  0.0078 -4.6972 3  166.0091228  59516140428 820 4    27 721 4      C-13-H3C(O)CH3
  678291.9493  0.0062 -4.6972 3  166.0090228  59516140428 820 3    27 721 3      C-13-H3C(O)CH3
  678291.9493  0.0062 -4.6972 3  166.0090228  59516140428 920 3    27 621 3      C-13-H3C(O)CH3
  678295.1600  0.1224 -6.0295 3 1434.5197E16  59516140488 880 0    88 781 0      C-13-H3C(O)CH3
  678295.1600  0.1224 -6.0295 3 1434.5197E16  59516140488 980 0    88 881 0      C-13-H3C(O)CH3
  678330.0337  0.0241 -5.4614 3  382.6894600  595161404372711 1    362610 1      C-13-H3C(O)CH3
  678374.3414  0.0188 -4.1664 3  345.3308292  595161404362214 4    352115 4      C-13-H3C(O)CH3
  678377.4360  0.1640 -5.7395 3  894.0400920  595161404573621 1    563719 1      C-13-H3C(O)CH3
  678382.5663  0.0195 -4.1664 3  345.3309292  595161404362214 3    352115 3      C-13-H3C(O)CH3
  678383.2004  0.0443 -6.0299 3  382.6772300  595161404372711 3    362610 3      C-13-H3C(O)CH3
  678405.1351  0.2636 -5.8217 3 1041.5467A00  595161404623627 0    613724 0      C-13-H3C(O)CH3
  678417.6375  0.1384 -5.3165 3  962.6269952  595161404593822 0    583919 0      C-13-H3C(O)CH3
  678427.8865  0.1362 -5.5550 3  962.6558952  595161404593822 2    583920 2      C-13-H3C(O)CH3
  678451.9857  0.0120 -3.8665 3  345.3778584  595161404362214 0    352115 0      C-13-H3C(O)CH3
  678482.4961  0.1385 -5.5808 3  962.6536952  595161404593822 1    583920 1      C-13-H3C(O)CH3
  678484.8536  0.1439 -5.9231 3 1434.4941E16  59516140488 980 2    88 881 2      C-13-H3C(O)CH3
  678484.8536  0.1439 -5.9231 3 1434.4941E16  59516140488 880 2    88 781 2      C-13-H3C(O)CH3
  678486.5550  0.1514 -6.0706 3 1434.4942E16  59516140488 980 1    88 781 1      C-13-H3C(O)CH3
  678486.5550  0.1514 -6.0706 3 1434.4942E16  59516140488 880 1    88 881 1      C-13-H3C(O)CH3
  678486.5550  0.1514 -6.2591 3 1434.4942E16  59516140488 980 1    88 881 1      C-13-H3C(O)CH3
  678486.5550  0.1514 -6.2591 3 1434.4942E16  59516140488 880 1    88 781 1      C-13-H3C(O)CH3
  678526.5153  0.0049 -3.3889 3  382.6828600 -595161404372711 1    362611 1      C-13-H3C(O)CH3
  678530.0821  0.0041 -3.3850 3  382.7140600 -595161404372711 0    362610 0      C-13-H3C(O)CH3
  678563.9991  0.0055 -3.6864 3  382.6599300  595161404372711 4    362611 4      C-13-H3C(O)CH3
  678567.7092  0.0131 -3.8669 3  345.3570584  595161404362214 1    352115 1      C-13-H3C(O)CH3
  678570.5413  0.0041 -3.3850 3  382.7131600  595161404372710 0    362611 0      C-13-H3C(O)CH3
  678589.1240  0.0046 -3.3854 3  382.6908600 -595161404372711 2    362611 2      C-13-H3C(O)CH3
  678604.1778  0.1949 -5.4698 3  894.0462460  595161404573621 3    563720 3      C-13-H3C(O)CH3
  678623.8797  0.2207 -5.5850 3  928.0227936  595161404583721 2    573819 2      C-13-H3C(O)CH3
  678632.3207  0.2135 -5.4952 3  888.3757460  595161404573523 4    563620 4      C-13-H3C(O)CH3
  678642.8860  0.0056 -4.3956 3  165.9968456  59516140428 920 2    27 621 2      C-13-H3C(O)CH3
  678642.8860  0.0056 -4.3956 3  165.9968456  59516140428 820 2    27 721 2      C-13-H3C(O)CH3
  678643.9741  0.0053 -3.6883 3  382.6772300  595161404372710 3    362610 3      C-13-H3C(O)CH3
  678654.1278  0.0058 -4.3956 3  165.9977456  59516140428 820 1    27 721 1      C-13-H3C(O)CH3
  678654.1278  0.0058 -4.3956 3  165.9977456  59516140428 920 1    27 621 1      C-13-H3C(O)CH3
  678666.2849  0.0040 -3.3887 3  382.6894600 -595161404372710 1    362610 1      C-13-H3C(O)CH3
  678668.4153  0.0043 -3.3857 3  382.7081600 -595161404372710 2    362610 2      C-13-H3C(O)CH3
  678676.3321  0.1337 -6.2880 3 1434.4684708  59516140488 880 3    88 781 3      C-13-H3C(O)CH3
  678676.3321  0.1337 -6.2880 3 1434.4684708  59516140488 980 3    88 881 3      C-13-H3C(O)CH3
  678676.4514  0.1337 -6.1744 3 1434.4684708  59516140488 880 4    88 881 4      C-13-H3C(O)CH3
  678676.4514  0.1337 -6.1744 3 1434.4684708  59516140488 980 4    88 781 4      C-13-H3C(O)CH3
  678707.0154  0.0050 -3.6879 3  382.6664300  595161404372711 3    362611 3      C-13-H3C(O)CH3
  678786.8023  0.0047 -3.6865 3  382.6837300  595161404372710 4    362610 4      C-13-H3C(O)CH3
  678798.3385  0.1669 -5.6245 3  928.0157936  595161404583721 1    573819 1      C-13-H3C(O)CH3
  678828.4974  0.1728 -5.5654 3  928.0366468  595161404583721 3    573820 3      C-13-H3C(O)CH3
  678859.3351  0.1179 -5.9159 3 1381.6268E00  59516140487 880 0    87 681 0      C-13-H3C(O)CH3
  678859.3351  0.1179 -5.9159 3 1381.6268E00  59516140487 780 0    87 781 0      C-13-H3C(O)CH3
  678862.8229  0.0245 -5.4608 3  382.6828600  595161404372710 1    362611 1      C-13-H3C(O)CH3
  678960.8133  0.0086 -3.7732 3  725.3836920  595161404571642 0    561641 0      C-13-H3C(O)CH3
  678960.8133  0.0086 -3.7732 3  725.3836920  595161404571542 0    561541 0      C-13-H3C(O)CH3
  678967.7890  0.0450 -6.0294 3  382.6664300  595161404372710 3    362611 3      C-13-H3C(O)CH3
  678992.6926  0.0134 -3.9792 3  725.3644920  595161404571642 1    561541 1      C-13-H3C(O)CH3
  678992.6926  0.0134 -3.9792 3  725.3644920  595161404571542 1    561641 1      C-13-H3C(O)CH3
  678992.6926  0.0134 -4.1950 3  725.3644920  595161404571542 1    561541 1      C-13-H3C(O)CH3
  678992.6926  0.0134 -4.1950 3  725.3644920  595161404571642 1    561641 1      C-13-H3C(O)CH3
  678993.8032  0.0134 -4.9770 3  725.3641920  595161404571642 2    561641 2      C-13-H3C(O)CH3
  678993.8032  0.0134 -4.9770 3  725.3641920  595161404571542 2    561541 2      C-13-H3C(O)CH3
  678993.8032  0.0134 -3.8008 3  725.3641920  595161404571542 2    561641 2      C-13-H3C(O)CH3
  678993.8032  0.0134 -3.8008 3  725.3641920  595161404571642 2    561541 2      C-13-H3C(O)CH3
  679004.3490  0.0056 -4.3949 3  165.9854456  59516140428 820 0    27 721 0      C-13-H3C(O)CH3
  679004.3490  0.0056 -4.3949 3  165.9854456  59516140428 920 0    27 621 0      C-13-H3C(O)CH3
  679004.9508  0.1831 -5.8019 3 1381.5957E00  59516140487 880 2    87 681 2      C-13-H3C(O)CH3
  679004.9508  0.1831 -5.8019 3 1381.5957E00  59516140487 780 2    87 781 2      C-13-H3C(O)CH3
  679005.6956  0.1918 -5.8602 3 1381.5958E00  59516140487 780 1    87 781 1      C-13-H3C(O)CH3
  679005.6956  0.1918 -5.8602 3 1381.5958E00  59516140487 880 1    87 681 1      C-13-H3C(O)CH3
  679025.7250  0.0133 -5.8939 3  725.3448460  595161404571542 3    561641 3      C-13-H3C(O)CH3
  679025.7250  0.0133 -4.0804 3  725.3448460  595161404571542 3    561541 3      C-13-H3C(O)CH3
  679025.7250  0.0133 -5.8939 3  725.3448460  595161404571642 3    561541 3      C-13-H3C(O)CH3
  679025.7250  0.0133 -4.0804 3  725.3448460  595161404571642 3    561641 3      C-13-H3C(O)CH3
  679025.7641  0.0133 -4.6445 3  725.3448460  595161404571642 4    561641 4      C-13-H3C(O)CH3
  679025.7641  0.0133 -4.2096 3  725.3448460  595161404571542 4    561641 4      C-13-H3C(O)CH3
  679025.7641  0.0133 -4.6445 3  725.3448460  595161404571542 4    561541 4      C-13-H3C(O)CH3
  679025.7641  0.0133 -4.2096 3  725.3448460  595161404571642 4    561541 4      C-13-H3C(O)CH3
  679031.8845  0.3505 -5.8149 3 1041.5364A00  595161404623627 2    613724 2      C-13-H3C(O)CH3
  679041.2330  0.1214 -5.4504 3  888.3634460  595161404573523 3    563620 3      C-13-H3C(O)CH3
  679071.0913  0.2447 -5.8140 3 1041.5332A00  595161404623627 1    613724 1      C-13-H3C(O)CH3
  679123.1040  0.2917 -5.8742 3  860.8010452  595161404563521 4    553619 4      C-13-H3C(O)CH3
  679151.2736  0.1252 -6.1899 3 1381.5645700  59516140487 880 4    87 681 4      C-13-H3C(O)CH3
  679151.2736  0.1252 -6.1899 3 1381.5645700  59516140487 780 4    87 781 4      C-13-H3C(O)CH3
  679151.3366  0.1251 -6.1129 3 1381.5646700  59516140487 880 3    87 781 3      C-13-H3C(O)CH3
  679151.3366  0.1251 -6.1129 3 1381.5646700  59516140487 780 3    87 681 3      C-13-H3C(O)CH3
  679186.6475  0.0392 -6.2381 3  382.6908600  595161404372710 2    362611 2      C-13-H3C(O)CH3
  679226.5836  0.1561 -5.1644 3  888.3448920  595161404573523 2    563620 2      C-13-H3C(O)CH3
  679270.6152  0.1322 -4.7469 3  650.6572396  595161404492920 3    483019 3      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.3843 3  779.8866524 -59516140465 759 3    64 658 3      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.3843 3  779.8866524 -59516140465 659 3    64 758 3      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.4696 3  779.8866524 -59516140465 759 4    64 658 4      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.2025 3  779.8866524 -59516140465 759 4    64 758 4      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.2567 3  779.8866524 -59516140465 659 3    64 658 3      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.2025 3  779.8866524 -59516140465 659 4    64 658 4      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.4696 3  779.8866524 -59516140465 659 4    64 758 4      C-13-H3C(O)CH3
  679293.9319  0.0080 -4.2567 3  779.8866524 -59516140465 759 3    64 758 3      C-13-H3C(O)CH3
  679306.3463  0.0144 -3.7360 3  779.9165A48 -59516140465 759 1    64 658 1      C-13-H3C(O)CH3
  679306.3463  0.0141 -4.6325 3  779.9163A48 -59516140465 759 2    64 758 2      C-13-H3C(O)CH3
  679306.3463  0.0141 -3.7696 3  779.9163A48 -59516140465 759 2    64 658 2      C-13-H3C(O)CH3
  679306.3463  0.0144 -5.0168 3  779.9165A48 -59516140465 759 1    64 758 1      C-13-H3C(O)CH3
  679306.3463  0.0141 -4.6325 3  779.9163A48 -59516140465 659 2    64 658 2      C-13-H3C(O)CH3
  679306.3463  0.0141 -3.7696 3  779.9163A48 -59516140465 659 2    64 758 2      C-13-H3C(O)CH3
  679306.3463  0.0144 -5.0168 3  779.9165A48 -59516140465 659 1    64 658 1      C-13-H3C(O)CH3
  679306.3463  0.0144 -3.7360 3  779.9165A48 -59516140465 659 1    64 758 1      C-13-H3C(O)CH3
  679316.9920  0.0957 -5.1610 3  888.3418920  595161404573523 1    563620 1      C-13-H3C(O)CH3
  679318.1236  0.0076 -5.8927 3  779.9462A48 -59516140465 659 0    64 758 0      C-13-H3C(O)CH3
  679318.1236  0.0076 -3.7167 3  779.9462A48 -59516140465 659 0    64 658 0      C-13-H3C(O)CH3
  679318.1236  0.0076 -4.4408 3  779.9462A48 -59516140465 759 0    64 658 0      C-13-H3C(O)CH3
  679318.1236  0.0076 -3.8040 3  779.9462A48 -59516140465 759 0    64 758 0      C-13-H3C(O)CH3
  679371.2677  0.1260 -4.7488 3  650.6543396  595161404492920 4    483019 4      C-13-H3C(O)CH3
  679459.0111  0.1322 -5.9719 3 1329.3070D84  59516140486 680 0    86 681 0      C-13-H3C(O)CH3
  679459.0111  0.1322 -5.9719 3 1329.3070D84  59516140486 780 0    86 581 0      C-13-H3C(O)CH3
  679459.0111  0.1322 -6.1598 3 1329.3070D84  59516140486 680 0    86 581 0      C-13-H3C(O)CH3
  679459.0111  0.1322 -6.1598 3 1329.3070D84  59516140486 780 0    86 681 0      C-13-H3C(O)CH3
  679471.7185  0.1518 -5.3175 3  894.0042920  595161404573621 2    563720 2      C-13-H3C(O)CH3
  679502.7604  0.1560 -5.7339 3  894.0216460  595161404573621 4    563720 4      C-13-H3C(O)CH3
  679506.6767  0.1428 -5.2903 3  894.0023920  595161404573621 1    563720 1      C-13-H3C(O)CH3
  679524.9665  0.2390 -5.8325 3 1329.2735D84  59516140486 680 1    86 581 1      C-13-H3C(O)CH3
  679524.9665  0.2390 -5.8325 3 1329.2735D84  59516140486 780 1    86 681 1      C-13-H3C(O)CH3
  679525.8544  0.2329 -5.7766 3 1329.2734D84  59516140486 780 2    86 681 2      C-13-H3C(O)CH3
  679525.8544  0.2329 -5.7766 3 1329.2734D84  59516140486 680 2    86 581 2      C-13-H3C(O)CH3
  679591.4582  0.1209 -6.1952 3 1329.2398692  59516140486 780 4    86 581 4      C-13-H3C(O)CH3
  679591.4582  0.1209 -6.1952 3 1329.2398692  59516140486 680 4    86 681 4      C-13-H3C(O)CH3
  679591.7833  0.1207 -6.0735 3 1329.2398692  59516140486 680 3    86 681 3      C-13-H3C(O)CH3
  679591.7833  0.1207 -6.0735 3 1329.2398692  59516140486 780 3    86 581 3      C-13-H3C(O)CH3
  679594.5669  0.1433 -5.4930 3  927.9903936  595161404583721 2    573820 2      C-13-H3C(O)CH3
  679620.2784  0.1544 -5.4632 3  927.9883936  595161404583721 1    573820 1      C-13-H3C(O)CH3
  679677.7004  0.3250 -6.1084 3 1041.5236500  595161404623627 4    613724 4      C-13-H3C(O)CH3
  679695.3391  0.1428 -5.2354 3  927.9612936  595161404583721 0    573820 0      C-13-H3C(O)CH3
  679701.5435  0.3363 -6.1081 3 1041.5228500  595161404623627 3    613724 3      C-13-H3C(O)CH3
  679714.9718  0.0766 -5.1512 3  888.3169920  595161404573523 0    563620 0      C-13-H3C(O)CH3
  679721.9868  0.0096 -6.2460 3  128.6706188  595161404231410 4    22 913 4      C-13-H3C(O)CH3
  679734.6989  0.0097 -5.0706 3  137.2740220  59516140427 522 3    26 323 3      C-13-H3C(O)CH3
  679734.6989  0.0097 -5.0706 3  137.2740220  59516140427 622 3    26 423 3      C-13-H3C(O)CH3
  679734.7650  0.0115 -5.0818 3  137.2741220  59516140427 522 4    26 423 4      C-13-H3C(O)CH3
  679734.7650  0.0115 -5.0818 3  137.2741220  59516140427 622 4    26 323 4      C-13-H3C(O)CH3
  679742.6481  0.0074 -6.2460 3  128.6706188  595161404231410 3    22 913 3      C-13-H3C(O)CH3
  679749.7583  0.1429 -5.1581 3  893.9788920  595161404573621 0    563720 0      C-13-H3C(O)CH3
  679753.8003  0.1753 -5.9427 3  928.0137468  595161404583721 4    573820 4      C-13-H3C(O)CH3
  679905.3024  0.1360 -4.4439 3  650.6590792  595161404492920 2    483019 2      C-13-H3C(O)CH3
  679974.7080  0.0249 -6.2786 3  702.4899840  595161404522527 0    522230 0      C-13-H3C(O)CH3
  679975.5021  0.0249 -6.2786 3  702.4899840  595161404522627 0    522330 0      C-13-H3C(O)CH3
  679991.1425  0.1165 -6.0725 3 1277.4959684  59516140485 580 4    85 481 4      C-13-H3C(O)CH3
  679991.1425  0.1165 -6.0725 3 1277.4959684  59516140485 680 4    85 581 4      C-13-H3C(O)CH3
  679991.7768  0.1164 -6.2145 3 1277.4959684  59516140485 580 3    85 481 3      C-13-H3C(O)CH3
  679991.7768  0.1164 -6.2145 3 1277.4959684  59516140485 680 3    85 581 3      C-13-H3C(O)CH3
  679992.2634  0.0086 -3.7700 3  736.1440936  595161404581444 0    571443 0      C-13-H3C(O)CH3
  679992.2634  0.0086 -3.7700 3  736.1440936  595161404581544 0    571543 0      C-13-H3C(O)CH3
  679998.7382  0.0073 -5.9436 3  128.6581376  595161404231410 2    22 913 2      C-13-H3C(O)CH3
  680021.2882  0.0142 -3.8150 3  736.1232936  595161404581444 1    571543 1      C-13-H3C(O)CH3
  680021.2882  0.0142 -3.8150 3  736.1232936  595161404581544 1    571443 1      C-13-H3C(O)CH3
  680021.2882  0.0142 -4.7760 3  736.1232936  595161404581444 1    571443 1      C-13-H3C(O)CH3
  680021.2882  0.0142 -4.7760 3  736.1232936  595161404581544 1    571543 1      C-13-H3C(O)CH3
  680022.1728  0.0142 -4.0025 3  736.1228936  595161404581444 2    571443 2      C-13-H3C(O)CH3
  680022.1728  0.0142 -4.1521 3  736.1228936  595161404581444 2    571543 2      C-13-H3C(O)CH3
  680022.1728  0.0142 -4.0025 3  736.1228936  595161404581544 2    571543 2      C-13-H3C(O)CH3
  680022.1728  0.0142 -4.1521 3  736.1228936  595161404581544 2    571443 2      C-13-H3C(O)CH3
  680039.9325  0.0072 -5.9436 3  128.6604376  595161404231410 1    22 913 1      C-13-H3C(O)CH3
  680047.8842  0.2620 -6.0486 3 1277.5277D68  59516140485 580 1    85 581 1      C-13-H3C(O)CH3
  680047.8842  0.2620 -6.0016 3 1277.5277D68  59516140485 580 1    85 481 1      C-13-H3C(O)CH3
  680047.8842  0.2620 -6.0016 3 1277.5277D68  59516140485 680 1    85 581 1      C-13-H3C(O)CH3
  680047.8842  0.2620 -6.0486 3 1277.5277D68  59516140485 680 1    85 481 1      C-13-H3C(O)CH3
  680050.5939  0.2592 -5.7317 3 1277.5274D68  59516140485 680 2    85 581 2      C-13-H3C(O)CH3
  680050.5939  0.2592 -5.7317 3 1277.5274D68  59516140485 580 2    85 481 2      C-13-H3C(O)CH3
  680051.2363  0.0132 -4.1417 3  736.1019468  595161404581444 3    571443 3      C-13-H3C(O)CH3
  680051.2363  0.0132 -4.8931 3  736.1019468  595161404581444 3    571543 3      C-13-H3C(O)CH3
  680051.2363  0.0132 -4.1417 3  736.1019468  595161404581544 3    571543 3      C-13-H3C(O)CH3
  680051.2363  0.0132 -4.8931 3  736.1019468  595161404581544 3    571443 3      C-13-H3C(O)CH3
  680051.2672  0.0132 -4.2262 3  736.1019468  595161404581444 4    571543 4      C-13-H3C(O)CH3
  680051.2672  0.0132 -4.5927 3  736.1019468  595161404581444 4    571443 4      C-13-H3C(O)CH3
  680051.2672  0.0132 -4.5927 3  736.1019468  595161404581544 4    571543 4      C-13-H3C(O)CH3
  680051.2672  0.0132 -4.2262 3  736.1019468  595161404581544 4    571443 4      C-13-H3C(O)CH3
  680082.0627  0.0378 -6.2784 3  702.4803840  595161404522527 2    522230 2      C-13-H3C(O)CH3
  680082.9378  0.0378 -6.2784 3  702.4803840  595161404522627 2    522330 2      C-13-H3C(O)CH3
  680087.0212  0.0279 -6.2775 3  702.4809840  595161404522527 1    522230 1      C-13-H3C(O)CH3
  680087.8942  0.0279 -6.2775 3  702.4809840  595161404522627 1    522330 1      C-13-H3C(O)CH3
  680106.6222  0.1427 -5.8238 3 1277.5591D68  59516140485 680 0    85 481 0      C-13-H3C(O)CH3
  680106.6222  0.1427 -5.8245 3 1277.5591D68  59516140485 580 0    85 581 0      C-13-H3C(O)CH3
  680119.9979  0.2663 -5.8542 3  860.7603904  595161404563521 2    553619 2      C-13-H3C(O)CH3
  680214.9079  0.0739 -4.4423 3  650.6593792  595161404492920 1    483019 1      C-13-H3C(O)CH3
  680256.0957  0.0105 -4.7819 3  137.2382440  59516140427 522 2    26 323 2      C-13-H3C(O)CH3
  680256.0957  0.0105 -6.1793 3  137.2382440  59516140427 522 2    26 423 2      C-13-H3C(O)CH3
  680256.0957  0.0105 -4.7819 3  137.2382440  59516140427 622 2    26 423 2      C-13-H3C(O)CH3
  680256.0957  0.0105 -6.1793 3  137.2382440  59516140427 622 2    26 323 2      C-13-H3C(O)CH3
  680261.8937  0.0109 -5.2977 3  137.2387440  59516140427 522 1    26 323 1      C-13-H3C(O)CH3
  680261.8937  0.0109 -4.9158 3  137.2387440  59516140427 622 1    26 323 1      C-13-H3C(O)CH3
  680261.8937  0.0109 -4.9158 3  137.2387440  59516140427 522 1    26 423 1      C-13-H3C(O)CH3
  680261.8937  0.0109 -5.2977 3  137.2387440  59516140427 622 1    26 423 1      C-13-H3C(O)CH3
  680305.1780  0.0075 -5.9419 3  128.6480376  595161404231410 0    22 913 0      C-13-H3C(O)CH3
  680311.0500  0.0171 -6.1907 3  107.9166212  59516140426 324 3    25 025 3      C-13-H3C(O)CH3
  680311.0500  0.0171 -6.1907 3  107.9166212  59516140426 224 3    25 125 3      C-13-H3C(O)CH3
  680311.9146  0.0189 -5.9912 3  107.9166212  59516140426 224 4    25 125 4      C-13-H3C(O)CH3
  680311.9146  0.0189 -5.9912 3  107.9166212  59516140426 324 4    25 025 4      C-13-H3C(O)CH3
  680333.2178  0.0075 -5.0296 3  206.2769228  5951614042819 9 3    271612 3      C-13-H3C(O)CH3
  680334.8160  0.1636 -5.9661 3  860.7536904  595161404563521 1    553619 1      C-13-H3C(O)CH3
  680343.7082  0.1090 -6.2402 3 1226.3350676  59516140484 580 4    84 381 4      C-13-H3C(O)CH3
  680343.7082  0.1090 -6.2008 3 1226.3350676  59516140484 480 4    84 481 4      C-13-H3C(O)CH3
  680344.5971  0.1090 -6.2015 3 1226.3350676  59516140484 580 3    84 381 3      C-13-H3C(O)CH3
  680344.5971  0.1090 -6.2015 3 1226.3350676  59516140484 480 3    84 481 3      C-13-H3C(O)CH3
  680375.8007  0.0960 -4.5943 3  622.4247388  595161404482820 3    472919 3      C-13-H3C(O)CH3
  680432.4269  0.0942 -4.5948 3  622.4232388  595161404482820 4    472919 4      C-13-H3C(O)CH3
  680440.0596  0.0069 -4.1554 3  785.7308532 -59516140466 661 3    65 660 3      C-13-H3C(O)CH3
  680440.0596  0.0069 -4.0456 3  785.7308532 -59516140466 661 4    65 660 4      C-13-H3C(O)CH3
  680440.0596  0.0069 -4.5525 3  785.7308532 -59516140466 561 3    65 660 3      C-13-H3C(O)CH3
  680440.0596  0.0069 -5.1020 3  785.7308532 -59516140466 561 4    65 660 4      C-13-H3C(O)CH3
  680440.4062  0.0069 -4.0456 3  785.7308532  59516140466 561 4    65 560 4      C-13-H3C(O)CH3
  680440.4062  0.0069 -5.1020 3  785.7308532  59516140466 661 4    65 560 4      C-13-H3C(O)CH3
  680440.4548  0.0069 -4.5525 3  785.7308532  59516140466 661 3    65 560 3      C-13-H3C(O)CH3
  680440.4548  0.0069 -4.1554 3  785.7308532  59516140466 561 3    65 560 3      C-13-H3C(O)CH3
  680458.2831  0.0116 -3.7409 3  785.7574A64  59516140466 661 1    65 660 1      C-13-H3C(O)CH3
  680458.2831  0.0116 -4.8457 3  785.7574A64  59516140466 561 1    65 660 1      C-13-H3C(O)CH3
  680458.4501  0.0114 -5.3495 3  785.7572A64 -59516140466 661 2    65 560 2      C-13-H3C(O)CH3
  680458.4501  0.0116 -3.7409 3  785.7574A64 -59516140466 561 1    65 560 1      C-13-H3C(O)CH3
  680458.4501  0.0114 -3.7181 3  785.7572A64 -59516140466 561 2    65 560 2      C-13-H3C(O)CH3
  680458.4501  0.0116 -4.8457 3  785.7574A64 -59516140466 661 1    65 560 1      C-13-H3C(O)CH3
  680458.5552  0.0114 -3.7181 3  785.7572A64  59516140466 661 2    65 660 2      C-13-H3C(O)CH3
  680458.5552  0.0114 -5.3495 3  785.7572A64  59516140466 561 2    65 660 2      C-13-H3C(O)CH3
  680476.2801  0.0066 -3.8390 3  785.7837A64 -59516140466 661 0    65 660 0      C-13-H3C(O)CH3
  680476.2801  0.0066 -3.8390 3  785.7837A64 -59516140466 561 0    65 560 0      C-13-H3C(O)CH3
  680476.3741  0.0066 -4.2929 3  785.7837A64  59516140466 661 0    65 560 0      C-13-H3C(O)CH3
  680476.3741  0.0066 -4.2929 3  785.7837A64  59516140466 561 0    65 660 0      C-13-H3C(O)CH3
  680516.0397  0.0088 -5.0624 3  206.2768228  5951614042819 9 4    271612 4      C-13-H3C(O)CH3
  680518.3595  0.0075 -4.7421 3  206.2899456  5951614042819 9 1    271612 1      C-13-H3C(O)CH3
  680569.1087  0.1843 -5.7426 3  962.7287476  595161404593821 4    583919 4      C-13-H3C(O)CH3
  680578.5294  0.2435 -5.7295 3 1226.3585D52  59516140484 580 1    84 481 1      C-13-H3C(O)CH3
  680578.5294  0.2435 -5.7295 3 1226.3585D52  59516140484 480 1    84 381 1      C-13-H3C(O)CH3
  680582.4790  0.2433 -5.7685 3 1226.3581D52  59516140484 480 2    84 481 2      C-13-H3C(O)CH3
  680582.4790  0.2433 -5.7685 3 1226.3581D52  59516140484 580 2    84 381 2      C-13-H3C(O)CH3
  680638.5170  0.0067 -3.1019 3  373.5975552 -5951614043434 1 0    3333 0 0      C-13-H3C(O)CH3
  680638.5170  0.0067 -3.1019 3  373.5975552 -5951614043434 0 0    3333 1 0      C-13-H3C(O)CH3
  680641.8269  0.1021 -6.2348 3 1175.7592668  59516140483 480 4    83 381 4      C-13-H3C(O)CH3
  680641.8269  0.1021 -6.2348 3 1175.7592668  59516140483 380 4    83 281 4      C-13-H3C(O)CH3
  680642.6892  0.1022 -6.0311 3 1175.7591668  59516140483 480 3    83 281 3      C-13-H3C(O)CH3
  680642.6892  0.1022 -6.0311 3 1175.7591668  59516140483 380 3    83 381 3      C-13-H3C(O)CH3
  680653.3555  0.0072 -4.7287 3  206.2849456  5951614042819 9 2    271612 2      C-13-H3C(O)CH3
  680654.6476  0.0072 -3.1017 3  373.5201552 -5951614043434 1 2    3333 1 2      C-13-H3C(O)CH3
  680739.3093  0.0077 -4.7236 3  206.2979456  5951614042819 9 0    271612 0      C-13-H3C(O)CH3
  680754.7160  0.0075 -3.1016 3  373.5207552 -5951614043434 1 1    3333 1 1      C-13-H3C(O)CH3
  680770.8198  0.0103 -3.4025 3  373.4435276  5951614043434 1 4    3333 1 4      C-13-H3C(O)CH3
  680782.1437  0.0099 -5.5880 3  137.2029440  59516140427 522 0    26 423 0      C-13-H3C(O)CH3
  680782.1437  0.0099 -4.8344 3  137.2029440  59516140427 522 0    26 323 0      C-13-H3C(O)CH3
  680782.1437  0.0099 -5.5880 3  137.2029440  59516140427 622 0    26 323 0      C-13-H3C(O)CH3
  680782.1437  0.0099 -4.8344 3  137.2029440  59516140427 622 0    26 423 0      C-13-H3C(O)CH3
  680800.5650  0.0856 -4.4393 3  650.6626792  595161404492920 0    483019 0      C-13-H3C(O)CH3
  680816.2332  0.1349 -5.7853 3 1226.3816D52  59516140484 580 0    84 381 0      C-13-H3C(O)CH3
  680816.2332  0.1349 -5.7853 3 1226.3816D52  59516140484 480 0    84 481 0      C-13-H3C(O)CH3
  680838.4208  0.1010 -4.2911 3  622.4313776  595161404482820 2    472919 2      C-13-H3C(O)CH3
  680865.0874  0.0076 -3.1015 3  373.5556552 -5951614043434 0 2    3333 0 2      C-13-H3C(O)CH3
  680877.5570  0.1167 -6.1048 3 1125.7709660  59516140482 380 4    82 181 4      C-13-H3C(O)CH3
  680877.5570  0.1167 -6.1048 3 1125.7709660  59516140482 280 4    82 281 4      C-13-H3C(O)CH3
  680877.6781  0.1166 -6.1664 3 1125.7708660  59516140482 380 3    82 281 3      C-13-H3C(O)CH3
  680877.6781  0.1166 -6.1664 3 1125.7708660  59516140482 280 3    82 181 3      C-13-H3C(O)CH3
  680903.0278  0.1949 -5.5514 3  962.6800952  595161404593821 2    583919 2      C-13-H3C(O)CH3
  680927.1858  0.0075 -3.1015 3  373.5806552 -5951614043434 0 1    3333 0 1      C-13-H3C(O)CH3
  680942.6546  0.0099 -3.4024 3  373.5032276  5951614043434 0 3    3333 0 3      C-13-H3C(O)CH3
  680980.7409  0.0100 -3.4023 3  373.4790276  5951614043434 1 3    3333 1 3      C-13-H3C(O)CH3
  680987.7943  0.1680 -5.6831 3  962.7038476  595161404593821 3    583920 3      C-13-H3C(O)CH3
  681041.8207  0.2243 -5.3822 3  860.7336452  595161404563521 3    553620 3      C-13-H3C(O)CH3
  681047.9716  0.0086 -5.1138 3  746.3543952  595161404591446 0    581445 0      C-13-H3C(O)CH3
  681047.9716  0.0086 -5.1138 3  746.3543952  595161404591346 0    581345 0      C-13-H3C(O)CH3
  681047.9716  0.0086 -3.7872 3  746.3543952  595161404591346 0    581445 0      C-13-H3C(O)CH3
  681047.9716  0.0086 -3.7872 3  746.3543952  595161404591446 0    581345 0      C-13-H3C(O)CH3
  681053.2742  0.0235 -5.7600 3  107.8462424  59516140426 324 2    25 025 2      C-13-H3C(O)CH3
  681053.2742  0.0235 -5.7600 3  107.8462424  59516140426 224 2    25 125 2      C-13-H3C(O)CH3
  681054.1708  0.0241 -5.7116 3  107.8466424  59516140426 324 1    25 025 1      C-13-H3C(O)CH3
  681054.1708  0.0241 -5.7116 3  107.8466424  59516140426 224 1    25 125 1      C-13-H3C(O)CH3
  681058.4563  0.1743 -5.5769 3  962.6735952  595161404593821 1    583919 1      C-13-H3C(O)CH3
  681073.7139  0.0152 -3.7839 3  746.3316952  595161404591346 1    581445 1      C-13-H3C(O)CH3
  681073.7139  0.0152 -5.1877 3  746.3316952  595161404591346 1    581345 1      C-13-H3C(O)CH3
  681073.7139  0.0152 -5.1877 3  746.3316952  595161404591446 1    581445 1      C-13-H3C(O)CH3
  681073.7139  0.0152 -3.7839 3  746.3316952  595161404591446 1    581345 1      C-13-H3C(O)CH3
  681074.4247  0.0151 -3.8762 3  746.3313952  595161404591346 2    581445 2      C-13-H3C(O)CH3
  681074.4247  0.0151 -4.4204 3  746.3313952  595161404591346 2    581345 2      C-13-H3C(O)CH3
  681074.4247  0.0151 -4.4204 3  746.3313952  595161404591446 2    581445 2      C-13-H3C(O)CH3
  681074.4247  0.0151 -3.8762 3  746.3313952  595161404591446 2    581345 2      C-13-H3C(O)CH3
  681100.2019  0.0130 -4.6387 3  746.3085476  595161404591346 3    581345 3      C-13-H3C(O)CH3
  681100.2019  0.0130 -4.6387 3  746.3085476  595161404591446 3    581445 3      C-13-H3C(O)CH3
  681100.2019  0.0130 -4.2040 3  746.3085476  595161404591346 3    581445 3      C-13-H3C(O)CH3
  681100.2019  0.0130 -4.2040 3  746.3085476  595161404591446 3    581345 3      C-13-H3C(O)CH3
  681100.2236  0.0130 -4.1511 3  746.3085476  595161404591346 4    581345 4      C-13-H3C(O)CH3
  681100.2236  0.0130 -4.1511 3  746.3085476  595161404591446 4    581445 4      C-13-H3C(O)CH3
  681100.2236  0.0130 -4.8277 3  746.3085476  595161404591446 4    581345 4      C-13-H3C(O)CH3
  681100.2236  0.0130 -4.8277 3  746.3085476  595161404591346 4    581445 4      C-13-H3C(O)CH3
  681100.5514  0.0058 -4.3881 3  216.5999244  595161404301317 4    291218 4      C-13-H3C(O)CH3
  681100.7730  0.0049 -4.3881 3  216.5999244  595161404301317 3    291218 3      C-13-H3C(O)CH3
  681101.7483  0.0540 -4.2896 3  622.4328776  595161404482820 1    472919 1      C-13-H3C(O)CH3
  681103.1155  0.0058 -4.3881 3  216.5999244  595161404301417 4    291118 4      C-13-H3C(O)CH3
  681103.3489  0.0049 -4.3881 3  216.5999244  595161404301417 3    291118 3      C-13-H3C(O)CH3
  681121.5884  0.1812 -5.7280 3 1175.7659D36  59516140483 480 1    83 381 1      C-13-H3C(O)CH3
  681121.5884  0.1812 -5.7280 3 1175.7659D36  59516140483 380 1    83 281 1      C-13-H3C(O)CH3
  681125.0920  0.1829 -5.7814 3 1175.7655D36  59516140483 380 2    83 281 2      C-13-H3C(O)CH3
  681125.0920  0.1829 -5.7814 3 1175.7655D36  59516140483 480 2    83 381 2      C-13-H3C(O)CH3
  681153.2483  0.0105 -3.4022 3  373.5388276  5951614043434 0 4    3333 0 4      C-13-H3C(O)CH3
  681245.5737  0.0047 -4.0869 3  216.6102488  595161404301317 2    291218 2      C-13-H3C(O)CH3
  681248.1890  0.0047 -4.0869 3  216.6102488  595161404301417 2    291118 2      C-13-H3C(O)CH3
  681271.4938  0.0047 -4.0869 3  216.6124488  595161404301317 1    291218 1      C-13-H3C(O)CH3
  681273.9936  0.0047 -4.0869 3  216.6124488  595161404301417 1    291118 1      C-13-H3C(O)CH3
  681416.0422  0.0047 -4.0867 3  216.6227488  595161404301317 0    291218 0      C-13-H3C(O)CH3
  681418.5827  0.0047 -4.0867 3  216.6227488  595161404301417 0    291118 0      C-13-H3C(O)CH3
  681535.3113  0.0641 -4.2872 3  622.4401776  595161404482820 0    472919 0      C-13-H3C(O)CH3
  681554.5048  0.0099 -5.0754 3  187.1470440  595161404271710 2    261413 2      C-13-H3C(O)CH3
  681596.2329  0.0057 -4.7316 3  791.0415540  59516140467 563 4    66 562 4      C-13-H3C(O)CH3
  681596.2329  0.0057 -4.0925 3  791.0415540  59516140467 563 4    66 462 4      C-13-H3C(O)CH3
  681596.2329  0.0057 -4.7316 3  791.0415540  59516140467 463 4    66 462 4      C-13-H3C(O)CH3
  681596.2329  0.0057 -4.0925 3  791.0415540  59516140467 463 4    66 562 4      C-13-H3C(O)CH3
  681596.2731  0.0057 -4.0852 3  791.0414540  59516140467 563 3    66 562 3      C-13-H3C(O)CH3
  681596.2731  0.0057 -4.7651 3  791.0414540  59516140467 463 3    66 562 3      C-13-H3C(O)CH3
  681596.2731  0.0057 -4.0852 3  791.0414540  59516140467 463 3    66 462 3      C-13-H3C(O)CH3
  681596.2731  0.0057 -4.7651 3  791.0414540  59516140467 563 3    66 462 3      C-13-H3C(O)CH3
  681603.5386  0.1095 -5.8316 3 1175.7723D36  59516140483 480 0    83 281 0      C-13-H3C(O)CH3
  681603.5386  0.1095 -5.8316 3 1175.7723D36  59516140483 380 0    83 381 0      C-13-H3C(O)CH3
  681619.1105  0.0085 -3.8897 3  791.0619A80  59516140467 563 1    66 462 1      C-13-H3C(O)CH3
  681619.1105  0.0085 -4.1562 3  791.0619A80  59516140467 463 1    66 462 1      C-13-H3C(O)CH3
  681619.1445  0.0085 -3.8897 3  791.0619A80 -59516140467 463 1    66 562 1      C-13-H3C(O)CH3
  681619.1445  0.0085 -4.1562 3  791.0619A80 -59516140467 563 1    66 562 1      C-13-H3C(O)CH3
  681619.1445  0.0084 -4.7692 3  791.0616A80 -59516140467 463 2    66 462 2      C-13-H3C(O)CH3
  681619.1445  0.0084 -3.7407 3  791.0616A80 -59516140467 563 2    66 462 2      C-13-H3C(O)CH3
  681619.2901  0.0084 -4.7692 3  791.0616A80  59516140467 563 2    66 562 2      C-13-H3C(O)CH3
  681619.2901  0.0084 -3.7407 3  791.0616A80  59516140467 463 2    66 562 2      C-13-H3C(O)CH3
  681628.3401  0.1576 -5.6839 3  962.6558952  595161404593821 2    583920 2      C-13-H3C(O)CH3
  681630.0455  0.1521 -5.3115 3  962.6223952  595161404593821 0    583920 0      C-13-H3C(O)CH3
  681633.4396  0.0045 -3.5841 3  392.1799616  595161404382513 0    372414 0      C-13-H3C(O)CH3
  681642.0384  0.0056 -3.7023 3  791.0821A80 -59516140467 563 0    66 462 0      C-13-H3C(O)CH3
  681642.1076  0.0056 -3.7023 3  791.0821A80  59516140467 463 0    66 562 0      C-13-H3C(O)CH3
  681650.8374  0.0088 -5.0746 3  187.1560440  595161404271710 0    261413 0      C-13-H3C(O)CH3
  681651.2365  0.0126 -5.3807 3  187.1425220  595161404271710 4    261413 4      C-13-H3C(O)CH3
  681656.1255  0.0128 -5.3805 3  187.1424220  595161404271710 3    261413 3      C-13-H3C(O)CH3
  681657.2656  0.1758 -5.6511 3  962.6536952  595161404593821 1    583920 1      C-13-H3C(O)CH3
  681682.2736  0.1740 -5.9466 3 1125.7496D20  59516140482 380 2    82 281 2      C-13-H3C(O)CH3
  681682.2736  0.1740 -5.9466 3 1125.7496D20  59516140482 280 2    82 181 2      C-13-H3C(O)CH3
  681682.3896  0.1682 -5.8232 3 1125.7500D20  59516140482 380 1    82 181 1      C-13-H3C(O)CH3
  681682.3896  0.1682 -5.8232 3 1125.7500D20  59516140482 280 1    82 281 1      C-13-H3C(O)CH3
  681687.5195  0.0050 -3.5864 3  392.1593616  595161404382513 1    372414 1      C-13-H3C(O)CH3
  681715.2454  0.1868 -5.9388 3 1201.3837A48  595161404654620 0    644717 0      C-13-H3C(O)CH3
  681715.6116  0.1868 -5.9388 3 1201.3837A48  595161404654619 0    644718 0      C-13-H3C(O)CH3
  681715.6801  0.1651 -5.9388 3 1201.4362A48  595161404654619 2    644717 2      C-13-H3C(O)CH3
  681748.2164  0.0100 -5.0788 3  187.1514440  595161404271710 1    261413 1      C-13-H3C(O)CH3
  681775.7113  0.0075 -3.8916 3  392.1399308  595161404382513 3    372414 3      C-13-H3C(O)CH3
  681787.0854  0.0088 -3.6001 3  392.1602616  595161404382513 2    372414 2      C-13-H3C(O)CH3
  681794.5874  0.0227 -5.7351 3  107.7764424  59516140426 324 0    25 125 0      C-13-H3C(O)CH3
  681794.5874  0.0227 -5.7351 3  107.7764424  59516140426 224 0    25 025 0      C-13-H3C(O)CH3
  681825.9034  0.1637 -5.5459 3  860.7108452  595161404563521 4    553620 4      C-13-H3C(O)CH3
  681857.4605  0.1865 -5.9386 3 1201.4310A48  595161404654619 1    644717 1      C-13-H3C(O)CH3
  681858.1687  0.1611 -6.2397 3 1201.4836524  595161404654619 4    644717 4      C-13-H3C(O)CH3
  681869.5557  0.2200 -6.1999 3  962.6853476  595161404593821 4    583920 4      C-13-H3C(O)CH3
  681901.2375  0.0128 -3.9139 3  392.1388308  595161404382513 4    372414 4      C-13-H3C(O)CH3
  681984.0157  0.1823 -5.1567 3  860.6981904  595161404563521 2    553620 2      C-13-H3C(O)CH3
  681996.8505  0.1553 -5.9388 3 1201.4011A48  595161404654620 2    644718 2      C-13-H3C(O)CH3
  682042.7729  0.1651 -5.9386 3 1201.3964A48  595161404654620 1    644718 1      C-13-H3C(O)CH3
  682042.8317  0.1525 -6.2396 3 1201.4488524  595161404654620 3    644717 3      C-13-H3C(O)CH3
  682051.0295  0.1429 -5.1373 3  860.6963904  595161404563521 1    553620 1      C-13-H3C(O)CH3
  682123.6459  0.0086 -3.7646 3  756.0172968  595161404601248 0    591247 0      C-13-H3C(O)CH3
  682123.6459  0.0086 -3.7646 3  756.0172968  595161404601348 0    591347 0      C-13-H3C(O)CH3
  682139.0095  0.1580 -6.2396 3 1201.4485524  595161404654619 3    644718 3      C-13-H3C(O)CH3
  682145.6247  0.0162 -4.1935 3  755.9926968  595161404601248 1    591347 1      C-13-H3C(O)CH3
  682145.6247  0.0162 -3.9665 3  755.9926968  595161404601348 1    591347 1      C-13-H3C(O)CH3
  682145.6247  0.0162 -4.1935 3  755.9926968  595161404601348 1    591247 1      C-13-H3C(O)CH3
  682145.6247  0.0162 -3.9665 3  755.9926968  595161404601248 1    591247 1      C-13-H3C(O)CH3
  682146.2057  0.0161 -3.7644 3  755.9923968  595161404601348 2    591347 2      C-13-H3C(O)CH3
  682146.2057  0.0161 -3.7644 3  755.9923968  595161404601248 2    591247 2      C-13-H3C(O)CH3
  682168.2152  0.0127 -4.0736 3  755.9676484  595161404601248 3    591347 3      C-13-H3C(O)CH3
  682168.2152  0.0127 -5.7885 3  755.9676484  595161404601248 3    591247 3      C-13-H3C(O)CH3
  682168.2152  0.0127 -5.7885 3  755.9676484  595161404601348 3    591347 3      C-13-H3C(O)CH3
  682168.2152  0.0127 -4.0736 3  755.9676484  595161404601348 3    591247 3      C-13-H3C(O)CH3
  682168.2269  0.0127 -4.1833 3  755.9676484  595161404601248 4    591347 4      C-13-H3C(O)CH3
  682168.2269  0.0127 -4.6889 3  755.9676484  595161404601348 4    591347 4      C-13-H3C(O)CH3
  682168.2269  0.0127 -4.1833 3  755.9676484  595161404601348 4    591247 4      C-13-H3C(O)CH3
  682168.2269  0.0127 -4.6889 3  755.9676484  595161404601248 4    591247 4      C-13-H3C(O)CH3
  682258.1075  0.3975 -6.0105 3 1076.3103D04  59516140481 180 2    81 181 2      C-13-H3C(O)CH3
  682258.1075  0.3975 -6.0105 3 1076.3103D04  59516140481 280 2    81 081 2      C-13-H3C(O)CH3
  682266.9351  0.3851 -6.1720 3 1076.3104D04  59516140481 280 1    81 081 1      C-13-H3C(O)CH3
  682266.9351  0.3851 -6.1720 3 1076.3104D04  59516140481 180 1    81 181 1      C-13-H3C(O)CH3
  682282.9254  0.0244 -4.2937 3  590.3332380  595161404472621 3    462720 3      C-13-H3C(O)CH3
  682291.2356  0.0249 -4.2937 3  590.3329380  595161404472621 4    462720 4      C-13-H3C(O)CH3
  682324.9507  0.1557 -6.2396 3 1201.4138524  595161404654620 4    644718 4      C-13-H3C(O)CH3
  682346.5099  0.0268 -3.9919 3  590.3467760  595161404472621 2    462720 2      C-13-H3C(O)CH3
  682383.4801  0.0161 -3.9915 3  590.3506760  595161404472621 1    462720 1      C-13-H3C(O)CH3
  682441.3291  0.0186 -3.9908 3  590.3643760  595161404472621 0    462720 0      C-13-H3C(O)CH3
  682484.9344  0.0045 -3.1638 3  376.4904568 -5951614043532 4 2    3431 4 2      C-13-H3C(O)CH3
  682485.8031  0.1252 -5.9356 3 1125.7288D20  59516140482 280 0    82 281 0      C-13-H3C(O)CH3
  682485.8031  0.1252 -5.9356 3 1125.7288D20  59516140482 380 0    82 181 0      C-13-H3C(O)CH3
  682489.8670  0.0044 -3.1638 3  376.5414568 -5951614043532 3 0    3431 4 0      C-13-H3C(O)CH3
  682489.8670  0.0044 -3.1638 3  376.5414568 -5951614043532 4 0    3431 3 0      C-13-H3C(O)CH3
  682513.9417  0.1526 -5.0769 3  860.6756904  595161404563521 0    553620 0      C-13-H3C(O)CH3
  682534.0147  0.0065 -3.4647 3  376.4251284  5951614043532 4 4    3431 4 4      C-13-H3C(O)CH3
  682538.2408  0.0047 -3.1637 3  376.4761568 -5951614043532 4 1    3431 4 1      C-13-H3C(O)CH3
  682643.2121  0.0046 -3.1636 3  376.5046568 -5951614043532 3 2    3431 3 2      C-13-H3C(O)CH3
  682691.6153  0.0065 -3.4645 3  376.4394284  5951614043532 4 3    3431 4 3      C-13-H3C(O)CH3
  682694.0886  0.0076 -3.8498 3  641.1619808  595161404502327 0    492426 0      C-13-H3C(O)CH3
  682694.5637  0.0076 -3.8498 3  641.1619808  595161404502427 0    492326 0      C-13-H3C(O)CH3
  682698.6449  0.3120 -5.9108 3  998.0153968  595161404603922 2    594019 2      C-13-H3C(O)CH3
  682712.1668  0.0226 -3.9265 3  497.0198696  595161404432618 0    422517 0      C-13-H3C(O)CH3
  682713.7581  0.0063 -3.4645 3  376.4609284  5951614043532 3 3    3431 3 3      C-13-H3C(O)CH3
  682718.6224  0.0047 -3.1635 3  376.5118568 -5951614043532 3 1    3431 3 1      C-13-H3C(O)CH3
  682729.5672  0.1642 -6.0002 3 1115.8149508  595161404634320 4    624418 4      C-13-H3C(O)CH3
  682740.0862  0.0092 -3.8498 3  641.1496808  595161404502327 1    492426 1      C-13-H3C(O)CH3
  682740.6062  0.0092 -3.8498 3  641.1496808  595161404502427 1    492326 1      C-13-H3C(O)CH3
  682748.5189  0.0100 -3.8498 3  641.1483808  595161404502327 2    492426 2      C-13-H3C(O)CH3
  682749.0459  0.0100 -3.8498 3  641.1482808  595161404502427 2    492326 2      C-13-H3C(O)CH3
  682762.2420  0.0048 -5.0471 3  795.8202548  59516140468 365 3    67 364 3      C-13-H3C(O)CH3
  682762.2420  0.0048 -4.0363 3  795.8202548  59516140468 465 3    67 364 3      C-13-H3C(O)CH3
  682762.3029  0.0048 -5.0471 3  795.8202548 -59516140468 465 3    67 464 3      C-13-H3C(O)CH3
  682762.3029  0.0048 -4.0363 3  795.8202548 -59516140468 365 3    67 464 3      C-13-H3C(O)CH3
  682762.3029  0.0048 -3.9962 3  795.8202548 -59516140468 465 4    67 364 4      C-13-H3C(O)CH3
  682762.3029  0.0048 -3.9962 3  795.8202548 -59516140468 365 4    67 464 4      C-13-H3C(O)CH3
  682768.9850  0.0149 -3.7977 3  366.5818600  595161404372314 2    362215 2      C-13-H3C(O)CH3
  682787.8104  0.1764 -5.7041 3 1115.7656A16  595161404634320 2    624418 2      C-13-H3C(O)CH3
  682788.0739  0.0069 -3.7582 3  795.8305A96  59516140468 365 1    67 464 1      C-13-H3C(O)CH3
  682788.0739  0.0069 -4.5625 3  795.8305A96  59516140468 465 1    67 464 1      C-13-H3C(O)CH3
  682788.0986  0.0070 -3.9475 3  795.8302A96 -59516140468 465 2    67 364 2      C-13-H3C(O)CH3
  682788.0986  0.0069 -3.7582 3  795.8305A96 -59516140468 465 1    67 364 1      C-13-H3C(O)CH3
  682788.0986  0.0070 -4.0504 3  795.8302A96 -59516140468 365 2    67 364 2      C-13-H3C(O)CH3
  682788.0986  0.0069 -4.5625 3  795.8305A96 -59516140468 365 1    67 364 1      C-13-H3C(O)CH3
  682788.1337  0.0070 -4.0504 3  795.8302A96  59516140468 465 2    67 464 2      C-13-H3C(O)CH3
  682788.1337  0.0070 -3.9475 3  795.8302A96  59516140468 365 2    67 464 2      C-13-H3C(O)CH3
  682794.5732  0.0113 -4.1509 3  641.1359404  595161404502327 3    492426 3      C-13-H3C(O)CH3
  682794.6543  0.0113 -4.1509 3  641.1359404  595161404502327 4    492426 4      C-13-H3C(O)CH3
  682795.1502  0.0113 -4.1509 3  641.1359404  595161404502427 3    492326 3      C-13-H3C(O)CH3
  682795.2279  0.0113 -4.1509 3  641.1359404  595161404502427 4    492326 4      C-13-H3C(O)CH3
  682813.8957  0.0052 -4.5472 3  795.8405A96 -59516140468 465 0    67 364 0      C-13-H3C(O)CH3
  682813.8957  0.0052 -3.7606 3  795.8405A96 -59516140468 365 0    67 364 0      C-13-H3C(O)CH3
  682813.9327  0.0052 -4.5472 3  795.8405A96  59516140468 365 0    67 464 0      C-13-H3C(O)CH3
  682813.9327  0.0052 -3.7606 3  795.8405A96  59516140468 465 0    67 464 0      C-13-H3C(O)CH3
  682839.9216  0.2287 -5.8292 3  998.0506484  595161404603922 3    594019 3      C-13-H3C(O)CH3
  682842.7410  0.0081 -3.8344 3  656.6242824 -595161404512229 0    502328 0      C-13-H3C(O)CH3
  682842.7410  0.0081 -3.8344 3  656.6242824 -595161404512329 0    502228 0      C-13-H3C(O)CH3
  682853.2216  0.0163 -4.0991 3  366.5609300  595161404372314 4    362215 4      C-13-H3C(O)CH3
  682856.1929  0.0183 -4.0990 3  366.5610300  595161404372314 3    362215 3      C-13-H3C(O)CH3
  682871.2328  0.0067 -3.4643 3  376.4750284  5951614043532 3 4    3431 3 4      C-13-H3C(O)CH3
  682872.1742  0.2410 -5.8684 3  998.0095968  595161404603922 1    594019 1      C-13-H3C(O)CH3
  682887.5382  0.0099 -3.8345 3  656.6121824  595161404512229 1    502328 1      C-13-H3C(O)CH3
  682887.5473  0.0099 -3.8345 3  656.6121824  595161404512329 1    502228 1      C-13-H3C(O)CH3
  682893.5206  0.0105 -3.8344 3  656.6111824  595161404512229 2    502328 2      C-13-H3C(O)CH3
  682893.5298  0.0105 -3.8344 3  656.6111824  595161404512329 2    502228 2      C-13-H3C(O)CH3
  682905.0120  0.0206 -3.9260 3  496.9972696  595161404432618 1    422517 1      C-13-H3C(O)CH3
  682916.5197  0.0103 -3.7994 3  366.6072600 -595161404372314 0    362215 0      C-13-H3C(O)CH3
  682919.1181  0.1978 -5.7001 3 1115.7619A16  595161404634320 1    624418 1      C-13-H3C(O)CH3
  682938.4706  0.0120 -4.1355 3  656.5990412  595161404512229 3    502328 3      C-13-H3C(O)CH3
  682938.4812  0.0120 -4.1355 3  656.5990412  595161404512329 3    502228 3      C-13-H3C(O)CH3
  682938.5495  0.0120 -4.1355 3  656.5990412  595161404512229 4    502328 4      C-13-H3C(O)CH3
  682938.5599  0.0120 -4.1355 3  656.5990412  595161404512329 4    502228 4      C-13-H3C(O)CH3
  682954.0593  0.1899 -5.7587 3  998.0340484  595161404603922 4    594020 4      C-13-H3C(O)CH3
  682962.9614  0.1667 -6.2543 3  998.0465484  595161404603922 3    594020 3      C-13-H3C(O)CH3
  682967.0889  0.2028 -5.6986 3 1115.7128A16  595161404634321 0    624418 0      C-13-H3C(O)CH3
  682987.3785  0.2029 -5.6986 3 1115.7127A16  595161404634320 0    624419 0      C-13-H3C(O)CH3
  682999.0727  0.0178 -5.8512 3  162.8062196  5951614042421 3 4    2318 5 4      C-13-H3C(O)CH3
  682999.7450  0.0115 -3.7997 3  366.5864600  595161404372314 1    362215 1      C-13-H3C(O)CH3
  683030.0677  0.0144 -5.8471 3  162.7578196  5951614042421 4 3    2318 5 3      C-13-H3C(O)CH3
  683039.4549  0.1608 -6.1863 3 1290.8994A80  595161404674919 0    665016 0      C-13-H3C(O)CH3
  683039.4598  0.1608 -6.1863 3 1290.8994A80  595161404674918 0    665017 0      C-13-H3C(O)CH3
  683058.8900  0.0072 -3.8725 3  625.0136792  595161404492425 0    482524 0      C-13-H3C(O)CH3
  683079.5175  0.1578 -6.0073 3 1115.7978508  595161404634321 3    624419 3      C-13-H3C(O)CH3
  683079.8541  0.0071 -3.8725 3  625.0131792  595161404492525 0    482424 0      C-13-H3C(O)CH3
  683105.6895  0.0086 -3.8726 3  625.0008792  595161404492425 1    482524 1      C-13-H3C(O)CH3
  683111.0588  0.1392 -6.0074 3 1115.7992508  595161404634320 3    624418 3      C-13-H3C(O)CH3
  683118.1890  0.0095 -3.8726 3  624.9988792  595161404492425 2    482524 2      C-13-H3C(O)CH3
  683127.8802  0.0085 -3.8726 3  625.0002792  595161404492525 1    482424 1      C-13-H3C(O)CH3
  683140.7616  0.0093 -3.8726 3  624.9982792  595161404492525 2    482424 2      C-13-H3C(O)CH3
  683164.9925  0.0106 -4.1737 3  624.9859396  595161404492425 3    482524 3      C-13-H3C(O)CH3
  683165.1085  0.0107 -4.1737 3  624.9859396  595161404492425 4    482524 4      C-13-H3C(O)CH3
  683167.3103  0.1678 -5.7040 3 1115.7500A16  595161404634321 2    624419 2      C-13-H3C(O)CH3
  683178.1216  0.1721 -6.1864 3 1290.9425A80  595161404674918 2    665016 2      C-13-H3C(O)CH3
  683188.8943  0.0105 -4.1737 3  624.9853396  595161404492525 3    482424 3      C-13-H3C(O)CH3
  683188.9278  0.0105 -4.1737 3  624.9853396  595161404492525 4    482424 4      C-13-H3C(O)CH3
  683194.5192  0.1572 -5.5454 3  997.9988968  595161404603922 2    594020 2      C-13-H3C(O)CH3
  683216.2068  0.0088 -3.8776 3  765.1353984  595161404611250 0    601249 0      C-13-H3C(O)CH3
  683216.2068  0.0088 -4.3908 3  765.1353984  595161404611150 0    601249 0      C-13-H3C(O)CH3
  683216.2068  0.0088 -3.8776 3  765.1353984  595161404611150 0    601149 0      C-13-H3C(O)CH3
  683216.2068  0.0088 -4.3908 3  765.1353984  595161404611250 0    601149 0      C-13-H3C(O)CH3
  683233.8946  0.0173 -4.2841 3  765.1087984  595161404611150 1    601249 1      C-13-H3C(O)CH3
  683233.8946  0.0173 -3.9163 3  765.1087984  595161404611150 1    601149 1      C-13-H3C(O)CH3
  683233.8946  0.0173 -4.2841 3  765.1087984  595161404611250 1    601149 1      C-13-H3C(O)CH3
  683233.8946  0.0173 -3.9163 3  765.1087984  595161404611250 1    601249 1      C-13-H3C(O)CH3
  683234.3834  0.0171 -4.0795 3  765.1084984  595161404611150 2    601249 2      C-13-H3C(O)CH3
  683234.3834  0.0171 -4.0460 3  765.1084984  595161404611150 2    601149 2      C-13-H3C(O)CH3
  683234.3834  0.0171 -4.0795 3  765.1084984  595161404611250 2    601149 2      C-13-H3C(O)CH3
  683234.3834  0.0171 -4.0460 3  765.1084984  595161404611250 2    601249 2      C-13-H3C(O)CH3
  683252.0975  0.0123 -5.6088 3  765.0818492  595161404611150 3    601149 3      C-13-H3C(O)CH3
  683252.0975  0.0123 -4.0749 3  765.0818492  595161404611150 3    601249 3      C-13-H3C(O)CH3
  683252.0975  0.0123 -4.0749 3  765.0818492  595161404611250 3    601149 3      C-13-H3C(O)CH3
  683252.0975  0.0123 -5.6088 3  765.0818492  595161404611250 3    601249 3      C-13-H3C(O)CH3
  683252.0985  0.0123 -4.4603 3  765.0818492  595161404611250 4    601149 4      C-13-H3C(O)CH3
  683252.0985  0.0123 -4.2842 3  765.0818492  595161404611250 4    601249 4      C-13-H3C(O)CH3
  683252.0985  0.0123 -4.4603 3  765.0818492  595161404611150 4    601249 4      C-13-H3C(O)CH3
  683252.0985  0.0123 -4.2842 3  765.0818492  595161404611150 4    601149 4      C-13-H3C(O)CH3
  683262.9359  0.1570 -5.5649 3  997.9965968  595161404603922 1    594020 1      C-13-H3C(O)CH3
  683267.6791  0.0334 -3.9255 3  496.9812696  595161404432618 2    422517 2      C-13-H3C(O)CH3
  683270.8786  0.1947 -5.6999 3 1115.7449A16  595161404634321 1    624419 1      C-13-H3C(O)CH3
  683292.0532  0.1707 -6.1861 3 1290.9363A80  595161404674918 1    665016 1      C-13-H3C(O)CH3
  683295.3257  0.0086 -3.8237 3  671.4462840 -595161404522131 0    512230 0      C-13-H3C(O)CH3
  683295.3257  0.0086 -3.8237 3  671.4462840 -595161404522231 0    512130 0      C-13-H3C(O)CH3
  683298.0628  0.1557 -6.1862 3 1290.8920A80  595161404674919 1    665017 1      C-13-H3C(O)CH3
  683307.2806  0.1601 -5.3898 3  997.9626968  595161404603922 0    594019 0      C-13-H3C(O)CH3
  683324.8529  0.1485 -6.1863 3 1290.8955A80  595161404674919 2    665017 2      C-13-H3C(O)CH3
  683325.4190  0.0358 -4.3181 3  396.2100308  595161404382613 4    372512 4      C-13-H3C(O)CH3
  683338.9812  0.0106 -3.8237 3  671.4339840  595161404522131 1    512230 1      C-13-H3C(O)CH3
  683338.9814  0.0106 -3.8237 3  671.4339840  595161404522231 1    512130 1      C-13-H3C(O)CH3
  683343.4008  0.0111 -3.8236 3  671.4333840  595161404522131 2    512230 2      C-13-H3C(O)CH3
  683343.4009  0.0111 -3.8236 3  671.4333840  595161404522231 2    512130 2      C-13-H3C(O)CH3
  683375.1006  0.0149 -5.8486 3  162.7497196  5951614042421 3 3    2318 6 3      C-13-H3C(O)CH3
  683387.1841  0.0126 -4.1247 3  671.4210420  595161404522131 3    512230 3      C-13-H3C(O)CH3
  683387.1843  0.0126 -4.1247 3  671.4210420  595161404522231 3    512130 3      C-13-H3C(O)CH3
  683387.2604  0.0126 -4.1246 3  671.4210420  595161404522131 4    512230 4      C-13-H3C(O)CH3
  683387.2605  0.0126 -4.1246 3  671.4210420  595161404522231 4    512130 4      C-13-H3C(O)CH3
  683405.8094  0.2981 -6.0512 3  828.2055444  595161404553421 4    543519 4      C-13-H3C(O)CH3
  683407.3204  0.0149 -5.8439 3  162.7013196  5951614042421 4 4    2318 6 4      C-13-H3C(O)CH3
  683445.4441  0.0324 -4.2262 3  496.9588348  595161404432618 4    422517 4      C-13-H3C(O)CH3
  683462.5885  0.1535 -5.9999 3 1115.7823508  595161404634321 4    624419 4      C-13-H3C(O)CH3
  683467.8646  0.0335 -4.2260 3  496.9586348  595161404432618 3    422517 3      C-13-H3C(O)CH3
  683481.7258  0.2609 -6.1151 3 1076.2481D04  59516140481 180 0    81 081 0      C-13-H3C(O)CH3
  683481.7258  0.2609 -6.1151 3 1076.2481D04  59516140481 280 0    81 181 0      C-13-H3C(O)CH3
  683505.2406  0.0169 -5.4198 3  195.9437220  5951614042720 8 4    261710 4      C-13-H3C(O)CH3
  683547.1656  0.0281 -3.8624 3  396.2291616  595161404382613 2    372512 2      C-13-H3C(O)CH3
  683582.2216  0.0139 -5.5497 3  162.7986392  5951614042421 3 1    2318 5 1      C-13-H3C(O)CH3
  683784.1191  0.0109 -3.5878 3  396.2186616  595161404382613 1    372512 1      C-13-H3C(O)CH3
  683808.1735  0.0265 -3.9808 3  396.2050308  595161404382613 3    372512 3      C-13-H3C(O)CH3
  683833.0120  0.0044 -3.4961 3  396.2395616 -595161404382613 0    372512 0      C-13-H3C(O)CH3
  683861.7747  0.0131 -5.5524 3  162.8052392  5951614042421 3 2    2318 5 2      C-13-H3C(O)CH3
  683888.9950  0.0137 -5.5480 3  162.7568392  5951614042421 4 2    2318 6 2      C-13-H3C(O)CH3
  683939.3621  0.0046 -4.5750 3  800.0690556  59516140469 367 3    68 366 3      C-13-H3C(O)CH3
  683939.3621  0.0046 -4.1187 3  800.0690556  59516140469 267 3    68 366 3      C-13-H3C(O)CH3
  683939.3632  0.0046 -3.9902 3  800.0690556  59516140469 267 4    68 366 4      C-13-H3C(O)CH3
  683939.4926  0.0046 -4.1187 3  800.0690556 -59516140469 367 3    68 266 3      C-13-H3C(O)CH3
  683939.4926  0.0046 -4.5750 3  800.0690556 -59516140469 267 3    68 266 3      C-13-H3C(O)CH3
  683939.4926  0.0046 -3.9902 3  800.0690556 -59516140469 367 4    68 266 4      C-13-H3C(O)CH3
  683939.5970  0.0090 -3.8158 3  685.6563856  595161404532033 0    522132 0      C-13-H3C(O)CH3
  683939.5970  0.0090 -3.8158 3  685.6563856  595161404532133 0    522032 0      C-13-H3C(O)CH3
  683954.0662  0.0136 -5.5468 3  162.7423392  5951614042421 4 1    2318 6 1      C-13-H3C(O)CH3
  683964.5596  0.0078 -4.2810 3  800.0631B12  59516140469 267 2    68 366 2      C-13-H3C(O)CH3
  683964.5596  0.0078 -3.8151 3  800.0631B12  59516140469 367 2    68 366 2      C-13-H3C(O)CH3
  683964.6136  0.0075 -3.9726 3  800.0635B12  59516140469 267 1    68 266 1      C-13-H3C(O)CH3
  683964.6136  0.0075 -3.9726 3  800.0635B12  59516140469 367 1    68 366 1      C-13-H3C(O)CH3
  683964.6295  0.0078 -3.8151 3  800.0631B12 -59516140469 267 2    68 266 2      C-13-H3C(O)CH3
  683964.6295  0.0075 -4.0048 3  800.0635B12 -59516140469 367 1    68 266 1      C-13-H3C(O)CH3
  683964.6295  0.0078 -4.2810 3  800.0631B12 -59516140469 367 2    68 266 2      C-13-H3C(O)CH3
  683964.6295  0.0075 -4.0048 3  800.0635B12 -59516140469 267 1    68 366 1      C-13-H3C(O)CH3
  683982.0336  0.0113 -3.8160 3  685.6437856  595161404532133 1    522032 1      C-13-H3C(O)CH3
  683982.0336  0.0113 -3.8160 3  685.6437856  595161404532033 1    522132 1      C-13-H3C(O)CH3
  683985.3891  0.0116 -3.8158 3  685.6432856  595161404532133 2    522032 2      C-13-H3C(O)CH3
  683985.3891  0.0116 -3.8158 3  685.6432856  595161404532033 2    522132 2      C-13-H3C(O)CH3
  683989.7595  0.0054 -4.7911 3  800.0576B12 -59516140469 267 0    68 366 0      C-13-H3C(O)CH3
  683989.7595  0.0054 -4.7911 3  800.0576B12 -59516140469 367 0    68 266 0      C-13-H3C(O)CH3
  683989.7642  0.0054 -3.7229 3  800.0576B12  59516140469 367 0    68 366 0      C-13-H3C(O)CH3
  683989.7642  0.0054 -3.7229 3  800.0576B12  59516140469 267 0    68 266 0      C-13-H3C(O)CH3
  684027.8832  0.0132 -4.1168 3  685.6306428  595161404532133 3    522032 3      C-13-H3C(O)CH3
  684027.8832  0.0132 -4.1168 3  685.6306428  595161404532033 3    522132 3      C-13-H3C(O)CH3
  684027.9556  0.0132 -4.1168 3  685.6305428  595161404532033 4    522132 4      C-13-H3C(O)CH3
  684027.9557  0.0132 -4.1168 3  685.6305428  595161404532133 4    522032 4      C-13-H3C(O)CH3
  684104.2402  0.0039 -3.2403 3  381.1378584 -5951614043630 7 0    3529 6 0      C-13-H3C(O)CH3
  684104.2402  0.0039 -3.2403 3  381.1378584 -5951614043630 6 0    3529 7 0      C-13-H3C(O)CH3
  684111.4024  0.0043 -3.2404 3  381.0883584 -5951614043630 7 1    3529 7 1      C-13-H3C(O)CH3
  684111.4024  0.0042 -3.2404 3  381.1072584 -5951614043630 7 2    3529 7 2      C-13-H3C(O)CH3
  684119.3988  0.0055 -3.5415 3  381.0575292  5951614043630 7 4    3529 7 4      C-13-H3C(O)CH3
  684127.9159  0.0117 -5.1566 3  195.9571440  5951614042720 8 1    261710 1      C-13-H3C(O)CH3
  684154.7937  0.0073 -3.9093 3  608.1035776  595161404482523 0    472622 0      C-13-H3C(O)CH3
  684193.9650  0.0084 -3.9095 3  608.0898776  595161404482523 1    472622 1      C-13-H3C(O)CH3
  684209.9375  0.0101 -3.9096 3  608.0867776  595161404482523 2    472622 2      C-13-H3C(O)CH3
  684219.9474  0.0042 -3.2403 3  381.1149584 -5951614043630 6 2    3529 6 2      C-13-H3C(O)CH3
  684220.0202  0.0164 -5.5445 3  195.9466220  5951614042720 8 3    261710 3      C-13-H3C(O)CH3
  684228.0167  0.0055 -3.5414 3  381.0654292  5951614043630 7 3    3529 7 3      C-13-H3C(O)CH3
  684248.4661  0.0109 -4.2108 3  608.0730388  595161404482523 3    472622 3      C-13-H3C(O)CH3
  684249.2336  0.0109 -4.2108 3  608.0730388  595161404482523 4    472622 4      C-13-H3C(O)CH3
  684278.3833  0.0042 -3.2401 3  381.1061584 -5951614043630 6 1    3529 6 1      C-13-H3C(O)CH3
  684286.2572  0.0054 -3.5412 3  381.0755292  5951614043630 6 3    3529 6 3      C-13-H3C(O)CH3
  684314.6627  0.2255 -6.2524 3  998.0506484  595161404603921 3    594019 3      C-13-H3C(O)CH3
  684323.4202  0.0090 -3.8036 3  773.7103A00  595161404621152 0    611051 0      C-13-H3C(O)CH3
  684323.4202  0.0090 -3.7764 3  773.7103A00  595161404621052 0    611151 0      C-13-H3C(O)CH3
  684323.4202  0.0090 -4.7621 3  773.7103A00  595161404621052 0    611051 0      C-13-H3C(O)CH3
  684323.4202  0.0090 -5.1475 3  773.7103A00  595161404621152 0    611151 0      C-13-H3C(O)CH3
  684324.3705  0.1668 -5.7571 3  998.0633484  595161404603921 4    594019 4      C-13-H3C(O)CH3
  684330.1263  0.0216 -6.2787 3  671.4462824  595161404512427 0    512130 0      C-13-H3C(O)CH3
  684330.4001  0.0216 -6.2787 3  671.4462824  595161404512527 0    512230 0      C-13-H3C(O)CH3
  684336.2596  0.0182 -3.7982 3  773.6819A00  595161404621152 1    611051 1      C-13-H3C(O)CH3
  684336.2596  0.0182 -3.7982 3  773.6819A00  595161404621052 1    611151 1      C-13-H3C(O)CH3
  684336.2596  0.0182 -4.8136 3  773.6819A00  595161404621052 1    611051 1      C-13-H3C(O)CH3
  684336.2596  0.0182 -4.8136 3  773.6819A00  595161404621152 1    611151 1      C-13-H3C(O)CH3
  684336.6877  0.0180 -5.9401 3  773.6817A00  595161404621152 2    611151 2      C-13-H3C(O)CH3
  684336.6877  0.0180 -5.9401 3  773.6817A00  595161404621052 2    611051 2      C-13-H3C(O)CH3
  684336.6877  0.0180 -3.7611 3  773.6817A00  595161404621052 2    611151 2      C-13-H3C(O)CH3
  684336.6877  0.0180 -3.7611 3  773.6817A00  595161404621152 2    611051 2      C-13-H3C(O)CH3
  684349.5385  0.0118 -4.1105 3  773.6531500  595161404621052 4    611051 4      C-13-H3C(O)CH3
  684349.5385  0.0118 -5.0116 3  773.6531500  595161404621052 4    611151 4      C-13-H3C(O)CH3
  684349.5385  0.0118 -5.0116 3  773.6531500  595161404621152 4    611051 4      C-13-H3C(O)CH3
  684349.5385  0.0118 -4.1105 3  773.6531500  595161404621152 4    611151 4      C-13-H3C(O)CH3
  684349.5489  0.0118 -6.1795 3  773.6532500  595161404621152 3    611151 3      C-13-H3C(O)CH3
  684349.5489  0.0118 -4.0625 3  773.6532500  595161404621052 3    611151 3      C-13-H3C(O)CH3
  684349.5489  0.0118 -6.1795 3  773.6532500  595161404621052 3    611051 3      C-13-H3C(O)CH3
  684349.5489  0.0118 -4.0625 3  773.6532500  595161404621152 3    611051 3      C-13-H3C(O)CH3
  684394.1691  0.0059 -3.5411 3  381.0833292 -5951614043630 6 4    3529 6 4      C-13-H3C(O)CH3
  684414.9552  0.0071 -4.2174 3  396.2186616  595161404382612 1    372512 1      C-13-H3C(O)CH3
  684436.5023  0.0148 -5.5518 3  162.7978392  5951614042421 4 0    2318 5 0      C-13-H3C(O)CH3
  684437.7024  0.1811 -5.8267 3  998.0465484  595161404603921 3    594020 3      C-13-H3C(O)CH3
  684439.6929  0.1769 -5.5439 3  998.0153968  595161404603921 2    594019 2      C-13-H3C(O)CH3
  684448.7286  0.0148 -5.5518 3  162.7974392  5951614042421 3 0    2318 6 0      C-13-H3C(O)CH3
  684450.2629  0.0323 -6.2786 3  671.4333824  595161404512427 2    512130 2      C-13-H3C(O)CH3
  684450.5672  0.0323 -6.2786 3  671.4333824  595161404512527 2    512230 2      C-13-H3C(O)CH3
  684456.1848  0.0241 -6.2775 3  671.4339824  595161404512427 1    512130 1      C-13-H3C(O)CH3
  684456.4875  0.0241 -6.2775 3  671.4339824  595161404512527 1    512230 1      C-13-H3C(O)CH3
  684473.7827  0.2729 -6.1469 3  828.1733888  595161404553421 2    543519 2      C-13-H3C(O)CH3
  684506.6351  0.0087 -4.2591 3  396.2050308  595161404382612 3    372512 3      C-13-H3C(O)CH3
  684558.9119  0.0084 -3.7397 3  396.2291616 -595161404382612 2    372512 2      C-13-H3C(O)CH3
  684562.5999  0.0165 -5.4413 3  195.9466220  5951614042720 7 3    261710 3      C-13-H3C(O)CH3
  684582.3275  0.1866 -5.5632 3  998.0095968  595161404603921 1    594019 1      C-13-H3C(O)CH3
  684593.0978  0.0130 -5.1893 3  195.9573440  5951614042720 8 2    261710 2      C-13-H3C(O)CH3
  684629.6677  0.0066 -5.8718 3  411.4476632  595161404392514 2    382414 2      C-13-H3C(O)CH3
  684665.8364  0.0077 -5.8845 3  411.4292316  595161404392514 4    382414 4      C-13-H3C(O)CH3
  684686.9631  0.0091 -3.9524 3  396.2100308  595161404382612 4    372512 4      C-13-H3C(O)CH3
  684711.6635  0.0094 -3.9437 3  699.2735872  595161404541935 0    532034 0      C-13-H3C(O)CH3
  684711.6635  0.0094 -4.3868 3  699.2735872  595161404541935 0    531934 0      C-13-H3C(O)CH3
  684711.6635  0.0094 -4.3868 3  699.2735872  595161404542035 0    532034 0      C-13-H3C(O)CH3
  684711.6635  0.0094 -3.9437 3  699.2735872  595161404542035 0    531934 0      C-13-H3C(O)CH3
  684752.6558  0.0119 -3.8137 3  699.2603872  595161404542035 1    532034 1      C-13-H3C(O)CH3
  684752.6558  0.0119 -6.0553 3  699.2603872  595161404541935 1    532034 1      C-13-H3C(O)CH3
  684752.6558  0.0119 -3.8116 3  699.2603872  595161404541935 1    531934 1      C-13-H3C(O)CH3
  684752.6558  0.0119 -5.7513 3  699.2603872  595161404542035 1    531934 1      C-13-H3C(O)CH3
  684755.2506  0.0122 -3.8103 3  699.2598872  595161404541935 2    532034 2      C-13-H3C(O)CH3
  684755.2506  0.0122 -3.8103 3  699.2598872  595161404542035 2    531934 2      C-13-H3C(O)CH3
  684796.2979  0.0137 -4.1283 3  699.2466436  595161404542035 3    532034 3      C-13-H3C(O)CH3
  684796.2979  0.0137 -5.6952 3  699.2466436  595161404542035 3    531934 3      C-13-H3C(O)CH3
  684796.2979  0.0137 -4.1225 3  699.2466436  595161404541935 3    531934 3      C-13-H3C(O)CH3
  684796.2979  0.0137 -5.5200 3  699.2466436  595161404541935 3    532034 3      C-13-H3C(O)CH3
  684796.3659  0.0137 -5.7314 3  699.2466436  595161404542035 4    531934 4      C-13-H3C(O)CH3
  684796.3659  0.0137 -4.1215 3  699.2466436  595161404541935 4    531934 4      C-13-H3C(O)CH3
  684796.3659  0.0137 -4.1215 3  699.2466436  595161404542035 4    532034 4      C-13-H3C(O)CH3
  684796.3659  0.0137 -5.7314 3  699.2466436  595161404541935 4    532034 4      C-13-H3C(O)CH3
  684800.6552  0.0069 -3.9084 3  608.0869776  595161404482623 0    472522 0      C-13-H3C(O)CH3
  684828.3381  0.0073 -3.9516 3  396.1599308  595161404382613 4    372513 4      C-13-H3C(O)CH3
  684862.5065  0.0080 -3.9085 3  608.0727776  595161404482623 1    472522 1      C-13-H3C(O)CH3
  684879.1071  0.0071 -3.7387 3  396.1846616 -595161404382613 2    372513 2      C-13-H3C(O)CH3
  684889.5696  0.0080 -3.9085 3  608.0694776  595161404482623 2    472522 2      C-13-H3C(O)CH3
  684894.8110  0.0061 -4.2167 3  396.1815616 -595161404382613 1    372513 1      C-13-H3C(O)CH3
  684898.3751  0.1675 -5.3874 3  997.9605968  595161404603921 0    594020 0      C-13-H3C(O)CH3
  684935.5672  0.1905 -5.9071 3  997.9988968  595161404603921 2    594020 2      C-13-H3C(O)CH3
  684951.5103  0.0089 -4.2097 3  608.0551388  595161404482623 4    472522 4      C-13-H3C(O)CH3
  684952.1790  0.0090 -4.2097 3  608.0551388  595161404482623 3    472522 3      C-13-H3C(O)CH3
  684973.0892  0.2055 -5.8650 3  997.9965968  595161404603921 1    594020 1      C-13-H3C(O)CH3
  684978.6379  0.2925 -6.1182 3 1628.9856E80  595161404921181 0    921182 0      C-13-H3C(O)CH3
  684978.6379  0.2925 -6.1182 3 1628.9856E80  595161404921281 0    921082 0      C-13-H3C(O)CH3
  685007.3782  0.0079 -4.2579 3  396.1650308  595161404382613 3    372513 3      C-13-H3C(O)CH3
  685063.2515  0.0076 -4.2797 3  262.1745260  595161404321715 3    311616 3      C-13-H3C(O)CH3
  685065.8449  0.0076 -4.2797 3  262.1745260  595161404321715 4    311616 4      C-13-H3C(O)CH3
  685067.1772  0.0064 -3.9788 3  262.1923520  595161404321715 2    311616 2      C-13-H3C(O)CH3
  685098.3284  0.0054 -4.3205 3  239.3190252  595161404311516 3    301417 3      C-13-H3C(O)CH3
  685098.4693  0.0061 -4.3205 3  239.3190252  595161404311516 4    301417 4      C-13-H3C(O)CH3
  685129.2001  0.0056 -3.9869 3  803.7899564  59516140470 269 3    69 268 3      C-13-H3C(O)CH3
  685129.2001  0.0056 -5.7964 3  803.7899564  59516140470 169 3    69 268 3      C-13-H3C(O)CH3
  685129.2170  0.0056 -3.9818 3  803.7899564  59516140470 169 4    69 268 4      C-13-H3C(O)CH3
  685129.3305  0.0056 -3.9869 3  803.7899564 -59516140470 169 3    69 168 3      C-13-H3C(O)CH3
  685129.3305  0.0056 -3.9818 3  803.7899564 -59516140470 269 4    69 168 4      C-13-H3C(O)CH3
  685129.3305  0.0056 -5.7964 3  803.7899564 -59516140470 269 3    69 168 3      C-13-H3C(O)CH3
  685147.8958  0.0084 -3.8128 3  803.7605B28 -59516140470 169 2    69 168 2      C-13-H3C(O)CH3
  685147.8958  0.0080 -3.6944 3  803.7609B28 -59516140470 169 1    69 168 1      C-13-H3C(O)CH3
  685147.8958  0.0084 -4.2560 3  803.7605B28 -59516140470 269 2    69 168 2      C-13-H3C(O)CH3
  685147.8958  0.0080 -5.1409 3  803.7609B28 -59516140470 269 1    69 168 1      C-13-H3C(O)CH3
  685147.9106  0.0084 -4.2560 3  803.7605B28  59516140470 169 2    69 268 2      C-13-H3C(O)CH3
  685147.9106  0.0084 -3.8128 3  803.7605B28  59516140470 269 2    69 268 2      C-13-H3C(O)CH3
  685147.9839  0.0080 -5.1409 3  803.7609B28  59516140470 169 1    69 268 1      C-13-H3C(O)CH3
  685147.9839  0.0080 -3.6944 3  803.7609B28  59516140470 269 1    69 268 1      C-13-H3C(O)CH3
  685154.7610  0.0048 -3.3413 3  387.5404600 -595161404372810 1    362710 1      C-13-H3C(O)CH3
  685158.7667  0.0065 -3.9787 3  262.1966520  595161404321715 1    311616 1      C-13-H3C(O)CH3
  685162.4792  0.0058 -3.9788 3  262.2144520  595161404321715 0    311616 0      C-13-H3C(O)CH3
  685166.0747  0.0057 -3.7488 3  803.7315B28 -59516140470 169 0    69 268 0      C-13-H3C(O)CH3
  685166.0747  0.0040 -3.3411 3  387.5752600 -595161404372810 0    3627 9 0      C-13-H3C(O)CH3
  685166.0747  0.0057 -4.5079 3  803.7315B28 -59516140470 269 0    69 268 0      C-13-H3C(O)CH3
  685166.3278  0.3447 -6.2243 3 1628.9844E80  595161404921281 1    921082 1      C-13-H3C(O)CH3
  685166.3278  0.3447 -6.2243 3 1628.9844E80  595161404921181 1    921182 1      C-13-H3C(O)CH3
  685166.6424  0.0057 -4.5079 3  803.7315B28  59516140470 169 0    69 168 0      C-13-H3C(O)CH3
  685166.6424  0.0057 -3.7488 3  803.7315B28  59516140470 269 0    69 168 0      C-13-H3C(O)CH3
  685168.8193  0.0040 -3.3411 3  387.5751600 -5951614043728 9 0    362710 0      C-13-H3C(O)CH3
  685176.8444  0.0051 -4.0194 3  239.3342504  595161404311516 2    301417 2      C-13-H3C(O)CH3
  685189.7429  0.0056 -3.6422 3  387.5181300  595161404372810 4    362710 4      C-13-H3C(O)CH3
  685192.7379  0.0060 -4.3204 3  239.3189252  595161404311616 4    301317 4      C-13-H3C(O)CH3
  685192.8608  0.0053 -4.3204 3  239.3189252  595161404311616 3    301317 3      C-13-H3C(O)CH3
  685202.0069  0.0045 -3.3410 3  387.5532600 -595161404372810 2    362710 2      C-13-H3C(O)CH3
  685216.5025  0.0051 -4.0194 3  239.3372504  595161404311516 1    301417 1      C-13-H3C(O)CH3
  685265.9815  0.0124 -5.2246 3  195.9571440  5951614042720 7 1    261710 1      C-13-H3C(O)CH3
  685268.7207  0.0053 -3.6425 3  387.5324300  5951614043728 9 3    3627 9 3      C-13-H3C(O)CH3
  685272.7053  0.0051 -4.0194 3  239.3341504  595161404311616 2    301317 2      C-13-H3C(O)CH3
  685280.4184  0.0041 -3.3412 3  387.5674600 -5951614043728 9 2    3627 9 2      C-13-H3C(O)CH3
  685281.7742  0.0086 -4.8910 3  195.9692440  5951614042720 7 0    261710 0      C-13-H3C(O)CH3
  685294.9021  0.0049 -4.0194 3  239.3524504  595161404311516 0    301417 0      C-13-H3C(O)CH3
  685299.8590  0.0040 -3.3410 3  387.5494600 -5951614043728 9 1    3627 9 1      C-13-H3C(O)CH3
  685309.0934  0.0051 -4.0194 3  239.3371504  595161404311616 1    301317 1      C-13-H3C(O)CH3
  685335.5280  0.0050 -3.6421 3  387.5272300  595161404372810 3    362710 3      C-13-H3C(O)CH3
  685388.8466  0.0049 -4.0193 3  239.3523504  595161404311616 0    301317 0      C-13-H3C(O)CH3
  685394.7076  0.0136 -5.1934 3  195.9573440  5951614042720 7 2    261710 2      C-13-H3C(O)CH3
  685400.1638  0.0043 -3.4945 3  396.2038616 -595161404382612 0    372513 0      C-13-H3C(O)CH3
  685413.8546  0.0049 -3.6422 3  387.5414300  5951614043728 9 4    3627 9 4      C-13-H3C(O)CH3
  685443.6164  0.0092 -3.7548 3  781.7439A16 -59516140463 954 0    62 953 0      C-13-H3C(O)CH3
  685443.6164  0.0092 -3.7548 3  781.7439A16 -595161404631054 0    621053 0      C-13-H3C(O)CH3
  685449.0138  0.0186 -5.5718 3  195.9437220  5951614042720 7 4    261710 4      C-13-H3C(O)CH3
  685451.0728  0.0188 -3.7732 3  781.7139A16  59516140463 954 1    62 953 1      C-13-H3C(O)CH3
  685451.0728  0.0188 -5.9986 3  781.7139A16  595161404631054 1    62 953 1      C-13-H3C(O)CH3
  685451.0728  0.0188 -3.7572 3  781.7139A16  595161404631054 1    621053 1      C-13-H3C(O)CH3
  685451.0728  0.0188 -5.1345 3  781.7139A16  59516140463 954 1    621053 1      C-13-H3C(O)CH3
  685451.4645  0.0185 -4.7696 3  781.7137A16  59516140463 954 2    62 953 2      C-13-H3C(O)CH3
  685451.4645  0.0185 -3.7988 3  781.7137A16  59516140463 954 2    621053 2      C-13-H3C(O)CH3
  685451.4645  0.0185 -4.7696 3  781.7137A16  595161404631054 2    621053 2      C-13-H3C(O)CH3
  685451.4645  0.0185 -3.7988 3  781.7137A16  595161404631054 2    62 953 2      C-13-H3C(O)CH3
  685458.8935  0.0113 -5.8278 3  781.6836508  59516140463 954 4    62 953 4      C-13-H3C(O)CH3
  685458.8935  0.0113 -4.0631 3  781.6836508  595161404631054 4    62 953 4      C-13-H3C(O)CH3
  685458.8935  0.0113 -5.8278 3  781.6836508  595161404631054 4    621053 4      C-13-H3C(O)CH3
  685458.8935  0.0113 -4.0631 3  781.6836508  59516140463 954 4    621053 4      C-13-H3C(O)CH3
  685458.9154  0.0113 -4.2693 3  781.6836508  59516140463 954 3    62 953 3      C-13-H3C(O)CH3
  685458.9154  0.0113 -4.4662 3  781.6836508  59516140463 954 3    621053 3      C-13-H3C(O)CH3
  685458.9154  0.0113 -4.2693 3  781.6836508  595161404631054 3    621053 3      C-13-H3C(O)CH3
  685458.9154  0.0113 -4.4662 3  781.6836508  595161404631054 3    62 953 3      C-13-H3C(O)CH3
  685496.9934  0.2295 -6.1151 3 1573.7780E64  595161404911181 0    911082 0      C-13-H3C(O)CH3
  685496.9934  0.2295 -6.1151 3 1573.7780E64  595161404911081 0    91 982 0      C-13-H3C(O)CH3
  685525.7107  0.0121 -3.5861 3  396.1815616 -595161404382612 1    372513 1      C-13-H3C(O)CH3
  685531.5253  0.0066 -4.5452 3  188.6344236  595161404291019 4    28 920 4      C-13-H3C(O)CH3
  685531.5273  0.0066 -4.5452 3  188.6344236  595161404291119 4    28 820 4      C-13-H3C(O)CH3
  685531.8514  0.0052 -4.5452 3  188.6344236  595161404291019 3    28 920 3      C-13-H3C(O)CH3
  685531.8534  0.0052 -4.5452 3  188.6344236  595161404291119 3    28 820 3      C-13-H3C(O)CH3
  685572.5210  0.0096 -4.3753 3  712.3111888  595161404551937 0    541836 0      C-13-H3C(O)CH3
  685572.5210  0.0096 -3.9420 3  712.3111888  595161404551937 0    541936 0      C-13-H3C(O)CH3
  685572.5210  0.0096 -3.8069 3  712.3111888  595161404551837 0    541836 0      C-13-H3C(O)CH3
  685611.8829  0.0125 -3.8080 3  712.2970888  595161404551837 1    541836 1      C-13-H3C(O)CH3
  685611.8829  0.0125 -3.8080 3  712.2970888  595161404551937 1    541936 1      C-13-H3C(O)CH3
  685611.8829  0.0125 -6.0771 3  712.2970888  595161404551937 1    541836 1      C-13-H3C(O)CH3
  685611.8829  0.0125 -6.0771 3  712.2970888  595161404551837 1    541936 1      C-13-H3C(O)CH3
  685613.9129  0.0127 -4.3499 3  712.2966888  595161404551937 2    541936 2      C-13-H3C(O)CH3
  685613.9129  0.0127 -3.9517 3  712.2966888  595161404551937 2    541836 2      C-13-H3C(O)CH3
  685613.9129  0.0127 -4.3499 3  712.2966888  595161404551837 2    541836 2      C-13-H3C(O)CH3
  685613.9129  0.0127 -3.9517 3  712.2966888  595161404551837 2    541936 2      C-13-H3C(O)CH3
  685653.3269  0.0141 -4.3122 3  712.2825444  595161404551937 3    541936 3      C-13-H3C(O)CH3
  685653.3269  0.0141 -4.3122 3  712.2825444  595161404551837 3    541836 3      C-13-H3C(O)CH3
  685653.3269  0.0141 -4.5302 3  712.2825444  595161404551837 3    541936 3      C-13-H3C(O)CH3
  685653.3269  0.0141 -4.5302 3  712.2825444  595161404551937 3    541836 3      C-13-H3C(O)CH3
  685653.3896  0.0141 -5.5150 3  712.2825444  595161404551837 4    541836 4      C-13-H3C(O)CH3
  685653.3896  0.0141 -4.1239 3  712.2825444  595161404551837 4    541936 4      C-13-H3C(O)CH3
  685653.3896  0.0141 -5.5150 3  712.2825444  595161404551937 4    541936 4      C-13-H3C(O)CH3
  685653.3896  0.0141 -4.1239 3  712.2825444  595161404551937 4    541836 4      C-13-H3C(O)CH3
  685704.4323  0.2603 -6.0589 3 1573.7685E64  595161404911081 2    91 982 2      C-13-H3C(O)CH3
  685704.4323  0.2603 -6.0589 3 1573.7685E64  595161404911181 2    911082 2      C-13-H3C(O)CH3
  685705.0859  0.2535 -6.0411 3 1573.7687E64  595161404911181 1    91 982 1      C-13-H3C(O)CH3
  685705.0859  0.2535 -6.0411 3 1573.7687E64  595161404911081 1    911082 1      C-13-H3C(O)CH3
  685705.8399  0.0273 -3.9789 3  396.1650308  595161404382612 3    372513 3      C-13-H3C(O)CH3
  685791.0553  0.0048 -4.2438 3  188.6339472  595161404291019 2    28 920 2      C-13-H3C(O)CH3
  685791.0573  0.0048 -4.2438 3  188.6339472  595161404291119 2    28 820 2      C-13-H3C(O)CH3
  685806.3804  0.0049 -4.2438 3  188.6351472  595161404291019 1    28 920 1      C-13-H3C(O)CH3
  685806.3823  0.0049 -4.2438 3  188.6351472  595161404291119 1    28 820 1      C-13-H3C(O)CH3
  685890.9219  0.0299 -3.8602 3  396.1846616  595161404382612 2    372513 2      C-13-H3C(O)CH3
  686022.7316  0.1715 -5.9740 3 1519.1446E48  595161404901081 0    90 982 0      C-13-H3C(O)CH3
  686022.7316  0.1715 -5.9740 3 1519.1446E48  59516140490 981 0    90 882 0      C-13-H3C(O)CH3
  686065.0809  0.0049 -4.2433 3  188.6346472  595161404291019 0    28 920 0      C-13-H3C(O)CH3
  686065.0828  0.0049 -4.2433 3  188.6346472  595161404291119 0    28 820 0      C-13-H3C(O)CH3
  686189.8822  0.0387 -4.3154 3  396.1599308  595161404382612 4    372513 4      C-13-H3C(O)CH3
  686234.6662  0.1794 -6.1052 3 1519.1270E48  595161404901081 2    90 882 2      C-13-H3C(O)CH3
  686234.6662  0.1794 -6.1052 3 1519.1270E48  59516140490 981 2    90 982 2      C-13-H3C(O)CH3
  686236.4189  0.1786 -6.2510 3 1519.1272E48  595161404901081 1    90 982 1      C-13-H3C(O)CH3
  686236.4189  0.1786 -6.2510 3 1519.1272E48  59516140490 981 1    90 882 1      C-13-H3C(O)CH3
  686333.9756  0.0091 -4.0597 3  806.9857572 -59516140471 171 3    70 070 3      C-13-H3C(O)CH3
  686333.9756  0.0091 -3.9827 3  806.9857572 -59516140471 071 4    70 170 4      C-13-H3C(O)CH3
  686333.9756  0.0091 -4.7069 3  806.9857572 -59516140471 071 3    70 070 3      C-13-H3C(O)CH3
  686333.9756  0.0091 -5.5643 3  806.9857572 -59516140471 171 4    70 170 4      C-13-H3C(O)CH3
  686334.0457  0.0091 -5.5643 3  806.9857572  59516140471 071 4    70 070 4      C-13-H3C(O)CH3
  686334.0457  0.0091 -3.9827 3  806.9857572  59516140471 171 4    70 070 4      C-13-H3C(O)CH3
  686334.0630  0.0091 -4.0597 3  806.9857572  59516140471 071 3    70 170 3      C-13-H3C(O)CH3
  686334.0630  0.0091 -4.7069 3  806.9857572  59516140471 171 3    70 170 3      C-13-H3C(O)CH3
  686337.1752  0.0148 -3.9680 3  806.9223B44 -59516140471 171 1    70 170 1      C-13-H3C(O)CH3
  686337.1752  0.0148 -3.9746 3  806.9223B44 -59516140471 071 1    70 170 1      C-13-H3C(O)CH3
  686337.1752  0.0148 -3.9638 3  806.9223B44 -59516140471 071 1    70 070 1      C-13-H3C(O)CH3
  686337.1752  0.0157 -4.0644 3  806.9221B44 -59516140471 171 2    70 070 2      C-13-H3C(O)CH3
  686337.1752  0.0157 -3.8947 3  806.9221B44 -59516140471 171 2    70 170 2      C-13-H3C(O)CH3
  686337.1752  0.0148 -3.9790 3  806.9223B44 -59516140471 171 1    70 070 1      C-13-H3C(O)CH3
  686337.1752  0.0157 -3.8947 3  806.9221B44 -59516140471 071 2    70 070 2      C-13-H3C(O)CH3
  686337.1752  0.0157 -4.0644 3  806.9221B44 -59516140471 071 2    70 170 2      C-13-H3C(O)CH3
  686340.3456  0.0107 -4.1991 3  806.8588B44  59516140471 071 0    70 170 0      C-13-H3C(O)CH3
  686340.3456  0.0107 -4.1991 3  806.8588B44  59516140471 171 0    70 070 0      C-13-H3C(O)CH3
  686340.4082  0.0107 -3.8225 3  806.8588B44 -59516140471 071 0    70 070 0      C-13-H3C(O)CH3
  686340.4082  0.0107 -3.8225 3  806.8588B44 -59516140471 171 0    70 170 0      C-13-H3C(O)CH3
  686448.7327  0.1584 -6.2714 3 1519.1094724  595161404901081 4    90 882 4      C-13-H3C(O)CH3
  686448.7327  0.1584 -6.2714 3 1519.1094724  59516140490 981 4    90 982 4      C-13-H3C(O)CH3
  686497.3216  0.0097 -5.0076 3  724.7787904  595161404561739 0    551838 0      C-13-H3C(O)CH3
  686497.3216  0.0097 -3.8302 3  724.7787904  595161404561739 0    551738 0      C-13-H3C(O)CH3
  686497.3216  0.0097 -5.0076 3  724.7787904  595161404561839 0    551738 0      C-13-H3C(O)CH3
  686497.3216  0.0097 -3.8302 3  724.7787904  595161404561839 0    551838 0      C-13-H3C(O)CH3
  686534.8326  0.0131 -3.9620 3  724.7635904  595161404561839 1    551738 1      C-13-H3C(O)CH3
  686534.8326  0.0131 -4.3139 3  724.7635904  595161404561839 1    551838 1      C-13-H3C(O)CH3
  686534.8326  0.0131 -4.3139 3  724.7635904  595161404561739 1    551738 1      C-13-H3C(O)CH3
  686534.8326  0.0131 -3.9620 3  724.7635904  595161404561739 1    551838 1      C-13-H3C(O)CH3
  686536.4312  0.0132 -3.8089 3  724.7632904  595161404561739 2    551838 2      C-13-H3C(O)CH3
  686536.4312  0.0132 -5.6161 3  724.7632904  595161404561739 2    551738 2      C-13-H3C(O)CH3
  686536.4312  0.0132 -3.8089 3  724.7632904  595161404561839 2    551738 2      C-13-H3C(O)CH3
  686536.4312  0.0132 -5.6161 3  724.7632904  595161404561839 2    551838 2      C-13-H3C(O)CH3
  686555.1921  0.2493 -5.2904 3  828.0982444  595161404553421 3    543520 3      C-13-H3C(O)CH3
  686564.0625  0.1325 -6.0140 3 1465.0853E32  59516140489 981 0    89 882 0      C-13-H3C(O)CH3
  686564.0625  0.1325 -6.0140 3 1465.0853E32  59516140489 881 0    89 782 0      C-13-H3C(O)CH3
  686573.9912  0.0143 -4.1844 3  724.7479452  595161404561839 3    551738 3      C-13-H3C(O)CH3
  686573.9912  0.0143 -4.8715 3  724.7479452  595161404561839 3    551838 3      C-13-H3C(O)CH3
  686573.9912  0.0143 -4.8952 3  724.7479452  595161404561739 3    551738 3      C-13-H3C(O)CH3
  686573.9912  0.0143 -4.1797 3  724.7479452  595161404561739 3    551838 3      C-13-H3C(O)CH3
  686574.0481  0.0143 -4.9179 3  724.7479452  595161404561839 4    551838 4      C-13-H3C(O)CH3
  686574.0481  0.0143 -4.9179 3  724.7479452  595161404561739 4    551738 4      C-13-H3C(O)CH3
  686574.0481  0.0143 -4.1754 3  724.7479452  595161404561739 4    551838 4      C-13-H3C(O)CH3
  686574.0481  0.0143 -4.1754 3  724.7479452  595161404561839 4    551738 4      C-13-H3C(O)CH3
  686575.5301  0.0093 -3.7639 3  789.2371A32 -59516140464 856 0    63 855 0      C-13-H3C(O)CH3
  686575.5301  0.0093 -3.7639 3  789.2371A32 -59516140464 956 0    63 955 0      C-13-H3C(O)CH3
  686575.5301  0.0093 -5.2817 3  789.2371A32 -59516140464 956 0    63 855 0      C-13-H3C(O)CH3
  686575.5301  0.0093 -5.2817 3  789.2371A32 -59516140464 856 0    63 955 0      C-13-H3C(O)CH3
  686577.1324  0.0187 -3.7519 3  789.2061A32  59516140464 956 1    63 855 1      C-13-H3C(O)CH3
  686577.1324  0.0187 -3.7519 3  789.2061A32  59516140464 856 1    63 955 1      C-13-H3C(O)CH3
  686577.5024  0.0184 -3.7517 3  789.2059A32  59516140464 956 2    63 855 2      C-13-H3C(O)CH3
  686577.5024  0.0184 -3.7517 3  789.2059A32  59516140464 856 2    63 955 2      C-13-H3C(O)CH3
  686579.0037  0.0106 -4.9499 3  789.1748516  59516140464 856 4    63 955 4      C-13-H3C(O)CH3
  686579.0037  0.0106 -4.1105 3  789.1748516  59516140464 956 4    63 955 4      C-13-H3C(O)CH3
  686579.0037  0.0106 -4.1105 3  789.1748516  59516140464 856 4    63 855 4      C-13-H3C(O)CH3
  686579.0037  0.0106 -4.9499 3  789.1748516  59516140464 956 4    63 855 4      C-13-H3C(O)CH3
  686579.0365  0.0106 -4.1694 3  789.1748516  59516140464 956 3    63 855 3      C-13-H3C(O)CH3
  686579.0365  0.0106 -4.6764 3  789.1748516  59516140464 856 3    63 855 3      C-13-H3C(O)CH3
  686579.0365  0.0106 -4.1694 3  789.1748516  59516140464 856 3    63 955 3      C-13-H3C(O)CH3
  686579.0365  0.0106 -4.6764 3  789.1748516  59516140464 956 3    63 955 3      C-13-H3C(O)CH3
  686760.6821  0.1515 -5.9459 3 1465.0602E32  59516140489 881 2    89 782 2      C-13-H3C(O)CH3
  686760.6821  0.1515 -5.9459 3 1465.0602E32  59516140489 981 2    89 882 2      C-13-H3C(O)CH3
  686762.4879  0.1594 -5.9456 3 1465.0603E32  59516140489 981 1    89 882 1      C-13-H3C(O)CH3
  686762.4879  0.1594 -5.9456 3 1465.0603E32  59516140489 881 1    89 782 1      C-13-H3C(O)CH3
  686925.1564  0.0672 -5.4040 3  945.8292952  595161404593525 0    583622 0      C-13-H3C(O)CH3
  686959.1933  0.1418 -6.2239 3 1465.0352716  59516140489 881 3    89 782 3      C-13-H3C(O)CH3
  686959.1933  0.1418 -6.2239 3 1465.0352716  59516140489 981 3    89 882 3      C-13-H3C(O)CH3
  687064.7067  0.0661 -5.3993 3  945.8320952  595161404593525 1    583622 1      C-13-H3C(O)CH3
  687087.4970  0.0671 -5.3991 3  945.8318952  595161404593525 2    583622 2      C-13-H3C(O)CH3
  687123.1014  0.0064 -4.2784 3  262.1715260  595161404321815 4    311516 4      C-13-H3C(O)CH3
  687123.8902  0.0059 -4.2784 3  262.1714260  595161404321815 3    311516 3      C-13-H3C(O)CH3
  687130.6988  0.1261 -5.8977 3 1411.5995E16  59516140488 881 0    88 682 0      C-13-H3C(O)CH3
  687130.6988  0.1261 -5.8977 3 1411.5995E16  59516140488 781 0    88 782 0      C-13-H3C(O)CH3
  687147.3665  0.1887 -5.3717 3  828.0807444  595161404553421 4    543520 4      C-13-H3C(O)CH3
  687151.7589  0.0057 -3.9775 3  262.1892520  595161404321815 2    311516 2      C-13-H3C(O)CH3
  687179.0314  0.0662 -5.6964 3  945.8362476  595161404593525 4    583622 4      C-13-H3C(O)CH3
  687190.8517  0.0056 -3.9775 3  262.1936520  595161404321815 1    311516 1      C-13-H3C(O)CH3
  687218.8265  0.0055 -3.9776 3  262.2113520  595161404321815 0    311516 0      C-13-H3C(O)CH3
  687255.8521  0.0721 -5.6947 3  945.8338476  595161404593525 3    583622 3      C-13-H3C(O)CH3
  687285.0357  0.1913 -5.8525 3 1411.5687E16  59516140488 881 2    88 682 2      C-13-H3C(O)CH3
  687285.0357  0.1913 -5.8525 3 1411.5687E16  59516140488 781 2    88 782 2      C-13-H3C(O)CH3
  687285.9027  0.2011 -6.0220 3 1411.5688E16  59516140488 781 1    88 782 1      C-13-H3C(O)CH3
  687285.9027  0.2011 -6.0220 3 1411.5688E16  59516140488 881 1    88 682 1      C-13-H3C(O)CH3
  687382.9691  0.3777 -5.9924 3 1109.3515A32  595161404643728 0    633825 0      C-13-H3C(O)CH3
  687440.2215  0.1327 -6.1620 3 1411.5379708  59516140488 881 4    88 782 4      C-13-H3C(O)CH3
  687440.2215  0.1327 -6.1620 3 1411.5379708  59516140488 781 4    88 682 4      C-13-H3C(O)CH3
  687440.2649  0.1326 -6.1572 3 1411.5379708  59516140488 781 3    88 782 3      C-13-H3C(O)CH3
  687440.2649  0.1326 -6.1572 3 1411.5379708  59516140488 881 3    88 682 3      C-13-H3C(O)CH3
  687469.6318  0.0096 -4.6640 3  736.6836920  595161404571741 0    561740 0      C-13-H3C(O)CH3
  687469.6318  0.0096 -3.8633 3  736.6836920  595161404571641 0    561740 0      C-13-H3C(O)CH3
  687469.6318  0.0096 -4.0027 3  736.6836920  595161404571641 0    561640 0      C-13-H3C(O)CH3
  687469.6318  0.0096 -4.2269 3  736.6836920  595161404571741 0    561640 0      C-13-H3C(O)CH3
  687505.0293  0.0137 -5.2149 3  736.6670920  595161404571641 1    561640 1      C-13-H3C(O)CH3
  687505.0293  0.0137 -3.8165 3  736.6670920  595161404571741 1    561640 1      C-13-H3C(O)CH3
  687505.0293  0.0137 -3.8165 3  736.6670920  595161404571641 1    561740 1      C-13-H3C(O)CH3
  687505.0293  0.0137 -5.2149 3  736.6670920  595161404571741 1    561740 1      C-13-H3C(O)CH3
  687506.2918  0.0138 -4.6535 3  736.6667920  595161404571641 2    561640 2      C-13-H3C(O)CH3
  687506.2918  0.0138 -4.6535 3  736.6667920  595161404571741 2    561740 2      C-13-H3C(O)CH3
  687506.2918  0.0138 -3.8649 3  736.6667920  595161404571641 2    561740 2      C-13-H3C(O)CH3
  687506.2918  0.0138 -3.8649 3  736.6667920  595161404571741 2    561640 2      C-13-H3C(O)CH3
  687541.7351  0.0145 -6.1203 3  736.6501460  595161404571741 3    561640 3      C-13-H3C(O)CH3
  687541.7351  0.0145 -4.1046 3  736.6501460  595161404571741 3    561740 3      C-13-H3C(O)CH3
  687541.7351  0.0145 -4.1046 3  736.6501460  595161404571641 3    561640 3      C-13-H3C(O)CH3
  687541.7351  0.0145 -6.1203 3  736.6501460  595161404571641 3    561740 3      C-13-H3C(O)CH3
  687541.7853  0.0145 -4.5255 3  736.6501460  595161404571741 4    561640 4      C-13-H3C(O)CH3
  687541.7853  0.0145 -4.3051 3  736.6501460  595161404571741 4    561740 4      C-13-H3C(O)CH3
  687541.7853  0.0145 -4.3051 3  736.6501460  595161404571641 4    561640 4      C-13-H3C(O)CH3
  687541.7853  0.0145 -4.5255 3  736.6501460  595161404571641 4    561740 4      C-13-H3C(O)CH3
  687550.8114  0.2213 -5.0186 3  828.0706888  595161404553421 2    543520 2      C-13-H3C(O)CH3
  687672.2449  0.1517 -5.0089 3  828.0687888  595161404553421 1    543520 1      C-13-H3C(O)CH3
  687709.1047  0.0098 -4.0979 3  796.1282524  59516140465 858 4    64 757 4      C-13-H3C(O)CH3
  687709.1047  0.0098 -4.0979 3  796.1282524  59516140465 758 4    64 857 4      C-13-H3C(O)CH3
  687709.1047  0.0098 -5.0072 3  796.1282524  59516140465 758 4    64 757 4      C-13-H3C(O)CH3
  687709.1047  0.0098 -5.0072 3  796.1282524  59516140465 858 4    64 857 4      C-13-H3C(O)CH3
  687709.1469  0.0098 -4.0482 3  796.1282524  59516140465 858 3    64 857 3      C-13-H3C(O)CH3
  687709.1469  0.0098 -4.0482 3  796.1282524  59516140465 758 3    64 757 3      C-13-H3C(O)CH3
  687713.5552  0.0177 -4.6256 3  796.1597A48  59516140465 858 1    64 757 1      C-13-H3C(O)CH3
  687713.5552  0.0177 -3.8080 3  796.1597A48  59516140465 858 1    64 857 1      C-13-H3C(O)CH3
  687713.5552  0.0177 -4.6256 3  796.1597A48  59516140465 758 1    64 857 1      C-13-H3C(O)CH3
  687713.5552  0.0177 -3.8080 3  796.1597A48  59516140465 758 1    64 757 1      C-13-H3C(O)CH3
  687713.9065  0.0175 -3.7479 3  796.1595A48  59516140465 858 2    64 857 2      C-13-H3C(O)CH3
  687713.9065  0.0175 -6.2343 3  796.1595A48  59516140465 858 2    64 757 2      C-13-H3C(O)CH3
  687713.9065  0.0175 -3.7479 3  796.1595A48  59516140465 758 2    64 757 2      C-13-H3C(O)CH3
  687713.9065  0.0175 -6.2343 3  796.1595A48  59516140465 758 2    64 857 2      C-13-H3C(O)CH3
  687715.5113  0.2870 -5.5959 3  922.0491468  595161404583623 4    573720 4      C-13-H3C(O)CH3
  687718.2507  0.0090 -3.7614 3  796.1909A48 -59516140465 758 0    64 757 0      C-13-H3C(O)CH3
  687718.2507  0.0090 -5.2185 3  796.1909A48 -59516140465 758 0    64 857 0      C-13-H3C(O)CH3
  687718.2507  0.0090 -5.2185 3  796.1909A48 -59516140465 858 0    64 757 0      C-13-H3C(O)CH3
  687718.2507  0.0090 -3.7614 3  796.1909A48 -59516140465 858 0    64 857 0      C-13-H3C(O)CH3
  687733.9710  0.1416 -5.8131 3 1358.6865E00  59516140487 681 0    87 682 0      C-13-H3C(O)CH3
  687733.9710  0.1416 -5.8131 3 1358.6865E00  59516140487 781 0    87 582 0      C-13-H3C(O)CH3
  687804.6362  0.0089 -4.7979 3  159.9476228  59516140428 721 4    27 522 4      C-13-H3C(O)CH3
  687804.6362  0.0089 -4.7979 3  159.9476228  59516140428 821 4    27 622 4      C-13-H3C(O)CH3
  687804.8340  0.0072 -4.7984 3  159.9475228  59516140428 721 3    27 522 3      C-13-H3C(O)CH3
  687804.8340  0.0072 -4.7984 3  159.9475228  59516140428 821 3    27 622 3      C-13-H3C(O)CH3
  687805.4733  0.3501 -6.1663 3 1034.0260984  595161404614022 2    604119 2      C-13-H3C(O)CH3
  687809.1705  0.2069 -5.8009 3 1034.0572492  595161404614022 4    604120 4      C-13-H3C(O)CH3
  687809.7767  0.2533 -6.0528 3 1358.6529E00  59516140487 681 1    87 582 1      C-13-H3C(O)CH3
  687809.7767  0.2533 -6.1674 3 1358.6529E00  59516140487 781 1    87 582 1      C-13-H3C(O)CH3
  687809.7767  0.2533 -6.1674 3 1358.6529E00  59516140487 681 1    87 682 1      C-13-H3C(O)CH3
  687809.7767  0.2533 -6.0528 3 1358.6529E00  59516140487 781 1    87 682 1      C-13-H3C(O)CH3
  687810.5869  0.2463 -5.8222 3 1358.6528E00  59516140487 781 2    87 682 2      C-13-H3C(O)CH3
  687810.5869  0.2463 -5.8222 3 1358.6528E00  59516140487 681 2    87 582 2      C-13-H3C(O)CH3
  687886.0579  0.1287 -6.1066 3 1358.6191700  59516140487 681 4    87 682 4      C-13-H3C(O)CH3
  687886.0579  0.1287 -6.1066 3 1358.6191700  59516140487 781 4    87 582 4      C-13-H3C(O)CH3
  687886.3652  0.1285 -6.1070 3 1358.6192700  59516140487 781 3    87 682 3      C-13-H3C(O)CH3
  687886.3652  0.1285 -6.1070 3 1358.6192700  59516140487 681 3    87 582 3      C-13-H3C(O)CH3
  687919.1288  0.2530 -5.9812 3 1034.0662492  595161404614022 3    604119 3      C-13-H3C(O)CH3
  687974.0125  0.2826 -6.0945 3 1034.0208984  595161404614022 1    604119 1      C-13-H3C(O)CH3
  688012.8686  0.1865 -6.1738 3 1034.0630492  595161404614022 3    604120 3      C-13-H3C(O)CH3
  688045.2790  0.4983 -5.9861 3 1109.3415A32  595161404643728 2    633825 2      C-13-H3C(O)CH3
  688074.3426  0.1792 -5.5613 3 1034.0170984  595161404614022 2    604120 2      C-13-H3C(O)CH3
  688154.7202  0.1770 -5.5810 3 1034.0148984  595161404614022 1    604120 1      C-13-H3C(O)CH3
  688156.4989  0.3509 -5.9846 3 1109.3352A32  595161404643728 1    633825 1      C-13-H3C(O)CH3
  688209.8401  0.0067 -4.5056 3  159.9291456  59516140428 821 2    27 522 2      C-13-H3C(O)CH3
  688209.8401  0.0067 -6.1456 3  159.9291456  59516140428 821 2    27 622 2      C-13-H3C(O)CH3
  688209.8401  0.0067 -6.1455 3  159.9291456  59516140428 721 2    27 522 2      C-13-H3C(O)CH3
  688209.8401  0.0067 -4.5056 3  159.9291456  59516140428 721 2    27 622 2      C-13-H3C(O)CH3
  688218.9284  0.0070 -4.5374 3  159.9298456  59516140428 821 1    27 622 1      C-13-H3C(O)CH3
  688218.9284  0.0070 -5.5362 3  159.9298456  59516140428 721 1    27 622 1      C-13-H3C(O)CH3
  688218.9284  0.0070 -4.5374 3  159.9298456  59516140428 721 1    27 522 1      C-13-H3C(O)CH3
  688218.9284  0.0070 -5.5363 3  159.9298456  59516140428 821 1    27 522 1      C-13-H3C(O)CH3
  688271.8420  0.1821 -5.4651 3 1033.9752984  595161404614022 0    604119 0      C-13-H3C(O)CH3
  688278.7419  0.1534 -5.4950 3  922.0325468  595161404583623 3    573720 3      C-13-H3C(O)CH3
  688291.2879  0.1246 -6.0801 3 1306.2809692  59516140486 681 3    86 582 3      C-13-H3C(O)CH3
  688291.2879  0.1246 -6.0801 3 1306.2809692  59516140486 581 3    86 482 3      C-13-H3C(O)CH3
  688337.7815  0.2804 -5.8994 3 1306.3130D84  59516140486 681 1    86 582 1      C-13-H3C(O)CH3
  688337.7815  0.2804 -5.8994 3 1306.3130D84  59516140486 581 1    86 482 1      C-13-H3C(O)CH3
  688340.5033  0.2770 -5.7759 3 1306.3128D84  59516140486 681 2    86 482 2      C-13-H3C(O)CH3
  688340.5033  0.2770 -5.7759 3 1306.3128D84  59516140486 581 2    86 582 2      C-13-H3C(O)CH3
  688345.3597  0.1942 -6.0203 3 1241.1988A64  595161404664720 0    654817 0      C-13-H3C(O)CH3
  688345.5077  0.1942 -6.0203 3 1241.1988A64  595161404664719 0    654818 0      C-13-H3C(O)CH3
  688350.4637  0.1656 -4.9865 3  828.0510888  595161404553421 0    543520 0      C-13-H3C(O)CH3
  688380.2939  0.1754 -6.0204 3 1241.2492A64  595161404664719 2    654817 2      C-13-H3C(O)CH3
  688386.9207  0.1539 -6.0632 3 1306.3449D84  59516140486 681 0    86 582 0      C-13-H3C(O)CH3
  688386.9207  0.1539 -6.0851 3 1306.3449D84  59516140486 581 0    86 582 0      C-13-H3C(O)CH3
  688386.9207  0.1539 -6.0632 3 1306.3449D84  59516140486 581 0    86 482 0      C-13-H3C(O)CH3
  688386.9207  0.1539 -6.0851 3 1306.3449D84  59516140486 681 0    86 482 0      C-13-H3C(O)CH3
  688448.0072  0.2091 -5.2319 3  922.0093936  595161404583623 2    573720 2      C-13-H3C(O)CH3
  688478.2837  0.0096 -5.0325 3  748.0313936  595161404581643 0    571642 0      C-13-H3C(O)CH3
  688478.2837  0.0096 -3.8231 3  748.0313936  595161404581643 0    571542 0      C-13-H3C(O)CH3
  688478.2837  0.0096 -3.8231 3  748.0313936  595161404581543 0    571642 0      C-13-H3C(O)CH3
  688478.2837  0.0096 -5.0325 3  748.0313936  595161404581543 0    571542 0      C-13-H3C(O)CH3
  688511.2548  0.0145 -3.8710 3  748.0132936  595161404581543 1    571642 1      C-13-H3C(O)CH3
  688511.2548  0.0145 -4.6021 3  748.0132936  595161404581543 1    571542 1      C-13-H3C(O)CH3
  688511.2548  0.0145 -3.8710 3  748.0132936  595161404581643 1    571542 1      C-13-H3C(O)CH3
  688511.2548  0.0145 -4.6021 3  748.0132936  595161404581643 1    571642 1      C-13-H3C(O)CH3
  688512.2534  0.0145 -3.9331 3  748.0129936  595161404581643 2    571642 2      C-13-H3C(O)CH3
  688512.2534  0.0145 -4.3674 3  748.0129936  595161404581543 2    571642 2      C-13-H3C(O)CH3
  688512.2534  0.0145 -3.9331 3  748.0129936  595161404581543 2    571542 2      C-13-H3C(O)CH3
  688512.2534  0.0145 -4.3674 3  748.0129936  595161404581643 2    571542 2      C-13-H3C(O)CH3
  688524.1903  0.1947 -6.0201 3 1241.2443A64  595161404664719 1    654817 1      C-13-H3C(O)CH3
  688545.2668  0.0144 -4.6845 3  747.9947468  595161404581643 3    571642 3      C-13-H3C(O)CH3
  688545.2668  0.0144 -4.2283 3  747.9947468  595161404581643 3    571542 3      C-13-H3C(O)CH3
  688545.2668  0.0144 -4.5115 3  747.9947468  595161404581543 3    571542 3      C-13-H3C(O)CH3
  688545.2668  0.0144 -4.3098 3  747.9947468  595161404581543 3    571642 3      C-13-H3C(O)CH3
  688545.3096  0.0145 -4.1200 3  747.9947468  595161404581543 4    571642 4      C-13-H3C(O)CH3
  688545.3096  0.0145 -5.4056 3  747.9947468  595161404581643 4    571642 4      C-13-H3C(O)CH3
  688545.3096  0.0145 -4.1200 3  747.9947468  595161404581643 4    571542 4      C-13-H3C(O)CH3
  688545.3096  0.0145 -5.4056 3  747.9947468  595161404581543 4    571542 4      C-13-H3C(O)CH3
  688556.6174  0.0049 -3.1445 3  382.8910568  5951614043533 3 0    3432 3 0      C-13-H3C(O)CH3
  688556.6174  0.0049 -3.1445 3  382.8910568  5951614043533 2 0    3432 2 0      C-13-H3C(O)CH3
  688556.6627  0.1302 -5.2237 3  922.0055936  595161404583623 1    573720 1      C-13-H3C(O)CH3
  688561.8619  0.0050 -3.1445 3  382.8314568 -5951614043533 3 2    3432 3 2      C-13-H3C(O)CH3
  688623.0919  0.0065 -4.7266 3  159.9114456  59516140428 721 0    27 622 0      C-13-H3C(O)CH3
  688623.0919  0.0065 -4.7266 3  159.9114456  59516140428 821 0    27 522 0      C-13-H3C(O)CH3
  688623.0919  0.0065 -4.8789 3  159.9114456  59516140428 721 0    27 522 0      C-13-H3C(O)CH3
  688623.0919  0.0065 -4.8789 3  159.9114456  59516140428 821 0    27 622 0      C-13-H3C(O)CH3
  688632.1161  0.1632 -6.0203 3 1241.2096A64  595161404664720 2    654818 2      C-13-H3C(O)CH3
  688634.4284  0.0053 -3.1443 3  382.8218568 -5951614043533 3 1    3432 3 1      C-13-H3C(O)CH3
  688634.7106  0.2345 -6.1731 3 1034.0662492  595161404614021 3    604119 3      C-13-H3C(O)CH3
  688640.1190  0.0075 -3.4453 3  382.7623284  5951614043533 3 4    3432 3 4      C-13-H3C(O)CH3
  688647.0348  0.1170 -6.1700 3 1254.5251684  59516140485 581 4    85 482 4      C-13-H3C(O)CH3
  688647.0348  0.1170 -6.1700 3 1254.5251684  59516140485 481 4    85 382 4      C-13-H3C(O)CH3
  688647.9325  0.1170 -6.1735 3 1254.5251684  59516140485 481 3    85 382 3      C-13-H3C(O)CH3
  688647.9325  0.1170 -6.1735 3 1254.5251684  59516140485 581 3    85 482 3      C-13-H3C(O)CH3
  688671.6700  0.1713 -6.0201 3 1241.2051A64  595161404664720 1    654818 1      C-13-H3C(O)CH3
  688728.4503  0.2026 -5.9799 3 1034.0630492  595161404614021 3    604120 3      C-13-H3C(O)CH3
  688733.5247  0.0052 -3.1442 3  382.8530568 -5951614043533 2 2    3432 2 2      C-13-H3C(O)CH3
  688794.7568  0.1732 -5.5606 3 1034.0260984  595161404614021 2    604119 2      C-13-H3C(O)CH3
  688807.0381  0.0052 -3.1441 3  382.8670568 -5951614043533 2 1    3432 2 1      C-13-H3C(O)CH3
  688811.0154  0.0073 -3.4451 3  382.7839284  5951614043533 3 3    3432 3 3      C-13-H3C(O)CH3
  688811.9959  0.0071 -3.4451 3  382.8076284  5951614043533 2 3    3432 2 3      C-13-H3C(O)CH3
  688839.4432  0.1678 -5.8000 3 1034.0721492  595161404614021 4    604119 4      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.1821 3  802.5454532 -59516140466 660 4    65 659 4      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.0472 3  802.5454532 -59516140466 660 3    65 759 3      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.1821 3  802.5454532 -59516140466 760 4    65 759 4      C-13-H3C(O)CH3
  688848.3974  0.0087 -6.0263 3  802.5454532 -59516140466 660 3    65 659 3      C-13-H3C(O)CH3
  688848.3974  0.0087 -6.0263 3  802.5454532 -59516140466 760 3    65 759 3      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.6038 3  802.5454532 -59516140466 760 4    65 659 4      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.0472 3  802.5454532 -59516140466 760 3    65 659 3      C-13-H3C(O)CH3
  688848.3974  0.0087 -4.6038 3  802.5454532 -59516140466 660 4    65 759 4      C-13-H3C(O)CH3
  688859.8319  0.0157 -3.8870 3  802.5758A64 -59516140466 660 1    65 659 1      C-13-H3C(O)CH3
  688859.8319  0.0157 -4.2878 3  802.5758A64 -59516140466 660 1    65 759 1      C-13-H3C(O)CH3
  688859.8319  0.0155 -4.0673 3  802.5755A64 -59516140466 760 2    65 659 2      C-13-H3C(O)CH3
  688859.8319  0.0157 -4.2878 3  802.5758A64 -59516140466 760 1    65 659 1      C-13-H3C(O)CH3
  688859.8319  0.0157 -3.8870 3  802.5758A64 -59516140466 760 1    65 759 1      C-13-H3C(O)CH3
  688859.8319  0.0155 -4.0673 3  802.5755A64 -59516140466 660 2    65 759 2      C-13-H3C(O)CH3
  688860.0015  0.0155 -4.0195 3  802.5755A64  59516140466 760 2    65 759 2      C-13-H3C(O)CH3
  688860.0015  0.0155 -4.0195 3  802.5755A64  59516140466 660 2    65 659 2      C-13-H3C(O)CH3
  688870.7465  0.0083 -3.9802 3  802.6058A64 -59516140466 760 0    65 759 0      C-13-H3C(O)CH3
  688870.7465  0.0083 -4.1158 3  802.6058A64 -59516140466 660 0    65 759 0      C-13-H3C(O)CH3
  688870.7465  0.0083 -5.2439 3  802.6058A64 -59516140466 760 0    65 659 0      C-13-H3C(O)CH3
  688870.7465  0.0083 -3.7556 3  802.6058A64 -59516140466 660 0    65 659 0      C-13-H3C(O)CH3
  688871.7573  0.1682 -6.0787 3 1154.0787516  595161404644420 4    634518 4      C-13-H3C(O)CH3
  688874.1985  0.2628 -5.9025 3 1254.5493D68  59516140485 481 1    85 482 1      C-13-H3C(O)CH3
  688874.1985  0.2628 -5.8864 3 1254.5493D68  59516140485 581 1    85 382 1      C-13-H3C(O)CH3
  688876.4805  0.1852 -5.7779 3 1154.0284A32  595161404644420 2    634518 2      C-13-H3C(O)CH3
  688878.2582  0.2626 -5.7752 3 1254.5489D68  59516140485 581 2    85 382 2      C-13-H3C(O)CH3
  688878.2582  0.2626 -5.7752 3 1254.5489D68  59516140485 481 2    85 482 2      C-13-H3C(O)CH3
  688892.1594  0.0119 -5.7432 3  130.6093220  59516140427 423 3    26 224 3      C-13-H3C(O)CH3
  688892.1594  0.0119 -5.4387 3  130.6093220  59516140427 423 3    26 324 3      C-13-H3C(O)CH3
  688892.1594  0.0119 -5.2724 3  130.6093220  59516140427 523 3    26 224 3      C-13-H3C(O)CH3
  688892.4191  0.0137 -5.3471 3  130.6093220  59516140427 423 4    26 224 4      C-13-H3C(O)CH3
  688892.4191  0.0137 -6.0217 3  130.6093220  59516140427 423 4    26 324 4      C-13-H3C(O)CH3
  688892.4191  0.0137 -5.3471 3  130.6093220  59516140427 523 4    26 324 4      C-13-H3C(O)CH3
  688892.4191  0.0137 -6.0217 3  130.6093220  59516140427 523 4    26 224 4      C-13-H3C(O)CH3
  688931.4054  0.2024 -5.5801 3 1034.0208984  595161404614021 1    604119 1      C-13-H3C(O)CH3
  688947.4001  0.1089 -6.2209 3 1203.3542676  59516140484 381 4    84 282 4      C-13-H3C(O)CH3
  688947.4001  0.1089 -6.2209 3 1203.3542676  59516140484 481 4    84 382 4      C-13-H3C(O)CH3
  688948.2891  0.1089 -6.0918 3 1203.3541676  59516140484 481 3    84 382 3      C-13-H3C(O)CH3
  688948.2891  0.1089 -6.0918 3 1203.3541676  59516140484 381 3    84 282 3      C-13-H3C(O)CH3
  688983.1124  0.0074 -3.4449 3  382.8291284  5951614043533 2 4    3432 2 4      C-13-H3C(O)CH3
  689014.3737  0.2105 -5.7776 3 1154.0250A32  595161404644420 1    634518 1      C-13-H3C(O)CH3
  689015.5416  0.2153 -5.7778 3 1153.9747A32  595161404644421 0    634518 0      C-13-H3C(O)CH3
  689024.2880  0.2154 -5.7778 3 1153.9747A32  595161404644420 0    634519 0      C-13-H3C(O)CH3
  689038.3180  0.1861 -5.4640 3 1033.9743984  595161404614021 0    604120 0      C-13-H3C(O)CH3
  689044.9028  0.0987 -5.1943 3  921.9729936  595161404583623 0    573720 0      C-13-H3C(O)CH3
  689063.6261  0.2321 -6.1641 3 1034.0170984  595161404614021 2    604120 2      C-13-H3C(O)CH3
  689104.3578  0.1464 -5.8623 3 1254.5731D68  59516140485 581 0    85 382 0      C-13-H3C(O)CH3
  689104.3578  0.1464 -5.8623 3 1254.5731D68  59516140485 481 0    85 482 0      C-13-H3C(O)CH3
  689112.1131  0.2399 -6.0927 3 1034.0148984  595161404614021 1    604120 1      C-13-H3C(O)CH3
  689183.3007  0.1220 -6.2268 3 1152.7705668  59516140483 281 4    83 182 4      C-13-H3C(O)CH3
  689183.3007  0.1220 -6.2268 3 1152.7705668  59516140483 381 4    83 282 4      C-13-H3C(O)CH3
  689196.4868  0.1612 -6.0798 3 1154.0552516  595161404644421 3    634519 3      C-13-H3C(O)CH3
  689233.4360  0.1505 -6.0799 3 1154.0566516  595161404644420 3    634518 3      C-13-H3C(O)CH3
  689238.7361  0.1764 -5.7778 3 1154.0063A32  595161404644421 2    634519 2      C-13-H3C(O)CH3
  689340.4217  0.2012 -5.7775 3 1154.0016A32  595161404644421 1    634519 1      C-13-H3C(O)CH3
  689377.4729  0.1303 -5.5401 3  916.6874468  595161404583524 4    573621 4      C-13-H3C(O)CH3
  689423.9671  0.1960 -6.1859 3 1203.3617D52  59516140484 381 1    84 282 1      C-13-H3C(O)CH3
  689423.9671  0.1960 -5.9886 3 1203.3617D52  59516140484 481 1    84 282 1      C-13-H3C(O)CH3
  689423.9671  0.1960 -5.9886 3 1203.3617D52  59516140484 381 1    84 382 1      C-13-H3C(O)CH3
  689423.9671  0.1960 -6.1859 3 1203.3617D52  59516140484 481 1    84 382 1      C-13-H3C(O)CH3
  689427.6230  0.1984 -5.8642 3 1203.3613D52  59516140484 381 2    84 382 2      C-13-H3C(O)CH3
  689427.6230  0.1984 -5.8642 3 1203.3613D52  59516140484 481 2    84 282 2      C-13-H3C(O)CH3
  689486.4432  0.0140 -5.4267 3  130.5637440  59516140427 523 2    26 224 2      C-13-H3C(O)CH3
  689486.4432  0.0140 -5.4267 3  130.5637440  59516140427 423 2    26 324 2      C-13-H3C(O)CH3
  689486.4432  0.0140 -5.1437 3  130.5637440  59516140427 423 2    26 224 2      C-13-H3C(O)CH3
  689486.4432  0.0140 -5.1437 3  130.5637440  59516140427 523 2    26 324 2      C-13-H3C(O)CH3
  689490.5099  0.0145 -5.1204 3  130.5642440  59516140427 423 1    26 324 1      C-13-H3C(O)CH3
  689490.5099  0.0145 -5.4758 3  130.5642440  59516140427 423 1    26 224 1      C-13-H3C(O)CH3
  689490.5099  0.0145 -5.4758 3  130.5642440  59516140427 523 1    26 324 1      C-13-H3C(O)CH3
  689490.5099  0.0145 -5.1204 3  130.5642440  59516140427 523 1    26 224 1      C-13-H3C(O)CH3
  689515.5282  0.0095 -3.8121 3  758.8261952  595161404591545 0    581544 0      C-13-H3C(O)CH3
  689515.5282  0.0095 -5.2049 3  758.8261952  595161404591445 0    581544 0      C-13-H3C(O)CH3
  689515.5282  0.0095 -5.2049 3  758.8261952  595161404591545 0    581444 0      C-13-H3C(O)CH3
  689515.5282  0.0095 -3.8121 3  758.8261952  595161404591445 0    581444 0      C-13-H3C(O)CH3
  689545.7034  0.0154 -4.6341 3  758.8062952  595161404591545 1    581544 1      C-13-H3C(O)CH3
  689545.7034  0.0154 -3.8628 3  758.8062952  595161404591545 1    581444 1      C-13-H3C(O)CH3
  689545.7034  0.0154 -3.8628 3  758.8062952  595161404591445 1    581544 1      C-13-H3C(O)CH3
  689545.7034  0.0154 -4.6341 3  758.8062952  595161404591445 1    581444 1      C-13-H3C(O)CH3
  689546.4952  0.0153 -3.7949 3  758.8059952  595161404591445 2    581444 2      C-13-H3C(O)CH3
  689546.4952  0.0153 -3.7949 3  758.8059952  595161404591545 2    581544 2      C-13-H3C(O)CH3
  689555.0432  0.0763 -5.5316 3  916.6820468  595161404583524 3    573621 3      C-13-H3C(O)CH3
  689559.6748  0.1620 -6.0784 3 1154.0332516  595161404644421 4    634519 4      C-13-H3C(O)CH3
  689576.7093  0.0143 -4.3388 3  758.7860476  595161404591545 3    581544 3      C-13-H3C(O)CH3
  689576.7093  0.0143 -4.3388 3  758.7860476  595161404591445 3    581444 3      C-13-H3C(O)CH3
  689576.7093  0.0143 -4.4639 3  758.7860476  595161404591445 3    581544 3      C-13-H3C(O)CH3
  689576.7093  0.0143 -4.4639 3  758.7860476  595161404591545 3    581444 3      C-13-H3C(O)CH3
  689576.7439  0.0143 -4.1346 3  758.7860476  595161404591545 4    581544 4      C-13-H3C(O)CH3
  689576.7439  0.0143 -4.1346 3  758.7860476  595161404591445 4    581444 4      C-13-H3C(O)CH3
  689576.7439  0.0143 -5.1649 3  758.7860476  595161404591545 4    581444 4      C-13-H3C(O)CH3
  689576.7439  0.0143 -5.1649 3  758.7860476  595161404591445 4    581544 4      C-13-H3C(O)CH3
  689667.9679  0.0967 -5.2354 3  916.6689936  595161404583524 2    573621 2      C-13-H3C(O)CH3
  689684.8686  0.0692 -5.2353 3  916.6682936  595161404583524 1    573621 1      C-13-H3C(O)CH3
  689881.2582  0.0579 -5.2360 3  916.6528936  595161404583524 0    573621 0      C-13-H3C(O)CH3
  689902.8708  0.1184 -5.8439 3 1203.3689D52  59516140484 481 0    84 282 0      C-13-H3C(O)CH3
  689902.8708  0.1184 -5.8439 3 1203.3689D52  59516140484 381 0    84 382 0      C-13-H3C(O)CH3
  689992.6551  0.1827 -5.8777 3 1152.7498D36  59516140483 281 2    83 182 2      C-13-H3C(O)CH3
  689992.6551  0.1827 -5.8777 3 1152.7498D36  59516140483 381 2    83 282 2      C-13-H3C(O)CH3
  689992.7278  0.1749 -5.9880 3 1152.7503D36  59516140483 381 1    83 282 1      C-13-H3C(O)CH3
  689992.7278  0.1749 -5.9880 3 1152.7503D36  59516140483 281 1    83 182 1      C-13-H3C(O)CH3
  689997.8993  0.0075 -4.2004 3  808.4278540  59516140467 662 4    66 561 4      C-13-H3C(O)CH3
  689997.8993  0.0075 -4.5415 3  808.4278540  59516140467 662 4    66 661 4      C-13-H3C(O)CH3
  689997.8993  0.0075 -4.2004 3  808.4278540  59516140467 562 4    66 661 4      C-13-H3C(O)CH3
  689997.8993  0.0075 -4.5415 3  808.4278540  59516140467 562 4    66 561 4      C-13-H3C(O)CH3
  689997.9477  0.0075 -4.2035 3  808.4279540  59516140467 562 3    66 661 3      C-13-H3C(O)CH3
  689997.9477  0.0075 -4.5350 3  808.4279540  59516140467 662 3    66 661 3      C-13-H3C(O)CH3
  689997.9477  0.0075 -4.2035 3  808.4279540  59516140467 662 3    66 561 3      C-13-H3C(O)CH3
  689997.9477  0.0075 -4.5350 3  808.4279540  59516140467 562 3    66 561 3      C-13-H3C(O)CH3
  690014.9519  0.0127 -5.0124 3  808.4551A80 -59516140467 562 1    66 561 1      C-13-H3C(O)CH3
  690014.9519  0.0125 -4.1746 3  808.4548A80 -59516140467 562 2    66 561 2      C-13-H3C(O)CH3
  690014.9519  0.0125 -4.1746 3  808.4548A80 -59516140467 662 2    66 661 2      C-13-H3C(O)CH3
  690014.9519  0.0127 -3.7599 3  808.4551A80 -59516140467 662 1    66 561 1      C-13-H3C(O)CH3
  690014.9860  0.0127 -3.7599 3  808.4551A80  59516140467 562 1    66 661 1      C-13-H3C(O)CH3
  690014.9860  0.0127 -5.0124 3  808.4551A80  59516140467 662 1    66 661 1      C-13-H3C(O)CH3
  690015.2530  0.0125 -3.9332 3  808.4548A80  59516140467 662 2    66 561 2      C-13-H3C(O)CH3
  690015.2530  0.0125 -3.9332 3  808.4548A80  59516140467 562 2    66 661 2      C-13-H3C(O)CH3
  690032.1353  0.0072 -3.9934 3  808.4820A80 -59516140467 662 0    66 661 0      C-13-H3C(O)CH3
  690032.1353  0.0072 -3.9934 3  808.4820A80 -59516140467 562 0    66 561 0      C-13-H3C(O)CH3
  690032.2837  0.0072 -4.0863 3  808.4820A80  59516140467 562 0    66 661 0      C-13-H3C(O)CH3
  690032.2837  0.0072 -4.0863 3  808.4820A80  59516140467 662 0    66 561 0      C-13-H3C(O)CH3
  690034.3863  0.1652 -6.2704 3 1332.2535A96  595161404685019 0    675116 0      C-13-H3C(O)CH3
  690034.3881  0.1652 -6.2704 3 1332.2535A96  595161404685018 0    675117 0      C-13-H3C(O)CH3
  690083.4471  0.0133 -4.9635 3  130.5186440  59516140427 423 0    26 224 0      C-13-H3C(O)CH3
  690083.4471  0.0133 -4.9635 3  130.5186440  59516140427 523 0    26 324 0      C-13-H3C(O)CH3
  690193.3005  0.1882 -6.2705 3 1332.2924A96  595161404685018 2    675116 2      C-13-H3C(O)CH3
  690273.3274  0.1679 -6.2703 3 1332.2398A96  595161404685019 1    675117 1      C-13-H3C(O)CH3
  690277.9597  0.0041 -3.2147 3  386.9392584 -5951614043631 5 0    3530 6 0      C-13-H3C(O)CH3
  690277.9597  0.0041 -3.2147 3  386.9392584 -5951614043631 6 0    3530 5 0      C-13-H3C(O)CH3
  690284.2980  0.0043 -3.2148 3  386.9028584 -5951614043631 6 2    3530 6 2      C-13-H3C(O)CH3
  690303.9725  0.1816 -6.2703 3 1332.2863A96  595161404685018 1    675116 1      C-13-H3C(O)CH3
  690304.9967  0.0044 -3.2147 3  386.8844584 -5951614043631 6 1    3530 6 1      C-13-H3C(O)CH3
  690309.2326  0.1577 -6.2705 3 1332.2433A96  595161404685019 2    675117 2      C-13-H3C(O)CH3
  690312.2235  0.0057 -3.5158 3  386.8479292  5951614043631 6 4    3530 6 4      C-13-H3C(O)CH3
  690403.9251  0.0044 -3.2146 3  386.9125584 -5951614043631 5 2    3530 5 2      C-13-H3C(O)CH3
  690431.5490  0.0059 -3.5156 3  386.8577292  5951614043631 6 3    3530 6 3      C-13-H3C(O)CH3
  690471.7908  0.0044 -3.2144 3  386.9092584 -5951614043631 5 1    3530 5 1      C-13-H3C(O)CH3
  690478.7245  0.0058 -3.5155 3  386.8729292  5951614043631 5 3    3530 5 3      C-13-H3C(O)CH3
  690575.9024  0.0094 -4.3795 3  769.0716968  595161404601347 0    591446 0      C-13-H3C(O)CH3
  690575.9024  0.0094 -3.9229 3  769.0716968  595161404601347 0    591346 0      C-13-H3C(O)CH3
  690575.9024  0.0094 -4.3795 3  769.0716968  595161404601447 0    591346 0      C-13-H3C(O)CH3
  690575.9024  0.0094 -3.9229 3  769.0716968  595161404601447 0    591446 0      C-13-H3C(O)CH3
  690577.6824  0.4203 -6.1431 3 1102.7144D20  59516140482 181 2    82 082 2      C-13-H3C(O)CH3
  690577.6824  0.4203 -6.1431 3 1102.7144D20  59516140482 281 2    82 182 2      C-13-H3C(O)CH3
  690579.8635  0.0116 -3.7320 3  388.4124616  595161404382414 2    372315 2      C-13-H3C(O)CH3
  690586.8599  0.4056 -6.0552 3 1102.7145D20  59516140482 181 1    82 082 1      C-13-H3C(O)CH3
  690586.8599  0.4056 -6.0552 3 1102.7145D20  59516140482 281 1    82 182 1      C-13-H3C(O)CH3
  690597.4455  0.0063 -3.5154 3  386.8826292  5951614043631 5 4    3530 5 4      C-13-H3C(O)CH3
  690602.8521  0.0164 -3.9289 3  769.0497968  595161404601347 1    591446 1      C-13-H3C(O)CH3
  690602.8521  0.0164 -3.9289 3  769.0497968  595161404601447 1    591346 1      C-13-H3C(O)CH3
  690602.8521  0.0164 -4.3628 3  769.0497968  595161404601447 1    591446 1      C-13-H3C(O)CH3
  690602.8521  0.0164 -4.3628 3  769.0497968  595161404601347 1    591346 1      C-13-H3C(O)CH3
  690603.4849  0.0163 -4.0182 3  769.0495968  595161404601447 2    591346 2      C-13-H3C(O)CH3
  690603.4849  0.0163 -4.1851 3  769.0495968  595161404601447 2    591446 2      C-13-H3C(O)CH3
  690603.4849  0.0163 -4.0182 3  769.0495968  595161404601347 2    591446 2      C-13-H3C(O)CH3
  690603.4849  0.0163 -4.1851 3  769.0495968  595161404601347 2    591346 2      C-13-H3C(O)CH3
  690630.4695  0.0141 -4.8528 3  769.0276484  595161404601447 3    591346 3      C-13-H3C(O)CH3
  690630.4695  0.0141 -4.1768 3  769.0276484  595161404601447 3    591446 3      C-13-H3C(O)CH3
  690630.4695  0.0141 -4.1768 3  769.0276484  595161404601347 3    591346 3      C-13-H3C(O)CH3
  690630.4695  0.0141 -4.8528 3  769.0276484  595161404601347 3    591446 3      C-13-H3C(O)CH3
  690630.4950  0.0141 -4.6618 3  769.0275484  595161404601347 4    591446 4      C-13-H3C(O)CH3
  690630.4950  0.0141 -4.2306 3  769.0275484  595161404601347 4    591346 4      C-13-H3C(O)CH3
  690630.4950  0.0141 -4.6618 3  769.0275484  595161404601447 4    591346 4      C-13-H3C(O)CH3
  690630.4950  0.0141 -4.2306 3  769.0275484  595161404601447 4    591446 4      C-13-H3C(O)CH3
  690632.9017  0.0143 -4.0328 3  388.3919308  595161404382414 3    372315 3      C-13-H3C(O)CH3
  690648.9602  0.0081 -3.7330 3  388.4361616 -595161404382414 0    372315 0      C-13-H3C(O)CH3
  690650.0578  0.0123 -4.0336 3  388.3916308  595161404382414 4    372315 4      C-13-H3C(O)CH3
  690705.3331  0.1154 -6.1739 3  921.9494468  595161404583623 4    573721 4      C-13-H3C(O)CH3
  690709.2817  0.0089 -3.7332 3  388.4156616  595161404382414 1    372315 1      C-13-H3C(O)CH3
  690800.7735  0.1304 -5.9578 3 1152.7297D36  59516140483 281 0    83 182 0      C-13-H3C(O)CH3
  690800.7735  0.1304 -5.9578 3 1152.7297D36  59516140483 381 0    83 282 0      C-13-H3C(O)CH3
  690803.2690  0.1228 -6.2683 3  921.9307936  595161404583623 2    573721 2      C-13-H3C(O)CH3
  690940.3550  0.0453 -5.8667 3  400.5783308  595161404382712 4    372611 4      C-13-H3C(O)CH3
  691156.7088  0.0062 -4.0595 3  813.7771548  59516140468 564 4    67 463 4      C-13-H3C(O)CH3
  691156.7088  0.0062 -5.2341 3  813.7771548  59516140468 464 4    67 463 4      C-13-H3C(O)CH3
  691156.7088  0.0062 -5.2341 3  813.7771548  59516140468 564 4    67 563 4      C-13-H3C(O)CH3
  691156.7088  0.0062 -4.0595 3  813.7771548  59516140468 464 4    67 563 4      C-13-H3C(O)CH3
  691156.7495  0.0062 -5.2208 3  813.7770548  59516140468 564 3    67 563 3      C-13-H3C(O)CH3
  691156.7495  0.0062 -5.2208 3  813.7770548  59516140468 464 3    67 463 3      C-13-H3C(O)CH3
  691156.7495  0.0062 -4.0604 3  813.7770548  59516140468 464 3    67 563 3      C-13-H3C(O)CH3
  691156.7495  0.0062 -4.0604 3  813.7770548  59516140468 564 3    67 463 3      C-13-H3C(O)CH3
  691177.6579  0.0091 -6.0202 3  813.7980A96 -59516140468 564 2    67 463 2      C-13-H3C(O)CH3
  691177.6579  0.0092 -3.7934 3  813.7983A96 -59516140468 564 1    67 463 1      C-13-H3C(O)CH3
  691177.6579  0.0092 -4.5997 3  813.7983A96 -59516140468 464 1    67 463 1      C-13-H3C(O)CH3
  691177.6579  0.0091 -3.7326 3  813.7980A96 -59516140468 464 2    67 463 2      C-13-H3C(O)CH3
  691179.0215  0.0092 -3.7934 3  813.7983A96  59516140468 464 1    67 563 1      C-13-H3C(O)CH3
  691179.0215  0.0092 -4.5997 3  813.7983A96  59516140468 564 1    67 563 1      C-13-H3C(O)CH3
  691179.1991  0.0091 -6.0202 3  813.7980A96  59516140468 464 2    67 563 2      C-13-H3C(O)CH3
  691179.1991  0.0091 -3.7326 3  813.7980A96  59516140468 564 2    67 563 2      C-13-H3C(O)CH3
  691201.3299  0.0060 -5.3004 3  813.8192A96 -59516140468 564 0    67 463 0      C-13-H3C(O)CH3
  691201.3299  0.0060 -3.7422 3  813.8192A96 -59516140468 464 0    67 463 0      C-13-H3C(O)CH3
  691201.4531  0.0060 -5.3004 3  813.8192A96  59516140468 464 0    67 563 0      C-13-H3C(O)CH3
  691201.4531  0.0060 -3.7422 3  813.8192A96  59516140468 564 0    67 563 0      C-13-H3C(O)CH3
  691236.3151  0.0387 -5.2597 3  400.5974616  595161404382712 2    372611 2      C-13-H3C(O)CH3
  691284.7177  0.0104 -5.1984 3  203.1751228  595161404281810 3    271513 3      C-13-H3C(O)CH3
  691289.4819  0.0086 -4.8946 3  203.1827456  595161404281810 2    271513 2      C-13-H3C(O)CH3
  691290.0989  0.0096 -5.1992 3  203.1751228  595161404281810 4    271513 4      C-13-H3C(O)CH3
  691366.9439  0.0086 -4.8973 3  203.1877456  595161404281810 1    271513 1      C-13-H3C(O)CH3
  691368.8682  0.0082 -4.8941 3  203.1953456  595161404281810 0    271513 0      C-13-H3C(O)CH3
  691571.9080  0.0232 -4.5727 3  400.5793616 -595161404382712 1    372611 1      C-13-H3C(O)CH3
  691598.1427  0.0046 -3.3046 3  392.7097600 -5951614043729 9 1    3628 9 1      C-13-H3C(O)CH3
  691598.1427  0.0039 -3.3044 3  392.7491600 -5951614043729 9 0    3628 8 0      C-13-H3C(O)CH3
  691598.1427  0.0039 -3.3044 3  392.7491600 -5951614043729 8 0    3628 9 0      C-13-H3C(O)CH3
  691628.3244  0.0044 -3.3045 3  392.7260600 -5951614043729 9 2    3628 9 2      C-13-H3C(O)CH3
  691629.4882  0.0057 -3.6056 3  392.6864300  5951614043729 9 4    3628 9 4      C-13-H3C(O)CH3
  691631.0379  0.0068 -3.9833 3  285.0510536  595161404332014 1    321715 1      C-13-H3C(O)CH3
  691636.0725  0.0444 -5.0491 3  400.5689308  595161404382712 3    372611 3      C-13-H3C(O)CH3
  691651.0235  0.0061 -4.2845 3  285.0259268  595161404332014 4    321715 4      C-13-H3C(O)CH3
  691655.5092  0.0094 -5.3782 3  778.7704984  595161404611249 0    601348 0      C-13-H3C(O)CH3
  691655.5092  0.0094 -3.8019 3  778.7704984  595161404611249 0    601248 0      C-13-H3C(O)CH3
  691655.5092  0.0094 -5.3782 3  778.7704984  595161404611349 0    601248 0      C-13-H3C(O)CH3
  691655.5092  0.0094 -3.8019 3  778.7704984  595161404611349 0    601348 0      C-13-H3C(O)CH3
  691655.9693  0.0067 -4.2845 3  285.0258268  595161404332014 3    321715 3      C-13-H3C(O)CH3
  691672.0795  0.0072 -3.9839 3  285.0690536  595161404332014 0    321715 0      C-13-H3C(O)CH3
  691678.7435  0.0175 -4.5399 3  778.7465984  595161404611249 1    601248 1      C-13-H3C(O)CH3
  691678.7435  0.0175 -3.8756 3  778.7465984  595161404611249 1    601348 1      C-13-H3C(O)CH3
  691678.7435  0.0175 -3.8756 3  778.7465984  595161404611349 1    601248 1      C-13-H3C(O)CH3
  691678.7435  0.0175 -4.5399 3  778.7465984  595161404611349 1    601348 1      C-13-H3C(O)CH3
  691679.2585  0.0174 -3.8803 3  778.7463984  595161404611349 2    601348 2      C-13-H3C(O)CH3
  691679.2585  0.0174 -4.5188 3  778.7463984  595161404611349 2    601248 2      C-13-H3C(O)CH3
  691679.2585  0.0174 -4.5188 3  778.7463984  595161404611249 2    601348 2      C-13-H3C(O)CH3
  691679.2585  0.0174 -3.8803 3  778.7463984  595161404611249 2    601248 2      C-13-H3C(O)CH3
  691697.2472  0.0068 -3.9841 3  285.0437536  595161404332014 2    321715 2      C-13-H3C(O)CH3
  691702.5239  0.0138 -4.1640 3  778.7223492  595161404611349 3    601248 3      C-13-H3C(O)CH3
  691702.5239  0.0138 -4.9044 3  778.7223492  595161404611349 3    601348 3      C-13-H3C(O)CH3
  691702.5239  0.0138 -4.1640 3  778.7223492  595161404611249 3    601348 3      C-13-H3C(O)CH3
  691702.5239  0.0138 -4.9044 3  778.7223492  595161404611249 3    601248 3      C-13-H3C(O)CH3
  691702.5394  0.0138 -4.7960 3  778.7223492  595161404611249 4    601348 4      C-13-H3C(O)CH3
  691702.5394  0.0138 -4.1870 3  778.7223492  595161404611249 4    601248 4      C-13-H3C(O)CH3
  691702.5394  0.0138 -4.1870 3  778.7223492  595161404611349 4    601348 4      C-13-H3C(O)CH3
  691702.5394  0.0138 -4.7960 3  778.7223492  595161404611349 4    601248 4      C-13-H3C(O)CH3
  691709.2174  0.0041 -3.3045 3  392.7380600 -5951614043729 8 2    3628 8 2      C-13-H3C(O)CH3
  691710.7470  0.0054 -3.6057 3  392.6984300  5951614043729 9 3    3628 9 3      C-13-H3C(O)CH3
  691746.0543  0.0040 -3.3043 3  392.7223600 -5951614043729 8 1    3628 8 1      C-13-H3C(O)CH3
  691777.5988  0.0052 -3.6054 3  392.6991300  5951614043729 8 3    3628 8 3      C-13-H3C(O)CH3
  691796.9887  0.0044 -3.4316 3  400.5998616 -595161404382712 0    372611 0      C-13-H3C(O)CH3
  691817.9687  0.2743 -6.2486 3 1102.6522D20  59516140482 281 0    82 082 0      C-13-H3C(O)CH3
  691857.9982  0.0053 -3.6055 3  392.7111300  5951614043729 8 4    3628 8 4      C-13-H3C(O)CH3
  691859.8956  0.0152 -4.2751 3  272.1984520  595161404322112 1    311813 1      C-13-H3C(O)CH3
  691885.9402  0.0052 -3.4642 3  400.5688616 -595161404382712 1    372612 1      C-13-H3C(O)CH3
  691919.6694  0.0086 -3.8643 3  663.9341824 -595161404512428 0    502327 0      C-13-H3C(O)CH3
  691919.6694  0.0086 -3.8643 3  663.9341824 -595161404512328 0    502427 0      C-13-H3C(O)CH3
  691936.6790  0.0058 -3.7356 3  400.5451308  595161404382712 4    372612 4      C-13-H3C(O)CH3
  691950.7433  0.0049 -3.4377 3  400.5736616 -595161404382712 2    372612 2      C-13-H3C(O)CH3
  691951.8155  0.0059 -4.4349 3  211.5013244  595161404301218 4    291119 4      C-13-H3C(O)CH3
  691951.9770  0.0059 -4.4349 3  211.5013244  595161404301318 4    291019 4      C-13-H3C(O)CH3
  691952.1211  0.0049 -4.4349 3  211.5013244  595161404301218 3    291119 3      C-13-H3C(O)CH3
  691952.2836  0.0049 -4.4349 3  211.5013244  595161404301318 3    291019 3      C-13-H3C(O)CH3
  691966.6557  0.0102 -3.8643 3  663.9233824  595161404512328 1    502427 1      C-13-H3C(O)CH3
  691966.7809  0.0102 -3.8643 3  663.9233824  595161404512428 1    502327 1      C-13-H3C(O)CH3
  691973.9085  0.0110 -3.8643 3  663.9223824  595161404512328 2    502427 2      C-13-H3C(O)CH3
  691974.0346  0.0110 -3.8643 3  663.9223824  595161404512428 2    502327 2      C-13-H3C(O)CH3
  691976.3808  0.0044 -3.4314 3  400.5956616  595161404382711 0    372612 0      C-13-H3C(O)CH3
  691983.9726  0.0169 -4.5763 3  272.1736260  595161404322112 4    311813 4      C-13-H3C(O)CH3
  691985.2059  0.0177 -4.5775 3  272.1733260  595161404322112 3    311813 3      C-13-H3C(O)CH3
  691991.4496  0.0046 -3.4642 3  400.5793616 -595161404382711 1    372611 1      C-13-H3C(O)CH3
  691997.8003  0.0058 -3.7542 3  400.5689308  595161404382711 3    372611 3      C-13-H3C(O)CH3
  692012.6015  0.0047 -3.4380 3  400.5974616 -595161404382711 2    372611 2      C-13-H3C(O)CH3
  692021.0726  0.0125 -4.1653 3  663.9115412  595161404512328 3    502427 3      C-13-H3C(O)CH3
  692021.1586  0.0125 -4.1653 3  663.9115412  595161404512328 4    502427 4      C-13-H3C(O)CH3
  692021.2134  0.0125 -4.1653 3  663.9115412  595161404512428 3    502327 3      C-13-H3C(O)CH3
  692021.2984  0.0125 -4.1653 3  663.9115412  595161404512428 4    502327 4      C-13-H3C(O)CH3
  692070.3233  0.0054 -3.7537 3  400.5545308  595161404382712 3    372612 3      C-13-H3C(O)CH3
  692087.5813  0.0080 -3.8830 3  647.7982808  595161404502426 0    492525 0      C-13-H3C(O)CH3
  692093.0757  0.0080 -3.8830 3  647.7980808  595161404502526 0    492425 0      C-13-H3C(O)CH3
  692124.2335  0.0045 -5.8722 3  410.8620632  595161404392515 2    382415 2      C-13-H3C(O)CH3
  692131.6409  0.0051 -3.7358 3  400.5783308  595161404382711 4    372611 4      C-13-H3C(O)CH3
  692131.8266  0.0047 -4.1336 3  211.5094488  595161404301218 2    291119 2      C-13-H3C(O)CH3
  692131.9911  0.0047 -4.1336 3  211.5094488  595161404301318 2    291019 2      C-13-H3C(O)CH3
  692136.0300  0.0095 -3.8831 3  647.7869808  595161404502426 1    492525 1      C-13-H3C(O)CH3
  692141.9245  0.0094 -3.8830 3  647.7867808  595161404502526 1    492425 1      C-13-H3C(O)CH3
  692144.7934  0.0046 -5.8856 3  410.8418316  595161404392515 4    382415 4      C-13-H3C(O)CH3
  692146.5986  0.0104 -3.8831 3  647.7853808  595161404502426 2    492525 2      C-13-H3C(O)CH3
  692152.4254  0.0047 -4.1337 3  211.5112488  595161404301218 1    291119 1      C-13-H3C(O)CH3
  692152.5778  0.0103 -3.8830 3  647.7852808  595161404502526 2    492425 2      C-13-H3C(O)CH3
  692152.5813  0.0047 -4.1337 3  211.5112488  595161404301318 1    291019 1      C-13-H3C(O)CH3
  692178.6778  0.0091 -3.8516 3  679.4014840 -595161404522230 0    512329 0      C-13-H3C(O)CH3
  692178.6778  0.0091 -3.8516 3  679.4014840 -595161404522330 0    512229 0      C-13-H3C(O)CH3
  692195.0893  0.0117 -4.1842 3  647.7740404  595161404502426 3    492525 3      C-13-H3C(O)CH3
  692195.1879  0.0117 -4.1842 3  647.7740404  595161404502426 4    492525 4      C-13-H3C(O)CH3
  692201.5061  0.0117 -4.1841 3  647.7739404  595161404502526 3    492425 3      C-13-H3C(O)CH3
  692201.5776  0.0117 -4.1841 3  647.7738404  595161404502526 4    492425 4      C-13-H3C(O)CH3
  692224.3768  0.0109 -3.8516 3  679.3907840  595161404522230 1    512329 1      C-13-H3C(O)CH3
  692224.3789  0.0109 -3.8516 3  679.3907840  595161404522330 1    512229 1      C-13-H3C(O)CH3
  692229.6106  0.0116 -3.8516 3  679.3900840  595161404522230 2    512329 2      C-13-H3C(O)CH3
  692229.6126  0.0116 -3.8516 3  679.3900840  595161404522330 2    512229 2      C-13-H3C(O)CH3
  692242.7364  0.0139 -4.2775 3  272.2078520  595161404322112 0    311813 0      C-13-H3C(O)CH3
  692275.4966  0.0132 -4.1526 3  679.3794420  595161404522230 3    512329 3      C-13-H3C(O)CH3
  692275.4990  0.0132 -4.1526 3  679.3794420  595161404522330 3    512229 3      C-13-H3C(O)CH3
  692275.5799  0.0132 -4.1526 3  679.3793420  595161404522230 4    512329 4      C-13-H3C(O)CH3
  692275.5822  0.0132 -4.1526 3  679.3793420  595161404522330 4    512229 4      C-13-H3C(O)CH3
  692305.2397  0.0240 -4.5720 3  400.5688616 -595161404382711 1    372612 1      C-13-H3C(O)CH3
  692325.7941  0.0051 -4.0476 3  818.5947556  59516140469 466 4    68 465 4      C-13-H3C(O)CH3
  692325.7941  0.0051 -5.3161 3  818.5947556  59516140469 366 4    68 465 4      C-13-H3C(O)CH3
  692325.8176  0.0051 -4.3502 3  818.5947556  59516140469 466 3    68 465 3      C-13-H3C(O)CH3
  692325.8176  0.0051 -4.3028 3  818.5947556  59516140469 366 3    68 465 3      C-13-H3C(O)CH3
  692325.8624  0.0051 -5.3161 3  818.5947556 -59516140469 466 4    68 365 4      C-13-H3C(O)CH3
  692325.8624  0.0051 -4.3502 3  818.5947556 -59516140469 366 3    68 365 3      C-13-H3C(O)CH3
  692325.8624  0.0051 -4.3028 3  818.5947556 -59516140469 466 3    68 365 3      C-13-H3C(O)CH3
  692325.8624  0.0051 -4.0476 3  818.5947556 -59516140469 366 4    68 365 4      C-13-H3C(O)CH3
  692331.8045  0.0047 -4.1333 3  211.5192488  595161404301218 0    291119 0      C-13-H3C(O)CH3
  692331.9625  0.0047 -4.1333 3  211.5192488  595161404301318 0    291019 0      C-13-H3C(O)CH3
  692351.3259  0.0072 -4.6179 3  818.6059B12  59516140469 366 1    68 465 1      C-13-H3C(O)CH3
  692351.3259  0.0072 -4.6179 3  818.6059B12  59516140469 466 1    68 365 1      C-13-H3C(O)CH3
  692351.3836  0.0073 -5.0869 3  818.6055B12  59516140469 466 2    68 465 2      C-13-H3C(O)CH3
  692351.3836  0.0073 -5.0869 3  818.6055B12  59516140469 366 2    68 365 2      C-13-H3C(O)CH3
  692351.4605  0.0072 -3.7831 3  818.6059B12 -59516140469 366 1    68 365 1      C-13-H3C(O)CH3
  692351.4605  0.0073 -3.7431 3  818.6055B12 -59516140469 466 2    68 365 2      C-13-H3C(O)CH3
  692351.4605  0.0073 -3.7431 3  818.6055B12 -59516140469 366 2    68 465 2      C-13-H3C(O)CH3
  692351.4605  0.0072 -3.7831 3  818.6059B12 -59516140469 466 1    68 465 1      C-13-H3C(O)CH3
  692376.8093  0.0054 -3.7649 3  818.6167B12 -59516140469 366 0    68 365 0      C-13-H3C(O)CH3
  692376.8093  0.0054 -4.7683 3  818.6167B12 -59516140469 466 0    68 365 0      C-13-H3C(O)CH3
  692376.8607  0.0054 -4.7683 3  818.6167B12  59516140469 366 0    68 465 0      C-13-H3C(O)CH3
  692376.8607  0.0054 -3.7649 3  818.6167B12  59516140469 466 0    68 465 0      C-13-H3C(O)CH3
  692377.1346  0.0144 -4.2783 3  272.1827520  595161404322112 2    311813 2      C-13-H3C(O)CH3
  692432.0511  0.0453 -5.0483 3  400.5545308  595161404382711 3    372612 3      C-13-H3C(O)CH3
  692581.1308  0.0180 -5.4290 3  209.1635228  5951614042820 9 4    271711 4      C-13-H3C(O)CH3
  692696.6363  0.0097 -3.8428 3  694.2384856 -595161404532232 0    522131 0      C-13-H3C(O)CH3
  692696.6363  0.0097 -3.8428 3  694.2384856 -595161404532132 0    522231 0      C-13-H3C(O)CH3
  692718.2970  0.0132 -5.6564 3  174.2647204  5951614042521 5 3    2418 6 3      C-13-H3C(O)CH3
  692727.0644  0.0402 -5.2583 3  400.5736616  595161404382711 2    372612 2      C-13-H3C(O)CH3
  692733.5725  0.0164 -5.6562 3  174.3061204  5951614042521 4 4    2418 6 4      C-13-H3C(O)CH3
  692741.1003  0.0117 -3.8428 3  694.2277856  595161404532132 1    522231 1      C-13-H3C(O)CH3
  692741.1003  0.0117 -3.8428 3  694.2277856  595161404532232 1    522131 1      C-13-H3C(O)CH3
  692745.0130  0.0122 -3.8427 3  694.2271856  595161404532132 2    522231 2      C-13-H3C(O)CH3
  692745.0130  0.0122 -3.8427 3  694.2271856  595161404532232 2    522131 2      C-13-H3C(O)CH3
  692751.5412  0.0096 -3.8992 3  787.9249A00  595161404621151 0    611150 0      C-13-H3C(O)CH3
  692751.5412  0.0096 -4.4345 3  787.9249A00  595161404621251 0    611150 0      C-13-H3C(O)CH3
  692751.5412  0.0096 -3.8992 3  787.9249A00  595161404621251 0    611250 0      C-13-H3C(O)CH3
  692751.5412  0.0096 -4.4345 3  787.9249A00  595161404621151 0    611250 0      C-13-H3C(O)CH3
  692770.5173  0.0187 -3.9355 3  787.8989A00  595161404621151 1    611150 1      C-13-H3C(O)CH3
  692770.5173  0.0187 -4.3288 3  787.8989A00  595161404621151 1    611250 1      C-13-H3C(O)CH3
  692770.5173  0.0187 -3.9355 3  787.8989A00  595161404621251 1    611250 1      C-13-H3C(O)CH3
  692770.5173  0.0187 -4.3288 3  787.8989A00  595161404621251 1    611150 1      C-13-H3C(O)CH3
  692770.9506  0.0185 -5.6082 3  787.8987A00  595161404621251 2    611150 2      C-13-H3C(O)CH3
  692770.9506  0.0185 -3.7947 3  787.8987A00  595161404621251 2    611250 2      C-13-H3C(O)CH3
  692770.9506  0.0185 -3.7947 3  787.8987A00  595161404621151 2    611150 2      C-13-H3C(O)CH3
  692770.9506  0.0185 -5.6082 3  787.8987A00  595161404621151 2    611250 2      C-13-H3C(O)CH3
  692789.6284  0.0139 -4.1438 3  694.2164428  595161404532232 3    522131 3      C-13-H3C(O)CH3
  692789.6284  0.0139 -4.1438 3  694.2164428  595161404532132 3    522231 3      C-13-H3C(O)CH3
  692789.7083  0.0139 -4.1437 3  694.2163428  595161404532132 4    522231 4      C-13-H3C(O)CH3
  692789.7084  0.0139 -4.1437 3  694.2163428  595161404532232 4    522131 4      C-13-H3C(O)CH3
  692789.9534  0.0134 -4.6115 3  787.8727500  595161404621151 3    611250 3      C-13-H3C(O)CH3
  692789.9534  0.0134 -4.2441 3  787.8727500  595161404621151 3    611150 3      C-13-H3C(O)CH3
  692789.9534  0.0134 -4.2441 3  787.8727500  595161404621251 3    611250 3      C-13-H3C(O)CH3
  692789.9534  0.0134 -4.6115 3  787.8727500  595161404621251 3    611150 3      C-13-H3C(O)CH3
  692789.9580  0.0134 -4.0934 3  787.8726500  595161404621251 4    611150 4      C-13-H3C(O)CH3
  692789.9580  0.0134 -6.0871 3  787.8726500  595161404621151 4    611150 4      C-13-H3C(O)CH3
  692789.9580  0.0134 -6.0871 3  787.8726500  595161404621251 4    611250 4      C-13-H3C(O)CH3
  692789.9580  0.0134 -4.0934 3  787.8726500  595161404621151 4    611250 4      C-13-H3C(O)CH3
  692876.5778  0.4740 -6.2573 3 1718.0234F12  595161404941382 2    941283 2      C-13-H3C(O)CH3
  692876.5778  0.4740 -6.2573 3 1718.0234F12  595161404941282 2    941183 2      C-13-H3C(O)CH3
  692914.5479  0.2535 -6.0438 3 1070.7529500  595161404624122 4    614220 4      C-13-H3C(O)CH3
  692959.7455  0.0076 -3.9124 3  630.9294792  595161404492524 0    482623 0      C-13-H3C(O)CH3
  693006.8041  0.0089 -3.9125 3  630.9172792  595161404492524 1    482623 1      C-13-H3C(O)CH3
  693022.2275  0.0102 -3.9126 3  630.9148792  595161404492524 2    482623 2      C-13-H3C(O)CH3
  693038.7010  0.0119 -5.1886 3  209.1773456  5951614042820 9 1    271711 1      C-13-H3C(O)CH3
  693041.1961  0.0135 -5.6492 3  174.2123204  5951614042521 5 4    2418 7 4      C-13-H3C(O)CH3
  693053.5472  0.0133 -5.6577 3  174.2537204  5951614042521 4 3    2418 7 3      C-13-H3C(O)CH3
  693069.0501  0.0113 -4.2138 3  630.9026396  595161404492524 3    482623 3      C-13-H3C(O)CH3
  693069.3903  0.0113 -4.2137 3  630.9026396  595161404492524 4    482623 4      C-13-H3C(O)CH3
  693110.7743  0.3802 -6.2515 3 1070.7101A00  595161404624122 2    614219 2      C-13-H3C(O)CH3
  693118.2773  0.0148 -5.7047 3  209.1642228  5951614042820 9 3    271711 3      C-13-H3C(O)CH3
  693127.9648  0.0474 -5.8646 3  400.5451308  595161404382711 4    372612 4      C-13-H3C(O)CH3
  693152.7636  0.0074 -3.9121 3  630.9244792  595161404492624 0    482523 0      C-13-H3C(O)CH3
  693155.5225  0.1969 -5.6360 3 1070.7086A00  595161404624122 2    614220 2      C-13-H3C(O)CH3
  693159.1072  0.2813 -6.1325 3 1070.7544500  595161404624122 3    614219 3      C-13-H3C(O)CH3
  693208.4384  0.0087 -3.9122 3  630.9120792  595161404492624 1    482523 1      C-13-H3C(O)CH3
  693227.0618  0.0092 -3.9123 3  630.9095792  595161404492624 2    482523 2      C-13-H3C(O)CH3
  693227.8872  0.0124 -5.3547 3  174.3005408  5951614042521 4 1    2418 6 1      C-13-H3C(O)CH3
  693236.3405  0.3172 -6.1826 3 1661.6435E96  595161404931282 0    931083 0      C-13-H3C(O)CH3
  693236.3405  0.3172 -6.1826 3 1661.6435E96  595161404931182 0    931183 0      C-13-H3C(O)CH3
  693238.5044  0.2024 -6.1550 3 1070.7518500  595161404624122 3    614220 3      C-13-H3C(O)CH3
  693243.8129  0.1972 -5.5561 3 1070.7067A00  595161404624122 1    614219 1      C-13-H3C(O)CH3
  693282.9077  0.0104 -4.2134 3  630.8971396  595161404492624 4    482523 4      C-13-H3C(O)CH3
  693283.0964  0.0104 -4.2134 3  630.8971396  595161404492624 3    482523 3      C-13-H3C(O)CH3
  693381.8644  0.0101 -3.8366 3  708.4701872  595161404542034 0    532133 0      C-13-H3C(O)CH3
  693381.8644  0.0101 -3.8364 3  708.4701872  595161404542134 0    532033 0      C-13-H3C(O)CH3
  693398.0333  0.2037 -5.5418 3 1070.6625A00  595161404624122 0    614219 0      C-13-H3C(O)CH3
  693423.7349  0.3756 -6.2161 3 1661.6434E96  595161404931182 1    931083 1      C-13-H3C(O)CH3
  693423.7349  0.3756 -6.2161 3 1661.6434E96  595161404931282 1    931183 1      C-13-H3C(O)CH3
  693425.0819  0.0124 -3.8373 3  708.4589872  595161404542134 1    532033 1      C-13-H3C(O)CH3
  693425.0819  0.0124 -3.8370 3  708.4589872  595161404542034 1    532133 1      C-13-H3C(O)CH3
  693428.0777  0.0128 -3.8400 3  708.4585872  595161404542034 2    532133 2      C-13-H3C(O)CH3
  693428.0777  0.0128 -3.8432 3  708.4585872  595161404542134 2    532033 2      C-13-H3C(O)CH3
  693428.0777  0.0128 -5.6675 3  708.4585872  595161404542134 2    532133 2      C-13-H3C(O)CH3
  693428.0777  0.0128 -5.8915 3  708.4585872  595161404542034 2    532033 2      C-13-H3C(O)CH3
  693471.3525  0.0145 -4.1376 3  708.4473436  595161404542034 3    532133 3      C-13-H3C(O)CH3
  693471.3525  0.0145 -4.1379 3  708.4473436  595161404542134 3    532033 3      C-13-H3C(O)CH3
  693471.4284  0.0145 -4.1375 3  708.4472436  595161404542034 4    532133 4      C-13-H3C(O)CH3
  693471.4284  0.0145 -4.1375 3  708.4472436  595161404542134 4    532033 4      C-13-H3C(O)CH3
  693499.2729  0.2398 -6.1547 3 1070.7544500  595161404624121 3    614219 3      C-13-H3C(O)CH3
  693506.1977  0.0048 -4.5682 3  822.8827564  59516140470 268 3    69 367 3      C-13-H3C(O)CH3
  693506.1977  0.0048 -4.1612 3  822.8827564  59516140470 368 3    69 367 3      C-13-H3C(O)CH3
  693506.1983  0.0048 -4.3139 3  822.8828564  59516140470 268 4    69 367 4      C-13-H3C(O)CH3
  693506.1983  0.0048 -4.3235 3  822.8828564  59516140470 368 4    69 367 4      C-13-H3C(O)CH3
  693506.2422  0.0048 -4.3235 3  822.8828564 -59516140470 268 4    69 267 4      C-13-H3C(O)CH3
  693506.2422  0.0048 -4.3139 3  822.8828564 -59516140470 368 4    69 267 4      C-13-H3C(O)CH3
  693506.2422  0.0048 -4.1612 3  822.8827564 -59516140470 268 3    69 267 3      C-13-H3C(O)CH3
  693506.2422  0.0048 -4.5682 3  822.8827564 -59516140470 368 3    69 267 3      C-13-H3C(O)CH3
  693531.3388  0.0081 -4.2427 3  822.8777B28 -59516140470 368 2    69 267 2      C-13-H3C(O)CH3
  693531.3388  0.0078 -4.7684 3  822.8781B28 -59516140470 368 1    69 267 1      C-13-H3C(O)CH3
  693531.3388  0.0078 -4.7684 3  822.8781B28 -59516140470 268 1    69 367 1      C-13-H3C(O)CH3
  693531.3388  0.0081 -4.2427 3  822.8777B28 -59516140470 268 2    69 367 2      C-13-H3C(O)CH3
  693531.3388  0.0081 -3.8701 3  822.8777B28 -59516140470 268 2    69 267 2      C-13-H3C(O)CH3
  693531.3388  0.0078 -3.7570 3  822.8781B28 -59516140470 368 1    69 367 1      C-13-H3C(O)CH3
  693531.3388  0.0081 -3.8701 3  822.8777B28 -59516140470 368 2    69 367 2      C-13-H3C(O)CH3
  693531.3388  0.0078 -3.7570 3  822.8781B28 -59516140470 268 1    69 267 1      C-13-H3C(O)CH3
  693536.0645  0.0121 -5.3534 3  174.2626408  5951614042521 5 2    2418 7 2      C-13-H3C(O)CH3
  693541.1597  0.0119 -5.3519 3  174.2483408  5951614042521 5 1    2418 7 1      C-13-H3C(O)CH3
  693549.5325  0.0118 -5.3575 3  174.3040408  5951614042521 4 2    2418 6 2      C-13-H3C(O)CH3
  693556.3891  0.0056 -3.7756 3  822.8731B28  59516140470 368 0    69 367 0      C-13-H3C(O)CH3
  693556.3891  0.0056 -4.6126 3  822.8731B28  59516140470 268 0    69 367 0      C-13-H3C(O)CH3
  693556.4052  0.0056 -4.6126 3  822.8731B28 -59516140470 368 0    69 267 0      C-13-H3C(O)CH3
  693556.4052  0.0056 -3.7756 3  822.8731B28 -59516140470 268 0    69 267 0      C-13-H3C(O)CH3
  693558.1454  0.0126 -5.3024 3  209.1745456  5951614042820 9 2    271711 2      C-13-H3C(O)CH3
  693578.6701  0.2313 -6.1318 3 1070.7518500  595161404624121 3    614220 3      C-13-H3C(O)CH3
  693619.5936  0.0144 -5.2005 3  209.1642228  5951614042820 8 3    271711 3      C-13-H3C(O)CH3
  693625.1780  0.0125 -3.9681 3  613.2389776  595161404482622 0    472721 0      C-13-H3C(O)CH3
  693627.2661  0.0120 -3.9685 3  613.2259776  595161404482622 1    472721 1      C-13-H3C(O)CH3
  693627.6744  0.0168 -4.2702 3  613.2095388  595161404482622 3    472721 3      C-13-H3C(O)CH3
  693628.5004  0.0176 -3.9687 3  613.2224776  595161404482622 2    472721 2      C-13-H3C(O)CH3
  693631.2935  0.0170 -4.2702 3  613.2094388  595161404482622 4    472721 4      C-13-H3C(O)CH3
  693677.6095  0.1803 -5.6357 3 1070.7101A00  595161404624121 2    614219 2      C-13-H3C(O)CH3
  693722.3577  0.2679 -6.2505 3 1070.7086A00  595161404624121 2    614220 2      C-13-H3C(O)CH3
  693756.2336  0.2501 -6.1253 3 1605.8444E80  595161404921182 0    921083 0      C-13-H3C(O)CH3
  693756.2336  0.2501 -6.1253 3 1605.8444E80  595161404921082 0    92 983 0      C-13-H3C(O)CH3
  693758.5154  0.2058 -5.5413 3 1070.6621A00  595161404624121 0    614220 0      C-13-H3C(O)CH3
  693815.8798  0.2174 -5.5556 3 1070.7055A00  595161404624121 1    614220 1      C-13-H3C(O)CH3
  693824.4409  0.1658 -6.0433 3 1070.7534500  595161404624121 4    614219 4      C-13-H3C(O)CH3
  693861.9566  0.0098 -5.2476 3  796.5369A16  595161404631053 0    621152 0      C-13-H3C(O)CH3
  693861.9566  0.0098 -5.2476 3  796.5369A16  595161404631153 0    621052 0      C-13-H3C(O)CH3
  693861.9566  0.0098 -3.8007 3  796.5369A16  595161404631053 0    621052 0      C-13-H3C(O)CH3
  693861.9566  0.0098 -3.8007 3  796.5369A16  595161404631153 0    621152 0      C-13-H3C(O)CH3
  693876.0944  0.0197 -4.4647 3  796.5089A16  595161404631053 1    621052 1      C-13-H3C(O)CH3
  693876.0944  0.0197 -3.8873 3  796.5089A16  595161404631153 1    621052 1      C-13-H3C(O)CH3
  693876.0944  0.0197 -4.4647 3  796.5089A16  595161404631153 1    621152 1      C-13-H3C(O)CH3
  693876.0944  0.0197 -3.8873 3  796.5089A16  595161404631053 1    621152 1      C-13-H3C(O)CH3
  693876.4766  0.0195 -3.8165 3  796.5087A16  595161404631053 2    621052 2      C-13-H3C(O)CH3
  693876.4766  0.0195 -4.9456 3  796.5087A16  595161404631153 2    621052 2      C-13-H3C(O)CH3
  693876.4766  0.0195 -3.8165 3  796.5087A16  595161404631153 2    621152 2      C-13-H3C(O)CH3
  693876.4766  0.0195 -4.9456 3  796.5087A16  595161404631053 2    621152 2      C-13-H3C(O)CH3
  693890.6298  0.0129 -4.0882 3  796.4806508  595161404631053 4    621052 4      C-13-H3C(O)CH3
  693890.6298  0.0129 -4.0882 3  796.4806508  595161404631153 4    621152 4      C-13-H3C(O)CH3
  693890.6367  0.0129 -4.0874 3  796.4806508  595161404631153 3    621052 3      C-13-H3C(O)CH3
  693890.6367  0.0129 -4.0874 3  796.4806508  595161404631053 3    621152 3      C-13-H3C(O)CH3
  693965.8931  0.2856 -6.1165 3 1605.8359E80  595161404921182 2    921083 2      C-13-H3C(O)CH3
  693965.8931  0.2856 -6.1165 3 1605.8359E80  595161404921082 2    92 983 2      C-13-H3C(O)CH3
  693966.4138  0.2778 -6.1308 3 1605.8362E80  595161404921182 1    921083 1      C-13-H3C(O)CH3
  693966.4138  0.2778 -6.1308 3 1605.8362E80  595161404921082 1    92 983 1      C-13-H3C(O)CH3
  694007.0590  0.0131 -5.3565 3  174.2995408  5951614042521 5 0    2418 6 0      C-13-H3C(O)CH3
  694076.2772  0.0131 -5.3564 3  174.2972408  5951614042521 4 0    2418 7 0      C-13-H3C(O)CH3
  694076.4730  0.0112 -4.9973 3  209.1773456  5951614042820 8 1    271711 1      C-13-H3C(O)CH3
  694174.8083  0.0188 -3.8632 3  475.4505680  595161404422617 0    412516 0      C-13-H3C(O)CH3
  694180.7690  0.0105 -3.9080 3  722.1130888  595161404551936 0    542035 0      C-13-H3C(O)CH3
  694180.7690  0.0105 -4.6261 3  722.1130888  595161404552036 0    542035 0      C-13-H3C(O)CH3
  694180.7690  0.0105 -3.9080 3  722.1130888  595161404552036 0    541935 0      C-13-H3C(O)CH3
  694180.7690  0.0105 -4.6261 3  722.1130888  595161404551936 0    541935 0      C-13-H3C(O)CH3
  694183.9483  0.0081 -4.7837 3  209.1879456  5951614042820 8 0    271711 0      C-13-H3C(O)CH3
  694196.9268  0.0161 -5.3413 3  209.1635228  5951614042820 8 4    271711 4      C-13-H3C(O)CH3
  694197.0152  0.0122 -4.9399 3  209.1745456  5951614042820 8 2    271711 2      C-13-H3C(O)CH3
  694219.7823  0.0090 -6.0937 3  142.4324196  595161404241510 4    231013 4      C-13-H3C(O)CH3
  694222.5335  0.0130 -3.8371 3  722.1012888  595161404551936 1    541935 1      C-13-H3C(O)CH3
  694222.5335  0.0130 -5.7583 3  722.1012888  595161404552036 1    541935 1      C-13-H3C(O)CH3
  694222.5335  0.0130 -3.8334 3  722.1012888  595161404552036 1    542035 1      C-13-H3C(O)CH3
  694224.8632  0.0133 -4.5499 3  722.1008888  595161404552036 2    541935 2      C-13-H3C(O)CH3
  694224.8632  0.0133 -3.9242 3  722.1008888  595161404551936 2    541935 2      C-13-H3C(O)CH3
  694224.8632  0.0133 -3.9242 3  722.1008888  595161404552036 2    542035 2      C-13-H3C(O)CH3
  694224.8632  0.0133 -4.5499 3  722.1008888  595161404551936 2    542035 2      C-13-H3C(O)CH3
  694254.3659  0.0073 -6.0936 3  142.4324196  595161404241510 3    231013 3      C-13-H3C(O)CH3
  694266.6824  0.0150 -4.3206 3  722.0890444  595161404552036 3    542035 3      C-13-H3C(O)CH3
  694266.6824  0.0150 -4.3206 3  722.0890444  595161404551936 3    541935 3      C-13-H3C(O)CH3
  694266.6824  0.0150 -4.5878 3  722.0890444  595161404552036 3    541935 3      C-13-H3C(O)CH3
  694266.6824  0.0150 -4.5878 3  722.0890444  595161404551936 3    542035 3      C-13-H3C(O)CH3
  694266.7536  0.0150 -4.1345 3  722.0889444  595161404551936 4    541935 4      C-13-H3C(O)CH3
  694266.7536  0.0150 -4.1338 3  722.0889444  595161404552036 4    542035 4      C-13-H3C(O)CH3
  694283.4836  0.1872 -6.1377 3 1550.6192E64  59516140491 982 0    91 883 0      C-13-H3C(O)CH3
  694283.4836  0.1872 -6.2270 3 1550.6192E64  59516140491 982 0    91 983 0      C-13-H3C(O)CH3
  694312.8689  0.0179 -3.8627 3  475.4300680  595161404422617 1    412516 1      C-13-H3C(O)CH3
  694340.8679  0.0229 -4.0013 3  414.8846316  595161404392614 4    382513 4      C-13-H3C(O)CH3
  694499.9690  0.1961 -6.1134 3 1550.6024E64  59516140491 982 2    91 983 2      C-13-H3C(O)CH3
  694499.9690  0.1961 -6.1134 3 1550.6024E64  595161404911082 2    91 883 2      C-13-H3C(O)CH3
  694501.7322  0.1944 -6.1116 3 1550.6026E64  59516140491 982 1    91 983 1      C-13-H3C(O)CH3
  694501.7322  0.1944 -6.1116 3 1550.6026E64  595161404911082 1    91 883 1      C-13-H3C(O)CH3
  694503.3373  0.0074 -5.7917 3  142.4249392  595161404241510 2    231013 2      C-13-H3C(O)CH3
  694505.1489  0.0155 -3.6386 3  414.9022632  595161404392614 2    382513 2      C-13-H3C(O)CH3
  694508.9159  0.0074 -5.7915 3  142.4277392  595161404241510 1    231013 1      C-13-H3C(O)CH3
  694559.7085  0.0065 -3.5804 3  414.8979632  595161404392614 1    382513 1      C-13-H3C(O)CH3
  694566.7683  0.0052 -3.5644 3  414.9168632 -595161404392614 0    382513 0      C-13-H3C(O)CH3
  694600.4715  0.0057 -3.1273 3  389.4791568 -5951614043534 2 0    3433 2 0      C-13-H3C(O)CH3
  694600.4715  0.0057 -3.1273 3  389.4791568 -5951614043534 1 0    3433 1 0      C-13-H3C(O)CH3
  694621.5168  0.0060 -3.1271 3  389.4108568 -5951614043534 2 2    3433 2 2      C-13-H3C(O)CH3
  694644.6748  0.3476 -5.7385 3  956.4288476  595161404593723 4    583820 4      C-13-H3C(O)CH3
  694645.0568  0.0183 -3.9689 3  590.0680760  595161404472721 0    462620 0      C-13-H3C(O)CH3
  694664.8433  0.2579 -5.1840 3  796.1378436  595161404543321 3    533420 3      C-13-H3C(O)CH3
  694675.0735  0.0275 -3.8617 3  475.4154680  595161404422617 2    412516 2      C-13-H3C(O)CH3
  694681.5947  0.0196 -6.1266 3  155.4633376  5951614042322 1 1    2219 3 1      C-13-H3C(O)CH3
  694685.7466  0.0126 -3.8900 3  414.8815316  595161404392614 3    382513 3      C-13-H3C(O)CH3
  694699.5169  0.0058 -4.0577 3  826.6434572  59516140471 270 3    70 169 3      C-13-H3C(O)CH3
  694699.5169  0.0058 -4.9911 3  826.6434572  59516140471 170 3    70 169 3      C-13-H3C(O)CH3
  694699.5340  0.0058 -4.2274 3  826.6434572  59516140471 270 4    70 269 4      C-13-H3C(O)CH3
  694699.5340  0.0058 -4.4143 3  826.6434572  59516140471 170 4    70 269 4      C-13-H3C(O)CH3
  694699.5848  0.0058 -4.2274 3  826.6434572 -59516140471 170 4    70 169 4      C-13-H3C(O)CH3
  694699.5848  0.0058 -4.9911 3  826.6434572 -59516140471 270 3    70 269 3      C-13-H3C(O)CH3
  694699.5848  0.0058 -4.4143 3  826.6434572 -59516140471 270 4    70 169 4      C-13-H3C(O)CH3
  694699.5848  0.0058 -4.0577 3  826.6434572 -59516140471 170 3    70 269 3      C-13-H3C(O)CH3
  694711.0837  0.0063 -3.1270 3  389.4073568 -5951614043534 2 1    3433 2 1      C-13-H3C(O)CH3
  694718.2099  0.0083 -4.4182 3  826.6149B44 -59516140471 270 1    70 169 1      C-13-H3C(O)CH3
  694718.2099  0.0088 -4.9754 3  826.6145B44 -59516140471 270 2    70 169 2      C-13-H3C(O)CH3
  694718.2099  0.0088 -3.7329 3  826.6145B44 -59516140471 170 2    70 169 2      C-13-H3C(O)CH3
  694718.2099  0.0083 -3.8030 3  826.6149B44 -59516140471 170 1    70 169 1      C-13-H3C(O)CH3
  694718.2476  0.0088 -4.9754 3  826.6145B44  59516140471 170 2    70 269 2      C-13-H3C(O)CH3
  694718.2476  0.0088 -3.7329 3  826.6145B44  59516140471 270 2    70 269 2      C-13-H3C(O)CH3
  694718.3271  0.0083 -4.4182 3  826.6149B44  59516140471 170 1    70 269 1      C-13-H3C(O)CH3
  694718.3271  0.0083 -3.8030 3  826.6149B44  59516140471 270 1    70 269 1      C-13-H3C(O)CH3
  694732.3292  0.0088 -3.4279 3  389.3391284  5951614043534 2 4    3433 2 4      C-13-H3C(O)CH3
  694736.9044  0.0059 -3.8148 3  826.5862B44 -59516140471 170 0    70 269 0      C-13-H3C(O)CH3
  694736.9044  0.0059 -4.3724 3  826.5862B44 -59516140471 170 0    70 169 0      C-13-H3C(O)CH3
  694736.9044  0.0059 -4.3724 3  826.5862B44 -59516140471 270 0    70 269 0      C-13-H3C(O)CH3
  694736.9044  0.0059 -3.8148 3  826.5862B44 -59516140471 270 0    70 169 0      C-13-H3C(O)CH3
  694773.3749  0.0078 -5.7902 3  142.4202392  595161404241510 0    231013 0      C-13-H3C(O)CH3
  694790.9704  0.0266 -4.1627 3  475.3950340  595161404422617 4    412516 4      C-13-H3C(O)CH3
  694805.0018  0.0062 -3.1269 3  389.4419568 -5951614043534 1 2    3433 1 2      C-13-H3C(O)CH3
  694824.0889  0.0156 -3.9691 3  590.0491760  595161404472721 1    462620 1      C-13-H3C(O)CH3
  694826.5771  0.1436 -5.9705 3 1495.9677E48  59516140490 982 0    90 883 0      C-13-H3C(O)CH3
  694826.5771  0.1436 -5.9705 3 1495.9677E48  59516140490 882 0    90 783 0      C-13-H3C(O)CH3
  694826.6243  0.0298 -4.1619 3  475.3948340  595161404422617 3    412516 3      C-13-H3C(O)CH3
  694844.5526  0.0184 -6.1294 3  155.4764376  5951614042322 1 2    2219 3 2      C-13-H3C(O)CH3
  694871.1987  0.0062 -3.1269 3  389.4627568 -5951614043534 1 1    3433 1 1      C-13-H3C(O)CH3
  694891.7603  0.0083 -3.4278 3  389.3944284  5951614043534 1 3    3433 1 3      C-13-H3C(O)CH3
  694915.1532  0.0085 -3.4277 3  389.3702284  5951614043534 2 3    3433 2 3      C-13-H3C(O)CH3
  694951.6205  0.0227 -3.9692 3  590.0413760  595161404472721 2    462620 2      C-13-H3C(O)CH3
  694985.3354  0.0101 -3.8242 3  804.6078A32 -595161404641055 0    63 954 0      C-13-H3C(O)CH3
  694985.3354  0.0101 -4.8193 3  804.6078A32 -595161404641055 0    631054 0      C-13-H3C(O)CH3
  694985.3354  0.0101 -4.6315 3  804.6078A32 -59516140464 955 0    63 954 0      C-13-H3C(O)CH3
  694985.3354  0.0101 -3.8487 3  804.6078A32 -59516140464 955 0    631054 0      C-13-H3C(O)CH3
  694993.9593  0.0204 -3.7837 3  804.5781A32  59516140464 955 1    63 954 1      C-13-H3C(O)CH3
  694993.9593  0.0204 -5.0877 3  804.5781A32  59516140464 955 1    631054 1      C-13-H3C(O)CH3
  694993.9593  0.0204 -3.8044 3  804.5781A32  595161404641055 1    631054 1      C-13-H3C(O)CH3
  694994.3144  0.0201 -3.8329 3  804.5779A32  595161404641055 2    631054 2      C-13-H3C(O)CH3
  694994.3144  0.0201 -3.8329 3  804.5779A32  59516140464 955 2    63 954 2      C-13-H3C(O)CH3
  694994.3144  0.0201 -4.7412 3  804.5779A32  595161404641055 2    63 954 2      C-13-H3C(O)CH3
  694994.3144  0.0201 -4.7412 3  804.5779A32  59516140464 955 2    631054 2      C-13-H3C(O)CH3
  695003.0260  0.0123 -4.0989 3  804.5480516  59516140464 955 4    631054 4      C-13-H3C(O)CH3
  695003.0260  0.0123 -4.0989 3  804.5480516  595161404641055 4    63 954 4      C-13-H3C(O)CH3
  695003.0260  0.0123 -5.5358 3  804.5480516  59516140464 955 4    63 954 4      C-13-H3C(O)CH3
  695003.0260  0.0123 -5.5358 3  804.5480516  595161404641055 4    631054 4      C-13-H3C(O)CH3
  695003.0448  0.0123 -4.0834 3  804.5481516  595161404641055 3    631054 3      C-13-H3C(O)CH3
  695003.0448  0.0123 -4.0834 3  804.5481516  59516140464 955 3    63 954 3      C-13-H3C(O)CH3
  695030.0005  0.1599 -5.9643 3 1495.9433E48  59516140490 882 2    90 783 2      C-13-H3C(O)CH3
  695030.0005  0.1599 -5.9643 3 1495.9433E48  59516140490 982 2    90 883 2      C-13-H3C(O)CH3
  695031.9063  0.1681 -5.9765 3 1495.9434E48  59516140490 982 1    90 783 1      C-13-H3C(O)CH3
  695031.9063  0.1681 -5.9765 3 1495.9434E48  59516140490 882 1    90 883 1      C-13-H3C(O)CH3
  695035.9817  0.0201 -6.1247 3  155.4192376  5951614042322 2 2    2219 4 2      C-13-H3C(O)CH3
  695052.1292  0.2011 -6.1032 3 1281.6773A80  595161404674820 0    664917 0      C-13-H3C(O)CH3
  695052.1884  0.2011 -6.1032 3 1281.6773A80  595161404674819 0    664918 0      C-13-H3C(O)CH3
  695054.4314  0.2129 -5.2157 3  796.1261436  595161404543321 4    533420 4      C-13-H3C(O)CH3
  695059.8572  0.0107 -3.8328 3  735.1793904  595161404561938 0    551837 0      C-13-H3C(O)CH3
  695059.8572  0.0107 -4.6580 3  735.1793904  595161404561938 0    551937 0      C-13-H3C(O)CH3
  695059.8572  0.0107 -3.8982 3  735.1793904  595161404561838 0    551937 0      C-13-H3C(O)CH3
  695059.8572  0.0107 -5.8469 3  735.1793904  595161404561838 0    551837 0      C-13-H3C(O)CH3
  695075.1005  0.0087 -3.4276 3  389.4254284  5951614043534 1 4    3433 1 4      C-13-H3C(O)CH3
  695099.4313  0.1934 -5.8582 3 1192.9573A48  595161404654520 2    644618 2      C-13-H3C(O)CH3
  695100.0145  0.0136 -4.4153 3  735.1666904  595161404561838 1    551837 1      C-13-H3C(O)CH3
  695100.0145  0.0136 -3.9588 3  735.1666904  595161404561838 1    551937 1      C-13-H3C(O)CH3
  695100.0145  0.0136 -4.4153 3  735.1666904  595161404561938 1    551937 1      C-13-H3C(O)CH3
  695100.0145  0.0136 -3.9588 3  735.1666904  595161404561938 1    551837 1      C-13-H3C(O)CH3
  695101.8430  0.0138 -4.4009 3  735.1662904  595161404561938 2    551937 2      C-13-H3C(O)CH3
  695101.8430  0.0138 -3.9639 3  735.1662904  595161404561938 2    551837 2      C-13-H3C(O)CH3
  695101.8430  0.0138 -3.9639 3  735.1662904  595161404561838 2    551937 2      C-13-H3C(O)CH3
  695101.8430  0.0138 -4.4009 3  735.1662904  595161404561838 2    551837 2      C-13-H3C(O)CH3
  695118.2705  0.1872 -6.1032 3 1281.7249A80  595161404674819 2    664917 2      C-13-H3C(O)CH3
  695118.7088  0.5135 -6.1650 3 1179.2830A64  595161404663829 0    653926 0      C-13-H3C(O)CH3
  695128.1336  0.0202 -4.2704 3  590.0224380  595161404472721 4    462620 4      C-13-H3C(O)CH3
  695135.8842  0.0202 -4.2704 3  590.0223380  595161404472721 3    462620 3      C-13-H3C(O)CH3
  695142.0521  0.0154 -4.1591 3  735.1535452  595161404561838 3    551937 3      C-13-H3C(O)CH3
  695142.0521  0.0154 -5.3114 3  735.1535452  595161404561838 3    551837 3      C-13-H3C(O)CH3
  695142.0521  0.0154 -5.3114 3  735.1535452  595161404561938 3    551937 3      C-13-H3C(O)CH3
  695142.0521  0.0154 -4.1591 3  735.1535452  595161404561938 3    551837 3      C-13-H3C(O)CH3
  695142.1180  0.0154 -4.4286 3  735.1534452  595161404561938 4    551837 4      C-13-H3C(O)CH3
  695142.1180  0.0154 -4.4327 3  735.1534452  595161404561938 4    551937 4      C-13-H3C(O)CH3
  695142.1180  0.0154 -4.4286 3  735.1534452  595161404561838 4    551937 4      C-13-H3C(O)CH3
  695142.1180  0.0154 -4.4327 3  735.1534452  595161404561838 4    551837 4      C-13-H3C(O)CH3
  695145.5357  0.1751 -6.1590 3 1193.0078524  595161404654520 4    644618 4      C-13-H3C(O)CH3
  695196.6894  0.2269 -5.8582 3 1192.9038A48  595161404654521 0    644618 0      C-13-H3C(O)CH3
  695200.4062  0.2269 -5.8581 3 1192.9037A48  595161404654520 0    644619 0      C-13-H3C(O)CH3
  695244.0095  0.2224 -5.8580 3 1192.9542A48  595161404654520 1    644618 1      C-13-H3C(O)CH3
  695246.3459  0.0197 -6.1240 3  155.4056376  5951614042322 2 1    2219 4 1      C-13-H3C(O)CH3
  695263.8856  0.2033 -6.1030 3 1281.7202A80  595161404674819 1    664917 1      C-13-H3C(O)CH3
  695315.3910  0.1783 -5.5547 3  956.4097476  595161404593723 3    583820 3      C-13-H3C(O)CH3
  695339.7413  0.1714 -6.1032 3 1281.6815A80  595161404674820 2    664918 2      C-13-H3C(O)CH3
  695371.8165  0.1789 -6.1030 3 1281.6770A80  595161404674820 1    664918 1      C-13-H3C(O)CH3
  695395.6051  0.1349 -5.9510 3 1441.8894E32  59516140489 882 0    89 683 0      C-13-H3C(O)CH3
  695395.6051  0.1349 -5.9510 3 1441.8894E32  59516140489 782 0    89 783 0      C-13-H3C(O)CH3
  695398.4578  0.0072 -4.6175 3  182.8903236  59516140429 920 4    28 821 4      C-13-H3C(O)CH3
  695398.4578  0.0072 -4.6175 3  182.8903236  595161404291020 4    28 721 4      C-13-H3C(O)CH3
  695398.7814  0.0058 -4.6175 3  182.8902236  59516140429 920 3    28 821 3      C-13-H3C(O)CH3
  695398.7815  0.0058 -4.6175 3  182.8902236  595161404291020 3    28 721 3      C-13-H3C(O)CH3
  695427.3510  0.2579 -5.3389 3  956.3829952  595161404593723 2    583820 2      C-13-H3C(O)CH3
  695438.9654  0.1667 -6.1591 3 1192.9782524  595161404654521 3    644619 3      C-13-H3C(O)CH3
  695439.0155  0.1854 -5.8581 3 1192.9292A48  595161404654521 2    644619 2      C-13-H3C(O)CH3
  695484.4712  0.1641 -6.1591 3 1192.9797524  595161404654520 3    644618 3      C-13-H3C(O)CH3
  695538.4162  0.2070 -5.8579 3 1192.9247A48  595161404654521 1    644619 1      C-13-H3C(O)CH3
  695546.5515  0.1676 -5.3242 3  956.3788952  595161404593723 1    583820 1      C-13-H3C(O)CH3
  695558.6389  0.1996 -6.0021 3 1441.8589E32  59516140489 782 2    89 783 2      C-13-H3C(O)CH3
  695558.6389  0.1996 -6.0021 3 1441.8589E32  59516140489 882 2    89 683 2      C-13-H3C(O)CH3
  695559.6297  0.2107 -6.0540 3 1441.8590E32  59516140489 782 1    89 783 1      C-13-H3C(O)CH3
  695559.6297  0.2107 -6.0540 3 1441.8590E32  59516140489 882 1    89 683 1      C-13-H3C(O)CH3
  695608.1546  0.0205 -6.1293 3  155.4739376  5951614042322 2 0    2219 3 0      C-13-H3C(O)CH3
  695608.2240  0.0205 -6.1293 3  155.4739376  5951614042322 1 0    2219 4 0      C-13-H3C(O)CH3
  695680.8679  0.2459 -4.8917 3  796.1179872  595161404543321 2    533420 2      C-13-H3C(O)CH3
  695702.9654  0.0051 -4.3161 3  182.8853472  59516140429 920 2    28 821 2      C-13-H3C(O)CH3
  695702.9655  0.0051 -4.3161 3  182.8853472  595161404291020 2    28 721 2      C-13-H3C(O)CH3
  695715.5836  0.0053 -4.3161 3  182.8863472  59516140429 920 1    28 821 1      C-13-H3C(O)CH3
  695715.5837  0.0053 -4.3161 3  182.8863472  595161404291020 1    28 721 1      C-13-H3C(O)CH3
  695722.6649  0.1408 -6.2050 3 1441.8284716  59516140489 782 4    89 783 4      C-13-H3C(O)CH3
  695722.6649  0.1408 -6.2050 3 1441.8284716  59516140489 882 4    89 683 4      C-13-H3C(O)CH3
  695722.6886  0.1407 -6.2649 3 1441.8284716  59516140489 782 3    89 783 3      C-13-H3C(O)CH3
  695722.6886  0.1407 -6.2649 3 1441.8284716  59516140489 882 3    89 683 3      C-13-H3C(O)CH3
  695772.7382  0.6715 -6.1595 3 1179.2742A64  595161404663829 2    653926 2      C-13-H3C(O)CH3
  695779.3006  0.1715 -6.1588 3 1192.9503524  595161404654521 4    644619 4      C-13-H3C(O)CH3
  695861.6863  0.1566 -4.8877 3  796.1160872  595161404543321 1    533420 1      C-13-H3C(O)CH3
  695908.0871  0.0094 -4.8790 3  829.8793580 -59516140472 172 4    71 171 4      C-13-H3C(O)CH3
  695908.0871  0.0094 -4.0630 3  829.8793580 -59516140472 072 4    71 171 4      C-13-H3C(O)CH3
  695908.0871  0.0094 -4.0492 3  829.8793580 -59516140472 172 3    71 071 3      C-13-H3C(O)CH3
  695908.0871  0.0094 -4.9820 3  829.8793580 -59516140472 072 3    71 071 3      C-13-H3C(O)CH3
  695908.1506  0.0094 -4.8790 3  829.8793580  59516140472 072 4    71 071 4      C-13-H3C(O)CH3
  695908.1506  0.0094 -4.0630 3  829.8793580  59516140472 172 4    71 071 4      C-13-H3C(O)CH3
  695908.1681  0.0094 -4.0492 3  829.8793580  59516140472 072 3    71 171 3      C-13-H3C(O)CH3
  695908.1681  0.0094 -4.9820 3  829.8793580  59516140472 172 3    71 171 3      C-13-H3C(O)CH3
  695911.3995  0.0164 -4.5775 3  829.8158B60 -59516140472 172 2    71 071 2      C-13-H3C(O)CH3
  695911.3995  0.0153 -3.7148 3  829.8160B60 -59516140472 172 1    71 071 1      C-13-H3C(O)CH3
  695911.3995  0.0153 -3.7148 3  829.8160B60 -59516140472 072 1    71 171 1      C-13-H3C(O)CH3
  695911.3995  0.0164 -4.5775 3  829.8158B60 -59516140472 072 2    71 171 2      C-13-H3C(O)CH3
  695911.3995  0.0164 -3.7619 3  829.8158B60 -59516140472 172 2    71 171 2      C-13-H3C(O)CH3
  695911.3995  0.0164 -3.7619 3  829.8158B60 -59516140472 072 2    71 071 2      C-13-H3C(O)CH3
  695911.3995  0.0153 -5.1775 3  829.8160B60 -59516140472 072 1    71 071 1      C-13-H3C(O)CH3
  695911.3995  0.0153 -5.1775 3  829.8160B60 -59516140472 172 1    71 171 1      C-13-H3C(O)CH3
  695914.3590  0.0111 -3.7009 3  829.7527B60  59516140472 172 0    71 171 0      C-13-H3C(O)CH3
  695914.4365  0.0111 -3.7009 3  829.7527B60 -59516140472 072 0    71 071 0      C-13-H3C(O)CH3
  695967.6882  0.4779 -6.1574 3 1179.2645A64  595161404663829 1    653926 1      C-13-H3C(O)CH3
  695997.4628  0.0107 -3.8365 3  747.6778920  595161404571840 0    561739 0      C-13-H3C(O)CH3
  695997.4628  0.0107 -5.4515 3  747.6778920  595161404571840 0    561839 0      C-13-H3C(O)CH3
  695997.4628  0.0107 -5.4515 3  747.6778920  595161404571740 0    561739 0      C-13-H3C(O)CH3
  695997.4628  0.0107 -3.8365 3  747.6778920  595161404571740 0    561839 0      C-13-H3C(O)CH3
  696002.3935  0.1515 -5.9252 3 1388.3834E16  59516140488 682 0    88 683 0      C-13-H3C(O)CH3
  696002.3935  0.1515 -5.9252 3 1388.3834E16  59516140488 782 0    88 583 0      C-13-H3C(O)CH3
  696019.1656  0.0052 -4.3155 3  182.8814472  59516140429 920 0    28 821 0      C-13-H3C(O)CH3
  696019.1657  0.0052 -4.3155 3  182.8814472  595161404291020 0    28 721 0      C-13-H3C(O)CH3
  696035.8159  0.0142 -3.8267 3  747.6639920  595161404571840 1    561839 1      C-13-H3C(O)CH3
  696035.8159  0.0142 -3.8267 3  747.6639920  595161404571740 1    561739 1      C-13-H3C(O)CH3
  696037.2570  0.0143 -4.9434 3  747.6636920  595161404571840 2    561739 2      C-13-H3C(O)CH3
  696037.2570  0.0143 -3.8606 3  747.6636920  595161404571840 2    561839 2      C-13-H3C(O)CH3
  696037.2570  0.0143 -4.9434 3  747.6636920  595161404571740 2    561839 2      C-13-H3C(O)CH3
  696037.2570  0.0143 -3.8606 3  747.6636920  595161404571740 2    561739 2      C-13-H3C(O)CH3
  696064.5783  0.0121 -4.1040 3  288.2655536  595161404332113 1    321814 1      C-13-H3C(O)CH3
  696075.6587  0.0156 -4.2175 3  747.6496460  595161404571840 3    561739 3      C-13-H3C(O)CH3
  696075.6587  0.0156 -4.2125 3  747.6496460  595161404571740 3    561839 3      C-13-H3C(O)CH3
  696075.6587  0.0156 -4.8532 3  747.6496460  595161404571740 3    561739 3      C-13-H3C(O)CH3
  696075.6587  0.0156 -4.8755 3  747.6496460  595161404571840 3    561839 3      C-13-H3C(O)CH3
  696075.7187  0.0156 -4.1422 3  747.6495460  595161404571840 4    561839 4      C-13-H3C(O)CH3
  696075.7187  0.0156 -5.5919 3  747.6495460  595161404571840 4    561739 4      C-13-H3C(O)CH3
  696075.7187  0.0156 -5.5919 3  747.6495460  595161404571740 4    561839 4      C-13-H3C(O)CH3
  696075.7187  0.0156 -4.1422 3  747.6495460  595161404571740 4    561739 4      C-13-H3C(O)CH3
  696084.2633  0.1212 -5.2521 3  956.3395952  595161404593723 0    583820 0      C-13-H3C(O)CH3
  696088.1348  0.2681 -5.9433 3 1388.3498E16  59516140488 682 1    88 683 1      C-13-H3C(O)CH3
  696088.1348  0.2681 -5.9433 3 1388.3498E16  59516140488 782 1    88 583 1      C-13-H3C(O)CH3
  696088.8627  0.2600 -6.1968 3 1388.3497E16  59516140488 682 2    88 683 2      C-13-H3C(O)CH3
  696088.8627  0.2600 -6.2388 3 1388.3497E16  59516140488 682 2    88 583 2      C-13-H3C(O)CH3
  696088.8627  0.2600 -6.1222 3 1388.3497E16  59516140488 782 2    88 683 2      C-13-H3C(O)CH3
  696088.8627  0.2600 -6.0897 3 1388.3497E16  59516140488 782 2    88 583 2      C-13-H3C(O)CH3
  696120.2314  0.0101 -3.8003 3  812.1388A48 -59516140465 857 0    64 956 0      C-13-H3C(O)CH3
  696120.2314  0.0101 -5.0971 3  812.1388A48 -59516140465 857 0    64 856 0      C-13-H3C(O)CH3
  696120.2314  0.0101 -5.0971 3  812.1388A48 -59516140465 957 0    64 956 0      C-13-H3C(O)CH3
  696120.2314  0.0101 -3.8003 3  812.1388A48 -59516140465 957 0    64 856 0      C-13-H3C(O)CH3
  696123.0053  0.0203 -4.0104 3  812.1078A48  59516140465 957 1    64 856 1      C-13-H3C(O)CH3
  696123.0053  0.0203 -4.1627 3  812.1078A48  59516140465 857 1    64 856 1      C-13-H3C(O)CH3
  696123.0053  0.0203 -4.0104 3  812.1078A48  59516140465 857 1    64 956 1      C-13-H3C(O)CH3
  696123.0053  0.0203 -4.1627 3  812.1078A48  59516140465 957 1    64 956 1      C-13-H3C(O)CH3
  696123.3478  0.0201 -5.7127 3  812.1076A48  59516140465 957 2    64 856 2      C-13-H3C(O)CH3
  696123.3478  0.0201 -3.7839 3  812.1076A48  59516140465 957 2    64 956 2      C-13-H3C(O)CH3
  696123.3478  0.0201 -5.7127 3  812.1076A48  59516140465 857 2    64 956 2      C-13-H3C(O)CH3
  696123.3478  0.0201 -3.7839 3  812.1076A48  59516140465 857 2    64 856 2      C-13-H3C(O)CH3
  696126.0750  0.0115 -4.2966 3  812.0766524  59516140465 957 4    64 956 4      C-13-H3C(O)CH3
  696126.0750  0.0115 -4.4855 3  812.0766524  59516140465 957 4    64 856 4      C-13-H3C(O)CH3
  696126.0750  0.0115 -4.2966 3  812.0766524  59516140465 857 4    64 856 4      C-13-H3C(O)CH3
  696126.0750  0.0115 -4.4855 3  812.0766524  59516140465 857 4    64 956 4      C-13-H3C(O)CH3
  696126.1053  0.0115 -4.4497 3  812.0766524  59516140465 957 3    64 956 3      C-13-H3C(O)CH3
  696126.1053  0.0115 -4.3214 3  812.0766524  59516140465 957 3    64 856 3      C-13-H3C(O)CH3
  696126.1053  0.0115 -4.4497 3  812.0766524  59516140465 857 3    64 856 3      C-13-H3C(O)CH3
  696126.1053  0.0115 -4.3214 3  812.0766524  59516140465 857 3    64 956 3      C-13-H3C(O)CH3
  696174.2864  0.1369 -6.1681 3 1388.3160708  59516140488 782 4    88 583 4      C-13-H3C(O)CH3
  696174.2864  0.1369 -6.1681 3 1388.3160708  59516140488 682 4    88 683 4      C-13-H3C(O)CH3
  696174.5754  0.1368 -6.1601 3 1388.3160708  59516140488 782 3    88 683 3      C-13-H3C(O)CH3
  696174.5754  0.1368 -6.1586 3 1388.3160708  59516140488 682 3    88 583 3      C-13-H3C(O)CH3
  696191.0061  0.0114 -4.4056 3  288.2389268  595161404332113 4    321814 4      C-13-H3C(O)CH3
  696198.8835  0.0139 -4.4059 3  288.2386268  595161404332113 3    321814 3      C-13-H3C(O)CH3
  696250.9474  0.0115 -4.1057 3  288.2798536  595161404332113 0    321814 0      C-13-H3C(O)CH3
  696369.9165  0.0058 -5.0078 3  414.8979632  595161404392613 1    382513 1      C-13-H3C(O)CH3
  696388.4430  0.0116 -4.1065 3  288.2530536  595161404332113 2    321814 2      C-13-H3C(O)CH3
  696402.9837  0.0043 -3.1921 3  392.9982584 -5951614043632 5 0    3531 4 0      C-13-H3C(O)CH3
  696402.9837  0.0043 -3.1921 3  392.9982584 -5951614043632 4 0    3531 5 0      C-13-H3C(O)CH3
  696411.8282  0.0044 -3.1921 3  392.9548584 -5951614043632 5 2    3531 5 2      C-13-H3C(O)CH3
  696452.9659  0.0046 -3.1920 3  392.9385584 -5951614043632 5 1    3531 5 1      C-13-H3C(O)CH3
  696462.5769  0.0062 -3.4931 3  392.8951292  5951614043632 5 4    3531 5 4      C-13-H3C(O)CH3
  696495.8495  0.0070 -5.1129 3  414.8815316  595161404392613 3    382513 3      C-13-H3C(O)CH3
  696519.8977  0.0086 -4.3630 3  414.9022632  595161404392613 2    382513 2      C-13-H3C(O)CH3
  696543.8286  0.0045 -3.1920 3  392.9684584 -5951614043632 4 2    3531 4 2      C-13-H3C(O)CH3
  696548.8401  0.0119 -5.8980 3  159.9979204  5951614042517 9 4    241212 4      C-13-H3C(O)CH3
  696583.9337  0.1335 -6.2359 3 1335.3836700  59516140487 682 4    87 483 4      C-13-H3C(O)CH3
  696583.9337  0.1335 -6.2359 3 1335.3836700  59516140487 582 4    87 583 4      C-13-H3C(O)CH3
  696584.5507  0.1333 -6.1376 3 1335.3836700  59516140487 582 3    87 583 3      C-13-H3C(O)CH3
  696584.5507  0.1333 -6.1376 3 1335.3836700  59516140487 682 3    87 483 3      C-13-H3C(O)CH3
  696593.9952  0.0063 -3.4929 3  392.9088292  5951614043632 5 3    3531 5 3      C-13-H3C(O)CH3
  696616.8342  0.0046 -3.1918 3  392.9714584 -5951614043632 4 1    3531 4 1      C-13-H3C(O)CH3
  696621.2533  0.2998 -5.8980 3 1335.4161E00  59516140487 582 1    87 583 1      C-13-H3C(O)CH3
  696621.2533  0.2998 -5.8980 3 1335.4161E00  59516140487 682 1    87 483 1      C-13-H3C(O)CH3
  696623.9833  0.2957 -5.9563 3 1335.4159E00  59516140487 682 2    87 483 2      C-13-H3C(O)CH3
  696623.9833  0.2957 -5.9563 3 1335.4159E00  59516140487 582 2    87 583 2      C-13-H3C(O)CH3
  696625.9384  0.0062 -3.4929 3  392.9281292  5951614043632 4 3    3531 4 3      C-13-H3C(O)CH3
  696651.0074  0.0116 -4.4334 3  414.8846316  595161404392613 4    382513 4      C-13-H3C(O)CH3
  696660.6119  0.1658 -5.8969 3 1335.4484E00  59516140487 582 0    87 583 0      C-13-H3C(O)CH3
  696660.6119  0.1658 -5.8969 3 1335.4484E00  59516140487 682 0    87 483 0      C-13-H3C(O)CH3
  696679.8133  0.0257 -3.9796 3  567.1256744  595161404462720 0    452619 0      C-13-H3C(O)CH3
  696685.2195  0.1715 -4.8794 3  796.1022872  595161404543321 0    533420 0      C-13-H3C(O)CH3
  696757.0601  0.0066 -3.4927 3  392.9416292  5951614043632 4 4    3531 4 4      C-13-H3C(O)CH3
  696765.0881  0.1350 -6.0104 3  956.3580476  595161404593723 4    583821 4      C-13-H3C(O)CH3
  696842.1341  0.1317 -5.9925 3  956.3357952  595161404593723 2    583821 2      C-13-H3C(O)CH3
  696870.0859  0.1261 -6.0653 3  956.3346952  595161404593723 1    583821 1      C-13-H3C(O)CH3
  696870.7234  0.0161 -4.4956 3  256.3715504  595161404312111 1    301812 1      C-13-H3C(O)CH3
  696915.6791  0.0080 -5.8585 3  159.9978204  5951614042517 9 3    241212 3      C-13-H3C(O)CH3
  696917.4815  0.0217 -4.7979 3  256.3496252  595161404312111 4    301812 4      C-13-H3C(O)CH3
  696926.2350  0.0185 -4.7960 3  256.3498252  595161404312111 3    301812 3      C-13-H3C(O)CH3
  696931.7910  0.0216 -3.9796 3  567.1035744  595161404462720 1    452619 1      C-13-H3C(O)CH3
  696944.2139  0.1257 -6.1164 3 1283.0333692  59516140486 482 4    86 383 4      C-13-H3C(O)CH3
  696944.2139  0.1257 -6.1164 3 1283.0333692  59516140486 582 4    86 483 4      C-13-H3C(O)CH3
  696979.0722  0.0107 -4.0483 3  759.6151936  595161404581742 0    571741 0      C-13-H3C(O)CH3
  696979.0722  0.0107 -4.2186 3  759.6151936  595161404581742 0    571641 0      C-13-H3C(O)CH3
  696979.0722  0.0107 -4.0483 3  759.6151936  595161404581642 0    571641 0      C-13-H3C(O)CH3
  696979.0722  0.0107 -4.2186 3  759.6151936  595161404581642 0    571741 0      C-13-H3C(O)CH3
  697015.3742  0.0149 -3.8260 3  759.5997936  595161404581742 1    571641 1      C-13-H3C(O)CH3
  697015.3742  0.0149 -3.8260 3  759.5997936  595161404581642 1    571741 1      C-13-H3C(O)CH3
  697015.3742  0.0149 -6.1920 3  759.5997936  595161404581642 1    571641 1      C-13-H3C(O)CH3
  697015.3742  0.0149 -6.1920 3  759.5997936  595161404581742 1    571741 1      C-13-H3C(O)CH3
  697016.5105  0.0149 -5.5018 3  759.5995936  595161404581742 2    571641 2      C-13-H3C(O)CH3
  697016.5105  0.0149 -3.8333 3  759.5995936  595161404581742 2    571741 2      C-13-H3C(O)CH3
  697016.5105  0.0149 -5.5018 3  759.5995936  595161404581642 2    571741 2      C-13-H3C(O)CH3
  697016.5105  0.0149 -3.8333 3  759.5995936  595161404581642 2    571641 2      C-13-H3C(O)CH3
  697044.9033  0.0095 -5.5730 3  159.9997408  5951614042517 9 1    241212 1      C-13-H3C(O)CH3
  697052.8580  0.0157 -4.1360 3  759.5841468  595161404581742 3    571741 3      C-13-H3C(O)CH3
  697052.8580  0.0157 -4.1360 3  759.5841468  595161404581642 3    571641 3      C-13-H3C(O)CH3
  697052.8580  0.0157 -5.7310 3  759.5841468  595161404581642 3    571741 3      C-13-H3C(O)CH3
  697052.8580  0.0157 -5.7310 3  759.5841468  595161404581742 3    571641 3      C-13-H3C(O)CH3
  697052.9116  0.0157 -4.2865 3  759.5840468  595161404581742 4    571641 4      C-13-H3C(O)CH3
  697052.9116  0.0157 -4.6333 3  759.5840468  595161404581742 4    571741 4      C-13-H3C(O)CH3
  697052.9116  0.0157 -4.6333 3  759.5840468  595161404581642 4    571641 4      C-13-H3C(O)CH3
  697052.9116  0.0157 -4.2865 3  759.5840468  595161404581642 4    571741 4      C-13-H3C(O)CH3
  697103.8652  0.0422 -4.3739 3  617.9369388  595161404482721 3    472820 3      C-13-H3C(O)CH3
  697119.0329  0.0426 -4.3739 3  617.9365388  595161404482721 4    472820 4      C-13-H3C(O)CH3
  697145.4696  0.0059 -4.3545 3  234.5823252  595161404311417 4    301318 4      C-13-H3C(O)CH3
  697145.6432  0.0051 -4.3545 3  234.5823252  595161404311417 3    301318 3      C-13-H3C(O)CH3
  697153.5966  0.0059 -4.3545 3  234.5823252  595161404311517 4    301218 4      C-13-H3C(O)CH3
  697153.8010  0.0051 -4.3545 3  234.5823252  595161404311517 3    301218 3      C-13-H3C(O)CH3
  697160.0335  0.0358 -3.9796 3  567.0920744  595161404462720 2    452619 2      C-13-H3C(O)CH3
  697163.4756  0.2834 -5.8168 3 1283.0581D84  59516140486 582 1    86 483 1      C-13-H3C(O)CH3
  697163.4756  0.2834 -5.8168 3 1283.0581D84  59516140486 482 1    86 383 1      C-13-H3C(O)CH3
  697167.4813  0.0103 -6.0565 3  153.5883228  59516140428 722 4    27 523 4      C-13-H3C(O)CH3
  697167.4813  0.0103 -6.0565 3  153.5883228  59516140428 622 4    27 423 4      C-13-H3C(O)CH3
  697167.4813  0.0103 -4.9519 3  153.5883228  59516140428 722 4    27 423 4      C-13-H3C(O)CH3
  697167.4813  0.0103 -4.9519 3  153.5883228  59516140428 622 4    27 523 4      C-13-H3C(O)CH3
  697167.5841  0.0086 -5.6165 3  153.5883228  59516140428 722 3    27 423 3      C-13-H3C(O)CH3
  697167.5841  0.0086 -5.0164 3  153.5883228  59516140428 622 3    27 423 3      C-13-H3C(O)CH3
  697167.5841  0.0086 -6.0073 3  153.5883228  59516140428 622 3    27 523 3      C-13-H3C(O)CH3
  697167.5841  0.0086 -4.9561 3  153.5883228  59516140428 722 3    27 523 3      C-13-H3C(O)CH3
  697167.6445  0.2830 -5.8405 3 1283.0578D84  59516140486 582 2    86 383 2      C-13-H3C(O)CH3
  697167.6445  0.2830 -5.8405 3 1283.0578D84  59516140486 482 2    86 483 2      C-13-H3C(O)CH3
  697246.8814  0.1162 -6.1477 3 1231.2675684  59516140485 382 4    85 283 4      C-13-H3C(O)CH3
  697246.8814  0.1162 -6.1477 3 1231.2675684  59516140485 482 4    85 383 4      C-13-H3C(O)CH3
  697247.7973  0.1162 -6.2145 3 1231.2674684  59516140485 382 3    85 283 3      C-13-H3C(O)CH3
  697247.7973  0.1162 -6.2145 3 1231.2674684  59516140485 482 3    85 383 3      C-13-H3C(O)CH3
  697256.2150  0.0049 -4.0534 3  234.5964504  595161404311417 2    301318 2      C-13-H3C(O)CH3
  697256.2485  0.0463 -4.0717 3  617.9478776  595161404482721 2    472820 2      C-13-H3C(O)CH3
  697259.0762  0.0106 -4.1043 3  819.0677532  59516140466 859 4    65 758 4      C-13-H3C(O)CH3
  697259.0762  0.0106 -5.2751 3  819.0677532  59516140466 859 4    65 858 4      C-13-H3C(O)CH3
  697259.0762  0.0106 -5.2751 3  819.0677532  59516140466 759 4    65 758 4      C-13-H3C(O)CH3
  697259.0762  0.0106 -4.1043 3  819.0677532  59516140466 759 4    65 858 4      C-13-H3C(O)CH3
  697259.1164  0.0106 -4.7295 3  819.0677532  59516140466 759 3    65 758 3      C-13-H3C(O)CH3
  697259.1164  0.0106 -4.1849 3  819.0677532  59516140466 759 3    65 858 3      C-13-H3C(O)CH3
  697259.1164  0.0106 -4.1849 3  819.0677532  59516140466 859 3    65 758 3      C-13-H3C(O)CH3
  697259.1164  0.0106 -4.7295 3  819.0677532  59516140466 859 3    65 858 3      C-13-H3C(O)CH3
  697262.4186  0.0194 -5.9738 3  819.0994A64  59516140466 859 1    65 758 1      C-13-H3C(O)CH3
  697262.4186  0.0194 -3.7777 3  819.0994A64  59516140466 859 1    65 858 1      C-13-H3C(O)CH3
  697262.4186  0.0194 -5.9738 3  819.0994A64  59516140466 759 1    65 858 1      C-13-H3C(O)CH3
  697262.4186  0.0194 -3.7777 3  819.0994A64  59516140466 759 1    65 758 1      C-13-H3C(O)CH3
  697262.7512  0.0191 -5.3983 3  819.0992A64  59516140466 759 2    65 858 2      C-13-H3C(O)CH3
  697262.7512  0.0191 -3.7854 3  819.0992A64  59516140466 759 2    65 758 2      C-13-H3C(O)CH3
  697262.7512  0.0191 -5.3983 3  819.0992A64  59516140466 859 2    65 758 2      C-13-H3C(O)CH3
  697262.7512  0.0191 -3.7854 3  819.0992A64  59516140466 859 2    65 858 2      C-13-H3C(O)CH3
  697264.4755  0.0049 -4.0534 3  234.5964504  595161404311517 2    301218 2      C-13-H3C(O)CH3
  697265.9837  0.0099 -3.7866 3  819.1307A64 -59516140466 759 0    65 858 0      C-13-H3C(O)CH3
  697265.9837  0.0099 -3.7866 3  819.1307A64 -59516140466 859 0    65 758 0      C-13-H3C(O)CH3
  697266.0609  0.0099 -5.3533 3  819.1307A64  59516140466 859 0    65 858 0      C-13-H3C(O)CH3
  697266.0609  0.0099 -5.3533 3  819.1307A64  59516140466 759 0    65 758 0      C-13-H3C(O)CH3
  697284.9378  0.0049 -4.0534 3  234.5989504  595161404311417 1    301318 1      C-13-H3C(O)CH3
  697292.8605  0.0049 -4.0534 3  234.5989504  595161404311517 1    301218 1      C-13-H3C(O)CH3
  697311.7808  0.0080 -3.9707 3  281.2214536  595161404331815 2    321716 2      C-13-H3C(O)CH3
  697334.2762  0.0269 -4.0711 3  617.9511776  595161404482721 1    472820 1      C-13-H3C(O)CH3
  697336.9728  0.0086 -5.5653 3  159.9948408  5951614042517 9 2    241212 2      C-13-H3C(O)CH3
  697343.6180  0.0098 -4.2715 3  281.2019268  595161404331815 3    321716 3      C-13-H3C(O)CH3
  697348.0633  0.0093 -4.2715 3  281.2019268  595161404331815 4    321716 4      C-13-H3C(O)CH3
  697385.8454  0.1588 -5.9150 3 1283.0826D84  59516140486 482 0    86 383 0      C-13-H3C(O)CH3
  697385.8454  0.1588 -5.9150 3 1283.0826D84  59516140486 582 0    86 483 0      C-13-H3C(O)CH3
  697395.3384  0.0048 -4.0532 3  234.6130504  595161404311417 0    301318 0      C-13-H3C(O)CH3
  697403.3666  0.0048 -4.0532 3  234.6129504  595161404311517 0    301218 0      C-13-H3C(O)CH3
  697404.6631  0.0332 -4.2807 3  567.0700372  595161404462720 4    452619 4      C-13-H3C(O)CH3
  697410.7800  0.0067 -3.9708 3  281.2456536  595161404331815 0    321716 0      C-13-H3C(O)CH3
  697419.4049  0.0332 -4.2806 3  567.0698372  595161404462720 3    452619 3      C-13-H3C(O)CH3
  697442.9356  0.0079 -3.9706 3  281.2261536  595161404331815 1    321716 1      C-13-H3C(O)CH3
  697473.3709  0.0145 -4.4886 3  256.3770504  595161404312111 0    301812 0      C-13-H3C(O)CH3
  697476.4965  0.0318 -4.0700 3  617.9622776  595161404482721 0    472820 0      C-13-H3C(O)CH3
  697482.9395  0.1278 -6.1939 3 1180.0886676  59516140484 282 4    84 183 4      C-13-H3C(O)CH3
  697482.9395  0.1278 -6.1939 3 1180.0886676  59516140484 382 4    84 283 4      C-13-H3C(O)CH3
  697535.6949  0.0151 -4.4888 3  256.3552504  595161404312111 2    301812 2      C-13-H3C(O)CH3
  697633.1734  0.0084 -4.6194 3  153.5625456  59516140428 622 2    27 523 2      C-13-H3C(O)CH3
  697633.1734  0.0084 -4.6194 3  153.5625456  59516140428 722 2    27 423 2      C-13-H3C(O)CH3
  697640.3669  0.0089 -4.6264 3  153.5631456  59516140428 722 1    27 423 1      C-13-H3C(O)CH3
  697640.3669  0.0089 -6.1876 3  153.5631456  59516140428 622 1    27 423 1      C-13-H3C(O)CH3
  697640.3669  0.0089 -4.6291 3  153.5631456  59516140428 622 1    27 523 1      C-13-H3C(O)CH3
  697659.9065  0.0088 -5.5557 3  159.9967408  5951614042517 9 0    241212 0      C-13-H3C(O)CH3
  697720.0052  0.2119 -5.8443 3 1231.2758D68  59516140485 482 1    85 383 1      C-13-H3C(O)CH3
  697720.0052  0.2119 -5.8388 3 1231.2758D68  59516140485 382 1    85 283 1      C-13-H3C(O)CH3
  697723.8162  0.2150 -6.2371 3 1231.2754D68  59516140485 482 2    85 383 2      C-13-H3C(O)CH3
  697723.8162  0.2150 -6.0343 3 1231.2754D68  59516140485 482 2    85 283 2      C-13-H3C(O)CH3
  697723.8162  0.2150 -6.2371 3 1231.2754D68  59516140485 382 2    85 283 2      C-13-H3C(O)CH3
  697723.8162  0.2150 -6.0343 3 1231.2754D68  59516140485 382 2    85 383 2      C-13-H3C(O)CH3
  697906.1150  0.0039 -3.2732 3  398.2148600 -5951614043730 8 0    3629 7 0      C-13-H3C(O)CH3
  697906.1150  0.0039 -3.2732 3  398.2148600 -5951614043730 7 0    3629 8 0      C-13-H3C(O)CH3
  697922.7663  0.0045 -3.2733 3  398.1705600 -5951614043730 8 1    3629 8 1      C-13-H3C(O)CH3
  697932.4657  0.0044 -3.2732 3  398.1888600 -5951614043730 8 2    3629 8 2      C-13-H3C(O)CH3
  697948.5909  0.0057 -3.5743 3  398.1443300  5951614043730 8 4    3629 8 4      C-13-H3C(O)CH3
  697963.0000  0.0147 -5.5969 3  123.6517220  59516140427 424 3    26 125 3      C-13-H3C(O)CH3
  697963.0000  0.0147 -5.5529 3  123.6517220  59516140427 324 3    26 125 3      C-13-H3C(O)CH3
  697963.5285  0.0166 -5.5396 3  123.6518220  59516140427 424 4    26 125 4      C-13-H3C(O)CH3
  697963.5285  0.0166 -5.5396 3  123.6518220  59516140427 324 4    26 225 4      C-13-H3C(O)CH3
  697994.7207  0.0106 -4.8370 3  770.9965952  595161404591644 0    581543 0      C-13-H3C(O)CH3
  697994.7207  0.0106 -3.8667 3  770.9965952  595161404591644 0    581643 0      C-13-H3C(O)CH3
  697994.7207  0.0106 -3.8667 3  770.9965952  595161404591544 0    581543 0      C-13-H3C(O)CH3
  697994.7207  0.0106 -4.8370 3  770.9965952  595161404591544 0    581643 0      C-13-H3C(O)CH3
  698019.2997  0.0043 -3.2732 3  398.1997600 -5951614043730 7 2    3629 7 2      C-13-H3C(O)CH3
  698028.6682  0.0156 -3.8225 3  770.9794952  595161404591644 1    581643 1      C-13-H3C(O)CH3
  698028.6682  0.0156 -3.8225 3  770.9794952  595161404591544 1    581543 1      C-13-H3C(O)CH3
  698029.5631  0.0156 -5.6753 3  770.9792952  595161404591544 2    581643 2      C-13-H3C(O)CH3
  698029.5631  0.0156 -3.8286 3  770.9792952  595161404591544 2    581543 2      C-13-H3C(O)CH3
  698029.5631  0.0156 -5.6753 3  770.9792952  595161404591644 2    581543 2      C-13-H3C(O)CH3
  698029.5631  0.0156 -3.8286 3  770.9792952  595161404591644 2    581643 2      C-13-H3C(O)CH3
  698035.5534  0.0056 -3.5743 3  398.1553300  5951614043730 8 3    3629 8 3      C-13-H3C(O)CH3
  698063.5528  0.0157 -4.1883 3  770.9621476  595161404591544 3    581643 3      C-13-H3C(O)CH3
  698063.5528  0.0157 -4.4582 3  770.9621476  595161404591644 3    581543 3      C-13-H3C(O)CH3
  698063.5528  0.0157 -4.3932 3  770.9621476  595161404591544 3    581543 3      C-13-H3C(O)CH3
  698063.5528  0.0157 -4.9813 3  770.9621476  595161404591644 3    581643 3      C-13-H3C(O)CH3
  698063.5990  0.0157 -4.2591 3  770.9621476  595161404591644 4    581543 4      C-13-H3C(O)CH3
  698063.5990  0.0157 -4.6947 3  770.9621476  595161404591644 4    581643 4      C-13-H3C(O)CH3
  698063.5990  0.0157 -4.2591 3  770.9621476  595161404591544 4    581643 4      C-13-H3C(O)CH3
  698063.5990  0.0157 -4.6947 3  770.9621476  595161404591544 4    581543 4      C-13-H3C(O)CH3
  698070.6556  0.0042 -3.2730 3  398.1879600 -5951614043730 7 1    3629 7 1      C-13-H3C(O)CH3
  698076.7556  0.0118 -3.9610 3  613.1281776  595161404482722 0    472621 0      C-13-H3C(O)CH3
  698096.2382  0.0085 -4.4312 3  414.7594316  595161404392614 4    382514 4      C-13-H3C(O)CH3
  698097.9625  0.0055 -3.5741 3  398.1619300  5951614043730 7 3    3629 7 3      C-13-H3C(O)CH3
  698104.9644  0.0080 -4.6357 3  153.5373456  59516140428 622 0    27 523 0      C-13-H3C(O)CH3
  698104.9644  0.0080 -5.9756 3  153.5373456  59516140428 722 0    27 523 0      C-13-H3C(O)CH3
  698104.9644  0.0080 -4.6357 3  153.5373456  59516140428 722 0    27 423 0      C-13-H3C(O)CH3
  698104.9644  0.0080 -5.9756 3  153.5373456  59516140428 622 0    27 423 0      C-13-H3C(O)CH3
  698129.0112  0.0048 -5.0056 3  414.7789632  595161404392614 1    382514 1      C-13-H3C(O)CH3
  698136.5695  0.0067 -4.3605 3  414.7810632  595161404392614 2    382514 2      C-13-H3C(O)CH3
  698184.1628  0.0059 -3.5741 3  398.1728300 -5951614043730 7 4    3629 7 4      C-13-H3C(O)CH3
  698194.8161  0.0109 -3.9612 3  613.1125776  595161404482722 1    472621 1      C-13-H3C(O)CH3
  698195.6167  0.1281 -5.8559 3 1231.2838D68  59516140485 482 0    85 283 0      C-13-H3C(O)CH3
  698195.6167  0.1281 -5.8559 3 1231.2838D68  59516140485 382 0    85 383 0      C-13-H3C(O)CH3
  698249.1550  0.0059 -5.1100 3  414.7626316  595161404392614 3    382514 3      C-13-H3C(O)CH3
  698259.9506  0.0125 -3.9613 3  613.1074776  595161404482722 2    472621 2      C-13-H3C(O)CH3
  698268.6197  0.2071 -5.9340 3 1108.1195508  595161404634222 4    624319 4      C-13-H3C(O)CH3
  698296.7831  0.1921 -5.9214 3 1180.0686D52  59516140484 382 2    84 183 2      C-13-H3C(O)CH3
  698296.7831  0.1921 -5.9214 3 1180.0686D52  59516140484 282 2    84 283 2      C-13-H3C(O)CH3
  698296.8097  0.1819 -6.1248 3 1180.0691D52  59516140484 382 1    84 183 1      C-13-H3C(O)CH3
  698296.8097  0.1819 -6.1248 3 1180.0691D52  59516140484 282 1    84 283 1      C-13-H3C(O)CH3
  698377.5684  0.0111 -4.2625 3  613.0917388  595161404482722 4    472621 4      C-13-H3C(O)CH3
  698381.0354  0.0112 -4.2625 3  613.0917388  595161404482722 3    472621 3      C-13-H3C(O)CH3
  698401.2146  0.0095 -4.0800 3  825.5230540 -59516140467 761 3    66 660 3      C-13-H3C(O)CH3
  698401.2146  0.0095 -4.0856 3  825.5229540 -59516140467 661 4    66 760 4      C-13-H3C(O)CH3
  698401.2146  0.0095 -4.0800 3  825.5230540 -59516140467 661 3    66 760 3      C-13-H3C(O)CH3
  698401.2146  0.0095 -4.0856 3  825.5229540 -59516140467 761 4    66 660 4      C-13-H3C(O)CH3
  698401.2146  0.0095 -5.5668 3  825.5229540 -59516140467 661 4    66 660 4      C-13-H3C(O)CH3
  698401.2146  0.0095 -5.5668 3  825.5229540 -59516140467 761 4    66 760 4      C-13-H3C(O)CH3
  698401.6997  0.0095 -5.7846 3  825.5230540  59516140467 661 3    66 660 3      C-13-H3C(O)CH3
  698401.6997  0.0095 -5.7846 3  825.5230540  59516140467 761 3    66 760 3      C-13-H3C(O)CH3
  698411.5380  0.0172 -4.0324 3  825.5536A80 -59516140467 761 1    66 760 1      C-13-H3C(O)CH3
  698411.5380  0.0172 -4.1145 3  825.5536A80 -59516140467 761 1    66 660 1      C-13-H3C(O)CH3
  698411.5380  0.0169 -3.9442 3  825.5534A80 -59516140467 761 2    66 660 2      C-13-H3C(O)CH3
  698411.5380  0.0169 -4.2523 3  825.5534A80 -59516140467 761 2    66 760 2      C-13-H3C(O)CH3
  698411.5380  0.0172 -4.0324 3  825.5536A80 -59516140467 661 1    66 660 1      C-13-H3C(O)CH3
  698411.5380  0.0172 -4.1145 3  825.5536A80 -59516140467 661 1    66 760 1      C-13-H3C(O)CH3
  698411.5380  0.0169 -4.2523 3  825.5534A80 -59516140467 661 2    66 660 2      C-13-H3C(O)CH3
  698411.5380  0.0169 -3.9442 3  825.5534A80 -59516140467 661 2    66 760 2      C-13-H3C(O)CH3
  698421.6060  0.0091 -5.4835 3  825.5841A80 -59516140467 761 0    66 660 0      C-13-H3C(O)CH3
  698421.6060  0.0091 -5.4835 3  825.5841A80 -59516140467 661 0    66 760 0      C-13-H3C(O)CH3
  698421.6060  0.0091 -3.7790 3  825.5841A80 -59516140467 761 0    66 760 0      C-13-H3C(O)CH3
  698421.6060  0.0091 -3.7790 3  825.5841A80 -59516140467 661 0    66 660 0      C-13-H3C(O)CH3
  698464.1364  0.2031 -5.6569 3 1108.0717A16  595161404634222 2    624319 2      C-13-H3C(O)CH3
  698562.8148  0.2135 -5.6705 3 1108.0701A16  595161404634222 1    624319 1      C-13-H3C(O)CH3
  698639.3254  0.0189 -5.2376 3  123.5947440  59516140427 324 2    26 125 2      C-13-H3C(O)CH3
  698639.3254  0.0189 -5.2376 3  123.5947440  59516140427 424 2    26 225 2      C-13-H3C(O)CH3
  698641.7550  0.0195 -5.5849 3  123.5952440  59516140427 324 1    26 125 1      C-13-H3C(O)CH3
  698641.7550  0.0195 -5.4963 3  123.5952440  59516140427 324 1    26 225 1      C-13-H3C(O)CH3
  698641.7550  0.0195 -5.4963 3  123.5952440  59516140427 424 1    26 125 1      C-13-H3C(O)CH3
  698641.7550  0.0195 -5.5849 3  123.5952440  59516140427 424 1    26 225 1      C-13-H3C(O)CH3
  698658.1197  0.2097 -6.1494 3 1108.1112508  595161404634222 3    624320 3      C-13-H3C(O)CH3
  698692.9909  0.0043 -3.3823 3  405.3477616 -595161404382811 0    372710 0      C-13-H3C(O)CH3
  698700.6703  0.0051 -3.3827 3  405.3161616 -595161404382811 1    372711 1      C-13-H3C(O)CH3
  698709.3531  0.0043 -3.3823 3  405.3473616 -595161404382810 0    372711 0      C-13-H3C(O)CH3
  698716.7990  0.2245 -5.6199 3 1108.0225A16  595161404634222 0    624319 0      C-13-H3C(O)CH3
  698746.4084  0.2344 -6.1494 3 1108.1136508  595161404634221 3    624319 3      C-13-H3C(O)CH3
  698757.0797  0.0059 -3.6834 3  405.2944308 -595161404382811 4    372711 4      C-13-H3C(O)CH3
  698757.0797  0.0048 -3.3822 3  405.3261616 -595161404382811 2    372711 2      C-13-H3C(O)CH3
  698764.9089  0.0143 -6.1171 3  256.3715504  595161404312110 1    301812 1      C-13-H3C(O)CH3
  698822.0322  0.0044 -3.3825 3  405.3461616 -595161404382810 2    372710 2      C-13-H3C(O)CH3
  698822.0322  0.0055 -3.6841 3  405.3144308 -595161404382810 3    372710 3      C-13-H3C(O)CH3
  698830.4496  0.0041 -3.3825 3  405.3273616 -595161404382810 1    372710 1      C-13-H3C(O)CH3
  698882.7782  0.2256 -5.6196 3 1108.0223A16  595161404634221 0    624320 0      C-13-H3C(O)CH3
  698887.5294  0.0052 -3.6837 3  405.3057308  595161404382811 3    372711 3      C-13-H3C(O)CH3
  698891.1305  0.4443 -6.1379 3 1129.4373D36  59516140483 182 2    83 083 2      C-13-H3C(O)CH3
  698891.1305  0.4443 -6.1379 3 1129.4373D36  59516140483 282 2    83 183 2      C-13-H3C(O)CH3
  698900.6661  0.4269 -6.0917 3 1129.4374D36  59516140483 182 1    83 083 1      C-13-H3C(O)CH3
  698900.6661  0.4269 -6.0917 3 1129.4374D36  59516140483 282 1    83 183 1      C-13-H3C(O)CH3
  698918.3139  0.1963 -5.6567 3 1108.0658A16  595161404634221 2    624320 2      C-13-H3C(O)CH3
  698952.4927  0.0050 -3.6835 3  405.3256308  595161404382810 4    372710 4      C-13-H3C(O)CH3
  699037.4378  0.0104 -5.9647 3  781.8259968  595161404601546 0    591545 0      C-13-H3C(O)CH3
  699037.4378  0.0104 -3.8241 3  781.8259968  595161404601546 0    591445 0      C-13-H3C(O)CH3
  699037.4378  0.0104 -3.8241 3  781.8259968  595161404601446 0    591545 0      C-13-H3C(O)CH3
  699037.4378  0.0104 -5.9647 3  781.8259968  595161404601446 0    591445 0      C-13-H3C(O)CH3
  699058.1115  0.2358 -5.6701 3 1108.0618A16  595161404634221 1    624320 1      C-13-H3C(O)CH3
  699068.6644  0.0165 -3.8211 3  781.8070968  595161404601546 1    591445 1      C-13-H3C(O)CH3
  699068.6644  0.0165 -3.8211 3  781.8070968  595161404601446 1    591545 1      C-13-H3C(O)CH3
  699069.3692  0.0165 -3.8218 3  781.8067968  595161404601546 2    591545 2      C-13-H3C(O)CH3
  699069.3692  0.0165 -3.8218 3  781.8067968  595161404601446 2    591445 2      C-13-H3C(O)CH3
  699100.6346  0.0155 -4.7078 3  781.7878484  595161404601546 3    591545 3      C-13-H3C(O)CH3
  699100.6346  0.0155 -4.2523 3  781.7878484  595161404601546 3    591445 3      C-13-H3C(O)CH3
  699100.6346  0.0155 -4.3596 3  781.7878484  595161404601446 3    591445 3      C-13-H3C(O)CH3
  699100.6346  0.0155 -4.4970 3  781.7878484  595161404601446 3    591545 3      C-13-H3C(O)CH3
  699100.6727  0.0155 -4.5854 3  781.7878484  595161404601546 4    591445 4      C-13-H3C(O)CH3
  699100.6727  0.0155 -4.3049 3  781.7878484  595161404601546 4    591545 4      C-13-H3C(O)CH3
  699100.6727  0.0155 -4.5854 3  781.7878484  595161404601446 4    591545 4      C-13-H3C(O)CH3
  699100.6727  0.0155 -4.3049 3  781.7878484  595161404601446 4    591445 4      C-13-H3C(O)CH3
  699109.3395  0.1360 -5.9456 3 1180.0491D52  59516140484 282 0    84 183 0      C-13-H3C(O)CH3
  699109.3395  0.1360 -5.9456 3 1180.0491D52  59516140484 382 0    84 283 0      C-13-H3C(O)CH3
  699137.2345  0.1837 -5.9335 3 1108.1054508  595161404634221 4    624320 4      C-13-H3C(O)CH3
  699316.4946  0.0180 -6.0616 3  123.5383440  59516140427 424 0    26 225 0      C-13-H3C(O)CH3
  699316.4946  0.0180 -5.3062 3  123.5383440  59516140427 424 0    26 125 0      C-13-H3C(O)CH3
  699316.4946  0.0180 -5.3062 3  123.5383440  59516140427 324 0    26 225 0      C-13-H3C(O)CH3
  699316.4946  0.0180 -6.0616 3  123.5383440  59516140427 324 0    26 125 0      C-13-H3C(O)CH3
  699553.7367  0.0081 -4.0859 3  831.4437548  59516140468 663 4    67 662 4      C-13-H3C(O)CH3
  699553.7367  0.0081 -5.4249 3  831.4437548  59516140468 663 4    67 562 4      C-13-H3C(O)CH3
  699553.7367  0.0081 -4.0859 3  831.4437548  59516140468 563 4    67 562 4      C-13-H3C(O)CH3
  699553.7367  0.0081 -5.4249 3  831.4437548  59516140468 563 4    67 662 4      C-13-H3C(O)CH3
  699553.7847  0.0081 -4.1198 3  831.4437548  59516140468 663 3    67 562 3      C-13-H3C(O)CH3
  699553.7847  0.0081 -5.0035 3  831.4437548  59516140468 663 3    67 662 3      C-13-H3C(O)CH3
  699553.7847  0.0081 -5.0035 3  831.4437548  59516140468 563 3    67 562 3      C-13-H3C(O)CH3
  699553.7847  0.0081 -4.1198 3  831.4437548  59516140468 563 3    67 662 3      C-13-H3C(O)CH3
  699569.3318  0.0137 -3.9748 3  831.4712A96 -59516140468 663 2    67 562 2      C-13-H3C(O)CH3
  699569.3318  0.0139 -3.9459 3  831.4715A96 -59516140468 663 1    67 562 1      C-13-H3C(O)CH3
  699569.3318  0.0137 -4.1829 3  831.4712A96 -59516140468 563 2    67 562 2      C-13-H3C(O)CH3
  699569.3318  0.0139 -4.2341 3  831.4715A96 -59516140468 563 1    67 562 1      C-13-H3C(O)CH3
  699570.0364  0.0139 -4.2341 3  831.4715A96  59516140468 663 1    67 662 1      C-13-H3C(O)CH3
  699570.0364  0.0139 -3.9459 3  831.4715A96  59516140468 563 1    67 662 1      C-13-H3C(O)CH3
  699570.2982  0.0137 -4.1829 3  831.4712A96  59516140468 663 2    67 662 2      C-13-H3C(O)CH3
  699570.2982  0.0137 -3.9748 3  831.4712A96  59516140468 563 2    67 662 2      C-13-H3C(O)CH3
  699586.3295  0.0078 -4.5331 3  831.4990A96 -59516140468 563 0    67 562 0      C-13-H3C(O)CH3
  699586.3295  0.0078 -3.8469 3  831.4990A96 -59516140468 663 0    67 562 0      C-13-H3C(O)CH3
  699586.5438  0.0078 -4.5331 3  831.4990A96  59516140468 663 0    67 662 0      C-13-H3C(O)CH3
  699586.5438  0.0078 -3.8469 3  831.4990A96  59516140468 563 0    67 662 0      C-13-H3C(O)CH3
  699841.9967  0.0045 -3.5596 3  414.7988632 -595161404392613 0    382514 0      C-13-H3C(O)CH3
  699939.3301  0.0075 -3.5755 3  414.7789632 -595161404392613 1    382514 1      C-13-H3C(O)CH3
  700059.2579  0.0129 -3.8852 3  414.7626316  595161404392613 3    382514 3      C-13-H3C(O)CH3
  700102.2779  0.0103 -3.8490 3  792.1067984  595161404611448 0    601447 0      C-13-H3C(O)CH3
  700102.2779  0.0103 -5.0009 3  792.1067984  595161404611448 0    601347 0      C-13-H3C(O)CH3
  700102.2779  0.0103 -3.8490 3  792.1067984  595161404611348 0    601347 0      C-13-H3C(O)CH3
  700102.2779  0.0103 -5.0009 3  792.1067984  595161404611348 0    601447 0      C-13-H3C(O)CH3
  700130.3508  0.0176 -4.6164 3  792.0858984  595161404611448 1    601347 1      C-13-H3C(O)CH3
  700130.3508  0.0176 -3.8948 3  792.0858984  595161404611448 1    601447 1      C-13-H3C(O)CH3
  700130.3508  0.0176 -4.2112 3  792.0858984  595161404611348 1    601447 1      C-13-H3C(O)CH3
  700130.3508  0.0176 -4.0453 3  792.0858984  595161404611348 1    601347 1      C-13-H3C(O)CH3
  700130.9096  0.0175 -3.9474 3  792.0855984  595161404611448 2    601447 2      C-13-H3C(O)CH3
  700130.9096  0.0175 -4.4121 3  792.0855984  595161404611348 2    601447 2      C-13-H3C(O)CH3
  700130.9096  0.0175 -4.4121 3  792.0855984  595161404611448 2    601347 2      C-13-H3C(O)CH3
  700130.9096  0.0175 -3.9474 3  792.0855984  595161404611348 2    601347 2      C-13-H3C(O)CH3
  700148.1834  0.2882 -6.0845 3 1129.3752D36  59516140483 282 0    83 083 0      C-13-H3C(O)CH3
  700148.1834  0.2882 -6.0845 3 1129.3752D36  59516140483 182 0    83 183 0      C-13-H3C(O)CH3
  700151.3183  0.0176 -3.6336 3  414.7810632  595161404392613 2    382514 2      C-13-H3C(O)CH3
  700159.0175  0.0153 -4.1204 3  792.0645492  595161404611348 3    601447 3      C-13-H3C(O)CH3
  700159.0175  0.0153 -4.1204 3  792.0645492  595161404611448 3    601347 3      C-13-H3C(O)CH3
  700159.0465  0.0153 -5.5717 3  792.0645492  595161404611448 4    601447 4      C-13-H3C(O)CH3
  700159.0465  0.0153 -5.5717 3  792.0645492  595161404611348 4    601347 4      C-13-H3C(O)CH3
  700159.0465  0.0153 -4.1360 3  792.0645492  595161404611348 4    601447 4      C-13-H3C(O)CH3
  700159.0465  0.0153 -4.1360 3  792.0645492  595161404611448 4    601347 4      C-13-H3C(O)CH3
  700222.3116  0.0060 -4.2989 3  257.8369260  595161404321616 3    311517 3      C-13-H3C(O)CH3
  700222.7369  0.0064 -4.2989 3  257.8369260  595161404321616 4    311517 4      C-13-H3C(O)CH3
  700270.0938  0.0055 -3.9980 3  257.8547520  595161404321616 2    311517 2      C-13-H3C(O)CH3
  700317.3770  0.0055 -3.9979 3  257.8581520  595161404321616 1    311517 1      C-13-H3C(O)CH3
  700365.1069  0.0052 -3.9980 3  257.8758520  595161404321616 0    311517 0      C-13-H3C(O)CH3
  700373.1106  0.3986 -5.9062 3  991.5001484  595161404603823 4    593920 4      C-13-H3C(O)CH3
  700406.3778  0.0264 -3.9959 3  414.7594316  595161404392613 4    382514 4      C-13-H3C(O)CH3
  700475.1358  0.0063 -4.2987 3  257.8366260  595161404321716 4    311417 4      C-13-H3C(O)CH3
  700475.2890  0.0058 -4.2987 3  257.8366260  595161404321716 3    311417 3      C-13-H3C(O)CH3
  700525.9700  0.0054 -3.9978 3  257.8544520  595161404321716 2    311417 2      C-13-H3C(O)CH3
  700565.2482  0.0054 -3.9977 3  257.8578520  595161404321716 1    311417 1      C-13-H3C(O)CH3
  700615.9242  0.0052 -3.9977 3  257.8756520  595161404321716 0    311417 0      C-13-H3C(O)CH3
  700625.9991  0.0070 -3.1118 3  396.3011568 -5951614043535 1 0    3434 1 0      C-13-H3C(O)CH3
  700625.9991  0.0070 -3.1118 3  396.3011568 -5951614043535 0 0    3434 0 0      C-13-H3C(O)CH3
  700669.4730  0.0074 -3.1116 3  396.2243568 -5951614043535 1 2    3434 1 2      C-13-H3C(O)CH3
  700715.5849  0.0066 -4.0699 3  836.8316556  59516140469 465 4    68 464 4      C-13-H3C(O)CH3
  700715.5849  0.0066 -4.0699 3  836.8316556  59516140469 565 4    68 564 4      C-13-H3C(O)CH3
  700715.5849  0.0066 -5.7482 3  836.8316556  59516140469 565 4    68 464 4      C-13-H3C(O)CH3
  700715.5849  0.0066 -5.7482 3  836.8316556  59516140469 465 4    68 564 4      C-13-H3C(O)CH3
  700715.6259  0.0066 -5.0607 3  836.8316556  59516140469 465 3    68 564 3      C-13-H3C(O)CH3
  700715.6259  0.0066 -4.1067 3  836.8316556  59516140469 565 3    68 564 3      C-13-H3C(O)CH3
  700715.6259  0.0066 -5.0607 3  836.8316556  59516140469 565 3    68 464 3      C-13-H3C(O)CH3
  700715.6259  0.0066 -4.1067 3  836.8316556  59516140469 465 3    68 464 3      C-13-H3C(O)CH3
  700734.5677  0.0099 -4.9908 3  836.8532B12 -59516140469 565 2    68 564 2      C-13-H3C(O)CH3
  700734.5677  0.0099 -3.7862 3  836.8532B12 -59516140469 465 2    68 564 2      C-13-H3C(O)CH3
  700734.5677  0.0100 -3.8815 3  836.8535B12 -59516140469 465 1    68 564 1      C-13-H3C(O)CH3
  700734.5677  0.0100 -3.8815 3  836.8535B12 -59516140469 565 1    68 464 1      C-13-H3C(O)CH3
  700737.3334  0.0100 -4.3721 3  836.8535B12  59516140469 565 1    68 564 1      C-13-H3C(O)CH3
  700737.3334  0.0100 -4.3721 3  836.8535B12  59516140469 465 1    68 464 1      C-13-H3C(O)CH3
  700737.5089  0.0099 -4.9908 3  836.8532B12  59516140469 465 2    68 464 2      C-13-H3C(O)CH3
  700737.5089  0.0099 -3.7862 3  836.8532B12  59516140469 565 2    68 464 2      C-13-H3C(O)CH3
  700759.0437  0.0064 -4.7763 3  836.8752B12 -59516140469 565 0    68 464 0      C-13-H3C(O)CH3
  700759.0437  0.0064 -3.8039 3  836.8752B12 -59516140469 465 0    68 464 0      C-13-H3C(O)CH3
  700759.2002  0.0064 -4.7763 3  836.8752B12  59516140469 465 0    68 564 0      C-13-H3C(O)CH3
  700759.2002  0.0064 -3.8039 3  836.8752B12  59516140469 565 0    68 564 0      C-13-H3C(O)CH3
  700772.6575  0.0077 -3.1115 3  396.2282568 -5951614043535 1 1    3434 1 1      C-13-H3C(O)CH3
  700815.9398  0.0106 -3.4123 3  396.1516284  5951614043535 1 4    3434 1 4      C-13-H3C(O)CH3
  700861.9433  0.0080 -3.1115 3  396.2668568 -5951614043535 0 2    3434 0 2      C-13-H3C(O)CH3
  700915.0036  0.0078 -3.1115 3  396.2939568 -5951614043535 0 1    3434 0 1      C-13-H3C(O)CH3
  700957.7706  0.0102 -3.4123 3  396.2170284  5951614043535 0 3    3434 0 3      C-13-H3C(O)CH3
  701008.0603  0.0104 -3.4122 3  396.1941284  5951614043535 1 3    3434 1 3      C-13-H3C(O)CH3
  701064.9337  0.1992 -5.6256 3  991.4818484  595161404603823 3    593920 3      C-13-H3C(O)CH3
  701117.1505  0.2973 -5.4782 3  991.4514968  595161404603823 2    593920 2      C-13-H3C(O)CH3
  701150.6033  0.0110 -3.4121 3  396.2596284  5951614043535 0 4    3434 0 4      C-13-H3C(O)CH3
  701184.2992  0.0096 -3.8807 3  687.0141840 -595161404522329 0    512428 0      C-13-H3C(O)CH3
  701184.2992  0.0096 -3.8807 3  687.0141840 -595161404522429 0    512328 0      C-13-H3C(O)CH3
  701185.6963  0.0103 -4.2713 3  801.8416A00  595161404621250 0    611249 0      C-13-H3C(O)CH3
  701185.6963  0.0103 -4.0060 3  801.8416A00  595161404621350 0    611249 0      C-13-H3C(O)CH3
  701185.6963  0.0103 -4.2713 3  801.8416A00  595161404621350 0    611349 0      C-13-H3C(O)CH3
  701185.6963  0.0103 -4.0060 3  801.8416A00  595161404621250 0    611349 0      C-13-H3C(O)CH3
  701190.8706  0.0090 -3.8961 3  670.8837824  595161404512427 0    502526 0      C-13-H3C(O)CH3
  701192.2587  0.0089 -3.8961 3  670.8837824  595161404512527 0    502426 0      C-13-H3C(O)CH3
  701210.1161  0.0189 -4.0012 3  801.8184A00  595161404621250 1    611249 1      C-13-H3C(O)CH3
  701210.1161  0.0189 -4.2803 3  801.8184A00  595161404621250 1    611349 1      C-13-H3C(O)CH3
  701210.1161  0.0189 -4.2803 3  801.8184A00  595161404621350 1    611249 1      C-13-H3C(O)CH3
  701210.1161  0.0189 -4.0012 3  801.8184A00  595161404621350 1    611349 1      C-13-H3C(O)CH3
  701210.5678  0.0187 -3.8457 3  801.8182A00  595161404621350 2    611249 2      C-13-H3C(O)CH3
  701210.5678  0.0187 -5.0216 3  801.8182A00  595161404621250 2    611249 2      C-13-H3C(O)CH3
  701210.5678  0.0187 -3.8457 3  801.8182A00  595161404621250 2    611349 2      C-13-H3C(O)CH3
  701210.5678  0.0187 -5.0216 3  801.8182A00  595161404621350 2    611349 2      C-13-H3C(O)CH3
  701231.9745  0.0113 -3.8808 3  687.0049840  595161404522329 1    512428 1      C-13-H3C(O)CH3
  701232.0038  0.0113 -3.8808 3  687.0049840  595161404522429 1    512328 1      C-13-H3C(O)CH3
  701235.0187  0.0149 -4.5758 3  801.7950500  595161404621350 3    611249 3      C-13-H3C(O)CH3
  701235.0187  0.0149 -4.3050 3  801.7950500  595161404621350 3    611349 3      C-13-H3C(O)CH3
  701235.0187  0.0149 -4.5758 3  801.7950500  595161404621250 3    611349 3      C-13-H3C(O)CH3
  701235.0187  0.0149 -4.3050 3  801.7950500  595161404621250 3    611249 3      C-13-H3C(O)CH3
  701235.0378  0.0149 -4.4516 3  801.7950500  595161404621250 4    611349 4      C-13-H3C(O)CH3
  701235.0378  0.0149 -4.3899 3  801.7950500  595161404621250 4    611249 4      C-13-H3C(O)CH3
  701235.0378  0.0149 -4.4516 3  801.7950500  595161404621350 4    611249 4      C-13-H3C(O)CH3
  701235.0378  0.0149 -4.3899 3  801.7950500  595161404621350 4    611349 4      C-13-H3C(O)CH3
  701238.2434  0.0121 -3.8807 3  687.0041840  595161404522329 2    512428 2      C-13-H3C(O)CH3
  701238.2728  0.0121 -3.8807 3  687.0041840  595161404522429 2    512328 2      C-13-H3C(O)CH3
  701239.2338  0.2052 -5.4591 3  991.4475968  595161404603823 1    593920 1      C-13-H3C(O)CH3
  701240.2832  0.0105 -3.8962 3  670.8741824  595161404512427 1    502526 1      C-13-H3C(O)CH3
  701241.7960  0.0105 -3.8962 3  670.8741824  595161404512527 1    502426 1      C-13-H3C(O)CH3
  701249.2368  0.0114 -3.8962 3  670.8729824  595161404512427 2    502526 2      C-13-H3C(O)CH3
  701250.7647  0.0114 -3.8962 3  670.8729824  595161404512527 2    502426 2      C-13-H3C(O)CH3
  701286.1403  0.0137 -4.1818 3  686.9948420  595161404522329 3    512428 3      C-13-H3C(O)CH3
  701286.1738  0.0137 -4.1818 3  686.9948420  595161404522429 3    512328 3      C-13-H3C(O)CH3
  701286.2301  0.0137 -4.1818 3  686.9948420  595161404522329 4    512428 4      C-13-H3C(O)CH3
  701286.2633  0.0137 -4.1818 3  686.9948420  595161404522429 4    512328 4      C-13-H3C(O)CH3
  701298.7070  0.0129 -4.1973 3  670.8632412  595161404512427 3    502526 3      C-13-H3C(O)CH3
  701298.8030  0.0129 -4.1973 3  670.8632412  595161404512427 4    502526 4      C-13-H3C(O)CH3
  701300.3726  0.0129 -4.1973 3  670.8632412  595161404512527 3    502426 3      C-13-H3C(O)CH3
  701300.4600  0.0129 -4.1973 3  670.8632412  595161404512527 4    502426 4      C-13-H3C(O)CH3
  701436.9166  0.0132 -5.5447 3  186.3254212  5951614042621 5 3    2518 7 3      C-13-H3C(O)CH3
  701439.0729  0.2027 -5.9398 3 1232.5512A64  595161404664620 2    654718 2      C-13-H3C(O)CH3
  701467.8987  0.0075 -3.6514 3  434.3047648 -595161404402615 0    392514 0      C-13-H3C(O)CH3
  701494.1841  0.0075 -3.6540 3  434.2869648  595161404402615 1    392514 1      C-13-H3C(O)CH3
  701495.9872  0.2376 -5.9398 3 1232.4988A64  595161404664621 0    654718 0      C-13-H3C(O)CH3
  701497.5457  0.2377 -5.9398 3 1232.4988A64  595161404664620 0    654719 0      C-13-H3C(O)CH3
  701533.3022  0.1857 -6.2406 3 1232.6010532  595161404664620 4    654718 4      C-13-H3C(O)CH3
  701535.2251  0.0103 -3.8704 3  702.4899856 -595161404532231 0    522330 0      C-13-H3C(O)CH3
  701535.2251  0.0103 -3.8704 3  702.4899856 -595161404532331 0    522230 0      C-13-H3C(O)CH3
  701538.7816  0.0155 -5.4937 3  186.3578212  5951614042621 5 4    2518 7 4      C-13-H3C(O)CH3
  701552.3284  0.0107 -3.9758 3  434.2672324  595161404402615 4    392514 4      C-13-H3C(O)CH3
  701581.6235  0.0121 -3.8704 3  702.4809856  595161404532231 1    522330 1      C-13-H3C(O)CH3
  701581.6240  0.0121 -3.8704 3  702.4809856  595161404532331 1    522230 1      C-13-H3C(O)CH3
  701586.2166  0.0128 -3.8704 3  702.4803856  595161404532231 2    522330 2      C-13-H3C(O)CH3
  701586.2171  0.0128 -3.8704 3  702.4803856  595161404532331 2    522230 2      C-13-H3C(O)CH3
  701590.5434  0.2336 -5.9395 3 1232.5485A64  595161404664620 1    654718 1      C-13-H3C(O)CH3
  701605.4438  0.0126 -3.7589 3  454.4864664  595161404412616 0    402515 0      C-13-H3C(O)CH3
  701612.1021  0.0090 -3.6618 3  434.2844648  595161404402615 2    392514 2      C-13-H3C(O)CH3
  701632.7315  0.0145 -4.1714 3  702.4712428  595161404532231 3    522330 3      C-13-H3C(O)CH3
  701632.7320  0.0145 -4.1714 3  702.4712428  595161404532331 3    522230 3      C-13-H3C(O)CH3
  701632.8181  0.0145 -4.1714 3  702.4712428  595161404532231 4    522330 4      C-13-H3C(O)CH3
  701632.8187  0.0145 -4.1714 3  702.4712428  595161404532331 4    522230 4      C-13-H3C(O)CH3
  701674.3816  0.4088 -6.2417 3 1694.6183F12  595161404941283 1    941184 1      C-13-H3C(O)CH3
  701674.3816  0.4088 -6.2417 3 1694.6183F12  595161404941183 1    941084 1      C-13-H3C(O)CH3
  701677.8922  0.0126 -3.7591 3  454.4680664  595161404412616 1    402515 1      C-13-H3C(O)CH3
  701725.3633  0.0111 -3.9543 3  434.2658324  595161404402615 3    392514 3      C-13-H3C(O)CH3
  701753.1520  0.1942 -5.9397 3 1232.5178A64  595161404664621 2    654719 2      C-13-H3C(O)CH3
  701768.5522  0.0130 -5.4870 3  186.2754212  5951614042621 6 4    2518 8 4      C-13-H3C(O)CH3
  701774.9647  0.1453 -5.3188 3  991.4035968  595161404603823 0    593920 0      C-13-H3C(O)CH3
  701791.1273  0.1758 -6.2406 3 1232.5659532  595161404664621 3    654719 3      C-13-H3C(O)CH3
  701802.3037  0.0084 -3.9199 3  654.0455808  595161404502525 0    492624 0      C-13-H3C(O)CH3
  701828.4632  0.2074 -6.1873 3 1322.8185A96  595161404684920 0    675017 0      C-13-H3C(O)CH3
  701828.4866  0.2074 -6.1873 3 1322.8185A96  595161404684919 0    675018 0      C-13-H3C(O)CH3
  701846.8827  0.1798 -6.2406 3 1232.5676532  595161404664620 3    654718 3      C-13-H3C(O)CH3
  701849.1137  0.2126 -5.9395 3 1232.5135A64  595161404664621 1    654719 1      C-13-H3C(O)CH3
  701852.7804  0.0098 -3.9200 3  654.0350808  595161404502525 1    492624 1      C-13-H3C(O)CH3
  701857.1956  0.0082 -3.9198 3  654.0441808  595161404502625 0    492524 0      C-13-H3C(O)CH3
  701865.1245  0.0132 -5.5457 3  186.3079212  5951614042621 6 3    2518 8 3      C-13-H3C(O)CH3
  701866.1648  0.0109 -3.9200 3  654.0331808  595161404502525 2    492624 2      C-13-H3C(O)CH3
  701887.8277  0.0053 -5.2639 3  841.6882564  59516140470 367 4    69 366 4      C-13-H3C(O)CH3
  701887.8277  0.0053 -4.0824 3  841.6882564  59516140470 467 4    69 366 4      C-13-H3C(O)CH3
  701887.8518  0.0053 -4.2623 3  841.6882564  59516140470 367 3    69 366 3      C-13-H3C(O)CH3
  701887.8518  0.0053 -4.2623 3  841.6882564  59516140470 467 3    69 466 3      C-13-H3C(O)CH3
  701887.9158  0.0053 -4.4748 3  841.6882564 -59516140470 367 3    69 466 3      C-13-H3C(O)CH3
  701887.9158  0.0053 -4.4748 3  841.6882564 -59516140470 467 3    69 366 3      C-13-H3C(O)CH3
  701887.9158  0.0053 -5.2639 3  841.6882564 -59516140470 467 4    69 466 4      C-13-H3C(O)CH3
  701887.9158  0.0053 -4.0824 3  841.6882564 -59516140470 367 4    69 466 4      C-13-H3C(O)CH3
  701910.7403  0.0097 -3.9199 3  654.0334808  595161404502625 1    492524 1      C-13-H3C(O)CH3
  701913.0369  0.0075 -3.7566 3  841.7002B28  59516140470 367 1    69 466 1      C-13-H3C(O)CH3
  701913.0369  0.0075 -5.9205 3  841.7002B28  59516140470 467 1    69 466 1      C-13-H3C(O)CH3
  701913.0926  0.0077 -3.8901 3  841.6999B28  59516140470 467 2    69 466 2      C-13-H3C(O)CH3
  701913.0926  0.0077 -4.3229 3  841.6999B28  59516140470 367 2    69 466 2      C-13-H3C(O)CH3
  701913.1114  0.0077 -4.3229 3  841.6999B28 -59516140470 467 2    69 366 2      C-13-H3C(O)CH3
  701913.1114  0.0075 -3.7566 3  841.7002B28 -59516140470 467 1    69 366 1      C-13-H3C(O)CH3
  701913.1114  0.0075 -5.9205 3  841.7002B28 -59516140470 367 1    69 366 1      C-13-H3C(O)CH3
  701913.1114  0.0077 -3.8901 3  841.6999B28 -59516140470 367 2    69 366 2      C-13-H3C(O)CH3
  701913.8635  0.0066 -4.2696 3  281.1938268  595161404331915 4    321616 4      C-13-H3C(O)CH3
  701915.3589  0.0062 -4.2696 3  281.1938268  595161404331915 3    321616 3      C-13-H3C(O)CH3
  701916.5885  0.0122 -4.2212 3  654.0225404  595161404502525 3    492624 3      C-13-H3C(O)CH3
  701916.7716  0.0122 -4.2212 3  654.0225404  595161404502525 4    492624 4      C-13-H3C(O)CH3
  701922.3466  0.2009 -6.1874 3 1322.8625A96  595161404684919 2    675017 2      C-13-H3C(O)CH3
  701924.9481  0.0105 -3.9200 3  654.0316808  595161404502625 2    492524 2      C-13-H3C(O)CH3
  701925.2444  0.0061 -3.9688 3  281.2131536  595161404331915 2    321616 2      C-13-H3C(O)CH3
  701933.5548  0.0113 -5.1959 3  186.3552424  5951614042621 5 1    2518 7 1      C-13-H3C(O)CH3
  701938.2156  0.0057 -4.7171 3  841.7119B28 -59516140470 367 0    69 366 0      C-13-H3C(O)CH3
  701938.2156  0.0057 -3.8037 3  841.7119B28 -59516140470 467 0    69 366 0      C-13-H3C(O)CH3
  701938.2482  0.0057 -4.7171 3  841.7119B28  59516140470 467 0    69 466 0      C-13-H3C(O)CH3
  701938.2482  0.0057 -3.8037 3  841.7119B28  59516140470 367 0    69 466 0      C-13-H3C(O)CH3
  701939.6961  0.1557 -5.9351 3  991.4479484  595161404603823 4    593921 4      C-13-H3C(O)CH3
  701945.1051  0.0167 -3.7589 3  454.4585664  595161404412616 2    402515 2      C-13-H3C(O)CH3
  701952.8072  0.0059 -3.9686 3  281.2181536  595161404331915 1    321616 1      C-13-H3C(O)CH3
  701962.8554  0.0059 -3.9688 3  281.2375536  595161404331915 0    321616 0      C-13-H3C(O)CH3
  701976.1742  0.0157 -4.0621 3  454.4403332  595161404412616 4    402515 4      C-13-H3C(O)CH3
  701978.6744  0.0118 -4.2211 3  654.0209404  595161404502625 4    492524 4      C-13-H3C(O)CH3
  701978.6773  0.0118 -4.2211 3  654.0209404  595161404502625 3    492524 3      C-13-H3C(O)CH3
  702009.0676  0.2722 -6.2064 3 1638.2270E96  595161404931083 0    931084 0      C-13-H3C(O)CH3
  702009.0676  0.2722 -6.2064 3 1638.2270E96  595161404931183 0    93 984 0      C-13-H3C(O)CH3
  702049.0598  0.1459 -5.8308 3  991.4203968  595161404603823 2    593921 2      C-13-H3C(O)CH3
  702053.1938  0.0204 -4.0582 3  454.4398332  595161404412616 3    402515 3      C-13-H3C(O)CH3
  702069.0290  0.2126 -6.1871 3 1322.8579A96  595161404684919 1    675017 1      C-13-H3C(O)CH3
  702079.0751  0.1501 -5.8770 3  991.4195968  595161404603823 1    593921 1      C-13-H3C(O)CH3
  702105.9679  0.1817 -6.2405 3 1232.5326532  595161404664621 4    654719 4      C-13-H3C(O)CH3
  702109.0325  0.0109 -3.8634 3  717.3443872 -595161404542233 0    532132 0      C-13-H3C(O)CH3
  702109.0325  0.0109 -3.8634 3  717.3443872 -595161404542133 0    532232 0      C-13-H3C(O)CH3
  702112.9813  0.1801 -6.1873 3 1322.8160A96  595161404684920 2    675018 2      C-13-H3C(O)CH3
  702136.3989  0.1882 -6.1871 3 1322.8115A96  595161404684920 1    675018 1      C-13-H3C(O)CH3
  702154.1954  0.0129 -3.8634 3  717.3350872  595161404542233 1    532132 1      C-13-H3C(O)CH3
  702154.1954  0.0129 -3.8634 3  717.3350872  595161404542133 1    532232 1      C-13-H3C(O)CH3
  702154.8384  0.0063 -3.6789 3  410.8833632  595161404392514 0    382415 0      C-13-H3C(O)CH3
  702157.6664  0.0134 -3.8633 3  717.3346872  595161404542133 2    532232 2      C-13-H3C(O)CH3
  702157.6664  0.0134 -3.8633 3  717.3346872  595161404542233 2    532132 2      C-13-H3C(O)CH3
  702186.3064  0.0083 -3.6802 3  410.8620632  595161404392514 2    382415 2      C-13-H3C(O)CH3
  702202.8546  0.0152 -4.1643 3  717.3253436  595161404542133 3    532232 3      C-13-H3C(O)CH3
  702202.8547  0.0152 -4.1643 3  717.3253436  595161404542233 3    532132 3      C-13-H3C(O)CH3
  702202.9375  0.0152 -4.1643 3  717.3253436  595161404542133 4    532232 4      C-13-H3C(O)CH3
  702202.9375  0.0152 -4.1643 3  717.3253436  595161404542233 4    532132 4      C-13-H3C(O)CH3
  702211.5415  0.0098 -3.9794 3  410.8425316  595161404392514 3    382415 3      C-13-H3C(O)CH3
  702212.5299  0.0066 -3.6794 3  410.8636632  595161404392514 1    382415 1      C-13-H3C(O)CH3
  702220.6818  0.3131 -6.1607 3 1638.2196E96  595161404931183 2    931084 2      C-13-H3C(O)CH3
  702220.6818  0.3131 -6.1607 3 1638.2196E96  595161404931083 2    93 984 2      C-13-H3C(O)CH3
  702221.0464  0.3041 -6.1734 3 1638.2198E96  595161404931083 1    931084 1      C-13-H3C(O)CH3
  702221.0464  0.3041 -6.1734 3 1638.2198E96  595161404931183 1    93 984 1      C-13-H3C(O)CH3
  702221.3585  0.0108 -5.1931 3  186.3066424  5951614042621 6 1    2518 8 1      C-13-H3C(O)CH3
  702276.5746  0.0090 -3.9839 3  410.8418316  595161404392514 4    382415 4      C-13-H3C(O)CH3
  702285.1313  0.0105 -5.5552 3  811.0326A16  595161404631252 0    621151 0      C-13-H3C(O)CH3
  702285.1313  0.0105 -3.8238 3  811.0326A16  595161404631252 0    621251 0      C-13-H3C(O)CH3
  702285.1313  0.0105 -3.8238 3  811.0326A16  595161404631152 0    621151 0      C-13-H3C(O)CH3
  702285.1313  0.0105 -5.5552 3  811.0326A16  595161404631152 0    621251 0      C-13-H3C(O)CH3
  702290.8659  0.0114 -5.1995 3  186.3196424  5951614042621 6 2    2518 8 2      C-13-H3C(O)CH3
  702291.2044  0.0111 -5.2033 3  186.3554424  5951614042621 5 2    2518 7 2      C-13-H3C(O)CH3
  702305.3388  0.0202 -3.8429 3  811.0073A16  595161404631152 1    621251 1      C-13-H3C(O)CH3
  702305.3388  0.0202 -5.0337 3  811.0073A16  595161404631252 1    621251 1      C-13-H3C(O)CH3
  702305.3388  0.0202 -5.0337 3  811.0073A16  595161404631152 1    621151 1      C-13-H3C(O)CH3
  702305.3388  0.0202 -3.8429 3  811.0073A16  595161404631252 1    621151 1      C-13-H3C(O)CH3
  702305.7181  0.0199 -3.8158 3  811.0070A16  595161404631152 2    621151 2      C-13-H3C(O)CH3
  702305.7181  0.0199 -3.8228 3  811.0070A16  595161404631252 2    621251 2      C-13-H3C(O)CH3
  702305.7181  0.0199 -5.6054 3  811.0070A16  595161404631252 2    621151 2      C-13-H3C(O)CH3
  702325.9525  0.0145 -4.6377 3  810.9816508  595161404631152 3    621251 3      C-13-H3C(O)CH3
  702325.9525  0.0145 -4.2724 3  810.9816508  595161404631152 3    621151 3      C-13-H3C(O)CH3
  702325.9525  0.0145 -4.2724 3  810.9816508  595161404631252 3    621251 3      C-13-H3C(O)CH3
  702325.9525  0.0145 -4.6377 3  810.9816508  595161404631252 3    621151 3      C-13-H3C(O)CH3
  702325.9607  0.0145 -4.2046 3  810.9816508  595161404631252 4    621251 4      C-13-H3C(O)CH3
  702325.9607  0.0145 -4.8536 3  810.9816508  595161404631252 4    621151 4      C-13-H3C(O)CH3
  702325.9607  0.0145 -4.8536 3  810.9816508  595161404631152 4    621251 4      C-13-H3C(O)CH3
  702325.9607  0.0145 -4.2046 3  810.9816508  595161404631152 4    621151 4      C-13-H3C(O)CH3
  702339.9230  0.0063 -4.4891 3  206.0863244  595161404301119 4    291020 4      C-13-H3C(O)CH3
  702339.9314  0.0063 -4.4891 3  206.0863244  595161404301219 4    29 920 4      C-13-H3C(O)CH3
  702340.2719  0.0051 -4.4891 3  206.0863244  595161404301119 3    291020 3      C-13-H3C(O)CH3
  702340.2803  0.0051 -4.4891 3  206.0863244  595161404301219 3    29 920 3      C-13-H3C(O)CH3
  702491.1739  0.0045 -3.1721 3  399.3068584 -5951614043633 3 0    3532 4 0      C-13-H3C(O)CH3
  702491.1739  0.0045 -3.1721 3  399.3068584 -5951614043633 4 0    3532 3 0      C-13-H3C(O)CH3
  702506.6886  0.0046 -3.1721 3  399.2557584 -5951614043633 4 2    3532 4 2      C-13-H3C(O)CH3
  702537.8178  0.2042 -6.1100 3 1582.4102E80  59516140492 983 0    92 984 0      C-13-H3C(O)CH3
  702537.8178  0.2042 -6.1100 3 1582.4102E80  595161404921083 0    92 884 0      C-13-H3C(O)CH3
  702550.7248  0.0118 -5.1918 3  186.3572424  5951614042621 6 0    2518 7 0      C-13-H3C(O)CH3
  702557.5745  0.0048 -4.1878 3  206.0914488  595161404301119 2    291020 2      C-13-H3C(O)CH3
  702557.5830  0.0048 -4.1878 3  206.0914488  595161404301219 2    29 920 2      C-13-H3C(O)CH3
  702567.5226  0.0049 -3.1719 3  399.2432584 -5951614043633 4 1    3532 4 1      C-13-H3C(O)CH3
  702574.3681  0.0049 -4.1878 3  206.0929488  595161404301119 1    291020 1      C-13-H3C(O)CH3
  702574.3761  0.0049 -4.1878 3  206.0929488  595161404301219 1    29 920 1      C-13-H3C(O)CH3
  702583.6288  0.0069 -3.4729 3  399.1920292  5951614043633 4 4    3532 4 4      C-13-H3C(O)CH3
  702651.3603  0.0048 -3.1719 3  399.2751584 -5951614043633 3 2    3532 3 2      C-13-H3C(O)CH3
  702724.9176  0.0048 -3.1717 3  399.2848584 -5951614043633 3 1    3532 3 1      C-13-H3C(O)CH3
  702727.5486  0.0069 -3.4727 3  399.2115292  5951614043633 4 3    3532 4 3      C-13-H3C(O)CH3
  702740.4061  0.0067 -3.4727 3  399.2337292  5951614043633 3 3    3532 3 3      C-13-H3C(O)CH3
  702758.6440  0.2146 -6.0819 3 1582.3944E80  59516140492 983 2    92 884 2      C-13-H3C(O)CH3
  702758.6440  0.2146 -6.0819 3 1582.3944E80  595161404921083 2    92 984 2      C-13-H3C(O)CH3
  702760.4038  0.2118 -6.0826 3 1582.3946E80  595161404921083 1    92 984 1      C-13-H3C(O)CH3
  702760.4038  0.2118 -6.0826 3 1582.3946E80  59516140492 983 1    92 884 1      C-13-H3C(O)CH3
  702791.2640  0.0049 -4.1874 3  206.0981488  595161404301119 0    291020 0      C-13-H3C(O)CH3
  702791.2721  0.0049 -4.1874 3  206.0981488  595161404301219 0    29 920 0      C-13-H3C(O)CH3
  702830.1336  0.0114 -3.9671 3  731.5988888  595161404552135 0    542034 0      C-13-H3C(O)CH3
  702830.1336  0.0114 -4.5493 3  731.5988888  595161404552135 0    542134 0      C-13-H3C(O)CH3
  702830.1336  0.0114 -3.8740 3  731.5988888  595161404552035 0    542134 0      C-13-H3C(O)CH3
  702830.1336  0.0114 -5.2207 3  731.5988888  595161404552035 0    542034 0      C-13-H3C(O)CH3
  702862.4590  0.1198 -5.5539 3 1010.3812984  595161404613626 0    603723 0      C-13-H3C(O)CH3
  702873.9108  0.0136 -5.4076 3  731.5891888  595161404552035 1    542034 1      C-13-H3C(O)CH3
  702873.9108  0.0136 -3.8586 3  731.5891888  595161404552135 1    542034 1      C-13-H3C(O)CH3
  702873.9108  0.0136 -3.8695 3  731.5891888  595161404552035 1    542134 1      C-13-H3C(O)CH3
  702876.5890  0.0140 -3.8683 3  731.5887888  595161404552035 2    542034 2      C-13-H3C(O)CH3
  702876.5890  0.0140 -5.3466 3  731.5887888  595161404552035 2    542134 2      C-13-H3C(O)CH3
  702876.5890  0.0140 -3.8728 3  731.5887888  595161404552135 2    542134 2      C-13-H3C(O)CH3
  702876.5890  0.0140 -5.5082 3  731.5887888  595161404552135 2    542034 2      C-13-H3C(O)CH3
  702881.2256  0.0117 -5.1915 3  186.3462424  5951614042621 5 0    2518 8 0      C-13-H3C(O)CH3
  702884.3689  0.0070 -3.4726 3  399.2531292  5951614043633 3 4    3532 3 4      C-13-H3C(O)CH3
  702920.4231  0.0158 -4.1614 3  731.5790444  595161404552035 3    542134 3      C-13-H3C(O)CH3
  702920.4231  0.0158 -4.2014 3  731.5790444  595161404552135 3    542034 3      C-13-H3C(O)CH3
  702920.4231  0.0158 -5.1526 3  731.5790444  595161404552135 3    542134 3      C-13-H3C(O)CH3
  702920.5016  0.0159 -4.1595 3  731.5789444  595161404552135 4    542034 4      C-13-H3C(O)CH3
  702920.5016  0.0159 -4.1595 3  731.5789444  595161404552035 4    542134 4      C-13-H3C(O)CH3
  703030.9807  0.0097 -3.9612 3  636.4134792  595161404492623 0    482722 0      C-13-H3C(O)CH3
  703063.8600  0.0135 -6.0308 3  150.8455392  5951614042418 7 0    231310 0      C-13-H3C(O)CH3
  703064.2653  0.0104 -3.9615 3  636.4018792  595161404492623 1    482722 1      C-13-H3C(O)CH3
  703071.5529  0.0049 -5.6348 3  846.0156572  59516140471 369 3    70 368 3      C-13-H3C(O)CH3
  703071.5529  0.0049 -4.0592 3  846.0156572  59516140471 269 3    70 368 3      C-13-H3C(O)CH3
  703071.5531  0.0049 -4.6067 3  846.0156572  59516140471 369 4    70 368 4      C-13-H3C(O)CH3
  703071.5531  0.0049 -4.1882 3  846.0156572  59516140471 269 4    70 368 4      C-13-H3C(O)CH3
  703071.6328  0.0049 -4.1882 3  846.0156572 -59516140471 369 4    70 268 4      C-13-H3C(O)CH3
  703071.6328  0.0049 -4.0592 3  846.0156572 -59516140471 369 3    70 268 3      C-13-H3C(O)CH3
  703071.6328  0.0049 -4.6067 3  846.0156572 -59516140471 269 4    70 268 4      C-13-H3C(O)CH3
  703071.6328  0.0049 -5.6348 3  846.0156572 -59516140471 269 3    70 268 3      C-13-H3C(O)CH3
  703078.0402  0.0134 -3.9615 3  636.3988792  595161404492623 2    482722 2      C-13-H3C(O)CH3
  703082.6280  0.1556 -6.0839 3 1527.1669E64  59516140491 883 0    91 884 0      C-13-H3C(O)CH3
  703096.5242  0.0081 -4.0166 3  846.0118B44 -59516140471 269 1    70 368 1      C-13-H3C(O)CH3
  703096.5242  0.0081 -4.0814 3  846.0118B44 -59516140471 269 1    70 268 1      C-13-H3C(O)CH3
  703096.5242  0.0085 -3.7565 3  846.0114B44 -59516140471 269 2    70 268 2      C-13-H3C(O)CH3
  703096.5242  0.0085 -5.3996 3  846.0114B44 -59516140471 269 2    70 368 2      C-13-H3C(O)CH3
  703096.5242  0.0085 -3.7565 3  846.0114B44 -59516140471 369 2    70 368 2      C-13-H3C(O)CH3
  703096.5242  0.0081 -4.0814 3  846.0118B44 -59516140471 369 1    70 368 1      C-13-H3C(O)CH3
  703096.5242  0.0081 -4.0166 3  846.0118B44 -59516140471 369 1    70 268 1      C-13-H3C(O)CH3
  703096.5242  0.0085 -5.3996 3  846.0114B44 -59516140471 369 2    70 268 2      C-13-H3C(O)CH3
  703109.9810  0.0138 -4.2629 3  636.3872396  595161404492623 3    482722 3      C-13-H3C(O)CH3
  703111.5025  0.0139 -4.2628 3  636.3871396  595161404492623 4    482722 4      C-13-H3C(O)CH3
  703121.5369  0.0058 -4.2157 3  846.0076B44  59516140471 269 0    70 368 0      C-13-H3C(O)CH3
  703121.5369  0.0058 -4.2157 3  846.0076B44  59516140471 369 0    70 268 0      C-13-H3C(O)CH3
  703121.5473  0.0058 -3.9270 3  846.0076B44 -59516140471 269 0    70 268 0      C-13-H3C(O)CH3
  703121.5473  0.0058 -3.9270 3  846.0076B44 -59516140471 369 0    70 368 0      C-13-H3C(O)CH3
  703143.1367  0.1124 -5.5480 3 1010.3806984  595161404613626 1    603723 1      C-13-H3C(O)CH3
  703154.2562  0.1394 -5.5483 3 1010.3814984  595161404613626 2    603723 2      C-13-H3C(O)CH3
  703294.7255  0.1777 -6.0511 3 1527.1432E64  59516140491 983 1    91 784 1      C-13-H3C(O)CH3
  703294.7255  0.1777 -6.0511 3 1527.1432E64  59516140491 883 1    91 884 1      C-13-H3C(O)CH3
  703398.7163  0.0107 -5.3709 3  819.6816A32  595161404641054 0    631153 0      C-13-H3C(O)CH3
  703398.7163  0.0107 -3.8258 3  819.6816A32  595161404641054 0    631053 0      C-13-H3C(O)CH3
  703398.7163  0.0107 -5.7923 3  819.6816A32  595161404641154 0    631053 0      C-13-H3C(O)CH3
  703398.7163  0.0107 -3.8182 3  819.6816A32  595161404641154 0    631153 0      C-13-H3C(O)CH3
  703399.3307  0.1271 -5.8440 3 1010.3820492  595161404613626 4    603723 4      C-13-H3C(O)CH3
  703414.1079  0.0213 -3.8709 3  819.6541A32  595161404641054 1    631153 1      C-13-H3C(O)CH3
  703414.1079  0.0213 -4.7212 3  819.6541A32  595161404641054 1    631053 1      C-13-H3C(O)CH3
  703414.1079  0.0213 -3.8709 3  819.6541A32  595161404641154 1    631053 1      C-13-H3C(O)CH3
  703414.1079  0.0213 -4.7212 3  819.6541A32  595161404641154 1    631153 1      C-13-H3C(O)CH3
  703414.4451  0.0210 -4.2992 3  819.6539A32  595161404641054 2    631153 2      C-13-H3C(O)CH3
  703414.4451  0.0210 -3.9854 3  819.6539A32  595161404641054 2    631053 2      C-13-H3C(O)CH3
  703414.4451  0.0210 -3.9854 3  819.6539A32  595161404641154 2    631153 2      C-13-H3C(O)CH3
  703414.4451  0.0210 -4.2992 3  819.6539A32  595161404641154 2    631053 2      C-13-H3C(O)CH3
  703429.8558  0.0139 -5.7074 3  819.6263516  595161404641154 4    631153 4      C-13-H3C(O)CH3
  703429.8558  0.0139 -4.1257 3  819.6263516  595161404641054 4    631153 4      C-13-H3C(O)CH3
  703429.8558  0.0139 -4.1257 3  819.6263516  595161404641154 4    631053 4      C-13-H3C(O)CH3
  703429.8558  0.0139 -5.7074 3  819.6263516  595161404641054 4    631053 4      C-13-H3C(O)CH3
  703429.8594  0.0139 -4.2900 3  819.6263516  595161404641154 3    631053 3      C-13-H3C(O)CH3
  703429.8594  0.0139 -4.5927 3  819.6263516  595161404641054 3    631053 3      C-13-H3C(O)CH3
  703429.8594  0.0139 -4.2900 3  819.6263516  595161404641054 3    631153 3      C-13-H3C(O)CH3
  703429.8594  0.0139 -4.5927 3  819.6263516  595161404641154 3    631153 3      C-13-H3C(O)CH3
  703450.3833  0.1431 -5.8431 3 1010.3805492  595161404613626 3    603723 3      C-13-H3C(O)CH3
  703652.8358  0.0117 -4.9519 3  745.2684904  595161404561937 0    551936 0      C-13-H3C(O)CH3
  703652.8358  0.0117 -4.9519 3  745.2684904  595161404562037 0    552036 0      C-13-H3C(O)CH3
  703652.8358  0.0117 -3.8913 3  745.2684904  595161404562037 0    551936 0      C-13-H3C(O)CH3
  703652.8358  0.0117 -3.8913 3  745.2684904  595161404561937 0    552036 0      C-13-H3C(O)CH3
  703653.9754  0.1444 -6.0923 3 1472.4963E48  59516140490 883 0    90 684 0      C-13-H3C(O)CH3
  703653.9754  0.1444 -6.0923 3 1472.4963E48  59516140490 783 0    90 784 0      C-13-H3C(O)CH3
  703695.1811  0.0142 -3.9426 3  745.2580904  595161404561937 1    551936 1      C-13-H3C(O)CH3
  703695.1811  0.0142 -3.9426 3  745.2580904  595161404562037 1    552036 1      C-13-H3C(O)CH3
  703695.1811  0.0142 -4.5940 3  745.2580904  595161404562037 1    551936 1      C-13-H3C(O)CH3
  703695.1811  0.0142 -4.5940 3  745.2580904  595161404561937 1    552036 1      C-13-H3C(O)CH3
  703697.2747  0.0145 -3.9105 3  745.2577904  595161404562037 2    552036 2      C-13-H3C(O)CH3
  703697.2747  0.0145 -4.7767 3  745.2577904  595161404562037 2    551936 2      C-13-H3C(O)CH3
  703697.2747  0.0145 -3.9105 3  745.2577904  595161404561937 2    551936 2      C-13-H3C(O)CH3
  703697.2747  0.0145 -4.7767 3  745.2577904  595161404561937 2    552036 2      C-13-H3C(O)CH3
  703739.6740  0.0163 -4.4538 3  745.2472452  595161404561937 3    552036 3      C-13-H3C(O)CH3
  703739.6740  0.0163 -4.4605 3  745.2472452  595161404562037 3    552036 3      C-13-H3C(O)CH3
  703739.6740  0.0163 -4.4538 3  745.2472452  595161404562037 3    551936 3      C-13-H3C(O)CH3
  703739.6740  0.0163 -4.4605 3  745.2472452  595161404561937 3    551936 3      C-13-H3C(O)CH3
  703739.7478  0.0164 -4.3463 3  745.2472452  595161404561937 4    552036 4      C-13-H3C(O)CH3
  703739.7478  0.0164 -4.7480 3  745.2472452  595161404561937 4    551936 4      C-13-H3C(O)CH3
  703739.7478  0.0164 -4.6062 3  745.2472452  595161404562037 4    552036 4      C-13-H3C(O)CH3
  703739.7478  0.0164 -4.2845 3  745.2472452  595161404562037 4    551936 4      C-13-H3C(O)CH3
  703763.3541  0.0452 -4.9666 3  419.0487316  595161404392713 4    382612 4      C-13-H3C(O)CH3
  703773.4718  0.2436 -5.0561 3  764.8464428  595161404533221 3    523320 3      C-13-H3C(O)CH3
  703825.6744  0.2082 -6.1172 3 1472.4662E48  59516140490 883 2    90 684 2      C-13-H3C(O)CH3
  703825.6744  0.2082 -6.1172 3 1472.4662E48  59516140490 783 2    90 784 2      C-13-H3C(O)CH3
  703826.7902  0.2206 -5.9624 3 1472.4662E48  59516140490 783 1    90 784 1      C-13-H3C(O)CH3
  703826.7902  0.2206 -5.9624 3 1472.4662E48  59516140490 883 1    90 684 1      C-13-H3C(O)CH3
  703888.1508  0.1735 -6.1508 3 1146.1551516  595161404644321 4    634419 4      C-13-H3C(O)CH3
  703976.3877  0.2137 -5.9607 3 1146.1049A32  595161404644322 2    634419 2      C-13-H3C(O)CH3
  704008.9802  0.2162 -5.0668 3  764.8394428  595161404533221 4    523320 4      C-13-H3C(O)CH3
  704048.6471  0.2308 -6.0437 3 1146.1049A32  595161404644321 2    634419 2      C-13-H3C(O)CH3
  704127.2129  0.0377 -4.3778 3  419.0635632  595161404392713 2    382612 2      C-13-H3C(O)CH3
  704129.1153  0.0040 -3.2461 3  403.9570600 -5951614043731 7 0    3630 6 0      C-13-H3C(O)CH3
  704129.1153  0.0040 -3.2461 3  403.9570600 -5951614043731 6 0    3630 7 0      C-13-H3C(O)CH3
  704143.4111  0.2318 -5.8349 3 1146.1036A32  595161404644321 1    634419 1      C-13-H3C(O)CH3
  704152.7654  0.0044 -3.2462 3  403.9267600 -5951614043731 7 2    3630 7 2      C-13-H3C(O)CH3
  704161.6913  0.0045 -3.2461 3  403.9078600 -5951614043731 7 1    3630 7 1      C-13-H3C(O)CH3
  704186.2379  0.0058 -3.5472 3  403.8773300  5951614043731 7 4    3630 7 4      C-13-H3C(O)CH3
  704206.2277  0.2221 -5.5631 3  950.6878476  595161404593624 4    583721 4      C-13-H3C(O)CH3
  704229.6312  0.2442 -5.6992 3 1146.0535A32  595161404644322 0    634419 0      C-13-H3C(O)CH3
  704248.4417  0.0044 -3.2461 3  403.9381600 -5951614043731 6 2    3630 6 2      C-13-H3C(O)CH3
  704264.1955  0.1619 -5.9928 3 1418.3977E32  59516140489 683 0    89 684 0      C-13-H3C(O)CH3
  704264.1955  0.1619 -5.9928 3 1418.3977E32  59516140489 783 0    89 584 0      C-13-H3C(O)CH3
  704265.6944  0.2018 -6.1194 3 1146.1397516  595161404644322 3    634420 3      C-13-H3C(O)CH3
  704268.4174  0.0060 -4.8665 3  849.8160580  59516140472 271 3    71 270 3      C-13-H3C(O)CH3
  704268.4174  0.0060 -4.1105 3  849.8160580  59516140472 171 3    71 270 3      C-13-H3C(O)CH3
  704268.4348  0.0060 -4.7281 3  849.8161580  59516140472 271 4    71 270 4      C-13-H3C(O)CH3
  704268.4348  0.0060 -4.1400 3  849.8161580  59516140472 171 4    71 270 4      C-13-H3C(O)CH3
  704268.4717  0.0060 -4.8665 3  849.8160580 -59516140472 171 3    71 170 3      C-13-H3C(O)CH3
  704268.4717  0.0060 -4.1400 3  849.8161580 -59516140472 271 4    71 170 4      C-13-H3C(O)CH3
  704268.4717  0.0060 -4.7281 3  849.8161580 -59516140472 171 4    71 170 4      C-13-H3C(O)CH3
  704268.4717  0.0060 -4.1105 3  849.8160580 -59516140472 271 3    71 170 3      C-13-H3C(O)CH3
  704277.7101  0.2039 -6.1195 3 1146.1421516  595161404644321 3    634419 3      C-13-H3C(O)CH3
  704281.6663  0.0059 -3.5471 3  403.8888300  5951614043731 7 3    3630 7 3      C-13-H3C(O)CH3
  704287.1711  0.0092 -3.8868 3  849.7878B60  59516140472 171 2    71 270 2      C-13-H3C(O)CH3
  704287.1711  0.0092 -4.2796 3  849.7878B60  59516140472 271 2    71 270 2      C-13-H3C(O)CH3
  704287.1732  0.0086 -4.1000 3  849.7882B60 -59516140472 171 1    71 170 1      C-13-H3C(O)CH3
  704287.1732  0.0092 -4.2796 3  849.7878B60 -59516140472 171 2    71 170 2      C-13-H3C(O)CH3
  704287.1732  0.0092 -3.8868 3  849.7878B60 -59516140472 271 2    71 170 2      C-13-H3C(O)CH3
  704287.1732  0.0086 -3.9877 3  849.7882B60 -59516140472 271 1    71 170 1      C-13-H3C(O)CH3
  704287.2569  0.0086 -4.1000 3  849.7882B60  59516140472 271 1    71 270 1      C-13-H3C(O)CH3
  704287.2569  0.0086 -3.9877 3  849.7882B60  59516140472 171 1    71 270 1      C-13-H3C(O)CH3
  704304.6098  0.2448 -5.6991 3 1146.0535A32  595161404644321 0    634420 0      C-13-H3C(O)CH3
  704305.8741  0.0061 -3.8445 3  849.7601B60 -59516140472 271 0    71 270 0      C-13-H3C(O)CH3
  704305.8741  0.0061 -4.4059 3  849.7601B60 -59516140472 171 0    71 270 0      C-13-H3C(O)CH3
  704305.9586  0.0061 -3.8445 3  849.7601B60  59516140472 171 0    71 170 0      C-13-H3C(O)CH3
  704305.9586  0.0061 -4.4059 3  849.7601B60  59516140472 271 0    71 170 0      C-13-H3C(O)CH3
  704310.8465  0.0044 -3.2459 3  403.9312600 -5951614043731 6 1    3630 6 1      C-13-H3C(O)CH3
  704335.2648  0.0058 -3.5470 3  403.9008300  5951614043731 6 3    3630 6 3      C-13-H3C(O)CH3
  704359.9523  0.2834 -6.0755 3 1418.3640E32  59516140489 783 1    89 684 1      C-13-H3C(O)CH3
  704359.9523  0.2834 -6.0755 3 1418.3640E32  59516140489 683 1    89 584 1      C-13-H3C(O)CH3
  704360.5935  0.2741 -6.0563 3 1418.3639E32  59516140489 683 2    89 684 2      C-13-H3C(O)CH3
  704360.5935  0.2741 -6.0563 3 1418.3639E32  59516140489 783 2    89 584 2      C-13-H3C(O)CH3
  704364.2265  0.3150 -6.0436 3 1146.0919A32  595161404644322 2    634420 2      C-13-H3C(O)CH3
  704429.9850  0.0064 -3.5469 3  403.9122300  5951614043731 6 4    3630 6 4      C-13-H3C(O)CH3
  704436.4859  0.2884 -5.9604 3 1146.0919A32  595161404644321 2    634420 2      C-13-H3C(O)CH3
  704472.5756  0.1316 -5.5413 3  950.6799476  595161404593624 3    583721 3      C-13-H3C(O)CH3
  704474.7463  0.0199 -3.9103 3  419.0482632  595161404392713 1    382612 1      C-13-H3C(O)CH3
  704521.1966  0.2660 -5.8347 3 1146.0883A32  595161404644322 1    634420 1      C-13-H3C(O)CH3
  704521.2272  0.0088 -3.9589 3  636.3757792  595161404492723 0    482622 0      C-13-H3C(O)CH3
  704525.0934  0.0110 -3.8114 3  827.7900A48 -595161404651056 0    64 955 0      C-13-H3C(O)CH3
  704525.0934  0.0110 -3.8120 3  827.7900A48 -59516140465 956 0    641055 0      C-13-H3C(O)CH3
  704535.2811  0.0221 -3.8138 3  827.7606A48 -59516140465 956 1    641055 1      C-13-H3C(O)CH3
  704535.2811  0.0221 -5.9828 3  827.7606A48 -59516140465 956 1    64 955 1      C-13-H3C(O)CH3
  704535.2811  0.0217 -4.0414 3  827.7604A48 -59516140465 956 2    641055 2      C-13-H3C(O)CH3
  704535.2811  0.0217 -4.1962 3  827.7604A48 -59516140465 956 2    64 955 2      C-13-H3C(O)CH3
  704535.2811  0.0221 -5.9828 3  827.7606A48 -595161404651056 1    641055 1      C-13-H3C(O)CH3
  704535.2811  0.0217 -4.0414 3  827.7604A48 -595161404651056 2    64 955 2      C-13-H3C(O)CH3
  704535.2811  0.0221 -3.8138 3  827.7606A48 -595161404651056 1    64 955 1      C-13-H3C(O)CH3
  704535.2811  0.0217 -4.1962 3  827.7604A48 -595161404651056 2    641055 2      C-13-H3C(O)CH3
  704545.3080  0.0133 -4.1165 3  827.7308524  59516140465 956 4    64 955 4      C-13-H3C(O)CH3
  704545.3080  0.0133 -6.0854 3  827.7308524  595161404651056 4    64 955 4      C-13-H3C(O)CH3
  704545.3080  0.0133 -4.1165 3  827.7308524  595161404651056 4    641055 4      C-13-H3C(O)CH3
  704545.3080  0.0133 -6.0854 3  827.7308524  59516140465 956 4    641055 4      C-13-H3C(O)CH3
  704545.3237  0.0133 -4.3802 3  827.7309524  595161404651056 3    64 955 3      C-13-H3C(O)CH3
  704545.3237  0.0133 -4.3802 3  827.7309524  59516140465 956 3    641055 3      C-13-H3C(O)CH3
  704545.3237  0.0133 -4.4482 3  827.7309524  595161404651056 3    641055 3      C-13-H3C(O)CH3
  704545.3237  0.0133 -4.4482 3  827.7309524  59516140465 956 3    64 955 3      C-13-H3C(O)CH3
  704548.3234  0.0119 -5.2504 3  758.3640920  595161404571939 0    561938 0      C-13-H3C(O)CH3
  704548.3234  0.0119 -5.2504 3  758.3640920  595161404571839 0    561838 0      C-13-H3C(O)CH3
  704548.3234  0.0119 -3.8705 3  758.3640920  595161404571839 0    561938 0      C-13-H3C(O)CH3
  704548.3234  0.0119 -3.8705 3  758.3640920  595161404571939 0    561838 0      C-13-H3C(O)CH3
  704582.9661  0.0389 -4.2558 3  419.0377316  595161404392713 3    382612 3      C-13-H3C(O)CH3
  704589.1093  0.0148 -4.8496 3  758.3526920  595161404571839 1    561838 1      C-13-H3C(O)CH3
  704589.1093  0.0148 -3.8989 3  758.3526920  595161404571839 1    561938 1      C-13-H3C(O)CH3
  704589.1093  0.0148 -4.8496 3  758.3526920  595161404571939 1    561938 1      C-13-H3C(O)CH3
  704589.1093  0.0148 -3.8989 3  758.3526920  595161404571939 1    561838 1      C-13-H3C(O)CH3
  704590.7569  0.0150 -3.8833 3  758.3523920  595161404571839 2    561838 2      C-13-H3C(O)CH3
  704590.7569  0.0150 -5.0203 3  758.3523920  595161404571839 2    561938 2      C-13-H3C(O)CH3
  704590.7569  0.0150 -3.8833 3  758.3523920  595161404571939 2    561938 2      C-13-H3C(O)CH3
  704590.7569  0.0150 -5.0203 3  758.3523920  595161404571939 2    561838 2      C-13-H3C(O)CH3
  704604.7428  0.0094 -3.9591 3  636.3628792  595161404492723 1    482622 1      C-13-H3C(O)CH3
  704631.5939  0.0167 -6.1936 3  758.3409460  595161404571839 3    561938 3      C-13-H3C(O)CH3
  704631.5939  0.0167 -4.1577 3  758.3409460  595161404571839 3    561838 3      C-13-H3C(O)CH3
  704631.5939  0.0167 -4.1577 3  758.3409460  595161404571939 3    561938 3      C-13-H3C(O)CH3
  704631.5939  0.0167 -6.1936 3  758.3409460  595161404571939 3    561838 3      C-13-H3C(O)CH3
  704631.6625  0.0167 -5.1437 3  758.3409460  595161404571939 4    561838 4      C-13-H3C(O)CH3
  704631.6625  0.0167 -4.2007 3  758.3409460  595161404571839 4    561838 4      C-13-H3C(O)CH3
  704631.6625  0.0167 -4.2007 3  758.3409460  595161404571939 4    561938 4      C-13-H3C(O)CH3
  704631.6625  0.0167 -5.1437 3  758.3409460  595161404571839 4    561938 4      C-13-H3C(O)CH3
  704640.0758  0.0091 -3.9592 3  636.3593792  595161404492723 2    482622 2      C-13-H3C(O)CH3
  704650.5435  0.0046 -3.4845 3  419.0662632 -595161404392713 0    382612 0      C-13-H3C(O)CH3
  704656.6308  0.2604 -6.1504 3 1146.1269516  595161404644322 4    634420 4      C-13-H3C(O)CH3
  704692.4637  0.1655 -5.2478 3  950.6592952  595161404593624 2    583721 2      C-13-H3C(O)CH3
  704723.7526  0.0095 -4.2604 3  636.3464396  595161404492723 4    482622 4      C-13-H3C(O)CH3
  704724.4589  0.1079 -5.2470 3  950.6580952  595161404593624 1    583721 1      C-13-H3C(O)CH3
  704725.1160  0.0096 -4.2604 3  636.3464396  595161404492723 3    482622 3      C-13-H3C(O)CH3
  704748.6003  0.2430 -4.7561 3  764.8335856  595161404533221 2    523320 2      C-13-H3C(O)CH3
  704764.9470  0.0155 -5.7542 3  222.8455236  595161404292010 4    281712 4      C-13-H3C(O)CH3
  704870.8654  0.1427 -6.2386 3 1364.8040708  59516140488 683 4    88 484 4      C-13-H3C(O)CH3
  704870.8654  0.1427 -6.2386 3 1364.8040708  59516140488 583 4    88 584 4      C-13-H3C(O)CH3
  704871.4722  0.1426 -6.1789 3 1364.8040708  59516140488 583 3    88 584 3      C-13-H3C(O)CH3
  704871.4722  0.1426 -6.1771 3 1364.8040708  59516140488 683 3    88 484 3      C-13-H3C(O)CH3
  704898.2093  0.3201 -6.0369 3 1364.8369E16  59516140488 683 1    88 584 1      C-13-H3C(O)CH3
  704898.2093  0.3201 -6.0369 3 1364.8369E16  59516140488 583 1    88 484 1      C-13-H3C(O)CH3
  704900.9433  0.3153 -5.9672 3 1364.8367E16  59516140488 583 2    88 584 2      C-13-H3C(O)CH3
  704900.9433  0.3153 -6.0309 3 1364.8367E16  59516140488 683 2    88 484 2      C-13-H3C(O)CH3
  704927.6077  0.1784 -6.2219 3 1364.8695E16  59516140488 583 0    88 484 0      C-13-H3C(O)CH3
  704927.6077  0.1784 -6.1335 3 1364.8695E16  59516140488 583 0    88 584 0      C-13-H3C(O)CH3
  704927.6077  0.1784 -6.2219 3 1364.8695E16  59516140488 683 0    88 584 0      C-13-H3C(O)CH3
  704927.6077  0.1784 -6.1335 3 1364.8695E16  59516140488 683 0    88 484 0      C-13-H3C(O)CH3
  704974.6234  0.1485 -4.7542 3  764.8322856  595161404533221 1    523320 1      C-13-H3C(O)CH3
  704986.7200  0.0103 -5.6524 3  222.8614472  595161404292010 1    281712 1      C-13-H3C(O)CH3
  705027.9195  0.0066 -3.6887 3  419.0482632 -595161404392712 1    382612 1      C-13-H3C(O)CH3
  705041.6318  0.0208 -6.1093 3  166.3629196  5951614042422 2 4    2319 4 4      C-13-H3C(O)CH3
  705044.6884  0.0081 -4.7039 3  176.8433236  59516140429 821 4    28 722 4      C-13-H3C(O)CH3
  705044.6884  0.0081 -4.7039 3  176.8433236  59516140429 921 4    28 622 4      C-13-H3C(O)CH3
  705044.9833  0.0066 -4.7058 3  176.8433236  59516140429 821 3    28 722 3      C-13-H3C(O)CH3
  705044.9833  0.0066 -4.7058 3  176.8433236  59516140429 921 3    28 622 3      C-13-H3C(O)CH3
  705077.0556  0.0888 -5.2433 3  950.6334952  595161404593624 0    583721 0      C-13-H3C(O)CH3
  705078.0254  0.0082 -3.9648 3  419.0377316  595161404392712 3    382612 3      C-13-H3C(O)CH3
  705103.2343  0.0061 -3.5435 3  419.0635632 -595161404392712 2    382612 2      C-13-H3C(O)CH3
  705105.4497  0.0063 -3.6885 3  419.0271632 -595161404392713 1    382613 1      C-13-H3C(O)CH3
  705124.8981  0.0061 -3.8144 3  419.0033316  595161404392713 4    382613 4      C-13-H3C(O)CH3
  705138.7577  0.0056 -3.5430 3  419.0297632 -595161404392713 2    382613 2      C-13-H3C(O)CH3
  705181.8329  0.0174 -6.1048 3  166.3117196  5951614042422 3 3    2319 4 3      C-13-H3C(O)CH3
  705235.1531  0.1349 -6.1626 3 1311.8595700  59516140487 583 4    87 384 4      C-13-H3C(O)CH3
  705235.1531  0.1349 -6.1626 3 1311.8595700  59516140487 483 4    87 484 4      C-13-H3C(O)CH3
  705235.2503  0.0063 -3.8148 3  419.0487316  595161404392712 4    382612 4      C-13-H3C(O)CH3
  705236.0660  0.1349 -6.1623 3 1311.8595700  59516140487 483 3    87 384 3      C-13-H3C(O)CH3
  705236.0660  0.1349 -6.1623 3 1311.8595700  59516140487 583 3    87 484 3      C-13-H3C(O)CH3
  705258.1830  0.0041 -3.3422 3  410.4299616 -595161404382910 0    3728 9 0      C-13-H3C(O)CH3
  705259.3956  0.0041 -3.3422 3  410.4299616 -5951614043829 9 0    372810 0      C-13-H3C(O)CH3
  705270.1558  0.0049 -3.3424 3  410.3947616 -595161404382910 1    372810 1      C-13-H3C(O)CH3
  705281.4278  0.0075 -3.9641 3  419.0144316  595161404392713 3    382613 3      C-13-H3C(O)CH3
  705309.8329  0.0047 -3.3422 3  410.4091616 -595161404382910 2    372810 2      C-13-H3C(O)CH3
  705313.2376  0.0286 -3.9753 3  544.2933728  595161404452719 0    442618 0      C-13-H3C(O)CH3
  705321.7624  0.0060 -3.6434 3  410.3736308  595161404382910 4    372810 4      C-13-H3C(O)CH3
  705365.7236  0.0045 -3.4838 3  419.0498632  595161404392712 0    382613 0      C-13-H3C(O)CH3
  705373.4741  0.0043 -3.3424 3  410.4259616 -5951614043829 9 2    3728 9 2      C-13-H3C(O)CH3
  705385.8194  0.0056 -3.6436 3  410.3905308  5951614043829 9 3    3728 9 3      C-13-H3C(O)CH3
  705386.1644  0.0257 -5.1133 3  240.9676244  595161404302110 4    291811 4      C-13-H3C(O)CH3
  705399.2907  0.0058 -4.4014 3  176.8330472  59516140429 921 2    28 622 2      C-13-H3C(O)CH3
  705399.2907  0.0058 -4.4014 3  176.8330472  59516140429 821 2    28 722 2      C-13-H3C(O)CH3
  705401.1067  0.0041 -3.3422 3  410.4085616 -5951614043829 9 1    3728 9 1      C-13-H3C(O)CH3
  705409.6763  0.0061 -4.4017 3  176.8339472  59516140429 821 1    28 722 1      C-13-H3C(O)CH3
  705409.6763  0.0061 -4.4028 3  176.8339472  59516140429 921 1    28 622 1      C-13-H3C(O)CH3
  705446.2681  0.3051 -5.8992 3 1311.8850E00  59516140487 583 1    87 484 1      C-13-H3C(O)CH3
  705446.2681  0.3051 -5.8992 3 1311.8850E00  59516140487 483 1    87 384 1      C-13-H3C(O)CH3
  705450.5455  0.3045 -6.0195 3 1311.8846E00  59516140487 483 2    87 384 2      C-13-H3C(O)CH3
  705450.5455  0.3045 -6.0195 3 1311.8846E00  59516140487 583 2    87 484 2      C-13-H3C(O)CH3
  705453.3787  0.0053 -3.6432 3  410.3875308  595161404382910 3    372810 3      C-13-H3C(O)CH3
  705480.8470  0.0097 -4.4018 3  853.0923588 -59516140473 073 4    72 072 4      C-13-H3C(O)CH3
  705480.8470  0.0097 -4.4018 3  853.0923588 -59516140473 173 4    72 172 4      C-13-H3C(O)CH3
  705480.8470  0.0098 -4.1572 3  853.0923588 -59516140473 073 3    72 072 3      C-13-H3C(O)CH3
  705480.8470  0.0098 -4.6334 3  853.0923588 -59516140473 173 3    72 072 3      C-13-H3C(O)CH3
  705480.9085  0.0097 -4.2737 3  853.0923588  59516140473 073 4    72 172 4      C-13-H3C(O)CH3
  705480.9085  0.0097 -4.2737 3  853.0923588  59516140473 173 4    72 072 4      C-13-H3C(O)CH3
  705480.9264  0.0098 -4.1572 3  853.0923588  59516140473 173 3    72 172 3      C-13-H3C(O)CH3
  705480.9264  0.0098 -4.6334 3  853.0923588  59516140473 073 3    72 172 3      C-13-H3C(O)CH3
  705484.0756  0.0171 -4.0456 3  853.0289B76 -59516140473 073 2    72 072 2      C-13-H3C(O)CH3
  705484.0756  0.0157 -3.8788 3  853.0291B76 -59516140473 173 1    72 072 1      C-13-H3C(O)CH3
  705484.0756  0.0171 -4.0186 3  853.0289B76 -59516140473 173 2    72 072 2      C-13-H3C(O)CH3
  705484.0756  0.0157 -4.2707 3  853.0291B76 -59516140473 073 1    72 072 1      C-13-H3C(O)CH3
  705484.0756  0.0157 -3.8788 3  853.0291B76 -59516140473 073 1    72 172 1      C-13-H3C(O)CH3
  705484.0756  0.0171 -4.0186 3  853.0289B76 -59516140473 073 2    72 172 2      C-13-H3C(O)CH3
  705484.0756  0.0171 -4.0456 3  853.0289B76 -59516140473 173 2    72 172 2      C-13-H3C(O)CH3
  705484.0756  0.0157 -4.2707 3  853.0291B76 -59516140473 173 1    72 172 1      C-13-H3C(O)CH3
  705487.0266  0.0115 -4.1198 3  852.9659B76  59516140473 173 0    72 172 0      C-13-H3C(O)CH3
  705487.0266  0.0115 -3.9587 3  852.9659B76  59516140473 073 0    72 172 0      C-13-H3C(O)CH3
  705487.0963  0.0115 -3.9587 3  852.9659B76 -59516140473 173 0    72 072 0      C-13-H3C(O)CH3
  705487.0963  0.0115 -4.1198 3  852.9659B76 -59516140473 073 0    72 072 0      C-13-H3C(O)CH3
  705497.6032  0.0119 -3.9600 3  770.8938936  595161404581741 0    571840 0      C-13-H3C(O)CH3
  705497.6032  0.0119 -3.9600 3  770.8938936  595161404581841 0    571740 0      C-13-H3C(O)CH3
  705497.6032  0.0119 -4.5055 3  770.8938936  595161404581741 0    571740 0      C-13-H3C(O)CH3
  705497.6032  0.0119 -4.5055 3  770.8938936  595161404581841 0    571840 0      C-13-H3C(O)CH3
  705516.6836  0.0053 -3.6433 3  410.4044308  5951614043829 9 4    3728 9 4      C-13-H3C(O)CH3
  705536.6522  0.0154 -5.4818 3  770.8811936  595161404581841 1    571840 1      C-13-H3C(O)CH3
  705536.6522  0.0154 -5.4818 3  770.8811936  595161404581741 1    571740 1      C-13-H3C(O)CH3
  705536.6522  0.0154 -3.8614 3  770.8811936  595161404581741 1    571840 1      C-13-H3C(O)CH3
  705536.6522  0.0154 -3.8614 3  770.8811936  595161404581841 1    571740 1      C-13-H3C(O)CH3
  705537.8082  0.4506 -6.0974 3 1027.2549492  595161404613923 4    604020 4      C-13-H3C(O)CH3
  705537.9509  0.0155 -3.8512 3  770.8809936  595161404581741 2    571840 2      C-13-H3C(O)CH3
  705537.9509  0.0155 -3.8512 3  770.8809936  595161404581841 2    571740 2      C-13-H3C(O)CH3
  705540.1788  0.1241 -6.1762 3 1259.4990692  59516140486 483 4    86 384 4      C-13-H3C(O)CH3
  705540.1788  0.1241 -6.1762 3 1259.4990692  59516140486 383 4    86 284 4      C-13-H3C(O)CH3
  705541.1215  0.1242 -6.1734 3 1259.4990692  59516140486 483 3    86 284 3      C-13-H3C(O)CH3
  705541.1215  0.1242 -6.1734 3 1259.4990692  59516140486 383 3    86 384 3      C-13-H3C(O)CH3
  705551.1700  0.0169 -4.7787 3  240.9859488  595161404302110 1    291811 1      C-13-H3C(O)CH3
  705554.1271  0.0181 -6.1067 3  166.3081196  5951614042422 2 3    2319 5 3      C-13-H3C(O)CH3
  705573.2299  0.0216 -5.0366 3  240.9681244  595161404302110 3    291811 3      C-13-H3C(O)CH3
  705577.0481  0.0170 -4.1524 3  770.8682468  595161404581741 3    571740 3      C-13-H3C(O)CH3
  705577.0481  0.0170 -4.1524 3  770.8682468  595161404581841 3    571840 3      C-13-H3C(O)CH3
  705577.1110  0.0170 -4.2043 3  770.8681468  595161404581741 4    571840 4      C-13-H3C(O)CH3
  705577.1110  0.0170 -5.0981 3  770.8681468  595161404581741 4    571740 4      C-13-H3C(O)CH3
  705577.1110  0.0170 -4.2043 3  770.8681468  595161404581841 4    571740 4      C-13-H3C(O)CH3
  705577.1110  0.0170 -5.0981 3  770.8681468  595161404581841 4    571840 4      C-13-H3C(O)CH3
  705598.9298  0.0245 -3.9749 3  544.2700728  595161404452719 1    442618 1      C-13-H3C(O)CH3
  705658.8645  0.0212 -3.9092 3  419.0271632 -595161404392712 1    382613 1      C-13-H3C(O)CH3
  705660.6030  0.1721 -5.9171 3 1311.9101E00  59516140487 483 0    87 484 0      C-13-H3C(O)CH3
  705660.6030  0.1721 -5.9171 3 1311.9101E00  59516140487 583 0    87 384 0      C-13-H3C(O)CH3
  705663.0561  0.0111 -3.8079 3  835.3589A64 -59516140466 958 0    65 957 0      C-13-H3C(O)CH3
  705663.0561  0.0111 -3.8079 3  835.3589A64 -59516140466 858 0    65 857 0      C-13-H3C(O)CH3
  705667.0813  0.0221 -4.1272 3  835.3280A64  59516140466 958 1    65 957 1      C-13-H3C(O)CH3
  705667.0813  0.0221 -4.0913 3  835.3280A64  59516140466 958 1    65 857 1      C-13-H3C(O)CH3
  705667.0813  0.0221 -4.0913 3  835.3280A64  59516140466 858 1    65 957 1      C-13-H3C(O)CH3
  705667.0813  0.0221 -4.1272 3  835.3280A64  59516140466 858 1    65 857 1      C-13-H3C(O)CH3
  705667.3963  0.0218 -3.8153 3  835.3278A64  59516140466 958 2    65 957 2      C-13-H3C(O)CH3
  705667.3963  0.0218 -5.5804 3  835.3278A64  59516140466 858 2    65 957 2      C-13-H3C(O)CH3
  705667.3963  0.0218 -5.5804 3  835.3278A64  59516140466 958 2    65 857 2      C-13-H3C(O)CH3
  705667.3963  0.0218 -3.8153 3  835.3278A64  59516140466 858 2    65 857 2      C-13-H3C(O)CH3
  705671.3263  0.0125 -4.3497 3  835.2968532  59516140466 958 4    65 957 4      C-13-H3C(O)CH3
  705671.3263  0.0125 -4.3497 3  835.2968532  59516140466 858 4    65 857 4      C-13-H3C(O)CH3
  705671.3263  0.0125 -4.4797 3  835.2968532  59516140466 858 4    65 957 4      C-13-H3C(O)CH3
  705671.3263  0.0125 -4.4797 3  835.2968532  59516140466 958 4    65 857 4      C-13-H3C(O)CH3
  705671.3539  0.0125 -5.4755 3  835.2969532  59516140466 858 3    65 957 3      C-13-H3C(O)CH3
  705671.3539  0.0125 -4.1279 3  835.2969532  59516140466 958 3    65 957 3      C-13-H3C(O)CH3
  705671.3539  0.0125 -5.4755 3  835.2969532  59516140466 958 3    65 857 3      C-13-H3C(O)CH3
  705671.3539  0.0125 -4.1279 3  835.2969532  59516140466 858 3    65 857 3      C-13-H3C(O)CH3
  705693.4201  0.0181 -6.1022 3  166.2570196  5951614042422 3 4    2319 5 4      C-13-H3C(O)CH3
  705719.8945  0.0170 -5.8081 3  166.3608392  5951614042422 2 1    2319 4 1      C-13-H3C(O)CH3
  705763.2686  0.0058 -4.4000 3  176.8236472  59516140429 921 0    28 622 0      C-13-H3C(O)CH3
  705763.2686  0.0058 -4.4000 3  176.8236472  59516140429 821 0    28 722 0      C-13-H3C(O)CH3
  705763.5522  0.0193 -6.2350 3  162.7336204  5951614042518 8 4    241311 4      C-13-H3C(O)CH3
  705776.4871  0.0398 -4.2547 3  419.0144316  595161404392712 3    382613 3      C-13-H3C(O)CH3
  705836.5998  0.1638 -4.7498 3  764.8229856  595161404533221 0    523320 0      C-13-H3C(O)CH3
  705870.3405  0.0080 -5.0719 3  219.7704236  595161404291910 3    281613 3      C-13-H3C(O)CH3
  705888.1535  0.0075 -5.0739 3  219.7704236  595161404291910 4    281613 4      C-13-H3C(O)CH3
  705926.0121  0.0428 -3.9745 3  544.2554728  595161404452719 2    442618 2      C-13-H3C(O)CH3
  705928.5795  0.0160 -5.8109 3  166.3718392  5951614042422 2 2    2319 4 2      C-13-H3C(O)CH3
  705936.8644  0.0076 -4.7716 3  219.7861472  595161404291910 1    281613 1      C-13-H3C(O)CH3
  705980.1029  0.0077 -4.7693 3  219.7807472  595161404291910 2    281613 2      C-13-H3C(O)CH3
  706009.6081  0.2291 -6.0418 3 1259.5082D84  59516140486 483 1    86 284 1      C-13-H3C(O)CH3
  706009.6081  0.2291 -6.0418 3 1259.5082D84  59516140486 383 1    86 384 1      C-13-H3C(O)CH3
  706013.5773  0.2329 -5.9935 3 1259.5077D84  59516140486 483 2    86 284 2      C-13-H3C(O)CH3
  706013.5773  0.2329 -5.9935 3 1259.5077D84  59516140486 383 2    86 384 2      C-13-H3C(O)CH3
  706035.7592  0.0081 -4.7690 3  219.7964472  595161404291910 0    281613 0      C-13-H3C(O)CH3
  706064.9079  0.0171 -5.8064 3  166.3207392  5951614042422 3 2    2319 5 2      C-13-H3C(O)CH3
  706114.9453  0.0396 -4.3760 3  419.0297632  595161404392712 2    382613 2      C-13-H3C(O)CH3
  706167.3121  0.2218 -5.7090 3 1027.2403492  595161404613923 3    604020 3      C-13-H3C(O)CH3
  706174.9005  0.0100 -5.0315 3  222.8457236  5951614042920 9 3    281712 3      C-13-H3C(O)CH3
  706185.1684  0.3297 -5.6328 3 1027.2057984  595161404613923 2    604020 2      C-13-H3C(O)CH3
  706197.3380  0.0404 -4.2753 3  544.2323364  595161404452719 4    442618 4      C-13-H3C(O)CH3
  706221.0219  0.0413 -4.2751 3  544.2319364  595161404452719 3    442618 3      C-13-H3C(O)CH3
  706228.6596  0.0169 -5.8055 3  166.3061392  5951614042422 3 1    2319 5 1      C-13-H3C(O)CH3
  706249.4901  0.0209 -5.8083 3  240.9681244  5951614043021 9 3    291811 3      C-13-H3C(O)CH3
  706306.4184  0.2426 -5.6118 3 1027.2023984  595161404613923 1    604020 1      C-13-H3C(O)CH3
  706322.8731  0.0154 -4.6949 3  240.9727488  595161404302110 2    291811 2      C-13-H3C(O)CH3
  706363.0859  0.0088 -4.7620 3  222.8614472  5951614042920 9 1    281712 1      C-13-H3C(O)CH3
  706401.2853  0.0120 -5.0966 3  222.8455236  5951614042920 9 4    281712 4      C-13-H3C(O)CH3
  706406.5806  0.0131 -4.6708 3  240.9909488  595161404302110 0    291811 0      C-13-H3C(O)CH3
  706409.7767  0.0104 -5.1232 3  146.9333228  59516140428 623 3    27 324 3      C-13-H3C(O)CH3
  706409.7767  0.0104 -5.1984 3  146.9333228  59516140428 623 3    27 424 3      C-13-H3C(O)CH3
  706409.7767  0.0104 -6.0111 3  146.9333228  59516140428 523 3    27 324 3      C-13-H3C(O)CH3
  706409.7767  0.0104 -5.6631 3  146.9333228  59516140428 523 3    27 424 3      C-13-H3C(O)CH3
  706409.8167  0.0122 -5.0729 3  146.9333228  59516140428 623 4    27 324 4      C-13-H3C(O)CH3
  706409.8167  0.0122 -5.0729 3  146.9333228  59516140428 523 4    27 424 4      C-13-H3C(O)CH3
  706412.4387  0.0153 -5.3155 3  240.9859488  5951614043021 9 1    291811 1      C-13-H3C(O)CH3
  706466.0111  0.0204 -5.5158 3  240.9676244  5951614043021 9 4    291811 4      C-13-H3C(O)CH3
  706481.6793  0.1387 -5.9531 3 1259.5169D84  59516140486 383 0    86 384 0      C-13-H3C(O)CH3
  706481.6793  0.1387 -5.9531 3 1259.5169D84  59516140486 483 0    86 284 0      C-13-H3C(O)CH3
  706487.8020  0.0118 -4.2310 3  782.8638952  595161404591643 0    581642 0      C-13-H3C(O)CH3
  706487.8020  0.0118 -4.0834 3  782.8638952  595161404591743 0    581642 0      C-13-H3C(O)CH3
  706487.8020  0.0118 -4.2310 3  782.8638952  595161404591743 0    581742 0      C-13-H3C(O)CH3
  706487.8020  0.0118 -4.0834 3  782.8638952  595161404591643 0    581742 0      C-13-H3C(O)CH3
  706524.4762  0.0081 -4.7232 3  222.8568472  5951614042920 9 2    281712 2      C-13-H3C(O)CH3
  706524.8809  0.0161 -4.6183 3  782.8497952  595161404591643 1    581742 1      C-13-H3C(O)CH3
  706524.8809  0.0161 -3.9311 3  782.8497952  595161404591643 1    581642 1      C-13-H3C(O)CH3
  706524.8809  0.0161 -3.9311 3  782.8497952  595161404591743 1    581742 1      C-13-H3C(O)CH3
  706524.8809  0.0161 -4.6183 3  782.8497952  595161404591743 1    581642 1      C-13-H3C(O)CH3
  706525.9019  0.0161 -3.8514 3  782.8494952  595161404591743 2    581642 2      C-13-H3C(O)CH3
  706525.9019  0.0161 -4.1361 3  782.8494952  595161404591643 2    581642 2      C-13-H3C(O)CH3
  706525.9019  0.0161 -4.1664 3  782.8494952  595161404591643 2    581742 2      C-13-H3C(O)CH3
  706563.0259  0.0170 -4.1510 3  782.8352476  595161404591643 3    581642 3      C-13-H3C(O)CH3
  706563.0259  0.0170 -4.1510 3  782.8352476  595161404591743 3    581742 3      C-13-H3C(O)CH3
  706563.0823  0.0170 -4.2892 3  782.8352476  595161404591743 4    581642 4      C-13-H3C(O)CH3
  706563.0823  0.0170 -4.7153 3  782.8352476  595161404591743 4    581742 4      C-13-H3C(O)CH3
  706563.0823  0.0170 -4.2892 3  782.8352476  595161404591643 4    581742 4      C-13-H3C(O)CH3
  706563.0823  0.0170 -4.7153 3  782.8352476  595161404591643 4    581642 4      C-13-H3C(O)CH3
  706581.9817  0.0080 -4.7109 3  222.8725472  5951614042920 9 0    281712 0      C-13-H3C(O)CH3
  706594.5399  0.1893 -6.1173 3 1207.7064D68  59516140485 283 1    85 184 1      C-13-H3C(O)CH3
  706594.5399  0.1893 -6.0498 3 1207.7064D68  59516140485 383 1    85 284 1      C-13-H3C(O)CH3
  706594.5624  0.2021 -5.9925 3 1207.7059D68  59516140485 383 2    85 184 2      C-13-H3C(O)CH3
  706594.5624  0.2021 -5.9925 3 1207.7059D68  59516140485 283 2    85 284 2      C-13-H3C(O)CH3
  706596.7944  0.0480 -4.9639 3  419.0033316  595161404392712 4    382613 4      C-13-H3C(O)CH3
  706606.3837  0.0178 -5.8107 3  166.3697392  5951614042422 3 0    2319 4 0      C-13-H3C(O)CH3
  706607.0130  0.0178 -5.8107 3  166.3696392  5951614042422 2 0    2319 5 0      C-13-H3C(O)CH3
  706638.6967  0.1811 -5.9080 3 1027.2181492  595161404613923 4    604021 4      C-13-H3C(O)CH3
  706642.6763  0.0143 -5.9064 3  162.7355408  5951614042518 8 1    241311 1      C-13-H3C(O)CH3
  706753.5735  0.0153 -6.0855 3  162.7331204  5951614042518 8 3    241311 3      C-13-H3C(O)CH3
  706781.7420  0.1713 -5.3908 3 1027.1559984  595161404613923 0    604020 0      C-13-H3C(O)CH3
  706807.2688  0.0115 -4.1076 3  842.3258540  59516140467 860 4    66 759 4      C-13-H3C(O)CH3
  706807.2688  0.0115 -4.1076 3  842.3258540  59516140467 760 4    66 859 4      C-13-H3C(O)CH3
  706807.3070  0.0115 -4.3422 3  842.3258540  59516140467 760 3    66 759 3      C-13-H3C(O)CH3
  706807.3070  0.0115 -4.3422 3  842.3258540  59516140467 860 3    66 859 3      C-13-H3C(O)CH3
  706807.3070  0.0115 -4.4816 3  842.3258540  59516140467 860 3    66 759 3      C-13-H3C(O)CH3
  706807.3070  0.0115 -4.4816 3  842.3258540  59516140467 760 3    66 859 3      C-13-H3C(O)CH3
  706809.5178  0.0211 -5.9263 3  842.3575A80  59516140467 760 1    66 859 1      C-13-H3C(O)CH3
  706809.5178  0.0211 -3.8076 3  842.3575A80  59516140467 760 1    66 759 1      C-13-H3C(O)CH3
  706809.5178  0.0211 -3.8405 3  842.3575A80  59516140467 860 1    66 759 1      C-13-H3C(O)CH3
  706809.5178  0.0211 -4.9024 3  842.3575A80  59516140467 860 1    66 859 1      C-13-H3C(O)CH3
  706809.8314  0.0208 -5.1973 3  842.3573A80  59516140467 860 2    66 759 2      C-13-H3C(O)CH3
  706809.8314  0.0208 -3.8223 3  842.3573A80  59516140467 860 2    66 859 2      C-13-H3C(O)CH3
  706809.8314  0.0208 -5.1973 3  842.3573A80  59516140467 760 2    66 859 2      C-13-H3C(O)CH3
  706809.8314  0.0208 -3.8223 3  842.3573A80  59516140467 760 2    66 759 2      C-13-H3C(O)CH3
  706810.6231  0.1635 -5.7599 3 1027.1848984  595161404613923 2    604021 2      C-13-H3C(O)CH3
  706812.0507  0.0108 -5.1797 3  842.3890A80  59516140467 760 0    66 759 0      C-13-H3C(O)CH3
  706812.0507  0.0108 -3.8231 3  842.3890A80  59516140467 760 0    66 859 0      C-13-H3C(O)CH3
  706812.0507  0.0108 -3.8231 3  842.3890A80  59516140467 860 0    66 759 0      C-13-H3C(O)CH3
  706812.0507  0.0108 -5.1797 3  842.3890A80  59516140467 860 0    66 859 0      C-13-H3C(O)CH3
  706848.4469  0.1738 -5.7894 3 1027.1843984  595161404613923 1    604021 1      C-13-H3C(O)CH3
  706859.6087  0.0145 -5.9331 3  240.9727488  5951614043021 9 2    291811 2      C-13-H3C(O)CH3
  706928.8105  0.0062 -5.8638 3  434.2869648  595161404402614 1    392514 1      C-13-H3C(O)CH3
  706943.4957  0.0111 -4.7691 3  146.8988456  59516140428 623 2    27 324 2      C-13-H3C(O)CH3
  706943.4957  0.0111 -4.7691 3  146.8988456  59516140428 523 2    27 424 2      C-13-H3C(O)CH3
  706948.9640  0.0116 -4.7703 3  146.8994456  59516140428 623 1    27 324 1      C-13-H3C(O)CH3
  706948.9640  0.0116 -4.7703 3  146.8994456  59516140428 523 1    27 424 1      C-13-H3C(O)CH3
  706961.3821  0.0185 -5.9953 3  116.4025220  59516140427 325 3    26 126 3      C-13-H3C(O)CH3
  706961.3821  0.0185 -5.9953 3  116.4025220  59516140427 225 3    26 026 3      C-13-H3C(O)CH3
  706962.2769  0.0204 -5.9919 3  116.4025220  59516140427 225 4    26 126 4      C-13-H3C(O)CH3
  706962.2769  0.0204 -5.9919 3  116.4025220  59516140427 325 4    26 026 4      C-13-H3C(O)CH3
  707076.8834  0.0075 -5.2236 3  434.2844648  595161404402614 2    392514 2      C-13-H3C(O)CH3
  707092.8280  0.0071 -6.0825 3  434.2658324  595161404402614 3    392514 3      C-13-H3C(O)CH3
  707172.9715  0.0098 -5.2061 3  434.2672324  595161404402614 4    392514 4      C-13-H3C(O)CH3
  707198.3569  0.4693 -6.1423 3 1156.4790D52  59516140484 283 2    84 184 2      C-13-H3C(O)CH3
  707198.3569  0.4693 -6.1423 3 1156.4790D52  59516140484 183 2    84 084 2      C-13-H3C(O)CH3
  707208.2590  0.4491 -6.1307 3 1156.4791D52  59516140484 183 1    84 184 1      C-13-H3C(O)CH3
  707208.2590  0.4491 -6.1307 3 1156.4791D52  59516140484 283 1    84 084 1      C-13-H3C(O)CH3
  707285.7509  0.0140 -5.8873 3  162.7271408  5951614042518 8 2    241311 2      C-13-H3C(O)CH3
  707411.4033  0.1419 -5.9417 3 1207.6871D68  59516140485 283 0    85 184 0      C-13-H3C(O)CH3
  707411.4033  0.1419 -5.9417 3 1207.6871D68  59516140485 383 0    85 284 0      C-13-H3C(O)CH3
  707481.5147  0.0105 -4.7719 3  146.8650456  59516140428 623 0    27 324 0      C-13-H3C(O)CH3
  707481.5147  0.0105 -4.7719 3  146.8650456  59516140428 523 0    27 424 0      C-13-H3C(O)CH3
  707509.9984  0.0116 -4.5589 3  794.2791968  595161404601545 0    591644 0      C-13-H3C(O)CH3
  707509.9984  0.0116 -3.9432 3  794.2791968  595161404601545 0    591544 0      C-13-H3C(O)CH3
  707509.9984  0.0116 -3.9432 3  794.2791968  595161404601645 0    591644 0      C-13-H3C(O)CH3
  707509.9984  0.0116 -4.5589 3  794.2791968  595161404601645 0    591544 0      C-13-H3C(O)CH3
  707510.7794  0.0105 -3.9691 3  300.8081552  595161404341915 2    331816 2      C-13-H3C(O)CH3
  707544.8110  0.0168 -3.8506 3  794.2632968  595161404601545 1    591544 1      C-13-H3C(O)CH3
  707544.8110  0.0168 -3.8506 3  794.2632968  595161404601645 1    591644 1      C-13-H3C(O)CH3
  707545.6103  0.0168 -4.8581 3  794.2629968  595161404601645 2    591644 2      C-13-H3C(O)CH3
  707545.6103  0.0168 -3.8937 3  794.2629968  595161404601545 2    591644 2      C-13-H3C(O)CH3
  707545.6103  0.0168 -4.8581 3  794.2629968  595161404601545 2    591544 2      C-13-H3C(O)CH3
  707545.6103  0.0168 -3.8937 3  794.2629968  595161404601645 2    591544 2      C-13-H3C(O)CH3
  707576.6106  0.0133 -4.2699 3  300.7875276  595161404341915 3    331816 3      C-13-H3C(O)CH3
  707580.4648  0.0170 -4.3394 3  794.2470484  595161404601545 3    591544 3      C-13-H3C(O)CH3
  707580.4648  0.0170 -4.6015 3  794.2470484  595161404601645 3    591544 3      C-13-H3C(O)CH3
  707580.4648  0.0170 -4.3394 3  794.2470484  595161404601645 3    591644 3      C-13-H3C(O)CH3
  707580.4648  0.0170 -4.6015 3  794.2470484  595161404601545 3    591644 3      C-13-H3C(O)CH3
  707580.5141  0.0170 -4.1507 3  794.2470484  595161404601645 4    591544 4      C-13-H3C(O)CH3
  707580.5141  0.0170 -4.1507 3  794.2470484  595161404601545 4    591644 4      C-13-H3C(O)CH3
  707583.4039  0.0120 -4.2699 3  300.7875276  595161404341915 4    331816 4      C-13-H3C(O)CH3
  707633.3277  0.0084 -3.9692 3  300.8339552  595161404341915 0    331816 0      C-13-H3C(O)CH3
  707699.6109  0.0103 -3.9690 3  300.8133552  595161404341915 1    331816 1      C-13-H3C(O)CH3
  707730.1842  0.0255 -5.6898 3  116.3323440  59516140427 325 2    26 026 2      C-13-H3C(O)CH3
  707730.1842  0.0255 -5.6898 3  116.3323440  59516140427 225 2    26 126 2      C-13-H3C(O)CH3
  707731.0423  0.0262 -5.7740 3  116.3328440  59516140427 325 1    26 126 1      C-13-H3C(O)CH3
  707731.0423  0.0262 -5.7740 3  116.3328440  59516140427 225 1    26 026 1      C-13-H3C(O)CH3
  707881.6483  0.2132 -6.0227 3 1272.8094A80  595161404674720 2    664818 2      C-13-H3C(O)CH3
  707900.7739  0.2476 -6.0226 3 1272.7589A80  595161404674721 0    664818 0      C-13-H3C(O)CH3
  707901.4193  0.2476 -6.0226 3 1272.7589A80  595161404674720 0    664819 0      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.2773 3  848.8191548 -59516140468 762 3    67 761 3      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.1071 3  848.8191548 -59516140468 662 4    67 761 4      C-13-H3C(O)CH3
  707951.8215  0.0103 -5.9719 3  848.8191548 -59516140468 662 4    67 661 4      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.2773 3  848.8191548 -59516140468 662 3    67 661 3      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.5784 3  848.8191548 -59516140468 662 3    67 761 3      C-13-H3C(O)CH3
  707951.8215  0.0103 -5.9719 3  848.8191548 -59516140468 762 4    67 761 4      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.5784 3  848.8191548 -59516140468 762 3    67 661 3      C-13-H3C(O)CH3
  707951.8215  0.0103 -4.1071 3  848.8191548 -59516140468 762 4    67 661 4      C-13-H3C(O)CH3
  707961.2499  0.0185 -3.9653 3  848.8499A96 -59516140468 762 2    67 661 2      C-13-H3C(O)CH3
  707961.2499  0.0188 -4.0631 3  848.8501A96 -59516140468 662 1    67 761 1      C-13-H3C(O)CH3
  707961.2499  0.0188 -4.1431 3  848.8501A96 -59516140468 662 1    67 661 1      C-13-H3C(O)CH3
  707961.2499  0.0185 -4.3004 3  848.8499A96 -59516140468 762 2    67 761 2      C-13-H3C(O)CH3
  707961.2499  0.0185 -3.9653 3  848.8499A96 -59516140468 662 2    67 761 2      C-13-H3C(O)CH3
  707961.2499  0.0188 -4.0631 3  848.8501A96 -59516140468 762 1    67 661 1      C-13-H3C(O)CH3
  707961.2499  0.0188 -4.1431 3  848.8501A96 -59516140468 762 1    67 761 1      C-13-H3C(O)CH3
  707961.2499  0.0185 -4.3004 3  848.8499A96 -59516140468 662 2    67 661 2      C-13-H3C(O)CH3
  707970.7478  0.0099 -4.6889 3  848.8809A96 -59516140468 762 0    67 661 0      C-13-H3C(O)CH3
  707970.7478  0.0099 -3.8604 3  848.8809A96 -59516140468 762 0    67 761 0      C-13-H3C(O)CH3
  707970.7478  0.0099 -4.6889 3  848.8809A96 -59516140468 662 0    67 761 0      C-13-H3C(O)CH3
  707970.7478  0.0099 -3.8604 3  848.8809A96 -59516140468 662 0    67 661 0      C-13-H3C(O)CH3
  708013.5057  0.0112 -5.7081 3  162.7294408  5951614042518 8 0    241311 0      C-13-H3C(O)CH3
  708039.8817  0.2444 -6.0224 3 1272.8069A80  595161404674720 1    664818 1      C-13-H3C(O)CH3
  708071.2645  0.0179 -5.8321 3  198.9891440  5951614042721 7 1    2618 8 1      C-13-H3C(O)CH3
  708100.4798  0.0137 -6.1283 3  162.7355408  5951614042518 7 1    241311 1      C-13-H3C(O)CH3
  708168.1339  0.2030 -6.0226 3 1272.7713A80  595161404674721 2    664819 2      C-13-H3C(O)CH3
  708259.2715  0.2185 -6.0224 3 1272.7669A80  595161404674721 1    664819 1      C-13-H3C(O)CH3
  708349.2682  0.0059 -4.3952 3  229.5138252  595161404311318 4    301219 4      C-13-H3C(O)CH3
  708349.5580  0.0051 -4.3952 3  229.5138252  595161404311318 3    301219 3      C-13-H3C(O)CH3
  708349.8392  0.0059 -4.3952 3  229.5138252  595161404311418 4    301119 4      C-13-H3C(O)CH3
  708350.1320  0.0051 -4.3952 3  229.5138252  595161404311418 3    301119 3      C-13-H3C(O)CH3
  708359.1695  0.0139 -6.1784 3  162.7271408  5951614042518 7 2    241311 2      C-13-H3C(O)CH3
  708363.1791  0.0215 -5.8014 3  198.9685220  5951614042721 7 3    2618 8 3      C-13-H3C(O)CH3
  708458.3296  0.0711 -4.4754 3  646.1082396  595161404492821 3    482920 3      C-13-H3C(O)CH3
  708485.1182  0.0709 -4.4755 3  646.1075396  595161404492821 4    482920 4      C-13-H3C(O)CH3
  708485.4636  0.0083 -6.2075 3  124.9641376  595161404231211 2    22 914 2      C-13-H3C(O)CH3
  708492.2635  0.0049 -4.0940 3  229.5262504  595161404311318 2    301219 2      C-13-H3C(O)CH3
  708492.8430  0.0049 -4.0940 3  229.5262504  595161404311418 2    301119 2      C-13-H3C(O)CH3
  708497.9701  0.0247 -5.9636 3  116.2628440  59516140427 225 0    26 026 0      C-13-H3C(O)CH3
  708497.9701  0.0247 -6.0140 3  116.2628440  59516140427 225 0    26 126 0      C-13-H3C(O)CH3
  708497.9701  0.0247 -5.9636 3  116.2628440  59516140427 325 0    26 126 0      C-13-H3C(O)CH3
  708497.9701  0.0247 -6.0140 3  116.2628440  59516140427 325 0    26 026 0      C-13-H3C(O)CH3
  708514.7370  0.0049 -4.0941 3  229.5283504  595161404311318 1    301219 1      C-13-H3C(O)CH3
  708515.2885  0.0049 -4.0941 3  229.5283504  595161404311418 1    301119 1      C-13-H3C(O)CH3
  708550.9202  0.0050 -3.1542 3  405.8588584 -5951614043634 2 0    3533 3 0      C-13-H3C(O)CH3
  708550.9202  0.0050 -3.1542 3  405.8588584 -5951614043634 3 0    3533 2 0      C-13-H3C(O)CH3
  708557.9047  0.0114 -3.9023 3  805.1433984  595161404611547 0    601546 0      C-13-H3C(O)CH3
  708557.9047  0.0114 -4.7781 3  805.1433984  595161404611547 0    601446 0      C-13-H3C(O)CH3
  708557.9047  0.0114 -3.9023 3  805.1433984  595161404611447 0    601446 0      C-13-H3C(O)CH3
  708557.9047  0.0114 -4.7781 3  805.1433984  595161404611447 0    601546 0      C-13-H3C(O)CH3
  708560.5246  0.0155 -5.5334 3  198.9685220  5951614042721 6 3    2618 8 3      C-13-H3C(O)CH3
  708578.2428  0.0051 -3.1542 3  405.7994584 -5951614043634 3 2    3533 3 2      C-13-H3C(O)CH3
  708590.0865  0.0178 -4.0342 3  805.1254984  595161404611447 1    601546 1      C-13-H3C(O)CH3
  708590.0865  0.0178 -4.3057 3  805.1254984  595161404611547 1    601546 1      C-13-H3C(O)CH3
  708590.0865  0.0178 -4.0342 3  805.1254984  595161404611547 1    601446 1      C-13-H3C(O)CH3
  708590.0865  0.0178 -4.3057 3  805.1254984  595161404611447 1    601446 1      C-13-H3C(O)CH3
  708590.7102  0.0177 -3.8481 3  805.1252984  595161404611447 2    601546 2      C-13-H3C(O)CH3
  708590.7102  0.0177 -3.8481 3  805.1252984  595161404611547 2    601446 2      C-13-H3C(O)CH3
  708591.6434  0.0186 -5.6523 3  198.9879440  5951614042721 7 2    2618 8 2      C-13-H3C(O)CH3
  708620.6964  0.0081 -6.2072 3  124.9658376  595161404231211 1    22 914 1      C-13-H3C(O)CH3
  708622.9306  0.0168 -4.1973 3  805.1073492  595161404611447 3    601446 3      C-13-H3C(O)CH3
  708622.9306  0.0168 -4.1490 3  805.1073492  595161404611547 3    601546 3      C-13-H3C(O)CH3
  708622.9306  0.0168 -5.1270 3  805.1073492  595161404611547 3    601446 3      C-13-H3C(O)CH3
  708622.9719  0.0168 -4.1862 3  805.1073492  595161404611447 4    601446 4      C-13-H3C(O)CH3
  708622.9719  0.0168 -4.1510 3  805.1073492  595161404611547 4    601446 4      C-13-H3C(O)CH3
  708622.9719  0.0168 -5.2349 3  805.1073492  595161404611447 4    601546 4      C-13-H3C(O)CH3
  708657.0124  0.0054 -3.1540 3  405.7921584 -5951614043634 3 1    3533 3 1      C-13-H3C(O)CH3
  708657.2012  0.0048 -4.0938 3  229.5407504  595161404311318 0    301219 0      C-13-H3C(O)CH3
  708657.7585  0.0048 -4.0938 3  229.5407504  595161404311418 0    301119 0      C-13-H3C(O)CH3
  708684.7106  0.0078 -3.4550 3  405.7328292  5951614043634 3 4    3533 3 4      C-13-H3C(O)CH3
  708734.7709  0.0054 -3.1540 3  405.8267584 -5951614043634 2 2    3533 2 2      C-13-H3C(O)CH3
  708750.8675  0.0774 -4.1726 3  646.1158792  595161404492821 2    482920 2      C-13-H3C(O)CH3
  708803.8175  0.0054 -3.1539 3  405.8432584 -5951614043634 2 1    3533 2 1      C-13-H3C(O)CH3
  708830.8058  0.0074 -3.4548 3  405.7839292  5951614043634 2 3    3533 2 3      C-13-H3C(O)CH3
  708833.4536  0.0082 -6.2058 3  124.9508376  595161404231211 0    22 914 0      C-13-H3C(O)CH3
  708840.4315  0.0076 -3.4548 3  405.7602292  5951614043634 3 3    3533 3 3      C-13-H3C(O)CH3
  708852.9521  0.3296 -5.9240 3  991.5001484  595161404603822 4    593920 4      C-13-H3C(O)CH3
  708882.2704  0.0443 -4.1717 3  646.1184792  595161404492821 1    482920 1      C-13-H3C(O)CH3
  708931.0979  0.0156 -5.3874 3  198.9855220  5951614042721 6 4    2618 8 4      C-13-H3C(O)CH3
  708986.8849  0.0077 -3.4547 3  405.8111292  5951614043634 2 4    3533 2 4      C-13-H3C(O)CH3
  709107.8967  0.0088 -4.0981 3  854.7783556  59516140469 564 4    68 563 4      C-13-H3C(O)CH3
  709107.8967  0.0088 -4.0981 3  854.7783556  59516140469 664 4    68 663 4      C-13-H3C(O)CH3
  709107.9444  0.0088 -4.3183 3  854.7783556  59516140469 564 3    68 563 3      C-13-H3C(O)CH3
  709107.9444  0.0088 -4.4948 3  854.7783556  59516140469 564 3    68 663 3      C-13-H3C(O)CH3
  709107.9444  0.0088 -4.3183 3  854.7783556  59516140469 664 3    68 663 3      C-13-H3C(O)CH3
  709107.9444  0.0088 -4.4948 3  854.7783556  59516140469 664 3    68 563 3      C-13-H3C(O)CH3
  709123.4124  0.0152 -5.0733 3  854.8066B12  59516140469 664 1    68 663 1      C-13-H3C(O)CH3
  709123.4124  0.0152 -3.8192 3  854.8066B12  59516140469 564 1    68 663 1      C-13-H3C(O)CH3
  709123.4124  0.0152 -5.0733 3  854.8066B12  59516140469 564 1    68 563 1      C-13-H3C(O)CH3
  709123.4124  0.0152 -3.8192 3  854.8066B12  59516140469 664 1    68 563 1      C-13-H3C(O)CH3
  709123.6688  0.0149 -3.8176 3  854.8064B12  59516140469 564 2    68 563 2      C-13-H3C(O)CH3
  709123.6688  0.0149 -5.1016 3  854.8064B12  59516140469 564 2    68 663 2      C-13-H3C(O)CH3
  709123.6688  0.0149 -3.8176 3  854.8064B12  59516140469 664 2    68 663 2      C-13-H3C(O)CH3
  709123.6688  0.0149 -5.1016 3  854.8064B12  59516140469 664 2    68 563 2      C-13-H3C(O)CH3
  709138.8668  0.0085 -4.0242 3  854.8347B12 -59516140469 664 0    68 563 0      C-13-H3C(O)CH3
  709138.8668  0.0085 -3.8050 3  854.8347B12 -59516140469 564 0    68 563 0      C-13-H3C(O)CH3
  709139.1324  0.0085 -4.1838 3  854.8347B12  59516140469 664 0    68 663 0      C-13-H3C(O)CH3
  709139.1324  0.0085 -5.4693 3  854.8347B12  59516140469 564 0    68 663 0      C-13-H3C(O)CH3
  709146.8404  0.0111 -5.1247 3  198.9891440  5951614042721 6 1    2618 8 1      C-13-H3C(O)CH3
  709157.9399  0.0524 -4.1699 3  646.1264792  595161404492821 0    482920 0      C-13-H3C(O)CH3
  709454.4519  0.0136 -5.3809 3  198.9028220  5951614042721 7 4    2618 9 4      C-13-H3C(O)CH3
  709470.2952  0.0120 -5.1735 3  198.9879440  5951614042721 6 2    2618 8 2      C-13-H3C(O)CH3
  709486.6233  0.0108 -5.0490 3  198.9980440  5951614042721 7 0    2618 8 0      C-13-H3C(O)CH3
  709536.7449  0.3138 -5.8188 3  991.4514968  595161404603822 2    593920 2      C-13-H3C(O)CH3
  709627.0344  0.0113 -4.1102 3  815.4596A00  595161404621449 0    611448 0      C-13-H3C(O)CH3
  709627.0344  0.0113 -4.1102 3  815.4596A00  595161404621349 0    611348 0      C-13-H3C(O)CH3
  709627.0344  0.0113 -4.1897 3  815.4596A00  595161404621349 0    611448 0      C-13-H3C(O)CH3
  709627.0344  0.0113 -4.1897 3  815.4596A00  595161404621449 0    611348 0      C-13-H3C(O)CH3
  709651.3659  0.2122 -6.0810 3 1184.8583524  595161404654421 4    644519 4      C-13-H3C(O)CH3
  709653.4693  0.2225 -5.8647 3  991.4475968  595161404603822 1    593920 1      C-13-H3C(O)CH3
  709656.1484  0.0189 -4.2529 3  815.4396A00  595161404621449 1    611448 1      C-13-H3C(O)CH3
  709656.1484  0.0189 -4.0637 3  815.4396A00  595161404621349 1    611448 1      C-13-H3C(O)CH3
  709656.1484  0.0189 -4.0221 3  815.4396A00  595161404621349 1    611348 1      C-13-H3C(O)CH3
  709656.1484  0.0189 -4.3261 3  815.4396A00  595161404621449 1    611348 1      C-13-H3C(O)CH3
  709656.6374  0.0187 -4.1747 3  815.4394A00  595161404621349 2    611348 2      C-13-H3C(O)CH3
  709656.6374  0.0187 -4.1747 3  815.4394A00  595161404621449 2    611448 2      C-13-H3C(O)CH3
  709656.6374  0.0187 -4.1230 3  815.4394A00  595161404621349 2    611448 2      C-13-H3C(O)CH3
  709656.6374  0.0187 -4.1230 3  815.4394A00  595161404621449 2    611348 2      C-13-H3C(O)CH3
  709665.5765  0.3738 -5.9868 3  956.4288476  595161404593722 4    583820 4      C-13-H3C(O)CH3
  709685.7864  0.0165 -5.7083 3  815.4193500  595161404621349 3    611448 3      C-13-H3C(O)CH3
  709685.7864  0.0165 -4.1601 3  815.4193500  595161404621449 3    611448 3      C-13-H3C(O)CH3
  709685.7864  0.0165 -5.7083 3  815.4193500  595161404621449 3    611348 3      C-13-H3C(O)CH3
  709685.7864  0.0165 -4.1601 3  815.4193500  595161404621349 3    611348 3      C-13-H3C(O)CH3
  709685.8188  0.0165 -4.1539 3  815.4193500  595161404621349 4    611348 4      C-13-H3C(O)CH3
  709685.8188  0.0165 -4.1539 3  815.4193500  595161404621449 4    611448 4      C-13-H3C(O)CH3
  709685.8188  0.0165 -6.0191 3  815.4193500  595161404621449 4    611348 4      C-13-H3C(O)CH3
  709685.8188  0.0165 -6.0191 3  815.4193500  595161404621349 4    611448 4      C-13-H3C(O)CH3
  709727.6950  0.2476 -5.6112 3  991.4660484  595161404603822 3    593921 3      C-13-H3C(O)CH3
  709734.9334  0.2307 -5.7823 3 1184.8066A48  595161404654421 2    644519 2      C-13-H3C(O)CH3
  709816.2496  0.0154 -5.5337 3  198.9200220  5951614042721 7 3    2618 9 3      C-13-H3C(O)CH3
  709858.1623  0.2538 -5.7811 3 1184.8058A48  595161404654421 1    644519 1      C-13-H3C(O)CH3
  709924.4962  0.2625 -5.7797 3 1184.7542A48  595161404654422 0    644519 0      C-13-H3C(O)CH3
  709927.6504  0.0106 -5.1217 3  198.9272440  5951614042721 7 1    2618 9 1      C-13-H3C(O)CH3
  709957.7837  0.2628 -5.7796 3 1184.7542A48  595161404654421 0    644520 0      C-13-H3C(O)CH3
  710013.5951  0.0205 -5.7993 3  198.9200220  5951614042721 6 3    2618 9 3      C-13-H3C(O)CH3
  710033.0104  0.1827 -6.1087 3 1184.8387524  595161404654421 3    644519 3      C-13-H3C(O)CH3
  710038.1628  0.0085 -5.9646 3  156.7658204  595161404251610 4    241113 4      C-13-H3C(O)CH3
  710043.1960  0.2037 -6.1086 3 1184.8362524  595161404654422 3    644520 3      C-13-H3C(O)CH3
  710093.8909  0.0073 -5.9639 3  156.7658204  595161404251610 3    241113 3      C-13-H3C(O)CH3
  710111.7229  0.2187 -5.7822 3 1184.7871A48  595161404654422 2    644520 2      C-13-H3C(O)CH3
  710154.2795  0.0122 -5.1696 3  198.9358440  5951614042721 7 2    2618 9 2      C-13-H3C(O)CH3
  710247.3919  0.2809 -5.9029 3 1027.2549492  595161404613922 4    604020 4      C-13-H3C(O)CH3
  710253.8892  0.2555 -5.7809 3 1184.7837A48  595161404654422 1    644520 1      C-13-H3C(O)CH3
  710272.8403  0.0071 -4.3900 3  860.2049564  59516140470 566 4    69 465 4      C-13-H3C(O)CH3
  710272.8403  0.0071 -4.3947 3  860.2049564  59516140470 566 4    69 565 4      C-13-H3C(O)CH3
  710272.8403  0.0071 -4.3947 3  860.2049564  59516140470 466 4    69 465 4      C-13-H3C(O)CH3
  710272.8403  0.0071 -4.3900 3  860.2049564  59516140470 466 4    69 565 4      C-13-H3C(O)CH3
  710272.8816  0.0071 -4.1385 3  860.2049564  59516140470 466 3    69 565 3      C-13-H3C(O)CH3
  710272.8816  0.0071 -5.0788 3  860.2049564  59516140470 466 3    69 465 3      C-13-H3C(O)CH3
  710272.8816  0.0071 -4.1385 3  860.2049564  59516140470 566 3    69 465 3      C-13-H3C(O)CH3
  710272.8816  0.0071 -5.0788 3  860.2049564  59516140470 566 3    69 565 3      C-13-H3C(O)CH3
  710290.5987  0.0042 -3.2224 3  409.9644600 -5951614043732 6 0    3631 5 0      C-13-H3C(O)CH3
  710290.5987  0.0042 -3.2224 3  409.9644600 -5951614043732 5 0    3631 6 0      C-13-H3C(O)CH3
  710293.4089  0.0108 -4.2364 3  860.2273B28 -59516140470 466 2    69 565 2      C-13-H3C(O)CH3
  710293.4089  0.0108 -4.6297 3  860.2276B28 -59516140470 466 1    69 465 1      C-13-H3C(O)CH3
  710293.4089  0.0108 -3.9829 3  860.2273B28 -59516140470 566 2    69 565 2      C-13-H3C(O)CH3
  710293.4089  0.0108 -4.6297 3  860.2276B28 -59516140470 566 1    69 565 1      C-13-H3C(O)CH3
  710294.0249  0.0108 -3.8583 3  860.2276B28  59516140470 566 1    69 465 1      C-13-H3C(O)CH3
  710294.0249  0.0108 -3.8583 3  860.2276B28  59516140470 466 1    69 565 1      C-13-H3C(O)CH3
  710294.1984  0.0108 -4.2364 3  860.2273B28  59516140470 566 2    69 465 2      C-13-H3C(O)CH3
  710294.1984  0.0108 -3.9829 3  860.2273B28  59516140470 466 2    69 465 2      C-13-H3C(O)CH3
  710306.8562  0.0078 -5.6622 3  156.7661408  595161404251610 1    241113 1      C-13-H3C(O)CH3
  710314.0638  0.0045 -3.2224 3  409.9282600 -5951614043732 6 2    3631 6 2      C-13-H3C(O)CH3
  710315.1750  0.0069 -4.5058 3  860.2500B28 -59516140470 466 0    69 465 0      C-13-H3C(O)CH3
  710315.1750  0.0069 -3.8833 3  860.2500B28 -59516140470 566 0    69 465 0      C-13-H3C(O)CH3
  710315.3273  0.0069 -3.8833 3  860.2500B28  59516140470 466 0    69 565 0      C-13-H3C(O)CH3
  710315.3273  0.0069 -4.5058 3  860.2500B28  59516140470 566 0    69 565 0      C-13-H3C(O)CH3
  710343.2563  0.0045 -3.2223 3  409.9105600 -5951614043732 6 1    3631 6 1      C-13-H3C(O)CH3
  710354.4818  0.0101 -3.9116 3  694.2730840  595161404522428 0    512527 0      C-13-H3C(O)CH3
  710354.8209  0.0101 -3.9116 3  694.2730840  595161404522528 0    512427 0      C-13-H3C(O)CH3
  710356.5047  0.0077 -5.6626 3  156.7628408  595161404251610 2    241113 2      C-13-H3C(O)CH3
  710367.6053  0.0061 -3.5234 3  409.8742300  5951614043732 6 4    3631 6 4      C-13-H3C(O)CH3
  710404.3932  0.0116 -3.9116 3  694.2650840  595161404522428 1    512527 1      C-13-H3C(O)CH3
  710404.7697  0.0116 -3.9116 3  694.2649840  595161404522528 1    512427 1      C-13-H3C(O)CH3
  710412.0192  0.0126 -3.9116 3  694.2641840  595161404522428 2    512527 2      C-13-H3C(O)CH3
  710412.3970  0.0126 -3.9116 3  694.2641840  595161404522528 2    512427 2      C-13-H3C(O)CH3
  710419.5376  0.2111 -5.8894 3  991.4479484  595161404603822 4    593921 4      C-13-H3C(O)CH3
  710420.3271  0.0046 -3.2223 3  409.9419600 -5951614043732 5 2    3631 5 2      C-13-H3C(O)CH3
  710426.2085  0.1988 -6.0807 3 1184.8167524  595161404654422 4    644520 4      C-13-H3C(O)CH3
  710461.9942  0.0142 -4.2127 3  694.2560420  595161404522428 3    512527 3      C-13-H3C(O)CH3
  710462.0914  0.0142 -4.2127 3  694.2560420  595161404522428 4    512527 4      C-13-H3C(O)CH3
  710462.4137  0.0142 -4.2127 3  694.2560420  595161404522528 3    512427 3      C-13-H3C(O)CH3
  710462.5082  0.0142 -4.2127 3  694.2560420  595161404522528 4    512427 4      C-13-H3C(O)CH3
  710468.6542  0.1931 -5.4627 3  991.4203968  595161404603822 2    593921 2      C-13-H3C(O)CH3
  710473.4659  0.0063 -3.5233 3  409.8881300  5951614043732 6 3    3631 6 3      C-13-H3C(O)CH3
  710480.3110  0.0108 -3.8991 3  710.4030856 -595161404532430 0    522329 0      C-13-H3C(O)CH3
  710480.3110  0.0108 -3.8991 3  710.4030856 -595161404532330 0    522429 0      C-13-H3C(O)CH3
  710490.1067  0.0046 -3.2221 3  409.9409600 -5951614043732 5 1    3631 5 1      C-13-H3C(O)CH3
  710493.3106  0.1978 -5.4438 3  991.4195968  595161404603822 1    593921 1      C-13-H3C(O)CH3
  710514.0524  0.0062 -3.5232 3  409.9047300  5951614043732 5 3    3631 5 3      C-13-H3C(O)CH3
  710528.3932  0.0125 -3.8991 3  710.3954856  595161404532330 1    522429 1      C-13-H3C(O)CH3
  710528.4000  0.0125 -3.8991 3  710.3954856  595161404532430 1    522329 1      C-13-H3C(O)CH3
  710533.8356  0.0133 -3.8991 3  710.3948856  595161404532330 2    522429 2      C-13-H3C(O)CH3
  710533.8422  0.0133 -3.8991 3  710.3948856  595161404532430 2    522329 2      C-13-H3C(O)CH3
  710573.3067  0.3420 -5.9676 3  956.3829952  595161404593722 2    583820 2      C-13-H3C(O)CH3
  710582.1335  0.0151 -4.2002 3  710.3872428  595161404532330 3    522429 3      C-13-H3C(O)CH3
  710582.1413  0.0151 -4.2002 3  710.3872428  595161404532430 3    522329 3      C-13-H3C(O)CH3
  710582.2262  0.0151 -4.2002 3  710.3872428  595161404532330 4    522429 4      C-13-H3C(O)CH3
  710582.2339  0.0151 -4.2002 3  710.3872428  595161404532430 4    522329 4      C-13-H3C(O)CH3
  710594.6230  0.0082 -5.6613 3  156.7631408  595161404251610 0    241113 0      C-13-H3C(O)CH3
  710619.4699  0.0067 -3.5230 3  409.9184300  5951614043732 5 4    3631 5 4      C-13-H3C(O)CH3
  710685.2254  0.2836 -5.7542 3 1027.2057984  595161404613922 2    604020 2      C-13-H3C(O)CH3
  710690.4344  0.2235 -6.0400 3  956.3788952  595161404593722 1    583820 1      C-13-H3C(O)CH3
  710712.0694  0.0087 -4.0115 3  304.4903552  595161404342114 1    331815 1      C-13-H3C(O)CH3
  710714.1587  0.0113 -4.7806 3  825.2306A16  595161404631351 0    621250 0      C-13-H3C(O)CH3
  710714.1587  0.0113 -3.8996 3  825.2306A16  595161404631251 0    621250 0      C-13-H3C(O)CH3
  710714.1587  0.0113 -4.7806 3  825.2306A16  595161404631251 0    621350 0      C-13-H3C(O)CH3
  710714.1587  0.0113 -3.8996 3  825.2306A16  595161404631351 0    621350 0      C-13-H3C(O)CH3
  710718.5755  0.2218 -5.7019 3 1027.2325492  595161404613922 3    604021 3      C-13-H3C(O)CH3
  710733.6221  0.0093 -3.9309 3  677.4555824  595161404512526 0    502625 0      C-13-H3C(O)CH3
  710739.6953  0.0203 -3.9207 3  825.2083A16  595161404631351 1    621350 1      C-13-H3C(O)CH3
  710739.6953  0.0203 -4.6465 3  825.2083A16  595161404631351 1    621250 1      C-13-H3C(O)CH3
  710739.6953  0.0203 -4.6465 3  825.2083A16  595161404631251 1    621350 1      C-13-H3C(O)CH3
  710739.6953  0.0203 -3.9207 3  825.2083A16  595161404631251 1    621250 1      C-13-H3C(O)CH3
  710740.0864  0.0200 -3.8462 3  825.2081A16  595161404631251 2    621250 2      C-13-H3C(O)CH3
  710740.0864  0.0200 -3.8462 3  825.2081A16  595161404631351 2    621350 2      C-13-H3C(O)CH3
  710748.5689  0.0093 -3.9308 3  677.4551824  595161404512626 0    502525 0      C-13-H3C(O)CH3
  710758.7610  0.1936 -5.3041 3  991.3875968  595161404603822 0    593921 0      C-13-H3C(O)CH3
  710765.6541  0.0161 -5.5764 3  825.1857508  595161404631251 3    621350 3      C-13-H3C(O)CH3
  710765.6541  0.0161 -5.5764 3  825.1857508  595161404631351 3    621250 3      C-13-H3C(O)CH3
  710765.6541  0.0161 -4.1633 3  825.1857508  595161404631251 3    621250 3      C-13-H3C(O)CH3
  710765.6541  0.0161 -4.1633 3  825.1857508  595161404631351 3    621350 3      C-13-H3C(O)CH3
  710765.6766  0.0161 -4.2653 3  825.1857508  595161404631251 4    621250 4      C-13-H3C(O)CH3
  710765.6766  0.0161 -4.7690 3  825.1857508  595161404631251 4    621350 4      C-13-H3C(O)CH3
  710765.6766  0.0161 -4.2653 3  825.1857508  595161404631351 4    621350 4      C-13-H3C(O)CH3
  710765.6766  0.0161 -4.7690 3  825.1857508  595161404631351 4    621250 4      C-13-H3C(O)CH3
  710767.3954  0.0090 -4.0123 3  304.5087552  595161404342114 0    331815 0      C-13-H3C(O)CH3
  710785.4653  0.0108 -3.9310 3  677.4467824  595161404512526 1    502625 1      C-13-H3C(O)CH3
  710796.7421  0.0119 -3.9310 3  677.4452824  595161404512526 2    502625 2      C-13-H3C(O)CH3
  710800.7152  0.0074 -4.3129 3  304.4630276  595161404342114 4    331815 4      C-13-H3C(O)CH3
  710801.4464  0.0107 -3.9309 3  677.4462824  595161404512626 1    502525 1      C-13-H3C(O)CH3
  710804.1137  0.2281 -5.7835 3 1027.2023984  595161404613922 1    604020 1      C-13-H3C(O)CH3
  710807.6276  0.0090 -4.3130 3  304.4628276  595161404342114 3    331815 3      C-13-H3C(O)CH3
  710812.9047  0.0118 -3.9309 3  677.4448824  595161404512626 2    502525 2      C-13-H3C(O)CH3
  710828.1198  0.0105 -5.0482 3  198.9533440  5951614042721 6 0    2618 9 0      C-13-H3C(O)CH3
  710848.6092  0.0133 -4.2321 3  677.4364412  595161404512526 3    502625 3      C-13-H3C(O)CH3
  710848.7387  0.0134 -4.2321 3  677.4364412  595161404512526 4    502625 4      C-13-H3C(O)CH3
  710863.6962  0.0084 -4.0128 3  304.4812552  595161404342114 2    331815 2      C-13-H3C(O)CH3
  710865.8955  0.0132 -4.2321 3  677.4360412  595161404512626 3    502525 3      C-13-H3C(O)CH3
  710865.9621  0.0132 -4.2321 3  677.4359412  595161404512626 4    502525 4      C-13-H3C(O)CH3
  710908.8345  0.0116 -3.8908 3  725.8906872 -595161404542332 0    532231 0      C-13-H3C(O)CH3
  710908.8345  0.0116 -3.8908 3  725.8906872 -595161404542232 0    532331 0      C-13-H3C(O)CH3
  710955.5168  0.0134 -3.8909 3  725.8831872  595161404542232 1    532331 1      C-13-H3C(O)CH3
  710955.5169  0.0134 -3.8909 3  725.8831872  595161404542332 1    532231 1      C-13-H3C(O)CH3
  710959.5595  0.0140 -3.8908 3  725.8827872  595161404542232 2    532331 2      C-13-H3C(O)CH3
  710959.5596  0.0140 -3.8908 3  725.8827872  595161404542332 2    532231 2      C-13-H3C(O)CH3
  711003.2264  0.0172 -5.8328 3  198.9272440  5951614042721 6 1    2618 9 1      C-13-H3C(O)CH3
  711006.4240  0.0159 -4.1919 3  725.8751436  595161404542232 3    532331 3      C-13-H3C(O)CH3
  711006.4242  0.0159 -4.1919 3  725.8751436  595161404542332 3    532231 3      C-13-H3C(O)CH3
  711006.5130  0.0159 -4.1919 3  725.8751436  595161404542232 4    532331 4      C-13-H3C(O)CH3
  711006.5131  0.0159 -4.1919 3  725.8751436  595161404542332 4    532231 4      C-13-H3C(O)CH3
  711010.6084  0.2351 -6.2084 3 1614.5028E96  59516140493 984 2    93 985 2      C-13-H3C(O)CH3
  711010.6084  0.2351 -6.2084 3 1614.5028E96  595161404931084 2    93 885 2      C-13-H3C(O)CH3
  711012.3498  0.2312 -6.1838 3 1614.5030E96  595161404931084 1    93 885 1      C-13-H3C(O)CH3
  711012.3498  0.2312 -6.1838 3 1614.5030E96  59516140493 984 1    93 985 1      C-13-H3C(O)CH3
  711032.9314  0.0181 -5.6543 3  198.9358440  5951614042721 6 2    2618 9 2      C-13-H3C(O)CH3
  711034.1484  0.2534 -5.8160 3 1063.6795500  595161404624023 3    614120 3      C-13-H3C(O)CH3
  711049.5926  0.3623 -5.7903 3 1063.6404A00  595161404624023 2    614120 2      C-13-H3C(O)CH3
  711083.7510  0.1103 -5.6531 3  980.1007484  595161404603625 4    593722 4      C-13-H3C(O)CH3
  711115.1811  0.2843 -5.5259 3  956.3770476  595161404593722 3    583821 3      C-13-H3C(O)CH3
  711171.0006  0.2826 -5.7634 3 1063.6376A00  595161404624023 1    614120 1      C-13-H3C(O)CH3
  711176.3472  0.0271 -4.3344 3  641.4291396  595161404492722 3    482821 3      C-13-H3C(O)CH3
  711183.1401  0.0273 -4.3344 3  641.4290396  595161404492722 4    482821 4      C-13-H3C(O)CH3
  711191.2296  0.2118 -5.9110 3 1063.6666500  595161404624023 4    614121 4      C-13-H3C(O)CH3
  711198.8683  0.0631 -5.6489 3  980.0972484  595161404603625 3    593722 3      C-13-H3C(O)CH3
  711223.4031  0.0294 -4.0327 3  641.4397792  595161404492722 2    482821 2      C-13-H3C(O)CH3
  711239.1677  0.0715 -5.3523 3  980.0849968  595161404603625 1    593722 1      C-13-H3C(O)CH3
  711239.3657  0.0189 -4.0324 3  641.4430792  595161404492722 1    482821 1      C-13-H3C(O)CH3
  711251.9853  0.0805 -5.3524 3  980.0850968  595161404603625 2    593722 2      C-13-H3C(O)CH3
  711266.4270  0.0076 -6.2070 3  124.9641376  595161404231311 2    22 814 2      C-13-H3C(O)CH3
  711280.9936  0.0211 -4.0317 3  641.4537792  595161404492722 0    482821 0      C-13-H3C(O)CH3
  711310.6801  0.1919 -5.6247 3 1027.1848984  595161404613922 2    604021 2      C-13-H3C(O)CH3
  711332.1385  0.1688 -6.1055 3 1558.6828E80  59516140492 984 0    92 785 0      C-13-H3C(O)CH3
  711332.1385  0.1688 -6.1055 3 1558.6828E80  59516140492 884 0    92 885 0      C-13-H3C(O)CH3
  711340.5506  0.0075 -6.2067 3  124.9658376  595161404231311 1    22 814 1      C-13-H3C(O)CH3
  711342.7416  0.0611 -5.3548 3  980.0713968  595161404603625 0    593722 0      C-13-H3C(O)CH3
  711346.1423  0.2162 -5.6039 3 1027.1843984  595161404613922 1    604021 1      C-13-H3C(O)CH3
  711348.2804  0.2456 -6.0881 3 1027.2181492  595161404613922 4    604021 4      C-13-H3C(O)CH3
  711358.2028  0.0242 -5.4042 3  226.2340236  5951614042921 9 4    281810 4      C-13-H3C(O)CH3
  711403.0001  0.0417 -6.0718 3  423.6805632  595161404392812 2    382711 2      C-13-H3C(O)CH3
  711424.5483  0.1839 -5.7448 3 1063.6279A00  595161404624023 2    614121 2      C-13-H3C(O)CH3
  711448.2996  0.0057 -4.1831 3  865.1007572  59516140471 368 4    70 467 4      C-13-H3C(O)CH3
  711448.2996  0.0057 -4.1831 3  865.1007572  59516140471 468 4    70 367 4      C-13-H3C(O)CH3
  711448.3244  0.0057 -4.6229 3  865.1007572  59516140471 468 3    70 367 3      C-13-H3C(O)CH3
  711448.3244  0.0057 -4.2343 3  865.1007572  59516140471 368 3    70 367 3      C-13-H3C(O)CH3
  711448.3553  0.0057 -4.2343 3  865.1007572 -59516140471 468 3    70 467 3      C-13-H3C(O)CH3
  711448.3553  0.0057 -4.7815 3  865.1007572 -59516140471 368 4    70 367 4      C-13-H3C(O)CH3
  711448.3553  0.0057 -4.7815 3  865.1007572 -59516140471 468 4    70 467 4      C-13-H3C(O)CH3
  711448.3553  0.0057 -4.6229 3  865.1007572 -59516140471 368 3    70 467 3      C-13-H3C(O)CH3
  711472.0000  0.1970 -5.7703 3 1063.6276A00  595161404624023 1    614121 1      C-13-H3C(O)CH3
  711473.1865  0.0079 -4.6707 3  865.1135B44  59516140471 368 1    70 367 1      C-13-H3C(O)CH3
  711473.1865  0.0079 -3.8449 3  865.1135B44  59516140471 468 1    70 367 1      C-13-H3C(O)CH3
  711473.2401  0.0081 -3.7866 3  865.1132B44  59516140471 468 2    70 467 2      C-13-H3C(O)CH3
  711473.2401  0.0081 -6.0898 3  865.1132B44  59516140471 368 2    70 467 2      C-13-H3C(O)CH3
  711473.3334  0.0079 -3.8449 3  865.1135B44 -59516140471 368 1    70 467 1      C-13-H3C(O)CH3
  711473.3334  0.0081 -6.0898 3  865.1132B44 -59516140471 468 2    70 367 2      C-13-H3C(O)CH3
  711473.3334  0.0079 -4.6707 3  865.1135B44 -59516140471 468 1    70 467 1      C-13-H3C(O)CH3
  711473.3334  0.0081 -3.7866 3  865.1132B44 -59516140471 368 2    70 367 2      C-13-H3C(O)CH3
  711486.7127  0.1976 -5.3836 3 1027.1485984  595161404613922 0    604021 0      C-13-H3C(O)CH3
  711498.0387  0.0059 -4.3129 3  865.1260B44 -59516140471 368 0    70 467 0      C-13-H3C(O)CH3
  711498.0387  0.0059 -4.3129 3  865.1260B44 -59516140471 468 0    70 367 0      C-13-H3C(O)CH3
  711498.0744  0.0059 -3.9370 3  865.1260B44  59516140471 468 0    70 467 0      C-13-H3C(O)CH3
  711498.0744  0.0059 -3.9370 3  865.1260B44  59516140471 368 0    70 367 0      C-13-H3C(O)CH3
  711530.8150  0.0122 -3.8854 3  740.7641888  595161404552234 0    542133 0      C-13-H3C(O)CH3
  711530.8150  0.0122 -3.8854 3  740.7641888  595161404552134 0    542233 0      C-13-H3C(O)CH3
  711535.6417  0.1989 -5.4660 3 1063.5911A00  595161404624023 0    614120 0      C-13-H3C(O)CH3
  711548.7711  0.1795 -6.1285 3 1558.6597E80  59516140492 984 2    92 885 2      C-13-H3C(O)CH3
  711548.7711  0.1795 -6.1285 3 1558.6597E80  59516140492 884 2    92 785 2      C-13-H3C(O)CH3
  711576.2784  0.0142 -3.8855 3  740.7564888  595161404552134 1    542233 1      C-13-H3C(O)CH3
  711576.2784  0.0142 -3.8855 3  740.7564888  595161404552234 1    542133 1      C-13-H3C(O)CH3
  711579.3645  0.0147 -3.8854 3  740.7561888  595161404552134 2    542233 2      C-13-H3C(O)CH3
  711579.3645  0.0147 -3.8853 3  740.7561888  595161404552234 2    542133 2      C-13-H3C(O)CH3
  711597.7089  0.2086 -4.9080 3  734.2141420  595161404523121 3    513220 3      C-13-H3C(O)CH3
  711624.8866  0.0167 -4.1864 3  740.7483444  595161404552234 3    542133 3      C-13-H3C(O)CH3
  711624.8866  0.0167 -4.1864 3  740.7483444  595161404552134 3    542233 3      C-13-H3C(O)CH3
  711624.9715  0.0167 -4.1864 3  740.7483444  595161404552134 4    542233 4      C-13-H3C(O)CH3
  711624.9715  0.0167 -4.1864 3  740.7483444  595161404552234 4    542133 4      C-13-H3C(O)CH3
  711627.8241  0.0077 -6.2053 3  124.9508376  595161404231311 0    22 814 0      C-13-H3C(O)CH3
  711633.0475  0.0049 -5.8610 3  433.9487648  595161404402615 1    392515 1      C-13-H3C(O)CH3
  711654.0528  0.0039 -3.3086 3  415.8183616 -5951614043830 8 0    3729 9 0      C-13-H3C(O)CH3
  711654.0528  0.0039 -3.3086 3  415.8183616 -5951614043830 9 0    3729 8 0      C-13-H3C(O)CH3
  711674.1750  0.0050 -5.2198 3  433.9488648  595161404402615 2    392515 2      C-13-H3C(O)CH3
  711678.4111  0.0047 -3.3087 3  415.7790616 -5951614043830 9 1    3729 9 1      C-13-H3C(O)CH3
  711684.1097  0.0059 -5.2028 3  433.9293324  595161404402615 4    392515 4      C-13-H3C(O)CH3
  711695.3161  0.0261 -5.5649 3  423.6616632  595161404392812 1    382711 1      C-13-H3C(O)CH3
  711700.0951  0.0046 -3.3086 3  415.7963616 -5951614043830 9 2    3729 9 2      C-13-H3C(O)CH3
  711708.6350  0.0241 -5.6860 3  212.2501228  5951614042821 8 4    2718 9 4      C-13-H3C(O)CH3
  711725.0678  0.0060 -3.6097 3  415.7566308  5951614043830 9 4    3729 9 4      C-13-H3C(O)CH3
  711735.1807  0.1940 -4.9114 3  734.2101420  595161404523121 4    513220 4      C-13-H3C(O)CH3
  711760.7654  0.0050 -6.0777 3  433.9310324  595161404402615 3    392515 3      C-13-H3C(O)CH3
  711766.4647  0.0043 -3.3087 3  415.8109616 -5951614043830 8 2    3729 8 2      C-13-H3C(O)CH3
  711772.7786  0.0155 -5.0740 3  226.2492472  5951614042921 9 1    281810 1      C-13-H3C(O)CH3
  711785.9898  0.2086 -5.7072 3  956.3580476  595161404593722 4    583821 4      C-13-H3C(O)CH3
  711791.7226  0.0057 -3.6098 3  415.7714308  5951614043830 9 3    3729 9 3      C-13-H3C(O)CH3
  711810.0364  0.0043 -3.3084 3  415.7965616 -5951614043830 8 1    3729 8 1      C-13-H3C(O)CH3
  711816.9383  0.0114 -4.6075 3  834.4583A32  595161404641153 0    631252 0      C-13-H3C(O)CH3
  711816.9383  0.0114 -4.6075 3  834.4583A32  595161404641253 0    631152 0      C-13-H3C(O)CH3
  711816.9383  0.0114 -3.9268 3  834.4583A32  595161404641153 0    631152 0      C-13-H3C(O)CH3
  711816.9383  0.0114 -3.9268 3  834.4583A32  595161404641253 0    631252 0      C-13-H3C(O)CH3
  711821.0211  0.0217 -5.3087 3  226.2339236  5951614042921 9 3    281810 3      C-13-H3C(O)CH3
  711838.3212  0.0217 -3.8520 3  834.4337A32  595161404641253 1    631252 1      C-13-H3C(O)CH3
  711838.3212  0.0217 -3.8520 3  834.4337A32  595161404641153 1    631152 1      C-13-H3C(O)CH3
  711838.3212  0.0217 -5.6091 3  834.4337A32  595161404641253 1    631152 1      C-13-H3C(O)CH3
  711838.3212  0.0217 -5.6091 3  834.4337A32  595161404641153 1    631252 1      C-13-H3C(O)CH3
  711838.6483  0.0214 -6.0758 3  834.4334A32  595161404641153 2    631152 2      C-13-H3C(O)CH3
  711838.6483  0.0214 -3.8460 3  834.4334A32  595161404641153 2    631252 2      C-13-H3C(O)CH3
  711838.6483  0.0214 -3.8470 3  834.4334A32  595161404641253 2    631152 2      C-13-H3C(O)CH3
  711857.0879  0.0056 -3.6095 3  415.7743308  5951614043830 8 3    3729 8 3      C-13-H3C(O)CH3
  711860.0582  0.0156 -4.4127 3  834.4087516  595161404641153 3    631252 3      C-13-H3C(O)CH3
  711860.0582  0.0156 -4.4830 3  834.4087516  595161404641253 3    631252 3      C-13-H3C(O)CH3
  711860.0582  0.0156 -4.4127 3  834.4087516  595161404641253 3    631152 3      C-13-H3C(O)CH3
  711860.0582  0.0156 -4.4830 3  834.4087516  595161404641153 3    631152 3      C-13-H3C(O)CH3
  711860.0698  0.0156 -4.1525 3  834.4087516  595161404641153 4    631252 4      C-13-H3C(O)CH3
  711860.0698  0.0156 -5.9330 3  834.4087516  595161404641253 4    631252 4      C-13-H3C(O)CH3
  711860.0698  0.0156 -5.9330 3  834.4087516  595161404641153 4    631152 4      C-13-H3C(O)CH3
  711860.0698  0.0156 -4.1525 3  834.4087516  595161404641253 4    631152 4      C-13-H3C(O)CH3
  711876.1672  0.0092 -3.9629 3  659.8760808  595161404502624 0    492723 0      C-13-H3C(O)CH3
  711905.7302  0.1546 -6.0596 3 1503.4203E64  59516140491 784 0    91 685 0      C-13-H3C(O)CH3
  711905.7302  0.1546 -6.0596 3 1503.4203E64  59516140491 884 0    91 785 0      C-13-H3C(O)CH3
  711922.9753  0.0058 -3.6096 3  415.7890308 -5951614043830 8 4    3729 8 4      C-13-H3C(O)CH3
  711923.5375  0.0104 -3.9631 3  659.8659808  595161404502624 1    492723 1      C-13-H3C(O)CH3
  711939.2167  0.0123 -3.9631 3  659.8636808  595161404502624 2    492723 2      C-13-H3C(O)CH3
  711946.6525  0.0487 -5.6326 3  423.6515316  595161404392812 3    382711 3      C-13-H3C(O)CH3
  711986.0378  0.0134 -4.2643 3  659.8535404  595161404502624 3    492723 3      C-13-H3C(O)CH3
  711986.6863  0.0134 -4.2643 3  659.8535404  595161404502624 4    492723 4      C-13-H3C(O)CH3
  711988.0898  0.2250 -5.3088 3  956.3357952  595161404593722 2    583821 2      C-13-H3C(O)CH3
  712013.9688  0.1946 -5.2943 3  956.3346952  595161404593722 1    583821 1      C-13-H3C(O)CH3
  712063.3882  0.0045 -3.4278 3  423.6774632 -595161404392812 0    382711 0      C-13-H3C(O)CH3
  712086.0556  0.2169 -6.0122 3 1503.3905E64  59516140491 784 2    91 785 2      C-13-H3C(O)CH3
  712086.0556  0.2169 -6.0122 3 1503.3905E64  59516140491 884 2    91 685 2      C-13-H3C(O)CH3
  712087.2968  0.2307 -6.0167 3 1503.3906E64  59516140491 884 1    91 785 1      C-13-H3C(O)CH3
  712087.2968  0.2307 -6.0167 3 1503.3906E64  59516140491 784 1    91 685 1      C-13-H3C(O)CH3
  712114.5906  0.0054 -3.4311 3  423.6477632 -595161404392812 1    382712 1      C-13-H3C(O)CH3
  712139.3484  0.0045 -3.4278 3  423.6756632 -595161404392811 0    382712 0      C-13-H3C(O)CH3
  712179.1175  0.0051 -3.4285 3  423.6546632 -595161404392812 2    382712 2      C-13-H3C(O)CH3
  712190.4164  0.0061 -3.7291 3  423.6256316  595161404392812 4    382712 4      C-13-H3C(O)CH3
  712224.1072  0.0203 -5.5272 3  226.2339236  5951614042921 8 3    281810 3      C-13-H3C(O)CH3
  712227.5722  0.0044 -3.4310 3  423.6616632 -595161404392811 1    382711 1      C-13-H3C(O)CH3
  712231.5006  0.0047 -3.4289 3  423.6805632 -595161404392811 2    382711 2      C-13-H3C(O)CH3
  712242.9742  0.0059 -3.7345 3  423.6515316  595161404392811 3    382711 3      C-13-H3C(O)CH3
  712283.2753  0.0127 -3.9202 3  755.0427904  595161404562136 0    552035 0      C-13-H3C(O)CH3
  712283.2753  0.0127 -4.9545 3  755.0427904  595161404562036 0    552035 0      C-13-H3C(O)CH3
  712283.2753  0.0127 -3.8819 3  755.0427904  595161404562036 0    552135 0      C-13-H3C(O)CH3
  712308.3802  0.0056 -3.7340 3  423.6394316  595161404392812 3    382712 3      C-13-H3C(O)CH3
  712327.4058  0.0149 -4.1495 3  755.0344904  595161404562036 1    552135 1      C-13-H3C(O)CH3
  712327.4058  0.0149 -4.2189 3  755.0344904  595161404562136 1    552135 1      C-13-H3C(O)CH3
  712327.4058  0.0149 -4.3303 3  755.0344904  595161404562136 1    552035 1      C-13-H3C(O)CH3
  712327.4058  0.0149 -4.0729 3  755.0344904  595161404562036 1    552035 1      C-13-H3C(O)CH3
  712329.8045  0.0153 -5.9662 3  755.0342904  595161404562136 2    552135 2      C-13-H3C(O)CH3
  712329.8045  0.0153 -3.8854 3  755.0342904  595161404562136 2    552035 2      C-13-H3C(O)CH3
  712329.8045  0.0153 -3.8854 3  755.0342904  595161404562036 2    552135 2      C-13-H3C(O)CH3
  712329.8045  0.0153 -5.9662 3  755.0342904  595161404562036 2    552035 2      C-13-H3C(O)CH3
  712343.1709  0.0086 -3.9622 3  659.8640808  595161404502724 0    492623 0      C-13-H3C(O)CH3
  712360.8145  0.0052 -3.7293 3  423.6653316  595161404392811 4    382711 4      C-13-H3C(O)CH3
  712373.9910  0.0173 -4.2088 3  755.0259452  595161404562036 3    552135 3      C-13-H3C(O)CH3
  712373.9910  0.0173 -5.4191 3  755.0259452  595161404562136 3    552135 3      C-13-H3C(O)CH3
  712373.9910  0.0173 -4.1829 3  755.0259452  595161404562136 3    552035 3      C-13-H3C(O)CH3
  712374.0715  0.0173 -4.1864 3  755.0259452  595161404562036 4    552035 4      C-13-H3C(O)CH3
  712374.0715  0.0173 -4.1864 3  755.0259452  595161404562136 4    552135 4      C-13-H3C(O)CH3
  712390.1781  0.0068 -4.5516 3  200.3611244  595161404301020 4    29 921 4      C-13-H3C(O)CH3
  712390.1784  0.0068 -4.5516 3  200.3611244  595161404301120 4    29 821 4      C-13-H3C(O)CH3
  712390.5452  0.0055 -4.5516 3  200.3611244  595161404301020 3    29 921 3      C-13-H3C(O)CH3
  712390.5456  0.0055 -4.5516 3  200.3611244  595161404301120 3    29 821 3      C-13-H3C(O)CH3
  712393.5163  0.0148 -5.3173 3  212.2616456  5951614042821 8 1    2718 9 1      C-13-H3C(O)CH3
  712410.4552  0.0098 -3.9624 3  659.8535808  595161404502724 1    492623 1      C-13-H3C(O)CH3
  712432.5666  0.0100 -3.9624 3  659.8510808  595161404502724 2    492623 2      C-13-H3C(O)CH3
  712457.6178  0.2145 -4.6052 3  734.2075840  595161404523121 2    513220 2      C-13-H3C(O)CH3
  712470.9276  0.2041 -5.2224 3  956.3059952  595161404593722 0    583821 0      C-13-H3C(O)CH3
  712478.1411  0.0165 -5.0215 3  226.2416472  5951614042921 9 2    281810 2      C-13-H3C(O)CH3
  712500.1160  0.0112 -4.2636 3  659.8404404  595161404502724 4    492623 4      C-13-H3C(O)CH3
  712500.5720  0.0113 -4.2636 3  659.8404404  595161404502724 3    492623 3      C-13-H3C(O)CH3
  712500.8998  0.0201 -5.5343 3  212.2462228  5951614042821 8 3    2718 9 3      C-13-H3C(O)CH3
  712519.2936  0.1730 -5.9748 3 1448.7292E48  59516140490 784 0    90 685 0      C-13-H3C(O)CH3
  712519.2936  0.1730 -5.9748 3 1448.7292E48  59516140490 684 0    90 585 0      C-13-H3C(O)CH3
  712604.7019  0.0496 -5.6320 3  423.6394316  595161404392811 3    382712 3      C-13-H3C(O)CH3
  712625.1400  0.2992 -5.9823 3 1448.6956E48  59516140490 684 1    90 685 1      C-13-H3C(O)CH3
  712625.1400  0.2992 -5.9823 3 1448.6956E48  59516140490 784 1    90 585 1      C-13-H3C(O)CH3
  712625.6905  0.2886 -6.2172 3 1448.6955E48  59516140490 684 2    90 585 2      C-13-H3C(O)CH3
  712625.6905  0.2886 -6.2172 3 1448.6955E48  59516140490 784 2    90 685 2      C-13-H3C(O)CH3
  712625.7863  0.0141 -5.1359 3  226.2492472  5951614042921 8 1    281810 1      C-13-H3C(O)CH3
  712635.4079  0.0052 -4.0804 3  869.4676580  59516140472 370 4    71 369 4      C-13-H3C(O)CH3
  712635.5017  0.0052 -4.0804 3  869.4676580 -59516140472 270 4    71 269 4      C-13-H3C(O)CH3
  712635.5017  0.0052 -4.0789 3  869.4675580 -59516140472 370 3    71 369 3      C-13-H3C(O)CH3
  712635.5017  0.0052 -4.0789 3  869.4675580 -59516140472 270 3    71 269 3      C-13-H3C(O)CH3
  712646.9116  0.0268 -5.5640 3  423.6477632  595161404392811 1    382712 1      C-13-H3C(O)CH3
  712649.2425  0.0050 -4.2502 3  200.3626488  595161404301020 2    29 921 2      C-13-H3C(O)CH3
  712649.2429  0.0050 -4.2502 3  200.3626488  595161404301120 2    29 821 2      C-13-H3C(O)CH3
  712660.3393  0.0083 -3.8398 3  869.4646B60 -59516140472 270 1    71 269 1      C-13-H3C(O)CH3
  712660.3393  0.0089 -5.4288 3  869.4642B60 -59516140472 370 2    71 369 2      C-13-H3C(O)CH3
  712660.3393  0.0089 -3.7877 3  869.4642B60 -59516140472 270 2    71 369 2      C-13-H3C(O)CH3
  712660.3393  0.0083 -4.6541 3  869.4646B60 -59516140472 370 1    71 269 1      C-13-H3C(O)CH3
  712660.3393  0.0089 -5.4288 3  869.4642B60 -59516140472 270 2    71 269 2      C-13-H3C(O)CH3
  712660.3393  0.0089 -3.7877 3  869.4642B60 -59516140472 370 2    71 269 2      C-13-H3C(O)CH3
  712660.3393  0.0083 -4.6541 3  869.4646B60 -59516140472 270 1    71 369 1      C-13-H3C(O)CH3
  712660.3393  0.0083 -3.8398 3  869.4646B60 -59516140472 370 1    71 369 1      C-13-H3C(O)CH3
  712663.1324  0.0051 -4.2503 3  200.3638488  595161404301020 1    29 921 1      C-13-H3C(O)CH3
  712663.1328  0.0051 -4.2503 3  200.3638488  595161404301120 1    29 821 1      C-13-H3C(O)CH3
  712674.9281  0.0200 -5.4045 3  226.2340236  5951614042921 8 4    281810 4      C-13-H3C(O)CH3
  712685.1877  0.0060 -4.0891 3  869.4612B60  59516140472 370 0    71 369 0      C-13-H3C(O)CH3
  712685.1877  0.0060 -4.0891 3  869.4612B60  59516140472 270 0    71 269 0      C-13-H3C(O)CH3
  712685.2048  0.0060 -4.0689 3  869.4612B60 -59516140472 370 0    71 269 0      C-13-H3C(O)CH3
  712685.2048  0.0060 -4.0689 3  869.4612B60 -59516140472 270 0    71 369 0      C-13-H3C(O)CH3
  712701.7654  0.1271 -4.6039 3  734.2070840  595161404523121 1    513220 1      C-13-H3C(O)CH3
  712796.6935  0.0177 -5.5092 3  212.2462228  5951614042821 7 3    2718 9 3      C-13-H3C(O)CH3
  712831.5845  0.0112 -4.8053 3  226.2569472  5951614042921 9 0    281810 0      C-13-H3C(O)CH3
  712921.3344  0.0051 -4.2498 3  200.3653488  595161404301020 0    29 921 0      C-13-H3C(O)CH3
  712921.3347  0.0051 -4.2498 3  200.3653488  595161404301120 0    29 821 0      C-13-H3C(O)CH3
  712930.1545  0.0061 -4.3275 3  253.1418260  595161404321517 4    311418 4      C-13-H3C(O)CH3
  712930.2466  0.0055 -4.3275 3  253.1418260  595161404321517 3    311418 3      C-13-H3C(O)CH3
  712933.6668  0.0117 -3.8436 3  843.1445A48  595161404651055 0    641154 0      C-13-H3C(O)CH3
  712933.6668  0.0117 -3.8429 3  843.1445A48  595161404651155 0    641054 0      C-13-H3C(O)CH3
  712950.2683  0.0230 -4.3272 3  843.1175A48  595161404651155 1    641154 1      C-13-H3C(O)CH3
  712950.2683  0.0230 -4.0151 3  843.1175A48  595161404651155 1    641054 1      C-13-H3C(O)CH3
  712950.2683  0.0230 -4.3272 3  843.1175A48  595161404651055 1    641054 1      C-13-H3C(O)CH3
  712950.2683  0.0230 -4.0151 3  843.1175A48  595161404651055 1    641154 1      C-13-H3C(O)CH3
  712950.5613  0.0226 -4.5796 3  843.1173A48  595161404651055 2    641054 2      C-13-H3C(O)CH3
  712950.5613  0.0226 -3.9306 3  843.1173A48  595161404651155 2    641054 2      C-13-H3C(O)CH3
  712950.5613  0.0226 -4.5796 3  843.1173A48  595161404651155 2    641154 2      C-13-H3C(O)CH3
  712950.5613  0.0226 -3.9306 3  843.1173A48  595161404651055 2    641154 2      C-13-H3C(O)CH3
  712950.8396  0.0157 -5.2107 3  226.2416472  5951614042921 8 2    281810 2      C-13-H3C(O)CH3
  712954.4515  0.0060 -4.3275 3  253.1418260  595161404321617 4    311318 4      C-13-H3C(O)CH3
  712954.6200  0.0055 -4.3275 3  253.1418260  595161404321617 3    311318 3      C-13-H3C(O)CH3
  712964.3245  0.0159 -5.2620 3  212.2590456  5951614042821 8 2    2718 9 2      C-13-H3C(O)CH3
  712967.1854  0.0151 -4.1474 3  843.0902524  595161404651055 4    641054 4      C-13-H3C(O)CH3
  712967.1854  0.0151 -6.2101 3  843.0902524  595161404651155 4    641054 4      C-13-H3C(O)CH3
  712967.1854  0.0151 -6.2101 3  843.0902524  595161404651055 4    641154 4      C-13-H3C(O)CH3
  712967.1854  0.0151 -4.1474 3  843.0902524  595161404651155 4    641154 4      C-13-H3C(O)CH3
  712967.1856  0.0151 -4.1676 3  843.0902524  595161404651155 3    641154 3      C-13-H3C(O)CH3
  712967.1856  0.0151 -4.1676 3  843.0902524  595161404651055 3    641054 3      C-13-H3C(O)CH3
  712967.1856  0.0151 -5.4146 3  843.0902524  595161404651155 3    641054 3      C-13-H3C(O)CH3
  712967.1856  0.0151 -5.4146 3  843.0902524  595161404651055 3    641154 3      C-13-H3C(O)CH3
  713007.6269  0.0432 -6.0703 3  423.6546632  595161404392811 2    382712 2      C-13-H3C(O)CH3
  713008.6291  0.0052 -4.0265 3  253.1590520  595161404321517 2    311418 2      C-13-H3C(O)CH3
  713033.2455  0.0052 -4.0264 3  253.1590520  595161404321617 2    311318 2      C-13-H3C(O)CH3
  713040.6720  0.0052 -4.0265 3  253.1618520  595161404321517 1    311418 1      C-13-H3C(O)CH3
  713064.3594  0.0052 -4.0265 3  253.1618520  595161404321617 1    311318 1      C-13-H3C(O)CH3
  713117.3995  0.3973 -6.1256 3  922.0491468  595161404583622 4    573720 4      C-13-H3C(O)CH3
  713118.9602  0.0050 -4.0264 3  253.1790520  595161404321517 0    311418 0      C-13-H3C(O)CH3
  713127.1992  0.0131 -3.8800 3  768.7397920  595161404571938 0    561937 0      C-13-H3C(O)CH3
  713127.1992  0.0131 -3.8800 3  768.7397920  595161404572038 0    562037 0      C-13-H3C(O)CH3
  713142.8971  0.0050 -4.0264 3  253.1789520  595161404321617 0    311318 0      C-13-H3C(O)CH3
  713168.5579  0.3413 -6.0332 3 1394.5753E32  59516140489 684 1    89 585 1      C-13-H3C(O)CH3
  713168.5579  0.3413 -6.0332 3 1394.5753E32  59516140489 584 1    89 485 1      C-13-H3C(O)CH3
  713169.9450  0.0155 -3.9762 3  768.7307920  595161404571938 1    562037 1      C-13-H3C(O)CH3
  713169.9450  0.0155 -4.5794 3  768.7307920  595161404571938 1    561937 1      C-13-H3C(O)CH3
  713169.9450  0.0155 -3.9762 3  768.7307920  595161404572038 1    561937 1      C-13-H3C(O)CH3
  713169.9450  0.0155 -4.5794 3  768.7307920  595161404572038 1    562037 1      C-13-H3C(O)CH3
  713171.2920  0.3357 -5.9320 3 1394.5751E32  59516140489 684 2    89 485 2      C-13-H3C(O)CH3
  713171.2920  0.3357 -5.9320 3 1394.5751E32  59516140489 584 2    89 585 2      C-13-H3C(O)CH3
  713171.8292  0.0158 -4.1783 3  768.7305920  595161404572038 2    561937 2      C-13-H3C(O)CH3
  713171.8292  0.0158 -4.1827 3  768.7305920  595161404571938 2    561937 2      C-13-H3C(O)CH3
  713171.8292  0.0158 -4.1783 3  768.7305920  595161404571938 2    562037 2      C-13-H3C(O)CH3
  713171.8292  0.0158 -4.1827 3  768.7305920  595161404572038 2    562037 2      C-13-H3C(O)CH3
  713187.8196  0.1918 -6.0801 3 1394.6083E32  59516140489 684 0    89 585 0      C-13-H3C(O)CH3
  713187.8196  0.1918 -6.0801 3 1394.6083E32  59516140489 584 0    89 485 0      C-13-H3C(O)CH3
  713198.1636  0.2442 -5.9086 3 1063.6883500  595161404624022 4    614120 4      C-13-H3C(O)CH3
  713214.6283  0.0178 -4.9655 3  768.7214460  595161404571938 3    562037 3      C-13-H3C(O)CH3
  713214.6283  0.0178 -4.2583 3  768.7214460  595161404571938 3    561937 3      C-13-H3C(O)CH3
  713214.6283  0.0178 -4.9655 3  768.7214460  595161404572038 3    561937 3      C-13-H3C(O)CH3
  713214.6283  0.0178 -4.2583 3  768.7214460  595161404572038 3    562037 3      C-13-H3C(O)CH3
  713214.7041  0.0178 -5.0488 3  768.7214460  595161404572038 4    561937 4      C-13-H3C(O)CH3
  713214.7041  0.0178 -4.2437 3  768.7214460  595161404572038 4    562037 4      C-13-H3C(O)CH3
  713214.7041  0.0178 -4.2437 3  768.7214460  595161404571938 4    561937 4      C-13-H3C(O)CH3
  713214.7041  0.0178 -5.0488 3  768.7214460  595161404571938 4    562037 4      C-13-H3C(O)CH3
  713353.1588  0.0177 -5.4038 3  212.2501228  5951614042821 7 4    2718 9 4      C-13-H3C(O)CH3
  713354.7776  0.2170 -5.8126 3 1063.6753500  595161404624022 3    614121 3      C-13-H3C(O)CH3
  713361.0532  0.0123 -5.1431 3  212.2616456  5951614042821 7 1    2718 9 1      C-13-H3C(O)CH3
  713405.2138  0.2591 -5.7423 3 1063.6404A00  595161404624022 2    614120 2      C-13-H3C(O)CH3
  713494.4905  0.1426 -4.6003 3  734.2025840  595161404523121 0    513220 0      C-13-H3C(O)CH3
  713520.6784  0.1448 -6.2104 3 1341.0035708  59516140488 484 3    88 485 3      C-13-H3C(O)CH3
  713520.6784  0.1448 -6.2104 3 1341.0035708  59516140488 584 3    88 385 3      C-13-H3C(O)CH3
  713530.4716  0.2409 -5.7676 3 1063.6376A00  595161404624022 1    614120 1      C-13-H3C(O)CH3
  713573.4400  0.0104 -4.9229 3  212.2724456  5951614042821 8 0    2718 9 0      C-13-H3C(O)CH3
  713637.4163  0.0141 -5.1880 3  212.2590456  5951614042821 7 2    2718 9 2      C-13-H3C(O)CH3
  713722.4823  0.3282 -6.0736 3 1341.0297E16  59516140488 584 1    88 385 1      C-13-H3C(O)CH3
  713722.4823  0.3282 -6.0736 3 1341.0297E16  59516140488 484 1    88 485 1      C-13-H3C(O)CH3
  713726.8673  0.3274 -5.9297 3 1341.0293E16  59516140488 584 2    88 485 2      C-13-H3C(O)CH3
  713726.8673  0.3274 -5.9297 3 1341.0293E16  59516140488 484 2    88 385 2      C-13-H3C(O)CH3
  713780.1695  0.2150 -5.7861 3 1063.6279A00  595161404624022 2    614121 2      C-13-H3C(O)CH3
  713831.4710  0.2449 -5.7593 3 1063.6276A00  595161404624022 1    614121 1      C-13-H3C(O)CH3
  713835.8827  0.0062 -4.1311 3  873.3079588  59516140473 272 3    72 271 3      C-13-H3C(O)CH3
  713835.8827  0.0062 -4.9648 3  873.3079588  59516140473 172 3    72 271 3      C-13-H3C(O)CH3
  713835.9003  0.0062 -4.0717 3  873.3079588  59516140473 272 4    72 271 4      C-13-H3C(O)CH3
  713835.9054  0.0062 -4.9648 3  873.3079588 -59516140473 272 3    72 171 3      C-13-H3C(O)CH3
  713835.9054  0.0062 -4.1311 3  873.3079588 -59516140473 172 3    72 171 3      C-13-H3C(O)CH3
  713835.9054  0.0062 -4.0717 3  873.3079588 -59516140473 172 4    72 171 4      C-13-H3C(O)CH3
  713854.6619  0.0097 -4.9604 3  873.2803B76  59516140473 172 2    72 271 2      C-13-H3C(O)CH3
  713854.6619  0.0097 -4.9604 3  873.2803B76  59516140473 272 2    72 171 2      C-13-H3C(O)CH3
  713854.6829  0.0097 -3.7996 3  873.2803B76 -59516140473 172 2    72 171 2      C-13-H3C(O)CH3
  713854.6829  0.0089 -3.8182 3  873.2807B76 -59516140473 272 1    72 171 1      C-13-H3C(O)CH3
  713854.6829  0.0089 -4.7545 3  873.2807B76 -59516140473 172 1    72 171 1      C-13-H3C(O)CH3
  713854.6829  0.0097 -3.7996 3  873.2803B76 -59516140473 272 2    72 271 2      C-13-H3C(O)CH3
  713854.7541  0.0089 -4.7545 3  873.2807B76  59516140473 272 1    72 271 1      C-13-H3C(O)CH3
  713854.7541  0.0089 -3.8182 3  873.2807B76  59516140473 172 1    72 271 1      C-13-H3C(O)CH3
  713873.4349  0.0063 -3.7888 3  873.2532B76 -59516140473 272 0    72 171 0      C-13-H3C(O)CH3
  713873.4349  0.0063 -3.7888 3  873.2532B76 -59516140473 172 0    72 271 0      C-13-H3C(O)CH3
  713873.4815  0.0063 -5.1558 3  873.2532B76  59516140473 272 0    72 271 0      C-13-H3C(O)CH3
  713873.4815  0.0063 -5.1558 3  873.2532B76  59516140473 172 0    72 171 0      C-13-H3C(O)CH3
  713911.7735  0.2129 -5.4626 3 1063.5877A00  595161404624022 0    614121 0      C-13-H3C(O)CH3
  713928.5367  0.1864 -6.0724 3 1341.0554E16  59516140488 484 0    88 385 0      C-13-H3C(O)CH3
  713928.5367  0.1864 -6.0724 3 1341.0554E16  59516140488 584 0    88 485 0      C-13-H3C(O)CH3
  714037.5132  0.0132 -3.8844 3  781.8652936  595161404581840 0    571939 0      C-13-H3C(O)CH3
  714037.5132  0.0132 -5.7214 3  781.8652936  595161404581940 0    571939 0      C-13-H3C(O)CH3
  714037.5132  0.0132 -3.8844 3  781.8652936  595161404581940 0    571839 0      C-13-H3C(O)CH3
  714037.5132  0.0132 -5.7214 3  781.8652936  595161404581840 0    571839 0      C-13-H3C(O)CH3
  714063.1349  0.0120 -4.1657 3  851.2904A64 -59516140466 957 0    651056 0      C-13-H3C(O)CH3
  714063.1349  0.0120 -4.1187 3  851.2904A64 -59516140466 957 0    65 956 0      C-13-H3C(O)CH3
  714063.1349  0.0120 -4.1657 3  851.2904A64 -595161404661057 0    65 956 0      C-13-H3C(O)CH3
  714063.1349  0.0120 -4.1187 3  851.2904A64 -595161404661057 0    651056 0      C-13-H3C(O)CH3
  714074.4552  0.0235 -4.3916 3  851.2611A64 -59516140466 957 2    65 956 2      C-13-H3C(O)CH3
  714074.4552  0.0235 -3.9838 3  851.2611A64 -59516140466 957 2    651056 2      C-13-H3C(O)CH3
  714074.4552  0.0238 -4.5199 3  851.2613A64 -59516140466 957 1    65 956 1      C-13-H3C(O)CH3
  714074.4552  0.0238 -3.9424 3  851.2613A64 -59516140466 957 1    651056 1      C-13-H3C(O)CH3
  714074.4552  0.0238 -3.9424 3  851.2613A64 -595161404661057 1    65 956 1      C-13-H3C(O)CH3
  714074.4552  0.0235 -4.3916 3  851.2611A64 -595161404661057 2    651056 2      C-13-H3C(O)CH3
  714074.4552  0.0235 -3.9838 3  851.2611A64 -595161404661057 2    65 956 2      C-13-H3C(O)CH3
  714074.4552  0.0238 -4.5199 3  851.2613A64 -595161404661057 1    651056 1      C-13-H3C(O)CH3
  714078.7693  0.0161 -3.9681 3  781.8552936  595161404581940 1    571839 1      C-13-H3C(O)CH3
  714078.7693  0.0161 -4.6058 3  781.8552936  595161404581940 1    571939 1      C-13-H3C(O)CH3
  714078.7693  0.0161 -3.9681 3  781.8552936  595161404581840 1    571939 1      C-13-H3C(O)CH3
  714078.7693  0.0161 -4.6058 3  781.8552936  595161404581840 1    571839 1      C-13-H3C(O)CH3
  714080.2555  0.0163 -5.8433 3  781.8550936  595161404581940 2    571939 2      C-13-H3C(O)CH3
  714080.2555  0.0163 -3.8828 3  781.8550936  595161404581940 2    571839 2      C-13-H3C(O)CH3
  714080.2555  0.0163 -3.8828 3  781.8550936  595161404581840 2    571939 2      C-13-H3C(O)CH3
  714080.2555  0.0163 -5.8433 3  781.8550936  595161404581840 2    571839 2      C-13-H3C(O)CH3
  714085.7118  0.0144 -4.1460 3  851.2319532  59516140466 957 4    651056 4      C-13-H3C(O)CH3
  714085.7118  0.0144 -6.1217 3  851.2319532  595161404661057 4    651056 4      C-13-H3C(O)CH3
  714085.7118  0.0144 -4.1460 3  851.2319532  595161404661057 4    65 956 4      C-13-H3C(O)CH3
  714085.7118  0.0144 -6.1217 3  851.2319532  59516140466 957 4    65 956 4      C-13-H3C(O)CH3
  714085.7244  0.0144 -4.1537 3  851.2320532  59516140466 957 3    65 956 3      C-13-H3C(O)CH3
  714085.7244  0.0144 -5.6963 3  851.2320532  59516140466 957 3    651056 3      C-13-H3C(O)CH3
  714085.7244  0.0144 -4.1537 3  851.2320532  595161404661057 3    651056 3      C-13-H3C(O)CH3
  714085.7244  0.0144 -5.6963 3  851.2320532  595161404661057 3    65 956 3      C-13-H3C(O)CH3
  714121.5620  0.0182 -4.2481 3  781.8449468  595161404581940 3    571939 3      C-13-H3C(O)CH3
  714121.5620  0.0182 -5.0120 3  781.8449468  595161404581940 3    571839 3      C-13-H3C(O)CH3
  714121.5620  0.0182 -5.0120 3  781.8449468  595161404581840 3    571939 3      C-13-H3C(O)CH3
  714121.5620  0.0182 -4.2481 3  781.8449468  595161404581840 3    571839 3      C-13-H3C(O)CH3
  714121.6328  0.0182 -4.6722 3  781.8448468  595161404581940 4    571839 4      C-13-H3C(O)CH3
  714121.6328  0.0182 -4.3475 3  781.8448468  595161404581840 4    571839 4      C-13-H3C(O)CH3
  714121.6328  0.0182 -4.3475 3  781.8448468  595161404581940 4    571939 4      C-13-H3C(O)CH3
  714121.6328  0.0182 -4.6722 3  781.8448468  595161404581840 4    571939 4      C-13-H3C(O)CH3
  714179.7494  0.3614 -6.2182 3  922.0093936  595161404583622 2    573720 2      C-13-H3C(O)CH3
  714292.6805  0.2477 -5.9271 3 1288.0587E00  59516140487 484 1    87 385 1      C-13-H3C(O)CH3
  714292.6805  0.2477 -5.9271 3 1288.0587E00  59516140487 384 1    87 285 1      C-13-H3C(O)CH3
  714296.8109  0.2522 -6.1823 3 1288.0582E00  59516140487 484 2    87 385 2      C-13-H3C(O)CH3
  714296.8109  0.2522 -6.1823 3 1288.0582E00  59516140487 384 2    87 285 2      C-13-H3C(O)CH3
  714400.1529  0.2568 -6.1067 3 1313.6831A96  595161404684821 0    674918 0      C-13-H3C(O)CH3
  714400.4171  0.2568 -6.1067 3 1313.6831A96  595161404684820 0    674919 0      C-13-H3C(O)CH3
  714415.7055  0.2250 -6.1068 3 1313.7309A96  595161404684820 2    674918 2      C-13-H3C(O)CH3
  714518.3353  0.0093 -4.8027 3  170.4966236  59516140429 822 4    28 523 4      C-13-H3C(O)CH3
  714518.3353  0.0093 -4.8027 3  170.4966236  59516140429 722 4    28 623 4      C-13-H3C(O)CH3
  714518.5706  0.0077 -5.2435 3  170.4966236  59516140429 722 3    28 523 3      C-13-H3C(O)CH3
  714518.5706  0.0077 -4.9979 3  170.4966236  59516140429 722 3    28 623 3      C-13-H3C(O)CH3
  714518.5706  0.0077 -5.2443 3  170.4966236  59516140429 822 3    28 623 3      C-13-H3C(O)CH3
  714518.5706  0.0077 -4.9975 3  170.4966236  59516140429 822 3    28 523 3      C-13-H3C(O)CH3
  714580.2401  0.2550 -6.1065 3 1313.7285A96  595161404684820 1    674918 1      C-13-H3C(O)CH3
  714588.2646  0.0059 -3.1384 3  412.6485584 -5951614043635 1 0    3534 1 0      C-13-H3C(O)CH3
  714588.2646  0.0059 -3.1384 3  412.6485584 -5951614043635 2 0    3534 2 0      C-13-H3C(O)CH3
  714633.5553  0.0061 -3.1382 3  412.5809584 -5951614043635 2 2    3534 2 2      C-13-H3C(O)CH3
  714673.1297  0.2120 -6.1067 3 1313.6888A96  595161404684821 2    674919 2      C-13-H3C(O)CH3
  714727.2365  0.0064 -3.1381 3  412.5803584 -5951614043635 2 1    3534 2 1      C-13-H3C(O)CH3
  714757.9045  0.2251 -6.1065 3 1313.6843A96  595161404684821 1    674919 1      C-13-H3C(O)CH3
  714760.9606  0.1504 -5.9616 3 1288.0682E00  59516140487 484 0    87 285 0      C-13-H3C(O)CH3
  714760.9606  0.1504 -5.9616 3 1288.0682E00  59516140487 384 0    87 385 0      C-13-H3C(O)CH3
  714772.5490  0.0091 -3.4389 3  412.5128292  5951614043635 2 4    3534 2 4      C-13-H3C(O)CH3
  714799.7206  0.0065 -3.1381 3  412.6181584 -5951614043635 1 2    3534 1 2      C-13-H3C(O)CH3
  714810.6825  0.0068 -4.2834 3  276.9234268  595161404331716 3    321617 3      C-13-H3C(O)CH3
  714811.6042  0.0070 -4.2834 3  276.9234268  595161404331716 4    321617 4      C-13-H3C(O)CH3
  714829.4916  0.0061 -3.9825 3  276.9432536  595161404331716 2    321617 2      C-13-H3C(O)CH3
  714853.2366  0.3158 -5.6310 3  985.4300484  595161404603724 4    593821 4      C-13-H3C(O)CH3
  714858.5310  0.0064 -3.1380 3  412.6411584 -5951614043635 1 1    3534 1 1      C-13-H3C(O)CH3
  714885.8965  0.2129 -5.9879 3 1235.6617D84  59516140486 284 2    86 185 2      C-13-H3C(O)CH3
  714885.8965  0.2129 -5.9879 3 1235.6617D84  59516140486 384 2    86 285 2      C-13-H3C(O)CH3
  714888.6518  0.0060 -3.9825 3  276.9470536  595161404331716 1    321617 1      C-13-H3C(O)CH3
  714903.2546  0.0086 -3.4389 3  412.5735292  5951614043635 1 3    3534 1 3      C-13-H3C(O)CH3
  714907.4551  0.0055 -3.9826 3  276.9668536  595161404331716 0    321617 0      C-13-H3C(O)CH3
  714929.0979  0.0070 -5.7222 3  170.4799472  59516140429 722 2    28 623 2      C-13-H3C(O)CH3
  714929.0979  0.0070 -4.5276 3  170.4799472  59516140429 722 2    28 523 2      C-13-H3C(O)CH3
  714929.0979  0.0070 -5.7230 3  170.4799472  59516140429 822 2    28 523 2      C-13-H3C(O)CH3
  714929.0979  0.0070 -4.5276 3  170.4799472  59516140429 822 2    28 623 2      C-13-H3C(O)CH3
  714937.5605  0.0074 -6.1262 3  170.4806472  59516140429 722 1    28 523 1      C-13-H3C(O)CH3
  714937.5605  0.0074 -4.5113 3  170.4806472  59516140429 722 1    28 623 1      C-13-H3C(O)CH3
  714937.5605  0.0074 -6.1318 3  170.4806472  59516140429 822 1    28 623 1      C-13-H3C(O)CH3
  714937.5605  0.0074 -4.5111 3  170.4806472  59516140429 822 1    28 523 1      C-13-H3C(O)CH3
  714938.1486  0.0088 -3.4388 3  412.5500292  5951614043635 2 3    3534 2 3      C-13-H3C(O)CH3
  714966.4868  0.1122 -4.6023 3  674.8645404  595161404502921 3    493020 3      C-13-H3C(O)CH3
  714968.7269  0.0141 -3.9712 3  320.9495568  595161404352015 2    341916 2      C-13-H3C(O)CH3
  714997.4855  0.0132 -3.9853 3  794.4267952  595161404591842 0    581741 0      C-13-H3C(O)CH3
  714997.4855  0.0132 -4.5346 3  794.4267952  595161404591742 0    581741 0      C-13-H3C(O)CH3
  714997.4855  0.0132 -3.9853 3  794.4267952  595161404591742 0    581841 0      C-13-H3C(O)CH3
  714997.4855  0.0132 -4.5346 3  794.4267952  595161404591842 0    581841 0      C-13-H3C(O)CH3
  715012.8135  0.1101 -4.6026 3  674.8632404  595161404502921 4    493020 4      C-13-H3C(O)CH3
  715037.0911  0.0167 -4.6682 3  794.4153952  595161404591842 1    581741 1      C-13-H3C(O)CH3
  715037.0911  0.0167 -3.9540 3  794.4153952  595161404591842 1    581841 1      C-13-H3C(O)CH3
  715037.0911  0.0167 -3.9540 3  794.4153952  595161404591742 1    581741 1      C-13-H3C(O)CH3
  715037.0911  0.0167 -4.6682 3  794.4153952  595161404591742 1    581841 1      C-13-H3C(O)CH3
  715038.2617  0.0168 -3.9937 3  794.4151952  595161404591742 2    581841 2      C-13-H3C(O)CH3
  715038.2617  0.0168 -4.5059 3  794.4151952  595161404591842 2    581841 2      C-13-H3C(O)CH3
  715038.2617  0.0168 -3.9937 3  794.4151952  595161404591842 2    581741 2      C-13-H3C(O)CH3
  715038.2617  0.0168 -4.5059 3  794.4151952  595161404591742 2    581741 2      C-13-H3C(O)CH3
  715052.2385  0.0101 -4.1204 3  876.6246596 -59516140474 174 4    73 073 4      C-13-H3C(O)CH3
  715052.2385  0.0101 -4.0639 3  876.6246596 -59516140474 074 3    73 073 3      C-13-H3C(O)CH3
  715052.2385  0.0101 -4.9762 3  876.6246596 -59516140474 074 4    73 073 4      C-13-H3C(O)CH3
  715052.3011  0.0101 -4.1204 3  876.6246596  59516140474 074 4    73 173 4      C-13-H3C(O)CH3
  715052.3011  0.0101 -4.9762 3  876.6246596  59516140474 174 4    73 173 4      C-13-H3C(O)CH3
  715052.3192  0.0101 -4.0639 3  876.6246596  59516140474 174 3    73 173 3      C-13-H3C(O)CH3
  715055.2912  0.0162 -3.8276 3  876.5616B92 -59516140474 174 1    73 073 1      C-13-H3C(O)CH3
  715055.2912  0.0178 -3.9185 3  876.5614B92 -59516140474 074 2    73 173 2      C-13-H3C(O)CH3
  715055.2912  0.0162 -4.6196 3  876.5616B92 -59516140474 174 1    73 173 1      C-13-H3C(O)CH3
  715055.2912  0.0178 -3.9185 3  876.5614B92 -59516140474 174 2    73 073 2      C-13-H3C(O)CH3
  715055.2912  0.0178 -4.2830 3  876.5614B92 -59516140474 074 2    73 073 2      C-13-H3C(O)CH3
  715055.2912  0.0162 -4.6196 3  876.5616B92 -59516140474 074 1    73 073 1      C-13-H3C(O)CH3
  715055.2912  0.0162 -3.8276 3  876.5616B92 -59516140474 074 1    73 173 1      C-13-H3C(O)CH3
  715055.2912  0.0178 -4.2830 3  876.5614B92 -59516140474 174 2    73 173 2      C-13-H3C(O)CH3
  715058.3300  0.0119 -3.7853 3  876.4984B92  59516140474 174 0    73 073 0      C-13-H3C(O)CH3
  715058.3435  0.0119 -5.0518 3  876.4984B92 -59516140474 074 0    73 073 0      C-13-H3C(O)CH3
  715058.3435  0.0119 -3.7853 3  876.4984B92 -59516140474 074 0    73 173 0      C-13-H3C(O)CH3
  715058.3435  0.0119 -5.0518 3  876.4984B92 -59516140474 174 0    73 173 0      C-13-H3C(O)CH3
  715060.3430  0.0176 -4.2720 3  320.9282284  595161404352015 3    341916 3      C-13-H3C(O)CH3
  715068.7911  0.0158 -4.2720 3  320.9282284  595161404352015 4    341916 4      C-13-H3C(O)CH3
  715069.4506  0.0091 -3.4387 3  412.6107292  5951614043635 1 4    3534 1 4      C-13-H3C(O)CH3
  715077.9148  0.0184 -4.2972 3  794.4037476  595161404591842 3    581841 3      C-13-H3C(O)CH3
  715077.9148  0.0184 -4.7991 3  794.4037476  595161404591842 3    581741 3      C-13-H3C(O)CH3
  715077.9148  0.0184 -4.7991 3  794.4037476  595161404591742 3    581841 3      C-13-H3C(O)CH3
  715077.9148  0.0184 -4.2972 3  794.4037476  595161404591742 3    581741 3      C-13-H3C(O)CH3
  715077.9800  0.0184 -5.8547 3  794.4037476  595161404591842 4    581741 4      C-13-H3C(O)CH3
  715077.9800  0.0184 -4.1876 3  794.4037476  595161404591842 4    581841 4      C-13-H3C(O)CH3
  715077.9800  0.0184 -4.1876 3  794.4037476  595161404591742 4    581741 4      C-13-H3C(O)CH3
  715077.9800  0.0184 -5.8547 3  794.4037476  595161404591742 4    581841 4      C-13-H3C(O)CH3
  715135.0335  0.0106 -3.9715 3  320.9765568  595161404352015 0    341916 0      C-13-H3C(O)CH3
  715204.1519  0.0121 -5.4827 3  858.8973A80 -59516140467 959 0    66 858 0      C-13-H3C(O)CH3
  715204.1519  0.0121 -5.4827 3  858.8973A80 -59516140467 859 0    66 958 0      C-13-H3C(O)CH3
  715204.2141  0.0121 -3.8479 3  858.8973A80  59516140467 959 0    66 958 0      C-13-H3C(O)CH3
  715204.2141  0.0121 -3.8479 3  858.8973A80  59516140467 859 0    66 858 0      C-13-H3C(O)CH3
  715209.3542  0.0239 -3.8408 3  858.8665A80 -59516140467 859 1    66 858 1      C-13-H3C(O)CH3
  715209.3542  0.0236 -3.8738 3  858.8663A80 -59516140467 859 2    66 958 2      C-13-H3C(O)CH3
  715209.3542  0.0236 -4.9382 3  858.8663A80 -59516140467 959 2    66 958 2      C-13-H3C(O)CH3
  715209.3542  0.0239 -6.0023 3  858.8665A80 -59516140467 959 1    66 858 1      C-13-H3C(O)CH3
  715209.3542  0.0236 -4.9382 3  858.8663A80 -59516140467 859 2    66 858 2      C-13-H3C(O)CH3
  715209.3542  0.0239 -3.8408 3  858.8665A80 -59516140467 959 1    66 958 1      C-13-H3C(O)CH3
  715209.3542  0.0236 -3.8738 3  858.8663A80 -59516140467 959 2    66 858 2      C-13-H3C(O)CH3
  715209.3542  0.0239 -6.0023 3  858.8665A80 -59516140467 859 1    66 958 1      C-13-H3C(O)CH3
  715214.7321  0.0136 -4.3476 3  858.8355540  59516140467 859 4    66 958 4      C-13-H3C(O)CH3
  715214.7321  0.0136 -4.5571 3  858.8355540  59516140467 959 4    66 958 4      C-13-H3C(O)CH3
  715214.7321  0.0136 -4.5571 3  858.8355540  59516140467 859 4    66 858 4      C-13-H3C(O)CH3
  715214.7321  0.0136 -4.3476 3  858.8355540  59516140467 959 4    66 858 4      C-13-H3C(O)CH3
  715214.7571  0.0135 -5.4933 3  858.8355540  59516140467 859 3    66 858 3      C-13-H3C(O)CH3
  715214.7571  0.0135 -4.1585 3  858.8355540  59516140467 959 3    66 858 3      C-13-H3C(O)CH3
  715214.7571  0.0135 -4.1585 3  858.8355540  59516140467 859 3    66 958 3      C-13-H3C(O)CH3
  715214.7571  0.0135 -5.4933 3  858.8355540  59516140467 959 3    66 958 3      C-13-H3C(O)CH3
  715222.3629  0.1770 -5.5788 3  985.4191484  595161404603724 3    593821 3      C-13-H3C(O)CH3
  715226.9095  0.0131 -3.9713 3  320.9551568  595161404352015 1    341916 1      C-13-H3C(O)CH3
  715347.2409  0.0067 -4.7276 3  170.4640472  59516140429 822 0    28 623 0      C-13-H3C(O)CH3
  715347.2409  0.0067 -4.8896 3  170.4640472  59516140429 822 0    28 523 0      C-13-H3C(O)CH3
  715347.2409  0.0067 -4.7293 3  170.4640472  59516140429 722 0    28 523 0      C-13-H3C(O)CH3
  715347.2409  0.0067 -4.8871 3  170.4640472  59516140429 722 0    28 623 0      C-13-H3C(O)CH3
  715445.9291  0.1203 -4.2989 3  674.8682808  595161404502921 2    493020 2      C-13-H3C(O)CH3
  715450.3185  0.0066 -4.2829 3  276.9226268  595161404331816 4    321517 4      C-13-H3C(O)CH3
  715450.5967  0.0062 -4.2829 3  276.9226268  595161404331816 3    321517 3      C-13-H3C(O)CH3
  715475.1641  0.0058 -3.9821 3  276.9424536  595161404331816 2    321517 2      C-13-H3C(O)CH3
  715479.1887  0.2302 -5.2944 3  985.3925968  595161404603724 2    593821 2      C-13-H3C(O)CH3
  715499.2660  0.4956 -6.2303 3 1183.8394D68  59516140485 184 2    85 185 2      C-13-H3C(O)CH3
  715499.2660  0.4956 -6.2303 3 1183.8394D68  59516140485 284 2    85 085 2      C-13-H3C(O)CH3
  715509.5428  0.4722 -6.2110 3 1183.8396D68  59516140485 284 1    85 085 1      C-13-H3C(O)CH3
  715515.9176  0.0057 -3.9820 3  276.9463536  595161404331816 1    321517 1      C-13-H3C(O)CH3
  715519.3858  0.1494 -5.2924 3  985.3912968  595161404603724 1    593821 1      C-13-H3C(O)CH3
  715540.5681  0.0055 -3.9821 3  276.9660536  595161404331816 0    321517 0      C-13-H3C(O)CH3
  715543.3855  0.3221 -5.4375 3  921.9659468  595161404583622 3    573721 3      C-13-H3C(O)CH3
  715553.4053  0.0128 -5.2688 3  139.9842228  59516140428 524 3    27 325 3      C-13-H3C(O)CH3
  715553.4053  0.0128 -5.2688 3  139.9842228  59516140428 424 3    27 225 3      C-13-H3C(O)CH3
  715553.6503  0.0147 -5.3166 3  139.9843228  59516140428 524 4    27 325 4      C-13-H3C(O)CH3
  715553.6503  0.0147 -6.2344 3  139.9843228  59516140428 524 4    27 225 4      C-13-H3C(O)CH3
  715553.6503  0.0147 -5.3166 3  139.9843228  59516140428 424 4    27 225 4      C-13-H3C(O)CH3
  715553.6503  0.0147 -6.2344 3  139.9843228  59516140428 424 4    27 325 4      C-13-H3C(O)CH3
  715608.4216  0.2146 -6.1623 3 1224.2279532  595161404664521 4    654619 4      C-13-H3C(O)CH3
  715632.1846  0.2397 -5.8615 3 1224.1758A64  595161404664521 2    654619 2      C-13-H3C(O)CH3
  715633.4182  0.0688 -4.2978 3  674.8698808  595161404502921 1    493020 1      C-13-H3C(O)CH3
  715634.9077  0.0188 -5.8710 3  177.7852204  5951614042522 3 4    2419 5 4      C-13-H3C(O)CH3
  715706.8660  0.1483 -5.9868 3 1235.6435D84  59516140486 284 0    86 185 0      C-13-H3C(O)CH3
  715706.8660  0.1483 -5.9868 3 1235.6435D84  59516140486 384 0    86 285 0      C-13-H3C(O)CH3
  715722.8080  0.0153 -5.8668 3  177.7404204  5951614042522 4 3    2419 5 3      C-13-H3C(O)CH3
  715767.4679  0.2703 -5.8612 3 1224.1754A64  595161404664521 1    654619 1      C-13-H3C(O)CH3
  715784.5368  0.2795 -5.8614 3 1224.1233A64  595161404664522 0    654619 0      C-13-H3C(O)CH3
  715799.0816  0.2797 -5.8614 3 1224.1233A64  595161404664521 0    654620 0      C-13-H3C(O)CH3
  715827.0931  0.2390 -5.9580 3 1100.7907508  595161404634123 4    624221 4      C-13-H3C(O)CH3
  715866.2284  0.1611 -4.7511 3  704.2263412  595161404513021 3    503120 3      C-13-H3C(O)CH3
  715906.1497  0.2909 -5.9586 3 1100.7955508  595161404634123 3    624220 3      C-13-H3C(O)CH3
  715908.2500  0.0390 -4.2939 3  438.1224324  595161404402714 4    392613 4      C-13-H3C(O)CH3
  715945.9218  0.1547 -4.7521 3  704.2240412  595161404513021 4    503120 4      C-13-H3C(O)CH3
  715949.7085  0.3945 -5.9061 3 1100.7520A16  595161404634123 2    624220 2      C-13-H3C(O)CH3
  715968.0582  0.1918 -6.1658 3 1224.2022532  595161404664521 3    654619 3      C-13-H3C(O)CH3
  715970.7750  0.1191 -5.2794 3  985.3590968  595161404603724 0    593821 0      C-13-H3C(O)CH3
  715974.6403  0.2097 -6.1657 3 1224.1993532  595161404664522 3    654620 3      C-13-H3C(O)CH3
  715991.8990  0.2303 -5.8614 3 1224.1501A64  595161404664522 2    654620 2      C-13-H3C(O)CH3
  715995.6530  0.0131 -4.4844 3  806.4297968  595161404601744 0    591643 0      C-13-H3C(O)CH3
  715995.6530  0.0131 -4.4844 3  806.4297968  595161404601644 0    591743 0      C-13-H3C(O)CH3
  715995.6530  0.0131 -4.0000 3  806.4297968  595161404601644 0    591643 0      C-13-H3C(O)CH3
  715995.6530  0.0131 -4.0000 3  806.4297968  595161404601744 0    591743 0      C-13-H3C(O)CH3
  716033.3857  0.0173 -6.1755 3  806.4168968  595161404601644 1    591743 1      C-13-H3C(O)CH3
  716033.3857  0.0173 -3.8790 3  806.4168968  595161404601644 1    591643 1      C-13-H3C(O)CH3
  716033.3857  0.0173 -3.8790 3  806.4168968  595161404601744 1    591743 1      C-13-H3C(O)CH3
  716033.3857  0.0173 -6.1755 3  806.4168968  595161404601744 1    591643 1      C-13-H3C(O)CH3
  716034.3024  0.0173 -3.8831 3  806.4166968  595161404601644 2    591643 2      C-13-H3C(O)CH3
  716034.3024  0.0173 -4.2181 3  806.4166968  595161404601644 2    591743 2      C-13-H3C(O)CH3
  716034.3024  0.0173 -4.1410 3  806.4166968  595161404601744 2    591743 2      C-13-H3C(O)CH3
  716034.3024  0.0173 -5.7185 3  806.4166968  595161404601744 2    591643 2      C-13-H3C(O)CH3
  716072.0798  0.0185 -4.1780 3  806.4037484  595161404601644 3    591643 3      C-13-H3C(O)CH3
  716072.0798  0.0185 -4.1780 3  806.4037484  595161404601744 3    591743 3      C-13-H3C(O)CH3
  716072.1388  0.0185 -4.7813 3  806.4036484  595161404601644 4    591643 4      C-13-H3C(O)CH3
  716072.1388  0.0185 -4.3023 3  806.4036484  595161404601744 4    591643 4      C-13-H3C(O)CH3
  716072.1388  0.0185 -4.7813 3  806.4036484  595161404601744 4    591743 4      C-13-H3C(O)CH3
  716072.1388  0.0185 -4.3023 3  806.4036484  595161404601644 4    591743 4      C-13-H3C(O)CH3
  716073.4715  0.3145 -5.7895 3 1100.7499A16  595161404634123 1    624220 1      C-13-H3C(O)CH3
  716086.2850  0.0805 -4.2952 3  674.8741808  595161404502921 0    493020 0      C-13-H3C(O)CH3
  716089.1202  0.0158 -5.8685 3  177.7338204  5951614042522 3 3    2419 6 3      C-13-H3C(O)CH3
  716092.8126  0.2064 -5.7905 3 1100.7472A16  595161404634123 2    624221 2      C-13-H3C(O)CH3
  716107.2213  0.2361 -5.5363 3  921.9494468  595161404583622 4    573721 4      C-13-H3C(O)CH3
  716135.2218  0.2641 -5.8611 3 1224.1469A64  595161404664522 1    654620 1      C-13-H3C(O)CH3
  716152.0274  0.2202 -5.9070 3 1100.7473A16  595161404634123 1    624221 1      C-13-H3C(O)CH3
  716163.9212  0.0149 -5.0433 3  139.9397456  59516140428 424 2    27 325 2      C-13-H3C(O)CH3
  716163.9212  0.0149 -5.0433 3  139.9397456  59516140428 524 2    27 225 2      C-13-H3C(O)CH3
  716163.9212  0.0149 -5.7460 3  139.9397456  59516140428 524 2    27 325 2      C-13-H3C(O)CH3
  716163.9212  0.0149 -5.7460 3  139.9397456  59516140428 424 2    27 225 2      C-13-H3C(O)CH3
  716167.7752  0.0156 -5.8190 3  139.9402456  59516140428 424 1    27 225 1      C-13-H3C(O)CH3
  716167.7752  0.0156 -5.8190 3  139.9402456  59516140428 524 1    27 325 1      C-13-H3C(O)CH3
  716167.7752  0.0156 -5.0304 3  139.9402456  59516140428 524 1    27 225 1      C-13-H3C(O)CH3
  716167.7752  0.0156 -5.0304 3  139.9402456  59516140428 424 1    27 325 1      C-13-H3C(O)CH3
  716177.0591  0.0159 -5.8641 3  177.6891204  5951614042522 4 4    2419 6 4      C-13-H3C(O)CH3
  716224.7611  0.0149 -5.5697 3  177.7840408  5951614042522 3 1    2419 5 1      C-13-H3C(O)CH3
  716249.0698  0.0286 -3.8148 3  438.1356648  595161404402714 2    392613 2      C-13-H3C(O)CH3
  716275.7706  0.0077 -6.0901 3  454.4585664  595161404412615 2    402515 2      C-13-H3C(O)CH3
  716290.5372  0.2273 -5.5435 3 1100.7050A16  595161404634123 0    624220 0      C-13-H3C(O)CH3
  716335.5828  0.2075 -6.1620 3 1224.1737532  595161404664522 4    654620 4      C-13-H3C(O)CH3
  716352.1462  0.0085 -6.0374 3  454.4403332  595161404412615 4    402515 4      C-13-H3C(O)CH3
  716353.6587  0.0125 -5.0891 3  865.9023548  59516140468 761 4    67 860 4      C-13-H3C(O)CH3
  716353.6587  0.0125 -4.1869 3  865.9023548  59516140468 761 4    67 760 4      C-13-H3C(O)CH3
  716353.6587  0.0125 -5.0891 3  865.9023548  59516140468 861 4    67 760 4      C-13-H3C(O)CH3
  716353.6587  0.0125 -4.1869 3  865.9023548  59516140468 861 4    67 860 4      C-13-H3C(O)CH3
  716353.6948  0.0125 -4.1989 3  865.9024548  59516140468 861 3    67 860 3      C-13-H3C(O)CH3
  716353.6948  0.0125 -4.1989 3  865.9024548  59516140468 761 3    67 760 3      C-13-H3C(O)CH3
  716353.6948  0.0125 -5.0034 3  865.9024548  59516140468 861 3    67 760 3      C-13-H3C(O)CH3
  716353.6948  0.0125 -5.0034 3  865.9024548  59516140468 761 3    67 860 3      C-13-H3C(O)CH3
  716354.8288  0.0229 -3.9650 3  865.9342A96  59516140468 761 1    67 860 1      C-13-H3C(O)CH3
  716354.8288  0.0229 -4.0930 3  865.9342A96  59516140468 761 1    67 760 1      C-13-H3C(O)CH3
  716354.8288  0.0229 -4.4209 3  865.9342A96  59516140468 861 1    67 860 1      C-13-H3C(O)CH3
  716354.8288  0.0229 -4.1831 3  865.9342A96  59516140468 861 1    67 760 1      C-13-H3C(O)CH3
  716355.1230  0.0226 -3.9901 3  865.9340A96  59516140468 761 2    67 760 2      C-13-H3C(O)CH3
  716355.1230  0.0226 -3.9901 3  865.9340A96  59516140468 861 2    67 860 2      C-13-H3C(O)CH3
  716355.1230  0.0226 -4.3565 3  865.9340A96  59516140468 761 2    67 860 2      C-13-H3C(O)CH3
  716355.1230  0.0226 -4.3565 3  865.9340A96  59516140468 861 2    67 760 2      C-13-H3C(O)CH3
  716356.2663  0.0118 -4.2995 3  865.9657A96  59516140468 761 0    67 860 0      C-13-H3C(O)CH3
  716356.2663  0.0118 -4.0172 3  865.9657A96  59516140468 861 0    67 860 0      C-13-H3C(O)CH3
  716356.2663  0.0118 -4.0172 3  865.9657A96  59516140468 761 0    67 760 0      C-13-H3C(O)CH3
  716356.2663  0.0118 -4.2995 3  865.9657A96  59516140468 861 0    67 760 0      C-13-H3C(O)CH3
  716406.0769  0.0044 -3.2015 3  416.2277600 -5951614043733 5 0    3632 4 0      C-13-H3C(O)CH3
  716406.0769  0.0044 -3.2015 3  416.2277600 -5951614043733 4 0    3632 5 0      C-13-H3C(O)CH3
  716433.0431  0.0046 -3.2015 3  416.1846600 -5951614043733 5 2    3632 5 2      C-13-H3C(O)CH3
  716464.8783  0.0127 -3.6399 3  438.1263648 -595161404402714 1    392613 1      C-13-H3C(O)CH3
  716479.3092  0.0140 -5.5724 3  177.7925408  5951614042522 3 2    2419 5 2      C-13-H3C(O)CH3
  716482.0211  0.0047 -3.2013 3  416.1697600 -5951614043733 5 1    3632 5 1      C-13-H3C(O)CH3
  716509.6951  0.0066 -3.5024 3  416.1266300  5951614043733 5 4    3632 5 4      C-13-H3C(O)CH3
  716535.0111  0.2788 -5.1727 3  921.9307936  595161404583622 2    573721 2      C-13-H3C(O)CH3
  716535.0637  0.0051 -3.5465 3  438.1430648 -595161404402714 0    392613 0      C-13-H3C(O)CH3
  716549.3939  0.1696 -4.4474 3  704.2252824  595161404513021 2    503120 2      C-13-H3C(O)CH3
  716551.0634  0.0047 -3.2013 3  416.2026600 -5951614043733 4 2    3632 4 2      C-13-H3C(O)CH3
  716563.0777  0.0146 -5.5681 3  177.7478408  5951614042522 4 2    2419 6 2      C-13-H3C(O)CH3
  716579.5985  0.2072 -5.1646 3  921.9294936  595161404583622 1    573721 1      C-13-H3C(O)CH3
  716623.5939  0.0048 -3.2011 3  416.2080600 -5951614043733 4 1    3632 4 1      C-13-H3C(O)CH3
  716627.0200  0.0067 -3.5022 3  416.1447300  5951614043733 5 3    3632 5 3      C-13-H3C(O)CH3
  716627.5323  0.0224 -3.9333 3  438.1141324  595161404402714 3    392613 3      C-13-H3C(O)CH3
  716650.6535  0.0066 -3.5022 3  416.1650300  5951614043733 4 3    3632 4 3      C-13-H3C(O)CH3
  716666.1743  0.0167 -5.3973 3  212.0847228  5951614042821 8 4    271810 4      C-13-H3C(O)CH3
  716674.7883  0.0145 -5.5671 3  177.7327408  5951614042522 4 1    2419 6 1      C-13-H3C(O)CH3
  716767.8573  0.0069 -3.5020 3  416.1829300  5951614043733 4 4    3632 4 4      C-13-H3C(O)CH3
  716776.9120  0.0141 -5.5914 3  139.8957456  59516140428 524 0    27 325 0      C-13-H3C(O)CH3
  716776.9120  0.0141 -5.0804 3  139.8957456  59516140428 424 0    27 325 0      C-13-H3C(O)CH3
  716776.9120  0.0141 -5.5914 3  139.8957456  59516140428 424 0    27 225 0      C-13-H3C(O)CH3
  716776.9120  0.0141 -5.0804 3  139.8957456  59516140428 524 0    27 225 0      C-13-H3C(O)CH3
  716779.2292  0.0982 -4.4462 3  704.2257824  595161404513021 1    503120 1      C-13-H3C(O)CH3
  716780.9045  0.2025 -5.7158 3 1077.0941A16  595161404633727 0    623824 0      C-13-H3C(O)CH3
  716988.4430  0.0054 -3.6406 3  433.9672648 -595161404402614 0    392515 0      C-13-H3C(O)CH3
  717015.1723  0.0066 -4.2686 3  300.7670276  595161404342015 4    331716 4      C-13-H3C(O)CH3
  717015.9186  0.0065 -3.9679 3  300.7874552  595161404342015 2    331716 2      C-13-H3C(O)CH3
  717016.7490  0.0065 -3.9679 3  300.8136552  595161404342015 0    331716 0      C-13-H3C(O)CH3
  717017.7855  0.0064 -4.2686 3  300.7669276  595161404342015 3    331716 3      C-13-H3C(O)CH3
  717018.4391  0.0064 -3.9676 3  300.7932552  595161404342015 1    331716 1      C-13-H3C(O)CH3
  717024.0024  0.0128 -3.8967 3  817.8790984  595161404611646 0    601645 0      C-13-H3C(O)CH3
  717024.0024  0.0128 -5.2193 3  817.8790984  595161404611546 0    601645 0      C-13-H3C(O)CH3
  717024.0024  0.0128 -3.8967 3  817.8790984  595161404611546 0    601545 0      C-13-H3C(O)CH3
  717024.0024  0.0128 -5.2193 3  817.8790984  595161404611646 0    601545 0      C-13-H3C(O)CH3
  717059.5725  0.0181 -3.8899 3  817.8643984  595161404611546 1    601545 1      C-13-H3C(O)CH3
  717059.5725  0.0181 -5.3932 3  817.8643984  595161404611546 1    601645 1      C-13-H3C(O)CH3
  717059.5725  0.0181 -3.8899 3  817.8643984  595161404611646 1    601645 1      C-13-H3C(O)CH3
  717059.5725  0.0181 -5.3932 3  817.8643984  595161404611646 1    601545 1      C-13-H3C(O)CH3
  717060.2843  0.0180 -4.1865 3  817.8641984  595161404611546 2    601545 2      C-13-H3C(O)CH3
  717060.2843  0.0180 -4.1687 3  817.8641984  595161404611546 2    601645 2      C-13-H3C(O)CH3
  717060.2843  0.0180 -4.1687 3  817.8641984  595161404611646 2    601545 2      C-13-H3C(O)CH3
  717060.2843  0.0180 -4.1865 3  817.8641984  595161404611646 2    601645 2      C-13-H3C(O)CH3
  717065.4687  0.0156 -5.5720 3  177.7912408  5951614042522 4 0    2419 5 0      C-13-H3C(O)CH3
  717067.7325  0.0061 -3.6431 3  433.9487648 -595161404402614 1    392515 1      C-13-H3C(O)CH3
  717070.0277  0.0156 -5.5720 3  177.7911408  5951614042522 3 0    2419 6 0      C-13-H3C(O)CH3
  717074.0181  0.2385 -5.9569 3 1100.7926508  595161404634122 3    624221 3      C-13-H3C(O)CH3
  717095.8958  0.0184 -4.4093 3  817.8493492  595161404611646 3    601545 3      C-13-H3C(O)CH3
  717095.8958  0.0184 -4.5609 3  817.8493492  595161404611646 3    601645 3      C-13-H3C(O)CH3
  717095.8958  0.0184 -4.4093 3  817.8493492  595161404611546 3    601645 3      C-13-H3C(O)CH3
  717095.8958  0.0184 -4.5609 3  817.8493492  595161404611546 3    601545 3      C-13-H3C(O)CH3
  717095.9479  0.0184 -4.8009 3  817.8493492  595161404611546 4    601545 4      C-13-H3C(O)CH3
  717095.9479  0.0184 -4.2955 3  817.8493492  595161404611546 4    601645 4      C-13-H3C(O)CH3
  717095.9479  0.0184 -4.8009 3  817.8493492  595161404611646 4    601645 4      C-13-H3C(O)CH3
  717095.9479  0.0184 -4.2955 3  817.8493492  595161404611646 4    601545 4      C-13-H3C(O)CH3
  717128.2301  0.0076 -3.9435 3  433.9310324  595161404402614 3    392515 3      C-13-H3C(O)CH3
  717138.9563  0.0087 -3.6509 3  433.9488648  595161404402614 2    392515 2      C-13-H3C(O)CH3
  717153.7996  0.2291 -5.9568 3 1100.7975508  595161404634122 4    624220 4      C-13-H3C(O)CH3
  717172.4410  0.2453 -5.7894 3 1100.7520A16  595161404634122 2    624220 2      C-13-H3C(O)CH3
  717174.3042  0.0117 -5.1397 3  212.1021456  5951614042821 8 1    271810 1      C-13-H3C(O)CH3
  717179.3769  0.2521 -5.7099 3 1077.0923A16  595161404633727 2    623824 2      C-13-H3C(O)CH3
  717205.2314  0.1881 -5.7089 3 1077.0895A16  595161404633727 1    623824 1      C-13-H3C(O)CH3
  717208.3315  0.0169 -5.5088 3  212.0891228  5951614042821 8 3    271810 3      C-13-H3C(O)CH3
  717262.3301  0.2247 -5.1347 3  921.9039936  595161404583622 0    573721 0      C-13-H3C(O)CH3
  717304.7528  0.0131 -3.9648 3  433.9293324  595161404402614 4    392515 4      C-13-H3C(O)CH3
  717306.0954  0.2530 -5.9058 3 1100.7499A16  595161404634122 1    624220 1      C-13-H3C(O)CH3
  717315.5451  0.2503 -5.9039 3 1100.7472A16  595161404634122 2    624221 2      C-13-H3C(O)CH3
  717384.6514  0.2718 -5.7876 3 1100.7473A16  595161404634122 1    624221 1      C-13-H3C(O)CH3
  717420.8977  0.1126 -4.4430 3  704.2259824  595161404513021 0    503120 0      C-13-H3C(O)CH3
  717455.3001  0.2348 -5.5418 3 1100.7035A16  595161404634122 0    624221 0      C-13-H3C(O)CH3
  717485.7345  0.0075 -4.2595 3  438.1263648 -595161404402713 1    392613 1      C-13-H3C(O)CH3
  717502.1999  0.0112 -4.1322 3  872.4339556  59516140469 763 4    68 662 4      C-13-H3C(O)CH3
  717502.1999  0.0112 -4.1322 3  872.4339556  59516140469 663 4    68 762 4      C-13-H3C(O)CH3
  717502.2443  0.0112 -4.1604 3  872.4339556  59516140469 763 3    68 662 3      C-13-H3C(O)CH3
  717502.2443  0.0112 -5.3301 3  872.4339556  59516140469 763 3    68 762 3      C-13-H3C(O)CH3
  717502.2443  0.0112 -5.3301 3  872.4339556  59516140469 663 3    68 662 3      C-13-H3C(O)CH3
  717502.2443  0.0112 -4.1604 3  872.4339556  59516140469 663 3    68 762 3      C-13-H3C(O)CH3
  717504.1252  0.0181 -5.5323 3  212.0891228  5951614042821 7 3    271810 3      C-13-H3C(O)CH3
  717510.2184  0.0205 -3.9073 3  872.4652B12  59516140469 763 1    68 662 1      C-13-H3C(O)CH3
  717510.2184  0.0205 -4.6239 3  872.4652B12  59516140469 763 1    68 762 1      C-13-H3C(O)CH3
  717510.2184  0.0205 -3.9073 3  872.4652B12  59516140469 663 1    68 762 1      C-13-H3C(O)CH3
  717510.2184  0.0205 -4.6239 3  872.4652B12  59516140469 663 1    68 662 1      C-13-H3C(O)CH3
  717510.5061  0.0202 -3.8320 3  872.4650B12  59516140469 663 2    68 662 2      C-13-H3C(O)CH3
  717510.5061  0.0202 -3.8320 3  872.4650B12  59516140469 763 2    68 762 2      C-13-H3C(O)CH3
  717518.1792  0.0109 -3.8695 3  872.4963B12 -59516140469 763 0    68 762 0      C-13-H3C(O)CH3
  717518.1792  0.0109 -3.8695 3  872.4963B12 -59516140469 663 0    68 662 0      C-13-H3C(O)CH3
  717518.1792  0.0109 -4.9029 3  872.4963B12 -59516140469 763 0    68 662 0      C-13-H3C(O)CH3
  717518.1792  0.0109 -4.9029 3  872.4963B12 -59516140469 663 0    68 762 0      C-13-H3C(O)CH3
  717544.3820  0.0251 -3.9275 3  521.7233712  595161404442718 0    432617 0      C-13-H3C(O)CH3
  717577.4727  0.2312 -6.0044 3 1077.0887508  595161404633727 4    623824 4      C-13-H3C(O)CH3
  717589.0036  0.0138 -5.1838 3  212.1048456  5951614042821 8 2    271810 2      C-13-H3C(O)CH3
  717589.1523  0.0090 -4.5907 3  438.1141324  595161404402713 3    392613 3      C-13-H3C(O)CH3
  717610.6068  0.2487 -6.0039 3 1077.0876508  595161404633727 3    623824 3      C-13-H3C(O)CH3
  717631.8437  0.0098 -3.8814 3  438.1356648 -595161404402713 2    392613 2      C-13-H3C(O)CH3
  717793.1061  0.0223 -3.9268 3  521.7014712 -595161404442718 1    432617 1      C-13-H3C(O)CH3
  717809.7607  0.0106 -4.0386 3  438.1224324  595161404402713 4    392613 4      C-13-H3C(O)CH3
  717939.3999  0.0040 -3.2797 3  421.4944616 -5951614043831 8 0    3730 7 0      C-13-H3C(O)CH3
  717939.3999  0.0040 -3.2797 3  421.4944616 -5951614043831 7 0    3730 8 0      C-13-H3C(O)CH3
  717978.5069  0.0046 -3.2797 3  421.4506616 -5951614043831 8 1    3730 8 1      C-13-H3C(O)CH3
  717981.0127  0.0045 -3.2798 3  421.4694616 -5951614043831 8 2    3730 8 2      C-13-H3C(O)CH3
  718020.9625  0.0060 -3.5808 3  421.4254308  5951614043831 8 4    3730 8 4      C-13-H3C(O)CH3
  718053.6783  0.0045 -3.2797 3  421.4831616 -5951614043831 7 2    3730 7 2      C-13-H3C(O)CH3
  718076.8481  0.0125 -3.9586 3  828.7782A00  595161404621548 0    611547 0      C-13-H3C(O)CH3
  718076.8481  0.0125 -4.6388 3  828.7782A00  595161404621548 0    611447 0      C-13-H3C(O)CH3
  718076.8481  0.0125 -4.6388 3  828.7782A00  595161404621448 0    611547 0      C-13-H3C(O)CH3
  718076.8481  0.0125 -3.9586 3  828.7782A00  595161404621448 0    611447 0      C-13-H3C(O)CH3
  718093.5627  0.0060 -3.5808 3  421.4393308  5951614043831 8 3    3730 8 3      C-13-H3C(O)CH3
  718109.8916  0.0190 -4.1445 3  828.7614A00  595161404621548 1    611547 1      C-13-H3C(O)CH3
  718109.8916  0.0190 -4.2126 3  828.7614A00  595161404621548 1    611447 1      C-13-H3C(O)CH3
  718109.8916  0.0190 -4.2126 3  828.7614A00  595161404621448 1    611547 1      C-13-H3C(O)CH3
  718109.8916  0.0190 -4.1445 3  828.7614A00  595161404621448 1    611447 1      C-13-H3C(O)CH3
  718109.9739  0.0045 -3.2795 3  421.4730616 -5951614043831 7 1    3730 7 1      C-13-H3C(O)CH3
  718110.4403  0.0189 -5.4218 3  828.7612A00  595161404621448 2    611547 2      C-13-H3C(O)CH3
  718110.4403  0.0189 -3.8887 3  828.7612A00  595161404621448 2    611447 2      C-13-H3C(O)CH3
  718110.4403  0.0189 -3.8841 3  828.7612A00  595161404621548 2    611547 2      C-13-H3C(O)CH3
  718110.4403  0.0189 -5.6177 3  828.7612A00  595161404621548 2    611447 2      C-13-H3C(O)CH3
  718141.8412  0.0134 -5.3179 3  212.1021456  5951614042821 7 1    271810 1      C-13-H3C(O)CH3
  718143.5220  0.0181 -4.1923 3  828.7444500  595161404621548 3    611447 3      C-13-H3C(O)CH3
  718143.5220  0.0181 -4.1923 3  828.7444500  595161404621448 3    611547 3      C-13-H3C(O)CH3
  718143.5220  0.0181 -5.6432 3  828.7444500  595161404621448 3    611447 3      C-13-H3C(O)CH3
  718143.5220  0.0181 -5.6432 3  828.7444500  595161404621548 3    611547 3      C-13-H3C(O)CH3
  718143.5663  0.0182 -4.7690 3  828.7444500  595161404621548 4    611547 4      C-13-H3C(O)CH3
  718143.5663  0.0182 -4.5075 3  828.7444500  595161404621548 4    611447 4      C-13-H3C(O)CH3
  718143.5663  0.0182 -4.3056 3  828.7444500  595161404621448 4    611547 4      C-13-H3C(O)CH3
  718143.5663  0.0182 -4.4508 3  828.7444500  595161404621448 4    611447 4      C-13-H3C(O)CH3
  718152.3641  0.0059 -3.5806 3  421.4479308  5951614043831 7 3    3730 7 3      C-13-H3C(O)CH3
  718152.9921  0.0383 -3.9259 3  521.6867712  595161404442718 2    432617 2      C-13-H3C(O)CH3
  718169.6367  0.0094 -4.9216 3  212.1198456  5951614042821 7 0    271810 0      C-13-H3C(O)CH3
  718218.3896  0.0082 -4.0375 3  438.0453324  595161404402714 4    392614 4      C-13-H3C(O)CH3
  718224.1916  0.0063 -3.5806 3  421.4617308  5951614043831 7 4    3730 7 4      C-13-H3C(O)CH3
  718262.0954  0.0148 -5.2635 3  212.1048456  5951614042821 7 2    271810 2      C-13-H3C(O)CH3
  718263.8186  0.0080 -3.8801 3  438.0684648  595161404402714 2    392614 2      C-13-H3C(O)CH3
  718275.2607  0.0064 -4.2585 3  438.0659648 -595161404402714 1    392614 1      C-13-H3C(O)CH3
  718280.7816  0.0090 -6.0355 3  138.7678392  595161404241311 2    231014 2      C-13-H3C(O)CH3
  718310.6981  0.0210 -5.6897 3  212.0847228  5951614042821 7 4    271810 4      C-13-H3C(O)CH3
  718378.1441  0.0362 -4.2266 3  521.6652356  595161404442718 4    432617 4      C-13-H3C(O)CH3
  718417.1215  0.0394 -4.2259 3  521.6648356  595161404442718 3    432617 3      C-13-H3C(O)CH3
  718437.6351  0.0080 -4.5891 3  438.0537324  595161404402714 3    392614 3      C-13-H3C(O)CH3
  718470.4306  0.0089 -6.0355 3  138.7699392  595161404241311 1    231014 1      C-13-H3C(O)CH3
  718569.2060  0.0087 -6.0341 3  138.7605392  595161404241311 0    231014 0      C-13-H3C(O)CH3
  718660.3577  0.0095 -4.1286 3  878.4316564  59516140470 665 4    69 564 4      C-13-H3C(O)CH3
  718660.3577  0.0095 -4.1286 3  878.4316564  59516140470 565 4    69 664 4      C-13-H3C(O)CH3
  718660.4049  0.0095 -4.3227 3  878.4316564  59516140470 565 3    69 564 3      C-13-H3C(O)CH3
  718660.4049  0.0095 -4.5692 3  878.4316564  59516140470 565 3    69 664 3      C-13-H3C(O)CH3
  718660.4049  0.0095 -4.5692 3  878.4316564  59516140470 665 3    69 564 3      C-13-H3C(O)CH3
  718660.4049  0.0095 -4.3227 3  878.4316564  59516140470 665 3    69 664 3      C-13-H3C(O)CH3
  718675.0921  0.0165 -4.1734 3  878.4604B28  59516140470 665 1    69 664 1      C-13-H3C(O)CH3
  718675.0921  0.0165 -4.0864 3  878.4604B28  59516140470 665 1    69 564 1      C-13-H3C(O)CH3
  718675.0921  0.0165 -4.0864 3  878.4604B28  59516140470 565 1    69 664 1      C-13-H3C(O)CH3
  718675.0921  0.0165 -4.1734 3  878.4604B28  59516140470 565 1    69 564 1      C-13-H3C(O)CH3
  718675.3430  0.0163 -3.8272 3  878.4602B28  59516140470 665 2    69 664 2      C-13-H3C(O)CH3
  718675.3430  0.0163 -3.8272 3  878.4602B28  59516140470 565 2    69 564 2      C-13-H3C(O)CH3
  718689.7777  0.0093 -3.8267 3  878.4890B28 -59516140470 565 0    69 564 0      C-13-H3C(O)CH3
  718690.0273  0.0093 -4.0827 3  878.4890B28  59516140470 665 0    69 664 0      C-13-H3C(O)CH3
  718690.0273  0.0093 -4.1780 3  878.4890B28  59516140470 565 0    69 664 0      C-13-H3C(O)CH3
  718824.4721  0.0043 -3.3834 3  428.6538632 -595161404392911 0    382810 0      C-13-H3C(O)CH3
  718831.0481  0.0043 -3.3834 3  428.6536632  595161404392910 0    382811 0      C-13-H3C(O)CH3
  718850.5913  0.0052 -3.3835 3  428.6222632 -595161404392911 1    382811 1      C-13-H3C(O)CH3
  718899.6766  0.0049 -3.3832 3  428.6342632 -595161404392911 2    382811 2      C-13-H3C(O)CH3
  718922.8011  0.0062 -3.6844 3  428.6024316  595161404392911 4    382811 4      C-13-H3C(O)CH3
  718947.9476  0.0044 -3.3835 3  428.6563632 -595161404392910 2    382810 2      C-13-H3C(O)CH3
  718965.6825  0.0043 -3.3834 3  428.6377632 -595161404392910 1    382810 1      C-13-H3C(O)CH3
  718971.6386  0.0058 -3.6848 3  428.6246316  595161404392910 3    382810 3      C-13-H3C(O)CH3
  719001.0881  0.0061 -4.4425 3  224.1239252  595161404311219 4    301120 4      C-13-H3C(O)CH3
  719001.1213  0.0061 -4.4425 3  224.1239252  595161404311319 4    301020 4      C-13-H3C(O)CH3
  719001.4398  0.0051 -4.4425 3  224.1238252  595161404311219 3    301120 3      C-13-H3C(O)CH3
  719001.4732  0.0051 -4.4425 3  224.1238252  595161404311319 3    301020 3      C-13-H3C(O)CH3
  719038.7105  0.0055 -3.6844 3  428.6180316  595161404392911 3    382811 3      C-13-H3C(O)CH3
  719086.9642  0.0053 -3.6845 3  428.6401316  595161404392910 4    382810 4      C-13-H3C(O)CH3
  719094.0570  0.0047 -3.5440 3  438.0850648  595161404402713 0    392614 0      C-13-H3C(O)CH3
  719150.1124  0.0123 -4.6690 3  839.1302A16  595161404631450 0    621449 0      C-13-H3C(O)CH3
  719150.1124  0.0123 -4.6690 3  839.1302A16  595161404631350 0    621349 0      C-13-H3C(O)CH3
  719150.1124  0.0123 -3.9520 3  839.1302A16  595161404631350 0    621449 0      C-13-H3C(O)CH3
  719150.1124  0.0123 -3.9520 3  839.1302A16  595161404631450 0    621349 0      C-13-H3C(O)CH3
  719178.5211  0.0049 -4.1413 3  224.1340504  595161404311219 2    301120 2      C-13-H3C(O)CH3
  719178.5546  0.0049 -4.1413 3  224.1340504  595161404311319 2    301020 2      C-13-H3C(O)CH3
  719180.1874  0.0202 -4.1580 3  839.1112A16  595161404631450 1    621349 1      C-13-H3C(O)CH3
  719180.1874  0.0202 -4.1580 3  839.1112A16  595161404631350 1    621449 1      C-13-H3C(O)CH3
  719180.1874  0.0202 -4.1964 3  839.1112A16  595161404631450 1    621449 1      C-13-H3C(O)CH3
  719180.1874  0.0202 -4.1964 3  839.1112A16  595161404631350 1    621349 1      C-13-H3C(O)CH3
  719180.6109  0.0200 -3.8780 3  839.1110A16  595161404631450 2    621349 2      C-13-H3C(O)CH3
  719180.6109  0.0200 -6.1642 3  839.1110A16  595161404631350 2    621349 2      C-13-H3C(O)CH3
  719180.6109  0.0200 -3.8780 3  839.1110A16  595161404631350 2    621449 2      C-13-H3C(O)CH3
  719180.6109  0.0200 -6.1642 3  839.1110A16  595161404631450 2    621449 2      C-13-H3C(O)CH3
  719196.7323  0.0050 -4.1413 3  224.1357504  595161404311219 1    301120 1      C-13-H3C(O)CH3
  719196.7639  0.0050 -4.1413 3  224.1357504  595161404311319 1    301020 1      C-13-H3C(O)CH3
  719210.7207  0.0178 -4.5074 3  839.0919508  595161404631350 3    621449 3      C-13-H3C(O)CH3
  719210.7207  0.0178 -4.4500 3  839.0919508  595161404631350 3    621349 3      C-13-H3C(O)CH3
  719210.7207  0.0178 -4.4500 3  839.0919508  595161404631450 3    621449 3      C-13-H3C(O)CH3
  719210.7207  0.0178 -4.5074 3  839.0919508  595161404631450 3    621349 3      C-13-H3C(O)CH3
  719210.7562  0.0178 -4.7259 3  839.0919508  595161404631450 4    621449 4      C-13-H3C(O)CH3
  719210.7562  0.0178 -4.3208 3  839.0919508  595161404631450 4    621349 4      C-13-H3C(O)CH3
  719210.7562  0.0178 -4.7259 3  839.0919508  595161404631350 4    621349 4      C-13-H3C(O)CH3
  719210.7562  0.0178 -4.3208 3  839.0919508  595161404631350 4    621449 4      C-13-H3C(O)CH3
  719255.7783  0.2576 -6.2222 3 1646.9275F12  59516140494 985 2    94 986 2      C-13-H3C(O)CH3
  719255.7783  0.2576 -6.2222 3 1646.9275F12  595161404941085 2    94 886 2      C-13-H3C(O)CH3
  719296.0849  0.0143 -3.6372 3  438.0659648 -595161404402713 1    392614 1      C-13-H3C(O)CH3
  719373.4980  0.0049 -4.1410 3  224.1458504  595161404311219 0    301120 0      C-13-H3C(O)CH3
  719373.5298  0.0049 -4.1410 3  224.1458504  595161404311319 0    301020 0      C-13-H3C(O)CH3
  719399.2551  0.0233 -3.9307 3  438.0537324  595161404402713 3    392614 3      C-13-H3C(O)CH3
  719459.3287  0.0179 -3.9696 3  341.6447584  595161404362115 2    352016 2      C-13-H3C(O)CH3
  719560.7888  0.0212 -4.2704 3  341.6230292  595161404362115 3    352016 3      C-13-H3C(O)CH3
  719566.2564  0.0114 -3.9291 3  717.9678856  595161404532429 0    522528 0      C-13-H3C(O)CH3
  719566.3367  0.0114 -3.9291 3  717.9678856  595161404532529 0    522428 0      C-13-H3C(O)CH3
  719568.0405  0.0200 -4.2704 3  341.6230292  595161404362115 4    352016 4      C-13-H3C(O)CH3
  719575.0311  0.1831 -6.2317 3 1590.5153E96  59516140493 985 0    93 786 0      C-13-H3C(O)CH3
  719575.0311  0.1831 -6.2317 3 1590.5153E96  59516140493 885 0    93 886 0      C-13-H3C(O)CH3
  719616.3009  0.0129 -3.9292 3  717.9615856  595161404532429 1    522528 1      C-13-H3C(O)CH3
  719616.3921  0.0129 -3.9292 3  717.9615856  595161404532529 1    522428 1      C-13-H3C(O)CH3
  719622.8330  0.0139 -3.9291 3  717.9609856  595161404532429 2    522528 2      C-13-H3C(O)CH3
  719622.9237  0.0139 -3.9291 3  717.9609856  595161404532529 2    522428 2      C-13-H3C(O)CH3
  719646.4732  0.0309 -3.8117 3  438.0684648  595161404402713 2    392614 2      C-13-H3C(O)CH3
  719672.9431  0.0157 -4.2302 3  717.9545428  595161404532429 3    522528 3      C-13-H3C(O)CH3
  719673.0418  0.0157 -4.2302 3  717.9545428  595161404532429 4    522528 4      C-13-H3C(O)CH3
  719673.0460  0.0157 -4.2302 3  717.9545428  595161404532529 3    522428 3      C-13-H3C(O)CH3
  719673.1438  0.0157 -4.2302 3  717.9545428  595161404532529 4    522428 4      C-13-H3C(O)CH3
  719677.7741  0.0129 -3.9702 3  341.6722584  595161404362115 0    352016 0      C-13-H3C(O)CH3
  719752.1494  0.0105 -3.9447 3  701.1631840  595161404522527 0    512626 0      C-13-H3C(O)CH3
  719756.0645  0.0105 -3.9447 3  701.1630840  595161404522627 0    512526 0      C-13-H3C(O)CH3
  719778.2569  0.0153 -3.9700 3  341.6506584  595161404362115 1    352016 1      C-13-H3C(O)CH3
  719798.0530  0.1911 -6.1652 3 1590.4929E96  59516140493 885 2    93 886 2      C-13-H3C(O)CH3
  719798.0530  0.1911 -6.1652 3 1590.4929E96  59516140493 985 2    93 786 2      C-13-H3C(O)CH3
  719801.6989  0.0122 -3.9192 3  734.1021872 -595161404542431 0    532330 0      C-13-H3C(O)CH3
  719801.6989  0.0122 -3.9192 3  734.1021872 -595161404542331 0    532430 0      C-13-H3C(O)CH3
  719804.3807  0.0120 -3.9448 3  701.1560840  595161404522527 1    512626 1      C-13-H3C(O)CH3
  719808.6283  0.0119 -3.9448 3  701.1559840  595161404522627 1    512526 1      C-13-H3C(O)CH3
  719813.8456  0.0131 -3.9448 3  701.1550840  595161404522527 2    512626 2      C-13-H3C(O)CH3
  719818.1231  0.0131 -3.9448 3  701.1549840  595161404522627 2    512526 2      C-13-H3C(O)CH3
  719828.4539  0.0077 -4.1237 3  883.8971572  59516140471 467 4    70 566 4      C-13-H3C(O)CH3
  719828.4539  0.0077 -4.1237 3  883.8971572  59516140471 567 4    70 466 4      C-13-H3C(O)CH3
  719828.4955  0.0077 -4.1228 3  883.8971572  59516140471 567 3    70 466 3      C-13-H3C(O)CH3
  719828.4955  0.0077 -4.1228 3  883.8971572  59516140471 467 3    70 566 3      C-13-H3C(O)CH3
  719849.0750  0.0118 -3.8324 3  883.9205B44  59516140471 567 1    70 466 1      C-13-H3C(O)CH3
  719849.0750  0.0118 -5.4387 3  883.9205B44  59516140471 467 1    70 466 1      C-13-H3C(O)CH3
  719849.1728  0.0118 -5.4387 3  883.9205B44 -59516140471 567 1    70 566 1      C-13-H3C(O)CH3
  719849.1728  0.0118 -3.8324 3  883.9205B44 -59516140471 467 1    70 566 1      C-13-H3C(O)CH3
  719849.1728  0.0117 -3.8792 3  883.9202B44 -59516140471 467 2    70 566 2      C-13-H3C(O)CH3
  719849.1728  0.0117 -4.6103 3  883.9202B44 -59516140471 567 2    70 566 2      C-13-H3C(O)CH3
  719849.2463  0.0117 -4.7288 3  883.9202B44  59516140471 467 2    70 466 2      C-13-H3C(O)CH3
  719849.2463  0.0117 -3.8989 3  883.9202B44  59516140471 567 2    70 466 2      C-13-H3C(O)CH3
  719849.9741  0.0139 -3.9192 3  734.0961872  595161404542331 1    532430 1      C-13-H3C(O)CH3
  719849.9756  0.0139 -3.9192 3  734.0961872  595161404542431 1    532330 1      C-13-H3C(O)CH3
  719854.7178  0.0147 -3.9192 3  734.0957872  595161404542331 2    532430 2      C-13-H3C(O)CH3
  719854.7193  0.0147 -3.9192 3  734.0957872  595161404542431 2    532330 2      C-13-H3C(O)CH3
  719866.1309  0.0147 -4.2459 3  701.1479420  595161404522527 3    512626 3      C-13-H3C(O)CH3
  719866.2435  0.0147 -4.2459 3  701.1479420  595161404522527 4    512626 4      C-13-H3C(O)CH3
  719869.5785  0.0075 -3.8299 3  883.9436B44 -59516140471 567 0    70 466 0      C-13-H3C(O)CH3
  719869.5785  0.0075 -5.5551 3  883.9436B44 -59516140471 467 0    70 466 0      C-13-H3C(O)CH3
  719869.8132  0.0075 -5.5551 3  883.9436B44  59516140471 567 0    70 566 0      C-13-H3C(O)CH3
  719869.8132  0.0075 -3.8299 3  883.9436B44  59516140471 467 0    70 566 0      C-13-H3C(O)CH3
  719870.7729  0.0146 -4.2459 3  701.1478420  595161404522627 3    512526 3      C-13-H3C(O)CH3
  719870.8649  0.0147 -4.2459 3  701.1478420  595161404522627 4    512526 4      C-13-H3C(O)CH3
  719903.1195  0.0166 -4.2202 3  734.0897436  595161404542331 3    532430 3      C-13-H3C(O)CH3
  719903.1213  0.0166 -4.2202 3  734.0897436  595161404542431 3    532330 3      C-13-H3C(O)CH3
  719903.2138  0.0166 -4.2202 3  734.0897436  595161404542331 4    532430 4      C-13-H3C(O)CH3
  719903.2156  0.0166 -4.2202 3  734.0897436  595161404542431 4    532330 4      C-13-H3C(O)CH3
  720119.9003  0.0426 -4.2901 3  438.0453324  595161404402713 4    392614 4      C-13-H3C(O)CH3
  720150.7893  0.1655 -6.0689 3 1534.6611E80  59516140492 885 0    92 686 0      C-13-H3C(O)CH3
  720150.7893  0.1655 -6.0689 3 1534.6611E80  59516140492 785 0    92 786 0      C-13-H3C(O)CH3
  720240.8502  0.0123 -5.9397 3  848.9375A32  595161404641352 0    631251 0      C-13-H3C(O)CH3
  720240.8502  0.0123 -3.8789 3  848.9375A32  595161404641252 0    631251 0      C-13-H3C(O)CH3
  720240.8502  0.0123 -3.8789 3  848.9375A32  595161404641352 0    631351 0      C-13-H3C(O)CH3
  720240.8502  0.0123 -5.9397 3  848.9375A32  595161404641252 0    631351 0      C-13-H3C(O)CH3
  720267.4363  0.0217 -4.7367 3  848.9160A32  595161404641352 1    631351 1      C-13-H3C(O)CH3
  720267.4363  0.0217 -3.9393 3  848.9160A32  595161404641352 1    631251 1      C-13-H3C(O)CH3
  720267.4363  0.0217 -4.7367 3  848.9160A32  595161404641252 1    631251 1      C-13-H3C(O)CH3
  720267.4363  0.0217 -3.9393 3  848.9160A32  595161404641252 1    631351 1      C-13-H3C(O)CH3
  720267.7699  0.0214 -4.1875 3  848.9158A32  595161404641352 2    631251 2      C-13-H3C(O)CH3
  720267.7699  0.0214 -4.1875 3  848.9158A32  595161404641252 2    631351 2      C-13-H3C(O)CH3
  720267.7699  0.0214 -4.1650 3  848.9158A32  595161404641252 2    631251 2      C-13-H3C(O)CH3
  720267.7699  0.0214 -4.1650 3  848.9158A32  595161404641352 2    631351 2      C-13-H3C(O)CH3
  720294.3870  0.0174 -4.2763 3  848.8943516  595161404641352 3    631251 3      C-13-H3C(O)CH3
  720294.3870  0.0174 -4.2763 3  848.8943516  595161404641252 3    631351 3      C-13-H3C(O)CH3
  720294.3870  0.0174 -4.8620 3  848.8943516  595161404641252 3    631251 3      C-13-H3C(O)CH3
  720294.3870  0.0174 -4.8620 3  848.8943516  595161404641352 3    631351 3      C-13-H3C(O)CH3
  720294.4127  0.0174 -5.3070 3  848.8943516  595161404641252 4    631251 4      C-13-H3C(O)CH3
  720294.4127  0.0174 -4.2094 3  848.8943516  595161404641252 4    631351 4      C-13-H3C(O)CH3
  720294.4127  0.0174 -4.2094 3  848.8943516  595161404641352 4    631251 4      C-13-H3C(O)CH3
  720294.4127  0.0174 -5.3070 3  848.8943516  595161404641352 4    631351 4      C-13-H3C(O)CH3
  720296.1496  0.0130 -3.9128 3  749.6040888  595161404552333 0    542232 0      C-13-H3C(O)CH3
  720296.1496  0.0130 -3.9128 3  749.6040888  595161404552233 0    542332 0      C-13-H3C(O)CH3
  720339.6947  0.2259 -6.1051 3 1534.6318E80  59516140492 785 2    92 686 2      C-13-H3C(O)CH3
  720339.6947  0.2259 -6.1051 3 1534.6318E80  59516140492 885 2    92 786 2      C-13-H3C(O)CH3
  720343.0478  0.0148 -3.9128 3  749.5980888  595161404552333 1    542232 1      C-13-H3C(O)CH3
  720343.0478  0.0148 -3.9128 3  749.5980888  595161404552233 1    542332 1      C-13-H3C(O)CH3
  720346.6171  0.0155 -3.9128 3  749.5978888  595161404552333 2    542232 2      C-13-H3C(O)CH3
  720346.6171  0.0155 -3.9128 3  749.5978888  595161404552233 2    542332 2      C-13-H3C(O)CH3
  720393.5759  0.0174 -4.2138 3  749.5918444  595161404552333 3    542232 3      C-13-H3C(O)CH3
  720393.5759  0.0174 -4.2138 3  749.5918444  595161404552233 3    542332 3      C-13-H3C(O)CH3
  720393.6662  0.0175 -4.2138 3  749.5917444  595161404552233 4    542332 4      C-13-H3C(O)CH3
  720393.6663  0.0175 -4.2138 3  749.5917444  595161404552333 4    542232 4      C-13-H3C(O)CH3
  720529.0202  0.0204 -4.0164 3  641.2275792  595161404492822 0    482721 0      C-13-H3C(O)CH3
  720607.8616  0.0073 -3.1242 3  419.6715584 -5951614043636 0 0    3535 0 0      C-13-H3C(O)CH3
  720607.8616  0.0073 -3.1242 3  419.6715584 -5951614043636 1 0    3535 1 0      C-13-H3C(O)CH3
  720637.8403  0.0098 -3.9701 3  683.6252824  595161404512625 0    502724 0      C-13-H3C(O)CH3
  720670.9987  0.2472 -5.9630 3 1138.5883516  595161404644223 4    634320 4      C-13-H3C(O)CH3
  720677.7363  0.0077 -3.1240 3  419.5961584 -5951614043636 1 2    3535 1 2      C-13-H3C(O)CH3
  720690.7146  0.0112 -3.9702 3  683.6169824  595161404512625 1    502724 1      C-13-H3C(O)CH3
  720704.8686  0.0127 -3.9702 3  683.6152824  595161404512625 2    502724 2      C-13-H3C(O)CH3
  720715.9213  0.0171 -4.0166 3  641.2117792  595161404492822 1    482721 1      C-13-H3C(O)CH3
  720757.5626  0.0140 -4.2714 3  683.6068412  595161404512625 3    502724 3      C-13-H3C(O)CH3
  720757.8698  0.0141 -4.2714 3  683.6068412  595161404512625 4    502724 4      C-13-H3C(O)CH3
  720776.4368  0.0096 -3.9699 3  683.6216824  595161404512725 0    502624 0      C-13-H3C(O)CH3
  720782.4660  0.0079 -3.1239 3  419.6035584 -5951614043636 1 1    3535 1 1      C-13-H3C(O)CH3
  720809.9383  0.0240 -4.0167 3  641.2058792  595161404492822 2    482721 2      C-13-H3C(O)CH3
  720836.6756  0.0109 -3.9700 3  683.6131824  595161404512725 1    502624 1      C-13-H3C(O)CH3
  720838.8358  0.0303 -4.0244 3  617.4091776  595161404482821 0    472720 0      C-13-H3C(O)CH3
  720850.1415  0.0085 -3.1239 3  419.6451584 -5951614043636 0 2    3535 0 2      C-13-H3C(O)CH3
  720852.0229  0.0110 -3.4247 3  419.5283292  5951614043636 1 4    3535 1 4      C-13-H3C(O)CH3
  720852.5085  0.0117 -3.9700 3  683.6113824  595161404512725 2    502624 2      C-13-H3C(O)CH3
  720883.6076  0.3156 -6.0632 3 1479.3445E64  59516140491 785 1    91 586 1      C-13-H3C(O)CH3
  720883.6076  0.3156 -6.0632 3 1479.3445E64  59516140491 685 1    91 686 1      C-13-H3C(O)CH3
  720884.0636  0.3035 -6.0183 3 1479.3444E64  59516140491 785 2    91 686 2      C-13-H3C(O)CH3
  720884.0636  0.3035 -6.0183 3 1479.3444E64  59516140491 685 2    91 586 2      C-13-H3C(O)CH3
  720892.8736  0.0081 -3.1239 3  419.6739584 -5951614043636 0 1    3535 0 1      C-13-H3C(O)CH3
  720908.8533  0.3195 -6.1119 3 1138.5854516  595161404644223 3    634320 3      C-13-H3C(O)CH3
  720912.9964  0.0132 -4.2712 3  683.6028412  595161404512725 4    502624 4      C-13-H3C(O)CH3
  720913.0914  0.0131 -4.2712 3  683.6028412  595161404512725 3    502624 3      C-13-H3C(O)CH3
  720926.4873  0.2243 -5.6964 3 1138.5410A32  595161404644223 2    634320 2      C-13-H3C(O)CH3
  720960.1377  0.0137 -3.9106 3  764.4983904  595161404562135 0    552234 0      C-13-H3C(O)CH3
  720960.1377  0.0137 -3.9104 3  764.4983904  595161404562235 0    552134 0      C-13-H3C(O)CH3
  720962.0958  0.0105 -3.4247 3  419.5985292  5951614043636 0 3    3535 0 3      C-13-H3C(O)CH3
  720984.7586  0.2650 -6.1921 3 1355.2705B12  595161404694921 0    685018 0      C-13-H3C(O)CH3
  720984.8656  0.2650 -6.1921 3 1355.2705B12  595161404694920 0    685019 0      C-13-H3C(O)CH3
  720993.6149  0.2453 -5.7096 3 1138.5416A32  595161404644223 1    634320 1      C-13-H3C(O)CH3
  720995.9847  0.0204 -4.3180 3  641.1899396  595161404492822 4    482721 4      C-13-H3C(O)CH3
  721002.1468  0.0203 -4.3180 3  641.1898396  595161404492822 3    482721 3      C-13-H3C(O)CH3
  721005.7149  0.0156 -3.9088 3  764.4920904  595161404562135 1    552234 1      C-13-H3C(O)CH3
  721005.7149  0.0156 -3.9089 3  764.4920904  595161404562235 1    552134 1      C-13-H3C(O)CH3
  721007.0438  0.0060 -4.2978 3  888.8320580 -59516140472 369 3    71 368 3      C-13-H3C(O)CH3
  721007.0438  0.0060 -4.5854 3  888.8320580 -59516140472 469 3    71 368 3      C-13-H3C(O)CH3
  721007.0438  0.0060 -4.2396 3  888.8321580 -59516140472 469 4    71 368 4      C-13-H3C(O)CH3
  721007.0438  0.0060 -4.7267 3  888.8321580 -59516140472 369 4    71 368 4      C-13-H3C(O)CH3
  721007.1896  0.0060 -4.7267 3  888.8321580  59516140472 469 4    71 468 4      C-13-H3C(O)CH3
  721007.1896  0.0060 -4.2396 3  888.8321580  59516140472 369 4    71 468 4      C-13-H3C(O)CH3
  721007.2150  0.0060 -4.2978 3  888.8320580  59516140472 469 3    71 468 3      C-13-H3C(O)CH3
  721007.2150  0.0060 -4.5854 3  888.8320580  59516140472 369 3    71 468 3      C-13-H3C(O)CH3
  721008.4661  0.0161 -3.9088 3  764.4918904  595161404562235 2    552134 2      C-13-H3C(O)CH3
  721008.4661  0.0161 -3.9088 3  764.4918904  595161404562135 2    552234 2      C-13-H3C(O)CH3
  721024.2658  0.0109 -3.4246 3  419.5772292  5951614043636 1 3    3535 1 3      C-13-H3C(O)CH3
  721031.5768  0.2384 -6.1922 3 1355.3147B12  595161404694920 2    685018 2      C-13-H3C(O)CH3
  721031.7541  0.0083 -4.1208 3  888.8457B60  59516140472 469 1    71 368 1      C-13-H3C(O)CH3
  721031.7541  0.0083 -4.1136 3  888.8457B60  59516140472 369 1    71 368 1      C-13-H3C(O)CH3
  721031.8057  0.0086 -4.5623 3  888.8454B60  59516140472 369 2    71 468 2      C-13-H3C(O)CH3
  721031.8057  0.0086 -3.9020 3  888.8454B60  59516140472 469 2    71 468 2      C-13-H3C(O)CH3
  721031.9024  0.0083 -4.1208 3  888.8457B60 -59516140472 369 1    71 468 1      C-13-H3C(O)CH3
  721031.9024  0.0086 -4.5623 3  888.8454B60 -59516140472 469 2    71 368 2      C-13-H3C(O)CH3
  721031.9024  0.0083 -4.1136 3  888.8457B60 -59516140472 469 1    71 468 1      C-13-H3C(O)CH3
  721031.9024  0.0086 -3.9020 3  888.8454B60 -59516140472 369 2    71 368 2      C-13-H3C(O)CH3
  721054.1010  0.0182 -4.2106 3  764.4856452  595161404562235 3    552134 3      C-13-H3C(O)CH3
  721054.1010  0.0182 -4.2098 3  764.4856452  595161404562135 3    552234 3      C-13-H3C(O)CH3
  721054.1873  0.0182 -4.2099 3  764.4855452  595161404562135 4    552234 4      C-13-H3C(O)CH3
  721054.1873  0.0182 -4.2106 3  764.4855452  595161404562235 4    552134 4      C-13-H3C(O)CH3
  721056.3187  0.0062 -3.9613 3  888.8591B60  59516140472 369 0    71 468 0      C-13-H3C(O)CH3
  721056.3187  0.0062 -4.3627 3  888.8591B60  59516140472 469 0    71 468 0      C-13-H3C(O)CH3
  721056.3577  0.0062 -4.3627 3  888.8591B60 -59516140472 369 0    71 368 0      C-13-H3C(O)CH3
  721056.3577  0.0062 -3.9613 3  888.8591B60 -59516140472 469 0    71 368 0      C-13-H3C(O)CH3
  721121.4250  0.0247 -4.0245 3  617.3890776  595161404482821 1    472720 1      C-13-H3C(O)CH3
  721135.0522  0.0116 -3.4246 3  419.6475292  5951614043636 0 4    3535 0 4      C-13-H3C(O)CH3
  721178.6793  0.2556 -5.6226 3 1138.4947A32  595161404644223 0    634320 0      C-13-H3C(O)CH3
  721201.6391  0.2655 -6.1919 3 1355.3124B12  595161404694920 1    685018 1      C-13-H3C(O)CH3
  721259.0386  0.2212 -6.1921 3 1355.2695B12  595161404694921 2    685019 2      C-13-H3C(O)CH3
  721299.3440  0.0407 -4.0246 3  617.3798776  595161404482821 2    472720 2      C-13-H3C(O)CH3
  721335.8253  0.2331 -6.1919 3 1355.2648B12  595161404694921 1    685019 1      C-13-H3C(O)CH3
  721346.9246  0.0124 -4.0002 3  858.2020A48  595161404651154 0    641253 0      C-13-H3C(O)CH3
  721346.9246  0.0124 -4.4729 3  858.2020A48  595161404651154 0    641153 0      C-13-H3C(O)CH3
  721346.9246  0.0124 -4.4729 3  858.2020A48  595161404651254 0    641253 0      C-13-H3C(O)CH3
  721346.9246  0.0124 -4.0002 3  858.2020A48  595161404651254 0    641153 0      C-13-H3C(O)CH3
  721369.4279  0.0232 -3.8750 3  858.1780A48  595161404651154 1    641153 1      C-13-H3C(O)CH3
  721369.4279  0.0232 -3.8750 3  858.1780A48  595161404651254 1    641253 1      C-13-H3C(O)CH3
  721369.7046  0.0229 -4.7085 3  858.1778A48  595161404651254 2    641153 2      C-13-H3C(O)CH3
  721369.7046  0.0229 -4.7085 3  858.1778A48  595161404651154 2    641253 2      C-13-H3C(O)CH3
  721369.7046  0.0229 -3.9429 3  858.1778A48  595161404651154 2    641153 2      C-13-H3C(O)CH3
  721369.7046  0.0229 -3.9429 3  858.1778A48  595161404651254 2    641253 2      C-13-H3C(O)CH3
  721392.2350  0.0168 -5.6024 3  858.1538524  595161404651154 3    641253 3      C-13-H3C(O)CH3
  721392.2350  0.0168 -4.1916 3  858.1538524  595161404651154 3    641153 3      C-13-H3C(O)CH3
  721392.2350  0.0168 -4.1916 3  858.1538524  595161404651254 3    641253 3      C-13-H3C(O)CH3
  721392.2350  0.0168 -5.6024 3  858.1538524  595161404651254 3    641153 3      C-13-H3C(O)CH3
  721392.2499  0.0168 -4.8539 3  858.1538524  595161404651254 4    641153 4      C-13-H3C(O)CH3
  721392.2499  0.0168 -4.8539 3  858.1538524  595161404651154 4    641253 4      C-13-H3C(O)CH3
  721392.2499  0.0168 -4.2772 3  858.1538524  595161404651154 4    641153 4      C-13-H3C(O)CH3
  721392.2499  0.0168 -4.2772 3  858.1538524  595161404651254 4    641253 4      C-13-H3C(O)CH3
  721432.2068  0.3636 -6.1865 3 1424.6312E48  59516140490 685 1    90 586 1      C-13-H3C(O)CH3
  721432.2068  0.3636 -6.1865 3 1424.6312E48  59516140490 585 1    90 486 1      C-13-H3C(O)CH3
  721434.9372  0.3569 -6.0262 3 1424.6311E48  59516140490 685 2    90 486 2      C-13-H3C(O)CH3
  721434.9372  0.3569 -6.0262 3 1424.6311E48  59516140490 585 2    90 586 2      C-13-H3C(O)CH3
  721441.1578  0.2060 -6.0347 3 1424.6646E48  59516140490 685 0    90 486 0      C-13-H3C(O)CH3
  721441.1578  0.2060 -6.0347 3 1424.6646E48  59516140490 585 0    90 586 0      C-13-H3C(O)CH3
  721505.3043  0.2675 -6.1110 3 1138.5829516  595161404644222 3    634321 3      C-13-H3C(O)CH3
  721577.3730  0.0364 -4.3258 3  617.3597388  595161404482821 4    472720 4      C-13-H3C(O)CH3
  721590.0162  0.0361 -4.3257 3  617.3595388  595161404482821 3    472720 3      C-13-H3C(O)CH3
  721628.9960  0.2539 -5.6957 3 1138.5380A32  595161404644222 2    634321 2      C-13-H3C(O)CH3
  721670.5399  0.0209 -3.9535 3  362.8958600  595161404372215 2    362116 2      C-13-H3C(O)CH3
  721680.4557  0.2493 -5.9444 3 1264.2111A80  595161404674621 2    664719 2      C-13-H3C(O)CH3
  721699.5415  0.0144 -4.0180 3  665.2618808  595161404502723 0    492822 0      C-13-H3C(O)CH3
  721714.7650  0.0142 -4.0184 3  665.2522808  595161404502723 1    492822 1      C-13-H3C(O)CH3
  721723.2845  0.0197 -4.0185 3  665.2494808  595161404502723 2    492822 2      C-13-H3C(O)CH3
  721735.3410  0.2596 -5.6218 3 1138.4941A32  595161404644222 0    634321 0      C-13-H3C(O)CH3
  721735.8667  0.0193 -4.3200 3  665.2398404  595161404502723 3    492822 3      C-13-H3C(O)CH3
  721738.7790  0.0194 -4.3200 3  665.2397404  595161404502723 4    492822 4      C-13-H3C(O)CH3
  721740.3396  0.0142 -4.0268 3  778.8019920  595161404572037 0    562136 0      C-13-H3C(O)CH3
  721740.3396  0.0142 -4.5223 3  778.8019920  595161404572037 0    562036 0      C-13-H3C(O)CH3
  721740.3396  0.0142 -4.0268 3  778.8019920  595161404572137 0    562036 0      C-13-H3C(O)CH3
  721740.3396  0.0142 -4.5223 3  778.8019920  595161404572137 0    562136 0      C-13-H3C(O)CH3
  721744.0913  0.2362 -5.9622 3 1138.5801516  595161404644222 4    634321 4      C-13-H3C(O)CH3
  721763.3832  0.0233 -4.2545 3  362.8741300  595161404372215 3    362116 3      C-13-H3C(O)CH3
  721766.3189  0.0232 -4.2545 3  362.8740300  595161404372215 4    362116 4      C-13-H3C(O)CH3
  721777.6086  0.2850 -5.7089 3 1138.5363A32  595161404644222 1    634321 1      C-13-H3C(O)CH3
  721784.6305  0.0163 -4.0093 3  778.7951920  595161404572137 1    562136 1      C-13-H3C(O)CH3
  721784.6305  0.0163 -4.5820 3  778.7951920  595161404572037 1    562136 1      C-13-H3C(O)CH3
  721784.6305  0.0163 -4.0093 3  778.7951920  595161404572037 1    562036 1      C-13-H3C(O)CH3
  721784.6305  0.0163 -4.5820 3  778.7951920  595161404572137 1    562036 1      C-13-H3C(O)CH3
  721786.7842  0.0167 -3.9162 3  778.7949920  595161404572137 2    562136 2      C-13-H3C(O)CH3
  721786.7842  0.0167 -5.5593 3  778.7949920  595161404572037 2    562136 2      C-13-H3C(O)CH3
  721786.7842  0.0167 -3.9162 3  778.7949920  595161404572037 2    562036 2      C-13-H3C(O)CH3
  721786.7842  0.0167 -5.5593 3  778.7949920  595161404572137 2    562036 2      C-13-H3C(O)CH3
  721792.3495  0.2951 -5.9443 3 1264.1595A80  595161404674622 0    664719 0      C-13-H3C(O)CH3
  721798.6119  0.2952 -5.9443 3 1264.1595A80  595161404674621 0    664720 0      C-13-H3C(O)CH3
  721827.9096  0.2858 -5.9441 3 1264.2110A80  595161404674621 1    664719 1      C-13-H3C(O)CH3
  721831.1301  0.0189 -4.2602 3  778.7881460  595161404572137 3    562036 3      C-13-H3C(O)CH3
  721831.1301  0.0189 -4.2602 3  778.7881460  595161404572037 3    562136 3      C-13-H3C(O)CH3
  721831.1301  0.0189 -5.1487 3  778.7881460  595161404572037 3    562036 3      C-13-H3C(O)CH3
  721831.1301  0.0189 -5.1487 3  778.7881460  595161404572137 3    562136 3      C-13-H3C(O)CH3
  721831.2120  0.0189 -4.6274 3  778.7881460  595161404572037 4    562036 4      C-13-H3C(O)CH3
  721831.2120  0.0189 -4.4152 3  778.7881460  595161404572137 4    562036 4      C-13-H3C(O)CH3
  721831.2120  0.0189 -4.6274 3  778.7881460  595161404572137 4    562136 4      C-13-H3C(O)CH3
  721831.2120  0.0189 -4.4152 3  778.7881460  595161404572037 4    562136 4      C-13-H3C(O)CH3
  721928.1518  0.0143 -3.9547 3  362.9233600  595161404372215 0    362116 0      C-13-H3C(O)CH3
  721992.0239  0.3526 -6.1494 3 1370.4922E32  59516140489 485 1    89 486 1      C-13-H3C(O)CH3
  721992.0239  0.3526 -6.1494 3 1370.4922E32  59516140489 585 1    89 386 1      C-13-H3C(O)CH3
  721996.5157  0.3514 -6.0685 3 1370.4919E32  59516140489 585 2    89 486 2      C-13-H3C(O)CH3
  721996.5157  0.3514 -6.0685 3 1370.4919E32  59516140489 485 2    89 386 2      C-13-H3C(O)CH3
  722017.7025  0.2414 -5.9443 3 1264.1799A80  595161404674622 2    664720 2      C-13-H3C(O)CH3
  722017.8095  0.0158 -3.9546 3  362.9017600  595161404372215 1    362116 1      C-13-H3C(O)CH3
  722160.8455  0.2717 -5.9440 3 1264.1767A80  595161404674622 1    664720 1      C-13-H3C(O)CH3
  722184.9908  0.0075 -4.6240 3  194.3304244  595161404301021 4    29 722 4      C-13-H3C(O)CH3
  722184.9908  0.0075 -4.6240 3  194.3304244  59516140430 921 4    29 822 4      C-13-H3C(O)CH3
  722185.3537  0.0061 -4.6240 3  194.3304244  59516140430 921 3    29 822 3      C-13-H3C(O)CH3
  722185.3537  0.0061 -4.6240 3  194.3304244  595161404301021 3    29 722 3      C-13-H3C(O)CH3
  722189.5516  0.2017 -5.9866 3 1370.5186E32  59516140489 585 0    89 486 0      C-13-H3C(O)CH3
  722189.5516  0.2017 -5.9866 3 1370.5186E32  59516140489 485 0    89 386 0      C-13-H3C(O)CH3
  722197.7429  0.0054 -4.2947 3  893.2385588  59516140473 271 4    72 370 4      C-13-H3C(O)CH3
  722197.7429  0.0054 -4.5731 3  893.2385588  59516140473 371 4    72 370 4      C-13-H3C(O)CH3
  722197.7435  0.0054 -4.1121 3  893.2385588  59516140473 371 3    72 270 3      C-13-H3C(O)CH3
  722197.8156  0.0054 -4.5731 3  893.2385588 -59516140473 271 4    72 270 4      C-13-H3C(O)CH3
  722197.8156  0.0054 -4.2947 3  893.2385588 -59516140473 371 4    72 270 4      C-13-H3C(O)CH3
  722197.8156  0.0054 -4.1121 3  893.2385588 -59516140473 271 3    72 370 3      C-13-H3C(O)CH3
  722222.5176  0.0093 -6.0987 3  893.2360B76  59516140473 371 2    72 270 2      C-13-H3C(O)CH3
  722222.5176  0.0093 -3.8121 3  893.2360B76  59516140473 271 2    72 270 2      C-13-H3C(O)CH3
  722222.5892  0.0086 -3.8954 3  893.2364B76 -59516140473 271 1    72 370 1      C-13-H3C(O)CH3
  722222.5892  0.0093 -3.8121 3  893.2360B76 -59516140473 371 2    72 370 2      C-13-H3C(O)CH3
  722222.5892  0.0093 -6.0987 3  893.2360B76 -59516140473 271 2    72 370 2      C-13-H3C(O)CH3
  722222.5892  0.0086 -4.5574 3  893.2364B76 -59516140473 371 1    72 370 1      C-13-H3C(O)CH3
  722222.5898  0.0086 -4.5574 3  893.2364B76  59516140473 271 1    72 270 1      C-13-H3C(O)CH3
  722222.5898  0.0086 -3.8954 3  893.2364B76  59516140473 371 1    72 270 1      C-13-H3C(O)CH3
  722247.3214  0.0063 -5.3476 3  893.2339B76  59516140473 371 0    72 370 0      C-13-H3C(O)CH3
  722247.3214  0.0063 -5.3476 3  893.2339B76  59516140473 271 0    72 270 0      C-13-H3C(O)CH3
  722247.3570  0.0063 -3.8226 3  893.2339B76 -59516140473 271 0    72 370 0      C-13-H3C(O)CH3
  722247.3570  0.0063 -3.8226 3  893.2339B76 -59516140473 371 0    72 270 0      C-13-H3C(O)CH3
  722386.2380  0.0157 -5.9402 3  174.8066212  5951614042618 9 4    251312 4      C-13-H3C(O)CH3
  722466.7759  0.0127 -5.4500 3  866.9254A64  595161404661156 0    651055 0      C-13-H3C(O)CH3
  722466.7759  0.0127 -5.4500 3  866.9254A64  595161404661056 0    651155 0      C-13-H3C(O)CH3
  722466.7759  0.0127 -3.8845 3  866.9254A64  595161404661056 0    651055 0      C-13-H3C(O)CH3
  722466.7759  0.0127 -3.8845 3  866.9254A64  595161404661156 0    651155 0      C-13-H3C(O)CH3
  722484.5441  0.0247 -5.2969 3  866.8989A64  595161404661156 1    651055 1      C-13-H3C(O)CH3
  722484.5441  0.0247 -3.8895 3  866.8989A64  595161404661156 1    651155 1      C-13-H3C(O)CH3
  722484.5441  0.0247 -3.8895 3  866.8989A64  595161404661056 1    651055 1      C-13-H3C(O)CH3
  722484.5441  0.0247 -5.2969 3  866.8989A64  595161404661056 1    651155 1      C-13-H3C(O)CH3
  722484.7938  0.0243 -3.8750 3  866.8987A64  595161404661156 2    651055 2      C-13-H3C(O)CH3
  722484.7938  0.0243 -3.8750 3  866.8987A64  595161404661056 2    651155 2      C-13-H3C(O)CH3
  722484.7938  0.0243 -6.1737 3  866.8987A64  595161404661156 2    651155 2      C-13-H3C(O)CH3
  722484.7938  0.0243 -6.1737 3  866.8987A64  595161404661056 2    651055 2      C-13-H3C(O)CH3
  722486.4204  0.0046 -3.1829 3  422.7394600 -5951614043734 3 0    3633 4 0      C-13-H3C(O)CH3
  722486.4204  0.0046 -3.1829 3  422.7394600 -5951614043734 4 0    3633 3 0      C-13-H3C(O)CH3
  722490.1976  0.0054 -4.3226 3  194.3274488  59516140430 921 2    29 822 2      C-13-H3C(O)CH3
  722490.1976  0.0054 -4.3226 3  194.3274488  595161404301021 2    29 722 2      C-13-H3C(O)CH3
  722501.7552  0.0056 -4.3226 3  194.3284488  59516140430 921 1    29 822 1      C-13-H3C(O)CH3
  722501.7553  0.0056 -4.3226 3  194.3284488  595161404301021 1    29 722 1      C-13-H3C(O)CH3
  722502.5850  0.0162 -5.4730 3  866.8723532  595161404661056 3    651055 3      C-13-H3C(O)CH3
  722502.5850  0.0162 -5.4730 3  866.8723532  595161404661156 3    651155 3      C-13-H3C(O)CH3
  722502.5850  0.0162 -4.1961 3  866.8723532  595161404661156 3    651055 3      C-13-H3C(O)CH3
  722502.5850  0.0162 -4.1961 3  866.8723532  595161404661056 3    651155 3      C-13-H3C(O)CH3
  722502.5880  0.0162 -4.1777 3  866.8722532  595161404661056 4    651155 4      C-13-H3C(O)CH3
  722502.5880  0.0162 -6.2155 3  866.8722532  595161404661156 4    651155 4      C-13-H3C(O)CH3
  722502.5880  0.0162 -4.1777 3  866.8722532  595161404661156 4    651055 4      C-13-H3C(O)CH3
  722502.5880  0.0162 -6.2155 3  866.8722532  595161404661056 4    651055 4      C-13-H3C(O)CH3
  722521.4256  0.0048 -3.1829 3  422.6888600 -5951614043734 4 2    3633 4 2      C-13-H3C(O)CH3
  722569.1259  0.2675 -5.9715 3 1316.9274E16  59516140488 485 1    88 286 1      C-13-H3C(O)CH3
  722569.1259  0.2675 -5.9715 3 1316.9274E16  59516140488 385 1    88 386 1      C-13-H3C(O)CH3
  722573.4206  0.2727 -5.9740 3 1316.9269E16  59516140488 385 2    88 386 2      C-13-H3C(O)CH3
  722573.4206  0.2727 -5.9740 3 1316.9269E16  59516140488 485 2    88 286 2      C-13-H3C(O)CH3
  722588.9166  0.0050 -3.1827 3  422.6783600 -5951614043734 4 1    3633 4 1      C-13-H3C(O)CH3
  722603.2897  0.0146 -3.9070 3  792.5271936  595161404581939 0    572038 0      C-13-H3C(O)CH3
  722603.2897  0.0146 -3.9070 3  792.5271936  595161404582039 0    571938 0      C-13-H3C(O)CH3
  722624.3997  0.0073 -3.4837 3  422.6277300  5951614043734 4 4    3633 4 4      C-13-H3C(O)CH3
  722646.2662  0.0170 -3.9601 3  792.5195936  595161404581939 1    571938 1      C-13-H3C(O)CH3
  722646.2662  0.0170 -3.9601 3  792.5195936  595161404582039 1    572038 1      C-13-H3C(O)CH3
  722646.2662  0.0170 -4.8305 3  792.5195936  595161404582039 1    571938 1      C-13-H3C(O)CH3
  722646.2662  0.0170 -4.8305 3  792.5195936  595161404581939 1    572038 1      C-13-H3C(O)CH3
  722647.9660  0.0173 -4.6607 3  792.5193936  595161404581939 2    572038 2      C-13-H3C(O)CH3
  722647.9660  0.0173 -4.6607 3  792.5193936  595161404582039 2    571938 2      C-13-H3C(O)CH3
  722647.9660  0.0173 -3.9890 3  792.5193936  595161404582039 2    572038 2      C-13-H3C(O)CH3
  722647.9660  0.0173 -3.9890 3  792.5193936  595161404581939 2    571938 2      C-13-H3C(O)CH3
  722650.9570  0.0050 -3.1827 3  422.7130600 -5951614043734 3 2    3633 3 2      C-13-H3C(O)CH3
  722690.9947  0.0194 -4.2062 3  792.5117468  595161404582039 3    571938 3      C-13-H3C(O)CH3
  722690.9947  0.0194 -4.2062 3  792.5117468  595161404581939 3    572038 3      C-13-H3C(O)CH3
  722691.0721  0.0194 -4.6628 3  792.5117468  595161404581939 4    572038 4      C-13-H3C(O)CH3
  722691.0721  0.0194 -4.3928 3  792.5117468  595161404581939 4    571938 4      C-13-H3C(O)CH3
  722691.0721  0.0194 -4.3928 3  792.5117468  595161404582039 4    572038 4      C-13-H3C(O)CH3
  722691.0721  0.0194 -4.6628 3  792.5117468  595161404582039 4    571938 4      C-13-H3C(O)CH3
  722695.5495  0.3998 -5.7410 3 1020.8899492  595161404613824 4    603921 4      C-13-H3C(O)CH3
  722721.5105  0.0050 -3.1826 3  422.7252600 -5951614043734 3 1    3633 3 1      C-13-H3C(O)CH3
  722753.1551  0.0072 -3.4836 3  422.6520300  5951614043734 4 3    3633 4 3      C-13-H3C(O)CH3
  722756.2834  0.0070 -3.4836 3  422.6746300  5951614043734 3 3    3633 3 3      C-13-H3C(O)CH3
  722806.0033  0.0054 -4.3221 3  194.3254488  595161404301021 0    29 722 0      C-13-H3C(O)CH3
  722806.0033  0.0054 -4.3221 3  194.3254488  59516140430 921 0    29 822 0      C-13-H3C(O)CH3
  722885.2408  0.0072 -3.4834 3  422.6988300  5951614043734 3 4    3633 3 4      C-13-H3C(O)CH3
  722909.4150  0.0103 -5.8494 3  174.8064212  5951614042618 9 3    251312 3      C-13-H3C(O)CH3
  722943.1867  0.0118 -5.5952 3  174.8124424  5951614042618 9 1    251312 1      C-13-H3C(O)CH3
  723033.3616  0.1630 -6.0786 3 1316.9377E16  59516140488 385 0    88 286 0      C-13-H3C(O)CH3
  723033.3616  0.1630 -6.0786 3 1316.9377E16  59516140488 485 0    88 386 0      C-13-H3C(O)CH3
  723064.2587  0.3467 -5.3380 3  888.2314460  595161404573522 3    563621 3      C-13-H3C(O)CH3
  723118.3793  0.0225 -3.9164 3  384.7092616  595161404382315 2    372216 2      C-13-H3C(O)CH3
  723146.4737  0.2101 -5.6344 3 1020.8769492  595161404613824 3    603921 3      C-13-H3C(O)CH3
  723170.5588  0.2056 -6.1170 3 1263.9363E00  59516140487 285 1    87 186 1      C-13-H3C(O)CH3
  723170.5588  0.2056 -6.1170 3 1263.9363E00  59516140487 385 1    87 286 1      C-13-H3C(O)CH3
  723170.6884  0.2244 -6.0586 3 1263.9359E00  59516140487 385 2    87 186 2      C-13-H3C(O)CH3
  723170.6884  0.2244 -6.0555 3 1263.9359E00  59516140487 285 2    87 286 2      C-13-H3C(O)CH3
  723188.8325  0.0252 -4.2173 3  384.6879308  595161404382315 3    372216 3      C-13-H3C(O)CH3
  723189.0080  0.0245 -4.2174 3  384.6878308  595161404382315 4    372216 4      C-13-H3C(O)CH3
  723382.2869  0.0145 -3.9182 3  384.7361616 -595161404382315 0    372216 0      C-13-H3C(O)CH3
  723386.5685  0.2900 -5.3716 3 1020.8458984  595161404613824 2    603921 2      C-13-H3C(O)CH3
  723389.7964  0.0107 -5.5701 3  174.8061424  5951614042618 9 2    251312 2      C-13-H3C(O)CH3
  723401.8936  0.0064 -4.1041 3  897.1189596  59516140474 173 3    73 272 3      C-13-H3C(O)CH3
  723401.9114  0.0064 -4.5123 3  897.1189596  59516140474 273 4    73 272 4      C-13-H3C(O)CH3
  723401.9114  0.0064 -4.3191 3  897.1189596  59516140474 173 4    73 272 4      C-13-H3C(O)CH3
  723401.9472  0.0064 -4.3191 3  897.1189596 -59516140474 273 4    73 172 4      C-13-H3C(O)CH3
  723401.9472  0.0064 -4.1041 3  897.1189596 -59516140474 273 3    73 172 3      C-13-H3C(O)CH3
  723401.9472  0.0064 -4.5123 3  897.1189596 -59516140474 173 4    73 172 4      C-13-H3C(O)CH3
  723420.7010  0.0102 -4.2532 3  897.0920B92  59516140474 273 2    73 272 2      C-13-H3C(O)CH3
  723420.7010  0.0102 -3.9930 3  897.0920B92  59516140474 173 2    73 272 2      C-13-H3C(O)CH3
  723420.7158  0.0092 -4.9438 3  897.0924B92 -59516140474 173 1    73 172 1      C-13-H3C(O)CH3
  723420.7158  0.0102 -4.2532 3  897.0920B92 -59516140474 173 2    73 172 2      C-13-H3C(O)CH3
  723420.7158  0.0102 -3.9930 3  897.0920B92 -59516140474 273 2    73 172 2      C-13-H3C(O)CH3
  723420.7158  0.0092 -3.8355 3  897.0924B92 -59516140474 273 1    73 172 1      C-13-H3C(O)CH3
  723420.7997  0.0092 -3.8355 3  897.0924B92  59516140474 173 1    73 272 1      C-13-H3C(O)CH3
  723420.7997  0.0092 -4.9438 3  897.0924B92  59516140474 273 1    73 272 1      C-13-H3C(O)CH3
  723432.3264  0.1930 -5.3679 3 1020.8447984  595161404613824 1    603921 1      C-13-H3C(O)CH3
  723439.4760  0.0065 -3.9469 3  897.0655B92 -59516140474 273 0    73 272 0      C-13-H3C(O)CH3
  723439.4760  0.0065 -4.3521 3  897.0655B92 -59516140474 273 0    73 172 0      C-13-H3C(O)CH3
  723439.4760  0.0065 -3.9469 3  897.0655B92 -59516140474 173 0    73 172 0      C-13-H3C(O)CH3
  723439.4760  0.0065 -4.3521 3  897.0655B92 -59516140474 173 0    73 272 0      C-13-H3C(O)CH3
  723448.6200  0.0153 -3.9181 3  384.7148616  595161404382315 1    372216 1      C-13-H3C(O)CH3
  723474.6753  0.2758 -5.3811 3  888.2193460  595161404573522 4    563621 4      C-13-H3C(O)CH3
  723527.0728  0.0147 -3.9048 3  805.6830952  595161404591841 0    581840 0      C-13-H3C(O)CH3
  723527.0728  0.0147 -3.9048 3  805.6830952  595161404591941 0    581940 0      C-13-H3C(O)CH3
  723568.6486  0.0175 -5.9049 3  805.6743952  595161404591941 1    581840 1      C-13-H3C(O)CH3
  723568.6486  0.0175 -5.0705 3  805.6743952  595161404591841 1    581940 1      C-13-H3C(O)CH3
  723568.6486  0.0175 -3.9090 3  805.6743952  595161404591941 1    581940 1      C-13-H3C(O)CH3
  723568.6486  0.0175 -3.9354 3  805.6743952  595161404591841 1    581840 1      C-13-H3C(O)CH3
  723569.9920  0.0177 -3.9061 3  805.6741952  595161404591841 2    581840 2      C-13-H3C(O)CH3
  723569.9920  0.0177 -3.9061 3  805.6741952  595161404591941 2    581940 2      C-13-H3C(O)CH3
  723599.4045  0.0131 -3.9604 3  875.1090A80 -595161404671058 0    661057 0      C-13-H3C(O)CH3
  723599.4045  0.0131 -4.6018 3  875.1090A80 -59516140467 958 0    661057 0      C-13-H3C(O)CH3
  723599.4045  0.0131 -3.9604 3  875.1090A80 -59516140467 958 0    66 957 0      C-13-H3C(O)CH3
  723599.4045  0.0131 -4.6018 3  875.1090A80 -595161404671058 0    66 957 0      C-13-H3C(O)CH3
  723611.5979  0.0257 -3.9706 3  875.0803A80 -595161404671058 1    66 957 1      C-13-H3C(O)CH3
  723611.5979  0.0257 -4.5596 3  875.0803A80 -59516140467 958 1    66 957 1      C-13-H3C(O)CH3
  723611.5979  0.0252 -3.9154 3  875.0801A80 -595161404671058 2    66 957 2      C-13-H3C(O)CH3
  723611.5979  0.0252 -4.8837 3  875.0801A80 -59516140467 958 2    66 957 2      C-13-H3C(O)CH3
  723611.5979  0.0252 -4.8837 3  875.0801A80 -595161404671058 2    661057 2      C-13-H3C(O)CH3
  723611.5979  0.0257 -3.9706 3  875.0803A80 -59516140467 958 1    661057 1      C-13-H3C(O)CH3
  723611.5979  0.0257 -4.5596 3  875.0803A80 -595161404671058 1    661057 1      C-13-H3C(O)CH3
  723611.5979  0.0252 -3.9154 3  875.0801A80 -59516140467 958 2    661057 2      C-13-H3C(O)CH3
  723611.6175  0.0197 -4.2059 3  805.6654476  595161404591841 3    581840 3      C-13-H3C(O)CH3
  723611.6175  0.0197 -4.2059 3  805.6654476  595161404591941 3    581940 3      C-13-H3C(O)CH3
  723611.6900  0.0197 -4.2186 3  805.6654476  595161404591941 4    581840 4      C-13-H3C(O)CH3
  723611.6900  0.0197 -4.2186 3  805.6654476  595161404591841 4    581940 4      C-13-H3C(O)CH3
  723611.6900  0.0197 -5.7360 3  805.6654476  595161404591841 4    581840 4      C-13-H3C(O)CH3
  723611.6900  0.0197 -5.7360 3  805.6654476  595161404591941 4    581940 4      C-13-H3C(O)CH3
  723624.2101  0.0155 -4.5557 3  875.0513540  59516140467 958 4    66 957 4      C-13-H3C(O)CH3
  723624.2101  0.0155 -4.4036 3  875.0513540  59516140467 958 4    661057 4      C-13-H3C(O)CH3
  723624.2101  0.0155 -4.4036 3  875.0513540  595161404671058 4    66 957 4      C-13-H3C(O)CH3
  723624.2101  0.0155 -4.5557 3  875.0513540  595161404671058 4    661057 4      C-13-H3C(O)CH3
  723624.2197  0.0155 -4.1725 3  875.0513540  59516140467 958 3    66 957 3      C-13-H3C(O)CH3
  723624.2197  0.0155 -4.1725 3  875.0513540  595161404671058 3    661057 3      C-13-H3C(O)CH3
  723736.8906  0.0100 -5.5398 3  174.8121424  5951614042618 9 0    251312 0      C-13-H3C(O)CH3
  723854.2178  0.0109 -4.9345 3  163.8526236  59516140429 623 4    28 524 4      C-13-H3C(O)CH3
  723854.2178  0.0109 -4.9345 3  163.8526236  59516140429 723 4    28 424 4      C-13-H3C(O)CH3
  723854.3545  0.0092 -4.9240 3  163.8525236  59516140429 623 3    28 524 3      C-13-H3C(O)CH3
  723854.3545  0.0092 -4.9240 3  163.8525236  59516140429 723 3    28 424 3      C-13-H3C(O)CH3
  723929.5105  0.1479 -5.3340 3 1020.8062984  595161404613824 0    603921 0      C-13-H3C(O)CH3
  723978.5845  0.0500 -5.7429 3  442.5729324  595161404402813 4    392712 4      C-13-H3C(O)CH3
  723995.6277  0.1553 -6.2191 3 1263.9183E00  59516140487 285 0    87 286 0      C-13-H3C(O)CH3
  723995.6277  0.1553 -6.2191 3 1263.9183E00  59516140487 385 0    87 186 0      C-13-H3C(O)CH3
  724146.7018  0.0042 -3.2546 3  427.4443616 -5951614043832 6 0    3731 7 0      C-13-H3C(O)CH3
  724146.7018  0.0042 -3.2546 3  427.4443616 -5951614043832 7 0    3731 6 0      C-13-H3C(O)CH3
  724149.0170  0.3264 -5.0495 3  888.2031920  595161404573522 2    563621 2      C-13-H3C(O)CH3
  724185.6810  0.0046 -3.2547 3  427.4147616 -5951614043832 7 2    3731 7 2      C-13-H3C(O)CH3
  724203.1431  0.0046 -3.2546 3  427.3961616 -5951614043832 7 1    3731 7 1      C-13-H3C(O)CH3
  724226.9149  0.2226 -5.0459 3  888.2017920  595161404573522 1    563621 1      C-13-H3C(O)CH3
  724243.0534  0.0062 -3.5557 3  427.3664308  5951614043832 7 4    3731 7 4      C-13-H3C(O)CH3
  724267.2013  0.0047 -3.2546 3  427.4293616 -5951614043832 6 2    3731 6 2      C-13-H3C(O)CH3
  724324.1626  0.0063 -3.5556 3  427.3811308  5951614043832 7 3    3731 7 3      C-13-H3C(O)CH3
  724328.1965  0.0088 -4.6245 3  163.8283472  59516140429 723 2    28 524 2      C-13-H3C(O)CH3
  724328.1965  0.0088 -4.6245 3  163.8283472  59516140429 623 2    28 424 2      C-13-H3C(O)CH3
  724332.6826  0.0047 -3.2544 3  427.4245616 -5951614043832 6 1    3731 6 1      C-13-H3C(O)CH3
  724334.9388  0.0094 -4.6230 3  163.8289472  59516140429 623 1    28 424 1      C-13-H3C(O)CH3
  724334.9388  0.0094 -4.6230 3  163.8289472  59516140429 723 1    28 524 1      C-13-H3C(O)CH3
  724371.2105  0.0077 -6.0368 3  138.7678392  595161404241411 2    23 914 2      C-13-H3C(O)CH3
  724372.1837  0.0062 -3.5555 3  427.3949308  5951614043832 6 3    3731 6 3      C-13-H3C(O)CH3
  724425.4105  0.0189 -5.4048 3  225.7982236  5951614042921 9 4    281811 4      C-13-H3C(O)CH3
  724442.4071  0.0076 -6.0365 3  138.7699392  595161404241411 1    23 914 1      C-13-H3C(O)CH3
  724452.7321  0.0067 -3.5554 3  427.4095308  5951614043832 6 4    3731 6 4      C-13-H3C(O)CH3
  724454.2625  0.0428 -5.0703 3  442.5832648  595161404402813 2    392712 2      C-13-H3C(O)CH3
  724496.8825  0.0147 -4.5428 3  818.2764968  595161404601743 0    591842 0      C-13-H3C(O)CH3
  724496.8825  0.0147 -4.0182 3  818.2764968  595161404601843 0    591842 0      C-13-H3C(O)CH3
  724496.8825  0.0147 -4.5428 3  818.2764968  595161404601843 0    591742 0      C-13-H3C(O)CH3
  724496.8825  0.0147 -4.0182 3  818.2764968  595161404601743 0    591742 0      C-13-H3C(O)CH3
  724536.9110  0.0180 -3.9170 3  818.2664968  595161404601843 1    591842 1      C-13-H3C(O)CH3
  724536.9110  0.0180 -5.4539 3  818.2664968  595161404601843 1    591742 1      C-13-H3C(O)CH3
  724536.9110  0.0180 -3.9170 3  818.2664968  595161404601743 1    591742 1      C-13-H3C(O)CH3
  724536.9110  0.0180 -5.4539 3  818.2664968  595161404601743 1    591842 1      C-13-H3C(O)CH3
  724537.9678  0.0181 -4.4851 3  818.2662968  595161404601743 2    591842 2      C-13-H3C(O)CH3
  724537.9678  0.0181 -4.4851 3  818.2662968  595161404601843 2    591742 2      C-13-H3C(O)CH3
  724537.9678  0.0181 -4.0370 3  818.2662968  595161404601743 2    591742 2      C-13-H3C(O)CH3
  724537.9678  0.0181 -4.0370 3  818.2662968  595161404601843 2    591842 2      C-13-H3C(O)CH3
  724548.1469  0.0060 -4.3627 3  248.1072260  595161404321418 4    311319 4      C-13-H3C(O)CH3
  724548.4022  0.0053 -4.3627 3  248.1072260  595161404321418 3    311319 3      C-13-H3C(O)CH3
  724550.0460  0.0060 -4.3627 3  248.1072260  595161404321518 4    311219 4      C-13-H3C(O)CH3
  724550.3094  0.0053 -4.3627 3  248.1072260  595161404321518 3    311219 3      C-13-H3C(O)CH3
  724578.0432  0.0199 -4.2224 3  818.2561484  595161404601743 3    591842 3      C-13-H3C(O)CH3
  724578.0432  0.0199 -5.6272 3  818.2561484  595161404601743 3    591742 3      C-13-H3C(O)CH3
  724578.0432  0.0199 -5.6272 3  818.2561484  595161404601843 3    591842 3      C-13-H3C(O)CH3
  724578.0432  0.0199 -4.2224 3  818.2561484  595161404601843 3    591742 3      C-13-H3C(O)CH3
  724578.1103  0.0199 -5.6687 3  818.2561484  595161404601843 4    591842 4      C-13-H3C(O)CH3
  724578.1103  0.0199 -4.2208 3  818.2561484  595161404601843 4    591742 4      C-13-H3C(O)CH3
  724578.1103  0.0199 -4.2208 3  818.2561484  595161404601743 4    591842 4      C-13-H3C(O)CH3
  724578.1103  0.0199 -5.6687 3  818.2561484  595161404601743 4    591742 4      C-13-H3C(O)CH3
  724615.0661  0.0159 -5.7358 3  132.7425228  59516140428 425 3    27 126 3      C-13-H3C(O)CH3
  724615.0661  0.0159 -5.9874 3  132.7425228  59516140428 425 3    27 226 3      C-13-H3C(O)CH3
  724615.0661  0.0159 -5.9874 3  132.7425228  59516140428 325 3    27 126 3      C-13-H3C(O)CH3
  724615.0661  0.0159 -5.7358 3  132.7425228  59516140428 325 3    27 226 3      C-13-H3C(O)CH3
  724615.5973  0.0178 -5.5445 3  132.7425228  59516140428 325 4    27 226 4      C-13-H3C(O)CH3
  724615.5973  0.0178 -5.5445 3  132.7425228  59516140428 425 4    27 126 4      C-13-H3C(O)CH3
  724622.1826  0.0105 -4.1210 3  900.4762604 -59516140475 075 4    74 174 4      C-13-H3C(O)CH3
  724622.1826  0.0105 -5.2617 3  900.4762604 -59516140475 175 4    74 174 4      C-13-H3C(O)CH3
  724622.1826  0.0105 -4.2518 3  900.4762604 -59516140475 175 3    74 174 3      C-13-H3C(O)CH3
  724622.1826  0.0105 -4.2518 3  900.4762604 -59516140475 075 3    74 074 3      C-13-H3C(O)CH3
  724622.3099  0.0105 -5.3536 3  900.4762604  59516140475 075 4    74 074 4      C-13-H3C(O)CH3
  724622.3099  0.0105 -4.1270 3  900.4762604  59516140475 175 4    74 074 4      C-13-H3C(O)CH3
  724622.3282  0.0105 -4.6178 3  900.4762604  59516140475 075 3    74 174 3      C-13-H3C(O)CH3
  724622.3282  0.0105 -4.6178 3  900.4762604  59516140475 175 3    74 074 3      C-13-H3C(O)CH3
  724625.2041  0.0166 -3.8298 3  900.4132C08  59516140475 175 1    74 074 1      C-13-H3C(O)CH3
  724625.2041  0.0166 -3.8298 3  900.4132C08  59516140475 075 1    74 174 1      C-13-H3C(O)CH3
  724625.2823  0.0166 -4.9109 3  900.4132C08 -59516140475 075 1    74 074 1      C-13-H3C(O)CH3
  724625.2823  0.0166 -4.9109 3  900.4132C08 -59516140475 175 1    74 174 1      C-13-H3C(O)CH3
  724625.2823  0.0186 -3.9962 3  900.4130C08 -59516140475 175 2    74 074 2      C-13-H3C(O)CH3
  724625.2823  0.0186 -4.2262 3  900.4130C08 -59516140475 075 2    74 074 2      C-13-H3C(O)CH3
  724625.3940  0.0186 -3.9962 3  900.4130C08  59516140475 075 2    74 174 2      C-13-H3C(O)CH3
  724625.3940  0.0186 -4.2262 3  900.4130C08  59516140475 175 2    74 174 2      C-13-H3C(O)CH3
  724628.1930  0.0123 -5.2161 3  900.3502C08 -59516140475 075 0    74 174 0      C-13-H3C(O)CH3
  724628.1930  0.0123 -3.8118 3  900.3502C08 -59516140475 175 0    74 174 0      C-13-H3C(O)CH3
  724628.2508  0.0123 -3.8118 3  900.3502C08  59516140475 075 0    74 074 0      C-13-H3C(O)CH3
  724628.2508  0.0123 -5.2161 3  900.3502C08  59516140475 175 0    74 074 0      C-13-H3C(O)CH3
  724656.1636  0.0051 -4.0617 3  248.1232520  595161404321418 2    311319 2      C-13-H3C(O)CH3
  724658.0843  0.0051 -4.0617 3  248.1232520  595161404321518 2    311219 2      C-13-H3C(O)CH3
  724680.6209  0.0051 -4.0617 3  248.1255520  595161404321418 1    311319 1      C-13-H3C(O)CH3
  724681.7480  0.0078 -6.0353 3  138.7604392  595161404241411 0    23 914 0      C-13-H3C(O)CH3
  724682.4555  0.0051 -4.0617 3  248.1255520  595161404321518 1    311219 1      C-13-H3C(O)CH3
  724743.4368  0.0132 -3.9623 3  882.7539A96 -59516140468 860 0    67 959 0      C-13-H3C(O)CH3
  724743.4368  0.0132 -4.5817 3  882.7539A96 -59516140468 860 0    67 859 0      C-13-H3C(O)CH3
  724743.4368  0.0132 -3.9623 3  882.7539A96 -59516140468 960 0    67 859 0      C-13-H3C(O)CH3
  724743.4368  0.0132 -4.5817 3  882.7539A96 -59516140468 960 0    67 959 0      C-13-H3C(O)CH3
  724749.5047  0.0254 -4.1702 3  882.7232A96 -59516140468 860 2    67 959 2      C-13-H3C(O)CH3
  724749.5047  0.0259 -3.8698 3  882.7233A96 -59516140468 960 1    67 959 1      C-13-H3C(O)CH3
  724749.5047  0.0254 -3.9382 3  882.7232A96 -59516140468 960 2    67 959 2      C-13-H3C(O)CH3
  724749.5047  0.0254 -4.6992 3  882.7232A96 -59516140468 960 2    67 859 2      C-13-H3C(O)CH3
  724749.5047  0.0259 -3.8698 3  882.7233A96 -59516140468 860 1    67 859 1      C-13-H3C(O)CH3
  724749.5047  0.0254 -4.1694 3  882.7232A96 -59516140468 860 2    67 859 2      C-13-H3C(O)CH3
  724756.2674  0.0146 -4.1916 3  882.6925548  59516140468 960 4    67 959 4      C-13-H3C(O)CH3
  724756.2674  0.0146 -5.4792 3  882.6925548  59516140468 960 4    67 859 4      C-13-H3C(O)CH3
  724756.2674  0.0146 -5.4792 3  882.6925548  59516140468 860 4    67 959 4      C-13-H3C(O)CH3
  724756.2674  0.0146 -4.1916 3  882.6925548  59516140468 860 4    67 859 4      C-13-H3C(O)CH3
  724756.2898  0.0146 -4.1698 3  882.6925548  59516140468 860 3    67 959 3      C-13-H3C(O)CH3
  724756.2898  0.0146 -4.1698 3  882.6925548  59516140468 960 3    67 859 3      C-13-H3C(O)CH3
  724788.2217  0.0049 -4.0615 3  248.1415520  595161404321418 0    311319 0      C-13-H3C(O)CH3
  724790.0706  0.0049 -4.0615 3  248.1415520  595161404321518 0    311219 0      C-13-H3C(O)CH3
  724798.1599  0.0123 -5.1391 3  225.8147472  5951614042921 9 1    281811 1      C-13-H3C(O)CH3
  724807.7785  0.0084 -4.9032 3  163.8048472  59516140429 623 0    28 424 0      C-13-H3C(O)CH3
  724807.7785  0.0084 -4.9421 3  163.8048472  59516140429 623 0    28 524 0      C-13-H3C(O)CH3
  724807.7785  0.0084 -4.9032 3  163.8048472  59516140429 723 0    28 524 0      C-13-H3C(O)CH3
  724807.7785  0.0084 -4.9421 3  163.8048472  59516140429 723 0    28 424 0      C-13-H3C(O)CH3
  724812.7170  0.0261 -4.5819 3  442.5654648  595161404402813 1    392712 1      C-13-H3C(O)CH3
  724854.6630  0.0170 -5.5336 3  225.7991236  5951614042921 9 3    281811 3      C-13-H3C(O)CH3
  724994.7743  0.0132 -4.0130 3  665.1795808  595161404502823 0    492722 0      C-13-H3C(O)CH3
  725073.3938  0.0481 -4.7058 3  442.5566324  595161404402813 3    392712 3      C-13-H3C(O)CH3
  725101.7243  0.3342 -6.2279 3 1211.4567D84  59516140486 285 0    86 086 0      C-13-H3C(O)CH3
  725101.7243  0.3342 -6.2279 3 1211.4567D84  59516140486 185 0    86 186 0      C-13-H3C(O)CH3
  725106.5091  0.2425 -5.0345 3  888.1799920  595161404573522 0    563621 0      C-13-H3C(O)CH3
  725115.6110  0.0124 -4.0132 3  665.1674808  595161404502823 1    492722 1      C-13-H3C(O)CH3
  725163.5604  0.0048 -3.4787 3  442.5782648 -595161404402813 0    392712 0      C-13-H3C(O)CH3
  725163.6369  0.0133 -4.0133 3  665.1636808  595161404502823 2    492722 2      C-13-H3C(O)CH3
  725257.7492  0.0170 -5.3145 3  225.7991236  5951614042921 8 3    281811 3      C-13-H3C(O)CH3
  725284.7468  0.0117 -4.3146 3  665.1515404  595161404502823 4    492722 4      C-13-H3C(O)CH3
  725287.3667  0.0118 -4.3146 3  665.1514404  595161404502823 3    492722 3      C-13-H3C(O)CH3
  725312.2807  0.0203 -6.0024 3  132.6862456  59516140428 425 2    27 126 2      C-13-H3C(O)CH3
  725312.2807  0.0203 -5.3226 3  132.6862456  59516140428 425 2    27 226 2      C-13-H3C(O)CH3
  725312.2807  0.0203 -5.3226 3  132.6862456  59516140428 325 2    27 126 2      C-13-H3C(O)CH3
  725312.2807  0.0203 -6.0024 3  132.6862456  59516140428 325 2    27 226 2      C-13-H3C(O)CH3
  725314.5943  0.0211 -5.2774 3  132.6866456  59516140428 325 1    27 226 1      C-13-H3C(O)CH3
  725314.5943  0.0211 -5.2774 3  132.6866456  59516140428 425 1    27 126 1      C-13-H3C(O)CH3
  725314.8062  0.0141 -5.2132 3  225.8135472  5951614042921 9 2    281811 2      C-13-H3C(O)CH3
  725335.2922  0.0041 -3.3467 3  433.9548632 -5951614043930 9 0    382910 0      C-13-H3C(O)CH3
  725335.2922  0.0041 -3.3467 3  433.9548632 -595161404393010 0    3829 9 0      C-13-H3C(O)CH3
  725365.7263  0.0057 -3.5143 3  442.5469648 -595161404402813 1    392713 1      C-13-H3C(O)CH3
  725369.4744  0.0050 -3.3468 3  433.9200632 -595161404393010 1    382910 1      C-13-H3C(O)CH3
  725401.2913  0.0048 -3.3467 3  433.9357632 -595161404393010 2    382910 2      C-13-H3C(O)CH3
  725405.4210  0.0078 -5.0034 3  236.9318244  595161404302010 3    291713 3      C-13-H3C(O)CH3
  725428.6562  0.0073 -5.0071 3  236.9317244  595161404302010 4    291713 4      C-13-H3C(O)CH3
  725430.3459  0.0054 -3.4893 3  442.5506648 -595161404402813 2    392713 2      C-13-H3C(O)CH3
  725431.0062  0.0050 -3.5143 3  442.5654648  595161404402812 1    392712 1      C-13-H3C(O)CH3
  725435.9789  0.0063 -3.6478 3  433.9006316  595161404393010 4    382910 4      C-13-H3C(O)CH3
  725444.2150  0.0076 -4.7039 3  236.9500488  595161404302010 1    291713 1      C-13-H3C(O)CH3
  725448.8367  0.0044 -3.3468 3  433.9546632 -5951614043930 9 2    3829 9 2      C-13-H3C(O)CH3
  725450.4807  0.0064 -3.7839 3  442.5238324  595161404402813 4    392713 4      C-13-H3C(O)CH3
  725453.6870  0.0101 -5.8720 3  153.1498408  595161404251411 2    241114 2      C-13-H3C(O)CH3
  725456.2404  0.0052 -3.4898 3  442.5832648 -595161404402812 2    392712 2      C-13-H3C(O)CH3
  725470.8600  0.0070 -3.8344 3  442.5566324  595161404402812 3    392712 3      C-13-H3C(O)CH3
  725471.5499  0.0118 -6.1743 3  153.1542204  595161404251411 3    241114 3      C-13-H3C(O)CH3
  725480.8978  0.0047 -3.4784 3  442.5709648 -595161404402812 0    392713 0      C-13-H3C(O)CH3
  725483.9943  0.0059 -3.6480 3  433.9196316 -595161404393010 3    3829 9 3      C-13-H3C(O)CH3
  725483.9943  0.0043 -3.3466 3  433.9381632 -5951614043930 9 1    3829 9 1      C-13-H3C(O)CH3
  725489.2872  0.0147 -6.1744 3  153.1543204  595161404251411 4    241114 4      C-13-H3C(O)CH3
  725502.4738  0.0144 -5.5812 3  830.3128984  595161404611645 0    601744 0      C-13-H3C(O)CH3
  725502.4738  0.0144 -4.0188 3  830.3128984  595161404611745 0    601744 0      C-13-H3C(O)CH3
  725502.4738  0.0144 -4.5418 3  830.3128984  595161404611745 0    601644 0      C-13-H3C(O)CH3
  725502.4738  0.0144 -3.9141 3  830.3128984  595161404611645 0    601644 0      C-13-H3C(O)CH3
  725540.7423  0.0186 -3.9054 3  830.3011984  595161404611745 1    601744 1      C-13-H3C(O)CH3
  725540.7423  0.0186 -3.9054 3  830.3011984  595161404611645 1    601644 1      C-13-H3C(O)CH3
  725541.5654  0.0186 -4.7088 3  830.3009984  595161404611745 2    601744 2      C-13-H3C(O)CH3
  725541.5654  0.0186 -3.9790 3  830.3009984  595161404611645 2    601744 2      C-13-H3C(O)CH3
  725541.5654  0.0186 -3.9790 3  830.3009984  595161404611745 2    601644 2      C-13-H3C(O)CH3
  725541.5654  0.0186 -4.7088 3  830.3009984  595161404611645 2    601644 2      C-13-H3C(O)CH3
  725551.0301  0.0057 -3.6476 3  433.9189316  5951614043930 9 3    382910 3      C-13-H3C(O)CH3
  725568.4532  0.0064 -3.8339 3  442.5401324  595161404402813 3    392713 3      C-13-H3C(O)CH3
  725579.8779  0.0200 -4.2174 3  830.2892492  595161404611645 3    601644 3      C-13-H3C(O)CH3
  725579.8779  0.0200 -5.7860 3  830.2892492  595161404611645 3    601744 3      C-13-H3C(O)CH3
  725579.8779  0.0200 -5.7860 3  830.2892492  595161404611745 3    601644 3      C-13-H3C(O)CH3
  725579.8779  0.0200 -4.2174 3  830.2892492  595161404611745 3    601744 3      C-13-H3C(O)CH3
  725579.9391  0.0200 -4.2370 3  830.2892492  595161404611745 4    601744 4      C-13-H3C(O)CH3
  725579.9391  0.0200 -5.3650 3  830.2892492  595161404611745 4    601644 4      C-13-H3C(O)CH3
  725579.9391  0.0200 -5.3650 3  830.2892492  595161404611645 4    601744 4      C-13-H3C(O)CH3
  725579.9391  0.0200 -4.2370 3  830.2892492  595161404611645 4    601644 4      C-13-H3C(O)CH3
  725582.2162  0.0172 -5.6791 3  189.7420212  5951614042622 4 4    2519 6 4      C-13-H3C(O)CH3
  725589.0454  0.0077 -4.7002 3  236.9445488  595161404302010 2    291713 2      C-13-H3C(O)CH3
  725589.0960  0.0058 -3.7843 3  442.5729324  595161404402812 4    392712 4      C-13-H3C(O)CH3
  725598.2817  0.0057 -3.6478 3  433.9379316 -5951614043930 9 4    3829 9 4      C-13-H3C(O)CH3
  725613.0857  0.0083 -4.7000 3  236.9628488  595161404302010 0    291713 0      C-13-H3C(O)CH3
  725620.8328  0.0138 -5.6761 3  189.7041212  5951614042622 5 3    2519 6 3      C-13-H3C(O)CH3
  725651.1676  0.0119 -5.0821 3  225.8147472  5951614042921 8 1    281811 1      C-13-H3C(O)CH3
  725670.4848  0.0217 -3.8613 3  407.0966632  595161404392415 2    382316 2      C-13-H3C(O)CH3
  725685.9704  0.0095 -5.8708 3  153.1480408  595161404251411 0    241114 0      C-13-H3C(O)CH3
  725710.1222  0.0102 -5.8725 3  153.1524408  595161404251411 1    241114 1      C-13-H3C(O)CH3
  725714.0472  0.0253 -4.1620 3  407.0760316  595161404392415 3    382316 3      C-13-H3C(O)CH3
  725720.4875  0.0231 -4.1622 3  407.0758316  595161404392415 4    382316 4      C-13-H3C(O)CH3
  725742.1358  0.0178 -5.4153 3  225.7982236  5951614042921 8 4    281811 4      C-13-H3C(O)CH3
  725758.2171  0.0086 -4.8111 3  225.8294472  5951614042921 8 0    281811 0      C-13-H3C(O)CH3
  725762.0963  0.2243 -6.0900 3 1177.0570524  595161404654323 4    644420 4      C-13-H3C(O)CH3
  725787.5047  0.0137 -5.0295 3  225.8135472  5951614042921 8 2    281811 2      C-13-H3C(O)CH3
  725895.2976  0.0132 -3.8634 3  407.1221632  595161404392415 0    382316 0      C-13-H3C(O)CH3
  725897.5277  0.0052 -6.0999 3  453.6595664  595161404412616 2    402516 2      C-13-H3C(O)CH3
  725898.2222  0.0135 -4.2674 3  889.7973556  59516140469 762 4    68 861 4      C-13-H3C(O)CH3
  725898.2222  0.0135 -4.8523 3  889.7973556  59516140469 762 4    68 761 4      C-13-H3C(O)CH3
  725898.2222  0.0135 -4.8523 3  889.7973556  59516140469 862 4    68 861 4      C-13-H3C(O)CH3
  725898.2222  0.0135 -4.2674 3  889.7973556  59516140469 862 4    68 761 4      C-13-H3C(O)CH3
  725898.2563  0.0135 -4.5455 3  889.7973556  59516140469 862 3    68 761 3      C-13-H3C(O)CH3
  725898.2563  0.0135 -4.4023 3  889.7973556  59516140469 862 3    68 861 3      C-13-H3C(O)CH3
  725898.2563  0.0135 -4.4023 3  889.7973556  59516140469 762 3    68 761 3      C-13-H3C(O)CH3
  725898.2563  0.0135 -4.5455 3  889.7973556  59516140469 762 3    68 861 3      C-13-H3C(O)CH3
  725898.3274  0.0248 -4.0667 3  889.8292B12  59516140469 762 1    68 861 1      C-13-H3C(O)CH3
  725898.3274  0.0248 -4.2977 3  889.8292B12  59516140469 762 1    68 761 1      C-13-H3C(O)CH3
  725898.3274  0.0248 -4.2977 3  889.8292B12  59516140469 862 1    68 861 1      C-13-H3C(O)CH3
  725898.3274  0.0248 -4.0667 3  889.8292B12  59516140469 862 1    68 761 1      C-13-H3C(O)CH3
  725898.6022  0.0244 -3.9142 3  889.8290B12  59516140469 762 2    68 861 2      C-13-H3C(O)CH3
  725898.6022  0.0244 -3.9142 3  889.8290B12  59516140469 862 2    68 761 2      C-13-H3C(O)CH3
  725898.6022  0.0244 -4.8446 3  889.8290B12  59516140469 762 2    68 761 2      C-13-H3C(O)CH3
  725898.6022  0.0244 -4.8446 3  889.8290B12  59516140469 862 2    68 861 2      C-13-H3C(O)CH3
  725898.6835  0.0129 -4.0220 3  889.8608B12  59516140469 862 0    68 761 0      C-13-H3C(O)CH3
  725898.6835  0.0129 -4.3865 3  889.8608B12  59516140469 862 0    68 861 0      C-13-H3C(O)CH3
  725898.6835  0.0129 -3.9081 3  889.8608B12  59516140469 762 0    68 861 0      C-13-H3C(O)CH3
  725898.6835  0.0129 -4.9014 3  889.8608B12  59516140469 762 0    68 761 0      C-13-H3C(O)CH3
  725899.2799  0.0226 -4.0247 3  457.8560332  595161404412715 4    402614 4      C-13-H3C(O)CH3
  725938.7867  0.0141 -3.8631 3  407.1014632  595161404392415 1    382316 1      C-13-H3C(O)CH3
  725941.1269  0.0053 -6.0482 3  453.6409332  595161404412616 4    402516 4      C-13-H3C(O)CH3
  725965.9193  0.0492 -4.7050 3  442.5401324  595161404402812 3    392713 3      C-13-H3C(O)CH3
  725976.1255  0.0141 -5.6776 3  189.6944212  5951614042622 4 3    2519 7 3      C-13-H3C(O)CH3
  725979.2378  0.2356 -5.8633 3 1177.0068A48  595161404654323 2    644420 2      C-13-H3C(O)CH3
  725984.1445  0.0272 -4.5808 3  442.5469648  595161404402812 1    392713 1      C-13-H3C(O)CH3
  726010.1763  0.0194 -5.6941 3  132.6304456  59516140428 425 0    27 226 0      C-13-H3C(O)CH3
  726010.1763  0.0194 -5.4265 3  132.6304456  59516140428 325 0    27 226 0      C-13-H3C(O)CH3
  726010.1763  0.0194 -5.6941 3  132.6304456  59516140428 325 0    27 126 0      C-13-H3C(O)CH3
  726010.1763  0.0194 -5.4265 3  132.6304456  59516140428 425 0    27 126 0      C-13-H3C(O)CH3
  726016.1306  0.0143 -5.6726 3  189.6566212  5951614042622 5 4    2519 7 4      C-13-H3C(O)CH3
  726058.7366  0.2721 -5.8535 3 1177.0081A48  595161404654323 1    644420 1      C-13-H3C(O)CH3
  726075.1755  0.0064 -3.6225 3  457.8834664 -595161404412715 0    402614 0      C-13-H3C(O)CH3
  726078.7612  0.0140 -3.6695 3  457.8700664  595161404412715 2    402614 2      C-13-H3C(O)CH3
  726079.7594  0.0132 -5.3777 3  189.7422424  5951614042622 4 1    2519 6 1      C-13-H3C(O)CH3
  726085.6243  0.0159 -4.2075 3  307.4492552  595161404342213 1    331914 1      C-13-H3C(O)CH3
  726091.0141  0.0075 -3.6366 3  457.8675664 -595161404412715 1    402614 1      C-13-H3C(O)CH3
  726245.2098  0.3003 -6.2136 3 1177.0068A48  595161404654322 2    644420 2      C-13-H3C(O)CH3
  726256.7373  0.2831 -5.7031 3 1176.9581A48  595161404654323 0    644420 0      C-13-H3C(O)CH3
  726278.9471  0.4224 -6.2139 3 1176.9968A48  595161404654323 2    644421 2      C-13-H3C(O)CH3
  726307.6416  0.0145 -4.2095 3  307.4635552  595161404342213 0    331914 0      C-13-H3C(O)CH3
  726314.4290  0.0166 -4.5096 3  307.4199276  595161404342213 4    331914 4      C-13-H3C(O)CH3
  726314.7123  0.0112 -3.9333 3  457.8518332  595161404412715 3    402614 3      C-13-H3C(O)CH3
  726319.3766  0.0189 -4.5102 3  307.4196276  595161404342213 3    331914 3      C-13-H3C(O)CH3
  726380.0351  0.0126 -5.3804 3  189.7478424  5951614042622 4 2    2519 6 2      C-13-H3C(O)CH3
  726415.4248  0.0129 -5.3764 3  189.7100424  5951614042622 5 2    2519 7 2      C-13-H3C(O)CH3
  726432.1982  0.0447 -5.0685 3  442.5506648  595161404402812 2    392713 2      C-13-H3C(O)CH3
  726468.8477  0.0127 -5.3752 3  189.6948424  5951614042622 5 1    2519 7 1      C-13-H3C(O)CH3
  726516.9366  0.2853 -5.7028 3 1176.9578A48  595161404654322 0    644421 0      C-13-H3C(O)CH3
  726536.6286  0.0141 -4.0488 3  841.7964A00  595161404621647 0    611546 0      C-13-H3C(O)CH3
  726536.6286  0.0141 -4.4555 3  841.7964A00  595161404621547 0    611546 0      C-13-H3C(O)CH3
  726536.6286  0.0141 -4.4555 3  841.7964A00  595161404621647 0    611646 0      C-13-H3C(O)CH3
  726536.6286  0.0141 -4.0488 3  841.7964A00  595161404621547 0    611646 0      C-13-H3C(O)CH3
  726544.9192  0.2964 -5.8629 3 1176.9968A48  595161404654322 2    644421 2      C-13-H3C(O)CH3
  726547.6197  0.0154 -4.2110 3  307.4340552  595161404342213 2    331914 2      C-13-H3C(O)CH3
  726572.8518  0.0193 -4.0588 3  841.7828A00  595161404621547 1    611546 1      C-13-H3C(O)CH3
  726572.8518  0.0193 -4.0588 3  841.7828A00  595161404621647 1    611646 1      C-13-H3C(O)CH3
  726572.8518  0.0193 -4.4308 3  841.7828A00  595161404621547 1    611646 1      C-13-H3C(O)CH3
  726572.8518  0.0193 -4.4308 3  841.7828A00  595161404621647 1    611546 1      C-13-H3C(O)CH3
  726573.4844  0.0193 -5.2684 3  841.7826A00  595161404621647 2    611646 2      C-13-H3C(O)CH3
  726573.4844  0.0193 -3.9244 3  841.7826A00  595161404621647 2    611546 2      C-13-H3C(O)CH3
  726573.4844  0.0193 -5.2684 3  841.7826A00  595161404621547 2    611546 2      C-13-H3C(O)CH3
  726573.4844  0.0193 -3.9244 3  841.7826A00  595161404621547 2    611646 2      C-13-H3C(O)CH3
  726609.7487  0.0198 -4.8351 3  841.7691500  595161404621547 3    611546 3      C-13-H3C(O)CH3
  726609.7487  0.0198 -4.3224 3  841.7691500  595161404621547 3    611646 3      C-13-H3C(O)CH3
  726609.7487  0.0198 -4.8351 3  841.7691500  595161404621647 3    611646 3      C-13-H3C(O)CH3
  726609.7487  0.0198 -4.3224 3  841.7691500  595161404621647 3    611546 3      C-13-H3C(O)CH3
  726609.8032  0.0198 -5.9279 3  841.7690500  595161404621647 4    611646 4      C-13-H3C(O)CH3
  726609.8032  0.0198 -4.2818 3  841.7690500  595161404621547 4    611646 4      C-13-H3C(O)CH3
  726609.8032  0.0198 -5.0021 3  841.7690500  595161404621547 4    611546 4      C-13-H3C(O)CH3
  726609.8032  0.0198 -4.2144 3  841.7690500  595161404621647 4    611546 4      C-13-H3C(O)CH3
  726705.5224  0.3197 -5.8529 3 1176.9955A48  595161404654322 1    644421 1      C-13-H3C(O)CH3
  726754.3117  0.2688 -6.0894 3 1177.0345524  595161404654322 4    644421 4      C-13-H3C(O)CH3
  726861.4373  0.0139 -5.3798 3  189.7484424  5951614042622 5 0    2519 6 0      C-13-H3C(O)CH3
  726888.8092  0.0138 -5.3798 3  189.7475424  5951614042622 4 0    2519 7 0      C-13-H3C(O)CH3
  727047.0314  0.0462 -4.4108 3  670.1966404  595161404502822 3    492921 3      C-13-H3C(O)CH3
  727049.8211  0.0121 -4.2251 3  896.3672564  59516140470 664 4    69 763 4      C-13-H3C(O)CH3
  727049.8211  0.0121 -4.6203 3  896.3672564  59516140470 764 4    69 663 4      C-13-H3C(O)CH3
  727049.8211  0.0121 -4.3503 3  896.3672564  59516140470 764 4    69 763 4      C-13-H3C(O)CH3
  727049.8211  0.0121 -5.0431 3  896.3672564  59516140470 664 4    69 663 4      C-13-H3C(O)CH3
  727049.8641  0.0121 -5.2933 3  896.3672564  59516140470 664 3    69 663 3      C-13-H3C(O)CH3
  727049.8641  0.0121 -4.1971 3  896.3672564  59516140470 664 3    69 763 3      C-13-H3C(O)CH3
  727049.8641  0.0121 -4.1971 3  896.3672564  59516140470 764 3    69 663 3      C-13-H3C(O)CH3
  727049.8641  0.0121 -5.2933 3  896.3672564  59516140470 764 3    69 763 3      C-13-H3C(O)CH3
  727056.3736  0.0219 -3.8630 3  896.3986B28 -59516140470 764 2    69 663 2      C-13-H3C(O)CH3
  727056.3736  0.0219 -3.8630 3  896.3986B28 -59516140470 664 2    69 763 2      C-13-H3C(O)CH3
  727056.3736  0.0223 -3.9994 3  896.3988B28 -59516140470 764 1    69 763 1      C-13-H3C(O)CH3
  727056.3736  0.0223 -4.4310 3  896.3988B28 -59516140470 764 1    69 663 1      C-13-H3C(O)CH3
  727056.3736  0.0223 -4.4310 3  896.3988B28 -59516140470 664 1    69 763 1      C-13-H3C(O)CH3
  727056.3736  0.0223 -3.9994 3  896.3988B28 -59516140470 664 1    69 663 1      C-13-H3C(O)CH3
  727059.2955  0.0462 -4.4108 3  670.1963404  595161404502822 4    492921 4      C-13-H3C(O)CH3
  727060.9923  0.0528 -5.7400 3  442.5238324  595161404402812 4    392713 4      C-13-H3C(O)CH3
  727063.8127  0.0119 -3.8658 3  896.4301B28 -59516140470 664 0    69 763 0      C-13-H3C(O)CH3
  727063.8127  0.0119 -6.0093 3  896.4301B28 -59516140470 764 0    69 763 0      C-13-H3C(O)CH3
  727063.8127  0.0119 -3.8658 3  896.4301B28 -59516140470 764 0    69 663 0      C-13-H3C(O)CH3
  727063.8127  0.0119 -6.0093 3  896.4301B28 -59516140470 664 0    69 663 0      C-13-H3C(O)CH3
  727083.3629  0.0211 -6.1424 3  170.1966392  5951614042423 1 1    2320 3 1      C-13-H3C(O)CH3
  727179.7523  0.0508 -4.1087 3  670.2045808  595161404502822 2    492921 2      C-13-H3C(O)CH3
  727209.1175  0.0197 -6.1452 3  170.2112392  5951614042423 1 2    2320 3 2      C-13-H3C(O)CH3
  727222.3664  0.0316 -4.1083 3  670.2074808  595161404502822 1    492921 1      C-13-H3C(O)CH3
  727345.5865  0.0363 -4.1072 3  670.2155808  595161404502822 0    492921 0      C-13-H3C(O)CH3
  727467.2722  0.0213 -6.1407 3  170.1586392  5951614042423 2 2    2320 4 2      C-13-H3C(O)CH3
  727581.3646  0.0175 -3.8315 3  499.6748696  595161404432717 0    422616 0      C-13-H3C(O)CH3
  727594.1933  0.0137 -3.9964 3  852.7307A16  595161404631449 0    621548 0      C-13-H3C(O)CH3
  727594.1933  0.0137 -3.9964 3  852.7307A16  595161404631549 0    621448 0      C-13-H3C(O)CH3
  727594.1933  0.0137 -4.6288 3  852.7307A16  595161404631449 0    621448 0      C-13-H3C(O)CH3
  727594.1933  0.0137 -4.6288 3  852.7307A16  595161404631549 0    621548 0      C-13-H3C(O)CH3
  727628.0074  0.0203 -5.6500 3  852.7150A16  595161404631549 1    621548 1      C-13-H3C(O)CH3
  727628.0074  0.0203 -5.6500 3  852.7150A16  595161404631449 1    621448 1      C-13-H3C(O)CH3
  727628.0074  0.0203 -3.9133 3  852.7150A16  595161404631449 1    621548 1      C-13-H3C(O)CH3
  727628.0074  0.0203 -3.9133 3  852.7150A16  595161404631549 1    621448 1      C-13-H3C(O)CH3
  727628.4873  0.0201 -5.7023 3  852.7148A16  595161404631449 2    621448 2      C-13-H3C(O)CH3
  727628.4873  0.0201 -4.6629 3  852.7148A16  595161404631549 2    621548 2      C-13-H3C(O)CH3
  727628.4873  0.0201 -3.9124 3  852.7148A16  595161404631549 2    621448 2      C-13-H3C(O)CH3
  727628.4873  0.0201 -3.9888 3  852.7148A16  595161404631449 2    621548 2      C-13-H3C(O)CH3
  727662.3393  0.0196 -5.2268 3  852.6991508  595161404631549 3    621548 3      C-13-H3C(O)CH3
  727662.3393  0.0196 -4.2499 3  852.6991508  595161404631549 3    621448 3      C-13-H3C(O)CH3
  727662.3393  0.0196 -5.2268 3  852.6991508  595161404631449 3    621448 3      C-13-H3C(O)CH3
  727662.3393  0.0196 -4.2499 3  852.6991508  595161404631449 3    621548 3      C-13-H3C(O)CH3
  727662.3863  0.0196 -4.4494 3  852.6991508  595161404631449 4    621548 4      C-13-H3C(O)CH3
  727662.3863  0.0196 -4.5743 3  852.6991508  595161404631549 4    621548 4      C-13-H3C(O)CH3
  727662.3863  0.0196 -4.5743 3  852.6991508  595161404631449 4    621448 4      C-13-H3C(O)CH3
  727662.3863  0.0196 -4.4494 3  852.6991508  595161404631549 4    621448 4      C-13-H3C(O)CH3
  727721.3959  0.0210 -6.1402 3  170.1455392  5951614042423 2 1    2320 4 1      C-13-H3C(O)CH3
  727748.4902  0.0165 -3.8312 3  499.6560696 -595161404432717 1    422616 1      C-13-H3C(O)CH3
  727856.0774  0.0086 -5.8643 3  171.6650212  595161404261710 4    251213 4      C-13-H3C(O)CH3
  727859.5872  0.2602 -6.0285 3 1304.9115A96  595161404684721 2    674819 2      C-13-H3C(O)CH3
  727913.3502  0.0365 -4.0255 3  593.6817760  595161404472820 0    462719 0      C-13-H3C(O)CH3
  727931.8130  0.3093 -6.0285 3 1304.8618A96  595161404684722 0    674819 0      C-13-H3C(O)CH3
  727934.4728  0.3093 -6.0285 3 1304.8618A96  595161404684721 0    674820 0      C-13-H3C(O)CH3
  727943.9992  0.0076 -5.8616 3  171.6650212  595161404261710 3    251213 3      C-13-H3C(O)CH3
  727981.0247  0.0217 -6.1454 3  170.2160392  5951614042423 2 0    2320 3 0      C-13-H3C(O)CH3
  727981.0476  0.0217 -6.1454 3  170.2160392  5951614042423 1 0    2320 4 0      C-13-H3C(O)CH3
  728019.1283  0.3006 -6.0282 3 1304.9117A96  595161404684721 1    674819 1      C-13-H3C(O)CH3
  728045.7193  0.0255 -3.8305 3  499.6450696  595161404432717 2    422616 2      C-13-H3C(O)CH3
  728113.0566  0.0084 -5.5608 3  171.6699424  595161404261710 1    251213 1      C-13-H3C(O)CH3
  728168.3783  0.0234 -4.1328 3  499.6266348  595161404432717 4    422616 4      C-13-H3C(O)CH3
  728171.5528  0.2521 -6.0284 3 1304.8755A96  595161404684722 2    674820 2      C-13-H3C(O)CH3
  728211.0979  0.0103 -4.2914 3  902.4035572  59516140471 566 4    70 565 4      C-13-H3C(O)CH3
  728211.0979  0.0103 -4.2914 3  902.4035572  59516140471 666 4    70 665 4      C-13-H3C(O)CH3
  728211.0979  0.0103 -4.7420 3  902.4035572  59516140471 666 4    70 565 4      C-13-H3C(O)CH3
  728211.0979  0.0103 -4.7420 3  902.4035572  59516140471 566 4    70 665 4      C-13-H3C(O)CH3
  728211.1445  0.0103 -4.1613 3  902.4035572  59516140471 666 3    70 565 3      C-13-H3C(O)CH3
  728211.1445  0.0103 -4.1613 3  902.4035572  59516140471 566 3    70 665 3      C-13-H3C(O)CH3
  728225.0535  0.0180 -3.9122 3  902.4329B44  59516140471 666 1    70 565 1      C-13-H3C(O)CH3
  728225.0535  0.0180 -4.7947 3  902.4329B44  59516140471 666 1    70 665 1      C-13-H3C(O)CH3
  728225.0535  0.0180 -4.7947 3  902.4329B44  59516140471 566 1    70 565 1      C-13-H3C(O)CH3
  728225.0535  0.0180 -3.9122 3  902.4329B44  59516140471 566 1    70 665 1      C-13-H3C(O)CH3
  728225.2987  0.0178 -5.3068 3  902.4327B44  59516140471 666 2    70 565 2      C-13-H3C(O)CH3
  728225.2987  0.0178 -3.8744 3  902.4327B44  59516140471 566 2    70 565 2      C-13-H3C(O)CH3
  728225.2987  0.0178 -5.3068 3  902.4327B44  59516140471 566 2    70 665 2      C-13-H3C(O)CH3
  728225.2987  0.0178 -3.8744 3  902.4327B44  59516140471 666 2    70 665 2      C-13-H3C(O)CH3
  728238.8038  0.0102 -4.0148 3  902.4619B44 -59516140471 666 0    70 665 0      C-13-H3C(O)CH3
  728238.8038  0.0102 -4.0148 3  902.4619B44 -59516140471 566 0    70 565 0      C-13-H3C(O)CH3
  728239.2061  0.0102 -4.3788 3  902.4619B44  59516140471 666 0    70 565 0      C-13-H3C(O)CH3
  728239.2061  0.0102 -4.3788 3  902.4619B44  59516140471 566 0    70 665 0      C-13-H3C(O)CH3
  728239.7314  0.0082 -5.5611 3  171.6658424  595161404261710 2    251213 2      C-13-H3C(O)CH3
  728249.5918  0.0291 -4.1298 3  499.6259348  595161404432717 3    422616 3      C-13-H3C(O)CH3
  728273.2426  0.0300 -4.0252 3  593.6586760  595161404472820 1    462719 1      C-13-H3C(O)CH3
  728312.6975  0.2784 -6.0282 3 1304.8721A96  595161404684722 1    674820 1      C-13-H3C(O)CH3
  728389.0714  0.1773 -6.1466 3 1566.2188E96  59516140493 886 0    93 787 0      C-13-H3C(O)CH3
  728389.0714  0.1773 -6.1466 3 1566.2188E96  59516140493 786 0    93 687 0      C-13-H3C(O)CH3
  728409.4021  0.0060 -4.3065 3  272.2756268  595161404331617 3    321518 3      C-13-H3C(O)CH3
  728409.4422  0.0064 -4.3066 3  272.2755268  595161404331617 4    321518 4      C-13-H3C(O)CH3
  728448.9801  0.0088 -5.5598 3  171.6707424  595161404261710 0    251213 0      C-13-H3C(O)CH3
  728457.9577  0.0056 -4.0056 3  272.2952536  595161404331617 2    321518 2      C-13-H3C(O)CH3
  728478.1464  0.0063 -4.3065 3  272.2755268  595161404331717 4    321418 4      C-13-H3C(O)CH3
  728478.2858  0.0059 -4.3065 3  272.2755268  595161404331717 3    321418 3      C-13-H3C(O)CH3
  728494.2652  0.0055 -4.0056 3  272.2983536  595161404331617 1    321518 1      C-13-H3C(O)CH3
  728527.3580  0.0055 -4.0056 3  272.2951536  595161404331717 2    321418 2      C-13-H3C(O)CH3
  728539.2485  0.0052 -3.1665 3  429.4935600 -5951614043735 2 0    3634 3 0      C-13-H3C(O)CH3
  728539.2485  0.0052 -3.1665 3  429.4935600 -5951614043735 3 0    3634 2 0      C-13-H3C(O)CH3
  728542.7982  0.0052 -4.0056 3  272.3179536  595161404331617 0    321518 0      C-13-H3C(O)CH3
  728552.9575  0.0534 -4.0251 3  593.6459760  595161404472820 2    462719 2      C-13-H3C(O)CH3
  728561.2593  0.0055 -4.0055 3  272.2982536  595161404331717 1    321418 1      C-13-H3C(O)CH3
  728587.8118  0.0053 -3.1664 3  429.4350600 -5951614043735 3 2    3634 3 2      C-13-H3C(O)CH3
  728587.9942  0.2521 -6.2027 3 1566.1900E96  59516140493 786 1    93 687 1      C-13-H3C(O)CH3
  728610.3235  0.0052 -4.0056 3  272.3179536  595161404331717 0    321418 0      C-13-H3C(O)CH3
  728622.7714  0.0070 -3.9730 3  296.5962552  595161404341816 2    331717 2      C-13-H3C(O)CH3
  728630.9032  0.0081 -4.2739 3  296.5749276  595161404341816 3    331717 3      C-13-H3C(O)CH3
  728632.6790  0.0080 -4.2738 3  296.5749276  595161404341816 4    331717 4      C-13-H3C(O)CH3
  728671.4556  0.0134 -5.8793 3  863.1185A32  595161404641351 0    631350 0      C-13-H3C(O)CH3
  728671.4556  0.0134 -3.9101 3  863.1185A32  595161404641351 0    631450 0      C-13-H3C(O)CH3
  728671.4556  0.0134 -5.1107 3  863.1185A32  595161404641451 0    631450 0      C-13-H3C(O)CH3
  728671.4556  0.0134 -3.9335 3  863.1185A32  595161404641451 0    631350 0      C-13-H3C(O)CH3
  728671.4954  0.0056 -3.1663 3  429.4304600 -5951614043735 3 1    3634 3 1      C-13-H3C(O)CH3
  728679.1054  0.2167 -5.6552 3 1015.1449492  595161404613725 4    603822 4      C-13-H3C(O)CH3
  728693.2459  0.0061 -3.9731 3  296.6217552  595161404341816 0    331717 0      C-13-H3C(O)CH3
  728701.3768  0.0068 -3.9730 3  296.6004552  595161404341816 1    331717 1      C-13-H3C(O)CH3
  728702.4133  0.0216 -4.0856 3  863.1005A32  595161404641351 1    631350 1      C-13-H3C(O)CH3
  728702.4133  0.0216 -4.3745 3  863.1005A32  595161404641351 1    631450 1      C-13-H3C(O)CH3
  728702.4133  0.0216 -4.3745 3  863.1005A32  595161404641451 1    631350 1      C-13-H3C(O)CH3
  728702.4133  0.0216 -4.0856 3  863.1005A32  595161404641451 1    631450 1      C-13-H3C(O)CH3
  728702.7757  0.0213 -3.9059 3  863.1002A32  595161404641351 2    631450 2      C-13-H3C(O)CH3
  728702.7757  0.0213 -3.9059 3  863.1002A32  595161404641451 2    631350 2      C-13-H3C(O)CH3
  728720.2359  0.0081 -3.4672 3  429.3720300  5951614043735 3 4    3634 3 4      C-13-H3C(O)CH3
  728727.4714  0.0056 -3.1663 3  429.4675600 -5951614043735 2 2    3634 2 2      C-13-H3C(O)CH3
  728733.7681  0.0192 -4.3711 3  863.0822516  595161404641351 3    631350 3      C-13-H3C(O)CH3
  728733.7681  0.0192 -4.7073 3  863.0822516  595161404641351 3    631450 3      C-13-H3C(O)CH3
  728733.7681  0.0192 -4.7073 3  863.0822516  595161404641451 3    631350 3      C-13-H3C(O)CH3
  728733.7681  0.0192 -4.3711 3  863.0822516  595161404641451 3    631450 3      C-13-H3C(O)CH3
  728733.8065  0.0192 -5.6536 3  863.0821516  595161404641351 4    631350 4      C-13-H3C(O)CH3
  728733.8065  0.0192 -4.2222 3  863.0821516  595161404641451 4    631350 4      C-13-H3C(O)CH3
  728733.8065  0.0192 -4.2222 3  863.0821516  595161404641351 4    631450 4      C-13-H3C(O)CH3
  728733.8065  0.0192 -5.6536 3  863.0821516  595161404641451 4    631450 4      C-13-H3C(O)CH3
  728758.9869  0.3178 -5.8871 3 1145.9614A48  595161404653828 0    643925 0      C-13-H3C(O)CH3
  728790.7044  0.0055 -3.1662 3  429.4863600 -5951614043735 2 1    3634 2 1      C-13-H3C(O)CH3
  728816.6209  0.0128 -3.9486 3  741.9700872  595161404542430 0    532529 0      C-13-H3C(O)CH3
  728816.6394  0.0128 -3.9486 3  741.9700872  595161404542530 0    532429 0      C-13-H3C(O)CH3
  728838.8146  0.0076 -3.4671 3  429.4279300  5951614043735 2 3    3634 2 3      C-13-H3C(O)CH3
  728843.9035  0.0118 -3.9610 3  725.1715856  595161404532528 0    522627 0      C-13-H3C(O)CH3
  728844.8936  0.0118 -3.9610 3  725.1715856  595161404532628 0    522527 0      C-13-H3C(O)CH3
  728845.4148  0.1328 -5.6451 3 1015.1399492  595161404613725 3    603822 3      C-13-H3C(O)CH3
  728857.7965  0.4659 -5.8802 3 1057.0493500  595161404623924 4    614021 4      C-13-H3C(O)CH3
  728859.2057  0.0079 -3.4670 3  429.4045300  5951614043735 3 3    3634 3 3      C-13-H3C(O)CH3
  728866.4861  0.0143 -3.9487 3  741.9653872  595161404542430 1    532529 1      C-13-H3C(O)CH3
  728866.5077  0.0143 -3.9487 3  741.9653872  595161404542530 1    532429 1      C-13-H3C(O)CH3
  728872.1110  0.0154 -3.9486 3  741.9649872  595161404542430 2    532529 2      C-13-H3C(O)CH3
  728872.1322  0.0154 -3.9486 3  741.9649872  595161404542530 2    532429 2      C-13-H3C(O)CH3
  728895.9835  0.0133 -3.9611 3  725.1662856  595161404532528 1    522627 1      C-13-H3C(O)CH3
  728897.0761  0.0133 -3.9611 3  725.1661856  595161404532628 1    522527 1      C-13-H3C(O)CH3
  728900.9227  0.0492 -4.3259 3  593.6230380  595161404472820 4    462719 4      C-13-H3C(O)CH3
  728903.9619  0.0145 -3.9611 3  725.1654856  595161404532528 2    522627 2      C-13-H3C(O)CH3
  728905.0555  0.0145 -3.9611 3  725.1654856  595161404532628 2    522527 2      C-13-H3C(O)CH3
  728911.7394  0.0066 -5.1119 3  457.8675664  595161404412714 1    402614 1      C-13-H3C(O)CH3
  728922.0419  0.0172 -4.2497 3  741.9602436  595161404542430 3    532529 3      C-13-H3C(O)CH3
  728922.0664  0.0172 -4.2497 3  741.9602436  595161404542530 3    532429 3      C-13-H3C(O)CH3
  728922.1413  0.0172 -4.2497 3  741.9602436  595161404542430 4    532529 4      C-13-H3C(O)CH3
  728922.1657  0.0172 -4.2497 3  741.9602436  595161404542530 4    532429 4      C-13-H3C(O)CH3
  728923.3723  0.0497 -4.3258 3  593.6226380  595161404472820 3    462719 3      C-13-H3C(O)CH3
  728956.1066  0.0162 -4.2622 3  725.1601428  595161404532528 3    522627 3      C-13-H3C(O)CH3
  728956.2141  0.0162 -4.2622 3  725.1601428  595161404532528 4    522627 4      C-13-H3C(O)CH3
  728957.3137  0.0162 -4.2622 3  725.1600428  595161404532628 3    522527 3      C-13-H3C(O)CH3
  728957.4146  0.0162 -4.2622 3  725.1600428  595161404532628 4    522527 4      C-13-H3C(O)CH3
  728978.2568  0.0079 -3.4670 3  429.4604300  5951614043735 2 4    3634 2 4      C-13-H3C(O)CH3
  729046.8145  0.1165 -5.3486 3 1015.1190984  595161404613725 1    603822 1      C-13-H3C(O)CH3
  729058.8324  0.0093 -4.6007 3  457.8700664  595161404412714 2    402614 2      C-13-H3C(O)CH3
  729059.2531  0.1654 -5.3486 3 1015.1190984  595161404613725 2    603822 2      C-13-H3C(O)CH3
  729067.4977  0.0074 -5.5245 3  457.8518332  595161404412714 3    402614 3      C-13-H3C(O)CH3
  729135.2640  0.3325 -6.0736 3 1510.3105E80  59516140492 786 1    92 587 1      C-13-H3C(O)CH3
  729135.2640  0.3325 -6.0736 3 1510.3105E80  59516140492 686 1    92 687 1      C-13-H3C(O)CH3
  729135.6221  0.3187 -6.0966 3 1510.3104E80  59516140492 686 2    92 687 2      C-13-H3C(O)CH3
  729135.6221  0.3187 -6.0966 3 1510.3104E80  59516140492 786 2    92 587 2      C-13-H3C(O)CH3
  729143.9519  0.0138 -3.9409 3  758.1121888 -595161404552432 0    542331 0      C-13-H3C(O)CH3
  729143.9519  0.0138 -3.9409 3  758.1121888 -595161404552332 0    542431 0      C-13-H3C(O)CH3
  729192.0578  0.0153 -3.9409 3  758.1077888  595161404552332 1    542431 1      C-13-H3C(O)CH3
  729192.0582  0.0153 -3.9409 3  758.1077888  595161404552432 1    542331 1      C-13-H3C(O)CH3
  729196.2091  0.0162 -3.9409 3  758.1075888  595161404552332 2    542431 2      C-13-H3C(O)CH3
  729196.2095  0.0162 -3.9409 3  758.1075888  595161404552432 2    542331 2      C-13-H3C(O)CH3
  729230.7143  0.4054 -5.8814 3 1145.9581A48  595161404653828 2    643925 2      C-13-H3C(O)CH3
  729232.0342  0.0128 -4.5994 3  457.8560332  595161404412714 4    402614 4      C-13-H3C(O)CH3
  729244.4456  0.0182 -4.2419 3  758.1031444  595161404552332 3    542431 3      C-13-H3C(O)CH3
  729244.4460  0.0182 -4.2419 3  758.1031444  595161404552432 3    542331 3      C-13-H3C(O)CH3
  729244.5407  0.0182 -4.2419 3  758.1031444  595161404552332 4    542431 4      C-13-H3C(O)CH3
  729244.5411  0.0182 -4.2419 3  758.1031444  595161404552432 4    542331 4      C-13-H3C(O)CH3
  729248.4746  0.0173 -4.4058 3  290.6676536  595161404332212 1    321913 1      C-13-H3C(O)CH3
  729257.4483  0.0065 -4.4969 3  218.4199252  595161404311120 4    301021 4      C-13-H3C(O)CH3
  729257.4499  0.0065 -4.4969 3  218.4199252  595161404311220 4    30 921 4      C-13-H3C(O)CH3
  729257.8360  0.0054 -4.4969 3  218.4199252  595161404311120 3    301021 3      C-13-H3C(O)CH3
  729257.8376  0.0054 -4.4969 3  218.4199252  595161404311220 3    30 921 3      C-13-H3C(O)CH3
  729317.5862  0.2953 -5.8797 3 1145.9526A48  595161404653828 1    643925 1      C-13-H3C(O)CH3
  729325.9249  0.2327 -5.7009 3 1057.0365500  595161404623924 3    614021 3      C-13-H3C(O)CH3
  729340.1795  0.0976 -5.3482 3 1015.0958984  595161404613725 0    603822 0      C-13-H3C(O)CH3
  729382.4047  0.0083 -4.4896 3  907.9080580  59516140472 568 4    71 567 4      C-13-H3C(O)CH3
  729382.4047  0.0083 -4.4250 3  907.9080580  59516140472 468 4    71 567 4      C-13-H3C(O)CH3
  729382.4047  0.0083 -4.4896 3  907.9080580  59516140472 468 4    71 467 4      C-13-H3C(O)CH3
  729382.4047  0.0083 -4.4250 3  907.9080580  59516140472 568 4    71 467 4      C-13-H3C(O)CH3
  729382.4466  0.0083 -4.2446 3  907.9080580  59516140472 568 3    71 567 3      C-13-H3C(O)CH3
  729382.4466  0.0083 -4.8848 3  907.9080580  59516140472 568 3    71 467 3      C-13-H3C(O)CH3
  729382.4466  0.0083 -4.8848 3  907.9080580  59516140472 468 3    71 567 3      C-13-H3C(O)CH3
  729382.4466  0.0083 -4.2446 3  907.9080580  59516140472 468 3    71 467 3      C-13-H3C(O)CH3
  729402.4623  0.0128 -4.0804 3  907.9321B60  59516140472 568 1    71 567 1      C-13-H3C(O)CH3
  729402.4623  0.0128 -4.0804 3  907.9321B60  59516140472 468 1    71 467 1      C-13-H3C(O)CH3
  729402.6315  0.0128 -3.8901 3  907.9318B60  59516140472 568 2    71 467 2      C-13-H3C(O)CH3
  729402.6315  0.0128 -4.9532 3  907.9318B60  59516140472 468 2    71 467 2      C-13-H3C(O)CH3
  729402.6664  0.0128 -3.9057 3  907.9318B60 -59516140472 468 2    71 567 2      C-13-H3C(O)CH3
  729402.6664  0.0128 -4.2453 3  907.9321B60 -59516140472 568 1    71 467 1      C-13-H3C(O)CH3
  729402.6664  0.0128 -4.8041 3  907.9318B60 -59516140472 568 2    71 567 2      C-13-H3C(O)CH3
  729402.6664  0.0128 -4.2453 3  907.9321B60 -59516140472 468 1    71 567 1      C-13-H3C(O)CH3
  729422.3578  0.0081 -3.9943 3  907.9558B60 -59516140472 468 0    71 467 0      C-13-H3C(O)CH3
  729422.3578  0.0081 -4.4132 3  907.9558B60 -59516140472 568 0    71 467 0      C-13-H3C(O)CH3
  729422.6362  0.0081 -4.4132 3  907.9558B60  59516140472 468 0    71 567 0      C-13-H3C(O)CH3
  729422.6362  0.0081 -3.9943 3  907.9558B60  59516140472 568 0    71 567 0      C-13-H3C(O)CH3
  729437.4905  0.0204 -4.7109 3  290.6404268  595161404332212 3    321913 3      C-13-H3C(O)CH3
  729462.6900  0.0210 -4.7063 3  290.6403268  595161404332212 4    321913 4      C-13-H3C(O)CH3
  729465.3093  0.0109 -3.9812 3  707.6641840  595161404522626 0    512725 0      C-13-H3C(O)CH3
  729472.7087  0.0050 -4.1956 3  218.4271504  595161404311120 2    301021 2      C-13-H3C(O)CH3
  729472.7103  0.0050 -4.1956 3  218.4271504  595161404311220 2    30 921 2      C-13-H3C(O)CH3
  729487.7705  0.0051 -4.1957 3  218.4285504  595161404311120 1    301021 1      C-13-H3C(O)CH3
  729487.7720  0.0051 -4.1957 3  218.4285504  595161404311220 1    30 921 1      C-13-H3C(O)CH3
  729504.5616  0.0108 -3.9812 3  707.6631840  595161404522726 0    512625 0      C-13-H3C(O)CH3
  729519.8119  0.0123 -3.9814 3  707.6577840  595161404522626 1    512725 1      C-13-H3C(O)CH3
  729524.7232  0.3417 -5.4768 3 1057.0017A00  595161404623924 2    614021 2      C-13-H3C(O)CH3
  729531.7787  0.0137 -3.9814 3  707.6564840  595161404522626 2    512725 2      C-13-H3C(O)CH3
  729561.6350  0.0122 -3.9813 3  707.6566840  595161404522726 1    512625 1      C-13-H3C(O)CH3
  729573.9639  0.0133 -3.9813 3  707.6553840  595161404522726 2    512625 2      C-13-H3C(O)CH3
  729575.7027  0.2377 -5.4713 3 1057.0011A00  595161404623924 1    614021 1      C-13-H3C(O)CH3
  729586.2591  0.0152 -4.2825 3  707.6499420  595161404522626 3    512725 3      C-13-H3C(O)CH3
  729586.4397  0.0152 -4.2825 3  707.6499420  595161404522626 4    512725 4      C-13-H3C(O)CH3
  729631.2190  0.0149 -4.2825 3  707.6487420  595161404522726 3    512625 3      C-13-H3C(O)CH3
  729631.2591  0.0149 -4.2825 3  707.6487420  595161404522726 4    512625 4      C-13-H3C(O)CH3
  729653.6506  0.0158 -4.4075 3  290.6780536  595161404332212 0    321913 0      C-13-H3C(O)CH3
  729687.5322  0.2211 -6.1381 3 1455.0383E64  59516140491 686 0    91 487 0      C-13-H3C(O)CH3
  729687.5322  0.2211 -6.1381 3 1455.0383E64  59516140491 586 0    91 587 0      C-13-H3C(O)CH3
  729689.0627  0.3868 -6.0357 3 1455.0047E64  59516140491 686 1    91 587 1      C-13-H3C(O)CH3
  729689.0627  0.3868 -6.0357 3 1455.0047E64  59516140491 586 1    91 487 1      C-13-H3C(O)CH3
  729691.7857  0.3791 -6.0391 3 1455.0045E64  59516140491 686 2    91 487 2      C-13-H3C(O)CH3
  729691.7857  0.3791 -6.0391 3 1455.0045E64  59516140491 586 2    91 587 2      C-13-H3C(O)CH3
  729695.0216  0.0146 -3.9362 3  773.6305904  595161404562234 0    552333 0      C-13-H3C(O)CH3
  729695.0216  0.0146 -3.9362 3  773.6305904  595161404562334 0    552233 0      C-13-H3C(O)CH3
  729702.2474  0.0050 -4.1953 3  218.4357504  595161404311120 0    301021 0      C-13-H3C(O)CH3
  729702.2489  0.0050 -4.1953 3  218.4357504  595161404311220 0    30 921 0      C-13-H3C(O)CH3
  729741.7813  0.0163 -3.9362 3  773.6261904  595161404562234 1    552333 1      C-13-H3C(O)CH3
  729741.7813  0.0163 -3.9362 3  773.6261904  595161404562334 1    552233 1      C-13-H3C(O)CH3
  729744.9435  0.0170 -3.9362 3  773.6259904  595161404562234 2    552333 2      C-13-H3C(O)CH3
  729744.9435  0.0170 -3.9362 3  773.6259904  595161404562334 2    552233 2      C-13-H3C(O)CH3
  729765.7267  0.0133 -4.0212 3  872.9621A48  595161404651253 0    641252 0      C-13-H3C(O)CH3
  729765.7267  0.0133 -4.5358 3  872.9621A48  595161404651253 0    641352 0      C-13-H3C(O)CH3
  729765.7267  0.0133 -4.5358 3  872.9621A48  595161404651353 0    641252 0      C-13-H3C(O)CH3
  729765.7267  0.0133 -4.0212 3  872.9621A48  595161404651353 0    641352 0      C-13-H3C(O)CH3
  729770.4833  0.3737 -6.1752 3 1145.9501524  595161404653828 4    643925 4      C-13-H3C(O)CH3
  729791.1797  0.3901 -6.1749 3 1145.9494524  595161404653828 3    643925 3      C-13-H3C(O)CH3
  729791.7626  0.0191 -4.2372 3  773.6215452  595161404562334 3    552233 3      C-13-H3C(O)CH3
  729791.7626  0.0191 -4.2372 3  773.6215452  595161404562234 3    552333 3      C-13-H3C(O)CH3
  729791.8536  0.0191 -4.2372 3  773.6215452  595161404562334 4    552233 4      C-13-H3C(O)CH3
  729791.8536  0.0191 -4.2372 3  773.6215452  595161404562234 4    552333 4      C-13-H3C(O)CH3
  729793.2963  0.0232 -3.9759 3  872.9416A48  595161404651253 1    641252 1      C-13-H3C(O)CH3
  729793.2963  0.0232 -4.7291 3  872.9416A48  595161404651353 1    641252 1      C-13-H3C(O)CH3
  729793.2963  0.0232 -3.9759 3  872.9416A48  595161404651353 1    641352 1      C-13-H3C(O)CH3
  729793.2963  0.0232 -4.7291 3  872.9416A48  595161404651253 1    641352 1      C-13-H3C(O)CH3
  729793.5753  0.0228 -4.3788 3  872.9413A48  595161404651253 2    641352 2      C-13-H3C(O)CH3
  729793.5753  0.0228 -4.0832 3  872.9413A48  595161404651253 2    641252 2      C-13-H3C(O)CH3
  729793.5753  0.0228 -4.3788 3  872.9413A48  595161404651353 2    641252 2      C-13-H3C(O)CH3
  729793.5753  0.0228 -4.0832 3  872.9413A48  595161404651353 2    641352 2      C-13-H3C(O)CH3
  729820.7938  0.0111 -5.7057 3  168.1067424  595161404261511 2    251214 2      C-13-H3C(O)CH3
  729821.1758  0.0187 -4.2740 3  872.9207524  595161404651353 3    641252 3      C-13-H3C(O)CH3
  729821.1758  0.0187 -5.0466 3  872.9207524  595161404651253 3    641252 3      C-13-H3C(O)CH3
  729821.1758  0.0187 -5.0466 3  872.9207524  595161404651353 3    641352 3      C-13-H3C(O)CH3
  729821.1758  0.0187 -4.2740 3  872.9207524  595161404651253 3    641352 3      C-13-H3C(O)CH3
  729821.2046  0.0187 -4.2068 3  872.9207524  595161404651353 4    641352 4      C-13-H3C(O)CH3
  729821.2046  0.0187 -4.2068 3  872.9207524  595161404651253 4    641252 4      C-13-H3C(O)CH3
  729865.2828  0.0169 -4.4095 3  290.6506536  595161404332212 2    321913 2      C-13-H3C(O)CH3
  729948.8259  0.0133 -6.0086 3  168.1065212  595161404261511 3    251214 3      C-13-H3C(O)CH3
  729965.2983  0.0164 -6.0087 3  168.1065212  595161404261511 4    251214 4      C-13-H3C(O)CH3
  730005.0780  0.0103 -5.7048 3  168.1098424  595161404261511 0    251214 0      C-13-H3C(O)CH3
  730066.0300  0.1774 -5.4000 3 1056.9581A00  595161404623924 0    614021 0      C-13-H3C(O)CH3
  730137.6914  0.0113 -5.7070 3  168.1096424  595161404261511 1    251214 1      C-13-H3C(O)CH3
  730159.6820  0.0070 -4.2729 3  296.5727276  595161404341916 4    331617 4      C-13-H3C(O)CH3
  730160.2631  0.0067 -4.2729 3  296.5727276  595161404341916 3    331617 3      C-13-H3C(O)CH3
  730162.3580  0.0063 -3.9721 3  296.5940552  595161404341916 2    331617 2      C-13-H3C(O)CH3
  730201.3028  0.0061 -3.9720 3  296.5983552  595161404341916 1    331617 1      C-13-H3C(O)CH3
  730203.5750  0.0058 -3.9722 3  296.6195552  595161404341916 0    331617 0      C-13-H3C(O)CH3
  730254.7973  0.3784 -6.0279 3 1400.2726E48  59516140490 586 1    90 387 1      C-13-H3C(O)CH3
  730254.7973  0.3784 -6.0279 3 1400.2726E48  59516140490 486 1    90 487 1      C-13-H3C(O)CH3
  730259.3952  0.3768 -6.0605 3 1400.2722E48  59516140490 586 2    90 487 2      C-13-H3C(O)CH3
  730259.3952  0.3768 -6.0605 3 1400.2722E48  59516140490 486 2    90 387 2      C-13-H3C(O)CH3
  730296.5661  0.0043 -3.2327 3  433.6571616 -5951614043833 5 0    3732 6 0      C-13-H3C(O)CH3
  730296.5661  0.0043 -3.2327 3  433.6571616 -5951614043833 6 0    3732 5 0      C-13-H3C(O)CH3
  730334.2411  0.1869 -6.1704 3 1057.0001500  595161404623924 4    614022 4      C-13-H3C(O)CH3
  730335.9911  0.0047 -3.2327 3  433.6217616 -5951614043833 6 2    3732 6 2      C-13-H3C(O)CH3
  730373.2280  0.0047 -3.2326 3  433.6050616 -5951614043833 6 1    3732 6 1      C-13-H3C(O)CH3
  730395.6619  0.0153 -4.9398 3  788.5469920  595161404572236 0    562135 0      C-13-H3C(O)CH3
  730395.6619  0.0153 -3.9786 3  788.5469920  595161404572136 0    562135 0      C-13-H3C(O)CH3
  730395.6619  0.0153 -4.9398 3  788.5469920  595161404572136 0    562235 0      C-13-H3C(O)CH3
  730395.6619  0.0153 -3.9786 3  788.5469920  595161404572236 0    562235 0      C-13-H3C(O)CH3
  730413.4638  0.0065 -3.5337 3  433.5695308  5951614043833 6 4    3732 6 4      C-13-H3C(O)CH3
  730427.9335  0.0048 -3.2326 3  433.6390616 -5951614043833 5 2    3732 5 2      C-13-H3C(O)CH3
  730441.1484  0.0172 -5.0429 3  788.5422920  595161404572136 1    562235 1      C-13-H3C(O)CH3
  730441.1484  0.0172 -3.9733 3  788.5422920  595161404572136 1    562135 1      C-13-H3C(O)CH3
  730441.1484  0.0172 -3.9687 3  788.5422920  595161404572236 1    562235 1      C-13-H3C(O)CH3
  730441.1484  0.0172 -4.9915 3  788.5422920  595161404572236 1    562135 1      C-13-H3C(O)CH3
  730443.5521  0.2181 -6.1687 3 1400.2996E48  59516140490 586 0    90 387 0      C-13-H3C(O)CH3
  730443.5521  0.2181 -6.1687 3 1400.2996E48  59516140490 486 0    90 487 0      C-13-H3C(O)CH3
  730443.6095  0.0177 -5.8139 3  788.5421920  595161404572236 2    562135 2      C-13-H3C(O)CH3
  730443.6095  0.0177 -3.9393 3  788.5421920  595161404572236 2    562235 2      C-13-H3C(O)CH3
  730443.6095  0.0177 -5.8139 3  788.5421920  595161404572136 2    562235 2      C-13-H3C(O)CH3
  730443.6095  0.0177 -3.9393 3  788.5421920  595161404572136 2    562135 2      C-13-H3C(O)CH3
  730489.1525  0.0199 -4.2955 3  788.5373460  595161404572136 3    562235 3      C-13-H3C(O)CH3
  730489.1525  0.0199 -5.0101 3  788.5373460  595161404572136 3    562135 3      C-13-H3C(O)CH3
  730489.1525  0.0199 -5.1174 3  788.5373460  595161404572236 3    562235 3      C-13-H3C(O)CH3
  730489.1525  0.0199 -4.3142 3  788.5373460  595161404572236 3    562135 3      C-13-H3C(O)CH3
  730489.2394  0.0199 -4.2363 3  788.5373460  595161404572136 4    562135 4      C-13-H3C(O)CH3
  730489.2394  0.0199 -4.2383 3  788.5373460  595161404572236 4    562235 4      C-13-H3C(O)CH3
  730498.1445  0.0048 -3.2324 3  433.6403616 -5951614043833 5 1    3732 5 1      C-13-H3C(O)CH3
  730504.7432  0.0067 -3.5335 3  433.5869308  5951614043833 6 3    3732 6 3      C-13-H3C(O)CH3
  730514.0067  0.1825 -6.1890 3 1056.9687A00  595161404623924 2    614022 2      C-13-H3C(O)CH3
  730533.0956  0.1824 -6.2176 3 1056.9692A00  595161404623924 1    614022 1      C-13-H3C(O)CH3
  730537.9840  0.0066 -3.5335 3  433.6049308  5951614043833 5 3    3732 5 3      C-13-H3C(O)CH3
  730564.4171  0.0064 -4.1852 3  912.8823588 -59516140473 470 4    72 369 4      C-13-H3C(O)CH3
  730564.4171  0.0064 -4.9021 3  912.8822588 -59516140473 470 3    72 469 3      C-13-H3C(O)CH3
  730564.4171  0.0064 -4.2343 3  912.8822588 -59516140473 370 3    72 469 3      C-13-H3C(O)CH3
  730564.4171  0.0064 -5.2565 3  912.8823588 -59516140473 370 4    72 369 4      C-13-H3C(O)CH3
  730564.4773  0.0064 -5.2565 3  912.8823588  59516140473 470 4    72 469 4      C-13-H3C(O)CH3
  730564.4773  0.0064 -4.1852 3  912.8823588  59516140473 370 4    72 469 4      C-13-H3C(O)CH3
  730564.5033  0.0064 -4.2343 3  912.8822588  59516140473 470 3    72 369 3      C-13-H3C(O)CH3
  730564.5033  0.0064 -4.9021 3  912.8822588  59516140473 370 3    72 369 3      C-13-H3C(O)CH3
  730588.7192  0.0088 -4.3504 3  912.8968B76  59516140473 470 1    72 469 1      C-13-H3C(O)CH3
  730588.7192  0.0088 -4.0131 3  912.8968B76  59516140473 370 1    72 469 1      C-13-H3C(O)CH3
  730588.7689  0.0091 -4.1234 3  912.8964B76  59516140473 370 2    72 469 2      C-13-H3C(O)CH3
  730588.7689  0.0091 -4.1779 3  912.8964B76  59516140473 470 2    72 469 2      C-13-H3C(O)CH3
  730588.8739  0.0091 -4.1779 3  912.8964B76 -59516140473 370 2    72 369 2      C-13-H3C(O)CH3
  730588.8739  0.0088 -4.0131 3  912.8968B76 -59516140473 470 1    72 369 1      C-13-H3C(O)CH3
  730588.8739  0.0088 -4.3504 3  912.8968B76 -59516140473 370 1    72 369 1      C-13-H3C(O)CH3
  730588.8739  0.0091 -4.1234 3  912.8964B76 -59516140473 470 2    72 369 2      C-13-H3C(O)CH3
  730612.8514  0.0066 -4.4695 3  912.9109B76 -59516140473 370 0    72 369 0      C-13-H3C(O)CH3
  730612.8514  0.0066 -3.9677 3  912.9109B76 -59516140473 470 0    72 369 0      C-13-H3C(O)CH3
  730612.9603  0.0066 -4.4695 3  912.9109B76  59516140473 470 0    72 469 0      C-13-H3C(O)CH3
  730612.9603  0.0066 -3.9677 3  912.9109B76  59516140473 370 0    72 469 0      C-13-H3C(O)CH3
  730628.9956  0.0070 -3.5334 3  433.6221308  5951614043833 5 4    3732 5 4      C-13-H3C(O)CH3
  730647.9345  0.0103 -3.7191 3  478.3718680 -595161404422716 0    412615 0      C-13-H3C(O)CH3
  730732.5916  0.0098 -3.7210 3  478.3553680  595161404422716 1    412615 1      C-13-H3C(O)CH3
  730811.0199  0.0118 -4.0170 3  689.3627824  595161404512724 0    502823 0      C-13-H3C(O)CH3
  730838.8472  0.2889 -6.1910 3 1346.1141E32  59516140489 486 1    89 387 1      C-13-H3C(O)CH3
  730838.8472  0.2889 -6.1910 3 1346.1141E32  59516140489 386 1    89 287 1      C-13-H3C(O)CH3
  730843.3094  0.2948 -6.0317 3 1346.1136E32  59516140489 386 2    89 287 2      C-13-H3C(O)CH3
  730843.3094  0.2948 -6.0317 3 1346.1136E32  59516140489 486 2    89 387 2      C-13-H3C(O)CH3
  730853.1523  0.0127 -4.0172 3  689.3547824  595161404512724 1    502823 1      C-13-H3C(O)CH3
  730868.1182  0.0158 -4.0173 3  689.3525824  595161404512724 2    502823 2      C-13-H3C(O)CH3
  730875.0537  0.0135 -3.9951 3  882.2635A64  595161404661255 0    651154 0      C-13-H3C(O)CH3
  730875.0537  0.0135 -3.9951 3  882.2635A64  595161404661155 0    651254 0      C-13-H3C(O)CH3
  730875.0537  0.0135 -4.6314 3  882.2635A64  595161404661155 0    651154 0      C-13-H3C(O)CH3
  730875.0537  0.0135 -4.6314 3  882.2635A64  595161404661255 0    651254 0      C-13-H3C(O)CH3
  730883.0956  0.0119 -4.0356 3  478.3353340  595161404422716 4    412615 4      C-13-H3C(O)CH3
  730893.4896  0.0123 -3.7248 3  478.3509680  595161404422716 2    412615 2      C-13-H3C(O)CH3
  730898.6233  0.0249 -5.0504 3  882.2403A64  595161404661255 1    651154 1      C-13-H3C(O)CH3
  730898.6233  0.0249 -3.9370 3  882.2403A64  595161404661255 1    651254 1      C-13-H3C(O)CH3
  730898.6233  0.0249 -5.0504 3  882.2403A64  595161404661155 1    651254 1      C-13-H3C(O)CH3
  730898.6233  0.0249 -3.9370 3  882.2403A64  595161404661155 1    651154 1      C-13-H3C(O)CH3
  730898.8517  0.0244 -4.2548 3  882.2401A64  595161404661255 2    651254 2      C-13-H3C(O)CH3
  730898.8517  0.0244 -4.1618 3  882.2401A64  595161404661255 2    651154 2      C-13-H3C(O)CH3
  730898.8517  0.0244 -4.2548 3  882.2401A64  595161404661155 2    651154 2      C-13-H3C(O)CH3
  730898.8517  0.0244 -4.1618 3  882.2401A64  595161404661155 2    651254 2      C-13-H3C(O)CH3
  730909.0893  0.0166 -4.3186 3  689.3444412  595161404512724 3    502823 3      C-13-H3C(O)CH3
  730910.3184  0.0166 -4.3186 3  689.3444412  595161404512724 4    502823 4      C-13-H3C(O)CH3
  730922.4484  0.0181 -5.7771 3  882.2169532  595161404661155 3    651254 3      C-13-H3C(O)CH3
  730922.4484  0.0181 -4.2176 3  882.2169532  595161404661255 3    651254 3      C-13-H3C(O)CH3
  730922.4484  0.0181 -5.7771 3  882.2169532  595161404661255 3    651154 3      C-13-H3C(O)CH3
  730922.4484  0.0181 -4.2176 3  882.2169532  595161404661155 3    651154 3      C-13-H3C(O)CH3
  730922.4663  0.0181 -5.3447 3  882.2168532  595161404661255 4    651254 4      C-13-H3C(O)CH3
  730922.4663  0.0181 -4.2385 3  882.2168532  595161404661155 4    651254 4      C-13-H3C(O)CH3
  730922.4663  0.0181 -4.2385 3  882.2168532  595161404661255 4    651154 4      C-13-H3C(O)CH3
  730922.4663  0.0181 -5.3447 3  882.2168532  595161404661155 4    651154 4      C-13-H3C(O)CH3
  731034.3468  0.0183 -3.8000 3  430.0738648  595161404402515 2    392416 2      C-13-H3C(O)CH3
  731044.2383  0.0874 -5.7833 3 1045.6720500  595161404623726 4    613823 4      C-13-H3C(O)CH3
  731047.6827  0.0761 -5.4886 3 1045.6492A00  595161404623726 0    613823 0      C-13-H3C(O)CH3
  731056.5215  0.0218 -4.1003 3  430.0544324  595161404402515 3    392416 3      C-13-H3C(O)CH3
  731057.2636  0.0813 -5.4847 3 1045.6597A00  595161404623726 1    613823 1      C-13-H3C(O)CH3
  731070.9551  0.0159 -4.0195 3  478.3335340  595161404422716 3    412615 3      C-13-H3C(O)CH3
  731079.3563  0.0699 -5.4850 3 1045.6601A00  595161404623726 2    613823 2      C-13-H3C(O)CH3
  731085.6151  0.0189 -4.1012 3  430.0539324  595161404402515 4    392416 4      C-13-H3C(O)CH3
  731117.2215  0.0654 -5.7813 3 1045.6698500  595161404623726 3    613823 3      C-13-H3C(O)CH3
  731167.8848  0.2605 -6.1068 3 1216.1954532  595161404664422 4    654520 4      C-13-H3C(O)CH3
  731173.8591  0.0109 -3.8017 3  430.0970648  595161404402515 0    392416 0      C-13-H3C(O)CH3
  731200.5217  0.0159 -3.9323 3  802.8766936  595161404582038 0    572137 0      C-13-H3C(O)CH3
  731200.5217  0.0159 -3.9327 3  802.8766936  595161404582138 0    572037 0      C-13-H3C(O)CH3
  731208.2596  0.0117 -3.8015 3  430.0775648  595161404402515 1    392416 1      C-13-H3C(O)CH3
  731244.7924  0.0179 -5.0542 3  802.8712936  595161404582038 1    572037 1      C-13-H3C(O)CH3
  731244.7924  0.0179 -3.9664 3  802.8712936  595161404582138 1    572037 1      C-13-H3C(O)CH3
  731244.7924  0.0179 -3.9664 3  802.8712936  595161404582038 1    572137 1      C-13-H3C(O)CH3
  731244.7924  0.0179 -5.0542 3  802.8712936  595161404582138 1    572137 1      C-13-H3C(O)CH3
  731246.7331  0.0183 -3.9679 3  802.8711936  595161404582138 2    572037 2      C-13-H3C(O)CH3
  731246.7331  0.0183 -5.0362 3  802.8711936  595161404582038 2    572037 2      C-13-H3C(O)CH3
  731246.7331  0.0183 -3.9679 3  802.8711936  595161404582038 2    572137 2      C-13-H3C(O)CH3
  731246.7331  0.0183 -5.0362 3  802.8711936  595161404582138 2    572137 2      C-13-H3C(O)CH3
  731291.0576  0.0205 -4.7849 3  802.8658468  595161404582138 3    572037 3      C-13-H3C(O)CH3
  731291.0576  0.0205 -4.7849 3  802.8658468  595161404582038 3    572137 3      C-13-H3C(O)CH3
  731291.0576  0.0205 -4.3764 3  802.8658468  595161404582038 3    572037 3      C-13-H3C(O)CH3
  731291.0576  0.0205 -4.3764 3  802.8658468  595161404582138 3    572137 3      C-13-H3C(O)CH3
  731291.1404  0.0205 -5.6861 3  802.8658468  595161404582138 4    572037 4      C-13-H3C(O)CH3
  731291.1404  0.0205 -4.2489 3  802.8658468  595161404582138 4    572137 4      C-13-H3C(O)CH3
  731291.1404  0.0205 -5.6861 3  802.8658468  595161404582038 4    572137 4      C-13-H3C(O)CH3
  731291.1404  0.0205 -4.2489 3  802.8658468  595161404582038 4    572037 4      C-13-H3C(O)CH3
  731298.7826  0.1768 -6.0410 3 1346.1251E32  59516140489 486 0    89 387 0      C-13-H3C(O)CH3
  731298.7826  0.1768 -6.0410 3 1346.1251E32  59516140489 386 0    89 287 0      C-13-H3C(O)CH3
  731353.5495  0.2636 -5.8528 3 1216.1433A64  595161404664422 2    654520 2      C-13-H3C(O)CH3
  731444.6267  0.2926 -5.8467 3 1216.1451A64  595161404664422 1    654520 1      C-13-H3C(O)CH3
  731448.6518  0.2146 -6.0925 3 1292.5289E16  59516140488 286 1    88 187 1      C-13-H3C(O)CH3
  731448.6518  0.2146 -6.0925 3 1292.5289E16  59516140488 386 1    88 287 1      C-13-H3C(O)CH3
  731448.8399  0.2369 -6.1899 3 1292.5284E16  59516140488 386 2    88 187 2      C-13-H3C(O)CH3
  731448.8399  0.2369 -6.1899 3 1292.5284E16  59516140488 286 2    88 287 2      C-13-H3C(O)CH3
  731519.9230  0.0087 -4.5967 3  457.6685332  595161404412715 4    402615 4      C-13-H3C(O)CH3
  731525.7606  0.0053 -5.1094 3  457.6862664  595161404412715 1    402615 1      C-13-H3C(O)CH3
  731539.0024  0.3093 -5.7849 3 1216.0931A64  595161404664423 0    654520 0      C-13-H3C(O)CH3
  731543.5426  0.0066 -4.5976 3  457.6877664  595161404412715 2    402615 2      C-13-H3C(O)CH3
  731658.2403  0.3104 -5.7848 3 1216.0930A64  595161404664422 0    654521 0      C-13-H3C(O)CH3
  731682.1771  0.0058 -5.5206 3  457.6728332  595161404412715 3    402615 3      C-13-H3C(O)CH3
  731691.4342  0.2782 -5.8527 3 1216.1266A64  595161404664423 2    654521 2      C-13-H3C(O)CH3
  731699.5866  0.0040 -3.3157 3  439.5566632 -5951614043931 9 0    3830 8 0      C-13-H3C(O)CH3
  731699.5866  0.0040 -3.3157 3  439.5566632 -5951614043931 8 0    3830 9 0      C-13-H3C(O)CH3
  731746.3178  0.0048 -3.3158 3  439.5180632 -5951614043931 9 1    3830 9 1      C-13-H3C(O)CH3
  731758.5383  0.0056 -4.5504 3  917.3285596  59516140474 372 4    73 371 4      C-13-H3C(O)CH3
  731758.5383  0.0056 -4.3600 3  917.3285596  59516140474 272 4    73 371 4      C-13-H3C(O)CH3
  731758.5393  0.0056 -4.1439 3  917.3284596  59516140474 372 3    73 271 3      C-13-H3C(O)CH3
  731759.1792  0.0056 -4.3600 3  917.3285596 -59516140474 372 4    73 271 4      C-13-H3C(O)CH3
  731759.1792  0.0056 -4.5504 3  917.3285596 -59516140474 272 4    73 271 4      C-13-H3C(O)CH3
  731759.1792  0.0056 -4.1439 3  917.3284596 -59516140474 272 3    73 371 3      C-13-H3C(O)CH3
  731759.1792  0.0047 -3.3157 3  439.5360632 -5951614043931 9 2    3830 9 2      C-13-H3C(O)CH3
  731781.4792  0.0085 -6.1557 3  187.9977244  59516140430 822 4    29 723 4      C-13-H3C(O)CH3
  731781.4792  0.0085 -4.7244 3  187.9977244  59516140430 822 4    29 623 4      C-13-H3C(O)CH3
  731781.4792  0.0085 -6.1556 3  187.9977244  59516140430 922 4    29 623 4      C-13-H3C(O)CH3
  731781.4792  0.0085 -4.7244 3  187.9977244  59516140430 922 4    29 723 4      C-13-H3C(O)CH3
  731781.8126  0.0070 -4.7092 3  187.9977244  59516140430 822 3    29 623 3      C-13-H3C(O)CH3
  731781.8126  0.0070 -4.7092 3  187.9977244  59516140430 922 3    29 723 3      C-13-H3C(O)CH3
  731783.2864  0.0097 -3.8430 3  917.3267B92 -59516140474 372 2    73 271 2      C-13-H3C(O)CH3
  731783.2864  0.0097 -3.8430 3  917.3267B92 -59516140474 272 2    73 371 2      C-13-H3C(O)CH3
  731783.2864  0.0089 -4.1030 3  917.3271B92 -59516140474 372 1    73 371 1      C-13-H3C(O)CH3
  731783.2864  0.0089 -4.0616 3  917.3271B92 -59516140474 272 1    73 271 1      C-13-H3C(O)CH3
  731783.2864  0.0089 -4.1889 3  917.3271B92 -59516140474 372 1    73 271 1      C-13-H3C(O)CH3
  731783.2864  0.0089 -4.2454 3  917.3271B92 -59516140474 272 1    73 371 1      C-13-H3C(O)CH3
  731807.1037  0.0063 -3.6168 3  439.4972316  5951614043931 9 4    3830 9 4      C-13-H3C(O)CH3
  731807.8595  0.0065 -3.8588 3  917.3254B92 -59516140474 372 0    73 271 0      C-13-H3C(O)CH3
  731807.8595  0.0065 -5.2841 3  917.3254B92 -59516140474 272 0    73 271 0      C-13-H3C(O)CH3
  731807.9182  0.0065 -5.2841 3  917.3254B92  59516140474 372 0    73 371 0      C-13-H3C(O)CH3
  731807.9182  0.0065 -3.8588 3  917.3254B92  59516140474 272 0    73 371 0      C-13-H3C(O)CH3
  731810.5996  0.0045 -3.3158 3  439.5529632 -5951614043931 8 2    3830 8 2      C-13-H3C(O)CH3
  731858.1677  0.0061 -3.6169 3  439.5142316  5951614043931 9 3    3830 9 3      C-13-H3C(O)CH3
  731860.0151  0.0045 -3.3156 3  439.5399632 -5951614043931 8 1    3830 8 1      C-13-H3C(O)CH3
  731865.2243  0.3224 -5.8465 3 1216.1254A64  595161404664423 1    654521 1      C-13-H3C(O)CH3
  731898.0508  0.0107 -4.0154 3  689.3351824  595161404512824 0    502723 0      C-13-H3C(O)CH3
  731920.9263  0.0060 -3.6166 3  439.5193316  5951614043931 8 3    3830 8 3      C-13-H3C(O)CH3
  731971.1959  0.0063 -3.6167 3  439.5362316  5951614043931 8 4    3830 8 4      C-13-H3C(O)CH3
  731984.1682  0.0114 -4.0156 3  689.3260824  595161404512824 1    502723 1      C-13-H3C(O)CH3
  731990.8053  0.2520 -6.1064 3 1216.1590532  595161404664423 4    654521 4      C-13-H3C(O)CH3
  731998.0125  0.0138 -4.8043 3  891.0243A80  595161404671157 0    661156 0      C-13-H3C(O)CH3
  731998.0125  0.0138 -3.9623 3  891.0243A80  595161404671157 0    661056 0      C-13-H3C(O)CH3
  731998.0125  0.0138 -4.8043 3  891.0243A80  595161404671057 0    661056 0      C-13-H3C(O)CH3
  731998.0125  0.0138 -3.9623 3  891.0243A80  595161404671057 0    661156 0      C-13-H3C(O)CH3
  732011.3535  0.0111 -4.0156 3  689.3235824  595161404512824 2    502723 2      C-13-H3C(O)CH3
  732016.9046  0.0265 -4.0058 3  890.9984A80  595161404671057 1    661056 1      C-13-H3C(O)CH3
  732016.9046  0.0265 -4.0058 3  890.9984A80  595161404671157 1    661156 1      C-13-H3C(O)CH3
  732016.9046  0.0265 -4.5834 3  890.9984A80  595161404671057 1    661156 1      C-13-H3C(O)CH3
  732016.9046  0.0265 -4.5834 3  890.9984A80  595161404671157 1    661056 1      C-13-H3C(O)CH3
  732017.1123  0.0260 -4.5139 3  890.9982A80  595161404671057 2    661056 2      C-13-H3C(O)CH3
  732017.1123  0.0260 -4.0262 3  890.9982A80  595161404671057 2    661156 2      C-13-H3C(O)CH3
  732017.1123  0.0260 -4.5139 3  890.9982A80  595161404671157 2    661156 2      C-13-H3C(O)CH3
  732017.1123  0.0260 -4.0262 3  890.9982A80  595161404671157 2    661056 2      C-13-H3C(O)CH3
  732036.0274  0.0175 -4.6070 3  890.9723540  595161404671057 3    661156 3      C-13-H3C(O)CH3
  732036.0274  0.0175 -4.4239 3  890.9723540  595161404671157 3    661156 3      C-13-H3C(O)CH3
  732036.0274  0.0175 -4.6070 3  890.9723540  595161404671157 3    661056 3      C-13-H3C(O)CH3
  732036.0274  0.0175 -4.4239 3  890.9723540  595161404671057 3    661056 3      C-13-H3C(O)CH3
  732036.0335  0.0175 -4.3432 3  890.9723540  595161404671057 4    661056 4      C-13-H3C(O)CH3
  732036.0335  0.0175 -4.7691 3  890.9723540  595161404671157 4    661056 4      C-13-H3C(O)CH3
  732036.0335  0.0175 -4.3432 3  890.9723540  595161404671157 4    661156 4      C-13-H3C(O)CH3
  732036.0335  0.0175 -4.7691 3  890.9723540  595161404671057 4    661156 4      C-13-H3C(O)CH3
  732080.6165  0.0162 -6.1101 3  816.6306952  595161404591940 0    582039 0      C-13-H3C(O)CH3
  732080.6165  0.0162 -3.9349 3  816.6306952  595161404591940 0    581939 0      C-13-H3C(O)CH3
  732080.6165  0.0162 -6.1101 3  816.6306952  595161404592040 0    581939 0      C-13-H3C(O)CH3
  732080.6165  0.0162 -3.9349 3  816.6306952  595161404592040 0    582039 0      C-13-H3C(O)CH3
  732094.3042  0.0115 -5.5242 3  183.6346440  595161404271611 2    261314 2      C-13-H3C(O)CH3
  732097.9049  0.0118 -4.3169 3  689.3144412  595161404512824 4    502723 4      C-13-H3C(O)CH3
  732098.8816  0.0118 -4.3169 3  689.3143412  595161404512824 3    502723 3      C-13-H3C(O)CH3
  732123.6632  0.0185 -3.9341 3  816.6244952  595161404591940 1    581939 1      C-13-H3C(O)CH3
  732123.6632  0.0185 -3.9341 3  816.6244952  595161404592040 1    582039 1      C-13-H3C(O)CH3
  732125.2021  0.0188 -4.0263 3  816.6243952  595161404592040 2    581939 2      C-13-H3C(O)CH3
  732125.2021  0.0188 -4.6412 3  816.6243952  595161404592040 2    582039 2      C-13-H3C(O)CH3
  732125.2021  0.0188 -4.6412 3  816.6243952  595161404591940 2    581939 2      C-13-H3C(O)CH3
  732125.2021  0.0188 -4.0263 3  816.6243952  595161404591940 2    582039 2      C-13-H3C(O)CH3
  732138.4832  0.0060 -4.4109 3  187.9893488  59516140430 822 2    29 723 2      C-13-H3C(O)CH3
  732138.4832  0.0060 -4.4109 3  187.9893488  59516140430 922 2    29 623 2      C-13-H3C(O)CH3
  732148.0796  0.0064 -6.1977 3  187.9902488  59516140430 822 1    29 723 1      C-13-H3C(O)CH3
  732148.0796  0.0064 -4.4141 3  187.9902488  59516140430 822 1    29 623 1      C-13-H3C(O)CH3
  732148.0796  0.0064 -4.4142 3  187.9902488  59516140430 922 1    29 723 1      C-13-H3C(O)CH3
  732148.0796  0.0064 -6.1971 3  187.9902488  59516140430 922 1    29 623 1      C-13-H3C(O)CH3
  732168.3001  0.0210 -4.8296 3  816.6181476  595161404591940 3    582039 3      C-13-H3C(O)CH3
  732168.3001  0.0210 -4.3598 3  816.6181476  595161404592040 3    582039 3      C-13-H3C(O)CH3
  732168.3001  0.0210 -4.8296 3  816.6181476  595161404592040 3    581939 3      C-13-H3C(O)CH3
  732168.3001  0.0210 -4.3598 3  816.6181476  595161404591940 3    581939 3      C-13-H3C(O)CH3
  732168.3785  0.0211 -5.1831 3  816.6181476  595161404592040 4    582039 4      C-13-H3C(O)CH3
  732168.3785  0.0211 -4.2847 3  816.6181476  595161404592040 4    581939 4      C-13-H3C(O)CH3
  732168.3785  0.0211 -4.2847 3  816.6181476  595161404591940 4    582039 4      C-13-H3C(O)CH3
  732168.3785  0.0211 -5.1831 3  816.6181476  595161404591940 4    581939 4      C-13-H3C(O)CH3
  732212.4281  0.0525 -6.2119 3  447.4094324  595161404402912 3    392811 3      C-13-H3C(O)CH3
  732240.8327  0.0109 -5.5236 3  183.6423440  595161404271611 0    261314 0      C-13-H3C(O)CH3
  732263.9456  0.0046 -3.4283 3  447.4300648 -595161404402912 0    392811 0      C-13-H3C(O)CH3
  732277.5876  0.1629 -6.1697 3 1292.5115E16  59516140488 286 0    88 187 0      C-13-H3C(O)CH3
  732277.5876  0.1629 -6.1697 3 1292.5115E16  59516140488 386 0    88 287 0      C-13-H3C(O)CH3
  732294.9845  0.0136 -5.8279 3  183.6305220  595161404271611 3    261314 3      C-13-H3C(O)CH3
  732295.4185  0.0046 -3.4283 3  447.4293648  595161404402911 0    392812 0      C-13-H3C(O)CH3
  732301.1117  0.0172 -5.8280 3  183.6305220  595161404271611 4    261314 4      C-13-H3C(O)CH3
  732314.5232  0.0055 -3.4287 3  447.4012648 -595161404402912 1    392812 1      C-13-H3C(O)CH3
  732372.5074  0.0052 -3.4282 3  447.4103648 -595161404402912 2    392812 2      C-13-H3C(O)CH3
  732407.1631  0.0065 -3.7292 3  447.3817324  595161404402912 4    392812 4      C-13-H3C(O)CH3
  732407.5330  0.0047 -3.4285 3  447.4380648 -595161404402911 2    392811 2      C-13-H3C(O)CH3
  732414.6349  0.0045 -3.4287 3  447.4190648 -595161404402911 1    392811 1      C-13-H3C(O)CH3
  732440.4847  0.0117 -5.5265 3  183.6381440  595161404271611 1    261314 1      C-13-H3C(O)CH3
  732442.8686  0.0061 -3.7309 3  447.4094324  595161404402911 3    392811 3      C-13-H3C(O)CH3
  732504.0379  0.0060 -4.5396 3  187.9818488  59516140430 822 0    29 723 0      C-13-H3C(O)CH3
  732504.0379  0.0060 -4.9848 3  187.9818488  59516140430 822 0    29 623 0      C-13-H3C(O)CH3
  732504.0379  0.0060 -4.5396 3  187.9818488  59516140430 922 0    29 623 0      C-13-H3C(O)CH3
  732504.0379  0.0060 -4.9847 3  187.9818488  59516140430 922 0    29 723 0      C-13-H3C(O)CH3
  732508.7499  0.0058 -3.7305 3  447.3995324  595161404402912 3    392812 3      C-13-H3C(O)CH3
  732544.1047  0.0054 -3.7295 3  447.4271324  595161404402911 4    392811 4      C-13-H3C(O)CH3
  732622.8488  0.3448 -5.2196 3  855.1695452  595161404563422 3    553521 3      C-13-H3C(O)CH3
  732739.1903  0.0535 -6.2114 3  447.3995324  595161404402911 3    392812 3      C-13-H3C(O)CH3
  732892.0862  0.2977 -5.2355 3  855.1616452  595161404563422 4    553521 4      C-13-H3C(O)CH3
  732966.4184  0.0067 -4.6532 3  921.2490604 -59516140475 274 3    74 173 3      C-13-H3C(O)CH3
  732966.4184  0.0067 -4.8103 3  921.2490604 -59516140475 274 4    74 273 4      C-13-H3C(O)CH3
  732966.4184  0.0067 -4.6532 3  921.2490604 -59516140475 174 3    74 273 3      C-13-H3C(O)CH3
  732966.4184  0.0067 -4.2408 3  921.2490604 -59516140475 174 4    74 273 4      C-13-H3C(O)CH3
  732966.4309  0.0067 -4.2951 3  921.2490604  59516140475 174 3    74 173 3      C-13-H3C(O)CH3
  732966.4309  0.0067 -4.2951 3  921.2490604  59516140475 274 3    74 273 3      C-13-H3C(O)CH3
  732966.4490  0.0067 -4.2408 3  921.2490604  59516140475 274 4    74 173 4      C-13-H3C(O)CH3
  732966.4490  0.0067 -4.8103 3  921.2490604  59516140475 174 4    74 173 4      C-13-H3C(O)CH3
  732977.5344  0.0075 -3.9773 3  320.9283568  595161404352115 0    341816 0      C-13-H3C(O)CH3
  732985.2692  0.0107 -4.8138 3  921.2227C08  59516140475 174 2    74 273 2      C-13-H3C(O)CH3
  732985.2692  0.0107 -3.8844 3  921.2227C08  59516140475 274 2    74 273 2      C-13-H3C(O)CH3
  732985.2829  0.0095 -4.5327 3  921.2231C08 -59516140475 274 1    74 173 1      C-13-H3C(O)CH3
  732985.2829  0.0107 -4.8138 3  921.2227C08 -59516140475 274 2    74 173 2      C-13-H3C(O)CH3
  732985.2829  0.0095 -4.5327 3  921.2231C08 -59516140475 174 1    74 273 1      C-13-H3C(O)CH3
  732985.2829  0.0107 -3.8844 3  921.2227C08 -59516140475 174 2    74 173 2      C-13-H3C(O)CH3
  732985.3524  0.0071 -3.9769 3  320.9073568  595161404352115 1    341816 1      C-13-H3C(O)CH3
  732985.3745  0.0095 -3.9336 3  921.2231C08  59516140475 274 1    74 273 1      C-13-H3C(O)CH3
  732985.3745  0.0095 -3.9336 3  921.2231C08  59516140475 174 1    74 173 1      C-13-H3C(O)CH3
  733004.0916  0.0067 -4.0140 3  921.1968C08 -59516140475 274 0    74 273 0      C-13-H3C(O)CH3
  733004.0916  0.0067 -4.3094 3  921.1968C08 -59516140475 274 0    74 173 0      C-13-H3C(O)CH3
  733004.0916  0.0067 -4.2417 3  921.1968C08 -59516140475 174 0    74 273 0      C-13-H3C(O)CH3
  733004.0916  0.0067 -4.0528 3  921.1968C08 -59516140475 174 0    74 173 0      C-13-H3C(O)CH3
  733016.6922  0.0163 -3.9328 3  829.8172968  595161404601842 0    591941 0      C-13-H3C(O)CH3
  733016.6922  0.0163 -3.9328 3  829.8172968  595161404601942 0    591841 0      C-13-H3C(O)CH3
  733027.7309  0.0071 -3.9774 3  320.9004568  595161404352115 2    341816 2      C-13-H3C(O)CH3
  733031.3795  0.0067 -4.2780 3  320.8795284  595161404352115 4    341816 4      C-13-H3C(O)CH3
  733035.7709  0.0069 -4.2780 3  320.8794284  595161404352115 3    341816 3      C-13-H3C(O)CH3
  733058.4448  0.0190 -3.9340 3  829.8099968  595161404601942 1    591941 1      C-13-H3C(O)CH3
  733058.4448  0.0190 -3.9548 3  829.8099968  595161404601842 1    591841 1      C-13-H3C(O)CH3
  733058.4448  0.0190 -5.2287 3  829.8099968  595161404601942 1    591841 1      C-13-H3C(O)CH3
  733059.6632  0.0192 -4.0444 3  829.8098968  595161404601942 2    591841 2      C-13-H3C(O)CH3
  733059.6632  0.0192 -4.0444 3  829.8098968  595161404601842 2    591941 2      C-13-H3C(O)CH3
  733059.6632  0.0192 -4.5754 3  829.8098968  595161404601842 2    591841 2      C-13-H3C(O)CH3
  733059.6632  0.0192 -4.5754 3  829.8098968  595161404601942 2    591941 2      C-13-H3C(O)CH3
  733078.0950  0.0111 -5.0787 3  156.9131236  59516140429 624 3    28 425 3      C-13-H3C(O)CH3
  733078.0950  0.0111 -5.0787 3  156.9131236  59516140429 524 3    28 325 3      C-13-H3C(O)CH3
  733078.1076  0.0130 -5.0889 3  156.9131236  59516140429 524 4    28 325 4      C-13-H3C(O)CH3
  733078.1076  0.0130 -5.0889 3  156.9131236  59516140429 624 4    28 425 4      C-13-H3C(O)CH3
  733101.4645  0.0214 -6.0388 3  829.8025484  595161404601942 3    591941 3      C-13-H3C(O)CH3
  733101.4645  0.0214 -4.2402 3  829.8025484  595161404601942 3    591841 3      C-13-H3C(O)CH3
  733101.4645  0.0214 -6.0388 3  829.8025484  595161404601842 3    591841 3      C-13-H3C(O)CH3
  733101.4645  0.0214 -4.2402 3  829.8025484  595161404601842 3    591941 3      C-13-H3C(O)CH3
  733101.5382  0.0214 -4.3251 3  829.8025484  595161404601842 4    591941 4      C-13-H3C(O)CH3
  733101.5382  0.0214 -4.3251 3  829.8025484  595161404601942 4    591841 4      C-13-H3C(O)CH3
  733101.5382  0.0214 -4.9535 3  829.8025484  595161404601842 4    591841 4      C-13-H3C(O)CH3
  733101.5382  0.0214 -4.9535 3  829.8025484  595161404601942 4    591941 4      C-13-H3C(O)CH3
  733133.6091  0.0142 -5.9517 3  899.2457A96 -595161404681059 0    67 958 0      C-13-H3C(O)CH3
  733133.6091  0.0142 -3.9065 3  899.2457A96 -595161404681059 0    671058 0      C-13-H3C(O)CH3
  733133.6091  0.0142 -3.9065 3  899.2457A96 -59516140468 959 0    67 958 0      C-13-H3C(O)CH3
  733133.6091  0.0142 -5.9517 3  899.2457A96 -59516140468 959 0    671058 0      C-13-H3C(O)CH3
  733146.8693  0.0271 -6.0345 3  899.2172A96 -595161404681059 2    67 958 2      C-13-H3C(O)CH3
  733146.8693  0.0271 -3.9057 3  899.2172A96 -59516140468 959 2    67 958 2      C-13-H3C(O)CH3
  733146.8693  0.0271 -3.9057 3  899.2172A96 -595161404681059 2    671058 2      C-13-H3C(O)CH3
  733146.8693  0.0276 -3.9046 3  899.2174A96 -59516140468 959 1    67 958 1      C-13-H3C(O)CH3
  733146.8693  0.0276 -3.9046 3  899.2174A96 -595161404681059 1    671058 1      C-13-H3C(O)CH3
  733146.8693  0.0276 -6.2150 3  899.2174A96 -595161404681059 1    67 958 1      C-13-H3C(O)CH3
  733146.8693  0.0271 -6.0345 3  899.2172A96 -59516140468 959 2    671058 2      C-13-H3C(O)CH3
  733146.8693  0.0276 -6.2150 3  899.2174A96 -59516140468 959 1    671058 1      C-13-H3C(O)CH3
  733160.7758  0.0167 -4.6145 3  899.1888548  595161404681059 4    67 958 4      C-13-H3C(O)CH3
  733160.7758  0.0167 -4.6145 3  899.1888548  59516140468 959 4    671058 4      C-13-H3C(O)CH3
  733160.7758  0.0167 -4.4168 3  899.1888548  595161404681059 4    671058 4      C-13-H3C(O)CH3
  733160.7758  0.0167 -4.4168 3  899.1888548  59516140468 959 4    67 958 4      C-13-H3C(O)CH3
  733160.7824  0.0167 -5.3470 3  899.1888548  595161404681059 3    671058 3      C-13-H3C(O)CH3
  733160.7824  0.0167 -4.2359 3  899.1888548  595161404681059 3    67 958 3      C-13-H3C(O)CH3
  733160.7824  0.0167 -5.3470 3  899.1888548  59516140468 959 3    67 958 3      C-13-H3C(O)CH3
  733160.7824  0.0167 -4.2359 3  899.1888548  59516140468 959 3    671058 3      C-13-H3C(O)CH3
  733403.2891  0.0120 -4.0676 3  324.4196568  595161404352214 1    341915 1      C-13-H3C(O)CH3
  733475.7616  0.0117 -4.0687 3  324.4380568  595161404352214 0    341915 0      C-13-H3C(O)CH3
  733587.4143  0.0109 -4.3695 3  324.3899284  595161404352214 4    341915 4      C-13-H3C(O)CH3
  733597.6465  0.0134 -4.3696 3  324.3897284  595161404352214 3    341915 3      C-13-H3C(O)CH3
  733607.4073  0.0201 -5.9983 3  125.2093228  59516140428 326 3    27 027 3      C-13-H3C(O)CH3
  733607.4073  0.0201 -5.9983 3  125.2093228  59516140428 226 3    27 127 3      C-13-H3C(O)CH3
  733608.3313  0.0219 -5.9953 3  125.2093228  59516140428 226 4    27 127 4      C-13-H3C(O)CH3
  733608.3313  0.0219 -5.9953 3  125.2093228  59516140428 326 4    27 027 4      C-13-H3C(O)CH3
  733623.4254  0.0117 -4.9715 3  156.8800472  59516140429 524 2    28 325 2      C-13-H3C(O)CH3
  733623.4254  0.0117 -5.2083 3  156.8800472  59516140429 624 2    28 325 2      C-13-H3C(O)CH3
  733623.4254  0.0117 -5.2083 3  156.8800472  59516140429 524 2    28 425 2      C-13-H3C(O)CH3
  733623.4254  0.0117 -4.9715 3  156.8800472  59516140429 624 2    28 425 2      C-13-H3C(O)CH3
  733628.5787  0.0124 -5.1351 3  156.8805472  59516140429 624 1    28 425 1      C-13-H3C(O)CH3
  733628.5787  0.0124 -5.0206 3  156.8805472  59516140429 524 1    28 425 1      C-13-H3C(O)CH3
  733628.5787  0.0124 -5.1351 3  156.8805472  59516140429 524 1    28 325 1      C-13-H3C(O)CH3
  733628.5787  0.0124 -5.0206 3  156.8805472  59516140429 624 1    28 325 1      C-13-H3C(O)CH3
  733670.9113  0.0116 -4.0697 3  324.4081568  595161404352214 2    341915 2      C-13-H3C(O)CH3
  733739.4621  0.3428 -4.9213 3  855.1481904  595161404563422 2    553521 2      C-13-H3C(O)CH3
  733828.6312  0.0118 -5.3241 3  199.7299456  595161404281711 2    271414 2      C-13-H3C(O)CH3
  733855.4255  0.2238 -4.9197 3  855.1468904  595161404563422 1    553521 1      C-13-H3C(O)CH3
  733945.4884  0.0109 -5.3238 3  199.7416456  595161404281711 0    271414 0      C-13-H3C(O)CH3
  733995.5918  0.0162 -3.9332 3  842.4430984  595161404611744 0    601843 0      C-13-H3C(O)CH3
  733995.5918  0.0162 -3.9332 3  842.4430984  595161404611844 0    601743 0      C-13-H3C(O)CH3
  734035.9155  0.0195 -4.1678 3  842.4343984  595161404611744 1    601843 1      C-13-H3C(O)CH3
  734035.9155  0.0195 -4.3123 3  842.4343984  595161404611844 1    601843 1      C-13-H3C(O)CH3
  734035.9155  0.0195 -4.1678 3  842.4343984  595161404611844 1    601743 1      C-13-H3C(O)CH3
  734035.9155  0.0195 -4.3123 3  842.4343984  595161404611744 1    601743 1      C-13-H3C(O)CH3
  734036.8722  0.0196 -3.9587 3  842.4342984  595161404611844 2    601743 2      C-13-H3C(O)CH3
  734036.8722  0.0196 -5.1736 3  842.4342984  595161404611744 2    601743 2      C-13-H3C(O)CH3
  734036.8722  0.0196 -5.1736 3  842.4342984  595161404611844 2    601843 2      C-13-H3C(O)CH3
  734036.8722  0.0196 -3.9587 3  842.4342984  595161404611744 2    601843 2      C-13-H3C(O)CH3
  734038.9261  0.0168 -5.6284 3  199.7223228  595161404281711 4    271414 4      C-13-H3C(O)CH3
  734047.1526  0.0141 -5.6284 3  199.7223228  595161404281711 3    271414 3      C-13-H3C(O)CH3
  734077.2421  0.0215 -4.4895 3  842.4254492  595161404611744 3    601843 3      C-13-H3C(O)CH3
  734077.2421  0.0215 -4.5860 3  842.4254492  595161404611744 3    601743 3      C-13-H3C(O)CH3
  734077.2421  0.0215 -4.5860 3  842.4254492  595161404611844 3    601843 3      C-13-H3C(O)CH3
  734077.2421  0.0215 -4.4895 3  842.4254492  595161404611844 3    601743 3      C-13-H3C(O)CH3
  734077.3107  0.0215 -4.2355 3  842.4254492  595161404611744 4    601843 4      C-13-H3C(O)CH3
  734077.3107  0.0215 -4.2355 3  842.4254492  595161404611844 4    601743 4      C-13-H3C(O)CH3
  734080.2882  0.0185 -5.5602 3  240.0105244  595161404302110 4    291812 4      C-13-H3C(O)CH3
  734146.3551  0.5199 -6.0303 3 1093.8969508  595161404634024 4    624121 4      C-13-H3C(O)CH3
  734153.7468  0.2723 -6.1139 3 1346.2761B12  595161404694821 2    684919 2      C-13-H3C(O)CH3
  734156.2801  0.0119 -5.3272 3  199.7340456  595161404281711 1    271414 1      C-13-H3C(O)CH3
  734172.7219  0.0111 -6.0482 3  156.8475472  59516140429 624 0    28 325 0      C-13-H3C(O)CH3
  734172.7219  0.0111 -4.7957 3  156.8475472  59516140429 624 0    28 425 0      C-13-H3C(O)CH3
  734172.7219  0.0111 -4.7957 3  156.8475472  59516140429 524 0    28 325 0      C-13-H3C(O)CH3
  734172.7219  0.0111 -6.0482 3  156.8475472  59516140429 524 0    28 425 0      C-13-H3C(O)CH3
  734188.6803  0.3221 -6.1139 3 1346.2290B12  595161404694822 0    684919 0      C-13-H3C(O)CH3
  734189.7956  0.3222 -6.1139 3 1346.2290B12  595161404694821 0    684920 0      C-13-H3C(O)CH3
  734190.8942  0.0110 -4.3975 3  924.6470612 -59516140476 076 4    75 175 4      C-13-H3C(O)CH3
  734190.8942  0.0110 -6.0971 3  924.6470612 -59516140476 076 3    75 075 3      C-13-H3C(O)CH3
  734190.8942  0.0110 -4.1345 3  924.6470612 -59516140476 176 3    75 075 3      C-13-H3C(O)CH3
  734190.8942  0.0110 -4.4669 3  924.6470612 -59516140476 176 4    75 175 4      C-13-H3C(O)CH3
  734190.9164  0.0110 -4.4421 3  924.6470612  59516140476 076 4    75 075 4      C-13-H3C(O)CH3
  734190.9164  0.0110 -4.4198 3  924.6470612  59516140476 176 4    75 075 4      C-13-H3C(O)CH3
  734190.9351  0.0110 -4.1345 3  924.6470612  59516140476 076 3    75 175 3      C-13-H3C(O)CH3
  734190.9351  0.0110 -6.0971 3  924.6470612  59516140476 176 3    75 175 3      C-13-H3C(O)CH3
  734193.8422  0.0171 -4.8040 3  924.5841C24 -59516140476 176 1    75 175 1      C-13-H3C(O)CH3
  734193.8422  0.0194 -4.0174 3  924.5839C24 -59516140476 176 2    75 075 2      C-13-H3C(O)CH3
  734193.8422  0.0194 -4.2814 3  924.5839C24 -59516140476 076 2    75 075 2      C-13-H3C(O)CH3
  734193.8422  0.0171 -3.8772 3  924.5841C24 -59516140476 076 1    75 175 1      C-13-H3C(O)CH3
  734193.8422  0.0194 -4.0174 3  924.5839C24 -59516140476 076 2    75 175 2      C-13-H3C(O)CH3
  734193.8422  0.0194 -4.2814 3  924.5839C24 -59516140476 176 2    75 175 2      C-13-H3C(O)CH3
  734193.8422  0.0171 -4.8040 3  924.5841C24 -59516140476 076 1    75 075 1      C-13-H3C(O)CH3
  734193.8422  0.0171 -3.8772 3  924.5841C24 -59516140476 176 1    75 075 1      C-13-H3C(O)CH3
  734196.7707  0.0127 -4.4077 3  924.5212C24  59516140476 176 0    75 175 0      C-13-H3C(O)CH3
  734196.7707  0.0127 -4.4077 3  924.5212C24  59516140476 076 0    75 075 0      C-13-H3C(O)CH3
  734197.0443  0.0127 -3.9613 3  924.5212C24 -59516140476 076 0    75 175 0      C-13-H3C(O)CH3
  734197.0443  0.0127 -3.9613 3  924.5212C24 -59516140476 176 0    75 075 0      C-13-H3C(O)CH3
  734213.4033  0.0052 -3.6158 3  457.7031664  595161404412714 0    402615 0      C-13-H3C(O)CH3
  734251.3708  0.0118 -5.3632 3  240.0286488  595161404302110 1    291812 1      C-13-H3C(O)CH3
  734276.1408  0.0141 -5.8602 3  240.0107244  595161404302110 3    291812 3      C-13-H3C(O)CH3
  734280.5078  0.0144 -4.4135 3  906.9288B12 -59516140469 861 0    68 860 0      C-13-H3C(O)CH3
  734280.5078  0.0144 -4.4135 3  906.9288B12 -59516140469 961 0    68 960 0      C-13-H3C(O)CH3
  734280.5078  0.0144 -4.0600 3  906.9288B12 -59516140469 861 0    68 960 0      C-13-H3C(O)CH3
  734280.5078  0.0144 -4.0600 3  906.9288B12 -59516140469 961 0    68 860 0      C-13-H3C(O)CH3
  734287.3581  0.0274 -5.2948 3  906.8982B12 -59516140469 861 2    68 960 2      C-13-H3C(O)CH3
  734287.3581  0.0279 -3.9609 3  906.8984B12 -59516140469 961 1    68 960 1      C-13-H3C(O)CH3
  734287.3581  0.0279 -4.7880 3  906.8984B12 -59516140469 961 1    68 860 1      C-13-H3C(O)CH3
  734287.3581  0.0274 -3.9185 3  906.8982B12 -59516140469 961 2    68 960 2      C-13-H3C(O)CH3
  734287.3581  0.0279 -3.9031 3  906.8984B12 -59516140469 861 1    68 860 1      C-13-H3C(O)CH3
  734287.3581  0.0279 -6.1487 3  906.8984B12 -59516140469 861 1    68 960 1      C-13-H3C(O)CH3
  734287.3581  0.0274 -4.0630 3  906.8982B12 -59516140469 861 2    68 860 2      C-13-H3C(O)CH3
  734287.3581  0.0274 -4.4066 3  906.8982B12 -59516140469 961 2    68 860 2      C-13-H3C(O)CH3
  734295.9070  0.0158 -4.6424 3  906.8678556  59516140469 961 4    68 960 4      C-13-H3C(O)CH3
  734295.9070  0.0158 -4.3971 3  906.8678556  59516140469 861 4    68 960 4      C-13-H3C(O)CH3
  734295.9070  0.0158 -4.6424 3  906.8678556  59516140469 861 4    68 860 4      C-13-H3C(O)CH3
  734295.9070  0.0158 -4.3971 3  906.8678556  59516140469 961 4    68 860 4      C-13-H3C(O)CH3
  734295.9268  0.0158 -4.2188 3  906.8678556  59516140469 961 3    68 960 3      C-13-H3C(O)CH3
  734295.9268  0.0158 -5.6140 3  906.8678556  59516140469 961 3    68 860 3      C-13-H3C(O)CH3
  734295.9268  0.0158 -4.2188 3  906.8678556  59516140469 861 3    68 860 3      C-13-H3C(O)CH3
  734295.9268  0.0158 -5.6140 3  906.8678556  59516140469 861 3    68 960 3      C-13-H3C(O)CH3
  734324.9051  0.3146 -6.1136 3 1346.2764B12  595161404694821 1    684919 1      C-13-H3C(O)CH3
  734346.4199  0.0084 -3.6298 3  457.6862664 -595161404412714 1    402615 1      C-13-H3C(O)CH3
  734402.5945  0.0276 -5.7363 3  125.1392456  59516140428 226 2    27 127 2      C-13-H3C(O)CH3
  734402.5945  0.0276 -5.7363 3  125.1392456  59516140428 326 2    27 027 2      C-13-H3C(O)CH3
  734403.4223  0.0285 -5.7007 3  125.1397456  59516140428 226 1    27 127 1      C-13-H3C(O)CH3
  734403.4223  0.0285 -5.6939 3  125.1397456  59516140428 326 1    27 027 1      C-13-H3C(O)CH3
  734434.9625  0.0105 -3.9266 3  457.6728332  595161404412714 3    402615 3      C-13-H3C(O)CH3
  734438.4619  0.2625 -6.1138 3 1346.2360B12  595161404694822 2    684920 2      C-13-H3C(O)CH3
  734523.6137  0.0164 -3.6626 3  457.6877664  595161404412714 2    402615 2      C-13-H3C(O)CH3
  734549.9365  0.2487 -5.7746 3 1093.8871508  595161404634024 3    624121 3      C-13-H3C(O)CH3
  734570.3206  0.0061 -3.1519 3  436.4846600 -5951614043736 1 0    3635 2 0      C-13-H3C(O)CH3
  734570.3206  0.0061 -3.1519 3  436.4846600 -5951614043736 2 0    3635 1 0      C-13-H3C(O)CH3
  734575.5885  0.2851 -6.1136 3 1346.2323B12  595161404694822 1    684920 1      C-13-H3C(O)CH3
  734638.7408  0.0063 -3.1518 3  436.4185600 -5951614043736 2 2    3635 2 2      C-13-H3C(O)CH3
  734705.2697  0.0133 -5.5294 3  202.2147220  5951614042722 5 3    2619 7 3      C-13-H3C(O)CH3
  734713.1326  0.3810 -5.5972 3 1093.8487A16  595161404634024 2    624121 2      C-13-H3C(O)CH3
  734720.7197  0.0161 -5.5182 3  202.2450220  5951614042722 5 4    2619 7 4      C-13-H3C(O)CH3
  734735.1174  0.0066 -3.1516 3  436.4211600 -5951614043736 2 1    3635 2 1      C-13-H3C(O)CH3
  734741.5446  0.0103 -5.9757 3  240.0248488  595161404302110 2    291812 2      C-13-H3C(O)CH3
  734770.7986  0.2811 -5.5904 3 1093.8487A16  595161404634024 1    624121 1      C-13-H3C(O)CH3
  734785.8530  0.0068 -3.1516 3  436.4613600 -5951614043736 1 2    3635 1 2      C-13-H3C(O)CH3
  734803.3823  0.0094 -3.4525 3  436.3551300  5951614043736 2 4    3635 2 4      C-13-H3C(O)CH3
  734836.0557  0.0066 -3.1516 3  436.4862600 -5951614043736 1 1    3635 1 1      C-13-H3C(O)CH3
  734842.8058  0.2442 -4.9144 3  855.1294904  595161404563422 0    553521 0      C-13-H3C(O)CH3
  734852.6773  0.0269 -4.0174 3  457.6685332  595161404412714 4    402615 4      C-13-H3C(O)CH3
  734903.8457  0.0088 -3.4525 3  436.4201300  5951614043736 1 3    3635 1 3      C-13-H3C(O)CH3
  734950.0726  0.0091 -3.4524 3  436.3978300  5951614043736 2 3    3635 2 3      C-13-H3C(O)CH3
  734952.4011  0.0138 -5.0901 3  240.0107244  5951614043021 9 3    291812 3      C-13-H3C(O)CH3
  735008.1281  0.0159 -4.3081 3  854.5129A00  595161404621646 0    611745 0      C-13-H3C(O)CH3
  735008.1281  0.0159 -4.8584 3  854.5129A00  595161404621746 0    611645 0      C-13-H3C(O)CH3
  735008.1281  0.0159 -4.1723 3  854.5129A00  595161404621746 0    611745 0      C-13-H3C(O)CH3
  735008.1281  0.0159 -3.9889 3  854.5129A00  595161404621646 0    611645 0      C-13-H3C(O)CH3
  735046.8184  0.0200 -3.9483 3  854.5025A00  595161404621646 1    611645 1      C-13-H3C(O)CH3
  735046.8184  0.0200 -5.4210 3  854.5025A00  595161404621646 1    611745 1      C-13-H3C(O)CH3
  735046.8184  0.0200 -3.9483 3  854.5025A00  595161404621746 1    611745 1      C-13-H3C(O)CH3
  735046.8184  0.0200 -5.4210 3  854.5025A00  595161404621746 1    611645 1      C-13-H3C(O)CH3
  735047.5586  0.0200 -4.2928 3  854.5024A00  595161404621646 2    611645 2      C-13-H3C(O)CH3
  735047.5586  0.0200 -4.1838 3  854.5024A00  595161404621646 2    611745 2      C-13-H3C(O)CH3
  735047.5586  0.0200 -4.2928 3  854.5024A00  595161404621746 2    611745 2      C-13-H3C(O)CH3
  735047.5586  0.0200 -4.1838 3  854.5024A00  595161404621746 2    611645 2      C-13-H3C(O)CH3
  735051.1785  0.0094 -3.4524 3  436.4628300  5951614043736 1 4    3635 1 4      C-13-H3C(O)CH3
  735053.8098  0.0135 -5.5120 3  202.1710220  5951614042722 6 4    2619 8 4      C-13-H3C(O)CH3
  735065.9930  0.0132 -5.5307 3  202.2013220  5951614042722 6 3    2619 8 3      C-13-H3C(O)CH3
  735070.6503  0.2118 -6.1235 3 1093.8661508  595161404634024 4    624122 4      C-13-H3C(O)CH3
  735086.2923  0.0215 -4.2721 3  854.4920500  595161404621746 3    611745 3      C-13-H3C(O)CH3
  735086.2923  0.0215 -5.3198 3  854.4920500  595161404621746 3    611645 3      C-13-H3C(O)CH3
  735086.2923  0.0215 -5.3198 3  854.4920500  595161404621646 3    611745 3      C-13-H3C(O)CH3
  735086.2923  0.0215 -4.2721 3  854.4920500  595161404621646 3    611645 3      C-13-H3C(O)CH3
  735086.3553  0.0215 -4.6425 3  854.4920500  595161404621646 4    611745 4      C-13-H3C(O)CH3
  735086.3553  0.0215 -4.6425 3  854.4920500  595161404621746 4    611645 4      C-13-H3C(O)CH3
  735086.3553  0.0215 -4.4504 3  854.4920500  595161404621646 4    611645 4      C-13-H3C(O)CH3
  735086.3553  0.0215 -4.4504 3  854.4920500  595161404621746 4    611745 4      C-13-H3C(O)CH3
  735112.6395  0.0103 -4.8335 3  240.0286488  5951614043021 9 1    291812 1      C-13-H3C(O)CH3
  735121.0168  0.0120 -5.2175 3  202.2474440  5951614042722 5 1    2619 7 1      C-13-H3C(O)CH3
  735160.1350  0.0150 -5.1703 3  240.0105244  5951614043021 9 4    291812 4      C-13-H3C(O)CH3
  735196.6695  0.0267 -5.7597 3  125.0698456  59516140428 226 0    27 127 0      C-13-H3C(O)CH3
  735196.6695  0.0267 -5.7597 3  125.0698456  59516140428 326 0    27 027 0      C-13-H3C(O)CH3
  735198.6659  0.2092 -5.4728 3 1093.8034A16  595161404634024 0    624121 0      C-13-H3C(O)CH3
  735278.2802  0.0093 -4.7479 3  240.0248488  5951614043021 9 2    291812 2      C-13-H3C(O)CH3
  735279.9679  0.2001 -6.0759 3 1093.8297A16  595161404634024 2    624122 2      C-13-H3C(O)CH3
  735306.6624  0.2128 -6.0964 3 1093.8308A16  595161404634024 1    624122 1      C-13-H3C(O)CH3
  735309.0113  0.0084 -4.7230 3  240.0427488  5951614043021 9 0    291812 0      C-13-H3C(O)CH3
  735439.2780  0.0141 -4.3398 3  914.0742B28  59516140470 763 0    69 862 0      C-13-H3C(O)CH3
  735439.2780  0.0141 -4.7763 3  914.0742B28  59516140470 863 0    69 762 0      C-13-H3C(O)CH3
  735439.2780  0.0141 -4.0934 3  914.0742B28  59516140470 863 0    69 862 0      C-13-H3C(O)CH3
  735439.2780  0.0141 -3.9600 3  914.0742B28  59516140470 763 0    69 762 0      C-13-H3C(O)CH3
  735439.9898  0.0269 -3.9752 3  914.0425B28  59516140470 763 1    69 762 1      C-13-H3C(O)CH3
  735439.9898  0.0269 -3.9752 3  914.0425B28  59516140470 863 1    69 862 1      C-13-H3C(O)CH3
  735439.9898  0.0269 -4.6877 3  914.0425B28  59516140470 763 1    69 862 1      C-13-H3C(O)CH3
  735439.9898  0.0269 -4.6877 3  914.0425B28  59516140470 863 1    69 762 1      C-13-H3C(O)CH3
  735440.2450  0.0264 -3.9551 3  914.0424B28  59516140470 863 2    69 862 2      C-13-H3C(O)CH3
  735440.2450  0.0264 -3.9551 3  914.0424B28  59516140470 763 2    69 762 2      C-13-H3C(O)CH3
  735440.2450  0.0264 -4.8096 3  914.0424B28  59516140470 763 2    69 862 2      C-13-H3C(O)CH3
  735440.2450  0.0264 -4.8096 3  914.0424B28  59516140470 863 2    69 762 2      C-13-H3C(O)CH3
  735440.9356  0.0146 -5.7082 3  914.0107564  59516140470 863 4    69 862 4      C-13-H3C(O)CH3
  735440.9356  0.0146 -4.2129 3  914.0107564  59516140470 863 4    69 762 4      C-13-H3C(O)CH3
  735440.9356  0.0146 -4.2129 3  914.0107564  59516140470 763 4    69 862 4      C-13-H3C(O)CH3
  735440.9356  0.0146 -5.7082 3  914.0107564  59516140470 763 4    69 762 4      C-13-H3C(O)CH3
  735440.9676  0.0146 -4.7583 3  914.0107564  59516140470 863 3    69 762 3      C-13-H3C(O)CH3
  735440.9676  0.0146 -4.7583 3  914.0107564  59516140470 763 3    69 862 3      C-13-H3C(O)CH3
  735440.9676  0.0146 -4.3394 3  914.0107564  59516140470 863 3    69 862 3      C-13-H3C(O)CH3
  735440.9676  0.0146 -4.3394 3  914.0107564  59516140470 763 3    69 762 3      C-13-H3C(O)CH3
  735454.2947  0.0115 -5.2151 3  202.2042440  5951614042722 6 1    2619 8 1      C-13-H3C(O)CH3
  735465.4479  0.0118 -5.2213 3  202.2497440  5951614042722 5 2    2619 7 2      C-13-H3C(O)CH3
  735467.9416  0.0119 -5.2176 3  202.2188440  5951614042722 6 2    2619 8 2      C-13-H3C(O)CH3
  735501.2377  0.0060 -4.4041 3  242.7453260  595161404321319 4    311220 4      C-13-H3C(O)CH3
  735501.3603  0.0060 -4.4041 3  242.7453260  595161404321419 4    311120 4      C-13-H3C(O)CH3
  735501.5738  0.0053 -4.4041 3  242.7453260  595161404321319 3    311220 3      C-13-H3C(O)CH3
  735501.6972  0.0053 -4.4041 3  242.7453260  595161404321419 3    311120 3      C-13-H3C(O)CH3
  735640.4740  0.0051 -4.1030 3  242.7597520  595161404321319 2    311220 2      C-13-H3C(O)CH3
  735640.5977  0.0051 -4.1030 3  242.7597520  595161404321419 2    311120 2      C-13-H3C(O)CH3
  735660.0776  0.0051 -4.1030 3  242.7615520  595161404321319 1    311220 1      C-13-H3C(O)CH3
  735660.1948  0.0051 -4.1030 3  242.7615520  595161404321419 1    311120 1      C-13-H3C(O)CH3
  735798.7476  0.0050 -4.1028 3  242.7759520  595161404321319 0    311220 0      C-13-H3C(O)CH3
  735798.8651  0.0050 -4.1028 3  242.7759520  595161404321419 0    311120 0      C-13-H3C(O)CH3
  735799.1961  0.0125 -5.2182 3  202.2542440  5951614042722 6 0    2619 7 0      C-13-H3C(O)CH3
  735938.3982  0.0125 -5.2181 3  202.2496440  5951614042722 5 0    2619 8 0      C-13-H3C(O)CH3
  736047.7812  0.0155 -3.9348 3  866.0310A16  595161404631548 0    621547 0      C-13-H3C(O)CH3
  736047.7812  0.0155 -3.9348 3  866.0310A16  595161404631648 0    621647 0      C-13-H3C(O)CH3
  736084.5568  0.0207 -4.7068 3  866.0187A16  595161404631648 1    621547 1      C-13-H3C(O)CH3
  736084.5568  0.0207 -4.0152 3  866.0187A16  595161404631548 1    621547 1      C-13-H3C(O)CH3
  736084.5568  0.0207 -4.7068 3  866.0187A16  595161404631548 1    621647 1      C-13-H3C(O)CH3
  736084.5568  0.0207 -4.0152 3  866.0187A16  595161404631648 1    621647 1      C-13-H3C(O)CH3
  736085.1183  0.0206 -3.9398 3  866.0185A16  595161404631548 2    621647 2      C-13-H3C(O)CH3
  736085.1183  0.0206 -5.0428 3  866.0185A16  595161404631648 2    621647 2      C-13-H3C(O)CH3
  736085.1183  0.0206 -5.8713 3  866.0185A16  595161404631548 2    621547 2      C-13-H3C(O)CH3
  736085.1183  0.0206 -3.9700 3  866.0185A16  595161404631648 2    621547 2      C-13-H3C(O)CH3
  736121.9345  0.0214 -4.2360 3  866.0062508  595161404631548 3    621647 3      C-13-H3C(O)CH3
  736121.9345  0.0214 -4.2360 3  866.0062508  595161404631648 3    621547 3      C-13-H3C(O)CH3
  736121.9911  0.0214 -4.3468 3  866.0061508  595161404631648 4    621647 4      C-13-H3C(O)CH3
  736121.9911  0.0214 -4.2371 3  866.0061508  595161404631548 4    621547 4      C-13-H3C(O)CH3
  736121.9911  0.0214 -4.8826 3  866.0061508  595161404631548 4    621647 4      C-13-H3C(O)CH3
  736402.8919  0.0045 -3.2134 3  440.1244616 -5951614043834 4 0    3733 5 0      C-13-H3C(O)CH3
  736402.8919  0.0045 -3.2134 3  440.1244616 -5951614043834 5 0    3733 4 0      C-13-H3C(O)CH3
  736446.7903  0.0047 -3.2134 3  440.0823616 -5951614043834 5 2    3733 5 2      C-13-H3C(O)CH3
  736502.8196  0.0049 -3.2132 3  440.0690616 -5951614043834 5 1    3733 5 1      C-13-H3C(O)CH3
  736547.4045  0.0070 -3.5142 3  440.0268308  5951614043834 5 4    3733 5 4      C-13-H3C(O)CH3
  736549.6324  0.0049 -3.2132 3  440.1041616 -5951614043834 4 2    3733 4 2      C-13-H3C(O)CH3
  736595.6439  0.0131 -4.2428 3  920.6189572  59516140471 665 4    70 664 4      C-13-H3C(O)CH3
  736595.6439  0.0131 -4.3543 3  920.6189572  59516140471 665 4    70 764 4      C-13-H3C(O)CH3
  736595.6439  0.0131 -5.1887 3  920.6189572  59516140471 765 4    70 664 4      C-13-H3C(O)CH3
  736595.6439  0.0131 -4.7117 3  920.6189572  59516140471 765 4    70 764 4      C-13-H3C(O)CH3
  736595.6855  0.0131 -4.2771 3  920.6190572  59516140471 765 3    70 664 3      C-13-H3C(O)CH3
  736595.6855  0.0131 -4.9657 3  920.6190572  59516140471 765 3    70 764 3      C-13-H3C(O)CH3
  736595.6855  0.0131 -4.9657 3  920.6190572  59516140471 665 3    70 664 3      C-13-H3C(O)CH3
  736595.6855  0.0131 -4.2771 3  920.6190572  59516140471 665 3    70 764 3      C-13-H3C(O)CH3
  736601.7731  0.0242 -3.8958 3  920.6508B44  59516140471 765 1    70 764 1      C-13-H3C(O)CH3
  736601.7731  0.0242 -3.8958 3  920.6508B44  59516140471 665 1    70 664 1      C-13-H3C(O)CH3
  736602.0369  0.0238 -3.8953 3  920.6506B44  59516140471 665 2    70 664 2      C-13-H3C(O)CH3
  736602.0369  0.0238 -3.8953 3  920.6506B44  59516140471 765 2    70 764 2      C-13-H3C(O)CH3
  736607.6604  0.0130 -4.8302 3  920.6824B44 -59516140471 765 0    70 764 0      C-13-H3C(O)CH3
  736607.6604  0.0130 -3.9489 3  920.6824B44 -59516140471 665 0    70 764 0      C-13-H3C(O)CH3
  736607.6604  0.0130 -4.8302 3  920.6824B44 -59516140471 665 0    70 664 0      C-13-H3C(O)CH3
  736607.6604  0.0130 -3.9489 3  920.6824B44 -59516140471 765 0    70 664 0      C-13-H3C(O)CH3
  736616.5708  0.0503 -4.8442 3  462.0659332  595161404412814 4    402713 4      C-13-H3C(O)CH3
  736620.4424  0.0049 -3.2131 3  440.1120616 -5951614043834 4 1    3733 4 1      C-13-H3C(O)CH3
  736649.4875  0.0071 -3.5141 3  440.0488308  5951614043834 5 3    3733 5 3      C-13-H3C(O)CH3
  736664.2743  0.0069 -3.5141 3  440.0699308  5951614043834 4 3    3733 4 3      C-13-H3C(O)CH3
  736721.7884  0.2723 -6.1694 3 1256.0016540  595161404674522 4    664620 4      C-13-H3C(O)CH3
  736766.4091  0.0071 -3.5140 3  440.0917308  5951614043834 4 4    3733 4 4      C-13-H3C(O)CH3
  736829.9633  0.2961 -5.8708 3 1255.9487A80  595161404674522 2    664620 2      C-13-H3C(O)CH3
  736939.4227  0.3206 -5.8700 3 1255.9510A80  595161404674522 1    664620 1      C-13-H3C(O)CH3
  737010.3473  0.0115 -5.1176 3  216.3887472  595161404291811 2    281514 2      C-13-H3C(O)CH3
  737018.6527  0.3338 -5.8679 3 1255.8982A80  595161404674523 0    664620 0      C-13-H3C(O)CH3
  737072.3226  0.3344 -5.8679 3 1255.8982A80  595161404674522 0    664621 0      C-13-H3C(O)CH3
  737099.8642  0.0103 -5.1177 3  216.4039472  595161404291811 0    281514 0      C-13-H3C(O)CH3
  737109.8704  0.0150 -4.6363 3  877.0006A32  595161404641450 0    631449 0      C-13-H3C(O)CH3
  737109.8704  0.0150 -4.0321 3  877.0006A32  595161404641450 0    631549 0      C-13-H3C(O)CH3
  737109.8704  0.0150 -4.2728 3  877.0006A32  595161404641550 0    631549 0      C-13-H3C(O)CH3
  737109.8704  0.0150 -4.2033 3  877.0006A32  595161404641550 0    631449 0      C-13-H3C(O)CH3
  737129.9600  0.0405 -4.2273 3  462.0732664  595161404412814 2    402713 2      C-13-H3C(O)CH3
  737144.3667  0.0217 -3.9359 3  876.9861A32  595161404641550 1    631549 1      C-13-H3C(O)CH3
  737144.3667  0.0217 -3.9359 3  876.9861A32  595161404641450 1    631449 1      C-13-H3C(O)CH3
  737144.7839  0.0214 -4.1598 3  876.9859A32  595161404641450 2    631549 2      C-13-H3C(O)CH3
  737144.7839  0.0214 -4.1598 3  876.9859A32  595161404641550 2    631449 2      C-13-H3C(O)CH3
  737144.7839  0.0214 -4.3300 3  876.9859A32  595161404641550 2    631549 2      C-13-H3C(O)CH3
  737144.7839  0.0214 -4.3300 3  876.9859A32  595161404641450 2    631449 2      C-13-H3C(O)CH3
  737171.2605  0.0150 -5.4218 3  216.3782236  595161404291811 4    281514 4      C-13-H3C(O)CH3
  737179.3178  0.0210 -4.9127 3  876.9713516  595161404641550 3    631549 3      C-13-H3C(O)CH3
  737179.3178  0.0210 -4.3394 3  876.9713516  595161404641450 3    631549 3      C-13-H3C(O)CH3
  737179.3178  0.0210 -4.3394 3  876.9713516  595161404641550 3    631449 3      C-13-H3C(O)CH3
  737179.3178  0.0210 -4.9127 3  876.9713516  595161404641450 3    631449 3      C-13-H3C(O)CH3
  737179.3671  0.0210 -4.6025 3  876.9713516  595161404641450 4    631449 4      C-13-H3C(O)CH3
  737179.3671  0.0210 -4.4812 3  876.9713516  595161404641450 4    631549 4      C-13-H3C(O)CH3
  737179.3671  0.0210 -4.6025 3  876.9713516  595161404641550 4    631549 4      C-13-H3C(O)CH3
  737179.3671  0.0210 -4.4812 3  876.9713516  595161404641550 4    631449 4      C-13-H3C(O)CH3
  737188.2086  0.0146 -5.4219 3  216.3782236  595161404291811 3    281514 3      C-13-H3C(O)CH3
  737195.0753  0.2813 -5.8707 3 1255.9258A80  595161404674523 2    664621 2      C-13-H3C(O)CH3
  737243.5150  0.2104 -6.1835 3 1541.6270E96  59516140493 787 0    93 688 0      C-13-H3C(O)CH3
  737243.5150  0.2104 -6.1835 3 1541.6270E96  59516140493 687 0    93 588 0      C-13-H3C(O)CH3
  737267.0275  0.0116 -5.1210 3  216.3933472  595161404291811 1    281514 1      C-13-H3C(O)CH3
  737269.6280  0.0101 -6.1834 3  153.1541204  595161404251511 4    241014 4      C-13-H3C(O)CH3
  737279.9553  0.0079 -6.1835 3  153.1540204  595161404251511 3    241014 3      C-13-H3C(O)CH3
  737374.6617  0.3296 -5.8699 3 1255.9246A80  595161404674523 1    664621 1      C-13-H3C(O)CH3
  737380.0171  0.3499 -6.1272 3 1541.5936E96  59516140493 787 1    93 688 1      C-13-H3C(O)CH3
  737380.0171  0.3499 -6.1268 3 1541.5936E96  59516140493 687 1    93 588 1      C-13-H3C(O)CH3
  737467.8528  0.0223 -3.9032 3  462.0591664  595161404412814 1    402713 1      C-13-H3C(O)CH3
  737481.7335  0.0078 -5.8818 3  153.1496408  595161404251511 2    241014 2      C-13-H3C(O)CH3
  737515.0089  0.0220 -6.1277 3  181.5525204  5951614042523 2 4    2420 4 4      C-13-H3C(O)CH3
  737527.0281  0.2559 -6.1691 3 1255.9523540  595161404674523 4    664621 4      C-13-H3C(O)CH3
  737538.2689  0.0078 -5.8815 3  153.1522408  595161404251511 1    241014 1      C-13-H3C(O)CH3
  737692.8829  0.0051 -3.5366 3  462.0714664 -595161404412814 0    402713 0      C-13-H3C(O)CH3
  737714.3252  0.0185 -6.1234 3  181.5057204  5951614042523 3 3    2420 4 3      C-13-H3C(O)CH3
  737737.6963  0.0367 -4.0917 3  462.0503332  595161404412814 3    402713 3      C-13-H3C(O)CH3
  737744.0986  0.0080 -5.8805 3  153.1478408  595161404251511 0    241014 0      C-13-H3C(O)CH3
  737760.0955  0.0111 -4.2494 3  926.6940580  59516140472 567 4    71 566 4      C-13-H3C(O)CH3
  737760.0955  0.0111 -5.1039 3  926.6940580  59516140472 567 4    71 666 4      C-13-H3C(O)CH3
  737760.0955  0.0111 -5.1039 3  926.6940580  59516140472 667 4    71 566 4      C-13-H3C(O)CH3
  737760.0955  0.0111 -4.2494 3  926.6940580  59516140472 667 4    71 666 4      C-13-H3C(O)CH3
  737760.1416  0.0111 -4.2565 3  926.6940580  59516140472 667 3    71 566 3      C-13-H3C(O)CH3
  737760.1416  0.0111 -4.2565 3  926.6940580  59516140472 567 3    71 666 3      C-13-H3C(O)CH3
  737760.1416  0.0111 -5.0564 3  926.6940580  59516140472 567 3    71 566 3      C-13-H3C(O)CH3
  737760.1416  0.0111 -5.0564 3  926.6940580  59516140472 667 3    71 666 3      C-13-H3C(O)CH3
  737772.9258  0.0196 -4.6378 3  926.7238B60 -59516140472 667 1    71 666 1      C-13-H3C(O)CH3
  737772.9258  0.0194 -5.0849 3  926.7236B60 -59516140472 567 2    71 566 2      C-13-H3C(O)CH3
  737772.9258  0.0196 -3.9774 3  926.7238B60 -59516140472 567 1    71 666 1      C-13-H3C(O)CH3
  737772.9258  0.0194 -3.9203 3  926.7236B60 -59516140472 667 2    71 566 2      C-13-H3C(O)CH3
  737773.2746  0.0196 -4.6378 3  926.7238B60  59516140472 567 1    71 566 1      C-13-H3C(O)CH3
  737773.2746  0.0196 -3.9774 3  926.7238B60  59516140472 667 1    71 566 1      C-13-H3C(O)CH3
  737773.5139  0.0194 -3.9203 3  926.7236B60  59516140472 567 2    71 666 2      C-13-H3C(O)CH3
  737773.5139  0.0194 -5.0849 3  926.7236B60  59516140472 667 2    71 666 2      C-13-H3C(O)CH3
  737786.1174  0.0111 -4.4887 3  926.7534B60 -59516140472 567 0    71 666 0      C-13-H3C(O)CH3
  737786.1174  0.0111 -4.4887 3  926.7534B60 -59516140472 667 0    71 566 0      C-13-H3C(O)CH3
  737786.6467  0.0111 -4.0182 3  926.7534B60  59516140472 567 0    71 566 0      C-13-H3C(O)CH3
  737786.6467  0.0111 -4.0182 3  926.7534B60  59516140472 667 0    71 666 0      C-13-H3C(O)CH3
  737926.8514  0.2371 -6.0890 3 1485.7294E80  59516140492 587 0    92 588 0      C-13-H3C(O)CH3
  737926.8514  0.2371 -6.0890 3 1485.7294E80  59516140492 687 0    92 488 0      C-13-H3C(O)CH3
  737939.0314  0.4111 -6.1298 3 1485.6955E80  59516140492 587 1    92 588 1      C-13-H3C(O)CH3
  737939.0314  0.4111 -6.1298 3 1485.6955E80  59516140492 687 1    92 488 1      C-13-H3C(O)CH3
  737941.7435  0.4021 -6.1628 3 1485.6953E80  59516140492 587 2    92 488 2      C-13-H3C(O)CH3
  737941.7435  0.4021 -6.1628 3 1485.6953E80  59516140492 687 2    92 588 2      C-13-H3C(O)CH3
  737964.3196  0.0042 -3.2891 3  445.4423632 -5951614043932 7 0    3831 8 0      C-13-H3C(O)CH3
  737964.3196  0.0042 -3.2891 3  445.4423632 -5951614043932 8 0    3831 7 0      C-13-H3C(O)CH3
  737994.6467  0.0133 -3.9796 3  749.4831872  595161404542529 0    532628 0      C-13-H3C(O)CH3
  737994.8892  0.0133 -3.9796 3  749.4831872  595161404542629 0    532528 0      C-13-H3C(O)CH3
  738019.5840  0.0047 -3.2891 3  445.4186632 -5951614043932 8 2    3831 8 2      C-13-H3C(O)CH3
  738025.6754  0.0048 -3.2891 3  445.3998632 -5951614043932 8 1    3831 8 1      C-13-H3C(O)CH3
  738046.2120  0.0148 -3.9797 3  749.4795872  595161404542529 1    532628 1      C-13-H3C(O)CH3
  738046.4850  0.0148 -3.9797 3  749.4795872  595161404542629 1    532528 1      C-13-H3C(O)CH3
  738052.9795  0.0160 -3.9796 3  749.4790872  595161404542529 2    532628 2      C-13-H3C(O)CH3
  738053.2504  0.0160 -3.9796 3  749.4790872  595161404542629 2    532528 2      C-13-H3C(O)CH3
  738077.2071  0.0047 -3.2891 3  445.4348632 -5951614043932 7 2    3831 7 2      C-13-H3C(O)CH3
  738081.8634  0.0064 -3.5901 3  445.3760316  5951614043932 8 4    3831 8 4      C-13-H3C(O)CH3
  738097.9745  0.0192 -6.1255 3  181.5039204  5951614042523 2 3    2420 5 3      C-13-H3C(O)CH3
  738098.1470  0.0144 -3.9699 3  766.2807888  595161404552431 0    542530 0      C-13-H3C(O)CH3
  738098.1511  0.0144 -3.9699 3  766.2807888  595161404552531 0    542430 0      C-13-H3C(O)CH3
  738104.6124  0.0178 -4.2807 3  749.4754436  595161404542529 3    532628 3      C-13-H3C(O)CH3
  738104.7179  0.0178 -4.2807 3  749.4754436  595161404542529 4    532628 4      C-13-H3C(O)CH3
  738104.9174  0.0178 -4.2807 3  749.4754436  595161404542629 3    532528 3      C-13-H3C(O)CH3
  738105.0208  0.0178 -4.2807 3  749.4754436  595161404542629 4    532528 4      C-13-H3C(O)CH3
  738137.3583  0.0047 -3.2889 3  445.4266632 -5951614043932 7 1    3831 7 1      C-13-H3C(O)CH3
  738139.2260  0.0064 -3.5901 3  445.3923316  5951614043932 8 3    3831 8 3      C-13-H3C(O)CH3
  738147.5558  0.0159 -3.9699 3  766.2777888  595161404552431 1    542530 1      C-13-H3C(O)CH3
  738147.5608  0.0159 -3.9699 3  766.2777888  595161404552531 1    542430 1      C-13-H3C(O)CH3
  738152.4242  0.0170 -3.9699 3  766.2775888  595161404552431 2    542530 2      C-13-H3C(O)CH3
  738152.4290  0.0170 -3.9699 3  766.2775888  595161404552531 2    542430 2      C-13-H3C(O)CH3
  738191.0108  0.0147 -4.6922 3  887.4244A48  595161404651352 0    641351 0      C-13-H3C(O)CH3
  738191.0108  0.0147 -4.4570 3  887.4244A48  595161404651452 0    641451 0      C-13-H3C(O)CH3
  738191.0108  0.0147 -4.0200 3  887.4244A48  595161404651452 0    641351 0      C-13-H3C(O)CH3
  738191.0108  0.0147 -4.0920 3  887.4244A48  595161404651352 0    641451 0      C-13-H3C(O)CH3
  738193.4322  0.0063 -3.5899 3  445.4029316  5951614043932 7 3    3831 7 3      C-13-H3C(O)CH3
  738197.8954  0.0182 -5.8268 3  181.5571408  5951614042523 2 1    2420 4 1      C-13-H3C(O)CH3
  738201.8976  0.0189 -4.2710 3  766.2744444  595161404552431 3    542530 3      C-13-H3C(O)CH3
  738201.9034  0.0189 -4.2710 3  766.2744444  595161404552531 3    542430 3      C-13-H3C(O)CH3
  738201.9970  0.0189 -4.2710 3  766.2744444  595161404552431 4    542530 4      C-13-H3C(O)CH3
  738202.0027  0.0189 -4.2710 3  766.2744444  595161404552531 4    542430 4      C-13-H3C(O)CH3
  738222.7748  0.0230 -4.8650 3  887.4074A48  595161404651352 1    641351 1      C-13-H3C(O)CH3
  738222.7748  0.0230 -4.8650 3  887.4074A48  595161404651452 1    641451 1      C-13-H3C(O)CH3
  738222.7748  0.0230 -3.9906 3  887.4074A48  595161404651452 1    641351 1      C-13-H3C(O)CH3
  738222.7748  0.0230 -3.9906 3  887.4074A48  595161404651352 1    641451 1      C-13-H3C(O)CH3
  738223.0808  0.0226 -5.0928 3  887.4072A48  595161404651452 2    641451 2      C-13-H3C(O)CH3
  738223.0808  0.0226 -3.9676 3  887.4072A48  595161404651352 2    641451 2      C-13-H3C(O)CH3
  738223.0808  0.0226 -3.9676 3  887.4072A48  595161404651452 2    641351 2      C-13-H3C(O)CH3
  738223.0808  0.0226 -5.0928 3  887.4072A48  595161404651352 2    641351 2      C-13-H3C(O)CH3
  738250.1491  0.0068 -3.5899 3  445.4191316  5951614043932 7 4    3831 7 4      C-13-H3C(O)CH3
  738254.8790  0.0206 -4.2428 3  887.3901524  595161404651452 3    641351 3      C-13-H3C(O)CH3
  738254.8790  0.0206 -6.1281 3  887.3901524  595161404651452 3    641451 3      C-13-H3C(O)CH3
  738254.8790  0.0206 -4.2428 3  887.3901524  595161404651352 3    641451 3      C-13-H3C(O)CH3
  738254.8790  0.0206 -6.1281 3  887.3901524  595161404651352 3    641351 3      C-13-H3C(O)CH3
  738254.9201  0.0206 -5.3367 3  887.3901524  595161404651452 4    641451 4      C-13-H3C(O)CH3
  738254.9201  0.0206 -4.2731 3  887.3901524  595161404651452 4    641351 4      C-13-H3C(O)CH3
  738254.9201  0.0206 -5.3367 3  887.3901524  595161404651352 4    641351 4      C-13-H3C(O)CH3
  738254.9201  0.0206 -4.2731 3  887.3901524  595161404651352 4    641451 4      C-13-H3C(O)CH3
  738262.4417  0.0075 -3.7805 3  462.0591664 -595161404412813 1    402713 1      C-13-H3C(O)CH3
  738295.6685  0.0196 -6.1212 3  181.4572204  5951614042523 3 4    2420 5 4      C-13-H3C(O)CH3
  738331.0704  0.0103 -4.1902 3  462.0503332  595161404412813 3    402713 3      C-13-H3C(O)CH3
  738350.8299  0.0075 -3.6349 3  462.0732664 -595161404412813 2    402713 2      C-13-H3C(O)CH3
  738372.9597  0.0171 -5.8296 3  181.5698408  5951614042523 2 2    2420 4 2      C-13-H3C(O)CH3
  738387.1878  0.0123 -3.9956 3  731.9968856  595161404532627 0    522726 0      C-13-H3C(O)CH3
  738397.8551  0.0122 -3.9956 3  731.9965856  595161404532727 0    522626 0      C-13-H3C(O)CH3
  738422.4760  0.0173 -4.6177 3  274.2503520  595161404322211 1    311912 1      C-13-H3C(O)CH3
  738441.6444  0.0137 -3.9957 3  731.9921856  595161404532627 1    522726 1      C-13-H3C(O)CH3
  738451.6071  0.0150 -3.9957 3  731.9913856  595161404532627 2    522726 2      C-13-H3C(O)CH3
  738453.1658  0.0136 -3.9957 3  731.9918856  595161404532727 1    522626 1      C-13-H3C(O)CH3
  738463.1792  0.0149 -3.9957 3  731.9909856  595161404532727 2    522626 2      C-13-H3C(O)CH3
  738488.5942  0.0069 -3.7801 3  462.0250664 -595161404412814 1    402714 1      C-13-H3C(O)CH3
  738500.6803  0.0223 -4.9287 3  274.2269260  595161404322211 3    311912 3      C-13-H3C(O)CH3
  738502.9752  0.0155 -3.9641 3  782.4337904 -595161404562433 0    552332 0      C-13-H3C(O)CH3
  738502.9752  0.0155 -3.9641 3  782.4337904 -595161404562333 0    552432 0      C-13-H3C(O)CH3
  738506.1040  0.0167 -4.2969 3  731.9866428  595161404532627 3    522726 3      C-13-H3C(O)CH3
  738506.2391  0.0167 -4.2969 3  731.9866428  595161404532627 4    522726 4      C-13-H3C(O)CH3
  738510.7063  0.4056 -6.0886 3 1430.3706E64  59516140491 487 1    91 388 1      C-13-H3C(O)CH3
  738510.7063  0.4056 -6.0886 3 1430.3706E64  59516140491 587 1    91 488 1      C-13-H3C(O)CH3
  738512.6147  0.0065 -3.6342 3  462.0271664  595161404412814 2    402714 2      C-13-H3C(O)CH3
  738513.0630  0.0076 -3.8820 3  462.0659332  595161404412813 4    402713 4      C-13-H3C(O)CH3
  738518.0815  0.0069 -3.8813 3  462.0025332  595161404412814 4    402714 4      C-13-H3C(O)CH3
  738518.6052  0.0166 -4.2969 3  731.9863428  595161404532727 3    522626 3      C-13-H3C(O)CH3
  738518.6930  0.0166 -4.2969 3  731.9863428  595161404532727 4    522626 4      C-13-H3C(O)CH3
  738550.9421  0.0170 -3.9642 3  782.4310904  595161404562433 1    552332 1      C-13-H3C(O)CH3
  738550.9421  0.0170 -3.9642 3  782.4310904  595161404562333 1    552432 1      C-13-H3C(O)CH3
  738553.8424  0.0238 -4.9109 3  274.2264260  595161404322211 4    311912 4      C-13-H3C(O)CH3
  738554.5906  0.0179 -3.9641 3  782.4308904  595161404562333 2    552432 2      C-13-H3C(O)CH3
  738554.5907  0.0179 -3.9641 3  782.4308904  595161404562433 2    552332 2      C-13-H3C(O)CH3
  738568.7050  0.0182 -5.8252 3  181.5230408  5951614042523 3 2    2420 5 2      C-13-H3C(O)CH3
  738602.4174  0.0199 -4.2652 3  782.4281452  595161404562333 3    552432 3      C-13-H3C(O)CH3
  738602.4175  0.0199 -4.2652 3  782.4281452  595161404562433 3    552332 3      C-13-H3C(O)CH3
  738602.5124  0.0199 -4.2652 3  782.4280452  595161404562333 4    552432 4      C-13-H3C(O)CH3
  738602.5124  0.0199 -4.2652 3  782.4280452  595161404562433 4    552332 4      C-13-H3C(O)CH3
  738690.4414  0.2356 -6.0665 3 1430.3982E64  59516140491 487 0    91 388 0      C-13-H3C(O)CH3
  738690.4414  0.2356 -6.0665 3 1430.3982E64  59516140491 587 0    91 488 0      C-13-H3C(O)CH3
  738699.3163  0.0093 -4.1893 3  462.0182332  595161404412814 3    402714 3      C-13-H3C(O)CH3
  738768.5065  0.0076 -5.9979 3  478.3553680  595161404422715 1    412615 1      C-13-H3C(O)CH3
  738777.4910  0.0180 -5.8246 3  181.5086408  5951614042523 3 1    2420 5 1      C-13-H3C(O)CH3
  738890.9924  0.0050 -3.5354 3  462.0440664 -595161404412813 0    402714 0      C-13-H3C(O)CH3
  738917.6838  0.0090 -5.4871 3  478.3509680  595161404422715 2    412615 2      C-13-H3C(O)CH3
  738932.5302  0.0044 -3.3879 3  452.6312648 -595161404403011 0    392910 0      C-13-H3C(O)CH3
  738934.6719  0.0089 -5.4357 3  932.2375588  59516140473 569 4    72 468 4      C-13-H3C(O)CH3
  738934.6719  0.0089 -4.2136 3  932.2375588  59516140473 469 4    72 468 4      C-13-H3C(O)CH3
  738934.6719  0.0089 -5.4357 3  932.2375588  59516140473 469 4    72 568 4      C-13-H3C(O)CH3
  738934.6719  0.0089 -4.2136 3  932.2375588  59516140473 569 4    72 568 4      C-13-H3C(O)CH3
  738934.7139  0.0089 -5.8377 3  932.2375588  59516140473 469 3    72 568 3      C-13-H3C(O)CH3
  738934.7139  0.0089 -4.1981 3  932.2375588  59516140473 569 3    72 568 3      C-13-H3C(O)CH3
  738934.7139  0.0089 -5.8377 3  932.2375588  59516140473 569 3    72 468 3      C-13-H3C(O)CH3
  738934.7139  0.0089 -4.1981 3  932.2375588  59516140473 469 3    72 468 3      C-13-H3C(O)CH3
  738934.9852  0.0044 -3.3879 3  452.6312648 -595161404403010 0    392911 0      C-13-H3C(O)CH3
  738954.1656  0.0139 -5.3916 3  932.2623B76  59516140473 569 1    72 568 1      C-13-H3C(O)CH3
  738954.1656  0.0139 -3.9011 3  932.2623B76  59516140473 469 1    72 568 1      C-13-H3C(O)CH3
  738954.3326  0.0139 -5.2183 3  932.2620B76  59516140473 469 2    72 568 2      C-13-H3C(O)CH3
  738954.3326  0.0139 -3.9080 3  932.2620B76  59516140473 569 2    72 568 2      C-13-H3C(O)CH3
  738954.4401  0.0139 -3.9080 3  932.2620B76 -59516140473 469 2    72 468 2      C-13-H3C(O)CH3
  738954.4401  0.0139 -3.9011 3  932.2623B76 -59516140473 569 1    72 468 1      C-13-H3C(O)CH3
  738954.4401  0.0139 -5.3916 3  932.2623B76 -59516140473 469 1    72 468 1      C-13-H3C(O)CH3
  738954.4401  0.0139 -5.2183 3  932.2620B76 -59516140473 569 2    72 468 2      C-13-H3C(O)CH3
  738957.8733  0.4667 -6.0653 3 1216.9738A80  595161404673929 0    664026 0      C-13-H3C(O)CH3
  738973.3688  0.0087 -6.0984 3  932.2868B76 -59516140473 469 0    72 468 0      C-13-H3C(O)CH3
  738973.3688  0.0087 -3.8900 3  932.2868B76 -59516140473 569 0    72 468 0      C-13-H3C(O)CH3
  738973.7750  0.0087 -6.0984 3  932.2868B76  59516140473 569 0    72 568 0      C-13-H3C(O)CH3
  738973.7750  0.0087 -3.8900 3  932.2868B76  59516140473 469 0    72 568 0      C-13-H3C(O)CH3
  738978.4696  0.0054 -3.3880 3  452.6005648 -595161404403011 1    392911 1      C-13-H3C(O)CH3
  739006.0797  0.0147 -4.5960 3  274.2589520  595161404322211 0    311912 0      C-13-H3C(O)CH3
  739019.9049  0.0051 -3.3878 3  452.6141648 -595161404403011 2    392911 2      C-13-H3C(O)CH3
  739050.5968  0.0045 -3.3880 3  452.6378648 -595161404403010 2    392910 2      C-13-H3C(O)CH3
  739051.0394  0.0110 -5.4155 3  478.3353340  595161404422715 4    412615 4      C-13-H3C(O)CH3
  739056.6159  0.0187 -5.8296 3  181.5742408  5951614042523 3 0    2420 4 0      C-13-H3C(O)CH3
  739056.8343  0.0187 -5.8296 3  181.5742408  5951614042523 2 0    2420 5 0      C-13-H3C(O)CH3
  739065.0321  0.0066 -3.6889 3  452.5831324  595161404403011 4    392911 4      C-13-H3C(O)CH3
  739076.6676  0.0045 -3.3879 3  452.6199648 -595161404403010 1    392910 1      C-13-H3C(O)CH3
  739083.2999  0.5675 -6.1617 3 1131.4261516  595161404644124 4    634221 4      C-13-H3C(O)CH3
  739096.2155  0.0061 -3.6892 3  452.6069324  595161404403010 3    392910 3      C-13-H3C(O)CH3
  739101.7461  0.3117 -6.1520 3 1375.6188E48  59516140490 487 1    90 288 1      C-13-H3C(O)CH3
  739101.7461  0.3117 -6.1854 3 1375.6188E48  59516140490 387 1    90 388 1      C-13-H3C(O)CH3
  739103.3185  0.0164 -3.9611 3  797.9705920  595161404572335 0    562234 0      C-13-H3C(O)CH3
  739103.3185  0.0164 -3.9611 3  797.9705920  595161404572235 0    562334 0      C-13-H3C(O)CH3
  739106.3790  0.3183 -6.1587 3 1375.6183E48  59516140490 487 2    90 288 2      C-13-H3C(O)CH3
  739106.3790  0.3183 -6.1587 3 1375.6183E48  59516140490 387 2    90 388 2      C-13-H3C(O)CH3
  739120.5484  0.0161 -4.5975 3  274.2351520  595161404322211 2    311912 2      C-13-H3C(O)CH3
  739149.7248  0.0180 -3.9611 3  797.9677920  595161404572335 1    562234 1      C-13-H3C(O)CH3
  739149.7248  0.0180 -3.9611 3  797.9677920  595161404572235 1    562334 1      C-13-H3C(O)CH3
  739152.5384  0.0187 -3.9609 3  797.9676920  595161404572335 2    562234 2      C-13-H3C(O)CH3
  739152.5384  0.0187 -3.9609 3  797.9676920  595161404572235 2    562334 2      C-13-H3C(O)CH3
  739163.7966  0.0059 -3.6888 3  452.6026324  595161404403011 3    392911 3      C-13-H3C(O)CH3
  739194.7092  0.0056 -3.6890 3  452.6263324 -595161404403010 4    392910 4      C-13-H3C(O)CH3
  739199.0027  0.0208 -4.2620 3  797.9647460  595161404572335 3    562234 3      C-13-H3C(O)CH3
  739199.0027  0.0208 -4.2620 3  797.9647460  595161404572235 3    562334 3      C-13-H3C(O)CH3
  739199.0937  0.0209 -4.2620 3  797.9647460  595161404572235 4    562334 4      C-13-H3C(O)CH3
  739199.0937  0.0209 -4.2620 3  797.9647460  595161404572335 4    562234 4      C-13-H3C(O)CH3
  739217.9860  0.0070 -4.5595 3  212.4074252  595161404311021 4    30 922 4      C-13-H3C(O)CH3
  739217.9861  0.0070 -4.5595 3  212.4074252  595161404311121 4    30 822 4      C-13-H3C(O)CH3
  739218.3898  0.0058 -4.5595 3  212.4073252  595161404311021 3    30 922 3      C-13-H3C(O)CH3
  739218.3899  0.0058 -4.5595 3  212.4073252  595161404311121 3    30 822 3      C-13-H3C(O)CH3
  739282.8676  0.0239 -3.9014 3  462.0250664  595161404412813 1    402714 1      C-13-H3C(O)CH3
  739288.7457  0.0145 -3.9369 3  897.3045A64  595161404661354 0    651253 0      C-13-H3C(O)CH3
  739288.7457  0.0145 -3.9369 3  897.3045A64  595161404661254 0    651353 0      C-13-H3C(O)CH3
  739292.6904  0.0378 -4.0903 3  462.0182332  595161404412813 3    402714 3      C-13-H3C(O)CH3
  739317.2340  0.0246 -4.8018 3  897.2848A64  595161404661254 1    651353 1      C-13-H3C(O)CH3
  739317.2340  0.0246 -4.8018 3  897.2848A64  595161404661354 1    651253 1      C-13-H3C(O)CH3
  739317.2340  0.0246 -4.0002 3  897.2848A64  595161404661354 1    651353 1      C-13-H3C(O)CH3
  739317.2340  0.0246 -4.0002 3  897.2848A64  595161404661254 1    651253 1      C-13-H3C(O)CH3
  739317.4617  0.0242 -3.9365 3  897.2846A64  595161404661254 2    651353 2      C-13-H3C(O)CH3
  739317.4617  0.0242 -3.9365 3  897.2846A64  595161404661354 2    651253 2      C-13-H3C(O)CH3
  739345.9808  0.0201 -5.8456 3  897.2650532  595161404661354 3    651253 3      C-13-H3C(O)CH3
  739345.9808  0.0201 -4.2483 3  897.2650532  595161404661254 3    651253 3      C-13-H3C(O)CH3
  739345.9808  0.0201 -4.2483 3  897.2650532  595161404661354 3    651353 3      C-13-H3C(O)CH3
  739345.9808  0.0201 -5.8456 3  897.2650532  595161404661254 3    651353 3      C-13-H3C(O)CH3
  739346.0124  0.0201 -4.2707 3  897.2649532  595161404661354 4    651253 4      C-13-H3C(O)CH3
  739346.0124  0.0201 -5.3702 3  897.2649532  595161404661354 4    651353 4      C-13-H3C(O)CH3
  739346.0124  0.0201 -5.3702 3  897.2649532  595161404661254 4    651253 4      C-13-H3C(O)CH3
  739346.0124  0.0201 -4.2707 3  897.2649532  595161404661254 4    651353 4      C-13-H3C(O)CH3
  739348.7342  0.2661 -5.8553 3 1131.4213516  595161404644124 3    634221 3      C-13-H3C(O)CH3
  739363.7452  0.0156 -5.8561 3  274.2503520  595161404322210 1    311912 1      C-13-H3C(O)CH3
  739462.6708  0.6000 -6.0600 3 1216.9699A80  595161404673929 2    664026 2      C-13-H3C(O)CH3
  739475.4202  0.0052 -4.2582 3  212.4108504  595161404311121 2    30 822 2      C-13-H3C(O)CH3
  739475.4202  0.0052 -4.2582 3  212.4108504  595161404311021 2    30 922 2      C-13-H3C(O)CH3
  739484.8316  0.0219 -6.0162 3  274.2269260  595161404322210 3    311912 3      C-13-H3C(O)CH3
  739488.0237  0.0054 -4.2583 3  212.4120504  595161404311121 1    30 822 1      C-13-H3C(O)CH3
  739488.0237  0.0054 -4.2583 3  212.4120504  595161404311021 1    30 922 1      C-13-H3C(O)CH3
  739498.3813  0.4059 -5.6994 3 1131.3792A32  595161404644124 2    634221 2      C-13-H3C(O)CH3
  739526.9644  0.2394 -6.1411 3 1131.4113516  595161404644124 4    634222 4      C-13-H3C(O)CH3
  739557.1224  0.1918 -6.0752 3 1375.6306E48  59516140490 387 0    90 388 0      C-13-H3C(O)CH3
  739557.1224  0.1918 -6.0752 3 1375.6306E48  59516140490 487 0    90 288 0      C-13-H3C(O)CH3
  739558.1113  0.0117 -4.0232 3  713.7486840  595161404522725 0    512824 0      C-13-H3C(O)CH3
  739565.5829  0.3189 -5.6845 3 1131.3799A32  595161404644124 1    634221 1      C-13-H3C(O)CH3
  739610.9872  0.0130 -4.0234 3  713.7424840  595161404522725 1    512824 1      C-13-H3C(O)CH3
  739625.6822  0.0151 -4.0234 3  713.7408840  595161404522725 2    512824 2      C-13-H3C(O)CH3
  739630.6181  0.4349 -6.0576 3 1216.9610A80  595161404673929 1    664026 1      C-13-H3C(O)CH3
  739678.1134  0.0164 -4.3246 3  713.7345420  595161404522725 3    512824 3      C-13-H3C(O)CH3
  739678.6547  0.0164 -4.3246 3  713.7345420  595161404522725 4    512824 4      C-13-H3C(O)CH3
  739720.0021  0.2243 -6.1886 3 1321.4397E32  59516140489 287 1    89 288 1      C-13-H3C(O)CH3
  739720.0021  0.2243 -6.1886 3 1321.4397E32  59516140489 387 1    89 188 1      C-13-H3C(O)CH3
  739720.2518  0.2503 -6.1526 3 1321.4392E32  59516140489 387 2    89 288 2      C-13-H3C(O)CH3
  739720.2518  0.2503 -6.1526 3 1321.4392E32  59516140489 287 2    89 188 2      C-13-H3C(O)CH3
  739733.3795  0.0429 -4.2250 3  462.0271664  595161404412813 2    402714 2      C-13-H3C(O)CH3
  739743.3000  0.0299 -4.3840 3  694.6310412  595161404512823 3    502922 3      C-13-H3C(O)CH3
  739744.5687  0.0053 -4.2577 3  212.4155504  595161404311021 0    30 922 0      C-13-H3C(O)CH3
  739744.5688  0.0053 -4.2577 3  212.4155504  595161404311121 0    30 822 0      C-13-H3C(O)CH3
  739748.6773  0.0299 -4.3840 3  694.6308412  595161404512823 4    502922 4      C-13-H3C(O)CH3
  739772.7849  0.0321 -4.0824 3  694.6383824  595161404512823 2    502922 2      C-13-H3C(O)CH3
  739773.9094  0.0219 -4.0822 3  694.6409824  595161404512823 1    502922 1      C-13-H3C(O)CH3
  739775.8948  0.2222 -6.0844 3 1131.3700A32  595161404644124 2    634222 2      C-13-H3C(O)CH3
  739798.5077  0.0236 -4.0815 3  694.6483824  595161404512823 0    502922 0      C-13-H3C(O)CH3
  739812.5120  0.2421 -6.1220 3 1131.3717A32  595161404644124 1    634222 1      C-13-H3C(O)CH3
  739836.2382  0.0172 -4.0483 3  812.9103936  595161404582137 0    572236 0      C-13-H3C(O)CH3
  739836.2382  0.0172 -4.6926 3  812.9103936  595161404582137 0    572136 0      C-13-H3C(O)CH3
  739836.2382  0.0172 -4.0483 3  812.9103936  595161404582237 0    572136 0      C-13-H3C(O)CH3
  739836.2382  0.0172 -4.6926 3  812.9103936  595161404582237 0    572236 0      C-13-H3C(O)CH3
  739881.1278  0.2435 -5.5496 3 1131.3345A32  595161404644124 0    634221 0      C-13-H3C(O)CH3
  739881.4439  0.0189 -4.0283 3  812.9071936  595161404582237 1    572236 1      C-13-H3C(O)CH3
  739881.4439  0.0189 -4.7942 3  812.9071936  595161404582237 1    572136 1      C-13-H3C(O)CH3
  739881.4439  0.0189 -4.7942 3  812.9071936  595161404582137 1    572236 1      C-13-H3C(O)CH3
  739881.4439  0.0189 -4.0283 3  812.9071936  595161404582137 1    572136 1      C-13-H3C(O)CH3
  739883.6555  0.0194 -4.0164 3  812.9070936  595161404582237 2    572136 2      C-13-H3C(O)CH3
  739883.6555  0.0194 -4.8704 3  812.9070936  595161404582237 2    572236 2      C-13-H3C(O)CH3
  739883.6555  0.0194 -4.0164 3  812.9070936  595161404582137 2    572236 2      C-13-H3C(O)CH3
  739883.6555  0.0194 -4.8704 3  812.9070936  595161404582137 2    572136 2      C-13-H3C(O)CH3
  739895.5429  0.0111 -4.0227 3  713.7399840  595161404522825 0    512724 0      C-13-H3C(O)CH3
  739928.9165  0.0216 -4.2695 3  812.9038468  595161404582237 3    572136 3      C-13-H3C(O)CH3
  739928.9165  0.0216 -4.2695 3  812.9038468  595161404582137 3    572236 3      C-13-H3C(O)CH3
  739928.9165  0.0216 -5.9494 3  812.9038468  595161404582237 3    572236 3      C-13-H3C(O)CH3
  739928.9165  0.0216 -5.9494 3  812.9038468  595161404582137 3    572136 3      C-13-H3C(O)CH3
  739929.0035  0.0217 -5.9335 3  812.9038468  595161404582137 4    572136 4      C-13-H3C(O)CH3
  739929.0035  0.0217 -4.2699 3  812.9038468  595161404582137 4    572236 4      C-13-H3C(O)CH3
  739929.0035  0.0217 -4.2699 3  812.9038468  595161404582237 4    572136 4      C-13-H3C(O)CH3
  739929.0035  0.0217 -5.9335 3  812.9038468  595161404582237 4    572236 4      C-13-H3C(O)CH3
  739965.3751  0.0124 -4.0229 3  713.7333840  595161404522825 1    512724 1      C-13-H3C(O)CH3
  739983.2879  0.0128 -4.0229 3  713.7316840  595161404522825 2    512724 2      C-13-H3C(O)CH3
  740026.7290  0.0787 -4.5052 3  699.5226412  595161404512922 3    503021 3      C-13-H3C(O)CH3
  740048.1139  0.0779 -4.5052 3  699.5221412  595161404512922 4    503021 4      C-13-H3C(O)CH3
  740053.4881  0.0142 -4.3241 3  713.7249420  595161404522825 4    512724 4      C-13-H3C(O)CH3
  740053.7799  0.0142 -4.3241 3  713.7249420  595161404522825 3    512724 3      C-13-H3C(O)CH3
  740120.1195  0.0068 -4.6438 3  937.2512596 -59516140474 471 3    73 370 3      C-13-H3C(O)CH3
  740120.1195  0.0068 -4.9374 3  937.2513596 -59516140474 471 4    73 470 4      C-13-H3C(O)CH3
  740120.1195  0.0068 -4.3680 3  937.2512596 -59516140474 371 3    73 370 3      C-13-H3C(O)CH3
  740120.1195  0.0068 -4.9374 3  937.2513596 -59516140474 371 4    73 370 4      C-13-H3C(O)CH3
  740120.1423  0.0068 -4.2675 3  937.2513596  59516140474 371 4    73 470 4      C-13-H3C(O)CH3
  740120.1423  0.0068 -4.2675 3  937.2513596  59516140474 471 4    73 370 4      C-13-H3C(O)CH3
  740120.1690  0.0068 -4.6438 3  937.2512596  59516140474 371 3    73 470 3      C-13-H3C(O)CH3
  740120.1690  0.0068 -4.3680 3  937.2512596  59516140474 471 3    73 470 3      C-13-H3C(O)CH3
  740144.0613  0.0093 -4.3352 3  937.2666B92  59516140474 371 1    73 370 1      C-13-H3C(O)CH3
  740144.0613  0.0093 -4.0710 3  937.2666B92  59516140474 471 1    73 370 1      C-13-H3C(O)CH3
  740144.1090  0.0097 -4.7644 3  937.2662B92  59516140474 371 2    73 470 2      C-13-H3C(O)CH3
  740144.1090  0.0097 -3.9434 3  937.2662B92  59516140474 471 2    73 470 2      C-13-H3C(O)CH3
  740144.1131  0.0097 -3.9434 3  937.2662B92 -59516140474 371 2    73 370 2      C-13-H3C(O)CH3
  740144.1131  0.0097 -4.7644 3  937.2662B92 -59516140474 471 2    73 370 2      C-13-H3C(O)CH3
  740144.1131  0.0093 -4.3352 3  937.2666B92 -59516140474 471 1    73 470 1      C-13-H3C(O)CH3
  740144.1131  0.0093 -4.0710 3  937.2666B92 -59516140474 371 1    73 470 1      C-13-H3C(O)CH3
  740167.8198  0.0069 -5.0544 3  937.2815B92 -59516140474 371 0    73 370 0      C-13-H3C(O)CH3
  740167.8198  0.0069 -3.9126 3  937.2815B92 -59516140474 471 0    73 370 0      C-13-H3C(O)CH3
  740167.9785  0.0069 -3.9126 3  937.2815B92  59516140474 371 0    73 470 0      C-13-H3C(O)CH3
  740167.9785  0.0069 -5.0544 3  937.2815B92  59516140474 471 0    73 470 0      C-13-H3C(O)CH3
  740195.2736  0.0341 -3.9922 3  570.1425744  595161404462819 0    452718 0      C-13-H3C(O)CH3
  740228.1932  0.0132 -3.7467 3  453.6595664  595161404412615 2    402516 2      C-13-H3C(O)CH3
  740236.4940  0.0159 -4.0458 3  453.6419332  595161404412615 3    402516 3      C-13-H3C(O)CH3
  740249.4653  0.0086 -3.7468 3  453.6797664 -595161404412615 0    402516 0      C-13-H3C(O)CH3
  740296.6572  0.0090 -3.7468 3  453.6617664 -595161404412615 1    402516 1      C-13-H3C(O)CH3
  740298.9321  0.0864 -4.2024 3  699.5274824  595161404512922 2    503021 2      C-13-H3C(O)CH3
  740317.0988  0.0133 -4.0498 3  453.6409332  595161404412615 4    402516 4      C-13-H3C(O)CH3
  740377.1007  0.0530 -4.2018 3  699.5296824  595161404512922 1    503021 1      C-13-H3C(O)CH3
  740401.2904  0.0146 -4.0674 3  906.6429A80  595161404671156 0    661255 0      C-13-H3C(O)CH3
  740401.2904  0.0146 -4.5212 3  906.6429A80  595161404671156 0    661155 0      C-13-H3C(O)CH3
  740401.2904  0.0146 -4.0674 3  906.6429A80  595161404671256 0    661155 0      C-13-H3C(O)CH3
  740401.2904  0.0146 -4.5212 3  906.6429A80  595161404671256 0    661255 0      C-13-H3C(O)CH3
  740414.5737  0.0538 -4.8408 3  462.0025332  595161404412813 4    402714 4      C-13-H3C(O)CH3
  740425.8731  0.0265 -3.9576 3  906.6205A80  595161404671256 1    661155 1      C-13-H3C(O)CH3
  740425.8731  0.0265 -5.2596 3  906.6205A80  595161404671256 1    661255 1      C-13-H3C(O)CH3
  740425.8731  0.0265 -3.9576 3  906.6205A80  595161404671156 1    661255 1      C-13-H3C(O)CH3
  740425.8731  0.0265 -5.2596 3  906.6205A80  595161404671156 1    661155 1      C-13-H3C(O)CH3
  740426.0551  0.0260 -4.3324 3  906.6203A80  595161404671156 2    661255 2      C-13-H3C(O)CH3
  740426.0551  0.0260 -4.3324 3  906.6203A80  595161404671256 2    661155 2      C-13-H3C(O)CH3
  740426.0551  0.0260 -4.1596 3  906.6203A80  595161404671156 2    661155 2      C-13-H3C(O)CH3
  740426.0551  0.0260 -4.1596 3  906.6203A80  595161404671256 2    661255 2      C-13-H3C(O)CH3
  740450.6647  0.0195 -4.4451 3  906.5978540  595161404671256 3    661255 3      C-13-H3C(O)CH3
  740450.6647  0.0195 -4.6574 3  906.5978540  595161404671256 3    661155 3      C-13-H3C(O)CH3
  740450.6647  0.0195 -4.4451 3  906.5978540  595161404671156 3    661155 3      C-13-H3C(O)CH3
  740450.6647  0.0195 -4.6574 3  906.5978540  595161404671156 3    661255 3      C-13-H3C(O)CH3
  740450.6857  0.0195 -4.5284 3  906.5978540  595161404671156 4    661255 4      C-13-H3C(O)CH3
  740450.6857  0.0195 -4.5487 3  906.5978540  595161404671156 4    661155 4      C-13-H3C(O)CH3
  740450.6857  0.0195 -4.5487 3  906.5978540  595161404671256 4    661255 4      C-13-H3C(O)CH3
  740450.6857  0.0195 -4.5284 3  906.5978540  595161404671256 4    661155 4      C-13-H3C(O)CH3
  740495.6568  0.4637 -6.1540 3 1057.0493500  595161404623923 4    614021 4      C-13-H3C(O)CH3
  740524.7967  0.0061 -4.3368 3  267.2790268  595161404331518 4    321419 4      C-13-H3C(O)CH3
  740524.9975  0.0057 -4.3368 3  267.2790268  595161404331518 3    321419 3      C-13-H3C(O)CH3
  740530.7579  0.0061 -4.3368 3  267.2790268  595161404331618 4    321319 4      C-13-H3C(O)CH3
  740530.9802  0.0057 -4.3368 3  267.2790268  595161404331618 3    321319 3      C-13-H3C(O)CH3
  740549.8462  0.2858 -6.2006 3 1388.3037B28  595161404704921 2    695019 2      C-13-H3C(O)CH3
  740550.6069  0.3336 -6.2005 3 1388.2600B28  595161404704922 0    695019 0      C-13-H3C(O)CH3
  740551.0691  0.3336 -6.2005 3 1388.2600B28  595161404704921 0    695020 0      C-13-H3C(O)CH3
  740553.2106  0.0289 -3.9914 3  570.1198744  595161404462819 1    452718 1      C-13-H3C(O)CH3
  740567.0066  0.4092 -6.1157 3 1093.8969508  595161404634023 4    624121 4      C-13-H3C(O)CH3
  740583.9541  0.0076 -3.1390 3  443.7084600  5951614043737 0 0    3636 0 0      C-13-H3C(O)CH3
  740583.9541  0.0076 -3.1390 3  443.7084600  5951614043737 1 0    3636 1 0      C-13-H3C(O)CH3
  740600.2091  0.0054 -4.0358 3  267.2980536  595161404331518 2    321419 2      C-13-H3C(O)CH3
  740606.2192  0.0054 -4.0358 3  267.2980536  595161404331618 2    321319 2      C-13-H3C(O)CH3
  740626.8641  0.0054 -4.0358 3  267.3005536  595161404331518 1    321419 1      C-13-H3C(O)CH3
  740632.6256  0.0054 -4.0358 3  267.3005536  595161404331618 1    321319 1      C-13-H3C(O)CH3
  740633.7715  0.0611 -4.2001 3  699.5347824  595161404512922 0    503021 0      C-13-H3C(O)CH3
  740663.1345  0.0177 -3.9708 3  827.2668952  595161404592139 0    582138 0      C-13-H3C(O)CH3
  740663.1345  0.0177 -3.9738 3  827.2668952  595161404592039 0    582038 0      C-13-H3C(O)CH3
  740663.1345  0.0177 -5.5446 3  827.2668952  595161404592039 0    582138 0      C-13-H3C(O)CH3
  740663.1345  0.0177 -5.4457 3  827.2668952  595161404592139 0    582038 0      C-13-H3C(O)CH3
  740679.0965  0.0080 -3.1388 3  443.6353600 -5951614043737 1 2    3636 1 2      C-13-H3C(O)CH3
  740701.9910  0.0051 -4.0357 3  267.3195536  595161404331518 0    321419 0      C-13-H3C(O)CH3
  740707.2159  0.0196 -3.9599 3  827.2629952  595161404592039 1    582038 1      C-13-H3C(O)CH3
  740707.2159  0.0196 -3.9599 3  827.2629952  595161404592139 1    582138 1      C-13-H3C(O)CH3
  740707.7822  0.0051 -4.0357 3  267.3195536  595161404331618 0    321319 0      C-13-H3C(O)CH3
  740708.9732  0.0200 -3.9682 3  827.2629952  595161404592139 2    582038 2      C-13-H3C(O)CH3
  740708.9732  0.0200 -3.9682 3  827.2629952  595161404592039 2    582138 2      C-13-H3C(O)CH3
  740708.9732  0.0200 -5.6525 3  827.2629952  595161404592039 2    582038 2      C-13-H3C(O)CH3
  740708.9732  0.0200 -5.6525 3  827.2629952  595161404592139 2    582138 2      C-13-H3C(O)CH3
  740731.7762  0.3281 -6.2002 3 1388.3041B28  595161404704921 1    695019 1      C-13-H3C(O)CH3
  740753.1072  0.0223 -4.2694 3  827.2591476  595161404592139 3    582138 3      C-13-H3C(O)CH3
  740753.1072  0.0223 -5.9489 3  827.2591476  595161404592139 3    582038 3      C-13-H3C(O)CH3
  740753.1072  0.0223 -4.2694 3  827.2591476  595161404592039 3    582038 3      C-13-H3C(O)CH3
  740753.1072  0.0223 -5.9489 3  827.2591476  595161404592039 3    582138 3      C-13-H3C(O)CH3
  740753.1903  0.0223 -4.3499 3  827.2590476  595161404592039 4    582138 4      C-13-H3C(O)CH3
  740753.1903  0.0223 -4.9901 3  827.2590476  595161404592039 4    582038 4      C-13-H3C(O)CH3
  740753.1903  0.0223 -4.9901 3  827.2590476  595161404592139 4    582138 4      C-13-H3C(O)CH3
  740753.1903  0.0223 -4.3499 3  827.2590476  595161404592139 4    582038 4      C-13-H3C(O)CH3
  740783.7544  0.0082 -3.1387 3  443.6462600 -5951614043737 1 1    3636 1 1      C-13-H3C(O)CH3
  740805.9842  0.2727 -6.2005 3 1388.2604B28  595161404704922 2    695020 2      C-13-H3C(O)CH3
  740829.6934  0.0089 -3.1387 3  443.6901600 -5951614043737 0 2    3636 0 2      C-13-H3C(O)CH3
  740860.9977  0.0083 -3.1387 3  443.7203600 -5951614043737 0 1    3636 0 1      C-13-H3C(O)CH3
  740878.3274  0.0114 -3.4395 3  443.5733300  5951614043737 1 4    3636 1 4      C-13-H3C(O)CH3
  740892.6703  0.0523 -3.9907 3  570.1057744  595161404462819 2    452718 2      C-13-H3C(O)CH3
  740936.9607  0.2922 -6.2003 3 1388.2563B28  595161404704922 1    695020 1      C-13-H3C(O)CH3
  740955.3791  0.0109 -3.4395 3  443.6472300  5951614043737 0 3    3636 0 3      C-13-H3C(O)CH3
  741028.8938  0.0114 -3.4394 3  443.6279300  5951614043737 1 3    3636 1 3      C-13-H3C(O)CH3
  741078.9099  0.3865 -6.0676 3 1093.8487A16  595161404634023 2    624121 2      C-13-H3C(O)CH3
  741087.9289  0.3156 -5.7645 3 1093.8757508  595161404634023 3    624122 3      C-13-H3C(O)CH3
  741106.6218  0.0122 -3.4394 3  443.7019300  5951614043737 0 4    3636 0 4      C-13-H3C(O)CH3
  741135.6785  0.2921 -6.0879 3 1093.8487A16  595161404634023 1    624121 1      C-13-H3C(O)CH3
  741220.6107  0.0098 -4.8220 3  181.3660244  59516140430 823 4    29 624 4      C-13-H3C(O)CH3
  741220.6107  0.0098 -4.8169 3  181.3660244  59516140430 723 4    29 524 4      C-13-H3C(O)CH3
  741220.8833  0.0082 -5.0310 3  181.3659244  59516140430 823 3    29 524 3      C-13-H3C(O)CH3
  741220.8833  0.0082 -5.2211 3  181.3659244  59516140430 723 3    29 524 3      C-13-H3C(O)CH3
  741220.8833  0.0082 -5.0214 3  181.3659244  59516140430 723 3    29 624 3      C-13-H3C(O)CH3
  741220.8833  0.0082 -5.2065 3  181.3659244  59516140430 823 3    29 624 3      C-13-H3C(O)CH3
  741227.8990  0.0484 -4.2913 3  570.0832372  595161404462819 4    452718 4      C-13-H3C(O)CH3
  741248.3517  0.4218 -6.1717 3 1057.0017A00  595161404623923 2    614021 2      C-13-H3C(O)CH3
  741255.5695  0.0086 -3.9697 3  316.8097568  595161404351916 2    341817 2      C-13-H3C(O)CH3
  741266.4359  0.0515 -4.2908 3  570.0828372  595161404462819 3    452718 3      C-13-H3C(O)CH3
  741279.9794  0.3278 -5.6978 3 1050.9462500  595161404623825 4    613922 4      C-13-H3C(O)CH3
  741283.8944  0.2929 -6.2001 3 1057.0011A00  595161404623923 1    614021 1      C-13-H3C(O)CH3
  741287.6372  0.0102 -4.2705 3  316.7874284  595161404351916 3    341817 3      C-13-H3C(O)CH3
  741290.8167  0.0097 -4.2705 3  316.7874284  595161404351916 4    341817 4      C-13-H3C(O)CH3
  741317.7745  0.0059 -4.5424 3  941.7373604  59516140475 373 4    74 372 4      C-13-H3C(O)CH3
  741317.7745  0.0059 -4.4232 3  941.7373604  59516140475 273 4    74 372 4      C-13-H3C(O)CH3
  741317.7759  0.0059 -4.1780 3  941.7373604  59516140475 373 3    74 372 3      C-13-H3C(O)CH3
  741317.8563  0.0059 -4.4232 3  941.7373604 -59516140475 373 4    74 272 4      C-13-H3C(O)CH3
  741317.8563  0.0059 -4.5424 3  941.7373604 -59516140475 273 4    74 272 4      C-13-H3C(O)CH3
  741317.8563  0.0059 -4.1780 3  941.7373604 -59516140475 273 3    74 272 3      C-13-H3C(O)CH3
  741333.8093  0.0070 -3.9698 3  316.8365568  595161404351916 0    341817 0      C-13-H3C(O)CH3
  741342.3465  0.0101 -4.0813 3  941.7364C08  59516140475 373 2    74 372 2      C-13-H3C(O)CH3
  741342.4317  0.0101 -4.3016 3  941.7364C08 -59516140475 273 2    74 372 2      C-13-H3C(O)CH3
  741342.4317  0.0092 -3.8819 3  941.7368C08 -59516140475 273 1    74 272 1      C-13-H3C(O)CH3
  741342.4317  0.0092 -5.4390 3  941.7368C08 -59516140475 273 1    74 372 1      C-13-H3C(O)CH3
  741342.4317  0.0101 -4.0813 3  941.7364C08 -59516140475 273 2    74 272 2      C-13-H3C(O)CH3
  741342.4317  0.0101 -4.3016 3  941.7364C08 -59516140475 373 2    74 272 2      C-13-H3C(O)CH3
  741342.4317  0.0092 -3.8887 3  941.7368C08 -59516140475 373 1    74 372 1      C-13-H3C(O)CH3
  741342.4317  0.0092 -5.7908 3  941.7368C08 -59516140475 373 1    74 272 1      C-13-H3C(O)CH3
  741365.9544  0.0081 -3.9696 3  316.8143568  595161404351916 1    341817 1      C-13-H3C(O)CH3
  741366.9581  0.0068 -4.0706 3  941.7359C08  59516140475 373 0    74 272 0      C-13-H3C(O)CH3
  741366.9581  0.0068 -4.0740 3  941.7359C08  59516140475 273 0    74 372 0      C-13-H3C(O)CH3
  741366.9905  0.0068 -4.3141 3  941.7359C08 -59516140475 273 0    74 272 0      C-13-H3C(O)CH3
  741366.9905  0.0068 -4.3199 3  941.7359C08 -59516140475 373 0    74 372 0      C-13-H3C(O)CH3
  741491.3018  0.2823 -6.0187 3 1093.8661508  595161404634023 4    624122 4      C-13-H3C(O)CH3
  741504.3615  0.3568 -5.6807 3 1057.0127500  595161404623923 3    614022 3      C-13-H3C(O)CH3
  741504.4958  0.1974 -5.6740 3 1050.9395500  595161404623825 3    613922 3      C-13-H3C(O)CH3
  741527.3458  0.0150 -5.3953 3  915.4411A96  595161404681158 0    671157 0      C-13-H3C(O)CH3
  741527.3458  0.0150 -3.9514 3  915.4411A96  595161404681058 0    671157 0      C-13-H3C(O)CH3
  741527.3458  0.0150 -5.3953 3  915.4411A96  595161404681058 0    671057 0      C-13-H3C(O)CH3
  741527.3458  0.0150 -3.9514 3  915.4411A96  595161404681158 0    671057 0      C-13-H3C(O)CH3
  741547.3196  0.0283 -4.2106 3  915.4159A96  595161404681158 1    671157 1      C-13-H3C(O)CH3
  741547.3196  0.0283 -4.2651 3  915.4159A96  595161404681058 1    671157 1      C-13-H3C(O)CH3
  741547.3196  0.0283 -4.2106 3  915.4159A96  595161404681058 1    671057 1      C-13-H3C(O)CH3
  741547.3196  0.0283 -4.2651 3  915.4159A96  595161404681158 1    671057 1      C-13-H3C(O)CH3
  741547.4864  0.0277 -4.1333 3  915.4157A96  595161404681058 2    671157 2      C-13-H3C(O)CH3
  741547.4864  0.0277 -4.3734 3  915.4157A96  595161404681058 2    671057 2      C-13-H3C(O)CH3
  741547.4864  0.0277 -4.1333 3  915.4157A96  595161404681158 2    671057 2      C-13-H3C(O)CH3
  741547.4864  0.0277 -4.3734 3  915.4157A96  595161404681158 2    671157 2      C-13-H3C(O)CH3
  741558.7535  0.0180 -3.9604 3  841.0501968  595161404601941 0    592040 0      C-13-H3C(O)CH3
  741558.7535  0.0180 -3.9604 3  841.0501968  595161404602041 0    591940 0      C-13-H3C(O)CH3
  741567.4834  0.0188 -4.3418 3  915.3904548  595161404681158 3    671057 3      C-13-H3C(O)CH3
  741567.4834  0.0188 -4.9052 3  915.3904548  595161404681058 3    671057 3      C-13-H3C(O)CH3
  741567.4834  0.0188 -4.3418 3  915.3904548  595161404681058 3    671157 3      C-13-H3C(O)CH3
  741567.4834  0.0188 -4.9052 3  915.3904548  595161404681158 3    671157 3      C-13-H3C(O)CH3
  741567.4925  0.0188 -4.2800 3  915.3904548  595161404681158 4    671157 4      C-13-H3C(O)CH3
  741567.4925  0.0188 -5.2612 3  915.3904548  595161404681158 4    671057 4      C-13-H3C(O)CH3
  741567.4925  0.0188 -5.2612 3  915.3904548  595161404681058 4    671157 4      C-13-H3C(O)CH3
  741567.4925  0.0188 -4.2800 3  915.3904548  595161404681058 4    671057 4      C-13-H3C(O)CH3
  741601.7190  0.0201 -5.0013 3  841.0454968  595161404601941 1    592040 1      C-13-H3C(O)CH3
  741601.7190  0.0201 -4.0014 3  841.0454968  595161404601941 1    591940 1      C-13-H3C(O)CH3
  741601.7190  0.0201 -5.0013 3  841.0454968  595161404602041 1    591940 1      C-13-H3C(O)CH3
  741601.7190  0.0201 -4.0014 3  841.0454968  595161404602041 1    592040 1      C-13-H3C(O)CH3
  741603.1195  0.0205 -3.9628 3  841.0453968  595161404602041 2    592040 2      C-13-H3C(O)CH3
  741603.1195  0.0205 -6.1428 3  841.0453968  595161404602041 2    591940 2      C-13-H3C(O)CH3
  741603.1195  0.0205 -3.9628 3  841.0453968  595161404601941 2    591940 2      C-13-H3C(O)CH3
  741603.1195  0.0205 -6.1428 3  841.0453968  595161404601941 2    592040 2      C-13-H3C(O)CH3
  741636.0230  0.0073 -4.6712 3  181.3510488  59516140430 723 2    29 524 2      C-13-H3C(O)CH3
  741636.0230  0.0073 -5.0092 3  181.3510488  59516140430 723 2    29 624 2      C-13-H3C(O)CH3
  741636.0230  0.0073 -4.6952 3  181.3510488  59516140430 823 2    29 624 2      C-13-H3C(O)CH3
  741636.0230  0.0073 -4.9612 3  181.3510488  59516140430 823 2    29 524 2      C-13-H3C(O)CH3
  741643.9000  0.0077 -5.1098 3  181.3517488  59516140430 823 1    29 524 1      C-13-H3C(O)CH3
  741643.9000  0.0077 -5.0209 3  181.3517488  59516140430 723 1    29 624 1      C-13-H3C(O)CH3
  741643.9000  0.0077 -4.6320 3  181.3517488  59516140430 823 1    29 624 1      C-13-H3C(O)CH3
  741643.9000  0.0077 -4.6661 3  181.3517488  59516140430 723 1    29 524 1      C-13-H3C(O)CH3
  741645.7452  0.2466 -5.5865 3 1093.8297A16  595161404634023 2    624122 2      C-13-H3C(O)CH3
  741646.1353  0.0228 -4.7661 3  841.0406484  595161404602041 3    592040 3      C-13-H3C(O)CH3
  741646.1353  0.0228 -4.4237 3  841.0406484  595161404602041 3    591940 3      C-13-H3C(O)CH3
  741646.1353  0.0228 -4.7661 3  841.0406484  595161404601941 3    591940 3      C-13-H3C(O)CH3
  741646.1353  0.0228 -4.4237 3  841.0406484  595161404601941 3    592040 3      C-13-H3C(O)CH3
  741646.2142  0.0228 -4.9666 3  841.0406484  595161404602041 4    592040 4      C-13-H3C(O)CH3
  741646.2142  0.0228 -4.3562 3  841.0406484  595161404601941 4    592040 4      C-13-H3C(O)CH3
  741646.2142  0.0228 -4.9666 3  841.0406484  595161404601941 4    591940 4      C-13-H3C(O)CH3
  741646.2142  0.0228 -4.3562 3  841.0406484  595161404602041 4    591940 4      C-13-H3C(O)CH3
  741671.5424  0.2668 -5.5797 3 1093.8308A16  595161404634023 1    624122 1      C-13-H3C(O)CH3
  741789.1911  0.1680 -5.3803 3 1050.9122A00  595161404623825 1    613922 1      C-13-H3C(O)CH3
  741804.6899  0.2460 -5.3802 3 1050.9116A00  595161404623825 2    613922 2      C-13-H3C(O)CH3
  741970.9414  0.2584 -5.4625 3 1093.7918A16  595161404634023 0    624122 0      C-13-H3C(O)CH3
  741972.1014  0.2682 -5.8583 3 1057.0001500  595161404623923 4    614022 4      C-13-H3C(O)CH3
  742058.1911  0.0070 -4.6379 3  181.3369488  59516140430 723 0    29 524 0      C-13-H3C(O)CH3
  742058.1911  0.0070 -4.6379 3  181.3369488  59516140430 823 0    29 624 0      C-13-H3C(O)CH3
  742058.1911  0.0070 -5.0896 3  181.3369488  59516140430 723 0    29 624 0      C-13-H3C(O)CH3
  742058.1911  0.0070 -5.0896 3  181.3369488  59516140430 823 0    29 524 0      C-13-H3C(O)CH3
  742159.9138  0.3127 -5.0791 3  822.7723444  595161404553322 3    543421 3      C-13-H3C(O)CH3
  742202.4807  0.1391 -5.3752 3 1050.8811A00  595161404623825 0    613922 0      C-13-H3C(O)CH3
  742209.1782  0.0137 -5.2804 3  149.6798236  59516140429 525 3    28 326 3      C-13-H3C(O)CH3
  742209.1782  0.0137 -5.2804 3  149.6798236  59516140429 425 3    28 226 3      C-13-H3C(O)CH3
  742209.4067  0.0156 -5.2725 3  149.6798236  59516140429 425 4    28 326 4      C-13-H3C(O)CH3
  742209.4067  0.0156 -5.2725 3  149.6798236  59516140429 525 4    28 226 4      C-13-H3C(O)CH3
  742237.6351  0.2771 -5.4558 3 1056.9687A00  595161404623923 2    614022 2      C-13-H3C(O)CH3
  742241.2873  0.2586 -5.4504 3 1056.9692A00  595161404623923 1    614022 1      C-13-H3C(O)CH3
  742326.9513  0.2850 -5.0845 3  822.7675444  595161404553322 4    543421 4      C-13-H3C(O)CH3
  742475.5093  0.0048 -3.1963 3  446.8390616 -5951614043835 3 0    3734 3 0      C-13-H3C(O)CH3
  742475.5093  0.0048 -3.1963 3  446.8390616 -5951614043835 4 0    3734 4 0      C-13-H3C(O)CH3
  742476.4769  0.0252 -6.0479 3  215.2911228  5951614042822 7 3    2719 8 3      C-13-H3C(O)CH3
  742506.0985  0.0181 -3.9615 3  854.2680984  595161404611943 0    601942 0      C-13-H3C(O)CH3
  742506.0985  0.0181 -3.9615 3  854.2680984  595161404611843 0    601842 0      C-13-H3C(O)CH3
  742522.1959  0.3064 -5.9524 3 1296.4218A96  595161404684622 2    674720 2      C-13-H3C(O)CH3
  742529.0267  0.0069 -4.2416 3  945.6982612 -59516140476 275 4    75 174 4      C-13-H3C(O)CH3
  742529.0267  0.0069 -4.2539 3  945.6981612 -59516140476 275 3    75 174 3      C-13-H3C(O)CH3
  742529.0267  0.0069 -4.9966 3  945.6982612 -59516140476 175 4    75 174 4      C-13-H3C(O)CH3
  742529.0267  0.0049 -3.1962 3  446.7895616 -5951614043835 4 2    3734 4 2      C-13-H3C(O)CH3
  742529.0267  0.0069 -4.9327 3  945.6981612 -59516140476 175 3    75 174 3      C-13-H3C(O)CH3
  742529.4756  0.0069 -4.9327 3  945.6981612  59516140476 275 3    75 274 3      C-13-H3C(O)CH3
  742529.4756  0.0069 -4.2539 3  945.6981612  59516140476 175 3    75 274 3      C-13-H3C(O)CH3
  742529.4939  0.0069 -4.2416 3  945.6982612  59516140476 175 4    75 274 4      C-13-H3C(O)CH3
  742529.4939  0.0069 -4.9966 3  945.6982612  59516140476 275 4    75 274 4      C-13-H3C(O)CH3
  742547.8916  0.0206 -4.2476 3  854.2621984  595161404611843 1    601942 1      C-13-H3C(O)CH3
  742547.8916  0.0206 -4.2771 3  854.2621984  595161404611943 1    601942 1      C-13-H3C(O)CH3
  742547.8916  0.0206 -4.2771 3  854.2621984  595161404611843 1    601842 1      C-13-H3C(O)CH3
  742547.8916  0.0206 -4.2476 3  854.2621984  595161404611943 1    601842 1      C-13-H3C(O)CH3
  742548.3473  0.0112 -3.9056 3  945.6724C24  59516140476 175 2    75 274 2      C-13-H3C(O)CH3
  742548.3473  0.0112 -3.9056 3  945.6724C24  59516140476 275 2    75 174 2      C-13-H3C(O)CH3
  742548.3570  0.0099 -3.9825 3  945.6728C24 -59516140476 175 1    75 174 1      C-13-H3C(O)CH3
  742548.3570  0.0112 -4.9757 3  945.6724C24 -59516140476 175 2    75 174 2      C-13-H3C(O)CH3
  742548.3570  0.0112 -4.9757 3  945.6724C24 -59516140476 275 2    75 274 2      C-13-H3C(O)CH3
  742548.3570  0.0099 -4.5124 3  945.6728C24 -59516140476 275 1    75 174 1      C-13-H3C(O)CH3
  742548.4593  0.0099 -4.5124 3  945.6728C24  59516140476 175 1    75 274 1      C-13-H3C(O)CH3
  742548.4593  0.0099 -3.9825 3  945.6728C24  59516140476 275 1    75 274 1      C-13-H3C(O)CH3
  742549.0025  0.0208 -4.1009 3  854.2621984  595161404611943 2    601942 2      C-13-H3C(O)CH3
  742549.0025  0.0208 -4.5214 3  854.2621984  595161404611943 2    601842 2      C-13-H3C(O)CH3
  742549.0025  0.0208 -4.1009 3  854.2621984  595161404611843 2    601842 2      C-13-H3C(O)CH3
  742549.0025  0.0208 -4.5214 3  854.2621984  595161404611843 2    601942 2      C-13-H3C(O)CH3
  742550.8375  0.3575 -6.1375 3 1131.4261516  595161404644123 4    634221 4      C-13-H3C(O)CH3
  742567.2321  0.0070 -3.8876 3  945.6472C24 -59516140476 275 0    75 174 0      C-13-H3C(O)CH3
  742567.2321  0.0070 -3.8788 3  945.6472C24 -59516140476 175 0    75 274 0      C-13-H3C(O)CH3
  742567.2796  0.0070 -5.2735 3  945.6472C24  59516140476 175 0    75 174 0      C-13-H3C(O)CH3
  742567.2796  0.0070 -5.5738 3  945.6472C24  59516140476 275 0    75 274 0      C-13-H3C(O)CH3
  742590.8434  0.0231 -4.7340 3  854.2561492  595161404611943 3    601842 3      C-13-H3C(O)CH3
  742590.8434  0.0231 -4.4408 3  854.2561492  595161404611843 3    601842 3      C-13-H3C(O)CH3
  742590.8434  0.0231 -4.7340 3  854.2561492  595161404611843 3    601942 3      C-13-H3C(O)CH3
  742590.8434  0.0231 -4.4408 3  854.2561492  595161404611943 3    601942 3      C-13-H3C(O)CH3
  742590.9180  0.0231 -4.7711 3  854.2561492  595161404611943 4    601842 4      C-13-H3C(O)CH3
  742590.9180  0.0231 -4.4230 3  854.2561492  595161404611943 4    601942 4      C-13-H3C(O)CH3
  742590.9180  0.0231 -4.4230 3  854.2561492  595161404611843 4    601842 4      C-13-H3C(O)CH3
  742590.9180  0.0231 -4.7711 3  854.2561492  595161404611843 4    601942 4      C-13-H3C(O)CH3
  742602.0143  0.0051 -3.1961 3  446.7813616 -5951614043835 4 1    3734 4 1      C-13-H3C(O)CH3
  742619.3877  0.0146 -5.4788 3  215.2911228  5951614042822 6 3    2719 8 3      C-13-H3C(O)CH3
  742641.9577  0.0052 -3.1961 3  446.8181616 -5951614043835 3 2    3734 3 2      C-13-H3C(O)CH3
  742649.8316  0.3415 -5.9521 3 1296.4246A96  595161404684622 1    674720 1      C-13-H3C(O)CH3
  742655.6546  0.0075 -3.4970 3  446.7318308  5951614043835 4 4    3734 4 4      C-13-H3C(O)CH3
  742662.1071  0.0222 -5.9801 3  215.3165456  5951614042822 7 2    2719 8 2      C-13-H3C(O)CH3
  742666.2091  0.0154 -4.2837 3  923.7004B12 -595161404691060 0    68 959 0      C-13-H3C(O)CH3
  742666.2091  0.0154 -4.2837 3  923.7004B12 -59516140469 960 0    681059 0      C-13-H3C(O)CH3
  742666.2091  0.0154 -4.1932 3  923.7004B12 -59516140469 960 0    68 959 0      C-13-H3C(O)CH3
  742666.2091  0.0154 -4.1932 3  923.7004B12 -595161404691060 0    681059 0      C-13-H3C(O)CH3
  742680.0226  0.3565 -5.9522 3 1296.3720A96  595161404684623 0    674720 0      C-13-H3C(O)CH3
  742680.5725  0.0296 -4.3642 3  923.6725B12  595161404691060 1    681059 1      C-13-H3C(O)CH3
  742680.5725  0.0296 -4.3642 3  923.6725B12  59516140469 960 1    68 959 1      C-13-H3C(O)CH3
  742680.5725  0.0296 -4.1371 3  923.6725B12  595161404691060 1    68 959 1      C-13-H3C(O)CH3
  742680.5725  0.0296 -4.1371 3  923.6725B12  59516140469 960 1    681059 1      C-13-H3C(O)CH3
  742680.7498  0.0290 -5.5798 3  923.6724B12  59516140469 960 2    681059 2      C-13-H3C(O)CH3
  742680.7498  0.0290 -3.9449 3  923.6724B12  595161404691060 2    681059 2      C-13-H3C(O)CH3
  742680.7498  0.0290 -5.5798 3  923.6724B12  595161404691060 2    68 959 2      C-13-H3C(O)CH3
  742680.7498  0.0290 -3.9449 3  923.6724B12  59516140469 960 2    68 959 2      C-13-H3C(O)CH3
  742691.4506  0.2658 -5.3793 3 1056.9335A00  595161404623923 0    614022 0      C-13-H3C(O)CH3
  742695.3820  0.0180 -4.2359 3  923.6444556  595161404691060 4    68 959 4      C-13-H3C(O)CH3
  742695.3820  0.0180 -4.2359 3  923.6444556  59516140469 960 4    681059 4      C-13-H3C(O)CH3
  742695.3858  0.0180 -5.1554 3  923.6444556  59516140469 960 3    68 959 3      C-13-H3C(O)CH3
  742695.3858  0.0180 -4.2916 3  923.6444556  59516140469 960 3    681059 3      C-13-H3C(O)CH3
  742695.3858  0.0180 -4.2916 3  923.6444556  595161404691060 3    68 959 3      C-13-H3C(O)CH3
  742695.3858  0.0180 -5.1554 3  923.6444556  595161404691060 3    681059 3      C-13-H3C(O)CH3
  742703.7869  0.3568 -5.9521 3 1296.3720A96  595161404684622 0    674721 0      C-13-H3C(O)CH3
  742708.1913  0.0051 -3.1960 3  446.8326616 -5951614043835 3 1    3734 3 1      C-13-H3C(O)CH3
  742728.9744  0.2858 -5.8504 3 1131.4159516  595161404644123 3    634222 3      C-13-H3C(O)CH3
  742761.1540  0.0072 -3.4970 3  446.7832308  5951614043835 3 3    3734 3 3      C-13-H3C(O)CH3
  742768.0301  0.0075 -3.4969 3  446.7604308  5951614043835 4 3    3734 4 3      C-13-H3C(O)CH3
  742769.2327  0.0159 -5.3898 3  215.3107228  5951614042822 6 4    2719 8 4      C-13-H3C(O)CH3
  742828.3091  0.3532 -6.0805 3 1131.3792A32  595161404644123 2    634221 2      C-13-H3C(O)CH3
  742835.3571  0.0159 -5.7513 3  149.6363472  59516140429 425 2    28 326 2      C-13-H3C(O)CH3
  742835.3571  0.0159 -5.0477 3  149.6363472  59516140429 425 2    28 226 2      C-13-H3C(O)CH3
  742835.3571  0.0159 -5.0477 3  149.6363472  59516140429 525 2    28 326 2      C-13-H3C(O)CH3
  742835.3571  0.0159 -5.7513 3  149.6363472  59516140429 525 2    28 226 2      C-13-H3C(O)CH3
  742839.0067  0.0167 -5.9141 3  149.6368472  59516140429 525 1    28 326 1      C-13-H3C(O)CH3
  742839.0067  0.0167 -6.1107 3  149.6368472  59516140429 425 1    28 226 1      C-13-H3C(O)CH3
  742839.0067  0.0167 -5.0020 3  149.6368472  59516140429 525 1    28 226 1      C-13-H3C(O)CH3
  742839.0067  0.0167 -5.0219 3  149.6368472  59516140429 425 1    28 326 1      C-13-H3C(O)CH3
  742871.6573  0.2960 -5.9523 3 1296.3932A96  595161404684623 2    674721 2      C-13-H3C(O)CH3
  742873.8730  0.0074 -3.4968 3  446.8116308  5951614043835 3 4    3734 3 4      C-13-H3C(O)CH3
  742909.1229  0.2991 -6.1180 3 1131.3799A32  595161404644123 1    634221 1      C-13-H3C(O)CH3
  742994.5021  0.3233 -6.1557 3 1131.4113516  595161404644123 4    634222 4      C-13-H3C(O)CH3
  743044.9217  0.0115 -5.1038 3  215.3169456  5951614042822 6 1    2719 8 1      C-13-H3C(O)CH3
  743055.7604  0.3410 -5.9520 3 1296.3919A96  595161404684623 1    674721 1      C-13-H3C(O)CH3
  743099.4362  0.0136 -5.3839 3  215.2457228  5951614042822 7 4    2719 9 4      C-13-H3C(O)CH3
  743105.8226  0.2492 -5.6940 3 1131.3700A32  595161404644123 2    634222 2      C-13-H3C(O)CH3
  743156.0521  0.2883 -5.6792 3 1131.3717A32  595161404644123 1    634222 1      C-13-H3C(O)CH3
  743218.2929  0.3216 -4.7768 3  822.7574888  595161404553322 2    543421 2      C-13-H3C(O)CH3
  743243.3608  0.0145 -5.4797 3  215.2655228  5951614042822 7 3    2719 9 3      C-13-H3C(O)CH3
  743364.8210  0.2045 -4.7759 3  822.7565888  595161404553322 1    543421 1      C-13-H3C(O)CH3
  743371.2284  0.2696 -5.5446 3 1131.3291A32  595161404644123 0    634222 0      C-13-H3C(O)CH3
  743386.2716  0.0246 -6.0460 3  215.2655228  5951614042822 6 3    2719 9 3      C-13-H3C(O)CH3
  743400.2068  0.0119 -5.1369 3  215.3165456  5951614042822 6 2    2719 8 2      C-13-H3C(O)CH3
  743461.8734  0.0110 -5.1014 3  215.2736456  5951614042822 7 1    2719 9 1      C-13-H3C(O)CH3
  743463.7764  0.0151 -4.9799 3  149.5934472  59516140429 425 0    28 226 0      C-13-H3C(O)CH3
  743463.7764  0.0151 -4.9799 3  149.5934472  59516140429 525 0    28 326 0      C-13-H3C(O)CH3
  743493.4326  0.0179 -4.7625 3  866.9265A00  595161404621845 0    611744 0      C-13-H3C(O)CH3
  743493.4326  0.0179 -3.9806 3  866.9265A00  595161404621745 0    611744 0      C-13-H3C(O)CH3
  743493.4326  0.0179 -4.0374 3  866.9265A00  595161404621845 0    611844 0      C-13-H3C(O)CH3
  743493.4326  0.0179 -5.3522 3  866.9265A00  595161404621745 0    611844 0      C-13-H3C(O)CH3
  743509.7590  0.0115 -5.0785 3  215.3281456  5951614042822 7 0    2719 8 0      C-13-H3C(O)CH3
  743515.3445  0.0066 -4.2913 3  291.9804276  595161404341717 3    331618 3      C-13-H3C(O)CH3
  743515.6024  0.0068 -4.2913 3  291.9804276  595161404341717 4    331618 4      C-13-H3C(O)CH3
  743533.9292  0.0210 -3.9736 3  866.9191A00  595161404621845 1    611844 1      C-13-H3C(O)CH3
  743533.9292  0.0210 -5.5586 3  866.9191A00  595161404621845 1    611744 1      C-13-H3C(O)CH3
  743533.9292  0.0210 -5.5586 3  866.9191A00  595161404621745 1    611844 1      C-13-H3C(O)CH3
  743533.9292  0.0210 -3.9736 3  866.9191A00  595161404621745 1    611744 1      C-13-H3C(O)CH3
  743534.7994  0.0211 -5.0272 3  866.9190A00  595161404621845 2    611744 2      C-13-H3C(O)CH3
  743534.7994  0.0211 -4.0016 3  866.9190A00  595161404621845 2    611844 2      C-13-H3C(O)CH3
  743534.7994  0.0211 -5.0272 3  866.9190A00  595161404621745 2    611844 2      C-13-H3C(O)CH3
  743534.7994  0.0211 -4.0016 3  866.9190A00  595161404621745 2    611744 2      C-13-H3C(O)CH3
  743536.7801  0.0060 -3.9904 3  292.0020552  595161404341717 2    331618 2      C-13-H3C(O)CH3
  743575.3413  0.0232 -5.2076 3  866.9116500  595161404621745 3    611844 3      C-13-H3C(O)CH3
  743575.3413  0.0232 -4.3159 3  866.9116500  595161404621745 3    611744 3      C-13-H3C(O)CH3
  743575.3413  0.0232 -5.2076 3  866.9116500  595161404621845 3    611744 3      C-13-H3C(O)CH3
  743575.3413  0.0232 -4.3159 3  866.9116500  595161404621845 3    611844 3      C-13-H3C(O)CH3
  743575.4111  0.0232 -5.6783 3  866.9116500  595161404621845 4    611844 4      C-13-H3C(O)CH3
  743575.4111  0.0232 -5.6783 3  866.9116500  595161404621745 4    611744 4      C-13-H3C(O)CH3
  743575.4111  0.0232 -4.2805 3  866.9116500  595161404621745 4    611844 4      C-13-H3C(O)CH3
  743575.4111  0.0232 -4.2805 3  866.9116500  595161404621845 4    611744 4      C-13-H3C(O)CH3
  743579.1002  0.0059 -3.9904 3  292.0054552  595161404341717 1    331618 1      C-13-H3C(O)CH3
  743585.4457  0.0122 -5.1334 3  215.2857456  5951614042822 7 2    2719 9 2      C-13-H3C(O)CH3
  743600.5747  0.0055 -3.9905 3  292.0269552  595161404341717 0    331618 0      C-13-H3C(O)CH3
  743607.2902  0.0103 -4.9302 3  233.6080488  595161404301911 2    291614 2      C-13-H3C(O)CH3
  743663.8548  0.0095 -4.9305 3  233.6262488  595161404301911 0    291614 0      C-13-H3C(O)CH3
  743684.1922  0.0121 -5.2337 3  233.5951244  595161404301911 4    291614 4      C-13-H3C(O)CH3
  743699.6971  0.0067 -4.2911 3  291.9802276  595161404341817 4    331518 4      C-13-H3C(O)CH3
  743699.8403  0.0064 -4.2911 3  291.9802276  595161404341817 3    331518 3      C-13-H3C(O)CH3
  743701.4553  0.0129 -5.2338 3  233.5951244  595161404301911 3    291614 3      C-13-H3C(O)CH3
  743722.2315  0.0060 -3.9903 3  292.0018552  595161404341817 2    331518 2      C-13-H3C(O)CH3
  743749.1840  0.0104 -4.9331 3  233.6132488  595161404301911 1    291614 1      C-13-H3C(O)CH3
  743758.0947  0.0114 -4.1882 3  949.1370620 -59516140477 177 3    76 176 3      C-13-H3C(O)CH3
  743758.0947  0.0114 -4.6093 3  949.1370620 -59516140477 077 4    76 076 4      C-13-H3C(O)CH3
  743758.0947  0.0114 -4.3572 3  949.1370620 -59516140477 177 4    76 076 4      C-13-H3C(O)CH3
  743758.0947  0.0114 -5.4320 3  949.1370620 -59516140477 077 3    76 176 3      C-13-H3C(O)CH3
  743758.1024  0.0114 -4.3572 3  949.1370620  59516140477 077 4    76 176 4      C-13-H3C(O)CH3
  743758.1024  0.0114 -4.6093 3  949.1370620  59516140477 177 4    76 176 4      C-13-H3C(O)CH3
  743758.1213  0.0114 -4.1882 3  949.1370620  59516140477 077 3    76 076 3      C-13-H3C(O)CH3
  743758.1213  0.0114 -5.4320 3  949.1370620  59516140477 177 3    76 076 3      C-13-H3C(O)CH3
  743758.6749  0.0059 -3.9902 3  292.0052552  595161404341817 1    331518 1      C-13-H3C(O)CH3
  743760.9100  0.0176 -5.0524 3  949.0742C40  59516140477 077 1    76 076 1      C-13-H3C(O)CH3
  743760.9100  0.0176 -5.0524 3  949.0742C40  59516140477 177 1    76 176 1      C-13-H3C(O)CH3
  743760.9927  0.0176 -3.8920 3  949.0742C40 -59516140477 177 1    76 076 1      C-13-H3C(O)CH3
  743760.9927  0.0176 -3.8920 3  949.0742C40 -59516140477 077 1    76 176 1      C-13-H3C(O)CH3
  743760.9927  0.0203 -4.1874 3  949.0740C40 -59516140477 077 2    76 076 2      C-13-H3C(O)CH3
  743760.9927  0.0203 -4.1874 3  949.0740C40 -59516140477 177 2    76 176 2      C-13-H3C(O)CH3
  743761.1017  0.0203 -4.1418 3  949.0740C40  59516140477 177 2    76 076 2      C-13-H3C(O)CH3
  743761.1017  0.0203 -4.1418 3  949.0740C40  59516140477 077 2    76 176 2      C-13-H3C(O)CH3
  743763.8711  0.0132 -3.8842 3  949.0113C40  59516140477 177 0    76 176 0      C-13-H3C(O)CH3
  743763.8711  0.0132 -3.8842 3  949.0113C40  59516140477 077 0    76 076 0      C-13-H3C(O)CH3
  743763.9369  0.0132 -5.1819 3  949.0113C40 -59516140477 177 0    76 076 0      C-13-H3C(O)CH3
  743763.9369  0.0132 -5.1819 3  949.0113C40 -59516140477 077 0    76 176 0      C-13-H3C(O)CH3
  743781.1397  0.0055 -3.9903 3  292.0267552  595161404341817 0    331518 0      C-13-H3C(O)CH3
  743816.2050  0.0157 -3.9357 3  931.4217B28 -59516140470 962 0    69 961 0      C-13-H3C(O)CH3
  743816.2050  0.0157 -3.9357 3  931.4217B28 -59516140470 862 0    69 861 0      C-13-H3C(O)CH3
  743822.5005  0.0300 -3.9529 3  931.3916B28 -59516140470 962 1    69 961 1      C-13-H3C(O)CH3
  743822.5005  0.0295 -5.1509 3  931.3914B28 -59516140470 962 2    69 961 2      C-13-H3C(O)CH3
  743822.5005  0.0300 -5.2925 3  931.3916B28 -59516140470 862 1    69 961 1      C-13-H3C(O)CH3
  743822.5005  0.0300 -3.9572 3  931.3916B28 -59516140470 862 1    69 861 1      C-13-H3C(O)CH3
  743822.5005  0.0295 -3.9606 3  931.3914B28 -59516140470 862 2    69 961 2      C-13-H3C(O)CH3
  743822.5005  0.0295 -3.9606 3  931.3914B28 -59516140470 962 2    69 861 2      C-13-H3C(O)CH3
  743822.5005  0.0295 -5.1509 3  931.3914B28 -59516140470 862 2    69 861 2      C-13-H3C(O)CH3
  743822.5005  0.0300 -5.2074 3  931.3916B28 -59516140470 962 1    69 861 1      C-13-H3C(O)CH3
  743833.6259  0.0170 -4.9483 3  931.3612564  59516140470 862 4    69 961 4      C-13-H3C(O)CH3
  743833.6259  0.0170 -4.3277 3  931.3612564  59516140470 862 4    69 861 4      C-13-H3C(O)CH3
  743833.6259  0.0170 -4.9483 3  931.3612564  59516140470 962 4    69 861 4      C-13-H3C(O)CH3
  743833.6259  0.0170 -4.3277 3  931.3612564  59516140470 962 4    69 961 4      C-13-H3C(O)CH3
  743833.6431  0.0170 -4.3802 3  931.3613564  59516140470 962 3    69 861 3      C-13-H3C(O)CH3
  743833.6431  0.0170 -4.7793 3  931.3613564  59516140470 862 3    69 861 3      C-13-H3C(O)CH3
  743833.6431  0.0170 -4.3802 3  931.3613564  59516140470 862 3    69 961 3      C-13-H3C(O)CH3
  743833.6431  0.0170 -4.7793 3  931.3613564  59516140470 962 3    69 961 3      C-13-H3C(O)CH3
  743941.2799  0.3174 -5.9303 3 1169.6343524  595161404654224 4    644321 4      C-13-H3C(O)CH3
  744047.0551  0.3054 -5.9579 3 1169.6343524  595161404654224 3    644321 3      C-13-H3C(O)CH3
  744116.3014  0.0114 -5.0781 3  215.3079456  5951614042822 6 0    2719 9 0      C-13-H3C(O)CH3
  744157.0438  0.0044 -3.2659 3  451.5992632 -5951614043933 7 0    3832 6 0      C-13-H3C(O)CH3
  744157.0438  0.0044 -3.2659 3  451.5992632 -5951614043933 6 0    3832 7 0      C-13-H3C(O)CH3
  744193.4446  0.3149 -5.6402 3 1169.5894A48  595161404654224 2    644321 2      C-13-H3C(O)CH3
  744209.9533  0.0048 -3.2659 3  451.5709632 -5951614043933 7 2    3832 7 2      C-13-H3C(O)CH3
  744235.5905  0.0048 -3.2658 3  451.5529632 -5951614043933 7 1    3832 7 1      C-13-H3C(O)CH3
  744254.0444  0.2722 -5.6328 3 1169.5913A48  595161404654224 1    644321 1      C-13-H3C(O)CH3
  744276.4143  0.0049 -3.2659 3  451.5882632 -5951614043933 6 2    3832 6 2      C-13-H3C(O)CH3
  744289.3748  0.0066 -3.5669 3  451.5245316  5951614043933 7 4    3832 7 4      C-13-H3C(O)CH3
  744323.5454  0.0214 -5.9824 3  215.2857456  5951614042822 6 2    2719 9 2      C-13-H3C(O)CH3
  744342.3854  0.2248 -4.7719 3  822.7441888  595161404553322 0    543421 0      C-13-H3C(O)CH3
  744343.6258  0.0049 -3.2657 3  451.5856632 -5951614043933 6 1    3832 6 1      C-13-H3C(O)CH3
  744355.3394  0.0067 -3.5668 3  451.5420316  5951614043933 7 3    3832 7 3      C-13-H3C(O)CH3
  744396.9607  0.0067 -3.5667 3  451.5574316  5951614043933 6 3    3832 6 3      C-13-H3C(O)CH3
  744456.4037  0.2793 -5.6291 3 1169.5465A48  595161404654224 0    644321 0      C-13-H3C(O)CH3
  744462.5327  0.0071 -3.5667 3  451.5746316  5951614043933 6 4    3832 6 4      C-13-H3C(O)CH3
  744512.4918  0.0175 -4.0429 3  879.0302A16  595161404631747 0    621646 0      C-13-H3C(O)CH3
  744512.4918  0.0175 -3.9839 3  879.0302A16  595161404631647 0    621746 0      C-13-H3C(O)CH3
  744512.4918  0.0175 -5.3123 3  879.0302A16  595161404631647 0    621646 0      C-13-H3C(O)CH3
  744512.4918  0.0175 -4.7435 3  879.0302A16  595161404631747 0    621746 0      C-13-H3C(O)CH3
  744551.4942  0.0214 -3.9643 3  879.0211A16  595161404631647 1    621646 1      C-13-H3C(O)CH3
  744551.4942  0.0214 -3.9643 3  879.0211A16  595161404631747 1    621746 1      C-13-H3C(O)CH3
  744552.1622  0.0214 -4.0825 3  879.0209A16  595161404631747 2    621746 2      C-13-H3C(O)CH3
  744552.1622  0.0214 -4.0825 3  879.0209A16  595161404631647 2    621646 2      C-13-H3C(O)CH3
  744552.1622  0.0214 -4.5858 3  879.0209A16  595161404631647 2    621746 2      C-13-H3C(O)CH3
  744552.1622  0.0214 -4.5858 3  879.0209A16  595161404631747 2    621646 2      C-13-H3C(O)CH3
  744591.2073  0.0232 -5.0862 3  879.0118508  595161404631747 3    621646 3      C-13-H3C(O)CH3
  744591.2073  0.0232 -4.3360 3  879.0118508  595161404631747 3    621746 3      C-13-H3C(O)CH3
  744591.2073  0.0232 -4.6217 3  879.0118508  595161404631647 3    621646 3      C-13-H3C(O)CH3
  744591.2073  0.0232 -4.5167 3  879.0118508  595161404631647 3    621746 3      C-13-H3C(O)CH3
  744591.2717  0.0232 -4.2696 3  879.0118508  595161404631647 4    621646 4      C-13-H3C(O)CH3
  744591.2717  0.0232 -4.2696 3  879.0118508  595161404631747 4    621746 4      C-13-H3C(O)CH3
  744692.0611  0.0461 -5.8197 3  466.7818664  595161404412913 2    402812 2      C-13-H3C(O)CH3
  744715.9639  0.0068 -3.9680 3  316.8037568  595161404352016 2    341717 2      C-13-H3C(O)CH3
  744730.6211  0.0063 -3.9681 3  316.8307568  595161404352016 0    341717 0      C-13-H3C(O)CH3
  744731.1921  0.0073 -4.2688 3  316.7814284  595161404352016 4    341717 4      C-13-H3C(O)CH3
  744732.3810  0.0071 -4.2688 3  316.7814284  595161404352016 3    341717 3      C-13-H3C(O)CH3
  744746.7444  0.0065 -3.9679 3  316.8085568  595161404352016 1    341717 1      C-13-H3C(O)CH3
  744748.5525  0.4058 -5.5941 3 1020.8277492  595161404613823 3    603922 3      C-13-H3C(O)CH3
  744827.2150  0.0163 -6.0771 3  177.3594424  5951614042619 8 1    251411 1      C-13-H3C(O)CH3
  744978.0256  0.0154 -4.2547 3  938.6058B44  59516140471 764 0    70 763 0      C-13-H3C(O)CH3
  744978.0256  0.0154 -4.2114 3  938.6058B44  59516140471 764 0    70 863 0      C-13-H3C(O)CH3
  744978.0256  0.0154 -4.2547 3  938.6058B44  59516140471 864 0    70 863 0      C-13-H3C(O)CH3
  744978.0256  0.0154 -4.2114 3  938.6058B44  59516140471 864 0    70 763 0      C-13-H3C(O)CH3
  744979.7921  0.0290 -4.0545 3  938.5742B44  59516140471 764 1    70 763 1      C-13-H3C(O)CH3
  744979.7921  0.0290 -4.0545 3  938.5742B44  59516140471 864 1    70 863 1      C-13-H3C(O)CH3
  744979.7921  0.0290 -4.5391 3  938.5742B44  59516140471 864 1    70 763 1      C-13-H3C(O)CH3
  744979.7921  0.0290 -4.5391 3  938.5742B44  59516140471 764 1    70 863 1      C-13-H3C(O)CH3
  744980.0275  0.0285 -4.2095 3  938.5740B44  59516140471 864 2    70 763 2      C-13-H3C(O)CH3
  744980.0275  0.0285 -4.2566 3  938.5740B44  59516140471 764 2    70 763 2      C-13-H3C(O)CH3
  744980.0275  0.0285 -4.2566 3  938.5740B44  59516140471 864 2    70 863 2      C-13-H3C(O)CH3
  744980.0275  0.0285 -4.2095 3  938.5740B44  59516140471 764 2    70 863 2      C-13-H3C(O)CH3
  744981.7753  0.0158 -4.4641 3  938.5423572  59516140471 764 4    70 763 4      C-13-H3C(O)CH3
  744981.7753  0.0158 -4.6159 3  938.5423572  59516140471 764 4    70 863 4      C-13-H3C(O)CH3
  744981.7753  0.0158 -4.4641 3  938.5423572  59516140471 864 4    70 863 4      C-13-H3C(O)CH3
  744981.7753  0.0158 -4.6159 3  938.5423572  59516140471 864 4    70 763 4      C-13-H3C(O)CH3
  744981.8052  0.0158 -4.3459 3  938.5424572  59516140471 864 3    70 863 3      C-13-H3C(O)CH3
  744981.8052  0.0158 -4.8706 3  938.5424572  59516140471 864 3    70 763 3      C-13-H3C(O)CH3
  744981.8052  0.0158 -4.8706 3  938.5424572  59516140471 764 3    70 863 3      C-13-H3C(O)CH3
  744981.8052  0.0158 -4.3459 3  938.5424572  59516140471 764 3    70 763 3      C-13-H3C(O)CH3
  745010.5302  0.0294 -5.4143 3  466.7631664  595161404412913 1    402812 1      C-13-H3C(O)CH3
  745180.4068  0.0057 -5.9972 3  477.8734680  595161404422716 1    412616 1      C-13-H3C(O)CH3
  745199.2294  0.2932 -5.6991 3 1020.8149492  595161404613823 4    603922 4      C-13-H3C(O)CH3
  745224.1551  0.0056 -5.4850 3  477.8729680  595161404422716 2    412616 2      C-13-H3C(O)CH3
  745259.0675  0.0064 -5.4141 3  477.8557340  595161404422716 4    412616 4      C-13-H3C(O)CH3
  745398.4702  0.0042 -3.3543 3  458.1494648 -595161404403110 0    3930 9 0      C-13-H3C(O)CH3
  745398.4702  0.0042 -3.3543 3  458.1494648 -5951614044031 9 0    393010 0      C-13-H3C(O)CH3
  745434.2533  0.0541 -5.2535 3  466.7557332  595161404412913 3    402812 3      C-13-H3C(O)CH3
  745453.7507  0.0051 -3.3544 3  458.1157648 -595161404403110 1    393010 1      C-13-H3C(O)CH3
  745477.3269  0.0049 -3.3543 3  458.1325648 -595161404403110 2    393010 2      C-13-H3C(O)CH3
  745492.8531  0.0352 -4.0751 3  669.7813808  595161404502922 0    492821 0      C-13-H3C(O)CH3
  745508.1496  0.0046 -3.3544 3  458.1530648 -5951614044031 9 2    3930 9 2      C-13-H3C(O)CH3
  745510.0515  0.0049 -3.4778 3  466.7703664 -595161404412913 0    402812 0      C-13-H3C(O)CH3
  745533.3318  0.0066 -3.6553 3  458.0985324  595161404403110 4    393010 4      C-13-H3C(O)CH3
  745549.9947  0.0046 -3.3542 3  458.1377648 -5951614044031 9 1    3930 9 1      C-13-H3C(O)CH3
  745557.3722  0.0170 -5.2145 3  890.5830A32  595161404641549 0    631548 0      C-13-H3C(O)CH3
  745557.3722  0.0170 -3.9907 3  890.5830A32  595161404641549 0    631648 0      C-13-H3C(O)CH3
  745557.3722  0.0170 -3.9907 3  890.5830A32  595161404641649 0    631548 0      C-13-H3C(O)CH3
  745557.3722  0.0170 -5.2145 3  890.5830A32  595161404641649 0    631648 0      C-13-H3C(O)CH3
  745564.4044  0.0062 -3.6555 3  458.1192324  595161404403110 3    393010 3      C-13-H3C(O)CH3
  745594.6023  0.0221 -6.1135 3  890.5718A32  595161404641549 1    631648 1      C-13-H3C(O)CH3
  745594.6023  0.0221 -3.9686 3  890.5718A32  595161404641649 1    631648 1      C-13-H3C(O)CH3
  745594.6023  0.0221 -6.1135 3  890.5718A32  595161404641649 1    631548 1      C-13-H3C(O)CH3
  745594.6023  0.0221 -3.9686 3  890.5718A32  595161404641549 1    631548 1      C-13-H3C(O)CH3
  745595.1011  0.0220 -5.0199 3  890.5717A32  595161404641649 2    631548 2      C-13-H3C(O)CH3
  745595.1011  0.0220 -3.9689 3  890.5717A32  595161404641649 2    631648 2      C-13-H3C(O)CH3
  745595.1011  0.0220 -6.0657 3  890.5717A32  595161404641549 2    631648 2      C-13-H3C(O)CH3
  745595.1011  0.0220 -4.0056 3  890.5717A32  595161404641549 2    631548 2      C-13-H3C(O)CH3
  745595.7623  0.0162 -6.0697 3  177.3484424  5951614042619 8 2    251411 2      C-13-H3C(O)CH3
  745628.7023  0.0059 -3.4828 3  466.7425664 -595161404412913 1    402813 1      C-13-H3C(O)CH3
  745629.6934  0.0061 -3.6552 3  458.1207324 -5951614044031 9 3    3930 9 3      C-13-H3C(O)CH3
  745632.3713  0.0230 -4.7251 3  890.5606516  595161404641549 3    631648 3      C-13-H3C(O)CH3
  745632.3713  0.0230 -4.7251 3  890.5606516  595161404641649 3    631548 3      C-13-H3C(O)CH3
  745632.3713  0.0230 -4.4521 3  890.5606516  595161404641649 3    631648 3      C-13-H3C(O)CH3
  745632.3713  0.0230 -4.4521 3  890.5606516  595161404641549 3    631548 3      C-13-H3C(O)CH3
  745632.4296  0.0230 -5.9834 3  890.5605516  595161404641649 4    631548 4      C-13-H3C(O)CH3
  745632.4296  0.0230 -5.9834 3  890.5605516  595161404641549 4    631648 4      C-13-H3C(O)CH3
  745632.4296  0.0230 -4.2749 3  890.5605516  595161404641549 4    631548 4      C-13-H3C(O)CH3
  745632.4296  0.0230 -4.2749 3  890.5605516  595161404641649 4    631648 4      C-13-H3C(O)CH3
  745643.8427  0.2724 -5.3265 3 1020.7877984  595161404613823 1    603922 1      C-13-H3C(O)CH3
  745647.4953  0.0049 -3.4777 3  466.7671664  595161404412912 0    402813 0      C-13-H3C(O)CH3
  745655.0521  0.3425 -5.3302 3 1020.7877984  595161404613823 2    603922 2      C-13-H3C(O)CH3
  745660.1614  0.0061 -3.6554 3  458.1412324  5951614044031 9 4    3930 9 4      C-13-H3C(O)CH3
  745693.8782  0.0056 -3.4793 3  466.7484664 -595161404412913 2    402813 2      C-13-H3C(O)CH3
  745710.1668  0.0049 -3.4828 3  466.7631664 -595161404412912 1    402812 1      C-13-H3C(O)CH3
  745715.8903  0.0051 -3.4797 3  466.7818664 -595161404412912 2    402812 2      C-13-H3C(O)CH3
  745739.8671  0.0068 -3.7791 3  466.7222332  595161404412913 4    402813 4      C-13-H3C(O)CH3
  745751.7294  0.2782 -5.9556 3 1169.6315524  595161404654223 3    644322 3      C-13-H3C(O)CH3
  745760.5367  0.0066 -3.7936 3  466.7557332  595161404412912 3    402812 3      C-13-H3C(O)CH3
  745786.0072  0.0286 -4.0753 3  669.7641808  595161404502922 1    492821 1      C-13-H3C(O)CH3
  745831.7195  0.0063 -3.7931 3  466.7424332  595161404412913 3    402813 3      C-13-H3C(O)CH3
  745852.3413  0.0058 -3.7795 3  466.7759332  595161404412912 4    402812 4      C-13-H3C(O)CH3
  745857.9005  0.2543 -5.9279 3 1169.6317524  595161404654223 4    644322 4      C-13-H3C(O)CH3
  745917.1494  0.0450 -4.0754 3  669.7572808  595161404502922 2    492821 2      C-13-H3C(O)CH3
  745954.6826  0.2509 -5.6378 3 1169.5870A48  595161404654223 2    644322 2      C-13-H3C(O)CH3
  745989.8499  0.0063 -4.4517 3  237.0650260  595161404321220 4    311121 4      C-13-H3C(O)CH3
  745989.8565  0.0063 -4.4517 3  237.0650260  595161404321320 4    311021 4      C-13-H3C(O)CH3
  745990.2374  0.0054 -4.4517 3  237.0650260  595161404321220 3    311121 3      C-13-H3C(O)CH3
  745990.2440  0.0054 -4.4517 3  237.0650260  595161404321320 3    311021 3      C-13-H3C(O)CH3
  746048.3781  0.3024 -5.6305 3 1169.5886A48  595161404654223 1    644322 1      C-13-H3C(O)CH3
  746123.4450  0.0162 -6.1853 3  177.3594424  5951614042619 7 1    251411 1      C-13-H3C(O)CH3
  746139.6456  0.0141 -4.2903 3  945.1891580  59516140472 666 4    71 765 4      C-13-H3C(O)CH3
  746139.6456  0.0141 -5.1147 3  945.1891580  59516140472 766 4    71 765 4      C-13-H3C(O)CH3
  746139.6456  0.0141 -5.1147 3  945.1891580  59516140472 666 4    71 665 4      C-13-H3C(O)CH3
  746139.6456  0.0141 -4.2903 3  945.1891580  59516140472 766 4    71 665 4      C-13-H3C(O)CH3
  746139.6858  0.0141 -4.3838 3  945.1891580  59516140472 766 3    71 765 3      C-13-H3C(O)CH3
  746139.6858  0.0141 -4.7545 3  945.1891580  59516140472 766 3    71 665 3      C-13-H3C(O)CH3
  746139.6858  0.0141 -4.7545 3  945.1891580  59516140472 666 3    71 765 3      C-13-H3C(O)CH3
  746139.6858  0.0141 -4.3838 3  945.1891580  59516140472 666 3    71 665 3      C-13-H3C(O)CH3
  746144.8405  0.0262 -4.1245 3  945.2212B60  59516140472 666 1    71 765 1      C-13-H3C(O)CH3
  746144.8405  0.0262 -4.1245 3  945.2212B60  59516140472 766 1    71 665 1      C-13-H3C(O)CH3
  746144.8405  0.0262 -4.3690 3  945.2212B60  59516140472 766 1    71 765 1      C-13-H3C(O)CH3
  746144.8405  0.0262 -4.3690 3  945.2212B60  59516140472 666 1    71 665 1      C-13-H3C(O)CH3
  746145.0921  0.0258 -4.0711 3  945.2210B60  59516140472 666 2    71 765 2      C-13-H3C(O)CH3
  746145.0921  0.0258 -4.4823 3  945.2210B60  59516140472 666 2    71 665 2      C-13-H3C(O)CH3
  746145.0921  0.0258 -4.0711 3  945.2210B60  59516140472 766 2    71 665 2      C-13-H3C(O)CH3
  746145.0921  0.0258 -4.4823 3  945.2210B60  59516140472 766 2    71 765 2      C-13-H3C(O)CH3
  746149.6547  0.0142 -4.2311 3  945.2530B60 -59516140472 666 0    71 765 0      C-13-H3C(O)CH3
  746149.6547  0.0142 -4.2311 3  945.2530B60 -59516140472 766 0    71 665 0      C-13-H3C(O)CH3
  746150.2535  0.0142 -4.2286 3  945.2530B60  59516140472 666 0    71 665 0      C-13-H3C(O)CH3
  746150.2535  0.0142 -4.2286 3  945.2530B60  59516140472 766 0    71 765 0      C-13-H3C(O)CH3
  746158.0028  0.0552 -5.2529 3  466.7424332  595161404412912 3    402813 3      C-13-H3C(O)CH3
  746159.0235  0.2541 -6.1500 3 1516.7378E96  59516140493 588 0    93 489 0      C-13-H3C(O)CH3
  746159.0235  0.2541 -6.1500 3 1516.7378E96  59516140493 688 0    93 589 0      C-13-H3C(O)CH3
  746163.3191  0.0051 -4.1505 3  237.0771520  595161404321220 2    311121 2      C-13-H3C(O)CH3
  746163.3257  0.0051 -4.1505 3  237.0771520  595161404321320 2    311021 2      C-13-H3C(O)CH3
  746179.4647  0.0052 -4.1505 3  237.0787520  595161404321220 1    311121 1      C-13-H3C(O)CH3
  746179.4709  0.0052 -4.1505 3  237.0787520  595161404321320 1    311021 1      C-13-H3C(O)CH3
  746197.9304  0.2931 -5.6267 3 1169.5441A48  595161404654223 0    644322 0      C-13-H3C(O)CH3
  746208.3275  0.0387 -4.3767 3  669.7400404  595161404502922 4    492821 4      C-13-H3C(O)CH3
  746218.5964  0.0385 -4.3766 3  669.7398404  595161404502922 3    492821 3      C-13-H3C(O)CH3
  746303.1201  0.2919 -5.2925 3 1020.7552984  595161404613823 0    603922 0      C-13-H3C(O)CH3
  746328.3028  0.0303 -5.4130 3  466.7425664  595161404412912 1    402813 1      C-13-H3C(O)CH3
  746342.5385  0.0134 -5.8344 3  177.3542424  5951614042619 8 0    251411 0      C-13-H3C(O)CH3
  746352.2432  0.0051 -4.1502 3  237.0907520  595161404321220 0    311121 0      C-13-H3C(O)CH3
  746352.2494  0.0051 -4.1502 3  237.0907520  595161404321320 0    311021 0      C-13-H3C(O)CH3
  746623.8142  0.0164 -3.9918 3  901.5880A48  595161404651551 0    641550 0      C-13-H3C(O)CH3
  746623.8142  0.0164 -3.9677 3  901.5880A48  595161404651451 0    641450 0      C-13-H3C(O)CH3
  746623.8142  0.0164 -5.2196 3  901.5880A48  595161404651451 0    641550 0      C-13-H3C(O)CH3
  746658.9064  0.0230 -5.1824 3  901.5746A48  595161404651551 1    641450 1      C-13-H3C(O)CH3
  746658.9064  0.0230 -3.9941 3  901.5746A48  595161404651451 1    641450 1      C-13-H3C(O)CH3
  746658.9064  0.0230 -5.1824 3  901.5746A48  595161404651451 1    641550 1      C-13-H3C(O)CH3
  746658.9064  0.0230 -3.9941 3  901.5746A48  595161404651551 1    641550 1      C-13-H3C(O)CH3
  746659.2674  0.0228 -3.9680 3  901.5744A48  595161404651451 2    641450 2      C-13-H3C(O)CH3
  746659.2674  0.0228 -3.9680 3  901.5744A48  595161404651551 2    641550 2      C-13-H3C(O)CH3
  746694.3967  0.0226 -4.2694 3  901.5610524  595161404651451 3    641550 3      C-13-H3C(O)CH3
  746694.3967  0.0226 -4.2694 3  901.5610524  595161404651551 3    641450 3      C-13-H3C(O)CH3
  746694.4481  0.0226 -4.8259 3  901.5609524  595161404651551 4    641450 4      C-13-H3C(O)CH3
  746694.4481  0.0226 -4.4084 3  901.5609524  595161404651551 4    641550 4      C-13-H3C(O)CH3
  746694.4481  0.0226 -4.8259 3  901.5609524  595161404651451 4    641550 4      C-13-H3C(O)CH3
  746694.4481  0.0226 -4.4084 3  901.5609524  595161404651451 4    641450 4      C-13-H3C(O)CH3
  746717.7262  0.0480 -5.8179 3  466.7484664  595161404412912 2    402813 2      C-13-H3C(O)CH3
  746757.1054  0.0227 -4.0708 3  694.4771824  595161404512923 0    502822 0      C-13-H3C(O)CH3
  746919.0502  0.0265 -5.2316 3  258.4017252  595161404312210 4    301911 4      C-13-H3C(O)CH3
  746941.9696  0.0192 -4.0710 3  694.4649824  595161404512923 1    502822 1      C-13-H3C(O)CH3
  746993.7642  0.0169 -4.9103 3  258.4220504  595161404312210 1    301911 1      C-13-H3C(O)CH3
  747008.4763  0.0250 -4.0711 3  694.4607824  595161404512923 2    502822 2      C-13-H3C(O)CH3
  747018.6948  0.0236 -5.1842 3  258.4023252  595161404312210 3    301911 3      C-13-H3C(O)CH3
  747192.6271  0.0150 -4.0002 3  774.1000888  595161404552530 0    542629 0      C-13-H3C(O)CH3
  747192.6848  0.0150 -4.0002 3  774.1000888  595161404552630 0    542529 0      C-13-H3C(O)CH3
  747193.6968  0.0204 -4.3724 3  694.4484412  595161404512923 4    502822 4      C-13-H3C(O)CH3
  747198.4214  0.0203 -4.3724 3  694.4483412  595161404512923 3    502822 3      C-13-H3C(O)CH3
  747243.3903  0.0164 -4.0002 3  774.0981888  595161404552530 1    542629 1      C-13-H3C(O)CH3
  747243.4567  0.0164 -4.0002 3  774.0981888  595161404552630 1    542529 1      C-13-H3C(O)CH3
  747249.1673  0.0177 -4.0002 3  774.0978888  595161404552530 2    542629 2      C-13-H3C(O)CH3
  747249.2325  0.0177 -4.0002 3  774.0978888  595161404552630 2    542529 2      C-13-H3C(O)CH3
  747299.9978  0.0195 -4.3013 3  774.0960444  595161404552530 3    542629 3      C-13-H3C(O)CH3
  747300.0728  0.0195 -4.3013 3  774.0960444  595161404552630 3    542529 3      C-13-H3C(O)CH3
  747300.1016  0.0196 -4.3013 3  774.0960444  595161404552530 4    542629 4      C-13-H3C(O)CH3
  747300.1761  0.0196 -4.3013 3  774.0960444  595161404552630 4    542529 4      C-13-H3C(O)CH3
  747307.3287  0.0120 -5.8159 3  951.3031588  59516140473 568 4    72 567 4      C-13-H3C(O)CH3
  747307.3287  0.0120 -4.2377 3  951.3031588  59516140473 568 4    72 667 4      C-13-H3C(O)CH3
  747307.3287  0.0120 -4.2377 3  951.3031588  59516140473 668 4    72 567 4      C-13-H3C(O)CH3
  747307.3287  0.0120 -5.8159 3  951.3031588  59516140473 668 4    72 667 4      C-13-H3C(O)CH3
  747307.3742  0.0120 -4.6072 3  951.3031588  59516140473 668 3    72 667 3      C-13-H3C(O)CH3
  747307.3742  0.0120 -4.4600 3  951.3031588  59516140473 668 3    72 567 3      C-13-H3C(O)CH3
  747307.3742  0.0120 -4.4600 3  951.3031588  59516140473 568 3    72 667 3      C-13-H3C(O)CH3
  747307.3742  0.0120 -4.6072 3  951.3031588  59516140473 568 3    72 567 3      C-13-H3C(O)CH3
  747319.7333  0.0214 -4.1312 3  951.3333B76  59516140473 568 1    72 667 1      C-13-H3C(O)CH3
  747319.7333  0.0214 -4.3486 3  951.3333B76  59516140473 668 1    72 667 1      C-13-H3C(O)CH3
  747319.8608  0.0211 -3.9306 3  951.3331B76 -59516140473 668 2    72 667 2      C-13-H3C(O)CH3
  747319.8608  0.0214 -4.3486 3  951.3333B76 -59516140473 568 1    72 567 1      C-13-H3C(O)CH3
  747319.8608  0.0211 -3.9306 3  951.3331B76 -59516140473 568 2    72 567 2      C-13-H3C(O)CH3
  747319.8608  0.0214 -4.1312 3  951.3333B76 -59516140473 668 1    72 567 1      C-13-H3C(O)CH3
  747319.9667  0.0211 -5.8520 3  951.3331B76  59516140473 668 2    72 567 2      C-13-H3C(O)CH3
  747319.9667  0.0211 -5.8520 3  951.3331B76  59516140473 568 2    72 667 2      C-13-H3C(O)CH3
  747331.4724  0.0122 -3.9746 3  951.3633B76 -59516140473 568 0    72 567 0      C-13-H3C(O)CH3
  747331.4724  0.0122 -4.8965 3  951.3633B76 -59516140473 668 0    72 567 0      C-13-H3C(O)CH3
  747332.3268  0.0122 -4.8965 3  951.3633B76  59516140473 568 0    72 667 0      C-13-H3C(O)CH3
  747332.3268  0.0122 -3.9746 3  951.3633B76  59516140473 668 0    72 667 0      C-13-H3C(O)CH3
  747395.7062  0.0138 -4.0127 3  756.6268872  595161404542628 0    532727 0      C-13-H3C(O)CH3
  747398.4998  0.0138 -4.0127 3  756.6267872  595161404542728 0    532627 0      C-13-H3C(O)CH3
  747405.0369  0.0162 -3.9928 3  790.9010904  595161404562432 0    552531 0      C-13-H3C(O)CH3
  747405.0378  0.0162 -3.9928 3  790.9010904  595161404562532 0    552431 0      C-13-H3C(O)CH3
  747449.3617  0.0152 -4.0128 3  756.6240872  595161404542628 1    532727 1      C-13-H3C(O)CH3
  747452.4269  0.0152 -4.0128 3  756.6239872  595161404542728 1    532627 1      C-13-H3C(O)CH3
  747453.7400  0.0176 -3.9929 3  790.8996904  595161404562432 1    552531 1      C-13-H3C(O)CH3
  747453.7412  0.0176 -3.9929 3  790.8996904  595161404562532 1    552431 1      C-13-H3C(O)CH3
  747457.6681  0.0166 -4.0128 3  756.6234872  595161404542628 2    532727 2      C-13-H3C(O)CH3
  747457.9757  0.0187 -3.9928 3  790.8996904  595161404562432 2    552531 2      C-13-H3C(O)CH3
  747457.9768  0.0187 -3.9928 3  790.8996904  595161404562532 2    552431 2      C-13-H3C(O)CH3
  747460.7284  0.0166 -4.0128 3  756.6233872  595161404542728 2    532627 2      C-13-H3C(O)CH3
  747501.1516  0.0228 -5.5673 3  258.4023252  5951614043122 9 3    301911 3      C-13-H3C(O)CH3
  747506.7420  0.0207 -4.2939 3  790.8982452  595161404562432 3    552531 3      C-13-H3C(O)CH3
  747506.7433  0.0207 -4.2939 3  790.8982452  595161404562532 3    552431 3      C-13-H3C(O)CH3
  747506.8404  0.0207 -4.2939 3  790.8982452  595161404562432 4    552531 4      C-13-H3C(O)CH3
  747506.8417  0.0207 -4.2939 3  790.8982452  595161404562532 4    552431 4      C-13-H3C(O)CH3
  747511.3860  0.0183 -4.3139 3  756.6206436  595161404542628 3    532727 3      C-13-H3C(O)CH3
  747511.5043  0.0184 -4.3139 3  756.6206436  595161404542628 4    532727 4      C-13-H3C(O)CH3
  747514.7444  0.0183 -4.3139 3  756.6205436  595161404542728 3    532627 3      C-13-H3C(O)CH3
  747514.8473  0.0183 -4.3139 3  756.6205436  595161404542728 4    532627 4      C-13-H3C(O)CH3
  747536.0847  0.0270 -5.8787 3  228.9764236  5951614042922 8 4    2819 9 4      C-13-H3C(O)CH3
  747586.7071  0.0152 -5.2078 3  258.4220504  5951614043122 9 1    301911 1      C-13-H3C(O)CH3
  747633.2221  0.0213 -5.4699 3  258.4017252  5951614043122 9 4    301911 4      C-13-H3C(O)CH3
  747708.7276  0.0159 -4.1043 3  912.0478A64  595161404661353 0    651352 0      C-13-H3C(O)CH3
  747708.7276  0.0159 -4.0512 3  912.0478A64  595161404661453 0    651352 0      C-13-H3C(O)CH3
  747708.7276  0.0159 -4.5375 3  912.0478A64  595161404661353 0    651452 0      C-13-H3C(O)CH3
  747708.7276  0.0159 -4.7263 3  912.0478A64  595161404661453 0    651452 0      C-13-H3C(O)CH3
  747739.5966  0.0154 -4.7653 3  258.4121504  595161404312210 2    301911 2      C-13-H3C(O)CH3
  747741.2229  0.0244 -4.0884 3  912.0318A64  595161404661353 1    651352 1      C-13-H3C(O)CH3
  747741.2229  0.0244 -4.5836 3  912.0318A64  595161404661353 1    651452 1      C-13-H3C(O)CH3
  747741.2229  0.0244 -4.0884 3  912.0318A64  595161404661453 1    651452 1      C-13-H3C(O)CH3
  747741.2229  0.0244 -4.5836 3  912.0318A64  595161404661453 1    651352 1      C-13-H3C(O)CH3
  747741.4773  0.0240 -5.2348 3  912.0316A64  595161404661353 2    651452 2      C-13-H3C(O)CH3
  747741.4773  0.0240 -3.9920 3  912.0316A64  595161404661453 2    651452 2      C-13-H3C(O)CH3
  747741.4773  0.0240 -3.9920 3  912.0316A64  595161404661353 2    651352 2      C-13-H3C(O)CH3
  747741.4773  0.0240 -5.2348 3  912.0316A64  595161404661453 2    651352 2      C-13-H3C(O)CH3
  747770.9869  0.0124 -4.7353 3  258.4321504  595161404312210 0    301911 0      C-13-H3C(O)CH3
  747774.0066  0.0221 -5.0231 3  912.0157532  595161404661453 3    651352 3      C-13-H3C(O)CH3
  747774.0066  0.0221 -5.0231 3  912.0157532  595161404661353 3    651452 3      C-13-H3C(O)CH3
  747774.0066  0.0221 -4.3530 3  912.0157532  595161404661453 3    651452 3      C-13-H3C(O)CH3
  747774.0066  0.0221 -4.3530 3  912.0157532  595161404661353 3    651352 3      C-13-H3C(O)CH3
  747774.0500  0.0221 -4.5568 3  912.0156532  595161404661353 4    651452 4      C-13-H3C(O)CH3
  747774.0500  0.0221 -4.5834 3  912.0156532  595161404661353 4    651352 4      C-13-H3C(O)CH3
  747774.0500  0.0221 -4.5568 3  912.0156532  595161404661453 4    651352 4      C-13-H3C(O)CH3
  747774.0500  0.0221 -4.5834 3  912.0156532  595161404661453 4    651452 4      C-13-H3C(O)CH3
  747808.2793  0.2080 -6.1642 3 1405.4540E64  59516140491 488 0    91 289 0      C-13-H3C(O)CH3
  747808.2793  0.2080 -6.1642 3 1405.4540E64  59516140491 388 0    91 389 0      C-13-H3C(O)CH3
  747876.5132  0.0174 -3.9888 3  807.0675920  595161404572334 0    562433 0      C-13-H3C(O)CH3
  747876.5132  0.0174 -3.9888 3  807.0675920  595161404572434 0    562333 0      C-13-H3C(O)CH3
  747923.6479  0.0188 -3.9889 3  807.0664920  595161404572334 1    562433 1      C-13-H3C(O)CH3
  747923.6479  0.0188 -3.9889 3  807.0664920  595161404572434 1    562333 1      C-13-H3C(O)CH3
  747926.8708  0.0197 -3.9889 3  807.0664920  595161404572434 2    562333 2      C-13-H3C(O)CH3
  747926.8708  0.0197 -3.9889 3  807.0664920  595161404572334 2    562433 2      C-13-H3C(O)CH3
  747974.0650  0.0217 -4.2899 3  807.0652460  595161404572334 3    562433 3      C-13-H3C(O)CH3
  747974.0651  0.0217 -4.2899 3  807.0652460  595161404572434 3    562333 3      C-13-H3C(O)CH3
  747974.1592  0.0218 -4.2899 3  807.0652460  595161404572334 4    562433 4      C-13-H3C(O)CH3
  747974.1592  0.0218 -4.2899 3  807.0652460  595161404572434 4    562333 4      C-13-H3C(O)CH3
  747980.7190  0.0144 -5.9070 3  258.4121504  5951614043122 9 2    301911 2      C-13-H3C(O)CH3
  748153.1041  0.0161 -5.4605 3  228.9895472  5951614042922 8 1    2819 9 1      C-13-H3C(O)CH3
  748229.5508  0.0198 -5.8923 3  193.4361212  5951614042623 3 4    2520 5 4      C-13-H3C(O)CH3
  748237.7596  0.0409 -4.2398 3  482.1805340  595161404422815 4    412714 4      C-13-H3C(O)CH3
  748254.7942  0.0213 -5.6394 3  228.9704236  5951614042922 8 3    2819 9 3      C-13-H3C(O)CH3
  748289.6652  0.0128 -4.0342 3  738.4202856  595161404532726 0    522825 0      C-13-H3C(O)CH3
  748345.7190  0.0141 -4.0344 3  738.4159856  595161404532726 1    522825 1      C-13-H3C(O)CH3
  748358.3399  0.0159 -4.0344 3  738.4148856  595161404532726 2    522825 2      C-13-H3C(O)CH3
  748368.7682  0.0101 -5.8024 3  187.1219220  595161404271810 4    261313 4      C-13-H3C(O)CH3
  748369.6366  0.0163 -5.8882 3  193.3956212  5951614042623 4 3    2520 5 3      C-13-H3C(O)CH3
  748384.5754  0.3173 -6.0377 3 1337.5612B12  595161404694722 2    684820 2      C-13-H3C(O)CH3
  748389.2068  0.0125 -4.0341 3  738.4176856  595161404532826 0    522725 0      C-13-H3C(O)CH3
  748414.2677  0.0174 -4.3356 3  738.4105428  595161404532726 3    522825 3      C-13-H3C(O)CH3
  748414.5412  0.0174 -4.3356 3  738.4104428  595161404532726 4    522825 4      C-13-H3C(O)CH3
  748451.4035  0.0138 -4.0343 3  738.4131856  595161404532826 1    522725 1      C-13-H3C(O)CH3
  748464.6863  0.0149 -4.0342 3  738.4120856  595161404532826 2    522725 2      C-13-H3C(O)CH3
  748485.2341  0.0096 -4.2227 3  956.8858596  59516140474 470 4    73 469 4      C-13-H3C(O)CH3
  748485.2341  0.0096 -4.2227 3  956.8858596  59516140474 570 4    73 569 4      C-13-H3C(O)CH3
  748485.2763  0.0096 -4.3854 3  956.8857596  59516140474 470 3    73 469 3      C-13-H3C(O)CH3
  748485.2763  0.0096 -4.7270 3  956.8857596  59516140474 470 3    73 569 3      C-13-H3C(O)CH3
  748485.2763  0.0096 -4.7270 3  956.8857596  59516140474 570 3    73 469 3      C-13-H3C(O)CH3
  748485.2763  0.0096 -4.3854 3  956.8857596  59516140474 570 3    73 569 3      C-13-H3C(O)CH3
  748500.3905  0.0174 -5.4824 3  228.9704236  5951614042922 7 3    2819 9 3      C-13-H3C(O)CH3
  748503.5341  0.0085 -5.7930 3  187.1218220  595161404271810 3    261313 3      C-13-H3C(O)CH3
  748504.1636  0.0151 -4.0963 3  956.9112B92  59516140474 570 1    73 569 1      C-13-H3C(O)CH3
  748504.1636  0.0151 -4.4009 3  956.9112B92  59516140474 470 1    73 569 1      C-13-H3C(O)CH3
  748504.3284  0.0151 -4.1477 3  956.9109B92  59516140474 470 2    73 569 2      C-13-H3C(O)CH3
  748504.3284  0.0151 -4.3128 3  956.9109B92  59516140474 570 2    73 569 2      C-13-H3C(O)CH3
  748504.4477  0.0151 -4.0963 3  956.9112B92 -59516140474 470 1    73 469 1      C-13-H3C(O)CH3
  748504.4477  0.0151 -4.3128 3  956.9109B92 -59516140474 470 2    73 469 2      C-13-H3C(O)CH3
  748504.4477  0.0151 -4.1477 3  956.9109B92 -59516140474 570 2    73 469 2      C-13-H3C(O)CH3
  748504.4477  0.0151 -4.4009 3  956.9112B92 -59516140474 570 1    73 469 1      C-13-H3C(O)CH3
  748505.0067  0.3771 -6.0376 3 1337.5130B12  595161404694723 0    684820 0      C-13-H3C(O)CH3
  748515.3713  0.3772 -6.0376 3 1337.5130B12  595161404694722 0    684821 0      C-13-H3C(O)CH3
  748519.3774  0.0184 -3.9871 3  822.6243936  595161404582336 0    572235 0      C-13-H3C(O)CH3
  748519.3774  0.0184 -3.9885 3  822.6243936  595161404582236 0    572335 0      C-13-H3C(O)CH3
  748521.5910  0.0054 -3.1812 3  453.7949616 -5951614043836 2 0    3735 2 0      C-13-H3C(O)CH3
  748521.5910  0.0054 -3.1812 3  453.7949616 -5951614043836 3 0    3735 3 0      C-13-H3C(O)CH3
  748522.9187  0.0095 -3.9639 3  956.9363B92 -59516140474 470 0    73 569 0      C-13-H3C(O)CH3
  748522.9187  0.0095 -4.9521 3  956.9363B92 -59516140474 570 0    73 569 0      C-13-H3C(O)CH3
  748523.2080  0.0095 -3.9639 3  956.9363B92  59516140474 570 0    73 469 0      C-13-H3C(O)CH3
  748523.2080  0.0095 -4.9521 3  956.9363B92  59516140474 470 0    73 469 0      C-13-H3C(O)CH3
  748527.1742  0.0165 -4.3354 3  738.4075428  595161404532826 4    522725 4      C-13-H3C(O)CH3
  748527.2016  0.0165 -4.3354 3  738.4075428  595161404532826 3    522725 3      C-13-H3C(O)CH3
  748530.2998  0.3614 -6.0374 3 1337.5643B12  595161404694722 1    684820 1      C-13-H3C(O)CH3
  748564.7204  0.2717 -6.1234 3 1208.5297532  595161404664324 4    654421 4      C-13-H3C(O)CH3
  748565.2326  0.0198 -3.9877 3  822.6230936  595161404582236 1    572335 1      C-13-H3C(O)CH3
  748565.2326  0.0198 -3.9872 3  822.6230936  595161404582336 1    572235 1      C-13-H3C(O)CH3
  748567.7495  0.0206 -6.0288 3  822.6231936  595161404582236 2    572235 2      C-13-H3C(O)CH3
  748567.7495  0.0206 -3.9909 3  822.6231936  595161404582236 2    572335 2      C-13-H3C(O)CH3
  748567.7495  0.0206 -6.0469 3  822.6231936  595161404582336 2    572335 2      C-13-H3C(O)CH3
  748567.7495  0.0206 -3.9910 3  822.6231936  595161404582336 2    572235 2      C-13-H3C(O)CH3
  748590.0877  0.0054 -3.1811 3  453.7381616 -5951614043836 3 2    3735 3 2      C-13-H3C(O)CH3
  748613.6611  0.0227 -4.2885 3  822.6218468  595161404582236 3    572335 3      C-13-H3C(O)CH3
  748613.6611  0.0227 -4.2885 3  822.6218468  595161404582336 3    572235 3      C-13-H3C(O)CH3
  748613.7514  0.0227 -5.8285 3  822.6218468  595161404582336 4    572235 4      C-13-H3C(O)CH3
  748613.7514  0.0227 -4.3008 3  822.6218468  595161404582236 4    572235 4      C-13-H3C(O)CH3
  748613.7514  0.0227 -5.8279 3  822.6218468  595161404582236 4    572335 4      C-13-H3C(O)CH3
  748613.7514  0.0227 -4.3008 3  822.6218468  595161404582336 4    572335 4      C-13-H3C(O)CH3
  748621.5370  0.0095 -5.4950 3  187.1308440  595161404271810 1    261313 1      C-13-H3C(O)CH3
  748631.3808  0.0273 -3.7790 3  482.1887680  595161404422815 2    412714 2      C-13-H3C(O)CH3
  748664.6111  0.1277 -4.6231 3  729.4231420  595161404523022 3    513121 3      C-13-H3C(O)CH3
  748675.9510  0.0176 -5.3443 3  228.9890472  5951614042922 8 2    2819 9 2      C-13-H3C(O)CH3
  748677.5015  0.0057 -3.1810 3  453.7362616 -5951614043836 3 1    3735 3 1      C-13-H3C(O)CH3
  748700.9073  0.1249 -4.6232 3  729.4221420  595161404523022 4    513121 4      C-13-H3C(O)CH3
  748711.6188  0.0058 -3.1810 3  453.7753616 -5951614043836 2 2    3735 2 2      C-13-H3C(O)CH3
  748711.9644  0.3100 -6.0376 3 1337.5277B12  595161404694723 2    684821 2      C-13-H3C(O)CH3
  748746.0014  0.0083 -3.4818 3  453.6795308  5951614043836 3 4    3735 3 4      C-13-H3C(O)CH3
  748752.1945  0.0169 -5.8901 3  193.3906212  5951614042623 3 3    2520 6 3      C-13-H3C(O)CH3
  748767.7890  0.0057 -3.1809 3  453.7962616 -5951614043836 2 1    3735 2 1      C-13-H3C(O)CH3
  748797.1217  0.0132 -3.6745 3  482.1814680  595161404422815 1    412714 1      C-13-H3C(O)CH3
  748809.8663  0.0157 -3.9894 3  921.9645A80  595161404671255 0    661254 0      C-13-H3C(O)CH3
  748809.8663  0.0157 -3.9894 3  921.9645A80  595161404671355 0    661354 0      C-13-H3C(O)CH3
  748809.8663  0.0157 -5.3004 3  921.9645A80  595161404671255 0    661354 0      C-13-H3C(O)CH3
  748809.8663  0.0157 -5.3004 3  921.9645A80  595161404671355 0    661254 0      C-13-H3C(O)CH3
  748821.1057  0.0158 -5.5913 3  193.4409424  5951614042623 3 1    2520 5 1      C-13-H3C(O)CH3
  748822.5424  0.3665 -6.1144 3 1208.5229532  595161404664324 3    654421 3      C-13-H3C(O)CH3
  748831.8717  0.2717 -5.8785 3 1208.4808A64  595161404664324 2    654421 2      C-13-H3C(O)CH3
  748832.3604  0.1239 -5.6369 3 1113.3873A32  595161404643827 0    633924 0      C-13-H3C(O)CH3
  748835.7853  0.0077 -3.4818 3  453.7394308  5951614043836 2 3    3735 2 3      C-13-H3C(O)CH3
  748839.2097  0.0262 -6.0102 3  921.9458A80  595161404671255 1    661354 1      C-13-H3C(O)CH3
  748839.2097  0.0262 -3.9726 3  921.9458A80  595161404671255 1    661254 1      C-13-H3C(O)CH3
  748839.2097  0.0262 -6.0102 3  921.9458A80  595161404671355 1    661254 1      C-13-H3C(O)CH3
  748839.2097  0.0262 -3.9726 3  921.9458A80  595161404671355 1    661354 1      C-13-H3C(O)CH3
  748839.3896  0.0256 -3.9689 3  921.9456A80  595161404671355 2    661354 2      C-13-H3C(O)CH3
  748839.3896  0.0256 -3.9689 3  921.9456A80  595161404671255 2    661254 2      C-13-H3C(O)CH3
  748849.7942  0.0090 -5.4936 3  187.1258440  595161404271810 2    261313 2      C-13-H3C(O)CH3
  748855.0793  0.0059 -3.6048 3  482.1939680  595161404422815 0    412714 0      C-13-H3C(O)CH3
  748862.5967  0.0171 -5.3719 3  228.9764236  5951614042922 7 4    2819 9 4      C-13-H3C(O)CH3
  748866.9147  0.0081 -3.4817 3  453.7167308  5951614043836 3 3    3735 3 3      C-13-H3C(O)CH3
  748868.7636  0.0215 -4.3627 3  921.9269540  595161404671355 3    661354 3      C-13-H3C(O)CH3
  748868.7636  0.0215 -4.9842 3  921.9269540  595161404671355 3    661254 3      C-13-H3C(O)CH3
  748868.7636  0.0215 -4.9842 3  921.9269540  595161404671255 3    661354 3      C-13-H3C(O)CH3
  748868.7636  0.0215 -4.3627 3  921.9269540  595161404671255 3    661254 3      C-13-H3C(O)CH3
  748868.7978  0.0215 -4.2849 3  921.9268540  595161404671355 4    661254 4      C-13-H3C(O)CH3
  748868.7978  0.0215 -4.2849 3  921.9268540  595161404671255 4    661354 4      C-13-H3C(O)CH3
  748868.7978  0.0215 -5.7303 3  921.9268540  595161404671355 4    661354 4      C-13-H3C(O)CH3
  748868.7978  0.0215 -5.7303 3  921.9268540  595161404671255 4    661254 4      C-13-H3C(O)CH3
  748888.2674  0.3105 -5.8555 3 1208.4842A64  595161404664324 1    654421 1      C-13-H3C(O)CH3
  748891.3257  0.0172 -5.8860 3  193.3501212  5951614042623 4 4    2520 6 4      C-13-H3C(O)CH3
  748898.3834  0.3507 -6.0373 3 1337.5261B12  595161404694723 1    684821 1      C-13-H3C(O)CH3
  748938.0015  0.0120 -5.1148 3  228.9895472  5951614042922 7 1    2819 9 1      C-13-H3C(O)CH3
  748950.6541  0.0078 -4.6332 3  206.0904252  59516140431 922 4    30 823 4      C-13-H3C(O)CH3
  748950.6541  0.0078 -4.6320 3  206.0904252  595161404311022 4    30 723 4      C-13-H3C(O)CH3
  748951.0536  0.0065 -4.6320 3  206.0904252  59516140431 922 3    30 823 3      C-13-H3C(O)CH3
  748951.0536  0.0065 -4.6322 3  206.0904252  595161404311022 3    30 723 3      C-13-H3C(O)CH3
  748957.2559  0.0081 -3.4817 3  453.7765308  5951614043836 2 4    3735 2 4      C-13-H3C(O)CH3
  748969.9038  0.1196 -5.6319 3 1113.3937A32  595161404643827 1    633924 1      C-13-H3C(O)CH3
  748977.2726  0.1225 -5.6327 3 1113.3952A32  595161404643827 2    633924 2      C-13-H3C(O)CH3
  749030.8110  0.0096 -5.4914 3  187.1348440  595161404271810 0    261313 0      C-13-H3C(O)CH3
  749041.9605  0.4676 -6.2043 3 1208.4738A64  595161404664324 2    654422 2      C-13-H3C(O)CH3
  749045.5819  0.0150 -5.5940 3  193.4513424  5951614042623 3 2    2520 5 2      C-13-H3C(O)CH3
  749061.6429  0.0180 -3.9427 3  482.1709340  595161404422815 3    412714 3      C-13-H3C(O)CH3
  749083.5994  0.1149 -5.9292 3 1113.4027516  595161404643827 4    633924 4      C-13-H3C(O)CH3
  749115.5987  0.3156 -5.7105 3 1208.4359A64  595161404664324 0    654421 0      C-13-H3C(O)CH3
  749128.7454  0.1277 -5.9283 3 1113.4013516  595161404643827 3    633924 3      C-13-H3C(O)CH3
  749132.7069  0.1389 -4.3195 3  729.4241840  595161404523022 2    513121 2      C-13-H3C(O)CH3
  749181.5863  0.0156 -5.5899 3  193.4109424  5951614042623 4 2    2520 6 2      C-13-H3C(O)CH3
  749200.0886  0.0109 -4.9554 3  229.0049472  5951614042922 8 0    2819 9 0      C-13-H3C(O)CH3
  749215.6058  0.0143 -5.1826 3  228.9890472  5951614042922 7 2    2819 9 2      C-13-H3C(O)CH3
  749247.7309  0.2570 -4.9227 3  791.0273436  595161404543222 3    533321 3      C-13-H3C(O)CH3
  749249.6693  0.0848 -4.3188 3  729.4255840  595161404523022 1    513121 1      C-13-H3C(O)CH3
  749252.8128  0.0082 -4.6851 3  254.6874504  595161404312110 1    301813 1      C-13-H3C(O)CH3
  749255.5100  0.0056 -4.3326 3  206.0893504  59516140431 922 2    30 823 2      C-13-H3C(O)CH3
  749255.5100  0.0056 -4.3308 3  206.0893504  595161404311022 2    30 723 2      C-13-H3C(O)CH3
  749257.3817  0.0097 -4.9849 3  254.6671252  595161404312110 3    301813 3      C-13-H3C(O)CH3
  749266.0996  0.0059 -4.3304 3  206.0903504  595161404311022 1    30 723 1      C-13-H3C(O)CH3
  749266.0996  0.0059 -4.3320 3  206.0903504  59516140431 922 1    30 823 1      C-13-H3C(O)CH3
  749267.0919  0.0088 -4.9878 3  254.6670252  595161404312110 4    301813 4      C-13-H3C(O)CH3
  749280.8958  0.0192 -3.9876 3  837.5886952  595161404592238 0    582137 0      C-13-H3C(O)CH3
  749280.8958  0.0192 -3.9876 3  837.5886952  595161404592138 0    582237 0      C-13-H3C(O)CH3
  749325.6443  0.0207 -4.0456 3  837.5869952  595161404592138 1    582137 1      C-13-H3C(O)CH3
  749325.6443  0.0207 -4.8848 3  837.5869952  595161404592138 1    582237 1      C-13-H3C(O)CH3
  749325.6443  0.0207 -4.8848 3  837.5869952  595161404592238 1    582137 1      C-13-H3C(O)CH3
  749325.6443  0.0207 -4.0456 3  837.5869952  595161404592238 1    582237 1      C-13-H3C(O)CH3
  749327.6435  0.0213 -3.9872 3  837.5869952  595161404592138 2    582137 2      C-13-H3C(O)CH3
  749327.6435  0.0213 -3.9872 3  837.5869952  595161404592238 2    582237 2      C-13-H3C(O)CH3
  749339.7224  0.0155 -5.5891 3  193.3955424  5951614042623 4 1    2520 6 1      C-13-H3C(O)CH3
  749348.8409  0.2422 -4.9245 3  791.0244436  595161404543222 4    533321 4      C-13-H3C(O)CH3
  749372.4459  0.0235 -5.4877 3  837.5852476  595161404592138 3    582137 3      C-13-H3C(O)CH3
  749372.4459  0.0235 -4.3162 3  837.5852476  595161404592138 3    582237 3      C-13-H3C(O)CH3
  749372.4459  0.0235 -5.4877 3  837.5852476  595161404592238 3    582237 3      C-13-H3C(O)CH3
  749372.4459  0.0235 -4.3162 3  837.5852476  595161404592238 3    582137 3      C-13-H3C(O)CH3
  749372.5324  0.0235 -5.3043 3  837.5852476  595161404592238 4    582237 4      C-13-H3C(O)CH3
  749372.5324  0.0235 -4.3318 3  837.5852476  595161404592138 4    582237 4      C-13-H3C(O)CH3
  749372.5324  0.0235 -4.3318 3  837.5852476  595161404592238 4    582137 4      C-13-H3C(O)CH3
  749372.5324  0.0235 -5.3043 3  837.5852476  595161404592138 4    582137 4      C-13-H3C(O)CH3
  749458.4655  0.0085 -4.6754 3  254.7024504  595161404312110 0    301813 0      C-13-H3C(O)CH3
  749471.4214  0.0082 -4.6754 3  254.6821504  595161404312110 2    301813 2      C-13-H3C(O)CH3
  749569.9683  0.0057 -4.3345 3  206.0893504  595161404311022 0    30 723 0      C-13-H3C(O)CH3
  749569.9683  0.0057 -4.3345 3  206.0893504  59516140431 922 0    30 823 0      C-13-H3C(O)CH3
  749631.0362  0.0166 -4.0754 3  719.3863840  595161404522824 0    512923 0      C-13-H3C(O)CH3
  749635.8968  0.0163 -5.5939 3  193.4561424  5951614042623 4 0    2520 5 0      C-13-H3C(O)CH3
  749637.5646  0.0163 -5.5939 3  193.4560424  5951614042623 3 0    2520 6 0      C-13-H3C(O)CH3
  749653.5159  0.3143 -6.2030 3 1208.4808A64  595161404664323 2    654421 2      C-13-H3C(O)CH3
  749657.2835  0.0169 -4.0758 3  719.3802840  595161404522824 1    512923 1      C-13-H3C(O)CH3
  749670.0394  0.0223 -4.0759 3  719.3782840  595161404522824 2    512923 2      C-13-H3C(O)CH3
  749674.1642  0.0073 -6.0049 3  961.9390604  59516140475 472 4    74 371 4      C-13-H3C(O)CH3
  749674.1642  0.0073 -4.2249 3  961.9390604  59516140475 372 4    74 371 4      C-13-H3C(O)CH3
  749674.1915  0.0073 -4.2965 3  961.9390604  59516140475 372 3    74 471 3      C-13-H3C(O)CH3
  749674.1915  0.0073 -4.9981 3  961.9390604  59516140475 472 3    74 471 3      C-13-H3C(O)CH3
  749674.3132  0.0073 -4.2965 3  961.9390604 -59516140475 472 3    74 371 3      C-13-H3C(O)CH3
  749674.3132  0.0073 -4.9981 3  961.9390604 -59516140475 372 3    74 371 3      C-13-H3C(O)CH3
  749674.3132  0.0073 -4.2249 3  961.9390604 -59516140475 472 4    74 471 4      C-13-H3C(O)CH3
  749674.3132  0.0073 -6.0049 3  961.9390604 -59516140475 372 4    74 471 4      C-13-H3C(O)CH3
  749685.2062  0.3163 -6.1132 3 1208.5206532  595161404664323 3    654422 3      C-13-H3C(O)CH3
  749694.0016  0.0223 -4.3773 3  719.3721420  595161404522824 3    512923 3      C-13-H3C(O)CH3
  749694.0169  0.0972 -4.3163 3  729.4270840  595161404523022 0    513121 0      C-13-H3C(O)CH3
  749696.2889  0.0222 -4.3773 3  719.3721420  595161404522824 4    512923 4      C-13-H3C(O)CH3
  749697.7597  0.0098 -5.6977 3  961.9551C08  59516140475 472 1    74 371 1      C-13-H3C(O)CH3
  749697.7597  0.0098 -3.9276 3  961.9551C08  59516140475 372 1    74 371 1      C-13-H3C(O)CH3
  749697.8055  0.0104 -3.9820 3  961.9548C08  59516140475 472 2    74 371 2      C-13-H3C(O)CH3
  749697.8055  0.0104 -4.7722 3  961.9548C08  59516140475 372 2    74 371 2      C-13-H3C(O)CH3
  749697.8913  0.0098 -3.9240 3  961.9551C08 -59516140475 472 1    74 471 1      C-13-H3C(O)CH3
  749697.8913  0.0104 -4.7722 3  961.9548C08 -59516140475 472 2    74 471 2      C-13-H3C(O)CH3
  749697.8913  0.0104 -3.9820 3  961.9548C08 -59516140475 372 2    74 471 2      C-13-H3C(O)CH3
  749697.8913  0.0098 -5.5219 3  961.9551C08 -59516140475 372 1    74 471 1      C-13-H3C(O)CH3
  749721.3524  0.0073 -4.5591 3  961.9709C08  59516140475 372 0    74 371 0      C-13-H3C(O)CH3
  749721.3524  0.0073 -4.0290 3  961.9709C08  59516140475 372 0    74 471 0      C-13-H3C(O)CH3
  749721.3524  0.0073 -4.0477 3  961.9709C08  59516140475 472 0    74 371 0      C-13-H3C(O)CH3
  749721.3524  0.0073 -4.5011 3  961.9709C08  59516140475 472 0    74 471 0      C-13-H3C(O)CH3
  749863.6046  0.3770 -5.8774 3 1208.4738A64  595161404664323 2    654422 2      C-13-H3C(O)CH3
  749925.6000  0.0158 -4.6844 3  931.3400A96  595161404681157 0    671256 0      C-13-H3C(O)CH3
  749925.6000  0.0158 -4.0620 3  931.3400A96  595161404681257 0    671256 0      C-13-H3C(O)CH3
  749925.6000  0.0158 -4.0620 3  931.3400A96  595161404681157 0    671156 0      C-13-H3C(O)CH3
  749925.6000  0.0158 -4.6844 3  931.3400A96  595161404681257 0    671156 0      C-13-H3C(O)CH3
  749943.6725  0.3514 -6.1222 3 1208.5139532  595161404664323 4    654422 4      C-13-H3C(O)CH3
  749951.1432  0.0282 -5.9111 3  931.3184A96  595161404681257 1    671156 1      C-13-H3C(O)CH3
  749951.1432  0.0282 -5.9111 3  931.3184A96  595161404681157 1    671256 1      C-13-H3C(O)CH3
  749951.1432  0.0282 -3.9740 3  931.3184A96  595161404681157 1    671156 1      C-13-H3C(O)CH3
  749951.1432  0.0282 -3.9740 3  931.3184A96  595161404681257 1    671256 1      C-13-H3C(O)CH3
  749951.2812  0.0276 -3.9824 3  931.3182A96  595161404681157 2    671156 2      C-13-H3C(O)CH3
  749951.2812  0.0276 -5.4866 3  931.3182A96  595161404681157 2    671256 2      C-13-H3C(O)CH3
  749951.2812  0.0276 -5.4866 3  931.3182A96  595161404681257 2    671156 2      C-13-H3C(O)CH3
  749951.2812  0.0276 -3.9824 3  931.3182A96  595161404681257 2    671256 2      C-13-H3C(O)CH3
  749961.4732  0.3229 -5.7094 3 1208.4348A64  595161404664323 0    654422 0      C-13-H3C(O)CH3
  749976.8513  0.0209 -4.5664 3  931.2966548  595161404681157 3    671156 3      C-13-H3C(O)CH3
  749976.8513  0.0209 -4.5757 3  931.2966548  595161404681157 3    671256 3      C-13-H3C(O)CH3
  749976.8513  0.0209 -4.5664 3  931.2966548  595161404681257 3    671256 3      C-13-H3C(O)CH3
  749976.8513  0.0209 -4.5757 3  931.2966548  595161404681257 3    671156 3      C-13-H3C(O)CH3
  749976.8751  0.0209 -4.7088 3  931.2965548  595161404681157 4    671156 4      C-13-H3C(O)CH3
  749976.8751  0.0209 -4.7088 3  931.2965548  595161404681257 4    671256 4      C-13-H3C(O)CH3
  749976.8751  0.0209 -4.4666 3  931.2965548  595161404681257 4    671156 4      C-13-H3C(O)CH3
  749976.8751  0.0209 -4.4666 3  931.2965548  595161404681157 4    671256 4      C-13-H3C(O)CH3
  749999.7949  0.3693 -5.8544 3 1208.4753A64  595161404664323 1    654422 1      C-13-H3C(O)CH3
  750054.5436  0.0245 -5.4872 3  243.3163244  5951614043022 9 4    291910 4      C-13-H3C(O)CH3
  750127.5878  0.0197 -3.9974 3  851.9726968  595161404602040 0    592139 0      C-13-H3C(O)CH3
  750127.5878  0.0197 -5.6387 3  851.9726968  595161404602140 0    592139 0      C-13-H3C(O)CH3
  750127.5878  0.0197 -5.6387 3  851.9726968  595161404602040 0    592039 0      C-13-H3C(O)CH3
  750127.5878  0.0197 -3.9974 3  851.9726968  595161404602140 0    592039 0      C-13-H3C(O)CH3
  750157.0531  0.2706 -4.6189 3  791.0184872  595161404543222 2    533321 2      C-13-H3C(O)CH3
  750171.3213  0.0214 -5.4149 3  851.9703968  595161404602040 1    592139 1      C-13-H3C(O)CH3
  750171.3213  0.0214 -4.0042 3  851.9703968  595161404602040 1    592039 1      C-13-H3C(O)CH3
  750171.3213  0.0214 -5.4149 3  851.9703968  595161404602140 1    592039 1      C-13-H3C(O)CH3
  750171.3213  0.0214 -4.0042 3  851.9703968  595161404602140 1    592139 1      C-13-H3C(O)CH3
  750172.9230  0.0219 -4.0267 3  851.9703968  595161404602140 2    592139 2      C-13-H3C(O)CH3
  750172.9230  0.0219 -5.0526 3  851.9703968  595161404602040 2    592139 2      C-13-H3C(O)CH3
  750172.9230  0.0219 -4.0267 3  851.9703968  595161404602040 2    592039 2      C-13-H3C(O)CH3
  750172.9230  0.0219 -5.0526 3  851.9703968  595161404602140 2    592039 2      C-13-H3C(O)CH3
  750216.7079  0.0242 -5.5584 3  851.9679484  595161404602140 3    592139 3      C-13-H3C(O)CH3
  750216.7079  0.0242 -5.5584 3  851.9679484  595161404602040 3    592039 3      C-13-H3C(O)CH3
  750216.7079  0.0242 -4.3126 3  851.9679484  595161404602040 3    592139 3      C-13-H3C(O)CH3
  750216.7079  0.0242 -4.3126 3  851.9679484  595161404602140 3    592039 3      C-13-H3C(O)CH3
  750216.7908  0.0242 -4.3369 3  851.9679484  595161404602040 4    592139 4      C-13-H3C(O)CH3
  750216.7908  0.0242 -5.2665 3  851.9679484  595161404602140 4    592139 4      C-13-H3C(O)CH3
  750216.7908  0.0242 -5.2665 3  851.9679484  595161404602040 4    592039 4      C-13-H3C(O)CH3
  750216.7908  0.0242 -4.3369 3  851.9679484  595161404602140 4    592039 4      C-13-H3C(O)CH3
  750267.4829  0.0160 -5.3660 3  228.8853236  5951614042922 8 4    281910 4      C-13-H3C(O)CH3
  750295.8460  0.0045 -3.2456 3  458.0172632 -5951614043934 5 0    3833 6 0      C-13-H3C(O)CH3
  750295.8460  0.0045 -3.2456 3  458.0172632 -5951614043934 6 0    3833 5 0      C-13-H3C(O)CH3
  750315.8770  0.1687 -4.6181 3  791.0181872  595161404543222 1    533321 1      C-13-H3C(O)CH3
  750341.1791  0.0080 -4.4325 3  482.1814680  595161404422814 1    412714 1      C-13-H3C(O)CH3
  750349.9425  0.0049 -3.2456 3  457.9831632 -5951614043934 6 2    3833 6 2      C-13-H3C(O)CH3
  750352.3348  0.4316 -5.7760 3 1087.4781508  595161404633925 4    624022 4      C-13-H3C(O)CH3
  750373.6973  0.0152 -5.1604 3  243.3336488  5951614043022 9 1    291910 1      C-13-H3C(O)CH3
  750394.5027  0.0049 -3.2455 3  457.9676632 -5951614043934 6 1    3833 6 1      C-13-H3C(O)CH3
  750405.2332  0.0215 -5.4182 3  243.3157244  5951614043022 9 3    291910 3      C-13-H3C(O)CH3
  750426.3302  0.0050 -3.2455 3  458.0034632 -5951614043934 5 2    3833 5 2      C-13-H3C(O)CH3
  750449.2195  0.0069 -3.5465 3  457.9335316  5951614043934 6 4    3833 6 4      C-13-H3C(O)CH3
  750467.6932  0.0089 -4.9833 3  482.1709340  595161404422814 3    412714 3      C-13-H3C(O)CH3
  750486.5989  0.0113 -4.0830 3  482.1887680  595161404422814 2    412714 2      C-13-H3C(O)CH3
  750496.2748  0.0050 -3.2454 3  458.0071632 -5951614043934 5 1    3833 5 1      C-13-H3C(O)CH3
  750525.0909  0.0071 -3.5464 3  457.9539316  5951614043934 6 3    3833 6 3      C-13-H3C(O)CH3
  750532.5238  0.0115 -4.9434 3  174.4372244  59516140430 724 4    29 425 4      C-13-H3C(O)CH3
  750532.5238  0.0115 -6.0165 3  174.4372244  59516140430 624 4    29 425 4      C-13-H3C(O)CH3
  750532.5238  0.0115 -4.9673 3  174.4372244  59516140430 624 4    29 525 4      C-13-H3C(O)CH3
  750532.6951  0.0098 -4.9360 3  174.4372244  59516140430 724 3    29 525 3      C-13-H3C(O)CH3
  750532.6951  0.0098 -4.9360 3  174.4372244  59516140430 624 3    29 425 3      C-13-H3C(O)CH3
  750550.3656  0.0069 -3.5464 3  457.9731316  5951614043934 5 3    3833 5 3      C-13-H3C(O)CH3
  750619.7720  0.0170 -5.4824 3  228.8915236  5951614042922 8 3    281910 3      C-13-H3C(O)CH3
  750623.2518  0.2450 -5.7250 3 1087.4702508  595161404633925 3    624022 3      C-13-H3C(O)CH3
  750626.1490  0.0072 -3.5463 3  457.9933316  5951614043934 5 4    3833 5 4      C-13-H3C(O)CH3
  750652.4541  0.0118 -5.1119 3  228.9062472  5951614042922 8 1    281910 1      C-13-H3C(O)CH3
  750713.0094  0.0131 -4.1740 3  482.1805340  595161404422814 4    412714 4      C-13-H3C(O)CH3
  750733.8872  0.0460 -4.0783 3  645.1737792  595161404492921 0    482820 0      C-13-H3C(O)CH3
  750751.7284  0.0199 -5.4714 3  243.3157244  5951614043022 8 3    291910 3      C-13-H3C(O)CH3
  750752.6816  0.0093 -4.0019 3  341.5648584  595161404362215 0    351916 0      C-13-H3C(O)CH3
  750763.8007  0.0089 -4.0014 3  341.5436584  595161404362215 1    351916 1      C-13-H3C(O)CH3
  750865.3684  0.0204 -5.6371 3  228.8915236  5951614042922 7 3    281910 3      C-13-H3C(O)CH3
  750867.1636  0.0097 -6.0437 3  168.1059212  595161404261611 4    251114 4      C-13-H3C(O)CH3
  750875.4315  0.0062 -4.2744 3  966.4650612  59516140476 274 4    75 373 4      C-13-H3C(O)CH3
  750875.4315  0.0062 -5.0881 3  966.4650612  59516140476 274 4    75 273 4      C-13-H3C(O)CH3
  750875.4315  0.0062 -4.2744 3  966.4650612  59516140476 374 4    75 273 4      C-13-H3C(O)CH3
  750875.4315  0.0062 -5.0881 3  966.4650612  59516140476 374 4    75 373 4      C-13-H3C(O)CH3
  750875.4335  0.0062 -4.2202 3  966.4650612  59516140476 374 3    75 273 3      C-13-H3C(O)CH3
  750875.4335  0.0062 -4.2129 3  966.4650612  59516140476 274 3    75 373 3      C-13-H3C(O)CH3
  750875.4335  0.0062 -5.9608 3  966.4650612  59516140476 374 3    75 373 3      C-13-H3C(O)CH3
  750877.2121  0.0086 -4.0024 3  341.5353584  595161404362215 2    351916 2      C-13-H3C(O)CH3
  750881.4409  0.0074 -4.3028 3  341.5142292  595161404362215 4    351916 4      C-13-H3C(O)CH3
  750883.0755  0.0080 -6.0437 3  168.1058212  595161404261611 3    251114 3      C-13-H3C(O)CH3
  750888.9779  0.0086 -4.3029 3  341.5141292  595161404362215 3    351916 3      C-13-H3C(O)CH3
  750899.9038  0.0105 -4.4632 3  966.4649C24  59516140476 374 2    75 373 2      C-13-H3C(O)CH3
  750899.9038  0.0105 -4.4632 3  966.4649C24  59516140476 274 2    75 273 2      C-13-H3C(O)CH3
  750899.9038  0.0105 -4.0544 3  966.4649C24  59516140476 374 2    75 273 2      C-13-H3C(O)CH3
  750899.9038  0.0105 -4.0544 3  966.4649C24  59516140476 274 2    75 373 2      C-13-H3C(O)CH3
  750899.9897  0.0096 -3.9126 3  966.4653C24  59516140476 374 1    75 273 1      C-13-H3C(O)CH3
  750899.9897  0.0096 -3.9126 3  966.4653C24  59516140476 274 1    75 373 1      C-13-H3C(O)CH3
  750924.4211  0.0070 -4.0265 3  966.4653C24  59516140476 374 0    75 373 0      C-13-H3C(O)CH3
  750924.4211  0.0070 -4.5518 3  966.4653C24  59516140476 374 0    75 273 0      C-13-H3C(O)CH3
  750924.4211  0.0070 -4.3237 3  966.4653C24  59516140476 274 0    75 373 0      C-13-H3C(O)CH3
  750924.4211  0.0070 -4.1203 3  966.4653C24  59516140476 274 0    75 273 0      C-13-H3C(O)CH3
  750929.7237  0.2188 -5.4395 3 1087.4384A16  595161404633925 1    624022 1      C-13-H3C(O)CH3
  750946.7442  0.3150 -5.4384 3 1087.4370A16  595161404633925 2    624022 2      C-13-H3C(O)CH3
  750988.8221  0.0145 -5.1787 3  228.9119472  5951614042922 8 2    281910 2      C-13-H3C(O)CH3
  750999.4021  0.0171 -5.1020 3  243.3297488  5951614043022 9 2    291910 2      C-13-H3C(O)CH3
  751013.9812  0.0093 -5.5120 3  174.4146488  59516140430 724 2    29 425 2      C-13-H3C(O)CH3
  751013.9812  0.0093 -4.6890 3  174.4146488  59516140430 624 2    29 425 2      C-13-H3C(O)CH3
  751013.9812  0.0093 -4.6890 3  174.4146488  59516140430 724 2    29 525 2      C-13-H3C(O)CH3
  751013.9812  0.0093 -5.5120 3  174.4146488  59516140430 624 2    29 525 2      C-13-H3C(O)CH3
  751020.2953  0.0099 -5.7642 3  174.4152488  59516140430 624 1    29 525 1      C-13-H3C(O)CH3
  751020.2953  0.0099 -4.6613 3  174.4152488  59516140430 624 1    29 425 1      C-13-H3C(O)CH3
  751020.2953  0.0099 -5.7642 3  174.4152488  59516140430 724 1    29 425 1      C-13-H3C(O)CH3
  751020.2953  0.0099 -4.6613 3  174.4152488  59516140430 724 1    29 525 1      C-13-H3C(O)CH3
  751037.3291  0.0200 -4.1811 3  865.7859984  595161404612042 0    601941 0      C-13-H3C(O)CH3
  751037.3291  0.0200 -4.1811 3  865.7859984  595161404611942 0    602041 0      C-13-H3C(O)CH3
  751037.3291  0.0200 -4.4359 3  865.7859984  595161404611942 0    601941 0      C-13-H3C(O)CH3
  751037.3291  0.0200 -4.4359 3  865.7859984  595161404612042 0    602041 0      C-13-H3C(O)CH3
  751050.8613  0.0134 -5.1274 3  243.3336488  5951614043022 8 1    291910 1      C-13-H3C(O)CH3
  751054.7454  0.0162 -5.1030 3  940.1758B12  595161404691159 0    681058 0      C-13-H3C(O)CH3
  751054.7454  0.0162 -4.0021 3  940.1758B12  595161404691059 0    681058 0      C-13-H3C(O)CH3
  751054.7454  0.0162 -5.1030 3  940.1758B12  595161404691059 0    681158 0      C-13-H3C(O)CH3
  751054.7454  0.0162 -4.0021 3  940.1758B12  595161404691159 0    681158 0      C-13-H3C(O)CH3
  751067.2851  0.0081 -5.7423 3  168.1060424  595161404261611 2    251114 2      C-13-H3C(O)CH3
  751068.1909  0.0197 -5.4051 3  243.3163244  5951614043022 8 4    291910 4      C-13-H3C(O)CH3
  751075.7594  0.0302 -4.1818 3  940.1512B12  595161404691159 1    681158 1      C-13-H3C(O)CH3
  751075.7594  0.0302 -4.1818 3  940.1512B12  595161404691059 1    681058 1      C-13-H3C(O)CH3
  751075.7594  0.0302 -4.3807 3  940.1512B12  595161404691059 1    681158 1      C-13-H3C(O)CH3
  751075.7594  0.0302 -4.3807 3  940.1512B12  595161404691159 1    681058 1      C-13-H3C(O)CH3
  751075.8867  0.0295 -4.2852 3  940.1511B12  595161404691059 2    681058 2      C-13-H3C(O)CH3
  751075.8867  0.0295 -4.2553 3  940.1511B12  595161404691059 2    681158 2      C-13-H3C(O)CH3
  751075.8867  0.0295 -4.2852 3  940.1511B12  595161404691159 2    681158 2      C-13-H3C(O)CH3
  751075.8867  0.0295 -4.2553 3  940.1511B12  595161404691159 2    681058 2      C-13-H3C(O)CH3
  751080.0703  0.0220 -4.7926 3  865.7826984  595161404612042 1    602041 1      C-13-H3C(O)CH3
  751080.0703  0.0220 -4.0634 3  865.7826984  595161404612042 1    601941 1      C-13-H3C(O)CH3
  751080.0703  0.0220 -4.0634 3  865.7826984  595161404611942 1    602041 1      C-13-H3C(O)CH3
  751080.0703  0.0220 -4.7926 3  865.7826984  595161404611942 1    601941 1      C-13-H3C(O)CH3
  751081.3538  0.0223 -4.0361 3  865.7826984  595161404611942 2    601941 2      C-13-H3C(O)CH3
  751081.3538  0.0223 -4.0361 3  865.7826984  595161404612042 2    602041 2      C-13-H3C(O)CH3
  751081.3538  0.0223 -4.9781 3  865.7826984  595161404612042 2    601941 2      C-13-H3C(O)CH3
  751081.3538  0.0223 -4.9781 3  865.7826984  595161404611942 2    602041 2      C-13-H3C(O)CH3
  751093.6061  0.0081 -5.7419 3  168.1090424  595161404261611 1    251114 1      C-13-H3C(O)CH3
  751096.9237  0.0201 -4.3824 3  940.1265556  595161404691059 3    681158 3      C-13-H3C(O)CH3
  751096.9237  0.0201 -4.9115 3  940.1265556  595161404691059 3    681058 3      C-13-H3C(O)CH3
  751096.9237  0.0201 -4.9115 3  940.1265556  595161404691159 3    681158 3      C-13-H3C(O)CH3
  751096.9237  0.0201 -4.3824 3  940.1265556  595161404691159 3    681058 3      C-13-H3C(O)CH3
  751096.9358  0.0201 -4.2722 3  940.1264556  595161404691159 4    681158 4      C-13-H3C(O)CH3
  751096.9358  0.0201 -4.2722 3  940.1264556  595161404691059 4    681058 4      C-13-H3C(O)CH3
  751124.1441  0.0247 -4.9052 3  865.7792492  595161404611942 3    601941 3      C-13-H3C(O)CH3
  751124.1441  0.0247 -4.4107 3  865.7792492  595161404611942 3    602041 3      C-13-H3C(O)CH3
  751124.1441  0.0247 -4.9052 3  865.7792492  595161404612042 3    602041 3      C-13-H3C(O)CH3
  751124.1441  0.0247 -4.4107 3  865.7792492  595161404612042 3    601941 3      C-13-H3C(O)CH3
  751124.2231  0.0247 -4.3462 3  865.7792492  595161404611942 4    602041 4      C-13-H3C(O)CH3
  751124.2231  0.0247 -5.2066 3  865.7792492  595161404611942 4    601941 4      C-13-H3C(O)CH3
  751124.2231  0.0247 -5.2066 3  865.7792492  595161404612042 4    602041 4      C-13-H3C(O)CH3
  751124.2231  0.0247 -4.3462 3  865.7792492  595161404612042 4    601941 4      C-13-H3C(O)CH3
  751143.5753  0.0373 -4.0782 3  645.1519792  595161404492921 1    482820 1      C-13-H3C(O)CH3
  751173.2141  0.1879 -4.6144 3  791.0107872  595161404543222 0    533321 0      C-13-H3C(O)CH3
  751262.3692  0.0172 -5.5631 3  142.1539236  59516140429 326 3    28 127 3      C-13-H3C(O)CH3
  751262.3692  0.0172 -5.5631 3  142.1539236  59516140429 426 3    28 227 3      C-13-H3C(O)CH3
  751262.9016  0.0191 -5.5960 3  142.1540236  59516140429 426 4    28 227 4      C-13-H3C(O)CH3
  751262.9016  0.0191 -5.5960 3  142.1540236  59516140429 326 4    28 127 4      C-13-H3C(O)CH3
  751281.2727  0.4490 -5.4994 3  985.3204484  595161404603723 3    593822 3      C-13-H3C(O)CH3
  751281.6518  0.0109 -4.8449 3  243.3472488  5951614043022 9 0    291910 0      C-13-H3C(O)CH3
  751284.0497  0.0084 -5.7412 3  168.1091424  595161404261611 0    251114 0      C-13-H3C(O)CH3
  751334.9503  0.0158 -5.1937 3  243.3297488  5951614043022 8 2    291910 2      C-13-H3C(O)CH3
  751368.8253  0.0648 -4.0781 3  645.1416792  595161404492921 2    482820 2      C-13-H3C(O)CH3
  751396.3804  0.1771 -5.4252 3 1087.4012A16  595161404633925 0    624022 0      C-13-H3C(O)CH3
  751437.3516  0.0150 -5.4608 3  228.9062472  5951614042922 7 1    281910 1      C-13-H3C(O)CH3
  751466.0207  0.0103 -4.9543 3  228.9296472  5951614042922 7 0    281910 0      C-13-H3C(O)CH3
  751500.5712  0.0088 -4.6473 3  174.3927488  59516140430 624 0    29 525 0      C-13-H3C(O)CH3
  751500.5712  0.0088 -5.9763 3  174.3927488  59516140430 724 0    29 525 0      C-13-H3C(O)CH3
  751500.5712  0.0088 -4.6473 3  174.3927488  59516140430 724 0    29 425 0      C-13-H3C(O)CH3
  751500.5712  0.0088 -5.9763 3  174.3927488  59516140430 624 0    29 425 0      C-13-H3C(O)CH3
  751528.4769  0.0166 -5.3459 3  228.9119472  5951614042922 7 2    281910 2      C-13-H3C(O)CH3
  751570.5139  0.0097 -4.1725 3  482.0694340  595161404422815 4    412715 4      C-13-H3C(O)CH3
  751593.9950  0.0245 -5.8819 3  228.8853236  5951614042922 7 4    281910 4      C-13-H3C(O)CH3
  751611.4519  0.0087 -4.0812 3  482.0893680  595161404422815 2    412715 2      C-13-H3C(O)CH3
  751617.7269  0.0067 -4.4310 3  482.0873680  595161404422815 1    412715 1      C-13-H3C(O)CH3
  751650.7588  0.3470 -5.5501 3  985.3097484  595161404603723 4    593822 4      C-13-H3C(O)CH3
  751735.1758  0.0042 -3.3258 3  463.9634648  5951614044032 9 0    3931 8 0      C-13-H3C(O)CH3
  751735.1852  0.0042 -3.3258 3  463.9634648  5951614044032 8 0    3931 9 0      C-13-H3C(O)CH3
  751770.0384  0.0580 -4.3791 3  645.1199396  595161404492921 4    482820 4      C-13-H3C(O)CH3
  751789.7105  0.0582 -4.3790 3  645.1196396  595161404492921 3    482820 3      C-13-H3C(O)CH3
  751793.9996  0.1905 -4.7652 3  759.9176428  595161404533122 3    523221 3      C-13-H3C(O)CH3
  751802.5999  0.0049 -3.3258 3  463.9264648  5951614044032 9 1    3931 9 1      C-13-H3C(O)CH3
  751807.4715  0.0049 -3.3258 3  463.9449648  5951614044032 9 2    3931 9 2      C-13-H3C(O)CH3
  751814.4283  0.0075 -4.9810 3  482.0791340  595161404422815 3    412715 3      C-13-H3C(O)CH3
  751824.5626  0.0061 -4.3728 3  261.9486268  595161404331419 4    321320 4      C-13-H3C(O)CH3
  751824.8668  0.0055 -4.3728 3  261.9486268  595161404331419 3    321320 3      C-13-H3C(O)CH3
  751824.9893  0.0061 -4.3728 3  261.9486268  595161404331519 4    321220 4      C-13-H3C(O)CH3
  751825.2956  0.0055 -4.3728 3  261.9486268  595161404331519 3    321220 3      C-13-H3C(O)CH3
  751825.4144  0.1948 -5.7669 3 1081.7496508  595161404633826 4    623923 4      C-13-H3C(O)CH3
  751842.3240  0.0047 -3.3258 3  463.9634648  5951614044032 8 2    3931 8 2      C-13-H3C(O)CH3
  751854.7221  0.1836 -4.7658 3  759.9159428  595161404533122 4    523221 4      C-13-H3C(O)CH3
  751875.6766  0.0066 -3.6268 3  463.9077324  5951614044032 9 4    3931 9 4      C-13-H3C(O)CH3
  751896.4901  0.0048 -3.3256 3  463.9521648  5951614044032 8 1    3931 8 1      C-13-H3C(O)CH3
  751910.5155  0.0064 -3.6269 3  463.9264324  5951614044032 9 3    3931 9 3      C-13-H3C(O)CH3
  751926.0185  0.1203 -5.7624 3 1081.7466508  595161404633826 3    623923 3      C-13-H3C(O)CH3
  751927.9641  0.0053 -4.0718 3  261.9664536  595161404331419 2    321320 2      C-13-H3C(O)CH3
  751928.3928  0.0053 -4.0718 3  261.9664536  595161404331519 2    321220 2      C-13-H3C(O)CH3
  751948.9731  0.0053 -4.0718 3  261.9685536  595161404331419 1    321320 1      C-13-H3C(O)CH3
  751949.3810  0.0053 -4.0718 3  261.9685536  595161404331519 1    321220 1      C-13-H3C(O)CH3
  751969.6281  0.0064 -3.6267 3  463.9336324  5951614044032 8 3    3931 8 3      C-13-H3C(O)CH3
  751980.0752  0.0218 -5.7475 3  142.0983472  59516140429 426 2    28 127 2      C-13-H3C(O)CH3
  751980.0752  0.0218 -5.4082 3  142.0983472  59516140429 426 2    28 227 2      C-13-H3C(O)CH3
  751980.0752  0.0218 -5.7475 3  142.0983472  59516140429 326 2    28 227 2      C-13-H3C(O)CH3
  751980.0752  0.0218 -5.4082 3  142.0983472  59516140429 326 2    28 127 2      C-13-H3C(O)CH3
  751982.2791  0.0227 -5.2897 3  142.0987472  59516140429 426 1    28 127 1      C-13-H3C(O)CH3
  751982.2791  0.0227 -5.2897 3  142.0987472  59516140429 326 1    28 227 1      C-13-H3C(O)CH3
  751995.0496  0.0201 -4.0023 3  879.0354A00  595161404621944 0    611943 0      C-13-H3C(O)CH3
  751995.0496  0.0201 -5.5793 3  879.0354A00  595161404621844 0    611943 0      C-13-H3C(O)CH3
  751995.0496  0.0201 -4.0023 3  879.0354A00  595161404621844 0    611843 0      C-13-H3C(O)CH3
  751995.0496  0.0201 -5.5793 3  879.0354A00  595161404621944 0    611843 0      C-13-H3C(O)CH3
  752003.7734  0.0067 -3.6267 3  463.9521324  5951614044032 8 4    3931 8 4      C-13-H3C(O)CH3
  752036.7538  0.0223 -4.7220 3  879.0309A00  595161404621944 1    611843 1      C-13-H3C(O)CH3
  752036.7538  0.0223 -4.0802 3  879.0309A00  595161404621944 1    611943 1      C-13-H3C(O)CH3
  752036.7538  0.0223 -4.7220 3  879.0309A00  595161404621844 1    611943 1      C-13-H3C(O)CH3
  752036.7538  0.0223 -4.0802 3  879.0309A00  595161404621844 1    611843 1      C-13-H3C(O)CH3
  752037.7740  0.0226 -4.0214 3  879.0308A00  595161404621944 2    611843 2      C-13-H3C(O)CH3
  752037.7740  0.0226 -4.0214 3  879.0308A00  595161404621844 2    611943 2      C-13-H3C(O)CH3
  752037.7740  0.0226 -5.1603 3  879.0308A00  595161404621944 2    611943 2      C-13-H3C(O)CH3
  752037.7740  0.0226 -5.1603 3  879.0308A00  595161404621844 2    611843 2      C-13-H3C(O)CH3
  752051.9198  0.0051 -4.0717 3  261.9863536  595161404331419 0    321320 0      C-13-H3C(O)CH3
  752052.3279  0.0051 -4.0717 3  261.9863536  595161404331519 0    321220 0      C-13-H3C(O)CH3
  752057.2983  0.1194 -5.4650 3 1081.7277A16  595161404633826 1    623923 1      C-13-H3C(O)CH3
  752061.7115  0.0152 -4.0719 3  719.3253840  595161404522924 0    512823 0      C-13-H3C(O)CH3
  752079.5250  0.0249 -5.3982 3  879.0263500  595161404621944 3    611843 3      C-13-H3C(O)CH3
  752079.5250  0.0249 -4.3274 3  879.0263500  595161404621944 3    611943 3      C-13-H3C(O)CH3
  752079.5250  0.0249 -5.3982 3  879.0263500  595161404621844 3    611943 3      C-13-H3C(O)CH3
  752079.5250  0.0249 -4.3274 3  879.0263500  595161404621844 3    611843 3      C-13-H3C(O)CH3
  752079.5999  0.0250 -4.3896 3  879.0263500  595161404621844 4    611943 4      C-13-H3C(O)CH3
  752079.5999  0.0250 -4.9880 3  879.0263500  595161404621844 4    611843 4      C-13-H3C(O)CH3
  752079.5999  0.0250 -4.3896 3  879.0263500  595161404621944 4    611843 4      C-13-H3C(O)CH3
  752079.5999  0.0250 -4.9880 3  879.0263500  595161404621944 4    611943 4      C-13-H3C(O)CH3
  752091.0084  0.0072 -4.2140 3  970.4662620  59516140477 276 3    76 275 3      C-13-H3C(O)CH3
  752091.0084  0.0072 -5.9617 3  970.4662620  59516140477 276 3    76 175 3      C-13-H3C(O)CH3
  752091.0084  0.0072 -4.2140 3  970.4662620  59516140477 176 3    76 175 3      C-13-H3C(O)CH3
  752091.0084  0.0072 -5.9617 3  970.4662620  59516140477 176 3    76 275 3      C-13-H3C(O)CH3
  752091.0270  0.0072 -4.2066 3  970.4663620  59516140477 176 4    76 275 4      C-13-H3C(O)CH3
  752091.0270  0.0072 -4.2066 3  970.4663620  59516140477 276 4    76 175 4      C-13-H3C(O)CH3
  752097.9201  0.1508 -5.4651 3 1081.7271A16  595161404633826 2    623923 2      C-13-H3C(O)CH3
  752109.9163  0.0118 -3.9347 3  970.4412C40  59516140477 176 2    76 175 2      C-13-H3C(O)CH3
  752109.9163  0.0118 -5.0869 3  970.4412C40  59516140477 176 2    76 275 2      C-13-H3C(O)CH3
  752109.9163  0.0118 -3.9347 3  970.4412C40  59516140477 276 2    76 275 2      C-13-H3C(O)CH3
  752109.9163  0.0118 -5.0869 3  970.4412C40  59516140477 276 2    76 175 2      C-13-H3C(O)CH3
  752110.0350  0.0102 -4.1822 3  970.4416C40  59516140477 276 1    76 275 1      C-13-H3C(O)CH3
  752110.0350  0.0102 -4.2316 3  970.4416C40  59516140477 276 1    76 175 1      C-13-H3C(O)CH3
  752110.0350  0.0102 -4.1366 3  970.4416C40  59516140477 176 1    76 175 1      C-13-H3C(O)CH3
  752110.0350  0.0102 -4.2892 3  970.4416C40  59516140477 176 1    76 275 1      C-13-H3C(O)CH3
  752118.8391  0.0114 -3.9726 3  337.5797584  595161404362016 2    351917 2      C-13-H3C(O)CH3
  752128.8914  0.0073 -3.9071 3  970.4166C40  59516140477 176 0    76 175 0      C-13-H3C(O)CH3
  752128.8914  0.0073 -3.9071 3  970.4166C40  59516140477 276 0    76 275 0      C-13-H3C(O)CH3
  752169.1837  0.0137 -4.2733 3  337.5569292  595161404362016 3    351917 3      C-13-H3C(O)CH3
  752174.4127  0.0127 -4.2733 3  337.5569292  595161404362016 4    351917 4      C-13-H3C(O)CH3
  752180.5478  0.0144 -4.0721 3  719.3171840  595161404522924 1    512823 1      C-13-H3C(O)CH3
  752196.4354  0.0167 -4.0697 3  948.4731B28  59516140470 961 0    691060 0      C-13-H3C(O)CH3
  752196.4354  0.0167 -4.6504 3  948.4731B28  59516140470 961 0    69 960 0      C-13-H3C(O)CH3
  752196.4354  0.0167 -4.6504 3  948.4731B28  595161404701061 0    691060 0      C-13-H3C(O)CH3
  752196.4354  0.0167 -4.0697 3  948.4731B28  595161404701061 0    69 960 0      C-13-H3C(O)CH3
  752212.1380  0.0317 -4.3279 3  948.4457B28  59516140470 961 1    691060 1      C-13-H3C(O)CH3
  752212.1380  0.0317 -4.3279 3  948.4457B28  595161404701061 1    69 960 1      C-13-H3C(O)CH3
  752212.1380  0.0317 -4.2178 3  948.4457B28  595161404701061 1    691060 1      C-13-H3C(O)CH3
  752212.1380  0.0317 -4.2178 3  948.4457B28  59516140470 961 1    69 960 1      C-13-H3C(O)CH3
  752212.2813  0.0310 -3.9697 3  948.4455B28  595161404701061 2    691060 2      C-13-H3C(O)CH3
  752212.2813  0.0310 -3.9707 3  948.4455B28  59516140470 961 2    69 960 2      C-13-H3C(O)CH3
  752215.0973  0.0147 -4.0722 3  719.3145840  595161404522924 2    512823 2      C-13-H3C(O)CH3
  752227.2222  0.0086 -3.9728 3  337.6075584  595161404362016 0    351917 0      C-13-H3C(O)CH3
  752228.0022  0.0193 -4.7665 3  948.4180564  595161404701061 4    69 960 4      C-13-H3C(O)CH3
  752228.0022  0.0193 -4.4357 3  948.4180564  595161404701061 4    691060 4      C-13-H3C(O)CH3
  752228.0022  0.0193 -4.4357 3  948.4180564  59516140470 961 4    69 960 4      C-13-H3C(O)CH3
  752228.0022  0.0193 -4.7665 3  948.4180564  59516140470 961 4    691060 4      C-13-H3C(O)CH3
  752228.0031  0.0193 -4.2765 3  948.4181564  595161404701061 3    691060 3      C-13-H3C(O)CH3
  752228.0031  0.0193 -6.0533 3  948.4181564  595161404701061 3    69 960 3      C-13-H3C(O)CH3
  752228.0031  0.0193 -6.0533 3  948.4181564  59516140470 961 3    691060 3      C-13-H3C(O)CH3
  752228.0031  0.0193 -4.2765 3  948.4181564  59516140470 961 3    69 960 3      C-13-H3C(O)CH3
  752274.4029  0.1011 -5.4665 3 1081.7070A16  595161404633826 0    623923 0      C-13-H3C(O)CH3
  752277.8540  0.0102 -3.9725 3  337.5847584  595161404362016 1    351917 1      C-13-H3C(O)CH3
  752319.1717  0.0251 -3.9082 3  547.0343728  595161404452818 0    442717 0      C-13-H3C(O)CH3
  752334.6532  0.0132 -4.3735 3  719.3062420  595161404522924 4    512823 4      C-13-H3C(O)CH3
  752336.3331  0.2993 -5.2111 3  985.2853968  595161404603723 1    593822 1      C-13-H3C(O)CH3
  752336.5726  0.0133 -4.3735 3  719.3061420  595161404522924 3    512823 3      C-13-H3C(O)CH3
  752349.1874  0.4158 -5.2131 3  985.2858968  595161404603723 2    593822 2      C-13-H3C(O)CH3
  752422.0879  0.0047 -3.4325 3  471.8560664  595161404413012 0    402911 0      C-13-H3C(O)CH3
  752434.8837  0.0047 -3.4325 3  471.8557664  595161404413011 0    402912 0      C-13-H3C(O)CH3
  752484.4770  0.0057 -3.4326 3  471.8286664  595161404413012 1    402912 1      C-13-H3C(O)CH3
  752490.5595  0.2043 -4.4612 3  759.9140856  595161404533122 2    523221 2      C-13-H3C(O)CH3
  752534.8284  0.0054 -3.4323 3  471.8397664  595161404413012 2    402912 2      C-13-H3C(O)CH3
  752550.7923  0.0048 -3.4327 3  471.8685664  595161404413011 2    402911 2      C-13-H3C(O)CH3
  752567.1676  0.0047 -3.4326 3  471.8497664  595161404413011 1    402911 1      C-13-H3C(O)CH3
  752590.9139  0.0069 -3.7334 3  471.8122332  595161404413012 4    402912 4      C-13-H3C(O)CH3
  752596.7764  0.0223 -3.9075 3  547.0147728  595161404452818 1    442717 1      C-13-H3C(O)CH3
  752607.5665  0.0063 -3.7341 3  471.8410332  595161404413011 3    402911 3      C-13-H3C(O)CH3
  752638.2282  0.1256 -4.4604 3  759.9146856  595161404533122 1    523221 1      C-13-H3C(O)CH3
  752674.4967  0.0061 -3.7337 3  471.8334332  595161404413012 3    402912 3      C-13-H3C(O)CH3
  752690.6526  0.0057 -3.7337 3  471.8622332  595161404413011 4    402911 4      C-13-H3C(O)CH3
  752698.3074  0.0208 -5.2596 3  142.0432472  59516140429 426 0    28 127 0      C-13-H3C(O)CH3
  752698.3074  0.0208 -5.2495 3  142.0432472  59516140429 326 0    28 227 0      C-13-H3C(O)CH3
  752739.1522  0.0194 -6.0468 3  190.1371220  5951614042719 9 4    261412 4      C-13-H3C(O)CH3
  752909.6242  0.0383 -3.9066 3  547.0029728  595161404452818 2    442717 2      C-13-H3C(O)CH3
  752919.0525  0.0053 -3.6012 3  482.1026680  595161404422814 0    412715 0      C-13-H3C(O)CH3
  752990.2424  0.0198 -3.9936 3  891.7267A16  595161404631746 0    621845 0      C-13-H3C(O)CH3
  752990.2424  0.0198 -4.0185 3  891.7267A16  595161404631846 0    621745 0      C-13-H3C(O)CH3
  752990.2424  0.0198 -5.2291 3  891.7267A16  595161404631746 0    621745 0      C-13-H3C(O)CH3
  753030.7945  0.0226 -4.1813 3  891.7207A16  595161404631746 1    621845 1      C-13-H3C(O)CH3
  753030.7945  0.0226 -4.1623 3  891.7207A16  595161404631846 1    621745 1      C-13-H3C(O)CH3
  753030.7945  0.0226 -4.4840 3  891.7207A16  595161404631846 1    621845 1      C-13-H3C(O)CH3
  753030.7945  0.0226 -4.4468 3  891.7207A16  595161404631746 1    621745 1      C-13-H3C(O)CH3
  753031.5917  0.0228 -4.0371 3  891.7207A16  595161404631846 2    621845 2      C-13-H3C(O)CH3
  753031.5917  0.0228 -5.0086 3  891.7207A16  595161404631746 2    621845 2      C-13-H3C(O)CH3
  753031.5917  0.0228 -4.0371 3  891.7207A16  595161404631746 2    621745 2      C-13-H3C(O)CH3
  753031.5917  0.0228 -5.0086 3  891.7207A16  595161404631846 2    621745 2      C-13-H3C(O)CH3
  753072.1883  0.0250 -4.6741 3  891.7146508  595161404631846 3    621845 3      C-13-H3C(O)CH3
  753072.1883  0.0250 -4.5282 3  891.7146508  595161404631846 3    621745 3      C-13-H3C(O)CH3
  753072.1883  0.0250 -4.6741 3  891.7146508  595161404631746 3    621745 3      C-13-H3C(O)CH3
  753072.1883  0.0250 -4.5282 3  891.7146508  595161404631746 3    621845 3      C-13-H3C(O)CH3
  753072.2588  0.0250 -5.4063 3  891.7146508  595161404631846 4    621745 4      C-13-H3C(O)CH3
  753072.2588  0.0250 -4.3621 3  891.7146508  595161404631746 4    621845 4      C-13-H3C(O)CH3
  753072.2588  0.0250 -4.3289 3  891.7146508  595161404631846 4    621845 4      C-13-H3C(O)CH3
  753072.2588  0.0250 -5.1321 3  891.7146508  595161404631746 4    621745 4      C-13-H3C(O)CH3
  753133.2232  0.0071 -3.7062 3  477.8894680  595161404422715 0    412616 0      C-13-H3C(O)CH3
  753144.0229  0.0346 -4.2080 3  546.9838364  595161404452818 4    442717 4      C-13-H3C(O)CH3
  753161.7843  0.0151 -3.6706 3  482.0873680  595161404422814 1    412715 1      C-13-H3C(O)CH3
  753216.3218  0.0076 -3.7080 3  477.8734680  595161404422715 1    412616 1      C-13-H3C(O)CH3
  753218.7368  0.3245 -5.1969 3  985.2565968  595161404603723 0    593822 0      C-13-H3C(O)CH3
  753220.4786  0.0188 -3.9391 3  482.0791340  595161404422814 3    412715 3      C-13-H3C(O)CH3
  753221.6205  0.0411 -4.2059 3  546.9831364  595161404452818 3    442717 3      C-13-H3C(O)CH3
  753235.9581  0.0106 -4.0066 3  477.8578340  595161404422715 3    412616 3      C-13-H3C(O)CH3
  753248.3493  0.0096 -3.7119 3  477.8729680  595161404422715 2    412616 2      C-13-H3C(O)CH3
  753291.9234  0.0142 -5.7014 3  190.1465440  5951614042719 9 1    261412 1      C-13-H3C(O)CH3
  753299.8775  0.1420 -4.4571 3  759.9119856  595161404533122 0    523221 0      C-13-H3C(O)CH3
  753323.8493  0.0119 -4.2094 3  973.9461628  59516140478 178 4    77 077 4      C-13-H3C(O)CH3
  753323.8493  0.0119 -5.8435 3  973.9461628  59516140478 178 4    77 177 4      C-13-H3C(O)CH3
  753323.8493  0.0119 -4.2094 3  973.9461628  59516140478 078 4    77 177 4      C-13-H3C(O)CH3
  753323.8493  0.0119 -5.8435 3  973.9461628  59516140478 078 4    77 077 4      C-13-H3C(O)CH3
  753323.8685  0.0120 -4.5339 3  973.9461628  59516140478 178 3    77 177 3      C-13-H3C(O)CH3
  753323.8685  0.0120 -4.4693 3  973.9461628  59516140478 178 3    77 077 3      C-13-H3C(O)CH3
  753323.8685  0.0120 -4.5339 3  973.9461628  59516140478 078 3    77 077 3      C-13-H3C(O)CH3
  753323.8685  0.0120 -4.4693 3  973.9461628  59516140478 078 3    77 177 3      C-13-H3C(O)CH3
  753326.6144  0.0181 -4.2283 3  973.8834C56  59516140478 178 1    77 077 1      C-13-H3C(O)CH3
  753326.6144  0.0181 -4.1721 3  973.8834C56  59516140478 178 1    77 177 1      C-13-H3C(O)CH3
  753326.6144  0.0181 -4.2283 3  973.8834C56  59516140478 078 1    77 177 1      C-13-H3C(O)CH3
  753326.6144  0.0181 -4.1721 3  973.8834C56  59516140478 078 1    77 077 1      C-13-H3C(O)CH3
  753326.8070  0.0212 -4.4663 3  973.8832C56  59516140478 078 2    77 177 2      C-13-H3C(O)CH3
  753326.8070  0.0212 -4.0351 3  973.8832C56  59516140478 178 2    77 177 2      C-13-H3C(O)CH3
  753326.8070  0.0212 -4.0351 3  973.8832C56  59516140478 078 2    77 077 2      C-13-H3C(O)CH3
  753326.8070  0.0212 -4.4663 3  973.8832C56  59516140478 178 2    77 077 2      C-13-H3C(O)CH3
  753329.5337  0.0137 -6.1884 3  973.8206C56  59516140478 178 0    77 077 0      C-13-H3C(O)CH3
  753329.5337  0.0137 -3.9006 3  973.8206C56  59516140478 078 0    77 077 0      C-13-H3C(O)CH3
  753329.5337  0.0137 -3.9003 3  973.8206C56  59516140478 178 0    77 177 0      C-13-H3C(O)CH3
  753329.5337  0.0137 -6.1328 3  973.8206C56  59516140478 078 0    77 177 0      C-13-H3C(O)CH3
  753342.2874  0.0144 -5.9171 3  190.1367220  5951614042719 9 3    261412 3      C-13-H3C(O)CH3
  753350.0081  0.0170 -3.9796 3  956.2328B44  59516140471 863 0    70 862 0      C-13-H3C(O)CH3
  753350.0081  0.0170 -3.9796 3  956.2328B44  59516140471 963 0    70 962 0      C-13-H3C(O)CH3
  753350.0081  0.0170 -5.5207 3  956.2328B44  59516140471 963 0    70 862 0      C-13-H3C(O)CH3
  753350.0081  0.0170 -5.5207 3  956.2328B44  59516140471 863 0    70 962 0      C-13-H3C(O)CH3
  753359.6146  0.0323 -3.9715 3  956.2029B44  59516140471 963 1    70 962 1      C-13-H3C(O)CH3
  753359.6146  0.0323 -5.9722 3  956.2029B44  59516140471 963 1    70 862 1      C-13-H3C(O)CH3
  753359.6146  0.0323 -3.9715 3  956.2029B44  59516140471 863 1    70 862 1      C-13-H3C(O)CH3
  753359.6146  0.0323 -5.9722 3  956.2029B44  59516140471 863 1    70 962 1      C-13-H3C(O)CH3
  753359.7919  0.0316 -4.7354 3  956.2028B44  59516140471 863 2    70 962 2      C-13-H3C(O)CH3
  753359.7919  0.0316 -4.0484 3  956.2028B44  59516140471 863 2    70 862 2      C-13-H3C(O)CH3
  753359.7919  0.0316 -4.0484 3  956.2028B44  59516140471 963 2    70 962 2      C-13-H3C(O)CH3
  753359.7919  0.0316 -4.7354 3  956.2028B44  59516140471 963 2    70 862 2      C-13-H3C(O)CH3
  753369.3993  0.0183 -4.3169 3  956.1728572  59516140471 963 4    70 962 4      C-13-H3C(O)CH3
  753369.3993  0.0183 -5.2424 3  956.1728572  59516140471 963 4    70 862 4      C-13-H3C(O)CH3
  753369.3993  0.0183 -4.3169 3  956.1728572  59516140471 863 4    70 862 4      C-13-H3C(O)CH3
  753369.3993  0.0183 -5.2424 3  956.1728572  59516140471 863 4    70 962 4      C-13-H3C(O)CH3
  753369.4138  0.0183 -4.2689 3  956.1729572  59516140471 963 3    70 862 3      C-13-H3C(O)CH3
  753369.4138  0.0183 -4.2689 3  956.1729572  59516140471 863 3    70 962 3      C-13-H3C(O)CH3
  753427.0113  0.0128 -4.0226 3  477.8557340  595161404422715 4    412616 4      C-13-H3C(O)CH3
  753466.6701  0.0303 -3.7748 3  482.0893680  595161404422814 2    412715 2      C-13-H3C(O)CH3
  753617.8801  0.3309 -6.1177 3 1248.0467A80  595161404674424 2    664521 2      C-13-H3C(O)CH3
  753696.0301  0.3602 -6.0413 3 1248.0508A80  595161404674424 1    664521 1      C-13-H3C(O)CH3
  753903.2723  0.0136 -5.6576 3  190.1382440  5951614042719 9 2    261412 2      C-13-H3C(O)CH3
  753950.5524  0.3513 -5.7934 3 1247.9998A80  595161404674424 0    664521 0      C-13-H3C(O)CH3
  754002.1841  0.3135 -6.0720 3 1248.0467A80  595161404674423 2    664521 2      C-13-H3C(O)CH3
  754015.4520  0.0193 -3.9959 3  903.8644A32  595161404641748 0    631647 0      C-13-H3C(O)CH3
  754015.4520  0.0193 -4.0222 3  903.8644A32  595161404641648 0    631747 0      C-13-H3C(O)CH3
  754015.4520  0.0193 -5.2138 3  903.8644A32  595161404641748 0    631747 0      C-13-H3C(O)CH3
  754028.6164  0.4237 -6.0724 3 1248.0330A80  595161404674424 2    664522 2      C-13-H3C(O)CH3
  754045.7637  0.0454 -4.2348 3  482.0694340  595161404422814 4    412715 4      C-13-H3C(O)CH3
  754054.6605  0.0230 -3.9968 3  903.8566A32  595161404641648 1    631647 1      C-13-H3C(O)CH3
  754054.6605  0.0230 -3.9968 3  903.8566A32  595161404641748 1    631747 1      C-13-H3C(O)CH3
  754055.2670  0.0230 -5.9024 3  903.8565A32  595161404641748 2    631647 2      C-13-H3C(O)CH3
  754055.2670  0.0230 -4.0005 3  903.8565A32  595161404641748 2    631747 2      C-13-H3C(O)CH3
  754055.2670  0.0230 -4.0005 3  903.8565A32  595161404641648 2    631647 2      C-13-H3C(O)CH3
  754055.2670  0.0230 -5.9024 3  903.8565A32  595161404641648 2    631747 2      C-13-H3C(O)CH3
  754079.7507  0.3847 -6.1540 3 1248.0508A80  595161404674423 1    664521 1      C-13-H3C(O)CH3
  754094.5177  0.0249 -4.4542 3  903.8487516  595161404641648 3    631647 3      C-13-H3C(O)CH3
  754094.5177  0.0249 -4.7215 3  903.8487516  595161404641648 3    631747 3      C-13-H3C(O)CH3
  754094.5177  0.0249 -4.8118 3  903.8487516  595161404641748 3    631647 3      C-13-H3C(O)CH3
  754094.5177  0.0249 -4.5006 3  903.8487516  595161404641748 3    631747 3      C-13-H3C(O)CH3
  754094.5832  0.0249 -4.3397 3  903.8487516  595161404641748 4    631747 4      C-13-H3C(O)CH3
  754094.5832  0.0249 -4.3397 3  903.8487516  595161404641648 4    631647 4      C-13-H3C(O)CH3
  754094.5832  0.0249 -5.3160 3  903.8487516  595161404641648 4    631747 4      C-13-H3C(O)CH3
  754094.5832  0.0249 -5.3160 3  903.8487516  595161404641748 4    631647 4      C-13-H3C(O)CH3
  754182.1727  0.4522 -6.1543 3 1248.0346A80  595161404674424 1    664522 1      C-13-H3C(O)CH3
  754275.9216  0.0115 -5.5782 3  190.1480440  5951614042719 9 0    261412 0      C-13-H3C(O)CH3
  754351.9328  0.3552 -5.7929 3 1247.9993A80  595161404674423 0    664522 0      C-13-H3C(O)CH3
  754393.4501  0.3299 -6.1244 3 1379.3658B28  595161404704822 2    694920 2      C-13-H3C(O)CH3
  754412.9203  0.4688 -6.1170 3 1248.0330A80  595161404674423 2    664522 2      C-13-H3C(O)CH3
  754476.0390  0.3956 -6.1243 3 1379.3200B28  595161404704823 0    694920 0      C-13-H3C(O)CH3
  754480.4966  0.3957 -6.1243 3 1379.3200B28  595161404704822 0    694921 0      C-13-H3C(O)CH3
  754514.9024  0.0167 -3.9701 3  963.4556B60  59516140472 765 0    71 764 0      C-13-H3C(O)CH3
  754514.9024  0.0167 -5.9468 3  963.4556B60  59516140472 765 0    71 864 0      C-13-H3C(O)CH3
  754514.9024  0.0167 -3.9701 3  963.4556B60  59516140472 865 0    71 864 0      C-13-H3C(O)CH3
  754514.9024  0.0167 -5.9468 3  963.4556B60  59516140472 865 0    71 764 0      C-13-H3C(O)CH3
  754517.7102  0.0313 -4.6078 3  963.4240B60  59516140472 765 1    71 764 1      C-13-H3C(O)CH3
  754517.7102  0.0313 -4.6078 3  963.4240B60  59516140472 865 1    71 864 1      C-13-H3C(O)CH3
  754517.7102  0.0313 -4.0778 3  963.4240B60  59516140472 765 1    71 864 1      C-13-H3C(O)CH3
  754517.7102  0.0313 -4.0778 3  963.4240B60  59516140472 865 1    71 764 1      C-13-H3C(O)CH3
  754517.9258  0.0307 -3.9892 3  963.4239B60  59516140472 865 2    71 864 2      C-13-H3C(O)CH3
  754517.9258  0.0307 -3.9892 3  963.4239B60  59516140472 765 2    71 764 2      C-13-H3C(O)CH3
  754517.9258  0.0307 -5.2407 3  963.4239B60  59516140472 765 2    71 864 2      C-13-H3C(O)CH3
  754517.9258  0.0307 -5.2407 3  963.4239B60  59516140472 865 2    71 764 2      C-13-H3C(O)CH3
  754520.7176  0.0170 -4.6052 3  963.3922580  59516140472 865 4    71 864 4      C-13-H3C(O)CH3
  754520.7176  0.0170 -4.5328 3  963.3922580  59516140472 865 4    71 764 4      C-13-H3C(O)CH3
  754520.7176  0.0170 -4.5328 3  963.3922580  59516140472 765 4    71 864 4      C-13-H3C(O)CH3
  754520.7176  0.0170 -4.6052 3  963.3922580  59516140472 765 4    71 764 4      C-13-H3C(O)CH3
  754520.7453  0.0170 -4.2881 3  963.3923580  59516140472 865 3    71 864 3      C-13-H3C(O)CH3
  754520.7453  0.0170 -5.5791 3  963.3923580  59516140472 865 3    71 764 3      C-13-H3C(O)CH3
  754520.7453  0.0170 -4.2881 3  963.3923580  59516140472 765 3    71 764 3      C-13-H3C(O)CH3
  754520.7453  0.0170 -5.5791 3  963.3923580  59516140472 765 3    71 864 3      C-13-H3C(O)CH3
  754546.4545  0.0063 -3.1679 3  460.9872616 -5951614043837 2 0    3736 1 0      C-13-H3C(O)CH3
  754546.4545  0.0063 -3.1679 3  460.9872616 -5951614043837 1 0    3736 2 0      C-13-H3C(O)CH3
  754556.8283  0.3804 -6.1240 3 1379.3691B28  595161404704822 1    694920 1      C-13-H3C(O)CH3
  754565.8933  0.4298 -6.0406 3 1248.0346A80  595161404674423 1    664522 1      C-13-H3C(O)CH3
  754589.6206  0.0130 -6.1676 3  190.1465440  5951614042719 8 1    261412 1      C-13-H3C(O)CH3
  754636.6690  0.0065 -3.1677 3  460.9234616 -5951614043837 2 2    3736 2 2      C-13-H3C(O)CH3
  754695.9340  0.3230 -6.1243 3 1379.3281B28  595161404704823 2    694921 2      C-13-H3C(O)CH3
  754734.3971  0.0068 -3.1676 3  460.9292616 -5951614043837 2 1    3736 2 1      C-13-H3C(O)CH3
  754763.2602  0.0071 -3.1676 3  460.9711616 -5951614043837 1 2    3736 1 2      C-13-H3C(O)CH3
  754803.7582  0.0068 -3.1676 3  460.9977616 -5951614043837 1 1    3736 1 1      C-13-H3C(O)CH3
  754824.1190  0.0097 -3.4684 3  460.8655308  5951614043837 2 4    3736 2 4      C-13-H3C(O)CH3
  754882.1155  0.3590 -6.1240 3 1379.3260B28  595161404704823 1    694921 1      C-13-H3C(O)CH3
  754893.3021  0.0090 -3.4685 3  460.9338308  5951614043837 1 3    3736 1 3      C-13-H3C(O)CH3
  754950.4942  0.0094 -3.4683 3  460.9131308  5951614043837 2 3    3736 2 3      C-13-H3C(O)CH3
  755001.5410  0.4646 -6.1913 3 1491.5195E96  59516140493 489 1    93 490 1      C-13-H3C(O)CH3
  755001.5410  0.4646 -6.1913 3 1491.5195E96  59516140493 589 1    93 390 1      C-13-H3C(O)CH3
  755016.8507  0.0092 -5.0896 3  251.3715252  595161404312011 4    301714 4      C-13-H3C(O)CH3
  755020.3299  0.0098 -3.4684 3  460.9815308  5951614043837 1 4    3736 1 4      C-13-H3C(O)CH3
  755032.0826  0.0090 -4.7872 3  251.3866504  595161404312011 2    301714 2      C-13-H3C(O)CH3
  755032.2447  0.0100 -5.0898 3  251.3716252  595161404312011 3    301714 3      C-13-H3C(O)CH3
  755038.8403  0.0090 -4.7891 3  251.3921504  595161404312011 1    301714 1      C-13-H3C(O)CH3
  755044.5239  0.0090 -4.7876 3  251.4072504  595161404312011 0    301714 0      C-13-H3C(O)CH3
  755065.3199  0.0187 -4.0279 3  915.4521A48  595161404651550 0    641649 0      C-13-H3C(O)CH3
  755065.3199  0.0187 -4.0279 3  915.4521A48  595161404651650 0    641549 0      C-13-H3C(O)CH3
  755065.3199  0.0187 -5.1632 3  915.4521A48  595161404651650 0    641649 0      C-13-H3C(O)CH3
  755065.3199  0.0187 -5.1632 3  915.4521A48  595161404651550 0    641549 0      C-13-H3C(O)CH3
  755102.9095  0.0235 -4.0462 3  915.4422A48  595161404651550 1    641549 1      C-13-H3C(O)CH3
  755102.9095  0.0235 -4.0462 3  915.4422A48  595161404651650 1    641649 1      C-13-H3C(O)CH3
  755102.9095  0.0235 -4.9692 3  915.4422A48  595161404651650 1    641549 1      C-13-H3C(O)CH3
  755102.9095  0.0235 -4.9692 3  915.4422A48  595161404651550 1    641649 1      C-13-H3C(O)CH3
  755103.3543  0.0234 -5.8218 3  915.4421A48  595161404651550 2    641549 2      C-13-H3C(O)CH3
  755103.3543  0.0234 -4.0037 3  915.4421A48  595161404651550 2    641649 2      C-13-H3C(O)CH3
  755103.3543  0.0234 -4.0037 3  915.4421A48  595161404651650 2    641549 2      C-13-H3C(O)CH3
  755103.3543  0.0234 -5.8218 3  915.4421A48  595161404651650 2    641649 2      C-13-H3C(O)CH3
  755140.9836  0.0246 -4.6584 3  915.4322524  595161404651550 3    641549 3      C-13-H3C(O)CH3
  755140.9836  0.0246 -4.5471 3  915.4322524  595161404651650 3    641549 3      C-13-H3C(O)CH3
  755140.9836  0.0246 -4.6584 3  915.4322524  595161404651650 3    641649 3      C-13-H3C(O)CH3
  755140.9836  0.0246 -4.5471 3  915.4322524  595161404651550 3    641649 3      C-13-H3C(O)CH3
  755141.0433  0.0246 -4.3270 3  915.4321524  595161404651650 4    641549 4      C-13-H3C(O)CH3
  755141.0433  0.0246 -5.4899 3  915.4321524  595161404651650 4    641649 4      C-13-H3C(O)CH3
  755141.0433  0.0246 -4.3270 3  915.4321524  595161404651550 4    641649 4      C-13-H3C(O)CH3
  755141.0433  0.0246 -5.4899 3  915.4321524  595161404651550 4    641549 4      C-13-H3C(O)CH3
  755681.8036  0.0152 -4.2652 3  970.0777588  59516140473 667 4    72 766 4      C-13-H3C(O)CH3
  755681.8036  0.0152 -4.2652 3  970.0777588  59516140473 767 4    72 666 4      C-13-H3C(O)CH3
  755681.8423  0.0152 -4.2641 3  970.0777588  59516140473 667 3    72 666 3      C-13-H3C(O)CH3
  755681.8423  0.0152 -4.2641 3  970.0777588  59516140473 767 3    72 766 3      C-13-H3C(O)CH3
  755686.0707  0.0283 -4.3455 3  970.1099B76  59516140473 767 1    72 766 1      C-13-H3C(O)CH3
  755686.0707  0.0283 -4.3455 3  970.1099B76  59516140473 667 1    72 666 1      C-13-H3C(O)CH3
  755686.0707  0.0283 -4.1957 3  970.1099B76  59516140473 667 1    72 766 1      C-13-H3C(O)CH3
  755686.0707  0.0283 -4.1957 3  970.1099B76  59516140473 767 1    72 666 1      C-13-H3C(O)CH3
  755686.3099  0.0279 -4.0512 3  970.1097B76  59516140473 667 2    72 766 2      C-13-H3C(O)CH3
  755686.3099  0.0279 -4.0512 3  970.1097B76  59516140473 767 2    72 666 2      C-13-H3C(O)CH3
  755686.3099  0.0279 -4.6996 3  970.1097B76  59516140473 767 2    72 766 2      C-13-H3C(O)CH3
  755686.3099  0.0279 -4.6996 3  970.1097B76  59516140473 667 2    72 666 2      C-13-H3C(O)CH3
  755690.5458  0.0156 -3.9833 3  970.1419B76  59516140473 767 0    72 766 0      C-13-H3C(O)CH3
  755690.5458  0.0156 -3.9833 3  970.1419B76  59516140473 667 0    72 666 0      C-13-H3C(O)CH3
  755690.5458  0.0156 -5.3073 3  970.1419B76  59516140473 667 0    72 766 0      C-13-H3C(O)CH3
  755690.5458  0.0156 -5.3073 3  970.1419B76  59516140473 767 0    72 666 0      C-13-H3C(O)CH3
  756135.4386  0.0067 -4.5062 3  231.0727260  595161404321121 4    311022 4      C-13-H3C(O)CH3
  756135.4389  0.0067 -4.5062 3  231.0727260  595161404321221 4    31 922 4      C-13-H3C(O)CH3
  756135.8591  0.0057 -4.5062 3  231.0727260  595161404321121 3    311022 3      C-13-H3C(O)CH3
  756135.8594  0.0057 -4.5062 3  231.0727260  595161404321221 3    31 922 3      C-13-H3C(O)CH3
  756135.9633  0.0179 -4.3896 3  926.4926A64  595161404661552 0    651551 0      C-13-H3C(O)CH3
  756135.9633  0.0179 -4.2259 3  926.4926A64  595161404661552 0    651451 0      C-13-H3C(O)CH3
  756135.9633  0.0179 -4.2259 3  926.4926A64  595161404661452 0    651551 0      C-13-H3C(O)CH3
  756135.9633  0.0179 -4.3896 3  926.4926A64  595161404661452 0    651451 0      C-13-H3C(O)CH3
  756171.5673  0.0244 -4.3928 3  926.4804A64  595161404661552 1    651551 1      C-13-H3C(O)CH3
  756171.5673  0.0244 -4.2237 3  926.4804A64  595161404661552 1    651451 1      C-13-H3C(O)CH3
  756171.5673  0.0244 -4.3928 3  926.4804A64  595161404661452 1    651451 1      C-13-H3C(O)CH3
  756171.5673  0.0244 -4.2237 3  926.4804A64  595161404661452 1    651551 1      C-13-H3C(O)CH3
  756171.8786  0.0242 -4.2784 3  926.4803A64  595161404661552 2    651551 2      C-13-H3C(O)CH3
  756171.8786  0.0242 -4.2784 3  926.4803A64  595161404661452 2    651451 2      C-13-H3C(O)CH3
  756171.8786  0.0242 -4.3228 3  926.4803A64  595161404661552 2    651451 2      C-13-H3C(O)CH3
  756171.8786  0.0242 -4.3228 3  926.4803A64  595161404661452 2    651551 2      C-13-H3C(O)CH3
  756207.5194  0.0242 -5.8089 3  926.4680532  595161404661552 3    651551 3      C-13-H3C(O)CH3
  756207.5194  0.0242 -4.3137 3  926.4680532  595161404661552 3    651451 3      C-13-H3C(O)CH3
  756207.5194  0.0242 -4.3137 3  926.4680532  595161404661452 3    651551 3      C-13-H3C(O)CH3
  756207.5194  0.0242 -5.8089 3  926.4680532  595161404661452 3    651451 3      C-13-H3C(O)CH3
  756207.5726  0.0242 -4.8181 3  926.4680532  595161404661452 4    651551 4      C-13-H3C(O)CH3
  756207.5726  0.0242 -4.4570 3  926.4680532  595161404661452 4    651451 4      C-13-H3C(O)CH3
  756207.5726  0.0242 -4.4570 3  926.4680532  595161404661552 4    651551 4      C-13-H3C(O)CH3
  756207.5726  0.0242 -4.8181 3  926.4680532  595161404661552 4    651451 4      C-13-H3C(O)CH3
  756249.3968  0.0064 -4.3167 3  287.0267276  595161404341618 4    331519 4      C-13-H3C(O)CH3
  756249.5187  0.0061 -4.3167 3  287.0267276  595161404341618 3    331519 3      C-13-H3C(O)CH3
  756267.1131  0.0064 -4.3167 3  287.0267276  595161404341718 4    331419 4      C-13-H3C(O)CH3
  756267.2888  0.0061 -4.3167 3  287.0267276  595161404341718 3    331419 3      C-13-H3C(O)CH3
  756294.9061  0.0057 -4.0158 3  287.0480552  595161404341618 2    331519 2      C-13-H3C(O)CH3
  756312.7164  0.0057 -4.0158 3  287.0480552  595161404341718 2    331419 2      C-13-H3C(O)CH3
  756324.1524  0.0057 -4.0158 3  287.0508552  595161404341618 1    331519 1      C-13-H3C(O)CH3
  756341.2859  0.0057 -4.0158 3  287.0508552  595161404341718 1    331419 1      C-13-H3C(O)CH3
  756347.1143  0.0053 -4.2050 3  231.0818520  595161404321121 2    311022 2      C-13-H3C(O)CH3
  756347.1146  0.0053 -4.2050 3  231.0818520  595161404321221 2    31 922 2      C-13-H3C(O)CH3
  756360.6411  0.0054 -4.2050 3  231.0831520  595161404321121 1    311022 1      C-13-H3C(O)CH3
  756360.6414  0.0054 -4.2050 3  231.0831520  595161404321221 1    31 922 1      C-13-H3C(O)CH3
  756369.5254  0.0053 -4.0158 3  287.0721552  595161404341618 0    331519 0      C-13-H3C(O)CH3
  756386.7053  0.0053 -4.0158 3  287.0721552  595161404341718 0    331419 0      C-13-H3C(O)CH3
  756393.3267  0.0047 -3.2278 3  464.6882632 -5951614043935 4 0    3834 5 0      C-13-H3C(O)CH3
  756393.3267  0.0047 -3.2278 3  464.6882632 -5951614043935 5 0    3834 4 0      C-13-H3C(O)CH3
  756428.6355  0.0170 -4.0226 3  799.0236904  595161404562531 0    552630 0      C-13-H3C(O)CH3
  756428.6488  0.0170 -4.0226 3  799.0236904  595161404562631 0    552530 0      C-13-H3C(O)CH3
  756452.8553  0.0049 -3.2278 3  464.6475632 -5951614043935 5 2    3834 5 2      C-13-H3C(O)CH3
  756458.3848  0.0500 -4.4581 3  724.5642420  595161404522923 3    513022 3      C-13-H3C(O)CH3
  756467.9583  0.0496 -4.4581 3  724.5639420  595161404522923 4    513022 4      C-13-H3C(O)CH3
  756475.8188  0.0156 -4.0322 3  781.5572888  595161404552629 0    542728 0      C-13-H3C(O)CH3
  756476.5262  0.0156 -4.0322 3  781.5572888  595161404552729 0    542628 0      C-13-H3C(O)CH3
  756478.3491  0.0182 -4.0226 3  799.0234904  595161404562531 1    552630 1      C-13-H3C(O)CH3
  756478.3649  0.0182 -4.0226 3  799.0234904  595161404562631 1    552530 1      C-13-H3C(O)CH3
  756483.3120  0.0196 -4.0226 3  799.0234904  595161404562531 2    552630 2      C-13-H3C(O)CH3
  756483.3273  0.0196 -4.0226 3  799.0234904  595161404562631 2    552530 2      C-13-H3C(O)CH3
  756515.1858  0.0050 -3.2276 3  464.6361632 -5951614043935 5 1    3834 5 1      C-13-H3C(O)CH3
  756528.2744  0.0169 -4.0323 3  781.5562888  595161404552629 1    542728 1      C-13-H3C(O)CH3
  756529.0649  0.0169 -4.0323 3  781.5562888  595161404552729 1    542628 1      C-13-H3C(O)CH3
  756533.0913  0.0214 -4.3237 3  799.0232452  595161404562531 3    552630 3      C-13-H3C(O)CH3
  756533.1093  0.0214 -4.3237 3  799.0232452  595161404562631 3    552530 3      C-13-H3C(O)CH3
  756533.1931  0.0214 -4.3237 3  799.0232452  595161404562531 4    552630 4      C-13-H3C(O)CH3
  756533.2110  0.0214 -4.3237 3  799.0232452  595161404562631 4    552530 4      C-13-H3C(O)CH3
  756535.2446  0.0184 -4.0322 3  781.5560888  595161404552629 2    542728 2      C-13-H3C(O)CH3
  756536.0274  0.0184 -4.0322 3  781.5559888  595161404552729 2    542628 2      C-13-H3C(O)CH3
  756539.4868  0.0051 -3.2277 3  464.6728632 -5951614043935 4 2    3834 4 2      C-13-H3C(O)CH3
  756566.9142  0.0550 -4.1560 3  724.5691840  595161404522923 2    513022 2      C-13-H3C(O)CH3
  756571.5133  0.0053 -4.2047 3  231.0922520  595161404321121 0    311022 0      C-13-H3C(O)CH3
  756571.5136  0.0053 -4.2047 3  231.0922520  595161404321221 0    31 922 0      C-13-H3C(O)CH3
  756575.0728  0.0073 -3.5286 3  464.5954316  5951614043935 5 4    3834 5 4      C-13-H3C(O)CH3
  756582.9766  0.0363 -4.1558 3  724.5712840  595161404522923 1    513022 1      C-13-H3C(O)CH3
  756587.7688  0.0201 -4.3334 3  781.5549444  595161404552629 3    542728 3      C-13-H3C(O)CH3
  756587.8797  0.0202 -4.3334 3  781.5549444  595161404552629 4    542728 4      C-13-H3C(O)CH3
  756588.6437  0.0201 -4.3334 3  781.5549444  595161404552729 3    542628 3      C-13-H3C(O)CH3
  756588.7497  0.0202 -4.3334 3  781.5549444  595161404552729 4    542628 4      C-13-H3C(O)CH3
  756607.4125  0.0051 -3.2275 3  464.6830632 -5951614043935 4 1    3834 4 1      C-13-H3C(O)CH3
  756661.0453  0.0074 -3.5285 3  464.6208316  5951614043935 5 3    3834 5 3      C-13-H3C(O)CH3
  756666.6060  0.0071 -3.5285 3  464.6424316  5951614043935 4 3    3834 4 3      C-13-H3C(O)CH3
  756683.0151  0.0405 -4.1548 3  724.5763840  595161404522923 0    513022 0      C-13-H3C(O)CH3
  756732.7121  0.0183 -4.0174 3  815.8317920  595161404572433 0    562532 0      C-13-H3C(O)CH3
  756732.7123  0.0183 -4.0174 3  815.8317920  595161404572533 0    562432 0      C-13-H3C(O)CH3
  756752.7922  0.0073 -3.5284 3  464.6676316  5951614043935 4 4    3834 4 4      C-13-H3C(O)CH3
  756780.4841  0.0196 -4.0174 3  815.8320920  595161404572433 1    562532 1      C-13-H3C(O)CH3
  756780.4843  0.0196 -4.0174 3  815.8320920  595161404572533 1    562432 1      C-13-H3C(O)CH3
  756781.8142  0.0207 -4.0564 3  502.9873348  595161404432816 4    422715 4      C-13-H3C(O)CH3
  756784.1907  0.0207 -4.0174 3  815.8321920  595161404572433 2    562532 2      C-13-H3C(O)CH3
  756784.1909  0.0207 -4.0174 3  815.8321920  595161404572533 2    562432 2      C-13-H3C(O)CH3
  756821.9845  0.0084 -3.6893 3  503.0112696  595161404432816 0    422715 0      C-13-H3C(O)CH3
  756832.0238  0.0226 -4.3184 3  815.8323460  595161404572433 3    562532 3      C-13-H3C(O)CH3
  756832.0241  0.0226 -4.3184 3  815.8323460  595161404572533 3    562432 3      C-13-H3C(O)CH3
  756832.1206  0.0226 -4.3184 3  815.8323460  595161404572433 4    562532 4      C-13-H3C(O)CH3
  756832.1209  0.0226 -4.3184 3  815.8323460  595161404572533 4    562432 4      C-13-H3C(O)CH3
  756852.7757  0.0130 -4.6668 3  976.2305596  59516140474 569 4    73 568 4      C-13-H3C(O)CH3
  756852.7757  0.0130 -4.4779 3  976.2305596  59516140474 569 4    73 668 4      C-13-H3C(O)CH3
  756852.7757  0.0130 -4.4779 3  976.2305596  59516140474 669 4    73 568 4      C-13-H3C(O)CH3
  756852.7757  0.0130 -4.6668 3  976.2305596  59516140474 669 4    73 668 4      C-13-H3C(O)CH3
  756852.8206  0.0130 -4.2625 3  976.2306596  59516140474 669 3    73 668 3      C-13-H3C(O)CH3
  756852.8206  0.0130 -4.2625 3  976.2306596  59516140474 569 3    73 568 3      C-13-H3C(O)CH3
  756864.4076  0.0232 -3.9626 3  976.2612B92  59516140474 669 1    73 568 1      C-13-H3C(O)CH3
  756864.6348  0.0230 -3.9605 3  976.2610B92  59516140474 669 2    73 668 2      C-13-H3C(O)CH3
  756864.7968  0.0232 -3.9626 3  976.2612B92 -59516140474 569 1    73 668 1      C-13-H3C(O)CH3
  756864.7968  0.0230 -3.9605 3  976.2610B92 -59516140474 569 2    73 568 2      C-13-H3C(O)CH3
  756875.4496  0.0133 -3.9621 3  976.2916B92 -59516140474 569 0    73 568 0      C-13-H3C(O)CH3
  756876.2240  0.0133 -3.9621 3  976.2916B92  59516140474 669 0    73 668 0      C-13-H3C(O)CH3
  756883.3221  0.0085 -3.6991 3  502.9980696  595161404432816 1    422715 1      C-13-H3C(O)CH3
  756922.0556  0.0124 -3.7162 3  502.9985696  595161404432816 2    422715 2      C-13-H3C(O)CH3
  756981.8426  0.0564 -5.5405 3  486.7001340  595161404422914 4    412813 4      C-13-H3C(O)CH3
  757105.6769  0.0143 -4.0489 3  763.3812872  595161404542727 0    532826 0      C-13-H3C(O)CH3
  757133.7707  0.0142 -4.0489 3  763.3804872  595161404542827 0    532726 0      C-13-H3C(O)CH3
  757161.6915  0.0156 -4.0491 3  763.3788872  595161404542727 1    532826 1      C-13-H3C(O)CH3
  757172.1384  0.0173 -4.0491 3  763.3781872  595161404542727 2    532826 2      C-13-H3C(O)CH3
  757174.4935  0.5164 -5.8811 3 1124.7192516  595161404644025 4    634122 4      C-13-H3C(O)CH3
  757191.8972  0.0155 -4.0490 3  763.3780872  595161404542827 1    532726 1      C-13-H3C(O)CH3
  757197.2892  0.0125 -3.9932 3  502.9830348  595161404432816 3    422715 3      C-13-H3C(O)CH3
  757202.4076  0.0169 -4.0490 3  763.3773872  595161404542827 2    532726 2      C-13-H3C(O)CH3
  757224.5577  0.0173 -4.4304 3  936.9886A80  595161404671354 0    661353 0      C-13-H3C(O)CH3
  757224.5577  0.0173 -4.0023 3  936.9886A80  595161404671354 0    661453 0      C-13-H3C(O)CH3
  757224.5577  0.0173 -4.2025 3  936.9886A80  595161404671454 0    661353 0      C-13-H3C(O)CH3
  757228.1573  0.0189 -4.3502 3  763.3757436  595161404542727 3    532826 3      C-13-H3C(O)CH3
  757228.3294  0.0189 -4.3502 3  763.3757436  595161404542727 4    532826 4      C-13-H3C(O)CH3
  757257.7110  0.0258 -5.8744 3  936.9738A80  595161404671454 1    661353 1      C-13-H3C(O)CH3
  757257.7110  0.0258 -4.0064 3  936.9738A80  595161404671354 1    661353 1      C-13-H3C(O)CH3
  757257.7110  0.0258 -5.8744 3  936.9738A80  595161404671354 1    661453 1      C-13-H3C(O)CH3
  757257.7110  0.0258 -4.0064 3  936.9738A80  595161404671454 1    661453 1      C-13-H3C(O)CH3
  757257.9187  0.0254 -4.1193 3  936.9736A80  595161404671354 2    661453 2      C-13-H3C(O)CH3
  757257.9187  0.0254 -4.3703 3  936.9736A80  595161404671454 2    661453 2      C-13-H3C(O)CH3
  757257.9187  0.0254 -4.6218 3  936.9736A80  595161404671354 2    661353 2      C-13-H3C(O)CH3
  757257.9187  0.0254 -4.2423 3  936.9736A80  595161404671454 2    661353 2      C-13-H3C(O)CH3
  757260.7075  0.0186 -4.3502 3  763.3749436  595161404542827 3    532726 3      C-13-H3C(O)CH3
  757260.7750  0.0186 -4.3502 3  763.3749436  595161404542827 4    532726 4      C-13-H3C(O)CH3
  757261.4508  0.0195 -4.0150 3  832.0140936  595161404582335 0    572434 0      C-13-H3C(O)CH3
  757261.4508  0.0195 -4.0150 3  832.0140936  595161404582435 0    572334 0      C-13-H3C(O)CH3
  757291.1058  0.0237 -4.3574 3  936.9587540  595161404671454 3    661453 3      C-13-H3C(O)CH3
  757291.1058  0.0237 -4.3574 3  936.9587540  595161404671354 3    661353 3      C-13-H3C(O)CH3
  757291.1058  0.0237 -5.2201 3  936.9587540  595161404671354 3    661453 3      C-13-H3C(O)CH3
  757291.1058  0.0237 -5.2201 3  936.9587540  595161404671454 3    661353 3      C-13-H3C(O)CH3
  757291.1514  0.0237 -4.3465 3  936.9587540  595161404671454 4    661353 4      C-13-H3C(O)CH3
  757291.1514  0.0237 -4.3465 3  936.9587540  595161404671354 4    661453 4      C-13-H3C(O)CH3
  757291.1514  0.0237 -5.3088 3  936.9587540  595161404671354 4    661353 4      C-13-H3C(O)CH3
  757291.1514  0.0237 -5.3088 3  936.9587540  595161404671454 4    661453 4      C-13-H3C(O)CH3
  757307.7516  0.0208 -4.0150 3  832.0144936  595161404582335 1    572434 1      C-13-H3C(O)CH3
  757307.7516  0.0208 -4.0150 3  832.0144936  595161404582435 1    572334 1      C-13-H3C(O)CH3
  757310.6159  0.0217 -4.0150 3  832.0145936  595161404582435 2    572334 2      C-13-H3C(O)CH3
  757310.6159  0.0217 -4.0150 3  832.0145936  595161404582335 2    572434 2      C-13-H3C(O)CH3
  757346.6191  0.0196 -5.3997 3  243.0730244  5951614043022 9 4    291911 4      C-13-H3C(O)CH3
  757356.9744  0.0237 -4.3160 3  832.0149468  595161404582335 3    572434 3      C-13-H3C(O)CH3
  757356.9744  0.0237 -4.3160 3  832.0149468  595161404582435 3    572334 3      C-13-H3C(O)CH3
  757357.0671  0.0237 -4.3160 3  832.0149468  595161404582335 4    572434 4      C-13-H3C(O)CH3
  757357.0671  0.0237 -4.3160 3  832.0149468  595161404582435 4    572334 4      C-13-H3C(O)CH3
  757449.5475  0.2757 -5.7899 3 1124.7116516  595161404644025 3    634122 3      C-13-H3C(O)CH3
  757607.2360  0.0474 -4.8388 3  486.7019680  595161404422914 2    412813 2      C-13-H3C(O)CH3
  757627.2481  0.0127 -5.1248 3  243.0917488  5951614043022 9 1    291911 1      C-13-H3C(O)CH3
  757646.9147  0.0181 -5.4716 3  243.0742244  5951614043022 9 3    291911 3      C-13-H3C(O)CH3
  757743.2080  0.2685 -5.5201 3 1124.6767A32  595161404644025 1    634122 1      C-13-H3C(O)CH3
  757756.8297  0.3712 -5.5165 3 1124.6743A32  595161404644025 2    634122 2      C-13-H3C(O)CH3
  757941.8112  0.0205 -4.1184 3  847.5923952  595161404592237 0    582236 0      C-13-H3C(O)CH3
  757941.8112  0.0205 -4.6864 3  847.5923952  595161404592337 0    582236 0      C-13-H3C(O)CH3
  757941.8112  0.0205 -4.0897 3  847.5923952  595161404592337 0    582336 0      C-13-H3C(O)CH3
  757941.8112  0.0205 -4.8129 3  847.5923952  595161404592237 0    582336 0      C-13-H3C(O)CH3
  757974.3581  0.0298 -4.4555 3  486.6849680  595161404422914 1    412813 1      C-13-H3C(O)CH3
  757981.1811  0.0044 -3.3011 3  470.0581648 -5951614044033 7 0    3932 8 0      C-13-H3C(O)CH3
  757981.1811  0.0044 -3.3011 3  470.0581648 -5951614044033 8 0    3932 7 0      C-13-H3C(O)CH3
  757986.9331  0.0219 -4.0152 3  847.5925952  595161404592237 1    582336 1      C-13-H3C(O)CH3
  757986.9331  0.0219 -4.0146 3  847.5925952  595161404592337 1    582236 1      C-13-H3C(O)CH3
  757989.2001  0.0226 -5.4654 3  847.5926952  595161404592237 2    582336 2      C-13-H3C(O)CH3
  757989.2001  0.0226 -4.0301 3  847.5926952  595161404592237 2    582236 2      C-13-H3C(O)CH3
  757989.2001  0.0226 -5.4654 3  847.5926952  595161404592337 2    582236 2      C-13-H3C(O)CH3
  757989.2001  0.0226 -4.0301 3  847.5926952  595161404592337 2    582336 2      C-13-H3C(O)CH3
  757993.4099  0.0190 -5.4169 3  243.0742244  5951614043022 8 3    291911 3      C-13-H3C(O)CH3
  758034.0703  0.0104 -4.9300 3  981.8525604  59516140475 471 4    74 470 4      C-13-H3C(O)CH3
  758034.0703  0.0104 -4.3612 3  981.8525604  59516140475 471 4    74 570 4      C-13-H3C(O)CH3
  758034.0703  0.0104 -4.9300 3  981.8525604  59516140475 571 4    74 570 4      C-13-H3C(O)CH3
  758034.0703  0.0104 -4.3612 3  981.8525604  59516140475 571 4    74 470 4      C-13-H3C(O)CH3
  758034.1127  0.0104 -4.2617 3  981.8525604  59516140475 471 3    74 470 3      C-13-H3C(O)CH3
  758034.1127  0.0104 -4.2617 3  981.8525604  59516140475 571 3    74 570 3      C-13-H3C(O)CH3
  758034.3767  0.0247 -4.3333 3  847.5928476  595161404592337 3    582236 3      C-13-H3C(O)CH3
  758034.3767  0.0247 -5.6957 3  847.5928476  595161404592337 3    582336 3      C-13-H3C(O)CH3
  758034.3767  0.0247 -4.3340 3  847.5928476  595161404592237 3    582336 3      C-13-H3C(O)CH3
  758034.3767  0.0247 -5.7115 3  847.5928476  595161404592237 3    582236 3      C-13-H3C(O)CH3
  758034.4657  0.0247 -5.4215 3  847.5928476  595161404592337 4    582336 4      C-13-H3C(O)CH3
  758034.4657  0.0247 -4.3510 3  847.5928476  595161404592237 4    582336 4      C-13-H3C(O)CH3
  758034.4657  0.0247 -5.4215 3  847.5928476  595161404592237 4    582236 4      C-13-H3C(O)CH3
  758034.4657  0.0247 -4.3510 3  847.5928476  595161404592337 4    582236 4      C-13-H3C(O)CH3
  758048.4937  0.0049 -3.3012 3  470.0363648 -5951614044033 8 2    3932 8 2      C-13-H3C(O)CH3
  758052.4350  0.0164 -5.9291 3  981.8786C08  59516140475 571 1    74 570 1      C-13-H3C(O)CH3
  758052.4350  0.0164 -3.9611 3  981.8786C08  59516140475 471 1    74 570 1      C-13-H3C(O)CH3
  758052.5974  0.0165 -4.0356 3  981.8783C08  59516140475 571 2    74 470 2      C-13-H3C(O)CH3
  758052.5974  0.0165 -4.7345 3  981.8783C08  59516140475 471 2    74 470 2      C-13-H3C(O)CH3
  758052.7871  0.0164 -3.9611 3  981.8786C08 -59516140475 571 1    74 470 1      C-13-H3C(O)CH3
  758052.7871  0.0165 -4.7345 3  981.8783C08 -59516140475 571 2    74 570 2      C-13-H3C(O)CH3
  758052.7871  0.0165 -4.0356 3  981.8783C08 -59516140475 471 2    74 570 2      C-13-H3C(O)CH3
  758052.7871  0.0164 -5.9291 3  981.8786C08 -59516140475 471 1    74 470 1      C-13-H3C(O)CH3
  758062.7971  0.0049 -3.3011 3  470.0177648 -5951614044033 8 1    3932 8 1      C-13-H3C(O)CH3
  758070.1673  0.0103 -3.9589 3  981.9043C08 -59516140475 571 0    74 470 0      C-13-H3C(O)CH3
  758070.9135  0.0103 -3.9589 3  981.9043C08  59516140475 471 0    74 570 0      C-13-H3C(O)CH3
  758090.4779  0.0049 -3.3012 3  470.0544648 -5951614044033 7 2    3932 7 2      C-13-H3C(O)CH3
  758110.8235  0.0156 -5.1903 3  243.0925488  5951614043022 9 2    291911 2      C-13-H3C(O)CH3
  758130.9868  0.0067 -3.6022 3  469.9957324  5951614044033 8 4    3932 8 4      C-13-H3C(O)CH3
  758135.5597  0.0067 -3.9806 3  312.2759568  595161404351817 2    341718 2      C-13-H3C(O)CH3
  758138.0698  0.0074 -4.2815 3  312.2531284  595161404351817 3    341718 3      C-13-H3C(O)CH3
  758138.6970  0.0075 -4.2815 3  312.2531284  595161404351817 4    341718 4      C-13-H3C(O)CH3
  758153.3513  0.0050 -3.3010 3  470.0482648 -5951614044033 7 1    3932 7 1      C-13-H3C(O)CH3
  758172.5636  0.0067 -3.6022 3  470.0140324  5951614044033 8 3    3932 8 3      C-13-H3C(O)CH3
  758184.6873  0.0059 -3.9808 3  312.3024568  595161404351817 0    341718 0      C-13-H3C(O)CH3
  758187.1188  0.0064 -3.9806 3  312.2797568  595161404351817 1    341718 1      C-13-H3C(O)CH3
  758203.6988  0.2139 -5.4894 3 1124.6352A32  595161404644025 0    634122 0      C-13-H3C(O)CH3
  758221.2913  0.0067 -3.6020 3  470.0264324  5951614044033 7 3    3932 7 3      C-13-H3C(O)CH3
  758262.3771  0.0071 -3.6020 3  470.0445324  5951614044033 7 4    3932 7 4      C-13-H3C(O)CH3
  758304.4122  0.0128 -5.1614 3  243.0917488  5951614043022 8 1    291911 1      C-13-H3C(O)CH3
  758329.0490  0.0170 -5.6738 3  946.9421A96  595161404681256 0    671255 0      C-13-H3C(O)CH3
  758329.0490  0.0170 -4.0112 3  946.9421A96  595161404681256 0    671355 0      C-13-H3C(O)CH3
  758329.0490  0.0170 -5.6738 3  946.9421A96  595161404681356 0    671355 0      C-13-H3C(O)CH3
  758329.0490  0.0170 -4.0112 3  946.9421A96  595161404681356 0    671255 0      C-13-H3C(O)CH3
  758357.9373  0.0180 -5.7034 3  205.8511220  5951614042723 4 4    2620 6 4      C-13-H3C(O)CH3
  758359.1851  0.0277 -4.7995 3  946.9244A96  595161404681256 1    671355 1      C-13-H3C(O)CH3
  758359.1851  0.0277 -4.0772 3  946.9244A96  595161404681256 1    671255 1      C-13-H3C(O)CH3
  758359.1851  0.0277 -4.7995 3  946.9244A96  595161404681356 1    671255 1      C-13-H3C(O)CH3
  758359.1851  0.0277 -4.0772 3  946.9244A96  595161404681356 1    671355 1      C-13-H3C(O)CH3
  758359.3206  0.0271 -5.2587 3  946.9242A96  595161404681256 2    671355 2      C-13-H3C(O)CH3
  758359.3206  0.0271 -4.0265 3  946.9242A96  595161404681256 2    671255 2      C-13-H3C(O)CH3
  758359.3206  0.0271 -5.2587 3  946.9242A96  595161404681356 2    671255 2      C-13-H3C(O)CH3
  758359.3206  0.0271 -4.0265 3  946.9242A96  595161404681356 2    671355 2      C-13-H3C(O)CH3
  758360.2664  0.0197 -5.4910 3  243.0730244  5951614043022 8 4    291911 4      C-13-H3C(O)CH3
  758389.4869  0.0230 -4.3049 3  946.9065548  595161404681256 3    671255 3      C-13-H3C(O)CH3
  758389.4869  0.0230 -4.3049 3  946.9065548  595161404681356 3    671355 3      C-13-H3C(O)CH3
  758389.5237  0.0230 -5.0124 3  946.9064548  595161404681356 4    671355 4      C-13-H3C(O)CH3
  758389.5237  0.0230 -5.0124 3  946.9064548  595161404681256 4    671255 4      C-13-H3C(O)CH3
  758389.5237  0.0230 -4.3970 3  946.9064548  595161404681256 4    671355 4      C-13-H3C(O)CH3
  758389.5237  0.0230 -4.3970 3  946.9064548  595161404681356 4    671255 4      C-13-H3C(O)CH3
  758397.3036  0.0505 -4.4223 3  486.6784340  595161404422914 3    412813 3      C-13-H3C(O)CH3
  758398.8467  0.0052 -3.5330 3  486.6908680 -595161404422914 0    412813 0      C-13-H3C(O)CH3
  758428.3185  0.0095 -4.8442 3  243.1104488  5951614043022 8 0    291911 0      C-13-H3C(O)CH3
  758442.5372  0.0147 -5.6997 3  205.8173220  5951614042723 5 3    2620 6 3      C-13-H3C(O)CH3
  758446.3717  0.0151 -5.1036 3  243.0925488  5951614043022 8 2    291911 2      C-13-H3C(O)CH3
  758503.6829  0.0089 -4.7210 3  199.4723252  59516140431 923 4    30 724 4      C-13-H3C(O)CH3
  758503.6829  0.0089 -4.7165 3  199.4723252  59516140431 823 4    30 624 4      C-13-H3C(O)CH3
  758504.0534  0.0074 -4.7222 3  199.4723252  59516140431 923 3    30 724 3      C-13-H3C(O)CH3
  758504.0534  0.0074 -4.7230 3  199.4723252  59516140431 823 3    30 624 3      C-13-H3C(O)CH3
  758527.2550  0.0145 -4.0796 3  744.4114856  595161404532825 0    522924 0      C-13-H3C(O)CH3
  758575.4320  0.0156 -4.0799 3  744.4071856  595161404532825 1    522924 1      C-13-H3C(O)CH3
  758590.3138  0.0188 -4.0799 3  744.4057856  595161404532825 2    522924 2      C-13-H3C(O)CH3
  758605.7268  0.0065 -3.9803 3  312.2753568  595161404351917 2    341618 2      C-13-H3C(O)CH3
  758606.5892  0.0072 -4.2811 3  312.2525284  595161404351917 4    341618 4      C-13-H3C(O)CH3
  758606.8165  0.0070 -4.2811 3  312.2525284  595161404351917 3    341618 3      C-13-H3C(O)CH3
  758623.1656  0.0149 -3.7950 3  524.6136712  595161404442817 0    432716 0      C-13-H3C(O)CH3
  758637.5319  0.0199 -4.3812 3  744.4014428  595161404532825 3    522924 3      C-13-H3C(O)CH3
  758638.5083  0.0199 -4.3812 3  744.4014428  595161404532825 4    522924 4      C-13-H3C(O)CH3
  758642.8246  0.0058 -3.9804 3  312.3019568  595161404351917 0    341618 0      C-13-H3C(O)CH3
  758643.7506  0.0062 -3.9803 3  312.2791568  595161404351917 1    341618 1      C-13-H3C(O)CH3
  758728.8092  0.0214 -4.4408 3  862.5819968  595161404602139 0    592138 0      C-13-H3C(O)CH3
  758728.8092  0.0214 -4.2198 3  862.5819968  595161404602239 0    592138 0      C-13-H3C(O)CH3
  758728.8092  0.0214 -4.4408 3  862.5819968  595161404602239 0    592238 0      C-13-H3C(O)CH3
  758728.8092  0.0214 -4.2198 3  862.5819968  595161404602139 0    592238 0      C-13-H3C(O)CH3
  758768.8190  0.0063 -3.5880 3  486.6584680 -595161404422914 1    412814 1      C-13-H3C(O)CH3
  758768.8190  0.0058 -3.5881 3  486.6849680 -595161404422913 1    412813 1      C-13-H3C(O)CH3
  758772.9364  0.0228 -4.2855 3  862.5817968  595161404602239 1    592138 1      C-13-H3C(O)CH3
  758772.9364  0.0228 -4.3496 3  862.5817968  595161404602239 1    592238 1      C-13-H3C(O)CH3
  758772.9364  0.0228 -4.3496 3  862.5817968  595161404602139 1    592138 1      C-13-H3C(O)CH3
  758772.9364  0.0228 -4.2855 3  862.5817968  595161404602139 1    592238 1      C-13-H3C(O)CH3
  758774.7576  0.0234 -4.1652 3  862.5818968  595161404602239 2    592138 2      C-13-H3C(O)CH3
  758774.7576  0.0234 -4.5501 3  862.5818968  595161404602239 2    592238 2      C-13-H3C(O)CH3
  758774.7576  0.0234 -4.1652 3  862.5818968  595161404602139 2    592238 2      C-13-H3C(O)CH3
  758774.7576  0.0234 -4.5501 3  862.5818968  595161404602139 2    592138 2      C-13-H3C(O)CH3
  758788.9193  0.0135 -3.7958 3  524.5979712  595161404442817 1    432716 1      C-13-H3C(O)CH3
  758801.7559  0.0060 -3.5547 3  486.7019680 -595161404422913 2    412813 2      C-13-H3C(O)CH3
  758818.0852  0.0150 -5.7015 3  205.8091220  5951614042723 4 3    2620 7 3      C-13-H3C(O)CH3
  758818.9371  0.0255 -4.3170 3  862.5816484  595161404602139 3    592138 3      C-13-H3C(O)CH3
  758818.9371  0.0255 -5.2643 3  862.5816484  595161404602239 3    592138 3      C-13-H3C(O)CH3
  758818.9371  0.0255 -4.3683 3  862.5816484  595161404602239 3    592238 3      C-13-H3C(O)CH3
  758819.0227  0.0255 -4.6519 3  862.5816484  595161404602239 4    592238 4      C-13-H3C(O)CH3
  758819.0227  0.0255 -4.5854 3  862.5816484  595161404602239 4    592138 4      C-13-H3C(O)CH3
  758819.0227  0.0255 -4.5854 3  862.5816484  595161404602139 4    592238 4      C-13-H3C(O)CH3
  758819.0227  0.0255 -4.6519 3  862.5816484  595161404602139 4    592138 4      C-13-H3C(O)CH3
  758827.8133  0.0060 -3.5542 3  486.6612680 -595161404422914 2    412814 2      C-13-H3C(O)CH3
  758834.9592  0.0090 -3.9632 3  486.6784340  595161404422913 3    412813 3      C-13-H3C(O)CH3
  758847.2538  0.3437 -5.9269 3 1288.2838A96  595161404684523 2    674621 2      C-13-H3C(O)CH3
  758854.0324  0.0141 -5.4022 3  205.8568440  5951614042723 4 1    2620 6 1      C-13-H3C(O)CH3
  758862.1289  0.0063 -4.4287 3  199.4657504  59516140431 923 2    30 724 2      C-13-H3C(O)CH3
  758862.1289  0.0063 -4.4286 3  199.4657504  59516140431 823 2    30 624 2      C-13-H3C(O)CH3
  758862.1289  0.0063 -5.9183 3  199.4657504  59516140431 823 2    30 724 2      C-13-H3C(O)CH3
  758862.1289  0.0063 -5.9148 3  199.4657504  59516140431 923 2    30 624 2      C-13-H3C(O)CH3
  758870.9934  0.0067 -4.4498 3  199.4665504  59516140431 823 1    30 624 1      C-13-H3C(O)CH3
  758870.9934  0.0067 -5.5265 3  199.4665504  59516140431 823 1    30 724 1      C-13-H3C(O)CH3
  758870.9934  0.0067 -5.5278 3  199.4665504  59516140431 923 1    30 624 1      C-13-H3C(O)CH3
  758870.9934  0.0067 -4.4497 3  199.4665504  59516140431 923 1    30 724 1      C-13-H3C(O)CH3
  758878.3348  0.0072 -3.8417 3  486.6368340  595161404422914 4    412814 4      C-13-H3C(O)CH3
  758902.7569  0.0154 -5.6973 3  205.7753220  5951614042723 5 4    2620 7 4      C-13-H3C(O)CH3
  758917.2828  0.3668 -5.9408 3 1288.2886A96  595161404684523 1    674621 1      C-13-H3C(O)CH3
  758943.3353  0.0051 -3.5325 3  486.6782680  595161404422913 0    412814 0      C-13-H3C(O)CH3
  758947.6348  0.0067 -3.8423 3  486.7001340  595161404422913 4    412813 4      C-13-H3C(O)CH3
  758989.9253  0.0197 -3.7972 3  524.5916712  595161404442817 2    432716 2      C-13-H3C(O)CH3
  758990.6777  0.0082 -3.9626 3  486.6586340  595161404422914 3    412814 3      C-13-H3C(O)CH3
  758994.3519  0.3856 -5.8777 3 1288.2361A96  595161404684524 0    674621 0      C-13-H3C(O)CH3
  759022.1453  0.0044 -3.3957 3  477.2794664 -595161404413110 0    403011 0      C-13-H3C(O)CH3
  759022.1453  0.0044 -3.3957 3  477.2794664 -595161404413111 0    403010 0      C-13-H3C(O)CH3
  759063.3996  0.0166 -4.1046 3  524.5769356  595161404442817 4    432716 4      C-13-H3C(O)CH3
  759086.8879  0.0054 -3.3958 3  477.2502664 -595161404413111 1    403011 1      C-13-H3C(O)CH3
  759120.1318  0.0052 -3.3956 3  477.2651664 -595161404413111 2    403011 2      C-13-H3C(O)CH3
  759127.7006  0.0134 -5.4049 3  205.8645440  5951614042723 4 2    2620 6 2      C-13-H3C(O)CH3
  759132.7252  0.0047 -3.3959 3  477.2898664 -595161404413110 2    403010 2      C-13-H3C(O)CH3
  759153.3029  0.3436 -5.9269 3 1288.2638A96  595161404684524 2    674622 2      C-13-H3C(O)CH3
  759166.3082  0.0046 -3.3957 3  477.2728664 -595161404413110 1    403010 1      C-13-H3C(O)CH3
  759180.9226  0.3876 -5.8774 3 1288.2359A96  595161404684523 0    674622 0      C-13-H3C(O)CH3
  759185.5181  0.0069 -3.6967 3  477.2357332  595161404413111 4    403011 4      C-13-H3C(O)CH3
  759198.4320  0.0064 -3.6970 3  477.2605332  595161404413111 3    403010 3      C-13-H3C(O)CH3
  759208.0817  0.0137 -5.4010 3  205.8307440  5951614042723 5 2    2620 7 2      C-13-H3C(O)CH3
  759226.5225  0.0078 -4.2958 3  986.9455612  59516140476 473 4    75 472 4      C-13-H3C(O)CH3
  759226.5225  0.0078 -5.2815 3  986.9455612  59516140476 373 4    75 472 4      C-13-H3C(O)CH3
  759226.5504  0.0078 -4.2531 3  986.9454612  59516140476 473 3    75 472 3      C-13-H3C(O)CH3
  759226.6280  0.0078 -5.2815 3  986.9455612 -59516140476 473 4    75 372 4      C-13-H3C(O)CH3
  759226.6280  0.0078 -4.2531 3  986.9454612 -59516140476 373 3    75 372 3      C-13-H3C(O)CH3
  759226.6280  0.0078 -4.2958 3  986.9455612 -59516140476 373 4    75 372 4      C-13-H3C(O)CH3
  759228.3618  0.0063 -5.3583 3  199.4600504  59516140431 823 0    30 624 0      C-13-H3C(O)CH3
  759228.3618  0.0063 -5.3412 3  199.4600504  59516140431 923 0    30 724 0      C-13-H3C(O)CH3
  759228.3618  0.0063 -4.4690 3  199.4600504  59516140431 923 0    30 624 0      C-13-H3C(O)CH3
  759228.3618  0.0063 -4.4667 3  199.4600504  59516140431 823 0    30 724 0      C-13-H3C(O)CH3
  759242.1681  0.0242 -4.0937 3  524.5751356  595161404442817 3    432716 3      C-13-H3C(O)CH3
  759249.7937  0.0104 -3.9726 3  986.9623C24  59516140476 373 1    75 472 1      C-13-H3C(O)CH3
  759249.7937  0.0104 -3.9674 3  986.9623C24  59516140476 473 1    75 372 1      C-13-H3C(O)CH3
  759249.8376  0.0111 -3.9530 3  986.9620C24  59516140476 473 2    75 472 2      C-13-H3C(O)CH3
  759249.9398  0.0104 -5.2879 3  986.9623C24 -59516140476 473 1    75 472 1      C-13-H3C(O)CH3
  759249.9398  0.0111 -3.9530 3  986.9620C24 -59516140476 373 2    75 372 2      C-13-H3C(O)CH3
  759249.9398  0.0104 -5.4119 3  986.9623C24 -59516140476 373 1    75 372 1      C-13-H3C(O)CH3
  759265.3246  0.0062 -3.6967 3  477.2584332  595161404413110 3    403011 3      C-13-H3C(O)CH3
  759273.0613  0.0078 -5.0710 3  986.9789C24  59516140476 473 0    75 372 0      C-13-H3C(O)CH3
  759273.0613  0.0078 -3.9965 3  986.9789C24  59516140476 473 0    75 472 0      C-13-H3C(O)CH3
  759273.0613  0.0078 -4.9638 3  986.9789C24  59516140476 373 0    75 472 0      C-13-H3C(O)CH3
  759273.0613  0.0078 -3.9864 3  986.9789C24  59516140476 373 0    75 372 0      C-13-H3C(O)CH3
  759277.5422  0.0060 -3.6968 3  477.2832332  595161404413110 4    403010 4      C-13-H3C(O)CH3
  759309.6440  0.0136 -5.4000 3  205.8149440  5951614042723 5 1    2620 7 1      C-13-H3C(O)CH3
  759319.0008  0.0134 -4.0785 3  744.3913856  595161404532925 0    522824 0      C-13-H3C(O)CH3
  759352.1126  0.4073 -5.9407 3 1288.2654A96  595161404684524 1    674622 1      C-13-H3C(O)CH3
  759391.0215  0.0069 -3.9707 3  337.5928584  595161404362116 0    351817 0      C-13-H3C(O)CH3
  759404.5805  0.0141 -4.0787 3  744.3861856  595161404532925 1    522824 1      C-13-H3C(O)CH3
  759410.1139  0.0072 -3.9706 3  337.5646584  595161404362116 2    351817 2      C-13-H3C(O)CH3
  759421.9596  0.0069 -3.9704 3  337.5701584  595161404362116 1    351817 1      C-13-H3C(O)CH3
  759425.2047  0.0140 -4.0787 3  744.3845856  595161404532925 2    522824 2      C-13-H3C(O)CH3
  759428.3333  0.0517 -4.4215 3  486.6586340  595161404422913 3    412814 3      C-13-H3C(O)CH3
  759439.2310  0.0074 -4.2713 3  337.5419292  595161404362116 4    351817 4      C-13-H3C(O)CH3
  759441.5438  0.0073 -4.2713 3  337.5419292  595161404362116 3    351817 3      C-13-H3C(O)CH3
  759447.9488  0.0171 -5.7624 3  956.3549B12  595161404691158 0    681157 0      C-13-H3C(O)CH3
  759447.9488  0.0171 -4.0102 3  956.3549B12  595161404691158 0    681257 0      C-13-H3C(O)CH3
  759447.9488  0.0171 -5.7624 3  956.3549B12  595161404691258 0    681257 0      C-13-H3C(O)CH3
  759447.9488  0.0171 -4.0102 3  956.3549B12  595161404691258 0    681157 0      C-13-H3C(O)CH3
  759467.5991  0.0226 -6.1602 3  185.6005408  5951614042524 1 1    2421 3 1      C-13-H3C(O)CH3
  759474.4009  0.0299 -4.0096 3  956.3341B12  595161404691258 1    681257 1      C-13-H3C(O)CH3
  759474.4009  0.0299 -4.0096 3  956.3341B12  595161404691158 1    681157 1      C-13-H3C(O)CH3
  759474.4009  0.0299 -5.7974 3  956.3341B12  595161404691158 1    681257 1      C-13-H3C(O)CH3
  759474.4009  0.0299 -5.7974 3  956.3341B12  595161404691258 1    681157 1      C-13-H3C(O)CH3
  759474.4972  0.0292 -4.0218 3  956.3339B12  595161404691258 2    681257 2      C-13-H3C(O)CH3
  759474.4972  0.0292 -5.3654 3  956.3339B12  595161404691258 2    681157 2      C-13-H3C(O)CH3
  759474.4972  0.0292 -5.3654 3  956.3339B12  595161404691158 2    681257 2      C-13-H3C(O)CH3
  759474.4972  0.0292 -4.0218 3  956.3339B12  595161404691158 2    681157 2      C-13-H3C(O)CH3
  759500.9759  0.0223 -4.5117 3  956.3131556  595161404691158 3    681157 3      C-13-H3C(O)CH3
  759500.9759  0.0223 -4.7228 3  956.3131556  595161404691158 3    681257 3      C-13-H3C(O)CH3
  759500.9759  0.0223 -4.7228 3  956.3131556  595161404691258 3    681157 3      C-13-H3C(O)CH3
  759500.9759  0.0223 -4.5117 3  956.3131556  595161404691258 3    681257 3      C-13-H3C(O)CH3
  759501.0024  0.0223 -4.5948 3  956.3131556  595161404691258 4    681257 4      C-13-H3C(O)CH3
  759501.0024  0.0223 -4.5948 3  956.3131556  595161404691158 4    681157 4      C-13-H3C(O)CH3
  759501.0024  0.0223 -4.6146 3  956.3131556  595161404691158 4    681257 4      C-13-H3C(O)CH3
  759501.0024  0.0223 -4.6146 3  956.3131556  595161404691258 4    681157 4      C-13-H3C(O)CH3
  759511.3660  0.0149 -4.3800 3  744.3792428  595161404532925 4    522824 4      C-13-H3C(O)CH3
  759512.0400  0.0149 -4.3800 3  744.3792428  595161404532925 3    522824 3      C-13-H3C(O)CH3
  759551.8222  0.0211 -6.1629 3  185.6164408  5951614042524 1 2    2421 3 2      C-13-H3C(O)CH3
  759563.2832  0.0312 -4.4540 3  486.6584680  595161404422913 1    412814 1      C-13-H3C(O)CH3
  759593.3710  0.0219 -4.0642 3  876.9942984  595161404612141 0    602040 0      C-13-H3C(O)CH3
  759593.3710  0.0219 -5.0049 3  876.9942984  595161404612141 0    602140 0      C-13-H3C(O)CH3
  759593.3710  0.0219 -5.0049 3  876.9942984  595161404612041 0    602040 0      C-13-H3C(O)CH3
  759593.3710  0.0219 -4.0642 3  876.9942984  595161404612041 0    602140 0      C-13-H3C(O)CH3
  759616.8310  0.0146 -5.4046 3  205.8703440  5951614042723 5 0    2620 6 0      C-13-H3C(O)CH3
  759627.4062  0.0146 -5.4046 3  205.8699440  5951614042723 4 0    2620 7 0      C-13-H3C(O)CH3
  759636.6081  0.0234 -4.5796 3  876.9933984  595161404612041 1    602140 1      C-13-H3C(O)CH3
  759636.6081  0.0234 -4.1560 3  876.9933984  595161404612141 1    602140 1      C-13-H3C(O)CH3
  759636.6081  0.0234 -4.1560 3  876.9933984  595161404612041 1    602040 1      C-13-H3C(O)CH3
  759636.6081  0.0234 -4.5796 3  876.9933984  595161404612141 1    602040 1      C-13-H3C(O)CH3
  759638.0804  0.0239 -5.0243 3  876.9934984  595161404612041 2    602140 2      C-13-H3C(O)CH3
  759638.0804  0.0239 -4.0620 3  876.9934984  595161404612041 2    602040 2      C-13-H3C(O)CH3
  759638.0804  0.0239 -4.0620 3  876.9934984  595161404612141 2    602140 2      C-13-H3C(O)CH3
  759638.0804  0.0239 -5.0243 3  876.9934984  595161404612141 2    602040 2      C-13-H3C(O)CH3
  759681.3675  0.0262 -4.3447 3  876.9925492  595161404612041 3    602140 3      C-13-H3C(O)CH3
  759681.3675  0.0262 -4.3447 3  876.9925492  595161404612141 3    602040 3      C-13-H3C(O)CH3
  759681.3675  0.0262 -5.5440 3  876.9925492  595161404612041 3    602040 3      C-13-H3C(O)CH3
  759681.3675  0.0262 -5.5440 3  876.9925492  595161404612141 3    602140 3      C-13-H3C(O)CH3
  759681.4496  0.0262 -4.3352 3  876.9924492  595161404612041 4    602040 4      C-13-H3C(O)CH3
  759681.4496  0.0262 -5.7293 3  876.9924492  595161404612041 4    602140 4      C-13-H3C(O)CH3
  759681.4496  0.0262 -4.3352 3  876.9924492  595161404612141 4    602140 4      C-13-H3C(O)CH3
  759681.4496  0.0262 -5.7293 3  876.9924492  595161404612141 4    602040 4      C-13-H3C(O)CH3
  759739.8210  0.0137 -5.1081 3  167.2134244  59516140430 525 4    29 426 4      C-13-H3C(O)CH3
  759739.8210  0.0137 -5.1081 3  167.2134244  59516140430 625 4    29 326 4      C-13-H3C(O)CH3
  759739.8372  0.0119 -5.7964 3  167.2133244  59516140430 525 3    29 326 3      C-13-H3C(O)CH3
  759739.8372  0.0119 -5.1739 3  167.2133244  59516140430 525 3    29 426 3      C-13-H3C(O)CH3
  759739.8372  0.0119 -5.1739 3  167.2133244  59516140430 625 3    29 326 3      C-13-H3C(O)CH3
  759739.8372  0.0119 -5.7964 3  167.2133244  59516140430 625 3    29 426 3      C-13-H3C(O)CH3
  759873.0534  0.0226 -6.1585 3  185.5689408  5951614042524 2 2    2421 4 2      C-13-H3C(O)CH3
  760022.3087  0.0498 -4.8366 3  486.6612680  595161404422913 2    412814 2      C-13-H3C(O)CH3
  760169.2204  0.0224 -6.1583 3  185.5565408  5951614042524 2 1    2421 4 1      C-13-H3C(O)CH3
  760249.9486  0.0236 -6.0907 3  134.3367236  59516140429 227 4    28 028 4      C-13-H3C(O)CH3
  760249.9486  0.0236 -6.0907 3  134.3367236  59516140429 327 4    28 128 4      C-13-H3C(O)CH3
  760296.0834  0.0124 -6.1153 3  167.1816488  59516140430 625 2    29 426 2      C-13-H3C(O)CH3
  760296.0834  0.0124 -6.1153 3  167.1816488  59516140430 525 2    29 326 2      C-13-H3C(O)CH3
  760296.0834  0.0124 -4.7995 3  167.1816488  59516140430 525 2    29 426 2      C-13-H3C(O)CH3
  760296.0834  0.0124 -4.7995 3  167.1816488  59516140430 625 2    29 326 2      C-13-H3C(O)CH3
  760300.9345  0.0131 -5.7556 3  167.1822488  59516140430 625 1    29 326 1      C-13-H3C(O)CH3
  760300.9345  0.0131 -4.8276 3  167.1822488  59516140430 525 1    29 326 1      C-13-H3C(O)CH3
  760300.9345  0.0131 -5.7556 3  167.1822488  59516140430 525 1    29 426 1      C-13-H3C(O)CH3
  760300.9345  0.0131 -4.8276 3  167.1822488  59516140430 625 1    29 426 1      C-13-H3C(O)CH3
  760325.7923  0.0229 -6.1634 3  185.6281408  5951614042524 2 0    2421 3 0      C-13-H3C(O)CH3
  760325.7998  0.0229 -6.1634 3  185.6281408  5951614042524 1 0    2421 4 0      C-13-H3C(O)CH3
  760431.4758  0.0065 -4.2648 3  991.5115620 -59516140477 275 4    76 374 4      C-13-H3C(O)CH3
  760431.4758  0.0065 -4.2914 3  991.5115620 -59516140477 375 3    76 274 3      C-13-H3C(O)CH3
  760431.4758  0.0065 -5.2693 3  991.5115620 -59516140477 275 3    76 274 3      C-13-H3C(O)CH3
  760431.4758  0.0065 -5.6690 3  991.5115620 -59516140477 375 4    76 374 4      C-13-H3C(O)CH3
  760431.4897  0.0065 -5.6690 3  991.5115620  59516140477 275 4    76 274 4      C-13-H3C(O)CH3
  760431.4897  0.0065 -4.2648 3  991.5115620  59516140477 375 4    76 274 4      C-13-H3C(O)CH3
  760431.4920  0.0065 -5.5927 3  991.5115620  59516140477 375 3    76 374 3      C-13-H3C(O)CH3
  760431.4920  0.0065 -4.2681 3  991.5115620  59516140477 275 3    76 374 3      C-13-H3C(O)CH3
  760455.9488  0.0110 -3.9486 3  991.5122C40 -59516140477 275 2    76 274 2      C-13-H3C(O)CH3
  760455.9488  0.0099 -4.7665 3  991.5126C40 -59516140477 275 1    76 374 1      C-13-H3C(O)CH3
  760455.9488  0.0099 -4.0183 3  991.5126C40 -59516140477 275 1    76 274 1      C-13-H3C(O)CH3
  760455.9488  0.0099 -4.0183 3  991.5126C40 -59516140477 375 1    76 374 1      C-13-H3C(O)CH3
  760455.9488  0.0099 -4.7665 3  991.5126C40 -59516140477 375 1    76 274 1      C-13-H3C(O)CH3
  760455.9488  0.0110 -3.9486 3  991.5122C40 -59516140477 375 2    76 374 2      C-13-H3C(O)CH3
  760459.2398  0.0158 -3.9806 3  358.9029600  595161404372116 2    362017 2      C-13-H3C(O)CH3
  760480.2870  0.0073 -4.5585 3  991.5134C40  59516140477 375 0    76 374 0      C-13-H3C(O)CH3
  760480.2870  0.0073 -4.0687 3  991.5134C40  59516140477 275 0    76 374 0      C-13-H3C(O)CH3
  760480.3181  0.0073 -4.3448 3  991.5134C40 -59516140477 275 0    76 274 0      C-13-H3C(O)CH3
  760480.3181  0.0073 -4.1688 3  991.5134C40 -59516140477 375 0    76 274 0      C-13-H3C(O)CH3
  760516.0168  0.0222 -4.8003 3  890.8378A00  595161404622043 0    612042 0      C-13-H3C(O)CH3
  760516.0168  0.0222 -4.8003 3  890.8378A00  595161404621943 0    611942 0      C-13-H3C(O)CH3
  760516.0168  0.0222 -4.0979 3  890.8378A00  595161404621943 0    612042 0      C-13-H3C(O)CH3
  760516.0168  0.0222 -4.0979 3  890.8378A00  595161404622043 0    611942 0      C-13-H3C(O)CH3
  760517.3231  0.0187 -4.2814 3  358.8800300  595161404372116 3    362017 3      C-13-H3C(O)CH3
  760524.8179  0.0173 -4.2813 3  358.8800300  595161404372116 4    362017 4      C-13-H3C(O)CH3
  760554.5106  0.0079 -3.1562 3  468.4116616 -5951614043838 0 0    3737 0 0      C-13-H3C(O)CH3
  760554.5106  0.0079 -3.1562 3  468.4116616 -5951614043838 1 0    3737 1 0      C-13-H3C(O)CH3
  760558.3983  0.0239 -4.3405 3  890.8359A00  595161404621943 1    612042 1      C-13-H3C(O)CH3
  760558.3983  0.0239 -4.3405 3  890.8359A00  595161404622043 1    611942 1      C-13-H3C(O)CH3
  760558.3983  0.0239 -4.3010 3  890.8359A00  595161404621943 1    611942 1      C-13-H3C(O)CH3
  760558.3983  0.0239 -4.3010 3  890.8359A00  595161404622043 1    612042 1      C-13-H3C(O)CH3
  760559.5855  0.0243 -4.5765 3  890.8359A00  595161404622043 2    612042 2      C-13-H3C(O)CH3
  760559.5855  0.0243 -4.1603 3  890.8359A00  595161404621943 2    612042 2      C-13-H3C(O)CH3
  760559.5855  0.0243 -4.5765 3  890.8359A00  595161404621943 2    611942 2      C-13-H3C(O)CH3
  760559.5855  0.0243 -4.1603 3  890.8359A00  595161404622043 2    611942 2      C-13-H3C(O)CH3
  760580.1815  0.0175 -4.0574 3  965.2283B28  595161404701060 0    691059 0      C-13-H3C(O)CH3
  760580.1815  0.0175 -4.0574 3  965.2283B28  595161404701160 0    691159 0      C-13-H3C(O)CH3
  760580.1815  0.0175 -4.9317 3  965.2283B28  595161404701060 0    691159 0      C-13-H3C(O)CH3
  760580.1815  0.0175 -4.9317 3  965.2283B28  595161404701160 0    691059 0      C-13-H3C(O)CH3
  760602.0149  0.0266 -4.4859 3  890.8340500  595161404622043 3    612042 3      C-13-H3C(O)CH3
  760602.0149  0.0266 -4.8192 3  890.8340500  595161404622043 3    611942 3      C-13-H3C(O)CH3
  760602.0149  0.0266 -4.4859 3  890.8340500  595161404621943 3    611942 3      C-13-H3C(O)CH3
  760602.0149  0.0266 -4.8192 3  890.8340500  595161404621943 3    612042 3      C-13-H3C(O)CH3
  760602.0936  0.0266 -4.4834 3  890.8340500  595161404622043 4    612042 4      C-13-H3C(O)CH3
  760602.0936  0.0266 -4.8247 3  890.8340500  595161404622043 4    611942 4      C-13-H3C(O)CH3
  760602.0936  0.0266 -4.8247 3  890.8340500  595161404621943 4    612042 4      C-13-H3C(O)CH3
  760602.0936  0.0266 -4.4834 3  890.8340500  595161404621943 4    611942 4      C-13-H3C(O)CH3
  760602.1945  0.0321 -4.0063 3  965.2044B28  595161404701060 1    691159 1      C-13-H3C(O)CH3
  760602.1945  0.0321 -6.1129 3  965.2044B28  595161404701160 1    691159 1      C-13-H3C(O)CH3
  760602.1945  0.0321 -4.0063 3  965.2044B28  595161404701160 1    691059 1      C-13-H3C(O)CH3
  760602.1945  0.0321 -6.1129 3  965.2044B28  595161404701060 1    691059 1      C-13-H3C(O)CH3
  760602.2838  0.0313 -4.2342 3  965.2043B28  595161404701160 2    691159 2      C-13-H3C(O)CH3
  760602.2838  0.0313 -4.3869 3  965.2043B28  595161404701160 2    691059 2      C-13-H3C(O)CH3
  760602.2838  0.0313 -4.2342 3  965.2043B28  595161404701060 2    691059 2      C-13-H3C(O)CH3
  760602.2838  0.0313 -4.3869 3  965.2043B28  595161404701060 2    691159 2      C-13-H3C(O)CH3
  760623.8548  0.0109 -3.9809 3  358.9312600  595161404372116 0    362017 0      C-13-H3C(O)CH3
  760624.3197  0.0216 -4.3275 3  965.1804564  595161404701060 3    691159 3      C-13-H3C(O)CH3
  760624.3197  0.0216 -5.5790 3  965.1804564  595161404701060 3    691059 3      C-13-H3C(O)CH3
  760624.3197  0.0216 -5.5790 3  965.1804564  595161404701160 3    691159 3      C-13-H3C(O)CH3
  760624.3197  0.0216 -4.3275 3  965.1804564  595161404701160 3    691059 3      C-13-H3C(O)CH3
  760624.3346  0.0216 -4.3083 3  965.1803564  595161404701060 4    691059 4      C-13-H3C(O)CH3
  760624.3346  0.0216 -4.3083 3  965.1803564  595161404701160 4    691159 4      C-13-H3C(O)CH3
  760649.4820  0.4670 -5.3893 3  950.4884476  595161404593623 3    583722 3      C-13-H3C(O)CH3
  760673.1273  0.0083 -3.1559 3  468.3417616 -5951614043838 1 2    3737 1 2      C-13-H3C(O)CH3
  760682.4697  0.0131 -3.9806 3  358.9083600  595161404372116 1    362017 1      C-13-H3C(O)CH3
  760776.0643  0.0085 -3.1558 3  468.3561616 -5951614043838 1 1    3737 1 1      C-13-H3C(O)CH3
  760800.3886  0.0094 -3.1559 3  468.4015616 -5951614043838 0 2    3737 0 2      C-13-H3C(O)CH3
  760819.3224  0.0086 -3.1559 3  468.4327616 -5951614043838 0 1    3737 0 1      C-13-H3C(O)CH3
  760844.1270  0.0599 -5.5370 3  486.6368340  595161404422913 4    412814 4      C-13-H3C(O)CH3
  760855.9769  0.0117 -5.3182 3  167.1505488  59516140430 525 0    29 326 0      C-13-H3C(O)CH3
  760855.9769  0.0117 -5.3182 3  167.1505488  59516140430 625 0    29 426 0      C-13-H3C(O)CH3
  760855.9769  0.0117 -4.9258 3  167.1505488  59516140430 625 0    29 326 0      C-13-H3C(O)CH3
  760855.9769  0.0117 -4.9258 3  167.1505488  59516140430 525 0    29 426 0      C-13-H3C(O)CH3
  760894.1260  0.0119 -3.4566 3  468.2863308  5951614043838 1 4    3737 1 4      C-13-H3C(O)CH3
  760917.0429  0.3935 -5.4099 3  950.4805476  595161404593623 4    583722 4      C-13-H3C(O)CH3
  760937.3962  0.0115 -3.4567 3  468.3628308  5951614043838 0 3    3737 0 3      C-13-H3C(O)CH3
  761021.5123  0.0121 -3.4566 3  468.3460308  5951614043838 1 3    3737 1 3      C-13-H3C(O)CH3
  761050.7186  0.0163 -4.1581 3  344.8125584  595161404362314 1    352015 1      C-13-H3C(O)CH3
  761065.3856  0.0130 -3.4567 3  468.4226308  5951614043838 0 4    3737 0 4      C-13-H3C(O)CH3
  761070.3815  0.0299 -6.1358 3  134.2669472  59516140429 227 2    28 028 2      C-13-H3C(O)CH3
  761070.3815  0.0299 -6.1358 3  134.2669472  59516140429 327 2    28 128 2      C-13-H3C(O)CH3
  761070.3815  0.0299 -5.8911 3  134.2669472  59516140429 327 2    28 028 2      C-13-H3C(O)CH3
  761070.3815  0.0299 -5.8911 3  134.2669472  59516140429 227 2    28 128 2      C-13-H3C(O)CH3
  761071.1867  0.0308 -5.7168 3  134.2673472  59516140429 327 1    28 128 1      C-13-H3C(O)CH3
  761071.1867  0.0308 -5.7168 3  134.2673472  59516140429 227 1    28 028 1      C-13-H3C(O)CH3
  761132.0021  0.0153 -4.1594 3  344.8308584  595161404362314 0    352015 0      C-13-H3C(O)CH3
  761150.2175  0.0077 -5.3206 3  502.9980696  595161404432815 1    422715 1      C-13-H3C(O)CH3
  761292.7355  0.0104 -4.8870 3  502.9985696  595161404432815 2    422715 2      C-13-H3C(O)CH3
  761343.6516  0.0085 -5.9519 3  502.9830348  595161404432815 3    422715 3      C-13-H3C(O)CH3
  761354.6039  0.0164 -4.4610 3  344.7803292  595161404362314 4    352015 4      C-13-H3C(O)CH3
  761372.2617  0.0194 -4.4609 3  344.7800292  595161404362314 3    352015 3      C-13-H3C(O)CH3
  761452.1478  0.0164 -4.1613 3  344.7983584  595161404362314 2    352015 2      C-13-H3C(O)CH3
  761483.3303  0.0222 -4.5197 3  904.1192A16  595161404631845 0    621844 0      C-13-H3C(O)CH3
  761483.3303  0.0222 -4.1880 3  904.1192A16  595161404631845 0    621944 0      C-13-H3C(O)CH3
  761483.3303  0.0222 -4.2448 3  904.1192A16  595161404631945 0    621844 0      C-13-H3C(O)CH3
  761483.3303  0.0222 -4.4182 3  904.1192A16  595161404631945 0    621944 0      C-13-H3C(O)CH3
  761496.3480  0.0142 -4.8269 3  502.9873348  595161404432815 4    422715 4      C-13-H3C(O)CH3
  761524.8219  0.0242 -5.5467 3  904.1161A16  595161404631845 1    621844 1      C-13-H3C(O)CH3
  761524.8219  0.0242 -4.0351 3  904.1161A16  595161404631845 1    621944 1      C-13-H3C(O)CH3
  761524.8219  0.0242 -4.0351 3  904.1161A16  595161404631945 1    621844 1      C-13-H3C(O)CH3
  761524.8219  0.0242 -5.5467 3  904.1161A16  595161404631945 1    621944 1      C-13-H3C(O)CH3
  761525.7681  0.0245 -5.2124 3  904.1161A16  595161404631945 2    621844 2      C-13-H3C(O)CH3
  761525.7681  0.0245 -4.0508 3  904.1161A16  595161404631945 2    621944 2      C-13-H3C(O)CH3
  761525.7681  0.0245 -5.2124 3  904.1161A16  595161404631845 2    621944 2      C-13-H3C(O)CH3
  761525.7681  0.0245 -4.0508 3  904.1161A16  595161404631845 2    621844 2      C-13-H3C(O)CH3
  761567.3056  0.0269 -4.8943 3  904.1130508  595161404631945 3    621844 3      C-13-H3C(O)CH3
  761567.3056  0.0269 -4.4585 3  904.1130508  595161404631945 3    621944 3      C-13-H3C(O)CH3
  761567.3056  0.0269 -4.8943 3  904.1130508  595161404631845 3    621944 3      C-13-H3C(O)CH3
  761567.3056  0.0269 -4.4585 3  904.1130508  595161404631845 3    621844 3      C-13-H3C(O)CH3
  761567.3805  0.0269 -5.5784 3  904.1129508  595161404631945 4    621944 4      C-13-H3C(O)CH3
  761567.3805  0.0269 -5.5784 3  904.1129508  595161404631845 4    621844 4      C-13-H3C(O)CH3
  761567.3805  0.0269 -4.3477 3  904.1129508  595161404631845 4    621944 4      C-13-H3C(O)CH3
  761567.3805  0.0269 -4.3477 3  904.1129508  595161404631945 4    621844 4      C-13-H3C(O)CH3
  761651.0102  0.0075 -4.4788 3  995.5533628  59516140478 277 3    77 176 3      C-13-H3C(O)CH3
  761651.0102  0.0075 -4.6188 3  995.5533628  59516140478 177 3    77 176 3      C-13-H3C(O)CH3
  761651.0291  0.0075 -6.0862 3  995.5533628  59516140478 177 4    77 276 4      C-13-H3C(O)CH3
  761651.0291  0.0075 -6.0862 3  995.5533628  59516140478 277 4    77 176 4      C-13-H3C(O)CH3
  761651.0683  0.0075 -4.6188 3  995.5533628 -59516140478 277 3    77 276 3      C-13-H3C(O)CH3
  761651.0683  0.0075 -4.2484 3  995.5533628 -59516140478 277 4    77 276 4      C-13-H3C(O)CH3
  761651.0683  0.0075 -4.2484 3  995.5533628 -59516140478 177 4    77 176 4      C-13-H3C(O)CH3
  761651.0683  0.0075 -4.4788 3  995.5533628 -59516140478 177 3    77 276 3      C-13-H3C(O)CH3
  761661.5286  0.0188 -4.3356 3  327.1007568  595161404352313 1    342014 1      C-13-H3C(O)CH3
  761669.9568  0.0123 -4.0721 3  995.5289C56  59516140478 277 2    77 276 2      C-13-H3C(O)CH3
  761669.9568  0.0123 -4.5252 3  995.5289C56  59516140478 177 2    77 276 2      C-13-H3C(O)CH3
  761669.9580  0.0106 -4.8451 3  995.5293C56 -59516140478 177 1    77 176 1      C-13-H3C(O)CH3
  761669.9580  0.0123 -4.0721 3  995.5289C56 -59516140478 177 2    77 176 2      C-13-H3C(O)CH3
  761669.9580  0.0106 -3.9989 3  995.5293C56 -59516140478 277 1    77 176 1      C-13-H3C(O)CH3
  761669.9580  0.0123 -4.5252 3  995.5289C56 -59516140478 277 2    77 176 2      C-13-H3C(O)CH3
  761670.0824  0.0106 -3.9812 3  995.5293C56  59516140478 177 1    77 276 1      C-13-H3C(O)CH3
  761670.0824  0.0106 -4.9944 3  995.5293C56  59516140478 277 1    77 276 1      C-13-H3C(O)CH3
  761688.9908  0.0076 -3.9410 3  995.5049C56 -59516140478 277 0    77 176 0      C-13-H3C(O)CH3
  761688.9908  0.0076 -3.9410 3  995.5049C56 -59516140478 177 0    77 276 0      C-13-H3C(O)CH3
  761725.2585  0.0181 -4.0776 3  973.5636B44 -59516140471 962 0    701061 0      C-13-H3C(O)CH3
  761725.2585  0.0181 -4.0776 3  973.5636B44 -595161404711062 0    70 961 0      C-13-H3C(O)CH3
  761725.2585  0.0181 -4.8030 3  973.5636B44 -595161404711062 0    701061 0      C-13-H3C(O)CH3
  761725.2585  0.0181 -4.8030 3  973.5636B44 -59516140471 962 0    70 961 0      C-13-H3C(O)CH3
  761741.7212  0.0339 -4.0341 3  973.5368B44  59516140471 962 1    70 961 1      C-13-H3C(O)CH3
  761741.7212  0.0339 -4.0341 3  973.5368B44  595161404711062 1    701061 1      C-13-H3C(O)CH3
  761741.7212  0.0339 -5.1583 3  973.5368B44  59516140471 962 1    701061 1      C-13-H3C(O)CH3
  761741.7212  0.0339 -5.1583 3  973.5368B44  595161404711062 1    70 961 1      C-13-H3C(O)CH3
  761741.8313  0.0330 -4.0027 3  973.5366B44  595161404711062 2    70 961 2      C-13-H3C(O)CH3
  761741.8313  0.0330 -4.0028 3  973.5366B44  59516140471 962 2    701061 2      C-13-H3C(O)CH3
  761758.6079  0.0207 -4.7822 3  973.5097572  59516140471 962 3    70 961 3      C-13-H3C(O)CH3
  761758.6079  0.0207 -4.4790 3  973.5097572  59516140471 962 3    701061 3      C-13-H3C(O)CH3
  761758.6079  0.0207 -4.7822 3  973.5097572  595161404711062 3    701061 3      C-13-H3C(O)CH3
  761758.6079  0.0207 -4.4790 3  973.5097572  595161404711062 3    70 961 3      C-13-H3C(O)CH3
  761758.6098  0.0207 -5.6355 3  973.5097572  595161404711062 4    701061 4      C-13-H3C(O)CH3
  761758.6098  0.0207 -5.6355 3  973.5097572  59516140471 962 4    70 961 4      C-13-H3C(O)CH3
  761758.6098  0.0207 -4.3243 3  973.5097572  59516140471 962 4    701061 4      C-13-H3C(O)CH3
  761758.6098  0.0207 -4.3243 3  973.5097572  595161404711062 4    70 961 4      C-13-H3C(O)CH3
  761830.0873  0.4612 -5.0926 3  950.4596952  595161404593623 2    583722 2      C-13-H3C(O)CH3
  761831.3173  0.3164 -5.0916 3  950.4590952  595161404593623 1    583722 1      C-13-H3C(O)CH3
  761890.5669  0.0289 -5.6968 3  134.1977472  59516140429 227 0    28 128 0      C-13-H3C(O)CH3
  761890.5669  0.0289 -5.6968 3  134.1977472  59516140429 327 0    28 028 0      C-13-H3C(O)CH3
  761891.8561  0.0173 -4.3377 3  327.1154568  595161404352313 0    342014 0      C-13-H3C(O)CH3
  761992.1951  0.0215 -4.6396 3  327.0690284  595161404352313 4    342014 4      C-13-H3C(O)CH3
  761996.7607  0.0230 -4.6401 3  327.0689284  595161404352313 3    342014 3      C-13-H3C(O)CH3
  762234.0315  0.0192 -4.3410 3  327.0836568  595161404352313 2    342014 2      C-13-H3C(O)CH3
  762376.3598  0.0466 -4.0570 3  620.6962776  595161404482920 0    472819 0      C-13-H3C(O)CH3
  762458.3958  0.0050 -3.2121 3  471.6053632 -5951614043936 4 0    3835 4 0      C-13-H3C(O)CH3
  762458.3958  0.0050 -3.2121 3  471.6053632 -5951614043936 3 0    3835 3 0      C-13-H3C(O)CH3
  762485.8743  0.0218 -4.3849 3  916.8438A32  595161404641847 0    631846 0      C-13-H3C(O)CH3
  762485.8743  0.0218 -4.2716 3  916.8438A32  595161404641847 0    631746 0      C-13-H3C(O)CH3
  762485.8743  0.0218 -4.2735 3  916.8438A32  595161404641747 0    631846 0      C-13-H3C(O)CH3
  762485.8743  0.0218 -4.3873 3  916.8438A32  595161404641747 0    631746 0      C-13-H3C(O)CH3
  762526.3693  0.0244 -4.6528 3  916.8391A32  595161404641747 1    631846 1      C-13-H3C(O)CH3
  762526.3693  0.0244 -4.1564 3  916.8391A32  595161404641747 1    631746 1      C-13-H3C(O)CH3
  762526.3693  0.0244 -4.1412 3  916.8391A32  595161404641847 1    631846 1      C-13-H3C(O)CH3
  762526.3693  0.0244 -4.6067 3  916.8391A32  595161404641847 1    631746 1      C-13-H3C(O)CH3
  762527.1069  0.0245 -4.6242 3  916.8391A32  595161404641847 2    631846 2      C-13-H3C(O)CH3
  762527.1069  0.0245 -4.6242 3  916.8391A32  595161404641747 2    631746 2      C-13-H3C(O)CH3
  762528.5861  0.0245 -4.1504 3  916.8391A32 -595161404641747 2    631846 2      C-13-H3C(O)CH3
  762528.5861  0.0245 -4.1504 3  916.8391A32 -595161404641847 2    631746 2      C-13-H3C(O)CH3
  762528.5861  0.0051 -3.2120 3  471.5576632 -5951614043936 4 2    3835 4 2      C-13-H3C(O)CH3
  762567.6457  0.0269 -5.2825 3  916.8344516  595161404641747 3    631846 3      C-13-H3C(O)CH3
  762567.6457  0.0269 -4.3764 3  916.8344516  595161404641747 3    631746 3      C-13-H3C(O)CH3
  762567.6457  0.0269 -4.3764 3  916.8344516  595161404641847 3    631846 3      C-13-H3C(O)CH3
  762567.6457  0.0269 -5.2825 3  916.8344516  595161404641847 3    631746 3      C-13-H3C(O)CH3
  762567.7165  0.0269 -4.9035 3  916.8344516  595161404641847 4    631746 4      C-13-H3C(O)CH3
  762567.7165  0.0269 -6.0836 3  916.8344516  595161404641847 4    631846 4      C-13-H3C(O)CH3
  762567.7165  0.0269 -4.4589 3  916.8344516  595161404641747 4    631746 4      C-13-H3C(O)CH3
  762567.7165  0.0269 -4.3333 3  916.8344516  595161404641747 4    631846 4      C-13-H3C(O)CH3
  762575.7409  0.0062 -4.4146 3  256.2947268  595161404331320 4    321221 4      C-13-H3C(O)CH3
  762575.7664  0.0062 -4.4146 3  256.2947268  595161404331420 4    321121 4      C-13-H3C(O)CH3
  762576.1100  0.0055 -4.4146 3  256.2947268  595161404331320 3    321221 3      C-13-H3C(O)CH3
  762576.1357  0.0055 -4.4146 3  256.2947268  595161404331420 3    321121 3      C-13-H3C(O)CH3
  762606.3646  0.0053 -3.2119 3  471.5518632 -5951614043936 4 1    3835 4 1      C-13-H3C(O)CH3
  762624.3561  0.0054 -3.2119 3  471.5899632 -5951614043936 3 2    3835 3 2      C-13-H3C(O)CH3
  762676.7337  0.0078 -3.5128 3  471.5042316  5951614043936 4 4    3835 4 4      C-13-H3C(O)CH3
  762685.0523  0.0053 -3.2119 3  471.6067632 -5951614043936 3 1    3835 3 1      C-13-H3C(O)CH3
  762709.7797  0.0053 -4.1135 3  256.3108536  595161404331320 2    321221 2      C-13-H3C(O)CH3
  762709.8052  0.0053 -4.1135 3  256.3108536  595161404331420 2    321121 2      C-13-H3C(O)CH3
  762721.2927  0.5735 -5.9910 3 1162.6549524  595161404654125 4    644222 4      C-13-H3C(O)CH3
  762726.9389  0.0054 -4.1135 3  256.3126536  595161404331320 1    321221 1      C-13-H3C(O)CH3
  762726.9630  0.0054 -4.1135 3  256.3126536  595161404331420 1    321121 1      C-13-H3C(O)CH3
  762754.8096  0.0073 -3.5128 3  471.5590316  5951614043936 3 3    3835 3 3      C-13-H3C(O)CH3
  762771.7904  0.0076 -3.5127 3  471.5365316  5951614043936 4 3    3835 4 3      C-13-H3C(O)CH3
  762831.5064  0.0385 -4.0563 3  620.6730776  595161404482920 1    472819 1      C-13-H3C(O)CH3
  762850.3273  0.0075 -3.5127 3  471.5913316  5951614043936 3 4    3835 3 4      C-13-H3C(O)CH3
  762860.3909  0.0051 -4.1133 3  256.3288536  595161404331320 0    321221 0      C-13-H3C(O)CH3
  762860.4148  0.0051 -4.1133 3  256.3288536  595161404331420 0    321121 0      C-13-H3C(O)CH3
  762881.5388  0.0184 -4.0042 3  981.3618B60 -59516140472 864 0    71 863 0      C-13-H3C(O)CH3
  762881.5388  0.0184 -4.0042 3  981.3618B60 -59516140472 964 0    71 963 0      C-13-H3C(O)CH3
  762884.1140  0.3432 -5.0853 3  950.4344952  595161404593623 0    583722 0      C-13-H3C(O)CH3
  762888.1387  0.0125 -4.6261 3  999.0743636  59516140479 179 4    78 078 4      C-13-H3C(O)CH3
  762888.1387  0.0125 -4.3856 3  999.0743636  59516140479 079 4    78 078 4      C-13-H3C(O)CH3
  762888.1582  0.0125 -4.7230 3  999.0743636  59516140479 079 3    78 078 3      C-13-H3C(O)CH3
  762888.1582  0.0125 -4.7230 3  999.0743636  59516140479 179 3    78 178 3      C-13-H3C(O)CH3
  762888.1681  0.0125 -4.7698 3  999.0743636 -59516140479 079 4    78 178 4      C-13-H3C(O)CH3
  762888.1681  0.0125 -4.4623 3  999.0743636 -59516140479 179 4    78 178 4      C-13-H3C(O)CH3
  762888.1681  0.0125 -4.4065 3  999.0743636 -59516140479 179 3    78 078 3      C-13-H3C(O)CH3
  762888.1681  0.0125 -4.4065 3  999.0743636 -59516140479 079 3    78 178 3      C-13-H3C(O)CH3
  762890.8620  0.0186 -3.9344 3  999.0117C72  59516140479 079 1    78 078 1      C-13-H3C(O)CH3
  762890.9231  0.0221 -3.9348 3  999.0115C72 -59516140479 179 2    78 178 2      C-13-H3C(O)CH3
  762890.9231  0.0221 -3.9348 3  999.0115C72 -59516140479 079 2    78 078 2      C-13-H3C(O)CH3
  762890.9231  0.0186 -3.9344 3  999.0117C72 -59516140479 179 1    78 178 1      C-13-H3C(O)CH3
  762892.3743  0.0346 -4.0890 3  981.3323B60  59516140472 864 1    71 863 1      C-13-H3C(O)CH3
  762892.3743  0.0346 -4.7422 3  981.3323B60  59516140472 864 1    71 963 1      C-13-H3C(O)CH3
  762892.3743  0.0346 -4.7422 3  981.3323B60  59516140472 964 1    71 863 1      C-13-H3C(O)CH3
  762892.3743  0.0346 -4.0890 3  981.3323B60  59516140472 964 1    71 963 1      C-13-H3C(O)CH3
  762892.5246  0.0338 -4.0202 3  981.3322B60  59516140472 864 2    71 863 2      C-13-H3C(O)CH3
  762892.5246  0.0338 -5.3850 3  981.3322B60  59516140472 964 2    71 863 2      C-13-H3C(O)CH3
  762892.5246  0.0338 -4.0202 3  981.3322B60  59516140472 964 2    71 963 2      C-13-H3C(O)CH3
  762892.5246  0.0338 -5.3850 3  981.3322B60  59516140472 864 2    71 963 2      C-13-H3C(O)CH3
  762893.7400  0.0142 -4.9087 3  998.9490C72  59516140479 179 0    78 178 0      C-13-H3C(O)CH3
  762893.7400  0.0142 -4.8969 3  998.9490C72  59516140479 079 0    78 078 0      C-13-H3C(O)CH3
  762893.9174  0.0142 -3.9829 3  998.9490C72 -59516140479 079 0    78 178 0      C-13-H3C(O)CH3
  762893.9174  0.0142 -3.9844 3  998.9490C72 -59516140479 179 0    78 078 0      C-13-H3C(O)CH3
  762903.2021  0.0196 -5.2809 3  981.3025580  59516140472 964 4    71 863 4      C-13-H3C(O)CH3
  762903.2021  0.0196 -4.3511 3  981.3025580  59516140472 964 4    71 963 4      C-13-H3C(O)CH3
  762903.2021  0.0196 -5.2809 3  981.3025580  59516140472 864 4    71 963 4      C-13-H3C(O)CH3
  762903.2021  0.0196 -4.3511 3  981.3025580  59516140472 864 4    71 863 4      C-13-H3C(O)CH3
  762903.2140  0.0196 -4.4701 3  981.3026580  59516140472 864 3    71 863 3      C-13-H3C(O)CH3
  762903.2140  0.0196 -4.7982 3  981.3026580  59516140472 964 3    71 863 3      C-13-H3C(O)CH3
  762903.2140  0.0196 -4.7982 3  981.3026580  59516140472 864 3    71 963 3      C-13-H3C(O)CH3
  762903.2140  0.0196 -4.4701 3  981.3026580  59516140472 964 3    71 963 3      C-13-H3C(O)CH3
  762935.5719  0.2930 -5.8633 3 1162.6497524  595161404654125 3    644222 3      C-13-H3C(O)CH3
  763134.1285  0.0697 -4.0559 3  620.6604776  595161404482920 2    472819 2      C-13-H3C(O)CH3
  763209.9716  0.3140 -5.6104 3 1162.6123A48  595161404654125 1    644222 1      C-13-H3C(O)CH3
  763212.7160  0.4076 -5.6024 3 1162.6090A48  595161404654125 2    644222 2      C-13-H3C(O)CH3
  763516.9047  0.0212 -4.0284 3  929.0157A48  595161404651749 0    641748 0      C-13-H3C(O)CH3
  763516.9047  0.0212 -4.0284 3  929.0157A48  595161404651649 0    641648 0      C-13-H3C(O)CH3
  763556.2173  0.0246 -4.0934 3  929.0092A48  595161404651749 1    641748 1      C-13-H3C(O)CH3
  763556.2173  0.0246 -4.1128 3  929.0092A48  595161404651649 1    641648 1      C-13-H3C(O)CH3
  763556.2173  0.0246 -4.7751 3  929.0092A48  595161404651649 1    641748 1      C-13-H3C(O)CH3
  763556.2173  0.0246 -4.8777 3  929.0092A48  595161404651749 1    641648 1      C-13-H3C(O)CH3
  763556.7732  0.0246 -4.6261 3  929.0091A48  595161404651649 2    641648 2      C-13-H3C(O)CH3
  763556.7732  0.0246 -4.6261 3  929.0091A48  595161404651749 2    641748 2      C-13-H3C(O)CH3
  763556.7732  0.0246 -4.1533 3  929.0091A48  595161404651749 2    641648 2      C-13-H3C(O)CH3
  763556.7732  0.0246 -4.1533 3  929.0091A48  595161404651649 2    641748 2      C-13-H3C(O)CH3
  763569.5217  0.0632 -4.3564 3  620.6375388  595161404482920 4    472819 4      C-13-H3C(O)CH3
  763596.1272  0.0267 -5.3965 3  929.0026524  595161404651649 3    641748 3      C-13-H3C(O)CH3
  763596.1272  0.0267 -4.3671 3  929.0026524  595161404651649 3    641648 3      C-13-H3C(O)CH3
  763596.1272  0.0267 -4.3671 3  929.0026524  595161404651749 3    641748 3      C-13-H3C(O)CH3
  763596.1272  0.0267 -5.3965 3  929.0026524  595161404651749 3    641648 3      C-13-H3C(O)CH3
  763596.1934  0.0268 -4.5825 3  929.0026524  595161404651649 4    641648 4      C-13-H3C(O)CH3
  763596.1934  0.0268 -4.6818 3  929.0026524  595161404651649 4    641748 4      C-13-H3C(O)CH3
  763596.1934  0.0268 -4.6818 3  929.0026524  595161404651749 4    641648 4      C-13-H3C(O)CH3
  763596.1934  0.0268 -4.5825 3  929.0026524  595161404651749 4    641748 4      C-13-H3C(O)CH3
  763604.9256  0.0660 -4.3560 3  620.6370388  595161404482920 3    472819 3      C-13-H3C(O)CH3
  763609.8120  0.2524 -5.5623 3 1162.5686A48  595161404654125 0    644222 0      C-13-H3C(O)CH3
  764049.8840  0.0182 -4.0074 3  988.6235B76  59516140473 866 0    72 865 0      C-13-H3C(O)CH3
  764049.8840  0.0182 -5.8059 3  988.6235B76  59516140473 866 0    72 765 0      C-13-H3C(O)CH3
  764049.8840  0.0182 -5.8059 3  988.6235B76  59516140473 766 0    72 865 0      C-13-H3C(O)CH3
  764049.8840  0.0182 -4.0074 3  988.6235B76  59516140473 766 0    72 765 0      C-13-H3C(O)CH3
  764053.7204  0.0337 -4.2708 3  988.5920B76  59516140473 866 1    72 865 1      C-13-H3C(O)CH3
  764053.7204  0.0337 -4.3346 3  988.5920B76  59516140473 866 1    72 765 1      C-13-H3C(O)CH3
  764053.7204  0.0337 -4.3346 3  988.5920B76  59516140473 766 1    72 865 1      C-13-H3C(O)CH3
  764053.7204  0.0337 -4.2708 3  988.5920B76  59516140473 766 1    72 765 1      C-13-H3C(O)CH3
  764053.9160  0.0330 -4.2292 3  988.5919B76  59516140473 766 2    72 865 2      C-13-H3C(O)CH3
  764053.9160  0.0330 -4.3883 3  988.5919B76  59516140473 766 2    72 765 2      C-13-H3C(O)CH3
  764053.9160  0.0330 -4.3883 3  988.5919B76  59516140473 866 2    72 865 2      C-13-H3C(O)CH3
  764053.9160  0.0330 -4.2292 3  988.5919B76  59516140473 866 2    72 765 2      C-13-H3C(O)CH3
  764057.7388  0.0183 -5.1829 3  988.5604588  59516140473 766 4    72 865 4      C-13-H3C(O)CH3
  764057.7388  0.0183 -4.4523 3  988.5604588  59516140473 866 4    72 865 4      C-13-H3C(O)CH3
  764057.7388  0.0183 -4.8340 3  988.5604588  59516140473 866 4    72 765 4      C-13-H3C(O)CH3
  764057.7388  0.0183 -4.3626 3  988.5604588  59516140473 766 4    72 765 4      C-13-H3C(O)CH3
  764057.7643  0.0183 -4.5663 3  988.5604588  59516140473 766 3    72 765 3      C-13-H3C(O)CH3
  764057.7643  0.0183 -4.6420 3  988.5604588  59516140473 766 3    72 865 3      C-13-H3C(O)CH3
  764057.7643  0.0183 -4.5663 3  988.5604588  59516140473 866 3    72 865 3      C-13-H3C(O)CH3
  764057.7643  0.0183 -4.6420 3  988.5604588  59516140473 866 3    72 765 3      C-13-H3C(O)CH3
  764074.7838  0.3752 -5.9674 3 1329.1903B12  595161404694623 2    684721 2      C-13-H3C(O)CH3
  764160.2177  0.0046 -3.2798 3  476.4216648 -5951614044034 6 0    3933 7 0      C-13-H3C(O)CH3
  764160.2177  0.0046 -3.2798 3  476.4216648 -5951614044034 7 0    3933 6 0      C-13-H3C(O)CH3
  764164.7847  0.3993 -5.9671 3 1329.1958B12  595161404694623 1    684721 1      C-13-H3C(O)CH3
  764225.4042  0.0050 -3.2798 3  476.3951648 -5951614044034 7 2    3933 7 2      C-13-H3C(O)CH3
  764248.8270  0.4177 -5.9632 3 1329.1430B12  595161404694624 0    684721 0      C-13-H3C(O)CH3
  764258.7543  0.0050 -3.2797 3  476.3780648 -5951614044034 7 1    3933 7 1      C-13-H3C(O)CH3
  764276.2942  0.0051 -3.2797 3  476.4146648 -5951614044034 6 2    3933 6 2      C-13-H3C(O)CH3
  764324.7138  0.0069 -3.5807 3  476.3514324  5951614044034 7 4    3933 7 4      C-13-H3C(O)CH3
  764333.9534  0.4188 -5.9631 3 1329.1430B12  595161404694623 0    684722 0      C-13-H3C(O)CH3
  764344.1513  0.0052 -3.2795 3  476.4142648 -5951614044034 6 1    3933 6 1      C-13-H3C(O)CH3
  764375.0153  0.0071 -3.5807 3  476.3710324  5951614044034 7 3    3933 7 3      C-13-H3C(O)CH3
  764409.5410  0.0070 -3.5806 3  476.3878324  5951614044034 6 3    3933 6 3      C-13-H3C(O)CH3
  764418.4782  0.3565 -5.9673 3 1329.1647B12  595161404694624 2    684722 2      C-13-H3C(O)CH3
  764459.6295  0.0074 -3.5806 3  476.4072324  5951614044034 6 4    3933 6 4      C-13-H3C(O)CH3
  764571.5482  0.0204 -4.0302 3  940.6383A64  595161404661551 0    651650 0      C-13-H3C(O)CH3
  764571.5482  0.0204 -4.0302 3  940.6383A64  595161404661651 0    651550 0      C-13-H3C(O)CH3
  764600.1930  0.2141 -5.7986 3 1183.2844A64  595161404663928 0    654025 0      C-13-H3C(O)CH3
  764609.4054  0.0251 -4.5948 3  940.6297A64  595161404661651 1    651550 1      C-13-H3C(O)CH3
  764609.4054  0.0251 -4.1680 3  940.6297A64  595161404661651 1    651650 1      C-13-H3C(O)CH3
  764609.4054  0.0251 -4.1680 3  940.6297A64  595161404661551 1    651550 1      C-13-H3C(O)CH3
  764609.4054  0.0251 -4.5948 3  940.6297A64  595161404661551 1    651650 1      C-13-H3C(O)CH3
  764609.8047  0.0249 -5.0350 3  940.6296A64  595161404661651 2    651550 2      C-13-H3C(O)CH3
  764609.8047  0.0249 -4.0751 3  940.6296A64  595161404661551 2    651550 2      C-13-H3C(O)CH3
  764609.8047  0.0249 -5.0350 3  940.6296A64  595161404661551 2    651650 2      C-13-H3C(O)CH3
  764609.8047  0.0249 -4.0751 3  940.6296A64  595161404661651 2    651650 2      C-13-H3C(O)CH3
  764633.2187  0.4189 -5.9669 3 1329.1660B12  595161404694624 1    684722 1      C-13-H3C(O)CH3
  764647.7010  0.0264 -4.6075 3  940.6210532  595161404661651 3    651650 3      C-13-H3C(O)CH3
  764647.7010  0.0264 -4.6577 3  940.6210532  595161404661651 3    651550 3      C-13-H3C(O)CH3
  764647.7010  0.0264 -4.6075 3  940.6210532  595161404661551 3    651550 3      C-13-H3C(O)CH3
  764647.7010  0.0264 -4.6577 3  940.6210532  595161404661551 3    651650 3      C-13-H3C(O)CH3
  764647.7619  0.0264 -5.6532 3  940.6209532  595161404661651 4    651550 4      C-13-H3C(O)CH3
  764647.7619  0.0264 -4.3521 3  940.6209532  595161404661551 4    651550 4      C-13-H3C(O)CH3
  764647.7619  0.0264 -5.6532 3  940.6209532  595161404661551 4    651650 4      C-13-H3C(O)CH3
  764647.7619  0.0264 -4.3521 3  940.6209532  595161404661651 4    651650 4      C-13-H3C(O)CH3
  764838.5190  0.2459 -5.7941 3 1183.2895A64  595161404663928 2    654025 2      C-13-H3C(O)CH3
  764871.9389  0.2004 -5.7926 3 1183.2860A64  595161404663928 1    654025 1      C-13-H3C(O)CH3
  764919.2371  0.0060 -5.3178 3  502.7300696  595161404432816 1    422716 1      C-13-H3C(O)CH3
  764946.2498  0.0068 -4.8835 3  502.7309696  595161404432816 2    422716 2      C-13-H3C(O)CH3
  764949.7580  0.0091 -4.8239 3  502.7149348  595161404432816 4    422716 4      C-13-H3C(O)CH3
  765088.4537  0.2238 -6.0894 3 1183.2918532  595161404663928 4    654025 4      C-13-H3C(O)CH3
  765100.2553  0.0061 -5.9473 3  502.7194348  595161404432816 3    422716 3      C-13-H3C(O)CH3
  765115.3828  0.2465 -6.0889 3 1183.2910532  595161404663928 3    654025 3      C-13-H3C(O)CH3
  765222.0951  0.0164 -4.5575 3  995.2845596  59516140474 768 4    73 767 4      C-13-H3C(O)CH3
  765222.0951  0.0164 -4.6481 3  995.2845596  59516140474 768 4    73 667 4      C-13-H3C(O)CH3
  765222.0951  0.0164 -4.6481 3  995.2845596  59516140474 668 4    73 767 4      C-13-H3C(O)CH3
  765222.0951  0.0164 -4.5575 3  995.2845596  59516140474 668 4    73 667 4      C-13-H3C(O)CH3
  765222.1323  0.0164 -4.9136 3  995.2845596  59516140474 668 3    73 667 3      C-13-H3C(O)CH3
  765222.1323  0.0164 -4.4204 3  995.2845596  59516140474 668 3    73 767 3      C-13-H3C(O)CH3
  765222.1323  0.0164 -4.9136 3  995.2845596  59516140474 768 3    73 767 3      C-13-H3C(O)CH3
  765222.1323  0.0164 -4.4204 3  995.2845596  59516140474 768 3    73 667 3      C-13-H3C(O)CH3
  765225.4408  0.0306 -4.7337 3  995.3169B92  59516140474 668 1    73 667 1      C-13-H3C(O)CH3
  765225.4408  0.0306 -4.0867 3  995.3169B92  59516140474 768 1    73 667 1      C-13-H3C(O)CH3
  765225.4408  0.0306 -4.7337 3  995.3169B92  59516140474 768 1    73 767 1      C-13-H3C(O)CH3
  765225.4408  0.0306 -4.0867 3  995.3169B92  59516140474 668 1    73 767 1      C-13-H3C(O)CH3
  765225.6674  0.0301 -4.0308 3  995.3167B92  59516140474 668 2    73 767 2      C-13-H3C(O)CH3
  765225.6674  0.0301 -4.0308 3  995.3167B92  59516140474 768 2    73 667 2      C-13-H3C(O)CH3
  765225.6674  0.0301 -5.1425 3  995.3167B92  59516140474 668 2    73 667 2      C-13-H3C(O)CH3
  765225.6674  0.0301 -5.1425 3  995.3167B92  59516140474 768 2    73 767 2      C-13-H3C(O)CH3
  765228.9842  0.0170 -4.4253 3  995.3490B92  59516140474 668 0    73 767 0      C-13-H3C(O)CH3
  765228.9842  0.0170 -4.2022 3  995.3490B92  59516140474 768 0    73 767 0      C-13-H3C(O)CH3
  765228.9842  0.0170 -4.4253 3  995.3490B92  59516140474 768 0    73 667 0      C-13-H3C(O)CH3
  765228.9842  0.0170 -4.2022 3  995.3490B92  59516140474 668 0    73 667 0      C-13-H3C(O)CH3
  765291.3809  0.0207 -5.4788 3  257.7889252  595161404312210 4    301912 4      C-13-H3C(O)CH3
  765383.4013  0.0129 -5.2196 3  257.8086504  595161404312210 1    301912 1      C-13-H3C(O)CH3
  765401.1498  0.0175 -5.5823 3  257.7891252  595161404312210 3    301912 3      C-13-H3C(O)CH3
  765449.4406  0.0042 -3.3649 3  483.0132664 -595161404413210 0    4031 9 0      C-13-H3C(O)CH3
  765449.4406  0.0042 -3.3649 3  483.0132664 -5951614044132 9 0    403110 0      C-13-H3C(O)CH3
  765518.2974  0.0092 -5.9218 3  183.6285220  595161404271711 4    261214 4      C-13-H3C(O)CH3
  765523.8820  0.0052 -3.3649 3  482.9814664 -595161404413210 1    403110 1      C-13-H3C(O)CH3
  765539.0773  0.0050 -3.3648 3  482.9989664 -595161404413210 2    403110 2      C-13-H3C(O)CH3
  765540.7777  0.0081 -5.9218 3  183.6285220  595161404271711 3    261214 3      C-13-H3C(O)CH3
  765552.8479  0.0048 -3.3650 3  483.0204664 -5951614044132 9 2    4031 9 2      C-13-H3C(O)CH3
  765600.2648  0.0048 -3.3648 3  483.0066664 -5951614044132 9 1    4031 9 1      C-13-H3C(O)CH3
  765613.5415  0.0176 -4.0537 3  806.7906904  595161404562630 0    552729 0      C-13-H3C(O)CH3
  765613.7152  0.0176 -4.0537 3  806.7906904  595161404562730 0    552629 0      C-13-H3C(O)CH3
  765614.4230  0.0069 -3.6659 3  482.9669332  595161404413210 4    403110 4      C-13-H3C(O)CH3
  765628.2043  0.0065 -3.6660 3  482.9885332  595161404413210 3    403110 3      C-13-H3C(O)CH3
  765646.2595  0.0196 -4.2930 3  951.7146A80  595161404671553 0    661452 0      C-13-H3C(O)CH3
  765646.2595  0.0196 -4.3777 3  951.7146A80  595161404671453 0    661452 0      C-13-H3C(O)CH3
  765646.2595  0.0196 -4.2930 3  951.7146A80  595161404671453 0    661552 0      C-13-H3C(O)CH3
  765646.2595  0.0196 -4.3777 3  951.7146A80  595161404671553 0    661552 0      C-13-H3C(O)CH3
  765664.5333  0.0188 -4.0538 3  806.7913904  595161404562630 1    552729 1      C-13-H3C(O)CH3
  765664.7315  0.0188 -4.0538 3  806.7913904  595161404562730 1    552629 1      C-13-H3C(O)CH3
  765670.4265  0.0203 -4.0538 3  806.7913904  595161404562630 2    552729 2      C-13-H3C(O)CH3
  765670.6207  0.0203 -4.0538 3  806.7913904  595161404562730 2    552629 2      C-13-H3C(O)CH3
  765682.2933  0.0259 -4.1066 3  951.7036A80  595161404671453 1    661552 1      C-13-H3C(O)CH3
  765682.2933  0.0259 -4.1066 3  951.7036A80  595161404671553 1    661452 1      C-13-H3C(O)CH3
  765682.2933  0.0259 -4.8350 3  951.7036A80  595161404671553 1    661552 1      C-13-H3C(O)CH3
  765682.2933  0.0259 -4.8350 3  951.7036A80  595161404671453 1    661452 1      C-13-H3C(O)CH3
  765682.5619  0.0256 -4.1908 3  951.7034A80  595161404671553 2    661452 2      C-13-H3C(O)CH3
  765682.5619  0.0256 -4.5467 3  951.7034A80  595161404671553 2    661552 2      C-13-H3C(O)CH3
  765682.5619  0.0256 -4.5467 3  951.7034A80  595161404671453 2    661452 2      C-13-H3C(O)CH3
  765682.5619  0.0256 -4.1908 3  951.7034A80  595161404671453 2    661552 2      C-13-H3C(O)CH3
  765690.9285  0.0064 -3.6658 3  482.9922332  5951614044132 9 3    4031 9 3      C-13-H3C(O)CH3
  765695.5024  0.0191 -4.0467 3  824.2554920  595161404572532 0    562631 0      C-13-H3C(O)CH3
  765695.5054  0.0191 -4.0467 3  824.2554920  595161404572632 0    562531 0      C-13-H3C(O)CH3
  765704.0085  0.0066 -3.6659 3  483.0138332  5951614044132 9 4    4031 9 4      C-13-H3C(O)CH3
  765704.7509  0.0085 -5.6202 3  183.6361440  595161404271711 1    261214 1      C-13-H3C(O)CH3
  765718.6321  0.0259 -4.8215 3  951.6924540  595161404671553 3    661552 3      C-13-H3C(O)CH3
  765718.6321  0.0259 -4.8215 3  951.6924540  595161404671453 3    661452 3      C-13-H3C(O)CH3
  765718.6321  0.0259 -4.5038 3  951.6924540  595161404671453 3    661552 3      C-13-H3C(O)CH3
  765718.6321  0.0259 -4.5038 3  951.6924540  595161404671553 3    661452 3      C-13-H3C(O)CH3
  765718.6869  0.0259 -4.8311 3  951.6923540  595161404671553 4    661452 4      C-13-H3C(O)CH3
  765718.6869  0.0259 -4.4993 3  951.6923540  595161404671553 4    661552 4      C-13-H3C(O)CH3
  765718.6869  0.0259 -4.4993 3  951.6923540  595161404671453 4    661452 4      C-13-H3C(O)CH3
  765718.6869  0.0259 -4.8311 3  951.6923540  595161404671453 4    661552 4      C-13-H3C(O)CH3
  765721.4870  0.0221 -4.3549 3  806.7920452  595161404562630 3    552729 3      C-13-H3C(O)CH3
  765721.5931  0.0221 -4.3549 3  806.7920452  595161404562630 4    552729 4      C-13-H3C(O)CH3
  765721.7086  0.0221 -4.3549 3  806.7920452  595161404562730 3    552629 3      C-13-H3C(O)CH3
  765721.8133  0.0221 -4.3549 3  806.7920452  595161404562730 4    552629 4      C-13-H3C(O)CH3
  765726.8203  0.0084 -5.6207 3  183.6326440  595161404271711 2    261214 2      C-13-H3C(O)CH3
  765729.0627  0.0587 -5.8250 3  491.6316340  595161404423013 3    412912 3      C-13-H3C(O)CH3
  765735.7427  0.0213 -3.9890 3  380.7773616  595161404382216 2    372117 2      C-13-H3C(O)CH3
  765743.9464  0.0203 -4.0468 3  824.2568920  595161404572532 1    562631 1      C-13-H3C(O)CH3
  765743.9501  0.0203 -4.0468 3  824.2568920  595161404572632 1    562531 1      C-13-H3C(O)CH3
  765748.2384  0.0216 -4.0467 3  824.2570920  595161404572532 2    562631 2      C-13-H3C(O)CH3
  765748.2419  0.0216 -4.0467 3  824.2570920  595161404572632 2    562531 2      C-13-H3C(O)CH3
  765761.2291  0.0050 -3.4812 3  491.6392680 -595161404423013 0    412912 0      C-13-H3C(O)CH3
  765786.3245  0.0243 -4.2897 3  380.7547308  595161404382216 3    372117 3      C-13-H3C(O)CH3
  765794.9666  0.0231 -4.2897 3  380.7547308  595161404382216 4    372117 4      C-13-H3C(O)CH3
  765796.7457  0.0234 -4.3478 3  824.2584460  595161404572532 3    562631 3      C-13-H3C(O)CH3
  765796.7500  0.0234 -4.3478 3  824.2584460  595161404572632 3    562531 3      C-13-H3C(O)CH3
  765796.8449  0.0235 -4.3478 3  824.2584460  595161404572532 4    562631 4      C-13-H3C(O)CH3
  765796.8491  0.0235 -4.3478 3  824.2584460  595161404572632 4    562531 4      C-13-H3C(O)CH3
  765819.4684  0.0050 -3.4811 3  491.6378680  595161404423012 0    412913 0      C-13-H3C(O)CH3
  765858.4310  0.0060 -3.4819 3  491.6140680 -595161404423013 1    412913 1      C-13-H3C(O)CH3
  765883.6067  0.0177 -5.1989 3  257.7891252  5951614043122 9 3    301912 3      C-13-H3C(O)CH3
  765899.4124  0.0089 -5.6198 3  183.6402440  595161404271711 0    261214 0      C-13-H3C(O)CH3
  765904.7618  0.0115 -5.9136 3  257.8062504  595161404312210 2    301912 2      C-13-H3C(O)CH3
  765917.0587  0.0057 -3.4811 3  491.6221680 -595161404423013 2    412913 2      C-13-H3C(O)CH3
  765920.8437  0.0051 -3.4816 3  491.6562680  595161404423012 2    412912 2      C-13-H3C(O)CH3
  765926.6123  0.0049 -3.4819 3  491.6374680 -595161404423012 1    412912 1      C-13-H3C(O)CH3
  765973.7760  0.0138 -3.9895 3  380.8056616  595161404382216 0    372117 0      C-13-H3C(O)CH3
  765976.3442  0.0116 -4.9264 3  257.8086504  5951614043122 9 1    301912 1      C-13-H3C(O)CH3
  765984.7256  0.0072 -3.7819 3  491.5974340  595161404423013 4    412913 4      C-13-H3C(O)CH3
  765988.6365  0.0068 -3.7862 3  491.6316340  595161404423012 3    412912 3      C-13-H3C(O)CH3
  766005.5527  0.0174 -5.2499 3  257.7889252  5951614043122 9 4    301912 4      C-13-H3C(O)CH3
  766018.8182  0.0161 -4.0666 3  788.6357888  595161404552728 0    542827 0      C-13-H3C(O)CH3
  766019.1275  0.0073 -4.5689 3  224.7733260  595161404321022 4    31 923 4      C-13-H3C(O)CH3
  766019.1275  0.0073 -4.5689 3  224.7733260  595161404321122 4    31 823 4      C-13-H3C(O)CH3
  766019.5642  0.0062 -4.5689 3  224.7732260  595161404321122 3    31 823 3      C-13-H3C(O)CH3
  766019.5642  0.0062 -4.5688 3  224.7732260  595161404321022 3    31 923 3      C-13-H3C(O)CH3
  766024.7311  0.0159 -3.9892 3  380.7830616  595161404382216 1    372117 1      C-13-H3C(O)CH3
  766026.4418  0.0161 -4.0666 3  788.6355888  595161404552828 0    542727 0      C-13-H3C(O)CH3
  766055.3460  0.0065 -3.7858 3  491.6207340  595161404423013 3    412913 3      C-13-H3C(O)CH3
  766059.3807  0.0060 -3.7824 3  491.6549340 -595161404423012 4    412912 4      C-13-H3C(O)CH3
  766073.4897  0.0174 -4.0668 3  788.6352888  595161404552728 1    542827 1      C-13-H3C(O)CH3
  766077.5102  0.0205 -4.0434 3  841.0736936  595161404582534 0    572433 0      C-13-H3C(O)CH3
  766077.5102  0.0205 -4.0434 3  841.0736936  595161404582434 0    572533 0      C-13-H3C(O)CH3
  766081.8071  0.0173 -4.0668 3  788.6350888  595161404552828 1    542727 1      C-13-H3C(O)CH3
  766082.0975  0.0190 -4.0667 3  788.6349888  595161404552728 2    542827 2      C-13-H3C(O)CH3
  766090.3840  0.0189 -4.0667 3  788.6347888  595161404552828 2    542727 2      C-13-H3C(O)CH3
  766124.1468  0.0217 -4.0434 3  841.0755936  595161404582434 1    572533 1      C-13-H3C(O)CH3
  766124.1469  0.0217 -4.0434 3  841.0755936  595161404582534 1    572433 1      C-13-H3C(O)CH3
  766127.4126  0.0228 -4.0434 3  841.0757936  595161404582534 2    572433 2      C-13-H3C(O)CH3
  766127.4126  0.0228 -4.0434 3  841.0757936  595161404582434 2    572533 2      C-13-H3C(O)CH3
  766136.8214  0.0207 -4.3679 3  788.6344444  595161404552728 3    542827 3      C-13-H3C(O)CH3
  766136.9545  0.0208 -4.3679 3  788.6344444  595161404552728 4    542827 4      C-13-H3C(O)CH3
  766145.8629  0.0206 -4.3679 3  788.6341444  595161404552828 3    542727 3      C-13-H3C(O)CH3
  766145.8841  0.0104 -4.7805 3  257.8062504  5951614043122 9 2    301912 2      C-13-H3C(O)CH3
  766145.9609  0.0206 -4.3679 3  788.6341444  595161404552828 4    542727 4      C-13-H3C(O)CH3
  766160.1604  0.0089 -4.7498 3  257.8257504  5951614043122 9 0    301912 0      C-13-H3C(O)CH3
  766174.1082  0.0247 -4.3444 3  841.0775468  595161404582434 3    572533 3      C-13-H3C(O)CH3
  766174.1083  0.0247 -4.3444 3  841.0775468  595161404582534 3    572433 3      C-13-H3C(O)CH3
  766174.2027  0.0247 -4.3444 3  841.0775468  595161404582434 4    572533 4      C-13-H3C(O)CH3
  766174.2028  0.0247 -4.3444 3  841.0775468  595161404582534 4    572433 4      C-13-H3C(O)CH3
  766273.8588  0.0055 -4.2674 3  224.7786520  595161404321022 2    31 923 2      C-13-H3C(O)CH3
  766273.8588  0.0055 -4.2674 3  224.7786520  595161404321122 2    31 823 2      C-13-H3C(O)CH3
  766285.3000  0.0057 -4.2679 3  224.7797520  595161404321022 1    31 923 1      C-13-H3C(O)CH3
  766285.3000  0.0057 -4.2679 3  224.7797520  595161404321122 1    31 823 1      C-13-H3C(O)CH3
  766314.9199  0.0598 -5.8245 3  491.6207340  595161404423012 3    412913 3      C-13-H3C(O)CH3
  766396.4145  0.0140 -4.5157 3 1001.4764604  59516140475 670 4    74 669 4      C-13-H3C(O)CH3
  766396.4145  0.0140 -4.6991 3 1001.4764604  59516140475 570 4    74 669 4      C-13-H3C(O)CH3
  766396.4145  0.0140 -4.5157 3 1001.4764604  59516140475 570 4    74 569 4      C-13-H3C(O)CH3
  766396.4145  0.0140 -4.6991 3 1001.4764604  59516140475 670 4    74 569 4      C-13-H3C(O)CH3
  766396.4587  0.0140 -4.3007 3 1001.4765604  59516140475 570 3    74 669 3      C-13-H3C(O)CH3
  766396.4587  0.0140 -4.3007 3 1001.4765604  59516140475 670 3    74 569 3      C-13-H3C(O)CH3
  766407.2752  0.0251 -4.4130 3 1001.5075C08  59516140475 570 1    74 669 1      C-13-H3C(O)CH3
  766407.2752  0.0251 -4.2052 3 1001.5075C08  59516140475 670 1    74 669 1      C-13-H3C(O)CH3
  766407.4962  0.0249 -5.2512 3 1001.5073C08  59516140475 570 2    74 669 2      C-13-H3C(O)CH3
  766407.4962  0.0249 -4.0206 3 1001.5073C08  59516140475 670 2    74 669 2      C-13-H3C(O)CH3
  766407.6255  0.0249 -4.0206 3 1001.5073C08 -59516140475 570 2    74 569 2      C-13-H3C(O)CH3
  766407.6255  0.0251 -4.4130 3 1001.5075C08 -59516140475 670 1    74 569 1      C-13-H3C(O)CH3
  766407.6255  0.0249 -5.2512 3 1001.5073C08 -59516140475 670 2    74 569 2      C-13-H3C(O)CH3
  766407.6255  0.0251 -4.2052 3 1001.5075C08 -59516140475 570 1    74 569 1      C-13-H3C(O)CH3
  766417.2265  0.0146 -4.5226 3 1001.5383C08 -59516140475 570 0    74 669 0      C-13-H3C(O)CH3
  766417.2265  0.0146 -4.5226 3 1001.5383C08 -59516140475 670 0    74 569 0      C-13-H3C(O)CH3
  766418.3160  0.0146 -4.1490 3 1001.5383C08  59516140475 670 0    74 669 0      C-13-H3C(O)CH3
  766418.3160  0.0146 -4.1490 3 1001.5383C08  59516140475 570 0    74 569 0      C-13-H3C(O)CH3
  766539.1215  0.0056 -4.2673 3  224.7851520  595161404321022 0    31 923 0      C-13-H3C(O)CH3
  766539.1215  0.0056 -4.2674 3  224.7851520  595161404321122 0    31 823 0      C-13-H3C(O)CH3
  766655.9791  0.0218 -4.0424 3  857.2735952  595161404592336 0    582435 0      C-13-H3C(O)CH3
  766655.9791  0.0218 -4.0425 3  857.2735952  595161404592436 0    582335 0      C-13-H3C(O)CH3
  766701.2605  0.0230 -4.0428 3  857.2755952  595161404592336 1    582435 1      C-13-H3C(O)CH3
  766701.2605  0.0230 -4.0431 3  857.2755952  595161404592436 1    582335 1      C-13-H3C(O)CH3
  766703.8256  0.0239 -4.0425 3  857.2757952  595161404592336 2    582435 2      C-13-H3C(O)CH3
  766703.8256  0.0239 -4.0428 3  857.2757952  595161404592436 2    582335 2      C-13-H3C(O)CH3
  766738.4548  0.0188 -4.0421 3  962.2469A96  595161404681455 0    671354 0      C-13-H3C(O)CH3
  766738.4548  0.0188 -5.7844 3  962.2469A96  595161404681455 0    671454 0      C-13-H3C(O)CH3
  766738.4548  0.0188 -5.7844 3  962.2469A96  595161404681355 0    671354 0      C-13-H3C(O)CH3
  766738.4548  0.0188 -4.0421 3  962.2469A96  595161404681355 0    671454 0      C-13-H3C(O)CH3
  766749.1627  0.0258 -4.3435 3  857.2776476  595161404592336 3    582435 3      C-13-H3C(O)CH3
  766749.1627  0.0258 -4.3435 3  857.2776476  595161404592436 3    582335 3      C-13-H3C(O)CH3
  766749.2533  0.0258 -4.3435 3  857.2776476  595161404592436 4    582335 4      C-13-H3C(O)CH3
  766749.2533  0.0258 -4.3435 3  857.2776476  595161404592336 4    582435 4      C-13-H3C(O)CH3
  766772.1944  0.0273 -4.4740 3  962.2332A96  595161404681455 1    671354 1      C-13-H3C(O)CH3
  766772.1944  0.0273 -4.2303 3  962.2332A96  595161404681455 1    671454 1      C-13-H3C(O)CH3
  766772.1944  0.0273 -4.4740 3  962.2332A96  595161404681355 1    671454 1      C-13-H3C(O)CH3
  766772.1944  0.0273 -4.2303 3  962.2332A96  595161404681355 1    671354 1      C-13-H3C(O)CH3
  766772.3607  0.0268 -4.0392 3  962.2330A96  595161404681355 2    671354 2      C-13-H3C(O)CH3
  766772.3607  0.0268 -4.0761 3  962.2330A96  595161404681455 2    671454 2      C-13-H3C(O)CH3
  766772.3607  0.0268 -5.9756 3  962.2330A96  595161404681455 2    671354 2      C-13-H3C(O)CH3
  766772.3607  0.0268 -5.0705 3  962.2330A96  595161404681355 2    671454 2      C-13-H3C(O)CH3
  766797.5876  0.3244 -5.7906 3 1118.5996516  595161404643926 4    634023 4      C-13-H3C(O)CH3
  766806.1336  0.0253 -4.3359 3  962.2192548  595161404681455 3    671354 3      C-13-H3C(O)CH3
  766806.1336  0.0253 -4.3359 3  962.2192548  595161404681355 3    671454 3      C-13-H3C(O)CH3
  766806.1811  0.0253 -4.6243 3  962.2192548  595161404681455 4    671454 4      C-13-H3C(O)CH3
  766806.1811  0.0253 -4.6486 3  962.2192548  595161404681455 4    671354 4      C-13-H3C(O)CH3
  766806.1811  0.0253 -4.6243 3  962.2192548  595161404681355 4    671354 4      C-13-H3C(O)CH3
  766806.1811  0.0253 -4.6486 3  962.2192548  595161404681355 4    671454 4      C-13-H3C(O)CH3
  766926.9568  0.2094 -5.7805 3 1118.5958516  595161404643926 3    634023 3      C-13-H3C(O)CH3
  767173.8581  0.1832 -5.4837 3 1118.5703A32  595161404643926 1    634023 1      C-13-H3C(O)CH3
  767205.4557  0.0151 -4.0900 3  769.7194872  595161404542826 0    532925 0      C-13-H3C(O)CH3
  767231.8501  0.2538 -5.4832 3 1118.5684A32  595161404643926 2    634023 2      C-13-H3C(O)CH3
  767261.0622  0.0163 -4.0902 3  769.7171872  595161404542826 1    532925 1      C-13-H3C(O)CH3
  767274.3021  0.0186 -4.0902 3  769.7162872  595161404542826 2    532925 2      C-13-H3C(O)CH3
  767329.5674  0.0201 -4.3915 3  769.7138436  595161404542826 3    532925 3      C-13-H3C(O)CH3
  767330.0137  0.0201 -4.3915 3  769.7138436  595161404542826 4    532925 4      C-13-H3C(O)CH3
  767369.4532  0.0229 -4.1101 3  872.8745968  595161404602338 0    592237 0      C-13-H3C(O)CH3
  767369.4532  0.0229 -4.8886 3  872.8745968  595161404602238 0    592237 0      C-13-H3C(O)CH3
  767369.4532  0.0229 -4.1101 3  872.8745968  595161404602238 0    592337 0      C-13-H3C(O)CH3
  767369.4532  0.0229 -4.8886 3  872.8745968  595161404602338 0    592337 0      C-13-H3C(O)CH3
  767413.6738  0.0241 -4.0544 3  872.8762968  595161404602338 1    592337 1      C-13-H3C(O)CH3
  767413.6738  0.0241 -5.6756 3  872.8762968  595161404602338 1    592237 1      C-13-H3C(O)CH3
  767413.6738  0.0241 -5.6368 3  872.8762968  595161404602238 1    592337 1      C-13-H3C(O)CH3
  767413.6738  0.0241 -4.0534 3  872.8762968  595161404602238 1    592237 1      C-13-H3C(O)CH3
  767415.7336  0.0249 -4.0443 3  872.8764968  595161404602238 2    592337 2      C-13-H3C(O)CH3
  767415.7336  0.0249 -4.0443 3  872.8764968  595161404602338 2    592237 2      C-13-H3C(O)CH3
  767449.2142  0.0145 -4.0897 3  769.7132872  595161404542926 0    532825 0      C-13-H3C(O)CH3
  767460.0072  0.0268 -5.4543 3  872.8781484  595161404602338 3    592337 3      C-13-H3C(O)CH3
  767460.0072  0.0268 -5.4543 3  872.8781484  595161404602238 3    592237 3      C-13-H3C(O)CH3
  767460.0072  0.0268 -4.3793 3  872.8781484  595161404602338 3    592237 3      C-13-H3C(O)CH3
  767460.0072  0.0268 -4.3793 3  872.8781484  595161404602238 3    592337 3      C-13-H3C(O)CH3
  767460.0944  0.0268 -4.4645 3  872.8781484  595161404602338 4    592337 4      C-13-H3C(O)CH3
  767460.0944  0.0268 -4.9607 3  872.8781484  595161404602338 4    592237 4      C-13-H3C(O)CH3
  767460.0944  0.0268 -5.2257 3  872.8781484  595161404602238 4    592337 4      C-13-H3C(O)CH3
  767460.0944  0.0268 -4.4054 3  872.8781484  595161404602238 4    592237 4      C-13-H3C(O)CH3
  767518.9261  0.0156 -4.0899 3  769.7105872  595161404542926 1    532825 1      C-13-H3C(O)CH3
  767533.2382  0.0165 -4.0899 3  769.7095872  595161404542926 2    532825 2      C-13-H3C(O)CH3
  767541.5073  0.1558 -5.4824 3 1118.5412A32  595161404643926 0    634023 0      C-13-H3C(O)CH3
  767581.1593  0.0112 -4.4812 3 1007.1378612  59516140476 572 4    75 571 4      C-13-H3C(O)CH3
  767581.1593  0.0112 -4.4812 3 1007.1378612  59516140476 472 4    75 471 4      C-13-H3C(O)CH3
  767581.1593  0.0112 -4.7479 3 1007.1378612  59516140476 472 4    75 571 4      C-13-H3C(O)CH3
  767581.1593  0.0112 -4.7479 3 1007.1378612  59516140476 572 4    75 471 4      C-13-H3C(O)CH3
  767581.2018  0.0112 -5.8292 3 1007.1378612  59516140476 472 3    75 471 3      C-13-H3C(O)CH3
  767581.2018  0.0112 -5.8292 3 1007.1378612  59516140476 572 3    75 571 3      C-13-H3C(O)CH3
  767581.2018  0.0112 -4.3062 3 1007.1378612  59516140476 472 3    75 571 3      C-13-H3C(O)CH3
  767581.2018  0.0112 -4.3062 3 1007.1378612  59516140476 572 3    75 471 3      C-13-H3C(O)CH3
  767598.9582  0.0178 -4.0747 3 1007.1645C24  59516140476 572 1    75 571 1      C-13-H3C(O)CH3
  767598.9582  0.0178 -4.7549 3 1007.1645C24  59516140476 472 1    75 571 1      C-13-H3C(O)CH3
  767599.1183  0.0179 -4.0536 3 1007.1642C24  59516140476 572 2    75 571 2      C-13-H3C(O)CH3
  767599.1183  0.0179 -4.8737 3 1007.1642C24  59516140476 472 2    75 571 2      C-13-H3C(O)CH3
  767599.2761  0.0178 -4.7549 3 1007.1645C24 -59516140476 572 1    75 471 1      C-13-H3C(O)CH3
  767599.2761  0.0179 -4.8737 3 1007.1642C24 -59516140476 572 2    75 471 2      C-13-H3C(O)CH3
  767599.2761  0.0179 -4.0536 3 1007.1642C24 -59516140476 472 2    75 471 2      C-13-H3C(O)CH3
  767599.2761  0.0178 -4.0747 3 1007.1645C24 -59516140476 472 1    75 471 1      C-13-H3C(O)CH3
  767603.3646  0.0180 -4.3911 3  769.7068436  595161404542926 4    532825 4      C-13-H3C(O)CH3
  767603.5350  0.0179 -4.3911 3  769.7068436  595161404542926 3    532825 3      C-13-H3C(O)CH3
  767616.0361  0.0112 -4.1766 3 1007.1908C24 -59516140476 472 0    75 471 0      C-13-H3C(O)CH3
  767616.0361  0.0112 -4.1766 3 1007.1908C24 -59516140476 572 0    75 571 0      C-13-H3C(O)CH3
  767616.8699  0.0112 -4.4537 3 1007.1908C24  59516140476 572 0    75 471 0      C-13-H3C(O)CH3
  767616.8699  0.0112 -4.4537 3 1007.1908C24  59516140476 472 0    75 571 0      C-13-H3C(O)CH3
  767652.2725  0.5644 -6.0353 3 1201.2764532  595161404664225 4    654322 4      C-13-H3C(O)CH3
  767748.3761  0.3026 -5.9419 3 1201.2751532  595161404664225 3    654322 3      C-13-H3C(O)CH3
  767767.1307  0.0168 -5.5452 3  218.8078228  5951614042823 5 4    2720 7 4      C-13-H3C(O)CH3
  767799.8324  0.0139 -5.5446 3  218.7811228  5951614042823 6 3    2720 7 3      C-13-H3C(O)CH3
  767840.0692  0.0083 -6.1275 3  149.1937408  595161404251312 2    241015 2      C-13-H3C(O)CH3
  767846.2555  0.0184 -4.1632 3  972.2373B12  595161404691257 0    681356 0      C-13-H3C(O)CH3
  767846.2555  0.0184 -4.6309 3  972.2373B12  595161404691257 0    681256 0      C-13-H3C(O)CH3
  767846.2555  0.0184 -4.6309 3  972.2373B12  595161404691357 0    681356 0      C-13-H3C(O)CH3
  767846.2555  0.0184 -4.1632 3  972.2373B12  595161404691357 0    681256 0      C-13-H3C(O)CH3
  767877.1226  0.0293 -4.4164 3  972.2205B12  595161404691257 1    681356 1      C-13-H3C(O)CH3
  767877.1226  0.0293 -4.2697 3  972.2205B12  595161404691257 1    681256 1      C-13-H3C(O)CH3
  767877.1226  0.0293 -4.4164 3  972.2205B12  595161404691357 1    681256 1      C-13-H3C(O)CH3
  767877.1226  0.0293 -4.2697 3  972.2205B12  595161404691357 1    681356 1      C-13-H3C(O)CH3
  767877.2177  0.0286 -4.0670 3  972.2204B12  595161404691257 2    681256 2      C-13-H3C(O)CH3
  767877.2177  0.0286 -4.0670 3  972.2204B12  595161404691357 2    681356 2      C-13-H3C(O)CH3
  767877.2177  0.0286 -5.1965 3  972.2204B12  595161404691357 2    681256 2      C-13-H3C(O)CH3
  767877.2177  0.0286 -5.1965 3  972.2204B12  595161404691257 2    681356 2      C-13-H3C(O)CH3
  767908.1148  0.0246 -5.1366 3  972.2036556  595161404691257 3    681256 3      C-13-H3C(O)CH3
  767908.1148  0.0246 -4.4118 3  972.2036556  595161404691257 3    681356 3      C-13-H3C(O)CH3
  767908.1148  0.0246 -5.1366 3  972.2036556  595161404691357 3    681356 3      C-13-H3C(O)CH3
  767908.1148  0.0246 -4.4118 3  972.2036556  595161404691357 3    681256 3      C-13-H3C(O)CH3
  767908.1538  0.0246 -5.0257 3  972.2036556  595161404691257 4    681256 4      C-13-H3C(O)CH3
  767908.1538  0.0246 -4.4363 3  972.2036556  595161404691257 4    681356 4      C-13-H3C(O)CH3
  767908.1538  0.0246 -4.4363 3  972.2036556  595161404691357 4    681256 4      C-13-H3C(O)CH3
  767908.1538  0.0246 -5.0257 3  972.2036556  595161404691357 4    681356 4      C-13-H3C(O)CH3
  767912.2969  0.0103 -4.8176 3  192.5556252  59516140431 724 4    30 525 4      C-13-H3C(O)CH3
  767912.2969  0.0103 -4.8176 3  192.5556252  59516140431 824 4    30 625 4      C-13-H3C(O)CH3
  767912.6066  0.0087 -4.8961 3  192.5555252  59516140431 824 3    30 625 3      C-13-H3C(O)CH3
  767912.6066  0.0087 -5.5926 3  192.5555252  59516140431 824 3    30 525 3      C-13-H3C(O)CH3
  767912.6066  0.0087 -4.8961 3  192.5555252  59516140431 724 3    30 525 3      C-13-H3C(O)CH3
  767912.6066  0.0087 -5.5926 3  192.5555252  59516140431 724 3    30 625 3      C-13-H3C(O)CH3
  767952.6162  0.0063 -4.3480 3  281.7315276  595161404341519 4    331420 4      C-13-H3C(O)CH3
  767952.8735  0.0059 -4.3480 3  281.7315276  595161404341519 3    331420 3      C-13-H3C(O)CH3
  767954.0178  0.0063 -4.3480 3  281.7315276  595161404341619 4    331320 4      C-13-H3C(O)CH3
  767954.2810  0.0059 -4.3480 3  281.7315276  595161404341619 3    331320 3      C-13-H3C(O)CH3
  767969.7318  0.0083 -6.1269 3  149.1957408  595161404251312 1    241015 1      C-13-H3C(O)CH3
  767994.3765  0.3940 -5.6632 3 1201.2318A64  595161404664225 2    654322 2      C-13-H3C(O)CH3
  768011.4710  0.3386 -5.6727 3 1201.2358A64  595161404664225 1    654322 1      C-13-H3C(O)CH3
  768022.8624  0.0056 -4.0471 3  281.7521552  595161404341519 2    331420 2      C-13-H3C(O)CH3
  768024.2667  0.0056 -4.0471 3  281.7521552  595161404341619 2    331320 2      C-13-H3C(O)CH3
  768045.3462  0.0056 -4.0471 3  281.7544552  595161404341519 1    331420 1      C-13-H3C(O)CH3
  768046.3885  0.0331 -4.4419 3  749.9354428  595161404532924 3    523023 3      C-13-H3C(O)CH3
  768046.6874  0.0056 -4.0471 3  281.7544552  595161404341619 1    331320 1      C-13-H3C(O)CH3
  768050.5284  0.0328 -4.4419 3  749.9353428  595161404532924 4    523023 4      C-13-H3C(O)CH3
  768050.8912  0.0250 -4.1401 3  749.9411856  595161404532924 1    523023 1      C-13-H3C(O)CH3
  768059.5075  0.0348 -4.1402 3  749.9394856  595161404532924 2    523023 2      C-13-H3C(O)CH3
  768059.7950  0.0261 -4.1395 3  749.9452856  595161404532924 0    523023 0      C-13-H3C(O)CH3
  768115.2585  0.0052 -4.0471 3  281.7750552  595161404341519 0    331420 0      C-13-H3C(O)CH3
  768116.5974  0.0052 -4.0471 3  281.7750552  595161404341619 0    331320 0      C-13-H3C(O)CH3
  768160.6726  0.0082 -6.1262 3  149.1890408  595161404251312 0    241015 0      C-13-H3C(O)CH3
  768163.7598  0.0128 -5.2440 3  218.8151456  5951614042823 5 1    2720 7 1      C-13-H3C(O)CH3
  768165.7192  0.0139 -5.5461 3  218.7697228  5951614042823 5 3    2720 8 3      C-13-H3C(O)CH3
  768167.9260  0.0267 -3.9881 3  403.2035632  595161404392316 2    382217 2      C-13-H3C(O)CH3
  768179.2715  0.0238 -4.1369 3  887.8903984  595161404612240 0    602239 0      C-13-H3C(O)CH3
  768179.2715  0.0238 -4.7647 3  887.8903984  595161404612240 0    602139 0      C-13-H3C(O)CH3
  768179.2715  0.0238 -4.1369 3  887.8903984  595161404612140 0    602139 0      C-13-H3C(O)CH3
  768179.2715  0.0238 -4.7647 3  887.8903984  595161404612140 0    602239 0      C-13-H3C(O)CH3
  768196.5955  0.0291 -4.2887 3  403.1815316  595161404392316 3    382217 3      C-13-H3C(O)CH3
  768199.9619  0.0143 -5.5394 3  218.7430228  5951614042823 6 4    2720 8 4      C-13-H3C(O)CH3
  768204.3224  0.0287 -4.2888 3  403.1814316  595161404392316 4    382217 4      C-13-H3C(O)CH3
  768222.6246  0.0250 -4.5877 3  887.8916984  595161404612240 1    602139 1      C-13-H3C(O)CH3
  768222.6246  0.0250 -4.1917 3  887.8916984  595161404612240 1    602239 1      C-13-H3C(O)CH3
  768222.6246  0.0250 -4.1917 3  887.8916984  595161404612140 1    602139 1      C-13-H3C(O)CH3
  768222.6246  0.0250 -4.5877 3  887.8916984  595161404612140 1    602239 1      C-13-H3C(O)CH3
  768224.3000  0.0256 -4.4082 3  887.8918984  595161404612240 2    602239 2      C-13-H3C(O)CH3
  768224.3000  0.0256 -4.2916 3  887.8918984  595161404612240 2    602139 2      C-13-H3C(O)CH3
  768224.3000  0.0256 -4.2916 3  887.8918984  595161404612140 2    602239 2      C-13-H3C(O)CH3
  768224.3000  0.0256 -4.4082 3  887.8918984  595161404612140 2    602139 2      C-13-H3C(O)CH3
  768267.7039  0.0276 -4.3585 3  887.8930492  595161404612140 3    602239 3      C-13-H3C(O)CH3
  768267.7039  0.0276 -5.8952 3  887.8930492  595161404612240 3    602239 3      C-13-H3C(O)CH3
  768267.7039  0.0276 -5.0318 3  887.8930492  595161404612140 3    602139 3      C-13-H3C(O)CH3
  768267.7039  0.0276 -4.4463 3  887.8930492  595161404612240 3    602139 3      C-13-H3C(O)CH3
  768267.7880  0.0277 -5.2406 3  887.8930492  595161404612240 4    602239 4      C-13-H3C(O)CH3
  768267.7880  0.0277 -4.5390 3  887.8930492  595161404612140 4    602239 4      C-13-H3C(O)CH3
  768267.7880  0.0277 -4.4053 3  887.8930492  595161404612240 4    602139 4      C-13-H3C(O)CH3
  768267.7880  0.0277 -4.7912 3  887.8930492  595161404612140 4    602139 4      C-13-H3C(O)CH3
  768308.7486  0.2941 -5.6404 3 1201.1918A64  595161404664225 0    654322 0      C-13-H3C(O)CH3
  768331.4832  0.0076 -5.9700 3  192.5424504  59516140431 824 2    30 525 2      C-13-H3C(O)CH3
  768331.4832  0.0076 -4.5303 3  192.5424504  59516140431 724 2    30 525 2      C-13-H3C(O)CH3
  768331.4832  0.0076 -4.5303 3  192.5424504  59516140431 824 2    30 625 2      C-13-H3C(O)CH3
  768331.4832  0.0076 -5.9700 3  192.5424504  59516140431 724 2    30 625 2      C-13-H3C(O)CH3
  768338.8092  0.0081 -4.5328 3  192.5431504  59516140431 824 1    30 525 1      C-13-H3C(O)CH3
  768338.8092  0.0081 -5.9078 3  192.5431504  59516140431 824 1    30 625 1      C-13-H3C(O)CH3
  768338.8092  0.0081 -5.9078 3  192.5431504  59516140431 724 1    30 525 1      C-13-H3C(O)CH3
  768338.8092  0.0081 -4.5328 3  192.5431504  59516140431 724 1    30 625 1      C-13-H3C(O)CH3
  768472.5668  0.0163 -3.9891 3  403.2313632 -595161404392316 0    382217 0      C-13-H3C(O)CH3
  768485.8801  0.0125 -5.2469 3  218.8196456  5951614042823 5 2    2720 7 2      C-13-H3C(O)CH3
  768497.7516  0.0056 -3.1983 3  478.7629632 -5951614043937 3 0    3836 2 0      C-13-H3C(O)CH3
  768497.7516  0.0056 -3.1983 3  478.7629632 -5951614043937 2 0    3836 3 0      C-13-H3C(O)CH3
  768500.4705  0.0175 -3.9888 3  403.2092632  595161404392316 1    382217 1      C-13-H3C(O)CH3
  768518.3649  0.0126 -5.2433 3  218.7928456  5951614042823 6 2    2720 8 2      C-13-H3C(O)CH3
  768556.2872  0.0123 -5.2419 3  218.7772456  5951614042823 6 1    2720 8 1      C-13-H3C(O)CH3
  768584.7205  0.0056 -3.1982 3  478.7083632 -5951614043937 3 2    3836 3 2      C-13-H3C(O)CH3
  768674.5168  0.0059 -3.1981 3  478.7094632 -5951614043937 3 1    3836 3 1      C-13-H3C(O)CH3
  768687.0445  0.0060 -3.1981 3  478.7496632 -5951614043937 2 2    3836 2 2      C-13-H3C(O)CH3
  768735.1459  0.0058 -3.1981 3  478.7724632 -5951614043937 2 1    3836 2 1      C-13-H3C(O)CH3
  768756.8378  0.0074 -5.5421 3  192.5300504  59516140431 724 0    30 625 0      C-13-H3C(O)CH3
  768756.8378  0.0074 -4.5569 3  192.5300504  59516140431 824 0    30 625 0      C-13-H3C(O)CH3
  768756.8378  0.0074 -4.5569 3  192.5300504  59516140431 724 0    30 525 0      C-13-H3C(O)CH3
  768756.8378  0.0074 -5.5421 3  192.5300504  59516140431 824 0    30 525 0      C-13-H3C(O)CH3
  768761.3300  0.0086 -3.4989 3  478.6550316  5951614043937 3 4    3836 3 4      C-13-H3C(O)CH3
  768777.1966  0.0084 -4.3095 3 1012.2705620  59516140477 474 4    76 373 4      C-13-H3C(O)CH3
  768777.1966  0.0084 -5.6316 3 1012.2705620  59516140477 374 4    76 373 4      C-13-H3C(O)CH3
  768777.2137  0.0084 -4.3095 3 1012.2705620 -59516140477 374 4    76 473 4      C-13-H3C(O)CH3
  768777.2137  0.0084 -4.2988 3 1012.2705620 -59516140477 374 3    76 473 3      C-13-H3C(O)CH3
  768777.2137  0.0084 -5.6316 3 1012.2705620 -59516140477 474 4    76 473 4      C-13-H3C(O)CH3
  768777.2137  0.0084 -5.9527 3 1012.2705620 -59516140477 474 3    76 473 3      C-13-H3C(O)CH3
  768777.2251  0.0084 -5.9527 3 1012.2705620  59516140477 374 3    76 373 3      C-13-H3C(O)CH3
  768777.2251  0.0084 -4.2988 3 1012.2705620  59516140477 474 3    76 373 3      C-13-H3C(O)CH3
  768800.1426  0.0111 -3.9907 3 1012.2882C40  59516140477 474 1    76 473 1      C-13-H3C(O)CH3
  768800.1426  0.0111 -3.9907 3 1012.2882C40  59516140477 374 1    76 373 1      C-13-H3C(O)CH3
  768800.1847  0.0119 -4.1834 3 1012.2878C40  59516140477 474 2    76 373 2      C-13-H3C(O)CH3
  768800.1847  0.0119 -4.4296 3 1012.2878C40  59516140477 474 2    76 473 2      C-13-H3C(O)CH3
  768800.1847  0.0119 -4.4296 3 1012.2878C40  59516140477 374 2    76 373 2      C-13-H3C(O)CH3
  768800.1847  0.0119 -4.1834 3 1012.2878C40  59516140477 374 2    76 473 2      C-13-H3C(O)CH3
  768821.5087  0.0079 -3.4990 3  478.7178316  5951614043937 2 3    3836 2 3      C-13-H3C(O)CH3
  768823.0843  0.0083 -3.9884 3 1012.3055C40  59516140477 474 0    76 473 0      C-13-H3C(O)CH3
  768823.0843  0.0083 -3.9884 3 1012.3055C40  59516140477 374 0    76 373 0      C-13-H3C(O)CH3
  768852.3476  0.0133 -5.2459 3  218.8277456  5951614042823 6 0    2720 7 0      C-13-H3C(O)CH3
  768859.4851  0.0148 -5.7751 3  159.6959244  59516140430 426 3    29 327 3      C-13-H3C(O)CH3
  768859.4851  0.0148 -5.4435 3  159.6959244  59516140430 526 3    29 327 3      C-13-H3C(O)CH3
  768859.4851  0.0148 -5.4435 3  159.6959244  59516140430 426 3    29 227 3      C-13-H3C(O)CH3
  768859.4851  0.0148 -5.7751 3  159.6959244  59516140430 526 3    29 227 3      C-13-H3C(O)CH3
  768859.6955  0.0166 -5.2779 3  159.6959244  59516140430 426 4    29 327 4      C-13-H3C(O)CH3
  768859.6955  0.0166 -5.2779 3  159.6959244  59516140430 526 4    29 227 4      C-13-H3C(O)CH3
  768863.1614  0.0082 -3.4989 3  478.6962316  5951614043937 3 3    3836 3 3      C-13-H3C(O)CH3
  768909.3248  0.0133 -5.2459 3  218.8258456  5951614042823 5 0    2720 8 0      C-13-H3C(O)CH3
  768923.9496  0.0083 -3.4989 3  478.7590316  5951614043937 2 4    3836 2 4      C-13-H3C(O)CH3
  768950.5064  0.0306 -3.9686 3  426.1860648  595161404402416 2    392317 2      C-13-H3C(O)CH3
  768950.6779  0.0331 -4.2691 3  426.1649324  595161404402416 3    392317 3      C-13-H3C(O)CH3
  768957.9597  0.0324 -4.2691 3  426.1647324  595161404402416 4    392317 4      C-13-H3C(O)CH3
  768968.3039  0.0184 -4.0375 3  981.6873B28  595161404701159 0    691158 0      C-13-H3C(O)CH3
  768968.3039  0.0184 -4.0375 3  981.6873B28  595161404701259 0    691258 0      C-13-H3C(O)CH3
  768995.6136  0.0317 -5.0076 3  981.6674B28  595161404701159 1    691158 1      C-13-H3C(O)CH3
  768995.6136  0.0317 -4.0862 3  981.6674B28  595161404701159 1    691258 1      C-13-H3C(O)CH3
  768995.6136  0.0317 -5.0076 3  981.6674B28  595161404701259 1    691258 1      C-13-H3C(O)CH3
  768995.6136  0.0317 -4.0862 3  981.6674B28  595161404701259 1    691158 1      C-13-H3C(O)CH3
  768995.6709  0.0308 -4.6513 3  981.6673B28  595161404701159 2    691258 2      C-13-H3C(O)CH3
  768995.6709  0.0308 -4.6513 3  981.6673B28  595161404701259 2    691158 2      C-13-H3C(O)CH3
  768995.6709  0.0308 -4.1580 3  981.6673B28  595161404701259 2    691258 2      C-13-H3C(O)CH3
  768995.6709  0.0308 -4.1580 3  981.6673B28  595161404701159 2    691158 2      C-13-H3C(O)CH3
  769023.0071  0.0238 -4.8588 3  981.6473564  595161404701159 3    691258 3      C-13-H3C(O)CH3
  769023.0071  0.0238 -4.8588 3  981.6473564  595161404701259 3    691158 3      C-13-H3C(O)CH3
  769023.0071  0.0238 -4.4938 3  981.6473564  595161404701159 3    691158 3      C-13-H3C(O)CH3
  769023.0071  0.0238 -4.4938 3  981.6473564  595161404701259 3    691258 3      C-13-H3C(O)CH3
  769023.0361  0.0239 -4.8304 3  981.6473564  595161404701159 4    691158 4      C-13-H3C(O)CH3
  769023.0361  0.0239 -4.8304 3  981.6473564  595161404701259 4    691258 4      C-13-H3C(O)CH3
  769023.0361  0.0239 -4.5067 3  981.6473564  595161404701159 4    691258 4      C-13-H3C(O)CH3
  769023.0361  0.0239 -4.5067 3  981.6473564  595161404701259 4    691158 4      C-13-H3C(O)CH3
  769040.8268  0.0065 -3.6803 3  502.7436696 -595161404432815 0    422716 0      C-13-H3C(O)CH3
  769060.0403  0.0243 -4.1879 3  902.3315A00  595161404622042 0    612141 0      C-13-H3C(O)CH3
  769060.0403  0.0243 -4.1879 3  902.3315A00  595161404622142 0    612041 0      C-13-H3C(O)CH3
  769060.0403  0.0243 -4.6067 3  902.3315A00  595161404622142 0    612141 0      C-13-H3C(O)CH3
  769060.0403  0.0243 -4.6067 3  902.3315A00  595161404622042 0    612041 0      C-13-H3C(O)CH3
  769102.6413  0.0256 -4.6312 3  902.3320A00  595161404622042 1    612041 1      C-13-H3C(O)CH3
  769102.6413  0.0256 -4.1789 3  902.3320A00  595161404622142 1    612041 1      C-13-H3C(O)CH3
  769102.6413  0.0256 -4.1789 3  902.3320A00  595161404622042 1    612141 1      C-13-H3C(O)CH3
  769102.6413  0.0256 -4.6312 3  902.3320A00  595161404622142 1    612141 1      C-13-H3C(O)CH3
  769104.0093  0.0261 -4.9876 3  902.3322A00  595161404622042 2    612041 2      C-13-H3C(O)CH3
  769104.0093  0.0261 -4.1005 3  902.3322A00  595161404622142 2    612041 2      C-13-H3C(O)CH3
  769104.0093  0.0261 -4.1005 3  902.3322A00  595161404622042 2    612141 2      C-13-H3C(O)CH3
  769104.0093  0.0261 -4.9876 3  902.3322A00  595161404622142 2    612141 2      C-13-H3C(O)CH3
  769146.6589  0.0283 -6.0306 3  902.3327500  595161404622142 3    612141 3      C-13-H3C(O)CH3
  769146.6589  0.0283 -4.3577 3  902.3327500  595161404622142 3    612041 3      C-13-H3C(O)CH3
  769146.6589  0.0283 -6.0306 3  902.3327500  595161404622042 3    612041 3      C-13-H3C(O)CH3
  769146.6589  0.0283 -4.3577 3  902.3327500  595161404622042 3    612141 3      C-13-H3C(O)CH3
  769146.7400  0.0283 -5.5852 3  902.3327500  595161404622142 4    612041 4      C-13-H3C(O)CH3
  769146.7400  0.0283 -4.3746 3  902.3327500  595161404622042 4    612041 4      C-13-H3C(O)CH3
  769146.7400  0.0283 -5.5852 3  902.3327500  595161404622042 4    612141 4      C-13-H3C(O)CH3
  769146.7400  0.0283 -4.3746 3  902.3327500  595161404622142 4    612141 4      C-13-H3C(O)CH3
  769186.1325  0.0091 -3.6901 3  502.7300696  595161404432815 1    422716 1      C-13-H3C(O)CH3
  769246.6178  0.0093 -3.9844 3  502.7194348  595161404432815 3    422716 3      C-13-H3C(O)CH3
  769285.8995  0.0178 -3.9698 3  426.1915648  595161404402416 1    392317 1      C-13-H3C(O)CH3
  769286.4123  0.0176 -3.9703 3  426.2126648  595161404402416 0    392317 0      C-13-H3C(O)CH3
  769316.9297  0.0144 -3.7071 3  502.7309696  595161404432815 2    422716 2      C-13-H3C(O)CH3
  769361.7896  0.0560 -4.6889 3  507.2216348  595161404432915 4    422814 4      C-13-H3C(O)CH3
  769500.7674  0.0169 -5.0596 3  159.6535488  59516140430 426 2    29 227 2      C-13-H3C(O)CH3
  769500.7674  0.0169 -5.7280 3  159.6535488  59516140430 526 2    29 227 2      C-13-H3C(O)CH3
  769500.7674  0.0169 -5.0596 3  159.6535488  59516140430 526 2    29 327 2      C-13-H3C(O)CH3
  769500.7674  0.0169 -5.7280 3  159.6535488  59516140430 426 2    29 327 2      C-13-H3C(O)CH3
  769504.2197  0.0178 -5.1451 3  159.6539488  59516140430 526 1    29 327 1      C-13-H3C(O)CH3
  769504.2197  0.0178 -5.4653 3  159.6539488  59516140430 526 1    29 227 1      C-13-H3C(O)CH3
  769504.2197  0.0178 -5.1451 3  159.6539488  59516140430 426 1    29 227 1      C-13-H3C(O)CH3
  769504.2197  0.0178 -5.4653 3  159.6539488  59516140430 426 1    29 327 1      C-13-H3C(O)CH3
  769547.1388  0.3870 -6.0504 3 1370.7648B28  595161404704723 2    694821 2      C-13-H3C(O)CH3
  769661.8124  0.4254 -6.0500 3 1370.7709B28  595161404704723 1    694821 1      C-13-H3C(O)CH3
  769664.2918  0.0257 -4.0469 3  502.7149348  595161404432815 4    422716 4      C-13-H3C(O)CH3
  769701.2834  0.4474 -6.0499 3 1370.7189B28  595161404704724 0    694821 0      C-13-H3C(O)CH3
  769739.4726  0.4479 -6.0499 3 1370.7188B28  595161404704723 0    694822 0      C-13-H3C(O)CH3
  769878.3787  0.3753 -6.0503 3 1370.7342B28  595161404704724 2    694822 2      C-13-H3C(O)CH3
  769884.1414  0.0351 -4.2285 3  449.7142332  595161404412516 3    402417 3      C-13-H3C(O)CH3
  769897.9755  0.0329 -4.2287 3  449.7140332  595161404412516 4    402417 4      C-13-H3C(O)CH3
  769908.2980  0.0317 -3.9282 3  449.7340664  595161404412516 2    402417 2      C-13-H3C(O)CH3
  769934.5361  0.0079 -6.1270 3  149.1937408  595161404251412 2    24 915 2      C-13-H3C(O)CH3
  769968.1323  0.0232 -6.1479 3  197.4132212  5951614042624 2 4    2521 4 4      C-13-H3C(O)CH3
  769969.9350  0.0423 -4.0833 3  507.2223696  595161404432915 2    422814 2      C-13-H3C(O)CH3
  769985.9290  0.0069 -4.3399 3 1016.8768628  59516140478 376 4    77 375 4      C-13-H3C(O)CH3
  769985.9290  0.0069 -5.2058 3 1016.8768628  59516140478 276 4    77 375 4      C-13-H3C(O)CH3
  769985.9318  0.0069 -4.6481 3 1016.8767628  59516140478 376 3    77 375 3      C-13-H3C(O)CH3
  769985.9318  0.0069 -4.5308 3 1016.8767628  59516140478 276 3    77 375 3      C-13-H3C(O)CH3
  769986.0450  0.0069 -4.5308 3 1016.8767628 -59516140478 376 3    77 275 3      C-13-H3C(O)CH3
  769986.0450  0.0069 -4.6481 3 1016.8767628 -59516140478 276 3    77 275 3      C-13-H3C(O)CH3
  769986.0450  0.0069 -4.3399 3 1016.8768628 -59516140478 276 4    77 275 4      C-13-H3C(O)CH3
  769986.0450  0.0069 -5.2058 3 1016.8768628 -59516140478 376 4    77 275 4      C-13-H3C(O)CH3
  769994.5285  0.0246 -5.1953 3  916.2059A16  595161404632044 0    622043 0      C-13-H3C(O)CH3
  769994.5285  0.0246 -4.0829 3  916.2059A16  595161404631944 0    622043 0      C-13-H3C(O)CH3
  769994.5285  0.0246 -4.0829 3  916.2059A16  595161404632044 0    621943 0      C-13-H3C(O)CH3
  769994.5285  0.0246 -5.1953 3  916.2059A16  595161404631944 0    621943 0      C-13-H3C(O)CH3
  770010.2047  0.0115 -4.8779 3 1016.8783C56  59516140478 376 2    77 375 2      C-13-H3C(O)CH3
  770010.2047  0.0115 -4.0426 3 1016.8783C56  59516140478 376 2    77 275 2      C-13-H3C(O)CH3
  770010.2047  0.0115 -4.0426 3 1016.8783C56  59516140478 276 2    77 375 2      C-13-H3C(O)CH3
  770010.2047  0.0115 -4.8779 3 1016.8783C56  59516140478 276 2    77 275 2      C-13-H3C(O)CH3
  770010.2998  0.0102 -4.0242 3 1016.8787C56  59516140478 276 1    77 275 1      C-13-H3C(O)CH3
  770010.2998  0.0102 -4.0242 3 1016.8787C56  59516140478 376 1    77 375 1      C-13-H3C(O)CH3
  770010.3172  0.0102 -5.0311 3 1016.8787C56 -59516140478 276 1    77 375 1      C-13-H3C(O)CH3
  770010.3172  0.0102 -5.0311 3 1016.8787C56 -59516140478 376 1    77 275 1      C-13-H3C(O)CH3
  770014.5430  0.0078 -6.1263 3  149.1957408  595161404251412 1    24 915 1      C-13-H3C(O)CH3
  770034.5359  0.0076 -4.2006 3 1016.8803C56  59516140478 376 0    77 375 0      C-13-H3C(O)CH3
  770034.5359  0.0076 -4.3003 3 1016.8803C56  59516140478 276 0    77 375 0      C-13-H3C(O)CH3
  770034.6919  0.0076 -4.2691 3 1016.8803C56 -59516140478 276 0    77 275 0      C-13-H3C(O)CH3
  770034.6919  0.0076 -4.3884 3 1016.8803C56 -59516140478 376 0    77 275 0      C-13-H3C(O)CH3
  770036.4223  0.0261 -4.1116 3  916.2054A16  595161404632044 1    621943 1      C-13-H3C(O)CH3
  770036.4223  0.0261 -4.9337 3  916.2054A16  595161404632044 1    622043 1      C-13-H3C(O)CH3
  770036.4223  0.0261 -4.9337 3  916.2054A16  595161404631944 1    621943 1      C-13-H3C(O)CH3
  770036.4223  0.0261 -4.1116 3  916.2054A16  595161404631944 1    622043 1      C-13-H3C(O)CH3
  770037.5333  0.0264 -4.7975 3  916.2055A16  595161404631944 2    621943 2      C-13-H3C(O)CH3
  770037.5333  0.0264 -4.1363 3  916.2055A16  595161404631944 2    622043 2      C-13-H3C(O)CH3
  770037.5333  0.0264 -4.1363 3  916.2055A16  595161404632044 2    621943 2      C-13-H3C(O)CH3
  770037.5333  0.0264 -4.7975 3  916.2055A16  595161404632044 2    622043 2      C-13-H3C(O)CH3
  770079.4738  0.0287 -4.3516 3  916.2050508  595161404631944 3    622043 3      C-13-H3C(O)CH3
  770079.4738  0.0287 -4.3516 3  916.2050508  595161404632044 3    621943 3      C-13-H3C(O)CH3
  770079.5517  0.0287 -4.3822 3  916.2050508  595161404631944 4    621943 4      C-13-H3C(O)CH3
  770079.5517  0.0287 -5.5195 3  916.2050508  595161404631944 4    622043 4      C-13-H3C(O)CH3
  770079.5517  0.0287 -5.5195 3  916.2050508  595161404632044 4    621943 4      C-13-H3C(O)CH3
  770079.5517  0.0287 -4.3822 3  916.2050508  595161404632044 4    622043 4      C-13-H3C(O)CH3
  770101.6293  0.4337 -6.0499 3 1370.7351B28  595161404704724 1    694822 1      C-13-H3C(O)CH3
  770103.6246  0.0189 -4.3567 3  990.5985B44  595161404711161 0    701060 0      C-13-H3C(O)CH3
  770103.6246  0.0189 -4.3217 3  990.5985B44  595161404711161 0    701160 0      C-13-H3C(O)CH3
  770103.6246  0.0189 -4.3217 3  990.5985B44  595161404711061 0    701060 0      C-13-H3C(O)CH3
  770103.6246  0.0189 -4.3567 3  990.5985B44  595161404711061 0    701160 0      C-13-H3C(O)CH3
  770126.5960  0.0341 -5.3158 3  990.5754B44  595161404711061 1    701060 1      C-13-H3C(O)CH3
  770126.5960  0.0341 -4.0613 3  990.5754B44  595161404711061 1    701160 1      C-13-H3C(O)CH3
  770126.5960  0.0341 -5.3158 3  990.5754B44  595161404711161 1    701160 1      C-13-H3C(O)CH3
  770126.5960  0.0341 -4.0613 3  990.5754B44  595161404711161 1    701060 1      C-13-H3C(O)CH3
  770126.6487  0.0332 -5.0092 3  990.5752B44  595161404711161 2    701160 2      C-13-H3C(O)CH3
  770126.6487  0.0332 -5.0092 3  990.5752B44  595161404711061 2    701060 2      C-13-H3C(O)CH3
  770126.6487  0.0332 -4.0868 3  990.5752B44  595161404711061 2    701160 2      C-13-H3C(O)CH3
  770126.6487  0.0332 -4.0868 3  990.5752B44  595161404711161 2    701060 2      C-13-H3C(O)CH3
  770144.0647  0.0160 -5.0183 3  159.6116488  59516140430 426 0    29 227 0      C-13-H3C(O)CH3
  770144.0647  0.0160 -5.9889 3  159.6116488  59516140430 426 0    29 327 0      C-13-H3C(O)CH3
  770144.0647  0.0160 -5.9889 3  159.6116488  59516140430 526 0    29 227 0      C-13-H3C(O)CH3
  770144.0647  0.0160 -5.0183 3  159.6116488  59516140430 526 0    29 327 0      C-13-H3C(O)CH3
  770149.6429  0.0231 -4.9438 3  990.5521572  595161404711061 3    701060 3      C-13-H3C(O)CH3
  770149.6429  0.0231 -4.4626 3  990.5521572  595161404711061 3    701160 3      C-13-H3C(O)CH3
  770149.6429  0.0231 -4.3743 3  990.5521572  595161404711161 3    701160 3      C-13-H3C(O)CH3
  770149.6429  0.0231 -5.4427 3  990.5521572  595161404711161 3    701060 3      C-13-H3C(O)CH3
  770149.6604  0.0231 -4.3418 3  990.5520572  595161404711161 4    701160 4      C-13-H3C(O)CH3
  770149.6604  0.0231 -4.3418 3  990.5520572  595161404711061 4    701060 4      C-13-H3C(O)CH3
  770200.9651  0.0174 -3.9299 3  449.7389664  595161404412516 1    402417 1      C-13-H3C(O)CH3
  770222.2260  0.0173 -3.9305 3  449.7587664  595161404412516 0    402417 0      C-13-H3C(O)CH3
  770222.4754  0.0197 -6.1438 3  197.3713212  5951614042624 3 3    2521 5 3      C-13-H3C(O)CH3
  770257.6850  0.0080 -6.1256 3  149.1890408  595161404251412 0    24 915 0      C-13-H3C(O)CH3
  770270.8478  0.0238 -3.8620 3  507.2101696  595161404432915 1    422814 1      C-13-H3C(O)CH3
  770288.4408  0.0047 -3.2611 3  483.0444648 -5951614044035 6 0    3934 5 0      C-13-H3C(O)CH3
  770288.4408  0.0047 -3.2611 3  483.0444648 -5951614044035 5 0    3934 6 0      C-13-H3C(O)CH3
  770355.3251  0.0050 -3.2611 3  483.0121648 -5951614044035 6 2    3934 6 2      C-13-H3C(O)CH3
  770406.8705  0.0051 -3.2609 3  482.9981648 -5951614044035 6 1    3934 6 1      C-13-H3C(O)CH3
  770416.0419  0.0052 -3.2610 3  483.0350648 -5951614044035 5 2    3934 5 2      C-13-H3C(O)CH3
  770433.6941  0.0184 -4.5273 3  309.6780552  595161404342312 1    332013 1      C-13-H3C(O)CH3
  770474.2970  0.0072 -3.5619 3  482.9658324  5951614044035 6 4    3934 6 4      C-13-H3C(O)CH3
  770484.2164  0.0052 -3.2608 3  483.0409648 -5951614044035 5 1    3934 5 1      C-13-H3C(O)CH3
  770492.1883  0.0057 -3.5961 3  507.2173696 -595161404432915 0    422814 0      C-13-H3C(O)CH3
  770497.0667  0.0108 -5.7807 3  524.5916712  595161404442816 2    432716 2      C-13-H3C(O)CH3
  770534.2259  0.0074 -3.5619 3  482.9887324  5951614044035 6 3    3934 6 3      C-13-H3C(O)CH3
  770551.0614  0.0072 -3.5619 3  483.0087324  5951614044035 5 3    3934 5 3      C-13-H3C(O)CH3
  770611.0773  0.0074 -3.5618 3  483.0315324  5951614044035 5 4    3934 5 4      C-13-H3C(O)CH3
  770611.6787  0.0205 -6.1461 3  197.3714212  5951614042624 2 3    2521 4 3      C-13-H3C(O)CH3
  770634.7239  0.0401 -4.1321 3  724.2396840  595161404523023 0    512922 0      C-13-H3C(O)CH3
  770649.7127  0.0318 -4.0183 3  507.2038348  595161404432915 3    422814 3      C-13-H3C(O)CH3
  770650.2920  0.0194 -5.8473 3  197.4241424  5951614042624 2 1    2521 4 1      C-13-H3C(O)CH3
  770662.8809  0.0123 -5.6694 3  524.5769356  595161404442816 4    432716 4      C-13-H3C(O)CH3
  770664.9763  0.0238 -4.8439 3  309.6495276  595161404342312 3    332013 3      C-13-H3C(O)CH3
  770714.8168  0.0229 -4.8315 3  309.6491276  595161404342312 4    332013 4      C-13-H3C(O)CH3
  770787.2135  0.0182 -5.8500 3  197.4383424  5951614042624 2 2    2521 4 2      C-13-H3C(O)CH3
  770813.4448  0.0168 -4.5286 3  309.6902552  595161404342312 0    332013 0      C-13-H3C(O)CH3
  770824.6231  0.0854 -4.5469 3  755.0480428  595161404533023 3    523122 3      C-13-H3C(O)CH3
  770841.0755  0.0839 -4.5470 3  755.0476428  595161404533023 4    523122 4      C-13-H3C(O)CH3
  770863.8907  0.0212 -6.1419 3  197.3296212  5951614042624 3 4    2521 5 4      C-13-H3C(O)CH3
  770922.3253  0.0329 -4.1324 3  724.2259840  595161404523023 1    512922 1      C-13-H3C(O)CH3
  770970.7474  0.0245 -4.7084 3  929.5196A32  595161404641846 0    631945 0      C-13-H3C(O)CH3
  770970.7474  0.0245 -4.3634 3  929.5196A32  595161404641846 0    631845 0      C-13-H3C(O)CH3
  770970.7474  0.0245 -4.1627 3  929.5196A32  595161404641946 0    631945 0      C-13-H3C(O)CH3
  770970.7474  0.0245 -4.3466 3  929.5196A32  595161404641946 0    631845 0      C-13-H3C(O)CH3
  771011.9090  0.0263 -4.1115 3  929.5178A32  595161404641846 1    631845 1      C-13-H3C(O)CH3
  771011.9090  0.0263 -4.1115 3  929.5178A32  595161404641946 1    631945 1      C-13-H3C(O)CH3
  771011.9090  0.0263 -4.9597 3  929.5178A32  595161404641846 1    631945 1      C-13-H3C(O)CH3
  771011.9090  0.0263 -4.9597 3  929.5178A32  595161404641946 1    631845 1      C-13-H3C(O)CH3
  771012.7973  0.0265 -4.0748 3  929.5179A32  595161404641846 2    631845 2      C-13-H3C(O)CH3
  771012.7973  0.0265 -5.3806 3  929.5179A32  595161404641846 2    631945 2      C-13-H3C(O)CH3
  771012.7973  0.0265 -5.3806 3  929.5179A32  595161404641946 2    631845 2      C-13-H3C(O)CH3
  771012.7973  0.0265 -4.0748 3  929.5179A32  595161404641946 2    631945 2      C-13-H3C(O)CH3
  771012.8142  0.0485 -4.1325 3  724.2211840  595161404523023 2    512922 2      C-13-H3C(O)CH3
  771038.4835  0.0194 -5.8458 3  197.3964424  5951614042624 3 2    2521 5 2      C-13-H3C(O)CH3
  771054.0037  0.0289 -4.6288 3  929.5161516  595161404641846 3    631945 3      C-13-H3C(O)CH3
  771054.0037  0.0289 -4.6848 3  929.5161516  595161404641846 3    631845 3      C-13-H3C(O)CH3
  771054.0037  0.0289 -4.6848 3  929.5161516  595161404641946 3    631945 3      C-13-H3C(O)CH3
  771054.0037  0.0289 -4.6288 3  929.5161516  595161404641946 3    631845 3      C-13-H3C(O)CH3
  771054.0783  0.0289 -4.4243 3  929.5161516  595161404641946 4    631945 4      C-13-H3C(O)CH3
  771054.0783  0.0289 -5.1856 3  929.5161516  595161404641846 4    631945 4      C-13-H3C(O)CH3
  771054.0783  0.0289 -4.4243 3  929.5161516  595161404641846 4    631845 4      C-13-H3C(O)CH3
  771054.0783  0.0289 -5.1856 3  929.5161516  595161404641946 4    631845 4      C-13-H3C(O)CH3
  771065.3546  0.0943 -4.2443 3  755.0500856  595161404533023 2    523122 2      C-13-H3C(O)CH3
  771078.1000  0.0187 -4.5386 3  309.6614552  595161404342312 2    332013 2      C-13-H3C(O)CH3
  771100.9891  0.0614 -4.2440 3  755.0516856  595161404533023 1    523122 1      C-13-H3C(O)CH3
  771209.4618  0.0079 -4.2795 3 1020.9592636  59516140479 278 3    78 177 3      C-13-H3C(O)CH3
  771209.4757  0.0079 -4.2795 3 1020.9592636 -59516140479 178 3    78 277 3      C-13-H3C(O)CH3
  771209.4757  0.0079 -4.5778 3 1020.9593636 -59516140479 178 4    78 177 4      C-13-H3C(O)CH3
  771209.4757  0.0079 -4.5820 3 1020.9593636 -59516140479 278 4    78 177 4      C-13-H3C(O)CH3
  771209.4810  0.0079 -4.5820 3 1020.9593636  59516140479 178 4    78 277 4      C-13-H3C(O)CH3
  771209.4810  0.0079 -4.5778 3 1020.9593636  59516140479 278 4    78 277 4      C-13-H3C(O)CH3
  771224.5317  0.4465 -5.2578 3  916.3255468  595161404583523 3    573622 3      C-13-H3C(O)CH3
  771228.4496  0.0130 -4.1221 3 1020.9354C72  59516140479 278 2    78 277 2      C-13-H3C(O)CH3
  771228.4496  0.0130 -4.5264 3 1020.9354C72  59516140479 178 2    78 277 2      C-13-H3C(O)CH3
  771228.4748  0.0130 -4.5264 3 1020.9354C72 -59516140479 278 2    78 177 2      C-13-H3C(O)CH3
  771228.4748  0.0110 -3.9889 3 1020.9359C72 -59516140479 178 1    78 177 1      C-13-H3C(O)CH3
  771228.4748  0.0130 -4.1221 3 1020.9354C72 -59516140479 178 2    78 177 2      C-13-H3C(O)CH3
  771228.4748  0.0110 -5.5756 3 1020.9359C72 -59516140479 278 1    78 177 1      C-13-H3C(O)CH3
  771228.5822  0.0110 -5.5756 3 1020.9359C72  59516140479 178 1    78 277 1      C-13-H3C(O)CH3
  771228.5822  0.0110 -3.9889 3 1020.9359C72  59516140479 278 1    78 277 1      C-13-H3C(O)CH3
  771247.3537  0.0079 -4.1779 3 1020.9121C72 -59516140479 278 0    78 177 0      C-13-H3C(O)CH3
  771247.3537  0.0079 -4.1779 3 1020.9121C72 -59516140479 178 0    78 277 0      C-13-H3C(O)CH3
  771247.5187  0.0079 -4.4104 3 1020.9121C72  59516140479 178 0    78 177 0      C-13-H3C(O)CH3
  771247.5187  0.0079 -4.4104 3 1020.9121C72  59516140479 278 0    78 277 0      C-13-H3C(O)CH3
  771251.5485  0.0195 -4.5147 3  998.9721B60 -59516140472 963 0    711062 0      C-13-H3C(O)CH3
  771251.5485  0.0195 -4.5147 3  998.9721B60 -595161404721063 0    71 962 0      C-13-H3C(O)CH3
  771251.5485  0.0195 -4.2142 3  998.9721B60 -595161404721063 0    711062 0      C-13-H3C(O)CH3
  771251.5485  0.0195 -4.2142 3  998.9721B60 -59516140472 963 0    71 962 0      C-13-H3C(O)CH3
  771269.2953  0.0361 -5.2346 3  998.9457B60  595161404721063 1    71 962 1      C-13-H3C(O)CH3
  771269.2953  0.0361 -4.0664 3  998.9457B60  595161404721063 1    711062 1      C-13-H3C(O)CH3
  771269.2953  0.0361 -4.0664 3  998.9457B60  59516140472 963 1    71 962 1      C-13-H3C(O)CH3
  771269.2953  0.0361 -5.2346 3  998.9457B60  59516140472 963 1    711062 1      C-13-H3C(O)CH3
  771269.3730  0.0351 -4.0394 3  998.9456B60  595161404721063 2    71 962 2      C-13-H3C(O)CH3
  771269.3730  0.0351 -4.0401 3  998.9456B60  59516140472 963 2    711062 2      C-13-H3C(O)CH3
  771287.1738  0.0222 -5.0441 3  998.9192580  595161404721063 3    711062 3      C-13-H3C(O)CH3
  771287.1738  0.0222 -4.4342 3  998.9192580  595161404721063 3    71 962 3      C-13-H3C(O)CH3
  771287.1738  0.0222 -5.0441 3  998.9192580  59516140472 963 3    71 962 3      C-13-H3C(O)CH3
  771287.1738  0.0222 -4.4342 3  998.9192580  59516140472 963 3    711062 3      C-13-H3C(O)CH3
  771287.1784  0.0222 -5.8273 3  998.9192580  595161404721063 4    71 962 4      C-13-H3C(O)CH3
  771287.1784  0.0222 -4.3532 3  998.9192580  59516140472 963 4    71 962 4      C-13-H3C(O)CH3
  771287.1784  0.0222 -5.8273 3  998.9192580  59516140472 963 4    711062 4      C-13-H3C(O)CH3
  771287.1784  0.0222 -4.3532 3  998.9192580  595161404721063 4    711062 4      C-13-H3C(O)CH3
  771291.0206  0.0192 -5.8454 3  197.3824424  5951614042624 3 1    2521 5 1      C-13-H3C(O)CH3
  771300.4868  0.0400 -4.4338 3  724.2074420  595161404523023 4    512922 4      C-13-H3C(O)CH3
  771308.4648  0.0401 -4.4338 3  724.2073420  595161404523023 3    512922 3      C-13-H3C(O)CH3
  771327.9477  0.0692 -4.2424 3  755.0539856  595161404533023 0    523122 0      C-13-H3C(O)CH3
  771334.6347  0.0088 -3.9349 3  507.2101696  595161404432914 1    422814 1      C-13-H3C(O)CH3
  771403.8370  0.4002 -5.2654 3  916.3203468  595161404583523 4    573622 4      C-13-H3C(O)CH3
  771421.7244  0.0114 -4.5074 3  507.2038348  595161404432914 3    422814 3      C-13-H3C(O)CH3
  771439.5079  0.0098 -3.7662 3  507.2223696 -595161404432914 2    422814 2      C-13-H3C(O)CH3
  771471.2336  0.0197 -5.8503 3  197.4491424  5951614042624 3 0    2521 4 0      C-13-H3C(O)CH3
  771471.3083  0.0197 -5.8503 3  197.4491424  5951614042624 2 0    2521 5 0      C-13-H3C(O)CH3
  771575.1156  0.0122 -4.0493 3  362.6991600  595161404372315 0    362016 0      C-13-H3C(O)CH3
  771592.5103  0.0120 -4.0487 3  362.6780600  595161404372315 1    362016 1      C-13-H3C(O)CH3
  771600.4910  0.0084 -4.7002 3  269.7318520  595161404322111 1    311814 1      C-13-H3C(O)CH3
  771630.2298  0.0081 -5.0005 3  269.7093260  595161404322111 4    311814 4      C-13-H3C(O)CH3
  771641.2537  0.0098 -3.9725 3  507.2216348  595161404432914 4    422814 4      C-13-H3C(O)CH3
  771649.1152  0.0086 -5.0015 3  269.7093260  595161404322111 3    311814 3      C-13-H3C(O)CH3
  771679.8070  0.0090 -4.6995 3  269.7485520  595161404322111 0    311814 0      C-13-H3C(O)CH3
  771681.9782  0.0068 -4.3022 3  307.3477284  595161404351718 4    341619 4      C-13-H3C(O)CH3
  771681.9856  0.0066 -4.3022 3  307.3477284  595161404351718 3    341619 3      C-13-H3C(O)CH3
  771700.6226  0.0061 -4.0013 3  307.3706568  595161404351718 2    341619 2      C-13-H3C(O)CH3
  771722.4336  0.0086 -4.6993 3  269.7260520  595161404322111 2    311814 2      C-13-H3C(O)CH3
  771731.9462  0.0068 -4.3021 3  307.3476284  595161404351818 4    341519 4      C-13-H3C(O)CH3
  771732.0820  0.0066 -4.3021 3  307.3476284  595161404351818 3    341519 3      C-13-H3C(O)CH3
  771733.1774  0.0060 -4.0013 3  307.3737568  595161404351718 1    341619 1      C-13-H3C(O)CH3
  771750.7251  0.0061 -4.0013 3  307.3706568  595161404351818 2    341519 2      C-13-H3C(O)CH3
  771751.8622  0.0056 -4.0014 3  307.3966568  595161404351718 0    341619 0      C-13-H3C(O)CH3
  771761.4545  0.0044 -3.3386 3  489.0386664 -5951614044133 8 0    4032 9 0      C-13-H3C(O)CH3
  771761.4545  0.0044 -3.3386 3  489.0386664 -5951614044133 9 0    4032 8 0      C-13-H3C(O)CH3
  771781.5384  0.0060 -4.0013 3  307.3737568  595161404351818 1    341519 1      C-13-H3C(O)CH3
  771800.2464  0.0056 -4.0013 3  307.3966568  595161404351818 0    341519 0      C-13-H3C(O)CH3
  771806.3724  0.0118 -4.0503 3  362.6677600  595161404372315 2    362016 2      C-13-H3C(O)CH3
  771812.3323  0.0104 -4.3507 3  362.6467300  595161404372315 4    362016 4      C-13-H3C(O)CH3
  771814.8601  0.0079 -3.9342 3  507.1586696 -595161404432915 1    422815 1      C-13-H3C(O)CH3
  771825.1532  0.0080 -3.7652 3  507.1604696  595161404432915 2    422815 2      C-13-H3C(O)CH3
  771826.2309  0.0126 -4.3507 3  362.6466300  595161404372315 3    362016 3      C-13-H3C(O)CH3
  771837.0394  0.0081 -3.9716 3  507.1391348  595161404432915 4    422815 4      C-13-H3C(O)CH3
  771843.8952  0.0050 -3.3386 3  489.0225664 -5951614044133 9 2    4032 9 2      C-13-H3C(O)CH3
  771847.3863  0.0051 -3.3385 3  489.0039664 -5951614044133 9 1    4032 9 1      C-13-H3C(O)CH3
  771862.4836  0.0050 -3.3386 3  489.0422664 -5951614044133 8 2    4032 8 2      C-13-H3C(O)CH3
  771920.4360  0.0050 -3.3384 3  489.0327664 -5951614044133 8 1    4032 8 1      C-13-H3C(O)CH3
  771930.7381  0.0069 -3.6396 3  488.9876332  5951614044133 9 4    4032 9 4      C-13-H3C(O)CH3
  771949.0681  0.0067 -3.6397 3  489.0074332  5951614044133 9 3    4032 9 3      C-13-H3C(O)CH3
  771980.1947  0.0240 -4.0769 3  942.2776A48  595161404651848 0    641747 0      C-13-H3C(O)CH3
  771980.1947  0.0240 -5.4118 3  942.2776A48  595161404651748 0    641747 0      C-13-H3C(O)CH3
  771980.1947  0.0240 -5.4118 3  942.2776A48  595161404651848 0    641847 0      C-13-H3C(O)CH3
  771980.1947  0.0240 -4.0769 3  942.2776A48  595161404651748 0    641847 0      C-13-H3C(O)CH3
  772003.5936  0.0067 -3.6395 3  489.0166332  5951614044133 8 3    4032 8 3      C-13-H3C(O)CH3
  772020.5247  0.0263 -4.1834 3  942.2743A48  595161404651748 1    641747 1      C-13-H3C(O)CH3
  772020.5247  0.0263 -4.6555 3  942.2743A48  595161404651748 1    641847 1      C-13-H3C(O)CH3
  772020.5247  0.0263 -4.6654 3  942.2743A48  595161404651848 1    641747 1      C-13-H3C(O)CH3
  772020.5247  0.0263 -4.1801 3  942.2743A48  595161404651848 1    641847 1      C-13-H3C(O)CH3
  772021.2160  0.0265 -4.3424 3  942.2743A48  595161404651748 2    641747 2      C-13-H3C(O)CH3
  772021.2160  0.0265 -4.3746 3  942.2743A48  595161404651748 2    641847 2      C-13-H3C(O)CH3
  772021.2160  0.0265 -4.3746 3  942.2743A48  595161404651848 2    641747 2      C-13-H3C(O)CH3
  772021.2160  0.0265 -4.3424 3  942.2743A48  595161404651848 2    641847 2      C-13-H3C(O)CH3
  772021.3645  0.0071 -3.6395 3  489.0363332  5951614044133 8 4    4032 8 4      C-13-H3C(O)CH3
  772055.7630  0.0101 -4.5061 3  507.1569348  595161404432915 3    422815 3      C-13-H3C(O)CH3
  772061.5889  0.0289 -4.3590 3  942.2709524  595161404651848 3    641747 3      C-13-H3C(O)CH3
  772061.5889  0.0289 -4.3590 3  942.2709524  595161404651748 3    641847 3      C-13-H3C(O)CH3
  772061.6598  0.0289 -4.7407 3  942.2709524  595161404651848 4    641747 4      C-13-H3C(O)CH3
  772061.6598  0.0289 -4.7407 3  942.2709524  595161404651748 4    641847 4      C-13-H3C(O)CH3
  772061.6598  0.0289 -4.5907 3  942.2709524  595161404651848 4    641847 4      C-13-H3C(O)CH3
  772061.6598  0.0289 -4.5907 3  942.2709524  595161404651748 4    641747 4      C-13-H3C(O)CH3
  772067.1904  0.0078 -3.9763 3  333.1134584  595161404361917 2    351818 2      C-13-H3C(O)CH3
  772089.6259  0.0087 -4.2770 3  333.0898292  595161404361917 3    351818 3      C-13-H3C(O)CH3
  772090.8909  0.0086 -4.2770 3  333.0898292  595161404361917 4    351818 4      C-13-H3C(O)CH3
  772111.4094  0.0064 -3.9764 3  333.1411584  595161404361917 0    351818 0      C-13-H3C(O)CH3
  772133.7778  0.0071 -3.9762 3  333.1175584  595161404361917 1    351818 1      C-13-H3C(O)CH3
  772197.0918  0.3084 -6.1046 3 1240.5845540  595161404674325 4    664422 4      C-13-H3C(O)CH3
  772204.1418  0.4489 -5.8492 3 1162.6323524  595161404654124 3    644223 3      C-13-H3C(O)CH3
  772295.8851  0.0135 -5.7940 3  203.1242228  595161404281910 4    271413 4      C-13-H3C(O)CH3
  772317.5134  0.3144 -6.0224 3 1240.5818540  595161404674325 3    664422 3      C-13-H3C(O)CH3
  772411.1411  0.0200 -4.3335 3 1006.8088B76 -59516140473 965 0    72 964 0      C-13-H3C(O)CH3
  772411.1411  0.0200 -4.3436 3 1006.8088B76 -59516140473 865 0    72 964 0      C-13-H3C(O)CH3
  772411.1411  0.0200 -4.3436 3 1006.8088B76 -59516140473 965 0    72 864 0      C-13-H3C(O)CH3
  772411.1411  0.0200 -4.3335 3 1006.8088B76 -59516140473 865 0    72 864 0      C-13-H3C(O)CH3
  772417.7391  0.3411 -5.9760 3 1162.6273524  595161404654124 4    644223 4      C-13-H3C(O)CH3
  772423.1596  0.0370 -4.0532 3 1006.7796B76  59516140473 965 1    72 864 1      C-13-H3C(O)CH3
  772423.1596  0.0370 -4.0532 3 1006.7796B76  59516140473 865 1    72 964 1      C-13-H3C(O)CH3
  772423.1596  0.0370 -5.4860 3 1006.7796B76  59516140473 865 1    72 864 1      C-13-H3C(O)CH3
  772423.1596  0.0370 -5.4860 3 1006.7796B76  59516140473 965 1    72 964 1      C-13-H3C(O)CH3
  772423.2832  0.0361 -4.1196 3 1006.7795B76  59516140473 865 2    72 964 2      C-13-H3C(O)CH3
  772423.2832  0.0361 -4.8013 3 1006.7795B76  59516140473 965 2    72 964 2      C-13-H3C(O)CH3
  772423.2832  0.0361 -4.1196 3 1006.7795B76  59516140473 965 2    72 864 2      C-13-H3C(O)CH3
  772423.2832  0.0361 -4.8013 3 1006.7795B76  59516140473 865 2    72 864 2      C-13-H3C(O)CH3
  772425.6969  0.4589 -4.9565 3  916.3030936  595161404583523 2    573622 2      C-13-H3C(O)CH3
  772435.0095  0.0211 -4.3428 3 1006.7503588  59516140473 965 4    72 964 4      C-13-H3C(O)CH3
  772435.0095  0.0211 -4.3428 3 1006.7503588  59516140473 865 4    72 864 4      C-13-H3C(O)CH3
  772435.0188  0.0211 -4.3424 3 1006.7503588  59516140473 965 3    72 864 3      C-13-H3C(O)CH3
  772435.0188  0.0211 -4.3424 3 1006.7503588  59516140473 865 3    72 964 3      C-13-H3C(O)CH3
  772444.3385  0.0055 -3.5944 3  507.1730696  595161404432914 0    422815 0      C-13-H3C(O)CH3
  772450.3913  0.0131 -4.8114 3 1024.5215644 -59516140480 080 3    79 179 3      C-13-H3C(O)CH3
  772450.3913  0.0131 -4.6327 3 1024.5215644 -59516140480 180 4    79 079 4      C-13-H3C(O)CH3
  772450.3913  0.0131 -4.5215 3 1024.5215644 -59516140480 080 4    79 079 4      C-13-H3C(O)CH3
  772450.3913  0.0131 -4.4208 3 1024.5215644 -59516140480 180 3    79 179 3      C-13-H3C(O)CH3
  772450.9522  0.0131 -4.4399 3 1024.5215644  59516140480 180 4    79 179 4      C-13-H3C(O)CH3
  772450.9522  0.0131 -4.7677 3 1024.5215644  59516140480 080 4    79 179 4      C-13-H3C(O)CH3
  772450.9719  0.0131 -4.8114 3 1024.5215644  59516140480 180 3    79 079 3      C-13-H3C(O)CH3
  772450.9719  0.0131 -4.4208 3 1024.5215644  59516140480 080 3    79 079 3      C-13-H3C(O)CH3
  772452.3171  0.3072 -4.9560 3  916.3023936  595161404583523 1    573622 1      C-13-H3C(O)CH3
  772453.6990  0.0191 -4.8079 3 1024.4590C88 -59516140480 180 1    79 079 1      C-13-H3C(O)CH3
  772453.6990  0.0191 -4.0398 3 1024.4590C88 -59516140480 180 1    79 179 1      C-13-H3C(O)CH3
  772453.6990  0.0231 -3.9871 3 1024.4588C88 -59516140480 080 2    79 079 2      C-13-H3C(O)CH3
  772453.6990  0.0231 -5.4207 3 1024.4588C88 -59516140480 080 2    79 179 2      C-13-H3C(O)CH3
  772453.6990  0.0191 -4.8079 3 1024.4590C88 -59516140480 080 1    79 179 1      C-13-H3C(O)CH3
  772453.6990  0.0191 -4.0398 3 1024.4590C88 -59516140480 080 1    79 079 1      C-13-H3C(O)CH3
  772453.6990  0.0231 -5.4207 3 1024.4588C88 -59516140480 180 2    79 079 2      C-13-H3C(O)CH3
  772453.6990  0.0231 -3.9871 3 1024.4588C88 -59516140480 180 2    79 179 2      C-13-H3C(O)CH3
  772456.4716  0.0148 -4.3055 3 1024.3964C88  59516140480 080 0    79 079 0      C-13-H3C(O)CH3
  772456.4716  0.0148 -4.3055 3 1024.3964C88  59516140480 180 0    79 179 0      C-13-H3C(O)CH3
  772456.5633  0.0148 -4.2414 3 1024.3964C88 -59516140480 080 0    79 179 0      C-13-H3C(O)CH3
  772456.5633  0.0148 -4.2414 3 1024.3964C88 -59516140480 180 0    79 079 0      C-13-H3C(O)CH3
  772477.6022  0.2959 -5.7759 3 1240.5386A80  595161404674325 2    664422 2      C-13-H3C(O)CH3
  772487.9278  0.0103 -5.7670 3  203.1241228  595161404281910 3    271413 3      C-13-H3C(O)CH3
  772515.4621  0.3346 -5.7676 3 1240.5434A80  595161404674325 1    664422 1      C-13-H3C(O)CH3
  772543.9416  0.0112 -5.4769 3  203.1369456  595161404281910 1    271413 1      C-13-H3C(O)CH3
  772550.0329  0.0047 -3.4403 3  496.9542680 -595161404423112 0    413011 0      C-13-H3C(O)CH3
  772555.1109  0.0047 -3.4403 3  496.9541680  595161404423111 0    413012 0      C-13-H3C(O)CH3
  772627.6421  0.0058 -3.4403 3  496.9288680 -595161404423112 1    413012 1      C-13-H3C(O)CH3
  772639.3019  0.4100 -5.9349 3 1201.2669532  595161404664224 3    654323 3      C-13-H3C(O)CH3
  772666.5065  0.0049 -3.4404 3  496.9709680 -595161404423111 2    413011 2      C-13-H3C(O)CH3
  772669.8399  0.0055 -3.4401 3  496.9415680 -595161404423112 2    413012 2      C-13-H3C(O)CH3
  772691.2793  0.0048 -3.4403 3  496.9527680 -595161404423111 1    413011 1      C-13-H3C(O)CH3
  772735.0898  0.3324 -6.0279 3 1201.2659532  595161404664224 4    654323 4      C-13-H3C(O)CH3
  772742.4932  0.0066 -3.7416 3  496.9453340  595161404423111 3    413011 3      C-13-H3C(O)CH3
  772745.5548  0.0073 -3.7411 3  496.9159340  595161404423112 4    413012 4      C-13-H3C(O)CH3
  772750.1699  0.3384 -5.7218 3 1240.4985A80  595161404674325 0    664422 0      C-13-H3C(O)CH3
  772751.2170  0.3365 -5.5959 3 1162.5914A48  595161404654124 1    644223 1      C-13-H3C(O)CH3
  772760.3553  0.3499 -5.5879 3 1162.5885A48  595161404654124 2    644223 2      C-13-H3C(O)CH3
  772805.9330  0.0060 -3.7414 3  496.9692340  595161404423111 4    413011 4      C-13-H3C(O)CH3
  772809.5659  0.0064 -3.7412 3  496.9399340  595161404423112 3    413012 3      C-13-H3C(O)CH3
  772827.7747  0.0331 -4.0164 3  507.1569348  595161404432914 3    422815 3      C-13-H3C(O)CH3
  772878.6921  0.0258 -3.8597 3  507.1586696  595161404432914 1    422815 1      C-13-H3C(O)CH3
  772902.2620  0.0103 -5.4677 3  203.1306456  595161404281910 2    271413 2      C-13-H3C(O)CH3
  772927.6782  0.0328 -4.1748 3  473.8438340  595161404422616 3    412517 3      C-13-H3C(O)CH3
  772928.3132  0.0065 -4.4624 3  250.3249268  595161404331221 4    321122 4      C-13-H3C(O)CH3
  772928.3145  0.0065 -4.4624 3  250.3249268  595161404331321 4    321022 4      C-13-H3C(O)CH3
  772928.7289  0.0057 -4.4624 3  250.3249268  595161404331221 3    321122 3      C-13-H3C(O)CH3
  772928.7302  0.0057 -4.4624 3  250.3249268  595161404331321 3    321022 3      C-13-H3C(O)CH3
  772962.6460  0.0288 -3.8749 3  473.8618680  595161404422616 2    412517 2      C-13-H3C(O)CH3
  772963.1340  0.0293 -4.1756 3  473.8433340  595161404422616 4    412517 4      C-13-H3C(O)CH3
  773006.4679  0.3273 -5.6561 3 1201.2229A64  595161404664224 2    654323 2      C-13-H3C(O)CH3
  773016.7545  0.0233 -4.1804 3  954.4839A64  595161404661750 0    651749 0      C-13-H3C(O)CH3
  773016.7545  0.0233 -4.6780 3  954.4839A64  595161404661650 0    651749 0      C-13-H3C(O)CH3
  773016.7545  0.0233 -4.1804 3  954.4839A64  595161404661650 0    651649 0      C-13-H3C(O)CH3
  773016.7545  0.0233 -4.6780 3  954.4839A64  595161404661750 0    651649 0      C-13-H3C(O)CH3
  773032.6804  0.3419 -5.6655 3 1201.2268A64  595161404664224 1    654323 1      C-13-H3C(O)CH3
  773051.9438  0.0106 -5.4628 3  203.1434456  595161404281910 0    271413 0      C-13-H3C(O)CH3
  773056.0724  0.0264 -4.8913 3  954.4787A64  595161404661650 1    651749 1      C-13-H3C(O)CH3
  773056.0724  0.0264 -4.1498 3  954.4787A64  595161404661650 1    651649 1      C-13-H3C(O)CH3
  773056.0724  0.0264 -4.7912 3  954.4787A64  595161404661750 1    651649 1      C-13-H3C(O)CH3
  773056.0724  0.0264 -4.1299 3  954.4787A64  595161404661750 1    651749 1      C-13-H3C(O)CH3
  773056.5886  0.0264 -4.5281 3  954.4786A64  595161404661650 2    651649 2      C-13-H3C(O)CH3
  773056.5886  0.0264 -4.2414 3  954.4786A64  595161404661650 2    651749 2      C-13-H3C(O)CH3
  773056.5886  0.0264 -4.5281 3  954.4786A64  595161404661750 2    651749 2      C-13-H3C(O)CH3
  773056.5886  0.0264 -4.2414 3  954.4786A64  595161404661750 2    651649 2      C-13-H3C(O)CH3
  773095.9474  0.0287 -5.0143 3  954.4734532  595161404661750 3    651649 3      C-13-H3C(O)CH3
  773095.9474  0.0287 -4.4707 3  954.4734532  595161404661650 3    651649 3      C-13-H3C(O)CH3
  773095.9474  0.0287 -5.0143 3  954.4734532  595161404661650 3    651749 3      C-13-H3C(O)CH3
  773095.9474  0.0287 -4.4707 3  954.4734532  595161404661750 3    651749 3      C-13-H3C(O)CH3
  773096.0140  0.0287 -4.3995 3  954.4734532  595161404661650 4    651749 4      C-13-H3C(O)CH3
  773096.0140  0.0287 -5.4381 3  954.4734532  595161404661750 4    651749 4      C-13-H3C(O)CH3
  773096.0140  0.0287 -4.3995 3  954.4734532  595161404661750 4    651649 4      C-13-H3C(O)CH3
  773096.0140  0.0287 -5.4381 3  954.4734532  595161404661650 4    651649 4      C-13-H3C(O)CH3
  773096.6065  0.0055 -4.1613 3  250.3388536  595161404331221 2    321122 2      C-13-H3C(O)CH3
  773096.6078  0.0055 -4.1613 3  250.3388536  595161404331321 2    321022 2      C-13-H3C(O)CH3
  773110.9430  0.0055 -4.1613 3  250.3403536  595161404331221 1    321122 1      C-13-H3C(O)CH3
  773110.9441  0.0055 -4.1613 3  250.3403536  595161404331321 1    321022 1      C-13-H3C(O)CH3
  773174.5269  0.0158 -3.8765 3  473.8656680 -595161404422616 1    412517 1      C-13-H3C(O)CH3
  773191.0720  0.3412 -5.5479 3 1162.5507A48  595161404654124 0    644223 0      C-13-H3C(O)CH3
  773195.4715  0.0155 -3.8772 3  473.8838680 -595161404422616 0    412517 0      C-13-H3C(O)CH3
  773197.9206  0.0070 -3.9756 3  333.1118584  595161404362017 2    351718 2      C-13-H3C(O)CH3
  773214.2080  0.0062 -3.9757 3  333.1395584  595161404362017 0    351718 0      C-13-H3C(O)CH3
  773218.6745  0.0077 -4.2763 3  333.0882292  595161404362017 4    351718 4      C-13-H3C(O)CH3
  773219.1501  0.0076 -4.2763 3  333.0882292  595161404362017 3    351718 3      C-13-H3C(O)CH3
  773235.1566  0.0066 -3.9755 3  333.1160584  595161404362017 1    351718 1      C-13-H3C(O)CH3
  773266.9316  0.0253 -4.1319 3  749.8165856  595161404533024 0    522923 0      C-13-H3C(O)CH3
  773278.5314  0.0053 -4.1610 3  250.3541536  595161404331221 0    321122 0      C-13-H3C(O)CH3
  773278.5326  0.0053 -4.1610 3  250.3541536  595161404331321 0    321022 0      C-13-H3C(O)CH3
  773294.5639  0.0453 -4.0805 3  507.1604696  595161404432914 2    422815 2      C-13-H3C(O)CH3
  773352.7281  0.3418 -5.6333 3 1201.1834A64  595161404664224 0    654323 0      C-13-H3C(O)CH3
  773420.7929  0.1556 -5.8955 3 1150.5046524  595161404653927 4    644024 4      C-13-H3C(O)CH3
  773442.8494  0.0217 -4.1322 3  749.8081856  595161404533024 1    522923 1      C-13-H3C(O)CH3
  773479.8178  0.0972 -5.8935 3 1150.5028524  595161404653927 3    644024 3      C-13-H3C(O)CH3
  773487.5535  0.0261 -4.1323 3  749.8054856  595161404533024 2    522923 2      C-13-H3C(O)CH3
  773530.4295  0.1192 -5.5959 3 1150.4867A48  595161404653927 1    644024 1      C-13-H3C(O)CH3
  773568.1375  0.3340 -4.9518 3  916.2825936  595161404583523 0    573622 0      C-13-H3C(O)CH3
  773579.6203  0.1213 -5.5964 3 1150.4863A48  595161404653927 2    644024 2      C-13-H3C(O)CH3
  773582.9465  0.0198 -4.0697 3 1014.1095B92  59516140474 767 0    73 766 0      C-13-H3C(O)CH3
  773582.9465  0.0198 -4.0697 3 1014.1095B92  59516140474 867 0    73 866 0      C-13-H3C(O)CH3
  773582.9465  0.0198 -5.1696 3 1014.1095B92  59516140474 867 0    73 766 0      C-13-H3C(O)CH3
  773582.9465  0.0198 -5.1696 3 1014.1095B92  59516140474 767 0    73 866 0      C-13-H3C(O)CH3
  773587.7985  0.0362 -4.9615 3 1014.0781B92  59516140474 767 1    73 866 1      C-13-H3C(O)CH3
  773587.7985  0.0362 -4.0913 3 1014.0781B92  59516140474 767 1    73 766 1      C-13-H3C(O)CH3
  773587.7985  0.0362 -4.9615 3 1014.0781B92  59516140474 867 1    73 766 1      C-13-H3C(O)CH3
  773587.7985  0.0362 -4.0913 3 1014.0781B92  59516140474 867 1    73 866 1      C-13-H3C(O)CH3
  773587.9742  0.0354 -4.0540 3 1014.0780B92  59516140474 767 2    73 866 2      C-13-H3C(O)CH3
  773587.9742  0.0354 -4.0540 3 1014.0780B92  59516140474 867 2    73 766 2      C-13-H3C(O)CH3
  773587.9742  0.0354 -5.4369 3 1014.0780B92  59516140474 867 2    73 866 2      C-13-H3C(O)CH3
  773587.9742  0.0354 -5.4369 3 1014.0780B92  59516140474 767 2    73 766 2      C-13-H3C(O)CH3
  773592.8151  0.0196 -4.3374 3 1014.0466596  59516140474 767 4    73 866 4      C-13-H3C(O)CH3
  773592.8151  0.0196 -5.7707 3 1014.0466596  59516140474 867 4    73 866 4      C-13-H3C(O)CH3
  773592.8151  0.0196 -4.3374 3 1014.0466596  59516140474 867 4    73 766 4      C-13-H3C(O)CH3
  773592.8151  0.0196 -5.7174 3 1014.0466596  59516140474 767 4    73 766 4      C-13-H3C(O)CH3
  773592.8385  0.0196 -4.4991 3 1014.0466596  59516140474 767 3    73 766 3      C-13-H3C(O)CH3
  773592.8385  0.0196 -4.8447 3 1014.0466596  59516140474 867 3    73 766 3      C-13-H3C(O)CH3
  773592.8385  0.0196 -4.8447 3 1014.0466596  59516140474 767 3    73 866 3      C-13-H3C(O)CH3
  773592.8385  0.0196 -4.4991 3 1014.0466596  59516140474 867 3    73 866 3      C-13-H3C(O)CH3
  773653.8105  0.1036 -5.5988 3 1150.4696A48  595161404653927 0    644024 0      C-13-H3C(O)CH3
  773664.5963  0.0205 -4.4336 3  749.7970428  595161404533024 4    522923 4      C-13-H3C(O)CH3
  773668.1001  0.0206 -4.4336 3  749.7969428  595161404533024 3    522923 3      C-13-H3C(O)CH3
  773946.0874  0.0566 -4.1347 3  698.7602824  595161404513022 0    502921 0      C-13-H3C(O)CH3
  774075.9859  0.0224 -4.1605 3  966.1417A80  595161404671552 0    661551 0      C-13-H3C(O)CH3
  774075.9859  0.0224 -4.1605 3  966.1417A80  595161404671652 0    661651 0      C-13-H3C(O)CH3
  774075.9859  0.0224 -4.7626 3  966.1417A80  595161404671652 0    661551 0      C-13-H3C(O)CH3
  774075.9859  0.0224 -4.7626 3  966.1417A80  595161404671552 0    661651 0      C-13-H3C(O)CH3
  774114.0213  0.0267 -4.3066 3  966.1343A80  595161404671552 1    661651 1      C-13-H3C(O)CH3
  774114.0213  0.0267 -4.4315 3  966.1343A80  595161404671552 1    661551 1      C-13-H3C(O)CH3
  774114.0213  0.0267 -4.4315 3  966.1343A80  595161404671652 1    661651 1      C-13-H3C(O)CH3
  774114.0213  0.0267 -4.3066 3  966.1343A80  595161404671652 1    661551 1      C-13-H3C(O)CH3
  774114.3839  0.0265 -5.0430 3  966.1342A80  595161404671652 2    661551 2      C-13-H3C(O)CH3
  774114.3839  0.0265 -4.1117 3  966.1342A80  595161404671652 2    661651 2      C-13-H3C(O)CH3
  774114.3839  0.0265 -4.1117 3  966.1342A80  595161404671552 2    661551 2      C-13-H3C(O)CH3
  774114.3839  0.0265 -5.0430 3  966.1342A80  595161404671552 2    661651 2      C-13-H3C(O)CH3
  774116.5034  0.0605 -4.6848 3  507.1391348  595161404432914 4    422815 4      C-13-H3C(O)CH3
  774152.4579  0.0282 -5.0622 3  966.1269540  595161404671552 3    661651 3      C-13-H3C(O)CH3
  774152.4579  0.0282 -5.0622 3  966.1269540  595161404671652 3    661551 3      C-13-H3C(O)CH3
  774152.4579  0.0282 -4.4618 3  966.1269540  595161404671652 3    661651 3      C-13-H3C(O)CH3
  774152.4579  0.0282 -4.4618 3  966.1269540  595161404671552 3    661551 3      C-13-H3C(O)CH3
  774152.5197  0.0283 -5.4783 3  966.1268540  595161404671652 4    661651 4      C-13-H3C(O)CH3
  774152.5197  0.0283 -4.3993 3  966.1268540  595161404671652 4    661551 4      C-13-H3C(O)CH3
  774152.5197  0.0283 -4.3993 3  966.1268540  595161404671552 4    661651 4      C-13-H3C(O)CH3
  774152.5197  0.0283 -5.4783 3  966.1268540  595161404671552 4    661551 4      C-13-H3C(O)CH3
  774283.1423  0.5033 -5.7617 3 1124.6755516  595161404644024 3    634123 3      C-13-H3C(O)CH3
  774379.2199  0.0461 -4.1347 3  698.7407824  595161404513022 1    502921 1      C-13-H3C(O)CH3
  774516.5133  0.0065 -3.1862 3  486.1562632  5951614043938 1 0    3837 1 0      C-13-H3C(O)CH3
  774516.5133  0.0065 -3.1862 3  486.1562632  5951614043938 2 0    3837 2 0      C-13-H3C(O)CH3
  774548.1469  0.0759 -4.1348 3  698.7329824  595161404513022 2    502921 2      C-13-H3C(O)CH3
  774557.2941  0.3655 -5.8519 3 1124.6681516  595161404644024 4    634123 4      C-13-H3C(O)CH3
  774626.8710  0.0067 -3.1860 3  486.0953632 -5951614043938 2 2    3837 2 2      C-13-H3C(O)CH3
  774669.3133  0.0080 -3.9816 3  358.8960600  595161404372216 0    361917 0      C-13-H3C(O)CH3
  774713.3072  0.0077 -3.9813 3  358.8732600  595161404372216 1    361917 1      C-13-H3C(O)CH3
  774724.2587  0.0070 -3.1859 3  486.1044632 -5951614043938 2 1    3837 2 1      C-13-H3C(O)CH3
  774731.9284  0.0073 -3.1860 3  486.1473632 -5951614043938 1 2    3837 1 2      C-13-H3C(O)CH3
  774736.7046  0.0078 -3.9817 3  358.8668600  595161404372216 2    361917 2      C-13-H3C(O)CH3
  774760.4973  0.0177 -4.5172 3 1020.8096604  59516140475 769 4    74 768 4      C-13-H3C(O)CH3
  774760.4973  0.0177 -4.8021 3 1020.8096604  59516140475 669 4    74 768 4      C-13-H3C(O)CH3
  774760.4973  0.0177 -4.8021 3 1020.8096604  59516140475 769 4    74 668 4      C-13-H3C(O)CH3
  774760.4973  0.0177 -4.5172 3 1020.8096604  59516140475 669 4    74 668 4      C-13-H3C(O)CH3
  774760.5330  0.0177 -4.8004 3 1020.8096604  59516140475 669 3    74 668 3      C-13-H3C(O)CH3
  774760.5330  0.0177 -4.5181 3 1020.8096604  59516140475 669 3    74 768 3      C-13-H3C(O)CH3
  774760.5330  0.0177 -4.5181 3 1020.8096604  59516140475 769 3    74 668 3      C-13-H3C(O)CH3
  774760.5330  0.0177 -4.8004 3 1020.8096604  59516140475 769 3    74 768 3      C-13-H3C(O)CH3
  774761.7228  0.0069 -3.1860 3  486.1752632 -5951614043938 1 1    3837 1 1      C-13-H3C(O)CH3
  774762.9278  0.0330 -4.0358 3 1020.8420C08  59516140475 769 1    74 668 1      C-13-H3C(O)CH3
  774762.9278  0.0330 -4.0358 3 1020.8420C08  59516140475 669 1    74 768 1      C-13-H3C(O)CH3
  774763.1417  0.0325 -4.0711 3 1020.8419C08  59516140475 669 2    74 668 2      C-13-H3C(O)CH3
  774763.1417  0.0325 -5.1297 3 1020.8419C08  59516140475 769 2    74 668 2      C-13-H3C(O)CH3
  774763.1417  0.0325 -5.1297 3 1020.8419C08  59516140475 669 2    74 768 2      C-13-H3C(O)CH3
  774763.1417  0.0325 -4.0711 3 1020.8419C08  59516140475 769 2    74 768 2      C-13-H3C(O)CH3
  774765.5453  0.0185 -4.0689 3 1020.8743C08  59516140475 769 0    74 668 0      C-13-H3C(O)CH3
  774765.5453  0.0185 -5.1564 3 1020.8743C08  59516140475 769 0    74 768 0      C-13-H3C(O)CH3
  774765.5453  0.0185 -5.1564 3 1020.8743C08  59516140475 669 0    74 668 0      C-13-H3C(O)CH3
  774765.5453  0.0185 -4.0689 3 1020.8743C08  59516140475 669 0    74 768 0      C-13-H3C(O)CH3
  774777.2741  0.0074 -4.2824 3  358.8440300  595161404372216 4    361917 4      C-13-H3C(O)CH3
  774781.6470  0.0076 -4.2824 3  358.8440300  595161404372216 3    361917 3      C-13-H3C(O)CH3
  774797.5609  0.0198 -4.0772 3  832.3287920  595161404572631 0    562730 0      C-13-H3C(O)CH3
  774797.6024  0.0198 -4.0772 3  832.3287920  595161404572731 0    562630 0      C-13-H3C(O)CH3
  774816.0248  0.3771 -6.0190 3 1240.5780540  595161404674324 3    664423 3      C-13-H3C(O)CH3
  774834.0672  0.0100 -3.4867 3  486.0437316  5951614043938 2 4    3837 2 4      C-13-H3C(O)CH3
  774846.8803  0.0209 -4.0773 3  832.3311920  595161404572631 1    562730 1      C-13-H3C(O)CH3
  774846.9288  0.0209 -4.0773 3  832.3311920  595161404572731 1    562630 1      C-13-H3C(O)CH3
  774851.9020  0.0225 -4.0773 3  832.3313920  595161404572631 2    562730 2      C-13-H3C(O)CH3
  774851.9488  0.0225 -4.0773 3  832.3313920  595161404572731 2    562630 2      C-13-H3C(O)CH3
  774871.4188  0.0094 -3.4868 3  486.1144316  5951614043938 1 3    3837 1 3      C-13-H3C(O)CH3
  774901.2878  0.0242 -4.3784 3  832.3337460  595161404572631 3    562730 3      C-13-H3C(O)CH3
  774901.3426  0.0242 -4.3784 3  832.3337460  595161404572731 3    562630 3      C-13-H3C(O)CH3
  774901.3897  0.0242 -4.3784 3  832.3337460  595161404572631 4    562730 4      C-13-H3C(O)CH3
  774901.4440  0.0242 -4.3784 3  832.3337460  595161404572731 4    562630 4      C-13-H3C(O)CH3
  774936.4976  0.4817 -6.1014 3 1240.5756540  595161404674324 4    664423 4      C-13-H3C(O)CH3
  774939.0122  0.0098 -3.4867 3  486.0955316  5951614043938 2 3    3837 2 3      C-13-H3C(O)CH3
  774976.5052  0.0660 -4.4359 3  698.7135412  595161404513022 4    502921 4      C-13-H3C(O)CH3
  774976.9905  0.0103 -3.4868 3  486.1662316  5951614043938 1 4    3837 1 4      C-13-H3C(O)CH3
  774987.6008  0.0214 -4.0725 3  849.7962936  595161404582533 0    572632 0      C-13-H3C(O)CH3
  774987.6015  0.0214 -4.0725 3  849.7962936  595161404582633 0    572532 0      C-13-H3C(O)CH3
  774992.7165  0.0664 -4.4358 3  698.7132412  595161404513022 3    502921 3      C-13-H3C(O)CH3
  774997.0462  0.3495 -5.4912 3 1124.6356A32  595161404644024 1    634123 1      C-13-H3C(O)CH3
  775017.2715  0.0181 -4.0869 3  814.1874904  595161404562729 0    552828 0      C-13-H3C(O)CH3
  775019.2683  0.0181 -4.0869 3  814.1873904  595161404562829 0    552728 0      C-13-H3C(O)CH3
  775034.5772  0.0225 -4.0725 3  849.7993936  595161404582533 1    572632 1      C-13-H3C(O)CH3
  775034.5780  0.0225 -4.0725 3  849.7993936  595161404582633 1    572532 1      C-13-H3C(O)CH3
  775038.3170  0.0239 -4.0725 3  849.7996936  595161404582533 2    572632 2      C-13-H3C(O)CH3
  775038.3177  0.0239 -4.0725 3  849.7996936  595161404582633 2    572532 2      C-13-H3C(O)CH3
  775045.8796  0.4193 -5.4876 3 1124.6335A32  595161404644024 2    634123 2      C-13-H3C(O)CH3
  775070.0488  0.4535 -5.7725 3 1240.5332A80  595161404674324 2    664423 2      C-13-H3C(O)CH3
  775070.0551  0.0193 -4.0870 3  814.1887904  595161404562729 1    552828 1      C-13-H3C(O)CH3
  775072.2709  0.0193 -4.0870 3  814.1887904  595161404562829 1    552728 1      C-13-H3C(O)CH3
  775077.1899  0.0211 -4.0870 3  814.1887904  595161404562729 2    552828 2      C-13-H3C(O)CH3
  775079.3801  0.0210 -4.0870 3  814.1886904  595161404562829 2    552728 2      C-13-H3C(O)CH3
  775085.3542  0.0256 -4.3736 3  849.8027468  595161404582533 3    572632 3      C-13-H3C(O)CH3
  775085.3551  0.0256 -4.3736 3  849.8027468  595161404582633 3    572532 3      C-13-H3C(O)CH3
  775085.4501  0.0256 -4.3736 3  849.8027468  595161404582533 4    572632 4      C-13-H3C(O)CH3
  775085.4511  0.0256 -4.3736 3  849.8027468  595161404582633 4    572532 4      C-13-H3C(O)CH3
  775130.0407  0.0227 -4.3881 3  814.1900452  595161404562729 3    552828 3      C-13-H3C(O)CH3
  775130.1570  0.0228 -4.3881 3  814.1900452  595161404562729 4    552828 4      C-13-H3C(O)CH3
  775131.9158  0.4031 -5.7643 3 1240.5378A80  595161404674324 1    664423 1      C-13-H3C(O)CH3
  775132.4710  0.0227 -4.3881 3  814.1899452  595161404562829 3    552728 3      C-13-H3C(O)CH3
  775132.5759  0.0227 -4.3881 3  814.1899452  595161404562829 4    552728 4      C-13-H3C(O)CH3
  775154.6478  0.0213 -4.1288 3  977.2538A96  595161404681454 0    671553 0      C-13-H3C(O)CH3
  775154.6478  0.0213 -4.1288 3  977.2538A96  595161404681554 0    671453 0      C-13-H3C(O)CH3
  775154.6478  0.0213 -4.9399 3  977.2538A96  595161404681554 0    671553 0      C-13-H3C(O)CH3
  775154.6478  0.0213 -4.9399 3  977.2538A96  595161404681454 0    671453 0      C-13-H3C(O)CH3
  775191.0315  0.0275 -5.0397 3  977.2440A96  595161404681454 1    671553 1      C-13-H3C(O)CH3
  775191.0315  0.0275 -4.1152 3  977.2440A96  595161404681454 1    671453 1      C-13-H3C(O)CH3
  775191.0315  0.0275 -4.1152 3  977.2440A96  595161404681554 1    671553 1      C-13-H3C(O)CH3
  775191.0315  0.0275 -5.0397 3  977.2440A96  595161404681554 1    671453 1      C-13-H3C(O)CH3
  775191.2642  0.0271 -4.8372 3  977.2439A96  595161404681454 2    671553 2      C-13-H3C(O)CH3
  775191.2642  0.0271 -4.1470 3  977.2439A96  595161404681454 2    671453 2      C-13-H3C(O)CH3
  775191.2642  0.0271 -4.1470 3  977.2439A96  595161404681554 2    671553 2      C-13-H3C(O)CH3
  775191.2642  0.0271 -4.8372 3  977.2439A96  595161404681554 2    671453 2      C-13-H3C(O)CH3
  775211.5727  0.3994 -6.1380 3 1413.0058B44  595161404714823 2    704921 2      C-13-H3C(O)CH3
  775227.6838  0.0277 -4.4509 3  977.2340548  595161404681554 3    671453 3      C-13-H3C(O)CH3
  775227.6838  0.0277 -5.1243 3  977.2340548  595161404681554 3    671553 3      C-13-H3C(O)CH3
  775227.6838  0.0277 -4.4509 3  977.2340548  595161404681454 3    671553 3      C-13-H3C(O)CH3
  775227.6838  0.0277 -5.1243 3  977.2340548  595161404681454 3    671453 3      C-13-H3C(O)CH3
  775227.7398  0.0277 -4.7811 3  977.2340548  595161404681454 4    671453 4      C-13-H3C(O)CH3
  775227.7398  0.0277 -4.5790 3  977.2340548  595161404681454 4    671553 4      C-13-H3C(O)CH3
  775227.7398  0.0277 -4.5790 3  977.2340548  595161404681554 4    671453 4      C-13-H3C(O)CH3
  775227.7398  0.0277 -4.7811 3  977.2340548  595161404681554 4    671553 4      C-13-H3C(O)CH3
  775313.6680  0.3635 -5.7183 3 1240.4947A80  595161404674324 0    664423 0      C-13-H3C(O)CH3
  775333.7224  0.4743 -6.1379 3 1412.9622B44  595161404714824 0    704921 0      C-13-H3C(O)CH3
  775350.5907  0.4746 -6.1379 3 1412.9622B44  595161404714823 0    704922 0      C-13-H3C(O)CH3
  775350.6722  0.4504 -6.1376 3 1413.0123B44  595161404714823 1    704921 1      C-13-H3C(O)CH3
  775436.4665  0.0229 -4.0708 3  866.6272952  595161404592535 0    582434 0      C-13-H3C(O)CH3
  775436.4665  0.0229 -4.0708 3  866.6272952  595161404592435 0    582534 0      C-13-H3C(O)CH3
  775481.7828  0.0240 -4.0709 3  866.6306952  595161404592535 1    582434 1      C-13-H3C(O)CH3
  775481.7828  0.0240 -4.0709 3  866.6306952  595161404592435 1    582534 1      C-13-H3C(O)CH3
  775484.6841  0.0252 -4.0709 3  866.6309952  595161404592535 2    582434 2      C-13-H3C(O)CH3
  775484.6841  0.0252 -4.0709 3  866.6309952  595161404592435 2    582534 2      C-13-H3C(O)CH3
  775521.5372  0.3927 -6.1379 3 1412.9710B44  595161404714824 2    704922 2      C-13-H3C(O)CH3
  775530.0571  0.0269 -4.3719 3  866.6344476  595161404592435 3    582534 3      C-13-H3C(O)CH3
  775530.0571  0.0269 -4.3719 3  866.6344476  595161404592535 3    582434 3      C-13-H3C(O)CH3
  775530.1488  0.0269 -4.3719 3  866.6344476  595161404592435 4    582534 4      C-13-H3C(O)CH3
  775530.1488  0.0269 -4.3719 3  866.6344476  595161404592535 4    582434 4      C-13-H3C(O)CH3
  775579.4861  0.0108 -5.9327 3  273.0109520  595161404322211 1    311913 1      C-13-H3C(O)CH3
  775606.6277  0.0134 -6.0993 3  272.9892260  595161404322211 3    311913 3      C-13-H3C(O)CH3
  775615.0295  0.3678 -5.4605 3 1124.5979A32  595161404644024 0    634123 0      C-13-H3C(O)CH3
  775697.7807  0.0082 -4.6418 3  218.1704260  59516140432 923 4    31 724 4      C-13-H3C(O)CH3
  775697.7807  0.0082 -4.6418 3  218.1704260  595161404321023 4    31 824 4      C-13-H3C(O)CH3
  775698.2146  0.0069 -4.6565 3  218.1703260  595161404321023 3    31 824 3      C-13-H3C(O)CH3
  775698.2146  0.0069 -6.1016 3  218.1703260  59516140432 923 3    31 824 3      C-13-H3C(O)CH3
  775698.2146  0.0069 -4.6565 3  218.1703260  59516140432 923 3    31 724 3      C-13-H3C(O)CH3
  775698.2146  0.0069 -6.1016 3  218.1703260  595161404321023 3    31 724 3      C-13-H3C(O)CH3
  775750.0164  0.4461 -6.1376 3 1412.9712B44  595161404714824 1    704922 1      C-13-H3C(O)CH3
  775916.0500  0.0167 -4.1048 3  795.3125888  595161404552827 0    542926 0      C-13-H3C(O)CH3
  775938.2232  0.0151 -4.8974 3 1027.0407612  59516140476 671 4    75 670 4      C-13-H3C(O)CH3
  775938.2232  0.0151 -4.4716 3 1027.0407612  59516140476 571 4    75 670 4      C-13-H3C(O)CH3
  775938.2232  0.0151 -4.4716 3 1027.0407612  59516140476 671 4    75 570 4      C-13-H3C(O)CH3
  775938.2232  0.0151 -4.8974 3 1027.0407612  59516140476 571 4    75 570 4      C-13-H3C(O)CH3
  775938.2666  0.0151 -4.3670 3 1027.0407612  59516140476 671 3    75 570 3      C-13-H3C(O)CH3
  775938.2666  0.0151 -4.3670 3 1027.0407612  59516140476 571 3    75 670 3      C-13-H3C(O)CH3
  775938.2666  0.0151 -5.4590 3 1027.0407612  59516140476 571 3    75 570 3      C-13-H3C(O)CH3
  775938.2666  0.0151 -5.4590 3 1027.0407612  59516140476 671 3    75 670 3      C-13-H3C(O)CH3
  775943.7952  0.0367 -3.9873 3  596.5574760  595161404472919 0    462818 0      C-13-H3C(O)CH3
  775948.3141  0.0272 -4.6812 3 1027.0721C24  59516140476 671 1    75 670 1      C-13-H3C(O)CH3
  775948.3141  0.0272 -4.1427 3 1027.0721C24  59516140476 571 1    75 670 1      C-13-H3C(O)CH3
  775948.5286  0.0270 -4.4955 3 1027.0719C24  59516140476 671 2    75 670 2      C-13-H3C(O)CH3
  775948.5286  0.0270 -4.2155 3 1027.0719C24  59516140476 571 2    75 670 2      C-13-H3C(O)CH3
  775948.7611  0.0272 -4.1427 3 1027.0721C24 -59516140476 671 1    75 570 1      C-13-H3C(O)CH3
  775948.7611  0.0272 -4.6812 3 1027.0721C24 -59516140476 571 1    75 570 1      C-13-H3C(O)CH3
  775948.7611  0.0270 -4.4955 3 1027.0719C24 -59516140476 571 2    75 570 2      C-13-H3C(O)CH3
  775948.7611  0.0270 -4.2155 3 1027.0719C24 -59516140476 671 2    75 570 2      C-13-H3C(O)CH3
  775957.3442  0.0159 -5.1910 3 1027.1033C24 -59516140476 571 0    75 570 0      C-13-H3C(O)CH3
  775957.3442  0.0159 -4.0636 3 1027.1033C24 -59516140476 671 0    75 570 0      C-13-H3C(O)CH3
  775958.5804  0.0159 -5.1910 3 1027.1033C24  59516140476 671 0    75 670 0      C-13-H3C(O)CH3
  775958.5804  0.0159 -4.0636 3 1027.1033C24  59516140476 571 0    75 670 0      C-13-H3C(O)CH3
  775972.6864  0.0179 -4.1049 3  795.3121888  595161404552827 1    542926 1      C-13-H3C(O)CH3
  775983.6211  0.0199 -4.1049 3  795.3117888  595161404552827 2    542926 2      C-13-H3C(O)CH3
  775987.5879  0.0164 -4.1047 3  795.3106888  595161404552927 0    542826 0      C-13-H3C(O)CH3
  776001.2990  0.0059 -6.0521 3  218.1712520  595161404321023 2    31 824 2      C-13-H3C(O)CH3
  776001.2990  0.0059 -4.3481 3  218.1712520  595161404321023 2    31 724 2      C-13-H3C(O)CH3
  776001.2990  0.0059 -4.3481 3  218.1712520  59516140432 923 2    31 824 2      C-13-H3C(O)CH3
  776001.2990  0.0059 -6.0522 3  218.1712520  59516140432 923 2    31 724 2      C-13-H3C(O)CH3
  776010.9994  0.0062 -4.3553 3  218.1721520  59516140432 923 1    31 724 1      C-13-H3C(O)CH3
  776010.9994  0.0062 -4.3553 3  218.1721520  595161404321023 1    31 824 1      C-13-H3C(O)CH3
  776010.9994  0.0062 -5.7927 3  218.1721520  595161404321023 1    31 724 1      C-13-H3C(O)CH3
  776010.9994  0.0062 -5.7927 3  218.1721520  59516140432 923 1    31 824 1      C-13-H3C(O)CH3
  776040.1801  0.0215 -4.4061 3  795.3113444  595161404552827 3    542926 3      C-13-H3C(O)CH3
  776040.4190  0.0215 -4.4061 3  795.3113444  595161404552827 4    542926 4      C-13-H3C(O)CH3
  776049.2524  0.0176 -4.1048 3  795.3102888  595161404552927 1    542826 1      C-13-H3C(O)CH3
  776058.4287  0.0243 -4.1705 3  882.8464968  595161404602337 0    592336 0      C-13-H3C(O)CH3
  776058.4287  0.0243 -4.7607 3  882.8464968  595161404602437 0    592336 0      C-13-H3C(O)CH3
  776058.4287  0.0243 -4.1668 3  882.8464968  595161404602437 0    592436 0      C-13-H3C(O)CH3
  776058.4287  0.0243 -4.7756 3  882.8464968  595161404602337 0    592436 0      C-13-H3C(O)CH3
  776060.1955  0.0190 -4.1048 3  795.3097888  595161404552927 2    542826 2      C-13-H3C(O)CH3
  776102.5212  0.0254 -6.0603 3  882.8499968  595161404602337 1    592336 1      C-13-H3C(O)CH3
  776102.5212  0.0254 -6.1400 3  882.8499968  595161404602437 1    592436 1      C-13-H3C(O)CH3
  776102.5212  0.0254 -4.0757 3  882.8499968  595161404602437 1    592336 1      C-13-H3C(O)CH3
  776102.5212  0.0254 -4.0750 3  882.8499968  595161404602337 1    592436 1      C-13-H3C(O)CH3
  776104.8403  0.0263 -4.0713 3  882.8502968  595161404602437 2    592336 2      C-13-H3C(O)CH3
  776104.8403  0.0263 -4.0715 3  882.8502968  595161404602337 2    592436 2      C-13-H3C(O)CH3
  776122.1471  0.0206 -4.4060 3  795.3092444  595161404552927 3    542826 3      C-13-H3C(O)CH3
  776122.1647  0.0206 -4.4060 3  795.3092444  595161404552927 4    542826 4      C-13-H3C(O)CH3
  776148.9865  0.0280 -4.3909 3  882.8536484  595161404602437 3    592336 3      C-13-H3C(O)CH3
  776148.9865  0.0280 -5.7505 3  882.8536484  595161404602337 3    592336 3      C-13-H3C(O)CH3
  776148.9865  0.0280 -4.3900 3  882.8536484  595161404602337 3    592436 3      C-13-H3C(O)CH3
  776148.9865  0.0280 -5.7704 3  882.8536484  595161404602437 3    592436 3      C-13-H3C(O)CH3
  776149.0747  0.0280 -4.3758 3  882.8536484  595161404602437 4    592336 4      C-13-H3C(O)CH3
  776149.0747  0.0280 -4.3723 3  882.8536484  595161404602337 4    592436 4      C-13-H3C(O)CH3
  776223.8284  0.0142 -5.4422 3  232.3008236  5951614042923 6 3    2820 8 3      C-13-H3C(O)CH3
  776250.3747  0.0205 -4.0851 3  987.8226B12  595161404691456 0    681455 0      C-13-H3C(O)CH3
  776250.3747  0.0205 -5.5047 3  987.8226B12  595161404691356 0    681455 0      C-13-H3C(O)CH3
  776250.3747  0.0205 -5.5047 3  987.8226B12  595161404691456 0    681355 0      C-13-H3C(O)CH3
  776250.3747  0.0205 -4.0851 3  987.8226B12  595161404691356 0    681355 0      C-13-H3C(O)CH3
  776259.8732  0.0164 -5.4117 3  232.3194236  5951614042923 6 4    2820 8 4      C-13-H3C(O)CH3
  776284.6301  0.0288 -4.1548 3  987.8099B12  595161404691456 1    681355 1      C-13-H3C(O)CH3
  776284.6301  0.0288 -4.8145 3  987.8099B12  595161404691456 1    681455 1      C-13-H3C(O)CH3
  776284.6301  0.0288 -4.1548 3  987.8099B12  595161404691356 1    681455 1      C-13-H3C(O)CH3
  776284.6301  0.0288 -4.8145 3  987.8099B12  595161404691356 1    681355 1      C-13-H3C(O)CH3
  776284.7602  0.0282 -5.2163 3  987.8098B12  595161404691456 2    681355 2      C-13-H3C(O)CH3
  776284.7602  0.0282 -4.1009 3  987.8098B12  595161404691456 2    681455 2      C-13-H3C(O)CH3
  776284.7602  0.0282 -4.1009 3  987.8098B12  595161404691356 2    681355 2      C-13-H3C(O)CH3
  776284.7602  0.0282 -5.2163 3  987.8098B12  595161404691356 2    681455 2      C-13-H3C(O)CH3
  776313.5065  0.0060 -5.5205 3  218.1729520  59516140432 923 0    31 724 0      C-13-H3C(O)CH3
  776313.5065  0.0060 -4.3688 3  218.1729520  59516140432 923 0    31 824 0      C-13-H3C(O)CH3
  776313.5065  0.0060 -4.3688 3  218.1729520  595161404321023 0    31 724 0      C-13-H3C(O)CH3
  776313.5065  0.0060 -5.5211 3  218.1729520  595161404321023 0    31 824 0      C-13-H3C(O)CH3
  776319.0486  0.0270 -5.8830 3  987.7971556  595161404691456 3    681455 3      C-13-H3C(O)CH3
  776319.0486  0.0270 -5.8830 3  987.7971556  595161404691356 3    681355 3      C-13-H3C(O)CH3
  776319.0486  0.0270 -4.3834 3  987.7971556  595161404691356 3    681455 3      C-13-H3C(O)CH3
  776319.0486  0.0270 -4.3834 3  987.7971556  595161404691456 3    681355 3      C-13-H3C(O)CH3
  776319.0978  0.0270 -4.7554 3  987.7971556  595161404691456 4    681455 4      C-13-H3C(O)CH3
  776319.0978  0.0270 -4.6001 3  987.7971556  595161404691456 4    681355 4      C-13-H3C(O)CH3
  776319.0978  0.0270 -4.7554 3  987.7971556  595161404691356 4    681355 4      C-13-H3C(O)CH3
  776319.0978  0.0270 -4.6001 3  987.7971556  595161404691356 4    681455 4      C-13-H3C(O)CH3
  776339.4810  0.0314 -3.9863 3  596.5369760  595161404472919 1    462818 1      C-13-H3C(O)CH3
  776377.1950  0.0049 -3.2447 3  489.9187648  5951614044036 4 0    3935 5 0      C-13-H3C(O)CH3
  776377.1950  0.0049 -3.2447 3  489.9187648  5951614044036 5 0    3935 4 0      C-13-H3C(O)CH3
  776450.6239  0.0051 -3.2447 3  489.8800648 -5951614044036 5 2    3935 5 2      C-13-H3C(O)CH3
  776518.3881  0.0052 -3.2445 3  489.8707648 -5951614044036 5 1    3935 5 1      C-13-H3C(O)CH3
  776520.6749  0.0053 -3.2446 3  489.9082648 -5951614044036 4 2    3935 4 2      C-13-H3C(O)CH3
  776520.7552  0.0091 -4.7045 3  273.0109520  595161404322210 1    311913 1      C-13-H3C(O)CH3
  776548.0270  0.0122 -5.1146 3  232.3292472  5951614042923 6 1    2820 8 1      C-13-H3C(O)CH3
  776553.4885  0.0107 -4.9980 3  272.9891260  595161404322210 4    311913 4      C-13-H3C(O)CH3
  776584.4563  0.0053 -3.2445 3  489.9207648 -5951614044036 4 1    3935 4 1      C-13-H3C(O)CH3
  776590.7790  0.0134 -5.0149 3  272.9892260  595161404322210 3    311913 3      C-13-H3C(O)CH3
  776592.0821  0.0076 -3.5455 3  489.8320324  5951614044036 5 4    3935 5 4      C-13-H3C(O)CH3
  776608.7827  0.0141 -5.4062 3  232.2655236  5951614042923 7 4    2820 9 4      C-13-H3C(O)CH3
  776641.2306  0.0140 -5.4434 3  232.2841236  5951614042923 7 3    2820 9 3      C-13-H3C(O)CH3
  776649.7894  0.0562 -3.9855 3  596.5250760  595161404472919 2    462818 2      C-13-H3C(O)CH3
  776657.4785  0.0073 -3.5454 3  489.8821324  5951614044036 4 3    3935 4 3      C-13-H3C(O)CH3
  776661.3591  0.0075 -3.5454 3  489.8603324  5951614044036 5 3    3935 5 3      C-13-H3C(O)CH3
  776727.1125  0.0074 -3.5453 3  489.9101324  5951614044036 4 4    3935 4 4      C-13-H3C(O)CH3
  776737.3871  0.0089 -4.6811 3  273.0279520  595161404322210 0    311913 0      C-13-H3C(O)CH3
  776793.0473  0.0093 -4.6824 3  273.0063520  595161404322210 2    311913 2      C-13-H3C(O)CH3
  776801.3150  0.0255 -4.0754 3  898.4712984  595161404612239 0    602338 0      C-13-H3C(O)CH3
  776801.3150  0.0255 -4.0754 3  898.4712984  595161404612339 0    602238 0      C-13-H3C(O)CH3
  776844.4795  0.0265 -4.0737 3  898.4744984  595161404612339 1    602238 1      C-13-H3C(O)CH3
  776844.4795  0.0265 -4.0736 3  898.4744984  595161404612239 1    602238 1      C-13-H3C(O)CH3
  776846.3711  0.0273 -4.0831 3  898.4746984  595161404612339 2    602238 2      C-13-H3C(O)CH3
  776846.3711  0.0273 -4.0739 3  898.4746984  595161404612239 2    602338 2      C-13-H3C(O)CH3
  776846.3711  0.0273 -5.7164 3  898.4746984  595161404612339 2    602338 2      C-13-H3C(O)CH3
  776874.4434  0.3488 -6.0301 3 1280.5267A96  595161404684425 2    674522 2      C-13-H3C(O)CH3
  776889.5868  0.0290 -4.3760 3  898.4778492  595161404612239 3    602338 3      C-13-H3C(O)CH3
  776889.5868  0.0290 -4.3760 3  898.4778492  595161404612339 3    602238 3      C-13-H3C(O)CH3
  776889.6719  0.0291 -4.3825 3  898.4778492  595161404612239 4    602238 4      C-13-H3C(O)CH3
  776889.6719  0.0291 -4.3741 3  898.4778492  595161404612339 4    602338 4      C-13-H3C(O)CH3
  776889.6719  0.0291 -6.0936 3  898.4778492  595161404612339 4    602238 4      C-13-H3C(O)CH3
  776890.3319  0.3789 -6.1287 3 1280.5657548  595161404684425 3    674522 3      C-13-H3C(O)CH3
  776907.5857  0.0124 -5.1298 3  232.3304472  5951614042923 6 2    2820 8 2      C-13-H3C(O)CH3
  776909.4002  0.0117 -5.1126 3  232.2946472  5951614042923 7 1    2820 9 1      C-13-H3C(O)CH3
  776928.5839  0.3918 -5.9850 3 1280.5327A96  595161404684425 1    674522 1      C-13-H3C(O)CH3
  776953.8252  0.0125 -5.1264 3  232.3091472  5951614042923 7 2    2820 9 2      C-13-H3C(O)CH3
  777006.1852  0.0502 -4.2862 3  596.5050380  595161404472919 4    462818 4      C-13-H3C(O)CH3
  777075.9017  0.0571 -4.2848 3  596.5042380  595161404472919 3    462818 3      C-13-H3C(O)CH3
  777094.5648  0.0123 -5.1091 3  232.3434472  5951614042923 7 0    2820 8 0      C-13-H3C(O)CH3
  777126.4799  0.0121 -5.6159 3 1032.7416620  59516140477 473 4    76 572 4      C-13-H3C(O)CH3
  777126.4799  0.0121 -4.3533 3 1032.7416620  59516140477 473 4    76 472 4      C-13-H3C(O)CH3
  777126.4799  0.0121 -4.3533 3 1032.7416620  59516140477 573 4    76 572 4      C-13-H3C(O)CH3
  777126.4799  0.0121 -5.6159 3 1032.7416620  59516140477 573 4    76 472 4      C-13-H3C(O)CH3
  777126.5224  0.0121 -4.3676 3 1032.7416620  59516140477 573 3    76 472 3      C-13-H3C(O)CH3
  777126.5224  0.0121 -5.4137 3 1032.7416620  59516140477 573 3    76 572 3      C-13-H3C(O)CH3
  777126.5224  0.0121 -5.4137 3 1032.7416620  59516140477 473 3    76 472 3      C-13-H3C(O)CH3
  777126.5224  0.0121 -4.3676 3 1032.7416620  59516140477 473 3    76 572 3      C-13-H3C(O)CH3
  777143.7118  0.0193 -5.3235 3 1032.7688C40  59516140477 573 1    76 572 1      C-13-H3C(O)CH3
  777143.7118  0.0193 -4.0518 3 1032.7688C40  59516140477 473 1    76 572 1      C-13-H3C(O)CH3
  777143.8696  0.0195 -4.0312 3 1032.7686C40  59516140477 573 2    76 572 2      C-13-H3C(O)CH3
  777144.0652  0.0193 -5.3235 3 1032.7688C40 -59516140477 473 1    76 472 1      C-13-H3C(O)CH3
  777144.0652  0.0195 -4.0312 3 1032.7686C40 -59516140477 473 2    76 472 2      C-13-H3C(O)CH3
  777144.0652  0.0193 -4.0518 3 1032.7688C40 -59516140477 573 1    76 472 1      C-13-H3C(O)CH3
  777160.8156  0.0122 -4.0340 3 1032.7958C40 -59516140477 473 0    76 472 0      C-13-H3C(O)CH3
  777160.8156  0.0122 -5.9913 3 1032.7958C40 -59516140477 573 0    76 472 0      C-13-H3C(O)CH3
  777161.0557  0.0122 -4.0340 3 1032.7958C40  59516140477 573 0    76 572 0      C-13-H3C(O)CH3
  777161.0557  0.0122 -5.9913 3 1032.7958C40  59516140477 473 0    76 572 0      C-13-H3C(O)CH3
  777199.0706  0.3841 -5.8053 3 1280.4843A96  595161404684425 0    674522 0      C-13-H3C(O)CH3
  777202.7838  0.0122 -4.9806 3  185.3423252  59516140431 625 4    30 426 4      C-13-H3C(O)CH3
  777202.7838  0.0122 -4.9806 3  185.3423252  59516140431 725 4    30 526 4      C-13-H3C(O)CH3
  777202.7838  0.0122 -5.9636 3  185.3423252  59516140431 625 4    30 526 4      C-13-H3C(O)CH3
  777202.7838  0.0122 -5.9636 3  185.3423252  59516140431 725 4    30 426 4      C-13-H3C(O)CH3
  777202.9901  0.0105 -4.9430 3  185.3423252  59516140431 725 3    30 426 3      C-13-H3C(O)CH3
  777202.9901  0.0105 -4.9430 3  185.3423252  59516140431 625 3    30 526 3      C-13-H3C(O)CH3
  777358.9857  0.0123 -5.1089 3  232.3346472  5951614042923 6 0    2820 9 0      C-13-H3C(O)CH3
  777361.4485  0.0199 -5.8795 3  997.8499B28  595161404701358 0    691257 0      C-13-H3C(O)CH3
  777361.4485  0.0199 -4.0777 3  997.8499B28  595161404701358 0    691357 0      C-13-H3C(O)CH3
  777361.4485  0.0199 -5.8795 3  997.8499B28  595161404701258 0    691357 0      C-13-H3C(O)CH3
  777361.4485  0.0199 -4.0777 3  997.8499B28  595161404701258 0    691257 0      C-13-H3C(O)CH3
  777392.9860  0.0309 -4.1817 3  997.8342B28  595161404701358 1    691357 1      C-13-H3C(O)CH3
  777392.9860  0.0309 -4.7183 3  997.8342B28  595161404701358 1    691257 1      C-13-H3C(O)CH3
  777392.9860  0.0309 -4.1817 3  997.8342B28  595161404701258 1    691257 1      C-13-H3C(O)CH3
  777392.9860  0.0309 -4.7183 3  997.8342B28  595161404701258 1    691357 1      C-13-H3C(O)CH3
  777393.0447  0.0301 -4.6735 3  997.8340B28  595161404701258 2    691357 2      C-13-H3C(O)CH3
  777393.0447  0.0301 -4.6735 3  997.8340B28  595161404701358 2    691257 2      C-13-H3C(O)CH3
  777393.0447  0.0301 -4.1957 3  997.8340B28  595161404701258 2    691257 2      C-13-H3C(O)CH3
  777393.0447  0.0301 -4.1957 3  997.8340B28  595161404701358 2    691357 2      C-13-H3C(O)CH3
  777424.6120  0.0262 -5.2670 3  997.8183564  595161404701258 3    691357 3      C-13-H3C(O)CH3
  777424.6120  0.0262 -5.2670 3  997.8183564  595161404701358 3    691257 3      C-13-H3C(O)CH3
  777424.6120  0.0262 -4.4310 3  997.8183564  595161404701358 3    691357 3      C-13-H3C(O)CH3
  777424.6120  0.0262 -4.4310 3  997.8183564  595161404701258 3    691257 3      C-13-H3C(O)CH3
  777424.6530  0.0263 -5.0948 3  997.8182564  595161404701358 4    691257 4      C-13-H3C(O)CH3
  777424.6530  0.0263 -4.4630 3  997.8182564  595161404701258 4    691257 4      C-13-H3C(O)CH3
  777424.6530  0.0263 -4.4630 3  997.8182564  595161404701358 4    691357 4      C-13-H3C(O)CH3
  777424.6530  0.0263 -5.0948 3  997.8182564  595161404701258 4    691357 4      C-13-H3C(O)CH3
  777447.7551  0.4428 -5.8462 3 1156.1949524  595161404654026 4    644123 4      C-13-H3C(O)CH3
  777450.0771  0.0194 -4.1399 3  775.6099872  595161404542925 0    533024 0      C-13-H3C(O)CH3
  777484.4992  0.0200 -4.1403 3  775.6074872  595161404542925 1    533024 1      C-13-H3C(O)CH3
  777499.1695  0.0253 -4.1403 3  775.6062872  595161404542925 2    533024 2      C-13-H3C(O)CH3
  777531.6946  0.0257 -4.4417 3  775.6037436  595161404542925 3    533024 3      C-13-H3C(O)CH3
  777533.4534  0.0255 -4.4417 3  775.6037436  595161404542925 4    533024 4      C-13-H3C(O)CH3
  777595.6101  0.2791 -5.8254 3 1156.1907524  595161404654026 3    644123 3      C-13-H3C(O)CH3
  777631.6734  0.0264 -4.0776 3  913.5140A00  595161404622241 0    612140 0      C-13-H3C(O)CH3
  777631.6734  0.0264 -4.0776 3  913.5140A00  595161404622141 0    612240 0      C-13-H3C(O)CH3
  777674.1104  0.0274 -4.0869 3  913.5168A00  595161404622141 1    612140 1      C-13-H3C(O)CH3
  777674.1104  0.0274 -5.6785 3  913.5168A00  595161404622141 1    612240 1      C-13-H3C(O)CH3
  777674.1104  0.0274 -4.0869 3  913.5168A00  595161404622241 1    612240 1      C-13-H3C(O)CH3
  777674.1104  0.0274 -5.6785 3  913.5168A00  595161404622241 1    612140 1      C-13-H3C(O)CH3
  777675.6701  0.0281 -4.3290 3  913.5170A00  595161404622141 2    612240 2      C-13-H3C(O)CH3
  777675.6701  0.0281 -4.4307 3  913.5170A00  595161404622141 2    612140 2      C-13-H3C(O)CH3
  777675.6701  0.0281 -4.4307 3  913.5170A00  595161404622241 2    612240 2      C-13-H3C(O)CH3
  777675.6701  0.0281 -4.3290 3  913.5170A00  595161404622241 2    612140 2      C-13-H3C(O)CH3
  777690.9339  0.0097 -4.9757 3  185.3212504  59516140431 625 2    30 526 2      C-13-H3C(O)CH3
  777690.9339  0.0097 -4.9757 3  185.3212504  59516140431 725 2    30 426 2      C-13-H3C(O)CH3
  777690.9339  0.0097 -4.9010 3  185.3212504  59516140431 725 2    30 526 2      C-13-H3C(O)CH3
  777690.9339  0.0097 -4.9010 3  185.3212504  59516140431 625 2    30 426 2      C-13-H3C(O)CH3
  777696.8397  0.0104 -4.9721 3  185.3218504  59516140431 625 1    30 426 1      C-13-H3C(O)CH3
  777696.8397  0.0104 -4.9721 3  185.3218504  59516140431 725 1    30 526 1      C-13-H3C(O)CH3
  777696.8397  0.0104 -4.9042 3  185.3218504  59516140431 625 1    30 526 1      C-13-H3C(O)CH3
  777696.8397  0.0104 -4.9042 3  185.3218504  59516140431 725 1    30 426 1      C-13-H3C(O)CH3
  777718.1563  0.0299 -4.3775 3  913.5197500  595161404622241 3    612240 3      C-13-H3C(O)CH3
  777718.1563  0.0299 -4.3775 3  913.5197500  595161404622141 3    612140 3      C-13-H3C(O)CH3
  777718.2387  0.0299 -4.4029 3  913.5197500  595161404622141 4    612140 4      C-13-H3C(O)CH3
  777718.2387  0.0299 -5.6118 3  913.5197500  595161404622241 4    612140 4      C-13-H3C(O)CH3
  777718.2387  0.0299 -4.3774 3  913.5197500  595161404622241 4    612240 4      C-13-H3C(O)CH3
  777892.4778  0.2453 -5.5314 3 1156.1607A48  595161404654026 1    644123 1      C-13-H3C(O)CH3
  777904.8221  0.0185 -5.6610 3  151.8860244  59516140430 327 3    29 228 3      C-13-H3C(O)CH3
  777904.8221  0.0185 -5.6610 3  151.8860244  59516140430 427 3    29 128 3      C-13-H3C(O)CH3
  777905.3541  0.0204 -5.5528 3  151.8860244  59516140430 427 4    29 128 4      C-13-H3C(O)CH3
  777905.3541  0.0204 -5.5528 3  151.8860244  59516140430 327 4    29 228 4      C-13-H3C(O)CH3
  777934.7430  0.0515 -5.5347 3  512.0128696  595161404433014 2    422913 2      C-13-H3C(O)CH3
  777952.5162  0.0091 -5.9747 3  164.1885424  595161404261412 2    251115 2      C-13-H3C(O)CH3
  777960.5182  0.3374 -5.5295 3 1156.1573A48  595161404654026 2    644123 2      C-13-H3C(O)CH3
  777990.0365  0.0046 -3.3159 3  495.3417664 -5951614044134 7 0    4033 8 0      C-13-H3C(O)CH3
  777990.0365  0.0046 -3.3159 3  495.3417664 -5951614044134 8 0    4033 7 0      C-13-H3C(O)CH3
  778067.4597  0.0051 -3.3159 3  495.3221664 -5951614044134 8 2    4033 8 2      C-13-H3C(O)CH3
  778089.7212  0.0051 -3.3158 3  495.3040664 -5951614044134 8 1    4033 8 1      C-13-H3C(O)CH3
  778093.5374  0.0052 -3.3159 3  495.3416664 -5951614044134 7 2    4033 7 2      C-13-H3C(O)CH3
  778131.2075  0.0091 -5.9743 3  164.1909424  595161404261412 1    251115 1      C-13-H3C(O)CH3
  778147.7900  0.3631 -6.1271 3 1280.5637548  595161404684424 3    674523 3      C-13-H3C(O)CH3
  778158.2444  0.0053 -3.3157 3  495.3375664 -5951614044134 7 1    4033 7 1      C-13-H3C(O)CH3
  778167.9833  0.0070 -3.6169 3  495.2842332  5951614044134 8 4    4033 8 4      C-13-H3C(O)CH3
  778183.7674  0.0092 -4.6864 3  185.3008504  59516140431 625 0    30 426 0      C-13-H3C(O)CH3
  778183.7674  0.0092 -5.5867 3  185.3008504  59516140431 625 0    30 526 0      C-13-H3C(O)CH3
  778183.7674  0.0092 -4.6864 3  185.3008504  59516140431 725 0    30 526 0      C-13-H3C(O)CH3
  778183.7674  0.0092 -5.5867 3  185.3008504  59516140431 725 0    30 426 0      C-13-H3C(O)CH3
  778193.5512  0.0070 -3.6169 3  495.3039332  5951614044134 8 3    4033 8 3      C-13-H3C(O)CH3
  778220.5880  0.0087 -5.9737 3  164.1893424  595161404261412 0    251115 0      C-13-H3C(O)CH3
  778236.0358  0.0070 -3.6168 3  495.3179332  5951614044134 7 3    4033 7 3      C-13-H3C(O)CH3
  778261.2850  0.0075 -3.6168 3  495.3374332  5951614044134 7 4    4033 7 4      C-13-H3C(O)CH3
  778270.4164  0.0341 -5.1864 3  511.9947696  595161404433014 1    422913 1      C-13-H3C(O)CH3
  778326.1660  0.0090 -4.3573 3 1037.9142628  59516140478 475 4    77 474 4      C-13-H3C(O)CH3
  778326.1660  0.0090 -5.4888 3 1037.9142628  59516140478 475 4    77 374 4      C-13-H3C(O)CH3
  778326.1660  0.0090 -5.2815 3 1037.9142628  59516140478 375 4    77 474 4      C-13-H3C(O)CH3
  778326.1660  0.0090 -4.3774 3 1037.9142628  59516140478 375 4    77 374 4      C-13-H3C(O)CH3
  778326.1952  0.0090 -4.5718 3 1037.9142628  59516140478 375 3    77 374 3      C-13-H3C(O)CH3
  778326.1952  0.0090 -4.5718 3 1037.9142628  59516140478 475 3    77 474 3      C-13-H3C(O)CH3
  778326.1952  0.0090 -4.6911 3 1037.9142628  59516140478 475 3    77 374 3      C-13-H3C(O)CH3
  778326.1952  0.0090 -4.6911 3 1037.9142628  59516140478 375 3    77 474 3      C-13-H3C(O)CH3
  778332.2817  0.2072 -5.5259 3 1156.1253A48  595161404654026 0    644123 0      C-13-H3C(O)CH3
  778336.7352  0.3496 -5.9718 3 1255.3365A96  595161404684029 0    674126 0      C-13-H3C(O)CH3
  778348.7858  0.0119 -4.1676 3 1037.9326C56  59516140478 375 1    77 374 1      C-13-H3C(O)CH3
  778348.7858  0.0119 -4.1676 3 1037.9326C56  59516140478 475 1    77 474 1      C-13-H3C(O)CH3
  778348.8260  0.0127 -5.4638 3 1037.9323C56  59516140478 475 2    77 474 2      C-13-H3C(O)CH3
  778348.8260  0.0127 -5.4638 3 1037.9323C56  59516140478 375 2    77 374 2      C-13-H3C(O)CH3
  778348.9729  0.0119 -4.5793 3 1037.9326C56 -59516140478 475 1    77 374 1      C-13-H3C(O)CH3
  778348.9729  0.0127 -4.0415 3 1037.9323C56 -59516140478 475 2    77 374 2      C-13-H3C(O)CH3
  778348.9729  0.0119 -4.5793 3 1037.9326C56 -59516140478 375 1    77 474 1      C-13-H3C(O)CH3
  778348.9729  0.0127 -4.0415 3 1037.9323C56 -59516140478 375 2    77 474 2      C-13-H3C(O)CH3
  778371.4003  0.0088 -4.0473 3 1037.9507C56  59516140478 375 0    77 474 0      C-13-H3C(O)CH3
  778371.4003  0.0088 -5.3338 3 1037.9507C56  59516140478 375 0    77 374 0      C-13-H3C(O)CH3
  778371.4003  0.0088 -4.0473 3 1037.9507C56  59516140478 475 0    77 374 0      C-13-H3C(O)CH3
  778371.4003  0.0088 -5.3338 3 1037.9507C56  59516140478 475 0    77 474 0      C-13-H3C(O)CH3
  778398.1861  0.5284 -6.0284 3 1280.5160A96  595161404684424 2    674523 2      C-13-H3C(O)CH3
  778464.7872  0.3973 -5.8037 3 1280.4825A96  595161404684424 0    674523 0      C-13-H3C(O)CH3
  778486.6326  0.0199 -4.0769 3 1007.3373B44  595161404711260 0    701259 0      C-13-H3C(O)CH3
  778486.6326  0.0199 -6.0756 3 1007.3373B44  595161404711260 0    701159 0      C-13-H3C(O)CH3
  778486.6326  0.0199 -6.0756 3 1007.3373B44  595161404711160 0    701259 0      C-13-H3C(O)CH3
  778486.6326  0.0199 -4.0769 3 1007.3373B44  595161404711160 0    701159 0      C-13-H3C(O)CH3
  778499.8152  0.4694 -5.9833 3 1280.5208A96  595161404684424 1    674523 1      C-13-H3C(O)CH3
  778514.7495  0.0335 -4.2777 3 1007.3184B44  595161404711160 1    701159 1      C-13-H3C(O)CH3
  778514.7495  0.0335 -4.4966 3 1007.3184B44  595161404711260 1    701159 1      C-13-H3C(O)CH3
  778514.7495  0.0335 -4.4966 3 1007.3184B44  595161404711160 1    701259 1      C-13-H3C(O)CH3
  778514.7495  0.0335 -4.2777 3 1007.3184B44  595161404711260 1    701259 1      C-13-H3C(O)CH3
  778514.7706  0.0325 -4.2582 3 1007.3182B44  595161404711260 2    701159 2      C-13-H3C(O)CH3
  778514.7706  0.0325 -4.5310 3 1007.3182B44  595161404711260 2    701259 2      C-13-H3C(O)CH3
  778514.7706  0.0325 -4.5310 3 1007.3182B44  595161404711160 2    701159 2      C-13-H3C(O)CH3
  778514.7706  0.0325 -4.2582 3 1007.3182B44  595161404711160 2    701259 2      C-13-H3C(O)CH3
  778527.2069  0.0269 -4.8841 3  927.9846A16  595161404632043 0    622142 0      C-13-H3C(O)CH3
  778527.2069  0.0269 -4.8841 3  927.9846A16  595161404632143 0    622042 0      C-13-H3C(O)CH3
  778527.2069  0.0269 -4.1533 3  927.9846A16  595161404632143 0    622142 0      C-13-H3C(O)CH3
  778527.2069  0.0269 -4.1533 3  927.9846A16  595161404632043 0    622042 0      C-13-H3C(O)CH3
  778542.9137  0.0254 -4.5090 3 1007.2992572  595161404711160 3    701259 3      C-13-H3C(O)CH3
  778542.9137  0.0254 -4.9451 3 1007.2992572  595161404711260 3    701259 3      C-13-H3C(O)CH3
  778542.9137  0.0254 -4.9451 3 1007.2992572  595161404711160 3    701159 3      C-13-H3C(O)CH3
  778542.9137  0.0254 -4.5090 3 1007.2992572  595161404711260 3    701159 3      C-13-H3C(O)CH3
  778542.9451  0.0255 -5.8231 3 1007.2991572  595161404711160 4    701159 4      C-13-H3C(O)CH3
  778542.9451  0.0255 -4.3892 3 1007.2991572  595161404711160 4    701259 4      C-13-H3C(O)CH3
  778542.9451  0.0255 -4.3892 3 1007.2991572  595161404711260 4    701159 4      C-13-H3C(O)CH3
  778542.9451  0.0255 -5.8231 3 1007.2991572  595161404711260 4    701259 4      C-13-H3C(O)CH3
  778569.0409  0.0281 -6.0612 3  927.9865A16  595161404632043 1    622142 1      C-13-H3C(O)CH3
  778569.0409  0.0281 -6.0612 3  927.9865A16  595161404632143 1    622042 1      C-13-H3C(O)CH3
  778569.0409  0.0281 -4.0838 3  927.9865A16  595161404632143 1    622142 1      C-13-H3C(O)CH3
  778569.0409  0.0281 -4.0838 3  927.9865A16  595161404632043 1    622042 1      C-13-H3C(O)CH3
  778570.3286  0.0286 -5.4583 3  927.9867A16  595161404632043 2    622142 2      C-13-H3C(O)CH3
  778570.3286  0.0286 -4.0978 3  927.9867A16  595161404632043 2    622042 2      C-13-H3C(O)CH3
  778570.3286  0.0286 -5.4583 3  927.9867A16  595161404632143 2    622042 2      C-13-H3C(O)CH3
  778570.3286  0.0286 -4.0978 3  927.9867A16  595161404632143 2    622142 2      C-13-H3C(O)CH3
  778612.2098  0.0305 -4.4672 3  927.9887508  595161404632043 3    622042 3      C-13-H3C(O)CH3
  778612.2098  0.0305 -5.1215 3  927.9887508  595161404632043 3    622142 3      C-13-H3C(O)CH3
  778612.2098  0.0305 -5.1215 3  927.9887508  595161404632143 3    622042 3      C-13-H3C(O)CH3
  778612.2098  0.0305 -4.4672 3  927.9887508  595161404632143 3    622142 3      C-13-H3C(O)CH3
  778612.2894  0.0305 -5.1009 3  927.9887508  595161404632043 4    622042 4      C-13-H3C(O)CH3
  778612.2894  0.0305 -4.4719 3  927.9887508  595161404632043 4    622142 4      C-13-H3C(O)CH3
  778612.2894  0.0305 -4.4719 3  927.9887508  595161404632143 4    622042 4      C-13-H3C(O)CH3
  778612.2894  0.0305 -5.1009 3  927.9887508  595161404632143 4    622142 4      C-13-H3C(O)CH3
  778638.7783  0.4287 -5.9674 3 1255.3393A96  595161404684029 2    674126 2      C-13-H3C(O)CH3
  778642.6278  0.0234 -5.2753 3  151.8310488  59516140430 427 2    29 128 2      C-13-H3C(O)CH3
  778642.6278  0.0234 -5.2753 3  151.8310488  59516140430 327 2    29 228 2      C-13-H3C(O)CH3
  778644.7276  0.0244 -5.2627 3  151.8315488  59516140430 427 1    29 128 1      C-13-H3C(O)CH3
  778644.7276  0.0244 -5.2688 3  151.8315488  59516140430 327 1    29 228 1      C-13-H3C(O)CH3
  778738.6718  0.3263 -5.9651 3 1255.3329A96  595161404684029 1    674126 1      C-13-H3C(O)CH3
  778824.3275  0.0067 -5.7829 3  523.9300712  595161404442817 2    432717 2      C-13-H3C(O)CH3
  778837.2624  0.0600 -4.9017 3  511.9904348  595161404433014 3    422913 3      C-13-H3C(O)CH3
  778857.2406  0.0053 -3.5347 3  511.9938696  595161404433014 0    422913 0      C-13-H3C(O)CH3
  778884.9846  0.0073 -5.6723 3  523.9157356  595161404442817 4    432717 4      C-13-H3C(O)CH3
  779001.9811  0.0063 -4.3846 3  276.1070276  595161404341420 4    331321 4      C-13-H3C(O)CH3
  779002.0737  0.0063 -4.3846 3  276.1070276  595161404341520 4    331221 4      C-13-H3C(O)CH3
  779002.3162  0.0058 -4.3846 3  276.1070276  595161404341420 3    331321 3      C-13-H3C(O)CH3
  779002.4094  0.0058 -4.3846 3  276.1070276  595161404341520 3    331221 3      C-13-H3C(O)CH3
  779064.8844  0.0064 -3.5443 3  511.9682696 -595161404433014 1    422914 1      C-13-H3C(O)CH3
  779094.5934  0.0044 -3.4066 3  502.5976680 -595161404423210 0    413111 0      C-13-H3C(O)CH3
  779094.5934  0.0044 -3.4066 3  502.5976680 -595161404423211 0    413110 0      C-13-H3C(O)CH3
  779098.3521  0.0053 -3.5344 3  511.9882696  595161404433013 0    422914 0      C-13-H3C(O)CH3
  779099.2696  0.0056 -4.0837 3  276.1265552  595161404341420 2    331321 2      C-13-H3C(O)CH3
  779099.3619  0.0056 -4.0837 3  276.1265552  595161404341520 2    331221 2      C-13-H3C(O)CH3
  779107.8929  0.0054 -3.5444 3  511.9947696 -595161404433013 1    422913 1      C-13-H3C(O)CH3
  779116.0175  0.0057 -3.5389 3  512.0128696  595161404433013 2    422913 2      C-13-H3C(O)CH3
  779117.3982  0.0056 -4.0837 3  276.1285552  595161404341420 1    331321 1      C-13-H3C(O)CH3
  779117.4856  0.0056 -4.0837 3  276.1285552  595161404341520 1    331221 1      C-13-H3C(O)CH3
  779128.8984  0.0061 -3.5384 3  511.9730696 -595161404433014 2    422914 2      C-13-H3C(O)CH3
  779177.2556  0.0055 -3.4066 3  502.5706680 -595161404423211 1    413111 1      C-13-H3C(O)CH3
  779188.5784  0.0078 -3.8744 3  511.9904348  595161404433013 3    422913 3      C-13-H3C(O)CH3
  779196.5714  0.0048 -3.4068 3  502.6118680 -595161404423210 2    413110 2      C-13-H3C(O)CH3
  779202.3023  0.0053 -3.4065 3  502.5867680 -595161404423211 2    413111 2      C-13-H3C(O)CH3
  779206.9163  0.0076 -3.8365 3  511.9503348  595161404433014 4    422914 4      C-13-H3C(O)CH3
  779214.2124  0.0052 -4.0836 3  276.1479552  595161404341420 0    331321 0      C-13-H3C(O)CH3
  779214.2992  0.0052 -4.0836 3  276.1479552  595161404341520 0    331221 0      C-13-H3C(O)CH3
  779236.6469  0.0049 -3.4066 3  502.5959680 -595161404423210 1    413110 1      C-13-H3C(O)CH3
  779238.4180  0.0180 -4.1375 3  775.5649872  595161404543025 0    532924 0      C-13-H3C(O)CH3
  779256.9950  0.0067 -3.8371 3  512.0159348 -595161404433013 4    422913 4      C-13-H3C(O)CH3
  779274.9180  0.0074 -3.8740 3  511.9758348  595161404433014 3    422914 3      C-13-H3C(O)CH3
  779280.1939  0.0066 -3.7080 3  502.5846340  595161404423211 3    413111 3      C-13-H3C(O)CH3
  779285.7255  0.0072 -3.7076 3  502.5594340  595161404423211 4    413111 4      C-13-H3C(O)CH3
  779339.0284  0.0064 -3.7078 3  502.6099340  595161404423210 4    413110 4      C-13-H3C(O)CH3
  779345.2256  0.0065 -3.7077 3  502.5848340  595161404423210 3    413110 3      C-13-H3C(O)CH3
  779351.7105  0.0173 -4.1377 3  775.5606872  595161404543025 1    532924 1      C-13-H3C(O)CH3
  779375.7630  0.0170 -4.1377 3  775.5591872  595161404543025 2    532924 2      C-13-H3C(O)CH3
  779380.8122  0.0223 -5.5617 3  151.7766488  59516140430 427 0    29 128 0      C-13-H3C(O)CH3
  779380.8122  0.0223 -5.5386 3  151.7766488  59516140430 427 0    29 228 0      C-13-H3C(O)CH3
  779380.8122  0.0223 -5.5386 3  151.7766488  59516140430 327 0    29 128 0      C-13-H3C(O)CH3
  779380.8122  0.0223 -5.5617 3  151.7766488  59516140430 327 0    29 228 0      C-13-H3C(O)CH3
  779472.6084  0.0271 -4.0830 3  941.8901A32  595161404641945 0    632044 0      C-13-H3C(O)CH3
  779472.6084  0.0271 -4.0830 3  941.8901A32  595161404642045 0    631944 0      C-13-H3C(O)CH3
  779490.0047  0.0158 -4.4390 3  775.5547436  595161404543025 4    532924 4      C-13-H3C(O)CH3
  779491.3679  0.0158 -4.4390 3  775.5546436  595161404543025 3    532924 3      C-13-H3C(O)CH3
  779513.8934  0.0284 -4.5661 3  941.8910A32  595161404642045 1    632044 1      C-13-H3C(O)CH3
  779513.8934  0.0284 -4.2562 3  941.8910A32  595161404642045 1    631944 1      C-13-H3C(O)CH3
  779513.8934  0.0284 -4.2562 3  941.8910A32  595161404641945 1    632044 1      C-13-H3C(O)CH3
  779513.8934  0.0284 -4.5661 3  941.8910A32  595161404641945 1    631944 1      C-13-H3C(O)CH3
  779514.9476  0.0288 -4.0849 3  941.8912A32  595161404641945 2    631944 2      C-13-H3C(O)CH3
  779514.9476  0.0288 -4.0849 3  941.8912A32  595161404642045 2    632044 2      C-13-H3C(O)CH3
  779538.7296  0.0073 -4.3348 3 1042.5607636  59516140479 277 4    78 276 4      C-13-H3C(O)CH3
  779538.7296  0.0073 -5.8507 3 1042.5607636  59516140479 377 4    78 276 4      C-13-H3C(O)CH3
  779538.7329  0.0073 -4.5654 3 1042.5607636  59516140479 277 3    78 376 3      C-13-H3C(O)CH3
  779538.7329  0.0073 -4.5654 3 1042.5607636  59516140479 377 3    78 276 3      C-13-H3C(O)CH3
  779538.8616  0.0073 -4.6890 3 1042.5607636 -59516140479 277 3    78 276 3      C-13-H3C(O)CH3
  779538.8616  0.0073 -4.3348 3 1042.5607636 -59516140479 377 4    78 376 4      C-13-H3C(O)CH3
  779538.8616  0.0073 -5.8507 3 1042.5607636 -59516140479 277 4    78 376 4      C-13-H3C(O)CH3
  779538.8616  0.0073 -4.6890 3 1042.5607636 -59516140479 377 3    78 376 3      C-13-H3C(O)CH3
  779556.2782  0.0309 -4.3952 3  941.8921516  595161404642045 3    632044 3      C-13-H3C(O)CH3
  779556.2782  0.0309 -5.9792 3  941.8921516  595161404641945 3    632044 3      C-13-H3C(O)CH3
  779556.2782  0.0309 -5.9792 3  941.8921516  595161404642045 3    631944 3      C-13-H3C(O)CH3
  779556.2782  0.0309 -4.3952 3  941.8921516  595161404641945 3    631944 3      C-13-H3C(O)CH3
  779556.3550  0.0309 -4.4241 3  941.8921516  595161404641945 4    632044 4      C-13-H3C(O)CH3
  779556.3550  0.0309 -5.4386 3  941.8921516  595161404641945 4    631944 4      C-13-H3C(O)CH3
  779556.3550  0.0309 -4.4241 3  941.8921516  595161404642045 4    631944 4      C-13-H3C(O)CH3
  779556.3550  0.0309 -5.4386 3  941.8921516  595161404642045 4    632044 4      C-13-H3C(O)CH3
  779560.3486  0.0262 -4.1215 3  498.5717348  595161404432716 3    422617 3      C-13-H3C(O)CH3
  779562.9082  0.0120 -4.2940 3 1042.5631C72  59516140479 277 2    78 276 2      C-13-H3C(O)CH3
  779562.9082  0.0120 -4.2940 3 1042.5631C72  59516140479 377 2    78 376 2      C-13-H3C(O)CH3
  779563.0078  0.0106 -4.0758 3 1042.5635C72  59516140479 377 1    78 376 1      C-13-H3C(O)CH3
  779563.0078  0.0106 -4.0758 3 1042.5635C72  59516140479 277 1    78 276 1      C-13-H3C(O)CH3
  779563.0548  0.0106 -4.9450 3 1042.5635C72 -59516140479 277 1    78 376 1      C-13-H3C(O)CH3
  779563.0548  0.0106 -4.9450 3 1042.5635C72 -59516140479 377 1    78 276 1      C-13-H3C(O)CH3
  779563.0548  0.0120 -4.3515 3 1042.5631C72 -59516140479 277 2    78 376 2      C-13-H3C(O)CH3
  779563.0548  0.0120 -4.3515 3 1042.5631C72 -59516140479 377 2    78 276 2      C-13-H3C(O)CH3
  779587.1476  0.0079 -4.1806 3 1042.5659C72  59516140479 377 0    78 276 0      C-13-H3C(O)CH3
  779587.1476  0.0079 -4.5323 3 1042.5659C72  59516140479 277 0    78 276 0      C-13-H3C(O)CH3
  779587.2632  0.0079 -4.4264 3 1042.5659C72 -59516140479 377 0    78 376 0      C-13-H3C(O)CH3
  779587.2632  0.0079 -4.2375 3 1042.5659C72 -59516140479 277 0    78 376 0      C-13-H3C(O)CH3
  779588.1668  0.5641 -5.6691 3 1087.3970508  595161404633924 3    624023 3      C-13-H3C(O)CH3
  779591.6806  0.0224 -3.8224 3  498.5872696  595161404432716 2    422617 2      C-13-H3C(O)CH3
  779625.0456  0.0203 -4.5017 3 1016.2864B60  595161404721062 0    711061 0      C-13-H3C(O)CH3
  779625.0456  0.0203 -4.2764 3 1016.2864B60  595161404721062 0    711161 0      C-13-H3C(O)CH3
  779625.0456  0.0203 -4.5017 3 1016.2864B60  595161404721162 0    711161 0      C-13-H3C(O)CH3
  779625.0456  0.0203 -4.2764 3 1016.2864B60  595161404721162 0    711061 0      C-13-H3C(O)CH3
  779626.2340  0.0612 -4.9011 3  511.9758348  595161404433013 3    422914 3      C-13-H3C(O)CH3
  779643.8371  0.0220 -4.1244 3  498.5707348  595161404432716 4    422617 4      C-13-H3C(O)CH3
  779648.9349  0.0361 -4.0749 3 1016.2641B60  595161404721162 1    711161 1      C-13-H3C(O)CH3
  779648.9349  0.0361 -4.0749 3 1016.2641B60  595161404721062 1    711061 1      C-13-H3C(O)CH3
  779648.9530  0.0350 -4.1381 3 1016.2639B60  595161404721062 2    711061 2      C-13-H3C(O)CH3
  779648.9530  0.0350 -4.1381 3 1016.2639B60  595161404721162 2    711161 2      C-13-H3C(O)CH3
  779648.9530  0.0350 -4.9334 3 1016.2639B60  595161404721162 2    711061 2      C-13-H3C(O)CH3
  779648.9530  0.0350 -4.9334 3 1016.2639B60  595161404721062 2    711161 2      C-13-H3C(O)CH3
  779672.8649  0.0246 -4.9042 3 1016.2415580  595161404721162 3    711161 3      C-13-H3C(O)CH3
  779672.8649  0.0246 -5.6535 3 1016.2415580  595161404721162 3    711061 3      C-13-H3C(O)CH3
  779672.8649  0.0246 -4.5265 3 1016.2415580  595161404721062 3    711161 3      C-13-H3C(O)CH3
  779672.8649  0.0246 -4.3980 3 1016.2415580  595161404721062 3    711061 3      C-13-H3C(O)CH3
  779672.8850  0.0246 -4.4633 3 1016.2414580  595161404721162 4    711061 4      C-13-H3C(O)CH3
  779672.8850  0.0246 -4.4633 3 1016.2414580  595161404721062 4    711161 4      C-13-H3C(O)CH3
  779672.8850  0.0246 -5.1077 3 1016.2414580  595161404721162 4    711161 4      C-13-H3C(O)CH3
  779672.8850  0.0246 -5.1077 3 1016.2414580  595161404721062 4    711061 4      C-13-H3C(O)CH3
  779695.5016  0.0129 -3.8237 3  498.6057696  595161404432716 0    422617 0      C-13-H3C(O)CH3
  779702.9658  0.0131 -3.8232 3  498.5898696  595161404432716 1    422617 1      C-13-H3C(O)CH3
  779858.3198  0.4303 -5.7191 3 1087.3894508  595161404633924 4    624023 4      C-13-H3C(O)CH3
  779902.5049  0.0353 -5.1848 3  511.9682696  595161404433013 1    422914 1      C-13-H3C(O)CH3
  780188.6408  0.0414 -4.1972 3  528.3881356  595161404442916 4    432815 4      C-13-H3C(O)CH3
  780310.3255  0.0538 -5.5326 3  511.9730696  595161404433013 2    422914 2      C-13-H3C(O)CH3
  780457.1274  0.0270 -4.0869 3  955.2364A48  595161404651947 0    641846 0      C-13-H3C(O)CH3
  780457.1274  0.0270 -4.0871 3  955.2364A48  595161404651847 0    641946 0      C-13-H3C(O)CH3
  780478.3218  0.3856 -5.3825 3 1087.3597A16  595161404633924 1    624023 1      C-13-H3C(O)CH3
  780497.8467  0.0285 -4.6688 3  955.2360A48  595161404651947 1    641946 1      C-13-H3C(O)CH3
  780497.8467  0.0285 -4.6688 3  955.2360A48  595161404651847 1    641846 1      C-13-H3C(O)CH3
  780497.8467  0.0285 -4.2188 3  955.2360A48  595161404651847 1    641946 1      C-13-H3C(O)CH3
  780497.8467  0.0285 -4.2188 3  955.2360A48  595161404651947 1    641846 1      C-13-H3C(O)CH3
  780498.6933  0.0288 -4.5597 3  955.2361A48  595161404651847 2    641846 2      C-13-H3C(O)CH3
  780498.6933  0.0288 -4.5597 3  955.2361A48  595161404651947 2    641946 2      C-13-H3C(O)CH3
  780498.6933  0.0288 -4.2652 3  955.2361A48  595161404651947 2    641846 2      C-13-H3C(O)CH3
  780498.6933  0.0288 -4.2652 3  955.2361A48  595161404651847 2    641946 2      C-13-H3C(O)CH3
  780519.0341  0.0082 -3.1757 3  493.7810632 -5951614043939 0 0    3838 0 0      C-13-H3C(O)CH3
  780519.0341  0.0082 -3.1757 3  493.7810632 -5951614043939 1 0    3838 1 0      C-13-H3C(O)CH3
  780539.4565  0.0310 -4.3951 3  955.2357524  595161404651847 3    641946 3      C-13-H3C(O)CH3
  780539.4565  0.0310 -4.3951 3  955.2357524  595161404651947 3    641846 3      C-13-H3C(O)CH3
  780539.5304  0.0311 -5.4130 3  955.2357524  595161404651947 4    641846 4      C-13-H3C(O)CH3
  780539.5304  0.0311 -4.4310 3  955.2357524  595161404651847 4    641846 4      C-13-H3C(O)CH3
  780539.5304  0.0311 -5.4130 3  955.2357524  595161404651847 4    641946 4      C-13-H3C(O)CH3
  780539.5304  0.0311 -4.4310 3  955.2357524  595161404651947 4    641946 4      C-13-H3C(O)CH3
  780561.3572  0.0245 -3.7733 3  528.3925712  595161404442916 2    432815 2      C-13-H3C(O)CH3
  780562.8925  0.5144 -5.3814 3 1087.3584A16  595161404633924 2    624023 2      C-13-H3C(O)CH3
  780620.9570  0.3890 -5.1062 3  882.8217460  595161404573423 3    563522 3      C-13-H3C(O)CH3
  780659.4659  0.0088 -3.1754 3  493.7150632 -5951614043939 1 2    3838 1 2      C-13-H3C(O)CH3
  780662.0336  0.0129 -3.7157 3  528.3872712 -595161404442916 1    432815 1      C-13-H3C(O)CH3
  780678.0374  0.0072 -3.6712 3  528.3960712 -595161404442916 0    432815 0      C-13-H3C(O)CH3
  780735.9907  0.3618 -5.1088 3  882.8184460  595161404573423 4    563522 4      C-13-H3C(O)CH3
  780758.9255  0.0089 -3.1753 3  493.7329632 -5951614043939 1 1    3838 1 1      C-13-H3C(O)CH3
  780762.0073  0.0099 -3.1754 3  493.7790632 -5951614043939 0 2    3838 0 2      C-13-H3C(O)CH3
  780766.3440  0.0082 -6.0085 3 1046.6840644  59516140480 279 3    79 178 3      C-13-H3C(O)CH3
  780766.3440  0.0082 -4.3254 3 1046.6840644  59516140480 279 3    79 278 3      C-13-H3C(O)CH3
  780766.3440  0.0082 -4.3254 3 1046.6840644  59516140480 179 3    79 178 3      C-13-H3C(O)CH3
  780766.3440  0.0082 -6.0085 3 1046.6840644  59516140480 179 3    79 278 3      C-13-H3C(O)CH3
  780766.3635  0.0082 -4.5695 3 1046.6841644  59516140480 279 4    79 278 4      C-13-H3C(O)CH3
  780766.3635  0.0082 -4.5695 3 1046.6841644  59516140480 179 4    79 178 4      C-13-H3C(O)CH3
  780766.3635  0.0082 -4.6714 3 1046.6841644  59516140480 179 4    79 278 4      C-13-H3C(O)CH3
  780766.3635  0.0082 -4.6714 3 1046.6841644  59516140480 279 4    79 178 4      C-13-H3C(O)CH3
  780768.0331  0.0088 -3.1755 3  493.8109632 -5951614043939 0 1    3838 0 1      C-13-H3C(O)CH3
  780776.0582  0.0211 -4.0764 3 1024.6982B76  595161404731064 0    72 963 0      C-13-H3C(O)CH3
  780776.0582  0.0211 -4.0764 3 1024.6982B76  59516140473 964 0    721063 0      C-13-H3C(O)CH3
  780785.3756  0.0136 -4.0673 3 1046.6608C88  59516140480 279 2    79 278 2      C-13-H3C(O)CH3
  780785.3756  0.0136 -4.9638 3 1046.6608C88  59516140480 179 2    79 278 2      C-13-H3C(O)CH3
  780785.3829  0.0114 -4.1065 3 1046.6613C88 -59516140480 179 1    79 278 1      C-13-H3C(O)CH3
  780785.3829  0.0136 -4.9638 3 1046.6608C88 -59516140480 279 2    79 178 2      C-13-H3C(O)CH3
  780785.3829  0.0136 -4.0673 3 1046.6608C88 -59516140480 179 2    79 178 2      C-13-H3C(O)CH3
  780785.3829  0.0114 -4.1065 3 1046.6613C88 -59516140480 279 1    79 178 1      C-13-H3C(O)CH3
  780785.5152  0.0114 -4.7383 3 1046.6613C88  59516140480 279 1    79 278 1      C-13-H3C(O)CH3
  780785.5152  0.0114 -4.7383 3 1046.6613C88  59516140480 179 1    79 178 1      C-13-H3C(O)CH3
  780788.9929  0.0208 -5.9153 3  209.7587220  5951614042724 3 4    2621 5 4      C-13-H3C(O)CH3
  780794.8336  0.0384 -4.2139 3 1024.6725B76  59516140473 964 1    72 963 1      C-13-H3C(O)CH3
  780794.8336  0.0384 -4.6343 3 1024.6725B76  595161404731064 1    72 963 1      C-13-H3C(O)CH3
  780794.8336  0.0384 -4.6343 3 1024.6725B76  59516140473 964 1    721063 1      C-13-H3C(O)CH3
  780794.8336  0.0384 -4.2139 3 1024.6725B76  595161404731064 1    721063 1      C-13-H3C(O)CH3
  780794.8800  0.0373 -4.2141 3 1024.6724B76  59516140473 964 2    721063 2      C-13-H3C(O)CH3
  780794.8800  0.0373 -4.6337 3 1024.6724B76  595161404731064 2    721063 2      C-13-H3C(O)CH3
  780794.8800  0.0373 -4.2141 3 1024.6724B76  595161404731064 2    72 963 2      C-13-H3C(O)CH3
  780794.8800  0.0373 -4.6337 3 1024.6724B76  59516140473 964 2    72 963 2      C-13-H3C(O)CH3
  780804.3830  0.0083 -4.1782 3 1046.6382C88 -59516140480 179 0    79 278 0      C-13-H3C(O)CH3
  780804.3830  0.0083 -4.5202 3 1046.6382C88 -59516140480 279 0    79 278 0      C-13-H3C(O)CH3
  780804.4957  0.0083 -4.5202 3 1046.6382C88  59516140480 179 0    79 178 0      C-13-H3C(O)CH3
  780804.4957  0.0083 -4.1782 3 1046.6382C88  59516140480 279 0    79 178 0      C-13-H3C(O)CH3
  780813.6744  0.0237 -4.3750 3 1024.6466588  59516140473 964 3    72 963 3      C-13-H3C(O)CH3
  780813.6744  0.0237 -4.3750 3 1024.6466588  595161404731064 3    721063 3      C-13-H3C(O)CH3
  780813.6817  0.0237 -4.3774 3 1024.6466588  59516140473 964 4    72 963 4      C-13-H3C(O)CH3
  780813.6817  0.0237 -4.3774 3 1024.6466588  595161404731064 4    721063 4      C-13-H3C(O)CH3
  780893.2880  0.0176 -4.7178 3  292.7725536  595161404332311 1    322012 1      C-13-H3C(O)CH3
  780898.7117  0.0126 -3.4761 3  493.6670316  5951614043939 1 4    3838 1 4      C-13-H3C(O)CH3
  780907.9485  0.0123 -3.4762 3  493.7449316  5951614043939 0 3    3838 0 3      C-13-H3C(O)CH3
  780963.3980  0.0254 -5.0708 3  292.7483268  595161404332311 3    322012 3      C-13-H3C(O)CH3
  780976.7481  0.0175 -5.9113 3  209.7228220  5951614042724 4 3    2621 5 3      C-13-H3C(O)CH3
  780999.6815  0.0148 -3.9867 3  528.3787356  595161404442916 3    432815 3      C-13-H3C(O)CH3
  781001.7238  0.0131 -3.4761 3  493.7310316  5951614043939 1 3    3838 1 3      C-13-H3C(O)CH3
  781011.4577  0.0139 -3.4762 3  493.8090316  5951614043939 0 4    3838 0 4      C-13-H3C(O)CH3
  781095.6822  0.0224 -4.9786 3  292.7476268  595161404332311 4    322012 4      C-13-H3C(O)CH3
  781319.1965  0.4140 -5.3675 3 1087.3253A16  595161404633924 0    624023 0      C-13-H3C(O)CH3
  781356.8882  0.0159 -5.6938 3  292.7725536  595161404332310 1    322012 1      C-13-H3C(O)CH3
  781369.9898  0.0181 -5.9134 3  209.7196220  5951614042724 3 3    2621 6 3      C-13-H3C(O)CH3
  781377.6831  0.0169 -5.6145 3  209.7692440  5951614042724 3 1    2621 5 1      C-13-H3C(O)CH3
  781398.7994  0.0143 -4.6763 3  292.7848536  595161404332311 0    322012 0      C-13-H3C(O)CH3
  781435.0798  0.1414 -4.6565 3  786.0962436  595161404543123 3    533222 3      C-13-H3C(O)CH3
  781462.4967  0.1378 -4.6566 3  786.0955436  595161404543123 4    533222 4      C-13-H3C(O)CH3
  781473.0817  0.0264 -4.1337 3  968.0281A64  595161404661749 0    651848 0      C-13-H3C(O)CH3
  781473.0817  0.0264 -4.1337 3  968.0281A64  595161404661849 0    651748 0      C-13-H3C(O)CH3
  781473.0817  0.0264 -5.1185 3  968.0281A64  595161404661749 0    651748 0      C-13-H3C(O)CH3
  781473.0817  0.0264 -5.1185 3  968.0281A64  595161404661849 0    651848 0      C-13-H3C(O)CH3
  781513.1431  0.0284 -4.0929 3  968.0261A64  595161404661749 1    651748 1      C-13-H3C(O)CH3
  781513.1431  0.0284 -4.0925 3  968.0261A64  595161404661849 1    651848 1      C-13-H3C(O)CH3
  781513.8014  0.0286 -4.0914 3  968.0261A64  595161404661749 2    651748 2      C-13-H3C(O)CH3
  781513.8014  0.0286 -4.0914 3  968.0261A64  595161404661849 2    651848 2      C-13-H3C(O)CH3
  781531.9171  0.0168 -4.7058 3  292.7603536  595161404332311 2    322012 2      C-13-H3C(O)CH3
  781553.9050  0.0310 -4.3930 3  968.0241532  595161404661849 3    651748 3      C-13-H3C(O)CH3
  781553.9050  0.0310 -5.3763 3  968.0241532  595161404661749 3    651748 3      C-13-H3C(O)CH3
  781553.9050  0.0310 -4.4394 3  968.0241532  595161404661749 3    651848 3      C-13-H3C(O)CH3
  781553.9755  0.0310 -4.4739 3  968.0241532  595161404661749 4    651748 4      C-13-H3C(O)CH3
  781553.9755  0.0310 -4.4739 3  968.0241532  595161404661849 4    651848 4      C-13-H3C(O)CH3
  781553.9755  0.0310 -5.1558 3  968.0241532  595161404661849 4    651748 4      C-13-H3C(O)CH3
  781553.9755  0.0310 -5.1558 3  968.0241532  595161404661749 4    651848 4      C-13-H3C(O)CH3
  781556.0085  0.0188 -5.9094 3  209.6838220  5951614042724 4 4    2621 6 4      C-13-H3C(O)CH3
  781567.4062  0.0160 -5.6172 3  209.7813440  5951614042724 3 2    2621 5 2      C-13-H3C(O)CH3
  781570.6297  0.0255 -5.6799 3  292.7483268  595161404332310 3    322012 3      C-13-H3C(O)CH3
  781731.5454  0.4101 -4.8026 3  882.8052920  595161404573423 2    563522 2      C-13-H3C(O)CH3
  781751.3878  0.0167 -5.6132 3  209.7455440  5951614042724 4 2    2621 6 2      C-13-H3C(O)CH3
  781784.5996  0.2703 -4.8022 3  882.8047920  595161404573423 1    563522 1      C-13-H3C(O)CH3
  781793.7829  0.4296 -5.8906 3 1321.1459B12  595161404694525 0    684622 0      C-13-H3C(O)CH3
  781870.2097  0.1555 -4.3531 3  786.0946872  595161404543123 2    533222 2      C-13-H3C(O)CH3
  781905.2190  0.0091 -5.8222 3  199.7166228  595161404281811 4    271314 4      C-13-H3C(O)CH3
  781910.2943  0.4818 -6.1083 3 1321.1728B12  595161404694525 2    684623 2      C-13-H3C(O)CH3
  781926.2677  0.1006 -4.3527 3  786.0957872  595161404543123 1    533222 1      C-13-H3C(O)CH3
  781934.6964  0.0084 -5.8219 3  199.7166228  595161404281811 3    271314 3      C-13-H3C(O)CH3
  781938.6484  0.0216 -4.7898 3 1032.5737B92 -59516140474 966 0    73 865 0      C-13-H3C(O)CH3
  781938.6484  0.0216 -4.7898 3 1032.5737B92 -59516140474 866 0    73 965 0      C-13-H3C(O)CH3
  781938.6484  0.0216 -4.1668 3 1032.5737B92 -59516140474 866 0    73 865 0      C-13-H3C(O)CH3
  781938.6484  0.0216 -4.1668 3 1032.5737B92 -59516140474 966 0    73 965 0      C-13-H3C(O)CH3
  781951.9454  0.0395 -4.0851 3 1032.5449B92  59516140474 866 1    73 965 1      C-13-H3C(O)CH3
  781951.9454  0.0395 -5.6705 3 1032.5449B92  59516140474 866 1    73 865 1      C-13-H3C(O)CH3
  781951.9454  0.0395 -5.6705 3 1032.5449B92  59516140474 966 1    73 965 1      C-13-H3C(O)CH3
  781951.9454  0.0395 -4.0851 3 1032.5449B92  59516140474 966 1    73 865 1      C-13-H3C(O)CH3
  781952.0426  0.0385 -4.4705 3 1032.5448B92  59516140474 866 2    73 865 2      C-13-H3C(O)CH3
  781952.0426  0.0385 -4.2967 3 1032.5448B92  59516140474 866 2    73 965 2      C-13-H3C(O)CH3
  781952.0426  0.0385 -4.4705 3 1032.5448B92  59516140474 966 2    73 965 2      C-13-H3C(O)CH3
  781952.0426  0.0385 -4.2967 3 1032.5448B92  59516140474 966 2    73 865 2      C-13-H3C(O)CH3
  781955.0234  0.0166 -5.6126 3  209.7302440  5951614042724 4 1    2621 6 1      C-13-H3C(O)CH3
  781958.1540  0.0185 -5.8594 3  292.7603536  595161404332310 2    322012 2      C-13-H3C(O)CH3
  781964.7967  0.0226 -4.5631 3 1032.5159596  59516140474 866 4    73 965 4      C-13-H3C(O)CH3
  781964.7967  0.0226 -4.8288 3 1032.5159596  59516140474 966 4    73 965 4      C-13-H3C(O)CH3
  781964.7967  0.0226 -4.5631 3 1032.5159596  59516140474 966 4    73 865 4      C-13-H3C(O)CH3
  781964.7967  0.0226 -4.8288 3 1032.5159596  59516140474 866 4    73 865 4      C-13-H3C(O)CH3
  781964.8034  0.0225 -4.7597 3 1032.5160596  59516140474 966 3    73 865 3      C-13-H3C(O)CH3
  781964.8034  0.0225 -4.7597 3 1032.5160596  59516140474 866 3    73 965 3      C-13-H3C(O)CH3
  781964.8034  0.0225 -4.6058 3 1032.5160596  59516140474 966 3    73 965 3      C-13-H3C(O)CH3
  781964.8034  0.0225 -4.6058 3 1032.5160596  59516140474 866 3    73 865 3      C-13-H3C(O)CH3
  782004.4671  0.3810 -6.1078 3 1321.1897B12  595161404694524 2    684622 2      C-13-H3C(O)CH3
  782012.1954  0.0137 -4.5779 3 1050.2877652 -59516140481 081 4    80 180 4      C-13-H3C(O)CH3
  782012.1954  0.0137 -4.5779 3 1050.2877652 -59516140481 181 4    80 080 4      C-13-H3C(O)CH3
  782012.1954  0.0137 -4.3221 3 1050.2877652 -59516140481 181 3    80 080 3      C-13-H3C(O)CH3
  782012.1954  0.0137 -5.8871 3 1050.2877652 -59516140481 081 3    80 080 3      C-13-H3C(O)CH3
  782012.2713  0.0137 -4.6478 3 1050.2877652  59516140481 081 4    80 080 4      C-13-H3C(O)CH3
  782012.2713  0.0137 -4.6478 3 1050.2877652  59516140481 181 4    80 180 4      C-13-H3C(O)CH3
  782012.2913  0.0137 -5.8871 3 1050.2877652  59516140481 181 3    80 180 3      C-13-H3C(O)CH3
  782012.2913  0.0137 -4.3221 3 1050.2877652  59516140481 081 3    80 180 3      C-13-H3C(O)CH3
  782014.9857  0.0197 -4.0094 3 1050.2252D04 -59516140481 181 1    80 180 1      C-13-H3C(O)CH3
  782014.9857  0.0241 -4.0146 3 1050.2251D04 -59516140481 081 2    80 180 2      C-13-H3C(O)CH3
  782014.9857  0.0241 -4.0146 3 1050.2251D04 -59516140481 181 2    80 080 2      C-13-H3C(O)CH3
  782014.9857  0.0241 -5.9200 3 1050.2251D04 -59516140481 181 2    80 180 2      C-13-H3C(O)CH3
  782014.9857  0.0241 -5.9200 3 1050.2251D04 -59516140481 081 2    80 080 2      C-13-H3C(O)CH3
  782014.9857  0.0197 -4.0094 3 1050.2252D04 -59516140481 081 1    80 080 1      C-13-H3C(O)CH3
  782017.7100  0.0154 -5.5114 3 1050.1628D04  59516140481 181 0    80 080 0      C-13-H3C(O)CH3
  782017.7100  0.0154 -4.0230 3 1050.1628D04  59516140481 081 0    80 080 0      C-13-H3C(O)CH3
  782017.7659  0.0154 -5.5114 3 1050.1628D04 -59516140481 081 0    80 180 0      C-13-H3C(O)CH3
  782017.7659  0.0154 -4.0230 3 1050.1628D04 -59516140481 181 0    80 180 0      C-13-H3C(O)CH3
  782051.4187  0.0091 -5.5205 3  199.7283456  595161404281811 1    271314 1      C-13-H3C(O)CH3
  782141.1813  0.0090 -5.5213 3  199.7240456  595161404281811 2    271314 2      C-13-H3C(O)CH3
  782156.4384  0.0172 -5.6173 3  209.7918440  5951614042724 4 0    2621 5 0      C-13-H3C(O)CH3
  782157.0382  0.0172 -5.6173 3  209.7917440  5951614042724 3 0    2621 6 0      C-13-H3C(O)CH3
  782268.8550  0.0096 -5.5205 3  199.7357456  595161404281811 0    271314 0      C-13-H3C(O)CH3
  782340.6618  0.1130 -4.3503 3  786.0945872  595161404543123 0    533222 0      C-13-H3C(O)CH3
  782403.5281  0.4366 -5.8898 3 1321.1451B12  595161404694524 0    684623 0      C-13-H3C(O)CH3
  782434.8524  0.0052 -3.2304 3  497.0382648 -5951614044037 3 0    3936 3 0      C-13-H3C(O)CH3
  782434.8524  0.0052 -3.2304 3  497.0382648 -5951614044037 4 0    3936 4 0      C-13-H3C(O)CH3
  782514.9128  0.0256 -4.1011 3  980.2689A80  595161404671751 0    661750 0      C-13-H3C(O)CH3
  782514.9128  0.0256 -5.9243 3  980.2689A80  595161404671751 0    661650 0      C-13-H3C(O)CH3
  782514.9128  0.0256 -4.1011 3  980.2689A80  595161404671651 0    661650 0      C-13-H3C(O)CH3
  782514.9128  0.0256 -5.9243 3  980.2689A80  595161404671651 0    661750 0      C-13-H3C(O)CH3
  782520.3231  0.0052 -3.2303 3  496.9928648 -5951614044037 4 2    3936 4 2      C-13-H3C(O)CH3
  782554.1408  0.0283 -4.4710 3  980.2651A80  595161404671651 1    661750 1      C-13-H3C(O)CH3
  782554.1408  0.0283 -4.3315 3  980.2651A80  595161404671651 1    661650 1      C-13-H3C(O)CH3
  782554.1408  0.0283 -4.4710 3  980.2651A80  595161404671751 1    661650 1      C-13-H3C(O)CH3
  782554.1408  0.0283 -4.3315 3  980.2651A80  595161404671751 1    661750 1      C-13-H3C(O)CH3
  782554.6282  0.0283 -4.1193 3  980.2650A80  595161404671751 2    661650 2      C-13-H3C(O)CH3
  782554.6282  0.0283 -5.3527 3  980.2650A80  595161404671751 2    661750 2      C-13-H3C(O)CH3
  782554.6282  0.0283 -4.1193 3  980.2650A80  595161404671651 2    661750 2      C-13-H3C(O)CH3
  782554.6282  0.0283 -5.3527 3  980.2650A80  595161404671651 2    661650 2      C-13-H3C(O)CH3
  782593.8964  0.0307 -5.0780 3  980.2611540  595161404671651 3    661750 3      C-13-H3C(O)CH3
  782593.8964  0.0307 -4.4620 3  980.2611540  595161404671751 3    661750 3      C-13-H3C(O)CH3
  782593.8964  0.0307 -5.2447 3  980.2611540  595161404671751 3    661650 3      C-13-H3C(O)CH3
  782593.8964  0.0307 -4.4968 3  980.2611540  595161404671651 3    661650 3      C-13-H3C(O)CH3
  782593.9632  0.0307 -4.4607 3  980.2611540  595161404671751 4    661750 4      C-13-H3C(O)CH3
  782593.9632  0.0307 -4.4607 3  980.2611540  595161404671651 4    661650 4      C-13-H3C(O)CH3
  782593.9632  0.0307 -5.2526 3  980.2611540  595161404671751 4    661650 4      C-13-H3C(O)CH3
  782593.9632  0.0307 -5.2526 3  980.2611540  595161404671651 4    661750 4      C-13-H3C(O)CH3
  782598.0700  0.0056 -3.2302 3  497.0284648 -5951614044037 3 2    3936 3 2      C-13-H3C(O)CH3
  782601.5617  0.0054 -3.2301 3  496.9896648 -5951614044037 4 1    3936 4 1      C-13-H3C(O)CH3
  782642.1794  0.0081 -5.9747 3  164.1885424  595161404261512 2    251015 2      C-13-H3C(O)CH3
  782652.1790  0.0054 -3.2301 3  497.0471648 -5951614044037 3 1    3936 3 1      C-13-H3C(O)CH3
  782686.9967  0.0080 -3.5310 3  496.9443324  5951614044037 4 4    3936 4 4      C-13-H3C(O)CH3
  782721.6436  0.0081 -5.9741 3  164.1908424  595161404261512 1    251015 1      C-13-H3C(O)CH3
  782737.0682  0.0074 -3.5310 3  497.0018324  5951614044037 3 3    3936 3 3      C-13-H3C(O)CH3
  782764.0770  0.0078 -3.5310 3  496.9798324  5951614044037 4 3    3936 4 3      C-13-H3C(O)CH3
  782814.6980  0.0076 -3.5310 3  497.0372324  5951614044037 3 4    3936 3 4      C-13-H3C(O)CH3
  782837.5678  0.2958 -4.7984 3  882.7899920  595161404573423 0    563522 0      C-13-H3C(O)CH3
  782911.7147  0.0082 -5.9736 3  164.1893424  595161404261512 0    251015 0      C-13-H3C(O)CH3
  782919.9515  0.0183 -5.7017 3  246.4232488  5951614043023 8 1    2920 9 1      C-13-H3C(O)CH3
  782950.4277  0.0088 -4.6783 3  528.3872712  595161404442915 1    432815 1      C-13-H3C(O)CH3
  782979.6184  0.0070 -4.5170 3  244.0449268  595161404331122 4    321023 4      C-13-H3C(O)CH3
  782979.6185  0.0070 -4.5170 3  244.0449268  595161404331222 4    32 923 4      C-13-H3C(O)CH3
  782980.0668  0.0060 -4.5170 3  244.0449268  595161404331122 3    321023 3      C-13-H3C(O)CH3
  782980.0668  0.0060 -4.5170 3  244.0449268  595161404331222 3    32 923 3      C-13-H3C(O)CH3
  783006.9843  0.0244 -5.8079 3  246.4012244  5951614043023 8 3    2920 9 3      C-13-H3C(O)CH3
  783089.2692  0.0127 -4.3444 3  528.3925712  595161404442915 2    432815 2      C-13-H3C(O)CH3
  783109.8569  0.0092 -5.4146 3  528.3787356  595161404442915 3    432815 3      C-13-H3C(O)CH3
  783114.0656  0.0215 -4.4510 3 1039.9134C08  59516140475 768 0    74 867 0      C-13-H3C(O)CH3
  783114.0656  0.0215 -4.3091 3 1039.9134C08  59516140475 868 0    74 867 0      C-13-H3C(O)CH3
  783114.0656  0.0215 -4.3091 3 1039.9134C08  59516140475 768 0    74 767 0      C-13-H3C(O)CH3
  783114.0656  0.0215 -4.4510 3 1039.9134C08  59516140475 868 0    74 767 0      C-13-H3C(O)CH3
  783119.9207  0.0388 -4.9110 3 1039.8822C08  59516140475 768 1    74 767 1      C-13-H3C(O)CH3
  783119.9207  0.0388 -4.9110 3 1039.8822C08  59516140475 868 1    74 867 1      C-13-H3C(O)CH3
  783119.9207  0.0388 -4.1414 3 1039.8822C08  59516140475 868 1    74 767 1      C-13-H3C(O)CH3
  783119.9207  0.0388 -4.1414 3 1039.8822C08  59516140475 768 1    74 867 1      C-13-H3C(O)CH3
  783120.0766  0.0379 -4.8842 3 1039.8821C08  59516140475 768 2    74 867 2      C-13-H3C(O)CH3
  783120.0766  0.0379 -4.8842 3 1039.8821C08  59516140475 868 2    74 767 2      C-13-H3C(O)CH3
  783120.0766  0.0379 -4.1461 3 1039.8821C08  59516140475 768 2    74 767 2      C-13-H3C(O)CH3
  783120.0766  0.0379 -4.1461 3 1039.8821C08  59516140475 868 2    74 867 2      C-13-H3C(O)CH3
  783125.9229  0.0211 -4.6525 3 1039.8509604  59516140475 868 4    74 767 4      C-13-H3C(O)CH3
  783125.9229  0.0211 -4.6991 3 1039.8509604  59516140475 768 4    74 767 4      C-13-H3C(O)CH3
  783125.9229  0.0211 -4.5498 3 1039.8509604  59516140475 868 4    74 867 4      C-13-H3C(O)CH3
  783125.9229  0.0211 -4.8521 3 1039.8509604  59516140475 768 4    74 867 4      C-13-H3C(O)CH3
  783125.9441  0.0210 -4.3814 3 1039.8509604  59516140475 868 3    74 867 3      C-13-H3C(O)CH3
  783125.9441  0.0210 -6.1526 3 1039.8509604  59516140475 868 3    74 767 3      C-13-H3C(O)CH3
  783125.9441  0.0210 -6.1526 3 1039.8509604  59516140475 768 3    74 867 3      C-13-H3C(O)CH3
  783125.9441  0.0210 -4.3814 3 1039.8509604  59516140475 768 3    74 767 3      C-13-H3C(O)CH3
  783186.6303  0.0056 -4.2158 3  244.0558536  595161404331222 2    32 923 2      C-13-H3C(O)CH3
  783186.6303  0.0056 -4.2158 3  244.0558536  595161404331122 2    321023 2      C-13-H3C(O)CH3
  783197.2556  0.0168 -5.4412 3  246.4012244  5951614043023 7 3    2920 9 3      C-13-H3C(O)CH3
  783198.7847  0.0058 -4.2158 3  244.0570536  595161404331122 1    321023 1      C-13-H3C(O)CH3
  783198.7848  0.0058 -4.2158 3  244.0570536  595161404331222 1    32 923 1      C-13-H3C(O)CH3
  783354.1121  0.0163 -4.3614 3  528.3881356  595161404442915 4    432815 4      C-13-H3C(O)CH3
  783380.8364  0.0169 -5.3470 3  246.4085244  5951614043023 7 4    2920 9 4      C-13-H3C(O)CH3
  783404.9798  0.0055 -4.2155 3  244.0680536  595161404331222 0    32 923 0      C-13-H3C(O)CH3
  783404.9798  0.0055 -4.2155 3  244.0680536  595161404331122 0    321023 0      C-13-H3C(O)CH3
  783409.5658  0.0201 -5.4510 3  246.4239488  5951614043023 8 2    2920 9 2      C-13-H3C(O)CH3
  783513.5494  0.0123 -5.0795 3  246.4232488  5951614043023 7 1    2920 9 1      C-13-H3C(O)CH3
  783578.5663  0.0244 -4.5893 3  991.9621A96  595161404681653 0    671652 0      C-13-H3C(O)CH3
  783578.5663  0.0244 -4.2676 3  991.9621A96  595161404681653 0    671552 0      C-13-H3C(O)CH3
  783578.5663  0.0244 -4.5893 3  991.9621A96  595161404681553 0    671552 0      C-13-H3C(O)CH3
  783578.5663  0.0244 -4.2676 3  991.9621A96  595161404681553 0    671652 0      C-13-H3C(O)CH3
  783616.6931  0.0284 -4.5686 3  991.9560A96  595161404681653 1    671552 1      C-13-H3C(O)CH3
  783616.6931  0.0284 -4.5686 3  991.9560A96  595161404681553 1    671652 1      C-13-H3C(O)CH3
  783616.6931  0.0284 -4.2778 3  991.9560A96  595161404681553 1    671552 1      C-13-H3C(O)CH3
  783616.6931  0.0284 -4.2778 3  991.9560A96  595161404681653 1    671652 1      C-13-H3C(O)CH3
  783617.0280  0.0283 -5.0953 3  991.9559A96  595161404681653 2    671552 2      C-13-H3C(O)CH3
  783617.0280  0.0283 -4.1443 3  991.9559A96  595161404681653 2    671652 2      C-13-H3C(O)CH3
  783617.0280  0.0283 -4.1443 3  991.9559A96  595161404681553 2    671552 2      C-13-H3C(O)CH3
  783617.0280  0.0283 -5.0953 3  991.9559A96  595161404681553 2    671652 2      C-13-H3C(O)CH3
  783655.1928  0.0302 -4.4000 3  991.9498548  595161404681553 3    671652 3      C-13-H3C(O)CH3
  783655.1928  0.0302 -4.4000 3  991.9498548  595161404681653 3    671552 3      C-13-H3C(O)CH3
  783655.2551  0.0302 -4.7343 3  991.9498548  595161404681553 4    671552 4      C-13-H3C(O)CH3
  783655.2551  0.0302 -4.6687 3  991.9498548  595161404681553 4    671652 4      C-13-H3C(O)CH3
  783655.2551  0.0302 -4.7343 3  991.9498548  595161404681653 4    671652 4      C-13-H3C(O)CH3
  783655.2551  0.0302 -4.6687 3  991.9498548  595161404681653 4    671552 4      C-13-H3C(O)CH3
  783812.9582  0.0146 -5.1719 3  246.4239488  5951614043023 7 2    2920 9 2      C-13-H3C(O)CH3
  783846.3765  0.0116 -4.9887 3  246.4415488  5951614043023 8 0    2920 9 0      C-13-H3C(O)CH3
  783863.3428  0.0066 -4.3291 3  302.0917284  595161404351619 4    341520 4      C-13-H3C(O)CH3
  783863.5385  0.0063 -4.3291 3  302.0918284  595161404351619 3    341520 3      C-13-H3C(O)CH3
  783867.7046  0.0066 -4.3291 3  302.0917284  595161404351719 4    341420 4      C-13-H3C(O)CH3
  783867.9159  0.0063 -4.3291 3  302.0917284  595161404351719 3    341420 3      C-13-H3C(O)CH3
  783903.4144  0.0059 -4.0282 3  302.1145568  595161404351619 2    341520 2      C-13-H3C(O)CH3
  783907.7726  0.0059 -4.0282 3  302.1145568  595161404351719 2    341420 2      C-13-H3C(O)CH3
  783927.5284  0.0058 -4.0282 3  302.1170568  595161404351619 1    341520 1      C-13-H3C(O)CH3
  783931.7070  0.0058 -4.0282 3  302.1170568  595161404351719 1    341420 1      C-13-H3C(O)CH3
  783967.3952  0.0054 -4.0282 3  302.1397568  595161404351619 0    341520 0      C-13-H3C(O)CH3
  783971.5575  0.0054 -4.0282 3  302.1397568  595161404351719 0    341420 0      C-13-H3C(O)CH3
  784019.0266  0.0222 -4.1025 3  858.1732936  595161404582632 0    572731 0      C-13-H3C(O)CH3
  784019.0362  0.0222 -4.1025 3  858.1731936  595161404582732 0    572631 0      C-13-H3C(O)CH3
  784020.3570  0.0154 -5.3418 3  246.3540244  5951614043023 8 4    292010 4      C-13-H3C(O)CH3
  784066.4932  0.0233 -4.1026 3  858.1772936  595161404582632 1    572731 1      C-13-H3C(O)CH3
  784066.5048  0.0233 -4.1026 3  858.1772936  595161404582732 1    572631 1      C-13-H3C(O)CH3
  784070.8083  0.0249 -4.1026 3  858.1776936  595161404582632 2    572731 2      C-13-H3C(O)CH3
  784070.8193  0.0249 -4.1026 3  858.1776936  595161404582732 2    572631 2      C-13-H3C(O)CH3
  784085.5377  0.0204 -4.1094 3  840.0392920  595161404572730 0    562829 0      C-13-H3C(O)CH3
  784086.0441  0.0204 -4.1094 3  840.0392920  595161404572830 0    562729 0      C-13-H3C(O)CH3
  784118.3384  0.0264 -4.4037 3  858.1816468  595161404582632 3    572731 3      C-13-H3C(O)CH3
  784118.3516  0.0264 -4.4037 3  858.1816468  595161404582732 3    572631 3      C-13-H3C(O)CH3
  784118.4358  0.0264 -4.4037 3  858.1816468  595161404582632 4    572731 4      C-13-H3C(O)CH3
  784118.4489  0.0264 -4.4037 3  858.1816468  595161404582732 4    572631 4      C-13-H3C(O)CH3
  784136.1672  0.0215 -4.1095 3  840.0423920  595161404572730 1    562829 1      C-13-H3C(O)CH3
  784136.7403  0.0215 -4.1095 3  840.0423920  595161404572830 1    562729 1      C-13-H3C(O)CH3
  784142.1336  0.0233 -4.1094 3  840.0425920  595161404572730 2    562829 2      C-13-H3C(O)CH3
  784142.6942  0.0233 -4.1094 3  840.0425920  595161404572830 2    562729 2      C-13-H3C(O)CH3
  784156.1106  0.0048 -3.2962 3  501.9112664 -5951614044135 6 0    4034 7 0      C-13-H3C(O)CH3
  784156.1106  0.0048 -3.2962 3  501.9112664 -5951614044135 7 0    4034 6 0      C-13-H3C(O)CH3
  784192.8325  0.0249 -4.4106 3  840.0456460  595161404572730 3    562829 3      C-13-H3C(O)CH3
  784192.9395  0.0249 -4.4106 3  840.0456460  595161404572730 4    562829 4      C-13-H3C(O)CH3
  784193.4668  0.0249 -4.4106 3  840.0456460  595161404572830 3    562729 3      C-13-H3C(O)CH3
  784193.5702  0.0249 -4.4106 3  840.0456460  595161404572830 4    562729 4      C-13-H3C(O)CH3
  784197.3958  0.0165 -5.4419 3  246.3615244  5951614043023 8 3    292010 3      C-13-H3C(O)CH3
  784231.7524  0.0052 -3.2962 3  501.8869664 -5951614044135 7 2    4034 7 2      C-13-H3C(O)CH3
  784266.8728  0.0053 -3.2961 3  501.9081664 -5951614044135 6 2    4034 6 2      C-13-H3C(O)CH3
  784272.2528  0.0052 -3.2961 3  501.8709664 -5951614044135 7 1    4034 7 1      C-13-H3C(O)CH3
  784296.3174  0.0120 -5.0773 3  246.3772488  5951614043023 8 1    292010 1      C-13-H3C(O)CH3
  784296.9874  0.0190 -4.9645 3 1046.6528612  59516140476 670 4    75 669 4      C-13-H3C(O)CH3
  784296.9874  0.0190 -4.5012 3 1046.6528612  59516140476 670 4    75 769 4      C-13-H3C(O)CH3
  784296.9874  0.0190 -4.9645 3 1046.6528612  59516140476 770 4    75 769 4      C-13-H3C(O)CH3
  784296.9874  0.0190 -4.5012 3 1046.6528612  59516140476 770 4    75 669 4      C-13-H3C(O)CH3
  784297.0215  0.0190 -4.3735 3 1046.6528612  59516140476 670 3    75 769 3      C-13-H3C(O)CH3
  784297.0215  0.0190 -4.3735 3 1046.6528612  59516140476 770 3    75 669 3      C-13-H3C(O)CH3
  784298.5086  0.0355 -4.1256 3 1046.6853C24  59516140476 770 1    75 669 1      C-13-H3C(O)CH3
  784298.5086  0.0355 -4.1256 3 1046.6853C24  59516140476 670 1    75 769 1      C-13-H3C(O)CH3
  784298.5086  0.0355 -5.0055 3 1046.6853C24  59516140476 770 1    75 769 1      C-13-H3C(O)CH3
  784298.5086  0.0355 -5.0055 3 1046.6853C24  59516140476 670 1    75 669 1      C-13-H3C(O)CH3
  784298.7096  0.0349 -4.9878 3 1046.6852C24  59516140476 670 2    75 769 2      C-13-H3C(O)CH3
  784298.7096  0.0349 -4.9878 3 1046.6852C24  59516140476 770 2    75 669 2      C-13-H3C(O)CH3
  784298.7096  0.0349 -4.1280 3 1046.6852C24  59516140476 770 2    75 769 2      C-13-H3C(O)CH3
  784298.7096  0.0349 -4.1280 3 1046.6852C24  59516140476 670 2    75 669 2      C-13-H3C(O)CH3
  784300.2061  0.0201 -4.3395 3 1046.7177C24  59516140476 670 0    75 769 0      C-13-H3C(O)CH3
  784300.2061  0.0201 -4.4091 3 1046.7177C24  59516140476 670 0    75 669 0      C-13-H3C(O)CH3
  784300.2061  0.0201 -4.2656 3 1046.7177C24  59516140476 770 0    75 669 0      C-13-H3C(O)CH3
  784300.2061  0.0201 -4.5156 3 1046.7177C24  59516140476 770 0    75 769 0      C-13-H3C(O)CH3
  784300.4601  0.0240 -4.0997 3  875.6470952  595161404592534 0    582633 0      C-13-H3C(O)CH3
  784300.4603  0.0240 -4.0997 3  875.6470952  595161404592634 0    582533 0      C-13-H3C(O)CH3
  784334.1873  0.0054 -3.2960 3  501.9100664 -5951614044135 6 1    4034 6 1      C-13-H3C(O)CH3
  784345.7909  0.0250 -4.0998 3  875.6517952  595161404592534 1    582633 1      C-13-H3C(O)CH3
  784345.7910  0.0250 -4.0998 3  875.6517952  595161404592634 1    582533 1      C-13-H3C(O)CH3
  784348.3707  0.0627 -4.1223 3  673.3717808  595161404503021 0    492920 0      C-13-H3C(O)CH3
  784348.5772  0.0073 -3.5971 3  501.8465332  5951614044135 7 4    4034 7 4      C-13-H3C(O)CH3
  784349.0784  0.0264 -4.0998 3  875.6521952  595161404592534 2    582633 2      C-13-H3C(O)CH3
  784349.0786  0.0264 -4.0998 3  875.6521952  595161404592634 2    582533 2      C-13-H3C(O)CH3
  784383.0020  0.0074 -3.5971 3  501.8678332  5951614044135 7 3    4034 7 3      C-13-H3C(O)CH3
  784387.6671  0.0241 -5.8058 3  246.3615244  5951614043023 7 3    292010 3      C-13-H3C(O)CH3
  784394.4672  0.0278 -4.4008 3  875.6567476  595161404592534 3    582633 3      C-13-H3C(O)CH3
  784394.4675  0.0278 -4.4008 3  875.6567476  595161404592634 3    582533 3      C-13-H3C(O)CH3
  784394.5594  0.0279 -4.4008 3  875.6567476  595161404592534 4    582633 4      C-13-H3C(O)CH3
  784394.5597  0.0279 -4.4008 3  875.6567476  595161404592634 4    582533 4      C-13-H3C(O)CH3
  784409.8747  0.0073 -3.5970 3  501.8857332  5951614044135 6 3    4034 6 3      C-13-H3C(O)CH3
  784444.2676  0.0076 -3.5970 3  501.9068332  5951614044135 6 4    4034 6 4      C-13-H3C(O)CH3
  784531.4058  0.0151 -5.1685 3  246.3865488  5951614043023 8 2    292010 2      C-13-H3C(O)CH3
  784661.0757  0.0233 -4.1018 3 1003.1102B12  595161404691455 0    681454 0      C-13-H3C(O)CH3
  784661.0757  0.0233 -4.1018 3 1003.1102B12  595161404691555 0    681554 0      C-13-H3C(O)CH3
  784697.7310  0.0291 -4.4858 3 1003.1016B12  595161404691555 1    681554 1      C-13-H3C(O)CH3
  784697.7310  0.0291 -4.3327 3 1003.1016B12  595161404691555 1    681454 1      C-13-H3C(O)CH3
  784697.7310  0.0291 -4.1018 3 1003.1016B12  595161404691455 1    681454 1      C-13-H3C(O)CH3
  784697.9352  0.0287 -5.3830 3 1003.1014B12  595161404691555 2    681554 2      C-13-H3C(O)CH3
  784697.9352  0.0287 -4.1248 3 1003.1014B12  595161404691555 2    681454 2      C-13-H3C(O)CH3
  784697.9352  0.0287 -4.1248 3 1003.1014B12  595161404691455 2    681554 2      C-13-H3C(O)CH3
  784697.9352  0.0287 -5.3830 3 1003.1014B12  595161404691455 2    681454 2      C-13-H3C(O)CH3
  784722.8920  0.0187 -4.1229 3  821.1948904  595161404562828 0    552927 0      C-13-H3C(O)CH3
  784734.6261  0.0295 -4.6394 3 1003.0928556  595161404691455 3    681454 3      C-13-H3C(O)CH3
  784734.6261  0.0295 -4.7788 3 1003.0928556  595161404691555 3    681454 3      C-13-H3C(O)CH3
  784734.6261  0.0295 -4.6394 3 1003.0928556  595161404691555 3    681554 3      C-13-H3C(O)CH3
  784734.6261  0.0295 -4.7788 3 1003.0928556  595161404691455 3    681554 3      C-13-H3C(O)CH3
  784734.6831  0.0295 -4.4614 3 1003.0928556  595161404691555 4    681454 4      C-13-H3C(O)CH3
  784734.6831  0.0295 -5.2996 3 1003.0928556  595161404691555 4    681554 4      C-13-H3C(O)CH3
  784734.6831  0.0295 -4.4614 3 1003.0928556  595161404691455 4    681554 4      C-13-H3C(O)CH3
  784734.6831  0.0295 -5.2996 3 1003.0928556  595161404691455 4    681454 4      C-13-H3C(O)CH3
  784743.0247  0.0186 -4.1228 3  821.1943904  595161404562928 0    552827 0      C-13-H3C(O)CH3
  784777.9945  0.0198 -4.1230 3  821.1964904  595161404562828 1    552927 1      C-13-H3C(O)CH3
  784786.8843  0.0218 -4.1230 3  821.1963904  595161404562828 2    552927 2      C-13-H3C(O)CH3
  784799.8353  0.0197 -4.1230 3  821.1958904  595161404562928 1    552827 1      C-13-H3C(O)CH3
  784807.1548  0.0256 -4.0996 3  892.4930968  595161404602536 0    592435 0      C-13-H3C(O)CH3
  784807.1548  0.0256 -4.0996 3  892.4930968  595161404602436 0    592535 0      C-13-H3C(O)CH3
  784808.6049  0.0215 -4.1230 3  821.1957904  595161404562928 2    552827 2      C-13-H3C(O)CH3
  784842.0118  0.0233 -4.4242 3  821.1978452  595161404562828 3    552927 3      C-13-H3C(O)CH3
  784842.1697  0.0234 -4.4242 3  821.1978452  595161404562828 4    552927 4      C-13-H3C(O)CH3
  784850.9834  0.0266 -4.0997 3  892.4979968  595161404602536 1    592435 1      C-13-H3C(O)CH3
  784850.9834  0.0266 -4.0997 3  892.4979968  595161404602436 1    592535 1      C-13-H3C(O)CH3
  784853.5871  0.0278 -4.0997 3  892.4983968  595161404602536 2    592435 2      C-13-H3C(O)CH3
  784853.5871  0.0278 -4.0997 3  892.4983968  595161404602436 2    592535 2      C-13-H3C(O)CH3
  784865.5766  0.0230 -4.4241 3  821.1972452  595161404562928 3    552827 3      C-13-H3C(O)CH3
  784865.6579  0.0230 -4.4241 3  821.1972452  595161404562928 4    552827 4      C-13-H3C(O)CH3
  784879.7187  0.0516 -4.1218 3  673.3488808  595161404503021 1    492920 1      C-13-H3C(O)CH3
  784889.9152  0.0173 -5.7022 3  246.3772488  5951614043023 7 1    292010 1      C-13-H3C(O)CH3
  784897.4700  0.0292 -4.4007 3  892.5033484  595161404602436 3    592535 3      C-13-H3C(O)CH3
  784897.4700  0.0292 -4.4007 3  892.5033484  595161404602536 3    592435 3      C-13-H3C(O)CH3
  784897.5583  0.0292 -4.4007 3  892.5033484  595161404602436 4    592535 4      C-13-H3C(O)CH3
  784897.5583  0.0292 -4.4007 3  892.5033484  595161404602536 4    592435 4      C-13-H3C(O)CH3
  784903.1746  0.0116 -4.3593 3  528.2309356  595161404442916 4    432816 4      C-13-H3C(O)CH3
  784908.9093  0.0114 -4.9881 3  246.4062488  5951614043023 7 0    292010 0      C-13-H3C(O)CH3
  784929.1105  0.0071 -4.6762 3  528.2449712  595161404442916 1    432816 1      C-13-H3C(O)CH3
  784932.0370  0.0092 -4.3420 3  528.2467712  595161404442916 2    432816 2      C-13-H3C(O)CH3
  784934.7983  0.0190 -5.4531 3  246.3865488  5951614043023 7 2    292010 2      C-13-H3C(O)CH3
  785010.4283  0.0096 -3.9774 3  354.5106600  595161404372017 2    361918 2      C-13-H3C(O)CH3
  785047.0330  0.0109 -4.2782 3  354.4867300  595161404372017 3    361918 3      C-13-H3C(O)CH3
  785049.3846  0.0106 -4.2782 3  354.4867300  595161404372017 4    361918 4      C-13-H3C(O)CH3
  785065.1160  0.0073 -3.9776 3  354.5390600  595161404372017 0    361918 0      C-13-H3C(O)CH3
  785101.7771  0.0082 -3.9773 3  354.5151600  595161404372017 1    361918 1      C-13-H3C(O)CH3
  785132.2549  0.0899 -4.1215 3  673.3382808  595161404503021 2    492920 2      C-13-H3C(O)CH3
  785146.0440  0.0073 -5.4115 3  528.2404356  595161404442916 3    432816 3      C-13-H3C(O)CH3
  785193.0704  0.5360 -5.9234 3 1194.5108532  595161404664126 4    654223 4      C-13-H3C(O)CH3
  785212.5726  0.0093 -6.1500 3  211.2670260  59516140432 924 4    31 725 4      C-13-H3C(O)CH3
  785212.5726  0.0093 -4.7424 3  211.2670260  59516140432 824 4    31 725 4      C-13-H3C(O)CH3
  785212.5726  0.0093 -6.1440 3  211.2670260  59516140432 824 4    31 625 4      C-13-H3C(O)CH3
  785212.5726  0.0093 -4.7422 3  211.2670260  59516140432 924 4    31 625 4      C-13-H3C(O)CH3
  785212.9792  0.0079 -4.7368 3  211.2670260  59516140432 924 3    31 725 3      C-13-H3C(O)CH3
  785212.9792  0.0079 -4.7368 3  211.2670260  59516140432 824 3    31 625 3      C-13-H3C(O)CH3
  785303.9916  0.0227 -3.8778 3  573.0308744  595161404462918 0    452817 0      C-13-H3C(O)CH3
  785330.9149  0.3253 -5.8880 3 1194.5071532  595161404664126 3    654223 3      C-13-H3C(O)CH3
  785426.1358  0.0537 -4.5146 3  781.0359436  595161404543024 3    533123 3      C-13-H3C(O)CH3
  785433.3856  0.0528 -4.5146 3  781.0357436  595161404543024 4    533123 4      C-13-H3C(O)CH3
  785467.4012  0.0271 -4.1552 3  908.7330984  595161404612338 0    602337 0      C-13-H3C(O)CH3
  785467.4012  0.0271 -5.0339 3  908.7330984  595161404612338 0    602437 0      C-13-H3C(O)CH3
  785467.4012  0.0271 -5.0339 3  908.7330984  595161404612438 0    602337 0      C-13-H3C(O)CH3
  785467.4012  0.0271 -4.1552 3  908.7330984  595161404612438 0    602437 0      C-13-H3C(O)CH3
  785478.1796  0.0163 -5.7618 3 1052.9232620  59516140477 672 4    76 571 4      C-13-H3C(O)CH3
  785478.1796  0.0163 -4.3887 3 1052.9232620  59516140477 572 4    76 571 4      C-13-H3C(O)CH3
  785478.1796  0.0163 -5.7618 3 1052.9232620  59516140477 572 4    76 671 4      C-13-H3C(O)CH3
  785478.1796  0.0163 -4.3887 3 1052.9232620  59516140477 672 4    76 671 4      C-13-H3C(O)CH3
  785478.2222  0.0163 -5.5757 3 1052.9232620  59516140477 572 3    76 571 3      C-13-H3C(O)CH3
  785478.2222  0.0163 -5.5757 3 1052.9232620  59516140477 672 3    76 671 3      C-13-H3C(O)CH3
  785478.2222  0.0163 -4.3986 3 1052.9232620  59516140477 672 3    76 571 3      C-13-H3C(O)CH3
  785478.2222  0.0163 -4.3986 3 1052.9232620  59516140477 572 3    76 671 3      C-13-H3C(O)CH3
  785487.5018  0.0295 -4.1006 3 1052.9549C40  59516140477 572 1    76 671 1      C-13-H3C(O)CH3
  785487.5018  0.0295 -5.2321 3 1052.9549C40  59516140477 572 1    76 571 1      C-13-H3C(O)CH3
  785487.5018  0.0295 -4.1006 3 1052.9549C40  59516140477 672 1    76 571 1      C-13-H3C(O)CH3
  785487.5018  0.0295 -5.2321 3 1052.9549C40  59516140477 672 1    76 671 1      C-13-H3C(O)CH3
  785487.7099  0.0291 -4.2367 3 1052.9548C40  59516140477 572 2    76 671 2      C-13-H3C(O)CH3
  785487.7099  0.0291 -4.2367 3 1052.9548C40  59516140477 672 2    76 571 2      C-13-H3C(O)CH3
  785487.7099  0.0291 -4.5655 3 1052.9548C40  59516140477 572 2    76 571 2      C-13-H3C(O)CH3
  785487.7099  0.0291 -4.5655 3 1052.9548C40  59516140477 672 2    76 671 2      C-13-H3C(O)CH3
  785488.6867  0.0044 -3.3783 3  508.5458680 -595161404423310 0    4132 9 0      C-13-H3C(O)CH3
  785488.6867  0.0044 -3.3783 3  508.5458680 -5951614044233 9 0    413210 0      C-13-H3C(O)CH3
  785495.4636  0.0174 -4.4872 3 1052.9865C40 -59516140477 672 0    76 571 0      C-13-H3C(O)CH3
  785495.4636  0.0174 -4.2790 3 1052.9865C40 -59516140477 572 0    76 571 0      C-13-H3C(O)CH3
  785496.9946  0.0174 -4.2790 3 1052.9865C40  59516140477 672 0    76 671 0      C-13-H3C(O)CH3
  785496.9946  0.0174 -4.4872 3 1052.9865C40  59516140477 572 0    76 671 0      C-13-H3C(O)CH3
  785507.0868  0.0409 -4.2126 3  781.0392872  595161404543024 1    533123 1      C-13-H3C(O)CH3
  785509.7385  0.0587 -4.2127 3  781.0377872  595161404543024 2    533123 2      C-13-H3C(O)CH3
  785510.1503  0.0280 -4.1428 3  908.7379984  595161404612338 1    602437 1      C-13-H3C(O)CH3
  785510.1503  0.0280 -5.1419 3  908.7379984  595161404612438 1    602437 1      C-13-H3C(O)CH3
  785510.1503  0.0280 -5.1419 3  908.7379984  595161404612338 1    602337 1      C-13-H3C(O)CH3
  785510.1503  0.0280 -4.1428 3  908.7379984  595161404612438 1    602337 1      C-13-H3C(O)CH3
  785512.2714  0.0290 -4.1414 3  908.7382984  595161404612338 2    602337 2      C-13-H3C(O)CH3
  785512.2714  0.0290 -5.1560 3  908.7382984  595161404612338 2    602437 2      C-13-H3C(O)CH3
  785512.2714  0.0290 -5.1444 3  908.7382984  595161404612438 2    602437 2      C-13-H3C(O)CH3
  785512.2714  0.0290 -4.1425 3  908.7382984  595161404612438 2    602337 2      C-13-H3C(O)CH3
  785555.0721  0.0304 -4.4075 3  908.7432492  595161404612438 3    602337 3      C-13-H3C(O)CH3
  785555.0721  0.0304 -4.4075 3  908.7432492  595161404612338 3    602437 3      C-13-H3C(O)CH3
  785555.1573  0.0304 -4.4024 3  908.7432492  595161404612438 4    602437 4      C-13-H3C(O)CH3
  785555.1573  0.0304 -4.4049 3  908.7432492  595161404612338 4    602337 4      C-13-H3C(O)CH3
  785571.5451  0.0067 -4.7067 3  211.2622520  59516140432 824 2    31 725 2      C-13-H3C(O)CH3
  785571.5451  0.0067 -4.7440 3  211.2622520  59516140432 824 2    31 625 2      C-13-H3C(O)CH3
  785571.5451  0.0067 -4.6191 3  211.2622520  59516140432 924 2    31 625 2      C-13-H3C(O)CH3
  785571.5451  0.0067 -4.8653 3  211.2622520  59516140432 924 2    31 725 2      C-13-H3C(O)CH3
  785571.7444  0.0197 -3.8777 3  573.0152744  595161404462918 1    452817 1      C-13-H3C(O)CH3
  785579.7272  0.0071 -4.4344 3  211.2630520  59516140432 824 1    31 625 1      C-13-H3C(O)CH3
  785579.7272  0.0071 -6.0510 3  211.2630520  59516140432 924 1    31 625 1      C-13-H3C(O)CH3
  785579.7272  0.0071 -4.4344 3  211.2630520  59516140432 924 1    31 725 1      C-13-H3C(O)CH3
  785579.7272  0.0071 -6.0510 3  211.2630520  59516140432 824 1    31 725 1      C-13-H3C(O)CH3
  785580.3690  0.0053 -3.3783 3  508.5165680 -595161404423310 1    413210 1      C-13-H3C(O)CH3
  785583.3947  0.0443 -4.2117 3  781.0411872  595161404543024 0    533123 0      C-13-H3C(O)CH3
  785583.7986  0.0050 -3.3784 3  508.5565680 -5951614044233 9 2    4132 9 2      C-13-H3C(O)CH3
  785587.2863  0.0052 -3.3783 3  508.5346680 -595161404423310 2    413210 2      C-13-H3C(O)CH3
  785614.0357  0.0104 -5.8307 3  179.7603440  595161404271512 2    261215 2      C-13-H3C(O)CH3
  785631.8892  0.0125 -6.1320 3  179.7573220  595161404271512 3    261215 3      C-13-H3C(O)CH3
  785635.5229  0.3016 -5.5992 3 1194.4741A64  595161404664126 1    654223 1      C-13-H3C(O)CH3
  785635.9564  0.0050 -3.3782 3  508.5442680 -5951614044233 9 1    4132 9 1      C-13-H3C(O)CH3
  785644.9121  0.0145 -6.1321 3  179.7574220  595161404271512 4    261215 4      C-13-H3C(O)CH3
  785648.1697  0.0800 -4.4221 3  673.3157404  595161404503021 4    492920 4      C-13-H3C(O)CH3
  785676.0740  0.0068 -3.6794 3  508.5271340  595161404423310 3    413210 3      C-13-H3C(O)CH3
  785678.7713  0.0825 -4.4219 3  673.3152404  595161404503021 3    492920 3      C-13-H3C(O)CH3
  785679.6153  0.0071 -3.6793 3  508.5050340  595161404423310 4    413210 4      C-13-H3C(O)CH3
  785702.5828  0.3965 -5.5942 3 1194.4694A64  595161404664126 2    654223 2      C-13-H3C(O)CH3
  785730.9349  0.0070 -3.6794 3  508.5549340  5951614044233 9 4    4132 9 4      C-13-H3C(O)CH3
  785735.0689  0.0067 -3.6792 3  508.5329340  5951614044233 9 3    4132 9 3      C-13-H3C(O)CH3
  785760.2743  0.0222 -5.7282 3 1013.7155B28  595161404701457 0    691356 0      C-13-H3C(O)CH3
  785760.2743  0.0222 -4.1149 3 1013.7155B28  595161404701457 0    691456 0      C-13-H3C(O)CH3
  785760.2743  0.0222 -5.7282 3 1013.7155B28  595161404701357 0    691456 0      C-13-H3C(O)CH3
  785760.2743  0.0222 -4.1149 3 1013.7155B28  595161404701357 0    691356 0      C-13-H3C(O)CH3
  785794.9764  0.0304 -4.1582 3 1013.7040B28  595161404701457 1    691356 1      C-13-H3C(O)CH3
  785794.9764  0.0304 -5.0380 3 1013.7040B28  595161404701457 1    691456 1      C-13-H3C(O)CH3
  785794.9764  0.0304 -5.0380 3 1013.7040B28  595161404701357 1    691356 1      C-13-H3C(O)CH3
  785794.9764  0.0304 -4.1582 3 1013.7040B28  595161404701357 1    691456 1      C-13-H3C(O)CH3
  785795.0761  0.0297 -4.2062 3 1013.7038B28  595161404701357 2    691456 2      C-13-H3C(O)CH3
  785795.0761  0.0297 -4.7845 3 1013.7038B28  595161404701357 2    691356 2      C-13-H3C(O)CH3
  785795.0761  0.0297 -4.6723 3 1013.7038B28  595161404701457 2    691456 2      C-13-H3C(O)CH3
  785795.0761  0.0297 -4.2413 3 1013.7038B28  595161404701457 2    691356 2      C-13-H3C(O)CH3
  785802.7649  0.0325 -3.8779 3  573.0076744  595161404462918 2    452817 2      C-13-H3C(O)CH3
  785829.8108  0.0288 -4.6389 3 1013.6923564  595161404701457 3    691356 3      C-13-H3C(O)CH3
  785829.8108  0.0288 -4.6389 3 1013.6923564  595161404701357 3    691456 3      C-13-H3C(O)CH3
  785829.8108  0.0288 -4.7864 3 1013.6923564  595161404701357 3    691356 3      C-13-H3C(O)CH3
  785829.8108  0.0288 -4.7864 3 1013.6923564  595161404701457 3    691456 3      C-13-H3C(O)CH3
  785829.8614  0.0288 -4.9373 3 1013.6923564  595161404701457 4    691356 4      C-13-H3C(O)CH3
  785829.8614  0.0288 -4.5565 3 1013.6923564  595161404701357 4    691356 4      C-13-H3C(O)CH3
  785829.8614  0.0288 -4.9373 3 1013.6923564  595161404701357 4    691456 4      C-13-H3C(O)CH3
  785829.8614  0.0288 -4.5565 3 1013.6923564  595161404701457 4    691456 4      C-13-H3C(O)CH3
  785836.3750  0.0096 -5.8299 3  179.7661440  595161404271512 0    261215 0      C-13-H3C(O)CH3
  785858.1473  0.0106 -5.8306 3  179.7631440  595161404271512 1    261215 1      C-13-H3C(O)CH3
  785937.5935  0.0066 -4.4238 3  211.2583520  59516140432 824 0    31 725 0      C-13-H3C(O)CH3
  785937.5935  0.0066 -4.4238 3  211.2583520  59516140432 924 0    31 625 0      C-13-H3C(O)CH3
  785953.8087  0.0050 -3.4884 3  517.1828696 -595161404433113 0    423012 0      C-13-H3C(O)CH3
  785978.0144  0.0050 -3.4884 3  517.1822696  595161404433112 0    423013 0      C-13-H3C(O)CH3
  785987.5473  0.0267 -4.1823 3  572.9929372  595161404462918 4    452817 4      C-13-H3C(O)CH3
  786052.2065  0.0061 -3.4885 3  517.1603696 -595161404433113 1    423013 1      C-13-H3C(O)CH3
  786079.1506  0.2540 -5.5872 3 1194.4346A64  595161404664126 0    654223 0      C-13-H3C(O)CH3
  786086.0744  0.0052 -3.4886 3  517.2046696 -595161404433112 2    423012 2      C-13-H3C(O)CH3
  786101.0557  0.0051 -3.4885 3  517.1859696 -595161404433112 1    423012 1      C-13-H3C(O)CH3
  786102.9513  0.0058 -3.4881 3  517.1703696 -595161404433113 2    423013 2      C-13-H3C(O)CH3
  786144.7710  0.0368 -4.1754 3  572.9912372  595161404462918 3    452817 3      C-13-H3C(O)CH3
  786172.8242  0.0070 -3.7906 3  517.1822348  595161404433112 3    423012 3      C-13-H3C(O)CH3
  786189.4493  0.0076 -3.7891 3  517.1479348  595161404433113 4    423013 4      C-13-H3C(O)CH3
  786190.9125  0.0182 -4.1488 3  801.5575888  595161404552926 0    543025 0      C-13-H3C(O)CH3
  786222.1708  0.0063 -3.7896 3  517.2078348  595161404433112 4    423012 4      C-13-H3C(O)CH3
  786236.5527  0.0283 -4.1043 3  924.3825A00  595161404622340 0    612339 0      C-13-H3C(O)CH3
  786236.5527  0.0283 -4.1043 3  924.3825A00  595161404622240 0    612239 0      C-13-H3C(O)CH3
  786239.1893  0.0068 -3.7902 3  517.1735348  595161404433113 3    423013 3      C-13-H3C(O)CH3
  786242.1874  0.0193 -4.1491 3  801.5569888  595161404552926 1    543025 1      C-13-H3C(O)CH3
  786256.0878  0.0225 -4.1491 3  801.5563888  595161404552926 2    543025 2      C-13-H3C(O)CH3
  786278.5186  0.0292 -4.6401 3  924.3871A00  595161404622240 1    612339 1      C-13-H3C(O)CH3
  786278.5186  0.0292 -4.2963 3  924.3871A00  595161404622340 1    612239 1      C-13-H3C(O)CH3
  786278.5186  0.0292 -4.2536 3  924.3871A00  595161404622340 1    612339 1      C-13-H3C(O)CH3
  786278.5186  0.0292 -4.5510 3  924.3871A00  595161404622240 1    612239 1      C-13-H3C(O)CH3
  786280.2784  0.0300 -5.0815 3  924.3874A00  595161404622240 2    612239 2      C-13-H3C(O)CH3
  786280.2784  0.0300 -4.1525 3  924.3874A00  595161404622340 2    612239 2      C-13-H3C(O)CH3
  786280.2784  0.0300 -4.8506 3  924.3874A00  595161404622340 2    612339 2      C-13-H3C(O)CH3
  786280.2784  0.0300 -4.1900 3  924.3874A00  595161404622240 2    612339 2      C-13-H3C(O)CH3
  786306.6046  0.0239 -4.4504 3  801.5557444  595161404552926 3    543025 3      C-13-H3C(O)CH3
  786307.3682  0.0238 -4.4504 3  801.5556444  595161404552926 4    543025 4      C-13-H3C(O)CH3
  786322.2936  0.0314 -4.9659 3  924.3921500  595161404622240 3    612239 3      C-13-H3C(O)CH3
  786322.2936  0.0314 -4.9659 3  924.3921500  595161404622340 3    612339 3      C-13-H3C(O)CH3
  786322.2936  0.0314 -4.5449 3  924.3921500  595161404622340 3    612239 3      C-13-H3C(O)CH3
  786322.2936  0.0314 -4.5449 3  924.3921500  595161404622240 3    612339 3      C-13-H3C(O)CH3
  786322.3761  0.0314 -4.4052 3  924.3921500  595161404622340 4    612339 4      C-13-H3C(O)CH3
  786322.3761  0.0314 -4.4052 3  924.3921500  595161404622240 4    612239 4      C-13-H3C(O)CH3
  786395.0833  0.0146 -5.7684 3  177.8342252  59516140431 626 4    30 427 4      C-13-H3C(O)CH3
  786395.0833  0.0146 -5.1901 3  177.8342252  59516140431 626 4    30 327 4      C-13-H3C(O)CH3
  786395.0833  0.0146 -5.7684 3  177.8342252  59516140431 526 4    30 327 4      C-13-H3C(O)CH3
  786395.0833  0.0146 -5.1901 3  177.8342252  59516140431 526 4    30 427 4      C-13-H3C(O)CH3
  786395.1293  0.0128 -5.8442 3  177.8341252  59516140431 626 3    30 427 3      C-13-H3C(O)CH3
  786395.1293  0.0128 -5.8442 3  177.8341252  59516140431 526 3    30 327 3      C-13-H3C(O)CH3
  786395.1293  0.0128 -5.1721 3  177.8341252  59516140431 526 3    30 427 3      C-13-H3C(O)CH3
  786395.1293  0.0128 -5.1721 3  177.8341252  59516140431 626 3    30 327 3      C-13-H3C(O)CH3
  786423.5844  0.3069 -4.9449 3  849.9619452  595161404563323 3    553422 3      C-13-H3C(O)CH3
  786495.7132  0.2919 -4.9458 3  849.9599452  595161404563323 4    553422 4      C-13-H3C(O)CH3
  786521.8860  0.4315 -6.0320 3 1362.5246B28  595161404704624 2    694722 2      C-13-H3C(O)CH3
  786567.4187  0.4549 -6.0613 3 1362.5326B28  595161404704624 1    694722 1      C-13-H3C(O)CH3
  786593.7864  0.4736 -5.9772 3 1362.4808B28  595161404704625 0    694722 0      C-13-H3C(O)CH3
  786634.0154  0.0120 -3.7647 3  550.3053728 -595161404452917 0    442816 0      C-13-H3C(O)CH3
  786670.0106  0.0130 -4.8771 3 1058.6637628  59516140478 574 4    77 473 4      C-13-H3C(O)CH3
  786670.0106  0.0130 -4.5287 3 1058.6637628  59516140478 474 4    77 473 4      C-13-H3C(O)CH3
  786670.0106  0.0130 -4.5287 3 1058.6637628  59516140478 574 4    77 573 4      C-13-H3C(O)CH3
  786670.0106  0.0130 -4.8771 3 1058.6637628  59516140478 474 4    77 573 4      C-13-H3C(O)CH3
  786670.0532  0.0130 -4.9182 3 1058.6637628  59516140478 474 3    77 573 3      C-13-H3C(O)CH3
  786670.0532  0.0130 -4.5115 3 1058.6637628  59516140478 574 3    77 573 3      C-13-H3C(O)CH3
  786670.0532  0.0130 -4.5115 3 1058.6637628  59516140478 474 3    77 473 3      C-13-H3C(O)CH3
  786670.0532  0.0130 -4.9182 3 1058.6637628  59516140478 574 3    77 473 3      C-13-H3C(O)CH3
  786686.6744  0.0210 -4.3254 3 1058.6915C56  59516140478 574 1    77 573 1      C-13-H3C(O)CH3
  786686.6744  0.0210 -4.3254 3 1058.6915C56  59516140478 474 1    77 473 1      C-13-H3C(O)CH3
  786686.8297  0.0211 -4.4169 3 1058.6913C56  59516140478 474 2    77 473 2      C-13-H3C(O)CH3
  786686.8297  0.0211 -4.4169 3 1058.6913C56  59516140478 574 2    77 573 2      C-13-H3C(O)CH3
  786686.9812  0.0211 -4.3238 3 1058.6913C56 -59516140478 474 2    77 573 2      C-13-H3C(O)CH3
  786686.9812  0.0210 -4.4150 3 1058.6915C56 -59516140478 574 1    77 473 1      C-13-H3C(O)CH3
  786686.9812  0.0211 -4.3238 3 1058.6913C56 -59516140478 574 2    77 473 2      C-13-H3C(O)CH3
  786686.9812  0.0210 -4.4150 3 1058.6915C56 -59516140478 474 1    77 573 1      C-13-H3C(O)CH3
  786702.1908  0.0133 -4.1316 3 1058.7191C56 -59516140478 574 0    77 473 0      C-13-H3C(O)CH3
  786702.1908  0.0133 -4.9260 3 1058.7191C56 -59516140478 474 0    77 473 0      C-13-H3C(O)CH3
  786703.4489  0.0133 -4.1316 3 1058.7191C56  59516140478 474 0    77 573 0      C-13-H3C(O)CH3
  786703.4489  0.0133 -4.9260 3 1058.7191C56  59516140478 574 0    77 573 0      C-13-H3C(O)CH3
  786759.8428  0.0067 -3.9919 3  328.2628584  595161404361818 2    351719 2      C-13-H3C(O)CH3
  786763.7220  0.0105 -3.7706 3  550.2940728  595161404452917 1    442816 1      C-13-H3C(O)CH3
  786764.4557  0.0074 -4.2928 3  328.2388292  595161404361818 3    351719 3      C-13-H3C(O)CH3
  786764.6235  0.0074 -4.2928 3  328.2387292  595161404361818 4    351719 4      C-13-H3C(O)CH3
  786765.2820  0.4287 -6.0320 3 1362.5021B28  595161404704625 2    694723 2      C-13-H3C(O)CH3
  786767.0930  0.0172 -4.1481 3  801.5429888  595161404553026 0    542925 0      C-13-H3C(O)CH3
  786792.5021  0.0059 -3.9921 3  328.2902584  595161404361818 0    351719 0      C-13-H3C(O)CH3
  786796.0701  0.0181 -4.1048 3  550.2834364  595161404452917 4    442816 4      C-13-H3C(O)CH3
  786797.0198  0.0064 -3.9919 3  328.2662584  595161404361818 1    351719 1      C-13-H3C(O)CH3
  786849.4627  0.0178 -4.1483 3  801.5415888  595161404553026 1    542925 1      C-13-H3C(O)CH3
  786852.3992  0.0138 -3.7787 3  550.2926728  595161404452917 2    442816 2      C-13-H3C(O)CH3
  786864.7767  0.0180 -4.1483 3  801.5408888  595161404553026 2    542925 2      C-13-H3C(O)CH3
  786874.5915  0.0215 -4.7480 3 1023.7798B44  595161404711359 0    701358 0      C-13-H3C(O)CH3
  786874.5915  0.0215 -4.2196 3 1023.7798B44  595161404711359 0    701258 0      C-13-H3C(O)CH3
  786874.5915  0.0215 -4.7480 3 1023.7798B44  595161404711259 0    701258 0      C-13-H3C(O)CH3
  786874.5915  0.0215 -4.2196 3 1023.7798B44  595161404711259 0    701358 0      C-13-H3C(O)CH3
  786876.6373  0.2184 -4.7905 3  817.7272444  595161404553223 3    543322 3      C-13-H3C(O)CH3
  786881.2575  0.4773 -5.9769 3 1362.4804B28  595161404704624 0    694723 0      C-13-H3C(O)CH3
  786886.0151  0.0235 -6.0761 3  143.7848244  59516140430 228 3    29 129 3      C-13-H3C(O)CH3
  786886.0151  0.0235 -6.0761 3  143.7848244  59516140430 328 3    29 029 3      C-13-H3C(O)CH3
  786886.9950  0.0254 -6.0064 3  143.7848244  59516140430 328 4    29 129 4      C-13-H3C(O)CH3
  786886.9950  0.0254 -6.0078 3  143.7848244  59516140430 228 4    29 029 4      C-13-H3C(O)CH3
  786893.8619  0.0066 -3.9918 3  328.2627584  595161404361918 2    351619 2      C-13-H3C(O)CH3
  786898.5960  0.0073 -4.2927 3  328.2386292  595161404361918 4    351619 4      C-13-H3C(O)CH3
  786898.7209  0.0072 -4.2927 3  328.2386292  595161404361918 3    351619 3      C-13-H3C(O)CH3
  786906.7399  0.0325 -4.1140 3 1023.7652B44  595161404711259 1    701258 1      C-13-H3C(O)CH3
  786906.7399  0.0325 -5.8959 3 1023.7652B44  595161404711259 1    701358 1      C-13-H3C(O)CH3
  786906.7399  0.0325 -4.1140 3 1023.7652B44  595161404711359 1    701358 1      C-13-H3C(O)CH3
  786906.7399  0.0325 -5.8959 3 1023.7652B44  595161404711359 1    701258 1      C-13-H3C(O)CH3
  786906.7663  0.0316 -4.1076 3 1023.7650B44  595161404711259 2    701258 2      C-13-H3C(O)CH3
  786906.7663  0.0316 -4.1076 3 1023.7650B44  595161404711359 2    701358 2      C-13-H3C(O)CH3
  786921.3621  0.2107 -4.7908 3  817.7260444  595161404553223 4    543322 4      C-13-H3C(O)CH3
  786922.0815  0.0059 -3.9920 3  328.2901584  595161404361918 0    351619 0      C-13-H3C(O)CH3
  786926.7988  0.0063 -3.9918 3  328.2660584  595161404361918 1    351619 1      C-13-H3C(O)CH3
  786938.9441  0.0280 -5.0084 3 1023.7504572  595161404711259 3    701358 3      C-13-H3C(O)CH3
  786938.9441  0.0280 -5.0084 3 1023.7504572  595161404711359 3    701258 3      C-13-H3C(O)CH3
  786938.9441  0.0280 -4.5333 3 1023.7504572  595161404711359 3    701358 3      C-13-H3C(O)CH3
  786938.9441  0.0280 -4.5333 3 1023.7504572  595161404711259 3    701258 3      C-13-H3C(O)CH3
  786938.9870  0.0280 -5.4506 3 1023.7503572  595161404711359 4    701258 4      C-13-H3C(O)CH3
  786938.9870  0.0280 -4.4491 3 1023.7503572  595161404711259 4    701258 4      C-13-H3C(O)CH3
  786938.9870  0.0280 -4.4491 3 1023.7503572  595161404711359 4    701358 4      C-13-H3C(O)CH3
  786938.9870  0.0280 -5.4506 3 1023.7503572  595161404711259 4    701358 4      C-13-H3C(O)CH3
  786947.7815  0.0189 -4.4496 3  801.5394444  595161404553026 4    542925 4      C-13-H3C(O)CH3
  786948.2275  0.0188 -4.4496 3  801.5394444  595161404553026 3    542925 3      C-13-H3C(O)CH3
  786961.6099  0.0130 -4.8269 3  177.8038504  59516140431 626 2    30 427 2      C-13-H3C(O)CH3
  786961.6099  0.0130 -4.8269 3  177.8038504  59516140431 526 2    30 327 2      C-13-H3C(O)CH3
  786961.6099  0.0130 -5.8353 3  177.8038504  59516140431 626 2    30 327 2      C-13-H3C(O)CH3
  786961.6099  0.0130 -5.8353 3  177.8038504  59516140431 526 2    30 427 2      C-13-H3C(O)CH3
  786966.0117  0.0063 -3.6661 3  528.2561712  595161404442915 0    432816 0      C-13-H3C(O)CH3
  786966.1695  0.0139 -6.0279 3  177.8043504  59516140431 626 1    30 427 1      C-13-H3C(O)CH3
  786966.1695  0.0139 -6.0279 3  177.8043504  59516140431 526 1    30 327 1      C-13-H3C(O)CH3
  786966.1695  0.0139 -4.8120 3  177.8043504  59516140431 526 1    30 427 1      C-13-H3C(O)CH3
  786966.1695  0.0139 -4.8120 3  177.8043504  59516140431 626 1    30 327 1      C-13-H3C(O)CH3
  786982.3283  0.5114 -6.0613 3 1362.5066B28  595161404704625 1    694723 1      C-13-H3C(O)CH3
  787070.9424  0.0258 -5.5741 3  261.1294252  5951614043123 9 4    302010 4      C-13-H3C(O)CH3
  787085.4865  0.0292 -4.1720 3  939.4530A16  595161404632242 0    622241 0      C-13-H3C(O)CH3
  787085.4865  0.0292 -4.9701 3  939.4530A16  595161404632242 0    622141 0      C-13-H3C(O)CH3
  787085.4865  0.0292 -4.1720 3  939.4530A16  595161404632142 0    622141 0      C-13-H3C(O)CH3
  787085.4865  0.0292 -4.9701 3  939.4530A16  595161404632142 0    622241 0      C-13-H3C(O)CH3
  787125.5507  0.0165 -5.0101 3  276.5775520  595161404322310 1    312011 1      C-13-H3C(O)CH3
  787126.8754  0.0301 -5.8249 3  939.4572A16  595161404632142 1    622141 1      C-13-H3C(O)CH3
  787126.8754  0.0301 -5.8249 3  939.4572A16  595161404632242 1    622241 1      C-13-H3C(O)CH3
  787126.8754  0.0301 -4.1163 3  939.4572A16  595161404632242 1    622141 1      C-13-H3C(O)CH3
  787126.8754  0.0301 -4.1163 3  939.4572A16  595161404632142 1    622241 1      C-13-H3C(O)CH3
  787128.1633  0.0238 -5.3134 3  276.5567260  595161404322310 3    312011 3      C-13-H3C(O)CH3
  787128.3480  0.0308 -4.1793 3  939.4575A16  595161404632242 2    622241 2      C-13-H3C(O)CH3
  787128.3480  0.0308 -4.1793 3  939.4575A16  595161404632142 2    622141 2      C-13-H3C(O)CH3
  787128.3480  0.0308 -4.9268 3  939.4575A16  595161404632142 2    622241 2      C-13-H3C(O)CH3
  787128.3480  0.0308 -4.9268 3  939.4575A16  595161404632242 2    622141 2      C-13-H3C(O)CH3
  787142.4011  0.0265 -5.3093 3  276.5562260  595161404322310 4    312011 4      C-13-H3C(O)CH3
  787168.3849  0.0179 -4.0652 3  550.2794364  595161404452917 3    442816 3      C-13-H3C(O)CH3
  787169.7845  0.0322 -4.8282 3  939.4616508  595161404632142 3    622241 3      C-13-H3C(O)CH3
  787169.7845  0.0322 -4.6170 3  939.4616508  595161404632142 3    622141 3      C-13-H3C(O)CH3
  787169.7845  0.0322 -4.8282 3  939.4616508  595161404632242 3    622141 3      C-13-H3C(O)CH3
  787169.7845  0.0322 -4.6170 3  939.4616508  595161404632242 3    622241 3      C-13-H3C(O)CH3
  787169.8646  0.0323 -5.2031 3  939.4616508  595161404632242 4    622141 4      C-13-H3C(O)CH3
  787169.8646  0.0323 -5.3183 3  939.4616508  595161404632142 4    622141 4      C-13-H3C(O)CH3
  787169.8646  0.0323 -4.4660 3  939.4616508  595161404632142 4    622241 4      C-13-H3C(O)CH3
  787169.8646  0.0323 -4.4849 3  939.4616508  595161404632242 4    622241 4      C-13-H3C(O)CH3
  787217.3231  0.0152 -3.7104 3  528.2449712  595161404442915 1    432816 1      C-13-H3C(O)CH3
  787256.2194  0.0148 -3.9816 3  528.2404356  595161404442915 3    432816 3      C-13-H3C(O)CH3
  787295.1063  0.0157 -5.2478 3  261.1482504  5951614043123 9 1    302010 1      C-13-H3C(O)CH3
  787297.2613  0.0223 -5.5178 3  261.1287252  5951614043123 9 3    302010 3      C-13-H3C(O)CH3
  787345.6259  0.3295 -4.6406 3  849.9510904  595161404563323 2    553422 2      C-13-H3C(O)CH3
  787415.1834  0.2147 -4.6402 3  849.9509904  595161404563323 1    553422 1      C-13-H3C(O)CH3
  787459.9491  0.0282 -3.7678 3  528.2467712  595161404442915 2    432816 2      C-13-H3C(O)CH3
  787524.0996  0.0147 -5.1683 3  276.5775520  5951614043223 9 1    312011 1      C-13-H3C(O)CH3
  787527.8667  0.0229 -5.4652 3  276.5567260  5951614043223 9 3    312011 3      C-13-H3C(O)CH3
  787531.4320  0.0123 -4.7854 3  177.7740504  59516140431 526 0    30 427 0      C-13-H3C(O)CH3
  787531.4320  0.0123 -4.7854 3  177.7740504  59516140431 626 0    30 327 0      C-13-H3C(O)CH3
  787544.4203  0.0215 -5.4710 3  276.5562260  5951614043223 9 4    312011 4      C-13-H3C(O)CH3
  787554.1119  0.2378 -4.4864 3  817.7213888  595161404553223 2    543322 2      C-13-H3C(O)CH3
  787579.2681  0.0068 -3.9762 3  354.5348600  595161404372117 0    361818 0      C-13-H3C(O)CH3
  787585.4857  0.0076 -3.9761 3  354.5063600  595161404372117 2    361818 2      C-13-H3C(O)CH3
  787590.9721  0.0197 -5.4463 3  261.1287252  5951614043123 8 3    302010 3      C-13-H3C(O)CH3
  787617.1694  0.0070 -3.9760 3  354.5109600  595161404372117 1    361818 1      C-13-H3C(O)CH3
  787622.8237  0.0082 -4.2768 3  354.4824300  595161404372117 4    361818 4      C-13-H3C(O)CH3
  787623.8566  0.0081 -4.2768 3  354.4824300  595161404372117 3    361818 3      C-13-H3C(O)CH3
  787624.0417  0.1539 -4.4860 3  817.7217888  595161404553223 1    543322 1      C-13-H3C(O)CH3
  787733.4163  0.0322 -5.7089 3  143.7152488  59516140430 328 2    29 129 2      C-13-H3C(O)CH3
  787733.4163  0.0322 -5.7089 3  143.7152488  59516140430 228 2    29 029 2      C-13-H3C(O)CH3
  787734.2068  0.0333 -5.7028 3  143.7157488  59516140430 328 1    29 029 1      C-13-H3C(O)CH3
  787734.2068  0.0333 -5.7028 3  143.7157488  59516140430 228 1    29 129 1      C-13-H3C(O)CH3
  787764.7995  0.0120 -4.7831 3  276.5927520  595161404322310 0    312011 0      C-13-H3C(O)CH3
  787774.8046  0.0196 -5.4044 3  261.1294252  5951614043123 8 4    302010 4      C-13-H3C(O)CH3
  787780.6533  0.0125 -4.7829 3  276.5717520  595161404322310 2    312011 2      C-13-H3C(O)CH3
  787792.7519  0.0133 -5.1219 3  261.1482504  5951614043123 8 1    302010 1      C-13-H3C(O)CH3
  787840.9656  0.0182 -5.1594 3  261.1476504  5951614043123 9 2    302010 2      C-13-H3C(O)CH3
  787873.4102  0.0097 -4.3685 3 1063.8763636  59516140479 476 4    78 375 4      C-13-H3C(O)CH3
  787873.4399  0.0097 -4.4911 3 1063.8763636  59516140479 376 3    78 475 3      C-13-H3C(O)CH3
  787873.4399  0.0097 -4.9608 3 1063.8763636  59516140479 476 3    78 475 3      C-13-H3C(O)CH3
  787873.4616  0.0097 -4.4911 3 1063.8763636 -59516140479 476 3    78 375 3      C-13-H3C(O)CH3
  787873.4616  0.0097 -5.8963 3 1063.8763636 -59516140479 476 4    78 475 4      C-13-H3C(O)CH3
  787873.4616  0.0097 -4.9608 3 1063.8763636 -59516140479 376 3    78 375 3      C-13-H3C(O)CH3
  787873.4616  0.0097 -4.3773 3 1063.8763636 -59516140479 376 4    78 475 4      C-13-H3C(O)CH3
  787895.7024  0.0127 -4.8264 3 1063.8955C72  59516140479 376 1    78 475 1      C-13-H3C(O)CH3
  787895.7024  0.0127 -4.1456 3 1063.8955C72  59516140479 476 1    78 475 1      C-13-H3C(O)CH3
  787895.7407  0.0137 -4.1169 3 1063.8952C72  59516140479 476 2    78 375 2      C-13-H3C(O)CH3
  787895.7407  0.0137 -4.9986 3 1063.8952C72  59516140479 376 2    78 375 2      C-13-H3C(O)CH3
  787895.8496  0.0137 -4.9986 3 1063.8952C72 -59516140479 476 2    78 475 2      C-13-H3C(O)CH3
  787895.8496  0.0127 -4.1456 3 1063.8955C72 -59516140479 376 1    78 375 1      C-13-H3C(O)CH3
  787895.8496  0.0137 -4.1169 3 1063.8952C72 -59516140479 376 2    78 475 2      C-13-H3C(O)CH3
  787895.8496  0.0127 -4.8264 3 1063.8955C72 -59516140479 476 1    78 375 1      C-13-H3C(O)CH3
  787917.9884  0.0095 -4.2567 3 1063.9144C72  59516140479 476 0    78 375 0      C-13-H3C(O)CH3
  787917.9884  0.0095 -4.2567 3 1063.9144C72  59516140479 376 0    78 475 0      C-13-H3C(O)CH3
  787917.9884  0.0095 -4.5079 3 1063.9144C72  59516140479 376 0    78 375 0      C-13-H3C(O)CH3
  787917.9884  0.0095 -4.5079 3 1063.9144C72  59516140479 476 0    78 475 0      C-13-H3C(O)CH3
  787994.5290  0.0298 -4.1185 3  953.9535A32  595161404642044 0    632043 0      C-13-H3C(O)CH3
  787994.5290  0.0298 -5.9417 3  953.9535A32  595161404642044 0    632143 0      C-13-H3C(O)CH3
  787994.5290  0.0298 -4.1185 3  953.9535A32  595161404642144 0    632143 0      C-13-H3C(O)CH3
  787994.5290  0.0298 -5.9417 3  953.9535A32  595161404642144 0    632043 0      C-13-H3C(O)CH3
  788002.9031  0.0214 -4.1095 3 1033.3049B60  595161404721261 0    711160 0      C-13-H3C(O)CH3
  788002.9031  0.0214 -4.1095 3 1033.3049B60  595161404721161 0    711260 0      C-13-H3C(O)CH3
  788031.7651  0.0341 -4.1579 3 1033.2866B60  595161404721161 2    711260 2      C-13-H3C(O)CH3
  788031.7651  0.0341 -5.0798 3 1033.2866B60  595161404721161 2    711160 2      C-13-H3C(O)CH3
  788031.7651  0.0341 -4.1579 3 1033.2866B60  595161404721261 2    711160 2      C-13-H3C(O)CH3
  788031.7651  0.0341 -5.0798 3 1033.2866B60  595161404721261 2    711260 2      C-13-H3C(O)CH3
  788031.7773  0.0353 -4.2284 3 1033.2868B60  595161404721161 1    711160 1      C-13-H3C(O)CH3
  788031.7773  0.0353 -4.7274 3 1033.2868B60  595161404721161 1    711260 1      C-13-H3C(O)CH3
  788031.7773  0.0353 -4.2284 3 1033.2868B60  595161404721261 1    711260 1      C-13-H3C(O)CH3
  788031.7773  0.0353 -4.7274 3 1033.2868B60  595161404721261 1    711160 1      C-13-H3C(O)CH3
  788035.4731  0.0307 -4.1656 3  953.9568A32  595161404642144 1    632043 1      C-13-H3C(O)CH3
  788035.4731  0.0307 -5.0477 3  953.9568A32  595161404642144 1    632143 1      C-13-H3C(O)CH3
  788035.4731  0.0307 -4.1656 3  953.9568A32  595161404642044 1    632143 1      C-13-H3C(O)CH3
  788035.4731  0.0307 -5.0477 3  953.9568A32  595161404642044 1    632043 1      C-13-H3C(O)CH3
  788036.7037  0.0312 -4.1571 3  953.9570A32  595161404642144 2    632143 2      C-13-H3C(O)CH3
  788036.7037  0.0312 -5.1179 3  953.9570A32  595161404642144 2    632043 2      C-13-H3C(O)CH3
  788036.7037  0.0312 -4.1571 3  953.9570A32  595161404642044 2    632043 2      C-13-H3C(O)CH3
  788036.7037  0.0312 -5.1179 3  953.9570A32  595161404642044 2    632143 2      C-13-H3C(O)CH3
  788041.4278  0.0113 -4.8816 3  261.1666504  5951614043123 9 0    302010 0      C-13-H3C(O)CH3
  788045.9327  0.0165 -5.2061 3  261.1476504  5951614043123 8 2    302010 2      C-13-H3C(O)CH3
  788060.6652  0.0271 -4.7316 3 1033.2686580  595161404721161 3    711260 3      C-13-H3C(O)CH3
  788060.6652  0.0271 -4.7316 3 1033.2686580  595161404721261 3    711160 3      C-13-H3C(O)CH3
  788060.6652  0.0271 -4.6910 3 1033.2686580  595161404721261 3    711260 3      C-13-H3C(O)CH3
  788060.6652  0.0271 -4.6910 3 1033.2686580  595161404721161 3    711160 3      C-13-H3C(O)CH3
  788060.6988  0.0271 -4.4139 3 1033.2685580  595161404721261 4    711160 4      C-13-H3C(O)CH3
  788060.6988  0.0271 -4.4139 3 1033.2685580  595161404721161 4    711260 4      C-13-H3C(O)CH3
  788068.6459  0.0471 -4.1909 3  528.2309356  595161404442915 4    432816 4      C-13-H3C(O)CH3
  788077.6937  0.0328 -4.6009 3  953.9604516  595161404642044 3    632143 3      C-13-H3C(O)CH3
  788077.6937  0.0328 -4.8675 3  953.9604516  595161404642144 3    632143 3      C-13-H3C(O)CH3
  788077.6937  0.0328 -4.6009 3  953.9604516  595161404642144 3    632043 3      C-13-H3C(O)CH3
  788077.6937  0.0328 -4.8675 3  953.9604516  595161404642044 3    632043 3      C-13-H3C(O)CH3
  788077.7714  0.0329 -5.3744 3  953.9604516  595161404642044 4    632143 4      C-13-H3C(O)CH3
  788077.7714  0.0329 -5.3744 3  953.9604516  595161404642144 4    632043 4      C-13-H3C(O)CH3
  788077.7714  0.0329 -4.4633 3  953.9604516  595161404642044 4    632043 4      C-13-H3C(O)CH3
  788077.7714  0.0329 -4.4633 3  953.9604516  595161404642144 4    632143 4      C-13-H3C(O)CH3
  788217.6569  0.6077 -5.5653 3 1050.7955500  595161404623824 3    613923 3      C-13-H3C(O)CH3
  788272.2417  0.1716 -4.4828 3  817.7166888  595161404553223 0    543322 0      C-13-H3C(O)CH3
  788296.7601  0.2371 -4.6364 3  849.9411904  595161404563323 0    553422 0      C-13-H3C(O)CH3
  788441.9825  0.5037 -5.5882 3 1050.7891500  595161404623824 4    613923 4      C-13-H3C(O)CH3
  788467.6020  0.0057 -3.2178 3  504.3972648 -5951614044038 2 0    3937 2 0      C-13-H3C(O)CH3
  788467.6020  0.0057 -3.2178 3  504.3972648 -5951614044038 3 0    3937 3 0      C-13-H3C(O)CH3
  788571.3295  0.0057 -3.2176 3  504.3456648 -5951614044038 3 2    3937 3 2      C-13-H3C(O)CH3
  788579.5391  0.0311 -5.9812 3  143.6462488  59516140430 328 0    29 029 0      C-13-H3C(O)CH3
  788579.5391  0.0311 -6.0206 3  143.6462488  59516140430 228 0    29 029 0      C-13-H3C(O)CH3
  788579.5391  0.0311 -5.9812 3  143.6462488  59516140430 228 0    29 129 0      C-13-H3C(O)CH3
  788579.5391  0.0311 -6.0206 3  143.6462488  59516140430 328 0    29 129 0      C-13-H3C(O)CH3
  788653.6936  0.0062 -3.2176 3  504.3902648 -5951614044038 2 2    3937 2 2      C-13-H3C(O)CH3
  788662.2018  0.0060 -3.2175 3  504.3497648 -5951614044038 3 1    3937 3 1      C-13-H3C(O)CH3
  788692.6926  0.0059 -3.2176 3  504.4146648 -5951614044038 2 1    3937 2 1      C-13-H3C(O)CH3
  788765.5669  0.0088 -3.5184 3  504.2981324  5951614044038 3 4    3937 3 4      C-13-H3C(O)CH3
  788795.8018  0.0081 -3.5184 3  504.3629324  5951614044038 2 3    3937 2 3      C-13-H3C(O)CH3
  788847.5770  0.0084 -3.5183 3  504.3427324  5951614044038 3 3    3937 3 3      C-13-H3C(O)CH3
  788878.4387  0.0086 -3.5184 3  504.4075324  5951614044038 2 4    3937 2 4      C-13-H3C(O)CH3
  788950.0283  0.0299 -4.2038 3  967.8905A48  595161404651946 0    641945 0      C-13-H3C(O)CH3
  788950.0283  0.0299 -4.2038 3  967.8905A48  595161404652046 0    642045 0      C-13-H3C(O)CH3
  788950.0283  0.0299 -4.8559 3  967.8905A48  595161404652046 0    641945 0      C-13-H3C(O)CH3
  788950.0283  0.0299 -4.8559 3  967.8905A48  595161404651946 0    642045 0      C-13-H3C(O)CH3
  788990.5899  0.0309 -4.3398 3  967.8928A48  595161404651946 1    641945 1      C-13-H3C(O)CH3
  788990.5899  0.0309 -4.5121 3  967.8928A48  595161404652046 1    641945 1      C-13-H3C(O)CH3
  788990.5899  0.0309 -4.3398 3  967.8928A48  595161404652046 1    642045 1      C-13-H3C(O)CH3
  788990.5899  0.0309 -4.5121 3  967.8928A48  595161404651946 1    642045 1      C-13-H3C(O)CH3
  788991.6065  0.0314 -5.2071 3  967.8930A48  595161404652046 2    642045 2      C-13-H3C(O)CH3
  788991.6065  0.0314 -4.1532 3  967.8930A48  595161404652046 2    641945 2      C-13-H3C(O)CH3
  788991.6065  0.0314 -5.2071 3  967.8930A48  595161404651946 2    641945 2      C-13-H3C(O)CH3
  788991.6065  0.0314 -4.1532 3  967.8930A48  595161404651946 2    642045 2      C-13-H3C(O)CH3
  788996.7279  0.0166 -5.8676 3  205.9765456  5951614042820 9 1    271512 1      C-13-H3C(O)CH3
  789032.2124  0.0332 -5.4443 3  967.8953524  595161404651946 3    642045 3      C-13-H3C(O)CH3
  789032.2124  0.0332 -4.4604 3  967.8953524  595161404652046 3    642045 3      C-13-H3C(O)CH3
  789032.2124  0.0332 -5.4443 3  967.8953524  595161404652046 3    641945 3      C-13-H3C(O)CH3
  789032.2124  0.0332 -4.4604 3  967.8953524  595161404651946 3    641945 3      C-13-H3C(O)CH3
  789032.2879  0.0332 -4.5217 3  967.8953524  595161404652046 4    641945 4      C-13-H3C(O)CH3
  789032.2879  0.0332 -5.0883 3  967.8953524  595161404652046 4    642045 4      C-13-H3C(O)CH3
  789032.2879  0.0332 -5.0883 3  967.8953524  595161404651946 4    641945 4      C-13-H3C(O)CH3
  789032.2879  0.0332 -4.5217 3  967.8953524  595161404651946 4    642045 4      C-13-H3C(O)CH3
  789080.8247  0.0195 -6.0847 3  205.9632228  5951614042820 9 3    271512 3      C-13-H3C(O)CH3
  789089.8715  0.0077 -4.4310 3 1068.5634644  59516140480 378 4    79 377 4      C-13-H3C(O)CH3
  789089.8715  0.0077 -5.1819 3 1068.5634644  59516140480 278 4    79 377 4      C-13-H3C(O)CH3
  789089.8753  0.0077 -4.4197 3 1068.5633644  59516140480 378 3    79 277 3      C-13-H3C(O)CH3
  789089.8753  0.0077 -5.2516 3 1068.5633644  59516140480 278 3    79 277 3      C-13-H3C(O)CH3
  789090.1578  0.0077 -4.4197 3 1068.5633644 -59516140480 278 3    79 377 3      C-13-H3C(O)CH3
  789090.1578  0.0077 -5.1819 3 1068.5634644 -59516140480 378 4    79 277 4      C-13-H3C(O)CH3
  789090.1578  0.0077 -5.2516 3 1068.5633644 -59516140480 378 3    79 377 3      C-13-H3C(O)CH3
  789090.1578  0.0077 -4.4310 3 1068.5634644 -59516140480 278 4    79 277 4      C-13-H3C(O)CH3
  789113.9536  0.0126 -4.0595 3 1068.5665C88  59516140480 378 2    79 277 2      C-13-H3C(O)CH3
  789114.0579  0.0109 -4.4312 3 1068.5669C88  59516140480 278 1    79 277 1      C-13-H3C(O)CH3
  789114.0579  0.0109 -4.4312 3 1068.5669C88  59516140480 378 1    79 377 1      C-13-H3C(O)CH3
  789114.0585  0.0109 -4.2988 3 1068.5669C88 -59516140480 378 1    79 277 1      C-13-H3C(O)CH3
  789114.0585  0.0109 -4.2988 3 1068.5669C88 -59516140480 278 1    79 377 1      C-13-H3C(O)CH3
  789114.0585  0.0126 -4.0595 3 1068.5665C88 -59516140480 278 2    79 377 2      C-13-H3C(O)CH3
  789138.1019  0.0082 -4.3867 3 1068.5701C88  59516140480 378 0    79 377 0      C-13-H3C(O)CH3
  789138.1019  0.0082 -4.3349 3 1068.5701C88  59516140480 278 0    79 377 0      C-13-H3C(O)CH3
  789138.2331  0.0082 -4.3349 3 1068.5701C88 -59516140480 378 0    79 277 0      C-13-H3C(O)CH3
  789138.2331  0.0082 -4.3867 3 1068.5701C88 -59516140480 278 0    79 277 0      C-13-H3C(O)CH3
  789144.4156  0.0219 -4.1190 3 1042.2919B76  595161404731163 0    721162 0      C-13-H3C(O)CH3
  789144.4156  0.0219 -5.8142 3 1042.2919B76  595161404731063 0    721162 0      C-13-H3C(O)CH3
  789144.4156  0.0219 -4.1190 3 1042.2919B76  595161404731063 0    721062 0      C-13-H3C(O)CH3
  789144.4156  0.0219 -5.8142 3 1042.2919B76  595161404731163 0    721062 0      C-13-H3C(O)CH3
  789169.1682  0.0370 -4.1103 3 1042.2702B76  595161404731163 2    721062 2      C-13-H3C(O)CH3
  789169.1682  0.0370 -4.1103 3 1042.2702B76  595161404731063 2    721162 2      C-13-H3C(O)CH3
  789169.1828  0.0382 -5.9331 3 1042.2703B76  595161404731063 1    721162 1      C-13-H3C(O)CH3
  789169.1828  0.0382 -5.9331 3 1042.2703B76  595161404731163 1    721062 1      C-13-H3C(O)CH3
  789169.1828  0.0382 -4.1168 3 1042.2703B76  595161404731063 1    721062 1      C-13-H3C(O)CH3
  789169.1828  0.0382 -4.1168 3 1042.2703B76  595161404731163 1    721162 1      C-13-H3C(O)CH3
  789193.9577  0.0262 -4.7987 3 1042.2486588  595161404731063 3    721062 3      C-13-H3C(O)CH3
  789193.9577  0.0262 -4.6402 3 1042.2486588  595161404731063 3    721162 3      C-13-H3C(O)CH3
  789193.9577  0.0262 -4.7987 3 1042.2486588  595161404731163 3    721162 3      C-13-H3C(O)CH3
  789193.9577  0.0262 -4.6402 3 1042.2486588  595161404731163 3    721062 3      C-13-H3C(O)CH3
  789193.9803  0.0263 -4.4120 3 1042.2485588  595161404731163 4    721062 4      C-13-H3C(O)CH3
  789193.9803  0.0263 -4.4120 3 1042.2485588  595161404731063 4    721162 4      C-13-H3C(O)CH3
  789273.1226  0.4228 -5.2695 3 1050.7622A00  595161404623824 1    613923 1      C-13-H3C(O)CH3
  789377.8578  0.5949 -5.2693 3 1050.7615A00  595161404623824 2    613923 2      C-13-H3C(O)CH3
  789586.6209  0.0064 -4.4266 3  270.1623276  595161404341321 4    331222 4      C-13-H3C(O)CH3
  789586.6261  0.0064 -4.4266 3  270.1623276  595161404341421 4    331122 4      C-13-H3C(O)CH3
  789587.0135  0.0058 -4.4266 3  270.1623276  595161404341321 3    331222 3      C-13-H3C(O)CH3
  789587.0187  0.0058 -4.4266 3  270.1623276  595161404341421 3    331122 3      C-13-H3C(O)CH3
  789714.2381  0.0057 -4.1256 3  270.1801552  595161404341321 2    331222 2      C-13-H3C(O)CH3
  789714.2432  0.0057 -4.1256 3  270.1801552  595161404341421 2    331122 2      C-13-H3C(O)CH3
  789729.2842  0.0057 -4.1256 3  270.1817552  595161404341321 1    331222 1      C-13-H3C(O)CH3
  789729.2890  0.0057 -4.1256 3  270.1817552  595161404341421 1    331122 1      C-13-H3C(O)CH3
  789757.5340  0.0167 -5.8252 3  205.9656456  5951614042820 9 2    271512 2      C-13-H3C(O)CH3
  789856.3054  0.0054 -4.1255 3  270.1995552  595161404341321 0    331222 0      C-13-H3C(O)CH3
  789856.3101  0.0054 -4.1255 3  270.1995552  595161404341421 0    331122 0      C-13-H3C(O)CH3
  789938.4521  0.0649 -5.3093 3  532.9608356  595161404443015 4    432914 4      C-13-H3C(O)CH3
  789942.3129  0.0297 -4.1695 3  981.2696A64  595161404661848 0    651847 0      C-13-H3C(O)CH3
  789942.3129  0.0297 -5.0516 3  981.2696A64  595161404661848 0    651947 0      C-13-H3C(O)CH3
  789942.3129  0.0297 -5.0975 3  981.2696A64  595161404661948 0    651847 0      C-13-H3C(O)CH3
  789942.3129  0.0297 -4.1752 3  981.2696A64  595161404661948 0    651947 0      C-13-H3C(O)CH3
  789982.4831  0.0309 -4.1273 3  981.2706A64  595161404661848 1    651847 1      C-13-H3C(O)CH3
  789982.4831  0.0309 -5.9650 3  981.2706A64  595161404661848 1    651947 1      C-13-H3C(O)CH3
  789982.4831  0.0309 -4.1273 3  981.2706A64  595161404661948 1    651947 1      C-13-H3C(O)CH3
  789982.4831  0.0309 -5.9650 3  981.2706A64  595161404661948 1    651847 1      C-13-H3C(O)CH3
  789983.3039  0.0312 -4.3042 3  981.2707A64  595161404661848 2    651947 2      C-13-H3C(O)CH3
  789983.3039  0.0312 -4.5843 3  981.2707A64  595161404661948 2    651947 2      C-13-H3C(O)CH3
  789983.3039  0.0312 -4.3042 3  981.2707A64  595161404661948 2    651847 2      C-13-H3C(O)CH3
  789983.3039  0.0312 -4.5843 3  981.2707A64  595161404661848 2    651847 2      C-13-H3C(O)CH3
  790023.5170  0.0333 -4.4864 3  981.2717532  595161404661948 3    651947 3      C-13-H3C(O)CH3
  790023.5170  0.0333 -5.2826 3  981.2717532  595161404661848 3    651947 3      C-13-H3C(O)CH3
  790023.5170  0.0333 -4.4864 3  981.2717532  595161404661848 3    651847 3      C-13-H3C(O)CH3
  790023.5170  0.0333 -5.2826 3  981.2717532  595161404661948 3    651847 3      C-13-H3C(O)CH3
  790023.5899  0.0333 -5.5779 3  981.2717532  595161404661948 4    651847 4      C-13-H3C(O)CH3
  790023.5899  0.0333 -4.4535 3  981.2717532  595161404661948 4    651947 4      C-13-H3C(O)CH3
  790023.5899  0.0333 -4.4535 3  981.2717532  595161404661848 4    651847 4      C-13-H3C(O)CH3
  790023.5899  0.0333 -5.5779 3  981.2717532  595161404661848 4    651947 4      C-13-H3C(O)CH3
  790034.4998  0.0156 -6.1099 3  205.9765456  5951614042820 8 1    271512 1      C-13-H3C(O)CH3
  790114.3882  0.5323 -6.1543 3 1329.5369B28  595161404704130 0    694227 0      C-13-H3C(O)CH3
  790127.3338  0.0134 -5.6772 3  205.9788456  5951614042820 9 0    271512 0      C-13-H3C(O)CH3
  790274.1507  0.0049 -3.2790 3  508.7384664 -5951614044136 6 0    4035 5 0      C-13-H3C(O)CH3
  790274.1507  0.0049 -3.2790 3  508.7384664 -5951614044136 5 0    4035 6 0      C-13-H3C(O)CH3
  790282.4134  0.0105 -3.7811 3  523.9443712 -595161404442816 0    432717 0      C-13-H3C(O)CH3
  790298.0750  0.0227 -4.1308 3 1050.7421B92 -595161404741065 0    731064 0      C-13-H3C(O)CH3
  790298.0750  0.0227 -5.4646 3 1050.7421B92 -595161404741065 0    73 964 0      C-13-H3C(O)CH3
  790298.0750  0.0227 -4.1308 3 1050.7421B92 -59516140474 965 0    73 964 0      C-13-H3C(O)CH3
  790298.0750  0.0227 -5.4646 3 1050.7421B92 -59516140474 965 0    731064 0      C-13-H3C(O)CH3
  790303.1164  0.0180 -4.0799 3  523.9177356  595161404442816 3    432717 3      C-13-H3C(O)CH3
  790318.3097  0.0408 -4.1931 3 1050.7170B92  595161404741065 1    731064 1      C-13-H3C(O)CH3
  790318.3097  0.0408 -4.8755 3 1050.7170B92  595161404741065 1    73 964 1      C-13-H3C(O)CH3
  790318.3097  0.0408 -4.1931 3 1050.7170B92  59516140474 965 1    73 964 1      C-13-H3C(O)CH3
  790318.3097  0.0408 -4.8755 3 1050.7170B92  59516140474 965 1    731064 1      C-13-H3C(O)CH3
  790318.3258  0.0395 -4.5948 3 1050.7169B92  59516140474 965 2    73 964 2      C-13-H3C(O)CH3
  790318.3258  0.0395 -4.2839 3 1050.7169B92  59516140474 965 2    731064 2      C-13-H3C(O)CH3
  790318.3258  0.0395 -4.2839 3 1050.7169B92  595161404741065 2    73 964 2      C-13-H3C(O)CH3
  790318.3258  0.0395 -4.5948 3 1050.7169B92  595161404741065 2    731064 2      C-13-H3C(O)CH3
  790321.6375  0.0086 -4.5692 3 1072.7276652  59516140481 180 3    80 279 3      C-13-H3C(O)CH3
  790321.6375  0.0086 -4.7646 3 1072.7276652  59516140481 280 3    80 279 3      C-13-H3C(O)CH3
  790321.6375  0.0086 -4.7646 3 1072.7276652  59516140481 180 3    80 179 3      C-13-H3C(O)CH3
  790321.6375  0.0086 -4.5692 3 1072.7276652  59516140481 280 3    80 179 3      C-13-H3C(O)CH3
  790321.6572  0.0086 -4.7637 3 1072.7276652  59516140481 280 4    80 179 4      C-13-H3C(O)CH3
  790321.6572  0.0086 -4.7637 3 1072.7276652  59516140481 180 4    80 279 4      C-13-H3C(O)CH3
  790321.6572  0.0086 -4.5698 3 1072.7276652  59516140481 280 4    80 279 4      C-13-H3C(O)CH3
  790321.6572  0.0086 -4.5698 3 1072.7276652  59516140481 180 4    80 179 4      C-13-H3C(O)CH3
  790327.5276  0.4562 -5.2625 3 1050.7316A00  595161404623824 0    613923 0      C-13-H3C(O)CH3
  790331.4689  0.0147 -3.7834 3  523.9300712  595161404442816 2    432717 2      C-13-H3C(O)CH3
  790338.0835  0.0253 -5.1986 3 1050.6918596  59516140474 965 3    731064 3      C-13-H3C(O)CH3
  790338.0835  0.0253 -4.4896 3 1050.6918596  595161404741065 3    731064 3      C-13-H3C(O)CH3
  790338.0835  0.0253 -4.4896 3 1050.6918596  59516140474 965 3    73 964 3      C-13-H3C(O)CH3
  790338.0835  0.0253 -5.1986 3 1050.6918596  595161404741065 3    73 964 3      C-13-H3C(O)CH3
  790338.0934  0.0253 -4.4199 3 1050.6917596  59516140474 965 4    731064 4      C-13-H3C(O)CH3
  790338.0934  0.0253 -4.4199 3 1050.6917596  595161404741065 4    73 964 4      C-13-H3C(O)CH3
  790340.7154  0.0143 -4.3815 3 1072.7050D04  59516140481 180 2    80 279 2      C-13-H3C(O)CH3
  790340.7154  0.0143 -4.3815 3 1072.7050D04  59516140481 280 2    80 179 2      C-13-H3C(O)CH3
  790340.7260  0.0143 -4.3299 3 1072.7050D04 -59516140481 280 2    80 279 2      C-13-H3C(O)CH3
  790340.7260  0.0119 -4.0623 3 1072.7055D04 -59516140481 180 1    80 179 1      C-13-H3C(O)CH3
  790340.7260  0.0143 -4.3299 3 1072.7050D04 -59516140481 180 2    80 179 2      C-13-H3C(O)CH3
  790340.7260  0.0119 -5.7705 3 1072.7055D04 -59516140481 280 1    80 179 1      C-13-H3C(O)CH3
  790340.8622  0.0119 -4.0623 3 1072.7055D04  59516140481 280 1    80 279 1      C-13-H3C(O)CH3
  790340.8622  0.0119 -5.7705 3 1072.7055D04  59516140481 180 1    80 279 1      C-13-H3C(O)CH3
  790342.6466  0.0108 -3.7819 3  523.9310712  595161404442816 1    432717 1      C-13-H3C(O)CH3
  790344.0307  0.0120 -5.6874 3  195.9058456  595161404281612 2    271315 2      C-13-H3C(O)CH3
  790352.2315  0.0052 -3.2790 3  508.7084664 -5951614044136 6 2    4035 6 2      C-13-H3C(O)CH3
  790359.8288  0.0086 -4.0669 3 1072.6830D04 -59516140481 180 0    80 279 0      C-13-H3C(O)CH3
  790359.8288  0.0086 -4.0669 3 1072.6830D04 -59516140481 280 0    80 179 0      C-13-H3C(O)CH3
  790359.8891  0.0086 -5.5811 3 1072.6830D04  59516140481 280 0    80 279 0      C-13-H3C(O)CH3
  790359.8891  0.0086 -5.5811 3 1072.6830D04  59516140481 180 0    80 179 0      C-13-H3C(O)CH3
  790396.7055  0.0054 -3.2789 3  508.7333664 -5951614044136 5 2    4035 5 2      C-13-H3C(O)CH3
  790409.6104  0.0052 -3.2788 3  508.6961664 -5951614044136 6 1    4035 6 1      C-13-H3C(O)CH3
  790422.2654  0.0155 -6.0133 3  192.4602440  5951614042720 8 0    261511 0      C-13-H3C(O)CH3
  790443.5346  0.6707 -6.1503 3 1329.5381B28  595161404704130 2    694227 2      C-13-H3C(O)CH3
  790462.1181  0.0054 -3.2788 3  508.7415664 -5951614044136 5 1    4035 5 1      C-13-H3C(O)CH3
  790467.8055  0.0150 -5.9892 3  195.8988228  595161404281612 3    271315 3      C-13-H3C(O)CH3
  790481.7765  0.0165 -5.9893 3  195.8989228  595161404281612 4    271315 4      C-13-H3C(O)CH3
  790484.4659  0.0152 -4.0906 3  523.9157356  595161404442816 4    432717 4      C-13-H3C(O)CH3
  790488.1341  0.0075 -3.5798 3  508.6661332  5951614044136 6 4    4035 6 4      C-13-H3C(O)CH3
  790530.2280  0.0108 -5.6871 3  195.9160456  595161404281612 0    271315 0      C-13-H3C(O)CH3
  790531.8762  0.0076 -3.5798 3  508.6910332  5951614044136 6 3    4035 6 3      C-13-H3C(O)CH3
  790539.9542  0.0074 -3.5798 3  508.7116332  5951614044136 5 3    4035 5 3      C-13-H3C(O)CH3
  790583.9454  0.0076 -3.5797 3  508.7363332  5951614044136 5 4    4035 5 4      C-13-H3C(O)CH3
  790632.3758  0.4984 -6.1472 3 1329.5282B28  595161404704130 1    694227 1      C-13-H3C(O)CH3
  790657.2275  0.0123 -5.6881 3  195.9090456  595161404281612 1    271315 1      C-13-H3C(O)CH3
  790676.0333  0.0526 -4.6004 3  532.9547712  595161404443015 2    432914 2      C-13-H3C(O)CH3
  790882.7268  0.0200 -5.3988 3  261.0023252  5951614043123 9 4    302011 4      C-13-H3C(O)CH3
  790964.4235  0.0290 -4.1299 3  994.0952A80  595161404671750 0    661849 0      C-13-H3C(O)CH3
  790964.4235  0.0290 -4.1299 3  994.0952A80  595161404671850 0    661749 0      C-13-H3C(O)CH3
  790964.4235  0.0290 -6.1222 3  994.0952A80  595161404671750 0    661749 0      C-13-H3C(O)CH3
  790964.4235  0.0290 -6.1222 3  994.0952A80  595161404671850 0    661849 0      C-13-H3C(O)CH3
  791004.1168  0.0306 -4.1290 3  994.0946A80  595161404671850 1    661849 1      C-13-H3C(O)CH3
  791004.1168  0.0306 -4.1290 3  994.0946A80  595161404671750 1    661749 1      C-13-H3C(O)CH3
  791004.7555  0.0309 -4.3921 3  994.0946A80  595161404671850 2    661749 2      C-13-H3C(O)CH3
  791004.7555  0.0309 -4.3921 3  994.0946A80  595161404671750 2    661849 2      C-13-H3C(O)CH3
  791004.7555  0.0309 -4.4639 3  994.0946A80  595161404671750 2    661749 2      C-13-H3C(O)CH3
  791004.7555  0.0309 -4.4639 3  994.0946A80  595161404671850 2    661849 2      C-13-H3C(O)CH3
  791033.3118  0.0338 -4.2961 3  532.9390712  595161404443015 1    432914 1      C-13-H3C(O)CH3
  791044.4901  0.0331 -4.4321 3  994.0940540  595161404671850 3    661749 3      C-13-H3C(O)CH3
  791044.4901  0.0331 -6.0086 3  994.0940540  595161404671850 3    661849 3      C-13-H3C(O)CH3
  791044.4901  0.0331 -4.4380 3  994.0940540  595161404671750 3    661849 3      C-13-H3C(O)CH3
  791044.5602  0.0332 -4.9435 3  994.0939540  595161404671750 4    661849 4      C-13-H3C(O)CH3
  791044.5602  0.0332 -4.5840 3  994.0939540  595161404671750 4    661749 4      C-13-H3C(O)CH3
  791044.5602  0.0332 -5.2655 3  994.0939540  595161404671850 4    661849 4      C-13-H3C(O)CH3
  791044.5602  0.0332 -4.4945 3  994.0939540  595161404671850 4    661749 4      C-13-H3C(O)CH3
  791055.5060  0.0187 -5.4460 3  261.0033252  5951614043123 9 3    302011 3      C-13-H3C(O)CH3
  791073.6898  0.0189 -5.7292 3  222.6329228  5951614042824 4 4    2721 6 4      C-13-H3C(O)CH3
  791073.9119  0.0132 -5.1190 3  261.0222504  5951614043123 9 1    302011 1      C-13-H3C(O)CH3
  791171.2672  0.5783 -6.0016 3 1233.5294540  595161404674226 4    664323 4      C-13-H3C(O)CH3
  791198.7592  0.0157 -5.7254 3  222.6035228  5951614042824 5 3    2721 6 3      C-13-H3C(O)CH3
  791201.1393  0.3041 -5.9030 3 1188.3923532  595161404664027 4    654124 4      C-13-H3C(O)CH3
  791256.7598  0.3519 -5.9623 3 1233.5275540  595161404674226 3    664323 3      C-13-H3C(O)CH3
  791272.3363  0.2065 -5.8990 3 1188.3903532  595161404664027 3    654124 3      C-13-H3C(O)CH3
  791337.8067  0.0099 -4.0046 3  380.7259616  595161404382316 0    372017 0      C-13-H3C(O)CH3
  791349.2169  0.0214 -5.5153 3  261.0033252  5951614043123 8 3    302011 3      C-13-H3C(O)CH3
  791397.0607  0.0093 -4.0042 3  380.7033616  595161404382316 1    372017 1      C-13-H3C(O)CH3
  791463.6289  0.1915 -5.6008 3 1188.3676A64  595161404664027 1    654124 1      C-13-H3C(O)CH3
  791464.2683  0.0233 -4.7233 3 1058.6564C08 -59516140475 867 0    74 966 0      C-13-H3C(O)CH3
  791464.2683  0.0233 -4.2331 3 1058.6564C08 -59516140475 867 0    74 866 0      C-13-H3C(O)CH3
  791464.2683  0.0233 -4.7233 3 1058.6564C08 -59516140475 967 0    74 866 0      C-13-H3C(O)CH3
  791464.2683  0.0233 -4.2331 3 1058.6564C08 -59516140475 967 0    74 966 0      C-13-H3C(O)CH3
  791472.0759  0.0057 -3.5945 3  532.9389712  595161404443015 0    432914 0      C-13-H3C(O)CH3
  791472.5914  0.4696 -6.0723 3 1404.5296B44  595161404714724 2    704822 2      C-13-H3C(O)CH3
  791477.9028  0.0090 -4.0050 3  380.6958616  595161404382316 2    372017 2      C-13-H3C(O)CH3
  791478.7065  0.0421 -4.2437 3 1058.6280C08  59516140475 967 1    74 866 1      C-13-H3C(O)CH3
  791478.7065  0.0421 -4.2437 3 1058.6280C08  59516140475 867 1    74 966 1      C-13-H3C(O)CH3
  791478.7065  0.0421 -4.6918 3 1058.6280C08  59516140475 867 1    74 866 1      C-13-H3C(O)CH3
  791478.7065  0.0421 -4.6918 3 1058.6280C08  59516140475 967 1    74 966 1      C-13-H3C(O)CH3
  791478.7779  0.0409 -4.8341 3 1058.6279C08  59516140475 967 2    74 866 2      C-13-H3C(O)CH3
  791478.7779  0.0409 -4.8341 3 1058.6279C08  59516140475 867 2    74 966 2      C-13-H3C(O)CH3
  791478.7779  0.0409 -4.2025 3 1058.6279C08  59516140475 967 2    74 966 2      C-13-H3C(O)CH3
  791478.7779  0.0409 -4.2025 3 1058.6279C08  59516140475 867 2    74 866 2      C-13-H3C(O)CH3
  791492.5387  0.0241 -4.4156 3 1058.5995604  59516140475 867 4    74 866 4      C-13-H3C(O)CH3
  791492.5387  0.0241 -4.4156 3 1058.5995604  59516140475 967 4    74 966 4      C-13-H3C(O)CH3
  791492.5429  0.0241 -4.6365 3 1058.5995604  59516140475 867 3    74 966 3      C-13-H3C(O)CH3
  791492.5429  0.0241 -4.8067 3 1058.5995604  59516140475 867 3    74 866 3      C-13-H3C(O)CH3
  791492.5429  0.0241 -4.8067 3 1058.5995604  59516140475 967 3    74 966 3      C-13-H3C(O)CH3
  791492.5429  0.0241 -4.6365 3 1058.5995604  59516140475 967 3    74 866 3      C-13-H3C(O)CH3
  791502.0196  0.0171 -5.2020 3  261.0255504  5951614043123 9 2    302011 2      C-13-H3C(O)CH3
  791530.9768  0.0077 -4.3056 3  380.6731308  595161404382316 4    372017 4      C-13-H3C(O)CH3
  791537.6527  0.4914 -6.0731 3 1404.5384B44  595161404714724 1    704822 1      C-13-H3C(O)CH3
  791539.2950  0.0085 -4.3056 3  380.6731308  595161404382316 3    372017 3      C-13-H3C(O)CH3
  791549.5605  0.2473 -5.6007 3 1188.3650A64  595161404664027 2    654124 2      C-13-H3C(O)CH3
  791551.2716  0.3490 -5.6759 3 1233.4926A80  595161404674226 1    664323 1      C-13-H3C(O)CH3
  791564.4553  0.0150 -5.4281 3  222.6437456  5951614042824 4 1    2721 6 1      C-13-H3C(O)CH3
  791570.8844  0.0495 -4.2242 3  532.9357356  595161404443015 3    432914 3      C-13-H3C(O)CH3
  791571.5575  0.0141 -5.2478 3  261.0222504  5951614043123 8 1    302011 1      C-13-H3C(O)CH3
  791571.9858  0.0144 -4.3496 3 1076.3728660 -59516140482 182 4    81 181 4      C-13-H3C(O)CH3
  791571.9858  0.0144 -4.3711 3 1076.3728660 -59516140482 082 3    81 181 3      C-13-H3C(O)CH3
  791571.9858  0.0144 -4.3711 3 1076.3728660 -59516140482 182 3    81 081 3      C-13-H3C(O)CH3
  791571.9858  0.0144 -4.3496 3 1076.3728660 -59516140482 082 4    81 081 4      C-13-H3C(O)CH3
  791572.0978  0.0144 -5.6568 3 1076.3728660  59516140482 082 3    81 081 3      C-13-H3C(O)CH3
  791572.0978  0.0144 -5.6568 3 1076.3728660  59516140482 182 3    81 181 3      C-13-H3C(O)CH3
  791574.7409  0.0252 -4.0988 3 1076.3103D20 -59516140482 082 2    81 081 2      C-13-H3C(O)CH3
  791574.7409  0.0202 -5.5767 3 1076.3104D20 -59516140482 182 1    81 181 1      C-13-H3C(O)CH3
  791574.7409  0.0202 -4.0610 3 1076.3104D20 -59516140482 182 1    81 081 1      C-13-H3C(O)CH3
  791574.7409  0.0202 -5.5767 3 1076.3104D20 -59516140482 082 1    81 081 1      C-13-H3C(O)CH3
  791574.7409  0.0252 -4.0988 3 1076.3103D20 -59516140482 182 2    81 181 2      C-13-H3C(O)CH3
  791574.7409  0.0252 -5.0048 3 1076.3103D20 -59516140482 082 2    81 181 2      C-13-H3C(O)CH3
  791574.7409  0.0202 -4.0610 3 1076.3104D20 -59516140482 082 1    81 181 1      C-13-H3C(O)CH3
  791574.7409  0.0252 -5.0048 3 1076.3103D20 -59516140482 182 2    81 081 2      C-13-H3C(O)CH3
  791577.4367  0.0160 -4.0537 3 1076.2481D20  59516140482 082 0    81 081 0      C-13-H3C(O)CH3
  791577.4946  0.0160 -4.0487 3 1076.2481D20 -59516140482 182 0    81 181 0      C-13-H3C(O)CH3
  791577.4946  0.0160 -5.9179 3 1076.2481D20 -59516140482 082 0    81 181 0      C-13-H3C(O)CH3
  791586.5890  0.0219 -5.5767 3  261.0023252  5951614043123 8 4    302011 4      C-13-H3C(O)CH3
  791590.0437  0.0161 -5.7274 3  222.5969228  5951614042824 4 3    2721 7 3      C-13-H3C(O)CH3
  791603.0283  0.4212 -5.6662 3 1233.4866A80  595161404674226 2    664323 2      C-13-H3C(O)CH3
  791614.1566  0.5151 -6.0652 3 1404.4868B44  595161404714725 0    704822 0      C-13-H3C(O)CH3
  791706.9868  0.0165 -5.1603 3  261.0255504  5951614043123 8 2    302011 2      C-13-H3C(O)CH3
  791714.0977  0.0169 -5.7235 3  222.5676228  5951614042824 5 4    2721 7 4      C-13-H3C(O)CH3
  791717.0268  0.0106 -4.8802 3  261.0446504  5951614043123 8 0    302011 0      C-13-H3C(O)CH3
  791747.1010  0.5171 -6.0650 3 1404.4866B44  595161404714724 0    704823 0      C-13-H3C(O)CH3
  791773.4578  0.1654 -5.6016 3 1188.3416A64  595161404664027 0    654124 0      C-13-H3C(O)CH3
  791778.5226  0.0046 -3.3541 3  514.7818680 -5951614044234 8 0    4133 9 0      C-13-H3C(O)CH3
  791778.5226  0.0046 -3.3541 3  514.7818680 -5951614044234 9 0    4133 8 0      C-13-H3C(O)CH3
  791783.0095  0.4458 -6.0722 3 1404.5021B44  595161404714725 2    704823 2      C-13-H3C(O)CH3
  791806.7009  0.0143 -5.4308 3  222.6533456  5951614042824 4 2    2721 6 2      C-13-H3C(O)CH3
  791869.0658  0.0052 -3.3541 3  514.7684680 -5951614044234 9 2    4133 9 2      C-13-H3C(O)CH3
  791871.3499  0.0052 -3.3541 3  514.7888680 -5951614044234 8 2    4133 8 2      C-13-H3C(O)CH3
  791880.6810  0.0052 -3.3540 3  514.7499680 -5951614044234 9 1    4133 9 1      C-13-H3C(O)CH3
  791927.4983  0.0146 -5.4270 3  222.6240456  5951614042824 5 2    2721 7 2      C-13-H3C(O)CH3
  791932.0358  0.0053 -3.3539 3  514.7812680 -5951614044234 8 1    4133 8 1      C-13-H3C(O)CH3
  791942.6643  0.3009 -5.6595 3 1233.4508A80  595161404674226 0    664323 0      C-13-H3C(O)CH3
  791972.1526  0.0071 -3.6551 3  514.7364340  5951614044234 9 4    4133 9 4      C-13-H3C(O)CH3
  791974.0328  0.0070 -3.6551 3  514.7569340  5951614044234 9 3    4133 9 3      C-13-H3C(O)CH3
  791989.1014  0.0072 -3.6904 3  532.9390712 -595161404443014 1    432914 1      C-13-H3C(O)CH3
  792011.2970  0.0280 -4.1571 3 1006.3708A96  595161404681652 0    671651 0      C-13-H3C(O)CH3
  792011.2970  0.0280 -4.1571 3 1006.3708A96  595161404681752 0    671751 0      C-13-H3C(O)CH3
  792011.2970  0.0280 -5.3448 3 1006.3708A96  595161404681752 0    671651 0      C-13-H3C(O)CH3
  792011.2970  0.0280 -5.3448 3 1006.3708A96  595161404681652 0    671751 0      C-13-H3C(O)CH3
  792023.1429  0.0070 -3.6550 3  514.7679340  5951614044234 8 3    4133 8 3      C-13-H3C(O)CH3
  792024.6226  0.0074 -3.6550 3  514.7881340  5951614044234 8 4    4133 8 4      C-13-H3C(O)CH3
  792029.4140  0.5252 -6.0730 3 1404.5061B44  595161404714725 1    704823 1      C-13-H3C(O)CH3
  792033.2867  0.0073 -3.6390 3  532.9547712  595161404443014 2    432914 2      C-13-H3C(O)CH3
  792050.3430  0.0304 -4.4544 3 1006.3683A96  595161404681652 1    671651 1      C-13-H3C(O)CH3
  792050.3430  0.0304 -4.4085 3 1006.3683A96  595161404681752 1    671651 1      C-13-H3C(O)CH3
  792050.3430  0.0304 -4.4085 3 1006.3683A96  595161404681652 1    671751 1      C-13-H3C(O)CH3
  792050.3430  0.0304 -4.4544 3 1006.3683A96  595161404681752 1    671751 1      C-13-H3C(O)CH3
  792050.8128  0.0304 -4.1388 3 1006.3682A96  595161404681752 2    671751 2      C-13-H3C(O)CH3
  792050.8128  0.0304 -5.8197 3 1006.3682A96  595161404681752 2    671651 2      C-13-H3C(O)CH3
  792050.8128  0.0304 -5.8197 3 1006.3682A96  595161404681652 2    671751 2      C-13-H3C(O)CH3
  792050.8128  0.0304 -4.1388 3 1006.3682A96  595161404681652 2    671651 2      C-13-H3C(O)CH3
  792070.2837  0.0119 -4.1693 3  532.9357356  595161404443014 3    432914 3      C-13-H3C(O)CH3
  792076.4883  0.0146 -5.4263 3  222.6078456  5951614042824 5 1    2721 7 1      C-13-H3C(O)CH3
  792089.8985  0.0328 -4.4333 3 1006.3656548  595161404681752 3    671651 3      C-13-H3C(O)CH3
  792089.8985  0.0328 -4.5211 3 1006.3656548  595161404681652 3    671751 3      C-13-H3C(O)CH3
  792089.8985  0.0328 -5.3357 3 1006.3656548  595161404681652 3    671651 3      C-13-H3C(O)CH3
  792089.9651  0.0328 -4.4574 3 1006.3656548  595161404681752 4    671751 4      C-13-H3C(O)CH3
  792089.9651  0.0328 -5.6575 3 1006.3656548  595161404681752 4    671651 4      C-13-H3C(O)CH3
  792089.9651  0.0328 -5.6575 3 1006.3656548  595161404681652 4    671751 4      C-13-H3C(O)CH3
  792089.9651  0.0328 -4.4574 3 1006.3656548  595161404681652 4    671651 4      C-13-H3C(O)CH3
  792097.0374  0.0072 -3.6901 3  532.9035712 -595161404443015 1    432915 1      C-13-H3C(O)CH3
  792145.3578  0.0068 -3.6383 3  532.9057712 -595161404443015 2    432915 2      C-13-H3C(O)CH3
  792195.8560  0.0082 -3.9119 3  532.9608356 -595161404443014 4    432914 4      C-13-H3C(O)CH3
  792217.9161  0.0081 -3.9111 3  532.8848356  595161404443015 4    432915 4      C-13-H3C(O)CH3
  792294.8059  0.0153 -5.4308 3  222.6640456  5951614042824 5 0    2721 6 0      C-13-H3C(O)CH3
  792298.8086  0.0153 -5.4308 3  222.6639456  5951614042824 4 0    2721 7 0      C-13-H3C(O)CH3
  792342.8962  0.0108 -4.1686 3  532.9099356  595161404443015 3    432915 3      C-13-H3C(O)CH3
  792380.2050  0.0056 -3.5936 3  532.9181712  595161404443014 0    432915 0      C-13-H3C(O)CH3
  792399.8002  0.0131 -5.5332 3  212.6214472  595161404291712 2    281415 2      C-13-H3C(O)CH3
  792558.4983  0.0118 -5.5332 3  212.6354472  595161404291712 0    281415 0      C-13-H3C(O)CH3
  792602.4812  0.0160 -5.8356 3  212.6110236  595161404291712 3    281415 3      C-13-H3C(O)CH3
  792610.0347  0.0182 -5.8356 3  212.6110236  595161404291712 4    281415 4      C-13-H3C(O)CH3
  792643.2174  0.0233 -4.2471 3 1066.0353C24  59516140476 869 0    75 868 0      C-13-H3C(O)CH3
  792643.2174  0.0233 -4.6811 3 1066.0353C24  59516140476 769 0    75 868 0      C-13-H3C(O)CH3
  792643.2174  0.0233 -4.2471 3 1066.0353C24  59516140476 769 0    75 768 0      C-13-H3C(O)CH3
  792643.2174  0.0233 -4.6811 3 1066.0353C24  59516140476 869 0    75 768 0      C-13-H3C(O)CH3
  792650.0630  0.0415 -4.1470 3 1066.0043C24  59516140476 869 1    75 768 1      C-13-H3C(O)CH3
  792650.0630  0.0415 -5.2086 3 1066.0043C24  59516140476 869 1    75 868 1      C-13-H3C(O)CH3
  792650.0630  0.0415 -5.2086 3 1066.0043C24  59516140476 769 1    75 768 1      C-13-H3C(O)CH3
  792650.0630  0.0415 -4.1470 3 1066.0043C24  59516140476 769 1    75 868 1      C-13-H3C(O)CH3
  792650.1991  0.0405 -4.9885 3 1066.0042C24  59516140476 769 2    75 768 2      C-13-H3C(O)CH3
  792650.1991  0.0405 -4.1726 3 1066.0042C24  59516140476 869 2    75 768 2      C-13-H3C(O)CH3
  792650.1991  0.0405 -4.1726 3 1066.0042C24  59516140476 769 2    75 868 2      C-13-H3C(O)CH3
  792650.1991  0.0405 -4.9885 3 1066.0042C24  59516140476 869 2    75 868 2      C-13-H3C(O)CH3
  792654.4209  0.0047 -3.4513 3  522.7238696 -595161404433212 0    423111 0      C-13-H3C(O)CH3
  792656.4105  0.0047 -3.4513 3  522.7237696 -595161404433211 0    423112 0      C-13-H3C(O)CH3
  792657.0383  0.0226 -6.1288 3 1065.9731612  59516140476 769 4    75 768 4      C-13-H3C(O)CH3
  792657.0383  0.0226 -4.4203 3 1065.9731612  59516140476 769 4    75 868 4      C-13-H3C(O)CH3
  792657.0383  0.0226 -6.1288 3 1065.9731612  59516140476 869 4    75 868 4      C-13-H3C(O)CH3
  792657.0383  0.0226 -4.4203 3 1065.9731612  59516140476 869 4    75 768 4      C-13-H3C(O)CH3
  792657.0572  0.0226 -4.4299 3 1065.9732612  59516140476 769 3    75 868 3      C-13-H3C(O)CH3
  792657.0572  0.0226 -5.8012 3 1065.9732612  59516140476 869 3    75 868 3      C-13-H3C(O)CH3
  792657.0572  0.0226 -4.4299 3 1065.9732612  59516140476 869 3    75 768 3      C-13-H3C(O)CH3
  792657.0572  0.0226 -5.8012 3 1065.9732612  59516140476 769 3    75 768 3      C-13-H3C(O)CH3
  792747.4930  0.0059 -3.4513 3  522.7009696 -595161404433212 1    423112 1      C-13-H3C(O)CH3
  792758.4993  0.0050 -3.4514 3  522.7442696 -595161404433211 2    423111 2      C-13-H3C(O)CH3
  792760.5873  0.0134 -5.5348 3  212.6250472  595161404291712 1    281415 1      C-13-H3C(O)CH3
  792781.1900  0.0056 -3.4511 3  522.7150696 -595161404433212 2    423112 2      C-13-H3C(O)CH3
  792790.3246  0.0050 -3.4513 3  522.7269696 -595161404433211 1    423111 1      C-13-H3C(O)CH3
  792796.8610  0.0076 -4.5807 3  237.4589268  595161404331023 4    32 924 4      C-13-H3C(O)CH3
  792796.8610  0.0076 -4.5806 3  237.4589268  595161404331123 4    32 824 4      C-13-H3C(O)CH3
  792797.3274  0.0066 -4.5795 3  237.4588268  595161404331123 3    32 824 3      C-13-H3C(O)CH3
  792797.3274  0.0066 -4.5795 3  237.4588268  595161404331023 3    32 924 3      C-13-H3C(O)CH3
  792842.2955  0.0508 -4.2231 3  532.9099356  595161404443014 3    432915 3      C-13-H3C(O)CH3
  792851.2108  0.0069 -3.7526 3  522.7212348  595161404433211 3    423111 3      C-13-H3C(O)CH3
  792874.0010  0.0076 -3.7521 3  522.6919348  595161404433212 4    423112 4      C-13-H3C(O)CH3
  792893.9041  0.0064 -3.7525 3  522.7473348  595161404433211 4    423111 4      C-13-H3C(O)CH3
  792917.2784  0.0067 -3.7523 3  522.7180348  595161404433212 3    423112 3      C-13-H3C(O)CH3
  793010.9173  0.0136 -5.3592 3  229.9032488  595161404301812 2    291515 2      C-13-H3C(O)CH3
  793029.8685  0.0088 -4.6607 3  288.6380536  595161404332211 1    321914 1      C-13-H3C(O)CH3
  793047.8962  0.0059 -4.2838 3  237.4661536  595161404331123 2    32 824 2      C-13-H3C(O)CH3
  793047.8962  0.0059 -4.2781 3  237.4661536  595161404331023 2    32 924 2      C-13-H3C(O)CH3
  793052.8587  0.0356 -4.2943 3  532.9035712  595161404443014 1    432915 1      C-13-H3C(O)CH3
  793058.2802  0.0061 -4.2782 3  237.4671536  595161404331023 1    32 924 1      C-13-H3C(O)CH3
  793058.2802  0.0061 -4.2782 3  237.4671536  595161404331123 1    32 824 1      C-13-H3C(O)CH3
  793070.2031  0.0095 -5.5843 3  550.2940728  595161404452916 1    442816 1      C-13-H3C(O)CH3
  793079.2263  0.0267 -4.2083 3 1018.0995B12  595161404691554 0    681553 0      C-13-H3C(O)CH3
  793079.2263  0.0267 -4.9365 3 1018.0995B12  595161404691554 0    681653 0      C-13-H3C(O)CH3
  793079.2263  0.0267 -4.9365 3 1018.0995B12  595161404691654 0    681553 0      C-13-H3C(O)CH3
  793079.2263  0.0267 -4.2083 3 1018.0995B12  595161404691654 0    681653 0      C-13-H3C(O)CH3
  793116.8738  0.0094 -4.9604 3  288.6141268  595161404332211 4    321914 4      C-13-H3C(O)CH3
  793117.3600  0.0303 -5.6867 3 1018.0947B12  595161404691654 1    681553 1      C-13-H3C(O)CH3
  793117.3600  0.0303 -4.1462 3 1018.0947B12  595161404691554 1    681553 1      C-13-H3C(O)CH3
  793117.3600  0.0303 -5.6867 3 1018.0947B12  595161404691554 1    681653 1      C-13-H3C(O)CH3
  793117.3600  0.0303 -4.1462 3 1018.0947B12  595161404691654 1    681653 1      C-13-H3C(O)CH3
  793117.6764  0.0301 -4.2709 3 1018.0946B12  595161404691654 2    681653 2      C-13-H3C(O)CH3
  793117.6764  0.0301 -4.7016 3 1018.0946B12  595161404691654 2    681553 2      C-13-H3C(O)CH3
  793117.6764  0.0301 -4.7016 3 1018.0946B12  595161404691554 2    681653 2      C-13-H3C(O)CH3
  793117.6764  0.0301 -4.2709 3 1018.0946B12  595161404691554 2    681553 2      C-13-H3C(O)CH3
  793145.0463  0.0123 -5.3597 3  229.9206488  595161404301812 0    291515 0      C-13-H3C(O)CH3
  793147.5187  0.0099 -4.9648 3  288.6142268  595161404332211 3    321914 3      C-13-H3C(O)CH3
  793154.5505  0.0092 -4.6603 3  288.6561536  595161404332211 0    321914 0      C-13-H3C(O)CH3
  793155.8476  0.0322 -4.5898 3 1018.0897556  595161404691654 3    681553 3      C-13-H3C(O)CH3
  793155.8476  0.0322 -4.9576 3 1018.0897556  595161404691654 3    681653 3      C-13-H3C(O)CH3
  793155.8476  0.0322 -4.9576 3 1018.0897556  595161404691554 3    681553 3      C-13-H3C(O)CH3
  793155.8476  0.0322 -4.5898 3 1018.0897556  595161404691554 3    681653 3      C-13-H3C(O)CH3
  793155.9102  0.0322 -4.4349 3 1018.0897556  595161404691554 4    681553 4      C-13-H3C(O)CH3
  793155.9102  0.0322 -4.4349 3 1018.0897556  595161404691654 4    681653 4      C-13-H3C(O)CH3
  793206.9478  0.0124 -5.2079 3  550.2926728  595161404452916 2    442816 2      C-13-H3C(O)CH3
  793210.0202  0.0229 -4.1339 3  866.1935936  595161404582731 0    572830 0      C-13-H3C(O)CH3
  793210.1449  0.0229 -4.1339 3  866.1935936  595161404582831 0    572730 0      C-13-H3C(O)CH3
  793242.1979  0.0186 -5.6622 3  229.8899244  595161404301812 4    291515 4      C-13-H3C(O)CH3
  793247.6587  0.0160 -5.6622 3  229.8899244  595161404301812 3    291515 3      C-13-H3C(O)CH3
  793255.9027  0.1245 -6.0397 3 1221.4120540  595161404674028 4    664125 4      C-13-H3C(O)CH3
  793258.3281  0.0239 -4.1340 3  866.1983936  595161404582731 1    572830 1      C-13-H3C(O)CH3
  793258.4725  0.0239 -4.1340 3  866.1983936  595161404582831 1    572730 1      C-13-H3C(O)CH3
  793259.2424  0.1344 -5.7412 3 1221.3980A80  595161404674028 1    664125 1      C-13-H3C(O)CH3
  793261.4680  0.0094 -4.6613 3  288.6323536  595161404332211 2    321914 2      C-13-H3C(O)CH3
  793263.3657  0.0258 -4.1339 3  866.1987936  595161404582731 2    572830 2      C-13-H3C(O)CH3
  793263.5050  0.0258 -4.1339 3  866.1987936  595161404582831 2    572730 2      C-13-H3C(O)CH3
  793271.0199  0.0249 -4.1295 3  884.3252952  595161404592633 0    582732 0      C-13-H3C(O)CH3
  793271.0221  0.0249 -4.1295 3  884.3252952  595161404592733 0    582632 0      C-13-H3C(O)CH3
  793274.1347  0.1280 -5.7452 3 1221.3855A80  595161404674028 0    664125 0      C-13-H3C(O)CH3
  793289.1326  0.1085 -6.0388 3 1221.4110540  595161404674028 3    664125 3      C-13-H3C(O)CH3
  793293.6719  0.1127 -5.7422 3 1221.3986A80  595161404674028 2    664125 2      C-13-H3C(O)CH3
  793308.3898  0.0059 -4.2782 3  237.4743536  595161404331123 0    32 824 0      C-13-H3C(O)CH3
  793308.3898  0.0059 -4.2782 3  237.4743536  595161404331023 0    32 924 0      C-13-H3C(O)CH3
  793311.7407  0.0272 -4.4351 3  866.2034468  595161404582731 3    572830 3      C-13-H3C(O)CH3
  793311.8407  0.0272 -4.4351 3  866.2034468  595161404582731 4    572830 4      C-13-H3C(O)CH3
  793311.9019  0.0272 -4.4351 3  866.2034468  595161404582831 3    572730 3      C-13-H3C(O)CH3
  793312.0008  0.0272 -4.4351 3  866.2034468  595161404582831 4    572730 4      C-13-H3C(O)CH3
  793316.4735  0.0258 -4.1295 3  884.3309952  595161404592633 1    582732 1      C-13-H3C(O)CH3
  793316.4762  0.0258 -4.1295 3  884.3309952  595161404592733 1    582632 1      C-13-H3C(O)CH3
  793320.2166  0.0275 -4.1295 3  884.3313952  595161404592633 2    582732 2      C-13-H3C(O)CH3
  793320.2191  0.0275 -4.1295 3  884.3313952  595161404592733 2    582632 2      C-13-H3C(O)CH3
  793365.7303  0.0288 -4.4306 3  884.3370476  595161404592633 3    582732 3      C-13-H3C(O)CH3
  793365.7335  0.0288 -4.4306 3  884.3370476  595161404592733 3    582632 3      C-13-H3C(O)CH3
  793365.8230  0.0288 -4.4306 3  884.3370476  595161404592633 4    582732 4      C-13-H3C(O)CH3
  793365.8261  0.0288 -4.4306 3  884.3370476  595161404592733 4    582632 4      C-13-H3C(O)CH3
  793374.9970  0.0136 -5.3618 3  229.9073488  595161404301812 1    291515 1      C-13-H3C(O)CH3
  793433.6004  0.0161 -5.1010 3  550.2834364  595161404452916 4    442816 4      C-13-H3C(O)CH3
  793502.6974  0.0555 -4.5980 3  532.9057712  595161404443014 2    432915 2      C-13-H3C(O)CH3
  793627.5648  0.0210 -4.1438 3  847.3705920  595161404572829 0    562928 0      C-13-H3C(O)CH3
  793630.4843  0.0268 -4.1285 3  901.8085968  595161404602635 0    592534 0      C-13-H3C(O)CH3
  793630.4843  0.0268 -4.1285 3  901.8085968  595161404602535 0    592634 0      C-13-H3C(O)CH3
  793633.0225  0.0210 -4.1438 3  847.3703920  595161404572929 0    562828 0      C-13-H3C(O)CH3
  793674.0094  0.0277 -4.1286 3  901.8146968  595161404602535 1    592634 1      C-13-H3C(O)CH3
  793674.0095  0.0277 -4.1286 3  901.8146968  595161404602635 1    592534 1      C-13-H3C(O)CH3
  793676.9305  0.0291 -4.1285 3  901.8151968  595161404602535 2    592634 2      C-13-H3C(O)CH3
  793676.9305  0.0291 -4.1285 3  901.8151968  595161404602635 2    592534 2      C-13-H3C(O)CH3
  793680.1736  0.0220 -4.1439 3  847.3739920  595161404572829 1    562928 1      C-13-H3C(O)CH3
  793686.1878  0.0220 -4.1439 3  847.3737920  595161404572929 1    562828 1      C-13-H3C(O)CH3
  793687.4327  0.0241 -4.1439 3  847.3741920  595161404572829 2    562928 2      C-13-H3C(O)CH3
  793693.3684  0.0239 -4.1439 3  847.3739920  595161404572929 2    562828 2      C-13-H3C(O)CH3
  793720.5110  0.0303 -4.4296 3  901.8213484  595161404602635 3    592534 3      C-13-H3C(O)CH3
  793720.5110  0.0303 -4.4296 3  901.8213484  595161404602535 3    592634 3      C-13-H3C(O)CH3
  793720.5990  0.0303 -4.4296 3  901.8213484  595161404602535 4    592634 4      C-13-H3C(O)CH3
  793720.5991  0.0303 -4.4296 3  901.8213484  595161404602635 4    592534 4      C-13-H3C(O)CH3
  793740.1014  0.0255 -4.4450 3  847.3775460  595161404572829 3    562928 3      C-13-H3C(O)CH3
  793740.2256  0.0255 -4.4450 3  847.3775460  595161404572829 4    562928 4      C-13-H3C(O)CH3
  793746.6419  0.0254 -4.4450 3  847.3773460  595161404572929 3    562828 3      C-13-H3C(O)CH3
  793746.7404  0.0254 -4.4450 3  847.3774460  595161404572929 4    562828 4      C-13-H3C(O)CH3
  793831.5424  0.0204 -4.5817 3 1072.8141620  59516140477 771 4    76 770 4      C-13-H3C(O)CH3
  793831.5424  0.0204 -4.8982 3 1072.8141620  59516140477 671 4    76 770 4      C-13-H3C(O)CH3
  793831.5424  0.0204 -4.8982 3 1072.8141620  59516140477 771 4    76 670 4      C-13-H3C(O)CH3
  793831.5424  0.0204 -4.5817 3 1072.8141620  59516140477 671 4    76 670 4      C-13-H3C(O)CH3
  793831.5749  0.0204 -4.8378 3 1072.8141620  59516140477 671 3    76 770 3      C-13-H3C(O)CH3
  793831.5749  0.0204 -4.6142 3 1072.8141620  59516140477 671 3    76 670 3      C-13-H3C(O)CH3
  793831.5749  0.0204 -4.6142 3 1072.8141620  59516140477 771 3    76 770 3      C-13-H3C(O)CH3
  793831.5749  0.0204 -4.8378 3 1072.8141620  59516140477 771 3    76 670 3      C-13-H3C(O)CH3
  793832.1601  0.0382 -4.2041 3 1072.8467C40  59516140477 671 1    76 670 1      C-13-H3C(O)CH3
  793832.1601  0.0382 -4.2041 3 1072.8467C40  59516140477 771 1    76 770 1      C-13-H3C(O)CH3
  793832.1601  0.0382 -4.8194 3 1072.8467C40  59516140477 671 1    76 770 1      C-13-H3C(O)CH3
  793832.1601  0.0382 -4.8194 3 1072.8467C40  59516140477 771 1    76 670 1      C-13-H3C(O)CH3
  793832.3483  0.0375 -4.3667 3 1072.8466C40  59516140477 771 2    76 670 2      C-13-H3C(O)CH3
  793832.3483  0.0375 -4.4599 3 1072.8466C40  59516140477 771 2    76 770 2      C-13-H3C(O)CH3
  793832.3483  0.0375 -4.3667 3 1072.8466C40  59516140477 671 2    76 770 2      C-13-H3C(O)CH3
  793832.3483  0.0375 -4.4599 3 1072.8466C40  59516140477 671 2    76 670 2      C-13-H3C(O)CH3
  793832.9432  0.0219 -4.1925 3 1072.8791C40  59516140477 671 0    76 670 0      C-13-H3C(O)CH3
  793832.9432  0.0219 -4.8709 3 1072.8791C40  59516140477 771 0    76 670 0      C-13-H3C(O)CH3
  793832.9432  0.0219 -4.2387 3 1072.8791C40  59516140477 771 0    76 770 0      C-13-H3C(O)CH3
  793832.9432  0.0219 -4.7002 3 1072.8791C40  59516140477 671 0    76 770 0      C-13-H3C(O)CH3
  794085.2301  0.0136 -5.1695 3  247.7473504  595161404311912 2    301615 2      C-13-H3C(O)CH3
  794165.4930  0.0253 -4.2188 3 1029.2837B28  595161404701456 0    691455 0      C-13-H3C(O)CH3
  794165.4930  0.0253 -4.9059 3 1029.2837B28  595161404701556 0    691455 0      C-13-H3C(O)CH3
  794165.4930  0.0253 -4.2188 3 1029.2837B28  595161404701556 0    691555 0      C-13-H3C(O)CH3
  794165.4930  0.0253 -4.9059 3 1029.2837B28  595161404701456 0    691555 0      C-13-H3C(O)CH3
  794187.5695  0.0286 -4.1299 3  918.6714984  595161404612537 0    602436 0      C-13-H3C(O)CH3
  794187.5695  0.0286 -4.1306 3  918.6714984  595161404612437 0    602536 0      C-13-H3C(O)CH3
  794189.2902  0.0121 -5.1704 3  247.7676504  595161404311912 0    301615 0      C-13-H3C(O)CH3
  794202.3437  0.0308 -4.5935 3 1029.2763B28  595161404701456 1    691555 1      C-13-H3C(O)CH3
  794202.3437  0.0308 -5.2966 3 1029.2763B28  595161404701556 1    691455 1      C-13-H3C(O)CH3
  794202.3437  0.0308 -4.3247 3 1029.2763B28  595161404701556 1    691555 1      C-13-H3C(O)CH3
  794202.3437  0.0308 -4.1688 3 1029.2763B28  595161404701456 1    691455 1      C-13-H3C(O)CH3
  794202.5267  0.0303 -4.1399 3 1029.2762B28  595161404701456 2    691455 2      C-13-H3C(O)CH3
  794202.5267  0.0303 -4.1399 3 1029.2762B28  595161404701556 2    691555 2      C-13-H3C(O)CH3
  794229.7591  0.0294 -4.1301 3  918.6777984  595161404612437 1    602536 1      C-13-H3C(O)CH3
  794229.7591  0.0294 -4.1300 3  918.6777984  595161404612537 1    602436 1      C-13-H3C(O)CH3
  794232.1247  0.0306 -4.1298 3  918.6782984  595161404612437 2    602536 2      C-13-H3C(O)CH3
  794232.1247  0.0306 -4.1298 3  918.6782984  595161404612537 2    602436 2      C-13-H3C(O)CH3
  794239.4124  0.0315 -5.1600 3 1029.2687564  595161404701456 3    691555 3      C-13-H3C(O)CH3
  794239.4124  0.0315 -5.1600 3 1029.2687564  595161404701556 3    691455 3      C-13-H3C(O)CH3
  794239.4124  0.0315 -4.5301 3 1029.2687564  595161404701556 3    691555 3      C-13-H3C(O)CH3
  794239.4124  0.0315 -4.5301 3 1029.2687564  595161404701456 3    691455 3      C-13-H3C(O)CH3
  794239.4702  0.0315 -5.8096 3 1029.2687564  595161404701556 4    691455 4      C-13-H3C(O)CH3
  794239.4702  0.0315 -4.4575 3 1029.2687564  595161404701556 4    691555 4      C-13-H3C(O)CH3
  794239.4702  0.0315 -4.4575 3 1029.2687564  595161404701456 4    691455 4      C-13-H3C(O)CH3
  794239.4702  0.0315 -5.8096 3 1029.2687564  595161404701456 4    691555 4      C-13-H3C(O)CH3
  794274.3663  0.0316 -4.4311 3  918.6846492  595161404612437 3    602536 3      C-13-H3C(O)CH3
  794274.3663  0.0316 -4.4310 3  918.6846492  595161404612537 3    602436 3      C-13-H3C(O)CH3
  794274.4509  0.0317 -4.4311 3  918.6846492  595161404612537 4    602436 4      C-13-H3C(O)CH3
  794274.4509  0.0317 -4.4309 3  918.6846492  595161404612437 4    602536 4      C-13-H3C(O)CH3
  794287.8742  0.0176 -5.4726 3  247.7318252  595161404311912 4    301615 4      C-13-H3C(O)CH3
  794305.1746  0.0165 -5.4728 3  247.7318252  595161404311912 3    301615 3      C-13-H3C(O)CH3
  794397.7898  0.0135 -5.1727 3  247.7520504  595161404311912 1    301615 1      C-13-H3C(O)CH3
  794434.5571  0.0202 -4.2796 3  365.6598600  595161404372414 1    362115 1      C-13-H3C(O)CH3
  794475.1269  0.0693 -5.3054 3  532.8848356  595161404443014 4    432915 4      C-13-H3C(O)CH3
  794480.4253  0.0067 -3.2069 3  511.9913648 -5951614044039 1 0    3938 2 0      C-13-H3C(O)CH3
  794480.4253  0.0067 -3.2069 3  511.9913648 -5951614044039 2 0    3938 1 0      C-13-H3C(O)CH3
  794504.4546  0.0190 -4.2807 3  365.6781600  595161404372414 0    362115 0      C-13-H3C(O)CH3
  794594.0486  0.0109 -4.8314 3  204.0655260  59516140432 725 4    31 526 4      C-13-H3C(O)CH3
  794594.0486  0.0109 -4.8314 3  204.0655260  59516140432 825 4    31 626 4      C-13-H3C(O)CH3
  794594.3950  0.0093 -4.8308 3  204.0654260  59516140432 825 3    31 626 3      C-13-H3C(O)CH3
  794594.3950  0.0093 -4.8308 3  204.0654260  59516140432 725 3    31 526 3      C-13-H3C(O)CH3
  794609.0039  0.0070 -3.2066 3  511.9341648 -5951614044039 2 2    3938 2 2      C-13-H3C(O)CH3
  794691.6720  0.0077 -3.2066 3  511.9895648 -5951614044039 1 2    3938 1 2      C-13-H3C(O)CH3
  794704.5580  0.0072 -3.2065 3  511.9465648 -5951614044039 2 1    3938 2 1      C-13-H3C(O)CH3
  794709.9895  0.0071 -3.2067 3  512.0185648 -5951614044039 1 1    3938 1 1      C-13-H3C(O)CH3
  794821.3178  0.0194 -4.1632 3  827.7866904  595161404562927 0    553026 0      C-13-H3C(O)CH3
  794832.5597  0.0105 -3.5073 3  511.8894324  5951614044039 2 4    3938 2 4      C-13-H3C(O)CH3
  794838.0160  0.0099 -3.5075 3  511.9613324  5951614044039 1 3    3938 1 3      C-13-H3C(O)CH3
  794859.0053  0.0227 -4.5850 3  365.6252300  595161404372414 4    362115 4      C-13-H3C(O)CH3
  794876.9504  0.0205 -4.1634 3  827.7880904  595161404562927 1    553026 1      C-13-H3C(O)CH3
  794881.7161  0.0301 -4.1335 3  934.9333A00  595161404622339 0    612338 0      C-13-H3C(O)CH3
  794881.7161  0.0301 -4.1335 3  934.9333A00  595161404622439 0    612438 0      C-13-H3C(O)CH3
  794888.4456  0.0230 -4.1634 3  827.7877904  595161404562927 2    553026 2      C-13-H3C(O)CH3
  794897.3188  0.0255 -4.5834 3  365.6250300  595161404372414 3    362115 3      C-13-H3C(O)CH3
  794915.2579  0.0105 -3.5073 3  511.9447324  5951614044039 2 3    3938 2 3      C-13-H3C(O)CH3
  794921.2806  0.0111 -3.5075 3  512.0167324  5951614044039 1 4    3938 1 4      C-13-H3C(O)CH3
  794922.9809  0.0309 -4.1880 3  934.9397A00  595161404622339 1    612438 1      C-13-H3C(O)CH3
  794922.9809  0.0309 -4.1880 3  934.9397A00  595161404622439 1    612338 1      C-13-H3C(O)CH3
  794922.9809  0.0309 -5.0544 3  934.9397A00  595161404622339 1    612338 1      C-13-H3C(O)CH3
  794922.9809  0.0309 -5.0544 3  934.9397A00  595161404622439 1    612438 1      C-13-H3C(O)CH3
  794924.9478  0.0319 -5.2378 3  934.9401A00  595161404622439 2    612438 2      C-13-H3C(O)CH3
  794924.9478  0.0319 -4.1681 3  934.9401A00  595161404622339 2    612438 2      C-13-H3C(O)CH3
  794924.9478  0.0319 -5.2503 3  934.9401A00  595161404622439 2    612338 2      C-13-H3C(O)CH3
  794924.9478  0.0319 -4.1670 3  934.9401A00  595161404622339 2    612338 2      C-13-H3C(O)CH3
  794943.8313  0.0245 -4.4646 3  827.7891452  595161404562927 3    553026 3      C-13-H3C(O)CH3
  794944.1941  0.0245 -4.4646 3  827.7891452  595161404562927 4    553026 4      C-13-H3C(O)CH3
  794956.2522  0.0219 -4.2845 3  365.6433600  595161404372414 2    362115 2      C-13-H3C(O)CH3
  794966.2621  0.0329 -6.0559 3  934.9465500  595161404622339 3    612438 3      C-13-H3C(O)CH3
  794966.2621  0.0329 -6.0559 3  934.9465500  595161404622439 3    612338 3      C-13-H3C(O)CH3
  794966.2621  0.0329 -4.4441 3  934.9465500  595161404622339 3    612338 3      C-13-H3C(O)CH3
  794966.2621  0.0329 -4.4441 3  934.9465500  595161404622439 3    612438 3      C-13-H3C(O)CH3
  794966.3441  0.0329 -4.4504 3  934.9465500  595161404622339 4    612338 4      C-13-H3C(O)CH3
  794966.3441  0.0329 -4.4504 3  934.9465500  595161404622439 4    612438 4      C-13-H3C(O)CH3
  794966.3441  0.0329 -5.8554 3  934.9465500  595161404622439 4    612338 4      C-13-H3C(O)CH3
  794966.3441  0.0329 -5.8554 3  934.9465500  595161404622339 4    612438 4      C-13-H3C(O)CH3
  794997.4510  0.0189 -4.1630 3  827.7820904  595161404563027 0    552926 0      C-13-H3C(O)CH3
  795016.1634  0.0080 -4.5243 3  204.0540520  59516140432 825 2    31 526 2      C-13-H3C(O)CH3
  795016.1634  0.0080 -4.5243 3  204.0540520  59516140432 725 2    31 626 2      C-13-H3C(O)CH3
  795016.2617  0.0176 -5.1024 3 1079.1239628  59516140478 573 4    77 672 4      C-13-H3C(O)CH3
  795016.2617  0.0176 -5.1024 3 1079.1239628  59516140478 673 4    77 572 4      C-13-H3C(O)CH3
  795016.2617  0.0176 -4.5072 3 1079.1239628  59516140478 673 4    77 672 4      C-13-H3C(O)CH3
  795016.2617  0.0176 -4.5072 3 1079.1239628  59516140478 573 4    77 572 4      C-13-H3C(O)CH3
  795016.3035  0.0176 -4.4112 3 1079.1239628  59516140478 573 3    77 672 3      C-13-H3C(O)CH3
  795016.3035  0.0176 -4.4112 3 1079.1239628  59516140478 673 3    77 572 3      C-13-H3C(O)CH3
  795022.9683  0.0086 -5.7689 3  204.0546520  59516140432 825 1    31 626 1      C-13-H3C(O)CH3
  795022.9683  0.0086 -4.5493 3  204.0546520  59516140432 825 1    31 526 1      C-13-H3C(O)CH3
  795022.9683  0.0086 -4.5493 3  204.0546520  59516140432 725 1    31 626 1      C-13-H3C(O)CH3
  795022.9683  0.0086 -5.7689 3  204.0546520  59516140432 725 1    31 526 1      C-13-H3C(O)CH3
  795024.8161  0.0318 -4.2012 3 1079.1560C56  59516140478 573 1    77 572 1      C-13-H3C(O)CH3
  795024.8161  0.0318 -4.2012 3 1079.1560C56  59516140478 673 1    77 672 1      C-13-H3C(O)CH3
  795025.0176  0.0315 -4.8137 3 1079.1558C56  59516140478 673 2    77 672 2      C-13-H3C(O)CH3
  795025.0176  0.0315 -4.8137 3 1079.1558C56  59516140478 573 2    77 572 2      C-13-H3C(O)CH3
  795025.2691  0.0318 -4.8219 3 1079.1560C56 -59516140478 573 1    77 672 1      C-13-H3C(O)CH3
  795025.2691  0.0315 -4.2032 3 1079.1558C56 -59516140478 673 2    77 572 2      C-13-H3C(O)CH3
  795025.2691  0.0315 -4.2032 3 1079.1558C56 -59516140478 573 2    77 672 2      C-13-H3C(O)CH3
  795025.2691  0.0318 -4.8219 3 1079.1560C56 -59516140478 673 1    77 572 1      C-13-H3C(O)CH3
  795031.7224  0.0189 -4.1884 3 1079.1878C56 -59516140478 673 0    77 672 0      C-13-H3C(O)CH3
  795031.7224  0.0189 -4.1884 3 1079.1878C56 -59516140478 573 0    77 572 0      C-13-H3C(O)CH3
  795033.5363  0.0189 -4.8804 3 1079.1878C56  59516140478 673 0    77 572 0      C-13-H3C(O)CH3
  795033.5363  0.0189 -4.8804 3 1079.1878C56  59516140478 573 0    77 672 0      C-13-H3C(O)CH3
  795037.1251  0.0106 -6.1358 3  179.7572220  595161404271612 4    261115 4      C-13-H3C(O)CH3
  795042.1137  0.0086 -6.1358 3  179.7572220  595161404271612 3    261115 3      C-13-H3C(O)CH3
  795064.6056  0.0199 -4.1632 3  827.7831904  595161404563027 1    552926 1      C-13-H3C(O)CH3
  795075.8025  0.0211 -4.1632 3  827.7829904  595161404563027 2    552926 2      C-13-H3C(O)CH3
  795143.3754  0.0224 -4.4644 3  827.7840452  595161404563027 4    552926 4      C-13-H3C(O)CH3
  795143.4613  0.0224 -4.4644 3  827.7840452  595161404563027 3    552926 3      C-13-H3C(O)CH3
  795189.6571  0.0085 -5.8347 3  179.7602440  595161404271612 2    261115 2      C-13-H3C(O)CH3
  795253.5585  0.0065 -4.3611 3  296.5000284  595161404351520 4    341421 4      C-13-H3C(O)CH3
  795253.8466  0.0061 -4.3611 3  296.5000284  595161404351520 3    341421 3      C-13-H3C(O)CH3
  795253.8760  0.0065 -4.3611 3  296.5000284  595161404351620 4    341321 4      C-13-H3C(O)CH3
  795254.1657  0.0061 -4.3611 3  296.5000284  595161404351620 3    341321 3      C-13-H3C(O)CH3
  795258.3049  0.0084 -5.8342 3  179.7629440  595161404271612 1    261115 1      C-13-H3C(O)CH3
  795268.1122  0.0241 -4.6415 3 1039.9256B44  595161404711358 0    701357 0      C-13-H3C(O)CH3
  795268.1122  0.0241 -4.3058 3 1039.9256B44  595161404711358 0    701457 0      C-13-H3C(O)CH3
  795268.1122  0.0241 -4.6415 3 1039.9256B44  595161404711458 0    701457 0      C-13-H3C(O)CH3
  795268.1122  0.0241 -4.3058 3 1039.9256B44  595161404711458 0    701357 0      C-13-H3C(O)CH3
  795303.1931  0.0320 -4.4099 3 1039.9153B44  595161404711358 1    701357 1      C-13-H3C(O)CH3
  795303.1931  0.0320 -4.4766 3 1039.9153B44  595161404711358 1    701457 1      C-13-H3C(O)CH3
  795303.1931  0.0320 -4.4099 3 1039.9153B44  595161404711458 1    701457 1      C-13-H3C(O)CH3
  795303.1931  0.0320 -4.4766 3 1039.9153B44  595161404711458 1    701357 1      C-13-H3C(O)CH3
  795303.2682  0.0313 -4.2161 3 1039.9151B44  595161404711458 2    701357 2      C-13-H3C(O)CH3
  795303.2682  0.0313 -4.9397 3 1039.9151B44  595161404711358 2    701357 2      C-13-H3C(O)CH3
  795303.2682  0.0313 -4.8082 3 1039.9151B44  595161404711458 2    701457 2      C-13-H3C(O)CH3
  795303.2682  0.0313 -4.2461 3 1039.9151B44  595161404711358 2    701457 2      C-13-H3C(O)CH3
  795317.0680  0.0058 -4.0601 3  296.5221568  595161404351520 2    341421 2      C-13-H3C(O)CH3
  795317.3836  0.0058 -4.0601 3  296.5221568  595161404351620 2    341321 2      C-13-H3C(O)CH3
  795336.1573  0.0058 -4.0601 3  296.5243568  595161404351520 1    341421 1      C-13-H3C(O)CH3
  795336.4577  0.0058 -4.0601 3  296.5243568  595161404351620 1    341321 1      C-13-H3C(O)CH3
  795338.3814  0.0306 -5.2915 3 1039.9048572  595161404711458 3    701457 3      C-13-H3C(O)CH3
  795338.3814  0.0306 -4.5081 3 1039.9048572  595161404711458 3    701357 3      C-13-H3C(O)CH3
  795338.3814  0.0306 -5.2915 3 1039.9048572  595161404711358 3    701357 3      C-13-H3C(O)CH3
  795338.3814  0.0306 -4.5081 3 1039.9048572  595161404711358 3    701457 3      C-13-H3C(O)CH3
  795338.4333  0.0307 -5.5557 3 1039.9048572  595161404711458 4    701357 4      C-13-H3C(O)CH3
  795338.4333  0.0307 -4.4767 3 1039.9048572  595161404711458 4    701457 4      C-13-H3C(O)CH3
  795338.4333  0.0307 -5.5557 3 1039.9048572  595161404711358 4    701457 4      C-13-H3C(O)CH3
  795338.4333  0.0307 -4.4767 3 1039.9048572  595161404711358 4    701357 4      C-13-H3C(O)CH3
  795399.3114  0.0054 -4.0601 3  296.5463568  595161404351520 0    341421 0      C-13-H3C(O)CH3
  795399.6087  0.0054 -4.0601 3  296.5463568  595161404351620 0    341321 0      C-13-H3C(O)CH3
  795407.3787  0.0086 -5.8338 3  179.7659440  595161404271612 0    261115 0      C-13-H3C(O)CH3
  795443.8917  0.0077 -4.6508 3  204.0432520  59516140432 825 0    31 526 0      C-13-H3C(O)CH3
  795443.8917  0.0077 -5.1171 3  204.0432520  59516140432 825 0    31 626 0      C-13-H3C(O)CH3
  795443.8917  0.0077 -4.7154 3  204.0432520  59516140432 725 0    31 526 0      C-13-H3C(O)CH3
  795443.8917  0.0077 -4.9697 3  204.0432520  59516140432 725 0    31 626 0      C-13-H3C(O)CH3
  795504.3069  0.0158 -5.3771 3  170.0325252  59516140431 427 3    30 228 3      C-13-H3C(O)CH3
  795504.3069  0.0158 -5.9043 3  170.0325252  59516140431 527 3    30 328 3      C-13-H3C(O)CH3
  795504.3069  0.0158 -5.4035 3  170.0325252  59516140431 527 3    30 228 3      C-13-H3C(O)CH3
  795504.3069  0.0158 -6.0006 3  170.0325252  59516140431 427 3    30 328 3      C-13-H3C(O)CH3
  795504.4977  0.0177 -5.2975 3  170.0326252  59516140431 527 4    30 228 4      C-13-H3C(O)CH3
  795504.4977  0.0177 -5.2975 3  170.0326252  59516140431 427 4    30 328 4      C-13-H3C(O)CH3
  795674.4418  0.0314 -4.9819 3  950.6085A16  595161404632341 0    622340 0      C-13-H3C(O)CH3
  795674.4418  0.0314 -4.9819 3  950.6085A16  595161404632241 0    622240 0      C-13-H3C(O)CH3
  795674.4418  0.0314 -4.2033 3  950.6085A16  595161404632241 0    622340 0      C-13-H3C(O)CH3
  795674.4418  0.0314 -4.2033 3  950.6085A16  595161404632341 0    622240 0      C-13-H3C(O)CH3
  795715.0777  0.0321 -5.3009 3  950.6145A16  595161404632241 1    622240 1      C-13-H3C(O)CH3
  795715.0777  0.0321 -4.1672 3  950.6145A16  595161404632241 1    622340 1      C-13-H3C(O)CH3
  795715.0777  0.0321 -5.3009 3  950.6145A16  595161404632341 1    622340 1      C-13-H3C(O)CH3
  795715.0777  0.0321 -4.1672 3  950.6145A16  595161404632341 1    622240 1      C-13-H3C(O)CH3
  795716.7395  0.0330 -4.1852 3  950.6149A16  595161404632341 2    622240 2      C-13-H3C(O)CH3
  795716.7395  0.0330 -4.1852 3  950.6149A16  595161404632241 2    622340 2      C-13-H3C(O)CH3
  795716.7395  0.0330 -5.1104 3  950.6149A16  595161404632241 2    622240 2      C-13-H3C(O)CH3
  795716.7395  0.0330 -5.1104 3  950.6149A16  595161404632341 2    622340 2      C-13-H3C(O)CH3
  795757.4230  0.0339 -4.4383 3  950.6210508  595161404632241 3    622240 3      C-13-H3C(O)CH3
  795757.4230  0.0339 -4.7734 3  950.6210508  595161404632341 3    622240 3      C-13-H3C(O)CH3
  795757.4230  0.0339 -4.7062 3  950.6210508  595161404632341 3    622340 3      C-13-H3C(O)CH3
  795757.5027  0.0339 -4.4649 3  950.6210508  595161404632341 4    622240 4      C-13-H3C(O)CH3
  795757.5027  0.0339 -5.6508 3  950.6210508  595161404632341 4    622340 4      C-13-H3C(O)CH3
  795757.5027  0.0339 -4.4649 3  950.6210508  595161404632241 4    622340 4      C-13-H3C(O)CH3
  795757.5027  0.0339 -5.6508 3  950.6210508  595161404632241 4    622240 4      C-13-H3C(O)CH3
  796118.7838  0.0290 -4.2051 3  807.3416888  595161404553025 0    543124 0      C-13-H3C(O)CH3
  796122.8684  0.0285 -4.2057 3  807.3409888  595161404553025 1    543124 1      C-13-H3C(O)CH3
  796137.1909  0.0378 -4.2057 3  807.3399888  595161404553025 2    543124 2      C-13-H3C(O)CH3
  796137.7758  0.0366 -4.5073 3  807.3392444  595161404553025 3    543124 3      C-13-H3C(O)CH3
  796140.8864  0.0360 -4.5073 3  807.3391444  595161404553025 4    543124 4      C-13-H3C(O)CH3
  796160.1414  0.0180 -5.0023 3  169.9912504  59516140431 427 2    30 228 2      C-13-H3C(O)CH3
  796160.1414  0.0180 -5.0023 3  169.9912504  59516140431 527 2    30 328 2      C-13-H3C(O)CH3
  796163.4027  0.0190 -5.7664 3  169.9916504  59516140431 427 1    30 328 1      C-13-H3C(O)CH3
  796163.4027  0.0190 -5.0604 3  169.9916504  59516140431 427 1    30 228 1      C-13-H3C(O)CH3
  796163.4027  0.0190 -5.0604 3  169.9916504  59516140431 527 1    30 328 1      C-13-H3C(O)CH3
  796163.4027  0.0190 -5.7664 3  169.9916504  59516140431 527 1    30 228 1      C-13-H3C(O)CH3
  796170.0858  0.4530 -6.0413 3 1273.2400548  595161404684326 4    674423 4      C-13-H3C(O)CH3
  796193.1800  0.3675 -6.0450 3 1273.2400548  595161404684326 3    674423 3      C-13-H3C(O)CH3
  796211.7302  0.0140 -4.7430 3 1084.9042636  59516140479 475 4    78 474 4      C-13-H3C(O)CH3
  796211.7302  0.0140 -4.6746 3 1084.9042636  59516140479 475 4    78 574 4      C-13-H3C(O)CH3
  796211.7302  0.0140 -4.6746 3 1084.9042636  59516140479 575 4    78 474 4      C-13-H3C(O)CH3
  796211.7302  0.0140 -4.7430 3 1084.9042636  59516140479 575 4    78 574 4      C-13-H3C(O)CH3
  796211.7728  0.0140 -4.6464 3 1084.9042636  59516140479 575 3    78 474 3      C-13-H3C(O)CH3
  796211.7728  0.0140 -4.7784 3 1084.9042636  59516140479 475 3    78 474 3      C-13-H3C(O)CH3
  796211.7728  0.0140 -4.6464 3 1084.9042636  59516140479 475 3    78 574 3      C-13-H3C(O)CH3
  796211.7728  0.0140 -4.7784 3 1084.9042636  59516140479 575 3    78 574 3      C-13-H3C(O)CH3
  796220.6704  0.0449 -4.1956 3  780.7826872  595161404543124 0    533023 0      C-13-H3C(O)CH3
  796227.8242  0.0228 -4.1475 3 1084.9326C72  59516140479 475 1    78 574 1      C-13-H3C(O)CH3
  796227.8242  0.0228 -5.1404 3 1084.9326C72  59516140479 575 1    78 574 1      C-13-H3C(O)CH3
  796227.9771  0.0229 -5.4944 3 1084.9324C72  59516140479 575 2    78 574 2      C-13-H3C(O)CH3
  796227.9771  0.0229 -5.4944 3 1084.9324C72  59516140479 475 2    78 474 2      C-13-H3C(O)CH3
  796228.1215  0.0228 -4.1475 3 1084.9326C72 -59516140479 575 1    78 474 1      C-13-H3C(O)CH3
  796228.1215  0.0229 -4.1235 3 1084.9324C72 -59516140479 575 2    78 474 2      C-13-H3C(O)CH3
  796228.1215  0.0228 -5.1404 3 1084.9326C72 -59516140479 475 1    78 474 1      C-13-H3C(O)CH3
  796228.1215  0.0229 -4.1235 3 1084.9324C72 -59516140479 475 2    78 574 2      C-13-H3C(O)CH3
  796242.5794  0.0146 -4.2262 3 1084.9607C72 -59516140479 575 0    78 474 0      C-13-H3C(O)CH3
  796242.5794  0.0146 -4.7203 3 1084.9607C72 -59516140479 475 0    78 474 0      C-13-H3C(O)CH3
  796244.0279  0.0146 -4.7203 3 1084.9607C72  59516140479 575 0    78 574 0      C-13-H3C(O)CH3
  796244.0279  0.0146 -4.2262 3 1084.9607C72  59516140479 475 0    78 574 0      C-13-H3C(O)CH3
  796354.3755  0.0050 -3.2640 3  515.8159664  5951614044137 5 0    4036 5 0      C-13-H3C(O)CH3
  796354.3755  0.0050 -3.2640 3  515.8159664  5951614044137 4 0    4036 4 0      C-13-H3C(O)CH3
  796385.6491  0.0233 -4.2397 3 1050.0271B60  595161404721360 0    711359 0      C-13-H3C(O)CH3
  796385.6491  0.0233 -4.2397 3 1050.0271B60  595161404721260 0    711259 0      C-13-H3C(O)CH3
  796385.6491  0.0233 -4.8470 3 1050.0271B60  595161404721360 0    711259 0      C-13-H3C(O)CH3
  796385.6491  0.0233 -4.8470 3 1050.0271B60  595161404721260 0    711359 0      C-13-H3C(O)CH3
  796418.3479  0.0332 -4.3928 3 1050.0134B60  595161404721260 2    711259 2      C-13-H3C(O)CH3
  796418.3479  0.0332 -4.5039 3 1050.0134B60  595161404721260 2    711359 2      C-13-H3C(O)CH3
  796418.3479  0.0332 -4.3928 3 1050.0134B60  595161404721360 2    711359 2      C-13-H3C(O)CH3
  796418.3479  0.0332 -4.5039 3 1050.0134B60  595161404721360 2    711259 2      C-13-H3C(O)CH3
  796418.3495  0.0342 -4.7646 3 1050.0136B60  595161404721260 1    711259 1      C-13-H3C(O)CH3
  796418.3495  0.0342 -4.2626 3 1050.0136B60  595161404721260 1    711359 1      C-13-H3C(O)CH3
  796418.3495  0.0342 -4.2626 3 1050.0136B60  595161404721360 1    711259 1      C-13-H3C(O)CH3
  796418.3495  0.0342 -4.7646 3 1050.0136B60  595161404721360 1    711359 1      C-13-H3C(O)CH3
  796440.0130  0.0052 -3.2639 3  515.7796664 -5951614044137 5 2    4036 5 2      C-13-H3C(O)CH3
  796443.6765  0.0127 -3.9844 3  376.4635616  595161404382117 2    372018 2      C-13-H3C(O)CH3
  796451.0775  0.0298 -4.4565 3 1049.9998580  595161404721260 3    711259 3      C-13-H3C(O)CH3
  796451.0775  0.0298 -6.0192 3 1049.9998580  595161404721260 3    711359 3      C-13-H3C(O)CH3
  796451.0775  0.0298 -6.0192 3 1049.9998580  595161404721360 3    711259 3      C-13-H3C(O)CH3
  796451.0775  0.0298 -4.4565 3 1049.9998580  595161404721360 3    711359 3      C-13-H3C(O)CH3
  796451.1220  0.0298 -5.8176 3 1049.9998580  595161404721260 4    711259 4      C-13-H3C(O)CH3
  796451.1220  0.0298 -4.4635 3 1049.9998580  595161404721260 4    711359 4      C-13-H3C(O)CH3
  796451.1220  0.0298 -4.4635 3 1049.9998580  595161404721360 4    711259 4      C-13-H3C(O)CH3
  796451.1220  0.0298 -5.8176 3 1049.9998580  595161404721360 4    711359 4      C-13-H3C(O)CH3
  796468.5263  0.3719 -5.7421 3 1273.2042A96  595161404684326 1    674423 1      C-13-H3C(O)CH3
  796485.3675  0.0145 -4.2851 3  376.4397308  595161404382117 3    372018 3      C-13-H3C(O)CH3
  796485.6488  0.3800 -5.7385 3 1273.1975A96  595161404684326 2    674423 2      C-13-H3C(O)CH3
  796489.4514  0.0139 -4.2851 3  376.4397308  595161404382117 4    372018 4      C-13-H3C(O)CH3
  796491.1953  0.0374 -4.1959 3  780.7728872  595161404543124 1    533023 1      C-13-H3C(O)CH3
  796493.0148  0.0055 -3.2639 3  515.8102664 -5951614044137 4 2    4036 4 2      C-13-H3C(O)CH3
  796512.0306  0.0053 -3.2638 3  515.7726664 -5951614044137 5 1    4036 5 1      C-13-H3C(O)CH3
  796532.1015  0.0088 -3.9846 3  376.4921616  595161404382117 0    372018 0      C-13-H3C(O)CH3
  796540.2501  0.0323 -4.1860 3  965.7074A32  595161404642243 0    632242 0      C-13-H3C(O)CH3
  796540.2501  0.0323 -5.1476 3  965.7074A32  595161404642243 0    632142 0      C-13-H3C(O)CH3
  796540.2501  0.0323 -5.1476 3  965.7074A32  595161404642143 0    632242 0      C-13-H3C(O)CH3
  796540.2501  0.0323 -4.1860 3  965.7074A32  595161404642143 0    632142 0      C-13-H3C(O)CH3
  796548.2853  0.0512 -4.1960 3  780.7699872  595161404543124 2    533023 2      C-13-H3C(O)CH3
  796551.7096  0.0054 -3.2638 3  515.8248664 -5951614044137 4 1    4036 4 1      C-13-H3C(O)CH3
  796574.1736  0.0099 -3.9843 3  376.4683616  595161404382117 1    372018 1      C-13-H3C(O)CH3
  796580.4681  0.0330 -4.1412 3  965.7129A32  595161404642243 1    632242 1      C-13-H3C(O)CH3
  796580.4681  0.0330 -4.1412 3  965.7129A32  595161404642143 1    632142 1      C-13-H3C(O)CH3
  796581.8807  0.0337 -5.3084 3  965.7132A32  595161404642143 2    632242 2      C-13-H3C(O)CH3
  796581.8807  0.0337 -4.1715 3  965.7132A32  595161404642243 2    632242 2      C-13-H3C(O)CH3
  796581.8807  0.0337 -4.1715 3  965.7132A32  595161404642143 2    632142 2      C-13-H3C(O)CH3
  796581.8807  0.0337 -5.3084 3  965.7132A32  595161404642243 2    632142 2      C-13-H3C(O)CH3
  796597.8360  0.0078 -3.5647 3  515.7363332  5951614044137 5 4    4036 5 4      C-13-H3C(O)CH3
  796622.1447  0.0347 -4.4765 3  965.7187516  595161404642243 3    632142 3      C-13-H3C(O)CH3
  796622.1447  0.0347 -5.5584 3  965.7187516  595161404642243 3    632242 3      C-13-H3C(O)CH3
  796622.1447  0.0347 -4.4765 3  965.7187516  595161404642143 3    632242 3      C-13-H3C(O)CH3
  796622.1447  0.0347 -5.5584 3  965.7187516  595161404642143 3    632142 3      C-13-H3C(O)CH3
  796622.2223  0.0347 -4.4725 3  965.7187516  595161404642143 4    632242 4      C-13-H3C(O)CH3
  796622.2223  0.0347 -5.6101 3  965.7187516  595161404642243 4    632242 4      C-13-H3C(O)CH3
  796622.2223  0.0347 -4.5589 3  965.7187516  595161404642143 4    632142 4      C-13-H3C(O)CH3
  796622.2223  0.0347 -5.0689 3  965.7187516  595161404642243 4    632142 4      C-13-H3C(O)CH3
  796636.7455  0.0074 -3.5647 3  515.7886332  5951614044137 4 3    4036 4 3      C-13-H3C(O)CH3
  796650.1147  0.0077 -3.5647 3  515.7669332  5951614044137 5 3    4036 5 3      C-13-H3C(O)CH3
  796689.4995  0.0076 -3.5647 3  515.8190332  5951614044137 4 4    4036 4 4      C-13-H3C(O)CH3
  796773.5233  0.3509 -5.7384 3 1273.1618A96  595161404684326 0    674423 0      C-13-H3C(O)CH3
  796817.7740  0.0170 -4.9814 3  169.9504504  59516140431 427 0    30 228 0      C-13-H3C(O)CH3
  796817.7740  0.0170 -4.9814 3  169.9504504  59516140431 527 0    30 328 0      C-13-H3C(O)CH3
  796820.2704  0.0405 -4.4973 3  780.7601436  595161404543124 4    533023 4      C-13-H3C(O)CH3
  796826.2365  0.0410 -4.4973 3  780.7600436  595161404543124 3    533023 3      C-13-H3C(O)CH3
  796862.3310  0.0163 -4.1274 3  384.3028616  595161404382415 0    372116 0      C-13-H3C(O)CH3
  796897.5164  0.0166 -4.1268 3  384.2820616  595161404382415 1    372116 1      C-13-H3C(O)CH3
  797235.0794  0.0174 -4.1293 3  384.2691616  595161404382415 2    372116 2      C-13-H3C(O)CH3
  797250.5142  0.0164 -4.4298 3  384.2484308  595161404382415 4    372116 4      C-13-H3C(O)CH3
  797278.3604  0.0192 -4.4295 3  384.2482308  595161404382415 3    372116 3      C-13-H3C(O)CH3
  797418.9083  0.0104 -5.1808 3 1090.1570644  59516140480 477 4    79 476 4      C-13-H3C(O)CH3
  797418.9083  0.0104 -4.4824 3 1090.1570644  59516140480 377 4    79 476 4      C-13-H3C(O)CH3
  797418.9386  0.0104 -4.6574 3 1090.1569644  59516140480 477 3    79 376 3      C-13-H3C(O)CH3
  797418.9386  0.0104 -4.7566 3 1090.1569644  59516140480 377 3    79 376 3      C-13-H3C(O)CH3
  797418.9496  0.0104 -4.4824 3 1090.1570644 -59516140480 477 4    79 376 4      C-13-H3C(O)CH3
  797418.9496  0.0104 -5.1808 3 1090.1570644 -59516140480 377 4    79 376 4      C-13-H3C(O)CH3
  797418.9496  0.0104 -4.6574 3 1090.1569644 -59516140480 377 3    79 476 3      C-13-H3C(O)CH3
  797418.9496  0.0104 -4.7566 3 1090.1569644 -59516140480 477 3    79 476 3      C-13-H3C(O)CH3
  797440.8715  0.0137 -4.8265 3 1090.1769C88  59516140480 477 1    79 376 1      C-13-H3C(O)CH3
  797440.8715  0.0137 -4.8265 3 1090.1769C88  59516140480 377 1    79 476 1      C-13-H3C(O)CH3
  797440.9080  0.0147 -4.6853 3 1090.1766C88  59516140480 377 2    79 476 2      C-13-H3C(O)CH3
  797440.9080  0.0147 -4.2336 3 1090.1766C88  59516140480 477 2    79 476 2      C-13-H3C(O)CH3
  797440.9440  0.0137 -4.1929 3 1090.1769C88 -59516140480 477 1    79 476 1      C-13-H3C(O)CH3
  797440.9440  0.0147 -4.6853 3 1090.1766C88 -59516140480 477 2    79 376 2      C-13-H3C(O)CH3
  797440.9440  0.0147 -4.2336 3 1090.1766C88 -59516140480 377 2    79 376 2      C-13-H3C(O)CH3
  797440.9440  0.0137 -4.1929 3 1090.1769C88 -59516140480 377 1    79 376 1      C-13-H3C(O)CH3
  797461.7041  0.0329 -4.5731 3  980.2381A48  595161404652145 0    642044 0      C-13-H3C(O)CH3
  797461.7041  0.0329 -4.3492 3  980.2381A48  595161404652145 0    642144 0      C-13-H3C(O)CH3
  797461.7041  0.0329 -4.3173 3  980.2381A48  595161404652045 0    642044 0      C-13-H3C(O)CH3
  797461.7041  0.0329 -4.6324 3  980.2381A48  595161404652045 0    642144 0      C-13-H3C(O)CH3
  797462.8277  0.0102 -4.2252 3 1090.1965C88  59516140480 477 0    79 476 0      C-13-H3C(O)CH3
  797462.8277  0.0102 -4.7100 3 1090.1965C88  59516140480 377 0    79 476 0      C-13-H3C(O)CH3
  797462.8277  0.0102 -4.2252 3 1090.1965C88  59516140480 377 0    79 376 0      C-13-H3C(O)CH3
  797462.8277  0.0102 -4.7100 3 1090.1965C88  59516140480 477 0    79 376 0      C-13-H3C(O)CH3
  797501.6430  0.0336 -5.3442 3  980.2428A48  595161404652145 1    642044 1      C-13-H3C(O)CH3
  797501.6430  0.0336 -4.1743 3  980.2428A48  595161404652145 1    642144 1      C-13-H3C(O)CH3
  797501.6430  0.0336 -5.3442 3  980.2428A48  595161404652045 1    642144 1      C-13-H3C(O)CH3
  797501.6430  0.0336 -4.1743 3  980.2428A48  595161404652045 1    642044 1      C-13-H3C(O)CH3
  797502.8388  0.0341 -4.6420 3  980.2431A48  595161404652045 2    642144 2      C-13-H3C(O)CH3
  797502.8388  0.0341 -4.3127 3  980.2431A48  595161404652145 2    642144 2      C-13-H3C(O)CH3
  797502.8388  0.0341 -4.6420 3  980.2431A48  595161404652145 2    642044 2      C-13-H3C(O)CH3
  797502.8388  0.0341 -4.3127 3  980.2431A48  595161404652045 2    642044 2      C-13-H3C(O)CH3
  797517.0838  0.0231 -5.2629 3 1059.5898B76  595161404731262 0    721161 0      C-13-H3C(O)CH3
  797517.0838  0.0231 -4.1807 3 1059.5898B76  595161404731262 0    721261 0      C-13-H3C(O)CH3
  797517.0838  0.0231 -4.1807 3 1059.5898B76  595161404731162 0    721161 0      C-13-H3C(O)CH3
  797517.0838  0.0231 -5.2629 3 1059.5898B76  595161404731162 0    721261 0      C-13-H3C(O)CH3
  797542.8224  0.0353 -4.9610 3  980.2478524  595161404652045 3    642144 3      C-13-H3C(O)CH3
  797542.8224  0.0353 -4.6056 3  980.2478524  595161404652145 3    642144 3      C-13-H3C(O)CH3
  797542.8224  0.0353 -4.6056 3  980.2478524  595161404652045 3    642044 3      C-13-H3C(O)CH3
  797542.8224  0.0353 -4.9610 3  980.2478524  595161404652145 3    642044 3      C-13-H3C(O)CH3
  797542.8981  0.0353 -5.3474 3  980.2478524  595161404652045 4    642044 4      C-13-H3C(O)CH3
  797542.8981  0.0353 -4.5052 3  980.2478524  595161404652045 4    642144 4      C-13-H3C(O)CH3
  797542.8981  0.0353 -4.5052 3  980.2478524  595161404652145 4    642044 4      C-13-H3C(O)CH3
  797542.8981  0.0353 -5.3474 3  980.2478524  595161404652145 4    642144 4      C-13-H3C(O)CH3
  797546.6236  0.0359 -4.1606 3 1059.5726B76  595161404731162 2    721161 2      C-13-H3C(O)CH3
  797546.6236  0.0359 -5.6304 3 1059.5726B76  595161404731262 2    721161 2      C-13-H3C(O)CH3
  797546.6236  0.0359 -4.1606 3 1059.5726B76  595161404731262 2    721261 2      C-13-H3C(O)CH3
  797546.6236  0.0359 -5.6304 3 1059.5726B76  595161404731162 2    721261 2      C-13-H3C(O)CH3
  797546.6659  0.0372 -5.0295 3 1059.5727B76  595161404731262 1    721161 1      C-13-H3C(O)CH3
  797546.6659  0.0372 -4.2070 3 1059.5727B76  595161404731262 1    721261 1      C-13-H3C(O)CH3
  797546.6659  0.0372 -4.2070 3 1059.5727B76  595161404731162 1    721161 1      C-13-H3C(O)CH3
  797546.6659  0.0372 -5.0295 3 1059.5727B76  595161404731162 1    721261 1      C-13-H3C(O)CH3
  797576.2314  0.0289 -4.6262 3 1059.5555588  595161404731162 3    721261 3      C-13-H3C(O)CH3
  797576.2314  0.0289 -4.9181 3 1059.5555588  595161404731162 3    721161 3      C-13-H3C(O)CH3
  797576.2314  0.0289 -4.6262 3 1059.5555588  595161404731262 3    721161 3      C-13-H3C(O)CH3
  797576.2314  0.0289 -4.9181 3 1059.5555588  595161404731262 3    721261 3      C-13-H3C(O)CH3
  797576.2670  0.0289 -4.4499 3 1059.5554588  595161404731162 4    721261 4      C-13-H3C(O)CH3
  797576.2670  0.0289 -4.4499 3 1059.5554588  595161404731262 4    721161 4      C-13-H3C(O)CH3
  797657.4898  0.0673 -4.1958 3  754.4341856  595161404533123 0    523022 0      C-13-H3C(O)CH3
  797744.3628  0.0126 -4.9833 3  266.1504520  595161404322012 2    311715 2      C-13-H3C(O)CH3
  797803.7898  0.0113 -4.9845 3  266.1729520  595161404322012 0    311715 0      C-13-H3C(O)CH3
  797861.9602  0.0195 -5.4674 3  276.1987260  595161404322310 3    312012 3      C-13-H3C(O)CH3
  797863.0370  0.0222 -5.4676 3  276.1986260  595161404322310 4    312012 4      C-13-H3C(O)CH3
  797868.5874  0.0138 -5.1678 3  276.2192520  595161404322310 1    312012 1      C-13-H3C(O)CH3
  797883.6678  0.0150 -5.2860 3  266.1330260  595161404322012 4    311715 4      C-13-H3C(O)CH3
  797905.3291  0.0157 -5.2863 3  266.1330260  595161404322012 3    311715 3      C-13-H3C(O)CH3
  797953.1151  0.0125 -4.9863 3  266.1556520  595161404322012 1    311715 1      C-13-H3C(O)CH3
  797990.9149  0.0048 -3.3332 3  521.2926680 -5951614044235 7 0    4134 8 0      C-13-H3C(O)CH3
  797990.9149  0.0048 -3.3332 3  521.2926680 -5951614044235 8 0    4134 7 0      C-13-H3C(O)CH3
  798076.4663  0.0053 -3.3332 3  521.2756680 -5951614044235 8 2    4134 8 2      C-13-H3C(O)CH3
  798086.7204  0.0054 -3.3332 3  521.2960680 -5951614044235 7 2    4134 7 2      C-13-H3C(O)CH3
  798089.6034  0.0556 -4.1960 3  754.4178856  595161404533123 1    523022 1      C-13-H3C(O)CH3
  798106.1811  0.0053 -3.3331 3  521.2582680 -5951614044235 8 1    4134 8 1      C-13-H3C(O)CH3
  798151.9915  0.0055 -3.3330 3  521.2940680 -5951614044235 7 1    4134 7 1      C-13-H3C(O)CH3
  798192.4812  0.0073 -3.6341 3  521.2411340  5951614044235 8 4    4134 8 4      C-13-H3C(O)CH3
  798202.1339  0.0073 -3.6341 3  521.2617340  5951614044235 8 3    4134 8 3      C-13-H3C(O)CH3
  798205.1560  0.0860 -4.1961 3  754.4125856  595161404533123 2    523022 2      C-13-H3C(O)CH3
  798237.7426  0.0073 -3.6340 3  521.2771340  5951614044235 7 3    4134 7 3      C-13-H3C(O)CH3
  798247.2569  0.0077 -3.6341 3  521.2974340  5951614044235 7 4    4134 7 4      C-13-H3C(O)CH3
  798261.6636  0.0205 -5.3143 3  276.1987260  5951614043223 9 3    312012 3      C-13-H3C(O)CH3
  798265.0563  0.0193 -5.3139 3  276.1986260  5951614043223 9 4    312012 4      C-13-H3C(O)CH3
  798267.1363  0.0128 -5.0127 3  276.2192520  5951614043223 9 1    312012 1      C-13-H3C(O)CH3
  798326.2094  0.0073 -5.5817 3  549.9084728  595161404452917 1    442817 1      C-13-H3C(O)CH3
  798359.5406  0.0075 -5.2046 3  549.9088728  595161404452917 2    442817 2      C-13-H3C(O)CH3
  798395.5514  0.0098 -5.0981 3  549.8965364  595161404452917 4    442817 4      C-13-H3C(O)CH3
  798426.5835  0.0330 -4.2284 3  994.2071A64  595161404661947 0    651946 0      C-13-H3C(O)CH3
  798426.5835  0.0330 -4.9380 3  994.2071A64  595161404661947 0    652046 0      C-13-H3C(O)CH3
  798426.5835  0.0330 -4.2284 3  994.2071A64  595161404662047 0    652046 0      C-13-H3C(O)CH3
  798426.5835  0.0330 -4.9380 3  994.2071A64  595161404662047 0    651946 0      C-13-H3C(O)CH3
  798455.4956  0.0096 -4.7843 3  276.2186520  5951614043223 9 2    312012 2      C-13-H3C(O)CH3
  798457.5314  0.0099 -4.7845 3  276.2390520  5951614043223 9 0    312012 0      C-13-H3C(O)CH3
  798466.3133  0.0337 -4.4913 3  994.2107A64  595161404661947 1    651946 1      C-13-H3C(O)CH3
  798466.3133  0.0337 -4.4160 3  994.2107A64  595161404661947 1    652046 1      C-13-H3C(O)CH3
  798466.3133  0.0337 -4.4160 3  994.2107A64  595161404662047 1    651946 1      C-13-H3C(O)CH3
  798466.3133  0.0337 -4.4913 3  994.2107A64  595161404662047 1    652046 1      C-13-H3C(O)CH3
  798467.3109  0.0342 -4.3625 3  994.2109A64  595161404661947 2    651946 2      C-13-H3C(O)CH3
  798467.3109  0.0342 -4.5648 3  994.2109A64  595161404661947 2    652046 2      C-13-H3C(O)CH3
  798467.3109  0.0342 -4.3625 3  994.2109A64  595161404662047 2    652046 2      C-13-H3C(O)CH3
  798467.3109  0.0342 -4.5648 3  994.2109A64  595161404662047 2    651946 2      C-13-H3C(O)CH3
  798491.0281  0.0376 -5.9642 3  537.9829712  595161404443114 1    433013 1      C-13-H3C(O)CH3
  798507.0840  0.0356 -5.4165 3  994.2146532  595161404661947 3    652046 3      C-13-H3C(O)CH3
  798507.0840  0.0356 -4.5019 3  994.2146532  595161404662047 3    652046 3      C-13-H3C(O)CH3
  798507.0840  0.0356 -5.4165 3  994.2146532  595161404662047 3    651946 3      C-13-H3C(O)CH3
  798507.0840  0.0356 -4.5019 3  994.2146532  595161404661947 3    651946 3      C-13-H3C(O)CH3
  798507.1577  0.0356 -4.8105 3  994.2146532  595161404662047 4    651946 4      C-13-H3C(O)CH3
  798507.1577  0.0356 -4.7611 3  994.2146532  595161404661947 4    652046 4      C-13-H3C(O)CH3
  798507.1577  0.0356 -4.7451 3  994.2146532  595161404661947 4    651946 4      C-13-H3C(O)CH3
  798507.1577  0.0356 -4.7023 3  994.2146532  595161404662047 4    652046 4      C-13-H3C(O)CH3
  798635.8009  0.0726 -4.4973 3  754.3961428  595161404533123 4    523022 4      C-13-H3C(O)CH3
  798639.3348  0.0081 -5.0189 3 1094.8846652  59516140481 279 4    80 378 4      C-13-H3C(O)CH3
  798639.3348  0.0081 -4.5183 3 1094.8846652  59516140481 279 4    80 278 4      C-13-H3C(O)CH3
  798639.3348  0.0081 -4.5183 3 1094.8846652  59516140481 379 4    80 378 4      C-13-H3C(O)CH3
  798639.3348  0.0081 -5.0189 3 1094.8846652  59516140481 379 4    80 278 4      C-13-H3C(O)CH3
  798639.3391  0.0082 -4.4819 3 1094.8845652  59516140481 379 3    80 378 3      C-13-H3C(O)CH3
  798639.3391  0.0082 -5.1596 3 1094.8845652  59516140481 379 3    80 278 3      C-13-H3C(O)CH3
  798639.3391  0.0082 -5.1596 3 1094.8845652  59516140481 279 3    80 378 3      C-13-H3C(O)CH3
  798639.3391  0.0082 -4.4819 3 1094.8845652  59516140481 279 3    80 278 3      C-13-H3C(O)CH3
  798640.3175  0.0536 -4.0675 3  648.2344792  595161404493020 0    482919 0      C-13-H3C(O)CH3
  798648.5050  0.0733 -4.4972 3  754.3959428  595161404533123 3    523022 3      C-13-H3C(O)CH3
  798661.7058  0.0236 -4.3145 3 1068.6149B92  595161404741064 0    731163 0      C-13-H3C(O)CH3
  798661.7058  0.0236 -4.6447 3 1068.6149B92  595161404741064 0    731063 0      C-13-H3C(O)CH3
  798661.7058  0.0236 -4.6447 3 1068.6149B92  595161404741164 0    731163 0      C-13-H3C(O)CH3
  798661.7058  0.0236 -4.3145 3 1068.6149B92  595161404741164 0    731063 0      C-13-H3C(O)CH3
  798663.3967  0.0131 -5.9817 3 1094.8885D04 -59516140481 279 2    80 378 2      C-13-H3C(O)CH3
  798663.3967  0.0131 -4.1038 3 1094.8885D04 -59516140481 279 2    80 278 2      C-13-H3C(O)CH3
  798663.3967  0.0131 -5.9817 3 1094.8885D04 -59516140481 379 2    80 278 2      C-13-H3C(O)CH3
  798663.3967  0.0131 -4.1038 3 1094.8885D04 -59516140481 379 2    80 378 2      C-13-H3C(O)CH3
  798663.3967  0.0113 -4.6307 3 1094.8889D04 -59516140481 379 1    80 378 1      C-13-H3C(O)CH3
  798663.3967  0.0113 -4.2489 3 1094.8889D04 -59516140481 379 1    80 278 1      C-13-H3C(O)CH3
  798663.3967  0.0113 -4.2489 3 1094.8889D04 -59516140481 279 1    80 378 1      C-13-H3C(O)CH3
  798663.3967  0.0113 -4.6307 3 1094.8889D04 -59516140481 279 1    80 278 1      C-13-H3C(O)CH3
  798687.2660  0.0389 -4.7722 3 1068.5940B92  595161404741164 2    731163 2      C-13-H3C(O)CH3
  798687.2660  0.0389 -4.7722 3 1068.5940B92  595161404741064 2    731063 2      C-13-H3C(O)CH3
  798687.2660  0.0389 -4.2656 3 1068.5940B92  595161404741064 2    731163 2      C-13-H3C(O)CH3
  798687.2660  0.0389 -4.2656 3 1068.5940B92  595161404741164 2    731063 2      C-13-H3C(O)CH3
  798687.3113  0.0404 -5.3065 3 1068.5942B92  595161404741164 1    731063 1      C-13-H3C(O)CH3
  798687.3113  0.0404 -5.3065 3 1068.5942B92  595161404741064 1    731163 1      C-13-H3C(O)CH3
  798687.3113  0.0404 -4.1791 3 1068.5942B92  595161404741064 1    731063 1      C-13-H3C(O)CH3
  798687.3113  0.0404 -4.1791 3 1068.5942B92  595161404741164 1    731163 1      C-13-H3C(O)CH3
  798687.3201  0.0086 -6.1395 3 1094.8929D04 -59516140481 279 0    80 278 0      C-13-H3C(O)CH3
  798687.3201  0.0086 -4.1020 3 1094.8929D04 -59516140481 379 0    80 278 0      C-13-H3C(O)CH3
  798687.3786  0.0086 -6.1395 3 1094.8929D04  59516140481 379 0    80 378 0      C-13-H3C(O)CH3
  798687.3786  0.0086 -4.1020 3 1094.8929D04  59516140481 279 0    80 378 0      C-13-H3C(O)CH3
  798712.8935  0.0280 -4.7777 3 1068.5732596  595161404741164 3    731163 3      C-13-H3C(O)CH3
  798712.8935  0.0280 -4.7237 3 1068.5732596  595161404741164 3    731063 3      C-13-H3C(O)CH3
  798712.8935  0.0280 -4.7237 3 1068.5732596  595161404741064 3    731163 3      C-13-H3C(O)CH3
  798712.8935  0.0280 -4.7777 3 1068.5732596  595161404741064 3    731063 3      C-13-H3C(O)CH3
  798712.9185  0.0280 -4.4572 3 1068.5732596  595161404741164 4    731063 4      C-13-H3C(O)CH3
  798712.9185  0.0280 -4.4572 3 1068.5732596  595161404741064 4    731163 4      C-13-H3C(O)CH3
  799125.7473  0.6097 -5.4430 3 1014.8669492  595161404613724 3    603823 3      C-13-H3C(O)CH3
  799151.4248  0.0451 -4.0664 3  648.2129792  595161404493020 1    482919 1      C-13-H3C(O)CH3
  799152.7241  0.0045 -3.4205 3  528.5854696 -595161404433311 0    423210 0      C-13-H3C(O)CH3
  799152.7241  0.0045 -3.4205 3  528.5854696 -595161404433310 0    423211 0      C-13-H3C(O)CH3
  799172.4363  0.0665 -5.4486 3  537.9813356  595161404443114 3    433013 3      C-13-H3C(O)CH3
  799176.8331  0.0054 -3.5408 3  537.9761712 -595161404443114 0    433013 0      C-13-H3C(O)CH3
  799243.8736  0.0050 -3.4206 3  528.6030696 -595161404433310 2    423210 2      C-13-H3C(O)CH3
  799250.9604  0.0056 -3.4205 3  528.5611696 -595161404433311 1    423211 1      C-13-H3C(O)CH3
  799267.5901  0.0054 -3.4204 3  528.5781696 -595161404433311 2    423211 2      C-13-H3C(O)CH3
  799281.2312  0.0054 -3.5407 3  537.9737712  595161404443113 0    433014 0      C-13-H3C(O)CH3
  799289.3665  0.0051 -3.4204 3  528.5884696 -595161404433310 1    423210 1      C-13-H3C(O)CH3
  799292.5264  0.5395 -5.4523 3 1014.8620492  595161404613724 4    603823 4      C-13-H3C(O)CH3
  799328.3512  0.0065 -3.5423 3  537.9550712 -595161404443114 1    433014 1      C-13-H3C(O)CH3
  799342.9039  0.0069 -3.7217 3  528.5786348  595161404433311 3    423211 3      C-13-H3C(O)CH3
  799357.5772  0.0056 -3.5416 3  538.0013712 -595161404443113 2    433013 2      C-13-H3C(O)CH3
  799362.2581  0.0055 -3.5424 3  537.9829712 -595161404443113 1    433013 1      C-13-H3C(O)CH3
  799366.6794  0.0074 -3.7214 3  528.5535348  595161404433311 4    423211 4      C-13-H3C(O)CH3
  799380.6713  0.0068 -3.7216 3  528.6059348  595161404433310 4    423210 4      C-13-H3C(O)CH3
  799386.4662  0.0062 -3.5411 3  537.9619712 -595161404443114 2    433014 2      C-13-H3C(O)CH3
  799405.0357  0.0068 -3.7214 3  528.5810348  595161404433310 3    423210 3      C-13-H3C(O)CH3
  799426.1612  0.0326 -4.1637 3 1007.6193A80  595161404671949 0    661948 0      C-13-H3C(O)CH3
  799426.1612  0.0326 -5.9133 3 1007.6193A80  595161404671849 0    661948 0      C-13-H3C(O)CH3
  799426.1612  0.0326 -5.9133 3 1007.6193A80  595161404671949 0    661848 0      C-13-H3C(O)CH3
  799426.1612  0.0326 -4.1637 3 1007.6193A80  595161404671849 0    661848 0      C-13-H3C(O)CH3
  799440.0469  0.0797 -4.0657 3  648.2018792  595161404493020 2    482919 2      C-13-H3C(O)CH3
  799454.4205  0.0077 -3.8526 3  537.9813356  595161404443113 3    433013 3      C-13-H3C(O)CH3
  799465.6803  0.0336 -4.2008 3 1007.6216A80  595161404671949 1    661948 1      C-13-H3C(O)CH3
  799465.6803  0.0336 -5.1656 3 1007.6216A80  595161404671849 1    661948 1      C-13-H3C(O)CH3
  799465.6803  0.0336 -4.2008 3 1007.6216A80  595161404671849 1    661848 1      C-13-H3C(O)CH3
  799465.6803  0.0336 -5.1656 3 1007.6216A80  595161404671949 1    661848 1      C-13-H3C(O)CH3
  799466.4911  0.0339 -4.1866 3 1007.6217A80  595161404671849 2    661848 2      C-13-H3C(O)CH3
  799466.4911  0.0339 -4.1866 3 1007.6217A80  595161404671949 2    661948 2      C-13-H3C(O)CH3
  799466.4911  0.0339 -5.3237 3 1007.6217A80  595161404671949 2    661848 2      C-13-H3C(O)CH3
  799466.4911  0.0339 -5.3237 3 1007.6217A80  595161404671849 2    661948 2      C-13-H3C(O)CH3
  799484.3229  0.0080 -3.8415 3  537.9418356  595161404443114 4    433014 4      C-13-H3C(O)CH3
  799493.6880  0.0069 -3.8421 3  538.0091356  595161404443113 4    433013 4      C-13-H3C(O)CH3
  799506.0523  0.0357 -5.6972 3 1007.6240540  595161404671849 3    661848 3      C-13-H3C(O)CH3
  799506.0523  0.0357 -4.4828 3 1007.6240540  595161404671849 3    661948 3      C-13-H3C(O)CH3
  799506.0523  0.0357 -5.6972 3 1007.6240540  595161404671949 3    661948 3      C-13-H3C(O)CH3
  799506.0523  0.0357 -4.4828 3 1007.6240540  595161404671949 3    661848 3      C-13-H3C(O)CH3
  799506.1239  0.0357 -6.0771 3 1007.6240540  595161404671849 4    661948 4      C-13-H3C(O)CH3
  799506.1239  0.0357 -4.4676 3 1007.6240540  595161404671949 4    661948 4      C-13-H3C(O)CH3
  799506.1239  0.0357 -4.4676 3 1007.6240540  595161404671849 4    661848 4      C-13-H3C(O)CH3
  799506.1239  0.0357 -6.0771 3 1007.6240540  595161404671949 4    661848 4      C-13-H3C(O)CH3
  799523.7523  0.0074 -3.8522 3  537.9696356  595161404443114 3    433014 3      C-13-H3C(O)CH3
  799529.3990  0.0070 -4.3154 3  323.0268292  595161404361719 4    351620 4      C-13-H3C(O)CH3
  799529.5162  0.0068 -4.3154 3  323.0269292  595161404361719 3    351620 3      C-13-H3C(O)CH3
  799542.2928  0.0070 -4.3154 3  323.0268292  595161404361819 4    351520 4      C-13-H3C(O)CH3
  799542.4495  0.0068 -4.3154 3  323.0269292  595161404361819 3    351520 3      C-13-H3C(O)CH3
  799542.5728  0.0063 -4.0146 3  323.0510584  595161404361719 2    351620 2      C-13-H3C(O)CH3
  799555.4250  0.0063 -4.0146 3  323.0510584  595161404361819 2    351520 2      C-13-H3C(O)CH3
  799568.6123  0.0061 -4.0146 3  323.0538584  595161404361719 1    351620 1      C-13-H3C(O)CH3
  799580.9801  0.0061 -4.0145 3  323.0538584  595161404361819 1    351520 1      C-13-H3C(O)CH3
  799581.7198  0.0056 -4.0147 3  323.0780584  595161404361719 0    351620 0      C-13-H3C(O)CH3
  799594.0147  0.0056 -4.0147 3  323.0780584  595161404361819 0    351520 0      C-13-H3C(O)CH3
  799805.7365  0.0677 -5.4481 3  537.9696356  595161404443113 3    433014 3      C-13-H3C(O)CH3
  799818.7996  0.0245 -4.5042 3 1077.1036C08 -59516140475 966 0    741065 0      C-13-H3C(O)CH3
  799818.7996  0.0245 -4.4021 3 1077.1036C08 -59516140475 966 0    74 965 0      C-13-H3C(O)CH3
  799818.7996  0.0245 -4.5042 3 1077.1036C08 -595161404751066 0    74 965 0      C-13-H3C(O)CH3
  799818.7996  0.0245 -4.4021 3 1077.1036C08 -595161404751066 0    741065 0      C-13-H3C(O)CH3
  799824.2041  0.0068 -4.4745 3  263.9037276  595161404341222 4    331123 4      C-13-H3C(O)CH3
  799824.2043  0.0068 -4.4745 3  263.9037276  595161404341322 4    331023 4      C-13-H3C(O)CH3
  799824.6419  0.0060 -4.4745 3  263.9037276  595161404341222 3    331123 3      C-13-H3C(O)CH3
  799824.6422  0.0060 -4.4745 3  263.9037276  595161404341322 3    331023 3      C-13-H3C(O)CH3
  799839.6840  0.0418 -4.1719 3 1077.0791C08  59516140475 966 2    741065 2      C-13-H3C(O)CH3
  799839.6840  0.0418 -5.4393 3 1077.0791C08  595161404751066 2    741065 2      C-13-H3C(O)CH3
  799839.6840  0.0418 -4.1719 3 1077.0791C08  595161404751066 2    74 965 2      C-13-H3C(O)CH3
  799839.6840  0.0418 -5.4393 3 1077.0791C08  59516140475 966 2    74 965 2      C-13-H3C(O)CH3
  799839.6970  0.0432 -4.6869 3 1077.0792C08  59516140475 966 1    74 965 1      C-13-H3C(O)CH3
  799839.6970  0.0432 -4.6869 3 1077.0792C08  595161404751066 1    741065 1      C-13-H3C(O)CH3
  799839.6970  0.0432 -4.2977 3 1077.0792C08  595161404751066 1    74 965 1      C-13-H3C(O)CH3
  799839.6970  0.0432 -4.2977 3 1077.0792C08  59516140475 966 1    741065 1      C-13-H3C(O)CH3
  799860.3751  0.0270 -4.4543 3 1077.0546604  59516140475 966 3    74 965 3      C-13-H3C(O)CH3
  799860.3751  0.0270 -4.4543 3 1077.0546604  595161404751066 3    741065 3      C-13-H3C(O)CH3
  799860.3875  0.0270 -4.4783 3 1077.0545604  595161404751066 4    74 965 4      C-13-H3C(O)CH3
  799860.3875  0.0270 -5.6497 3 1077.0545604  59516140475 966 4    74 965 4      C-13-H3C(O)CH3
  799860.3875  0.0270 -5.6497 3 1077.0545604  595161404751066 4    741065 4      C-13-H3C(O)CH3
  799860.3875  0.0270 -4.4783 3 1077.0545604  59516140475 966 4    741065 4      C-13-H3C(O)CH3
  799875.3230  0.0091 -4.9783 3 1099.0899660  59516140482 181 3    81 280 3      C-13-H3C(O)CH3
  799875.3230  0.0091 -4.5254 3 1099.0899660  59516140482 281 3    81 280 3      C-13-H3C(O)CH3
  799875.3230  0.0091 -4.9783 3 1099.0899660  59516140482 281 3    81 180 3      C-13-H3C(O)CH3
  799875.3230  0.0091 -4.5254 3 1099.0899660  59516140482 181 3    81 180 3      C-13-H3C(O)CH3
  799875.3431  0.0091 -4.3965 3 1099.0899660  59516140482 181 4    81 280 4      C-13-H3C(O)CH3
  799875.3431  0.0091 -4.3965 3 1099.0899660  59516140482 281 4    81 180 4      C-13-H3C(O)CH3
  799894.4498  0.0150 -4.2715 3 1099.0680D20  59516140482 181 2    81 280 2      C-13-H3C(O)CH3
  799894.4498  0.0150 -4.5660 3 1099.0680D20  59516140482 281 2    81 280 2      C-13-H3C(O)CH3
  799894.4992  0.0150 -4.2715 3 1099.0680D20 -59516140482 281 2    81 180 2      C-13-H3C(O)CH3
  799894.4992  0.0150 -4.5660 3 1099.0680D20 -59516140482 181 2    81 180 2      C-13-H3C(O)CH3
  799894.4992  0.0123 -4.6023 3 1099.0684D20 -59516140482 281 1    81 180 1      C-13-H3C(O)CH3
  799894.4992  0.0123 -4.2542 3 1099.0684D20 -59516140482 181 1    81 180 1      C-13-H3C(O)CH3
  799894.6039  0.0123 -4.6023 3 1099.0684D20  59516140482 181 1    81 280 1      C-13-H3C(O)CH3
  799894.6039  0.0123 -4.2542 3 1099.0684D20  59516140482 281 1    81 280 1      C-13-H3C(O)CH3
  799913.6400  0.0090 -4.1243 3 1099.0466D20 -59516140482 181 0    81 280 0      C-13-H3C(O)CH3
  799913.6400  0.0090 -5.2530 3 1099.0466D20 -59516140482 181 0    81 180 0      C-13-H3C(O)CH3
  799913.6400  0.0090 -5.2530 3 1099.0466D20 -59516140482 281 0    81 280 0      C-13-H3C(O)CH3
  799913.6400  0.0090 -4.1243 3 1099.0466D20 -59516140482 281 0    81 180 0      C-13-H3C(O)CH3
  799917.4594  0.0706 -4.3660 3  648.1809396  595161404493020 4    482919 4      C-13-H3C(O)CH3
  799977.3316  0.0775 -4.3651 3  648.1801396  595161404493020 3    482919 3      C-13-H3C(O)CH3
  799986.2488  0.0058 -4.1734 3  263.9193552  595161404341222 2    331123 2      C-13-H3C(O)CH3
  799986.2490  0.0058 -4.1734 3  263.9193552  595161404341322 2    331023 2      C-13-H3C(O)CH3
  799998.9603  0.0284 -4.1998 3  807.2453888  595161404553125 0    543024 0      C-13-H3C(O)CH3
  799998.9855  0.0059 -4.1734 3  263.9207552  595161404341222 1    331123 1      C-13-H3C(O)CH3
  799998.9857  0.0059 -4.1734 3  263.9207552  595161404341322 1    331023 1      C-13-H3C(O)CH3
  800160.3189  0.0056 -4.1732 3  263.9362552  595161404341222 0    331123 0      C-13-H3C(O)CH3
  800160.3192  0.0056 -4.1732 3  263.9362552  595161404341322 0    331023 0      C-13-H3C(O)CH3
  800161.4105  0.0248 -4.2001 3  807.2409888  595161404553125 1    543024 1      C-13-H3C(O)CH3
  800189.3142  0.0275 -4.2001 3  807.2395888  595161404553125 2    543024 2      C-13-H3C(O)CH3
  800199.7559  0.0388 -5.9627 3  537.9550712  595161404443113 1    433014 1      C-13-H3C(O)CH3
  800291.6963  0.4336 -5.1425 3 1014.8383984  595161404613724 1    603823 1      C-13-H3C(O)CH3
  800353.2851  0.0212 -4.5014 3  807.2350444  595161404553125 4    543024 4      C-13-H3C(O)CH3
  800355.8040  0.0215 -4.5014 3  807.2349444  595161404553125 3    543024 3      C-13-H3C(O)CH3
  800393.5046  0.6250 -5.1425 3 1014.8381984  595161404613724 2    603823 2      C-13-H3C(O)CH3
  800442.8201  0.0182 -5.8559 3  219.6541236  595161404292010 4    281513 4      C-13-H3C(O)CH3
  800454.1169  0.0318 -4.3189 3 1020.4789A96  595161404681851 0    671850 0      C-13-H3C(O)CH3
  800454.1169  0.0318 -4.6774 3 1020.4789A96  595161404681851 0    671750 0      C-13-H3C(O)CH3
  800454.1169  0.0318 -4.6774 3 1020.4789A96  595161404681751 0    671850 0      C-13-H3C(O)CH3
  800454.1169  0.0318 -4.3189 3 1020.4789A96  595161404681751 0    671750 0      C-13-H3C(O)CH3
  800477.4042  0.0085 -3.1974 3  519.8163648 -5951614044040 1 0    3939 1 0      C-13-H3C(O)CH3
  800477.4042  0.0085 -3.1974 3  519.8163648 -5951614044040 0 0    3939 0 0      C-13-H3C(O)CH3
  800493.3466  0.0331 -5.1389 3 1020.4796A96  595161404681851 1    671750 1      C-13-H3C(O)CH3
  800493.3466  0.0331 -4.2094 3 1020.4796A96  595161404681851 1    671850 1      C-13-H3C(O)CH3
  800493.3466  0.0331 -4.2094 3 1020.4796A96  595161404681751 1    671750 1      C-13-H3C(O)CH3
  800493.3466  0.0331 -5.1389 3 1020.4796A96  595161404681751 1    671850 1      C-13-H3C(O)CH3
  800493.9791  0.0334 -4.1681 3 1020.4797A96  595161404681851 2    671750 2      C-13-H3C(O)CH3
  800493.9791  0.0334 -5.9588 3 1020.4797A96  595161404681851 2    671850 2      C-13-H3C(O)CH3
  800493.9791  0.0334 -4.1681 3 1020.4797A96  595161404681751 2    671850 2      C-13-H3C(O)CH3
  800493.9791  0.0334 -5.9588 3 1020.4797A96  595161404681751 2    671750 2      C-13-H3C(O)CH3
  800533.2493  0.0354 -4.4943 3 1020.4804548  595161404681751 3    671850 3      C-13-H3C(O)CH3
  800533.2493  0.0354 -4.4943 3 1020.4804548  595161404681851 3    671750 3      C-13-H3C(O)CH3
  800533.2493  0.0354 -5.6079 3 1020.4804548  595161404681751 3    671750 3      C-13-H3C(O)CH3
  800533.2493  0.0354 -5.6079 3 1020.4804548  595161404681851 3    671850 3      C-13-H3C(O)CH3
  800533.3185  0.0355 -4.4622 3 1020.4804548  595161404681751 4    671850 4      C-13-H3C(O)CH3
  800533.3185  0.0355 -4.6338 3 1020.4804548  595161404681851 4    671750 4      C-13-H3C(O)CH3
  800533.3185  0.0355 -4.9483 3 1020.4804548  595161404681751 4    671750 4      C-13-H3C(O)CH3
  800637.5691  0.0094 -3.1971 3  519.7550648 -5951614044040 1 2    3939 1 2      C-13-H3C(O)CH3
  800662.7481  0.0137 -5.5257 3  219.6700472  595161404292010 1    281513 1      C-13-H3C(O)CH3
  800675.3249  0.0138 -5.7992 3  219.6538236  595161404292010 3    281513 3      C-13-H3C(O)CH3
  800692.2303  0.3809 -6.1317 3 1313.6369556  595161404694426 3    684523 3      C-13-H3C(O)CH3
  800707.0382  0.0093 -3.1972 3  519.8546648 -5951614044040 0 1    3939 0 1      C-13-H3C(O)CH3
  800710.5641  0.0176 -5.5737 3  236.0450236  5951614042924 5 4    2821 7 4      C-13-H3C(O)CH3
  800714.8281  0.0107 -3.1972 3  519.8225648 -5951614044040 0 2    3939 0 2      C-13-H3C(O)CH3
  800731.9482  0.0093 -3.1970 3  519.7762648 -5951614044040 1 1    3939 1 1      C-13-H3C(O)CH3
  800746.8175  0.0097 -5.7507 3  216.3630236  595161404291911 4    281414 4      C-13-H3C(O)CH3
  800778.1902  0.0147 -5.5708 3  236.0225236  5951614042924 6 3    2821 7 3      C-13-H3C(O)CH3
  800782.0498  0.0091 -5.7496 3  216.3629236  595161404291911 3    281414 3      C-13-H3C(O)CH3
  800848.5510  0.0099 -5.4486 3  216.3782472  595161404291911 1    281414 1      C-13-H3C(O)CH3
  800853.6590  0.3643 -5.9095 3 1313.5962B12  595161404694426 2    684523 2      C-13-H3C(O)CH3
  800866.8612  0.0134 -3.4980 3  519.7932324  5951614044040 0 3    3939 0 3      C-13-H3C(O)CH3
  800881.5657  0.4084 -5.8763 3 1313.6034B12  595161404694426 1    684523 1      C-13-H3C(O)CH3
  800891.4047  0.0137 -3.4978 3  519.7150324  5951614044040 1 4    3939 1 4      C-13-H3C(O)CH3
  800941.3017  0.0910 -4.5996 3  812.6801444  595161404553124 3    543223 3      C-13-H3C(O)CH3
  800944.9876  0.0151 -3.4980 3  519.8607324  5951614044040 0 4    3939 0 4      C-13-H3C(O)CH3
  800953.5620  0.0889 -4.5996 3  812.6798444  595161404553124 4    543223 4      C-13-H3C(O)CH3
  800969.1667  0.0144 -3.4978 3  519.7824324  5951614044040 1 3    3939 1 3      C-13-H3C(O)CH3
  800987.8439  0.0252 -4.2628 3 1085.0568C24 -59516140476 968 0    75 867 0      C-13-H3C(O)CH3
  800987.8439  0.0252 -4.7892 3 1085.0568C24 -59516140476 868 0    75 867 0      C-13-H3C(O)CH3
  800987.8439  0.0252 -4.2628 3 1085.0568C24 -59516140476 868 0    75 967 0      C-13-H3C(O)CH3
  800987.8439  0.0252 -4.7892 3 1085.0568C24 -59516140476 968 0    75 967 0      C-13-H3C(O)CH3
  801003.4178  0.0448 -4.4784 3 1085.0289C24  59516140476 868 1    75 867 1      C-13-H3C(O)CH3
  801003.4178  0.0448 -4.4245 3 1085.0289C24  59516140476 868 1    75 967 1      C-13-H3C(O)CH3
  801003.4178  0.0448 -4.4245 3 1085.0289C24  59516140476 968 1    75 867 1      C-13-H3C(O)CH3
  801003.4178  0.0448 -4.4784 3 1085.0289C24  59516140476 968 1    75 967 1      C-13-H3C(O)CH3
  801003.4639  0.0435 -4.1710 3 1085.0288C24  59516140476 968 2    75 867 2      C-13-H3C(O)CH3
  801003.4639  0.0435 -5.4675 3 1085.0288C24  59516140476 968 2    75 967 2      C-13-H3C(O)CH3
  801003.4639  0.0435 -4.1710 3 1085.0288C24  59516140476 868 2    75 967 2      C-13-H3C(O)CH3
  801003.4639  0.0435 -5.4675 3 1085.0288C24  59516140476 868 2    75 867 2      C-13-H3C(O)CH3
  801018.2106  0.0258 -5.2069 3 1085.0008612  59516140476 968 4    75 967 4      C-13-H3C(O)CH3
  801018.2106  0.0258 -5.2069 3 1085.0008612  59516140476 868 4    75 867 4      C-13-H3C(O)CH3
  801018.2106  0.0258 -4.5342 3 1085.0008612  59516140476 868 4    75 967 4      C-13-H3C(O)CH3
  801018.2106  0.0258 -4.5342 3 1085.0008612  59516140476 968 4    75 867 4      C-13-H3C(O)CH3
  801018.2124  0.0258 -5.0910 3 1085.0008612  59516140476 868 3    75 867 3      C-13-H3C(O)CH3
  801018.2124  0.0258 -5.0910 3 1085.0008612  59516140476 968 3    75 967 3      C-13-H3C(O)CH3
  801018.2124  0.0258 -4.5634 3 1085.0008612  59516140476 968 3    75 867 3      C-13-H3C(O)CH3
  801018.2124  0.0258 -4.5634 3 1085.0008612  59516140476 868 3    75 967 3      C-13-H3C(O)CH3
  801025.3519  0.0096 -5.4494 3  216.3732472  595161404291911 2    281414 2      C-13-H3C(O)CH3
  801099.2817  0.0137 -5.2726 3  236.0568472  5951614042924 5 1    2821 7 1      C-13-H3C(O)CH3
  801104.3023  0.0103 -5.4486 3  216.3884472  595161404291911 0    281414 0      C-13-H3C(O)CH3
  801130.3137  0.0152 -4.5482 3 1102.7768668 -59516140483 083 4    82 082 4      C-13-H3C(O)CH3
  801130.3137  0.0152 -5.4486 3 1102.7768668 -59516140483 083 3    82 182 3      C-13-H3C(O)CH3
  801130.3137  0.0152 -4.9010 3 1102.7768668 -59516140483 183 4    82 082 4      C-13-H3C(O)CH3
  801130.3137  0.0152 -4.4283 3 1102.7768668 -59516140483 183 3    82 182 3      C-13-H3C(O)CH3
  801130.3525  0.0152 -4.9010 3 1102.7768668  59516140483 083 4    82 182 4      C-13-H3C(O)CH3
  801130.3525  0.0152 -4.5482 3 1102.7768668  59516140483 183 4    82 182 4      C-13-H3C(O)CH3
  801130.3730  0.0152 -4.4283 3 1102.7768668  59516140483 083 3    82 082 3      C-13-H3C(O)CH3
  801130.3730  0.0152 -5.4486 3 1102.7768668  59516140483 183 3    82 082 3      C-13-H3C(O)CH3
  801132.9147  0.0208 -4.4261 3 1102.7145D36  59516140483 183 1    82 082 1      C-13-H3C(O)CH3
  801132.9147  0.0208 -4.3541 3 1102.7145D36  59516140483 083 1    82 082 1      C-13-H3C(O)CH3
  801132.9889  0.0208 -4.3541 3 1102.7145D36 -59516140483 183 1    82 182 1      C-13-H3C(O)CH3
  801132.9889  0.0208 -4.4261 3 1102.7145D36 -59516140483 083 1    82 182 1      C-13-H3C(O)CH3
  801132.9889  0.0264 -4.0898 3 1102.7144D36 -59516140483 083 2    82 182 2      C-13-H3C(O)CH3
  801133.1113  0.0264 -4.0898 3 1102.7144D36  59516140483 183 2    82 082 2      C-13-H3C(O)CH3
  801135.6334  0.0167 -4.2625 3 1102.6522D36  59516140483 083 0    82 182 0      C-13-H3C(O)CH3
  801135.6334  0.0167 -4.3096 3 1102.6522D36  59516140483 183 0    82 082 0      C-13-H3C(O)CH3
  801135.6545  0.0167 -4.5667 3 1102.6522D36 -59516140483 183 0    82 182 0      C-13-H3C(O)CH3
  801135.6545  0.0167 -4.4850 3 1102.6522D36 -59516140483 083 0    82 082 0      C-13-H3C(O)CH3
  801145.4262  0.1009 -4.2971 3  812.6793888  595161404553124 2    543223 2      C-13-H3C(O)CH3
  801146.0187  0.4048 -5.8213 3 1313.5595B12  595161404694426 0    684523 0      C-13-H3C(O)CH3
  801149.1801  0.0691 -4.2970 3  812.6804888  595161404553124 1    543223 1      C-13-H3C(O)CH3
  801161.3453  0.0148 -5.5726 3  236.0126236  5951614042924 5 3    2821 8 3      C-13-H3C(O)CH3
  801179.9492  0.0123 -5.4935 3  219.6620472  595161404292010 2    281513 2      C-13-H3C(O)CH3
  801229.0639  0.0155 -5.5683 3  235.9902236  5951614042924 6 4    2821 8 4      C-13-H3C(O)CH3
  801288.9346  0.0118 -5.4816 3  219.6781472  595161404292010 0    281513 0      C-13-H3C(O)CH3
  801341.5154  0.0761 -4.2956 3  812.6798888  595161404553124 0    543223 0      C-13-H3C(O)CH3
  801382.1400  0.0075 -3.9875 3  349.7213600  595161404371918 2    361819 2      C-13-H3C(O)CH3
  801393.3661  0.0134 -5.2753 3  236.0634472  5951614042924 5 2    2821 7 2      C-13-H3C(O)CH3
  801402.7402  0.0063 -3.9877 3  349.7496600  595161404371918 0    361819 0      C-13-H3C(O)CH3
  801405.8556  0.0083 -4.2883 3  349.6967300  595161404371918 3    361819 3      C-13-H3C(O)CH3
  801406.3093  0.0083 -4.2883 3  349.6967300  595161404371918 4    361819 4      C-13-H3C(O)CH3
  801426.3443  0.0068 -3.9875 3  349.7250600  595161404371918 1    361819 1      C-13-H3C(O)CH3
  801457.1801  0.0134 -5.2717 3  236.0409472  5951614042924 6 2    2821 8 2      C-13-H3C(O)CH3
  801481.8222  0.4686 -5.1383 3 1014.8122984  595161404613724 0    603823 0      C-13-H3C(O)CH3
  801505.8300  0.0307 -4.1660 3 1032.7895B12  595161404691753 0    681752 0      C-13-H3C(O)CH3
  801505.8300  0.0307 -4.1660 3 1032.7895B12  595161404691653 0    681652 0      C-13-H3C(O)CH3
  801544.6052  0.0326 -6.0882 3 1032.7882B12  595161404691653 1    681752 1      C-13-H3C(O)CH3
  801544.6052  0.0326 -6.0882 3 1032.7882B12  595161404691753 1    681652 1      C-13-H3C(O)CH3
  801544.6052  0.0326 -4.1712 3 1032.7882B12  595161404691753 1    681752 1      C-13-H3C(O)CH3
  801544.6052  0.0326 -4.1712 3 1032.7882B12  595161404691653 1    681652 1      C-13-H3C(O)CH3
  801545.0686  0.0327 -4.8721 3 1032.7882B12  595161404691653 2    681752 2      C-13-H3C(O)CH3
  801545.0686  0.0327 -4.2610 3 1032.7882B12  595161404691653 2    681652 2      C-13-H3C(O)CH3
  801545.0686  0.0327 -4.8721 3 1032.7882B12  595161404691753 2    681652 2      C-13-H3C(O)CH3
  801545.0686  0.0327 -4.2610 3 1032.7882B12  595161404691753 2    681752 2      C-13-H3C(O)CH3
  801545.0927  0.0133 -5.2708 3  236.0245472  5951614042924 6 1    2821 8 1      C-13-H3C(O)CH3
  801583.8827  0.0350 -5.3134 3 1032.7869556  595161404691653 3    681652 3      C-13-H3C(O)CH3
  801583.8827  0.0350 -4.4680 3 1032.7869556  595161404691653 3    681752 3      C-13-H3C(O)CH3
  801583.8827  0.0350 -4.5337 3 1032.7869556  595161404691753 3    681652 3      C-13-H3C(O)CH3
  801583.9490  0.0350 -4.7616 3 1032.7869556  595161404691653 4    681752 4      C-13-H3C(O)CH3
  801583.9490  0.0350 -4.7616 3 1032.7869556  595161404691753 4    681652 4      C-13-H3C(O)CH3
  801583.9490  0.0350 -4.7744 3 1032.7869556  595161404691653 4    681652 4      C-13-H3C(O)CH3
  801583.9490  0.0350 -4.7744 3 1032.7869556  595161404691753 4    681752 4      C-13-H3C(O)CH3
  801723.3265  0.0073 -3.9873 3  349.7209600  595161404372018 2    361719 2      C-13-H3C(O)CH3
  801733.0520  0.0063 -3.9874 3  349.7491600  595161404372018 0    361719 0      C-13-H3C(O)CH3
  801748.0851  0.0080 -4.2881 3  349.6963300  595161404372018 4    361719 4      C-13-H3C(O)CH3
  801748.2717  0.0079 -4.2881 3  349.6963300  595161404372018 3    361719 3      C-13-H3C(O)CH3
  801757.7629  0.0067 -3.9872 3  349.7246600  595161404372018 1    361719 1      C-13-H3C(O)CH3
  801768.9675  0.0140 -5.2749 3  236.0754472  5951614042924 6 0    2821 7 0      C-13-H3C(O)CH3
  801791.7182  0.0140 -5.2749 3  236.0746472  5951614042924 5 0    2821 8 0      C-13-H3C(O)CH3
  801908.9907  0.0131 -6.0938 3  573.0076744  595161404462917 2    452817 2      C-13-H3C(O)CH3
  801917.7207  0.0204 -4.4666 3  347.2599584  595161404362413 1    352114 1      C-13-H3C(O)CH3
  801933.1521  0.0623 -4.5399 3  554.5180364  595161404453016 4    442915 4      C-13-H3C(O)CH3
  801938.4597  0.0075 -3.9825 3  376.4815616  595161404382217 0    371918 0      C-13-H3C(O)CH3
  801973.6857  0.0082 -3.9824 3  376.4526616  595161404382217 2    371918 2      C-13-H3C(O)CH3
  801991.4778  0.0076 -3.9822 3  376.4577616  595161404382217 1    371918 1      C-13-H3C(O)CH3
  802025.3812  0.0086 -4.2831 3  376.4287308  595161404382217 4    371918 4      C-13-H3C(O)CH3
  802027.5382  0.0085 -4.2831 3  376.4287308  595161404382217 3    371918 3      C-13-H3C(O)CH3
  802101.6950  0.0138 -5.9511 3  572.9929372  595161404462917 4    452817 4      C-13-H3C(O)CH3
  802122.9471  0.0192 -4.4681 3  347.2755584  595161404362413 0    352114 0      C-13-H3C(O)CH3
  802170.3776  0.0252 -4.5173 3 1092.4750C40  59516140477 770 0    76 869 0      C-13-H3C(O)CH3
  802170.3776  0.0252 -4.3927 3 1092.4750C40  59516140477 770 0    76 769 0      C-13-H3C(O)CH3
  802170.3776  0.0252 -4.5173 3 1092.4750C40  59516140477 870 0    76 769 0      C-13-H3C(O)CH3
  802170.3776  0.0252 -4.3927 3 1092.4750C40  59516140477 870 0    76 869 0      C-13-H3C(O)CH3
  802178.2013  0.0444 -4.3055 3 1092.4443C40  59516140477 770 1    76 769 1      C-13-H3C(O)CH3
  802178.2013  0.0444 -4.6697 3 1092.4443C40  59516140477 870 1    76 769 1      C-13-H3C(O)CH3
  802178.2013  0.0444 -4.3055 3 1092.4443C40  59516140477 870 1    76 869 1      C-13-H3C(O)CH3
  802178.2013  0.0444 -4.6697 3 1092.4443C40  59516140477 770 1    76 869 1      C-13-H3C(O)CH3
  802178.3178  0.0433 -4.2869 3 1092.4442C40  59516140477 770 2    76 769 2      C-13-H3C(O)CH3
  802178.3178  0.0433 -4.7161 3 1092.4442C40  59516140477 770 2    76 869 2      C-13-H3C(O)CH3
  802178.3178  0.0433 -4.7161 3 1092.4442C40  59516140477 870 2    76 769 2      C-13-H3C(O)CH3
  802178.3178  0.0433 -4.2869 3 1092.4442C40  59516140477 870 2    76 869 2      C-13-H3C(O)CH3
  802186.1373  0.0242 -4.4512 3 1092.4133620  59516140477 770 4    76 769 4      C-13-H3C(O)CH3
  802186.1373  0.0242 -4.4512 3 1092.4133620  59516140477 870 4    76 869 4      C-13-H3C(O)CH3
  802186.1540  0.0242 -5.0064 3 1092.4134620  59516140477 870 3    76 769 3      C-13-H3C(O)CH3
  802186.1540  0.0242 -4.5919 3 1092.4134620  59516140477 870 3    76 869 3      C-13-H3C(O)CH3
  802186.1540  0.0242 -5.0064 3 1092.4134620  59516140477 770 3    76 869 3      C-13-H3C(O)CH3
  802186.1540  0.0242 -4.5919 3 1092.4134620  59516140477 770 3    76 769 3      C-13-H3C(O)CH3
  802304.3447  0.0249 -4.7823 3  347.2269292  595161404362413 4    352114 4      C-13-H3C(O)CH3
  802337.0713  0.0268 -4.7758 3  347.2271292  595161404362413 3    352114 3      C-13-H3C(O)CH3
  802379.8566  0.0257 -4.1603 3  892.6521952  595161404592732 0    582831 0      C-13-H3C(O)CH3
  802379.8865  0.0257 -4.1603 3  892.6521952  595161404592832 0    582731 0      C-13-H3C(O)CH3
  802404.6429  0.0053 -3.2509 3  523.1374664  5951614044138 3 0    4037 3 0      C-13-H3C(O)CH3
  802404.6429  0.0053 -3.2509 3  523.1374664  5951614044138 4 0    4037 4 0      C-13-H3C(O)CH3
  802425.7126  0.0266 -4.1603 3  892.6585952  595161404592732 1    582831 1      C-13-H3C(O)CH3
  802425.7481  0.0266 -4.1603 3  892.6585952  595161404592832 1    582731 1      C-13-H3C(O)CH3
  802428.2129  0.0086 -4.6773 3  230.5703268  59516140433 924 4    32 725 4      C-13-H3C(O)CH3
  802428.2129  0.0086 -5.8944 3  230.5703268  59516140433 924 4    32 825 4      C-13-H3C(O)CH3
  802428.2129  0.0086 -5.9279 3  230.5703268  595161404331024 4    32 725 4      C-13-H3C(O)CH3
  802428.2129  0.0086 -4.6753 3  230.5703268  595161404331024 4    32 825 4      C-13-H3C(O)CH3
  802428.6791  0.0074 -4.8880 3  230.5703268  59516140433 924 3    32 725 3      C-13-H3C(O)CH3
  802428.6791  0.0074 -5.0289 3  230.5703268  59516140433 924 3    32 825 3      C-13-H3C(O)CH3
  802428.6791  0.0074 -5.0302 3  230.5703268  595161404331024 3    32 725 3      C-13-H3C(O)CH3
  802428.6791  0.0074 -4.8870 3  230.5703268  595161404331024 3    32 825 3      C-13-H3C(O)CH3
  802430.0102  0.0285 -4.1603 3  892.6591952  595161404592732 2    582831 2      C-13-H3C(O)CH3
  802430.0439  0.0285 -4.1603 3  892.6591952  595161404592832 2    582731 2      C-13-H3C(O)CH3
  802475.9295  0.0296 -4.4614 3  892.6655476  595161404592732 3    582831 3      C-13-H3C(O)CH3
  802475.9695  0.0296 -4.4614 3  892.6655476  595161404592832 3    582731 3      C-13-H3C(O)CH3
  802476.0232  0.0297 -4.4614 3  892.6655476  595161404592732 4    582831 4      C-13-H3C(O)CH3
  802476.0628  0.0297 -4.4614 3  892.6655476  595161404592832 4    582731 4      C-13-H3C(O)CH3
  802503.6240  0.0053 -3.2508 3  523.0949664 -5951614044138 4 2    4037 4 2      C-13-H3C(O)CH3
  802534.0490  0.0222 -4.4800 3  347.2425584  595161404362413 2    352114 2      C-13-H3C(O)CH3
  802548.0800  0.0278 -4.1580 3  910.7859968  595161404602634 0    592733 0      C-13-H3C(O)CH3
  802548.0804  0.0278 -4.1580 3  910.7859968  595161404602734 0    592633 0      C-13-H3C(O)CH3
  802562.9376  0.0057 -3.2507 3  523.1330664 -5951614044138 3 2    4037 3 2      C-13-H3C(O)CH3
  802564.5531  0.0426 -3.9751 3  554.5136728  595161404453016 2    442915 2      C-13-H3C(O)CH3
  802577.9059  0.0292 -4.2398 3 1044.5537B28  595161404701655 0    691654 0      C-13-H3C(O)CH3
  802577.9059  0.0292 -5.0016 3 1044.5537B28  595161404701655 0    691554 0      C-13-H3C(O)CH3
  802577.9059  0.0292 -4.3638 3 1044.5537B28  595161404701555 0    691554 0      C-13-H3C(O)CH3
  802577.9059  0.0292 -4.6151 3 1044.5537B28  595161404701555 0    691654 0      C-13-H3C(O)CH3
  802587.0495  0.0055 -3.2507 3  523.0944664 -5951614044138 4 1    4037 4 1      C-13-H3C(O)CH3
  802591.3773  0.0287 -4.1580 3  910.7931968  595161404602634 1    592733 1      C-13-H3C(O)CH3
  802591.3779  0.0287 -4.1580 3  910.7931968  595161404602734 1    592633 1      C-13-H3C(O)CH3
  802594.6607  0.0303 -4.1580 3  910.7937968  595161404602634 2    592733 2      C-13-H3C(O)CH3
  802594.6613  0.0303 -4.1580 3  910.7937968  595161404602734 2    592633 2      C-13-H3C(O)CH3
  802609.3832  0.0055 -3.2507 3  523.1536664 -5951614044138 3 1    4037 3 1      C-13-H3C(O)CH3
  802615.7405  0.0236 -4.1671 3  873.8431936  595161404582830 0    572929 0      C-13-H3C(O)CH3
  802615.9645  0.0323 -4.1844 3 1044.5502B28  595161404701655 1    691654 1      C-13-H3C(O)CH3
  802615.9645  0.0323 -5.6724 3 1044.5502B28  595161404701555 1    691654 1      C-13-H3C(O)CH3
  802615.9645  0.0323 -5.6724 3 1044.5502B28  595161404701655 1    691554 1      C-13-H3C(O)CH3
  802615.9645  0.0323 -4.1844 3 1044.5502B28  595161404701555 1    691554 1      C-13-H3C(O)CH3
  802616.2717  0.0322 -5.0172 3 1044.5501B28  595161404701555 2    691554 2      C-13-H3C(O)CH3
  802616.2717  0.0322 -5.0172 3 1044.5501B28  595161404701655 2    691654 2      C-13-H3C(O)CH3
  802616.2717  0.0322 -4.2371 3 1044.5501B28  595161404701555 2    691654 2      C-13-H3C(O)CH3
  802616.2717  0.0322 -4.2371 3 1044.5501B28  595161404701655 2    691554 2      C-13-H3C(O)CH3
  802617.1707  0.0236 -4.1671 3  873.8431936  595161404582930 0    572829 0      C-13-H3C(O)CH3
  802638.0149  0.0313 -4.4591 3  910.8008484  595161404602634 3    592733 3      C-13-H3C(O)CH3
  802638.0156  0.0313 -4.4591 3  910.8008484  595161404602734 3    592633 3      C-13-H3C(O)CH3
  802638.1024  0.0313 -4.4591 3  910.8008484  595161404602634 4    592733 4      C-13-H3C(O)CH3
  802638.1032  0.0313 -4.4591 3  910.8008484  595161404602734 4    592633 4      C-13-H3C(O)CH3
  802654.3673  0.0343 -4.7020 3 1044.5466564  595161404701555 3    691554 3      C-13-H3C(O)CH3
  802654.3673  0.0343 -4.7020 3 1044.5466564  595161404701655 3    691654 3      C-13-H3C(O)CH3
  802654.3673  0.0343 -4.8567 3 1044.5466564  595161404701655 3    691554 3      C-13-H3C(O)CH3
  802654.3673  0.0343 -4.8567 3 1044.5466564  595161404701555 3    691654 3      C-13-H3C(O)CH3
  802654.4301  0.0343 -5.5578 3 1044.5465564  595161404701555 4    691654 4      C-13-H3C(O)CH3
  802654.4301  0.0343 -5.5578 3 1044.5465564  595161404701655 4    691554 4      C-13-H3C(O)CH3
  802654.4301  0.0343 -4.5086 3 1044.5465564  595161404701655 4    691654 4      C-13-H3C(O)CH3
  802654.4301  0.0343 -4.5086 3 1044.5465564  595161404701555 4    691554 4      C-13-H3C(O)CH3
  802665.5029  0.0245 -4.1672 3  873.8483936  595161404582830 1    572929 1      C-13-H3C(O)CH3
  802667.1078  0.0245 -4.1672 3  873.8482936  595161404582930 1    572829 1      C-13-H3C(O)CH3
  802671.4924  0.0266 -4.1672 3  873.8487936  595161404582830 2    572929 2      C-13-H3C(O)CH3
  802673.0605  0.0266 -4.1672 3  873.8487936  595161404582930 2    572829 2      C-13-H3C(O)CH3
  802685.8288  0.0082 -3.5516 3  523.0520332  5951614044138 4 4    4037 4 4      C-13-H3C(O)CH3
  802707.7730  0.0076 -3.5516 3  523.1111332  5951614044138 3 3    4037 3 3      C-13-H3C(O)CH3
  802721.3231  0.0279 -4.4683 3  873.8539468  595161404582830 3    572929 3      C-13-H3C(O)CH3
  802721.4306  0.0279 -4.4683 3  873.8539468  595161404582830 4    572929 4      C-13-H3C(O)CH3
  802723.0823  0.0279 -4.4683 3  873.8538468  595161404582930 3    572829 3      C-13-H3C(O)CH3
  802723.1814  0.0279 -4.4683 3  873.8539468  595161404582930 4    572829 4      C-13-H3C(O)CH3
  802729.4631  0.0063 -6.1381 3  230.5729536  595161404331024 2    32 825 2      C-13-H3C(O)CH3
  802729.4631  0.0063 -4.3574 3  230.5729536  595161404331024 2    32 725 2      C-13-H3C(O)CH3
  802729.4631  0.0063 -4.3570 3  230.5729536  59516140433 924 2    32 825 2      C-13-H3C(O)CH3
  802738.3421  0.0066 -4.3813 3  230.5738536  595161404331024 1    32 725 1      C-13-H3C(O)CH3
  802738.3421  0.0066 -5.5124 3  230.5738536  595161404331024 1    32 825 1      C-13-H3C(O)CH3
  802738.3421  0.0066 -5.5836 3  230.5738536  59516140433 924 1    32 725 1      C-13-H3C(O)CH3
  802738.3421  0.0066 -4.3765 3  230.5738536  59516140433 924 1    32 825 1      C-13-H3C(O)CH3
  802744.5564  0.0079 -3.5515 3  523.0900332  5951614044138 4 3    4037 4 3      C-13-H3C(O)CH3
  802767.1056  0.0079 -3.5516 3  523.1491332  5951614044138 3 4    4037 3 4      C-13-H3C(O)CH3
  802804.4427  0.0242 -3.8338 3  554.5037728  595161404453016 1    442915 1      C-13-H3C(O)CH3
  802974.7470  0.0299 -4.1586 3  928.2811984  595161404612536 0    602635 0      C-13-H3C(O)CH3
  802974.7470  0.0299 -4.1586 3  928.2811984  595161404612636 0    602535 0      C-13-H3C(O)CH3
  802977.0414  0.0067 -3.6632 3  554.5065728  595161404453016 0    442915 0      C-13-H3C(O)CH3
  803016.3235  0.0306 -4.1587 3  928.2888984  595161404612536 1    602635 1      C-13-H3C(O)CH3
  803016.3236  0.0306 -4.1587 3  928.2888984  595161404612636 1    602535 1      C-13-H3C(O)CH3
  803018.9526  0.0321 -4.1587 3  928.2894984  595161404612636 2    602535 2      C-13-H3C(O)CH3
  803018.9526  0.0321 -4.1587 3  928.2894984  595161404612536 2    602635 2      C-13-H3C(O)CH3
  803038.5611  0.0063 -4.3620 3  230.5764536  59516140433 924 0    32 725 0      C-13-H3C(O)CH3
  803038.5611  0.0063 -5.8941 3  230.5764536  595161404331024 0    32 725 0      C-13-H3C(O)CH3
  803038.5611  0.0063 -5.4614 3  230.5764536  595161404331024 0    32 825 0      C-13-H3C(O)CH3
  803038.5611  0.0063 -4.3841 3  230.5764536  59516140433 924 0    32 825 0      C-13-H3C(O)CH3
  803060.5817  0.0329 -4.4597 3  928.2970492  595161404612636 3    602535 3      C-13-H3C(O)CH3
  803060.5817  0.0329 -4.4597 3  928.2970492  595161404612536 3    602635 3      C-13-H3C(O)CH3
  803060.6652  0.0329 -4.4597 3  928.2970492  595161404612536 4    602635 4      C-13-H3C(O)CH3
  803060.6653  0.0329 -4.4597 3  928.2970492  595161404612636 4    602535 4      C-13-H3C(O)CH3
  803079.1448  0.0208 -5.8695 3  213.9616440  5951614042725 2 1    2622 4 1      C-13-H3C(O)CH3
  803173.9256  0.0195 -5.8722 3  213.9772440  5951614042725 2 2    2622 4 2      C-13-H3C(O)CH3
  803175.1994  0.5731 -6.0351 3 1273.2272548  595161404684325 3    674424 3      C-13-H3C(O)CH3
  803197.5317  0.4733 -6.0314 3 1273.2274548  595161404684325 4    674424 4      C-13-H3C(O)CH3
  803241.2072  0.0257 -4.0158 3  554.5004364  595161404453016 3    442915 3      C-13-H3C(O)CH3
  803363.7333  0.0238 -5.1697 3 1099.3585C56  59516140478 672 0    77 671 0      C-13-H3C(O)CH3
  803363.7333  0.0238 -4.1922 3 1099.3585C56  59516140478 672 0    77 771 0      C-13-H3C(O)CH3
  803363.7333  0.0238 -4.1922 3 1099.3585C56  59516140478 772 0    77 671 0      C-13-H3C(O)CH3
  803363.7333  0.0238 -5.1697 3 1099.3585C56  59516140478 772 0    77 771 0      C-13-H3C(O)CH3
  803363.8592  0.0410 -5.1496 3 1099.3261C56  59516140478 672 1    77 771 1      C-13-H3C(O)CH3
  803363.8592  0.0410 -4.1943 3 1099.3261C56  59516140478 772 1    77 771 1      C-13-H3C(O)CH3
  803363.8592  0.0410 -4.1943 3 1099.3261C56  59516140478 672 1    77 671 1      C-13-H3C(O)CH3
  803363.8592  0.0410 -5.1496 3 1099.3261C56  59516140478 772 1    77 671 1      C-13-H3C(O)CH3
  803364.0344  0.0402 -4.5571 3 1099.3260C56  59516140478 772 2    77 771 2      C-13-H3C(O)CH3
  803364.0344  0.0402 -4.5571 3 1099.3260C56  59516140478 672 2    77 671 2      C-13-H3C(O)CH3
  803364.0344  0.0402 -4.3636 3 1099.3260C56  59516140478 672 2    77 771 2      C-13-H3C(O)CH3
  803364.0344  0.0402 -4.3636 3 1099.3260C56  59516140478 772 2    77 671 2      C-13-H3C(O)CH3
  803364.1394  0.0219 -5.1321 3 1099.2935628  59516140478 672 4    77 671 4      C-13-H3C(O)CH3
  803364.1394  0.0219 -4.5507 3 1099.2935628  59516140478 772 4    77 671 4      C-13-H3C(O)CH3
  803364.1394  0.0219 -4.5507 3 1099.2935628  59516140478 672 4    77 771 4      C-13-H3C(O)CH3
  803364.1394  0.0219 -5.1321 3 1099.2935628  59516140478 772 4    77 771 4      C-13-H3C(O)CH3
  803364.1702  0.0219 -4.4789 3 1099.2935628  59516140478 672 3    77 771 3      C-13-H3C(O)CH3
  803364.1702  0.0219 -5.6358 3 1099.2935628  59516140478 672 3    77 671 3      C-13-H3C(O)CH3
  803364.1702  0.0219 -4.4789 3 1099.2935628  59516140478 772 3    77 671 3      C-13-H3C(O)CH3
  803364.1702  0.0219 -5.6358 3 1099.2935628  59516140478 772 3    77 771 3      C-13-H3C(O)CH3
  803476.6760  0.0207 -5.8682 3  213.9406440  5951614042725 3 2    2622 5 2      C-13-H3C(O)CH3
  803517.1711  0.0216 -4.1815 3  854.3003920  595161404572928 0    563027 0      C-13-H3C(O)CH3
  803548.6498  0.4343 -5.7321 3 1273.1914A96  595161404684325 1    674424 1      C-13-H3C(O)CH3
  803568.6360  0.0214 -4.1814 3  854.2990920  595161404573028 0    562927 0      C-13-H3C(O)CH3
  803571.9385  0.0226 -4.1817 3  854.3037920  595161404572928 1    563027 1      C-13-H3C(O)CH3
  803576.0380  0.0317 -4.1624 3  945.1626A00  595161404622538 0    612437 0      C-13-H3C(O)CH3
  803576.0380  0.0317 -4.1612 3  945.1626A00  595161404622438 0    612537 0      C-13-H3C(O)CH3
  803581.1261  0.0249 -4.1816 3  854.3038920  595161404572928 2    563027 2      C-13-H3C(O)CH3
  803582.9847  0.5138 -5.7286 3 1273.1847A96  595161404684325 2    674424 2      C-13-H3C(O)CH3
  803616.4526  0.0325 -6.0232 3  945.1704A00  595161404622438 1    612437 1      C-13-H3C(O)CH3
  803616.4526  0.0325 -4.1615 3  945.1704A00  595161404622538 1    612437 1      C-13-H3C(O)CH3
  803616.4526  0.0325 -4.1665 3  945.1704A00  595161404622438 1    612537 1      C-13-H3C(O)CH3
  803618.6332  0.0337 -6.0162 3  945.1710A00  595161404622438 2    612437 2      C-13-H3C(O)CH3
  803618.6332  0.0337 -4.1683 3  945.1710A00  595161404622438 2    612537 2      C-13-H3C(O)CH3
  803618.6332  0.0337 -4.1673 3  945.1710A00  595161404622538 2    612437 2      C-13-H3C(O)CH3
  803618.6332  0.0337 -5.9526 3  945.1710A00  595161404622538 2    612537 2      C-13-H3C(O)CH3
  803627.4579  0.0223 -4.1816 3  854.3022920  595161404573028 1    562927 1      C-13-H3C(O)CH3
  803635.8561  0.0263 -4.4828 3  854.3072460  595161404572928 3    563027 3      C-13-H3C(O)CH3
  803636.0599  0.0263 -4.4828 3  854.3072460  595161404572928 4    563027 4      C-13-H3C(O)CH3
  803636.2573  0.0241 -4.1816 3  854.3024920  595161404573028 2    562927 2      C-13-H3C(O)CH3
  803659.0973  0.0343 -4.4627 3  945.1788500  595161404622538 3    612437 3      C-13-H3C(O)CH3
  803659.0973  0.0343 -4.4651 3  945.1788500  595161404622438 3    612537 3      C-13-H3C(O)CH3
  803659.1779  0.0343 -4.4624 3  945.1788500  595161404622538 4    612437 4      C-13-H3C(O)CH3
  803659.1779  0.0343 -4.4625 3  945.1788500  595161404622438 4    612537 4      C-13-H3C(O)CH3
  803667.8516  0.0276 -4.1785 3 1055.7742B44  595161404711457 0    701456 0      C-13-H3C(O)CH3
  803667.8516  0.0276 -4.1785 3 1055.7742B44  595161404711557 0    701556 0      C-13-H3C(O)CH3
  803695.3316  0.0254 -4.4828 3  854.3056460  595161404573028 3    562927 3      C-13-H3C(O)CH3
  803695.3750  0.0255 -4.4828 3  854.3056460  595161404573028 4    562927 4      C-13-H3C(O)CH3
  803704.8229  0.0326 -5.4612 3 1055.7680B44  595161404711457 1    701556 1      C-13-H3C(O)CH3
  803704.8229  0.0326 -4.1977 3 1055.7680B44  595161404711557 1    701556 1      C-13-H3C(O)CH3
  803704.8229  0.0326 -5.4612 3 1055.7680B44  595161404711557 1    701456 1      C-13-H3C(O)CH3
  803704.8229  0.0326 -4.1977 3 1055.7680B44  595161404711457 1    701456 1      C-13-H3C(O)CH3
  803704.9923  0.0321 -4.7019 3 1055.7679B44  595161404711457 2    701456 2      C-13-H3C(O)CH3
  803704.9923  0.0321 -4.3276 3 1055.7679B44  595161404711457 2    701556 2      C-13-H3C(O)CH3
  803704.9923  0.0321 -4.3276 3 1055.7679B44  595161404711557 2    701456 2      C-13-H3C(O)CH3
  803704.9923  0.0321 -4.7019 3 1055.7679B44  595161404711557 2    701556 2      C-13-H3C(O)CH3
  803741.9983  0.0335 -4.8182 3 1055.7617572  595161404711457 3    701556 3      C-13-H3C(O)CH3
  803741.9983  0.0335 -4.8182 3 1055.7617572  595161404711557 3    701456 3      C-13-H3C(O)CH3
  803741.9983  0.0335 -4.7387 3 1055.7617572  595161404711557 3    701556 3      C-13-H3C(O)CH3
  803741.9983  0.0335 -4.7387 3 1055.7617572  595161404711457 3    701456 3      C-13-H3C(O)CH3
  803742.0567  0.0335 -4.4756 3 1055.7617572  595161404711557 4    701456 4      C-13-H3C(O)CH3
  803742.0567  0.0335 -4.4756 3 1055.7617572  595161404711457 4    701556 4      C-13-H3C(O)CH3
  803770.9237  0.0205 -5.8680 3  213.9272440  5951614042725 3 1    2622 5 1      C-13-H3C(O)CH3
  803816.1109  0.4412 -5.9434 3 1227.0415540  595161404674127 4    664224 4      C-13-H3C(O)CH3
  803853.1602  0.0209 -5.8728 3  213.9939440  5951614042725 3 0    2622 4 0      C-13-H3C(O)CH3
  803853.1854  0.0209 -5.8728 3  213.9939440  5951614042725 2 0    2622 5 0      C-13-H3C(O)CH3
  803865.2894  0.0129 -5.9329 3  196.5677260  59516140432 726 4    31 427 4      C-13-H3C(O)CH3
  803865.2894  0.0129 -4.9936 3  196.5677260  59516140432 726 4    31 527 4      C-13-H3C(O)CH3
  803865.2894  0.0129 -5.4235 3  196.5677260  59516140432 626 4    31 527 4      C-13-H3C(O)CH3
  803865.2894  0.0129 -5.1224 3  196.5677260  59516140432 626 4    31 427 4      C-13-H3C(O)CH3
  803865.5313  0.0112 -5.0916 3  196.5677260  59516140432 726 3    31 427 3      C-13-H3C(O)CH3
  803865.5313  0.0112 -4.9471 3  196.5677260  59516140432 626 3    31 527 3      C-13-H3C(O)CH3
  803865.5313  0.0112 -5.4924 3  196.5677260  59516140432 626 3    31 427 3      C-13-H3C(O)CH3
  803890.4504  0.3070 -5.9359 3 1227.0394540  595161404674127 3    664224 3      C-13-H3C(O)CH3
  803947.8205  0.4359 -5.7284 3 1273.1489A96  595161404684325 0    674424 0      C-13-H3C(O)CH3
  804144.6324  0.0050 -3.3150 3  528.0679680 -5951614044236 6 0    4135 7 0      C-13-H3C(O)CH3
  804144.6324  0.0050 -3.3150 3  528.0679680 -5951614044236 7 0    4135 6 0      C-13-H3C(O)CH3
  804154.9039  0.2700 -5.6383 3 1227.0124A80  595161404674127 1    664224 1      C-13-H3C(O)CH3
  804186.2892  0.6219 -5.9425 3 1233.5009540  595161404674225 3    664324 3      C-13-H3C(O)CH3
  804216.9395  0.0103 -4.1502 3  554.5037728  595161404453015 1    442915 1      C-13-H3C(O)CH3
  804228.7947  0.0054 -3.3150 3  528.0461680 -5951614044236 7 2    4135 7 2      C-13-H3C(O)CH3
  804248.1826  0.0055 -3.3150 3  528.0684680 -5951614044236 6 2    4135 6 2      C-13-H3C(O)CH3
  804263.3145  0.3560 -5.6370 3 1227.0076A80  595161404674127 2    664224 2      C-13-H3C(O)CH3
  804270.5538  0.4666 -5.9815 3 1233.4992540  595161404674225 4    664324 4      C-13-H3C(O)CH3
  804275.7862  0.0054 -3.3149 3  528.0314680 -5951614044236 7 1    4135 7 1      C-13-H3C(O)CH3
  804300.3695  0.0334 -4.1677 3  961.4477A16  595161404632340 0    622339 0      C-13-H3C(O)CH3
  804300.3695  0.0334 -4.1677 3  961.4477A16  595161404632440 0    622439 0      C-13-H3C(O)CH3
  804313.8772  0.0056 -3.3149 3  528.0726680 -5951614044236 6 1    4135 6 1      C-13-H3C(O)CH3
  804328.3603  0.5454 -6.1268 3 1313.6308556  595161404694425 3    684524 3      C-13-H3C(O)CH3
  804328.8762  0.0114 -4.9042 3  554.5004364  595161404453015 3    442915 3      C-13-H3C(O)CH3
  804332.4376  0.0129 -3.9517 3  554.5136728  595161404453015 2    442915 2      C-13-H3C(O)CH3
  804340.0219  0.0341 -5.5062 3  961.4554A16  595161404632440 1    622339 1      C-13-H3C(O)CH3
  804340.0219  0.0341 -4.1853 3  961.4554A16  595161404632440 1    622439 1      C-13-H3C(O)CH3
  804340.0219  0.0341 -5.5062 3  961.4554A16  595161404632340 1    622439 1      C-13-H3C(O)CH3
  804340.0219  0.0341 -4.1853 3  961.4554A16  595161404632340 1    622339 1      C-13-H3C(O)CH3
  804341.8748  0.0351 -4.1763 3  961.4560A16  595161404632440 2    622339 2      C-13-H3C(O)CH3
  804341.8748  0.0351 -5.7557 3  961.4560A16  595161404632340 2    622339 2      C-13-H3C(O)CH3
  804341.8748  0.0351 -4.1763 3  961.4560A16  595161404632340 2    622439 2      C-13-H3C(O)CH3
  804341.8748  0.0351 -5.7557 3  961.4560A16  595161404632440 2    622439 2      C-13-H3C(O)CH3
  804359.3664  0.0102 -5.1717 3  196.5482520  59516140432 626 2    31 527 2      C-13-H3C(O)CH3
  804359.3664  0.0102 -4.7975 3  196.5482520  59516140432 726 2    31 527 2      C-13-H3C(O)CH3
  804359.3664  0.0102 -5.1717 3  196.5482520  59516140432 726 2    31 427 2      C-13-H3C(O)CH3
  804359.3664  0.0102 -4.7975 3  196.5482520  59516140432 626 2    31 427 2      C-13-H3C(O)CH3
  804360.4793  0.0076 -3.6159 3  528.0095340  5951614044236 7 4    4135 7 4      C-13-H3C(O)CH3
  804364.8811  0.0110 -5.0639 3  196.5488520  59516140432 626 1    31 427 1      C-13-H3C(O)CH3
  804364.8811  0.0110 -4.8528 3  196.5488520  59516140432 626 1    31 527 1      C-13-H3C(O)CH3
  804364.8811  0.0110 -4.8528 3  196.5488520  59516140432 726 1    31 427 1      C-13-H3C(O)CH3
  804364.8811  0.0110 -5.0639 3  196.5488520  59516140432 726 1    31 527 1      C-13-H3C(O)CH3
  804379.1106  0.0076 -3.6159 3  528.0320340  5951614044236 7 3    4135 7 3      C-13-H3C(O)CH3
  804381.5747  0.0355 -4.8277 3  961.4637508  595161404632340 3    622339 3      C-13-H3C(O)CH3
  804381.5747  0.0355 -4.7140 3  961.4637508  595161404632340 3    622439 3      C-13-H3C(O)CH3
  804381.5747  0.0355 -4.7140 3  961.4637508  595161404632440 3    622339 3      C-13-H3C(O)CH3
  804381.5747  0.0355 -4.8277 3  961.4637508  595161404632440 3    622439 3      C-13-H3C(O)CH3
  804381.6530  0.0355 -4.5494 3  961.4637508  595161404632440 4    622339 4      C-13-H3C(O)CH3
  804381.6530  0.0355 -5.2242 3  961.4637508  595161404632340 4    622339 4      C-13-H3C(O)CH3
  804381.6530  0.0355 -5.2242 3  961.4637508  595161404632440 4    622439 4      C-13-H3C(O)CH3
  804381.6530  0.0355 -4.5494 3  961.4637508  595161404632340 4    622439 4      C-13-H3C(O)CH3
  804397.9204  0.0075 -3.6159 3  528.0508340  5951614044236 6 3    4135 6 3      C-13-H3C(O)CH3
  804416.6937  0.0078 -3.6159 3  528.0731340  5951614044236 6 4    4135 6 4      C-13-H3C(O)CH3
  804499.3230  0.0090 -3.7534 3  549.9185728  595161404452916 0    442817 0      C-13-H3C(O)CH3
  804542.3271  0.0199 -5.5671 3  161.9387252  59516140431 328 3    30 229 3      C-13-H3C(O)CH3
  804542.3271  0.0199 -5.5671 3  161.9387252  59516140431 428 3    30 129 3      C-13-H3C(O)CH3
  804542.8572  0.0218 -5.5648 3  161.9387252  59516140431 428 4    30 129 4      C-13-H3C(O)CH3
  804542.8572  0.0218 -5.5648 3  161.9387252  59516140431 328 4    30 229 4      C-13-H3C(O)CH3
  804552.4473  0.0189 -4.4585 3 1105.6428636  59516140479 574 4    78 673 4      C-13-H3C(O)CH3
  804552.4473  0.0189 -6.0748 3 1105.6428636  59516140479 574 4    78 573 4      C-13-H3C(O)CH3
  804552.4473  0.0189 -4.4585 3 1105.6428636  59516140479 674 4    78 573 4      C-13-H3C(O)CH3
  804552.4473  0.0189 -6.0748 3 1105.6428636  59516140479 674 4    78 673 4      C-13-H3C(O)CH3
  804552.4882  0.0189 -4.9463 3 1105.6428636  59516140479 574 3    78 573 3      C-13-H3C(O)CH3
  804552.4882  0.0189 -4.9463 3 1105.6428636  59516140479 674 3    78 673 3      C-13-H3C(O)CH3
  804552.4882  0.0189 -4.6140 3 1105.6428636  59516140479 574 3    78 673 3      C-13-H3C(O)CH3
  804552.4882  0.0189 -4.6140 3 1105.6428636  59516140479 674 3    78 573 3      C-13-H3C(O)CH3
  804560.2347  0.0343 -4.6105 3 1105.6751C72  59516140479 574 1    78 673 1      C-13-H3C(O)CH3
  804560.2347  0.0343 -4.3302 3 1105.6751C72  59516140479 674 1    78 673 1      C-13-H3C(O)CH3
  804560.4295  0.0339 -4.3518 3 1105.6750C72  59516140479 574 2    78 573 2      C-13-H3C(O)CH3
  804560.4295  0.0339 -4.3518 3 1105.6750C72  59516140479 674 2    78 673 2      C-13-H3C(O)CH3
  804560.6809  0.0343 -4.6105 3 1105.6751C72 -59516140479 674 1    78 573 1      C-13-H3C(O)CH3
  804560.6809  0.0339 -4.5721 3 1105.6750C72 -59516140479 574 2    78 673 2      C-13-H3C(O)CH3
  804560.6809  0.0343 -4.3302 3 1105.6751C72 -59516140479 574 1    78 573 1      C-13-H3C(O)CH3
  804560.6809  0.0339 -4.5721 3 1105.6750C72 -59516140479 674 2    78 573 2      C-13-H3C(O)CH3
  804564.2034  0.2350 -5.6367 3 1226.9797A80  595161404674127 0    664224 0      C-13-H3C(O)CH3
  804565.9635  0.0207 -5.9609 3 1105.7073C72 -59516140479 574 0    78 673 0      C-13-H3C(O)CH3
  804565.9635  0.0207 -5.9609 3 1105.7073C72 -59516140479 674 0    78 573 0      C-13-H3C(O)CH3
  804568.1829  0.0207 -4.1539 3 1105.7073C72  59516140479 674 0    78 673 0      C-13-H3C(O)CH3
  804568.1829  0.0207 -4.1539 3 1105.7073C72  59516140479 574 0    78 573 0      C-13-H3C(O)CH3
  804582.5579  0.0135 -4.0964 3  554.5180364 -595161404453015 4    442915 4      C-13-H3C(O)CH3
  804632.6905  0.0107 -3.7592 3  549.9084728  595161404452916 1    442817 1      C-13-H3C(O)CH3
  804645.8694  0.5074 -5.8715 3 1313.5946B12  595161404694425 1    684524 1      C-13-H3C(O)CH3
  804646.1218  0.6324 -5.9046 3 1313.5864B12  595161404694425 2    684524 2      C-13-H3C(O)CH3
  804658.8188  0.0118 -4.0541 3  549.9007364  595161404452916 3    442817 3      C-13-H3C(O)CH3
  804705.8511  0.4428 -5.6558 3 1233.4644A80  595161404674225 1    664324 1      C-13-H3C(O)CH3
  804714.0892  0.0130 -3.7674 3  549.9088728  595161404452916 2    442817 2      C-13-H3C(O)CH3
  804773.8482  0.0261 -5.1910 3 1066.4529B60  595161404721459 0    711458 0      C-13-H3C(O)CH3
  804773.8482  0.0261 -5.1910 3 1066.4529B60  595161404721359 0    711358 0      C-13-H3C(O)CH3
  804773.8482  0.0261 -4.2227 3 1066.4529B60  595161404721459 0    711358 0      C-13-H3C(O)CH3
  804773.8482  0.0261 -4.2227 3 1066.4529B60  595161404721359 0    711458 0      C-13-H3C(O)CH3
  804785.1533  0.5326 -5.6462 3 1233.4592A80  595161404674225 2    664324 2      C-13-H3C(O)CH3
  804809.2413  0.0337 -5.8336 3 1066.4438B60  595161404721359 1    711358 1      C-13-H3C(O)CH3
  804809.2413  0.0337 -5.8336 3 1066.4438B60  595161404721459 1    711458 1      C-13-H3C(O)CH3
  804809.2413  0.0337 -4.1881 3 1066.4438B60  595161404721359 1    711458 1      C-13-H3C(O)CH3
  804809.2413  0.0337 -4.1881 3 1066.4438B60  595161404721459 1    711358 1      C-13-H3C(O)CH3
  804809.2977  0.0329 -4.2560 3 1066.4436B60  595161404721459 2    711458 2      C-13-H3C(O)CH3
  804809.2977  0.0329 -4.2560 3 1066.4436B60  595161404721359 2    711358 2      C-13-H3C(O)CH3
  804809.2977  0.0329 -4.9643 3 1066.4436B60  595161404721459 2    711358 2      C-13-H3C(O)CH3
  804809.2977  0.0329 -4.9643 3 1066.4436B60  595161404721359 2    711458 2      C-13-H3C(O)CH3
  804844.7229  0.0326 -4.5141 3 1066.4344580  595161404721459 3    711458 3      C-13-H3C(O)CH3
  804844.7229  0.0326 -4.5141 3 1066.4344580  595161404721359 3    711358 3      C-13-H3C(O)CH3
  804844.7229  0.0326 -5.5928 3 1066.4344580  595161404721459 3    711358 3      C-13-H3C(O)CH3
  804844.7229  0.0326 -5.5928 3 1066.4344580  595161404721359 3    711458 3      C-13-H3C(O)CH3
  804844.7757  0.0326 -4.4887 3 1066.4344580  595161404721359 4    711458 4      C-13-H3C(O)CH3
  804844.7757  0.0326 -4.4887 3 1066.4344580  595161404721459 4    711358 4      C-13-H3C(O)CH3
  804857.6969  0.0097 -4.6568 3  196.5294520  59516140432 726 0    31 527 0      C-13-H3C(O)CH3
  804857.6969  0.0097 -4.6568 3  196.5294520  59516140432 626 0    31 427 0      C-13-H3C(O)CH3
  804862.5908  0.4496 -5.8164 3 1313.5535B12  595161404694425 0    684524 0      C-13-H3C(O)CH3
  804875.1880  0.0246 -6.0912 3  347.2425584  595161404362412 2    352114 2      C-13-H3C(O)CH3
  805033.0817  0.0234 -4.0932 3  549.8965364  595161404452916 4    442817 4      C-13-H3C(O)CH3
  805092.3821  0.0101 -3.9504 3  554.4292728 -595161404453016 2    442916 2      C-13-H3C(O)CH3
  805092.3821  0.0089 -4.1491 3  554.4273728 -595161404453016 1    442916 1      C-13-H3C(O)CH3
  805098.6234  0.0101 -4.0951 3  554.4124364  595161404453016 4    442916 4      C-13-H3C(O)CH3
  805111.1819  0.4855 -6.0954 3 1354.6856B28  595161404704526 1    694623 1      C-13-H3C(O)CH3
  805114.3556  0.0347 -4.3788 3  977.1493A32  595161404642242 0    632341 0      C-13-H3C(O)CH3
  805114.3556  0.0347 -4.5877 3  977.1493A32  595161404642242 0    632241 0      C-13-H3C(O)CH3
  805114.3556  0.0347 -4.5877 3  977.1493A32  595161404642342 0    632341 0      C-13-H3C(O)CH3
  805114.3556  0.0347 -4.3788 3  977.1493A32  595161404642342 0    632241 0      C-13-H3C(O)CH3
  805153.5409  0.0353 -4.1721 3  977.1567A32  595161404642342 1    632341 1      C-13-H3C(O)CH3
  805153.5409  0.0353 -4.1721 3  977.1567A32  595161404642242 1    632241 1      C-13-H3C(O)CH3
  805155.1367  0.0362 -4.1822 3  977.1572A32  595161404642242 2    632241 2      C-13-H3C(O)CH3
  805155.1367  0.0362 -4.1918 3  977.1572A32  595161404642342 2    632341 2      C-13-H3C(O)CH3
  805155.1367  0.0362 -5.7206 3  977.1572A32  595161404642242 2    632341 2      C-13-H3C(O)CH3
  805155.1367  0.0362 -5.4758 3  977.1572A32  595161404642342 2    632241 2      C-13-H3C(O)CH3
  805179.7779  0.0230 -4.2112 3  833.9304904  595161404563026 0    553125 0      C-13-H3C(O)CH3
  805194.3678  0.0366 -4.6807 3  977.1646516  595161404642242 3    632241 3      C-13-H3C(O)CH3
  805194.3678  0.0366 -4.4714 3  977.1646516  595161404642342 3    632341 3      C-13-H3C(O)CH3
  805194.3678  0.0366 -4.8875 3  977.1646516  595161404642342 3    632241 3      C-13-H3C(O)CH3
  805194.4443  0.0366 -5.2795 3  977.1646516  595161404642342 4    632341 4      C-13-H3C(O)CH3
  805194.4443  0.0366 -4.5442 3  977.1646516  595161404642342 4    632241 4      C-13-H3C(O)CH3
  805194.4443  0.0366 -4.5442 3  977.1646516  595161404642242 4    632341 4      C-13-H3C(O)CH3
  805194.4443  0.0366 -5.2795 3  977.1646516  595161404642242 4    632241 4      C-13-H3C(O)CH3
  805219.2023  0.0238 -4.2116 3  833.9314904  595161404563026 1    553125 1      C-13-H3C(O)CH3
  805234.0918  0.0290 -4.2116 3  833.9309904  595161404563026 2    553125 2      C-13-H3C(O)CH3
  805265.7550  0.4554 -5.6394 3 1233.4237A80  595161404674225 0    664324 0      C-13-H3C(O)CH3
  805272.0003  0.0298 -4.5130 3  833.9319452  595161404563026 3    553125 3      C-13-H3C(O)CH3
  805273.3276  0.0295 -4.5130 3  833.9319452  595161404563026 4    553125 4      C-13-H3C(O)CH3
  805299.8465  0.0250 -5.3025 3  161.8844504  59516140431 428 2    30 129 2      C-13-H3C(O)CH3
  805299.8465  0.0250 -5.3025 3  161.8844504  59516140431 328 2    30 229 2      C-13-H3C(O)CH3
  805301.8472  0.0261 -5.2939 3  161.8849504  59516140431 328 1    30 129 1      C-13-H3C(O)CH3
  805301.8472  0.0261 -5.2939 3  161.8849504  59516140431 428 1    30 229 1      C-13-H3C(O)CH3
  805351.3826  0.0098 -4.9025 3  554.4300364  595161404453016 3    442916 3      C-13-H3C(O)CH3
  805415.4779  0.4613 -5.9069 3 1354.6384B28  595161404704526 0    694623 0      C-13-H3C(O)CH3
  805517.5875  0.0046 -3.3944 3  534.7469696 -5951614044334 9 0    423310 0      C-13-H3C(O)CH3
  805517.5875  0.0046 -3.3944 3  534.7469696 -595161404433410 0    4233 9 0      C-13-H3C(O)CH3
  805602.0071  0.0052 -3.3946 3  534.7608696 -5951614044334 9 2    4233 9 2      C-13-H3C(O)CH3
  805622.3287  0.0053 -3.3944 3  534.7389696 -595161404433410 2    423310 2      C-13-H3C(O)CH3
  805623.5725  0.0054 -3.3944 3  534.7206696 -595161404433410 1    423310 1      C-13-H3C(O)CH3
  805637.5325  0.0180 -3.9970 3  398.9684632  595161404392217 2    382118 2      C-13-H3C(O)CH3
  805657.6946  0.0053 -3.3943 3  534.7502696 -5951614044334 9 1    4233 9 1      C-13-H3C(O)CH3
  805670.2885  0.0202 -4.2977 3  398.9451316  595161404392217 3    382118 3      C-13-H3C(O)CH3
  805676.7355  0.0194 -4.2977 3  398.9450316  595161404392217 4    382118 4      C-13-H3C(O)CH3
  805708.5691  0.0070 -3.6956 3  534.7345348  595161404433410 3    423310 3      C-13-H3C(O)CH3
  805729.1030  0.0073 -3.6954 3  534.7125348  595161404433410 4    423310 4      C-13-H3C(O)CH3
  805741.9570  0.0074 -3.6955 3  534.7641348  5951614044334 9 4    4233 9 4      C-13-H3C(O)CH3
  805751.6172  0.0151 -4.4485 3 1111.4630644  59516140480 576 4    79 475 4      C-13-H3C(O)CH3
  805751.6172  0.0151 -4.4485 3 1111.4630644  59516140480 476 4    79 575 4      C-13-H3C(O)CH3
  805751.6598  0.0151 -4.4461 3 1111.4630644  59516140480 576 3    79 475 3      C-13-H3C(O)CH3
  805751.6598  0.0151 -4.4461 3 1111.4630644  59516140480 476 3    79 575 3      C-13-H3C(O)CH3
  805762.9452  0.0070 -3.6954 3  534.7422348  5951614044334 9 3    4233 9 3      C-13-H3C(O)CH3
  805767.1397  0.0247 -4.3611 3 1111.4919C88  59516140480 576 1    79 575 1      C-13-H3C(O)CH3
  805767.1397  0.0247 -4.5513 3 1111.4919C88  59516140480 476 1    79 575 1      C-13-H3C(O)CH3
  805767.2901  0.0249 -4.4770 3 1111.4917C88  59516140480 476 2    79 575 2      C-13-H3C(O)CH3
  805767.2901  0.0249 -4.4305 3 1111.4917C88  59516140480 576 2    79 575 2      C-13-H3C(O)CH3
  805767.3054  0.0249 -4.4618 3 1111.4917C88 -59516140480 576 2    79 475 2      C-13-H3C(O)CH3
  805767.3054  0.0247 -4.3611 3 1111.4919C88 -59516140480 476 1    79 475 1      C-13-H3C(O)CH3
  805767.3054  0.0249 -4.4169 3 1111.4917C88 -59516140480 476 2    79 475 2      C-13-H3C(O)CH3
  805767.3054  0.0247 -4.5513 3 1111.4919C88 -59516140480 576 1    79 475 1      C-13-H3C(O)CH3
  805782.7707  0.0159 -4.3900 3 1111.5205C88  59516140480 476 0    79 475 0      C-13-H3C(O)CH3
  805782.7707  0.0159 -4.5102 3 1111.5205C88  59516140480 576 0    79 475 0      C-13-H3C(O)CH3
  805782.7707  0.0159 -4.3900 3 1111.5205C88  59516140480 576 0    79 575 0      C-13-H3C(O)CH3
  805782.7707  0.0159 -4.5102 3 1111.5205C88  59516140480 476 0    79 575 0      C-13-H3C(O)CH3
  805789.7831  0.0113 -3.9972 3  398.9968632  595161404392217 0    382118 0      C-13-H3C(O)CH3
  805809.0168  0.0104 -4.8284 3  285.1345536  595161404332112 0    321815 0      C-13-H3C(O)CH3
  805814.2353  0.0110 -4.8274 3  285.1101536  595161404332112 2    321815 2      C-13-H3C(O)CH3
  805823.4756  0.0127 -3.9969 3  398.9735632  595161404392217 1    382118 1      C-13-H3C(O)CH3
  805878.3677  0.0117 -5.1292 3  285.0914268  595161404332112 4    321815 4      C-13-H3C(O)CH3
  805884.5484  0.0108 -4.8294 3  285.1158536  595161404332112 1    321815 1      C-13-H3C(O)CH3
  805894.5863  0.0251 -4.3483 3 1076.5917B76  595161404731361 0    721260 0      C-13-H3C(O)CH3
  805894.5863  0.0251 -4.6782 3 1076.5917B76  595161404731361 0    721360 0      C-13-H3C(O)CH3
  805894.5863  0.0251 -4.3483 3 1076.5917B76  595161404731261 0    721360 0      C-13-H3C(O)CH3
  805894.5863  0.0251 -4.6782 3 1076.5917B76  595161404731261 0    721260 0      C-13-H3C(O)CH3
  805898.4202  0.0128 -5.1296 3  285.0914268  595161404332112 3    321815 3      C-13-H3C(O)CH3
  805927.7558  0.0348 -4.5504 3 1076.5791B76  595161404731361 2    721360 2      C-13-H3C(O)CH3
  805927.7558  0.0348 -4.5504 3 1076.5791B76  595161404731261 2    721260 2      C-13-H3C(O)CH3
  805927.7558  0.0348 -4.4240 3 1076.5791B76  595161404731361 2    721260 2      C-13-H3C(O)CH3
  805927.7558  0.0348 -4.4240 3 1076.5791B76  595161404731261 2    721360 2      C-13-H3C(O)CH3
  805927.7807  0.0359 -4.1816 3 1076.5792B76  595161404731361 1    721360 1      C-13-H3C(O)CH3
  805927.7807  0.0359 -4.1816 3 1076.5792B76  595161404731261 1    721260 1      C-13-H3C(O)CH3
  805942.7567  0.0121 -5.7185 3  291.9369536  595161404332311 1    322013 1      C-13-H3C(O)CH3
  805959.1124  0.0176 -5.7092 3  291.9145268  595161404332311 3    322013 3      C-13-H3C(O)CH3
  805960.9791  0.0317 -4.4826 3 1076.5666588  595161404731261 3    721260 3      C-13-H3C(O)CH3
  805960.9791  0.0317 -4.4826 3 1076.5666588  595161404731361 3    721360 3      C-13-H3C(O)CH3
  805961.0251  0.0317 -4.4898 3 1076.5665588  595161404731261 4    721260 4      C-13-H3C(O)CH3
  805961.0251  0.0317 -4.4898 3 1076.5665588  595161404731361 4    721360 4      C-13-H3C(O)CH3
  805995.5597  0.0357 -5.4721 3  992.2771A48  595161404652144 0    642143 0      C-13-H3C(O)CH3
  805995.5597  0.0357 -4.1976 3  992.2771A48  595161404652244 0    642143 0      C-13-H3C(O)CH3
  805995.5597  0.0357 -4.1976 3  992.2771A48  595161404652144 0    642243 0      C-13-H3C(O)CH3
  805995.5597  0.0357 -5.4721 3  992.2771A48  595161404652244 0    642243 0      C-13-H3C(O)CH3
  806034.4929  0.0362 -5.1659 3  992.2840A48  595161404652244 1    642143 1      C-13-H3C(O)CH3
  806034.4929  0.0362 -4.2219 3  992.2840A48  595161404652244 1    642243 1      C-13-H3C(O)CH3
  806034.4929  0.0362 -4.2219 3  992.2840A48  595161404652144 1    642143 1      C-13-H3C(O)CH3
  806034.4929  0.0362 -5.1659 3  992.2840A48  595161404652144 1    642243 1      C-13-H3C(O)CH3
  806035.8715  0.0369 -5.6858 3  992.2843A48  595161404652244 2    642243 2      C-13-H3C(O)CH3
  806035.8715  0.0369 -4.1887 3  992.2843A48  595161404652244 2    642143 2      C-13-H3C(O)CH3
  806035.8715  0.0369 -4.1887 3  992.2843A48  595161404652144 2    642243 2      C-13-H3C(O)CH3
  806035.8715  0.0369 -5.6858 3  992.2843A48  595161404652144 2    642143 2      C-13-H3C(O)CH3
  806057.6038  0.0238 -5.4713 3  161.8307504  59516140431 328 0    30 229 0      C-13-H3C(O)CH3
  806057.6038  0.0238 -5.4713 3  161.8307504  59516140431 428 0    30 129 0      C-13-H3C(O)CH3
  806057.6038  0.0238 -5.6632 3  161.8307504  59516140431 328 0    30 129 0      C-13-H3C(O)CH3
  806057.6038  0.0238 -5.6632 3  161.8307504  59516140431 428 0    30 229 0      C-13-H3C(O)CH3
  806074.8491  0.0374 -4.6116 3  992.2912524  595161404652144 3    642143 3      C-13-H3C(O)CH3
  806074.8491  0.0374 -4.6116 3  992.2912524  595161404652244 3    642243 3      C-13-H3C(O)CH3
  806074.8491  0.0374 -5.0480 3  992.2912524  595161404652144 3    642243 3      C-13-H3C(O)CH3
  806074.8491  0.0374 -5.0480 3  992.2912524  595161404652244 3    642143 3      C-13-H3C(O)CH3
  806074.9240  0.0374 -4.6309 3  992.2912524  595161404652244 4    642243 4      C-13-H3C(O)CH3
  806074.9240  0.0374 -4.9995 3  992.2912524  595161404652144 4    642243 4      C-13-H3C(O)CH3
  806074.9240  0.0374 -4.9995 3  992.2912524  595161404652244 4    642143 4      C-13-H3C(O)CH3
  806074.9240  0.0374 -4.6309 3  992.2912524  595161404652144 4    642143 4      C-13-H3C(O)CH3
  806077.0426  0.0063 -3.6605 3  554.4366728  595161404453015 0    442916 0      C-13-H3C(O)CH3
  806099.2249  0.0065 -4.3980 3  290.5830284  595161404351421 4    341322 4      C-13-H3C(O)CH3
  806099.2444  0.0065 -4.3980 3  290.5830284  595161404351521 4    341222 4      C-13-H3C(O)CH3
  806099.5792  0.0061 -4.3980 3  290.5830284  595161404351421 3    341322 3      C-13-H3C(O)CH3
  806099.5989  0.0061 -4.3980 3  290.5830284  595161404351521 3    341222 3      C-13-H3C(O)CH3
  806106.6756  0.0051 -3.4992 3  543.3997712 -595161404443213 0    433112 0      C-13-H3C(O)CH3
  806116.5777  0.0051 -3.4992 3  543.3994712  595161404443212 0    433113 0      C-13-H3C(O)CH3
  806189.1684  0.0059 -4.0971 3  290.6040568  595161404351421 2    341322 2      C-13-H3C(O)CH3
  806189.1877  0.0059 -4.0971 3  290.6040568  595161404351521 2    341222 2      C-13-H3C(O)CH3
  806204.8441  0.0059 -4.0970 3  290.6058568  595161404351421 1    341322 1      C-13-H3C(O)CH3
  806204.8623  0.0059 -4.0970 3  290.6058568  595161404351521 1    341222 1      C-13-H3C(O)CH3
  806214.0287  0.0062 -3.4992 3  543.3802712 -595161404443213 1    433113 1      C-13-H3C(O)CH3
  806218.4390  0.0052 -3.4994 3  543.4256712 -595161404443212 2    433112 2      C-13-H3C(O)CH3
  806241.7417  0.0053 -3.4992 3  543.4074712 -595161404443212 1    433112 1      C-13-H3C(O)CH3
  806256.2952  0.0059 -3.4989 3  543.3919712 -595161404443213 2    433113 2      C-13-H3C(O)CH3
  806294.3075  0.0054 -4.0970 3  290.6267568  595161404351421 0    341322 0      C-13-H3C(O)CH3
  806294.3253  0.0054 -4.0970 3  290.6267568  595161404351521 0    341222 0      C-13-H3C(O)CH3
  806315.6318  0.0111 -5.8942 3  291.9336536  595161404332311 2    322013 2      C-13-H3C(O)CH3
  806321.4103  0.0072 -3.8007 3  543.4061356  595161404443212 3    433112 3      C-13-H3C(O)CH3
  806349.2251  0.0066 -3.8004 3  543.4334356  595161404443212 4    433112 4      C-13-H3C(O)CH3
  806359.0499  0.0080 -3.7999 3  543.3723356  595161404443213 4    433113 4      C-13-H3C(O)CH3
  806363.3881  0.0817 -4.1888 3  728.1565840  595161404523122 0    513021 0      C-13-H3C(O)CH3
  806387.3201  0.0071 -3.8003 3  543.3997356  595161404443213 3    433113 3      C-13-H3C(O)CH3
  806406.3569  0.0103 -4.7480 3  291.9369536  595161404332310 1    322013 1      C-13-H3C(O)CH3
  806439.0516  0.0270 -4.0131 3  554.4300364  595161404453015 3    442916 3      C-13-H3C(O)CH3
  806455.1588  0.0117 -5.0086 3  291.9144268  595161404332310 4    322013 4      C-13-H3C(O)CH3
  806493.1903  0.0219 -4.2095 3  833.8973904  595161404563126 0    553025 0      C-13-H3C(O)CH3
  806505.1522  0.0266 -3.8307 3  554.4273728  595161404453015 1    442916 1      C-13-H3C(O)CH3
  806566.3442  0.0182 -5.1003 3  291.9145268  595161404332310 3    322013 3      C-13-H3C(O)CH3
  806598.3047  0.0211 -4.2098 3  833.8967904  595161404563126 1    553025 1      C-13-H3C(O)CH3
  806614.2386  0.0207 -4.2098 3  833.8962904  595161404563126 2    553025 2      C-13-H3C(O)CH3
  806622.6419  0.0095 -4.7055 3  291.9559536  595161404332310 0    322013 0      C-13-H3C(O)CH3
  806720.3707  0.0195 -4.5110 3  833.8956452  595161404563126 4    553025 4      C-13-H3C(O)CH3
  806721.3096  0.0195 -4.5110 3  833.8955452  595161404563126 3    553025 3      C-13-H3C(O)CH3
  806741.8686  0.0131 -4.7346 3  291.9336536  595161404332310 2    322013 2      C-13-H3C(O)CH3
  806860.3496  0.0464 -3.9715 3  554.4292728  595161404453015 2    442916 2      C-13-H3C(O)CH3
  806928.4631  0.0362 -4.1814 3 1006.8386A64  595161404662046 0    652145 0      C-13-H3C(O)CH3
  806928.4631  0.0362 -4.1808 3 1006.8386A64  595161404662146 0    652045 0      C-13-H3C(O)CH3
  806943.3940  0.0677 -4.1885 3  728.1349840  595161404523122 1    513021 1      C-13-H3C(O)CH3
  806962.4750  0.0112 -4.5103 3 1116.7560652 -59516140481 378 3    80 377 3      C-13-H3C(O)CH3
  806962.4750  0.0112 -4.4863 3 1116.7560652 -59516140481 478 4    80 377 4      C-13-H3C(O)CH3
  806962.4750  0.0112 -5.2850 3 1116.7560652 -59516140481 478 3    80 377 3      C-13-H3C(O)CH3
  806962.4750  0.0112 -5.4639 3 1116.7560652 -59516140481 378 4    80 377 4      C-13-H3C(O)CH3
  806962.6397  0.0112 -5.4639 3 1116.7560652  59516140481 478 4    80 477 4      C-13-H3C(O)CH3
  806962.6397  0.0112 -4.4863 3 1116.7560652  59516140481 378 4    80 477 4      C-13-H3C(O)CH3
  806962.6706  0.0112 -4.5103 3 1116.7560652  59516140481 478 3    80 477 3      C-13-H3C(O)CH3
  806962.6706  0.0112 -5.2850 3 1116.7560652  59516140481 378 3    80 477 3      C-13-H3C(O)CH3
  806967.2890  0.0367 -4.2135 3 1006.8446A64  595161404662046 1    652045 1      C-13-H3C(O)CH3
  806967.2890  0.0367 -4.2135 3 1006.8446A64  595161404662146 1    652145 1      C-13-H3C(O)CH3
  806967.2890  0.0367 -5.3188 3 1006.8446A64  595161404662046 1    652145 1      C-13-H3C(O)CH3
  806967.2890  0.0367 -5.3188 3 1006.8446A64  595161404662146 1    652045 1      C-13-H3C(O)CH3
  806968.4717  0.0373 -4.1946 3 1006.8449A64  595161404662146 2    652045 2      C-13-H3C(O)CH3
  806968.4717  0.0373 -4.1946 3 1006.8449A64  595161404662046 2    652145 2      C-13-H3C(O)CH3
  806968.4717  0.0373 -5.6843 3 1006.8449A64  595161404662146 2    652145 2      C-13-H3C(O)CH3
  806968.4717  0.0373 -5.6843 3 1006.8449A64  595161404662046 2    652045 2      C-13-H3C(O)CH3
  806984.2722  0.0147 -5.5795 3 1116.7767D04  59516140481 378 1    80 477 1      C-13-H3C(O)CH3
  806984.2722  0.0147 -4.1580 3 1116.7767D04  59516140481 478 1    80 477 1      C-13-H3C(O)CH3
  806984.3069  0.0159 -4.1532 3 1116.7763D04  59516140481 378 2    80 377 2      C-13-H3C(O)CH3
  806984.3069  0.0159 -4.1532 3 1116.7763D04  59516140481 478 2    80 477 2      C-13-H3C(O)CH3
  806984.3625  0.0147 -5.5795 3 1116.7767D04 -59516140481 478 1    80 377 1      C-13-H3C(O)CH3
  806984.3625  0.0159 -5.7289 3 1116.7763D04 -59516140481 378 2    80 477 2      C-13-H3C(O)CH3
  806984.3625  0.0159 -5.7289 3 1116.7763D04 -59516140481 478 2    80 377 2      C-13-H3C(O)CH3
  806984.3625  0.0147 -4.1580 3 1116.7767D04 -59516140481 378 1    80 377 1      C-13-H3C(O)CH3
  807005.8969  0.0110 -5.1747 3 1116.7970D04  59516140481 378 0    80 477 0      C-13-H3C(O)CH3
  807005.8969  0.0110 -4.1841 3 1116.7970D04  59516140481 478 0    80 477 0      C-13-H3C(O)CH3
  807005.8969  0.0110 -5.1747 3 1116.7970D04  59516140481 478 0    80 377 0      C-13-H3C(O)CH3
  807005.8969  0.0110 -4.1841 3 1116.7970D04  59516140481 378 0    80 377 0      C-13-H3C(O)CH3
  807007.3409  0.0379 -4.6099 3 1006.8510532  595161404662146 3    652145 3      C-13-H3C(O)CH3
  807007.3409  0.0379 -5.0742 3 1006.8510532  595161404662046 3    652145 3      C-13-H3C(O)CH3
  807007.3409  0.0379 -5.0742 3 1006.8510532  595161404662146 3    652045 3      C-13-H3C(O)CH3
  807007.3409  0.0379 -4.6099 3 1006.8510532  595161404662046 3    652045 3      C-13-H3C(O)CH3
  807007.4142  0.0379 -5.1968 3 1006.8510532  595161404662046 4    652045 4      C-13-H3C(O)CH3
  807007.4142  0.0379 -4.5747 3 1006.8510532  595161404662146 4    652045 4      C-13-H3C(O)CH3
  807007.4142  0.0379 -5.1968 3 1006.8510532  595161404662146 4    652145 4      C-13-H3C(O)CH3
  807007.4142  0.0379 -4.5747 3 1006.8510532  595161404662046 4    652145 4      C-13-H3C(O)CH3
  807029.1438  0.0249 -4.7106 3 1086.1921B92  595161404741263 0    731262 0      C-13-H3C(O)CH3
  807029.1438  0.0249 -4.3378 3 1086.1921B92  595161404741263 0    731162 0      C-13-H3C(O)CH3
  807029.1438  0.0249 -4.3378 3 1086.1921B92  595161404741163 0    731262 0      C-13-H3C(O)CH3
  807029.1438  0.0249 -4.7106 3 1086.1921B92  595161404741163 0    731162 0      C-13-H3C(O)CH3
  807059.3157  0.0376 -4.1854 3 1086.1758B92  595161404741163 2    731262 2      C-13-H3C(O)CH3
  807059.3157  0.0376 -4.1854 3 1086.1758B92  595161404741263 2    731162 2      C-13-H3C(O)CH3
  807059.3848  0.0391 -5.7978 3 1086.1760B92  595161404741263 1    731162 1      C-13-H3C(O)CH3
  807059.3848  0.0391 -5.7978 3 1086.1760B92  595161404741163 1    731262 1      C-13-H3C(O)CH3
  807059.3848  0.0391 -4.1950 3 1086.1760B92  595161404741163 1    731162 1      C-13-H3C(O)CH3
  807059.3848  0.0391 -4.1950 3 1086.1760B92  595161404741263 1    731262 1      C-13-H3C(O)CH3
  807089.5822  0.0307 -4.9682 3 1086.1597596  595161404741263 3    731162 3      C-13-H3C(O)CH3
  807089.5822  0.0307 -4.6584 3 1086.1597596  595161404741163 3    731162 3      C-13-H3C(O)CH3
  807089.5822  0.0307 -4.6584 3 1086.1597596  595161404741263 3    731262 3      C-13-H3C(O)CH3
  807089.5822  0.0307 -4.9682 3 1086.1597596  595161404741163 3    731262 3      C-13-H3C(O)CH3
  807089.6197  0.0307 -5.3808 3 1086.1597596  595161404741263 4    731162 4      C-13-H3C(O)CH3
  807089.6197  0.0307 -5.3808 3 1086.1597596  595161404741163 4    731262 4      C-13-H3C(O)CH3
  807089.6197  0.0307 -4.5443 3 1086.1597596  595161404741263 4    731262 4      C-13-H3C(O)CH3
  807089.6197  0.0307 -4.5443 3 1086.1597596  595161404741163 4    731162 4      C-13-H3C(O)CH3
  807137.3347  0.1120 -4.1884 3  728.1268840  595161404523122 2    513021 2      C-13-H3C(O)CH3
  807281.6024  0.4848 -5.9045 3 1354.6356B28  595161404704525 0    694624 0      C-13-H3C(O)CH3
  807303.7793  0.5840 -6.0930 3 1354.6714B28  595161404704525 1    694624 1      C-13-H3C(O)CH3
  807706.8748  0.0976 -4.4891 3  728.1054420  595161404523122 4    513021 4      C-13-H3C(O)CH3
  807731.9401  0.1000 -4.4890 3  728.1050420  595161404523122 3    513021 3      C-13-H3C(O)CH3
  807747.9367  0.0680 -4.5351 3  554.4124364  595161404453015 4    442916 4      C-13-H3C(O)CH3
  807855.7724  0.0104 -6.0080 3  195.8984228  595161404281712 4    271215 4      C-13-H3C(O)CH3
  807862.8219  0.0088 -6.0080 3  195.8983228  595161404281712 3    271215 3      C-13-H3C(O)CH3
  807902.0894  0.0362 -5.9670 3 1020.8397A80  595161404671948 0    661947 0      C-13-H3C(O)CH3
  807902.0894  0.0362 -4.1937 3 1020.8397A80  595161404672048 0    661947 0      C-13-H3C(O)CH3
  807902.0894  0.0362 -4.1937 3 1020.8397A80  595161404671948 0    662047 0      C-13-H3C(O)CH3
  807902.0894  0.0362 -5.9670 3 1020.8397A80  595161404672048 0    662047 0      C-13-H3C(O)CH3
  807940.8850  0.0368 -4.3973 3 1020.8447A80  595161404672048 1    662047 1      C-13-H3C(O)CH3
  807940.8850  0.0368 -4.6015 3 1020.8447A80  595161404672048 1    661947 1      C-13-H3C(O)CH3
  807940.8850  0.0368 -4.6015 3 1020.8447A80  595161404671948 1    662047 1      C-13-H3C(O)CH3
  807940.8850  0.0368 -4.3973 3 1020.8447A80  595161404671948 1    661947 1      C-13-H3C(O)CH3
  807941.8820  0.0373 -5.6804 3 1020.8449A80  595161404671948 2    662047 2      C-13-H3C(O)CH3
  807941.8820  0.0373 -4.2006 3 1020.8449A80  595161404671948 2    661947 2      C-13-H3C(O)CH3
  807941.8820  0.0373 -5.6804 3 1020.8449A80  595161404672048 2    661947 2      C-13-H3C(O)CH3
  807941.8820  0.0373 -4.2006 3 1020.8449A80  595161404672048 2    662047 2      C-13-H3C(O)CH3
  807980.7198  0.0382 -4.4877 3 1020.8499540  595161404672048 3    661947 3      C-13-H3C(O)CH3
  807980.7198  0.0382 -4.4877 3 1020.8499540  595161404671948 3    662047 3      C-13-H3C(O)CH3
  807980.7915  0.0382 -4.6786 3 1020.8499540  595161404672048 4    662047 4      C-13-H3C(O)CH3
  807980.7915  0.0382 -4.6358 3 1020.8499540  595161404672048 4    661947 4      C-13-H3C(O)CH3
  807980.7915  0.0382 -5.0261 3 1020.8499540  595161404671948 4    661947 4      C-13-H3C(O)CH3
  807980.7915  0.0382 -4.9361 3 1020.8499540  595161404671948 4    662047 4      C-13-H3C(O)CH3
  807984.0133  0.0089 -5.7071 3  195.9053456  595161404281712 2    271215 2      C-13-H3C(O)CH3
  808027.6858  0.0088 -5.7066 3  195.9085456  595161404281712 1    271215 1      C-13-H3C(O)CH3
  808150.8893  0.0090 -5.7064 3  195.9155456  595161404281712 0    271215 0      C-13-H3C(O)CH3
  808176.8880  0.0254 -4.1900 3 1095.2554C08  595161404751065 0    741064 0      C-13-H3C(O)CH3
  808176.8880  0.0254 -4.1900 3 1095.2554C08  595161404751165 0    741164 0      C-13-H3C(O)CH3
  808178.1958  0.6933 -5.8489 3 1194.4530532  595161404664125 3    654224 3      C-13-H3C(O)CH3
  808187.0995  0.0087 -5.4438 3 1121.5243660  59516140482 280 4    81 279 4      C-13-H3C(O)CH3
  808187.0995  0.0087 -4.4843 3 1121.5243660  59516140482 280 4    81 379 4      C-13-H3C(O)CH3
  808187.0995  0.0087 -5.4438 3 1121.5243660  59516140482 380 4    81 379 4      C-13-H3C(O)CH3
  808187.0995  0.0087 -4.4843 3 1121.5243660  59516140482 380 4    81 279 4      C-13-H3C(O)CH3
  808187.1042  0.0087 -4.8939 3 1121.5242660  59516140482 380 3    81 279 3      C-13-H3C(O)CH3
  808187.1042  0.0087 -4.6268 3 1121.5242660  59516140482 380 3    81 379 3      C-13-H3C(O)CH3
  808187.1042  0.0087 -4.6268 3 1121.5242660  59516140482 280 3    81 279 3      C-13-H3C(O)CH3
  808187.1042  0.0087 -4.8939 3 1121.5242660  59516140482 280 3    81 379 3      C-13-H3C(O)CH3
  808203.2185  0.0409 -4.6745 3 1095.2354C08  595161404751065 2    741164 2      C-13-H3C(O)CH3
  808203.2185  0.0409 -4.3571 3 1095.2354C08  595161404751065 2    741064 2      C-13-H3C(O)CH3
  808203.2185  0.0409 -4.3571 3 1095.2354C08  595161404751165 2    741164 2      C-13-H3C(O)CH3
  808203.2185  0.0409 -4.6745 3 1095.2354C08  595161404751165 2    741064 2      C-13-H3C(O)CH3
  808203.2923  0.0426 -4.2121 3 1095.2355C08  595161404751165 1    741064 1      C-13-H3C(O)CH3
  808203.2923  0.0426 -5.4270 3 1095.2355C08  595161404751165 1    741164 1      C-13-H3C(O)CH3
  808203.2923  0.0426 -5.4270 3 1095.2355C08  595161404751065 1    741064 1      C-13-H3C(O)CH3
  808203.2923  0.0426 -4.2121 3 1095.2355C08  595161404751065 1    741164 1      C-13-H3C(O)CH3
  808211.1064  0.0137 -4.2459 3 1121.5290D20 -59516140482 380 2    81 379 2      C-13-H3C(O)CH3
  808211.1064  0.0117 -4.8656 3 1121.5295D20 -59516140482 380 1    81 379 1      C-13-H3C(O)CH3
  808211.1064  0.0117 -4.2281 3 1121.5295D20 -59516140482 380 1    81 279 1      C-13-H3C(O)CH3
  808211.1064  0.0117 -4.2281 3 1121.5295D20 -59516140482 280 1    81 379 1      C-13-H3C(O)CH3
  808211.1064  0.0137 -4.7958 3 1121.5290D20 -59516140482 280 2    81 379 2      C-13-H3C(O)CH3
  808211.1064  0.0137 -4.2459 3 1121.5290D20 -59516140482 280 2    81 279 2      C-13-H3C(O)CH3
  808211.1064  0.0137 -4.7958 3 1121.5290D20 -59516140482 380 2    81 279 2      C-13-H3C(O)CH3
  808211.1064  0.0117 -4.8656 3 1121.5295D20 -59516140482 280 1    81 279 1      C-13-H3C(O)CH3
  808229.6446  0.0298 -5.0400 3 1095.2154604  595161404751065 3    741164 3      C-13-H3C(O)CH3
  808229.6446  0.0298 -4.6301 3 1095.2154604  595161404751065 3    741064 3      C-13-H3C(O)CH3
  808229.6446  0.0298 -4.6301 3 1095.2154604  595161404751165 3    741164 3      C-13-H3C(O)CH3
  808229.6446  0.0298 -5.0400 3 1095.2154604  595161404751165 3    741064 3      C-13-H3C(O)CH3
  808229.6717  0.0298 -4.4874 3 1095.2154604  595161404751065 4    741164 4      C-13-H3C(O)CH3
  808229.6717  0.0298 -4.4874 3 1095.2154604  595161404751165 4    741064 4      C-13-H3C(O)CH3
  808234.8402  0.0089 -4.2761 3 1121.5343D20 -59516140482 380 0    81 279 0      C-13-H3C(O)CH3
  808234.8402  0.0089 -4.7029 3 1121.5343D20 -59516140482 280 0    81 279 0      C-13-H3C(O)CH3
  808234.9576  0.0089 -4.2761 3 1121.5343D20  59516140482 280 0    81 379 0      C-13-H3C(O)CH3
  808234.9576  0.0089 -4.7029 3 1121.5343D20  59516140482 380 0    81 379 0      C-13-H3C(O)CH3
  808314.5013  0.5367 -5.8837 3 1194.4495532  595161404664125 4    654224 4      C-13-H3C(O)CH3
  808430.8498  0.0058 -3.2396 3  530.6977664 -5951614044139 2 0    4038 3 0      C-13-H3C(O)CH3
  808430.8498  0.0058 -3.2396 3  530.6977664 -5951614044139 3 0    4038 2 0      C-13-H3C(O)CH3
  808549.4718  0.0059 -3.2394 3  530.6495664 -5951614044139 3 2    4038 3 2      C-13-H3C(O)CH3
  808611.4347  0.0064 -3.2394 3  530.6969664 -5951614044139 2 2    4038 2 2      C-13-H3C(O)CH3
  808640.2094  0.0061 -3.2393 3  530.6566664 -5951614044139 3 1    4038 3 1      C-13-H3C(O)CH3
  808640.2094  0.0061 -3.2394 3  530.7226664 -5951614044139 2 1    4038 2 1      C-13-H3C(O)CH3
  808758.0852  0.0091 -3.5401 3  530.6085332  5951614044139 3 4    4038 3 4      C-13-H3C(O)CH3
  808758.5053  0.0085 -3.5402 3  530.6743332  5951614044139 2 3    4038 2 3      C-13-H3C(O)CH3
  808819.8224  0.0088 -3.5401 3  530.6558332  5951614044139 3 3    4038 3 3      C-13-H3C(O)CH3
  808820.8516  0.0092 -3.5402 3  530.7217332  5951614044139 2 4    4038 2 4      C-13-H3C(O)CH3
  808870.5538  0.4830 -5.5594 3 1194.4170A64  595161404664125 1    654224 1      C-13-H3C(O)CH3
  808908.5415  0.0358 -4.2165 3 1034.2853A96  595161404681950 0    671849 0      C-13-H3C(O)CH3
  808908.5415  0.0358 -5.4556 3 1034.2853A96  595161404681950 0    671949 0      C-13-H3C(O)CH3
  808908.5415  0.0358 -5.4556 3 1034.2853A96  595161404681850 0    671849 0      C-13-H3C(O)CH3
  808908.5415  0.0358 -4.2165 3 1034.2853A96  595161404681850 0    671949 0      C-13-H3C(O)CH3
  808947.3126  0.0365 -4.6287 3 1034.2889A96  595161404681950 1    671949 1      C-13-H3C(O)CH3
  808947.3126  0.0365 -4.3901 3 1034.2889A96  595161404681850 1    671949 1      C-13-H3C(O)CH3
  808947.3126  0.0365 -4.6287 3 1034.2889A96  595161404681850 1    671849 1      C-13-H3C(O)CH3
  808947.3126  0.0365 -4.3901 3 1034.2889A96  595161404681950 1    671849 1      C-13-H3C(O)CH3
  808948.1290  0.0369 -5.1414 3 1034.2891A96  595161404681950 2    671849 2      C-13-H3C(O)CH3
  808948.1290  0.0369 -5.1414 3 1034.2891A96  595161404681850 2    671949 2      C-13-H3C(O)CH3
  808948.1290  0.0369 -4.2439 3 1034.2891A96  595161404681850 2    671849 2      C-13-H3C(O)CH3
  808948.1290  0.0369 -4.2439 3 1034.2891A96  595161404681950 2    671949 2      C-13-H3C(O)CH3
  808986.9411  0.0381 -4.8802 3 1034.2927548  595161404681950 3    671849 3      C-13-H3C(O)CH3
  808986.9411  0.0381 -4.7225 3 1034.2927548  595161404681950 3    671949 3      C-13-H3C(O)CH3
  808986.9411  0.0381 -4.8802 3 1034.2927548  595161404681850 3    671949 3      C-13-H3C(O)CH3
  808986.9411  0.0381 -4.7225 3 1034.2927548  595161404681850 3    671849 3      C-13-H3C(O)CH3
  808987.0111  0.0382 -4.4960 3 1034.2927548  595161404681950 4    671949 4      C-13-H3C(O)CH3
  808987.0111  0.0382 -4.4960 3 1034.2927548  595161404681850 4    671849 4      C-13-H3C(O)CH3
  809008.4764  0.6296 -5.5544 3 1194.4130A64  595161404664125 2    654224 2      C-13-H3C(O)CH3
  809337.0273  0.0263 -4.2760 3 1103.7827C24 -595161404761067 0    751066 0      C-13-H3C(O)CH3
  809337.0273  0.0263 -4.9242 3 1103.7827C24 -59516140476 967 0    751066 0      C-13-H3C(O)CH3
  809337.0273  0.0263 -4.9242 3 1103.7827C24 -595161404761067 0    75 966 0      C-13-H3C(O)CH3
  809337.0273  0.0263 -4.2760 3 1103.7827C24 -59516140476 967 0    75 966 0      C-13-H3C(O)CH3
  809358.9283  0.0441 -4.7505 3 1103.7588C24  595161404761067 2    751066 2      C-13-H3C(O)CH3
  809358.9283  0.0441 -4.3268 3 1103.7588C24  59516140476 967 2    751066 2      C-13-H3C(O)CH3
  809358.9283  0.0441 -4.3268 3 1103.7588C24  595161404761067 2    75 966 2      C-13-H3C(O)CH3
  809358.9283  0.0441 -4.7505 3 1103.7588C24  59516140476 967 2    75 966 2      C-13-H3C(O)CH3
  809358.9691  0.0457 -4.3911 3 1103.7590C24  59516140476 967 1    751066 1      C-13-H3C(O)CH3
  809358.9691  0.0457 -4.6155 3 1103.7590C24  59516140476 967 1    75 966 1      C-13-H3C(O)CH3
  809358.9691  0.0457 -4.3911 3 1103.7590C24  595161404761067 1    75 966 1      C-13-H3C(O)CH3
  809358.9691  0.0457 -4.6155 3 1103.7590C24  595161404761067 1    751066 1      C-13-H3C(O)CH3
  809380.5228  0.0288 -4.9252 3 1103.7351612  59516140476 967 3    75 966 3      C-13-H3C(O)CH3
  809380.5228  0.0288 -4.6869 3 1103.7351612  59516140476 967 3    751066 3      C-13-H3C(O)CH3
  809380.5228  0.0288 -4.6869 3 1103.7351612  595161404761067 3    75 966 3      C-13-H3C(O)CH3
  809380.5228  0.0288 -4.9252 3 1103.7351612  595161404761067 3    751066 3      C-13-H3C(O)CH3
  809380.5377  0.0288 -4.4903 3 1103.7350612  595161404761067 4    751066 4      C-13-H3C(O)CH3
  809380.5377  0.0288 -4.4903 3 1103.7350612  59516140476 967 4    75 966 4      C-13-H3C(O)CH3
  809427.3814  0.0096 -5.7918 3 1125.7708668  59516140483 182 3    82 281 3      C-13-H3C(O)CH3
  809427.3814  0.0096 -4.4540 3 1125.7708668  59516140483 182 3    82 181 3      C-13-H3C(O)CH3
  809427.3814  0.0096 -4.4540 3 1125.7708668  59516140483 282 3    82 281 3      C-13-H3C(O)CH3
  809427.3814  0.0096 -5.7918 3 1125.7708668  59516140483 282 3    82 181 3      C-13-H3C(O)CH3
  809427.4017  0.0096 -5.6756 3 1125.7709668  59516140483 182 4    82 181 4      C-13-H3C(O)CH3
  809427.4017  0.0096 -4.4602 3 1125.7709668  59516140483 282 4    82 181 4      C-13-H3C(O)CH3
  809427.4017  0.0096 -4.4602 3 1125.7709668  59516140483 182 4    82 281 4      C-13-H3C(O)CH3
  809427.4017  0.0096 -5.6756 3 1125.7709668  59516140483 282 4    82 281 4      C-13-H3C(O)CH3
  809446.5594  0.0158 -4.1350 3 1125.7496D36  59516140483 182 2    82 281 2      C-13-H3C(O)CH3
  809446.5886  0.0158 -4.1350 3 1125.7496D36 -59516140483 282 2    82 181 2      C-13-H3C(O)CH3
  809446.5886  0.0128 -4.4197 3 1125.7500D36 -59516140483 282 1    82 181 1      C-13-H3C(O)CH3
  809446.5886  0.0128 -4.4497 3 1125.7500D36 -59516140483 182 1    82 181 1      C-13-H3C(O)CH3
  809446.7209  0.0128 -4.4497 3 1125.7500D36  59516140483 282 1    82 281 1      C-13-H3C(O)CH3
  809446.7209  0.0128 -4.4197 3 1125.7500D36  59516140483 182 1    82 281 1      C-13-H3C(O)CH3
  809465.7465  0.0095 -6.0176 3 1125.7288D36 -59516140483 282 0    82 181 0      C-13-H3C(O)CH3
  809465.7465  0.0095 -6.0176 3 1125.7288D36 -59516140483 182 0    82 281 0      C-13-H3C(O)CH3
  809465.8481  0.0095 -4.1391 3 1125.7288D36  59516140483 182 0    82 181 0      C-13-H3C(O)CH3
  809465.8481  0.0095 -4.1391 3 1125.7288D36  59516140483 282 0    82 281 0      C-13-H3C(O)CH3
  809545.4257  0.0169 -5.4409 3  250.0063244  5951614043024 6 4    2921 8 4      C-13-H3C(O)CH3
  809558.1955  0.0146 -5.4464 3  249.9911244  5951614043024 6 3    2921 8 3      C-13-H3C(O)CH3
  809636.9446  0.5094 -5.5470 3 1194.3789A64  595161404664125 0    654224 0      C-13-H3C(O)CH3
  809779.8840  0.5183 -5.9944 3 1396.3946B44  595161404714626 0    704723 0      C-13-H3C(O)CH3
  809794.4321  0.0073 -4.5291 3  257.3364276  595161404341223 4    33 924 4      C-13-H3C(O)CH3
  809794.4321  0.0073 -4.5291 3  257.3364276  595161404341123 4    331024 4      C-13-H3C(O)CH3
  809794.9042  0.0064 -4.5291 3  257.3364276  595161404341123 3    331024 3      C-13-H3C(O)CH3
  809794.9042  0.0064 -4.5292 3  257.3364276  595161404341223 3    33 924 3      C-13-H3C(O)CH3
  809827.2951  0.0131 -5.1406 3  250.0198488  5951614043024 6 1    2921 8 1      C-13-H3C(O)CH3
  809939.8235  0.0145 -5.4480 3  249.9776244  5951614043024 7 3    2921 9 3      C-13-H3C(O)CH3
  809942.0665  0.0349 -4.5810 3 1047.1792B12  595161404691852 0    681851 0      C-13-H3C(O)CH3
  809942.0665  0.0349 -4.4296 3 1047.1792B12  595161404691852 0    681751 0      C-13-H3C(O)CH3
  809942.0665  0.0349 -4.4296 3 1047.1792B12  595161404691752 0    681851 0      C-13-H3C(O)CH3
  809942.0665  0.0349 -4.5810 3 1047.1792B12  595161404691752 0    681751 0      C-13-H3C(O)CH3
  809954.2708  0.0149 -5.4358 3  249.9624244  5951614043024 7 4    2921 9 4      C-13-H3C(O)CH3
  809980.7409  0.0358 -4.2650 3 1047.1812B12  595161404691852 1    681751 1      C-13-H3C(O)CH3
  809980.7409  0.0358 -5.0411 3 1047.1812B12  595161404691852 1    681851 1      C-13-H3C(O)CH3
  809980.7409  0.0358 -5.0411 3 1047.1812B12  595161404691752 1    681751 1      C-13-H3C(O)CH3
  809980.7409  0.0358 -4.2650 3 1047.1812B12  595161404691752 1    681851 1      C-13-H3C(O)CH3
  809981.3804  0.0361 -4.1980 3 1047.1813B12  595161404691852 2    681751 2      C-13-H3C(O)CH3
  809981.3804  0.0361 -5.5852 3 1047.1813B12  595161404691752 2    681751 2      C-13-H3C(O)CH3
  809981.3804  0.0361 -4.2159 3 1047.1813B12  595161404691752 2    681851 2      C-13-H3C(O)CH3
  809995.7979  0.0060 -4.2283 3  257.3490552  595161404341123 2    331024 2      C-13-H3C(O)CH3
  809995.7979  0.0060 -4.2282 3  257.3490552  595161404341223 2    33 924 2      C-13-H3C(O)CH3
  810006.7166  0.0062 -4.2278 3  257.3502552  595161404341223 1    33 924 1      C-13-H3C(O)CH3
  810006.7166  0.0062 -4.2282 3  257.3502552  595161404341123 1    331024 1      C-13-H3C(O)CH3
  810020.0946  0.0379 -4.7089 3 1047.1833556  595161404691752 3    681851 3      C-13-H3C(O)CH3
  810020.0946  0.0379 -4.9148 3 1047.1833556  595161404691852 3    681851 3      C-13-H3C(O)CH3
  810020.0946  0.0379 -4.7089 3 1047.1833556  595161404691852 3    681751 3      C-13-H3C(O)CH3
  810020.0946  0.0379 -4.9148 3 1047.1833556  595161404691752 3    681751 3      C-13-H3C(O)CH3
  810020.1627  0.0379 -4.5225 3 1047.1833556  595161404691852 4    681851 4      C-13-H3C(O)CH3
  810020.1627  0.0379 -4.5225 3 1047.1833556  595161404691752 4    681751 4      C-13-H3C(O)CH3
  810020.1627  0.0379 -5.7721 3 1047.1833556  595161404691752 4    681851 4      C-13-H3C(O)CH3
  810020.1627  0.0379 -5.7721 3 1047.1833556  595161404691852 4    681751 4      C-13-H3C(O)CH3
  810169.5181  0.0131 -5.1475 3  250.0231488  5951614043024 6 2    2921 8 2      C-13-H3C(O)CH3
  810190.8247  0.5607 -5.2989 3  979.6029484  595161404603624 3    593723 3      C-13-H3C(O)CH3
  810197.0998  0.0130 -5.1442 3  250.0074488  5951614043024 7 2    2921 9 2      C-13-H3C(O)CH3
  810207.2581  0.0059 -4.2277 3  257.3628552  595161404341123 0    331024 0      C-13-H3C(O)CH3
  810207.2581  0.0059 -4.2277 3  257.3628552  595161404341223 0    33 924 0      C-13-H3C(O)CH3
  810213.7654  0.0126 -5.1389 3  249.9914488  5951614043024 7 1    2921 9 1      C-13-H3C(O)CH3
  810252.6239  0.0051 -3.2993 3  535.0991680 -5951614044237 6 0    4136 5 0      C-13-H3C(O)CH3
  810252.6239  0.0051 -3.2993 3  535.0991680 -5951614044237 5 0    4136 6 0      C-13-H3C(O)CH3
  810306.5974  0.5168 -5.3025 3  979.5996484  595161404603624 4    593723 4      C-13-H3C(O)CH3
  810329.3381  0.0709 -5.9967 3  559.3856364  595161404453115 4    443014 4      C-13-H3C(O)CH3
  810340.1115  0.0054 -3.2993 3  535.0717680 -5951614044237 6 2    4136 6 2      C-13-H3C(O)CH3
  810368.3988  0.0056 -3.2992 3  535.0981680 -5951614044237 5 2    4136 5 2      C-13-H3C(O)CH3
  810400.2811  0.0132 -5.1408 3  250.0381488  5951614043024 7 0    2921 8 0      C-13-H3C(O)CH3
  810402.5294  0.0054 -3.2991 3  535.0613680 -5951614044237 6 1    4136 6 1      C-13-H3C(O)CH3
  810429.9533  0.0056 -3.2991 3  535.1085680 -5951614044237 5 1    4136 5 1      C-13-H3C(O)CH3
  810490.1893  0.0078 -3.6001 3  535.0339340  5951614044237 6 4    4136 6 4      C-13-H3C(O)CH3
  810504.1422  0.0130 -4.0456 3  403.0615632  595161404392416 0    382117 0      C-13-H3C(O)CH3
  810509.1684  0.0272 -4.3496 3 1111.7749C40 -59516140477 969 0    76 868 0      C-13-H3C(O)CH3
  810509.1684  0.0272 -4.6982 3 1111.7749C40 -59516140477 969 0    76 968 0      C-13-H3C(O)CH3
  810509.1684  0.0272 -4.6982 3 1111.7749C40 -59516140477 869 0    76 868 0      C-13-H3C(O)CH3
  810509.1684  0.0272 -4.3496 3 1111.7749C40 -59516140477 869 0    76 968 0      C-13-H3C(O)CH3
  810512.0844  0.0131 -5.1408 3  250.0344488  5951614043024 6 0    2921 9 0      C-13-H3C(O)CH3
  810516.9459  0.0076 -3.6001 3  535.0811340  5951614044237 5 3    4136 5 3      C-13-H3C(O)CH3
  810517.7838  0.0078 -3.6001 3  535.0603340  5951614044237 6 3    4136 6 3      C-13-H3C(O)CH3
  810526.0543  0.0477 -4.1964 3 1111.7475C40  59516140477 869 1    76 968 1      C-13-H3C(O)CH3
  810526.0543  0.0477 -5.9440 3 1111.7475C40  59516140477 969 1    76 968 1      C-13-H3C(O)CH3
  810526.0543  0.0477 -4.1964 3 1111.7475C40  59516140477 969 1    76 868 1      C-13-H3C(O)CH3
  810526.0543  0.0477 -5.9440 3 1111.7475C40  59516140477 869 1    76 868 1      C-13-H3C(O)CH3
  810526.0758  0.0461 -4.2004 3 1111.7474C40  59516140477 869 2    76 868 2      C-13-H3C(O)CH3
  810526.0758  0.0461 -5.7668 3 1111.7474C40  59516140477 969 2    76 868 2      C-13-H3C(O)CH3
  810526.0758  0.0461 -4.2004 3 1111.7474C40  59516140477 969 2    76 968 2      C-13-H3C(O)CH3
  810526.0758  0.0461 -5.7668 3 1111.7474C40  59516140477 869 2    76 968 2      C-13-H3C(O)CH3
  810541.7869  0.0275 -5.4537 3 1111.7199620  59516140477 969 3    76 868 3      C-13-H3C(O)CH3
  810541.7869  0.0275 -5.4537 3 1111.7199620  59516140477 869 3    76 968 3      C-13-H3C(O)CH3
  810541.7869  0.0275 -4.5397 3 1111.7199620  59516140477 969 3    76 968 3      C-13-H3C(O)CH3
  810541.7869  0.0275 -4.5397 3 1111.7199620  59516140477 869 3    76 868 3      C-13-H3C(O)CH3
  810541.7876  0.0276 -5.4130 3 1111.7199620  59516140477 869 4    76 968 4      C-13-H3C(O)CH3
  810541.7876  0.0276 -4.5449 3 1111.7199620  59516140477 969 4    76 968 4      C-13-H3C(O)CH3
  810541.7876  0.0276 -4.5449 3 1111.7199620  59516140477 869 4    76 868 4      C-13-H3C(O)CH3
  810541.7876  0.0276 -5.4130 3 1111.7199620  59516140477 969 4    76 868 4      C-13-H3C(O)CH3
  810544.9313  0.0078 -3.6001 3  535.1073340  5951614044237 5 4    4136 5 4      C-13-H3C(O)CH3
  810587.3763  0.0124 -4.0453 3  403.0392632  595161404392416 1    382117 1      C-13-H3C(O)CH3
  810673.2110  0.0356 -3.9660 3  623.6215776  595161404483019 0    472918 0      C-13-H3C(O)CH3
  810687.0542  0.0160 -4.5555 3 1129.4996676 -59516140484 084 4    83 083 4      C-13-H3C(O)CH3
  810687.0542  0.0160 -4.8805 3 1129.4996676 -59516140484 184 4    83 083 4      C-13-H3C(O)CH3
  810687.0542  0.0160 -4.6010 3 1129.4996676 -59516140484 184 3    83 183 3      C-13-H3C(O)CH3
  810687.0542  0.0160 -4.6010 3 1129.4996676 -59516140484 084 3    83 083 3      C-13-H3C(O)CH3
  810687.0778  0.0160 -4.6188 3 1129.4996676  59516140484 184 4    83 183 4      C-13-H3C(O)CH3
  810687.0778  0.0160 -5.0270 3 1129.4996676  59516140484 084 4    83 183 4      C-13-H3C(O)CH3
  810687.0985  0.0160 -4.9149 3 1129.4996676  59516140484 084 3    83 183 3      C-13-H3C(O)CH3
  810687.0985  0.0160 -4.9149 3 1129.4996676  59516140484 184 3    83 083 3      C-13-H3C(O)CH3
  810689.6602  0.0276 -4.5432 3 1129.4373D52 -59516140484 084 2    83 183 2      C-13-H3C(O)CH3
  810689.6602  0.0215 -5.2914 3 1129.4374D52 -59516140484 084 1    83 083 1      C-13-H3C(O)CH3
  810689.6602  0.0215 -4.1589 3 1129.4374D52 -59516140484 084 1    83 183 1      C-13-H3C(O)CH3
  810689.6602  0.0276 -4.3387 3 1129.4373D52 -59516140484 084 2    83 083 2      C-13-H3C(O)CH3
  810689.6602  0.0215 -4.1589 3 1129.4374D52 -59516140484 184 1    83 083 1      C-13-H3C(O)CH3
  810689.6602  0.0215 -5.2914 3 1129.4374D52 -59516140484 184 1    83 183 1      C-13-H3C(O)CH3
  810689.6602  0.0276 -4.3387 3 1129.4373D52 -59516140484 184 2    83 183 2      C-13-H3C(O)CH3
  810689.6602  0.0276 -4.5432 3 1129.4373D52 -59516140484 184 2    83 083 2      C-13-H3C(O)CH3
  810692.2815  0.0175 -5.9120 3 1129.3752D52  59516140484 084 0    83 183 0      C-13-H3C(O)CH3
  810692.2815  0.0175 -4.1351 3 1129.3752D52  59516140484 184 0    83 183 0      C-13-H3C(O)CH3
  810692.4844  0.0175 -5.9120 3 1129.3752D52 -59516140484 184 0    83 083 0      C-13-H3C(O)CH3
  810692.4844  0.0175 -4.1351 3 1129.3752D52 -59516140484 084 0    83 083 0      C-13-H3C(O)CH3
  810692.6926  0.5308 -5.9933 3 1396.3934B44  595161404714625 0    704724 0      C-13-H3C(O)CH3
  810752.2454  0.0121 -4.0465 3  403.0300632  595161404392416 2    382117 2      C-13-H3C(O)CH3
  810824.3627  0.0101 -4.3472 3  403.0077316  595161404392416 4    382117 4      C-13-H3C(O)CH3
  810840.6659  0.0116 -4.3472 3  403.0076316  595161404392416 3    382117 3      C-13-H3C(O)CH3
  810973.5987  0.2058 -5.9053 3 1294.4552B12  595161404694129 0    684226 0      C-13-H3C(O)CH3
  810998.4396  0.0335 -4.4101 3 1059.5248B28  595161404701654 0    691753 0      C-13-H3C(O)CH3
  810998.4396  0.0335 -4.4101 3 1059.5248B28  595161404701754 0    691653 0      C-13-H3C(O)CH3
  810998.4396  0.0335 -4.6242 3 1059.5248B28  595161404701654 0    691653 0      C-13-H3C(O)CH3
  810998.4396  0.0335 -4.6242 3 1059.5248B28  595161404701754 0    691753 0      C-13-H3C(O)CH3
  811036.8579  0.0350 -4.2570 3 1059.5249B28  595161404701654 1    691753 1      C-13-H3C(O)CH3
  811036.8579  0.0350 -4.2570 3 1059.5249B28  595161404701754 1    691653 1      C-13-H3C(O)CH3
  811036.8579  0.0350 -5.1353 3 1059.5249B28  595161404701654 1    691653 1      C-13-H3C(O)CH3
  811036.8579  0.0350 -5.1353 3 1059.5249B28  595161404701754 1    691753 1      C-13-H3C(O)CH3
  811037.3262  0.0352 -4.7456 3 1059.5249B28  595161404701754 2    691653 2      C-13-H3C(O)CH3
  811037.3262  0.0352 -4.3497 3 1059.5249B28  595161404701654 2    691653 2      C-13-H3C(O)CH3
  811037.3262  0.0352 -4.7456 3 1059.5249B28  595161404701654 2    691753 2      C-13-H3C(O)CH3
  811037.3262  0.0352 -4.3497 3 1059.5249B28  595161404701754 2    691753 2      C-13-H3C(O)CH3
  811058.4709  0.0302 -3.9652 3  623.6053776  595161404483019 1    472918 1      C-13-H3C(O)CH3
  811069.7830  0.2094 -5.9021 3 1294.4650B12  595161404694129 2    684226 2      C-13-H3C(O)CH3
  811075.7828  0.0373 -5.1483 3 1059.5249564  595161404701654 3    691753 3      C-13-H3C(O)CH3
  811075.7828  0.0373 -4.6158 3 1059.5249564  595161404701654 3    691653 3      C-13-H3C(O)CH3
  811075.7828  0.0373 -5.1483 3 1059.5249564  595161404701754 3    691653 3      C-13-H3C(O)CH3
  811075.7828  0.0373 -4.6158 3 1059.5249564  595161404701754 3    691753 3      C-13-H3C(O)CH3
  811075.8484  0.0373 -4.7161 3 1059.5249564  595161404701654 4    691753 4      C-13-H3C(O)CH3
  811075.8484  0.0373 -4.9171 3 1059.5249564  595161404701754 4    691753 4      C-13-H3C(O)CH3
  811075.8484  0.0373 -4.7161 3 1059.5249564  595161404701754 4    691653 4      C-13-H3C(O)CH3
  811075.8484  0.0373 -4.9171 3 1059.5249564  595161404701654 4    691653 4      C-13-H3C(O)CH3
  811076.3111  0.1987 -5.9003 3 1294.4624B12  595161404694129 1    684226 1      C-13-H3C(O)CH3
  811123.6060  0.0583 -5.2389 3  559.3741728  595161404453115 2    443014 2      C-13-H3C(O)CH3
  811303.8251  0.0519 -3.9648 3  623.5969776  595161404483019 2    472918 2      C-13-H3C(O)CH3
  811313.0569  0.0068 -4.3432 3  317.4716292  595161404361620 4    351521 4      C-13-H3C(O)CH3
  811313.2872  0.0066 -4.3432 3  317.4716292  595161404361620 3    351521 3      C-13-H3C(O)CH3
  811314.0884  0.0068 -4.3432 3  317.4716292  595161404361720 4    351421 4      C-13-H3C(O)CH3
  811314.3230  0.0066 -4.3432 3  317.4716292  595161404361720 3    351421 3      C-13-H3C(O)CH3
  811346.0244  0.0062 -4.0424 3  317.4955584  595161404361620 2    351521 2      C-13-H3C(O)CH3
  811347.0472  0.0062 -4.0424 3  317.4955584  595161404361720 2    351421 2      C-13-H3C(O)CH3
  811366.1147  0.0061 -4.0423 3  317.4979584  595161404361620 1    351521 1      C-13-H3C(O)CH3
  811367.0923  0.0061 -4.0423 3  317.4979584  595161404361720 1    351421 1      C-13-H3C(O)CH3
  811370.8622  0.4056 -4.9959 3  979.5797968  595161404603624 1    593723 1      C-13-H3C(O)CH3
  811398.8492  0.0055 -4.0424 3  317.5218584  595161404361620 0    351521 0      C-13-H3C(O)CH3
  811399.8150  0.0055 -4.0424 3  317.5218584  595161404361720 0    351421 0      C-13-H3C(O)CH3
  811449.3227  0.5917 -4.9959 3  979.5798968  595161404603624 2    593723 2      C-13-H3C(O)CH3
  811464.9742  0.0402 -4.9328 3  559.3569728  595161404453115 1    443014 1      C-13-H3C(O)CH3
  811586.5445  0.0288 -4.1883 3  919.4166968  595161404602733 0    592832 0      C-13-H3C(O)CH3
  811586.5515  0.0288 -4.1883 3  919.4166968  595161404602833 0    592732 0      C-13-H3C(O)CH3
  811592.5732  0.0399 -4.1846 3  576.7495372  595161404463017 4    452916 4      C-13-H3C(O)CH3
  811618.1596  0.0432 -4.2672 3  623.5816388  595161404483019 4    472918 4      C-13-H3C(O)CH3
  811629.8365  0.0295 -4.1884 3  919.4246968  595161404602733 1    592832 1      C-13-H3C(O)CH3
  811629.8450  0.0295 -4.1884 3  919.4246968  595161404602833 1    592732 1      C-13-H3C(O)CH3
  811633.5462  0.0315 -4.1884 3  919.4253968  595161404602733 2    592832 2      C-13-H3C(O)CH3
  811633.5542  0.0315 -4.1884 3  919.4253968  595161404602833 2    592732 2      C-13-H3C(O)CH3
  811671.8766  0.0264 -4.1925 3  900.6155952  595161404592831 0    582930 0      C-13-H3C(O)CH3
  811672.2401  0.0264 -4.1925 3  900.6155952  595161404592931 0    582830 0      C-13-H3C(O)CH3
  811676.8974  0.0323 -4.4895 3  919.4332484  595161404602733 3    592832 3      C-13-H3C(O)CH3
  811676.9071  0.0323 -4.4895 3  919.4332484  595161404602833 3    592732 3      C-13-H3C(O)CH3
  811676.9847  0.0323 -4.4895 3  919.4332484  595161404602733 4    592832 4      C-13-H3C(O)CH3
  811676.9943  0.0323 -4.4895 3  919.4332484  595161404602833 4    592732 4      C-13-H3C(O)CH3
  811695.5220  0.0272 -4.6243 3 1119.2325C56  59516140478 871 0    77 770 0      C-13-H3C(O)CH3
  811695.5220  0.0272 -4.6243 3 1119.2325C56  59516140478 771 0    77 870 0      C-13-H3C(O)CH3
  811695.5220  0.0272 -4.3876 3 1119.2325C56  59516140478 871 0    77 870 0      C-13-H3C(O)CH3
  811695.5220  0.0272 -4.3876 3 1119.2325C56  59516140478 771 0    77 770 0      C-13-H3C(O)CH3
  811704.3116  0.0474 -4.6189 3 1119.2020C56  59516140478 871 1    77 770 1      C-13-H3C(O)CH3
  811704.3116  0.0474 -4.3907 3 1119.2020C56  59516140478 871 1    77 870 1      C-13-H3C(O)CH3
  811704.3116  0.0474 -4.6189 3 1119.2020C56  59516140478 771 1    77 870 1      C-13-H3C(O)CH3
  811704.3116  0.0474 -4.3907 3 1119.2020C56  59516140478 771 1    77 770 1      C-13-H3C(O)CH3
  811704.4087  0.0461 -4.2085 3 1119.2019C56  59516140478 871 2    77 770 2      C-13-H3C(O)CH3
  811704.4087  0.0461 -4.2085 3 1119.2019C56  59516140478 771 2    77 870 2      C-13-H3C(O)CH3
  811704.4087  0.0461 -5.5458 3 1119.2019C56  59516140478 771 2    77 770 2      C-13-H3C(O)CH3
  811704.4087  0.0461 -5.5458 3 1119.2019C56  59516140478 871 2    77 870 2      C-13-H3C(O)CH3
  811713.1962  0.0259 -4.4974 3 1119.1714628  59516140478 771 4    77 770 4      C-13-H3C(O)CH3
  811713.1962  0.0259 -4.4974 3 1119.1714628  59516140478 871 4    77 870 4      C-13-H3C(O)CH3
  811713.2107  0.0259 -5.0032 3 1119.1714628  59516140478 871 3    77 870 3      C-13-H3C(O)CH3
  811713.2107  0.0259 -5.0032 3 1119.1714628  59516140478 771 3    77 770 3      C-13-H3C(O)CH3
  811713.2107  0.0259 -4.6489 3 1119.1714628  59516140478 871 3    77 770 3      C-13-H3C(O)CH3
  811713.2107  0.0259 -4.6489 3 1119.1714628  59516140478 771 3    77 870 3      C-13-H3C(O)CH3
  811718.6500  0.0273 -4.1926 3  900.6223952  595161404592831 1    582930 1      C-13-H3C(O)CH3
  811719.0664  0.0273 -4.1926 3  900.6223952  595161404592931 1    582830 1      C-13-H3C(O)CH3
  811723.6514  0.0294 -4.1926 3  900.6230952  595161404592831 2    582930 2      C-13-H3C(O)CH3
  811724.0529  0.0294 -4.1926 3  900.6229952  595161404592931 2    582830 2      C-13-H3C(O)CH3
  811749.4654  0.0549 -4.2629 3  623.5801388  595161404483019 3    472918 3      C-13-H3C(O)CH3
  811770.4918  0.0304 -4.4937 3  900.6298476  595161404592831 3    582930 3      C-13-H3C(O)CH3
  811770.5886  0.0305 -4.4937 3  900.6298476  595161404592831 4    582930 4      C-13-H3C(O)CH3
  811770.9517  0.0304 -4.4937 3  900.6298476  595161404592931 3    582830 3      C-13-H3C(O)CH3
  811771.0458  0.0305 -4.4937 3  900.6298476  595161404592931 4    582830 4      C-13-H3C(O)CH3
  811786.5560  0.0048 -3.3721 3  541.1927696 -5951614044335 9 0    4234 8 0      C-13-H3C(O)CH3
  811786.5560  0.0048 -3.3721 3  541.1927696 -5951614044335 8 0    4234 9 0      C-13-H3C(O)CH3
  811845.8433  0.0310 -4.1879 3  937.5560984  595161404612635 0    602734 0      C-13-H3C(O)CH3
  811845.8434  0.0310 -4.1879 3  937.5560984  595161404612735 0    602634 0      C-13-H3C(O)CH3
  811863.5583  0.0254 -4.0125 3  422.0225648  595161404402317 2    392218 2      C-13-H3C(O)CH3
  811864.2676  0.0098 -3.7458 3  576.7537744  595161404463017 0    452916 0      C-13-H3C(O)CH3
  811869.4980  0.0054 -3.3722 3  541.2027696 -5951614044335 8 2    4234 8 2      C-13-H3C(O)CH3
  811869.6378  0.0278 -4.3132 3  421.9999324  595161404402317 3    392218 3      C-13-H3C(O)CH3
  811878.4672  0.0272 -4.3132 3  421.9999324  595161404402317 4    392218 4      C-13-H3C(O)CH3
  811878.7076  0.0207 -3.8007 3  576.7512744  595161404463017 2    452916 2      C-13-H3C(O)CH3
  811883.2992  0.0054 -3.3722 3  541.1824696 -5951614044335 9 2    4234 9 2      C-13-H3C(O)CH3
  811886.8572  0.0318 -4.1880 3  937.5646984  595161404612635 1    602734 1      C-13-H3C(O)CH3
  811886.8573  0.0318 -4.1880 3  937.5646984  595161404612735 1    602634 1      C-13-H3C(O)CH3
  811889.7761  0.0335 -4.1880 3  937.5653984  595161404612635 2    602734 2      C-13-H3C(O)CH3
  811889.7763  0.0335 -4.1880 3  937.5653984  595161404612735 2    602634 2      C-13-H3C(O)CH3
  811902.3569  0.0054 -3.3721 3  541.1642696 -5951614044335 9 1    4234 9 1      C-13-H3C(O)CH3
  811909.1578  0.0098 -5.3366 3  223.3818268  59516140433 925 4    32 726 4      C-13-H3C(O)CH3
  811909.1578  0.0098 -4.8613 3  223.3818268  59516140433 825 4    32 726 4      C-13-H3C(O)CH3
  811909.1578  0.0098 -5.5192 3  223.3818268  59516140433 825 4    32 626 4      C-13-H3C(O)CH3
  811909.1578  0.0098 -4.8141 3  223.3818268  59516140433 925 4    32 626 4      C-13-H3C(O)CH3
  811909.5991  0.0084 -4.7493 3  223.3818268  59516140433 825 3    32 626 3      C-13-H3C(O)CH3
  811909.5991  0.0084 -4.7493 3  223.3818268  59516140433 925 3    32 726 3      C-13-H3C(O)CH3
  811913.2683  0.0126 -3.7716 3  576.7480744  595161404463017 1    452916 1      C-13-H3C(O)CH3
  811930.8434  0.0340 -4.4891 3  937.5740492  595161404612635 3    602734 3      C-13-H3C(O)CH3
  811930.8436  0.0340 -4.4891 3  937.5740492  595161404612735 3    602634 3      C-13-H3C(O)CH3
  811930.9257  0.0340 -4.4891 3  937.5740492  595161404612635 4    602734 4      C-13-H3C(O)CH3
  811930.9258  0.0340 -4.4891 3  937.5740492  595161404612735 4    602634 4      C-13-H3C(O)CH3
  811931.6304  0.0055 -3.3720 3  541.1972696 -5951614044335 8 1    4234 8 1      C-13-H3C(O)CH3
  811985.5476  0.0073 -3.6732 3  541.1743348  5951614044335 9 3    4234 9 3      C-13-H3C(O)CH3
  811999.7283  0.0073 -3.6731 3  541.1538348  5951614044335 9 4    4234 9 4      C-13-H3C(O)CH3
  812014.1316  0.0078 -3.6731 3  541.2072348  5951614044335 8 4    4234 8 4      C-13-H3C(O)CH3
  812028.5403  0.0073 -3.6731 3  541.1869348  5951614044335 8 3    4234 8 3      C-13-H3C(O)CH3
  812074.5484  0.0318 -4.2933 3 1071.3249B44  595161404711556 0    701655 0      C-13-H3C(O)CH3
  812074.5484  0.0318 -5.6671 3 1071.3249B44  595161404711556 0    701555 0      C-13-H3C(O)CH3
  812074.5484  0.0318 -4.2234 3 1071.3249B44  595161404711656 0    701555 0      C-13-H3C(O)CH3
  812074.5484  0.0318 -4.9567 3 1071.3249B44  595161404711656 0    701655 0      C-13-H3C(O)CH3
  812087.3934  0.0058 -3.5984 3  559.3491728 -595161404453115 0    443014 0      C-13-H3C(O)CH3
  812106.0707  0.0149 -4.0129 3  422.0503648 -595161404402317 0    392218 0      C-13-H3C(O)CH3
  812112.4521  0.0345 -4.2129 3 1071.3226B44  595161404711656 1    701555 1      C-13-H3C(O)CH3
  812112.4521  0.0345 -4.2129 3 1071.3226B44  595161404711556 1    701655 1      C-13-H3C(O)CH3
  812112.7596  0.0344 -4.2452 3 1071.3225B44  595161404711656 2    701555 2      C-13-H3C(O)CH3
  812112.7596  0.0344 -5.2933 3 1071.3225B44  595161404711556 2    701555 2      C-13-H3C(O)CH3
  812112.7596  0.0344 -4.2452 3 1071.3225B44  595161404711556 2    701655 2      C-13-H3C(O)CH3
  812112.7596  0.0344 -5.2933 3 1071.3225B44  595161404711656 2    701655 2      C-13-H3C(O)CH3
  812113.6513  0.0161 -4.0126 3  422.0278648  595161404402317 1    392218 1      C-13-H3C(O)CH3
  812139.5724  0.0648 -4.5966 3  559.3563364  595161404453115 3    443014 3      C-13-H3C(O)CH3
  812150.6998  0.0366 -4.6862 3 1071.3202572  595161404711656 3    701655 3      C-13-H3C(O)CH3
  812150.6998  0.0366 -4.6862 3 1071.3202572  595161404711556 3    701555 3      C-13-H3C(O)CH3
  812150.6998  0.0366 -4.9840 3 1071.3202572  595161404711656 3    701555 3      C-13-H3C(O)CH3
  812150.6998  0.0366 -4.9840 3 1071.3202572  595161404711556 3    701655 3      C-13-H3C(O)CH3
  812150.7623  0.0366 -4.5114 3 1071.3202572  595161404711656 4    701555 4      C-13-H3C(O)CH3
  812150.7623  0.0366 -4.5114 3 1071.3202572  595161404711556 4    701655 4      C-13-H3C(O)CH3
  812267.7810  0.0070 -4.5756 3  223.3788536  59516140433 925 2    32 626 2      C-13-H3C(O)CH3
  812267.7810  0.0070 -4.9909 3  223.3788536  59516140433 925 2    32 726 2      C-13-H3C(O)CH3
  812267.7810  0.0070 -4.5756 3  223.3788536  59516140433 825 2    32 726 2      C-13-H3C(O)CH3
  812267.7810  0.0070 -4.9909 3  223.3788536  59516140433 825 2    32 626 2      C-13-H3C(O)CH3
  812275.3237  0.0075 -4.6143 3  223.3795536  59516140433 925 1    32 626 1      C-13-H3C(O)CH3
  812275.3237  0.0075 -4.9040 3  223.3795536  59516140433 925 1    32 726 1      C-13-H3C(O)CH3
  812275.3237  0.0075 -4.6143 3  223.3795536  59516140433 825 1    32 726 1      C-13-H3C(O)CH3
  812275.3237  0.0075 -4.9040 3  223.3795536  59516140433 825 1    32 626 1      C-13-H3C(O)CH3
  812309.3919  0.0147 -4.0512 3  576.7412372  595161404463017 3    452916 3      C-13-H3C(O)CH3
  812316.1662  0.0242 -4.2029 3  881.1031936  595161404582929 0    573028 0      C-13-H3C(O)CH3
  812330.6169  0.0241 -4.2029 3  881.1028936  595161404583029 0    572928 0      C-13-H3C(O)CH3
  812330.8420  0.0332 -4.1901 3  955.0655A00  595161404622537 0    612636 0      C-13-H3C(O)CH3
  812330.8420  0.0332 -4.1901 3  955.0655A00  595161404622637 0    612536 0      C-13-H3C(O)CH3
  812368.1109  0.0251 -4.2030 3  881.1083936  595161404582929 1    573028 1      C-13-H3C(O)CH3
  812370.3426  0.0339 -4.1904 3  955.0745A00  595161404622637 1    612536 1      C-13-H3C(O)CH3
  812370.3426  0.0339 -4.1903 3  955.0745A00  595161404622537 1    612636 1      C-13-H3C(O)CH3
  812372.7451  0.0353 -4.1901 3  955.0752A00  595161404622537 2    612636 2      C-13-H3C(O)CH3
  812372.7451  0.0353 -4.1901 3  955.0752A00  595161404622637 2    612536 2      C-13-H3C(O)CH3
  812375.4626  0.0274 -4.2030 3  881.1088936  595161404582929 2    573028 2      C-13-H3C(O)CH3
  812383.9261  0.0250 -4.2030 3  881.1079936  595161404583029 1    572928 1      C-13-H3C(O)CH3
  812391.0533  0.0271 -4.2030 3  881.1084936  595161404583029 2    572928 2      C-13-H3C(O)CH3
  812412.2955  0.0356 -4.4912 3  955.0842500  595161404622537 3    612636 3      C-13-H3C(O)CH3
  812412.2955  0.0356 -4.4912 3  955.0842500  595161404622637 3    612536 3      C-13-H3C(O)CH3
  812412.3743  0.0356 -4.4911 3  955.0842500  595161404622637 4    612536 4      C-13-H3C(O)CH3
  812412.3743  0.0356 -4.4911 3  955.0842500  595161404622537 4    612636 4      C-13-H3C(O)CH3
  812413.1183  0.0062 -3.6188 3  559.3569728 -595161404453114 1    443014 1      C-13-H3C(O)CH3
  812420.7342  0.0070 -3.6186 3  559.3250728  595161404453115 1    443015 1      C-13-H3C(O)CH3
  812424.6570  0.0065 -3.6082 3  559.3741728 -595161404453114 2    443014 2      C-13-H3C(O)CH3
  812427.4469  0.0286 -4.5042 3  881.1140468  595161404582929 3    573028 3      C-13-H3C(O)CH3
  812427.5858  0.0286 -4.5042 3  881.1140468  595161404582929 4    573028 4      C-13-H3C(O)CH3
  812444.5084  0.0283 -4.5041 3  881.1136468  595161404583029 3    572928 3      C-13-H3C(O)CH3
  812444.5918  0.0283 -4.5041 3  881.1136468  595161404583029 4    572928 4      C-13-H3C(O)CH3
  812480.7914  0.0068 -3.6076 3  559.3288728 -595161404453115 2    443015 2      C-13-H3C(O)CH3
  812493.1982  0.0084 -6.1046 3  572.1173744  595161404462918 2    452818 2      C-13-H3C(O)CH3
  812498.5117  0.0057 -3.5980 3  559.3396728  595161404453114 0    443015 0      C-13-H3C(O)CH3
  812515.1305  0.0101 -3.9962 3  559.3563364  595161404453114 3    443014 3      C-13-H3C(O)CH3
  812567.6762  0.0080 -3.9026 3  559.3856364  595161404453114 4    443014 4      C-13-H3C(O)CH3
  812573.3247  0.4394 -4.9922 3  979.5584968  595161404603624 0    593723 0      C-13-H3C(O)CH3
  812576.6849  0.0089 -5.9624 3  572.1060372  595161404462918 4    452818 4      C-13-H3C(O)CH3
  812586.5488  0.0085 -3.9018 3  559.3103364  595161404453115 4    443015 4      C-13-H3C(O)CH3
  812632.8154  0.0069 -6.0353 3  223.3765536  59516140433 925 0    32 626 0      C-13-H3C(O)CH3
  812632.8154  0.0069 -6.0353 3  223.3765536  59516140433 825 0    32 726 0      C-13-H3C(O)CH3
  812632.8154  0.0069 -4.4449 3  223.3765536  59516140433 925 0    32 726 0      C-13-H3C(O)CH3
  812632.8154  0.0069 -4.4449 3  223.3765536  59516140433 825 0    32 626 0      C-13-H3C(O)CH3
  812638.9717  0.0095 -3.9957 3  559.3396364  595161404453115 3    443015 3      C-13-H3C(O)CH3
  812739.4589  0.0048 -3.4654 3  549.1639712 -595161404443311 0    433212 0      C-13-H3C(O)CH3
  812739.4589  0.0048 -3.4654 3  549.1639712 -595161404443312 0    433211 0      C-13-H3C(O)CH3
  812785.4349  0.5403 -6.0052 3 1266.4247548  595161404684227 4    674324 4      C-13-H3C(O)CH3
  812829.1337  0.0051 -3.4656 3  549.1878712 -595161404443311 2    433211 2      C-13-H3C(O)CH3
  812843.9570  0.3775 -5.9946 3 1266.4231548  595161404684227 3    674324 3      C-13-H3C(O)CH3
  812845.7089  0.0059 -3.4654 3  549.1441712 -595161404443312 1    433212 1      C-13-H3C(O)CH3
  812867.4605  0.0052 -3.4654 3  549.1715712 -595161404443311 1    433211 1      C-13-H3C(O)CH3
  812871.3664  0.0056 -3.4652 3  549.1594712 -595161404443312 2    433212 2      C-13-H3C(O)CH3
  812892.5533  0.0258 -4.5124 3 1126.1559C72  59516140479 673 0    78 772 0      C-13-H3C(O)CH3
  812892.5533  0.0258 -4.4678 3 1126.1559C72  59516140479 673 0    78 672 0      C-13-H3C(O)CH3
  812892.5533  0.0258 -4.4678 3 1126.1559C72  59516140479 773 0    78 772 0      C-13-H3C(O)CH3
  812892.5533  0.0258 -4.5124 3 1126.1559C72  59516140479 773 0    78 672 0      C-13-H3C(O)CH3
  812893.5826  0.0440 -4.1884 3 1126.1234C72  59516140479 773 1    78 672 1      C-13-H3C(O)CH3
  812893.5826  0.0440 -4.1884 3 1126.1234C72  59516140479 673 1    78 772 1      C-13-H3C(O)CH3
  812893.7449  0.0431 -4.2826 3 1126.1233C72  59516140479 673 2    78 772 2      C-13-H3C(O)CH3
  812893.7449  0.0431 -4.2826 3 1126.1233C72  59516140479 773 2    78 672 2      C-13-H3C(O)CH3
  812893.7449  0.0431 -4.8984 3 1126.1233C72  59516140479 773 2    78 772 2      C-13-H3C(O)CH3
  812893.7449  0.0431 -4.8984 3 1126.1233C72  59516140479 673 2    78 672 2      C-13-H3C(O)CH3
  812894.7554  0.0236 -4.5353 3 1126.0908636  59516140479 673 4    78 672 4      C-13-H3C(O)CH3
  812894.7554  0.0236 -5.4877 3 1126.0908636  59516140479 773 4    78 672 4      C-13-H3C(O)CH3
  812894.7554  0.0236 -4.5353 3 1126.0908636  59516140479 773 4    78 772 4      C-13-H3C(O)CH3
  812894.7554  0.0236 -5.4877 3 1126.0908636  59516140479 673 4    78 772 4      C-13-H3C(O)CH3
  812894.7845  0.0236 -5.0970 3 1126.0909636  59516140479 773 3    78 672 3      C-13-H3C(O)CH3
  812894.7845  0.0236 -4.6125 3 1126.0909636  59516140479 773 3    78 772 3      C-13-H3C(O)CH3
  812894.7845  0.0236 -4.6125 3 1126.0909636  59516140479 673 3    78 672 3      C-13-H3C(O)CH3
  812894.7845  0.0236 -5.0970 3 1126.0909636  59516140479 673 3    78 772 3      C-13-H3C(O)CH3
  812936.2921  0.0071 -3.7666 3  549.1679356  595161404443312 3    433211 3      C-13-H3C(O)CH3
  812957.6233  0.0068 -3.7666 3  549.1954356  595161404443311 4    433211 4      C-13-H3C(O)CH3
  812971.1539  0.0352 -4.2577 3  971.9670A16  595161404632539 0    622438 0      C-13-H3C(O)CH3
  812971.1539  0.0352 -5.1190 3  971.9670A16  595161404632539 0    622538 0      C-13-H3C(O)CH3
  812971.1539  0.0352 -5.0574 3  971.9670A16  595161404632439 0    622438 0      C-13-H3C(O)CH3
  812971.1539  0.0352 -4.2487 3  971.9670A16  595161404632439 0    622538 0      C-13-H3C(O)CH3
  812978.3706  0.0078 -3.7662 3  549.1394356  595161404443312 4    433212 4      C-13-H3C(O)CH3
  813000.2467  0.0070 -3.7663 3  549.1669356  595161404443311 3    433212 3      C-13-H3C(O)CH3
  813009.6711  0.0358 -4.7332 3  971.9762A16  595161404632439 1    622438 1      C-13-H3C(O)CH3
  813009.6711  0.0358 -4.3980 3  971.9762A16  595161404632439 1    622538 1      C-13-H3C(O)CH3
  813009.6711  0.0358 -4.6198 3  971.9762A16  595161404632539 1    622538 1      C-13-H3C(O)CH3
  813009.6711  0.0358 -4.3419 3  971.9762A16  595161404632539 1    622438 1      C-13-H3C(O)CH3
  813011.7149  0.0370 -4.2502 3  971.9768A16  595161404632539 2    622438 2      C-13-H3C(O)CH3
  813011.7149  0.0370 -5.1084 3  971.9768A16  595161404632439 2    622438 2      C-13-H3C(O)CH3
  813011.7149  0.0370 -4.2502 3  971.9768A16  595161404632439 2    622538 2      C-13-H3C(O)CH3
  813011.7149  0.0370 -5.1084 3  971.9768A16  595161404632539 2    622538 2      C-13-H3C(O)CH3
  813014.5298  0.0661 -4.5959 3  559.3396364  595161404453114 3    443015 3      C-13-H3C(O)CH3
  813043.9745  0.0154 -5.1018 3  188.7754260  59516140432 627 4    31 328 4      C-13-H3C(O)CH3
  813043.9745  0.0154 -5.1018 3  188.7754260  59516140432 527 4    31 428 4      C-13-H3C(O)CH3
  813044.0516  0.0136 -5.1075 3  188.7753260  59516140432 527 3    31 328 3      C-13-H3C(O)CH3
  813044.0516  0.0136 -5.1075 3  188.7753260  59516140432 627 3    31 428 3      C-13-H3C(O)CH3
  813050.2793  0.0370 -4.4960 3  971.9859508  595161404632539 3    622438 3      C-13-H3C(O)CH3
  813050.2793  0.0370 -4.4949 3  971.9859508  595161404632439 3    622538 3      C-13-H3C(O)CH3
  813050.3557  0.0371 -4.5354 3  971.9860508  595161404632539 4    622438 4      C-13-H3C(O)CH3
  813050.3557  0.0371 -5.5095 3  971.9860508  595161404632539 4    622538 4      C-13-H3C(O)CH3
  813050.3557  0.0371 -4.5390 3  971.9860508  595161404632439 4    622538 4      C-13-H3C(O)CH3
  813050.3557  0.0371 -5.5455 3  971.9860508  595161404632439 4    622438 4      C-13-H3C(O)CH3
  813133.3698  0.3385 -5.6980 3 1266.3934A96  595161404684227 1    674324 1      C-13-H3C(O)CH3
  813168.1049  0.0300 -4.2141 3 1082.5817B60  595161404721458 0    711457 0      C-13-H3C(O)CH3
  813168.1049  0.0300 -4.2141 3 1082.5817B60  595161404721558 0    711557 0      C-13-H3C(O)CH3
  813205.1240  0.0345 -4.9992 3 1082.5767B60  595161404721458 1    711557 1      C-13-H3C(O)CH3
  813205.1240  0.0345 -4.2901 3 1082.5767B60  595161404721458 1    711457 1      C-13-H3C(O)CH3
  813205.1240  0.0345 -4.2901 3 1082.5767B60  595161404721558 1    711557 1      C-13-H3C(O)CH3
  813205.1240  0.0345 -4.9992 3 1082.5767B60  595161404721558 1    711457 1      C-13-H3C(O)CH3
  813205.2875  0.0341 -5.8304 3 1082.5766B60  595161404721458 2    711557 2      C-13-H3C(O)CH3
  813205.2875  0.0341 -4.2232 3 1082.5766B60  595161404721458 2    711457 2      C-13-H3C(O)CH3
  813205.2875  0.0341 -5.8304 3 1082.5766B60  595161404721558 2    711457 2      C-13-H3C(O)CH3
  813205.2875  0.0341 -4.2232 3 1082.5766B60  595161404721558 2    711557 2      C-13-H3C(O)CH3
  813242.3409  0.0357 -4.8866 3 1082.5717580  595161404721558 3    711557 3      C-13-H3C(O)CH3
  813242.3409  0.0357 -4.7528 3 1082.5717580  595161404721558 3    711457 3      C-13-H3C(O)CH3
  813242.3409  0.0357 -4.7528 3 1082.5717580  595161404721458 3    711557 3      C-13-H3C(O)CH3
  813242.3409  0.0357 -4.8866 3 1082.5717580  595161404721458 3    711457 3      C-13-H3C(O)CH3
  813242.3995  0.0357 -4.5168 3 1082.5716580  595161404721558 4    711457 4      C-13-H3C(O)CH3
  813242.3995  0.0357 -4.5168 3 1082.5716580  595161404721458 4    711557 4      C-13-H3C(O)CH3
  813245.4768  0.4276 -5.6946 3 1266.3867A96  595161404684227 2    674324 2      C-13-H3C(O)CH3
  813303.3176  0.1527 -4.7022 3  844.8794452  595161404563224 3    553323 3      C-13-H3C(O)CH3
  813317.5202  0.0219 -5.9398 3  226.7526228  5951614042825 3 4    2722 5 4      C-13-H3C(O)CH3
  813323.3727  0.1483 -4.7022 3  844.8789452  595161404563224 4    553323 4      C-13-H3C(O)CH3
  813368.7289  0.0419 -4.9312 3  559.3250728  595161404453114 1    443015 1      C-13-H3C(O)CH3
  813518.3263  0.0254 -6.0219 3  153.5537252  59516140431 229 3    30 130 3      C-13-H3C(O)CH3
  813518.3263  0.0254 -6.0219 3  153.5537252  59516140431 329 3    30 030 3      C-13-H3C(O)CH3
  813518.7894  0.0185 -4.6235 3  329.2976568  595161404352412 1    342113 1      C-13-H3C(O)CH3
  813519.3331  0.0272 -6.0807 3  153.5537252  59516140431 329 4    30 030 4      C-13-H3C(O)CH3
  813519.3331  0.0272 -6.0807 3  153.5537252  59516140431 229 4    30 130 4      C-13-H3C(O)CH3
  813548.5371  0.0188 -5.9359 3  226.7218228  5951614042825 4 3    2722 5 3      C-13-H3C(O)CH3
  813564.6646  0.2964 -5.6937 3 1266.3563A96  595161404684227 0    674324 0      C-13-H3C(O)CH3
  813620.0981  0.0137 -4.7979 3  188.7463520  59516140432 627 2    31 328 2      C-13-H3C(O)CH3
  813620.0981  0.0137 -4.7979 3  188.7463520  59516140432 527 2    31 428 2      C-13-H3C(O)CH3
  813624.3756  0.0147 -5.3868 3  188.7468520  59516140432 527 1    31 328 1      C-13-H3C(O)CH3
  813624.3756  0.0147 -4.9233 3  188.7468520  59516140432 627 1    31 328 1      C-13-H3C(O)CH3
  813624.3756  0.0147 -4.9233 3  188.7468520  59516140432 527 1    31 428 1      C-13-H3C(O)CH3
  813624.3756  0.0147 -5.3868 3  188.7468520  59516140432 627 1    31 428 1      C-13-H3C(O)CH3
  813691.6322  0.1694 -4.3990 3  844.8755904  595161404563224 2    553323 2      C-13-H3C(O)CH3
  813698.7679  0.1151 -4.3989 3  844.8761904  595161404563224 1    553323 1      C-13-H3C(O)CH3
  813722.5020  0.0369 -5.6575 3  988.2763A32  595161404642341 0    632440 0      C-13-H3C(O)CH3
  813722.5020  0.0369 -5.6575 3  988.2763A32  595161404642441 0    632340 0      C-13-H3C(O)CH3
  813722.5020  0.0369 -4.2141 3  988.2763A32  595161404642341 0    632340 0      C-13-H3C(O)CH3
  813722.5020  0.0369 -4.2141 3  988.2763A32  595161404642441 0    632440 0      C-13-H3C(O)CH3
  813760.4257  0.0375 -5.8643 3  988.2853A32  595161404642341 1    632440 1      C-13-H3C(O)CH3
  813760.4257  0.0375 -4.2082 3  988.2853A32  595161404642341 1    632340 1      C-13-H3C(O)CH3
  813760.4257  0.0375 -4.2082 3  988.2853A32  595161404642441 1    632440 1      C-13-H3C(O)CH3
  813760.4257  0.0375 -5.8643 3  988.2853A32  595161404642441 1    632340 1      C-13-H3C(O)CH3
  813761.1173  0.0276 -4.9770 3  329.2691284  595161404352412 3    342113 3      C-13-H3C(O)CH3
  813762.2020  0.0385 -5.2183 3  988.2859A32  595161404642341 2    632340 2      C-13-H3C(O)CH3
  813762.2020  0.0385 -4.2423 3  988.2859A32  595161404642441 2    632340 2      C-13-H3C(O)CH3
  813762.2020  0.0385 -4.2423 3  988.2859A32  595161404642341 2    632440 2      C-13-H3C(O)CH3
  813762.2020  0.0385 -5.2183 3  988.2859A32  595161404642441 2    632440 2      C-13-H3C(O)CH3
  813776.8491  0.0240 -4.9766 3  329.2685284  595161404352412 4    342113 4      C-13-H3C(O)CH3
  813781.8162  0.0611 -5.2367 3  559.3288728  595161404453114 2    443015 2      C-13-H3C(O)CH3
  813800.1711  0.0383 -4.6960 3  988.2950516  595161404642341 3    632340 3      C-13-H3C(O)CH3
  813800.1711  0.0383 -4.9392 3  988.2950516  595161404642441 3    632340 3      C-13-H3C(O)CH3
  813800.1711  0.0383 -4.6960 3  988.2950516  595161404642441 3    632440 3      C-13-H3C(O)CH3
  813800.1711  0.0383 -4.9392 3  988.2950516  595161404642341 3    632440 3      C-13-H3C(O)CH3
  813800.2455  0.0383 -4.5569 3  988.2950516  595161404642441 4    632440 4      C-13-H3C(O)CH3
  813800.2455  0.0383 -5.4089 3  988.2950516  595161404642341 4    632440 4      C-13-H3C(O)CH3
  813800.2455  0.0383 -4.5569 3  988.2950516  595161404642341 4    632340 4      C-13-H3C(O)CH3
  813800.2455  0.0383 -5.4089 3  988.2950516  595161404642441 4    632340 4      C-13-H3C(O)CH3
  813809.9208  0.0228 -4.2245 3  860.7990920  595161404573027 0    563126 0      C-13-H3C(O)CH3
  813833.3958  0.0168 -4.6254 3  329.3122568  595161404352412 0    342113 0      C-13-H3C(O)CH3
  813861.4145  0.0238 -4.2248 3  860.8019920  595161404573027 1    563126 1      C-13-H3C(O)CH3
  813873.7448  0.0272 -4.2248 3  860.8020920  595161404573027 2    563126 2      C-13-H3C(O)CH3
  813899.1977  0.0180 -5.6393 3  226.7684456  5951614042825 3 1    2722 5 1      C-13-H3C(O)CH3
  813924.6639  0.0285 -4.5261 3  860.8048460  595161404573027 3    563126 3      C-13-H3C(O)CH3
  813925.2523  0.0284 -4.5261 3  860.8048460  595161404573027 4    563126 4      C-13-H3C(O)CH3
  813946.6167  0.0194 -5.9383 3  226.7205228  5951614042825 3 3    2722 6 3      C-13-H3C(O)CH3
  814030.3047  0.0573 -4.5797 3  839.6082452  595161404563125 3    553224 3      C-13-H3C(O)CH3
  814035.6504  0.0561 -4.5797 3  839.6081452  595161404563125 4    553224 4      C-13-H3C(O)CH3
  814049.9570  0.0171 -5.6419 3  226.7822456  5951614042825 3 2    2722 5 2      C-13-H3C(O)CH3
  814069.4405  0.1270 -4.3967 3  844.8725904  595161404563224 0    553323 0      C-13-H3C(O)CH3
  814076.0941  0.0451 -4.2779 3  839.6077904  595161404563125 1    553224 1      C-13-H3C(O)CH3
  814086.7142  0.0204 -4.5048 3 1132.4798644  59516140480 675 4    79 674 4      C-13-H3C(O)CH3
  814086.7142  0.0204 -4.5048 3 1132.4798644  59516140480 575 4    79 574 4      C-13-H3C(O)CH3
  814086.7142  0.0204 -5.9132 3 1132.4798644  59516140480 575 4    79 674 4      C-13-H3C(O)CH3
  814086.7142  0.0204 -5.9132 3 1132.4798644  59516140480 675 4    79 574 4      C-13-H3C(O)CH3
  814086.7541  0.0204 -4.6185 3 1132.4798644  59516140480 575 3    79 574 3      C-13-H3C(O)CH3
  814086.7541  0.0204 -5.0744 3 1132.4798644  59516140480 575 3    79 674 3      C-13-H3C(O)CH3
  814086.7541  0.0204 -4.6185 3 1132.4798644  59516140480 675 3    79 674 3      C-13-H3C(O)CH3
  814086.7541  0.0204 -5.0744 3 1132.4798644  59516140480 675 3    79 574 3      C-13-H3C(O)CH3
  814089.6868  0.0206 -4.6791 3  329.2834568  595161404352412 2    342113 2      C-13-H3C(O)CH3
  814090.9168  0.0620 -4.2779 3  839.6070904  595161404563125 2    553224 2      C-13-H3C(O)CH3
  814093.7351  0.0370 -4.5304 3 1132.5124C88  59516140480 675 1    79 674 1      C-13-H3C(O)CH3
  814093.7351  0.0370 -4.5304 3 1132.5124C88  59516140480 575 1    79 574 1      C-13-H3C(O)CH3
  814093.7351  0.0370 -4.4497 3 1132.5124C88  59516140480 575 1    79 674 1      C-13-H3C(O)CH3
  814093.7351  0.0370 -4.4497 3 1132.5124C88  59516140480 675 1    79 574 1      C-13-H3C(O)CH3
  814093.9232  0.0365 -4.3036 3 1132.5122C88  59516140480 575 2    79 574 2      C-13-H3C(O)CH3
  814093.9232  0.0365 -4.3036 3 1132.5122C88  59516140480 675 2    79 674 2      C-13-H3C(O)CH3
  814093.9232  0.0365 -4.8156 3 1132.5122C88  59516140480 575 2    79 674 2      C-13-H3C(O)CH3
  814093.9232  0.0365 -4.8156 3 1132.5122C88  59516140480 675 2    79 574 2      C-13-H3C(O)CH3
  814098.0746  0.0225 -5.9997 3 1132.5448C88 -59516140480 575 0    79 574 0      C-13-H3C(O)CH3
  814098.0746  0.0225 -4.1940 3 1132.5448C88 -59516140480 675 0    79 574 0      C-13-H3C(O)CH3
  814100.9117  0.0225 -4.1940 3 1132.5448C88  59516140480 575 0    79 674 0      C-13-H3C(O)CH3
  814100.9117  0.0225 -5.9997 3 1132.5448C88  59516140480 675 0    79 674 0      C-13-H3C(O)CH3
  814130.6604  0.0477 -4.2770 3  839.6066904  595161404563125 0    553224 0      C-13-H3C(O)CH3
  814175.3399  0.0206 -5.9344 3  226.6897228  5951614042825 4 4    2722 6 4      C-13-H3C(O)CH3
  814199.1920  0.0129 -5.4911 3  188.7179520  59516140432 627 0    31 428 0      C-13-H3C(O)CH3
  814199.1920  0.0129 -5.4911 3  188.7179520  59516140432 527 0    31 328 0      C-13-H3C(O)CH3
  814199.1920  0.0129 -4.8913 3  188.7179520  59516140432 527 0    31 428 0      C-13-H3C(O)CH3
  814199.1920  0.0129 -4.8913 3  188.7179520  59516140432 627 0    31 328 0      C-13-H3C(O)CH3
  814229.0935  0.0221 -4.2240 3  860.7883920  595161404573127 0    563026 0      C-13-H3C(O)CH3
  814274.1317  0.2622 -6.0316 3 1260.3268548  595161404684128 4    674225 4      C-13-H3C(O)CH3
  814277.4428  0.0284 -5.7014 3 1093.2973B76  595161404731460 0    721359 0      C-13-H3C(O)CH3
  814277.4428  0.0284 -4.2312 3 1093.2973B76  595161404731460 0    721459 0      C-13-H3C(O)CH3
  814277.4428  0.0284 -5.7014 3 1093.2973B76  595161404731360 0    721459 0      C-13-H3C(O)CH3
  814277.4428  0.0284 -4.2312 3 1093.2973B76  595161404731360 0    721359 0      C-13-H3C(O)CH3
  814277.7141  0.0179 -5.6381 3  226.7513456  5951614042825 4 2    2722 6 2      C-13-H3C(O)CH3
  814305.9787  0.0225 -4.2242 3  860.7906920  595161404573127 1    563026 1      C-13-H3C(O)CH3
  814311.1130  0.1831 -6.0300 3 1260.3257548  595161404684128 3    674225 3      C-13-H3C(O)CH3
  814313.0827  0.0355 -4.5849 3 1093.2893B76  595161404731460 1    721359 1      C-13-H3C(O)CH3
  814313.0827  0.0355 -4.4596 3 1093.2893B76  595161404731360 1    721359 1      C-13-H3C(O)CH3
  814313.0827  0.0355 -4.5849 3 1093.2893B76  595161404731360 1    721459 1      C-13-H3C(O)CH3
  814313.0827  0.0355 -4.4596 3 1093.2893B76  595161404731460 1    721459 1      C-13-H3C(O)CH3
  814313.1268  0.0346 -4.3189 3 1093.2892B76  595161404731460 2    721459 2      C-13-H3C(O)CH3
  814313.1268  0.0346 -4.3189 3 1093.2892B76  595161404731360 2    721359 2      C-13-H3C(O)CH3
  814313.1268  0.0346 -4.8949 3 1093.2892B76  595161404731460 2    721359 2      C-13-H3C(O)CH3
  814313.1268  0.0346 -4.8949 3 1093.2892B76  595161404731360 2    721459 2      C-13-H3C(O)CH3
  814316.9686  0.0230 -4.2242 3  860.7907920  595161404573127 2    563026 2      C-13-H3C(O)CH3
  814334.4473  0.5741 -6.0834 3 1438.8251B60  595161404724726 0    714823 0      C-13-H3C(O)CH3
  814348.7983  0.0347 -4.5192 3 1093.2812588  595161404731460 3    721459 3      C-13-H3C(O)CH3
  814348.7983  0.0347 -4.5192 3 1093.2812588  595161404731360 3    721359 3      C-13-H3C(O)CH3
  814348.8519  0.0347 -4.8832 3 1093.2811588  595161404731460 4    721359 4      C-13-H3C(O)CH3
  814348.8519  0.0347 -4.7626 3 1093.2811588  595161404731360 4    721359 4      C-13-H3C(O)CH3
  814348.8519  0.0347 -4.8832 3 1093.2811588  595161404731360 4    721459 4      C-13-H3C(O)CH3
  814348.8519  0.0347 -4.7626 3 1093.2811588  595161404731460 4    721459 4      C-13-H3C(O)CH3
  814391.5668  0.0346 -5.7085 3  153.4843504  59516140431 329 2    30 130 2      C-13-H3C(O)CH3
  814391.5668  0.0346 -5.7085 3  153.4843504  59516140431 229 2    30 030 2      C-13-H3C(O)CH3
  814392.3500  0.0359 -5.7823 3  153.4847504  59516140431 229 1    30 030 1      C-13-H3C(O)CH3
  814392.3500  0.0359 -5.7823 3  153.4847504  59516140431 329 1    30 130 1      C-13-H3C(O)CH3
  814394.4757  0.0237 -4.5255 3  860.7929460  595161404573127 4    563026 4      C-13-H3C(O)CH3
  814394.7579  0.0236 -4.5255 3  860.7929460  595161404573127 3    563026 3      C-13-H3C(O)CH3
  814437.6232  0.1900 -5.7314 3 1260.3065A96  595161404684128 1    674225 1      C-13-H3C(O)CH3
  814437.7684  0.0069 -3.2297 3  538.4923664 -5951614044140 2 0    4039 1 0      C-13-H3C(O)CH3
  814437.7684  0.0069 -3.2297 3  538.4923664 -5951614044140 1 0    4039 2 0      C-13-H3C(O)CH3
  814525.2012  0.0178 -5.6377 3  226.7363456  5951614042825 4 1    2722 6 1      C-13-H3C(O)CH3
  814533.9257  0.2195 -5.7318 3 1260.3039A96  595161404684128 2    674225 2      C-13-H3C(O)CH3
  814555.7495  0.0383 -4.2310 3 1004.0051A48  595161404652243 0    642342 0      C-13-H3C(O)CH3
  814555.7495  0.0383 -5.4296 3 1004.0051A48  595161404652343 0    642342 0      C-13-H3C(O)CH3
  814555.7495  0.0383 -4.2310 3 1004.0051A48  595161404652343 0    642242 0      C-13-H3C(O)CH3
  814555.7495  0.0383 -5.4296 3 1004.0051A48  595161404652243 0    642242 0      C-13-H3C(O)CH3
  814582.6067  0.0074 -3.2295 3  538.4394664 -5951614044140 2 2    4039 2 2      C-13-H3C(O)CH3
  814585.5927  0.0284 -5.8728 3  329.2691284  595161404352411 3    342113 3      C-13-H3C(O)CH3
  814593.3737  0.0388 -4.2055 3 1004.0138A48  595161404652243 1    642342 1      C-13-H3C(O)CH3
  814593.3737  0.0388 -4.2055 3 1004.0138A48  595161404652343 1    642242 1      C-13-H3C(O)CH3
  814594.9333  0.0397 -5.2532 3 1004.0143A48  595161404652343 2    642242 2      C-13-H3C(O)CH3
  814594.9333  0.0397 -4.2078 3 1004.0143A48  595161404652343 2    642342 2      C-13-H3C(O)CH3
  814594.9333  0.0397 -4.2450 3 1004.0143A48  595161404652243 2    642242 2      C-13-H3C(O)CH3
  814603.1507  0.0309 -5.8741 3  329.2685284  595161404352411 4    342113 4      C-13-H3C(O)CH3
  814632.6014  0.0393 -4.5054 3 1004.0230524  595161404652243 3    642342 3      C-13-H3C(O)CH3
  814632.6014  0.0393 -4.5054 3 1004.0230524  595161404652343 3    642242 3      C-13-H3C(O)CH3
  814632.6745  0.0394 -4.5361 3 1004.0230524  595161404652343 4    642242 4      C-13-H3C(O)CH3
  814632.6745  0.0394 -5.6707 3 1004.0230524  595161404652243 4    642242 4      C-13-H3C(O)CH3
  814632.6745  0.0394 -4.5361 3 1004.0230524  595161404652243 4    642342 4      C-13-H3C(O)CH3
  814632.6745  0.0394 -5.6707 3 1004.0230524  595161404652343 4    642342 4      C-13-H3C(O)CH3
  814633.2049  0.0181 -5.6423 3  226.7978456  5951614042825 4 0    2722 5 0      C-13-H3C(O)CH3
  814633.4173  0.0181 -5.6423 3  226.7978456  5951614042825 3 0    2722 6 0      C-13-H3C(O)CH3
  814642.1832  0.0082 -3.2295 3  538.4976664 -5951614044140 1 2    4039 1 2      C-13-H3C(O)CH3
  814648.5616  0.0074 -3.2296 3  538.5272664 -5951614044140 1 1    4039 1 1      C-13-H3C(O)CH3
  814674.7895  0.0074 -3.2294 3  538.4550664 -5951614044140 2 1    4039 2 1      C-13-H3C(O)CH3
  814675.3796  0.1657 -5.7335 3 1260.2844A96  595161404684128 0    674225 0      C-13-H3C(O)CH3
  814770.9534  0.5807 -6.0829 3 1438.8245B60  595161404724725 0    714824 0      C-13-H3C(O)CH3
  814792.9367  0.0109 -3.5304 3  538.4742332  5951614044140 1 3    4039 1 3      C-13-H3C(O)CH3
  814818.9596  0.0112 -3.5302 3  538.4021332  5951614044140 2 4    4039 2 4      C-13-H3C(O)CH3
  814824.8869  0.0753 -5.9929 3  559.3103364  595161404453114 4    443015 4      C-13-H3C(O)CH3
  814853.3482  0.0121 -3.5304 3  538.5324332  5951614044140 1 4    4039 1 4      C-13-H3C(O)CH3
  814869.1262  0.0360 -4.3244 3  445.6036332  595161404412417 3    402318 3      C-13-H3C(O)CH3
  814878.8959  0.0114 -3.5302 3  538.4602332  5951614044140 2 3    4039 2 3      C-13-H3C(O)CH3
  814879.4975  0.0358 -4.3244 3  445.6035332  595161404412417 4    402318 4      C-13-H3C(O)CH3
  814904.1421  0.0339 -4.0238 3  445.6250664  595161404412417 2    402318 2      C-13-H3C(O)CH3
  814904.9138  0.0069 -4.0060 3  344.5592600  595161404371819 2    361720 2      C-13-H3C(O)CH3
  814912.4773  0.0245 -5.5636 3  329.2834568  595161404352411 2    342113 2      C-13-H3C(O)CH3
  814915.0387  0.0076 -4.3067 3  344.5341300  595161404371819 4    361720 4      C-13-H3C(O)CH3
  814915.0531  0.0075 -4.3067 3  344.5341300  595161404371819 3    361720 3      C-13-H3C(O)CH3
  814923.3762  0.0060 -4.0061 3  344.5872600  595161404371819 0    361720 0      C-13-H3C(O)CH3
  814933.4160  0.0065 -4.0059 3  344.5622600  595161404371819 1    361720 1      C-13-H3C(O)CH3
  814941.0004  0.0068 -4.0059 3  344.5591600  595161404371919 2    361620 2      C-13-H3C(O)CH3
  814951.3199  0.0075 -4.3067 3  344.5341300  595161404371919 4    361620 4      C-13-H3C(O)CH3
  814951.4300  0.0074 -4.3067 3  344.5341300  595161404371919 3    361620 3      C-13-H3C(O)CH3
  814957.9584  0.0060 -4.0061 3  344.5871600  595161404371919 0    361620 0      C-13-H3C(O)CH3
  814968.2648  0.0064 -4.0059 3  344.5621600  595161404371919 1    361620 1      C-13-H3C(O)CH3
  815207.2012  0.0190 -4.0242 3  445.6304664  595161404412417 1    402318 1      C-13-H3C(O)CH3
  815213.5255  0.0486 -4.2967 3  494.4722348  595161404432617 3    422518 3      C-13-H3C(O)CH3
  815232.2540  0.0466 -4.2969 3  494.4719348  595161404432617 4    422518 4      C-13-H3C(O)CH3
  815240.5441  0.0189 -4.0247 3  445.6519664  595161404412417 0    402318 0      C-13-H3C(O)CH3
  815263.4585  0.0335 -5.7163 3  153.4154504  59516140431 229 0    30 030 0      C-13-H3C(O)CH3
  815263.4585  0.0335 -5.7163 3  153.4154504  59516140431 329 0    30 130 0      C-13-H3C(O)CH3
  815281.3938  0.0101 -4.9732 3  576.7480744  595161404463016 1    452916 1      C-13-H3C(O)CH3
  815289.6501  0.0163 -5.9536 3 1138.3400652  59516140481 477 4    80 476 4      C-13-H3C(O)CH3
  815289.6501  0.0163 -4.5012 3 1138.3400652  59516140481 477 4    80 576 4      C-13-H3C(O)CH3
  815289.6501  0.0163 -5.9536 3 1138.3400652  59516140481 577 4    80 576 4      C-13-H3C(O)CH3
  815289.6501  0.0163 -4.5012 3 1138.3400652  59516140481 577 4    80 476 4      C-13-H3C(O)CH3
  815289.6926  0.0163 -4.5967 3 1138.3400652  59516140481 577 3    80 576 3      C-13-H3C(O)CH3
  815289.6926  0.0163 -4.5967 3 1138.3400652  59516140481 477 3    80 476 3      C-13-H3C(O)CH3
  815289.6926  0.0163 -5.1344 3 1138.3400652  59516140481 577 3    80 476 3      C-13-H3C(O)CH3
  815289.6926  0.0163 -5.1344 3 1138.3400652  59516140481 477 3    80 576 3      C-13-H3C(O)CH3
  815304.5992  0.0267 -4.6290 3 1138.3694D04  59516140481 477 1    80 476 1      C-13-H3C(O)CH3
  815304.5992  0.0267 -4.3789 3 1138.3694D04  59516140481 477 1    80 576 1      C-13-H3C(O)CH3
  815304.5992  0.0267 -4.3789 3 1138.3694D04  59516140481 577 1    80 476 1      C-13-H3C(O)CH3
  815304.5992  0.0267 -4.6290 3 1138.3694D04  59516140481 577 1    80 576 1      C-13-H3C(O)CH3
  815304.7471  0.0269 -4.2657 3 1138.3692D04  59516140481 477 2    80 576 2      C-13-H3C(O)CH3
  815304.7471  0.0269 -4.9891 3 1138.3692D04  59516140481 477 2    80 476 2      C-13-H3C(O)CH3
  815304.7471  0.0269 -4.9565 3 1138.3692D04  59516140481 577 2    80 576 2      C-13-H3C(O)CH3
  815304.7471  0.0269 -4.2594 3 1138.3692D04  59516140481 577 2    80 476 2      C-13-H3C(O)CH3
  815317.2074  0.0174 -4.1877 3 1138.3986D04 -59516140481 477 0    80 476 0      C-13-H3C(O)CH3
  815319.6556  0.0174 -4.1877 3 1138.3986D04  59516140481 577 0    80 576 0      C-13-H3C(O)CH3
  815322.7564  0.0456 -3.9968 3  494.4905696  595161404432617 2    422518 2      C-13-H3C(O)CH3
  815346.3771  0.0189 -3.8484 3  599.7696760  595161404473018 0    462917 0      C-13-H3C(O)CH3
  815401.3690  0.0272 -4.3176 3 1103.4735B92  595161404741262 0    731361 0      C-13-H3C(O)CH3
  815401.3690  0.0272 -4.3176 3 1103.4735B92  595161404741362 0    731261 0      C-13-H3C(O)CH3
  815401.3690  0.0272 -4.9180 3 1103.4735B92  595161404741262 0    731261 0      C-13-H3C(O)CH3
  815401.3690  0.0272 -4.9180 3 1103.4735B92  595161404741362 0    731361 0      C-13-H3C(O)CH3
  815409.4280  0.0146 -4.6586 3  576.7512744  595161404463016 2    452916 2      C-13-H3C(O)CH3
  815416.2436  0.0088 -3.9880 3  371.7426616  595161404382018 2    371919 2      C-13-H3C(O)CH3
  815434.1563  0.0434 -4.3210 3  469.7586340  595161404422517 3    412418 3      C-13-H3C(O)CH3
  815434.3486  0.0069 -3.9882 3  371.7712616  595161404382018 0    371919 0      C-13-H3C(O)CH3
  815434.9567  0.0364 -5.0730 3 1103.4619B92  595161404741262 2    731261 2      C-13-H3C(O)CH3
  815434.9567  0.0364 -4.2860 3 1103.4619B92  595161404741262 2    731361 2      C-13-H3C(O)CH3
  815434.9567  0.0364 -4.2860 3 1103.4619B92  595161404741362 2    731261 2      C-13-H3C(O)CH3
  815434.9567  0.0364 -5.0730 3 1103.4619B92  595161404741362 2    731361 2      C-13-H3C(O)CH3
  815435.0000  0.0377 -4.2292 3 1103.4621B92  595161404741362 1    731261 1      C-13-H3C(O)CH3
  815435.0000  0.0377 -5.9119 3 1103.4621B92  595161404741362 1    731361 1      C-13-H3C(O)CH3
  815435.0000  0.0377 -5.9119 3 1103.4621B92  595161404741262 1    731261 1      C-13-H3C(O)CH3
  815435.0000  0.0377 -4.2292 3 1103.4621B92  595161404741262 1    731361 1      C-13-H3C(O)CH3
  815446.2568  0.0430 -4.3211 3  469.7585340  595161404422517 4    412418 4      C-13-H3C(O)CH3
  815451.0591  0.0393 -4.5629 3 1019.1622A64  595161404662245 0    652144 0      C-13-H3C(O)CH3
  815451.0591  0.0393 -4.4653 3 1019.1622A64  595161404662145 0    652144 0      C-13-H3C(O)CH3
  815451.0591  0.0393 -4.5629 3 1019.1622A64  595161404662145 0    652244 0      C-13-H3C(O)CH3
  815451.0591  0.0393 -4.4653 3 1019.1622A64  595161404662245 0    652244 0      C-13-H3C(O)CH3
  815453.7491  0.0098 -4.2887 3  371.7179308  595161404382018 3    371919 3      C-13-H3C(O)CH3
  815454.6939  0.0097 -4.2887 3  371.7179308  595161404382018 4    371919 4      C-13-H3C(O)CH3
  815468.6163  0.0337 -5.4502 3 1103.4505596  595161404741262 3    731361 3      C-13-H3C(O)CH3
  815468.6163  0.0337 -4.5757 3 1103.4505596  595161404741262 3    731261 3      C-13-H3C(O)CH3
  815468.6163  0.0337 -4.5757 3 1103.4505596  595161404741362 3    731361 3      C-13-H3C(O)CH3
  815468.6163  0.0337 -5.4502 3 1103.4505596  595161404741362 3    731261 3      C-13-H3C(O)CH3
  815468.6636  0.0337 -6.1179 3 1103.4505596  595161404741362 4    731261 4      C-13-H3C(O)CH3
  815468.6636  0.0337 -6.1179 3 1103.4505596  595161404741262 4    731361 4      C-13-H3C(O)CH3
  815468.6636  0.0337 -4.5324 3 1103.4505596  595161404741362 4    731361 4      C-13-H3C(O)CH3
  815468.6636  0.0337 -4.5324 3 1103.4505596  595161404741262 4    731261 4      C-13-H3C(O)CH3
  815471.7952  0.0074 -3.9879 3  371.7466616  595161404382018 1    371919 1      C-13-H3C(O)CH3
  815479.7805  0.0105 -5.8718 3  576.7412372  595161404463016 3    452916 3      C-13-H3C(O)CH3
  815488.6018  0.0397 -4.9622 3 1019.1704A64  595161404662245 1    652144 1      C-13-H3C(O)CH3
  815488.6018  0.0397 -4.2950 3 1019.1704A64  595161404662245 1    652244 1      C-13-H3C(O)CH3
  815488.6018  0.0397 -4.9622 3 1019.1704A64  595161404662145 1    652244 1      C-13-H3C(O)CH3
  815488.6018  0.0397 -4.2950 3 1019.1704A64  595161404662145 1    652144 1      C-13-H3C(O)CH3
  815489.9712  0.0405 -4.2152 3 1019.1708A64  595161404662245 2    652244 2      C-13-H3C(O)CH3
  815489.9712  0.0405 -4.2152 3 1019.1708A64  595161404662145 2    652144 2      C-13-H3C(O)CH3
  815512.5598  0.0414 -4.0207 3  469.7787680  595161404422517 2    412418 2      C-13-H3C(O)CH3
  815527.5569  0.0401 -5.8092 3 1019.1790532  595161404662145 3    652244 3      C-13-H3C(O)CH3
  815527.5569  0.0401 -4.5339 3 1019.1790532  595161404662145 3    652144 3      C-13-H3C(O)CH3
  815527.5569  0.0401 -4.5339 3 1019.1790532  595161404662245 3    652244 3      C-13-H3C(O)CH3
  815527.5569  0.0401 -5.8092 3 1019.1790532  595161404662245 3    652144 3      C-13-H3C(O)CH3
  815527.6287  0.0401 -4.5124 3 1019.1790532  595161404662145 4    652244 4      C-13-H3C(O)CH3
  815527.6287  0.0401 -4.5124 3 1019.1790532  595161404662245 4    652144 4      C-13-H3C(O)CH3
  815564.3898  0.0154 -3.8513 3  599.7595760  595161404473018 1    462917 1      C-13-H3C(O)CH3
  815623.2517  0.0225 -3.9981 3  494.4952696 -595161404432617 1    422518 1      C-13-H3C(O)CH3
  815666.5928  0.7641 -5.7486 3 1156.0833524  595161404654025 3    644124 3      C-13-H3C(O)CH3
  815694.8807  0.0223 -3.8548 3  599.7564760  595161404473018 2    462917 2      C-13-H3C(O)CH3
  815696.9340  0.0200 -4.6041 3  576.7495372  595161404463016 4    452916 4      C-13-H3C(O)CH3
  815727.3569  0.0237 -3.9991 3  494.5135696 -595161404432617 0    422518 0      C-13-H3C(O)CH3
  815754.8116  0.0182 -4.1703 3  599.7482380  595161404473018 4    462917 4      C-13-H3C(O)CH3
  815812.9723  0.6321 -5.7688 3 1156.0792524  595161404654025 4    644124 4      C-13-H3C(O)CH3
  815835.7782  0.0211 -4.0216 3  469.7839680  595161404422517 1    412418 1      C-13-H3C(O)CH3
  815912.1237  0.0221 -4.0223 3  469.8039680  595161404422517 0    412418 0      C-13-H3C(O)CH3
  816065.1434  0.0284 -4.1470 3  599.7447380  595161404473018 3    462917 3      C-13-H3C(O)CH3
  816228.3224  0.0486 -4.2543 3  519.7566356  595161404442717 3    432618 3      C-13-H3C(O)CH3
  816235.8134  0.0067 -3.9877 3  371.7701616  595161404382118 0    371819 0      C-13-H3C(O)CH3
  816242.9324  0.0080 -3.9875 3  371.7415616  595161404382118 2    371819 2      C-13-H3C(O)CH3
  816265.9152  0.0447 -4.2550 3  519.7561356  595161404442717 4    432618 4      C-13-H3C(O)CH3
  816277.2159  0.0071 -3.9874 3  371.7454616  595161404382118 1    371819 1      C-13-H3C(O)CH3
  816284.3060  0.0087 -4.2882 3  371.7167308  595161404382118 4    371819 4      C-13-H3C(O)CH3
  816284.7068  0.0087 -4.2882 3  371.7168308  595161404382118 3    371819 3      C-13-H3C(O)CH3
  816324.5632  0.0052 -3.2856 3  542.3794680  5951614044238 5 0    4137 5 0      C-13-H3C(O)CH3
  816324.5632  0.0052 -3.2856 3  542.3794680  5951614044238 4 0    4137 4 0      C-13-H3C(O)CH3
  816344.4818  0.0445 -3.9548 3  519.7726712  595161404442717 2    432618 2      C-13-H3C(O)CH3
  816394.5656  0.0398 -4.2170 3 1033.7548A80  595161404672147 0    662046 0      C-13-H3C(O)CH3
  816394.5656  0.0398 -4.2170 3 1033.7548A80  595161404672047 0    662146 0      C-13-H3C(O)CH3
  816420.5736  0.0053 -3.2855 3  542.3460680 -5951614044238 5 2    4137 5 2      C-13-H3C(O)CH3
  816432.1775  0.0402 -4.2405 3 1033.7622A80  595161404672147 1    662146 1      C-13-H3C(O)CH3
  816432.1775  0.0402 -5.4891 3 1033.7622A80  595161404672147 1    662046 1      C-13-H3C(O)CH3
  816432.1775  0.0402 -5.4891 3 1033.7622A80  595161404672047 1    662146 1      C-13-H3C(O)CH3
  816432.1775  0.0402 -4.2405 3 1033.7622A80  595161404672047 1    662046 1      C-13-H3C(O)CH3
  816433.3679  0.0408 -4.3164 3 1033.7625A80  595161404672047 2    662146 2      C-13-H3C(O)CH3
  816433.3679  0.0408 -4.3164 3 1033.7625A80  595161404672147 2    662046 2      C-13-H3C(O)CH3
  816433.3679  0.0408 -4.9044 3 1033.7625A80  595161404672147 2    662146 2      C-13-H3C(O)CH3
  816433.3679  0.0408 -4.9044 3 1033.7625A80  595161404672047 2    662046 2      C-13-H3C(O)CH3
  816456.4636  0.0057 -3.2855 3  542.3783680 -5951614044238 4 2    4137 4 2      C-13-H3C(O)CH3
  816471.0218  0.0406 -4.5510 3 1033.7699540  595161404672147 3    662146 3      C-13-H3C(O)CH3
  816471.0218  0.0406 -4.5510 3 1033.7699540  595161404672047 3    662046 3      C-13-H3C(O)CH3
  816471.0218  0.0406 -5.6492 3 1033.7699540  595161404672047 3    662146 3      C-13-H3C(O)CH3
  816471.0218  0.0406 -5.6492 3 1033.7699540  595161404672147 3    662046 3      C-13-H3C(O)CH3
  816471.0924  0.0407 -4.5191 3 1033.7699540  595161404672147 4    662146 4      C-13-H3C(O)CH3
  816471.0924  0.0407 -4.5191 3 1033.7699540  595161404672047 4    662046 4      C-13-H3C(O)CH3
  816495.8167  0.0054 -3.2854 3  542.3413680 -5951614044238 5 1    4137 5 1      C-13-H3C(O)CH3
  816504.4705  0.0121 -4.5431 3 1143.6734660 -59516140482 479 3    81 378 3      C-13-H3C(O)CH3
  816504.4705  0.0121 -4.4851 3 1143.6734660 -59516140482 479 4    81 378 4      C-13-H3C(O)CH3
  816504.4705  0.0121 -4.5431 3 1143.6734660 -59516140482 379 3    81 478 3      C-13-H3C(O)CH3
  816504.5836  0.0121 -4.4851 3 1143.6734660  59516140482 379 4    81 478 4      C-13-H3C(O)CH3
  816504.6151  0.0121 -5.3747 3 1143.6734660  59516140482 479 3    81 478 3      C-13-H3C(O)CH3
  816504.6151  0.0121 -5.3747 3 1143.6734660  59516140482 379 3    81 378 3      C-13-H3C(O)CH3
  816508.8212  0.0055 -3.2854 3  542.3949680 -5951614044238 4 1    4137 4 1      C-13-H3C(O)CH3
  816525.8836  0.0158 -4.4260 3 1143.6948D20  59516140482 379 1    81 378 1      C-13-H3C(O)CH3
  816525.8836  0.0158 -4.5496 3 1143.6948D20  59516140482 479 1    81 378 1      C-13-H3C(O)CH3
  816525.9166  0.0171 -4.6827 3 1143.6944D20  59516140482 379 2    81 478 2      C-13-H3C(O)CH3
  816525.9166  0.0171 -4.6827 3 1143.6944D20  59516140482 479 2    81 378 2      C-13-H3C(O)CH3
  816525.9794  0.0171 -4.3474 3 1143.6944D20 -59516140482 379 2    81 378 2      C-13-H3C(O)CH3
  816525.9794  0.0158 -4.4260 3 1143.6948D20 -59516140482 479 1    81 478 1      C-13-H3C(O)CH3
  816525.9794  0.0171 -4.3474 3 1143.6944D20 -59516140482 479 2    81 478 2      C-13-H3C(O)CH3
  816525.9794  0.0158 -4.5496 3 1143.6948D20 -59516140482 379 1    81 478 1      C-13-H3C(O)CH3
  816539.0522  0.0268 -4.2666 3 1113.1117C08  595161404751264 0    741163 0      C-13-H3C(O)CH3
  816539.0522  0.0268 -5.2470 3 1113.1117C08  595161404751264 0    741263 0      C-13-H3C(O)CH3
  816539.0522  0.0268 -4.2666 3 1113.1117C08  595161404751164 0    741263 0      C-13-H3C(O)CH3
  816539.0522  0.0268 -5.2470 3 1113.1117C08  595161404751164 0    741163 0      C-13-H3C(O)CH3
  816539.1848  0.5399 -5.4533 3 1156.0491A48  595161404654025 1    644124 1      C-13-H3C(O)CH3
  816544.2055  0.0067 -4.4401 3  284.3482284  595161404351322 4    341223 4      C-13-H3C(O)CH3
  816544.2065  0.0067 -4.4401 3  284.3482284  595161404351422 4    341123 4      C-13-H3C(O)CH3
  816544.6144  0.0062 -4.4401 3  284.3482284  595161404351322 3    341223 3      C-13-H3C(O)CH3
  816544.6154  0.0062 -4.4401 3  284.3482284  595161404351422 3    341123 3      C-13-H3C(O)CH3
  816547.1750  0.0118 -4.1825 3 1143.7158D20  59516140482 379 0    81 478 0      C-13-H3C(O)CH3
  816547.1750  0.0118 -4.1825 3 1143.7158D20  59516140482 479 0    81 378 0      C-13-H3C(O)CH3
  816569.8113  0.0394 -4.2236 3 1113.0964C08  595161404751264 2    741263 2      C-13-H3C(O)CH3
  816569.8113  0.0394 -4.2236 3 1113.0964C08  595161404751164 2    741163 2      C-13-H3C(O)CH3
  816569.9037  0.0410 -4.4094 3 1113.0966C08  595161404751164 1    741163 1      C-13-H3C(O)CH3
  816569.9037  0.0410 -4.4094 3 1113.0966C08  595161404751264 1    741263 1      C-13-H3C(O)CH3
  816569.9037  0.0410 -4.6812 3 1113.0966C08  595161404751264 1    741163 1      C-13-H3C(O)CH3
  816569.9037  0.0410 -4.6812 3 1113.0966C08  595161404751164 1    741263 1      C-13-H3C(O)CH3
  816581.6993  0.0225 -3.9563 3  519.7765712  595161404442717 1    432618 1      C-13-H3C(O)CH3
  816591.7656  0.0080 -3.5863 3  542.3080340  5951614044238 5 4    4137 5 4      C-13-H3C(O)CH3
  816600.6880  0.0327 -4.5246 3 1113.0814604  595161404751264 3    741163 3      C-13-H3C(O)CH3
  816600.6880  0.0327 -4.5246 3 1113.0814604  595161404751164 3    741263 3      C-13-H3C(O)CH3
  816600.7272  0.0327 -4.5274 3 1113.0813604  595161404751164 4    741163 4      C-13-H3C(O)CH3
  816600.7272  0.0327 -4.5274 3 1113.0813604  595161404751264 4    741263 4      C-13-H3C(O)CH3
  816604.2829  0.0076 -3.5864 3  542.3615340  5951614044238 4 3    4137 4 3      C-13-H3C(O)CH3
  816627.0201  0.0078 -3.5863 3  542.3403340  5951614044238 5 3    4137 5 3      C-13-H3C(O)CH3
  816640.1011  0.0078 -3.5863 3  542.3937340  5951614044238 4 4    4137 4 4      C-13-H3C(O)CH3
  816664.3451  0.0060 -4.1391 3  284.3676568  595161404351322 2    341223 2      C-13-H3C(O)CH3
  816664.3461  0.0060 -4.1391 3  284.3676568  595161404351422 2    341123 2      C-13-H3C(O)CH3
  816676.0660  0.0087 -3.9957 3  398.9712632  595161404392317 0    382018 0      C-13-H3C(O)CH3
  816677.5448  0.0061 -4.1391 3  284.3691568  595161404351322 1    341223 1      C-13-H3C(O)CH3
  816677.5458  0.0061 -4.1391 3  284.3691568  595161404351422 1    341123 1      C-13-H3C(O)CH3
  816683.5937  0.0232 -3.9575 3  519.7927712  595161404442717 0    432618 0      C-13-H3C(O)CH3
  816731.6307  0.7418 -5.4513 3 1156.0462A48  595161404654025 2    644124 2      C-13-H3C(O)CH3
  816745.1729  0.0085 -3.9954 3  398.9478632  595161404392317 1    382018 1      C-13-H3C(O)CH3
  816754.2743  0.0088 -3.9957 3  398.9420632  595161404392317 2    382018 2      C-13-H3C(O)CH3
  816797.0879  0.0056 -4.1390 3  284.3885568  595161404351322 0    341223 0      C-13-H3C(O)CH3
  816797.0888  0.0056 -4.1390 3  284.3885568  595161404351422 0    341123 0      C-13-H3C(O)CH3
  816820.6519  0.0086 -4.2965 3  398.9185316  595161404392317 4    382018 4      C-13-H3C(O)CH3
  816824.9904  0.0087 -4.2965 3  398.9185316  595161404392317 3    382018 3      C-13-H3C(O)CH3
  817067.5213  0.0208 -6.0736 3  264.5493504  5951614043124 8 1    3021 9 1      C-13-H3C(O)CH3
  817110.9665  0.0292 -6.1239 3  264.5261252  5951614043124 8 3    3021 9 3      C-13-H3C(O)CH3
  817241.3979  0.0161 -5.3942 3  264.5261252  5951614043124 7 3    3021 9 3      C-13-H3C(O)CH3
  817307.6148  0.0172 -5.3470 3  264.5328252  5951614043124 7 4    3021 9 4      C-13-H3C(O)CH3
  817376.3789  0.0398 -4.2446 3 1047.7884A96  595161404682049 0    671948 0      C-13-H3C(O)CH3
  817376.3789  0.0398 -5.5368 3 1047.7884A96  595161404682049 0    672048 0      C-13-H3C(O)CH3
  817376.3789  0.0398 -4.2446 3 1047.7884A96  595161404681949 0    672048 0      C-13-H3C(O)CH3
  817376.3789  0.0398 -5.5368 3 1047.7884A96  595161404681949 0    671948 0      C-13-H3C(O)CH3
  817414.1435  0.0401 -4.4336 3 1047.7947A96  595161404682049 1    672048 1      C-13-H3C(O)CH3
  817414.1435  0.0401 -4.6384 3 1047.7947A96  595161404682049 1    671948 1      C-13-H3C(O)CH3
  817414.1435  0.0401 -4.4336 3 1047.7947A96  595161404681949 1    671948 1      C-13-H3C(O)CH3
  817414.1435  0.0401 -4.6384 3 1047.7947A96  595161404681949 1    672048 1      C-13-H3C(O)CH3
  817415.1579  0.0407 -4.2248 3 1047.7950A96  595161404682049 2    672048 2      C-13-H3C(O)CH3
  817415.1579  0.0407 -4.2248 3 1047.7950A96  595161404681949 2    671948 2      C-13-H3C(O)CH3
  817452.9637  0.0408 -4.7981 3 1047.8012548  595161404681949 3    672048 3      C-13-H3C(O)CH3
  817452.9637  0.0408 -4.7981 3 1047.8012548  595161404682049 3    671948 3      C-13-H3C(O)CH3
  817452.9637  0.0408 -4.8537 3 1047.8012548  595161404682049 3    672048 3      C-13-H3C(O)CH3
  817452.9637  0.0408 -4.8537 3 1047.8012548  595161404681949 3    671948 3      C-13-H3C(O)CH3
  817453.0332  0.0409 -5.1815 3 1047.8012548  595161404682049 4    672048 4      C-13-H3C(O)CH3
  817453.0332  0.0409 -4.6319 3 1047.8012548  595161404682049 4    671948 4      C-13-H3C(O)CH3
  817453.0332  0.0409 -5.1815 3 1047.8012548  595161404681949 4    671948 4      C-13-H3C(O)CH3
  817453.0332  0.0409 -4.6319 3 1047.8012548  595161404681949 4    672048 4      C-13-H3C(O)CH3
  817465.1224  0.0131 -5.0614 3  264.5493504  5951614043124 7 1    3021 9 1      C-13-H3C(O)CH3
  817521.6124  0.0232 -5.5799 3  264.5510504  5951614043124 8 2    3021 9 2      C-13-H3C(O)CH3
  817537.5112  0.5770 -5.4466 3 1156.0143A48  595161404654025 0    644124 0      C-13-H3C(O)CH3
  817689.9338  0.0273 -4.2276 3 1122.2133C24  595161404761166 0    751165 0      C-13-H3C(O)CH3
  817689.9338  0.0273 -4.2276 3 1122.2133C24  595161404761066 0    751065 0      C-13-H3C(O)CH3
  817716.9977  0.0430 -5.4582 3 1122.1941C24  595161404761066 2    751065 2      C-13-H3C(O)CH3
  817716.9977  0.0430 -4.2520 3 1122.1941C24  595161404761066 2    751165 2      C-13-H3C(O)CH3
  817716.9977  0.0430 -5.4582 3 1122.1941C24  595161404761166 2    751165 2      C-13-H3C(O)CH3
  817716.9977  0.0430 -4.2520 3 1122.1941C24  595161404761166 2    751065 2      C-13-H3C(O)CH3
  817717.0976  0.0448 -4.2291 3 1122.1943C24  595161404761166 1    751065 1      C-13-H3C(O)CH3
  817717.0976  0.0448 -4.2291 3 1122.1943C24  595161404761066 1    751165 1      C-13-H3C(O)CH3
  817724.9137  0.0153 -5.3422 3  264.4967252  5951614043124 8 4    302110 4      C-13-H3C(O)CH3
  817733.1455  0.0092 -5.0327 3 1148.4825668  59516140483 381 4    82 280 4      C-13-H3C(O)CH3
  817733.1455  0.0092 -5.0327 3 1148.4825668  59516140483 281 4    82 380 4      C-13-H3C(O)CH3
  817733.1455  0.0092 -4.6226 3 1148.4825668  59516140483 381 4    82 380 4      C-13-H3C(O)CH3
  817733.1455  0.0092 -4.6226 3 1148.4825668  59516140483 281 4    82 280 4      C-13-H3C(O)CH3
  817733.1507  0.0092 -4.4980 3 1148.4825668  59516140483 281 3    82 280 3      C-13-H3C(O)CH3
  817733.1507  0.0092 -5.8680 3 1148.4825668  59516140483 281 3    82 380 3      C-13-H3C(O)CH3
  817733.1507  0.0092 -4.4980 3 1148.4825668  59516140483 381 3    82 380 3      C-13-H3C(O)CH3
  817733.1507  0.0092 -5.8680 3 1148.4825668  59516140483 381 3    82 280 3      C-13-H3C(O)CH3
  817744.1832  0.0317 -4.5870 3 1122.1751612  595161404761166 3    751065 3      C-13-H3C(O)CH3
  817744.1832  0.0317 -5.4147 3 1122.1751612  595161404761166 3    751165 3      C-13-H3C(O)CH3
  817744.1832  0.0317 -5.0571 3 1122.1751612  595161404761066 3    751165 3      C-13-H3C(O)CH3
  817744.1832  0.0317 -4.6785 3 1122.1751612  595161404761066 3    751065 3      C-13-H3C(O)CH3
  817744.2124  0.0317 -4.5268 3 1122.1750612  595161404761166 4    751165 4      C-13-H3C(O)CH3
  817744.2124  0.0317 -4.5268 3 1122.1750612  595161404761066 4    751065 4      C-13-H3C(O)CH3
  817757.0588  0.0121 -4.9025 3 1148.4885D36 -59516140483 381 1    82 280 1      C-13-H3C(O)CH3
  817757.0588  0.0144 -4.4744 3 1148.4881D36 -59516140483 381 2    82 380 2      C-13-H3C(O)CH3
  817757.0588  0.0144 -4.4854 3 1148.4881D36 -59516140483 381 2    82 280 2      C-13-H3C(O)CH3
  817757.0588  0.0121 -4.2698 3 1148.4885D36 -59516140483 381 1    82 380 1      C-13-H3C(O)CH3
  817757.0588  0.0121 -4.9025 3 1148.4885D36 -59516140483 281 1    82 380 1      C-13-H3C(O)CH3
  817757.0588  0.0144 -4.4744 3 1148.4881D36 -59516140483 281 2    82 280 2      C-13-H3C(O)CH3
  817757.0588  0.0144 -4.4854 3 1148.4881D36 -59516140483 281 2    82 380 2      C-13-H3C(O)CH3
  817757.0588  0.0121 -4.2698 3 1148.4885D36 -59516140483 281 1    82 280 1      C-13-H3C(O)CH3
  817780.8185  0.0094 -5.0013 3 1148.4941D36  59516140483 281 0    82 380 0      C-13-H3C(O)CH3
  817780.8185  0.0094 -4.2497 3 1148.4941D36  59516140483 381 0    82 380 0      C-13-H3C(O)CH3
  817780.8611  0.0094 -5.0013 3 1148.4941D36 -59516140483 381 0    82 280 0      C-13-H3C(O)CH3
  817780.8611  0.0094 -4.2497 3 1148.4941D36 -59516140483 281 0    82 280 0      C-13-H3C(O)CH3
  817787.2267  0.0158 -5.3954 3  264.5035252  5951614043124 8 3    302110 3      C-13-H3C(O)CH3
  817788.6968  0.0149 -5.1640 3  264.5510504  5951614043124 7 2    3021 9 2      C-13-H3C(O)CH3
  817866.4267  0.0126 -5.0232 3  264.5700504  5951614043124 8 0    3021 9 0      C-13-H3C(O)CH3
  817917.6581  0.0295 -6.1219 3  264.5035252  5951614043124 7 3    302110 3      C-13-H3C(O)CH3
  817928.7901  0.0125 -5.0596 3  264.5206504  5951614043124 8 1    302110 1      C-13-H3C(O)CH3
  817983.7102  0.0050 -3.3529 3  547.9107696 -5951614044336 7 0    4235 8 0      C-13-H3C(O)CH3
  817983.7102  0.0050 -3.3529 3  547.9107696 -5951614044336 8 0    4235 7 0      C-13-H3C(O)CH3
  818058.3480  0.0155 -5.1609 3  264.5331504  5951614043124 8 2    302110 2      C-13-H3C(O)CH3
  818070.1085  0.0056 -3.3530 3  547.9173696 -5951614044336 7 2    4235 7 2      C-13-H3C(O)CH3
  818075.3462  0.0055 -3.3529 3  547.8966696 -5951614044336 8 2    4235 8 2      C-13-H3C(O)CH3
  818111.8116  0.0055 -3.3528 3  547.8802696 -5951614044336 8 1    4235 8 1      C-13-H3C(O)CH3
  818134.8586  0.0057 -3.3528 3  547.9175696 -5951614044336 7 1    4235 7 1      C-13-H3C(O)CH3
  818198.2381  0.0076 -3.6539 3  547.8868348  5951614044336 8 3    4235 8 3      C-13-H3C(O)CH3
  818204.1021  0.0076 -3.6539 3  547.8660348  5951614044336 8 4    4235 8 4      C-13-H3C(O)CH3
  818219.7494  0.0080 -4.9704 3  576.5376744  595161404463017 1    452917 1      C-13-H3C(O)CH3
  818220.6546  0.0080 -3.6539 3  547.9241348  5951614044336 7 4    4235 7 4      C-13-H3C(O)CH3
  818226.4785  0.0076 -3.6538 3  547.9034348  5951614044336 7 3    4235 7 3      C-13-H3C(O)CH3
  818230.1035  0.0135 -4.6013 3  576.5281372  595161404463017 4    452917 4      C-13-H3C(O)CH3
  818233.2562  0.0097 -4.6555 3  576.5392744  595161404463017 2    452917 2      C-13-H3C(O)CH3
  818325.4324  0.0218 -5.5823 3  264.5331504  5951614043124 7 2    302110 2      C-13-H3C(O)CH3
  818326.3911  0.0198 -6.0742 3  264.5206504  5951614043124 7 1    302110 1      C-13-H3C(O)CH3
  818345.2681  0.0125 -5.0229 3  264.5541504  5951614043124 7 0    302110 0      C-13-H3C(O)CH3
  818389.3341  0.0393 -4.2292 3 1061.2676B12  595161404691951 0    681850 0      C-13-H3C(O)CH3
  818389.3341  0.0393 -4.2292 3 1061.2676B12  595161404691851 0    681950 0      C-13-H3C(O)CH3
  818427.2645  0.0396 -5.8287 3 1061.2725B12  595161404691951 1    681850 1      C-13-H3C(O)CH3
  818427.2645  0.0396 -4.2403 3 1061.2725B12  595161404691951 1    681950 1      C-13-H3C(O)CH3
  818427.2645  0.0396 -4.2403 3 1061.2725B12  595161404691851 1    681850 1      C-13-H3C(O)CH3
  818427.2645  0.0396 -5.8287 3 1061.2725B12  595161404691851 1    681950 1      C-13-H3C(O)CH3
  818428.1020  0.0402 -4.2292 3 1061.2727B12  595161404691951 2    681950 2      C-13-H3C(O)CH3
  818428.1020  0.0402 -4.2292 3 1061.2727B12  595161404691851 2    681850 2      C-13-H3C(O)CH3
  818445.9650  0.0078 -5.8679 3  576.5365372  595161404463017 3    452917 3      C-13-H3C(O)CH3
  818466.0726  0.0408 -5.6586 3 1061.2776556  595161404691951 3    681850 3      C-13-H3C(O)CH3
  818466.0726  0.0408 -4.5638 3 1061.2776556  595161404691951 3    681950 3      C-13-H3C(O)CH3
  818466.0726  0.0408 -5.6586 3 1061.2776556  595161404691851 3    681950 3      C-13-H3C(O)CH3
  818466.0726  0.0408 -4.5638 3 1061.2776556  595161404691851 3    681850 3      C-13-H3C(O)CH3
  818466.1408  0.0408 -4.5512 3 1061.2776556  595161404691951 4    681850 4      C-13-H3C(O)CH3
  818466.1408  0.0408 -5.8583 3 1061.2776556  595161404691951 4    681950 4      C-13-H3C(O)CH3
  818466.1408  0.0408 -5.8583 3 1061.2776556  595161404691851 4    681850 4      C-13-H3C(O)CH3
  818466.1408  0.0408 -4.5512 3 1061.2776556  595161404691851 4    681950 4      C-13-H3C(O)CH3
  818511.8185  0.0095 -4.6570 3  308.1214552  595161404342311 1    332014 1      C-13-H3C(O)CH3
  818655.3761  0.0097 -4.6570 3  308.1407552  595161404342311 0    332014 0      C-13-H3C(O)CH3
  818672.0979  0.0129 -4.9603 3  308.0968276  595161404342311 4    332014 4      C-13-H3C(O)CH3
  818712.3774  0.0132 -4.9729 3  308.0969276  595161404342311 3    332014 3      C-13-H3C(O)CH3
  818841.5563  0.0118 -4.6663 3  308.1163552  595161404342311 2    332014 2      C-13-H3C(O)CH3
  818852.9438  0.0283 -4.6525 3 1130.7793C40 -595161404771068 0    76 967 0      C-13-H3C(O)CH3
  818852.9438  0.0283 -4.4325 3 1130.7793C40 -595161404771068 0    761067 0      C-13-H3C(O)CH3
  818852.9438  0.0283 -4.6525 3 1130.7793C40 -59516140477 968 0    761067 0      C-13-H3C(O)CH3
  818853.6495  0.0283 -4.4325 3 1130.7793C40  59516140477 968 0    76 967 0      C-13-H3C(O)CH3
  818858.8294  0.4692 -5.1386 3  944.9910476  595161404593524 3    583623 3      C-13-H3C(O)CH3
  818876.0325  0.0465 -4.2294 3 1130.7561C40  595161404771068 2    76 967 2      C-13-H3C(O)CH3
  818876.0325  0.0465 -4.2294 3 1130.7561C40  59516140477 968 2    761067 2      C-13-H3C(O)CH3
  818876.0997  0.0484 -4.2328 3 1130.7563C40  595161404771068 1    76 967 1      C-13-H3C(O)CH3
  818876.0997  0.0484 -4.2328 3 1130.7563C40  59516140477 968 1    761067 1      C-13-H3C(O)CH3
  818898.5007  0.0306 -4.8227 3 1130.7331620  595161404771068 3    761067 3      C-13-H3C(O)CH3
  818898.5007  0.0306 -4.8367 3 1130.7331620  59516140477 968 3    761067 3      C-13-H3C(O)CH3
  818898.5007  0.0306 -4.8227 3 1130.7331620  59516140477 968 3    76 967 3      C-13-H3C(O)CH3
  818898.5007  0.0306 -4.8367 3 1130.7331620  595161404771068 3    76 967 3      C-13-H3C(O)CH3
  818898.5178  0.0307 -4.5811 3 1130.7330620  59516140477 968 4    761067 4      C-13-H3C(O)CH3
  818898.5178  0.0307 -4.5811 3 1130.7330620  595161404771068 4    76 967 4      C-13-H3C(O)CH3
  818898.5178  0.0307 -5.4723 3 1130.7330620  595161404771068 4    761067 4      C-13-H3C(O)CH3
  818898.5178  0.0307 -5.4723 3 1130.7330620  59516140477 968 4    76 967 4      C-13-H3C(O)CH3
  818935.8384  0.4428 -5.1400 3  944.9888476  595161404593524 4    583623 4      C-13-H3C(O)CH3
  818977.7932  0.0101 -4.4841 3 1152.7704676  59516140484 283 3    83 182 3      C-13-H3C(O)CH3
  818977.7932  0.0101 -4.4841 3 1152.7704676  59516140484 183 3    83 282 3      C-13-H3C(O)CH3
  818977.8138  0.0101 -4.4793 3 1152.7705676  59516140484 183 4    83 282 4      C-13-H3C(O)CH3
  818977.8138  0.0101 -4.4793 3 1152.7705676  59516140484 283 4    83 182 4      C-13-H3C(O)CH3
  818997.0250  0.0166 -4.4262 3 1152.7498D52  59516140484 283 2    83 182 2      C-13-H3C(O)CH3
  818997.0250  0.0166 -4.5312 3 1152.7498D52  59516140484 283 2    83 282 2      C-13-H3C(O)CH3
  818997.0250  0.0166 -4.5312 3 1152.7498D52  59516140484 183 2    83 182 2      C-13-H3C(O)CH3
  818997.0250  0.0166 -4.4262 3 1152.7498D52  59516140484 183 2    83 282 2      C-13-H3C(O)CH3
  818997.0707  0.0134 -4.2270 3 1152.7503D52 -59516140484 283 1    83 282 1      C-13-H3C(O)CH3
  818997.0707  0.0134 -4.2270 3 1152.7503D52 -59516140484 183 1    83 182 1      C-13-H3C(O)CH3
  818997.1940  0.0134 -5.1180 3 1152.7503D52  59516140484 183 1    83 282 1      C-13-H3C(O)CH3
  818997.1940  0.0134 -5.1180 3 1152.7503D52  59516140484 283 1    83 182 1      C-13-H3C(O)CH3
  819016.3750  0.0099 -4.8549 3 1152.7297D52  59516140484 283 0    83 282 0      C-13-H3C(O)CH3
  819016.3750  0.0099 -4.8549 3 1152.7297D52  59516140484 183 0    83 182 0      C-13-H3C(O)CH3
  819016.3764  0.0099 -4.2761 3 1152.7297D52 -59516140484 283 0    83 182 0      C-13-H3C(O)CH3
  819016.3764  0.0099 -4.2761 3 1152.7297D52 -59516140484 183 0    83 282 0      C-13-H3C(O)CH3
  819188.3409  0.0100 -4.7213 3  304.6524552  595161404342212 0    331915 0      C-13-H3C(O)CH3
  819197.5821  0.0047 -3.4371 3  555.2423712 -595161404443410 0    433311 0      C-13-H3C(O)CH3
  819197.5821  0.0047 -3.4371 3  555.2423712 -595161404443411 0    433310 0      C-13-H3C(O)CH3
  819201.0075  0.0098 -4.7214 3  304.6328552  595161404342212 1    331915 1      C-13-H3C(O)CH3
  819275.8372  0.0052 -3.4373 3  555.2629712 -595161404443410 2    433310 2      C-13-H3C(O)CH3
  819276.0117  0.0099 -4.7209 3  304.6269552  595161404342212 2    331915 2      C-13-H3C(O)CH3
  819277.3621  0.0097 -5.0217 3  304.6071276  595161404342212 4    331915 4      C-13-H3C(O)CH3
  819293.5522  0.0101 -5.0223 3  304.6071276  595161404342212 3    331915 3      C-13-H3C(O)CH3
  819308.6898  0.0056 -3.4371 3  555.2213712 -595161404443411 1    433311 1      C-13-H3C(O)CH3
  819317.1347  0.0055 -3.4371 3  555.2388712 -595161404443411 2    433311 2      C-13-H3C(O)CH3
  819325.7103  0.0053 -3.4371 3  555.2498712 -595161404443410 1    433310 1      C-13-H3C(O)CH3
  819387.6675  0.0071 -3.7383 3  555.2418356  595161404443411 3    433311 3      C-13-H3C(O)CH3
  819404.0402  0.0073 -3.7383 3  555.2704356  595161404443410 4    433310 4      C-13-H3C(O)CH3
  819407.1617  0.5655 -6.0732 3 1306.5202556  595161404694327 4    684424 4      C-13-H3C(O)CH3
  819414.1686  0.0055 -3.5509 3  564.6349728 -595161404453214 0    443113 0      C-13-H3C(O)CH3
  819428.1833  0.0382 -4.2357 3 1074.1960B28  595161404701753 0    691752 0      C-13-H3C(O)CH3
  819428.1833  0.0382 -5.5390 3 1074.1960B28  595161404701853 0    691752 0      C-13-H3C(O)CH3
  819428.1833  0.0382 -4.2574 3 1074.1960B28  595161404701853 0    691852 0      C-13-H3C(O)CH3
  819428.4749  0.4210 -6.0682 3 1306.5199556  595161404694327 3    684424 3      C-13-H3C(O)CH3
  819429.0923  0.0076 -3.7381 3  555.2175356  595161404443411 4    433311 4      C-13-H3C(O)CH3
  819445.9417  0.0070 -3.7381 3  555.2462356  595161404443410 3    433310 3      C-13-H3C(O)CH3
  819447.2162  0.0722 -6.0013 3  564.6482364  595161404453214 3    443113 3      C-13-H3C(O)CH3
  819458.4896  0.0054 -3.5508 3  564.6338728  595161404453213 0    443114 0      C-13-H3C(O)CH3
  819466.2144  0.0388 -4.2361 3 1074.1993B28  595161404701753 1    691752 1      C-13-H3C(O)CH3
  819466.2144  0.0388 -4.2361 3 1074.1993B28  595161404701853 1    691852 1      C-13-H3C(O)CH3
  819466.8742  0.0392 -4.2813 3 1074.1994B28  595161404701853 2    691752 2      C-13-H3C(O)CH3
  819466.8742  0.0392 -5.2327 3 1074.1994B28  595161404701753 2    691752 2      C-13-H3C(O)CH3
  819466.8742  0.0392 -5.9114 3 1074.1994B28  595161404701853 2    691852 2      C-13-H3C(O)CH3
  819466.8742  0.0392 -4.2445 3 1074.1994B28  595161404701753 2    691852 2      C-13-H3C(O)CH3
  819504.9444  0.0404 -4.7231 3 1074.2026564  595161404701853 3    691852 3      C-13-H3C(O)CH3
  819504.9444  0.0404 -4.9928 3 1074.2026564  595161404701753 3    691852 3      C-13-H3C(O)CH3
  819504.9444  0.0404 -4.7231 3 1074.2026564  595161404701753 3    691752 3      C-13-H3C(O)CH3
  819504.9444  0.0404 -4.9928 3 1074.2026564  595161404701853 3    691752 3      C-13-H3C(O)CH3
  819505.0111  0.0404 -4.5420 3 1074.2026564  595161404701853 4    691852 4      C-13-H3C(O)CH3
  819505.0111  0.0404 -4.5420 3 1074.2026564  595161404701753 4    691752 4      C-13-H3C(O)CH3
  819549.9194  0.0066 -3.5510 3  564.6177728 -595161404453214 1    443114 1      C-13-H3C(O)CH3
  819549.9194  0.0057 -3.5511 3  564.6650728 -595161404453213 2    443113 2      C-13-H3C(O)CH3
  819553.7573  0.0080 -4.6210 3  250.4642276  595161404341024 4    33 925 4      C-13-H3C(O)CH3
  819553.7573  0.0080 -5.7745 3  250.4642276  595161404341024 4    33 825 4      C-13-H3C(O)CH3
  819553.7573  0.0080 -5.7745 3  250.4642276  595161404341124 4    33 925 4      C-13-H3C(O)CH3
  819553.7573  0.0080 -4.6210 3  250.4642276  595161404341124 4    33 825 4      C-13-H3C(O)CH3
  819554.2504  0.0070 -6.0900 3  250.4642276  595161404341124 3    33 925 3      C-13-H3C(O)CH3
  819554.2504  0.0070 -4.6055 3  250.4642276  595161404341124 3    33 825 3      C-13-H3C(O)CH3
  819554.2504  0.0070 -6.0896 3  250.4642276  595161404341024 3    33 825 3      C-13-H3C(O)CH3
  819554.2504  0.0070 -4.6055 3  250.4642276  595161404341024 3    33 925 3      C-13-H3C(O)CH3
  819564.1284  0.0056 -3.5512 3  564.6468728 -595161404453213 1    443113 1      C-13-H3C(O)CH3
  819600.0189  0.0064 -3.5506 3  564.6266728 -595161404453214 2    443114 2      C-13-H3C(O)CH3
  819663.5876  0.0078 -3.8549 3  564.6482364  595161404453213 3    443113 3      C-13-H3C(O)CH3
  819678.7426  0.0072 -3.8520 3  564.6773364  595161404453213 4    443113 4      C-13-H3C(O)CH3
  819713.7663  0.0084 -3.8514 3  564.6098364  595161404453214 4    443114 4      C-13-H3C(O)CH3
  819716.3335  0.3936 -5.7696 3 1306.4888B12  595161404694327 1    684424 1      C-13-H3C(O)CH3
  819729.2004  0.0077 -3.8546 3  564.6388364  595161404453214 3    443114 3      C-13-H3C(O)CH3
  819800.1724  0.0063 -4.3043 3  250.4731552  595161404341024 2    33 925 2      C-13-H3C(O)CH3
  819800.1724  0.0063 -4.3043 3  250.4731552  595161404341124 2    33 825 2      C-13-H3C(O)CH3
  819800.1724  0.0063 -5.7842 3  250.4731552  595161404341024 2    33 825 2      C-13-H3C(O)CH3
  819800.1724  0.0063 -5.7846 3  250.4731552  595161404341124 2    33 925 2      C-13-H3C(O)CH3
  819809.5895  0.0066 -4.4739 3  250.4741552  595161404341124 1    33 825 1      C-13-H3C(O)CH3
  819809.5895  0.0066 -4.4741 3  250.4741552  595161404341024 1    33 925 1      C-13-H3C(O)CH3
  819809.5895  0.0066 -4.7522 3  250.4741552  595161404341024 1    33 825 1      C-13-H3C(O)CH3
  819809.5895  0.0066 -4.7524 3  250.4741552  595161404341124 1    33 925 1      C-13-H3C(O)CH3
  819809.9594  0.4523 -5.7645 3 1306.4805B12  595161404694327 2    684424 2      C-13-H3C(O)CH3
  819939.6070  0.3434 -4.8344 3  944.9733952  595161404593524 1    583623 1      C-13-H3C(O)CH3
  819945.5718  0.0732 -6.0009 3  564.6388364  595161404453213 3    443114 3      C-13-H3C(O)CH3
  819985.1807  0.5048 -4.8344 3  944.9734952  595161404593524 2    583623 2      C-13-H3C(O)CH3
  820028.4975  0.0293 -4.3904 3 1138.8106C56 -59516140478 970 0    77 969 0      C-13-H3C(O)CH3
  820028.4975  0.0293 -4.7366 3 1138.8106C56 -59516140478 970 0    77 869 0      C-13-H3C(O)CH3
  820028.4975  0.0293 -4.7366 3 1138.8106C56 -59516140478 870 0    77 969 0      C-13-H3C(O)CH3
  820028.4975  0.0293 -4.3904 3 1138.8106C56 -59516140478 870 0    77 869 0      C-13-H3C(O)CH3
  820046.5884  0.0489 -4.5733 3 1138.7836C56  59516140478 870 2    77 869 2      C-13-H3C(O)CH3
  820046.5884  0.0489 -4.4903 3 1138.7836C56  59516140478 870 2    77 969 2      C-13-H3C(O)CH3
  820046.5884  0.0489 -4.4903 3 1138.7836C56  59516140478 970 2    77 869 2      C-13-H3C(O)CH3
  820046.5884  0.0489 -4.5733 3 1138.7836C56  59516140478 970 2    77 969 2      C-13-H3C(O)CH3
  820046.5908  0.0506 -4.2289 3 1138.7837C56  59516140478 970 1    77 969 1      C-13-H3C(O)CH3
  820046.5908  0.0506 -4.2289 3 1138.7837C56  59516140478 870 1    77 869 1      C-13-H3C(O)CH3
  820055.0681  0.0062 -4.2943 3  250.4830552  595161404341124 0    33 825 0      C-13-H3C(O)CH3
  820055.0681  0.0062 -4.2941 3  250.4830552  595161404341024 0    33 925 0      C-13-H3C(O)CH3
  820063.2416  0.0294 -4.9816 3 1138.7567628  59516140478 970 3    77 869 3      C-13-H3C(O)CH3
  820063.2416  0.0294 -4.7191 3 1138.7567628  59516140478 870 3    77 869 3      C-13-H3C(O)CH3
  820063.2416  0.0294 -4.7191 3 1138.7567628  59516140478 970 3    77 969 3      C-13-H3C(O)CH3
  820063.2416  0.0294 -4.9816 3 1138.7567628  59516140478 870 3    77 969 3      C-13-H3C(O)CH3
  820063.2447  0.0294 -4.5396 3 1138.7567628  59516140478 970 4    77 969 4      C-13-H3C(O)CH3
  820063.2447  0.0294 -4.5396 3 1138.7567628  59516140478 870 4    77 869 4      C-13-H3C(O)CH3
  820109.2184  0.3541 -5.7644 3 1306.4493B12  595161404694327 0    684424 0      C-13-H3C(O)CH3
  820242.1205  0.0168 -4.4933 3 1156.5412684 -59516140485 085 4    84 084 4      C-13-H3C(O)CH3
  820242.1205  0.0169 -4.9050 3 1156.5412684 -59516140485 085 3    84 084 3      C-13-H3C(O)CH3
  820242.1205  0.0168 -4.4765 3 1156.5412684 -59516140485 185 4    84 184 4      C-13-H3C(O)CH3
  820242.1205  0.0169 -4.6695 3 1156.5412684 -59516140485 185 3    84 084 3      C-13-H3C(O)CH3
  820242.2348  0.0168 -5.7617 3 1156.5412684  59516140485 185 4    84 084 4      C-13-H3C(O)CH3
  820242.2558  0.0169 -4.9050 3 1156.5412684  59516140485 185 3    84 184 3      C-13-H3C(O)CH3
  820242.2558  0.0169 -4.6695 3 1156.5412684  59516140485 085 3    84 184 3      C-13-H3C(O)CH3
  820244.7462  0.0221 -4.2046 3 1156.4791D68 -59516140485 185 1    84 184 1      C-13-H3C(O)CH3
  820244.7462  0.0288 -4.5641 3 1156.4790D68 -59516140485 185 2    84 084 2      C-13-H3C(O)CH3
  820244.7462  0.0221 -4.2046 3 1156.4791D68 -59516140485 085 1    84 084 1      C-13-H3C(O)CH3
  820244.7462  0.0288 -4.3933 3 1156.4790D68 -59516140485 185 2    84 184 2      C-13-H3C(O)CH3
  820244.7462  0.0288 -4.5641 3 1156.4790D68 -59516140485 085 2    84 184 2      C-13-H3C(O)CH3
  820244.7462  0.0221 -5.2766 3 1156.4791D68 -59516140485 085 1    84 184 1      C-13-H3C(O)CH3
  820244.7462  0.0288 -4.3933 3 1156.4790D68 -59516140485 085 2    84 084 2      C-13-H3C(O)CH3
  820244.7462  0.0221 -5.2766 3 1156.4791D68 -59516140485 185 1    84 084 1      C-13-H3C(O)CH3
  820247.3626  0.0183 -4.1762 3 1156.4170D68  59516140485 085 0    84 184 0      C-13-H3C(O)CH3
  820247.3626  0.0183 -5.9627 3 1156.4170D68  59516140485 185 0    84 184 0      C-13-H3C(O)CH3
  820247.4178  0.0183 -5.9627 3 1156.4170D68 -59516140485 085 0    84 084 0      C-13-H3C(O)CH3
  820247.4178  0.0183 -4.1762 3 1156.4170D68 -59516140485 185 0    84 084 0      C-13-H3C(O)CH3
  820310.7041  0.0420 -4.2052 3  545.6286364  595161404452817 3    442718 3      C-13-H3C(O)CH3
  820389.2192  0.0367 -4.2072 3  545.6277364  595161404452817 4    442718 4      C-13-H3C(O)CH3
  820407.9417  0.0375 -3.9062 3  545.6417728  595161404452817 2    442718 2      C-13-H3C(O)CH3
  820429.2569  0.0091 -3.2214 3  546.5173664  5951614044141 0 0    4040 0 0      C-13-H3C(O)CH3
  820429.2569  0.0091 -3.2214 3  546.5173664  5951614044141 1 0    4040 1 0      C-13-H3C(O)CH3
  820489.0574  0.0366 -5.0939 3 1086.5768B44  595161404711655 0    701754 0      C-13-H3C(O)CH3
  820489.0574  0.0366 -4.3067 3 1086.5768B44  595161404711655 0    701654 0      C-13-H3C(O)CH3
  820489.0574  0.0366 -4.6964 3 1086.5768B44  595161404711755 0    701754 0      C-13-H3C(O)CH3
  820489.0574  0.0366 -4.4285 3 1086.5768B44  595161404711755 0    701654 0      C-13-H3C(O)CH3
  820527.0357  0.0377 -5.4879 3 1086.5781B44  595161404711655 1    701754 1      C-13-H3C(O)CH3
  820527.0357  0.0377 -4.2664 3 1086.5781B44  595161404711755 1    701754 1      C-13-H3C(O)CH3
  820527.0357  0.0377 -5.4879 3 1086.5781B44  595161404711755 1    701654 1      C-13-H3C(O)CH3
  820527.0357  0.0377 -4.2664 3 1086.5781B44  595161404711655 1    701654 1      C-13-H3C(O)CH3
  820527.5203  0.0380 -4.2415 3 1086.5782B44  595161404711755 2    701654 2      C-13-H3C(O)CH3
  820527.5203  0.0380 -4.2415 3 1086.5782B44  595161404711655 2    701754 2      C-13-H3C(O)CH3
  820555.7401  0.0204 -3.9073 3  545.6444728  595161404452817 1    442718 1      C-13-H3C(O)CH3
  820565.5363  0.0398 -4.8375 3 1086.5795572  595161404711655 3    701654 3      C-13-H3C(O)CH3
  820565.5363  0.0398 -4.8375 3 1086.5795572  595161404711755 3    701754 3      C-13-H3C(O)CH3
  820565.5363  0.0398 -4.8488 3 1086.5795572  595161404711755 3    701654 3      C-13-H3C(O)CH3
  820565.5363  0.0398 -4.8488 3 1086.5795572  595161404711655 3    701754 3      C-13-H3C(O)CH3
  820565.6010  0.0398 -4.5435 3 1086.5794572  595161404711755 4    701754 4      C-13-H3C(O)CH3
  820565.6010  0.0398 -4.5435 3 1086.5794572  595161404711655 4    701654 4      C-13-H3C(O)CH3
  820607.0032  0.0102 -3.2211 3  546.4614664 -5951614044141 1 2    4040 1 2      C-13-H3C(O)CH3
  820618.1261  0.0206 -3.9084 3  545.6580728 -595161404452817 0    442718 0      C-13-H3C(O)CH3
  820636.5406  0.0099 -3.2212 3  546.5633664 -5951614044141 0 1    4040 0 1      C-13-H3C(O)CH3
  820637.3928  0.0763 -4.1481 3  702.0535824  595161404513121 0    503020 0      C-13-H3C(O)CH3
  820658.2772  0.0116 -3.2211 3  546.5314664 -5951614044141 0 2    4040 0 2      C-13-H3C(O)CH3
  820694.6113  0.0099 -3.2210 3  546.4857664 -5951614044141 1 1    4040 1 1      C-13-H3C(O)CH3
  820782.8431  0.0296 -4.2199 3  927.6899968  595161404602832 0    592931 0      C-13-H3C(O)CH3
  820782.9328  0.0296 -4.2199 3  927.6899968  595161404602932 0    592831 0      C-13-H3C(O)CH3
  820813.9816  0.0150 -3.5220 3  546.5072332  5951614044141 0 3    4040 0 3      C-13-H3C(O)CH3
  820823.4068  0.0321 -4.2180 3  946.4883984  595161404612734 0    602833 0      C-13-H3C(O)CH3
  820823.4084  0.0321 -4.2180 3  946.4883984  595161404612834 0    602733 0      C-13-H3C(O)CH3
  820826.5519  0.0303 -4.2200 3  927.6983968  595161404602832 1    592931 1      C-13-H3C(O)CH3
  820826.6573  0.0303 -4.2200 3  927.6983968  595161404602932 1    592831 1      C-13-H3C(O)CH3
  820830.7827  0.0325 -4.2200 3  927.6991968  595161404602832 2    592931 2      C-13-H3C(O)CH3
  820830.8826  0.0325 -4.2200 3  927.6991968  595161404602932 2    592831 2      C-13-H3C(O)CH3
  820864.0361  0.0328 -4.2181 3  946.4976984  595161404612734 1    602833 1      C-13-H3C(O)CH3
  820864.0382  0.0328 -4.2181 3  946.4976984  595161404612834 1    602733 1      C-13-H3C(O)CH3
  820866.1532  0.0166 -3.5220 3  546.5774332  5951614044141 0 4    4040 0 4      C-13-H3C(O)CH3
  820867.2830  0.0347 -4.2181 3  946.4984984  595161404612734 2    602833 2      C-13-H3C(O)CH3
  820867.2848  0.0347 -4.2181 3  946.4984984  595161404612834 2    602733 2      C-13-H3C(O)CH3
  820871.5571  0.0152 -3.5218 3  546.4299332  5951614044141 1 4    4040 1 4      C-13-H3C(O)CH3
  820874.5544  0.0332 -4.5211 3  927.7076484  595161404602832 3    592931 3      C-13-H3C(O)CH3
  820874.6426  0.0332 -4.5211 3  927.7076484  595161404602832 4    592931 4      C-13-H3C(O)CH3
  820874.6716  0.0331 -4.5211 3  927.7075484  595161404602932 3    592831 3      C-13-H3C(O)CH3
  820874.7589  0.0332 -4.5211 3  927.7076484  595161404602932 4    592831 4      C-13-H3C(O)CH3
  820907.9673  0.0350 -4.5191 3  946.5078492  595161404612734 3    602833 3      C-13-H3C(O)CH3
  820907.9696  0.0350 -4.5191 3  946.5078492  595161404612834 3    602733 3      C-13-H3C(O)CH3
  820908.0482  0.0351 -4.5191 3  946.5078492  595161404612734 4    602833 4      C-13-H3C(O)CH3
  820908.0505  0.0351 -4.5191 3  946.5078492  595161404612834 4    602733 4      C-13-H3C(O)CH3
  820923.5174  0.0161 -3.5218 3  546.4998332  5951614044141 1 3    4040 1 3      C-13-H3C(O)CH3
  821005.9945  0.2429 -4.8277 3  877.6505460  595161404573324 3    563423 3      C-13-H3C(O)CH3
  821024.4950  0.3738 -4.8305 3  944.9569952  595161404593524 0    583623 0      C-13-H3C(O)CH3
  821037.9325  0.2345 -4.8279 3  877.6497460  595161404573324 4    563423 4      C-13-H3C(O)CH3
  821160.7811  0.0345 -4.2193 3  964.6363A00  595161404622636 0    612735 0      C-13-H3C(O)CH3
  821160.7812  0.0345 -4.2193 3  964.6363A00  595161404622736 0    612635 0      C-13-H3C(O)CH3
  821199.3995  0.0352 -4.2194 3  964.6462A00  595161404622636 1    612735 1      C-13-H3C(O)CH3
  821199.3996  0.0352 -4.2194 3  964.6462A00  595161404622736 1    612635 1      C-13-H3C(O)CH3
  821202.0358  0.0369 -4.2194 3  964.6471A00  595161404622736 2    612635 2      C-13-H3C(O)CH3
  821202.0358  0.0369 -4.2194 3  964.6471A00  595161404622636 2    612735 2      C-13-H3C(O)CH3
  821212.3302  0.0271 -4.2269 3  908.1992952  595161404592930 0    583029 0      C-13-H3C(O)CH3
  821216.2454  0.0270 -4.2269 3  908.1991952  595161404593030 0    582929 0      C-13-H3C(O)CH3
  821218.6265  0.0294 -4.2425 3 1146.3078C72  59516140479 872 0    78 871 0      C-13-H3C(O)CH3
  821218.6265  0.0294 -5.7531 3 1146.3078C72  59516140479 872 0    78 771 0      C-13-H3C(O)CH3
  821218.6265  0.0294 -4.2425 3 1146.3078C72  59516140479 772 0    78 771 0      C-13-H3C(O)CH3
  821218.6265  0.0294 -5.7531 3 1146.3078C72  59516140479 772 0    78 871 0      C-13-H3C(O)CH3
  821228.3697  0.0505 -4.3815 3 1146.2776C72  59516140479 872 1    78 771 1      C-13-H3C(O)CH3
  821228.3697  0.0505 -4.3815 3 1146.2776C72  59516140479 772 1    78 871 1      C-13-H3C(O)CH3
  821228.3697  0.0505 -4.7585 3 1146.2776C72  59516140479 772 1    78 771 1      C-13-H3C(O)CH3
  821228.3697  0.0505 -4.7585 3 1146.2776C72  59516140479 872 1    78 871 1      C-13-H3C(O)CH3
  821228.4477  0.0491 -4.4193 3 1146.2775C72  59516140479 872 2    78 771 2      C-13-H3C(O)CH3
  821228.4477  0.0491 -4.6798 3 1146.2775C72  59516140479 772 2    78 771 2      C-13-H3C(O)CH3
  821228.4477  0.0491 -4.4193 3 1146.2775C72  59516140479 772 2    78 871 2      C-13-H3C(O)CH3
  821228.4477  0.0491 -4.6798 3 1146.2775C72  59516140479 872 2    78 871 2      C-13-H3C(O)CH3
  821238.1909  0.0277 -4.9125 3 1146.2472636  59516140479 872 4    78 771 4      C-13-H3C(O)CH3
  821238.1909  0.0277 -4.7628 3 1146.2472636  59516140479 872 4    78 871 4      C-13-H3C(O)CH3
  821238.1909  0.0277 -4.9125 3 1146.2472636  59516140479 772 4    78 871 4      C-13-H3C(O)CH3
  821238.1909  0.0277 -4.7628 3 1146.2472636  59516140479 772 4    78 771 4      C-13-H3C(O)CH3
  821238.2031  0.0277 -4.5309 3 1146.2472636  59516140479 872 3    78 871 3      C-13-H3C(O)CH3
  821238.2031  0.0277 -4.5309 3 1146.2472636  59516140479 772 3    78 771 3      C-13-H3C(O)CH3
  821240.7043  0.0368 -4.5204 3  964.6570500  595161404622736 3    612635 3      C-13-H3C(O)CH3
  821240.7043  0.0368 -4.5204 3  964.6570500  595161404622636 3    612735 3      C-13-H3C(O)CH3
  821240.7810  0.0369 -4.5204 3  964.6571500  595161404622636 4    612735 4      C-13-H3C(O)CH3
  821240.7810  0.0369 -4.5204 3  964.6571500  595161404622736 4    612635 4      C-13-H3C(O)CH3
  821250.7650  0.0642 -4.1469 3  702.0315824  595161404513121 1    503020 1      C-13-H3C(O)CH3
  821260.8007  0.0279 -4.2270 3  908.2061952  595161404592930 1    583029 1      C-13-H3C(O)CH3
  821265.1575  0.0278 -4.2270 3  908.2060952  595161404593030 1    582929 1      C-13-H3C(O)CH3
  821266.3791  0.0114 -5.0875 3  215.8956268  59516140433 826 4    32 627 4      C-13-H3C(O)CH3
  821266.3791  0.0114 -5.1921 3  215.8956268  59516140433 826 4    32 527 4      C-13-H3C(O)CH3
  821266.3791  0.0114 -5.0875 3  215.8956268  59516140433 726 4    32 527 4      C-13-H3C(O)CH3
  821266.3791  0.0114 -5.1921 3  215.8956268  59516140433 726 4    32 627 4      C-13-H3C(O)CH3
  821266.7584  0.0302 -4.2270 3  908.2068952  595161404592930 2    583029 2      C-13-H3C(O)CH3
  821266.7620  0.0099 -4.8505 3  215.8956268  59516140433 826 3    32 527 3      C-13-H3C(O)CH3
  821266.7620  0.0099 -4.8505 3  215.8956268  59516140433 726 3    32 627 3      C-13-H3C(O)CH3
  821271.0124  0.0301 -4.2270 3  908.2067952  595161404593030 2    582929 2      C-13-H3C(O)CH3
  821315.2916  0.0312 -4.5281 3  908.2138476  595161404592930 3    583029 3      C-13-H3C(O)CH3
  821315.4011  0.0312 -4.5281 3  908.2138476  595161404592930 4    583029 4      C-13-H3C(O)CH3
  821320.0244  0.0310 -4.5281 3  908.2137476  595161404593030 3    582929 3      C-13-H3C(O)CH3
  821320.1152  0.0311 -4.5281 3  908.2137476  595161404593030 4    582929 4      C-13-H3C(O)CH3
  821352.7878  0.0083 -3.7387 3  576.5446744  595161404463016 0    452917 0      C-13-H3C(O)CH3
  821459.5776  0.0101 -5.8943 3  212.6095236  595161404291812 4    281315 4      C-13-H3C(O)CH3
  821467.9542  0.0091 -5.8943 3  212.6095236  595161404291812 3    281315 3      C-13-H3C(O)CH3
  821499.8922  0.1092 -4.1464 3  702.0218824  595161404513121 2    503020 2      C-13-H3C(O)CH3
  821569.0993  0.0347 -4.6949 3 1098.4127B60  595161404721657 0    711556 0      C-13-H3C(O)CH3
  821569.0993  0.0347 -4.4377 3 1098.4127B60  595161404721657 0    711656 0      C-13-H3C(O)CH3
  821569.0993  0.0347 -4.6466 3 1098.4127B60  595161404721557 0    711656 0      C-13-H3C(O)CH3
  821569.0993  0.0347 -4.4669 3 1098.4127B60  595161404721557 0    711556 0      C-13-H3C(O)CH3
  821579.6184  0.0093 -5.5937 3  212.6199472  595161404291812 2    281315 2      C-13-H3C(O)CH3
  821581.3790  0.0093 -5.5930 3  212.6236472  595161404291812 1    281315 1      C-13-H3C(O)CH3
  821587.8749  0.0154 -3.7643 3  576.5376744  595161404463016 1    452917 1      C-13-H3C(O)CH3
  821606.7704  0.0368 -4.3870 3 1098.4117B60  595161404721557 1    711556 1      C-13-H3C(O)CH3
  821606.7704  0.0368 -4.8048 3 1098.4117B60  595161404721557 1    711656 1      C-13-H3C(O)CH3
  821606.7704  0.0368 -4.3870 3 1098.4117B60  595161404721657 1    711656 1      C-13-H3C(O)CH3
  821606.7704  0.0368 -4.8048 3 1098.4117B60  595161404721657 1    711556 1      C-13-H3C(O)CH3
  821607.0879  0.0368 -4.2542 3 1098.4117B60  595161404721557 2    711556 2      C-13-H3C(O)CH3
  821607.0879  0.0368 -6.0010 3 1098.4117B60  595161404721557 2    711656 2      C-13-H3C(O)CH3
  821607.0879  0.0368 -6.0010 3 1098.4117B60  595161404721657 2    711556 2      C-13-H3C(O)CH3
  821607.0879  0.0368 -4.2542 3 1098.4117B60  595161404721657 2    711656 2      C-13-H3C(O)CH3
  821616.3536  0.0123 -4.0443 3  576.5365372  595161404463016 3    452917 3      C-13-H3C(O)CH3
  821638.1854  0.2678 -4.5237 3  877.6427920  595161404573324 2    563423 2      C-13-H3C(O)CH3
  821640.2884  0.1812 -4.5236 3  877.6430920  595161404573324 1    563423 1      C-13-H3C(O)CH3
  821644.7951  0.0389 -4.8645 3 1098.4107580  595161404721657 3    711656 3      C-13-H3C(O)CH3
  821644.7951  0.0389 -4.8331 3 1098.4107580  595161404721657 3    711556 3      C-13-H3C(O)CH3
  821644.7951  0.0389 -4.8331 3 1098.4107580  595161404721557 3    711656 3      C-13-H3C(O)CH3
  821644.7951  0.0389 -4.8645 3 1098.4107580  595161404721557 3    711556 3      C-13-H3C(O)CH3
  821644.8572  0.0389 -5.4584 3 1098.4106580  595161404721657 4    711656 4      C-13-H3C(O)CH3
  821644.8572  0.0389 -4.6044 3 1098.4106580  595161404721657 4    711556 4      C-13-H3C(O)CH3
  821644.8572  0.0389 -4.5570 3 1098.4106580  595161404721557 4    711656 4      C-13-H3C(O)CH3
  821690.6050  0.0083 -4.5599 3  215.8858536  59516140433 826 2    32 527 2      C-13-H3C(O)CH3
  821690.6050  0.0083 -4.5599 3  215.8858536  59516140433 726 2    32 627 2      C-13-H3C(O)CH3
  821690.6050  0.0083 -5.7699 3  215.8858536  59516140433 726 2    32 527 2      C-13-H3C(O)CH3
  821690.6050  0.0083 -5.7699 3  215.8858536  59516140433 826 2    32 627 2      C-13-H3C(O)CH3
  821694.9091  0.0096 -5.5931 3  212.6339472  595161404291812 0    281315 0      C-13-H3C(O)CH3
  821696.7716  0.0368 -4.2228 3  982.1619A16  595161404632538 0    622637 0      C-13-H3C(O)CH3
  821696.7716  0.0368 -4.2228 3  982.1619A16  595161404632638 0    622537 0      C-13-H3C(O)CH3
  821696.9152  0.0090 -4.6984 3  215.8864536  59516140433 726 1    32 527 1      C-13-H3C(O)CH3
  821696.9152  0.0090 -5.0356 3  215.8864536  59516140433 826 1    32 527 1      C-13-H3C(O)CH3
  821696.9152  0.0090 -4.6984 3  215.8864536  59516140433 826 1    32 627 1      C-13-H3C(O)CH3
  821696.9152  0.0090 -5.0356 3  215.8864536  59516140433 726 1    32 627 1      C-13-H3C(O)CH3
  821734.0837  0.0374 -4.2232 3  982.1723A16  595161404632638 1    622537 1      C-13-H3C(O)CH3
  821734.0837  0.0374 -4.2236 3  982.1723A16  595161404632538 1    622637 1      C-13-H3C(O)CH3
  821736.3177  0.0389 -4.2237 3  982.1730A16  595161404632638 2    622537 2      C-13-H3C(O)CH3
  821736.3177  0.0389 -4.2228 3  982.1730A16  595161404632538 2    622637 2      C-13-H3C(O)CH3
  821763.9766  0.0251 -3.7934 3  576.5392744  595161404463016 2    452917 2      C-13-H3C(O)CH3
  821773.6768  0.0385 -4.5240 3  982.1834508  595161404632638 3    622537 3      C-13-H3C(O)CH3
  821773.6768  0.0385 -4.5242 3  982.1834508  595161404632538 3    622637 3      C-13-H3C(O)CH3
  821773.7506  0.0385 -4.5241 3  982.1834508  595161404632538 4    622637 4      C-13-H3C(O)CH3
  821773.7506  0.0385 -4.5242 3  982.1834508  595161404632638 4    622537 4      C-13-H3C(O)CH3
  821910.9791  0.0776 -4.2624 3  812.1906888  595161404553224 0    543123 0      C-13-H3C(O)CH3
  822086.1421  0.0957 -4.4466 3  702.0003412  595161404513121 4    503020 4      C-13-H3C(O)CH3
  822119.9182  0.0081 -5.0095 3  215.8766536  59516140433 826 0    32 527 0      C-13-H3C(O)CH3
  822119.9182  0.0081 -4.7100 3  215.8766536  59516140433 826 0    32 627 0      C-13-H3C(O)CH3
  822119.9182  0.0081 -4.7100 3  215.8766536  59516140433 726 0    32 527 0      C-13-H3C(O)CH3
  822119.9182  0.0081 -5.0095 3  215.8766536  59516140433 726 0    32 627 0      C-13-H3C(O)CH3
  822135.5935  0.1024 -4.4460 3  701.9996412  595161404513121 3    503020 3      C-13-H3C(O)CH3
  822143.6031  0.0170 -5.4204 3  180.6897260  59516140432 528 3    31 329 3      C-13-H3C(O)CH3
  822143.6031  0.0170 -5.8863 3  180.6897260  59516140432 528 3    31 229 3      C-13-H3C(O)CH3
  822143.6031  0.0170 -5.4204 3  180.6897260  59516140432 428 3    31 229 3      C-13-H3C(O)CH3
  822143.6031  0.0170 -5.8863 3  180.6897260  59516140432 428 3    31 329 3      C-13-H3C(O)CH3
  822143.7728  0.0188 -5.4623 3  180.6898260  59516140432 528 4    31 229 4      C-13-H3C(O)CH3
  822143.7728  0.0188 -5.7830 3  180.6898260  59516140432 528 4    31 329 4      C-13-H3C(O)CH3
  822143.7728  0.0188 -5.4623 3  180.6898260  59516140432 428 4    31 329 4      C-13-H3C(O)CH3
  822143.7728  0.0188 -5.7830 3  180.6898260  59516140432 428 4    31 229 4      C-13-H3C(O)CH3
  822187.8080  0.0496 -4.2657 3  839.4097904  595161404563225 0    553124 0      C-13-H3C(O)CH3
  822248.1109  0.1995 -4.5206 3  877.6357920  595161404573324 0    563423 0      C-13-H3C(O)CH3
  822322.3117  0.0649 -4.2627 3  812.1780888  595161404553224 1    543123 1      C-13-H3C(O)CH3
  822334.4643  0.0472 -4.1767 3  576.5281372  595161404463016 4    452917 4      C-13-H3C(O)CH3
  822367.5321  0.0054 -3.2738 3  549.9027680  5951614044239 4 0    4138 3 0      C-13-H3C(O)CH3
  822367.5321  0.0054 -3.2738 3  549.9027680  5951614044239 3 0    4138 4 0      C-13-H3C(O)CH3
  822371.7256  0.0389 -4.4319 3  999.0848A32  595161404642540 0    632439 0      C-13-H3C(O)CH3
  822371.7256  0.0389 -4.6534 3  999.0848A32  595161404642540 0    632539 0      C-13-H3C(O)CH3
  822371.7256  0.0389 -4.6534 3  999.0848A32  595161404642440 0    632439 0      C-13-H3C(O)CH3
  822371.7256  0.0389 -4.4319 3  999.0848A32  595161404642440 0    632539 0      C-13-H3C(O)CH3
  822390.9876  0.0944 -4.2628 3  812.1750888  595161404553224 2    543123 2      C-13-H3C(O)CH3
  822407.5213  0.0249 -4.2426 3  887.9481936  595161404583028 0    573127 0      C-13-H3C(O)CH3
  822408.2362  0.0395 -4.5815 3  999.0952A32  595161404642540 1    632539 1      C-13-H3C(O)CH3
  822408.2362  0.0395 -4.5815 3  999.0952A32  595161404642440 1    632439 1      C-13-H3C(O)CH3
  822408.2362  0.0395 -4.4817 3  999.0952A32  595161404642440 1    632539 1      C-13-H3C(O)CH3
  822408.2362  0.0395 -4.4817 3  999.0952A32  595161404642540 1    632439 1      C-13-H3C(O)CH3
  822410.1871  0.0407 -4.3975 3  999.0959A32  595161404642540 2    632539 2      C-13-H3C(O)CH3
  822410.1871  0.0407 -4.7176 3  999.0959A32  595161404642440 2    632539 2      C-13-H3C(O)CH3
  822410.1871  0.0407 -4.3975 3  999.0959A32  595161404642440 2    632439 2      C-13-H3C(O)CH3
  822410.1871  0.0407 -4.7176 3  999.0959A32  595161404642540 2    632439 2      C-13-H3C(O)CH3
  822419.3795  0.0280 -4.2752 3 1153.2711C88  59516140480 774 0    79 673 0      C-13-H3C(O)CH3
  822419.3795  0.0280 -4.4835 3 1153.2711C88  59516140480 674 0    79 673 0      C-13-H3C(O)CH3
  822419.3795  0.0280 -5.2257 3 1153.2711C88  59516140480 774 0    79 773 0      C-13-H3C(O)CH3
  822419.3795  0.0280 -4.5824 3 1153.2711C88  59516140480 674 0    79 773 0      C-13-H3C(O)CH3
  822421.3071  0.0471 -5.4587 3 1153.2387C88  59516140480 774 1    79 673 1      C-13-H3C(O)CH3
  822421.3071  0.0471 -5.4587 3 1153.2387C88  59516140480 674 1    79 773 1      C-13-H3C(O)CH3
  822421.3071  0.0471 -4.2554 3 1153.2387C88  59516140480 774 1    79 773 1      C-13-H3C(O)CH3
  822421.3071  0.0471 -4.2554 3 1153.2387C88  59516140480 674 1    79 673 1      C-13-H3C(O)CH3
  822421.4565  0.0461 -4.7946 3 1153.2385C88  59516140480 774 2    79 773 2      C-13-H3C(O)CH3
  822421.4565  0.0461 -4.3668 3 1153.2385C88  59516140480 774 2    79 673 2      C-13-H3C(O)CH3
  822421.4565  0.0461 -4.3668 3 1153.2385C88  59516140480 674 2    79 773 2      C-13-H3C(O)CH3
  822421.4565  0.0461 -4.7946 3 1153.2385C88  59516140480 674 2    79 673 2      C-13-H3C(O)CH3
  822423.3671  0.0253 -5.1014 3 1153.2061644  59516140480 674 4    79 673 4      C-13-H3C(O)CH3
  822423.3671  0.0253 -4.6656 3 1153.2061644  59516140480 774 4    79 673 4      C-13-H3C(O)CH3
  822423.3671  0.0253 -5.1014 3 1153.2061644  59516140480 774 4    79 773 4      C-13-H3C(O)CH3
  822423.3671  0.0253 -4.6656 3 1153.2061644  59516140480 674 4    79 773 4      C-13-H3C(O)CH3
  822423.3945  0.0253 -4.7522 3 1153.2061644  59516140480 774 3    79 673 3      C-13-H3C(O)CH3
  822423.3945  0.0253 -4.9274 3 1153.2061644  59516140480 674 3    79 673 3      C-13-H3C(O)CH3
  822423.3945  0.0253 -4.9274 3 1153.2061644  59516140480 774 3    79 773 3      C-13-H3C(O)CH3
  822423.3945  0.0253 -4.7522 3 1153.2061644  59516140480 674 3    79 773 3      C-13-H3C(O)CH3
  822433.9755  0.0418 -4.2660 3  839.4038904  595161404563225 1    553124 1      C-13-H3C(O)CH3
  822446.7425  0.0400 -4.5379 3  999.1064516  595161404642440 3    632539 3      C-13-H3C(O)CH3
  822446.7425  0.0400 -4.5379 3  999.1064516  595161404642540 3    632439 3      C-13-H3C(O)CH3
  822446.8143  0.0400 -4.6208 3  999.1064516  595161404642440 4    632439 4      C-13-H3C(O)CH3
  822446.8143  0.0400 -4.6208 3  999.1064516  595161404642540 4    632539 4      C-13-H3C(O)CH3
  822446.8143  0.0400 -5.2476 3  999.1064516  595161404642540 4    632439 4      C-13-H3C(O)CH3
  822446.8143  0.0400 -5.2476 3  999.1064516  595161404642440 4    632539 4      C-13-H3C(O)CH3
  822453.5893  0.0067 -4.3757 3  311.5852292  595161404361521 4    351422 4      C-13-H3C(O)CH3
  822453.6589  0.0067 -4.3757 3  311.5852292  595161404361621 4    351322 4      C-13-H3C(O)CH3
  822453.8934  0.0065 -4.3757 3  311.5852292  595161404361521 3    351422 3      C-13-H3C(O)CH3
  822453.9634  0.0065 -4.3757 3  311.5852292  595161404361621 3    351322 3      C-13-H3C(O)CH3
  822460.6694  0.0258 -4.2428 3  887.9529936  595161404583028 1    573127 1      C-13-H3C(O)CH3
  822464.9119  0.0532 -4.2660 3  839.4026904  595161404563225 2    553124 2      C-13-H3C(O)CH3
  822470.2762  0.0285 -4.2428 3  887.9533936  595161404583028 2    573127 2      C-13-H3C(O)CH3
  822478.1110  0.0055 -3.2736 3  549.8635680 -5951614044239 4 2    4138 4 2      C-13-H3C(O)CH3
  822509.1238  0.0061 -4.0748 3  311.6086584  595161404361521 2    351422 2      C-13-H3C(O)CH3
  822509.1923  0.0061 -4.0748 3  311.6086584  595161404361621 2    351322 2      C-13-H3C(O)CH3
  822518.7803  0.0059 -3.2736 3  549.9036680 -5951614044239 3 2    4138 3 2      C-13-H3C(O)CH3
  822523.2573  0.0297 -4.5440 3  887.9582468  595161404583028 3    573127 3      C-13-H3C(O)CH3
  822523.5469  0.0297 -4.5440 3  887.9582468  595161404583028 4    573127 4      C-13-H3C(O)CH3
  822525.3742  0.0061 -4.0748 3  311.6106584  595161404361521 1    351422 1      C-13-H3C(O)CH3
  822525.4392  0.0061 -4.0748 3  311.6106584  595161404361621 1    351322 1      C-13-H3C(O)CH3
  822534.8741  0.0245 -4.2425 3  887.9448936  595161404583128 0    573027 0      C-13-H3C(O)CH3
  822548.7457  0.0167 -4.7740 3  311.9972552  595161404342411 1    332112 1      C-13-H3C(O)CH3
  822556.8350  0.0057 -3.2736 3  549.9257680 -5951614044239 3 1    4138 3 1      C-13-H3C(O)CH3
  822562.4029  0.0056 -3.2735 3  549.8658680 -5951614044239 4 1    4138 4 1      C-13-H3C(O)CH3
  822580.5485  0.0055 -4.0748 3  311.6339584  595161404361521 0    351422 0      C-13-H3C(O)CH3
  822580.6121  0.0055 -4.0748 3  311.6339584  595161404361621 0    351322 0      C-13-H3C(O)CH3
  822587.1801  0.0266 -5.2142 3  311.9733276  595161404342411 3    332112 3      C-13-H3C(O)CH3
  822597.2973  0.0252 -4.2426 3  887.9494936  595161404583128 1    573027 1      C-13-H3C(O)CH3
  822605.7853  0.0268 -4.2426 3  887.9499936  595161404583128 2    573027 2      C-13-H3C(O)CH3
  822666.2082  0.0327 -4.2516 3 1109.7060B76  595161404731459 0    721458 0      C-13-H3C(O)CH3
  822666.2082  0.0327 -4.2516 3 1109.7060B76  595161404731559 0    721558 0      C-13-H3C(O)CH3
  822666.7893  0.0078 -3.5745 3  549.8865340  5951614044239 3 3    4138 3 3      C-13-H3C(O)CH3
  822668.6005  0.0277 -4.5438 3  887.9545468  595161404583128 4    573027 4      C-13-H3C(O)CH3
  822668.6325  0.0277 -4.5438 3  887.9545468  595161404583128 3    573027 3      C-13-H3C(O)CH3
  822672.6464  0.0084 -3.5744 3  549.8267340  5951614044239 4 4    4138 4 4      C-13-H3C(O)CH3
  822703.2035  0.0366 -4.2546 3 1109.7023B76  595161404731559 1    721558 1      C-13-H3C(O)CH3
  822703.2035  0.0366 -4.2546 3 1109.7023B76  595161404731459 1    721458 1      C-13-H3C(O)CH3
  822703.3693  0.0362 -5.3272 3 1109.7022B76  595161404731559 2    721458 2      C-13-H3C(O)CH3
  822703.3693  0.0362 -4.2896 3 1109.7022B76  595161404731559 2    721558 2      C-13-H3C(O)CH3
  822703.3693  0.0362 -4.2896 3 1109.7022B76  595161404731459 2    721458 2      C-13-H3C(O)CH3
  822703.3693  0.0362 -5.3272 3 1109.7022B76  595161404731459 2    721558 2      C-13-H3C(O)CH3
  822706.9954  0.0220 -5.1245 3  311.9726276  595161404342411 4    332112 4      C-13-H3C(O)CH3
  822707.6911  0.0083 -3.5745 3  549.9265340  5951614044239 3 4    4138 3 4      C-13-H3C(O)CH3
  822712.9221  0.0081 -3.5744 3  549.8667340  5951614044239 4 3    4138 4 3      C-13-H3C(O)CH3
  822713.3070  0.0404 -4.5674 3  839.3967452  595161404563225 4    553124 4      C-13-H3C(O)CH3
  822717.6201  0.0412 -4.5674 3  839.3966452  595161404563225 3    553124 3      C-13-H3C(O)CH3
  822740.3986  0.0379 -4.6757 3 1109.6985588  595161404731459 3    721458 3      C-13-H3C(O)CH3
  822740.3986  0.0379 -5.1597 3 1109.6985588  595161404731559 3    721458 3      C-13-H3C(O)CH3
  822740.3986  0.0379 -5.1597 3 1109.6985588  595161404731459 3    721558 3      C-13-H3C(O)CH3
  822740.3986  0.0379 -4.6757 3 1109.6985588  595161404731559 3    721558 3      C-13-H3C(O)CH3
  822740.4572  0.0379 -5.5199 3 1109.6985588  595161404731559 4    721458 4      C-13-H3C(O)CH3
  822740.4572  0.0379 -4.6020 3 1109.6985588  595161404731559 4    721558 4      C-13-H3C(O)CH3
  822740.4572  0.0379 -4.6020 3 1109.6985588  595161404731459 4    721458 4      C-13-H3C(O)CH3
  822740.4572  0.0379 -5.5199 3 1109.6985588  595161404731459 4    721558 4      C-13-H3C(O)CH3
  822747.8005  0.0152 -5.7776 3  311.9972552  595161404342410 1    332112 1      C-13-H3C(O)CH3
  822779.6099  0.0115 -5.7148 3  233.5573244  595161404302011 4    291514 4      C-13-H3C(O)CH3
  822779.8160  0.0281 -5.6709 3  279.6599260  5951614043224 9 4    312110 4      C-13-H3C(O)CH3
  822803.3600  0.0771 -4.5641 3  812.1623444  595161404553224 4    543123 4      C-13-H3C(O)CH3
  822812.8999  0.0785 -4.5640 3  812.1621444  595161404553224 3    543123 3      C-13-H3C(O)CH3
  822813.4469  0.0190 -5.0019 3  180.6494520  59516140432 428 2    31 229 2      C-13-H3C(O)CH3
  822813.4469  0.0190 -5.0019 3  180.6494520  59516140432 528 2    31 329 2      C-13-H3C(O)CH3
  822814.5621  0.0107 -5.7124 3  233.5572244  595161404302011 3    291514 3      C-13-H3C(O)CH3
  822816.5223  0.0202 -5.6433 3  180.6499520  59516140432 528 1    31 329 1      C-13-H3C(O)CH3
  822816.5223  0.0202 -5.0999 3  180.6499520  59516140432 528 1    31 229 1      C-13-H3C(O)CH3
  822816.5223  0.0202 -5.0999 3  180.6499520  59516140432 428 1    31 329 1      C-13-H3C(O)CH3
  822816.5223  0.0202 -5.6433 3  180.6499520  59516140432 428 1    31 229 1      C-13-H3C(O)CH3
  822822.6520  0.0762 -5.0744 3  581.3560372  595161404463116 4    453015 4      C-13-H3C(O)CH3
  822826.4349  0.0111 -5.4119 3  233.5757488  595161404302011 1    291514 1      C-13-H3C(O)CH3
  822864.2723  0.0246 -5.6450 3  279.6597260  5951614043224 9 3    312110 3      C-13-H3C(O)CH3
  822886.7320  0.3550 -4.9763 3  911.0138468  595161404583424 3    573523 3      C-13-H3C(O)CH3
  822905.6876  0.0171 -5.3565 3  279.6798520  5951614043224 9 1    312110 1      C-13-H3C(O)CH3
  822932.7732  0.0139 -4.7348 3  312.0134552  595161404342411 0    332112 0      C-13-H3C(O)CH3
  822936.7010  0.3397 -4.9767 3  911.0124468  595161404583424 4    573523 4      C-13-H3C(O)CH3
  822968.8373  0.0275 -5.7578 3  311.9726276  595161404342410 4    332112 4      C-13-H3C(O)CH3
  823019.6645  0.0194 -4.8800 3  311.9892552  595161404342411 2    332112 2      C-13-H3C(O)CH3
  823048.9249  0.0267 -5.5026 3  311.9733276  595161404342410 3    332112 3      C-13-H3C(O)CH3
  823101.4691  0.0196 -5.4189 3  279.6597260  5951614043224 8 3    312110 3      C-13-H3C(O)CH3
  823109.2558  0.0106 -5.4113 3  233.5695488  595161404302011 2    291514 2      C-13-H3C(O)CH3
  823131.8981  0.0112 -5.4104 3  233.5879488  595161404302011 0    291514 0      C-13-H3C(O)CH3
  823147.3730  0.0407 -5.4143 3 1015.4192A48  595161404652442 0    642441 0      C-13-H3C(O)CH3
  823147.3730  0.0407 -5.4143 3 1015.4192A48  595161404652342 0    642341 0      C-13-H3C(O)CH3
  823147.3730  0.0407 -4.2631 3 1015.4192A48  595161404652342 0    642441 0      C-13-H3C(O)CH3
  823147.3730  0.0407 -4.2631 3 1015.4192A48  595161404652442 0    642341 0      C-13-H3C(O)CH3
  823172.3922  0.0197 -5.4054 3  279.6599260  5951614043224 8 4    312110 4      C-13-H3C(O)CH3
  823183.4629  0.0412 -4.2381 3 1015.4295A48  595161404652342 1    642341 1      C-13-H3C(O)CH3
  823183.4629  0.0412 -4.2381 3 1015.4295A48  595161404652442 1    642441 1      C-13-H3C(O)CH3
  823185.1971  0.0423 -4.7523 3 1015.4301A48  595161404652342 2    642441 2      C-13-H3C(O)CH3
  823185.1971  0.0423 -4.3902 3 1015.4301A48  595161404652442 2    642441 2      C-13-H3C(O)CH3
  823185.1971  0.0423 -4.7523 3 1015.4301A48  595161404652442 2    642341 2      C-13-H3C(O)CH3
  823185.1971  0.0423 -4.3902 3 1015.4301A48  595161404652342 2    642341 2      C-13-H3C(O)CH3
  823220.7145  0.0139 -5.1122 3  279.6798520  5951614043224 8 1    312110 1      C-13-H3C(O)CH3
  823221.3303  0.0412 -4.7987 3 1015.4404524  595161404652342 3    642441 3      C-13-H3C(O)CH3
  823221.3303  0.0412 -4.7987 3 1015.4404524  595161404652442 3    642341 3      C-13-H3C(O)CH3
  823221.3303  0.0412 -4.8758 3 1015.4404524  595161404652442 3    642441 3      C-13-H3C(O)CH3
  823221.3303  0.0412 -4.8758 3 1015.4404524  595161404652342 3    642341 3      C-13-H3C(O)CH3
  823221.4007  0.0413 -4.5381 3 1015.4404524  595161404652342 4    642341 4      C-13-H3C(O)CH3
  823221.4007  0.0413 -4.5381 3 1015.4404524  595161404652442 4    642441 4      C-13-H3C(O)CH3
  823377.7281  0.0195 -5.1856 3  279.6818520  5951614043224 9 2    312110 2      C-13-H3C(O)CH3
  823378.7048  0.0223 -5.2808 3  311.9892552  595161404342410 2    332112 2      C-13-H3C(O)CH3
  823455.7305  0.0178 -5.2553 3  279.6818520  5951614043224 8 2    312110 2      C-13-H3C(O)CH3
  823484.8791  0.0180 -5.0065 3  180.6097520  59516140432 528 0    31 329 0      C-13-H3C(O)CH3
  823484.8791  0.0180 -5.0065 3  180.6097520  59516140432 428 0    31 229 0      C-13-H3C(O)CH3
  823494.9093  0.0122 -4.9186 3  279.7016520  5951614043224 9 0    312110 0      C-13-H3C(O)CH3
  823619.0399  0.0219 -4.6410 3 1159.6348652  59516140481 676 4    80 675 4      C-13-H3C(O)CH3
  823619.0399  0.0219 -5.1725 3 1159.6348652  59516140481 576 4    80 675 4      C-13-H3C(O)CH3
  823619.0399  0.0219 -5.1725 3 1159.6348652  59516140481 676 4    80 575 4      C-13-H3C(O)CH3
  823619.0399  0.0219 -4.6410 3 1159.6348652  59516140481 576 4    80 575 4      C-13-H3C(O)CH3
  823619.0789  0.0219 -4.6444 3 1159.6348652  59516140481 576 3    80 575 3      C-13-H3C(O)CH3
  823619.0789  0.0219 -4.6444 3 1159.6348652  59516140481 676 3    80 675 3      C-13-H3C(O)CH3
  823619.0789  0.0219 -5.1610 3 1159.6348652  59516140481 676 3    80 575 3      C-13-H3C(O)CH3
  823619.0789  0.0219 -5.1610 3 1159.6348652  59516140481 576 3    80 675 3      C-13-H3C(O)CH3
  823622.8945  0.0580 -4.3810 3  581.3432744  595161404463116 2    453015 2      C-13-H3C(O)CH3
  823625.2948  0.0398 -4.7285 3 1159.6676D04  59516140481 676 1    80 675 1      C-13-H3C(O)CH3
  823625.2948  0.0398 -4.3929 3 1159.6676D04  59516140481 576 1    80 675 1      C-13-H3C(O)CH3
  823625.2948  0.0398 -4.7285 3 1159.6676D04  59516140481 576 1    80 575 1      C-13-H3C(O)CH3
  823625.2948  0.0398 -4.3929 3 1159.6676D04  59516140481 676 1    80 575 1      C-13-H3C(O)CH3
  823625.4761  0.0393 -4.2325 3 1159.6675D04  59516140481 676 2    80 675 2      C-13-H3C(O)CH3
  823625.4761  0.0393 -4.2325 3 1159.6675D04  59516140481 576 2    80 575 2      C-13-H3C(O)CH3
  823631.7000  0.0245 -4.2622 3 1159.7003D04  59516140481 676 0    80 575 0      C-13-H3C(O)CH3
  823631.7000  0.0245 -5.3498 3 1159.7003D04  59516140481 676 0    80 675 0      C-13-H3C(O)CH3
  823631.7000  0.0245 -5.3498 3 1159.7003D04  59516140481 576 0    80 575 0      C-13-H3C(O)CH3
  823631.7000  0.0245 -4.2622 3 1159.7003D04  59516140481 576 0    80 675 0      C-13-H3C(O)CH3
  823738.5842  0.0198 -5.7563 3  240.0868236  5951614042925 4 4    2822 6 4      C-13-H3C(O)CH3
  823769.8122  0.2623 -4.6717 3  911.0013936  595161404583424 1    573523 1      C-13-H3C(O)CH3
  823778.8580  0.0308 -4.2612 3 1120.4587B92  595161404741461 0    731360 0      C-13-H3C(O)CH3
  823778.8580  0.0308 -4.2612 3 1120.4587B92  595161404741361 0    731460 0      C-13-H3C(O)CH3
  823785.6633  0.3874 -4.6717 3  911.0014936  595161404583424 2    573523 2      C-13-H3C(O)CH3
  823814.6802  0.0374 -4.4107 3 1120.4519B92  595161404741361 1    731460 1      C-13-H3C(O)CH3
  823814.6802  0.0374 -4.7792 3 1120.4519B92  595161404741461 1    731460 1      C-13-H3C(O)CH3
  823814.6802  0.0374 -4.7792 3 1120.4519B92  595161404741361 1    731360 1      C-13-H3C(O)CH3
  823814.6802  0.0374 -4.4107 3 1120.4519B92  595161404741461 1    731360 1      C-13-H3C(O)CH3
  823814.7183  0.0365 -5.2891 3 1120.4517B92  595161404741461 2    731460 2      C-13-H3C(O)CH3
  823814.7183  0.0365 -4.2982 3 1120.4517B92  595161404741461 2    731360 2      C-13-H3C(O)CH3
  823814.7183  0.0365 -4.2982 3 1120.4517B92  595161404741361 2    731460 2      C-13-H3C(O)CH3
  823814.7183  0.0365 -5.2891 3 1120.4517B92  595161404741361 2    731360 2      C-13-H3C(O)CH3
  823850.5719  0.0368 -4.5823 3 1120.4449596  595161404741361 3    731360 3      C-13-H3C(O)CH3
  823850.5719  0.0368 -4.5823 3 1120.4449596  595161404741461 3    731460 3      C-13-H3C(O)CH3
  823850.5719  0.0368 -5.8028 3 1120.4449596  595161404741361 3    731460 3      C-13-H3C(O)CH3
  823850.5719  0.0368 -5.8028 3 1120.4449596  595161404741461 3    731360 3      C-13-H3C(O)CH3
  823850.6261  0.0369 -4.8534 3 1120.4449596  595161404741461 4    731460 4      C-13-H3C(O)CH3
  823850.6261  0.0369 -4.8627 3 1120.4449596  595161404741461 4    731360 4      C-13-H3C(O)CH3
  823850.6261  0.0369 -4.8627 3 1120.4449596  595161404741361 4    731460 4      C-13-H3C(O)CH3
  823850.6261  0.0369 -4.8534 3 1120.4449596  595161404741361 4    731360 4      C-13-H3C(O)CH3
  823899.3171  0.0169 -5.7527 3  240.0622236  5951614042925 5 3    2822 6 3      C-13-H3C(O)CH3
  823946.9087  0.0375 -4.1500 3  581.3294744  595161404463116 1    453015 1      C-13-H3C(O)CH3
  823998.1471  0.0422 -4.9575 3 1031.1757A64  595161404662244 0    652343 0      C-13-H3C(O)CH3
  823998.1471  0.0422 -4.9575 3 1031.1757A64  595161404662344 0    652243 0      C-13-H3C(O)CH3
  823998.1471  0.0422 -4.3323 3 1031.1757A64  595161404662244 0    652243 0      C-13-H3C(O)CH3
  823998.1471  0.0422 -4.3323 3 1031.1757A64  595161404662344 0    652343 0      C-13-H3C(O)CH3
  824018.3860  0.0323 -4.2779 3  866.8349920  595161404573126 0    563225 0      C-13-H3C(O)CH3
  824032.0276  0.0324 -4.2784 3  866.8373920  595161404573126 1    563225 1      C-13-H3C(O)CH3
  824034.1089  0.0426 -4.2623 3 1031.1857A64  595161404662244 1    652343 1      C-13-H3C(O)CH3
  824034.1089  0.0426 -5.5389 3 1031.1857A64  595161404662244 1    652243 1      C-13-H3C(O)CH3
  824034.1089  0.0426 -4.2623 3 1031.1857A64  595161404662344 1    652243 1      C-13-H3C(O)CH3
  824034.1089  0.0426 -5.5389 3 1031.1857A64  595161404662344 1    652343 1      C-13-H3C(O)CH3
  824035.6607  0.0435 -4.2902 3 1031.1862A64  595161404662344 2    652243 2      C-13-H3C(O)CH3
  824035.6607  0.0435 -4.2902 3 1031.1862A64  595161404662244 2    652343 2      C-13-H3C(O)CH3
  824035.6607  0.0435 -5.2011 3 1031.1862A64  595161404662344 2    652343 2      C-13-H3C(O)CH3
  824035.6607  0.0435 -5.2011 3 1031.1862A64  595161404662244 2    652243 2      C-13-H3C(O)CH3
  824048.9938  0.0413 -4.2784 3  866.8371920  595161404573126 2    563225 2      C-13-H3C(O)CH3
  824059.8312  0.0405 -4.5799 3  866.8395460  595161404573126 3    563225 3      C-13-H3C(O)CH3
  824062.1186  0.0398 -4.5799 3  866.8395460  595161404573126 4    563225 4      C-13-H3C(O)CH3
  824071.6647  0.0423 -5.3989 3 1031.1962532  595161404662344 3    652243 3      C-13-H3C(O)CH3
  824071.6647  0.0423 -4.6058 3 1031.1962532  595161404662244 3    652243 3      C-13-H3C(O)CH3
  824071.6647  0.0423 -5.3989 3 1031.1962532  595161404662244 3    652343 3      C-13-H3C(O)CH3
  824071.6647  0.0423 -4.6058 3 1031.1962532  595161404662344 3    652343 3      C-13-H3C(O)CH3
  824071.7341  0.0423 -6.0605 3 1031.1962532  595161404662244 4    652343 4      C-13-H3C(O)CH3
  824071.7341  0.0423 -6.0605 3 1031.1962532  595161404662344 4    652243 4      C-13-H3C(O)CH3
  824071.7341  0.0423 -4.5543 3 1031.1962532  595161404662344 4    652343 4      C-13-H3C(O)CH3
  824071.7341  0.0423 -4.5543 3 1031.1962532  595161404662244 4    652243 4      C-13-H3C(O)CH3
  824125.5078  0.0052 -3.3363 3  554.8912696 -5951614044337 6 0    4236 7 0      C-13-H3C(O)CH3
  824125.5078  0.0052 -3.3363 3  554.8912696 -5951614044337 7 0    4236 6 0      C-13-H3C(O)CH3
  824216.2035  0.0056 -3.3363 3  554.8722696 -5951614044337 7 2    4236 7 2      C-13-H3C(O)CH3
  824220.1613  0.0057 -3.3363 3  554.8953696 -5951614044337 6 2    4236 6 2      C-13-H3C(O)CH3
  824220.7238  0.0160 -5.4556 3  240.1022472  5951614042925 4 1    2822 6 1      C-13-H3C(O)CH3
  824268.8467  0.0055 -3.3362 3  554.8592696 -5951614044337 7 1    4236 7 1      C-13-H3C(O)CH3
  824283.2362  0.0058 -3.3361 3  554.9016696 -5951614044337 6 1    4236 6 1      C-13-H3C(O)CH3
  824300.7804  0.0173 -5.7549 3  240.0574236  5951614042925 4 3    2822 7 3      C-13-H3C(O)CH3
  824341.4394  0.0065 -3.6629 3  581.3245744 -595161404463116 0    453015 0      C-13-H3C(O)CH3
  824359.9506  0.0079 -3.6372 3  554.8401348  5951614044337 7 4    4236 7 4      C-13-H3C(O)CH3
  824363.1572  0.0078 -3.6372 3  554.8632348  5951614044337 7 3    4236 7 3      C-13-H3C(O)CH3
  824373.6465  0.0078 -3.6372 3  554.8826348  5951614044337 6 3    4236 6 3      C-13-H3C(O)CH3
  824377.1532  0.0081 -3.6372 3  554.9055348  5951614044337 6 4    4236 6 4      C-13-H3C(O)CH3
  824427.1645  0.0153 -5.4582 3  240.1137472  5951614042925 4 2    2822 6 2      C-13-H3C(O)CH3
  824459.6504  0.0186 -5.7512 3  240.0329236  5951614042925 5 4    2822 7 4      C-13-H3C(O)CH3
  824541.3432  0.0444 -4.1228 3  581.3300372  595161404463116 3    453015 3      C-13-H3C(O)CH3
  824583.9308  0.0157 -5.4545 3  240.0891472  5951614042925 5 2    2822 7 2      C-13-H3C(O)CH3
  824636.9277  0.2873 -4.6680 3  910.9898936  595161404583424 0    573523 0      C-13-H3C(O)CH3
  824683.5680  0.0124 -5.8807 3  599.7595760  595161404473017 1    462917 1      C-13-H3C(O)CH3
  824686.3144  0.0202 -5.4005 3  279.5963260  5951614043224 9 4    312111 4      C-13-H3C(O)CH3
  824750.1032  0.0188 -5.4193 3  279.5968260  5951614043224 9 3    312111 3      C-13-H3C(O)CH3
  824778.9919  0.0158 -5.4540 3  240.0729472  5951614042925 5 1    2822 7 1      C-13-H3C(O)CH3
  824799.8732  0.0137 -5.1100 3  279.6166520  5951614043224 9 1    312111 1      C-13-H3C(O)CH3
  824812.5801  0.0156 -5.5532 3  599.7564760  595161404473017 2    462917 2      C-13-H3C(O)CH3
  824825.8074  0.0176 -4.9183 3 1165.5351660  59516140482 478 4    81 577 4      C-13-H3C(O)CH3
  824825.8074  0.0176 -4.7538 3 1165.5351660  59516140482 578 4    81 577 4      C-13-H3C(O)CH3
  824825.8074  0.0176 -4.9183 3 1165.5351660  59516140482 578 4    81 477 4      C-13-H3C(O)CH3
  824825.8074  0.0176 -4.7538 3 1165.5351660  59516140482 478 4    81 477 4      C-13-H3C(O)CH3
  824825.8498  0.0176 -4.8048 3 1165.5351660  59516140482 478 3    81 477 3      C-13-H3C(O)CH3
  824825.8498  0.0176 -4.8532 3 1165.5351660  59516140482 478 3    81 577 3      C-13-H3C(O)CH3
  824825.8498  0.0176 -4.8532 3 1165.5351660  59516140482 578 3    81 477 3      C-13-H3C(O)CH3
  824825.8498  0.0176 -4.8048 3 1165.5351660  59516140482 578 3    81 577 3      C-13-H3C(O)CH3
  824840.1810  0.0289 -4.2264 3 1165.5650D20  59516140482 578 1    81 577 1      C-13-H3C(O)CH3
  824840.3263  0.0291 -4.4195 3 1165.5648D20  59516140482 578 2    81 477 2      C-13-H3C(O)CH3
  824840.3263  0.0291 -4.4195 3 1165.5648D20  59516140482 478 2    81 577 2      C-13-H3C(O)CH3
  824840.3306  0.0291 -4.6711 3 1165.5648D20 -59516140482 478 2    81 477 2      C-13-H3C(O)CH3
  824840.3306  0.0291 -4.6711 3 1165.5648D20 -59516140482 578 2    81 577 2      C-13-H3C(O)CH3
  824840.3306  0.0289 -4.2264 3 1165.5650D20 -59516140482 478 1    81 477 1      C-13-H3C(O)CH3
  824851.4964  0.0190 -4.2611 3 1165.5947D20 -59516140482 578 0    81 477 0      C-13-H3C(O)CH3
  824851.4964  0.0190 -4.2611 3 1165.5947D20 -59516140482 478 0    81 577 0      C-13-H3C(O)CH3
  824854.6605  0.0190 -5.3412 3 1165.5947D20  59516140482 478 0    81 477 0      C-13-H3C(O)CH3
  824854.6605  0.0190 -5.3412 3 1165.5947D20  59516140482 578 0    81 577 0      C-13-H3C(O)CH3
  824897.9288  0.4279 -5.8433 3 1347.2836B28  595161404704427 1    694524 1      C-13-H3C(O)CH3
  824905.9633  0.0294 -4.2624 3 1130.6723C08  595161404751363 0    741362 0      C-13-H3C(O)CH3
  824905.9633  0.0294 -4.2624 3 1130.6723C08  595161404751263 0    741262 0      C-13-H3C(O)CH3
  824906.4320  0.0432 -4.2715 3 1046.3628A80  595161404672146 0    662145 0      C-13-H3C(O)CH3
  824906.4320  0.0432 -5.5017 3 1046.3628A80  595161404672146 0    662245 0      C-13-H3C(O)CH3
  824906.4320  0.0432 -4.2715 3 1046.3628A80  595161404672246 0    662245 0      C-13-H3C(O)CH3
  824906.4320  0.0432 -5.5017 3 1046.3628A80  595161404672246 0    662145 0      C-13-H3C(O)CH3
  824908.9715  0.0161 -5.4584 3  240.1289472  5951614042925 5 0    2822 6 0      C-13-H3C(O)CH3
  824910.4592  0.0161 -5.4584 3  240.1289472  5951614042925 4 0    2822 7 0      C-13-H3C(O)CH3
  824939.9176  0.0382 -4.6261 3 1130.6619C08  595161404751363 2    741262 2      C-13-H3C(O)CH3
  824939.9176  0.0382 -4.6261 3 1130.6619C08  595161404751263 2    741362 2      C-13-H3C(O)CH3
  824939.9176  0.0382 -4.5043 3 1130.6619C08  595161404751363 2    741362 2      C-13-H3C(O)CH3
  824939.9176  0.0382 -4.5043 3 1130.6619C08  595161404751263 2    741262 2      C-13-H3C(O)CH3
  824939.9744  0.0396 -5.8623 3 1130.6621C08  595161404751263 1    741362 1      C-13-H3C(O)CH3
  824939.9744  0.0396 -5.8623 3 1130.6621C08  595161404751363 1    741262 1      C-13-H3C(O)CH3
  824939.9744  0.0396 -4.2709 3 1130.6621C08  595161404751263 1    741262 1      C-13-H3C(O)CH3
  824939.9744  0.0396 -4.2709 3 1130.6621C08  595161404751363 1    741362 1      C-13-H3C(O)CH3
  824942.4867  0.0435 -4.2542 3 1046.3722A80  595161404672246 1    662245 1      C-13-H3C(O)CH3
  824942.4867  0.0435 -6.0124 3 1046.3722A80  595161404672246 1    662145 1      C-13-H3C(O)CH3
  824942.4867  0.0435 -4.2542 3 1046.3722A80  595161404672146 1    662145 1      C-13-H3C(O)CH3
  824942.4867  0.0435 -6.0124 3 1046.3722A80  595161404672146 1    662245 1      C-13-H3C(O)CH3
  824943.8707  0.0443 -4.2979 3 1046.3726A80  595161404672146 2    662145 2      C-13-H3C(O)CH3
  824943.8707  0.0443 -5.2004 3 1046.3726A80  595161404672246 2    662145 2      C-13-H3C(O)CH3
  824943.8707  0.0443 -5.2004 3 1046.3726A80  595161404672146 2    662245 2      C-13-H3C(O)CH3
  824943.8707  0.0443 -4.2979 3 1046.3726A80  595161404672246 2    662245 2      C-13-H3C(O)CH3
  824945.5172  0.4207 -5.8499 3 1347.2745B28  595161404704427 2    694524 2      C-13-H3C(O)CH3
  824973.9571  0.0358 -4.5609 3 1130.6516604  595161404751363 3    741262 3      C-13-H3C(O)CH3
  824973.9571  0.0358 -4.5609 3 1130.6516604  595161404751263 3    741362 3      C-13-H3C(O)CH3
  824974.0054  0.0358 -4.5664 3 1130.6516604  595161404751263 4    741262 4      C-13-H3C(O)CH3
  824974.0054  0.0358 -4.5664 3 1130.6516604  595161404751363 4    741362 4      C-13-H3C(O)CH3
  824979.9667  0.0430 -4.5521 3 1046.3820540  595161404672246 3    662245 3      C-13-H3C(O)CH3
  824979.9667  0.0430 -4.5521 3 1046.3820540  595161404672146 3    662145 3      C-13-H3C(O)CH3
  824980.0352  0.0431 -4.6045 3 1046.3820540  595161404672146 4    662245 4      C-13-H3C(O)CH3
  824980.0352  0.0431 -5.4590 3 1046.3820540  595161404672246 4    662245 4      C-13-H3C(O)CH3
  824980.0352  0.0431 -4.6045 3 1046.3820540  595161404672246 4    662145 4      C-13-H3C(O)CH3
  824980.0352  0.0431 -5.4590 3 1046.3820540  595161404672146 4    662145 4      C-13-H3C(O)CH3
  824987.3000  0.0247 -5.6427 3  279.5968260  5951614043224 8 3    312111 3      C-13-H3C(O)CH3
  825059.0621  0.0188 -5.4094 3  599.7482380  595161404473017 4    462917 4      C-13-H3C(O)CH3
  825067.5027  0.0094 -3.8336 3  581.3294744 -595161404463115 1    453015 1      C-13-H3C(O)CH3
  825078.8906  0.0246 -5.6737 3  279.5963260  5951614043224 8 4    312111 4      C-13-H3C(O)CH3
  825114.9000  0.0158 -5.3567 3  279.6166520  5951614043224 8 1    312111 1      C-13-H3C(O)CH3
  825126.8699  0.0098 -3.7543 3  581.3432744 -595161404463115 2    453015 2      C-13-H3C(O)CH3
  825157.2442  0.0142 -4.4747 3  581.3300372  595161404463115 3    453015 3      C-13-H3C(O)CH3
  825157.5953  0.0190 -5.2516 3  279.6224520  5951614043224 9 2    312111 2      C-13-H3C(O)CH3
  825218.8563  0.4140 -5.8435 3 1347.2433B28  595161404704427 0    694524 0      C-13-H3C(O)CH3
  825235.5977  0.0178 -5.1870 3  279.6224520  5951614043224 8 2    312111 2      C-13-H3C(O)CH3
  825282.4541  0.0118 -4.9177 3  279.6422520  5951614043224 8 0    312111 0      C-13-H3C(O)CH3
  825314.7485  0.0107 -3.9980 3  581.3560372  595161404463115 4    453015 4      C-13-H3C(O)CH3
  825359.2470  0.0088 -3.8330 3  581.2823744 -595161404463116 1    453016 1      C-13-H3C(O)CH3
  825376.6901  0.0241 -5.4204 3  295.4487268  595161404332410 3    322111 3      C-13-H3C(O)CH3
  825390.6575  0.0083 -3.7535 3  581.2842744 -595161404463116 2    453016 2      C-13-H3C(O)CH3
  825411.8215  0.0166 -5.0828 3  295.4696536  595161404332410 1    322111 1      C-13-H3C(O)CH3
  825471.9652  0.0093 -3.9970 3  581.2676372  595161404463116 4    453016 4      C-13-H3C(O)CH3
  825512.6539  0.0260 -5.3085 3  295.4481268  595161404332410 4    322111 4      C-13-H3C(O)CH3
  825535.7812  0.0048 -3.4132 3  561.6161712 -595161404443510 0    4334 9 0      C-13-H3C(O)CH3
  825535.7812  0.0048 -3.4132 3  561.6161712 -5951614044435 9 0    433410 0      C-13-H3C(O)CH3
  825607.9466  0.0054 -3.4134 3  561.6328712 -5951614044435 9 2    4334 9 2      C-13-H3C(O)CH3
  825620.9881  0.0214 -5.5823 3  295.4481268  5951614043324 9 4    322111 4      C-13-H3C(O)CH3
  825629.0123  0.0128 -4.4737 3  581.2937372  595161404463116 3    453016 3      C-13-H3C(O)CH3
  825634.0980  0.0148 -5.1686 3  295.4696536  5951614043324 9 1    322111 1      C-13-H3C(O)CH3
  825644.4198  0.0055 -3.4132 3  561.6116712 -595161404443510 2    433410 2      C-13-H3C(O)CH3
  825653.4717  0.0055 -3.4132 3  561.5933712 -595161404443510 1    433410 1      C-13-H3C(O)CH3
  825666.0440  0.0056 -3.4131 3  561.6241712 -5951614044435 9 1    4334 9 1      C-13-H3C(O)CH3
  825717.2754  0.0228 -5.4279 3  295.4487268  5951614043324 9 3    322111 3      C-13-H3C(O)CH3
  825726.1115  0.0073 -3.7143 3  561.6100356  595161404443510 3    433410 3      C-13-H3C(O)CH3
  825737.9519  0.0078 -3.7143 3  561.6407356  5951614044435 9 4    4334 9 4      C-13-H3C(O)CH3
  825762.9654  0.0075 -3.7142 3  561.5887356  595161404443510 4    433410 4      C-13-H3C(O)CH3
  825775.1021  0.0072 -3.7142 3  561.6196356  5951614044435 9 3    4334 9 3      C-13-H3C(O)CH3
  825817.5910  0.0064 -3.6616 3  581.2909744  595161404463115 0    453016 0      C-13-H3C(O)CH3
  825859.7957  0.0437 -4.2715 3 1060.9868A96  595161404682148 0    672147 0      C-13-H3C(O)CH3
  825859.7957  0.0437 -5.6469 3 1060.9868A96  595161404682048 0    672147 0      C-13-H3C(O)CH3
  825859.7957  0.0437 -5.6469 3 1060.9868A96  595161404682148 0    672047 0      C-13-H3C(O)CH3
  825859.7957  0.0437 -4.2715 3 1060.9868A96  595161404682048 0    672047 0      C-13-H3C(O)CH3
  825883.4841  0.0182 -5.0242 3  295.4679536  595161404332410 2    322111 2      C-13-H3C(O)CH3
  825890.8689  0.0123 -4.8246 3  295.4890536  595161404332410 0    322111 0      C-13-H3C(O)CH3
  825896.0990  0.0439 -4.5716 3 1060.9954A96  595161404682148 1    672047 1      C-13-H3C(O)CH3
  825896.0990  0.0439 -4.5716 3 1060.9954A96  595161404682048 1    672147 1      C-13-H3C(O)CH3
  825896.0990  0.0439 -4.5383 3 1060.9954A96  595161404682048 1    672047 1      C-13-H3C(O)CH3
  825896.0990  0.0439 -4.5383 3 1060.9954A96  595161404682148 1    672147 1      C-13-H3C(O)CH3
  825897.3176  0.0446 -4.2727 3 1060.9958A96  595161404682148 2    672147 2      C-13-H3C(O)CH3
  825897.3176  0.0446 -4.2727 3 1060.9958A96  595161404682048 2    672047 2      C-13-H3C(O)CH3
  825897.3176  0.0446 -5.6194 3 1060.9958A96  595161404682148 2    672047 2      C-13-H3C(O)CH3
  825897.3176  0.0446 -5.6194 3 1060.9958A96  595161404682048 2    672147 2      C-13-H3C(O)CH3
  825933.6616  0.0435 -4.5843 3 1061.0044548  595161404682048 3    672047 3      C-13-H3C(O)CH3
  825933.6616  0.0435 -5.7347 3 1061.0044548  595161404682048 3    672147 3      C-13-H3C(O)CH3
  825933.6616  0.0435 -4.5843 3 1061.0044548  595161404682148 3    672147 3      C-13-H3C(O)CH3
  825933.6616  0.0435 -5.7347 3 1061.0044548  595161404682148 3    672047 3      C-13-H3C(O)CH3
  825933.7294  0.0435 -4.5934 3 1061.0044548  595161404682048 4    672047 4      C-13-H3C(O)CH3
  825933.7294  0.0435 -4.5934 3 1061.0044548  595161404682148 4    672147 4      C-13-H3C(O)CH3
  825933.7294  0.0435 -5.6228 3 1061.0044548  595161404682048 4    672147 4      C-13-H3C(O)CH3
  825933.7294  0.0435 -5.6228 3 1061.0044548  595161404682148 4    672047 4      C-13-H3C(O)CH3
  826008.6619  0.0198 -5.2572 3  295.4679536  5951614043324 9 2    322111 2      C-13-H3C(O)CH3
  826044.5700  0.0130 -4.6912 3 1170.9090668 -59516140483 380 3    82 479 3      C-13-H3C(O)CH3
  826044.5700  0.0130 -4.8232 3 1170.9090668 -59516140483 380 4    82 379 4      C-13-H3C(O)CH3
  826044.5700  0.0130 -5.0219 3 1170.9090668 -59516140483 480 3    82 479 3      C-13-H3C(O)CH3
  826044.5700  0.0130 -4.8285 3 1170.9090668 -59516140483 480 4    82 379 4      C-13-H3C(O)CH3
  826044.7193  0.0130 -4.8232 3 1170.9090668  59516140483 480 4    82 479 4      C-13-H3C(O)CH3
  826044.7193  0.0130 -4.8285 3 1170.9090668  59516140483 380 4    82 479 4      C-13-H3C(O)CH3
  826044.7513  0.0130 -4.6912 3 1170.9090668  59516140483 480 3    82 379 3      C-13-H3C(O)CH3
  826044.7513  0.0130 -5.0219 3 1170.9090668  59516140483 380 3    82 379 3      C-13-H3C(O)CH3
  826046.7785  0.0289 -4.2738 3 1140.3485C24  595161404761265 0    751264 0      C-13-H3C(O)CH3
  826046.7785  0.0289 -4.6779 3 1140.3485C24  595161404761165 0    751264 0      C-13-H3C(O)CH3
  826046.7785  0.0289 -5.8873 3 1140.3485C24  595161404761265 0    751164 0      C-13-H3C(O)CH3
  826046.7785  0.0289 -4.4745 3 1140.3485C24  595161404761165 0    751164 0      C-13-H3C(O)CH3
  826065.6848  0.0171 -4.2277 3 1170.9311D36  59516140483 480 1    82 379 1      C-13-H3C(O)CH3
  826065.6848  0.0171 -4.2277 3 1170.9311D36  59516140483 380 1    82 479 1      C-13-H3C(O)CH3
  826065.7159  0.0184 -4.5807 3 1170.9308D36  59516140483 480 2    82 379 2      C-13-H3C(O)CH3
  826065.7159  0.0184 -4.5807 3 1170.9308D36  59516140483 380 2    82 479 2      C-13-H3C(O)CH3
  826065.7159  0.0184 -4.4753 3 1170.9308D36  59516140483 380 2    82 379 2      C-13-H3C(O)CH3
  826065.7159  0.0184 -4.4753 3 1170.9308D36  59516140483 480 2    82 479 2      C-13-H3C(O)CH3
  826078.0804  0.0412 -4.4254 3 1140.3343C24  595161404761165 2    751164 2      C-13-H3C(O)CH3
  826078.0804  0.0412 -4.7699 3 1140.3343C24  595161404761165 2    751264 2      C-13-H3C(O)CH3
  826078.0804  0.0412 -4.7699 3 1140.3343C24  595161404761265 2    751164 2      C-13-H3C(O)CH3
  826078.0804  0.0412 -4.4254 3 1140.3343C24  595161404761265 2    751264 2      C-13-H3C(O)CH3
  826078.1925  0.0430 -4.2696 3 1140.3345C24  595161404761165 1    751164 1      C-13-H3C(O)CH3
  826078.1925  0.0430 -6.1039 3 1140.3345C24  595161404761165 1    751264 1      C-13-H3C(O)CH3
  826078.1925  0.0430 -4.2696 3 1140.3345C24  595161404761265 1    751264 1      C-13-H3C(O)CH3
  826078.1925  0.0430 -6.1039 3 1140.3345C24  595161404761265 1    751164 1      C-13-H3C(O)CH3
  826086.6409  0.0128 -4.2454 3 1170.9529D36  59516140483 380 0    82 479 0      C-13-H3C(O)CH3
  826086.6409  0.0128 -5.5379 3 1170.9529D36  59516140483 380 0    82 379 0      C-13-H3C(O)CH3
  826086.6409  0.0128 -5.5379 3 1170.9529D36  59516140483 480 0    82 479 0      C-13-H3C(O)CH3
  826086.6409  0.0128 -4.2454 3 1170.9529D36  59516140483 480 0    82 379 0      C-13-H3C(O)CH3
  826109.5194  0.0347 -5.1021 3 1140.3202612  595161404761265 3    751264 3      C-13-H3C(O)CH3
  826109.5194  0.0347 -5.1021 3 1140.3202612  595161404761165 3    751164 3      C-13-H3C(O)CH3
  826109.5194  0.0347 -4.7130 3 1140.3202612  595161404761265 3    751164 3      C-13-H3C(O)CH3
  826109.5194  0.0347 -4.7130 3 1140.3202612  595161404761165 3    751264 3      C-13-H3C(O)CH3
  826109.5601  0.0347 -5.8182 3 1140.3202612  595161404761165 4    751264 4      C-13-H3C(O)CH3
  826109.5601  0.0347 -4.5892 3 1140.3202612  595161404761165 4    751164 4      C-13-H3C(O)CH3
  826109.5601  0.0347 -5.8182 3 1140.3202612  595161404761265 4    751164 4      C-13-H3C(O)CH3
  826109.5601  0.0347 -4.5892 3 1140.3202612  595161404761265 4    751264 4      C-13-H3C(O)CH3
  826229.8264  0.0051 -3.5133 3  570.2886728 -595161404453313 0    443212 0      C-13-H3C(O)CH3
  826233.9055  0.0051 -3.5133 3  570.2885728  595161404453312 0    443213 0      C-13-H3C(O)CH3
  826239.1741  0.7989 -5.6341 3 1118.3890516  595161404643925 3    634024 3      C-13-H3C(O)CH3
  826244.9133  0.0459 -4.1214 3  581.2937372  595161404463115 3    453016 3      C-13-H3C(O)CH3
  826323.0102  0.0054 -3.5134 3  570.3181728 -595161404453312 2    443212 2      C-13-H3C(O)CH3
  826347.4271  0.0063 -3.5132 3  570.2726728 -595161404453313 1    443213 1      C-13-H3C(O)CH3
  826353.5787  0.0055 -3.5133 3  570.3008728 -595161404453312 1    443212 1      C-13-H3C(O)CH3
  826367.5270  0.7029 -5.6436 3 1118.3854516  595161404643925 4    634024 4      C-13-H3C(O)CH3
  826381.3531  0.0060 -3.5130 3  570.2857728 -595161404453313 2    443213 2      C-13-H3C(O)CH3
  826439.3423  0.0075 -3.8146 3  570.3021364  595161404453312 3    443212 3      C-13-H3C(O)CH3
  826445.2737  0.0070 -3.8145 3  570.3303364  595161404453312 4    443212 4      C-13-H3C(O)CH3
  826479.9160  0.0398 -4.1479 3  581.2823744  595161404463115 1    453016 1      C-13-H3C(O)CH3
  826497.4464  0.0083 -3.8140 3  570.2696364  595161404453313 4    443213 4      C-13-H3C(O)CH3
  826503.8368  0.0074 -3.8143 3  570.2979364  595161404453313 3    443213 3      C-13-H3C(O)CH3
  826653.2468  0.3479 -6.0781 3 1369.6773B44  595161404714230 0    704327 0      C-13-H3C(O)CH3
  826683.4822  0.0071 -4.4880 3  277.8015284  595161404351323 4    341024 4      C-13-H3C(O)CH3
  826683.4822  0.0071 -4.4880 3  277.8015284  595161404351223 4    341124 4      C-13-H3C(O)CH3
  826683.9372  0.0064 -4.4880 3  277.8015284  595161404351323 3    341024 3      C-13-H3C(O)CH3
  826683.9372  0.0064 -4.4880 3  277.8015284  595161404351223 3    341124 3      C-13-H3C(O)CH3
  826800.3561  0.4059 -6.0751 3 1369.6841B44  595161404714230 2    704327 2      C-13-H3C(O)CH3
  826838.3216  0.0062 -4.1869 3  277.8187568  595161404351323 2    341024 2      C-13-H3C(O)CH3
  826838.3216  0.0062 -4.1869 3  277.8187568  595161404351223 2    341124 2      C-13-H3C(O)CH3
  826849.2999  0.0436 -4.2605 3 1075.0532B12  595161404692050 0    682049 0      C-13-H3C(O)CH3
  826849.2999  0.0436 -4.2605 3 1075.0532B12  595161404691950 0    681949 0      C-13-H3C(O)CH3
  826849.6330  0.0063 -4.1870 3  277.8200568  595161404351223 1    341124 1      C-13-H3C(O)CH3
  826849.6331  0.0063 -4.1870 3  277.8200568  595161404351323 1    341024 1      C-13-H3C(O)CH3
  826874.8771  0.3286 -6.0725 3 1369.6787B44  595161404714230 1    704327 1      C-13-H3C(O)CH3
  826885.9422  0.0438 -4.3931 3 1075.0607B12  595161404691950 1    682049 1      C-13-H3C(O)CH3
  826885.9422  0.0438 -4.3931 3 1075.0607B12  595161404692050 1    681949 1      C-13-H3C(O)CH3
  826885.9422  0.0438 -4.8405 3 1075.0607B12  595161404691950 1    681949 1      C-13-H3C(O)CH3
  826885.9422  0.0438 -4.8405 3 1075.0607B12  595161404692050 1    682049 1      C-13-H3C(O)CH3
  826886.9916  0.0444 -4.4818 3 1075.0610B12  595161404692050 2    681949 2      C-13-H3C(O)CH3
  826886.9916  0.0444 -4.6592 3 1075.0610B12  595161404692050 2    682049 2      C-13-H3C(O)CH3
  826886.9916  0.0444 -4.4818 3 1075.0610B12  595161404691950 2    682049 2      C-13-H3C(O)CH3
  826886.9916  0.0444 -4.6592 3 1075.0610B12  595161404691950 2    681949 2      C-13-H3C(O)CH3
  826895.1729  0.0616 -4.3784 3  581.2842744  595161404463115 2    453016 2      C-13-H3C(O)CH3
  826900.7481  0.0323 -4.2741 3  866.7631920  595161404573226 0    563125 0      C-13-H3C(O)CH3
  826923.6739  0.0437 -4.6930 3 1075.0685556  595161404692050 3    681949 3      C-13-H3C(O)CH3
  826923.6739  0.0437 -4.6930 3 1075.0685556  595161404691950 3    682049 3      C-13-H3C(O)CH3
  826923.6739  0.0437 -5.1446 3 1075.0685556  595161404691950 3    681949 3      C-13-H3C(O)CH3
  826923.6739  0.0437 -5.1446 3 1075.0685556  595161404692050 3    682049 3      C-13-H3C(O)CH3
  826923.7410  0.0437 -5.0059 3 1075.0685556  595161404692050 4    681949 4      C-13-H3C(O)CH3
  826923.7410  0.0437 -4.7550 3 1075.0685556  595161404691950 4    681949 4      C-13-H3C(O)CH3
  826923.7410  0.0437 -4.7550 3 1075.0685556  595161404692050 4    682049 4      C-13-H3C(O)CH3
  826923.7410  0.0437 -5.0059 3 1075.0685556  595161404691950 4    682049 4      C-13-H3C(O)CH3
  827003.7614  0.0059 -4.1868 3  277.8371568  595161404351323 0    341024 0      C-13-H3C(O)CH3
  827003.7614  0.0059 -4.1867 3  277.8371568  595161404351223 0    341124 0      C-13-H3C(O)CH3
  827046.9703  0.0287 -4.2744 3  866.7623920  595161404573226 1    563125 1      C-13-H3C(O)CH3
  827053.7045  0.0086 -6.0639 3  175.5431440  595161404271413 2    261116 2      C-13-H3C(O)CH3
  827062.2257  0.0299 -4.2744 3  866.7622920  595161404573226 2    563125 2      C-13-H3C(O)CH3
  827159.8380  0.0072 -4.3306 3  339.0193300  595161404371720 4    361621 4      C-13-H3C(O)CH3
  827160.0008  0.0071 -4.3306 3  339.0193300  595161404371720 3    361621 3      C-13-H3C(O)CH3
  827163.0231  0.0072 -4.3306 3  339.0193300  595161404371820 4    361521 4      C-13-H3C(O)CH3
  827163.1977  0.0071 -4.3306 3  339.0193300  595161404371820 3    361521 3      C-13-H3C(O)CH3
  827165.7468  0.0066 -4.0298 3  339.0445600  595161404371720 2    361621 2      C-13-H3C(O)CH3
  827168.8984  0.0066 -4.0298 3  339.0445600  595161404371820 2    361521 2      C-13-H3C(O)CH3
  827176.4785  0.0087 -6.0629 3  175.5452440  595161404271413 1    261116 1      C-13-H3C(O)CH3
  827186.9485  0.0063 -4.0298 3  339.0471600  595161404371720 1    361621 1      C-13-H3C(O)CH3
  827189.9729  0.0063 -4.0298 3  339.0471600  595161404371820 1    361521 1      C-13-H3C(O)CH3
  827192.7488  0.0058 -4.0299 3  339.0722600  595161404371720 0    361621 0      C-13-H3C(O)CH3
  827195.7316  0.0058 -4.0299 3  339.0722600  595161404371820 0    361521 0      C-13-H3C(O)CH3
  827200.8150  0.0293 -5.2267 3 1149.4885C40  595161404771067 0    761066 0      C-13-H3C(O)CH3
  827200.8150  0.0293 -4.3165 3 1149.4885C40  595161404771167 0    761066 0      C-13-H3C(O)CH3
  827200.8150  0.0293 -5.2267 3 1149.4885C40  595161404771167 0    761166 0      C-13-H3C(O)CH3
  827200.8150  0.0293 -4.3165 3 1149.4885C40  595161404771067 0    761166 0      C-13-H3C(O)CH3
  827210.0824  0.0232 -4.5757 3  866.7614460  595161404573226 4    563125 4      C-13-H3C(O)CH3
  827211.8417  0.0235 -4.5757 3  866.7613460  595161404573226 3    563125 3      C-13-H3C(O)CH3
  827228.5760  0.0451 -4.3456 3 1149.4702C40  595161404771067 2    761066 2      C-13-H3C(O)CH3
  827228.5760  0.0451 -5.0427 3 1149.4702C40  595161404771167 2    761066 2      C-13-H3C(O)CH3
  827228.5760  0.0451 -4.3456 3 1149.4702C40  595161404771167 2    761166 2      C-13-H3C(O)CH3
  827228.5760  0.0451 -5.0427 3 1149.4702C40  595161404771067 2    761166 2      C-13-H3C(O)CH3
  827228.6995  0.0472 -4.9173 3 1149.4704C40  595161404771067 1    761166 1      C-13-H3C(O)CH3
  827228.6995  0.0472 -5.0814 3 1149.4704C40  595161404771167 1    761166 1      C-13-H3C(O)CH3
  827228.6995  0.0472 -4.3382 3 1149.4704C40  595161404771167 1    761066 1      C-13-H3C(O)CH3
  827228.6995  0.0472 -4.3758 3 1149.4704C40  595161404771067 1    761066 1      C-13-H3C(O)CH3
  827256.4818  0.0337 -4.8929 3 1149.4521620  595161404771067 3    761166 3      C-13-H3C(O)CH3
  827256.4818  0.0337 -4.7381 3 1149.4521620  595161404771067 3    761066 3      C-13-H3C(O)CH3
  827256.4818  0.0337 -5.0662 3 1149.4521620  595161404771167 3    761066 3      C-13-H3C(O)CH3
  827256.4818  0.0337 -4.8523 3 1149.4521620  595161404771167 3    761166 3      C-13-H3C(O)CH3
  827256.5130  0.0337 -4.6588 3 1149.4520620  595161404771167 4    761066 4      C-13-H3C(O)CH3
  827256.5130  0.0337 -5.2875 3 1149.4520620  595161404771167 4    761166 4      C-13-H3C(O)CH3
  827256.5130  0.0337 -5.5488 3 1149.4520620  595161404771067 4    761066 4      C-13-H3C(O)CH3
  827256.5130  0.0337 -4.6149 3 1149.4520620  595161404771067 4    761166 4      C-13-H3C(O)CH3
  827266.0908  0.5794 -5.3347 3 1118.3580A32  595161404643925 1    634024 1      C-13-H3C(O)CH3
  827277.4526  0.0098 -4.6791 3 1175.7592676  59516140484 282 4    83 381 4      C-13-H3C(O)CH3
  827277.4526  0.0098 -5.0384 3 1175.7592676  59516140484 382 4    83 381 4      C-13-H3C(O)CH3
  827277.4584  0.0098 -5.1843 3 1175.7591676  59516140484 282 3    83 281 3      C-13-H3C(O)CH3
  827277.4584  0.0098 -4.6280 3 1175.7591676  59516140484 382 3    83 281 3      C-13-H3C(O)CH3
  827277.4900  0.0098 -5.0384 3 1175.7592676 -59516140484 282 4    83 281 4      C-13-H3C(O)CH3
  827277.4900  0.0098 -4.6791 3 1175.7592676 -59516140484 382 4    83 281 4      C-13-H3C(O)CH3
  827277.4900  0.0098 -4.6280 3 1175.7591676 -59516140484 282 3    83 381 3      C-13-H3C(O)CH3
  827277.4900  0.0098 -5.1843 3 1175.7591676 -59516140484 382 3    83 381 3      C-13-H3C(O)CH3
  827301.2454  0.0126 -4.4188 3 1175.7659D52 -59516140484 282 1    83 281 1      C-13-H3C(O)CH3
  827301.2454  0.0126 -4.6564 3 1175.7659D52 -59516140484 282 1    83 381 1      C-13-H3C(O)CH3
  827301.2454  0.0151 -4.4629 3 1175.7655D52 -59516140484 282 2    83 281 2      C-13-H3C(O)CH3
  827301.2454  0.0151 -4.5893 3 1175.7655D52 -59516140484 282 2    83 381 2      C-13-H3C(O)CH3
  827301.2454  0.0151 -4.4629 3 1175.7655D52 -59516140484 382 2    83 381 2      C-13-H3C(O)CH3
  827301.2454  0.0151 -4.5893 3 1175.7655D52 -59516140484 382 2    83 281 2      C-13-H3C(O)CH3
  827301.2454  0.0126 -4.6564 3 1175.7659D52 -59516140484 382 1    83 281 1      C-13-H3C(O)CH3
  827301.2454  0.0126 -4.4188 3 1175.7659D52 -59516140484 382 1    83 381 1      C-13-H3C(O)CH3
  827324.9411  0.0098 -5.4982 3 1175.7723D52  59516140484 282 0    83 381 0      C-13-H3C(O)CH3
  827324.9411  0.0098 -4.2440 3 1175.7723D52  59516140484 382 0    83 381 0      C-13-H3C(O)CH3
  827325.0696  0.0098 -4.2440 3 1175.7723D52 -59516140484 282 0    83 281 0      C-13-H3C(O)CH3
  827325.0696  0.0098 -5.4982 3 1175.7723D52 -59516140484 382 0    83 281 0      C-13-H3C(O)CH3
  827337.9206  0.0084 -6.0630 3  175.5463440  595161404271413 0    261116 0      C-13-H3C(O)CH3
  827490.0254  0.8153 -5.3339 3 1118.3560A32  595161404643925 2    634024 2      C-13-H3C(O)CH3
  827771.1142  0.0210 -4.2383 3  406.3557632  595161404392515 0    382216 0      C-13-H3C(O)CH3
  827842.8805  0.0214 -4.2380 3  406.3348632  595161404392515 1    382216 1      C-13-H3C(O)CH3
  827868.4283  0.0430 -5.0325 3 1088.5661B28  595161404701952 0    691851 0      C-13-H3C(O)CH3
  827868.4283  0.0430 -4.3491 3 1088.5661B28  595161404701852 0    691851 0      C-13-H3C(O)CH3
  827868.4283  0.0430 -4.3491 3 1088.5661B28  595161404701952 0    691951 0      C-13-H3C(O)CH3
  827868.4283  0.0430 -5.0325 3 1088.5661B28  595161404701852 0    691951 0      C-13-H3C(O)CH3
  827905.4300  0.0431 -4.2734 3 1088.5723B28  595161404701852 1    691951 1      C-13-H3C(O)CH3
  827905.4300  0.0431 -4.2734 3 1088.5723B28  595161404701952 1    691851 1      C-13-H3C(O)CH3
  827906.3040  0.0437 -5.3482 3 1088.5725B28  595161404701852 2    691851 2      C-13-H3C(O)CH3
  827906.3040  0.0437 -5.3482 3 1088.5725B28  595161404701952 2    691951 2      C-13-H3C(O)CH3
  827906.3040  0.0437 -4.3049 3 1088.5725B28  595161404701852 2    691951 2      C-13-H3C(O)CH3
  827906.3040  0.0437 -4.3049 3 1088.5725B28  595161404701952 2    691851 2      C-13-H3C(O)CH3
  827943.3449  0.0435 -4.8204 3 1088.5787564  595161404701952 3    691951 3      C-13-H3C(O)CH3
  827943.3449  0.0435 -4.8204 3 1088.5787564  595161404701852 3    691851 3      C-13-H3C(O)CH3
  827943.3449  0.0435 -4.9245 3 1088.5787564  595161404701852 3    691951 3      C-13-H3C(O)CH3
  827943.3449  0.0435 -4.9245 3 1088.5787564  595161404701952 3    691851 3      C-13-H3C(O)CH3
  827943.4111  0.0435 -4.5732 3 1088.5787564  595161404701952 4    691851 4      C-13-H3C(O)CH3
  827943.4111  0.0435 -4.5732 3 1088.5787564  595161404701852 4    691951 4      C-13-H3C(O)CH3
  827964.0617  0.0819 -5.0703 3  581.2676372  595161404463115 4    453016 4      C-13-H3C(O)CH3
  828304.1857  0.0249 -4.2419 3  406.3195632  595161404392515 2    382216 2      C-13-H3C(O)CH3
  828339.3092  0.0242 -4.5436 3  406.2988316  595161404392515 4    382216 4      C-13-H3C(O)CH3
  828366.9630  0.0305 -4.6262 3 1158.0933C56 -595161404781069 0    77 968 0      C-13-H3C(O)CH3
  828366.9630  0.0305 -4.5191 3 1158.0933C56 -595161404781069 0    771068 0      C-13-H3C(O)CH3
  828366.9630  0.0305 -4.6262 3 1158.0933C56 -59516140478 969 0    771068 0      C-13-H3C(O)CH3
  828367.7679  0.0305 -4.5191 3 1158.0933C56  59516140478 969 0    77 968 0      C-13-H3C(O)CH3
  828387.2064  0.0059 -3.2636 3  557.6640680 -5951614044240 3 0    4139 2 0      C-13-H3C(O)CH3
  828387.2064  0.0059 -3.2636 3  557.6640680 -5951614044240 2 0    4139 3 0      C-13-H3C(O)CH3
  828390.9704  0.0489 -4.6124 3 1158.0709C56  595161404781069 2    771068 2      C-13-H3C(O)CH3
  828390.9704  0.0489 -4.6124 3 1158.0709C56  59516140478 969 2    77 968 2      C-13-H3C(O)CH3
  828390.9704  0.0489 -4.5300 3 1158.0709C56  59516140478 969 2    771068 2      C-13-H3C(O)CH3
  828390.9704  0.0489 -4.5300 3 1158.0709C56  595161404781069 2    77 968 2      C-13-H3C(O)CH3
  828391.0623  0.0511 -4.8141 3 1158.0711C56  59516140478 969 1    77 968 1      C-13-H3C(O)CH3
  828391.0623  0.0511 -4.8141 3 1158.0711C56  595161404781069 1    771068 1      C-13-H3C(O)CH3
  828391.0623  0.0511 -4.4137 3 1158.0711C56  595161404781069 1    77 968 1      C-13-H3C(O)CH3
  828391.0623  0.0511 -4.4137 3 1158.0711C56  59516140478 969 1    771068 1      C-13-H3C(O)CH3
  828399.0985  0.0275 -4.5416 3  406.2986316  595161404392515 3    382216 3      C-13-H3C(O)CH3
  828414.2824  0.0327 -5.9563 3 1158.0486628  595161404781069 3    77 968 3      C-13-H3C(O)CH3
  828414.2824  0.0327 -4.5874 3 1158.0486628  59516140478 969 3    77 968 3      C-13-H3C(O)CH3
  828414.2824  0.0327 -5.9563 3 1158.0486628  59516140478 969 3    771068 3      C-13-H3C(O)CH3
  828414.2824  0.0327 -4.5874 3 1158.0486628  595161404781069 3    771068 3      C-13-H3C(O)CH3
  828414.3018  0.0327 -5.2306 3 1158.0486628  59516140478 969 4    771068 4      C-13-H3C(O)CH3
  828414.3018  0.0327 -5.2306 3 1158.0486628  595161404781069 4    77 968 4      C-13-H3C(O)CH3
  828414.3018  0.0327 -4.6760 3 1158.0486628  595161404781069 4    771068 4      C-13-H3C(O)CH3
  828414.3018  0.0327 -4.6760 3 1158.0486628  59516140478 969 4    77 968 4      C-13-H3C(O)CH3
  828459.2854  0.6223 -5.3307 3 1118.3270A32  595161404643925 0    634024 0      C-13-H3C(O)CH3
  828518.7295  0.0062 -3.2634 3  557.6198680 -5951614044240 3 2    4139 3 2      C-13-H3C(O)CH3
  828526.5391  0.0106 -4.6019 3 1180.0886684  59516140485 184 3    84 283 3      C-13-H3C(O)CH3
  828526.5391  0.0106 -5.2704 3 1180.0886684  59516140485 184 3    84 183 3      C-13-H3C(O)CH3
  828526.5391  0.0106 -5.3494 3 1180.0886684  59516140485 284 3    84 283 3      C-13-H3C(O)CH3
  828526.5391  0.0106 -4.5866 3 1180.0886684  59516140485 284 3    84 183 3      C-13-H3C(O)CH3
  828526.5601  0.0106 -4.6050 3 1180.0886684  59516140485 184 4    84 283 4      C-13-H3C(O)CH3
  828526.5601  0.0106 -5.2561 3 1180.0886684  59516140485 284 4    84 283 4      C-13-H3C(O)CH3
  828526.5601  0.0106 -4.6050 3 1180.0886684  59516140485 284 4    84 183 4      C-13-H3C(O)CH3
  828526.5601  0.0106 -5.2561 3 1180.0886684  59516140485 184 4    84 183 4      C-13-H3C(O)CH3
  828531.8917  0.0313 -4.1625 3  572.1078372  595161404462917 3    452818 3      C-13-H3C(O)CH3
  828545.8271  0.0174 -5.1334 3 1180.0686D68  59516140485 184 2    84 283 2      C-13-H3C(O)CH3
  828545.8271  0.0174 -4.2724 3 1180.0686D68  59516140485 284 2    84 283 2      C-13-H3C(O)CH3
  828545.8271  0.0174 -5.1334 3 1180.0686D68  59516140485 284 2    84 183 2      C-13-H3C(O)CH3
  828545.8271  0.0174 -4.2724 3 1180.0686D68  59516140485 184 2    84 183 2      C-13-H3C(O)CH3
  828546.0037  0.0139 -5.6680 3 1180.0691D68  59516140485 184 1    84 283 1      C-13-H3C(O)CH3
  828546.0037  0.0139 -4.2182 3 1180.0691D68  59516140485 284 1    84 283 1      C-13-H3C(O)CH3
  828546.0037  0.0139 -4.2320 3 1180.0691D68  59516140485 184 1    84 183 1      C-13-H3C(O)CH3
  828560.0914  0.0067 -3.2634 3  557.6693680 -5951614044240 2 2    4139 2 2      C-13-H3C(O)CH3
  828565.1676  0.0104 -4.2737 3 1180.0491D68 -59516140485 184 0    84 283 0      C-13-H3C(O)CH3
  828565.1676  0.0104 -5.1239 3 1180.0491D68 -59516140485 284 0    84 283 0      C-13-H3C(O)CH3
  828565.2411  0.0104 -4.2737 3 1180.0491D68  59516140485 284 0    84 183 0      C-13-H3C(O)CH3
  828565.2411  0.0104 -5.1239 3 1180.0491D68  59516140485 184 0    84 183 0      C-13-H3C(O)CH3
  828578.5197  0.0063 -3.2634 3  557.6959680 -5951614044240 2 1    4139 2 1      C-13-H3C(O)CH3
  828599.4240  0.0264 -3.8650 3  572.1173744  595161404462917 2    452818 2      C-13-H3C(O)CH3
  828602.5999  0.0109 -3.9935 3  394.3229632  595161404392118 2    382019 2      C-13-H3C(O)CH3
  828607.3591  0.0063 -3.2633 3  557.6299680 -5951614044240 3 1    4139 3 1      C-13-H3C(O)CH3
  828615.8204  0.0084 -6.0634 3  175.5431440  595161404271513 2    261016 2      C-13-H3C(O)CH3
  828632.9924  0.0077 -3.9937 3  394.3514632  595161404392118 0    382019 0      C-13-H3C(O)CH3
  828642.3918  0.1024 -4.2576 3  785.0392872  595161404543223 0    533122 0      C-13-H3C(O)CH3
  828643.9125  0.0171 -3.8650 3  572.1290744  595161404462917 0    452818 0      C-13-H3C(O)CH3
  828646.3649  0.0121 -4.2942 3  394.2985316  595161404392118 3    382019 3      C-13-H3C(O)CH3
  828648.1642  0.0119 -4.2942 3  394.2985316  595161404392118 4    382019 4      C-13-H3C(O)CH3
  828651.8703  0.0170 -3.8648 3  572.1186744  595161404462917 1    452818 1      C-13-H3C(O)CH3
  828676.8933  0.0083 -3.9934 3  394.3271632  595161404392118 1    382019 1      C-13-H3C(O)CH3
  828690.8326  0.0247 -4.1693 3  572.1060372  595161404462917 4    452818 4      C-13-H3C(O)CH3
  828699.1806  0.0084 -6.0624 3  175.5452440  595161404271513 1    261016 1      C-13-H3C(O)CH3
  828709.4822  0.0091 -3.5642 3  557.6516340  5951614044240 2 3    4139 2 3      C-13-H3C(O)CH3
  828738.2916  0.0096 -3.5641 3  557.5857340  5951614044240 3 4    4139 3 4      C-13-H3C(O)CH3
  828751.3379  0.0100 -3.5642 3  557.7010340  5951614044240 2 4    4139 2 4      C-13-H3C(O)CH3
  828779.5893  0.0095 -3.5641 3  557.6351340  5951614044240 3 3    4139 3 3      C-13-H3C(O)CH3
  828895.2391  0.0083 -6.0624 3  175.5463440  595161404271513 0    261016 0      C-13-H3C(O)CH3
  828912.3842  0.0418 -4.4227 3 1101.5292B44  595161404711754 0    701753 0      C-13-H3C(O)CH3
  828912.3842  0.0418 -4.6089 3 1101.5292B44  595161404711854 0    701853 0      C-13-H3C(O)CH3
  828912.3842  0.0418 -4.8112 3 1101.5292B44  595161404711854 0    701753 0      C-13-H3C(O)CH3
  828912.3842  0.0418 -4.5433 3 1101.5292B44  595161404711754 0    701853 0      C-13-H3C(O)CH3
  828949.6875  0.0420 -4.2817 3 1101.5337B44  595161404711754 1    701853 1      C-13-H3C(O)CH3
  828949.6875  0.0420 -6.0206 3 1101.5337B44  595161404711754 1    701753 1      C-13-H3C(O)CH3
  828949.6875  0.0420 -6.0206 3 1101.5337B44  595161404711854 1    701853 1      C-13-H3C(O)CH3
  828949.6875  0.0420 -4.2817 3 1101.5337B44  595161404711854 1    701753 1      C-13-H3C(O)CH3
  828950.3810  0.0425 -4.3141 3 1101.5338B44  595161404711854 2    701853 2      C-13-H3C(O)CH3
  828950.3810  0.0425 -4.7245 3 1101.5338B44  595161404711754 2    701853 2      C-13-H3C(O)CH3
  828950.3810  0.0425 -4.4638 3 1101.5338B44  595161404711754 2    701753 2      C-13-H3C(O)CH3
  828950.3810  0.0425 -5.3260 3 1101.5338B44  595161404711854 2    701753 2      C-13-H3C(O)CH3
  828987.7226  0.0431 -4.6223 3 1101.5384572  595161404711854 3    701853 3      C-13-H3C(O)CH3
  828987.7226  0.0431 -4.6223 3 1101.5384572  595161404711754 3    701753 3      C-13-H3C(O)CH3
  828987.7226  0.0431 -5.5598 3 1101.5384572  595161404711754 3    701853 3      C-13-H3C(O)CH3
  828987.7226  0.0431 -5.5598 3 1101.5384572  595161404711854 3    701753 3      C-13-H3C(O)CH3
  828987.7877  0.0431 -4.5847 3 1101.5384572  595161404711854 4    701853 4      C-13-H3C(O)CH3
  828987.7877  0.0431 -4.5847 3 1101.5384572  595161404711754 4    701753 4      C-13-H3C(O)CH3
  829143.4170  0.0090 -4.9810 3  243.2901276  59516140434 925 4    33 726 4      C-13-H3C(O)CH3
  829143.4170  0.0090 -4.9487 3  243.2901276  59516140434 925 4    33 826 4      C-13-H3C(O)CH3
  829143.4170  0.0090 -4.9810 3  243.2901276  595161404341025 4    33 826 4      C-13-H3C(O)CH3
  829143.4170  0.0090 -4.9487 3  243.2901276  595161404341025 4    33 726 4      C-13-H3C(O)CH3
  829143.9134  0.0078 -4.6692 3  243.2901276  59516140434 925 3    33 826 3      C-13-H3C(O)CH3
  829143.9134  0.0078 -4.6692 3  243.2901276  595161404341025 3    33 726 3      C-13-H3C(O)CH3
  829240.7069  0.0859 -4.2575 3  785.0199872  595161404543223 1    533122 1      C-13-H3C(O)CH3
  829279.5082  0.4277 -6.0593 3 1300.0192556  595161404694228 4    684325 4      C-13-H3C(O)CH3
  829312.2761  0.4424 -6.0167 3 1388.7602B44  595161404714527 2    704624 2      C-13-H3C(O)CH3
  829313.1263  0.3210 -6.0569 3 1300.0182556  595161404694228 3    684325 3      C-13-H3C(O)CH3
  829326.4172  0.4862 -5.9721 3 1388.7697B44  595161404714527 1    704624 1      C-13-H3C(O)CH3
  829373.0860  0.1343 -4.2575 3  785.0144872  595161404543223 2    533122 2      C-13-H3C(O)CH3
  829441.5188  0.0068 -4.3635 3  243.2944552  595161404341025 2    33 726 2      C-13-H3C(O)CH3
  829441.5188  0.0068 -4.3635 3  243.2944552  59516140434 925 2    33 826 2      C-13-H3C(O)CH3
  829449.6358  0.0071 -4.3666 3  243.2953552  59516140434 925 1    33 726 1      C-13-H3C(O)CH3
  829449.6358  0.0071 -4.3715 3  243.2953552  595161404341025 1    33 826 1      C-13-H3C(O)CH3
  829449.6358  0.0071 -6.0327 3  243.2953552  595161404341025 1    33 726 1      C-13-H3C(O)CH3
  829530.2513  0.2882 -5.7578 3 1299.9949B12  595161404694228 1    684325 1      C-13-H3C(O)CH3
  829545.6150  0.0316 -4.3979 3 1166.1639C72 -59516140479 871 0    78 870 0      C-13-H3C(O)CH3
  829545.6150  0.0316 -4.8625 3 1166.1639C72 -59516140479 971 0    78 870 0      C-13-H3C(O)CH3
  829545.6150  0.0316 -4.3979 3 1166.1639C72 -59516140479 971 0    78 970 0      C-13-H3C(O)CH3
  829545.6150  0.0316 -4.8625 3 1166.1639C72 -59516140479 871 0    78 970 0      C-13-H3C(O)CH3
  829564.9767  0.0517 -5.5420 3 1166.1374C72  59516140479 971 2    78 970 2      C-13-H3C(O)CH3
  829564.9767  0.0517 -5.5420 3 1166.1374C72  59516140479 871 2    78 870 2      C-13-H3C(O)CH3
  829564.9767  0.0517 -4.2935 3 1166.1374C72  59516140479 871 2    78 970 2      C-13-H3C(O)CH3
  829564.9767  0.0517 -4.2935 3 1166.1374C72  59516140479 971 2    78 870 2      C-13-H3C(O)CH3
  829565.0022  0.0537 -4.4663 3 1166.1376C72  59516140479 971 1    78 970 1      C-13-H3C(O)CH3
  829565.0022  0.0537 -4.4663 3 1166.1376C72  59516140479 871 1    78 870 1      C-13-H3C(O)CH3
  829565.0022  0.0537 -4.7086 3 1166.1376C72  59516140479 971 1    78 870 1      C-13-H3C(O)CH3
  829565.0022  0.0537 -4.7086 3 1166.1376C72  59516140479 871 1    78 970 1      C-13-H3C(O)CH3
  829582.5513  0.0314 -4.5931 3 1166.1111636  59516140479 971 3    78 870 3      C-13-H3C(O)CH3
  829582.5513  0.0314 -5.5309 3 1166.1111636  59516140479 871 3    78 870 3      C-13-H3C(O)CH3
  829582.5513  0.0314 -4.6211 3 1166.1111636  59516140479 871 3    78 970 3      C-13-H3C(O)CH3
  829582.5513  0.0314 -5.8683 3 1166.1111636  59516140479 971 3    78 970 3      C-13-H3C(O)CH3
  829582.5567  0.0314 -5.1106 3 1166.1110636  59516140479 971 4    78 970 4      C-13-H3C(O)CH3
  829582.5567  0.0314 -4.7185 3 1166.1110636  59516140479 871 4    78 970 4      C-13-H3C(O)CH3
  829582.5567  0.0314 -5.1106 3 1166.1110636  59516140479 871 4    78 870 4      C-13-H3C(O)CH3
  829582.5567  0.0314 -4.7185 3 1166.1110636  59516140479 971 4    78 870 4      C-13-H3C(O)CH3
  829610.1595  0.4787 -5.9277 3 1388.7279B44  595161404714527 0    704624 0      C-13-H3C(O)CH3
  829667.6215  0.3638 -5.7574 3 1299.9893B12  595161404694228 2    684325 2      C-13-H3C(O)CH3
  829746.6903  0.0067 -4.4006 3  243.2996552  595161404341025 0    33 826 0      C-13-H3C(O)CH3
  829746.6903  0.0067 -5.4295 3  243.2996552  595161404341025 0    33 726 0      C-13-H3C(O)CH3
  829746.6903  0.0067 -5.4295 3  243.2996552  59516140434 925 0    33 826 0      C-13-H3C(O)CH3
  829746.6903  0.0067 -4.4006 3  243.2996552  59516140434 925 0    33 726 0      C-13-H3C(O)CH3
  829795.5268  0.0178 -5.2523 3 1183.9016692 -59516140486 086 3    85 185 3      C-13-H3C(O)CH3
  829795.5268  0.0178 -4.5326 3 1183.9016692 -59516140486 086 4    85 085 4      C-13-H3C(O)CH3
  829795.5268  0.0178 -4.5999 3 1183.9016692 -59516140486 186 3    85 185 3      C-13-H3C(O)CH3
  829795.5268  0.0178 -5.8600 3 1183.9016692 -59516140486 186 4    85 085 4      C-13-H3C(O)CH3
  829795.8050  0.0178 -5.8600 3 1183.9016692  59516140486 086 4    85 185 4      C-13-H3C(O)CH3
  829795.8050  0.0178 -4.5326 3 1183.9016692  59516140486 186 4    85 185 4      C-13-H3C(O)CH3
  829795.8263  0.0178 -4.5999 3 1183.9016692  59516140486 086 3    85 085 3      C-13-H3C(O)CH3
  829795.8263  0.0178 -5.2523 3 1183.9016692  59516140486 186 3    85 085 3      C-13-H3C(O)CH3
  829798.3560  0.0228 -4.6256 3 1183.8396D84 -59516140486 186 1    85 185 1      C-13-H3C(O)CH3
  829798.3560  0.0301 -4.2117 3 1183.8394D84 -59516140486 086 2    85 085 2      C-13-H3C(O)CH3
  829798.3560  0.0301 -4.2117 3 1183.8394D84 -59516140486 186 2    85 185 2      C-13-H3C(O)CH3
  829798.3560  0.0228 -4.4228 3 1183.8396D84 -59516140486 186 1    85 085 1      C-13-H3C(O)CH3
  829798.3560  0.0228 -4.4228 3 1183.8396D84 -59516140486 086 1    85 185 1      C-13-H3C(O)CH3
  829798.3560  0.0228 -4.6256 3 1183.8396D84 -59516140486 086 1    85 085 1      C-13-H3C(O)CH3
  829800.8265  0.0192 -4.3449 3 1183.7775D84 -59516140486 186 0    85 185 0      C-13-H3C(O)CH3
  829800.8265  0.0192 -4.3449 3 1183.7775D84 -59516140486 086 0    85 085 0      C-13-H3C(O)CH3
  829800.8582  0.0192 -4.7884 3 1183.7775D84  59516140486 086 0    85 185 0      C-13-H3C(O)CH3
  829800.8582  0.0192 -4.7884 3 1183.7775D84  59516140486 186 0    85 085 0      C-13-H3C(O)CH3
  829900.1864  0.2560 -5.7581 3 1299.9657B12  595161404694228 0    684325 0      C-13-H3C(O)CH3
  829938.2263  0.0330 -4.2491 3  955.0683984  595161404612833 0    602932 0      C-13-H3C(O)CH3
  829938.2479  0.0330 -4.2491 3  955.0683984  595161404612933 0    602832 0      C-13-H3C(O)CH3
  829940.6944  0.0076 -4.0020 3  366.6359616  595161404381919 2    371820 2      C-13-H3C(O)CH3
  829943.4831  0.0063 -4.0022 3  366.6645616  595161404381919 0    371820 0      C-13-H3C(O)CH3
  829965.8116  0.1147 -4.5584 3  784.9951436  595161404543223 4    533122 4      C-13-H3C(O)CH3
  829969.9709  0.0083 -4.3028 3  366.6105308  595161404381919 3    371820 3      C-13-H3C(O)CH3
  829970.1019  0.0084 -4.3028 3  366.6105308  595161404381919 4    371820 4      C-13-H3C(O)CH3
  829972.6312  0.0068 -4.0020 3  366.6391616  595161404381919 1    371820 1      C-13-H3C(O)CH3
  829977.6187  0.0400 -4.4287 3 1113.9454B60  595161404721656 0    711655 0      C-13-H3C(O)CH3
  829977.6187  0.0400 -4.3250 3 1113.9454B60  595161404721656 0    711755 0      C-13-H3C(O)CH3
  829977.6187  0.0400 -5.2872 3 1113.9454B60  595161404721756 0    711755 0      C-13-H3C(O)CH3
  829977.6187  0.0400 -4.8178 3 1113.9454B60  595161404721756 0    711655 0      C-13-H3C(O)CH3
  829978.8173  0.0336 -4.2492 3  955.0782984  595161404612833 1    602932 1      C-13-H3C(O)CH3
  829978.8434  0.0336 -4.2492 3  955.0782984  595161404612933 1    602832 1      C-13-H3C(O)CH3
  829982.4484  0.0358 -4.2491 3  955.0791984  595161404612833 2    602932 2      C-13-H3C(O)CH3
  829982.4726  0.0358 -4.2491 3  955.0791984  595161404612933 2    602832 2      C-13-H3C(O)CH3
  829985.3718  0.1172 -4.5583 3  784.9948436  595161404543223 3    533122 3      C-13-H3C(O)CH3
  830015.0766  0.0407 -5.4502 3 1113.9480B60  595161404721756 1    711655 1      C-13-H3C(O)CH3
  830015.0766  0.0407 -4.2810 3 1113.9480B60  595161404721656 1    711655 1      C-13-H3C(O)CH3
  830015.0766  0.0407 -4.3104 3 1113.9480B60  595161404721756 1    711755 1      C-13-H3C(O)CH3
  830015.5890  0.0410 -4.2805 3 1113.9480B60  595161404721756 2    711655 2      C-13-H3C(O)CH3
  830015.5890  0.0410 -4.2805 3 1113.9480B60  595161404721656 2    711755 2      C-13-H3C(O)CH3
  830023.0973  0.0360 -4.5502 3  955.0890492  595161404612833 3    602932 3      C-13-H3C(O)CH3
  830023.1265  0.0360 -4.5502 3  955.0890492  595161404612933 3    602832 3      C-13-H3C(O)CH3
  830023.1775  0.0361 -4.5502 3  955.0890492  595161404612833 4    602932 4      C-13-H3C(O)CH3
  830023.2065  0.0361 -4.5502 3  955.0890492  595161404612933 4    602832 4      C-13-H3C(O)CH3
  830036.2409  0.0063 -4.0021 3  366.6644616  595161404382019 0    371720 0      C-13-H3C(O)CH3
  830037.3138  0.0075 -4.0020 3  366.6358616  595161404382019 2    371720 2      C-13-H3C(O)CH3
  830053.0841  0.0424 -4.9403 3 1113.9506580  595161404721756 3    711655 3      C-13-H3C(O)CH3
  830053.0841  0.0424 -4.8307 3 1113.9506580  595161404721756 3    711755 3      C-13-H3C(O)CH3
  830053.0841  0.0424 -4.8307 3 1113.9506580  595161404721656 3    711655 3      C-13-H3C(O)CH3
  830053.0841  0.0424 -4.9403 3 1113.9506580  595161404721656 3    711755 3      C-13-H3C(O)CH3
  830053.1476  0.0424 -5.9975 3 1113.9506580  595161404721756 4    711755 4      C-13-H3C(O)CH3
  830053.1476  0.0424 -4.5980 3 1113.9506580  595161404721756 4    711655 4      C-13-H3C(O)CH3
  830053.1476  0.0424 -5.7093 3 1113.9506580  595161404721656 4    711655 4      C-13-H3C(O)CH3
  830053.1476  0.0424 -4.6147 3 1113.9506580  595161404721656 4    711755 4      C-13-H3C(O)CH3
  830066.2493  0.0068 -4.0019 3  366.6391616  595161404382019 1    371720 1      C-13-H3C(O)CH3
  830067.4235  0.0082 -4.3027 3  366.6104308  595161404382019 4    371720 4      C-13-H3C(O)CH3
  830067.5150  0.0082 -4.3027 3  366.6104308  595161404382019 3    371720 3      C-13-H3C(O)CH3
  830085.1441  0.0357 -4.2492 3  973.8680A00  595161404622735 0    612834 0      C-13-H3C(O)CH3
  830085.1444  0.0357 -4.2492 3  973.8680A00  595161404622835 0    612734 0      C-13-H3C(O)CH3
  830123.0245  0.0363 -4.2493 3  973.8787A00  595161404622735 1    612834 1      C-13-H3C(O)CH3
  830123.0249  0.0363 -4.2493 3  973.8787A00  595161404622835 1    612734 1      C-13-H3C(O)CH3
  830125.9128  0.0382 -4.2493 3  973.8796A00  595161404622735 2    612834 2      C-13-H3C(O)CH3
  830125.9132  0.0382 -4.2493 3  973.8796A00  595161404622835 2    612734 2      C-13-H3C(O)CH3
  830163.8442  0.0380 -4.5503 3  973.8904500  595161404622735 3    612834 3      C-13-H3C(O)CH3
  830163.8448  0.0380 -4.5503 3  973.8904500  595161404622835 3    612734 3      C-13-H3C(O)CH3
  830163.9187  0.0380 -4.5503 3  973.8904500  595161404622735 4    612834 4      C-13-H3C(O)CH3
  830163.9193  0.0380 -4.5503 3  973.8904500  595161404622835 4    612734 4      C-13-H3C(O)CH3
  830189.9009  0.0303 -4.2532 3  935.5919968  595161404602931 0    593030 0      C-13-H3C(O)CH3
  830190.9279  0.0303 -4.2532 3  935.5919968  595161404603031 0    592930 0      C-13-H3C(O)CH3
  830223.8292  0.0052 -3.3219 3  562.1263696 -5951614044338 6 0    4237 5 0      C-13-H3C(O)CH3
  830223.8292  0.0052 -3.3219 3  562.1263696 -5951614044338 5 0    4237 6 0      C-13-H3C(O)CH3
  830234.7166  0.0310 -4.2533 3  935.6005968  595161404602931 1    593030 1      C-13-H3C(O)CH3
  830235.8816  0.0310 -4.2533 3  935.6004968  595161404603031 1    592930 1      C-13-H3C(O)CH3
  830239.6201  0.0334 -4.2533 3  935.6014968  595161404602931 2    593030 2      C-13-H3C(O)CH3
  830240.7435  0.0333 -4.2533 3  935.6013968  595161404603031 2    592930 2      C-13-H3C(O)CH3
  830284.5015  0.0340 -4.5544 3  935.6100484  595161404602931 3    593030 3      C-13-H3C(O)CH3
  830284.5946  0.0340 -4.5544 3  935.6100484  595161404602931 4    593030 4      C-13-H3C(O)CH3
  830285.7754  0.0339 -4.5544 3  935.6099484  595161404603031 3    592930 3      C-13-H3C(O)CH3
  830285.8624  0.0339 -4.5544 3  935.6099484  595161404603031 4    592930 4      C-13-H3C(O)CH3
  830318.6149  0.0055 -3.3219 3  562.1017696 -5951614044338 6 2    4237 6 2      C-13-H3C(O)CH3
  830331.0594  0.0058 -3.3219 3  562.1290696 -5951614044338 5 2    4237 5 2      C-13-H3C(O)CH3
  830385.1340  0.0055 -3.3218 3  562.0935696 -5951614044338 6 1    4237 6 1      C-13-H3C(O)CH3
  830387.6467  0.0057 -3.3218 3  562.1415696 -5951614044338 5 1    4237 5 1      C-13-H3C(O)CH3
  830474.4438  0.0957 -4.6621 3  872.4148460  595161404573225 3    563324 3      C-13-H3C(O)CH3
  830479.9488  0.0081 -3.6227 3  562.0689348  5951614044338 6 4    4237 6 4      C-13-H3C(O)CH3
  830481.8295  0.0073 -3.9926 3  394.3484632  595161404392218 0    381919 0      C-13-H3C(O)CH3
  830481.9563  0.0078 -3.6228 3  562.1171348  5951614044338 5 3    4237 5 3      C-13-H3C(O)CH3
  830483.3251  0.0930 -4.6622 3  872.4146460  595161404573225 4    563324 4      C-13-H3C(O)CH3
  830490.0078  0.0383 -4.2521 3  992.0272A16  595161404632737 0    622636 0      C-13-H3C(O)CH3
  830490.0078  0.0383 -4.2521 3  992.0272A16  595161404632637 0    622736 0      C-13-H3C(O)CH3
  830491.7077  0.0080 -3.6227 3  562.0963348  5951614044338 6 3    4237 6 3      C-13-H3C(O)CH3
  830494.2210  0.0081 -3.6227 3  562.1442348  5951614044338 5 4    4237 5 4      C-13-H3C(O)CH3
  830506.6698  0.0089 -3.9925 3  394.3198632  595161404392218 2    381919 2      C-13-H3C(O)CH3
  830520.2584  0.0136 -5.0629 3  208.1135268  59516140433 727 4    32 428 4      C-13-H3C(O)CH3
  830520.2584  0.0136 -5.0629 3  208.1135268  59516140433 627 4    32 528 4      C-13-H3C(O)CH3
  830520.2584  0.0136 -5.6184 3  208.1135268  59516140433 727 4    32 528 4      C-13-H3C(O)CH3
  830520.2584  0.0136 -5.6184 3  208.1135268  59516140433 627 4    32 428 4      C-13-H3C(O)CH3
  830520.5362  0.0119 -5.6435 3  208.1135268  59516140433 627 3    32 428 3      C-13-H3C(O)CH3
  830520.5362  0.0119 -5.6435 3  208.1135268  59516140433 727 3    32 528 3      C-13-H3C(O)CH3
  830520.5362  0.0119 -5.0561 3  208.1135268  59516140433 627 3    32 528 3      C-13-H3C(O)CH3
  830520.5362  0.0119 -5.0561 3  208.1135268  59516140433 727 3    32 428 3      C-13-H3C(O)CH3
  830526.1331  0.0389 -4.2522 3  992.0385A16  595161404632737 1    622636 1      C-13-H3C(O)CH3
  830526.1331  0.0389 -4.2522 3  992.0385A16  595161404632637 1    622736 1      C-13-H3C(O)CH3
  830528.5578  0.0405 -4.2523 3  992.0394A16  595161404632737 2    622636 2      C-13-H3C(O)CH3
  830528.5578  0.0405 -4.2523 3  992.0394A16  595161404632637 2    622736 2      C-13-H3C(O)CH3
  830537.3379  0.0077 -3.9924 3  394.3241632  595161404392218 1    381919 1      C-13-H3C(O)CH3
  830561.8817  0.0096 -4.2932 3  394.2953316  595161404392218 4    381919 4      C-13-H3C(O)CH3
  830562.7953  0.0095 -4.2932 3  394.2954316  595161404392218 3    381919 3      C-13-H3C(O)CH3
  830564.7300  0.0398 -4.5532 3  992.0507508  595161404632637 3    622736 3      C-13-H3C(O)CH3
  830564.7300  0.0398 -4.5532 3  992.0507508  595161404632737 3    622636 3      C-13-H3C(O)CH3
  830564.8009  0.0399 -4.5532 3  992.0507508  595161404632637 4    622736 4      C-13-H3C(O)CH3
  830564.8010  0.0399 -4.5532 3  992.0507508  595161404632737 4    622636 4      C-13-H3C(O)CH3
  830623.0953  0.0758 -4.3599 3  872.4118920  595161404573225 1    563324 1      C-13-H3C(O)CH3
  830641.5559  0.1061 -4.3599 3  872.4114920  595161404573225 2    563324 2      C-13-H3C(O)CH3
  830691.0699  0.0189 -6.0699 3  222.2825472  5951614042921 9 1    281612 1      C-13-H3C(O)CH3
  830739.6669  0.0318 -4.2708 3 1173.7007C88  59516140480 773 0    79 772 0      C-13-H3C(O)CH3
  830739.6669  0.0318 -4.2708 3 1173.7007C88  59516140480 873 0    79 872 0      C-13-H3C(O)CH3
  830750.3515  0.0538 -5.4827 3 1173.6708C88  59516140480 873 1    79 772 1      C-13-H3C(O)CH3
  830750.3515  0.0538 -4.2980 3 1173.6708C88  59516140480 873 1    79 872 1      C-13-H3C(O)CH3
  830750.3515  0.0538 -4.2980 3 1173.6708C88  59516140480 773 1    79 772 1      C-13-H3C(O)CH3
  830750.3515  0.0538 -5.4827 3 1173.6708C88  59516140480 773 1    79 872 1      C-13-H3C(O)CH3
  830750.4107  0.0521 -4.2922 3 1173.6707C88  59516140480 773 2    79 872 2      C-13-H3C(O)CH3
  830750.4107  0.0521 -5.5823 3 1173.6707C88  59516140480 873 2    79 872 2      C-13-H3C(O)CH3
  830750.4107  0.0521 -4.2922 3 1173.6707C88  59516140480 873 2    79 772 2      C-13-H3C(O)CH3
  830750.4107  0.0521 -5.5823 3 1173.6707C88  59516140480 773 2    79 772 2      C-13-H3C(O)CH3
  830761.0973  0.0297 -4.9463 3 1173.6408644  59516140480 773 4    79 872 4      C-13-H3C(O)CH3
  830761.0973  0.0297 -4.8094 3 1173.6408644  59516140480 773 4    79 772 4      C-13-H3C(O)CH3
  830761.0973  0.0297 -4.9463 3 1173.6408644  59516140480 873 4    79 772 4      C-13-H3C(O)CH3
  830761.0973  0.0297 -4.8094 3 1173.6408644  59516140480 873 4    79 872 4      C-13-H3C(O)CH3
  830761.1073  0.0296 -6.0778 3 1173.6408644  59516140480 873 3    79 872 3      C-13-H3C(O)CH3
  830761.1073  0.0296 -4.5852 3 1173.6408644  59516140480 873 3    79 772 3      C-13-H3C(O)CH3
  830761.1073  0.0296 -6.0778 3 1173.6408644  59516140480 773 3    79 772 3      C-13-H3C(O)CH3
  830761.1073  0.0296 -4.5852 3 1173.6408644  59516140480 773 3    79 872 3      C-13-H3C(O)CH3
  830780.4517  0.0817 -4.3586 3  872.4086920  595161404573225 0    563324 0      C-13-H3C(O)CH3
  831019.5154  0.0106 -4.6763 3  208.0955536  59516140433 727 2    32 528 2      C-13-H3C(O)CH3
  831019.5154  0.0106 -4.6763 3  208.0955536  59516140433 627 2    32 428 2      C-13-H3C(O)CH3
  831019.5154  0.0106 -5.9637 3  208.0955536  59516140433 727 2    32 428 2      C-13-H3C(O)CH3
  831019.5154  0.0106 -5.9637 3  208.0955536  59516140433 627 2    32 528 2      C-13-H3C(O)CH3
  831024.6542  0.0115 -5.8158 3  208.0961536  59516140433 627 1    32 428 1      C-13-H3C(O)CH3
  831024.6542  0.0115 -4.6856 3  208.0961536  59516140433 627 1    32 528 1      C-13-H3C(O)CH3
  831024.6542  0.0115 -5.8158 3  208.0961536  59516140433 727 1    32 528 1      C-13-H3C(O)CH3
  831024.6542  0.0115 -4.6856 3  208.0961536  59516140433 727 1    32 428 1      C-13-H3C(O)CH3
  831061.5065  0.0379 -5.4777 3 1125.8173B76  595161404731658 0    721657 0      C-13-H3C(O)CH3
  831061.5065  0.0379 -4.2968 3 1125.8173B76  595161404731558 0    721557 0      C-13-H3C(O)CH3
  831061.5065  0.0379 -4.2895 3 1125.8173B76  595161404731558 0    721657 0      C-13-H3C(O)CH3
  831070.8632  0.0407 -4.4753 3 1009.5708A32  595161404642639 0    632538 0      C-13-H3C(O)CH3
  831070.8632  0.0407 -4.6597 3 1009.5708A32  595161404642539 0    632538 0      C-13-H3C(O)CH3
  831070.8632  0.0407 -4.6597 3 1009.5708A32  595161404642639 0    632638 0      C-13-H3C(O)CH3
  831070.8632  0.0407 -4.4753 3 1009.5708A32  595161404642539 0    632638 0      C-13-H3C(O)CH3
  831092.7125  0.0277 -4.2643 3  915.3816952  595161404593029 0    583128 0      C-13-H3C(O)CH3
  831098.8695  0.0394 -4.2895 3 1125.8176B76  595161404731558 1    721657 1      C-13-H3C(O)CH3
  831098.8695  0.0394 -4.2895 3 1125.8176B76  595161404731658 1    721557 1      C-13-H3C(O)CH3
  831099.2067  0.0395 -4.4476 3 1125.8175B76  595161404731558 2    721657 2      C-13-H3C(O)CH3
  831099.2067  0.0395 -4.7932 3 1125.8175B76  595161404731558 2    721557 2      C-13-H3C(O)CH3
  831099.2067  0.0395 -4.7932 3 1125.8175B76  595161404731658 2    721657 2      C-13-H3C(O)CH3
  831099.2067  0.0395 -4.4476 3 1125.8175B76  595161404731658 2    721557 2      C-13-H3C(O)CH3
  831105.8878  0.0413 -4.2705 3 1009.5824A32  595161404642539 1    632638 1      C-13-H3C(O)CH3
  831105.8878  0.0413 -4.4655 3 1009.5824A32  595161404642639 1    632638 1      C-13-H3C(O)CH3
  831105.8878  0.0413 -4.6604 3 1009.5824A32  595161404642639 1    632538 1      C-13-H3C(O)CH3
  831105.8878  0.0413 -5.7003 3 1009.5824A32  595161404642539 1    632538 1      C-13-H3C(O)CH3
  831108.0054  0.0427 -5.3685 3 1009.5832A32  595161404642539 2    632538 2      C-13-H3C(O)CH3
  831108.0054  0.0427 -4.2947 3 1009.5832A32  595161404642639 2    632638 2      C-13-H3C(O)CH3
  831108.0054  0.0427 -5.4274 3 1009.5832A32  595161404642639 2    632538 2      C-13-H3C(O)CH3
  831108.0054  0.0427 -4.2998 3 1009.5832A32  595161404642539 2    632638 2      C-13-H3C(O)CH3
  831129.7874  0.0275 -4.2642 3  915.3807952  595161404593129 0    583028 0      C-13-H3C(O)CH3
  831136.6055  0.0414 -5.0656 3 1125.8178588  595161404731658 3    721557 3      C-13-H3C(O)CH3
  831136.6055  0.0414 -4.7622 3 1125.8178588  595161404731658 3    721657 3      C-13-H3C(O)CH3
  831136.6055  0.0414 -4.7622 3 1125.8178588  595161404731558 3    721557 3      C-13-H3C(O)CH3
  831136.6055  0.0414 -5.0656 3 1125.8178588  595161404731558 3    721657 3      C-13-H3C(O)CH3
  831136.6669  0.0414 -5.4168 3 1125.8178588  595161404731558 4    721657 4      C-13-H3C(O)CH3
  831136.6669  0.0414 -6.0586 3 1125.8178588  595161404731658 4    721557 4      C-13-H3C(O)CH3
  831136.6669  0.0414 -4.6564 3 1125.8178588  595161404731658 4    721657 4      C-13-H3C(O)CH3
  831136.6669  0.0414 -4.6018 3 1125.8178588  595161404731558 4    721557 4      C-13-H3C(O)CH3
  831143.0743  0.0415 -5.0058 3 1009.5948516  595161404642539 3    632638 3      C-13-H3C(O)CH3
  831143.0743  0.0415 -4.7555 3 1009.5948516  595161404642539 3    632538 3      C-13-H3C(O)CH3
  831143.0743  0.0415 -4.9949 3 1009.5948516  595161404642639 3    632538 3      C-13-H3C(O)CH3
  831143.0743  0.0415 -4.7493 3 1009.5948516  595161404642639 3    632638 3      C-13-H3C(O)CH3
  831143.1430  0.0416 -4.5612 3 1009.5948516  595161404642539 4    632638 4      C-13-H3C(O)CH3
  831143.1430  0.0416 -4.5615 3 1009.5948516  595161404642639 4    632538 4      C-13-H3C(O)CH3
  831143.3949  0.0285 -4.2644 3  915.3883952  595161404593029 1    583128 1      C-13-H3C(O)CH3
  831150.8494  0.0310 -4.2644 3  915.3890952  595161404593029 2    583128 2      C-13-H3C(O)CH3
  831172.3448  0.0206 -5.4277 3  295.2554268  595161404332410 3    322112 3      C-13-H3C(O)CH3
  831174.7774  0.0214 -5.5675 3  172.3120260  59516140432 429 3    31 230 3      C-13-H3C(O)CH3
  831174.7774  0.0214 -5.5675 3  172.3120260  59516140432 329 3    31 130 3      C-13-H3C(O)CH3
  831175.3043  0.0233 -5.6861 3  172.3120260  59516140432 429 4    31 130 4      C-13-H3C(O)CH3
  831175.3043  0.0233 -5.6861 3  172.3120260  59516140432 329 4    31 230 4      C-13-H3C(O)CH3
  831183.6998  0.0282 -4.2644 3  915.3872952  595161404593129 1    583028 1      C-13-H3C(O)CH3
  831190.5472  0.0304 -4.2644 3  915.3880952  595161404593129 2    583028 2      C-13-H3C(O)CH3
  831201.5247  0.0320 -4.5656 3  915.3957476  595161404593029 3    583128 3      C-13-H3C(O)CH3
  831201.6930  0.0319 -4.5656 3  915.3957476  595161404593029 4    583128 4      C-13-H3C(O)CH3
  831205.0377  0.0146 -5.1658 3  295.2764536  595161404332410 1    322112 1      C-13-H3C(O)CH3
  831244.6763  0.0312 -4.5655 3  915.3946476  595161404593129 3    583028 3      C-13-H3C(O)CH3
  831244.7298  0.0312 -4.5655 3  915.3946476  595161404593129 4    583028 4      C-13-H3C(O)CH3
  831280.7108  0.0231 -5.5759 3  295.2557268  595161404332410 4    322112 4      C-13-H3C(O)CH3
  831389.0450  0.0204 -5.3096 3  295.2557268  5951614043324 9 4    322112 4      C-13-H3C(O)CH3
  831427.3143  0.0141 -5.0824 3  295.2764536  5951614043324 9 1    322112 1      C-13-H3C(O)CH3
  831475.2109  0.0626 -5.9193 3  586.4737744  595161404463215 2    453114 2      C-13-H3C(O)CH3
  831512.9300  0.0231 -5.4181 3  295.2554268  5951614043324 9 3    322112 3      C-13-H3C(O)CH3
  831522.6129  0.0101 -4.7513 3  208.0782536  59516140433 727 0    32 528 0      C-13-H3C(O)CH3
  831522.6129  0.0101 -5.3501 3  208.0782536  59516140433 627 0    32 528 0      C-13-H3C(O)CH3
  831522.6129  0.0101 -4.7513 3  208.0782536  59516140433 627 0    32 428 0      C-13-H3C(O)CH3
  831522.6129  0.0101 -5.3501 3  208.0782536  59516140433 727 0    32 428 0      C-13-H3C(O)CH3
  831579.2982  0.0197 -6.0403 3  222.2689472  5951614042921 9 2    281612 2      C-13-H3C(O)CH3
  831580.2277  0.0169 -5.2589 3  295.2779536  595161404332410 2    322112 2      C-13-H3C(O)CH3
  831636.7795  0.0112 -4.8233 3  295.2985536  5951614043324 9 0    322112 0      C-13-H3C(O)CH3
  831705.4054  0.0194 -5.0213 3  295.2779536  5951614043324 9 2    322112 2      C-13-H3C(O)CH3
  831765.2111  0.0095 -5.8796 3  599.2191760  595161404473018 1    462918 1      C-13-H3C(O)CH3
  831772.2216  0.0449 -5.6481 3  586.4561744  595161404463215 1    453114 1      C-13-H3C(O)CH3
  831776.7365  0.0430 -4.6648 3 1026.5162A48  595161404652541 0    642440 0      C-13-H3C(O)CH3
  831776.7365  0.0430 -4.4817 3 1026.5162A48  595161404652541 0    642540 0      C-13-H3C(O)CH3
  831776.7365  0.0430 -4.6648 3 1026.5162A48  595161404652441 0    642540 0      C-13-H3C(O)CH3
  831776.7365  0.0430 -4.4817 3 1026.5162A48  595161404652441 0    642440 0      C-13-H3C(O)CH3
  831785.5980  0.0051 -3.3927 3  568.2710712 -5951614044436 8 0    4335 9 0      C-13-H3C(O)CH3
  831785.5980  0.0051 -3.3927 3  568.2710712 -5951614044436 9 0    4335 8 0      C-13-H3C(O)CH3
  831801.1065  0.0091 -5.5513 3  599.2191760  595161404473018 2    462918 2      C-13-H3C(O)CH3
  831811.1433  0.0435 -4.2678 3 1026.5278A48  595161404652441 1    642440 1      C-13-H3C(O)CH3
  831811.1433  0.0435 -4.2678 3 1026.5278A48  595161404652541 1    642540 1      C-13-H3C(O)CH3
  831813.0414  0.0447 -4.3098 3 1026.5286A48  595161404652541 2    642540 2      C-13-H3C(O)CH3
  831813.0414  0.0447 -5.2504 3 1026.5286A48  595161404652541 2    642440 2      C-13-H3C(O)CH3
  831813.0414  0.0447 -5.2504 3 1026.5286A48  595161404652441 2    642540 2      C-13-H3C(O)CH3
  831813.0414  0.0447 -4.3098 3 1026.5286A48  595161404652441 2    642440 2      C-13-H3C(O)CH3
  831847.4907  0.0430 -4.5650 3 1026.5402524  595161404652541 3    642440 3      C-13-H3C(O)CH3
  831847.4907  0.0430 -4.5650 3 1026.5402524  595161404652441 3    642540 3      C-13-H3C(O)CH3
  831847.5579  0.0431 -4.6884 3 1026.5403524  595161404652441 4    642540 4      C-13-H3C(O)CH3
  831847.5579  0.0431 -4.7951 3 1026.5403524  595161404652541 4    642440 4      C-13-H3C(O)CH3
  831847.5579  0.0431 -5.1667 3 1026.5403524  595161404652441 4    642440 4      C-13-H3C(O)CH3
  831847.5579  0.0431 -4.9478 3 1026.5403524  595161404652541 4    642540 4      C-13-H3C(O)CH3
  831856.9293  0.0056 -3.3928 3  568.2838712 -5951614044436 8 2    4335 8 2      C-13-H3C(O)CH3
  831868.9593  0.0109 -5.4079 3  599.2106380  595161404473018 4    462918 4      C-13-H3C(O)CH3
  831885.8841  0.0056 -3.3928 3  568.2639712 -5951614044436 9 2    4335 9 2      C-13-H3C(O)CH3
  831898.2638  0.0155 -5.8339 3  222.2852472  5951614042921 9 0    281612 0      C-13-H3C(O)CH3
  831912.2675  0.0056 -3.3927 3  568.2464712 -5951614044436 9 1    4335 9 1      C-13-H3C(O)CH3
  831919.5408  0.0058 -3.3926 3  568.2803712 -5951614044436 8 1    4335 8 1      C-13-H3C(O)CH3
  831944.1887  0.0304 -4.5286 3 1180.7040D04  59516140481 775 0    80 674 0      C-13-H3C(O)CH3
  831944.1887  0.0304 -5.0268 3 1180.7040D04  59516140481 775 0    80 774 0      C-13-H3C(O)CH3
  831944.1887  0.0304 -4.6193 3 1180.7040D04  59516140481 675 0    80 674 0      C-13-H3C(O)CH3
  831944.1887  0.0304 -4.3543 3 1180.7040D04  59516140481 675 0    80 774 0      C-13-H3C(O)CH3
  831947.0094  0.0504 -4.6516 3 1180.6717D04  59516140481 675 1    80 774 1      C-13-H3C(O)CH3
  831947.0094  0.0504 -4.5039 3 1180.6717D04  59516140481 775 1    80 774 1      C-13-H3C(O)CH3
  831947.0094  0.0504 -4.6516 3 1180.6717D04  59516140481 775 1    80 674 1      C-13-H3C(O)CH3
  831947.0094  0.0504 -4.5039 3 1180.6717D04  59516140481 675 1    80 674 1      C-13-H3C(O)CH3
  831947.1459  0.0492 -4.3268 3 1180.6716D04  59516140481 775 2    80 774 2      C-13-H3C(O)CH3
  831947.1459  0.0492 -5.1859 3 1180.6716D04  59516140481 775 2    80 674 2      C-13-H3C(O)CH3
  831947.1459  0.0492 -5.1859 3 1180.6716D04  59516140481 675 2    80 774 2      C-13-H3C(O)CH3
  831947.1459  0.0492 -4.3268 3 1180.6716D04  59516140481 675 2    80 674 2      C-13-H3C(O)CH3
  831949.9515  0.0271 -5.0623 3 1180.6392652  59516140481 775 4    80 674 4      C-13-H3C(O)CH3
  831949.9515  0.0271 -4.7408 3 1180.6392652  59516140481 675 4    80 674 4      C-13-H3C(O)CH3
  831949.9515  0.0271 -5.0623 3 1180.6392652  59516140481 675 4    80 774 4      C-13-H3C(O)CH3
  831949.9515  0.0271 -4.7408 3 1180.6392652  59516140481 775 4    80 774 4      C-13-H3C(O)CH3
  831949.9770  0.0271 -4.5835 3 1180.6392652  59516140481 775 3    80 774 3      C-13-H3C(O)CH3
  831949.9770  0.0271 -4.5835 3 1180.6392652  59516140481 675 3    80 674 3      C-13-H3C(O)CH3
  831951.6298  0.0266 -5.2859 3  172.2584520  59516140432 329 2    31 130 2      C-13-H3C(O)CH3
  831951.6298  0.0266 -5.2957 3  172.2584520  59516140432 429 2    31 230 2      C-13-H3C(O)CH3
  831953.5362  0.0279 -6.1017 3  172.2588520  59516140432 429 1    31 230 1      C-13-H3C(O)CH3
  831953.5362  0.0279 -6.1017 3  172.2588520  59516140432 329 1    31 130 1      C-13-H3C(O)CH3
  831953.5362  0.0279 -5.3334 3  172.2588520  59516140432 329 1    31 230 1      C-13-H3C(O)CH3
  831953.5362  0.0279 -5.3334 3  172.2588520  59516140432 429 1    31 130 1      C-13-H3C(O)CH3
  831983.7014  0.0075 -3.6938 3  568.2592356  5951614044436 9 3    4335 9 3      C-13-H3C(O)CH3
  831990.4182  0.0081 -3.6938 3  568.2931356  5951614044436 8 4    4335 8 4      C-13-H3C(O)CH3
  832013.2420  0.0076 -3.6937 3  568.2391356  5951614044436 9 4    4335 9 4      C-13-H3C(O)CH3
  832020.0104  0.0075 -3.6937 3  568.2733356  5951614044436 8 3    4335 8 3      C-13-H3C(O)CH3
  832162.1180  0.0356 -4.6901 3 1137.1472B92  595161404741460 0    731459 0      C-13-H3C(O)CH3
  832162.1180  0.0356 -4.5125 3 1137.1472B92  595161404741460 0    731559 0      C-13-H3C(O)CH3
  832162.1180  0.0356 -4.5125 3 1137.1472B92  595161404741560 0    731459 0      C-13-H3C(O)CH3
  832162.1180  0.0356 -4.6901 3 1137.1472B92  595161404741560 0    731559 0      C-13-H3C(O)CH3
  832199.0196  0.0388 -4.3300 3 1137.1448B92  595161404741560 1    731559 1      C-13-H3C(O)CH3
  832199.0196  0.0388 -5.3604 3 1137.1448B92  595161404741560 1    731459 1      C-13-H3C(O)CH3
  832199.0196  0.0388 -4.3300 3 1137.1448B92  595161404741460 1    731459 1      C-13-H3C(O)CH3
  832199.0196  0.0388 -5.3604 3 1137.1448B92  595161404741460 1    731559 1      C-13-H3C(O)CH3
  832199.1958  0.0385 -4.2946 3 1137.1447B92  595161404741460 2    731459 2      C-13-H3C(O)CH3
  832199.1958  0.0385 -4.2946 3 1137.1447B92  595161404741560 2    731559 2      C-13-H3C(O)CH3
  832236.1311  0.0403 -4.7792 3 1137.1422596  595161404741460 3    731459 3      C-13-H3C(O)CH3
  832236.1311  0.0403 -5.0485 3 1137.1422596  595161404741460 3    731559 3      C-13-H3C(O)CH3
  832236.1311  0.0403 -4.7792 3 1137.1422596  595161404741560 3    731559 3      C-13-H3C(O)CH3
  832236.1311  0.0403 -5.0485 3 1137.1422596  595161404741560 3    731459 3      C-13-H3C(O)CH3
  832236.1896  0.0403 -4.6294 3 1137.1421596  595161404741460 4    731459 4      C-13-H3C(O)CH3
  832236.1896  0.0403 -5.6785 3 1137.1421596  595161404741460 4    731559 4      C-13-H3C(O)CH3
  832236.1896  0.0403 -5.6785 3 1137.1421596  595161404741560 4    731459 4      C-13-H3C(O)CH3
  832236.1896  0.0403 -4.6294 3 1137.1421596  595161404741560 4    731559 4      C-13-H3C(O)CH3
  832435.4543  0.0108 -4.0185 3  421.9916648  595161404402417 0    392118 0      C-13-H3C(O)CH3
  832500.3008  0.0059 -3.6070 3  586.4416744 -595161404463215 0    453114 0      C-13-H3C(O)CH3
  832526.6425  0.0103 -4.0183 3  421.9688648  595161404402417 1    392118 1      C-13-H3C(O)CH3
  832535.8964  0.0753 -5.0901 3  586.4589372  595161404463215 3    453114 3      C-13-H3C(O)CH3
  832574.3407  0.0448 -4.2697 3 1042.8764A64  595161404662443 0    652442 0      C-13-H3C(O)CH3
  832574.3407  0.0448 -4.2697 3 1042.8764A64  595161404662343 0    652342 0      C-13-H3C(O)CH3
  832580.8694  0.0097 -4.0188 3  421.9621648  595161404402417 2    392118 2      C-13-H3C(O)CH3
  832608.5020  0.0453 -4.2719 3 1042.8879A64  595161404662343 1    652342 1      C-13-H3C(O)CH3
  832608.5020  0.0453 -4.2719 3 1042.8879A64  595161404662443 1    652442 1      C-13-H3C(O)CH3
  832610.2264  0.0464 -4.2694 3 1042.8886A64  595161404662343 2    652342 2      C-13-H3C(O)CH3
  832610.2264  0.0464 -4.2694 3 1042.8886A64  595161404662443 2    652442 2      C-13-H3C(O)CH3
  832644.4291  0.0443 -5.2769 3 1042.9001532  595161404662343 3    652342 3      C-13-H3C(O)CH3
  832644.4291  0.0443 -4.6655 3 1042.9001532  595161404662343 3    652442 3      C-13-H3C(O)CH3
  832644.4291  0.0443 -5.2769 3 1042.9001532  595161404662443 3    652442 3      C-13-H3C(O)CH3
  832644.4291  0.0443 -4.6655 3 1042.9001532  595161404662443 3    652342 3      C-13-H3C(O)CH3
  832644.4953  0.0444 -4.5749 3 1042.9001532  595161404662343 4    652442 4      C-13-H3C(O)CH3
  832644.4953  0.0444 -4.5749 3 1042.9001532  595161404662443 4    652342 4      C-13-H3C(O)CH3
  832666.7855  0.0085 -4.3195 3  421.9392324  595161404402417 4    392118 4      C-13-H3C(O)CH3
  832675.3628  0.0089 -4.3195 3  421.9392324  595161404402417 3    392118 3      C-13-H3C(O)CH3
  832682.0236  0.0059 -3.6068 3  586.4374744  595161404463214 0    453115 0      C-13-H3C(O)CH3
  832713.2702  0.0063 -3.6090 3  586.4737744 -595161404463214 2    453114 2      C-13-H3C(O)CH3
  832716.8463  0.0062 -3.6109 3  586.4561744 -595161404463214 1    453114 1      C-13-H3C(O)CH3
  832720.1167  0.0071 -3.6107 3  586.4245744 -595161404463215 1    453115 1      C-13-H3C(O)CH3
  832728.5857  0.0254 -5.2643 3  172.2053520  59516140432 329 0    31 130 0      C-13-H3C(O)CH3
  832728.5857  0.0254 -5.2643 3  172.2053520  59516140432 429 0    31 230 0      C-13-H3C(O)CH3
  832776.1876  0.0069 -3.6085 3  586.4303744 -595161404463215 2    453115 2      C-13-H3C(O)CH3
  832806.5903  0.0049 -3.4824 3  576.2740728 -595161404453411 0    443312 0      C-13-H3C(O)CH3
  832806.5903  0.0049 -3.4824 3  576.2740728 -595161404453412 0    443311 0      C-13-H3C(O)CH3
  832833.7555  0.0092 -3.9373 3  586.4589372  595161404463214 3    453114 3      C-13-H3C(O)CH3
  832837.3317  0.0277 -4.2891 3  894.3455936  595161404583127 0    573226 0      C-13-H3C(O)CH3
  832844.3063  0.0083 -3.9086 3  586.4899372  595161404463214 4    453114 4      C-13-H3C(O)CH3
  832878.5795  0.0286 -4.2894 3  894.3497936  595161404583127 1    573226 1      C-13-H3C(O)CH3
  832881.1635  0.0053 -3.4826 3  576.3009728  595161404453411 2    443311 2      C-13-H3C(O)CH3
  832892.5141  0.0337 -4.2894 3  894.3500936  595161404583127 2    573226 2      C-13-H3C(O)CH3
  832900.8473  0.0090 -3.9078 3  586.4153372  595161404463215 4    453115 4      C-13-H3C(O)CH3
  832911.4545  0.0089 -3.9369 3  586.4464372  595161404463215 3    453115 3      C-13-H3C(O)CH3
  832924.5240  0.0060 -3.4824 3  576.2577728 -595161404453412 1    443312 1      C-13-H3C(O)CH3
  832924.5240  0.0055 -3.4824 3  576.2858728 -595161404453411 1    443311 1      C-13-H3C(O)CH3
  832932.5944  0.0346 -4.5907 3  894.3541468  595161404583127 3    573226 3      C-13-H3C(O)CH3
  832933.5788  0.0343 -4.5907 3  894.3541468  595161404583127 4    573226 4      C-13-H3C(O)CH3
  832941.7086  0.0057 -3.4823 3  576.2738728 -595161404453412 2    443312 2      C-13-H3C(O)CH3
  832999.5287  0.0072 -3.7836 3  576.3127364  595161404453411 4    443311 4      C-13-H3C(O)CH3
  832999.6930  0.0073 -3.7836 3  576.2845364  595161404453412 3    443312 3      C-13-H3C(O)CH3
  833060.2076  0.0080 -3.7833 3  576.2574364  595161404453412 4    443312 4      C-13-H3C(O)CH3
  833060.5080  0.0072 -3.7833 3  576.2857364  595161404453411 3    443311 3      C-13-H3C(O)CH3
  833130.0446  0.0068 -4.4128 3  305.3767292  595161404361422 4    351323 4      C-13-H3C(O)CH3
  833130.0486  0.0068 -4.4128 3  305.3767292  595161404361522 4    351223 4      C-13-H3C(O)CH3
  833130.4097  0.0065 -4.4128 3  305.3767292  595161404361422 3    351323 3      C-13-H3C(O)CH3
  833130.4137  0.0065 -4.4128 3  305.3767292  595161404361522 3    351223 3      C-13-H3C(O)CH3
  833149.4022  0.0236 -4.6700 3 1187.1078660  59516140482 577 4    81 676 4      C-13-H3C(O)CH3
  833149.4022  0.0236 -4.6700 3 1187.1078660  59516140482 677 4    81 576 4      C-13-H3C(O)CH3
  833149.4022  0.0236 -5.2606 3 1187.1078660  59516140482 577 4    81 576 4      C-13-H3C(O)CH3
  833149.4022  0.0236 -5.2606 3 1187.1078660  59516140482 677 4    81 676 4      C-13-H3C(O)CH3
  833149.4401  0.0236 -4.5825 3 1187.1078660  59516140482 677 3    81 676 3      C-13-H3C(O)CH3
  833149.4401  0.0236 -4.5825 3 1187.1078660  59516140482 577 3    81 576 3      C-13-H3C(O)CH3
  833154.8912  0.0428 -4.4127 3 1187.1408D20  59516140482 677 1    81 676 1      C-13-H3C(O)CH3
  833154.8912  0.0428 -4.8219 3 1187.1408D20  59516140482 677 1    81 576 1      C-13-H3C(O)CH3
  833154.8912  0.0428 -4.8219 3 1187.1408D20  59516140482 577 1    81 676 1      C-13-H3C(O)CH3
  833154.8912  0.0428 -4.4127 3 1187.1408D20  59516140482 577 1    81 576 1      C-13-H3C(O)CH3
  833155.0657  0.0422 -4.2716 3 1187.1407D20  59516140482 577 2    81 576 2      C-13-H3C(O)CH3
  833155.0657  0.0422 -4.2716 3 1187.1407D20  59516140482 677 2    81 676 2      C-13-H3C(O)CH3
  833160.5253  0.0266 -4.2800 3 1187.1737D20  59516140482 677 0    81 576 0      C-13-H3C(O)CH3
  833160.5253  0.0266 -4.2800 3 1187.1737D20  59516140482 577 0    81 676 0      C-13-H3C(O)CH3
  833160.5253  0.0266 -5.9051 3 1187.1737D20  59516140482 577 0    81 576 0      C-13-H3C(O)CH3
  833160.5253  0.0266 -5.9051 3 1187.1737D20  59516140482 677 0    81 676 0      C-13-H3C(O)CH3
  833209.3136  0.0766 -5.0896 3  586.4464372  595161404463214 3    453115 3      C-13-H3C(O)CH3
  833211.6120  0.0062 -4.1119 3  305.3990584  595161404361422 2    351323 2      C-13-H3C(O)CH3
  833211.6159  0.0062 -4.1119 3  305.3990584  595161404361522 2    351223 2      C-13-H3C(O)CH3
  833221.9861  0.0226 -4.4153 3  386.9856616  595161404382514 1    372215 1      C-13-H3C(O)CH3
  833225.1716  0.0063 -4.1119 3  305.4007584  595161404361422 1    351323 1      C-13-H3C(O)CH3
  833225.1752  0.0063 -4.1119 3  305.4007584  595161404361522 1    351223 1      C-13-H3C(O)CH3
  833258.5773  0.0220 -4.4152 3  387.0042616  595161404382514 0    372215 0      C-13-H3C(O)CH3
  833278.0562  0.0334 -4.3011 3 1147.9370C08  595161404751462 0    741361 0      C-13-H3C(O)CH3
  833278.0562  0.0334 -4.3011 3 1147.9370C08  595161404751362 0    741461 0      C-13-H3C(O)CH3
  833306.2630  0.0057 -4.1118 3  305.4230584  595161404361422 0    351323 0      C-13-H3C(O)CH3
  833306.2665  0.0057 -4.1118 3  305.4230584  595161404361522 0    351223 0      C-13-H3C(O)CH3
  833313.9973  0.0394 -4.9119 3 1147.9314C08  595161404751362 1    741461 1      C-13-H3C(O)CH3
  833313.9973  0.0394 -4.4166 3 1147.9314C08  595161404751362 1    741361 1      C-13-H3C(O)CH3
  833313.9973  0.0394 -4.9119 3 1147.9314C08  595161404751462 1    741361 1      C-13-H3C(O)CH3
  833313.9973  0.0394 -4.4166 3 1147.9314C08  595161404751462 1    741461 1      C-13-H3C(O)CH3
  833314.0362  0.0385 -4.2976 3 1147.9312C08  595161404751362 2    741361 2      C-13-H3C(O)CH3
  833314.0362  0.0385 -4.2976 3 1147.9312C08  595161404751462 2    741461 2      C-13-H3C(O)CH3
  833350.0085  0.0392 -4.7118 3 1147.9256604  595161404751362 3    741461 3      C-13-H3C(O)CH3
  833350.0085  0.0392 -5.2315 3 1147.9256604  595161404751362 3    741361 3      C-13-H3C(O)CH3
  833350.0085  0.0392 -4.7118 3 1147.9256604  595161404751462 3    741361 3      C-13-H3C(O)CH3
  833350.0085  0.0392 -5.2315 3 1147.9256604  595161404751462 3    741461 3      C-13-H3C(O)CH3
  833350.0630  0.0392 -5.1755 3 1147.9256604  595161404751462 4    741361 4      C-13-H3C(O)CH3
  833350.0630  0.0392 -4.7303 3 1147.9256604  595161404751462 4    741461 4      C-13-H3C(O)CH3
  833350.0630  0.0392 -5.1755 3 1147.9256604  595161404751362 4    741461 4      C-13-H3C(O)CH3
  833350.0630  0.0392 -4.7303 3 1147.9256604  595161404751362 4    741361 4      C-13-H3C(O)CH3
  833441.1297  0.0463 -4.8781 3 1058.6613A80  595161404672345 0    662344 0      C-13-H3C(O)CH3
  833441.1297  0.0463 -4.4017 3 1058.6613A80  595161404672345 0    662244 0      C-13-H3C(O)CH3
  833441.1297  0.0463 -4.4017 3 1058.6613A80  595161404672245 0    662344 0      C-13-H3C(O)CH3
  833441.1297  0.0463 -4.8781 3 1058.6613A80  595161404672245 0    662244 0      C-13-H3C(O)CH3
  833475.3367  0.0467 -5.9532 3 1058.6725A80  595161404672345 1    662244 1      C-13-H3C(O)CH3
  833475.3367  0.0467 -4.2858 3 1058.6725A80  595161404672345 1    662344 1      C-13-H3C(O)CH3
  833475.3367  0.0467 -4.2858 3 1058.6725A80  595161404672245 1    662244 1      C-13-H3C(O)CH3
  833475.3367  0.0467 -5.9532 3 1058.6725A80  595161404672245 1    662344 1      C-13-H3C(O)CH3
  833476.9076  0.0476 -4.9256 3 1058.6731A80  595161404672345 2    662344 2      C-13-H3C(O)CH3
  833476.9076  0.0476 -4.3869 3 1058.6731A80  595161404672245 2    662344 2      C-13-H3C(O)CH3
  833476.9076  0.0476 -4.3869 3 1058.6731A80  595161404672345 2    662244 2      C-13-H3C(O)CH3
  833476.9076  0.0476 -4.9256 3 1058.6731A80  595161404672245 2    662244 2      C-13-H3C(O)CH3
  833511.1551  0.0454 -4.6082 3 1058.6843540  595161404672245 3    662244 3      C-13-H3C(O)CH3
  833511.1551  0.0454 -5.7455 3 1058.6843540  595161404672245 3    662344 3      C-13-H3C(O)CH3
  833511.1551  0.0454 -4.6082 3 1058.6843540  595161404672345 3    662344 3      C-13-H3C(O)CH3
  833511.1551  0.0454 -5.7455 3 1058.6843540  595161404672345 3    662244 3      C-13-H3C(O)CH3
  833511.2206  0.0454 -4.5777 3 1058.6843540  595161404672245 4    662244 4      C-13-H3C(O)CH3
  833511.2206  0.0454 -4.5777 3 1058.6843540  595161404672345 4    662344 4      C-13-H3C(O)CH3
  833563.3220  0.0177 -4.1126 3  425.8750648  595161404402516 0    392217 0      C-13-H3C(O)CH3
  833570.6068  0.0184 -5.6036 3  253.9557244  5951614043025 5 4    2922 7 4      C-13-H3C(O)CH3
  833664.8409  0.0466 -5.6465 3  586.4245744  595161404463214 1    453115 1      C-13-H3C(O)CH3
  833666.5166  0.0157 -5.6002 3  253.9377244  5951614043025 6 3    2922 7 3      C-13-H3C(O)CH3
  833687.4405  0.0170 -4.1125 3  425.8529648  595161404402516 1    392217 1      C-13-H3C(O)CH3
  833716.6633  0.0279 -4.7319 3  386.9496308  595161404382514 4    372215 4      C-13-H3C(O)CH3
  833728.5802  0.0233 -5.9866 3  236.6865244  595161404302110 4    291613 4      C-13-H3C(O)CH3
  833746.2087  0.5474 -6.0151 3 1430.8965B60  595161404724627 0    714724 0      C-13-H3C(O)CH3
  833800.8711  0.0271 -4.2879 3  894.3212936  595161404583227 0    573126 0      C-13-H3C(O)CH3
  833810.0569  0.0268 -4.4255 3  386.9681616  595161404382514 2    372215 2      C-13-H3C(O)CH3
  833816.1780  0.0310 -4.7204 3  386.9495308  595161404382514 3    372215 3      C-13-H3C(O)CH3
  833872.5649  0.0168 -5.6548 3  236.7056488  595161404302110 1    291613 1      C-13-H3C(O)CH3
  833895.8535  0.0262 -4.2881 3  894.3240936  595161404583227 1    573126 1      C-13-H3C(O)CH3
  833905.5335  0.0257 -4.2881 3  894.3244936  595161404583227 2    573126 2      C-13-H3C(O)CH3
  833941.8012  0.0191 -5.9169 3  236.6862244  595161404302110 3    291613 3      C-13-H3C(O)CH3
  833948.7281  0.0147 -5.3026 3  253.9714488  5951614043025 5 1    2922 7 1      C-13-H3C(O)CH3
  833961.3669  0.0185 -4.1145 3  425.8416648  595161404402516 2    392217 2      C-13-H3C(O)CH3
  834001.4918  0.0244 -4.5894 3  894.3272468  595161404583227 4    573126 4      C-13-H3C(O)CH3
  834002.1201  0.0243 -4.5894 3  894.3272468  595161404583227 3    573126 3      C-13-H3C(O)CH3
  834014.1627  0.0652 -5.9172 3  586.4303744  595161404463214 2    453115 2      C-13-H3C(O)CH3
  834064.6465  0.0159 -5.6022 3  253.9295244  5951614043025 5 3    2922 8 3      C-13-H3C(O)CH3
  834065.0312  0.0162 -4.4155 3  425.8195324  595161404402516 4    392217 4      C-13-H3C(O)CH3
  834098.0122  0.0185 -4.4152 3  425.8193324  595161404402516 3    392217 3      C-13-H3C(O)CH3
  834159.4721  0.0170 -5.5986 3  253.9115244  5951614043025 6 4    2922 8 4      C-13-H3C(O)CH3
  834210.1093  0.0143 -5.3052 3  253.9801488  5951614043025 5 2    2922 7 2      C-13-H3C(O)CH3
  834222.4334  0.0682 -4.4229 3  603.9582380  595161404473117 4    463016 4      C-13-H3C(O)CH3
  834301.6723  0.0144 -5.3018 3  253.9621488  5951614043025 6 2    2922 8 2      C-13-H3C(O)CH3
  834360.0675  0.0190 -4.6523 3 1193.0483668  59516140483 479 4    82 578 4      C-13-H3C(O)CH3
  834360.0675  0.0190 -5.3287 3 1193.0483668  59516140483 579 4    82 578 4      C-13-H3C(O)CH3
  834360.0675  0.0190 -4.6523 3 1193.0483668  59516140483 579 4    82 478 4      C-13-H3C(O)CH3
  834360.0675  0.0190 -5.3287 3 1193.0483668  59516140483 479 4    82 478 4      C-13-H3C(O)CH3
  834360.1097  0.0190 -5.5740 3 1193.0483668  59516140483 479 3    82 578 3      C-13-H3C(O)CH3
  834360.1097  0.0190 -4.6145 3 1193.0483668  59516140483 479 3    82 478 3      C-13-H3C(O)CH3
  834360.1097  0.0190 -5.5565 3 1193.0483668  59516140483 579 3    82 478 3      C-13-H3C(O)CH3
  834360.1097  0.0190 -4.6165 3 1193.0483668  59516140483 579 3    82 578 3      C-13-H3C(O)CH3
  834361.3971  0.0473 -4.3721 3 1073.8787A96  595161404682147 0    672146 0      C-13-H3C(O)CH3
  834361.3971  0.0473 -5.0199 3 1073.8787A96  595161404682147 0    672246 0      C-13-H3C(O)CH3
  834361.3971  0.0473 -4.3721 3 1073.8787A96  595161404682247 0    672246 0      C-13-H3C(O)CH3
  834361.3971  0.0473 -5.0199 3 1073.8787A96  595161404682247 0    672146 0      C-13-H3C(O)CH3
  834373.8631  0.0312 -5.1067 3 1193.0787D36  59516140483 579 1    82 578 1      C-13-H3C(O)CH3
  834373.8631  0.0312 -4.3364 3 1193.0787D36  59516140483 479 1    82 578 1      C-13-H3C(O)CH3
  834373.8794  0.0312 -4.3364 3 1193.0787D36 -59516140483 579 1    82 478 1      C-13-H3C(O)CH3
  834373.8794  0.0312 -5.1067 3 1193.0787D36 -59516140483 479 1    82 478 1      C-13-H3C(O)CH3
  834374.0059  0.0314 -4.2684 3 1193.0785D36  59516140483 579 2    82 578 2      C-13-H3C(O)CH3
  834374.0059  0.0314 -4.2684 3 1193.0785D36  59516140483 479 2    82 478 2      C-13-H3C(O)CH3
  834387.7635  0.0207 -4.4894 3 1193.1089D36  59516140483 479 0    82 478 0      C-13-H3C(O)CH3
  834387.7635  0.0207 -4.6675 3 1193.1089D36  59516140483 579 0    82 478 0      C-13-H3C(O)CH3
  834387.7635  0.0207 -4.6675 3 1193.1089D36  59516140483 479 0    82 578 0      C-13-H3C(O)CH3
  834387.7635  0.0207 -4.4894 3 1193.1089D36  59516140483 579 0    82 578 0      C-13-H3C(O)CH3
  834388.2673  0.0072 -3.2548 3  565.6590680 -5951614044241 2 0    4140 1 0      C-13-H3C(O)CH3
  834388.2673  0.0072 -3.2548 3  565.6590680 -5951614044241 1 0    4140 2 0      C-13-H3C(O)CH3
  834395.8733  0.0477 -4.3529 3 1073.8893A96  595161404682147 1    672246 1      C-13-H3C(O)CH3
  834395.8733  0.0477 -4.3529 3 1073.8893A96  595161404682247 1    672146 1      C-13-H3C(O)CH3
  834395.8733  0.0477 -5.1178 3 1073.8893A96  595161404682247 1    672246 1      C-13-H3C(O)CH3
  834395.8733  0.0477 -5.1178 3 1073.8893A96  595161404682147 1    672146 1      C-13-H3C(O)CH3
  834397.2949  0.0485 -4.2849 3 1073.8898A96  595161404682147 2    672246 2      C-13-H3C(O)CH3
  834397.2949  0.0485 -4.2849 3 1073.8898A96  595161404682247 2    672146 2      C-13-H3C(O)CH3
  834408.3362  0.0318 -4.3794 3 1158.1882C24  595161404761364 0    751263 0      C-13-H3C(O)CH3
  834408.3362  0.0318 -5.0798 3 1158.1882C24  595161404761364 0    751363 0      C-13-H3C(O)CH3
  834408.3362  0.0318 -4.3794 3 1158.1882C24  595161404761264 0    751363 0      C-13-H3C(O)CH3
  834408.3362  0.0318 -5.0798 3 1158.1882C24  595161404761264 0    751263 0      C-13-H3C(O)CH3
  834431.8111  0.0461 -5.2031 3 1073.9004548  595161404682247 3    672246 3      C-13-H3C(O)CH3
  834431.8111  0.0461 -5.2031 3 1073.9004548  595161404682147 3    672146 3      C-13-H3C(O)CH3
  834431.8111  0.0461 -4.7048 3 1073.9004548  595161404682147 3    672246 3      C-13-H3C(O)CH3
  834431.8111  0.0461 -4.7048 3 1073.9004548  595161404682247 3    672146 3      C-13-H3C(O)CH3
  834431.8762  0.0461 -4.9940 3 1073.9004548  595161404682147 4    672246 4      C-13-H3C(O)CH3
  834431.8762  0.0461 -4.9940 3 1073.9004548  595161404682247 4    672146 4      C-13-H3C(O)CH3
  834431.8762  0.0461 -4.7997 3 1073.9004548  595161404682147 4    672146 4      C-13-H3C(O)CH3
  834431.8762  0.0461 -4.7997 3 1073.9004548  595161404682247 4    672246 4      C-13-H3C(O)CH3
  834438.1706  0.0144 -5.3011 3  253.9452488  5951614043025 6 1    2922 8 1      C-13-H3C(O)CH3
  834442.6063  0.0400 -4.6281 3 1158.1789C24  595161404761364 2    751363 2      C-13-H3C(O)CH3
  834442.6063  0.0400 -4.5764 3 1158.1789C24  595161404761264 2    751363 2      C-13-H3C(O)CH3
  834442.6063  0.0400 -4.6281 3 1158.1789C24  595161404761264 2    751263 2      C-13-H3C(O)CH3
  834442.6063  0.0400 -4.5764 3 1158.1789C24  595161404761364 2    751263 2      C-13-H3C(O)CH3
  834442.6714  0.0416 -4.3008 3 1158.1791C24  595161404761364 1    751363 1      C-13-H3C(O)CH3
  834442.6714  0.0416 -4.3008 3 1158.1791C24  595161404761264 1    751263 1      C-13-H3C(O)CH3
  834476.9698  0.0380 -5.1708 3 1158.1698612  595161404761264 3    751263 3      C-13-H3C(O)CH3
  834476.9698  0.0380 -4.7378 3 1158.1698612  595161404761364 3    751263 3      C-13-H3C(O)CH3
  834476.9698  0.0380 -4.7378 3 1158.1698612  595161404761264 3    751363 3      C-13-H3C(O)CH3
  834476.9698  0.0380 -5.1708 3 1158.1698612  595161404761364 3    751363 3      C-13-H3C(O)CH3
  834477.0189  0.0380 -4.7891 3 1158.1698612  595161404761264 4    751363 4      C-13-H3C(O)CH3
  834477.0189  0.0380 -5.0563 3 1158.1698612  595161404761264 4    751263 4      C-13-H3C(O)CH3
  834477.0189  0.0380 -5.0563 3 1158.1698612  595161404761364 4    751363 4      C-13-H3C(O)CH3
  834477.0189  0.0380 -4.7891 3 1158.1698612  595161404761364 4    751263 4      C-13-H3C(O)CH3
  834547.2129  0.0081 -3.2546 3  565.6110680 -5951614044241 2 2    4140 2 2      C-13-H3C(O)CH3
  834562.1989  0.0152 -5.5797 3  236.6951488  595161404302110 2    291613 2      C-13-H3C(O)CH3
  834577.4781  0.0079 -3.2547 3  565.7009680 -5951614044241 1 1    4140 1 1      C-13-H3C(O)CH3
  834582.9266  0.0148 -5.3051 3  253.9958488  5951614043025 6 0    2922 7 0      C-13-H3C(O)CH3
  834583.7921  0.0089 -3.2546 3  565.6711680 -5951614044241 1 2    4140 1 2      C-13-H3C(O)CH3
  834591.8148  0.0148 -5.3051 3  253.9955488  5951614043025 5 0    2922 8 0      C-13-H3C(O)CH3
  834611.5356  0.0136 -5.5553 3  236.7144488  595161404302110 0    291613 0      C-13-H3C(O)CH3
  834634.7905  0.0079 -3.2545 3  565.6296680 -5951614044241 2 1    4140 2 1      C-13-H3C(O)CH3
  834656.8666  0.6252 -5.9653 3 1388.7575B44  595161404714526 1    704625 1      C-13-H3C(O)CH3
  834734.3224  0.8283 -6.0097 3 1388.7457B44  595161404714526 2    704625 2      C-13-H3C(O)CH3
  834736.0448  0.0122 -3.5555 3  565.6528340  5951614044241 1 3    4140 1 3      C-13-H3C(O)CH3
  834773.3634  0.0134 -3.5555 3  565.7130340  5951614044241 1 4    4140 1 4      C-13-H3C(O)CH3
  834792.4694  0.0553 -4.0581 3  676.3802808  595161404503120 0    493019 0      C-13-H3C(O)CH3
  834792.6649  0.0124 -3.5553 3  565.5816340  5951614044241 2 4    4140 2 4      C-13-H3C(O)CH3
  834793.0202  0.5659 -5.8295 3 1347.2643B28  595161404704426 1    694525 1      C-13-H3C(O)CH3
  834796.2497  0.0409 -3.9181 3  603.9503760  595161404473117 2    463016 2      C-13-H3C(O)CH3
  834829.6254  0.0128 -3.5554 3  565.6417340  5951614044241 2 3    4140 2 3      C-13-H3C(O)CH3
  834913.7951  0.7452 -5.8360 3 1347.2545B28  595161404704426 2    694525 2      C-13-H3C(O)CH3
  834918.9365  0.5572 -5.9208 3 1388.7187B44  595161404714526 0    704625 0      C-13-H3C(O)CH3
  834960.5067  0.0236 -3.8367 3  603.9429760  595161404473117 1    463016 1      C-13-H3C(O)CH3
  835054.0029  0.0086 -3.7377 3  603.9420760 -595161404473117 0    463016 0      C-13-H3C(O)CH3
  835262.4176  0.5614 -5.8295 3 1347.2237B28  595161404704426 0    694525 0      C-13-H3C(O)CH3
  835302.2958  0.0468 -4.0567 3  676.3630808  595161404503120 1    493019 1      C-13-H3C(O)CH3
  835323.9583  0.0478 -5.0977 3 1088.5345B12  595161404692049 0    682148 0      C-13-H3C(O)CH3
  835323.9583  0.0478 -4.3653 3 1088.5345B12  595161404692049 0    682048 0      C-13-H3C(O)CH3
  835323.9583  0.0478 -5.0977 3 1088.5345B12  595161404692149 0    682048 0      C-13-H3C(O)CH3
  835323.9583  0.0478 -4.3653 3 1088.5345B12  595161404692149 0    682148 0      C-13-H3C(O)CH3
  835358.8648  0.0480 -4.2993 3 1088.5443B12  595161404692149 1    682048 1      C-13-H3C(O)CH3
  835358.8648  0.0480 -6.0432 3 1088.5443B12  595161404692049 1    682048 1      C-13-H3C(O)CH3
  835358.8648  0.0480 -6.0432 3 1088.5443B12  595161404692149 1    682148 1      C-13-H3C(O)CH3
  835358.8648  0.0480 -4.2993 3 1088.5443B12  595161404692049 1    682148 1      C-13-H3C(O)CH3
  835360.1315  0.0488 -4.2915 3 1088.5448B12  595161404692149 2    682048 2      C-13-H3C(O)CH3
  835360.1315  0.0488 -4.2915 3 1088.5448B12  595161404692049 2    682148 2      C-13-H3C(O)CH3
  835395.0774  0.0466 -5.7392 3 1088.5546556  595161404692149 3    682048 3      C-13-H3C(O)CH3
  835395.0774  0.0466 -4.6247 3 1088.5546556  595161404692149 3    682148 3      C-13-H3C(O)CH3
  835395.0774  0.0466 -5.7392 3 1088.5546556  595161404692049 3    682148 3      C-13-H3C(O)CH3
  835395.0774  0.0466 -4.6247 3 1088.5546556  595161404692049 3    682048 3      C-13-H3C(O)CH3
  835395.1422  0.0466 -5.9307 3 1088.5546556  595161404692149 4    682048 4      C-13-H3C(O)CH3
  835395.1422  0.0466 -4.6130 3 1088.5546556  595161404692149 4    682148 4      C-13-H3C(O)CH3
  835395.1422  0.0466 -4.6130 3 1088.5546556  595161404692049 4    682048 4      C-13-H3C(O)CH3
  835395.1422  0.0466 -5.9307 3 1088.5546556  595161404692049 4    682148 4      C-13-H3C(O)CH3
  835420.2614  0.0205 -4.0584 3  603.9427380  595161404473117 3    463016 3      C-13-H3C(O)CH3
  835485.9040  0.0222 -5.8935 3  231.1695456  5951614042826 2 1    2723 4 1      C-13-H3C(O)CH3
  835535.1455  0.0208 -5.8961 3  231.1862456  5951614042826 2 2    2723 4 2      C-13-H3C(O)CH3
  835542.7661  0.0794 -4.0562 3  676.3545808  595161404503120 2    493019 2      C-13-H3C(O)CH3
  835552.2926  0.0311 -4.3181 3 1167.9025C40  595161404771266 0    761165 0      C-13-H3C(O)CH3
  835552.2926  0.0311 -5.8065 3 1167.9025C40  595161404771166 0    761165 0      C-13-H3C(O)CH3
  835552.2926  0.0311 -5.2672 3 1167.9025C40  595161404771266 0    761265 0      C-13-H3C(O)CH3
  835552.2926  0.0311 -4.3543 3 1167.9025C40  595161404771166 0    761265 0      C-13-H3C(O)CH3
  835582.8282  0.0140 -4.8199 3 1198.4629676 -59516140484 481 3    83 480 3      C-13-H3C(O)CH3
  835582.8282  0.0140 -4.9652 3 1198.4629676 -59516140484 381 4    83 380 4      C-13-H3C(O)CH3
  835582.8282  0.0140 -4.7888 3 1198.4629676 -59516140484 481 4    83 380 4      C-13-H3C(O)CH3
  835582.8282  0.0140 -4.9223 3 1198.4629676 -59516140484 381 3    83 480 3      C-13-H3C(O)CH3
  835583.0258  0.0140 -4.7888 3 1198.4629676  59516140484 381 4    83 480 4      C-13-H3C(O)CH3
  835583.0258  0.0140 -4.9652 3 1198.4629676  59516140484 481 4    83 480 4      C-13-H3C(O)CH3
  835583.0584  0.0140 -4.9223 3 1198.4629676  59516140484 481 3    83 380 3      C-13-H3C(O)CH3
  835583.0584  0.0140 -4.8199 3 1198.4629676  59516140484 381 3    83 380 3      C-13-H3C(O)CH3
  835584.0935  0.0431 -4.5086 3 1167.8893C40  595161404771266 2    761165 2      C-13-H3C(O)CH3
  835584.0935  0.0431 -4.7297 3 1167.8893C40  595161404771266 2    761265 2      C-13-H3C(O)CH3
  835584.0935  0.0431 -4.5086 3 1167.8893C40  595161404771166 2    761265 2      C-13-H3C(O)CH3
  835584.0935  0.0431 -4.7297 3 1167.8893C40  595161404771166 2    761165 2      C-13-H3C(O)CH3
  835584.2214  0.0451 -4.3573 3 1167.8895C40  595161404771166 1    761265 1      C-13-H3C(O)CH3
  835584.2214  0.0451 -5.2429 3 1167.8895C40  595161404771166 1    761165 1      C-13-H3C(O)CH3
  835584.2214  0.0451 -5.2429 3 1167.8895C40  595161404771266 1    761265 1      C-13-H3C(O)CH3
  835584.2214  0.0451 -4.3573 3 1167.8895C40  595161404771266 1    761165 1      C-13-H3C(O)CH3
  835603.6328  0.0199 -4.5454 3 1198.4854D52 -59516140484 381 2    83 380 2      C-13-H3C(O)CH3
  835603.6328  0.0184 -5.4883 3 1198.4857D52 -59516140484 381 1    83 480 1      C-13-H3C(O)CH3
  835603.6328  0.0184 -5.4883 3 1198.4857D52 -59516140484 481 1    83 380 1      C-13-H3C(O)CH3
  835603.6328  0.0199 -4.5899 3 1198.4854D52 -59516140484 481 2    83 380 2      C-13-H3C(O)CH3
  835603.6546  0.0184 -4.2929 3 1198.4857D52  59516140484 381 1    83 380 1      C-13-H3C(O)CH3
  835603.6546  0.0184 -4.2929 3 1198.4857D52  59516140484 481 1    83 480 1      C-13-H3C(O)CH3
  835603.6840  0.0199 -4.5454 3 1198.4854D52  59516140484 481 2    83 480 2      C-13-H3C(O)CH3
  835603.6840  0.0199 -4.5899 3 1198.4854D52  59516140484 381 2    83 480 2      C-13-H3C(O)CH3
  835616.0471  0.0369 -4.7049 3 1167.8763620  595161404771166 3    761265 3      C-13-H3C(O)CH3
  835616.0471  0.0369 -5.2929 3 1167.8763620  595161404771166 3    761165 3      C-13-H3C(O)CH3
  835616.0471  0.0369 -4.7049 3 1167.8763620  595161404771266 3    761165 3      C-13-H3C(O)CH3
  835616.0471  0.0369 -5.2929 3 1167.8763620  595161404771266 3    761265 3      C-13-H3C(O)CH3
  835616.0892  0.0369 -5.1829 3 1167.8762620  595161404771266 4    761165 4      C-13-H3C(O)CH3
  835616.0892  0.0369 -5.1829 3 1167.8762620  595161404771166 4    761265 4      C-13-H3C(O)CH3
  835616.0892  0.0369 -4.7385 3 1167.8762620  595161404771166 4    761165 4      C-13-H3C(O)CH3
  835616.0892  0.0369 -4.7385 3 1167.8762620  595161404771266 4    761265 4      C-13-H3C(O)CH3
  835624.2732  0.0139 -4.2754 3 1198.5082D52  59516140484 481 0    83 480 0      C-13-H3C(O)CH3
  835624.2732  0.0139 -4.2754 3 1198.5082D52  59516140484 381 0    83 380 0      C-13-H3C(O)CH3
  835624.2732  0.0139 -5.9398 3 1198.5082D52  59516140484 481 0    83 380 0      C-13-H3C(O)CH3
  835624.2732  0.0139 -5.9398 3 1198.5082D52  59516140484 381 0    83 480 0      C-13-H3C(O)CH3
  835875.3779  0.1844 -5.8754 3 1334.3892B28  595161404704229 1    694326 1      C-13-H3C(O)CH3
  835885.1953  0.0220 -5.8922 3  231.1552456  5951614042826 3 2    2723 5 2      C-13-H3C(O)CH3
  835960.5236  0.1732 -5.8765 3 1334.3875B28  595161404704229 2    694326 2      C-13-H3C(O)CH3
  835994.2572  0.0670 -4.3572 3  676.3382404  595161404503120 4    493019 4      C-13-H3C(O)CH3
  836027.4101  0.1647 -5.8784 3 1334.3720B28  595161404704229 0    694326 0      C-13-H3C(O)CH3
  836099.9819  0.0795 -4.3546 3  676.3370404  595161404503120 3    493019 3      C-13-H3C(O)CH3
  836204.7426  0.0221 -5.8970 3  231.2084456  5951614042826 3 0    2723 4 0      C-13-H3C(O)CH3
  836204.7510  0.0221 -5.8970 3  231.2084456  5951614042826 2 0    2723 5 0      C-13-H3C(O)CH3
  836218.3768  0.0219 -5.8924 3  231.1428456  5951614042826 3 1    2723 5 1      C-13-H3C(O)CH3
  836287.4233  0.0053 -3.3095 3  569.6091696 -5951614044339 5 0    4238 4 0      C-13-H3C(O)CH3
  836287.4233  0.0053 -3.3095 3  569.6091696 -5951614044339 4 0    4238 5 0      C-13-H3C(O)CH3
  836320.7133  0.0477 -4.3208 3 1102.6339B28  595161404701951 0    691950 0      C-13-H3C(O)CH3
  836320.7133  0.0477 -5.6095 3 1102.6339B28  595161404702051 0    691950 0      C-13-H3C(O)CH3
  836320.7133  0.0477 -4.3208 3 1102.6339B28  595161404702051 0    692050 0      C-13-H3C(O)CH3
  836320.7133  0.0477 -5.6095 3 1102.6339B28  595161404701951 0    692050 0      C-13-H3C(O)CH3
  836356.1471  0.0478 -4.3013 3 1102.6426B28  595161404701951 1    692050 1      C-13-H3C(O)CH3
  836356.1471  0.0478 -4.3013 3 1102.6426B28  595161404702051 1    691950 1      C-13-H3C(O)CH3
  836357.2488  0.0485 -4.7612 3 1102.6430B28  595161404701951 2    692050 2      C-13-H3C(O)CH3
  836357.2488  0.0485 -4.4828 3 1102.6430B28  595161404701951 2    691950 2      C-13-H3C(O)CH3
  836357.2488  0.0485 -4.7612 3 1102.6430B28  595161404702051 2    691950 2      C-13-H3C(O)CH3
  836357.2488  0.0485 -4.4828 3 1102.6430B28  595161404702051 2    692050 2      C-13-H3C(O)CH3
  836391.8526  0.0055 -3.3094 3  569.5789696 -5951614044339 5 2    4238 5 2      C-13-H3C(O)CH3
  836392.7216  0.0467 -4.6035 3 1102.6517564  595161404701951 3    691950 3      C-13-H3C(O)CH3
  836392.7216  0.0467 -4.6035 3 1102.6517564  595161404702051 3    692050 3      C-13-H3C(O)CH3
  836392.7861  0.0467 -4.6544 3 1102.6517564  595161404702051 4    691950 4      C-13-H3C(O)CH3
  836392.7861  0.0467 -4.6544 3 1102.6517564  595161404701951 4    692050 4      C-13-H3C(O)CH3
  836392.7861  0.0467 -5.5296 3 1102.6517564  595161404701951 4    691950 4      C-13-H3C(O)CH3
  836392.7861  0.0467 -5.5296 3 1102.6517564  595161404702051 4    692050 4      C-13-H3C(O)CH3
  836410.8843  0.0058 -3.3094 3  569.6124696 -5951614044339 4 2    4238 4 2      C-13-H3C(O)CH3
  836456.1536  0.0057 -3.3094 3  569.6307696 -5951614044339 4 1    4238 4 1      C-13-H3C(O)CH3
  836458.4337  0.5885 -6.0117 3 1430.8922B60  595161404724626 0    714725 0      C-13-H3C(O)CH3
  836469.0689  0.0056 -3.3093 3  569.5767696 -5951614044339 5 1    4238 5 1      C-13-H3C(O)CH3
  836514.5149  0.0099 -5.7980 3  229.8857244  595161404301912 4    291415 4      C-13-H3C(O)CH3
  836522.3230  0.0094 -5.7981 3  229.8857244  595161404301912 3    291415 3      C-13-H3C(O)CH3
  836559.9870  0.0078 -3.6103 3  569.6005348  5951614044339 4 3    4238 4 3      C-13-H3C(O)CH3
  836573.3349  0.0082 -3.6102 3  569.5466348  5951614044339 5 4    4238 5 4      C-13-H3C(O)CH3
  836579.0772  0.0082 -3.6103 3  569.6339348  5951614044339 4 4    4238 4 4      C-13-H3C(O)CH3
  836582.3258  0.0098 -5.4968 3  229.9032488  595161404301912 1    291415 1      C-13-H3C(O)CH3
  836583.3764  0.0076 -4.5449 3  270.9474284  595161404351224 4    34 925 4      C-13-H3C(O)CH3
  836583.3764  0.0076 -4.5449 3  270.9474284  595161404351124 4    341025 4      C-13-H3C(O)CH3
  836583.8684  0.0069 -4.5426 3  270.9474284  595161404351124 3    341025 3      C-13-H3C(O)CH3
  836583.8684  0.0069 -4.5426 3  270.9474284  595161404351224 3    34 925 3      C-13-H3C(O)CH3
  836591.8063  0.0080 -3.6102 3  569.5800348  5951614044339 5 3    4238 5 3      C-13-H3C(O)CH3
  836640.3539  0.0098 -5.4978 3  229.8989488  595161404301912 2    291415 2      C-13-H3C(O)CH3
  836700.9078  0.0103 -5.4973 3  229.9163488  595161404301912 0    291415 0      C-13-H3C(O)CH3
  836709.5036  0.0316 -4.3667 3 1177.0809C56  595161404781068 0    771067 0      C-13-H3C(O)CH3
  836709.5036  0.0316 -5.2007 3 1177.0809C56  595161404781068 0    771167 0      C-13-H3C(O)CH3
  836709.5036  0.0316 -5.2007 3 1177.0809C56  595161404781168 0    771067 0      C-13-H3C(O)CH3
  836709.5036  0.0316 -4.3667 3 1177.0809C56  595161404781168 0    771167 0      C-13-H3C(O)CH3
  836737.9256  0.0472 -4.3091 3 1177.0636C56  595161404781168 2    771167 2      C-13-H3C(O)CH3
  836737.9256  0.0472 -4.3091 3 1177.0636C56  595161404781068 2    771067 2      C-13-H3C(O)CH3
  836738.0699  0.0496 -5.8786 3 1177.0638C56  595161404781068 1    771167 1      C-13-H3C(O)CH3
  836738.0699  0.0496 -4.3191 3 1177.0638C56  595161404781168 1    771167 1      C-13-H3C(O)CH3
  836738.0699  0.0496 -4.6597 3 1177.0638C56  595161404781068 1    771067 1      C-13-H3C(O)CH3
  836738.0699  0.0496 -4.5624 3 1177.0638C56  595161404781168 1    771067 1      C-13-H3C(O)CH3
  836766.5130  0.0358 -4.9618 3 1177.0464628  595161404781168 3    771067 3      C-13-H3C(O)CH3
  836766.5130  0.0358 -4.8625 3 1177.0464628  595161404781068 3    771067 3      C-13-H3C(O)CH3
  836766.5130  0.0358 -4.9709 3 1177.0464628  595161404781068 3    771167 3      C-13-H3C(O)CH3
  836766.5130  0.0358 -4.8554 3 1177.0464628  595161404781168 3    771167 3      C-13-H3C(O)CH3
  836766.5459  0.0359 -4.8618 3 1177.0464628  595161404781168 4    771067 4      C-13-H3C(O)CH3
  836766.5459  0.0359 -4.9626 3 1177.0464628  595161404781068 4    771067 4      C-13-H3C(O)CH3
  836766.5459  0.0359 -4.6095 3 1177.0464628  595161404781068 4    771167 4      C-13-H3C(O)CH3
  836778.1974  0.0065 -4.2412 3  270.9616568  595161404351224 2    34 925 2      C-13-H3C(O)CH3
  836778.1974  0.0065 -4.2412 3  270.9616568  595161404351124 2    341025 2      C-13-H3C(O)CH3
  836787.9971  0.0067 -4.2459 3  270.9627568  595161404351124 1    341025 1      C-13-H3C(O)CH3
  836787.9971  0.0067 -4.2427 3  270.9627568  595161404351224 1    34 925 1      C-13-H3C(O)CH3
  836820.0010  0.0105 -4.5646 3 1203.3542684  59516140485 383 4    84 382 4      C-13-H3C(O)CH3
  836820.0010  0.0105 -4.5646 3 1203.3542684  59516140485 283 4    84 282 4      C-13-H3C(O)CH3
  836820.0072  0.0105 -4.6380 3 1203.3541684  59516140485 283 3    84 382 3      C-13-H3C(O)CH3
  836820.0072  0.0105 -5.3694 3 1203.3541684  59516140485 383 3    84 382 3      C-13-H3C(O)CH3
  836820.0219  0.0105 -5.3694 3 1203.3541684 -59516140485 283 3    84 282 3      C-13-H3C(O)CH3
  836820.0219  0.0105 -4.6380 3 1203.3541684 -59516140485 383 3    84 282 3      C-13-H3C(O)CH3
  836843.6898  0.0131 -5.4102 3 1203.3617D68 -59516140485 283 1    84 282 1      C-13-H3C(O)CH3
  836843.6898  0.0131 -4.2951 3 1203.3617D68 -59516140485 383 1    84 282 1      C-13-H3C(O)CH3
  836843.6898  0.0158 -4.3500 3 1203.3613D68 -59516140485 383 2    84 382 2      C-13-H3C(O)CH3
  836843.6898  0.0158 -5.0042 3 1203.3613D68 -59516140485 383 2    84 282 2      C-13-H3C(O)CH3
  836843.6898  0.0158 -5.0042 3 1203.3613D68 -59516140485 283 2    84 382 2      C-13-H3C(O)CH3
  836843.6898  0.0158 -4.3500 3 1203.3613D68 -59516140485 283 2    84 282 2      C-13-H3C(O)CH3
  836843.6898  0.0131 -4.2951 3 1203.3617D68 -59516140485 283 1    84 382 1      C-13-H3C(O)CH3
  836843.6898  0.0131 -5.4102 3 1203.3617D68 -59516140485 383 1    84 382 1      C-13-H3C(O)CH3
  836867.3049  0.0103 -4.7558 3 1203.3689D68  59516140485 383 0    84 382 0      C-13-H3C(O)CH3
  836867.3049  0.0103 -4.7558 3 1203.3689D68  59516140485 283 0    84 282 0      C-13-H3C(O)CH3
  836867.4111  0.0103 -4.4315 3 1203.3689D68 -59516140485 283 0    84 382 0      C-13-H3C(O)CH3
  836867.4111  0.0103 -4.4315 3 1203.3689D68 -59516140485 383 0    84 282 0      C-13-H3C(O)CH3
  836879.4688  0.0119 -4.4254 3  603.9429760 -595161404473116 1    463016 1      C-13-H3C(O)CH3
  836981.9917  0.0062 -4.2440 3  270.9770568  595161404351124 0    341025 0      C-13-H3C(O)CH3
  836981.9917  0.0062 -4.2440 3  270.9770568  595161404351224 0    34 925 0      C-13-H3C(O)CH3
  836994.4545  0.0165 -4.2030 3  603.9503760  595161404473116 2    463016 2      C-13-H3C(O)CH3
  837025.4085  0.0118 -5.3573 3  603.9427380  595161404473116 3    463016 3      C-13-H3C(O)CH3
  837157.9515  0.8425 -6.0408 3 1306.4800556  595161404694326 3    684425 3      C-13-H3C(O)CH3
  837177.4104  0.7023 -6.0456 3 1306.4799556  595161404694326 4    684425 4      C-13-H3C(O)CH3
  837290.0842  0.0194 -4.2669 3  603.9582380  595161404473116 4    463016 4      C-13-H3C(O)CH3
  837345.7217  0.0470 -4.3108 3 1116.1808B44  595161404711853 0    701852 0      C-13-H3C(O)CH3
  837345.7217  0.0470 -4.3108 3 1116.1808B44  595161404711953 0    701952 0      C-13-H3C(O)CH3
  837381.7108  0.0469 -5.2525 3 1116.1882B44  595161404711853 1    701852 1      C-13-H3C(O)CH3
  837381.7108  0.0469 -4.3585 3 1116.1882B44  595161404711953 1    701852 1      C-13-H3C(O)CH3
  837381.7108  0.0469 -5.2525 3 1116.1882B44  595161404711953 1    701952 1      C-13-H3C(O)CH3
  837381.7108  0.0469 -4.3585 3 1116.1882B44  595161404711853 1    701952 1      C-13-H3C(O)CH3
  837382.6364  0.0476 -4.3066 3 1116.1885B44  595161404711853 2    701952 2      C-13-H3C(O)CH3
  837382.6364  0.0476 -4.3066 3 1116.1885B44  595161404711953 2    701852 2      C-13-H3C(O)CH3
  837418.6639  0.0464 -4.6079 3 1116.1959572  595161404711853 3    701852 3      C-13-H3C(O)CH3
  837418.6639  0.0464 -4.6079 3 1116.1959572  595161404711953 3    701952 3      C-13-H3C(O)CH3
  837418.7279  0.0465 -4.6282 3 1116.1959572  595161404711853 4    701852 4      C-13-H3C(O)CH3
  837418.7279  0.0465 -4.6282 3 1116.1959572  595161404711953 4    701952 4      C-13-H3C(O)CH3
  837418.7279  0.0465 -5.9351 3 1116.1959572  595161404711853 4    701952 4      C-13-H3C(O)CH3
  837418.7279  0.0465 -5.9351 3 1116.1959572  595161404711953 4    701852 4      C-13-H3C(O)CH3
  837437.7877  0.0095 -5.9274 3  191.7281456  595161404281513 2    271216 2      C-13-H3C(O)CH3
  837603.1317  0.0096 -5.9267 3  191.7306456  595161404281513 1    271216 1      C-13-H3C(O)CH3
  837648.6767  0.5967 -5.7419 3 1306.4482B12  595161404694326 1    684425 1      C-13-H3C(O)CH3
  837676.3709  0.0090 -5.9267 3  191.7362456  595161404281513 0    271216 0      C-13-H3C(O)CH3
  837829.8980  0.7843 -5.7368 3 1306.4405B12  595161404694326 2    684425 2      C-13-H3C(O)CH3
  837878.7553  0.0328 -4.3131 3 1185.7247C72 -59516140479 970 0    78 969 0      C-13-H3C(O)CH3
  837879.7217  0.0328 -4.3131 3 1185.7247C72  595161404791070 0    781069 0      C-13-H3C(O)CH3
  837882.2133  0.0099 -4.6647 3  324.7103568  595161404352312 1    342015 1      C-13-H3C(O)CH3
  837899.4726  0.6179 -6.1048 3 1473.7440B76  595161404734727 0    724824 0      C-13-H3C(O)CH3
  837903.7157  0.0514 -4.4336 3 1185.7031C72  59516140479 970 2    78 969 2      C-13-H3C(O)CH3
  837903.7157  0.0514 -4.9150 3 1185.7031C72  59516140479 970 2    781069 2      C-13-H3C(O)CH3
  837903.7157  0.0514 -4.9150 3 1185.7031C72  595161404791070 2    78 969 2      C-13-H3C(O)CH3
  837903.7157  0.0514 -4.4336 3 1185.7031C72  595161404791070 2    781069 2      C-13-H3C(O)CH3
  837903.8306  0.0538 -5.1095 3 1185.7032C72  595161404791070 1    78 969 1      C-13-H3C(O)CH3
  837903.8306  0.0538 -4.3847 3 1185.7032C72  59516140479 970 1    78 969 1      C-13-H3C(O)CH3
  837903.8306  0.0538 -5.1095 3 1185.7032C72  59516140479 970 1    781069 1      C-13-H3C(O)CH3
  837903.8306  0.0538 -4.3847 3 1185.7032C72  595161404791070 1    781069 1      C-13-H3C(O)CH3
  837906.5677  0.0101 -4.6653 3  324.7307568  595161404352312 0    342015 0      C-13-H3C(O)CH3
  837927.8420  0.0348 -5.5410 3 1185.6815636  59516140479 970 3    78 969 3      C-13-H3C(O)CH3
  837927.8420  0.0348 -4.6649 3 1185.6815636  59516140479 970 3    781069 3      C-13-H3C(O)CH3
  837927.8420  0.0348 -5.5410 3 1185.6815636  595161404791070 3    781069 3      C-13-H3C(O)CH3
  837927.8420  0.0348 -4.6649 3 1185.6815636  595161404791070 3    78 969 3      C-13-H3C(O)CH3
  837927.8635  0.0348 -5.1343 3 1185.6815636  59516140479 970 4    78 969 4      C-13-H3C(O)CH3
  837927.8635  0.0348 -5.1343 3 1185.6815636  595161404791070 4    781069 4      C-13-H3C(O)CH3
  837927.8635  0.0348 -4.7653 3 1185.6815636  59516140479 970 4    781069 4      C-13-H3C(O)CH3
  837927.8635  0.0348 -4.7653 3 1185.6815636  595161404791070 4    78 969 4      C-13-H3C(O)CH3
  837937.7857  0.0208 -5.5092 3  311.4613276  595161404342411 3    332113 3      C-13-H3C(O)CH3
  837943.9358  0.0127 -5.7798 3  311.4837552  595161404342411 1    332113 1      C-13-H3C(O)CH3
  837968.2310  0.0052 -3.3751 3  575.1957712 -5951614044437 7 0    4336 8 0      C-13-H3C(O)CH3
  837968.2310  0.0052 -3.3751 3  575.1957712 -5951614044437 8 0    4336 7 0      C-13-H3C(O)CH3
  838036.1120  0.0173 -5.7703 3  311.4613276  595161404342411 4    332113 4      C-13-H3C(O)CH3
  838043.7739  0.0058 -3.3752 3  575.2052712 -5951614044437 7 2    4336 7 2      C-13-H3C(O)CH3
  838058.1436  0.0110 -4.9670 3  324.6840284  595161404352312 4    342015 4      C-13-H3C(O)CH3
  838063.7048  0.0057 -3.3751 3  575.1846712 -5951614044437 8 2    4336 8 2      C-13-H3C(O)CH3
  838063.7640  0.0103 -4.9674 3  324.6841284  595161404352312 3    342015 3      C-13-H3C(O)CH3
  838073.5998  0.0112 -4.8775 3 1207.7253692  59516140486 285 3    85 284 3      C-13-H3C(O)CH3
  838073.5998  0.0112 -4.9149 3 1207.7253692  59516140486 185 3    85 184 3      C-13-H3C(O)CH3
  838073.5998  0.0112 -4.8456 3 1207.7253692  59516140486 185 3    85 284 3      C-13-H3C(O)CH3
  838073.5998  0.0112 -4.8135 3 1207.7253692  59516140486 285 3    85 184 3      C-13-H3C(O)CH3
  838073.6211  0.0112 -4.7830 3 1207.7253692  59516140486 185 4    85 284 4      C-13-H3C(O)CH3
  838073.6211  0.0112 -4.7830 3 1207.7253692  59516140486 285 4    85 184 4      C-13-H3C(O)CH3
  838073.6211  0.0112 -4.9568 3 1207.7253692  59516140486 185 4    85 184 4      C-13-H3C(O)CH3
  838073.6211  0.0112 -4.9568 3 1207.7253692  59516140486 285 4    85 284 4      C-13-H3C(O)CH3
  838089.8728  0.0106 -4.6669 3  324.7044568  595161404352312 2    342015 2      C-13-H3C(O)CH3
  838092.9465  0.0182 -4.5629 3 1207.7059D84  59516140486 285 2    85 184 2      C-13-H3C(O)CH3
  838092.9465  0.0182 -4.5574 3 1207.7059D84  59516140486 285 2    85 284 2      C-13-H3C(O)CH3
  838092.9465  0.0182 -4.5629 3 1207.7059D84  59516140486 185 2    85 284 2      C-13-H3C(O)CH3
  838092.9465  0.0182 -4.5574 3 1207.7059D84  59516140486 185 2    85 184 2      C-13-H3C(O)CH3
  838092.9758  0.0145 -4.9739 3 1207.7064D84 -59516140486 285 1    85 184 1      C-13-H3C(O)CH3
  838092.9758  0.0145 -4.3522 3 1207.7064D84 -59516140486 185 1    85 184 1      C-13-H3C(O)CH3
  838093.1308  0.0145 -4.3075 3 1207.7064D84  59516140486 285 1    85 284 1      C-13-H3C(O)CH3
  838093.1308  0.0145 -5.2359 3 1207.7064D84  59516140486 185 1    85 284 1      C-13-H3C(O)CH3
  838106.6646  0.0059 -3.3750 3  575.2075712 -5951614044437 7 1    4336 7 1      C-13-H3C(O)CH3
  838106.6646  0.0057 -3.3750 3  575.1695712 -5951614044437 8 1    4336 8 1      C-13-H3C(O)CH3
  838112.4210  0.0110 -4.4796 3 1207.6871D84 -59516140486 285 0    85 284 0      C-13-H3C(O)CH3
  838112.4210  0.0110 -4.4796 3 1207.6871D84 -59516140486 185 0    85 184 0      C-13-H3C(O)CH3
  838112.4270  0.0110 -4.6590 3 1207.6871D84  59516140486 285 0    85 184 0      C-13-H3C(O)CH3
  838112.4270  0.0110 -4.6590 3 1207.6871D84  59516140486 185 0    85 284 0      C-13-H3C(O)CH3
  838142.9907  0.0113 -4.7803 3  311.4837552  595161404342410 1    332113 1      C-13-H3C(O)CH3
  838181.7793  0.0079 -3.6761 3  575.1790356  5951614044437 8 3    4336 8 3      C-13-H3C(O)CH3
  838181.8188  0.0084 -3.6761 3  575.2170356  5951614044437 7 4    4336 7 4      C-13-H3C(O)CH3
  838202.3063  0.0079 -3.6760 3  575.1965356  5951614044437 7 3    4336 7 3      C-13-H3C(O)CH3
  838202.4747  0.0079 -3.6761 3  575.1583356  5951614044437 8 4    4336 8 4      C-13-H3C(O)CH3
  838225.6465  0.0161 -5.2894 3  311.4820552  595161404342411 2    332113 2      C-13-H3C(O)CH3
  838250.6495  0.7725 -5.4989 3 1081.3642508  595161404633825 3    623924 3      C-13-H3C(O)CH3
  838297.9539  0.0223 -5.1292 3  311.4613276  595161404342410 4    332113 4      C-13-H3C(O)CH3
  838314.9565  0.6127 -5.7365 3 1306.4089B12  595161404694326 0    684425 0      C-13-H3C(O)CH3
  838326.5763  0.0122 -4.2010 3  603.8325760 -595161404473117 2    463017 2      C-13-H3C(O)CH3
  838326.7943  0.0136 -4.2651 3  603.8213380  595161404473117 4    463017 4      C-13-H3C(O)CH3
  838328.6322  0.0100 -4.4237 3  603.8305760  595161404473117 1    463017 1      C-13-H3C(O)CH3
  838350.7052  0.7087 -5.5029 3 1081.3614508  595161404633825 4    623924 4      C-13-H3C(O)CH3
  838358.8893  0.0107 -4.7407 3  311.5043552  595161404342410 0    332113 0      C-13-H3C(O)CH3
  838394.5912  0.0456 -4.8149 3 1129.1787B60  595161404721755 0    711754 0      C-13-H3C(O)CH3
  838394.5912  0.0456 -4.4777 3 1129.1787B60  595161404721855 0    711754 0      C-13-H3C(O)CH3
  838394.5912  0.0456 -4.8149 3 1129.1787B60  595161404721855 0    711854 0      C-13-H3C(O)CH3
  838394.5912  0.0456 -4.4777 3 1129.1787B60  595161404721755 0    711854 0      C-13-H3C(O)CH3
  838399.5305  0.0223 -5.2199 3  311.4613276  595161404342410 3    332113 3      C-13-H3C(O)CH3
  838431.0855  0.0456 -5.7141 3 1129.1845B60  595161404721755 1    711854 1      C-13-H3C(O)CH3
  838431.0855  0.0456 -4.3309 3 1129.1845B60  595161404721755 1    711754 1      C-13-H3C(O)CH3
  838431.0855  0.0456 -5.7141 3 1129.1845B60  595161404721855 1    711754 1      C-13-H3C(O)CH3
  838431.0855  0.0456 -4.3309 3 1129.1845B60  595161404721855 1    711854 1      C-13-H3C(O)CH3
  838431.8262  0.0462 -4.8260 3 1129.1846B60  595161404721855 2    711754 2      C-13-H3C(O)CH3
  838431.8262  0.0462 -4.5102 3 1129.1846B60  595161404721755 2    711854 2      C-13-H3C(O)CH3
  838431.8262  0.0462 -4.4726 3 1129.1846B60  595161404721755 2    711754 2      C-13-H3C(O)CH3
  838431.8262  0.0462 -4.7516 3 1129.1846B60  595161404721855 2    711854 2      C-13-H3C(O)CH3
  838468.3581  0.0459 -4.9834 3 1129.1904580  595161404721755 3    711754 3      C-13-H3C(O)CH3
  838468.3581  0.0459 -4.8565 3 1129.1904580  595161404721855 3    711754 3      C-13-H3C(O)CH3
  838468.3581  0.0459 -4.8565 3 1129.1904580  595161404721755 3    711854 3      C-13-H3C(O)CH3
  838468.3581  0.0459 -4.9834 3 1129.1904580  595161404721855 3    711854 3      C-13-H3C(O)CH3
  838468.4214  0.0459 -4.8416 3 1129.1904580  595161404721755 4    711854 4      C-13-H3C(O)CH3
  838468.4214  0.0459 -5.0043 3 1129.1904580  595161404721755 4    711754 4      C-13-H3C(O)CH3
  838468.4214  0.0459 -5.0043 3 1129.1904580  595161404721855 4    711854 4      C-13-H3C(O)CH3
  838468.4214  0.0459 -4.8416 3 1129.1904580  595161404721855 4    711754 4      C-13-H3C(O)CH3
  838584.6868  0.0194 -4.8850 3  311.4820552  595161404342410 2    332113 2      C-13-H3C(O)CH3
  838590.6500  0.0096 -5.3548 3  603.8369380  595161404473117 3    463017 3      C-13-H3C(O)CH3
  838594.2413  0.0103 -4.8497 3  235.8167276  59516140434 826 4    33 627 4      C-13-H3C(O)CH3
  838594.2413  0.0103 -5.4260 3  235.8167276  59516140434 926 4    33 627 4      C-13-H3C(O)CH3
  838594.2413  0.0103 -4.8497 3  235.8167276  59516140434 926 4    33 727 4      C-13-H3C(O)CH3
  838594.2413  0.0103 -5.4260 3  235.8167276  59516140434 826 4    33 727 4      C-13-H3C(O)CH3
  838594.7163  0.0090 -4.9774 3  235.8167276  59516140434 826 3    33 727 3      C-13-H3C(O)CH3
  838594.7163  0.0090 -4.9774 3  235.8167276  59516140434 926 3    33 627 3      C-13-H3C(O)CH3
  838594.7163  0.0090 -5.1337 3  235.8167276  59516140434 926 3    33 727 3      C-13-H3C(O)CH3
  838594.7163  0.0090 -5.1337 3  235.8167276  59516140434 826 3    33 627 3      C-13-H3C(O)CH3
  838635.4439  0.0071 -4.3590 3  333.1670300  595161404371621 4    361522 4      C-13-H3C(O)CH3
  838635.6793  0.0071 -4.3590 3  333.1670300  595161404371721 4    361422 4      C-13-H3C(O)CH3
  838635.6886  0.0069 -4.3590 3  333.1670300  595161404371621 3    361522 3      C-13-H3C(O)CH3
  838635.9252  0.0069 -4.3590 3  333.1670300  595161404371721 3    361422 3      C-13-H3C(O)CH3
  838660.0627  0.0064 -4.0582 3  333.1920600  595161404371621 2    361522 2      C-13-H3C(O)CH3
  838660.2940  0.0064 -4.0582 3  333.1920600  595161404371721 2    361422 2      C-13-H3C(O)CH3
  838676.8657  0.0063 -4.0582 3  333.1941600  595161404371621 1    361522 1      C-13-H3C(O)CH3
  838677.0862  0.0063 -4.0582 3  333.1941600  595161404371721 1    361422 1      C-13-H3C(O)CH3
  838701.2457  0.0057 -4.0583 3  333.2191600  595161404371621 0    361522 0      C-13-H3C(O)CH3
  838701.4613  0.0057 -4.0583 3  333.2191600  595161404371721 0    361422 0      C-13-H3C(O)CH3
  838951.6760  0.0075 -5.3216 3  235.8154552  59516140434 826 2    33 727 2      C-13-H3C(O)CH3
  838951.6760  0.0075 -4.5080 3  235.8154552  59516140434 826 2    33 627 2      C-13-H3C(O)CH3
  838951.6760  0.0075 -5.3216 3  235.8154552  59516140434 926 2    33 627 2      C-13-H3C(O)CH3
  838951.6760  0.0075 -4.5080 3  235.8154552  59516140434 926 2    33 727 2      C-13-H3C(O)CH3
  838958.6175  0.0080 -4.4575 3  235.8161552  59516140434 826 1    33 727 1      C-13-H3C(O)CH3
  838958.6175  0.0080 -4.4575 3  235.8161552  59516140434 926 1    33 627 1      C-13-H3C(O)CH3
  838958.6175  0.0080 -6.0303 3  235.8161552  59516140434 826 1    33 627 1      C-13-H3C(O)CH3
  838958.6175  0.0080 -6.0303 3  235.8161552  59516140434 926 1    33 727 1      C-13-H3C(O)CH3
  839060.5536  0.0340 -4.3241 3 1193.8346C88 -59516140480 872 0    79 871 0      C-13-H3C(O)CH3
  839060.5536  0.0340 -5.8557 3 1193.8346C88 -59516140480 872 0    79 971 0      C-13-H3C(O)CH3
  839060.5536  0.0340 -5.8557 3 1193.8346C88 -59516140480 972 0    79 871 0      C-13-H3C(O)CH3
  839060.5536  0.0340 -4.3241 3 1193.8346C88 -59516140480 972 0    79 971 0      C-13-H3C(O)CH3
  839081.2157  0.0546 -4.7403 3 1193.8087C88  59516140480 872 2    79 871 2      C-13-H3C(O)CH3
  839081.2157  0.0546 -4.5139 3 1193.8087C88  59516140480 872 2    79 971 2      C-13-H3C(O)CH3
  839081.2157  0.0546 -4.5139 3 1193.8087C88  59516140480 972 2    79 871 2      C-13-H3C(O)CH3
  839081.2157  0.0546 -4.7403 3 1193.8087C88  59516140480 972 2    79 971 2      C-13-H3C(O)CH3
  839081.2632  0.0568 -4.8222 3 1193.8089C88  59516140480 872 1    79 871 1      C-13-H3C(O)CH3
  839081.2632  0.0568 -4.4717 3 1193.8089C88  59516140480 872 1    79 971 1      C-13-H3C(O)CH3
  839081.2632  0.0568 -4.4717 3 1193.8089C88  59516140480 972 1    79 871 1      C-13-H3C(O)CH3
  839081.2632  0.0568 -4.8222 3 1193.8089C88  59516140480 972 1    79 971 1      C-13-H3C(O)CH3
  839099.6910  0.0335 -4.6520 3 1193.7830644  59516140480 872 3    79 971 3      C-13-H3C(O)CH3
  839099.6910  0.0335 -6.0678 3 1193.7830644  59516140480 872 3    79 871 3      C-13-H3C(O)CH3
  839099.6910  0.0335 -5.6984 3 1193.7830644  59516140480 972 3    79 971 3      C-13-H3C(O)CH3
  839099.6910  0.0335 -4.6265 3 1193.7830644  59516140480 972 3    79 871 3      C-13-H3C(O)CH3
  839099.6988  0.0335 -4.6253 3 1193.7829644  59516140480 872 4    79 971 4      C-13-H3C(O)CH3
  839099.6988  0.0335 -4.6253 3 1193.7829644  59516140480 972 4    79 871 4      C-13-H3C(O)CH3
  839129.8590  0.0367 -4.2799 3  982.7521A00  595161404622834 0    612933 0      C-13-H3C(O)CH3
  839129.8640  0.0367 -4.2799 3  982.7521A00  595161404622934 0    612833 0      C-13-H3C(O)CH3
  839167.2883  0.0373 -4.2800 3  982.7633A00  595161404622834 1    612933 1      C-13-H3C(O)CH3
  839167.2946  0.0373 -4.2800 3  982.7633A00  595161404622934 1    612833 1      C-13-H3C(O)CH3
  839170.4575  0.0395 -4.2800 3  982.7643A00  595161404622834 2    612933 2      C-13-H3C(O)CH3
  839170.4632  0.0395 -4.2800 3  982.7643A00  595161404622934 2    612833 2      C-13-H3C(O)CH3
  839207.9399  0.0391 -4.5811 3  982.7756500  595161404622834 3    612933 3      C-13-H3C(O)CH3
  839207.9470  0.0391 -4.5811 3  982.7756500  595161404622934 3    612833 3      C-13-H3C(O)CH3
  839208.0125  0.0391 -4.5810 3  982.7756500  595161404622834 4    612933 4      C-13-H3C(O)CH3
  839208.0195  0.0391 -4.5810 3  982.7756500  595161404622934 4    612833 4      C-13-H3C(O)CH3
  839229.8869  0.0049 -3.4565 3  582.5678728 -595161404453510 0    443411 0      C-13-H3C(O)CH3
  839229.8869  0.0049 -3.4565 3  582.5678728 -595161404453511 0    443410 0      C-13-H3C(O)CH3
  839233.5618  0.0338 -4.2815 3  963.2841984  595161404612932 0    603031 0      C-13-H3C(O)CH3
  839233.8233  0.0337 -4.2815 3  963.2841984  595161404613032 0    602931 0      C-13-H3C(O)CH3
  839246.8922  0.6396 -6.1031 3 1473.7421B76  595161404734726 0    724825 0      C-13-H3C(O)CH3
  839274.6931  0.0344 -4.2816 3  963.2941984  595161404612932 1    603031 1      C-13-H3C(O)CH3
  839274.9964  0.0344 -4.2816 3  963.2941984  595161404613032 1    602931 1      C-13-H3C(O)CH3
  839278.7961  0.0368 -4.2816 3  963.2952984  595161404612932 2    603031 2      C-13-H3C(O)CH3
  839279.0840  0.0368 -4.2816 3  963.2952984  595161404613032 2    602931 2      C-13-H3C(O)CH3
  839293.6047  0.0055 -3.4567 3  582.5910728 -595161404453510 2    443410 2      C-13-H3C(O)CH3
  839314.8983  0.0073 -4.4465 3  235.8148552  59516140434 826 0    33 627 0      C-13-H3C(O)CH3
  839314.8983  0.0073 -4.4465 3  235.8148552  59516140434 926 0    33 727 0      C-13-H3C(O)CH3
  839319.9895  0.0369 -4.5827 3  963.3053492  595161404612932 3    603031 3      C-13-H3C(O)CH3
  839320.0709  0.0370 -4.5827 3  963.3053492  595161404612932 4    603031 4      C-13-H3C(O)CH3
  839320.3231  0.0369 -4.5827 3  963.3053492  595161404613032 3    602931 3      C-13-H3C(O)CH3
  839320.4027  0.0369 -4.5827 3  963.3053492  595161404613032 4    602931 4      C-13-H3C(O)CH3
  839346.7192  0.0056 -3.4565 3  582.5796728  595161404453510 1    443410 1      C-13-H3C(O)CH3
  839347.7701  0.0188 -5.4497 3 1211.5806700  59516140487 087 4    86 086 4      C-13-H3C(O)CH3
  839347.7701  0.0188 -5.4497 3 1211.5806700  59516140487 187 4    86 186 4      C-13-H3C(O)CH3
  839347.7701  0.0188 -4.6149 3 1211.5806700  59516140487 087 4    86 186 4      C-13-H3C(O)CH3
  839347.7701  0.0188 -4.6149 3 1211.5806700  59516140487 187 4    86 086 4      C-13-H3C(O)CH3
  839347.7916  0.0188 -5.0512 3 1211.5806700  59516140487 087 3    86 086 3      C-13-H3C(O)CH3
  839347.7916  0.0188 -4.7227 3 1211.5806700  59516140487 087 3    86 186 3      C-13-H3C(O)CH3
  839347.7916  0.0188 -4.7227 3 1211.5806700  59516140487 187 3    86 086 3      C-13-H3C(O)CH3
  839347.7916  0.0188 -5.0512 3 1211.5806700  59516140487 187 3    86 186 3      C-13-H3C(O)CH3
  839350.1808  0.0235 -4.7348 3 1211.5187E00  59516140487 187 1    86 186 1      C-13-H3C(O)CH3
  839350.1808  0.0235 -4.4289 3 1211.5187E00  59516140487 187 1    86 086 1      C-13-H3C(O)CH3
  839350.1808  0.0235 -4.7348 3 1211.5187E00  59516140487 087 1    86 086 1      C-13-H3C(O)CH3
  839350.1808  0.0235 -4.4289 3 1211.5187E00  59516140487 087 1    86 186 1      C-13-H3C(O)CH3
  839350.3804  0.0315 -4.4260 3 1211.5185E00  59516140487 187 2    86 186 2      C-13-H3C(O)CH3
  839350.3804  0.0315 -4.7406 3 1211.5185E00  59516140487 187 2    86 086 2      C-13-H3C(O)CH3
  839350.3804  0.0315 -4.4260 3 1211.5185E00  59516140487 087 2    86 086 2      C-13-H3C(O)CH3
  839350.3804  0.0315 -4.7406 3 1211.5185E00  59516140487 087 2    86 186 2      C-13-H3C(O)CH3
  839351.0050  0.0057 -3.4565 3  582.5505728  595161404453511 1    443411 1      C-13-H3C(O)CH3
  839351.4148  0.0056 -3.4565 3  582.5682728  595161404453511 2    443411 2      C-13-H3C(O)CH3
  839352.7498  0.0201 -4.2911 3 1211.4567E00  59516140487 187 0    86 186 0      C-13-H3C(O)CH3
  839352.7498  0.0201 -5.3440 3 1211.4567E00  59516140487 087 0    86 186 0      C-13-H3C(O)CH3
  839352.7498  0.0201 -5.3440 3 1211.4567E00  59516140487 187 0    86 086 0      C-13-H3C(O)CH3
  839352.7498  0.0201 -4.2911 3 1211.4567E00  59516140487 087 0    86 086 0      C-13-H3C(O)CH3
  839361.2716  0.5734 -5.1970 3 1081.3371A16  595161404633825 1    623924 1      C-13-H3C(O)CH3
  839367.4984  0.0395 -4.2818 3 1001.5566A16  595161404632836 0    622735 0      C-13-H3C(O)CH3
  839367.4984  0.0395 -4.2818 3 1001.5566A16  595161404632736 0    622835 0      C-13-H3C(O)CH3
  839402.5559  0.0401 -4.2819 3 1001.5686A16  595161404632736 1    622835 1      C-13-H3C(O)CH3
  839402.5560  0.0401 -4.2819 3 1001.5686A16  595161404632836 1    622735 1      C-13-H3C(O)CH3
  839405.1745  0.0421 -4.2819 3 1001.5696A16  595161404632736 2    622835 2      C-13-H3C(O)CH3
  839405.1746  0.0421 -4.2819 3 1001.5696A16  595161404632836 2    622735 2      C-13-H3C(O)CH3
  839410.4503  0.0077 -3.7577 3  582.6027364  595161404453510 4    443410 4      C-13-H3C(O)CH3
  839415.3299  0.0073 -3.7577 3  582.5736364  595161404453511 3    443411 3      C-13-H3C(O)CH3
  839440.2792  0.0411 -4.5830 3 1001.5816508  595161404632736 3    622835 3      C-13-H3C(O)CH3
  839440.2794  0.0411 -4.5830 3 1001.5816508  595161404632836 3    622735 3      C-13-H3C(O)CH3
  839440.3472  0.0411 -4.5830 3 1001.5817508  595161404632736 4    622835 4      C-13-H3C(O)CH3
  839440.3474  0.0411 -4.5830 3 1001.5817508  595161404632836 4    622735 4      C-13-H3C(O)CH3
  839464.0621  0.0437 -4.3231 3 1141.6305B76  595161404731757 0    721656 0      C-13-H3C(O)CH3
  839464.0621  0.0437 -4.3231 3 1141.6305B76  595161404731657 0    721756 0      C-13-H3C(O)CH3
  839468.9169  0.0072 -3.7575 3  582.5800364  595161404453510 3    443410 3      C-13-H3C(O)CH3
  839473.4572  0.0077 -3.7575 3  582.5507364  595161404453511 4    443411 4      C-13-H3C(O)CH3
  839500.9218  0.0439 -4.3230 3 1141.6343B76  595161404731757 1    721656 1      C-13-H3C(O)CH3
  839500.9218  0.0439 -5.6208 3 1141.6343B76  595161404731757 1    721756 1      C-13-H3C(O)CH3
  839500.9218  0.0439 -4.3422 3 1141.6343B76  595161404731657 1    721756 1      C-13-H3C(O)CH3
  839501.4737  0.0444 -5.5740 3 1141.6343B76  595161404731757 2    721756 2      C-13-H3C(O)CH3
  839501.4737  0.0444 -4.3448 3 1141.6343B76  595161404731657 2    721756 2      C-13-H3C(O)CH3
  839501.4737  0.0444 -4.3448 3 1141.6343B76  595161404731757 2    721656 2      C-13-H3C(O)CH3
  839501.4737  0.0444 -5.5740 3 1141.6343B76  595161404731657 2    721656 2      C-13-H3C(O)CH3
  839538.3701  0.0451 -4.6291 3 1141.6382588  595161404731757 3    721756 3      C-13-H3C(O)CH3
  839538.3701  0.0451 -4.6291 3 1141.6382588  595161404731657 3    721656 3      C-13-H3C(O)CH3
  839538.4323  0.0451 -5.7762 3 1141.6382588  595161404731757 4    721656 4      C-13-H3C(O)CH3
  839538.4323  0.0451 -4.6525 3 1141.6382588  595161404731657 4    721656 4      C-13-H3C(O)CH3
  839538.4323  0.0451 -4.6395 3 1141.6382588  595161404731757 4    721756 4      C-13-H3C(O)CH3
  839538.4323  0.0451 -6.0005 3 1141.6382588  595161404731657 4    721756 4      C-13-H3C(O)CH3
  839583.0988  0.8148 -5.1965 3 1081.3360A16  595161404633825 2    623924 2      C-13-H3C(O)CH3
  839598.3911  0.0056 -3.5645 3  591.9680744 -595161404463314 0    453213 0      C-13-H3C(O)CH3
  839616.8558  0.0056 -3.5645 3  591.9676744  595161404463313 0    453214 0      C-13-H3C(O)CH3
  839686.5381  0.0163 -6.0036 3  200.0371268  59516140433 528 4    32 329 4      C-13-H3C(O)CH3
  839686.5381  0.0163 -5.1653 3  200.0371268  59516140433 628 4    32 329 4      C-13-H3C(O)CH3
  839686.5381  0.0163 -5.1653 3  200.0371268  59516140433 528 4    32 429 4      C-13-H3C(O)CH3
  839686.5381  0.0163 -6.0036 3  200.0371268  59516140433 628 4    32 429 4      C-13-H3C(O)CH3
  839686.6471  0.0146 -5.1072 3  200.0370268  59516140433 528 3    32 329 3      C-13-H3C(O)CH3
  839686.6471  0.0146 -5.1072 3  200.0370268  59516140433 628 3    32 429 3      C-13-H3C(O)CH3
  839703.2105  0.0058 -3.5647 3  592.0022744 -595161404463313 2    453213 2      C-13-H3C(O)CH3
  839725.4810  0.0059 -3.5646 3  591.9845744 -595161404463313 1    453213 1      C-13-H3C(O)CH3
  839733.5106  0.0067 -3.5645 3  591.9549744 -595161404463314 1    453214 1      C-13-H3C(O)CH3
  839775.0016  0.0064 -3.5642 3  591.9655744 -595161404463314 2    453214 2      C-13-H3C(O)CH3
  839821.8742  0.0076 -3.8658 3  592.0188372  595161404463313 4    453213 4      C-13-H3C(O)CH3
  839829.7295  0.0081 -3.8666 3  591.9893372  595161404463313 3    453213 3      C-13-H3C(O)CH3
  839831.1396  0.0423 -4.2862 3 1019.7294A32  595161404642638 0    632737 0      C-13-H3C(O)CH3
  839831.1396  0.0423 -4.2861 3 1019.7294A32  595161404642738 0    632637 0      C-13-H3C(O)CH3
  839859.1372  0.0080 -3.7339 3  603.8346760  595161404473116 0    463017 0      C-13-H3C(O)CH3
  839864.6880  0.0429 -4.2865 3 1019.7419A32  595161404642738 1    632637 1      C-13-H3C(O)CH3
  839864.6880  0.0429 -4.2865 3 1019.7419A32  595161404642638 1    632737 1      C-13-H3C(O)CH3
  839866.9635  0.0446 -4.2862 3 1019.7429A32  595161404642638 2    632737 2      C-13-H3C(O)CH3
  839866.9635  0.0446 -4.2862 3 1019.7429A32  595161404642738 2    632637 2      C-13-H3C(O)CH3
  839884.4984  0.0309 -4.2888 3  943.1042968  595161404603030 0    593129 0      C-13-H3C(O)CH3
  839893.7670  0.0080 -3.8662 3  591.9821372  595161404463314 3    453214 3      C-13-H3C(O)CH3
  839894.8905  0.0308 -4.2888 3  943.1039968  595161404603130 0    593029 0      C-13-H3C(O)CH3
  839900.5557  0.0430 -4.5873 3 1019.7553516  595161404642638 3    632737 3      C-13-H3C(O)CH3
  839900.5557  0.0430 -4.5873 3 1019.7553516  595161404642738 3    632637 3      C-13-H3C(O)CH3
  839900.6209  0.0430 -4.5873 3 1019.7554516  595161404642638 4    632737 4      C-13-H3C(O)CH3
  839900.6209  0.0430 -4.5872 3 1019.7554516  595161404642738 4    632637 4      C-13-H3C(O)CH3
  839901.2917  0.0088 -3.8651 3  591.9525372  595161404463314 4    453214 4      C-13-H3C(O)CH3
  839931.2960  0.0316 -4.2890 3  943.1126968  595161404603030 1    593129 1      C-13-H3C(O)CH3
  839937.1746  0.0342 -4.2889 3  943.1135968  595161404603030 2    593129 2      C-13-H3C(O)CH3
  839942.7672  0.0315 -4.2890 3  943.1123968  595161404603130 1    593029 1      C-13-H3C(O)CH3
  839948.3706  0.0339 -4.2889 3  943.1132968  595161404603130 2    593029 2      C-13-H3C(O)CH3
  839984.0198  0.0347 -4.5901 3  943.1219484  595161404603030 3    593129 3      C-13-H3C(O)CH3
  839984.1360  0.0347 -4.5901 3  943.1220484  595161404603030 4    593129 4      C-13-H3C(O)CH3
  839996.3756  0.0344 -4.5901 3  943.1216484  595161404603130 3    593029 3      C-13-H3C(O)CH3
  839996.4519  0.0344 -4.5901 3  943.1216484  595161404603130 4    593029 4      C-13-H3C(O)CH3
  840096.8618  0.3763 -5.8103 3 1340.4347B28  595161404704328 1    694425 1      C-13-H3C(O)CH3
  840145.7890  0.0273 -6.0227 3  163.6432260  59516140432 330 3    31 031 3      C-13-H3C(O)CH3
  840146.8221  0.0292 -6.0818 3  163.6432260  59516140432 230 4    31 131 4      C-13-H3C(O)CH3
  840195.7971  0.0213 -4.0546 3  603.8369380  595161404473116 3    463017 3      C-13-H3C(O)CH3
  840247.7473  0.0267 -3.8325 3  603.8305760  595161404473116 1    463017 1      C-13-H3C(O)CH3
  840247.8363  0.4625 -5.8087 3 1340.4265B28  595161404704328 2    694425 2      C-13-H3C(O)CH3
  840258.6188  0.0343 -4.3307 3 1201.4112D04  59516140481 874 0    80 873 0      C-13-H3C(O)CH3
  840258.6188  0.0343 -5.7027 3 1201.4112D04  59516140481 874 0    80 773 0      C-13-H3C(O)CH3
  840258.6188  0.0343 -5.7027 3 1201.4112D04  59516140481 774 0    80 873 0      C-13-H3C(O)CH3
  840258.6188  0.0343 -4.3307 3 1201.4112D04  59516140481 774 0    80 773 0      C-13-H3C(O)CH3
  840270.2326  0.0572 -4.3645 3 1201.3817D04  59516140481 774 1    80 873 1      C-13-H3C(O)CH3
  840270.2326  0.0572 -5.2605 3 1201.3817D04  59516140481 774 1    80 773 1      C-13-H3C(O)CH3
  840270.2326  0.0572 -5.2605 3 1201.3817D04  59516140481 874 1    80 873 1      C-13-H3C(O)CH3
  840270.2326  0.0572 -4.3645 3 1201.3817D04  59516140481 874 1    80 773 1      C-13-H3C(O)CH3
  840270.2735  0.0553 -4.7512 3 1201.3816D04  59516140481 874 2    80 873 2      C-13-H3C(O)CH3
  840270.2735  0.0553 -4.5092 3 1201.3816D04  59516140481 774 2    80 873 2      C-13-H3C(O)CH3
  840270.2735  0.0553 -4.7512 3 1201.3816D04  59516140481 774 2    80 773 2      C-13-H3C(O)CH3
  840270.2735  0.0553 -4.5092 3 1201.3816D04  59516140481 874 2    80 773 2      C-13-H3C(O)CH3
  840271.6034  0.0144 -4.8262 3  200.0093536  59516140433 528 2    32 329 2      C-13-H3C(O)CH3
  840271.6034  0.0144 -4.8361 3  200.0093536  59516140433 628 2    32 429 2      C-13-H3C(O)CH3
  840271.6034  0.0144 -5.9572 3  200.0093536  59516140433 528 2    32 429 2      C-13-H3C(O)CH3
  840275.6067  0.0155 -4.8839 3  200.0098536  59516140433 628 1    32 429 1      C-13-H3C(O)CH3
  840275.6067  0.0155 -4.8839 3  200.0098536  59516140433 528 1    32 329 1      C-13-H3C(O)CH3
  840275.6067  0.0155 -5.5821 3  200.0098536  59516140433 528 1    32 429 1      C-13-H3C(O)CH3
  840275.6067  0.0155 -5.5821 3  200.0098536  59516140433 628 1    32 329 1      C-13-H3C(O)CH3
  840281.8913  0.0317 -4.6142 3 1201.3520652  59516140481 874 4    80 773 4      C-13-H3C(O)CH3
  840281.8913  0.0317 -4.6142 3 1201.3520652  59516140481 774 4    80 873 4      C-13-H3C(O)CH3
  840281.8991  0.0317 -5.8707 3 1201.3520652  59516140481 774 3    80 873 3      C-13-H3C(O)CH3
  840281.8991  0.0317 -4.6382 3 1201.3520652  59516140481 874 3    80 873 3      C-13-H3C(O)CH3
  840281.8991  0.0317 -4.6382 3 1201.3520652  59516140481 774 3    80 773 3      C-13-H3C(O)CH3
  840281.8991  0.0317 -5.8707 3 1201.3520652  59516140481 874 3    80 773 3      C-13-H3C(O)CH3
  840374.4709  0.0101 -3.2475 3  573.8839680  5951614044242 0 0    4141 0 0      C-13-H3C(O)CH3
  840374.4709  0.0101 -3.2475 3  573.8839680  5951614044242 1 0    4141 1 0      C-13-H3C(O)CH3
  840451.7051  0.0449 -5.1861 3 1037.2923A48  595161404652540 0    642639 0      C-13-H3C(O)CH3
  840451.7051  0.0449 -4.3512 3 1037.2923A48  595161404652640 0    642639 0      C-13-H3C(O)CH3
  840451.7051  0.0449 -5.1861 3 1037.2923A48  595161404652640 0    642539 0      C-13-H3C(O)CH3
  840451.7051  0.0449 -4.3512 3 1037.2923A48  595161404652540 0    642539 0      C-13-H3C(O)CH3
  840484.3563  0.0455 -5.3805 3 1037.3051A48  595161404652640 1    642639 1      C-13-H3C(O)CH3
  840484.3563  0.0455 -5.7005 3 1037.3051A48  595161404652640 1    642539 1      C-13-H3C(O)CH3
  840484.3563  0.0455 -4.3093 3 1037.3051A48  595161404652540 1    642539 1      C-13-H3C(O)CH3
  840484.3563  0.0455 -4.3289 3 1037.3051A48  595161404652540 1    642639 1      C-13-H3C(O)CH3
  840486.4042  0.0469 -4.3030 3 1037.3060A48  595161404652540 2    642539 2      C-13-H3C(O)CH3
  840486.4042  0.0469 -4.3005 3 1037.3060A48  595161404652540 2    642639 2      C-13-H3C(O)CH3
  840486.4042  0.0469 -5.8930 3 1037.3060A48  595161404652640 2    642539 2      C-13-H3C(O)CH3
  840486.4042  0.0469 -6.0023 3 1037.3060A48  595161404652640 2    642639 2      C-13-H3C(O)CH3
  840507.1116  0.0147 -4.0043 3  417.4580648  595161404402218 2    392119 2      C-13-H3C(O)CH3
  840512.9495  0.3382 -5.8091 3 1340.4008B28  595161404704328 0    694425 0      C-13-H3C(O)CH3
  840519.0970  0.0448 -4.9621 3 1037.3187524  595161404652540 3    642639 3      C-13-H3C(O)CH3
  840519.0970  0.0448 -4.9621 3 1037.3187524  595161404652640 3    642539 3      C-13-H3C(O)CH3
  840519.0970  0.0448 -4.8353 3 1037.3187524  595161404652640 3    642639 3      C-13-H3C(O)CH3
  840519.0970  0.0448 -4.8353 3 1037.3187524  595161404652540 3    642539 3      C-13-H3C(O)CH3
  840519.1604  0.0448 -4.5974 3 1037.3187524  595161404652540 4    642539 4      C-13-H3C(O)CH3
  840519.1604  0.0448 -4.5974 3 1037.3187524  595161404652640 4    642639 4      C-13-H3C(O)CH3
  840525.1750  0.0460 -3.9136 3  603.8325760  595161404473116 2    463017 2      C-13-H3C(O)CH3
  840545.6525  0.0161 -4.3050 3  417.4344324  595161404402218 3    392119 3      C-13-H3C(O)CH3
  840548.8882  0.0159 -4.3050 3  417.4343324  595161404402218 4    392119 4      C-13-H3C(O)CH3
  840551.7199  0.0413 -4.3700 3 1153.5386B92  595161404741659 0    731558 0      C-13-H3C(O)CH3
  840551.7199  0.0413 -4.9961 3 1153.5386B92  595161404741659 0    731658 0      C-13-H3C(O)CH3
  840551.7199  0.0413 -4.4307 3 1153.5386B92  595161404741559 0    731658 0      C-13-H3C(O)CH3
  840551.7199  0.0413 -5.3442 3 1153.5386B92  595161404741559 0    731558 0      C-13-H3C(O)CH3
  840556.5215  0.0110 -3.2474 3  573.9368680 -5951614044242 0 1    4141 0 1      C-13-H3C(O)CH3
  840567.2553  0.0115 -3.2472 3  573.8339680 -5951614044242 1 2    4141 1 2      C-13-H3C(O)CH3
  840572.5196  0.0093 -4.0045 3  417.4862648  595161404402218 0    392119 0      C-13-H3C(O)CH3
  840588.7013  0.0423 -5.1038 3 1153.5401B92  595161404741559 1    731658 1      C-13-H3C(O)CH3
  840588.7013  0.0423 -4.4055 3 1153.5401B92  595161404741559 1    731558 1      C-13-H3C(O)CH3
  840588.7013  0.0423 -5.1038 3 1153.5401B92  595161404741659 1    731558 1      C-13-H3C(O)CH3
  840588.7013  0.0423 -4.4055 3 1153.5401B92  595161404741659 1    731658 1      C-13-H3C(O)CH3
  840589.0682  0.0425 -4.5413 3 1153.5400B92  595161404741659 2    731558 2      C-13-H3C(O)CH3
  840589.0682  0.0425 -4.7345 3 1153.5400B92  595161404741559 2    731558 2      C-13-H3C(O)CH3
  840589.0682  0.0425 -4.5413 3 1153.5400B92  595161404741559 2    731658 2      C-13-H3C(O)CH3
  840589.0682  0.0425 -4.7345 3 1153.5400B92  595161404741659 2    731658 2      C-13-H3C(O)CH3
  840592.4065  0.0130 -3.2473 3  573.9057680 -5951614044242 0 2    4141 0 2      C-13-H3C(O)CH3
  840611.6491  0.0099 -4.0042 3  417.4625648  595161404402218 1    392119 1      C-13-H3C(O)CH3
  840626.0849  0.0441 -4.7607 3 1153.5415596  595161404741559 3    731658 3      C-13-H3C(O)CH3
  840626.0849  0.0441 -5.2047 3 1153.5415596  595161404741559 3    731558 3      C-13-H3C(O)CH3
  840626.0849  0.0441 -4.7607 3 1153.5415596  595161404741659 3    731558 3      C-13-H3C(O)CH3
  840626.0849  0.0441 -5.2047 3 1153.5415596  595161404741659 3    731658 3      C-13-H3C(O)CH3
  840626.1454  0.0441 -4.6274 3 1153.5415596  595161404741559 4    731558 4      C-13-H3C(O)CH3
  840626.1454  0.0441 -4.6274 3 1153.5415596  595161404741659 4    731658 4      C-13-H3C(O)CH3
  840646.5576  0.0108 -3.2472 3  573.8612680 -5951614044242 1 1    4141 1 1      C-13-H3C(O)CH3
  840647.4132  0.6175 -5.1936 3 1081.3105A16  595161404633825 0    623924 0      C-13-H3C(O)CH3
  840749.1767  0.0170 -3.5481 3  573.8867340  5951614044242 1 3    4141 0 3      C-13-H3C(O)CH3
  840775.1544  0.0183 -3.5482 3  573.9585340  5951614044242 0 4    4141 0 4      C-13-H3C(O)CH3
  840788.1091  0.0141 -3.8351 3  599.2258760  595161404473017 0    462918 0      C-13-H3C(O)CH3
  840838.5587  0.0174 -3.5479 3  573.8112340  5951614044242 1 4    4141 1 4      C-13-H3C(O)CH3
  840859.3230  0.0136 -4.8037 3  199.9822536  59516140433 528 0    32 429 0      C-13-H3C(O)CH3
  840859.3230  0.0136 -4.8037 3  199.9822536  59516140433 628 0    32 329 0      C-13-H3C(O)CH3
  840861.3665  0.0204 -4.1339 3  599.2142380  595161404473017 3    462918 3      C-13-H3C(O)CH3
  840864.4904  0.0181 -3.5480 3  573.8829340  5951614044242 0 3    4141 1 3      C-13-H3C(O)CH3
  840884.3892  0.0148 -3.8379 3  599.2191760  595161404473017 1    462918 1      C-13-H3C(O)CH3
  840918.8059  0.0164 -3.8415 3  599.2191760  595161404473017 2    462918 2      C-13-H3C(O)CH3
  840999.4732  0.0088 -5.9270 3  191.7280456  595161404281613 2    271116 2      C-13-H3C(O)CH3
  841044.6970  0.0372 -5.7452 3  163.5740520  59516140432 230 2    31 031 2      C-13-H3C(O)CH3
  841044.6970  0.0372 -5.7452 3  163.5740520  59516140432 330 2    31 131 2      C-13-H3C(O)CH3
  841045.4806  0.0386 -5.7852 3  163.5744520  59516140432 230 1    31 131 1      C-13-H3C(O)CH3
  841045.4806  0.0386 -5.7852 3  163.5744520  59516140432 330 1    31 031 1      C-13-H3C(O)CH3
  841084.1737  0.0088 -5.9261 3  191.7305456  595161404281613 1    271116 1      C-13-H3C(O)CH3
  841173.2099  0.0221 -4.1568 3  599.2106380  595161404473017 4    462918 4      C-13-H3C(O)CH3
  841185.3134  0.0473 -4.7916 3 1054.2613A64  595161404662442 0    652441 0      C-13-H3C(O)CH3
  841185.3134  0.0473 -4.7916 3 1054.2613A64  595161404662542 0    652541 0      C-13-H3C(O)CH3
  841185.3134  0.0473 -4.4673 3 1054.2613A64  595161404662442 0    652541 0      C-13-H3C(O)CH3
  841185.3134  0.0473 -4.4673 3 1054.2613A64  595161404662542 0    652441 0      C-13-H3C(O)CH3
  841217.5308  0.0478 -4.3762 3 1054.2741A64  595161404662542 1    652441 1      C-13-H3C(O)CH3
  841217.5308  0.0478 -5.0865 3 1054.2741A64  595161404662442 1    652441 1      C-13-H3C(O)CH3
  841217.5308  0.0478 -4.3762 3 1054.2741A64  595161404662442 1    652541 1      C-13-H3C(O)CH3
  841217.5308  0.0478 -5.0865 3 1054.2741A64  595161404662542 1    652541 1      C-13-H3C(O)CH3
  841219.4128  0.0490 -4.2998 3 1054.2749A64  595161404662542 2    652541 2      C-13-H3C(O)CH3
  841219.4128  0.0490 -4.2998 3 1054.2749A64  595161404662442 2    652441 2      C-13-H3C(O)CH3
  841224.9928  0.0087 -5.9262 3  191.7362456  595161404281613 0    271116 0      C-13-H3C(O)CH3
  841251.6704  0.0463 -4.8503 3 1054.2877532  595161404662542 3    652541 3      C-13-H3C(O)CH3
  841251.6704  0.0463 -4.8503 3 1054.2877532  595161404662442 3    652441 3      C-13-H3C(O)CH3
  841251.6704  0.0463 -4.9582 3 1054.2877532  595161404662442 3    652541 3      C-13-H3C(O)CH3
  841251.6704  0.0463 -4.9582 3 1054.2877532  595161404662542 3    652441 3      C-13-H3C(O)CH3
  841251.7328  0.0463 -5.6762 3 1054.2877532  595161404662442 4    652541 4      C-13-H3C(O)CH3
  841251.7328  0.0463 -4.6990 3 1054.2877532  595161404662442 4    652441 4      C-13-H3C(O)CH3
  841251.7328  0.0463 -5.2900 3 1054.2877532  595161404662542 4    652441 4      C-13-H3C(O)CH3
  841251.7328  0.0463 -4.6379 3 1054.2877532  595161404662542 4    652541 4      C-13-H3C(O)CH3
  841389.6766  0.0287 -4.3064 3  922.1338952  595161404593128 0    583227 0      C-13-H3C(O)CH3
  841394.4451  0.0757 -4.4174 3  603.8213380  595161404473116 4    463017 4      C-13-H3C(O)CH3
  841438.7376  0.0296 -4.3067 3  922.1398952  595161404593128 1    583227 1      C-13-H3C(O)CH3
  841449.1538  0.0330 -4.3066 3  922.1405952  595161404593128 2    583227 2      C-13-H3C(O)CH3
  841466.9572  0.0329 -5.0151 3 1208.4547D20  59516140482 676 0    81 775 0      C-13-H3C(O)CH3
  841466.9572  0.0329 -5.0151 3 1208.4547D20  59516140482 776 0    81 675 0      C-13-H3C(O)CH3
  841466.9572  0.0329 -4.4090 3 1208.4547D20  59516140482 776 0    81 775 0      C-13-H3C(O)CH3
  841466.9572  0.0329 -4.4090 3 1208.4547D20  59516140482 676 0    81 675 0      C-13-H3C(O)CH3
  841470.6660  0.0538 -4.6356 3 1208.4224D20  59516140482 676 1    81 675 1      C-13-H3C(O)CH3
  841470.6660  0.0538 -4.6356 3 1208.4224D20  59516140482 776 1    81 775 1      C-13-H3C(O)CH3
  841470.6660  0.0538 -4.5932 3 1208.4224D20  59516140482 676 1    81 775 1      C-13-H3C(O)CH3
  841470.6660  0.0538 -4.5932 3 1208.4224D20  59516140482 776 1    81 675 1      C-13-H3C(O)CH3
  841470.7897  0.0525 -4.6282 3 1208.4223D20  59516140482 676 2    81 675 2      C-13-H3C(O)CH3
  841470.7897  0.0525 -4.6282 3 1208.4223D20  59516140482 776 2    81 775 2      C-13-H3C(O)CH3
  841470.7897  0.0525 -4.6000 3 1208.4223D20  59516140482 676 2    81 775 2      C-13-H3C(O)CH3
  841470.7897  0.0525 -4.6000 3 1208.4223D20  59516140482 776 2    81 675 2      C-13-H3C(O)CH3
  841474.4851  0.0291 -5.2869 3 1208.3900660  59516140482 676 4    81 675 4      C-13-H3C(O)CH3
  841474.4851  0.0291 -4.7175 3 1208.3900660  59516140482 776 4    81 675 4      C-13-H3C(O)CH3
  841474.4851  0.0291 -5.2869 3 1208.3900660  59516140482 776 4    81 775 4      C-13-H3C(O)CH3
  841474.4851  0.0291 -4.7175 3 1208.3900660  59516140482 676 4    81 775 4      C-13-H3C(O)CH3
  841474.5089  0.0291 -4.6420 3 1208.3901660  59516140482 776 3    81 675 3      C-13-H3C(O)CH3
  841474.5089  0.0291 -5.8150 3 1208.3901660  59516140482 776 3    81 775 3      C-13-H3C(O)CH3
  841474.5089  0.0291 -4.6420 3 1208.3901660  59516140482 676 3    81 775 3      C-13-H3C(O)CH3
  841474.5089  0.0291 -5.8150 3 1208.3901660  59516140482 676 3    81 675 3      C-13-H3C(O)CH3
  841497.7978  0.0340 -4.6079 3  922.1465476  595161404593128 3    583227 3      C-13-H3C(O)CH3
  841498.2433  0.0339 -4.6079 3  922.1465476  595161404593128 4    583227 4      C-13-H3C(O)CH3
  841655.7919  0.0387 -4.6470 3 1164.9052C08  595161404751461 0    741460 0      C-13-H3C(O)CH3
  841655.7919  0.0387 -4.6195 3 1164.9052C08  595161404751561 0    741460 0      C-13-H3C(O)CH3
  841655.7919  0.0387 -4.6195 3 1164.9052C08  595161404751461 0    741560 0      C-13-H3C(O)CH3
  841655.7919  0.0387 -4.6470 3 1164.9052C08  595161404751561 0    741560 0      C-13-H3C(O)CH3
  841692.5314  0.0413 -6.0880 3 1164.9039C08  595161404751561 1    741560 1      C-13-H3C(O)CH3
  841692.5314  0.0413 -4.3397 3 1164.9039C08  595161404751561 1    741460 1      C-13-H3C(O)CH3
  841692.5314  0.0413 -6.0880 3 1164.9039C08  595161404751461 1    741460 1      C-13-H3C(O)CH3
  841692.5314  0.0413 -4.3397 3 1164.9039C08  595161404751461 1    741560 1      C-13-H3C(O)CH3
  841692.7263  0.0411 -4.7120 3 1164.9038C08  595161404751561 2    741560 2      C-13-H3C(O)CH3
  841692.7263  0.0411 -4.5662 3 1164.9038C08  595161404751461 2    741560 2      C-13-H3C(O)CH3
  841692.7263  0.0411 -4.5662 3 1164.9038C08  595161404751561 2    741460 2      C-13-H3C(O)CH3
  841692.7263  0.0411 -4.7120 3 1164.9038C08  595161404751461 2    741460 2      C-13-H3C(O)CH3
  841694.6712  0.0283 -4.3061 3  922.1260952  595161404593228 0    583127 0      C-13-H3C(O)CH3
  841729.4993  0.0429 -4.6611 3 1164.9026604  595161404751561 3    741460 3      C-13-H3C(O)CH3
  841729.4993  0.0429 -5.8352 3 1164.9026604  595161404751561 3    741560 3      C-13-H3C(O)CH3
  841729.4993  0.0429 -5.8352 3 1164.9026604  595161404751461 3    741460 3      C-13-H3C(O)CH3
  841729.4993  0.0429 -4.6611 3 1164.9026604  595161404751461 3    741560 3      C-13-H3C(O)CH3
  841729.5575  0.0429 -4.6567 3 1164.9026604  595161404751561 4    741560 4      C-13-H3C(O)CH3
  841729.5575  0.0429 -4.6365 3 1164.9026604  595161404751461 4    741460 4      C-13-H3C(O)CH3
  841729.5575  0.0429 -5.9073 3 1164.9026604  595161404751561 4    741460 4      C-13-H3C(O)CH3
  841764.1677  0.0284 -4.3063 3  922.1315952  595161404593228 1    583127 1      C-13-H3C(O)CH3
  841771.6159  0.0293 -4.3063 3  922.1323952  595161404593228 2    583127 2      C-13-H3C(O)CH3
  841841.6773  0.0295 -4.6075 3  922.1378476  595161404593228 4    583127 4      C-13-H3C(O)CH3
  841841.8480  0.0294 -4.6075 3  922.1378476  595161404593228 3    583127 3      C-13-H3C(O)CH3
  841942.1943  0.0359 -5.7210 3  163.5053520  59516140432 330 0    31 131 0      C-13-H3C(O)CH3
  841942.1943  0.0359 -5.7210 3  163.5053520  59516140432 230 0    31 031 0      C-13-H3C(O)CH3
  842002.8453  0.0493 -4.3083 3 1070.6481A80  595161404672444 0    662343 0      C-13-H3C(O)CH3
  842002.8453  0.0493 -4.3083 3 1070.6481A80  595161404672344 0    662443 0      C-13-H3C(O)CH3
  842034.9933  0.0497 -4.6822 3 1070.6607A80  595161404672344 1    662443 1      C-13-H3C(O)CH3
  842034.9933  0.0497 -4.5436 3 1070.6607A80  595161404672344 1    662343 1      C-13-H3C(O)CH3
  842034.9933  0.0497 -4.5436 3 1070.6607A80  595161404672444 1    662443 1      C-13-H3C(O)CH3
  842034.9933  0.0497 -4.6822 3 1070.6607A80  595161404672444 1    662343 1      C-13-H3C(O)CH3
  842036.7381  0.0508 -4.3083 3 1070.6615A80  595161404672444 2    662343 2      C-13-H3C(O)CH3
  842036.7381  0.0508 -4.3083 3 1070.6615A80  595161404672344 2    662443 2      C-13-H3C(O)CH3
  842068.9254  0.0476 -4.7523 3 1070.6741540  595161404672444 3    662343 3      C-13-H3C(O)CH3
  842068.9254  0.0476 -5.1546 3 1070.6741540  595161404672344 3    662343 3      C-13-H3C(O)CH3
  842068.9254  0.0476 -5.1546 3 1070.6741540  595161404672444 3    662443 3      C-13-H3C(O)CH3
  842068.9254  0.0476 -4.7523 3 1070.6741540  595161404672344 3    662443 3      C-13-H3C(O)CH3
  842068.9873  0.0476 -5.3489 3 1070.6742540  595161404672344 4    662343 4      C-13-H3C(O)CH3
  842068.9873  0.0476 -5.3489 3 1070.6742540  595161404672444 4    662443 4      C-13-H3C(O)CH3
  842068.9873  0.0476 -4.6943 3 1070.6742540  595161404672444 4    662343 4      C-13-H3C(O)CH3
  842068.9873  0.0476 -4.6943 3 1070.6742540  595161404672344 4    662443 4      C-13-H3C(O)CH3
  842190.2539  0.1049 -4.2286 3  758.0021856  595161404533222 0    523121 0      C-13-H3C(O)CH3
  842253.1539  0.0152 -3.8285 3  627.2714776 -595161404483118 0    473017 0      C-13-H3C(O)CH3
  842253.5946  0.0357 -4.2070 3  627.2692388  595161404483118 4    473017 4      C-13-H3C(O)CH3
  842323.1381  0.0055 -3.2988 3  577.3340696 -5951614044340 4 0    4239 4 0      C-13-H3C(O)CH3
  842323.1381  0.0055 -3.2988 3  577.3340696 -5951614044340 3 0    4239 3 0      C-13-H3C(O)CH3
  842340.1567  0.0609 -4.6527 3  900.2775468  595161404583226 3    573325 3      C-13-H3C(O)CH3
  842344.0057  0.0595 -4.6527 3  900.2774468  595161404583226 4    573325 4      C-13-H3C(O)CH3
  842359.5637  0.0493 -4.3510 3  900.2735936  595161404583226 1    573325 1      C-13-H3C(O)CH3
  842381.3566  0.0652 -4.3509 3  900.2736936  595161404583226 2    573325 2      C-13-H3C(O)CH3
  842384.2700  0.0138 -3.8423 3  627.2680776  595161404483118 1    473017 1      C-13-H3C(O)CH3
  842395.9207  0.0509 -4.3503 3  900.2697936  595161404583226 0    573325 0      C-13-H3C(O)CH3
  842407.4150  0.0184 -3.8559 3  627.2692776  595161404483118 2    473017 2      C-13-H3C(O)CH3
  842443.3110  0.0057 -3.2987 3  577.2985696 -5951614044340 4 2    4239 4 2      C-13-H3C(O)CH3
  842465.6310  0.0061 -3.2987 3  577.3399696 -5951614044340 3 2    4239 3 2      C-13-H3C(O)CH3
  842494.4285  0.0059 -3.2987 3  577.3633696 -5951614044340 3 1    4239 3 1      C-13-H3C(O)CH3
  842527.2146  0.0058 -3.2986 3  577.3035696 -5951614044340 4 1    4239 4 1      C-13-H3C(O)CH3
  842614.0031  0.0083 -3.5996 3  577.3278348  5951614044340 3 3    4239 3 3      C-13-H3C(O)CH3
  842636.6092  0.0090 -3.5996 3  577.3691348  5951614044340 3 4    4239 3 4      C-13-H3C(O)CH3
  842646.9016  0.0088 -3.5995 3  577.2681348  5951614044340 4 4    4239 4 4      C-13-H3C(O)CH3
  842668.8952  0.0086 -3.5995 3  577.3095348  5951614044340 4 3    4239 4 3      C-13-H3C(O)CH3
  842677.7786  0.0254 -4.6263 3 1214.8986668  59516140483 578 4    82 577 4      C-13-H3C(O)CH3
  842677.7786  0.0254 -4.6263 3 1214.8986668  59516140483 678 4    82 677 4      C-13-H3C(O)CH3
  842677.8154  0.0254 -4.6467 3 1214.8987668  59516140483 578 3    82 577 3      C-13-H3C(O)CH3
  842677.8154  0.0254 -5.7453 3 1214.8987668  59516140483 678 3    82 577 3      C-13-H3C(O)CH3
  842677.8154  0.0254 -4.6467 3 1214.8987668  59516140483 678 3    82 677 3      C-13-H3C(O)CH3
  842677.8154  0.0254 -5.7453 3 1214.8987668  59516140483 578 3    82 677 3      C-13-H3C(O)CH3
  842682.5016  0.0459 -4.3790 3 1214.9319D36  59516140483 578 1    82 577 1      C-13-H3C(O)CH3
  842682.5016  0.0459 -5.1598 3 1214.9319D36  59516140483 578 1    82 677 1      C-13-H3C(O)CH3
  842682.5016  0.0459 -4.4352 3 1214.9319D36  59516140483 678 1    82 677 1      C-13-H3C(O)CH3
  842682.5016  0.0459 -4.9209 3 1214.9319D36  59516140483 678 1    82 577 1      C-13-H3C(O)CH3
  842682.6693  0.0453 -4.3125 3 1214.9317D36  59516140483 578 2    82 577 2      C-13-H3C(O)CH3
  842682.6693  0.0453 -4.3156 3 1214.9317D36  59516140483 678 2    82 677 2      C-13-H3C(O)CH3
  842686.8884  0.0176 -5.4729 3  268.3692252  5951614043125 6 4    3022 8 4      C-13-H3C(O)CH3
  842687.3646  0.0290 -4.3132 3 1214.9649D36  59516140483 578 0    82 677 0      C-13-H3C(O)CH3
  842687.3646  0.0290 -4.3132 3 1214.9649D36  59516140483 678 0    82 577 0      C-13-H3C(O)CH3
  842724.6135  0.0153 -5.4714 3  268.3581252  5951614043125 7 3    3022 8 3      C-13-H3C(O)CH3
  842751.2527  0.0071 -4.0221 3  361.1667616  595161404381820 2    371721 2      C-13-H3C(O)CH3
  842756.3776  0.0061 -4.0223 3  361.1952616  595161404381820 0    371721 0      C-13-H3C(O)CH3
  842760.5069  0.0071 -4.0221 3  361.1667616  595161404381920 2    371621 2      C-13-H3C(O)CH3
  842765.1568  0.0061 -4.0223 3  361.1952616  595161404381920 0    371621 0      C-13-H3C(O)CH3
  842768.6758  0.0078 -4.3229 3  361.1408308  595161404381820 4    371721 4      C-13-H3C(O)CH3
  842768.7608  0.0078 -4.3229 3  361.1409308  595161404381820 3    371721 3      C-13-H3C(O)CH3
  842773.7839  0.0066 -4.0221 3  361.1694616  595161404381820 1    371721 1      C-13-H3C(O)CH3
  842775.0006  0.0363 -4.7277 3 1175.7321C24  595161404761363 0    751462 0      C-13-H3C(O)CH3
  842775.0006  0.0363 -4.5641 3 1175.7321C24  595161404761363 0    751362 0      C-13-H3C(O)CH3
  842775.0006  0.0363 -4.5641 3 1175.7321C24  595161404761463 0    751462 0      C-13-H3C(O)CH3
  842775.0006  0.0363 -4.7277 3 1175.7321C24  595161404761463 0    751362 0      C-13-H3C(O)CH3
  842778.0460  0.0078 -4.3229 3  361.1408308  595161404381920 4    371621 4      C-13-H3C(O)CH3
  842778.1610  0.0077 -4.3229 3  361.1409308  595161404381920 3    371621 3      C-13-H3C(O)CH3
  842782.6983  0.0066 -4.0221 3  361.1694616  595161404381920 1    371621 1      C-13-H3C(O)CH3
  842810.9983  0.0416 -4.3542 3 1175.7277C24  595161404761463 1    751362 1      C-13-H3C(O)CH3
  842810.9983  0.0416 -5.7541 3 1175.7277C24  595161404761463 1    751462 1      C-13-H3C(O)CH3
  842810.9983  0.0416 -4.3542 3 1175.7277C24  595161404761363 1    751462 1      C-13-H3C(O)CH3
  842810.9983  0.0416 -5.7541 3 1175.7277C24  595161404761363 1    751362 1      C-13-H3C(O)CH3
  842811.0447  0.0407 -5.1138 3 1175.7276C24  595161404761463 2    751462 2      C-13-H3C(O)CH3
  842811.0447  0.0407 -5.1138 3 1175.7276C24  595161404761363 2    751362 2      C-13-H3C(O)CH3
  842811.0447  0.0407 -4.4167 3 1175.7276C24  595161404761363 2    751462 2      C-13-H3C(O)CH3
  842811.0447  0.0407 -4.4167 3 1175.7276C24  595161404761463 2    751362 2      C-13-H3C(O)CH3
  842820.3970  0.0311 -3.9397 3  651.4066792  595161404493119 0    483018 0      C-13-H3C(O)CH3
  842837.9394  0.0203 -4.1294 3  627.2623388  595161404483118 3    473017 3      C-13-H3C(O)CH3
  842847.0734  0.0416 -5.6607 3 1175.7232612  595161404761463 3    751462 3      C-13-H3C(O)CH3
  842847.0734  0.0416 -4.6815 3 1175.7232612  595161404761363 3    751462 3      C-13-H3C(O)CH3
  842847.0734  0.0416 -4.6815 3 1175.7232612  595161404761463 3    751362 3      C-13-H3C(O)CH3
  842847.0734  0.0416 -5.6607 3 1175.7232612  595161404761363 3    751362 3      C-13-H3C(O)CH3
  842847.1281  0.0416 -5.2392 3 1175.7232612  595161404761463 4    751462 4      C-13-H3C(O)CH3
  842847.1281  0.0416 -4.7635 3 1175.7232612  595161404761363 4    751462 4      C-13-H3C(O)CH3
  842847.1281  0.0416 -5.2392 3 1175.7232612  595161404761363 4    751362 4      C-13-H3C(O)CH3
  842847.1281  0.0416 -4.7635 3 1175.7232612  595161404761463 4    751362 4      C-13-H3C(O)CH3
  842883.3442  0.0888 -4.2276 3  757.9801856  595161404533222 1    523121 1      C-13-H3C(O)CH3
  842884.3272  0.0508 -5.5911 3 1086.4619A96  595161404682246 0    672245 0      C-13-H3C(O)CH3
  842884.3272  0.0508 -4.3378 3 1086.4619A96  595161404682246 0    672345 0      C-13-H3C(O)CH3
  842884.3272  0.0508 -5.5911 3 1086.4619A96  595161404682346 0    672345 0      C-13-H3C(O)CH3
  842884.3272  0.0508 -4.3378 3 1086.4619A96  595161404682346 0    672245 0      C-13-H3C(O)CH3
  842916.6955  0.0512 -4.5128 3 1086.4742A96  595161404682346 1    672345 1      C-13-H3C(O)CH3
  842916.6955  0.0512 -4.5128 3 1086.4742A96  595161404682246 1    672245 1      C-13-H3C(O)CH3
  842916.6955  0.0512 -4.7497 3 1086.4742A96  595161404682346 1    672245 1      C-13-H3C(O)CH3
  842916.6955  0.0512 -4.7497 3 1086.4742A96  595161404682246 1    672345 1      C-13-H3C(O)CH3
  842918.3109  0.0521 -4.3501 3 1086.4749A96  595161404682346 2    672345 2      C-13-H3C(O)CH3
  842918.3109  0.0521 -5.4153 3 1086.4749A96  595161404682246 2    672345 2      C-13-H3C(O)CH3
  842918.3109  0.0521 -4.3501 3 1086.4749A96  595161404682246 2    672245 2      C-13-H3C(O)CH3
  842918.3109  0.0521 -5.4153 3 1086.4749A96  595161404682346 2    672245 2      C-13-H3C(O)CH3
  842950.7180  0.0486 -4.6589 3 1086.4872548  595161404682346 3    672245 3      C-13-H3C(O)CH3
  842950.7180  0.0486 -5.6351 3 1086.4872548  595161404682346 3    672345 3      C-13-H3C(O)CH3
  842950.7180  0.0486 -4.6589 3 1086.4872548  595161404682246 3    672345 3      C-13-H3C(O)CH3
  842950.7180  0.0486 -5.6351 3 1086.4872548  595161404682246 3    672245 3      C-13-H3C(O)CH3
  842950.7797  0.0487 -4.6999 3 1086.4872548  595161404682246 4    672245 4      C-13-H3C(O)CH3
  842950.7797  0.0487 -4.6999 3 1086.4872548  595161404682346 4    672345 4      C-13-H3C(O)CH3
  842950.7797  0.0487 -5.3673 3 1086.4872548  595161404682246 4    672345 4      C-13-H3C(O)CH3
  842950.7797  0.0487 -5.3673 3 1086.4872548  595161404682346 4    672245 4      C-13-H3C(O)CH3
  842956.7443  0.0140 -5.1719 3  268.3860504  5951614043125 6 1    3022 8 1      C-13-H3C(O)CH3
  843078.5256  0.1442 -4.2274 3  757.9725856  595161404533222 2    523121 2      C-13-H3C(O)CH3
  843114.3946  0.0153 -5.4732 3  268.3465252  5951614043125 6 3    3022 9 3      C-13-H3C(O)CH3
  843146.2656  0.0251 -3.9405 3  651.3968792  595161404493119 1    483018 1      C-13-H3C(O)CH3
  843152.2230  0.0161 -5.4682 3  268.3354252  5951614043125 7 4    3022 9 4      C-13-H3C(O)CH3
  843271.1917  0.0139 -5.1761 3  268.3915504  5951614043125 6 2    3022 8 2      C-13-H3C(O)CH3
  843274.4147  0.9345 -5.9407 3 1266.3436548  595161404684226 3    674325 3      C-13-H3C(O)CH3
  843305.1116  0.0396 -3.9417 3  651.3924792  595161404493119 2    483018 2      C-13-H3C(O)CH3
  843308.4343  0.0138 -5.1729 3  268.3803504  5951614043125 7 2    3022 9 2      C-13-H3C(O)CH3
  843330.6365  0.7923 -5.9511 3 1266.3422548  595161404684226 4    674325 4      C-13-H3C(O)CH3
  843378.8234  0.0136 -5.1705 3  268.3634504  5951614043125 7 1    3022 9 1      C-13-H3C(O)CH3
  843382.9765  0.0849 -5.7074 3  608.8855380  595161404473216 4    463115 4      C-13-H3C(O)CH3
  843456.3914  0.0071 -4.4550 3  298.8528292  595161404361323 4    351224 4      C-13-H3C(O)CH3
  843456.3916  0.0071 -4.4550 3  298.8528292  595161404361423 4    351124 4      C-13-H3C(O)CH3
  843456.8109  0.0066 -4.4550 3  298.8528292  595161404361323 3    351224 3      C-13-H3C(O)CH3
  843456.8111  0.0066 -4.4550 3  298.8528292  595161404361423 3    351124 3      C-13-H3C(O)CH3
  843502.7293  0.0281 -4.2503 3  651.3842396  595161404493119 4    483018 4      C-13-H3C(O)CH3
  843517.6493  0.0141 -5.1737 3  268.4088504  5951614043125 7 0    3022 8 0      C-13-H3C(O)CH3
  843563.6941  0.0141 -5.1737 3  268.4073504  5951614043125 6 0    3022 9 0      C-13-H3C(O)CH3
  843568.1346  0.0064 -4.1540 3  298.8735584  595161404361323 2    351224 2      C-13-H3C(O)CH3
  843568.1348  0.0064 -4.1540 3  298.8735584  595161404361423 2    351124 2      C-13-H3C(O)CH3
  843579.7074  0.0065 -4.1540 3  298.8750584  595161404361323 1    351224 1      C-13-H3C(O)CH3
  843579.7076  0.0065 -4.1540 3  298.8750584  595161404361423 1    351124 1      C-13-H3C(O)CH3
  843690.8607  0.0059 -4.1539 3  298.8957584  595161404361323 0    351224 0      C-13-H3C(O)CH3
  843690.8609  0.0059 -4.1539 3  298.8957584  595161404361423 0    351124 0      C-13-H3C(O)CH3
  843748.7258  0.0454 -4.2370 3  651.3813396  595161404493119 3    483018 3      C-13-H3C(O)CH3
  843751.4738  0.1248 -4.5276 3  757.9510428  595161404533222 4    523121 4      C-13-H3C(O)CH3
  843790.7928  0.1312 -4.5272 3  757.9504428  595161404533222 3    523121 3      C-13-H3C(O)CH3
  843815.7021  0.0518 -4.3345 3 1101.7100B12  595161404692248 0    682147 0      C-13-H3C(O)CH3
  843815.7021  0.0518 -5.8825 3 1101.7100B12  595161404692248 0    682247 0      C-13-H3C(O)CH3
  843815.7021  0.0518 -5.8825 3 1101.7100B12  595161404692148 0    682147 0      C-13-H3C(O)CH3
  843815.7021  0.0518 -4.3345 3 1101.7100B12  595161404692148 0    682247 0      C-13-H3C(O)CH3
  843848.5170  0.0521 -4.3241 3 1101.7217B12  595161404692148 1    682247 1      C-13-H3C(O)CH3
  843848.5170  0.0521 -4.3241 3 1101.7217B12  595161404692248 1    682147 1      C-13-H3C(O)CH3
  843849.9980  0.0530 -5.9684 3 1101.7223B12  595161404692148 2    682147 2      C-13-H3C(O)CH3
  843849.9980  0.0530 -4.3323 3 1101.7223B12  595161404692148 2    682247 2      C-13-H3C(O)CH3
  843849.9980  0.0530 -5.9684 3 1101.7223B12  595161404692248 2    682247 2      C-13-H3C(O)CH3
  843849.9980  0.0530 -4.3323 3 1101.7223B12  595161404692248 2    682147 2      C-13-H3C(O)CH3
  843882.8513  0.0494 -5.6676 3 1101.7340556  595161404692248 3    682247 3      C-13-H3C(O)CH3
  843882.8513  0.0494 -4.6645 3 1101.7340556  595161404692248 3    682147 3      C-13-H3C(O)CH3
  843882.8513  0.0494 -5.6676 3 1101.7340556  595161404692148 3    682147 3      C-13-H3C(O)CH3
  843882.8513  0.0494 -4.6645 3 1101.7340556  595161404692148 3    682247 3      C-13-H3C(O)CH3
  843882.9129  0.0494 -4.6235 3 1101.7341556  595161404692148 4    682147 4      C-13-H3C(O)CH3
  843882.9129  0.0494 -4.6235 3 1101.7341556  595161404692248 4    682247 4      C-13-H3C(O)CH3
  843892.4085  0.0205 -5.2582 3 1220.8796676  59516140484 480 4    83 479 4      C-13-H3C(O)CH3
  843892.4085  0.0205 -5.3582 3 1220.8796676  59516140484 580 4    83 579 4      C-13-H3C(O)CH3
  843892.4085  0.0205 -4.6981 3 1220.8796676  59516140484 580 4    83 479 4      C-13-H3C(O)CH3
  843892.4085  0.0205 -4.7234 3 1220.8796676  59516140484 480 4    83 579 4      C-13-H3C(O)CH3
  843892.4506  0.0205 -4.6384 3 1220.8796676  59516140484 480 3    83 479 3      C-13-H3C(O)CH3
  843892.4506  0.0205 -5.8213 3 1220.8796676  59516140484 480 3    83 579 3      C-13-H3C(O)CH3
  843892.4506  0.0205 -5.8446 3 1220.8796676  59516140484 580 3    83 479 3      C-13-H3C(O)CH3
  843892.4506  0.0205 -4.6399 3 1220.8796676  59516140484 580 3    83 579 3      C-13-H3C(O)CH3
  843905.5164  0.0337 -4.4210 3 1220.9104D52 -59516140484 580 1    83 479 1      C-13-H3C(O)CH3
  843905.5164  0.0339 -5.0939 3 1220.9102D52 -59516140484 580 2    83 479 2      C-13-H3C(O)CH3
  843905.5164  0.0337 -4.9619 3 1220.9104D52 -59516140484 480 1    83 479 1      C-13-H3C(O)CH3
  843905.5164  0.0339 -5.0939 3 1220.9102D52 -59516140484 480 2    83 579 2      C-13-H3C(O)CH3
  843905.6238  0.0337 -4.4210 3 1220.9104D52  59516140484 480 1    83 579 1      C-13-H3C(O)CH3
  843905.6238  0.0337 -4.9619 3 1220.9104D52  59516140484 580 1    83 579 1      C-13-H3C(O)CH3
  843905.7641  0.0339 -4.3895 3 1220.9102D52  59516140484 480 2    83 479 2      C-13-H3C(O)CH3
  843905.7641  0.0339 -4.3895 3 1220.9102D52  59516140484 580 2    83 579 2      C-13-H3C(O)CH3
  843908.4546  0.0344 -4.3558 3 1186.0211C40  595161404771265 0    761264 0      C-13-H3C(O)CH3
  843908.4546  0.0344 -4.3558 3 1186.0211C40  595161404771365 0    761364 0      C-13-H3C(O)CH3
  843908.4546  0.0344 -5.8449 3 1186.0211C40  595161404771265 0    761364 0      C-13-H3C(O)CH3
  843908.4546  0.0344 -5.8449 3 1186.0211C40  595161404771365 0    761264 0      C-13-H3C(O)CH3
  843918.9425  0.0226 -4.7643 3 1220.9411D52  59516140484 580 0    83 479 0      C-13-H3C(O)CH3
  843918.9425  0.0226 -4.4999 3 1220.9411D52  59516140484 480 0    83 479 0      C-13-H3C(O)CH3
  843918.9425  0.0226 -4.4999 3 1220.9411D52  59516140484 580 0    83 579 0      C-13-H3C(O)CH3
  843918.9425  0.0226 -4.7643 3 1220.9411D52  59516140484 480 0    83 579 0      C-13-H3C(O)CH3
  843934.9421  0.6665 -5.6433 3 1266.3118A96  595161404684226 1    674325 1      C-13-H3C(O)CH3
  843942.9907  0.0420 -4.3704 3 1186.0129C40  595161404771265 2    761364 2      C-13-H3C(O)CH3
  843942.9907  0.0420 -5.5386 3 1186.0129C40  595161404771365 2    761364 2      C-13-H3C(O)CH3
  843942.9907  0.0420 -4.3704 3 1186.0129C40  595161404771365 2    761264 2      C-13-H3C(O)CH3
  843942.9907  0.0420 -5.5386 3 1186.0129C40  595161404771265 2    761264 2      C-13-H3C(O)CH3
  843943.0588  0.0436 -4.3764 3 1186.0131C40  595161404771365 1    761264 1      C-13-H3C(O)CH3
  843943.0588  0.0436 -5.4581 3 1186.0131C40  595161404771365 1    761364 1      C-13-H3C(O)CH3
  843943.0588  0.0436 -4.3451 3 1186.0131C40  595161404771265 1    761364 1      C-13-H3C(O)CH3
  843977.6229  0.0404 -4.6793 3 1186.0050620  595161404771365 3    761364 3      C-13-H3C(O)CH3
  843977.6229  0.0404 -5.7372 3 1186.0050620  595161404771265 3    761364 3      C-13-H3C(O)CH3
  843977.6229  0.0404 -4.6793 3 1186.0050620  595161404771265 3    761264 3      C-13-H3C(O)CH3
  843977.6229  0.0404 -5.7372 3 1186.0050620  595161404771365 3    761264 3      C-13-H3C(O)CH3
  843977.6727  0.0404 -5.9025 3 1186.0049620  595161404771365 4    761364 4      C-13-H3C(O)CH3
  843977.6727  0.0404 -5.9025 3 1186.0049620  595161404771265 4    761264 4      C-13-H3C(O)CH3
  843977.6727  0.0404 -4.6674 3 1186.0049620  595161404771365 4    761264 4      C-13-H3C(O)CH3
  843977.6727  0.0404 -4.6674 3 1186.0049620  595161404771265 4    761364 4      C-13-H3C(O)CH3
  844098.5012  0.0053 -3.3599 3  582.3811712 -5951614044438 7 0    4337 6 0      C-13-H3C(O)CH3
  844098.5012  0.0053 -3.3599 3  582.3811712 -5951614044438 6 0    4337 7 0      C-13-H3C(O)CH3
  844182.8654  0.0059 -3.3599 3  582.3883712 -5951614044438 6 2    4337 6 2      C-13-H3C(O)CH3
  844193.7565  0.0058 -3.3599 3  582.3651712 -5951614044438 7 2    4337 7 2      C-13-H3C(O)CH3
  844193.9595  0.9058 -5.6399 3 1266.3057A96  595161404684226 2    674325 2      C-13-H3C(O)CH3
  844242.1842  0.0059 -3.3598 3  582.3967712 -5951614044438 6 1    4337 6 1      C-13-H3C(O)CH3
  844243.9013  0.0673 -4.9470 3  608.8665760  595161404473216 2    463115 2      C-13-H3C(O)CH3
  844251.0898  0.0057 -3.3598 3  582.3538712 -5951614044438 7 1    4337 7 1      C-13-H3C(O)CH3
  844325.8868  0.0085 -3.6608 3  582.4038356  5951614044438 6 4    4337 6 4      C-13-H3C(O)CH3
  844334.9656  0.0081 -3.6608 3  582.3610356  5951614044438 7 3    4337 7 3      C-13-H3C(O)CH3
  844337.0323  0.0080 -3.6608 3  582.3808356  5951614044438 6 3    4337 6 3      C-13-H3C(O)CH3
  844338.4370  0.1614 -4.7593 3  905.7682468  595161404583325 3    573424 3      C-13-H3C(O)CH3
  844346.5467  0.0082 -3.6608 3  582.3378356  5951614044438 7 4    4337 7 4      C-13-H3C(O)CH3
  844352.6863  0.1563 -4.7593 3  905.7679468  595161404583325 4    573424 4      C-13-H3C(O)CH3
  844567.9256  0.0068 -4.0029 3  389.3068632  595161404392019 0    381920 0      C-13-H3C(O)CH3
  844574.3326  0.0087 -4.0027 3  389.2781632  595161404392019 2    381920 2      C-13-H3C(O)CH3
  844575.8414  0.0476 -4.6815 3  608.8507760  595161404473216 1    463115 1      C-13-H3C(O)CH3
  844611.4622  0.0073 -4.0026 3  389.2816632  595161404392019 1    381920 1      C-13-H3C(O)CH3
  844614.9081  0.0082 -4.0027 3  417.4785648  595161404402318 0    392019 0      C-13-H3C(O)CH3
  844617.9861  0.0095 -4.3034 3  389.2529316  595161404392019 3    381920 3      C-13-H3C(O)CH3
  844618.3440  0.0095 -4.3034 3  389.2529316  595161404392019 4    381920 4      C-13-H3C(O)CH3
  844644.2145  0.1275 -4.4564 3  905.7623936  595161404583325 1    573424 1      C-13-H3C(O)CH3
  844662.9345  0.0097 -4.0026 3  417.4501648  595161404402318 2    392019 2      C-13-H3C(O)CH3
  844673.4866  0.1803 -4.4564 3  905.7622936  595161404583325 2    573424 2      C-13-H3C(O)CH3
  844683.7298  0.0084 -4.0024 3  417.4548648  595161404402318 1    392019 1      C-13-H3C(O)CH3
  844730.8659  0.0103 -4.3033 3  417.4263324  595161404402318 4    392019 4      C-13-H3C(O)CH3
  844732.8552  0.0102 -4.3033 3  417.4263324  595161404402318 3    392019 3      C-13-H3C(O)CH3
  844786.8767  0.0523 -5.3223 3 1116.3979B28  595161404702150 0    692049 0      C-13-H3C(O)CH3
  844786.8767  0.0523 -5.3223 3 1116.3979B28  595161404702050 0    692149 0      C-13-H3C(O)CH3
  844786.8767  0.0523 -4.3771 3 1116.3979B28  595161404702150 0    692149 0      C-13-H3C(O)CH3
  844786.8767  0.0523 -4.3771 3 1116.3979B28  595161404702050 0    692049 0      C-13-H3C(O)CH3
  844805.3912  0.0068 -4.0027 3  389.3065632  595161404392119 0    381820 0      C-13-H3C(O)CH3
  844820.3043  0.0524 -4.3314 3 1116.4089B28  595161404702150 1    692049 1      C-13-H3C(O)CH3
  844820.3043  0.0524 -4.3314 3 1116.4089B28  595161404702050 1    692149 1      C-13-H3C(O)CH3
  844821.2237  0.0084 -4.0025 3  389.2778632  595161404392119 2    381820 2      C-13-H3C(O)CH3
  844821.6382  0.0533 -4.9248 3 1116.4094B28  595161404702050 2    692149 2      C-13-H3C(O)CH3
  844821.6382  0.0533 -4.4580 3 1116.4094B28  595161404702150 2    692149 2      C-13-H3C(O)CH3
  844821.6382  0.0533 -4.9248 3 1116.4094B28  595161404702150 2    692049 2      C-13-H3C(O)CH3
  844821.6382  0.0533 -4.4580 3 1116.4094B28  595161404702050 2    692049 2      C-13-H3C(O)CH3
  844832.0093  0.7005 -5.6383 3 1266.2747A96  595161404684226 0    674325 0      C-13-H3C(O)CH3
  844851.4478  0.0072 -4.0024 3  389.2813632  595161404392119 1    381820 1      C-13-H3C(O)CH3
  844855.1039  0.0498 -4.6364 3 1116.4204564  595161404702150 3    692149 3      C-13-H3C(O)CH3
  844855.1039  0.0498 -4.6364 3 1116.4204564  595161404702050 3    692049 3      C-13-H3C(O)CH3
  844855.1655  0.0498 -4.6328 3 1116.4204564  595161404702150 4    692149 4      C-13-H3C(O)CH3
  844855.1655  0.0498 -4.6328 3 1116.4204564  595161404702050 4    692049 4      C-13-H3C(O)CH3
  844867.4246  0.0091 -4.3032 3  389.2526316  595161404392119 4    381820 4      C-13-H3C(O)CH3
  844867.5638  0.0091 -4.3032 3  389.2526316  595161404392119 3    381820 3      C-13-H3C(O)CH3
  844964.6815  0.1386 -4.4545 3  905.7566936  595161404583325 0    573424 0      C-13-H3C(O)CH3
  845055.5645  0.0336 -4.3490 3 1195.7735C56  595161404781267 0    771166 0      C-13-H3C(O)CH3
  845055.5645  0.0336 -4.3490 3 1195.7735C56  595161404781167 0    771266 0      C-13-H3C(O)CH3
  845087.8212  0.0451 -4.5062 3 1195.7614C56  595161404781167 2    771166 2      C-13-H3C(O)CH3
  845087.8212  0.0451 -4.8565 3 1195.7614C56  595161404781167 2    771266 2      C-13-H3C(O)CH3
  845087.8212  0.0451 -4.5062 3 1195.7614C56  595161404781267 2    771266 2      C-13-H3C(O)CH3
  845087.8212  0.0451 -4.8565 3 1195.7614C56  595161404781267 2    771166 2      C-13-H3C(O)CH3
  845087.9607  0.0473 -4.5592 3 1195.7616C56  595161404781167 1    771166 1      C-13-H3C(O)CH3
  845087.9607  0.0473 -4.5592 3 1195.7616C56  595161404781267 1    771266 1      C-13-H3C(O)CH3
  845087.9607  0.0473 -4.7570 3 1195.7616C56  595161404781267 1    771166 1      C-13-H3C(O)CH3
  845087.9607  0.0473 -4.7570 3 1195.7616C56  595161404781167 1    771266 1      C-13-H3C(O)CH3
  845111.0423  0.0209 -4.5853 3  367.9916600  595161404372513 1    362214 1      C-13-H3C(O)CH3
  845119.0703  0.0152 -4.7393 3 1226.3350684 -59516140485 482 3    84 481 3      C-13-H3C(O)CH3
  845119.0703  0.0152 -5.5009 3 1226.3350684 -59516140485 382 4    84 481 4      C-13-H3C(O)CH3
  845119.0703  0.0152 -4.6700 3 1226.3350684 -59516140485 482 4    84 481 4      C-13-H3C(O)CH3
  845119.0703  0.0152 -5.2000 3 1226.3350684 -59516140485 382 3    84 481 3      C-13-H3C(O)CH3
  845119.4823  0.0152 -5.5009 3 1226.3350684  59516140485 482 4    84 381 4      C-13-H3C(O)CH3
  845119.4823  0.0152 -4.6700 3 1226.3350684  59516140485 382 4    84 381 4      C-13-H3C(O)CH3
  845119.5153  0.0152 -4.7393 3 1226.3350684  59516140485 382 3    84 381 3      C-13-H3C(O)CH3
  845119.5153  0.0152 -5.2000 3 1226.3350684  59516140485 482 3    84 381 3      C-13-H3C(O)CH3
  845120.2420  0.0392 -4.6496 3 1195.7494628  595161404781167 3    771266 3      C-13-H3C(O)CH3
  845120.2420  0.0392 -4.6496 3 1195.7494628  595161404781267 3    771166 3      C-13-H3C(O)CH3
  845120.2852  0.0392 -4.7457 3 1195.7494628  595161404781267 4    771266 4      C-13-H3C(O)CH3
  845120.2852  0.0392 -5.3386 3 1195.7494628  595161404781267 4    771166 4      C-13-H3C(O)CH3
  845120.2852  0.0392 -4.7457 3 1195.7494628  595161404781167 4    771166 4      C-13-H3C(O)CH3
  845120.2852  0.0392 -5.3386 3 1195.7494628  595161404781167 4    771266 4      C-13-H3C(O)CH3
  845139.5901  0.0199 -4.3290 3 1226.3585D68 -59516140485 382 1    84 381 1      C-13-H3C(O)CH3
  845139.5901  0.0215 -4.7176 3 1226.3581D68 -59516140485 382 2    84 481 2      C-13-H3C(O)CH3
  845139.5901  0.0199 -4.3236 3 1226.3585D68 -59516140485 482 1    84 481 1      C-13-H3C(O)CH3
  845139.5901  0.0215 -4.7176 3 1226.3581D68 -59516140485 482 2    84 381 2      C-13-H3C(O)CH3
  845139.7720  0.0199 -5.7939 3 1226.3585D68  59516140485 482 1    84 381 1      C-13-H3C(O)CH3
  845139.7720  0.0199 -5.6600 3 1226.3585D68  59516140485 382 1    84 481 1      C-13-H3C(O)CH3
  845139.7997  0.0215 -4.5242 3 1226.3581D68  59516140485 482 2    84 481 2      C-13-H3C(O)CH3
  845139.7997  0.0215 -4.5242 3 1226.3581D68  59516140485 382 2    84 381 2      C-13-H3C(O)CH3
  845160.0508  0.0151 -4.3113 3 1226.3816D68  59516140485 382 0    84 481 0      C-13-H3C(O)CH3
  845160.0508  0.0151 -4.3113 3 1226.3816D68  59516140485 482 0    84 381 0      C-13-H3C(O)CH3
  845176.7384  0.0066 -3.6688 3  608.8372760 -595161404473216 0    463115 0      C-13-H3C(O)CH3
  845272.2331  0.0200 -4.5806 3  368.0085600  595161404372513 0    362214 0      C-13-H3C(O)CH3
  845312.5801  0.0659 -4.3679 3  608.8542380  595161404473216 3    463115 3      C-13-H3C(O)CH3
  845445.0313  0.0277 -4.9513 3  367.9589300  595161404372513 4    362214 4      C-13-H3C(O)CH3
  845543.6293  0.0051 -3.4346 3  589.1530728 -595161404453610 0    4435 9 0      C-13-H3C(O)CH3
  845543.6293  0.0051 -3.4346 3  589.1530728 -5951614044536 9 0    443510 0      C-13-H3C(O)CH3
  845587.3499  0.0310 -4.9062 3  367.9593300  595161404372513 3    362214 3      C-13-H3C(O)CH3
  845602.1173  0.0057 -3.4347 3  589.1721728 -5951614044536 9 2    4435 9 2      C-13-H3C(O)CH3
  845603.7340  0.0110 -5.7994 3  208.4888472  595161404291613 2    281316 2      C-13-H3C(O)CH3
  845612.6814  0.0077 -3.7129 3  608.8507760 -595161404473215 1    463115 1      C-13-H3C(O)CH3
  845630.3091  0.0079 -3.6919 3  608.8665760 -595161404473215 2    463115 2      C-13-H3C(O)CH3
  845653.8712  0.0056 -3.4346 3  589.1521728 -595161404453610 2    443510 2      C-13-H3C(O)CH3
  845661.5489  0.0058 -3.4345 3  589.1653728 -5951614044536 9 1    4435 9 1      C-13-H3C(O)CH3
  845670.2720  0.0057 -3.4345 3  589.1342728 -595161404453610 1    443510 1      C-13-H3C(O)CH3
  845676.4317  0.0248 -4.6297 3  367.9759600  595161404372513 2    362214 2      C-13-H3C(O)CH3
  845696.3254  0.0080 -3.7125 3  608.8134760 -595161404473216 1    463116 1      C-13-H3C(O)CH3
  845719.6847  0.0082 -3.7357 3  589.1844364  5951614044536 9 4    4435 9 4      C-13-H3C(O)CH3
  845723.5322  0.0140 -4.1905 3  608.8542380  595161404473215 3    463115 3      C-13-H3C(O)CH3
  845729.0239  0.0075 -3.7357 3  589.1533364  595161404453610 3    443510 3      C-13-H3C(O)CH3
  845748.1894  0.0078 -3.6912 3  608.8163760 -595161404473216 2    463116 2      C-13-H3C(O)CH3
  845771.9955  0.0075 -3.7355 3  589.1645364  5951614044536 9 3    4435 9 3      C-13-H3C(O)CH3
  845777.1486  0.0101 -3.9773 3  608.8855380  595161404473215 4    463115 4      C-13-H3C(O)CH3
  845781.2057  0.0077 -3.7356 3  589.1332364  595161404453610 4    443510 4      C-13-H3C(O)CH3
  845790.4913  0.0521 -5.4340 3 1130.5305B44  595161404712052 0    701951 0      C-13-H3C(O)CH3
  845790.4913  0.0521 -4.3748 3 1130.5305B44  595161404712052 0    702051 0      C-13-H3C(O)CH3
  845790.4913  0.0521 -5.4340 3 1130.5305B44  595161404711952 0    702051 0      C-13-H3C(O)CH3
  845790.4913  0.0521 -4.3748 3 1130.5305B44  595161404711952 0    701951 0      C-13-H3C(O)CH3
  845807.5308  0.0099 -5.7990 3  208.5013472  595161404291613 0    281316 0      C-13-H3C(O)CH3
  845818.1858  0.0231 -5.9660 3  244.4178236  5951614042926 3 4    2823 5 4      C-13-H3C(O)CH3
  845824.6355  0.0521 -4.3396 3 1130.5405B44  595161404711952 1    701951 1      C-13-H3C(O)CH3
  845824.6355  0.0521 -4.3396 3 1130.5405B44  595161404712052 1    702051 1      C-13-H3C(O)CH3
  845825.8065  0.0529 -5.4223 3 1130.5408B44  595161404711952 2    701951 2      C-13-H3C(O)CH3
  845825.8065  0.0529 -4.3758 3 1130.5408B44  595161404711952 2    702051 2      C-13-H3C(O)CH3
  845825.8065  0.0529 -4.4622 3 1130.5408B44  595161404712052 2    702051 2      C-13-H3C(O)CH3
  845825.8065  0.0529 -4.9442 3 1130.5408B44  595161404712052 2    701951 2      C-13-H3C(O)CH3
  845829.3249  0.0113 -5.7990 3  208.4917472  595161404291613 1    281316 1      C-13-H3C(O)CH3
  845859.4633  0.0065 -3.6682 3  608.8215760  595161404473215 0    463116 0      C-13-H3C(O)CH3
  845859.9885  0.0498 -4.6406 3 1130.5508572  595161404712052 3    702051 3      C-13-H3C(O)CH3
  845859.9885  0.0498 -4.6406 3 1130.5508572  595161404711952 3    701951 3      C-13-H3C(O)CH3
  845860.0502  0.0498 -4.9995 3 1130.5508572  595161404712052 4    701951 4      C-13-H3C(O)CH3
  845860.0502  0.0498 -4.8887 3 1130.5508572  595161404712052 4    702051 4      C-13-H3C(O)CH3
  845860.0502  0.0498 -4.9995 3 1130.5508572  595161404711952 4    702051 4      C-13-H3C(O)CH3
  845860.0502  0.0498 -4.8887 3 1130.5508572  595161404711952 4    701951 4      C-13-H3C(O)CH3
  845875.0730  0.0097 -3.9764 3  608.8024380  595161404473216 4    463116 4      C-13-H3C(O)CH3
  845928.4811  0.0130 -4.1899 3  608.8337380  595161404473216 3    463116 3      C-13-H3C(O)CH3
  846088.1538  0.0202 -5.9622 3  244.3921236  5951614042926 4 3    2823 6 3      C-13-H3C(O)CH3
  846215.9718  0.0340 -4.6073 3 1204.9906C72  595161404791069 0    781168 0      C-13-H3C(O)CH3
  846215.9718  0.0340 -4.6983 3 1204.9906C72  595161404791169 0    781168 0      C-13-H3C(O)CH3
  846215.9718  0.0340 -4.6983 3 1204.9906C72  595161404791069 0    781068 0      C-13-H3C(O)CH3
  846215.9718  0.0340 -4.6073 3 1204.9906C72  595161404791169 0    781068 0      C-13-H3C(O)CH3
  846245.0189  0.0494 -4.4309 3 1204.9742C72  595161404791169 2    781168 2      C-13-H3C(O)CH3
  846245.0189  0.0494 -5.1159 3 1204.9742C72  595161404791169 2    781068 2      C-13-H3C(O)CH3
  846245.0189  0.0494 -4.4309 3 1204.9742C72  595161404791069 2    781068 2      C-13-H3C(O)CH3
  846245.0189  0.0494 -5.1159 3 1204.9742C72  595161404791069 2    781168 2      C-13-H3C(O)CH3
  846245.1812  0.0520 -4.3702 3 1204.9744C72  595161404791069 1    781068 1      C-13-H3C(O)CH3
  846245.1812  0.0520 -5.6791 3 1204.9744C72  595161404791069 1    781168 1      C-13-H3C(O)CH3
  846245.1812  0.0520 -5.6791 3 1204.9744C72  595161404791169 1    781068 1      C-13-H3C(O)CH3
  846245.1812  0.0520 -4.3702 3 1204.9744C72  595161404791169 1    781168 1      C-13-H3C(O)CH3
  846274.2492  0.0381 -5.1168 3 1204.9579636  595161404791169 3    781168 3      C-13-H3C(O)CH3
  846274.2492  0.0381 -4.8318 3 1204.9579636  595161404791069 3    781168 3      C-13-H3C(O)CH3
  846274.2492  0.0381 -5.1168 3 1204.9579636  595161404791069 3    781068 3      C-13-H3C(O)CH3
  846274.2492  0.0381 -4.8318 3 1204.9579636  595161404791169 3    781068 3      C-13-H3C(O)CH3
  846274.2838  0.0381 -6.0503 3 1204.9579636  595161404791069 4    781068 4      C-13-H3C(O)CH3
  846274.2838  0.0381 -4.6680 3 1204.9579636  595161404791169 4    781068 4      C-13-H3C(O)CH3
  846274.2838  0.0381 -6.0503 3 1204.9579636  595161404791169 4    781168 4      C-13-H3C(O)CH3
  846274.2838  0.0381 -4.6680 3 1204.9579636  595161404791069 4    781168 4      C-13-H3C(O)CH3
  846291.8644  0.0084 -4.6106 3  263.7892284  595161404351125 4    34 926 4      C-13-H3C(O)CH3
  846291.8644  0.0084 -4.6093 3  263.7892284  595161404351025 4    34 826 4      C-13-H3C(O)CH3
  846292.3814  0.0075 -4.6077 3  263.7892284  595161404351125 3    34 826 3      C-13-H3C(O)CH3
  846292.3814  0.0075 -4.6077 3  263.7892284  595161404351025 3    34 926 3      C-13-H3C(O)CH3
  846329.2231  0.0053 -3.5304 3  597.8487744 -595161404463413 0    453312 0      C-13-H3C(O)CH3
  846330.7996  0.0053 -3.5304 3  597.8486744 -595161404463412 0    453313 0      C-13-H3C(O)CH3
  846339.4332  0.0674 -4.3670 3  608.8337380  595161404473215 3    463116 3      C-13-H3C(O)CH3
  846360.7589  0.0112 -4.6121 3 1231.2674692 -59516140486 284 3    85 283 3      C-13-H3C(O)CH3
  846360.7589  0.0112 -4.6079 3 1231.2675692 -59516140486 284 4    85 283 4      C-13-H3C(O)CH3
  846360.7589  0.0112 -4.6121 3 1231.2674692 -59516140486 384 3    85 383 3      C-13-H3C(O)CH3
  846360.7702  0.0112 -4.6079 3 1231.2675692  59516140486 384 4    85 383 4      C-13-H3C(O)CH3
  846384.2807  0.0166 -4.3617 3 1231.2754D84  59516140486 384 2    85 283 2      C-13-H3C(O)CH3
  846384.2807  0.0166 -5.2288 3 1231.2754D84  59516140486 384 2    85 383 2      C-13-H3C(O)CH3
  846384.2807  0.0166 -5.2288 3 1231.2754D84  59516140486 284 2    85 283 2      C-13-H3C(O)CH3
  846384.2807  0.0166 -4.3617 3 1231.2754D84  59516140486 284 2    85 383 2      C-13-H3C(O)CH3
  846384.4017  0.0137 -4.5046 3 1231.2758D84 -59516140486 384 1    85 283 1      C-13-H3C(O)CH3
  846384.4017  0.0137 -4.5046 3 1231.2758D84 -59516140486 284 1    85 383 1      C-13-H3C(O)CH3
  846384.4129  0.0137 -4.7422 3 1231.2758D84  59516140486 384 1    85 383 1      C-13-H3C(O)CH3
  846384.4129  0.0137 -4.7422 3 1231.2758D84  59516140486 284 1    85 283 1      C-13-H3C(O)CH3
  846389.1085  0.0193 -5.6657 3  244.4383472  5951614042926 3 1    2823 5 1      C-13-H3C(O)CH3
  846403.6122  0.0055 -3.5306 3  597.8813744 -595161404463412 2    453312 2      C-13-H3C(O)CH3
  846407.8897  0.0109 -4.4149 3 1231.2838D84  59516140486 384 0    85 383 0      C-13-H3C(O)CH3
  846407.8897  0.0109 -4.9616 3 1231.2838D84  59516140486 284 0    85 383 0      C-13-H3C(O)CH3
  846408.1965  0.0109 -4.9616 3 1231.2838D84 -59516140486 384 0    85 283 0      C-13-H3C(O)CH3
  846408.1965  0.0109 -4.4149 3 1231.2838D84 -59516140486 284 0    85 283 0      C-13-H3C(O)CH3
  846440.0704  0.0057 -3.5305 3  597.8649744 -595161404463412 1    453312 1      C-13-H3C(O)CH3
  846455.5707  0.0064 -3.5304 3  597.8366744 -595161404463413 1    453313 1      C-13-H3C(O)CH3
  846481.2795  0.0061 -3.5302 3  597.8508744 -595161404463413 2    453313 2      C-13-H3C(O)CH3
  846485.0549  0.0207 -5.9648 3  244.3929236  5951614042926 3 3    2823 5 3      C-13-H3C(O)CH3
  846497.2410  0.0182 -5.6683 3  244.4535472  5951614042926 3 2    2823 5 2      C-13-H3C(O)CH3
  846514.1914  0.0074 -3.8317 3  597.8975372  595161404463412 4    453312 4      C-13-H3C(O)CH3
  846529.2377  0.0743 -4.9829 3  597.8691372  595161404463413 3    453312 3      C-13-H3C(O)CH3
  846530.1164  0.0071 -3.8634 3  597.8691372  595161404463412 3    453312 3      C-13-H3C(O)CH3
  846532.7973  0.0068 -4.9549 3  263.7998568  595161404351025 2    34 926 2      C-13-H3C(O)CH3
  846532.7973  0.0068 -4.4116 3  263.7998568  595161404351125 2    34 926 2      C-13-H3C(O)CH3
  846532.7973  0.0068 -4.9601 3  263.7998568  595161404351125 2    34 826 2      C-13-H3C(O)CH3
  846532.7973  0.0068 -4.4130 3  263.7998568  595161404351025 2    34 826 2      C-13-H3C(O)CH3
  846541.3259  0.0071 -4.3088 3  263.8007568  595161404351125 1    34 826 1      C-13-H3C(O)CH3
  846541.3259  0.0071 -4.3089 3  263.8007568  595161404351025 1    34 926 1      C-13-H3C(O)CH3
  846592.0421  0.0075 -3.8631 3  597.8671372  595161404463413 3    453313 3      C-13-H3C(O)CH3
  846592.9209  0.0751 -4.9826 3  597.8671372  595161404463412 3    453313 3      C-13-H3C(O)CH3
  846607.5513  0.0085 -3.8312 3  597.8386372  595161404463413 4    453313 4      C-13-H3C(O)CH3
  846627.6269  0.0173 -5.9237 3  328.1728284  595161404352412 3    342114 3      C-13-H3C(O)CH3
  846627.8456  0.0148 -5.9319 3  328.1727284  595161404352412 4    342114 4      C-13-H3C(O)CH3
  846695.5233  0.0870 -4.3350 3  872.0269920  595161404573325 0    563224 0      C-13-H3C(O)CH3
  846733.2107  0.0497 -4.6797 3  608.8134760  595161404473215 1    463116 1      C-13-H3C(O)CH3
  846752.4019  0.0224 -5.9611 3  244.3674236  5951614042926 4 4    2823 6 4      C-13-H3C(O)CH3
  846764.6272  0.0191 -5.6646 3  244.4279472  5951614042926 4 2    2823 6 2      C-13-H3C(O)CH3
  846775.4880  0.0133 -5.6170 3  328.1931568  595161404352412 2    342114 2      C-13-H3C(O)CH3
  846781.3157  0.0066 -4.3036 3  263.8113568  595161404351125 0    34 826 0      C-13-H3C(O)CH3
  846781.3157  0.0066 -4.3034 3  263.8113568  595161404351025 0    34 926 0      C-13-H3C(O)CH3
  846821.1190  0.0513 -4.3479 3 1144.1116B60  595161404721854 0    711953 0      C-13-H3C(O)CH3
  846821.1190  0.0513 -4.3479 3 1144.1116B60  595161404721954 0    711853 0      C-13-H3C(O)CH3
  846856.0157  0.0511 -4.7578 3 1144.1203B60  595161404721854 1    711953 1      C-13-H3C(O)CH3
  846856.0157  0.0511 -4.5593 3 1144.1203B60  595161404721854 1    711853 1      C-13-H3C(O)CH3
  846856.0157  0.0511 -4.7578 3 1144.1203B60  595161404721954 1    711853 1      C-13-H3C(O)CH3
  846856.0157  0.0511 -4.5593 3 1144.1203B60  595161404721954 1    711953 1      C-13-H3C(O)CH3
  846857.0080  0.0519 -5.4381 3 1144.1205B60  595161404721854 2    711953 2      C-13-H3C(O)CH3
  846857.0080  0.0519 -4.3829 3 1144.1205B60  595161404721954 2    711953 2      C-13-H3C(O)CH3
  846857.0080  0.0519 -5.4381 3 1144.1205B60  595161404721954 2    711853 2      C-13-H3C(O)CH3
  846857.0080  0.0519 -4.3829 3 1144.1205B60  595161404721854 2    711853 2      C-13-H3C(O)CH3
  846891.9422  0.0495 -4.6481 3 1144.1292580  595161404721854 3    711953 3      C-13-H3C(O)CH3
  846891.9422  0.0495 -4.6481 3 1144.1292580  595161404721954 3    711853 3      C-13-H3C(O)CH3
  846892.0039  0.0495 -4.6544 3 1144.1292580  595161404721954 4    711853 4      C-13-H3C(O)CH3
  846892.0039  0.0495 -4.6499 3 1144.1292580  595161404721854 4    711953 4      C-13-H3C(O)CH3
  846947.9504  0.0381 -5.7062 3  367.9589300  595161404372512 4    362214 4      C-13-H3C(O)CH3
  847008.4708  0.0307 -5.5615 3  367.9759600  595161404372512 2    362214 2      C-13-H3C(O)CH3
  847053.6064  0.0191 -5.6645 3  244.4134472  5951614042926 4 1    2823 6 1      C-13-H3C(O)CH3
  847070.7767  0.0192 -5.6689 3  244.4739472  5951614042926 4 0    2823 5 0      C-13-H3C(O)CH3
  847070.8509  0.0192 -5.6689 3  244.4739472  5951614042926 3 0    2823 6 0      C-13-H3C(O)CH3
  847072.2629  0.0735 -4.3353 3  872.0182920  595161404573325 1    563224 1      C-13-H3C(O)CH3
  847102.4842  0.1006 -4.3353 3  872.0173920  595161404573325 2    563224 2      C-13-H3C(O)CH3
  847134.5500  0.0707 -4.9447 3  608.8163760  595161404473215 2    463116 2      C-13-H3C(O)CH3
  847159.0181  0.0108 -4.6759 3  328.1971568  595161404352411 1    342114 1      C-13-H3C(O)CH3
  847298.0000  0.0105 -4.6773 3  328.2174568  595161404352411 0    342114 0      C-13-H3C(O)CH3
  847306.2665  0.0127 -5.3015 3  627.2680776  595161404483117 1    473017 1      C-13-H3C(O)CH3
  847387.9477  0.0352 -4.4940 3 1213.6734C88 -595161404801071 0    79 970 0      C-13-H3C(O)CH3
  847387.9477  0.0352 -4.9070 3 1213.6734C88 -595161404801071 0    791070 0      C-13-H3C(O)CH3
  847387.9477  0.0352 -4.9070 3 1213.6734C88 -59516140480 971 0    79 970 0      C-13-H3C(O)CH3
  847387.9477  0.0352 -4.4940 3 1213.6734C88 -59516140480 971 0    791070 0      C-13-H3C(O)CH3
  847414.2421  0.0540 -4.3644 3 1213.6525C88  595161404801071 2    79 970 2      C-13-H3C(O)CH3
  847414.2421  0.0540 -5.9055 3 1213.6525C88  595161404801071 2    791070 2      C-13-H3C(O)CH3
  847414.2421  0.0540 -4.3644 3 1213.6525C88  59516140480 971 2    791070 2      C-13-H3C(O)CH3
  847414.2421  0.0540 -5.9055 3 1213.6525C88  59516140480 971 2    79 970 2      C-13-H3C(O)CH3
  847414.3782  0.0567 -4.8464 3 1213.6527C88  595161404801071 1    79 970 1      C-13-H3C(O)CH3
  847414.3782  0.0567 -4.8464 3 1213.6527C88  59516140480 971 1    791070 1      C-13-H3C(O)CH3
  847414.3782  0.0567 -4.5198 3 1213.6527C88  59516140480 971 1    79 970 1      C-13-H3C(O)CH3
  847414.3782  0.0567 -4.5198 3 1213.6527C88  595161404801071 1    791070 1      C-13-H3C(O)CH3
  847422.0337  0.0177 -5.0135 3  627.2692776  595161404483117 2    473017 2      C-13-H3C(O)CH3
  847439.1531  0.0370 -5.6241 3 1213.6318644  595161404801071 3    791070 3      C-13-H3C(O)CH3
  847439.1531  0.0370 -4.7022 3 1213.6318644  59516140480 971 3    791070 3      C-13-H3C(O)CH3
  847439.1531  0.0370 -4.7022 3 1213.6318644  595161404801071 3    79 970 3      C-13-H3C(O)CH3
  847439.1531  0.0370 -5.6241 3 1213.6318644  59516140480 971 3    79 970 3      C-13-H3C(O)CH3
  847439.1766  0.0371 -5.0114 3 1213.6317644  59516140480 971 4    79 970 4      C-13-H3C(O)CH3
  847439.1766  0.0371 -5.0114 3 1213.6317644  595161404801071 4    791070 4      C-13-H3C(O)CH3
  847439.1766  0.0371 -4.9035 3 1213.6317644  59516140480 971 4    791070 4      C-13-H3C(O)CH3
  847439.1766  0.0371 -4.9035 3 1213.6317644  595161404801071 4    79 970 4      C-13-H3C(O)CH3
  847452.1022  0.0184 -5.0291 3  328.1728284  595161404352411 3    342114 3      C-13-H3C(O)CH3
  847454.1472  0.0210 -5.0280 3  328.1727284  595161404352411 4    342114 4      C-13-H3C(O)CH3
  847481.8448  0.0797 -4.6367 3  872.0085460  595161404573325 4    563224 4      C-13-H3C(O)CH3
  847488.7471  0.0816 -4.6367 3  872.0083460  595161404573325 3    563224 3      C-13-H3C(O)CH3
  847598.2784  0.0172 -4.7305 3  328.1931568  595161404352411 2    342114 2      C-13-H3C(O)CH3
  847609.5119  0.4465 -5.8787 3 1381.6002B44  595161404714428 1    704525 1      C-13-H3C(O)CH3
  847618.9560  0.0118 -4.6146 3 1235.6804700  59516140487 286 3    86 285 3      C-13-H3C(O)CH3
  847618.9560  0.0118 -4.6146 3 1235.6804700  59516140487 186 3    86 185 3      C-13-H3C(O)CH3
  847618.9776  0.0118 -4.6518 3 1235.6804700  59516140487 186 4    86 285 4      C-13-H3C(O)CH3
  847618.9776  0.0118 -4.6518 3 1235.6804700  59516140487 286 4    86 185 4      C-13-H3C(O)CH3
  847618.9776  0.0118 -5.5841 3 1235.6804700  59516140487 286 4    86 285 4      C-13-H3C(O)CH3
  847618.9776  0.0118 -5.5841 3 1235.6804700  59516140487 186 4    86 185 4      C-13-H3C(O)CH3
  847638.3637  0.0192 -4.5012 3 1235.6617E00  59516140487 286 2    86 185 2      C-13-H3C(O)CH3
  847638.3637  0.0192 -4.7383 3 1235.6617E00  59516140487 286 2    86 285 2      C-13-H3C(O)CH3
  847638.3637  0.0192 -4.7564 3 1235.6617E00  59516140487 186 2    86 185 2      C-13-H3C(O)CH3
  847638.3637  0.0192 -4.4910 3 1235.6617E00  59516140487 186 2    86 285 2      C-13-H3C(O)CH3
  847638.4136  0.0151 -5.4615 3 1235.6622E00 -59516140487 286 1    86 185 1      C-13-H3C(O)CH3
  847638.4136  0.0151 -4.3339 3 1235.6622E00 -59516140487 186 1    86 185 1      C-13-H3C(O)CH3
  847638.5558  0.0151 -4.3339 3 1235.6622E00  59516140487 286 1    86 285 1      C-13-H3C(O)CH3
  847638.5558  0.0151 -5.4615 3 1235.6622E00  59516140487 186 1    86 285 1      C-13-H3C(O)CH3
  847657.8976  0.0115 -4.3192 3 1235.6435E00 -59516140487 186 0    86 185 0      C-13-H3C(O)CH3
  847657.8976  0.0115 -4.3192 3 1235.6435E00 -59516140487 286 0    86 285 0      C-13-H3C(O)CH3
  847657.8976  0.0115 -5.7307 3 1235.6435E00 -59516140487 186 0    86 285 0      C-13-H3C(O)CH3
  847657.8976  0.0115 -5.7307 3 1235.6435E00 -59516140487 286 0    86 185 0      C-13-H3C(O)CH3
  847719.8210  0.0242 -4.8989 3  627.2692388  595161404483117 4    473017 4      C-13-H3C(O)CH3
  847743.6234  0.5033 -5.8772 3 1381.5900B44  595161404714428 2    704525 2      C-13-H3C(O)CH3
  847874.7309  0.0497 -4.8689 3 1157.1445B76  595161404731756 0    721755 0      C-13-H3C(O)CH3
  847874.7309  0.0497 -4.5120 3 1157.1445B76  595161404731856 0    721755 0      C-13-H3C(O)CH3
  847874.7309  0.0497 -4.5120 3 1157.1445B76  595161404731756 0    721855 0      C-13-H3C(O)CH3
  847874.7309  0.0497 -4.8689 3 1157.1445B76  595161404731856 0    721855 0      C-13-H3C(O)CH3
  847910.3384  0.0494 -4.5578 3 1157.1516B76  595161404731856 1    721755 1      C-13-H3C(O)CH3
  847910.3384  0.0494 -4.7798 3 1157.1516B76  595161404731856 1    721855 1      C-13-H3C(O)CH3
  847910.3384  0.0494 -4.7798 3 1157.1516B76  595161404731756 1    721755 1      C-13-H3C(O)CH3
  847910.3384  0.0494 -4.5578 3 1157.1516B76  595161404731756 1    721855 1      C-13-H3C(O)CH3
  847911.1393  0.0502 -4.5468 3 1157.1517B76  595161404731756 2    721855 2      C-13-H3C(O)CH3
  847911.1393  0.0502 -4.5468 3 1157.1517B76  595161404731856 2    721755 2      C-13-H3C(O)CH3
  847911.1393  0.0502 -4.7988 3 1157.1517B76  595161404731856 2    721855 2      C-13-H3C(O)CH3
  847911.1393  0.0502 -4.7988 3 1157.1517B76  595161404731756 2    721755 2      C-13-H3C(O)CH3
  847929.6900  0.0121 -4.8576 3  228.0460276  59516140434 727 4    33 628 4      C-13-H3C(O)CH3
  847929.6900  0.0121 -4.8576 3  228.0460276  59516140434 827 4    33 528 4      C-13-H3C(O)CH3
  847930.1088  0.0106 -4.8646 3  228.0459276  59516140434 727 3    33 528 3      C-13-H3C(O)CH3
  847930.1088  0.0106 -4.8646 3  228.0459276  59516140434 827 3    33 628 3      C-13-H3C(O)CH3
  847946.7837  0.0489 -4.7239 3 1157.1587588  595161404731856 3    721755 3      C-13-H3C(O)CH3
  847946.7837  0.0489 -5.4865 3 1157.1587588  595161404731856 3    721855 3      C-13-H3C(O)CH3
  847946.7837  0.0489 -4.7239 3 1157.1587588  595161404731756 3    721855 3      C-13-H3C(O)CH3
  847946.7837  0.0489 -5.4865 3 1157.1587588  595161404731756 3    721755 3      C-13-H3C(O)CH3
  847946.8451  0.0489 -5.3746 3 1157.1587588  595161404731856 4    721855 4      C-13-H3C(O)CH3
  847946.8451  0.0489 -5.3746 3 1157.1587588  595161404731756 4    721755 4      C-13-H3C(O)CH3
  847946.8451  0.0489 -4.7466 3 1157.1587588  595161404731856 4    721755 4      C-13-H3C(O)CH3
  847946.8451  0.0489 -4.7466 3 1157.1587588  595161404731756 4    721855 4      C-13-H3C(O)CH3
  848004.6013  0.4111 -5.8772 3 1381.5637B44  595161404714428 0    704525 0      C-13-H3C(O)CH3
  848269.2451  0.0908 -5.7035 3  608.8024380  595161404473215 4    463116 4      C-13-H3C(O)CH3
  848330.6894  0.0375 -4.3117 3  991.2779A00  595161404622933 0    613032 0      C-13-H3C(O)CH3
  848330.7542  0.0375 -4.3117 3  991.2779A00  595161404623033 0    612932 0      C-13-H3C(O)CH3
  848336.2337  0.0061 -3.2898 3  585.2961696 -5951614044341 2 0    4240 2 0      C-13-H3C(O)CH3
  848336.2337  0.0061 -3.2898 3  585.2961696 -5951614044341 3 0    4240 3 0      C-13-H3C(O)CH3
  848351.2959  0.0407 -4.3123 3 1010.7424A16  595161404632835 0    622934 0      C-13-H3C(O)CH3
  848351.2971  0.0407 -4.3123 3 1010.7424A16  595161404632935 0    622834 0      C-13-H3C(O)CH3
  848355.2350  0.0088 -4.6144 3  228.0378552  59516140434 727 2    33 528 2      C-13-H3C(O)CH3
  848355.2350  0.0088 -5.3777 3  228.0378552  59516140434 827 2    33 528 2      C-13-H3C(O)CH3
  848355.2350  0.0088 -5.3777 3  228.0378552  59516140434 727 2    33 628 2      C-13-H3C(O)CH3
  848355.2350  0.0088 -4.6144 3  228.0378552  59516140434 827 2    33 628 2      C-13-H3C(O)CH3
  848361.0739  0.0095 -4.6403 3  228.0384552  59516140434 727 1    33 528 1      C-13-H3C(O)CH3
  848361.0739  0.0095 -5.2528 3  228.0384552  59516140434 727 1    33 628 1      C-13-H3C(O)CH3
  848361.0739  0.0095 -5.2528 3  228.0384552  59516140434 827 1    33 528 1      C-13-H3C(O)CH3
  848361.0739  0.0095 -4.6403 3  228.0384552  59516140434 827 1    33 628 1      C-13-H3C(O)CH3
  848368.1485  0.0381 -4.3118 3  991.2893A00  595161404622933 1    613032 1      C-13-H3C(O)CH3
  848368.2256  0.0381 -4.3118 3  991.2893A00  595161404623033 1    612932 1      C-13-H3C(O)CH3
  848371.6441  0.0406 -4.3118 3  991.2905A00  595161404622933 2    613032 2      C-13-H3C(O)CH3
  848371.7159  0.0405 -4.3118 3  991.2905A00  595161404623033 2    612932 2      C-13-H3C(O)CH3
  848385.5273  0.0412 -4.3124 3 1010.7549A16  595161404632835 1    622934 1      C-13-H3C(O)CH3
  848385.5288  0.0412 -4.3124 3 1010.7549A16  595161404632935 1    622834 1      C-13-H3C(O)CH3
  848388.3482  0.0434 -4.3124 3 1010.7561A16  595161404632835 2    622934 2      C-13-H3C(O)CH3
  848388.3495  0.0434 -4.3124 3 1010.7561A16  595161404632935 2    622834 2      C-13-H3C(O)CH3
  848409.1596  0.0401 -4.6129 3  991.3020500  595161404622933 3    613032 3      C-13-H3C(O)CH3
  848409.2314  0.0401 -4.6129 3  991.3020500  595161404622933 4    613032 4      C-13-H3C(O)CH3
  848409.2449  0.0401 -4.6129 3  991.3020500  595161404623033 3    612932 3      C-13-H3C(O)CH3
  848409.3161  0.0401 -4.6129 3  991.3020500  595161404623033 4    612932 4      C-13-H3C(O)CH3
  848422.6279  0.0423 -4.6134 3 1010.7685508  595161404632835 3    622934 3      C-13-H3C(O)CH3
  848422.6296  0.0423 -4.6134 3 1010.7685508  595161404632935 3    622834 3      C-13-H3C(O)CH3
  848422.6931  0.0423 -4.6134 3 1010.7686508  595161404632835 4    622934 4      C-13-H3C(O)CH3
  848422.6948  0.0423 -4.6134 3 1010.7686508  595161404632935 4    622834 4      C-13-H3C(O)CH3
  848467.8209  0.0544 -4.3422 3  900.1205936  595161404583326 0    573225 0      C-13-H3C(O)CH3
  848478.6378  0.0067 -3.2896 3  585.2562696 -5951614044341 3 2    4240 3 2      C-13-H3C(O)CH3
  848499.4981  0.0073 -3.2896 3  585.3071696 -5951614044341 2 2    4240 2 2      C-13-H3C(O)CH3
  848506.8167  0.0067 -3.2896 3  585.3343696 -5951614044341 2 1    4240 2 1      C-13-H3C(O)CH3
  848564.0055  0.0066 -3.2895 3  585.2693696 -5951614044341 3 1    4240 3 1      C-13-H3C(O)CH3
  848576.0069  0.0366 -4.4758 3 1221.8227D04  59516140481 873 0    80 972 0      C-13-H3C(O)CH3
  848576.0069  0.0366 -4.9664 3 1221.8227D04  59516140481 973 0    80 972 0      C-13-H3C(O)CH3
  848576.0069  0.0366 -4.4758 3 1221.8227D04  59516140481 973 0    80 872 0      C-13-H3C(O)CH3
  848576.0069  0.0366 -4.9664 3 1221.8227D04  59516140481 873 0    80 872 0      C-13-H3C(O)CH3
  848595.2800  0.0576 -4.7531 3 1221.7975D04  59516140481 973 2    80 972 2      C-13-H3C(O)CH3
  848595.2800  0.0576 -4.7531 3 1221.7975D04  59516140481 873 2    80 872 2      C-13-H3C(O)CH3
  848595.2800  0.0576 -4.5753 3 1221.7975D04  59516140481 873 2    80 972 2      C-13-H3C(O)CH3
  848595.2800  0.0576 -4.5753 3 1221.7975D04  59516140481 973 2    80 872 2      C-13-H3C(O)CH3
  848595.3486  0.0601 -4.3984 3 1221.7976D04  59516140481 873 1    80 872 1      C-13-H3C(O)CH3
  848595.3486  0.0601 -5.3683 3 1221.7976D04  59516140481 973 1    80 872 1      C-13-H3C(O)CH3
  848595.3486  0.0601 -4.3984 3 1221.7976D04  59516140481 973 1    80 972 1      C-13-H3C(O)CH3
  848595.3486  0.0601 -5.3683 3 1221.7976D04  59516140481 873 1    80 972 1      C-13-H3C(O)CH3
  848614.6356  0.0357 -5.7560 3 1221.7723652  59516140481 873 3    80 872 3      C-13-H3C(O)CH3
  848614.6356  0.0357 -5.7824 3 1221.7723652  59516140481 973 3    80 972 3      C-13-H3C(O)CH3
  848614.6356  0.0357 -4.6910 3 1221.7723652  59516140481 973 3    80 872 3      C-13-H3C(O)CH3
  848614.6356  0.0357 -4.6888 3 1221.7723652  59516140481 873 3    80 972 3      C-13-H3C(O)CH3
  848614.6456  0.0358 -4.6561 3 1221.7723652  59516140481 973 4    80 972 4      C-13-H3C(O)CH3
  848614.6456  0.0358 -4.6561 3 1221.7723652  59516140481 873 4    80 872 4      C-13-H3C(O)CH3
  848648.6145  0.0102 -3.5905 3  585.2944348  5951614044341 2 3    4240 2 3      C-13-H3C(O)CH3
  848667.0087  0.0437 -4.3159 3 1029.5549A32  595161404642837 0    632736 0      C-13-H3C(O)CH3
  848667.0087  0.0437 -4.3159 3 1029.5549A32  595161404642737 0    632836 0      C-13-H3C(O)CH3
  848670.0616  0.0112 -3.5905 3  585.3452348  5951614044341 2 4    4240 2 4      C-13-H3C(O)CH3
  848685.7411  0.0463 -4.3425 3  900.1184936  595161404583326 1    573225 1      C-13-H3C(O)CH3
  848697.0515  0.0549 -4.3425 3  900.1187936  595161404583326 2    573225 2      C-13-H3C(O)CH3
  848699.1818  0.0443 -4.3160 3 1029.5681A32  595161404642837 1    632736 1      C-13-H3C(O)CH3
  848699.1818  0.0443 -4.3160 3 1029.5681A32  595161404642737 1    632836 1      C-13-H3C(O)CH3
  848701.6067  0.0462 -4.3160 3 1029.5692A32  595161404642837 2    632736 2      C-13-H3C(O)CH3
  848701.6067  0.0462 -4.3160 3 1029.5692A32  595161404642737 2    632836 2      C-13-H3C(O)CH3
  848705.6304  0.0104 -3.5903 3  585.2295348  5951614044341 3 4    4240 3 4      C-13-H3C(O)CH3
  848726.6006  0.0105 -3.5903 3  585.2802348  5951614044341 3 3    4240 3 3      C-13-H3C(O)CH3
  848733.8233  0.0444 -4.6170 3 1029.5824516  595161404642737 3    632836 3      C-13-H3C(O)CH3
  848733.8233  0.0444 -4.6170 3 1029.5824516  595161404642837 3    632736 3      C-13-H3C(O)CH3
  848733.8848  0.0444 -4.6170 3 1029.5824516  595161404642837 4    632736 4      C-13-H3C(O)CH3
  848733.8848  0.0444 -4.6170 3 1029.5824516  595161404642737 4    632836 4      C-13-H3C(O)CH3
  848758.3030  0.0131 -5.4199 3  251.3051504  595161404312111 1    301614 1      C-13-H3C(O)CH3
  848771.8960  0.0344 -4.3159 3  971.1198984  595161404613031 0    603130 0      C-13-H3C(O)CH3
  848774.7113  0.0344 -4.3159 3  971.1197984  595161404613131 0    603030 0      C-13-H3C(O)CH3
  848777.3158  0.0181 -5.3043 3  191.6674268  59516140433 429 3    32 230 3      C-13-H3C(O)CH3
  848777.3158  0.0181 -5.4023 3  191.6674268  59516140433 429 3    32 330 3      C-13-H3C(O)CH3
  848777.3158  0.0181 -5.9879 3  191.6674268  59516140433 529 3    32 330 3      C-13-H3C(O)CH3
  848777.4630  0.0200 -5.3981 3  191.6675268  59516140433 429 4    32 230 4      C-13-H3C(O)CH3
  848777.4630  0.0200 -6.0044 3  191.6675268  59516140433 529 4    32 230 4      C-13-H3C(O)CH3
  848777.4630  0.0200 -5.5165 3  191.6675268  59516140433 529 4    32 330 4      C-13-H3C(O)CH3
  848777.4630  0.0200 -5.7112 3  191.6675268  59516140433 429 4    32 330 4      C-13-H3C(O)CH3
  848785.3672  0.0085 -4.8559 3  228.0302552  59516140434 827 0    33 628 0      C-13-H3C(O)CH3
  848785.3672  0.0085 -4.8360 3  228.0302552  59516140434 827 0    33 528 0      C-13-H3C(O)CH3
  848785.3672  0.0085 -4.8360 3  228.0302552  59516140434 727 0    33 628 0      C-13-H3C(O)CH3
  848785.3672  0.0085 -4.8559 3  228.0302552  59516140434 727 0    33 528 0      C-13-H3C(O)CH3
  848786.0518  0.0148 -5.7226 3  251.2839252  595161404312111 4    301614 4      C-13-H3C(O)CH3
  848804.1588  0.0136 -5.7211 3  251.2837252  595161404312111 3    301614 3      C-13-H3C(O)CH3
  848814.4261  0.0350 -4.3160 3  971.1297984  595161404613031 1    603130 1      C-13-H3C(O)CH3
  848817.5889  0.0350 -4.3160 3  971.1296984  595161404613131 1    603030 1      C-13-H3C(O)CH3
  848819.1625  0.0377 -4.3160 3  971.1309984  595161404613031 2    603130 2      C-13-H3C(O)CH3
  848822.2133  0.0376 -4.3160 3  971.1308984  595161404613131 2    603030 2      C-13-H3C(O)CH3
  848861.7537  0.0377 -4.6171 3  971.1409492  595161404613031 3    603130 3      C-13-H3C(O)CH3
  848861.8439  0.0377 -4.6171 3  971.1409492  595161404613031 4    603130 4      C-13-H3C(O)CH3
  848865.1798  0.0376 -4.6171 3  971.1408492  595161404613131 3    603030 3      C-13-H3C(O)CH3
  848865.2566  0.0376 -4.6171 3  971.1408492  595161404613131 4    603030 4      C-13-H3C(O)CH3
  848898.1115  0.0199 -4.8485 3 1239.5782708  59516140488 188 4    87 187 4      C-13-H3C(O)CH3
  848898.1115  0.0199 -4.9594 3 1239.5782708  59516140488 088 4    87 187 4      C-13-H3C(O)CH3
  848898.1154  0.0199 -4.9594 3 1239.5782708 -59516140488 188 4    87 087 4      C-13-H3C(O)CH3
  848898.1154  0.0199 -4.8485 3 1239.5782708 -59516140488 088 4    87 087 4      C-13-H3C(O)CH3
  848898.1154  0.0199 -4.6155 3 1239.5782708 -59516140488 188 3    87 087 3      C-13-H3C(O)CH3
  848898.1154  0.0199 -6.0375 3 1239.5782708 -59516140488 088 3    87 087 3      C-13-H3C(O)CH3
  848898.1333  0.0199 -4.6155 3 1239.5782708  59516140488 088 3    87 187 3      C-13-H3C(O)CH3
  848898.1333  0.0199 -6.0375 3 1239.5782708  59516140488 188 3    87 187 3      C-13-H3C(O)CH3
  848900.5563  0.0330 -4.2989 3 1239.5162E16 -59516140488 188 2    87 187 2      C-13-H3C(O)CH3
  848900.5563  0.0243 -4.3026 3 1239.5164E16 -59516140488 088 1    87 187 1      C-13-H3C(O)CH3
  848900.5563  0.0243 -4.3026 3 1239.5164E16 -59516140488 188 1    87 087 1      C-13-H3C(O)CH3
  848900.5563  0.0330 -4.3029 3 1239.5162E16 -59516140488 088 2    87 087 2      C-13-H3C(O)CH3
  848903.0081  0.0211 -4.4222 3 1239.4545E16 -59516140488 088 0    87 087 0      C-13-H3C(O)CH3
  848903.0081  0.0211 -4.9025 3 1239.4545E16 -59516140488 188 0    87 087 0      C-13-H3C(O)CH3
  848903.0189  0.0211 -4.9025 3 1239.4545E16  59516140488 088 0    87 187 0      C-13-H3C(O)CH3
  848903.0189  0.0211 -4.4222 3 1239.4545E16  59516140488 188 0    87 187 0      C-13-H3C(O)CH3
  848917.4679  0.0402 -4.6438 3  900.1165468  595161404583326 4    573225 4      C-13-H3C(O)CH3
  848920.4929  0.0413 -4.6438 3  900.1164468  595161404583326 3    573225 3      C-13-H3C(O)CH3
  848948.3290  0.0476 -5.2471 3 1169.6320B92  595161404741658 0    731757 0      C-13-H3C(O)CH3
  848948.3290  0.0476 -4.4212 3 1169.6320B92  595161404741658 0    731657 0      C-13-H3C(O)CH3
  848948.3290  0.0476 -4.4212 3 1169.6320B92  595161404741758 0    731757 0      C-13-H3C(O)CH3
  848948.3290  0.0476 -5.2471 3 1169.6320B92  595161404741758 0    731657 0      C-13-H3C(O)CH3
  848984.5153  0.0475 -4.3609 3 1169.6370B92  595161404741758 1    731657 1      C-13-H3C(O)CH3
  848984.5153  0.0475 -4.3609 3 1169.6370B92  595161404741658 1    731757 1      C-13-H3C(O)CH3
  848985.1183  0.0481 -4.7097 3 1169.6371B92  595161404741758 2    731657 2      C-13-H3C(O)CH3
  848985.1183  0.0481 -4.6187 3 1169.6371B92  595161404741758 2    731757 2      C-13-H3C(O)CH3
  848985.1183  0.0481 -4.6187 3 1169.6371B92  595161404741658 2    731657 2      C-13-H3C(O)CH3
  848985.1183  0.0481 -4.7097 3 1169.6371B92  595161404741658 2    731757 2      C-13-H3C(O)CH3
  849021.3408  0.0480 -4.7610 3 1169.6422596  595161404741658 3    731757 3      C-13-H3C(O)CH3
  849021.3408  0.0480 -5.0143 3 1169.6422596  595161404741758 3    731657 3      C-13-H3C(O)CH3
  849021.3408  0.0480 -5.3520 3 1169.6422596  595161404741658 3    731657 3      C-13-H3C(O)CH3
  849021.3408  0.0480 -4.9169 3 1169.6422596  595161404741758 3    731757 3      C-13-H3C(O)CH3
  849021.4016  0.0480 -4.7262 3 1169.6422596  595161404741658 4    731757 4      C-13-H3C(O)CH3
  849021.4016  0.0480 -5.5224 3 1169.6422596  595161404741658 4    731657 4      C-13-H3C(O)CH3
  849021.4016  0.0480 -4.7262 3 1169.6422596  595161404741758 4    731657 4      C-13-H3C(O)CH3
  849021.4016  0.0480 -5.5224 3 1169.6422596  595161404741758 4    731757 4      C-13-H3C(O)CH3
  849119.4125  0.0123 -5.4132 3  251.3187504  595161404312111 0    301614 0      C-13-H3C(O)CH3
  849164.6056  0.0121 -5.4142 3  251.2974504  595161404312111 2    301614 2      C-13-H3C(O)CH3
  849182.1895  0.0467 -4.3215 3 1047.7432A48  595161404652739 0    642638 0      C-13-H3C(O)CH3
  849182.1895  0.0467 -4.3217 3 1047.7432A48  595161404652639 0    642738 0      C-13-H3C(O)CH3
  849213.0902  0.0472 -4.3215 3 1047.7567A48  595161404652639 1    642738 1      C-13-H3C(O)CH3
  849213.0902  0.0472 -4.3218 3 1047.7567A48  595161404652739 1    642638 1      C-13-H3C(O)CH3
  849215.2718  0.0489 -4.3245 3 1047.7578A48  595161404652739 2    642638 2      C-13-H3C(O)CH3
  849215.2718  0.0489 -4.3245 3 1047.7578A48  595161404652639 2    642738 2      C-13-H3C(O)CH3
  849221.5617  0.6831 -5.3435 3 1044.9984500  595161404623725 3    613824 3      C-13-H3C(O)CH3
  849246.2133  0.0464 -4.6225 3 1047.7714524  595161404652639 3    642738 3      C-13-H3C(O)CH3
  849246.2133  0.0464 -4.6226 3 1047.7714524  595161404652739 3    642638 3      C-13-H3C(O)CH3
  849246.2727  0.0464 -4.6225 3 1047.7714524  595161404652639 4    642738 4      C-13-H3C(O)CH3
  849246.2727  0.0464 -4.6225 3 1047.7714524  595161404652739 4    642638 4      C-13-H3C(O)CH3
  849294.0155  0.6424 -5.3452 3 1044.9964500  595161404623725 4    613824 4      C-13-H3C(O)CH3
  849460.6336  0.0201 -5.0261 3  191.6282536  59516140433 529 2    32 230 2      C-13-H3C(O)CH3
  849460.6336  0.0201 -5.0261 3  191.6282536  59516140433 429 2    32 330 2      C-13-H3C(O)CH3
  849463.5276  0.0214 -5.0338 3  191.6286536  59516140433 429 1    32 230 1      C-13-H3C(O)CH3
  849463.5276  0.0214 -5.0338 3  191.6286536  59516140433 529 1    32 330 1      C-13-H3C(O)CH3
  849571.0645  0.0070 -4.3918 3  326.9875300  595161404371522 4    361423 4      C-13-H3C(O)CH3
  849571.0793  0.0070 -4.3918 3  326.9875300  595161404371622 4    361323 4      C-13-H3C(O)CH3
  849571.3746  0.0068 -4.3918 3  326.9875300  595161404371522 3    361423 3      C-13-H3C(O)CH3
  849571.3895  0.0068 -4.3918 3  326.9875300  595161404371622 3    361323 3      C-13-H3C(O)CH3
  849617.6239  0.0065 -4.0909 3  327.0119600  595161404371522 2    361423 2      C-13-H3C(O)CH3
  849617.6383  0.0065 -4.0909 3  327.0119600  595161404371622 2    361323 2      C-13-H3C(O)CH3
  849631.4603  0.0065 -4.0909 3  327.0138600  595161404371522 1    361423 1      C-13-H3C(O)CH3
  849631.4739  0.0065 -4.0909 3  327.0138600  595161404371622 1    361323 1      C-13-H3C(O)CH3
  849677.6666  0.0057 -4.0909 3  327.0382600  595161404371522 0    361423 0      C-13-H3C(O)CH3
  849677.6798  0.0057 -4.0909 3  327.0382600  595161404371622 0    361323 0      C-13-H3C(O)CH3
  849775.4581  0.0370 -4.6560 3 1229.4392D20  59516140482 875 0    81 874 0      C-13-H3C(O)CH3
  849775.4581  0.0370 -4.6571 3 1229.4392D20  59516140482 775 0    81 874 0      C-13-H3C(O)CH3
  849775.4581  0.0370 -4.6560 3 1229.4392D20  59516140482 775 0    81 774 0      C-13-H3C(O)CH3
  849775.4581  0.0370 -4.6571 3 1229.4392D20  59516140482 875 0    81 774 0      C-13-H3C(O)CH3
  849787.9889  0.0608 -5.4316 3 1229.4101D20  59516140482 875 1    81 774 1      C-13-H3C(O)CH3
  849787.9889  0.0608 -5.4316 3 1229.4101D20  59516140482 775 1    81 874 1      C-13-H3C(O)CH3
  849787.9889  0.0608 -4.3935 3 1229.4101D20  59516140482 775 1    81 774 1      C-13-H3C(O)CH3
  849787.9889  0.0608 -4.3935 3 1229.4101D20  59516140482 875 1    81 874 1      C-13-H3C(O)CH3
  849788.0119  0.0587 -5.1252 3 1229.4100D20  59516140482 875 2    81 774 2      C-13-H3C(O)CH3
  849788.0119  0.0587 -4.4364 3 1229.4100D20  59516140482 875 2    81 874 2      C-13-H3C(O)CH3
  849788.0119  0.0587 -5.1252 3 1229.4100D20  59516140482 775 2    81 874 2      C-13-H3C(O)CH3
  849788.0119  0.0587 -4.4364 3 1229.4100D20  59516140482 775 2    81 774 2      C-13-H3C(O)CH3
  849800.5486  0.0339 -4.6698 3 1229.3808660  59516140482 875 4    81 774 4      C-13-H3C(O)CH3
  849800.5486  0.0339 -4.6698 3 1229.3808660  59516140482 775 4    81 874 4      C-13-H3C(O)CH3
  849800.5543  0.0339 -5.1983 3 1229.3808660  59516140482 775 3    81 874 3      C-13-H3C(O)CH3
  849800.5543  0.0339 -4.8034 3 1229.3808660  59516140482 875 3    81 874 3      C-13-H3C(O)CH3
  849800.5543  0.0339 -4.8034 3 1229.3808660  59516140482 775 3    81 774 3      C-13-H3C(O)CH3
  849800.5543  0.0339 -5.1983 3 1229.3808660  59516140482 875 3    81 774 3      C-13-H3C(O)CH3
  849838.0972  0.0494 -4.3359 3 1065.3268A64  595161404662541 0    652640 0      C-13-H3C(O)CH3
  849838.0972  0.0494 -6.0915 3 1065.3268A64  595161404662641 0    652640 0      C-13-H3C(O)CH3
  849838.0972  0.0494 -6.0915 3 1065.3268A64  595161404662541 0    652540 0      C-13-H3C(O)CH3
  849838.0972  0.0494 -4.3359 3 1065.3268A64  595161404662641 0    652540 0      C-13-H3C(O)CH3
  849868.3010  0.0500 -4.4315 3 1065.3406A64  595161404662641 1    652640 1      C-13-H3C(O)CH3
  849868.3010  0.0500 -4.4315 3 1065.3406A64  595161404662541 1    652540 1      C-13-H3C(O)CH3
  849868.3010  0.0500 -5.0033 3 1065.3406A64  595161404662641 1    652540 1      C-13-H3C(O)CH3
  849868.3010  0.0500 -5.0033 3 1065.3406A64  595161404662541 1    652640 1      C-13-H3C(O)CH3
  849870.3215  0.0514 -4.3284 3 1065.3416A64  595161404662641 2    652640 2      C-13-H3C(O)CH3
  849870.3215  0.0514 -4.3284 3 1065.3416A64  595161404662541 2    652540 2      C-13-H3C(O)CH3
  849900.5644  0.0482 -4.6415 3 1065.3554532  595161404662541 3    652640 3      C-13-H3C(O)CH3
  849900.5644  0.0482 -4.6415 3 1065.3554532  595161404662641 3    652540 3      C-13-H3C(O)CH3
  849900.6225  0.0482 -5.8974 3 1065.3554532  595161404662641 4    652540 4      C-13-H3C(O)CH3
  849900.6225  0.0482 -4.6535 3 1065.3554532  595161404662641 4    652640 4      C-13-H3C(O)CH3
  849900.6225  0.0482 -4.6535 3 1065.3554532  595161404662541 4    652540 4      C-13-H3C(O)CH3
  849900.6225  0.0482 -5.8974 3 1065.3554532  595161404662541 4    652640 4      C-13-H3C(O)CH3
  849964.9240  0.0316 -4.3281 3  950.2019968  595161404603129 0    593228 0      C-13-H3C(O)CH3
  850013.3688  0.0322 -4.3283 3  950.2097968  595161404603129 1    593228 1      C-13-H3C(O)CH3
  850021.0562  0.0352 -4.3282 3  950.2108968  595161404603129 2    593228 2      C-13-H3C(O)CH3
  850039.6911  0.0450 -4.4073 3 1181.5764C08  595161404751560 0    741559 0      C-13-H3C(O)CH3
  850039.6911  0.0450 -5.4245 3 1181.5764C08  595161404751660 0    741559 0      C-13-H3C(O)CH3
  850039.6911  0.0450 -4.4073 3 1181.5764C08  595161404751660 0    741659 0      C-13-H3C(O)CH3
  850039.6911  0.0450 -5.4245 3 1181.5764C08  595161404751560 0    741659 0      C-13-H3C(O)CH3
  850057.1006  0.0314 -4.3280 3  950.1995968  595161404603229 0    593128 0      C-13-H3C(O)CH3
  850069.3974  0.0358 -4.6295 3  950.2186484  595161404603129 3    593228 3      C-13-H3C(O)CH3
  850069.6225  0.0357 -4.6295 3  950.2186484  595161404603129 4    593228 4      C-13-H3C(O)CH3
  850076.2192  0.0455 -4.4712 3 1181.5791C08  595161404751560 1    741559 1      C-13-H3C(O)CH3
  850076.2192  0.0455 -5.0399 3 1181.5791C08  595161404751560 1    741659 1      C-13-H3C(O)CH3
  850076.2192  0.0455 -5.0399 3 1181.5791C08  595161404751660 1    741559 1      C-13-H3C(O)CH3
  850076.2192  0.0455 -4.4712 3 1181.5791C08  595161404751660 1    741659 1      C-13-H3C(O)CH3
  850076.6259  0.0458 -4.5492 3 1181.5791C08  595161404751560 2    741559 2      C-13-H3C(O)CH3
  850076.6259  0.0458 -4.8333 3 1181.5791C08  595161404751560 2    741659 2      C-13-H3C(O)CH3
  850076.6259  0.0458 -4.5492 3 1181.5791C08  595161404751660 2    741659 2      C-13-H3C(O)CH3
  850076.6259  0.0458 -4.8333 3 1181.5791C08  595161404751660 2    741559 2      C-13-H3C(O)CH3
  850112.9231  0.0317 -4.3281 3  950.2072968  595161404603229 1    593128 1      C-13-H3C(O)CH3
  850113.1889  0.0469 -4.6694 3 1181.5818604  595161404751560 3    741659 3      C-13-H3C(O)CH3
  850113.1889  0.0469 -4.6694 3 1181.5818604  595161404751660 3    741559 3      C-13-H3C(O)CH3
  850113.2485  0.0469 -4.7183 3 1181.5818604  595161404751560 4    741559 4      C-13-H3C(O)CH3
  850113.2485  0.0469 -5.6332 3 1181.5818604  595161404751560 4    741659 4      C-13-H3C(O)CH3
  850113.2485  0.0469 -5.6332 3 1181.5818604  595161404751660 4    741559 4      C-13-H3C(O)CH3
  850113.2485  0.0469 -4.7183 3 1181.5818604  595161404751660 4    741659 4      C-13-H3C(O)CH3
  850119.0523  0.0336 -4.3281 3  950.2082968  595161404603229 2    593128 2      C-13-H3C(O)CH3
  850145.3364  0.0190 -5.5498 3  191.5895536  59516140433 529 0    32 230 0      C-13-H3C(O)CH3
  850145.3364  0.0190 -5.1423 3  191.5895536  59516140433 429 0    32 230 0      C-13-H3C(O)CH3
  850145.3364  0.0190 -5.5498 3  191.5895536  59516140433 429 0    32 330 0      C-13-H3C(O)CH3
  850145.3364  0.0190 -5.1423 3  191.5895536  59516140433 529 0    32 330 0      C-13-H3C(O)CH3
  850175.2205  0.0340 -4.6293 3  950.2159484  595161404603229 4    593128 4      C-13-H3C(O)CH3
  850175.2225  0.0339 -4.6293 3  950.2159484  595161404603229 3    593128 3      C-13-H3C(O)CH3
  850184.6783  0.0143 -4.0555 3  445.5247664  595161404412517 0    402218 0      C-13-H3C(O)CH3
  850187.2415  0.0053 -3.3469 3  589.8195712  5951614044439 5 0    4338 6 0      C-13-H3C(O)CH3
  850187.2415  0.0053 -3.3469 3  589.8195712  5951614044439 6 0    4338 5 0      C-13-H3C(O)CH3
  850284.4936  0.0060 -3.3468 3  589.8259712 -5951614044439 5 2    4338 5 2      C-13-H3C(O)CH3
  850287.3942  0.0057 -3.3468 3  589.7982712 -5951614044439 6 2    4338 6 2      C-13-H3C(O)CH3
  850311.4639  0.0134 -4.0554 3  445.5023664  595161404412517 1    402218 1      C-13-H3C(O)CH3
  850313.1128  0.5159 -5.0401 3 1044.9758A00  595161404623725 1    613824 1      C-13-H3C(O)CH3
  850335.3184  0.0059 -3.3467 3  589.8403712 -5951614044439 5 1    4338 5 1      C-13-H3C(O)CH3
  850356.7254  0.0057 -3.3467 3  589.7921712 -5951614044439 6 1    4338 6 1      C-13-H3C(O)CH3
  850432.0034  0.0085 -3.6477 3  589.8465356  5951614044439 5 4    4338 5 4      C-13-H3C(O)CH3
  850433.6243  0.0125 -4.0563 3  445.4943664  595161404412517 2    402218 2      C-13-H3C(O)CH3
  850434.9214  0.0081 -3.6477 3  589.8190356  5951614044439 5 3    4338 5 3      C-13-H3C(O)CH3
  850453.4244  0.0082 -3.6477 3  589.7985356  5951614044439 6 3    4338 6 3      C-13-H3C(O)CH3
  850456.9322  0.0084 -3.6477 3  589.7708356  5951614044439 6 4    4338 6 4      C-13-H3C(O)CH3
  850471.5699  0.0210 -4.0207 3  441.1442664  595161404412318 2    402219 2      C-13-H3C(O)CH3
  850487.7023  0.0225 -4.3214 3  441.1215332  595161404412318 3    402219 3      C-13-H3C(O)CH3
  850493.1286  0.0224 -4.3214 3  441.1215332  595161404412318 4    402219 4      C-13-H3C(O)CH3
  850502.7150  0.7364 -5.0396 3 1044.9754A00  595161404623725 2    613824 2      C-13-H3C(O)CH3
  850550.4569  0.0098 -4.3572 3  445.4720332  595161404412517 4    402218 4      C-13-H3C(O)CH3
  850567.4057  0.0108 -4.3572 3  445.4719332  595161404412517 3    402218 3      C-13-H3C(O)CH3
  850596.7019  0.0519 -4.6013 3 1082.3202A80  595161404672543 0    662442 0      C-13-H3C(O)CH3
  850596.7019  0.0519 -4.6013 3 1082.3202A80  595161404672443 0    662542 0      C-13-H3C(O)CH3
  850596.7019  0.0519 -4.6761 3 1082.3202A80  595161404672443 0    662442 0      C-13-H3C(O)CH3
  850596.7019  0.0519 -4.6761 3 1082.3202A80  595161404672543 0    662542 0      C-13-H3C(O)CH3
  850603.5811  0.0122 -4.0208 3  441.1716664 -595161404412318 0    402219 0      C-13-H3C(O)CH3
  850621.1414  0.0125 -4.0206 3  441.1489664  595161404412318 1    402219 1      C-13-H3C(O)CH3
  850626.6548  0.0524 -5.0226 3 1082.3340A80  595161404672443 1    662542 1      C-13-H3C(O)CH3
  850626.6548  0.0524 -4.4362 3 1082.3340A80  595161404672543 1    662542 1      C-13-H3C(O)CH3
  850626.6548  0.0524 -5.0226 3 1082.3340A80  595161404672543 1    662442 1      C-13-H3C(O)CH3
  850626.6548  0.0524 -4.4362 3 1082.3340A80  595161404672443 1    662442 1      C-13-H3C(O)CH3
  850628.5548  0.0536 -5.6958 3 1082.3349A80  595161404672543 2    662442 2      C-13-H3C(O)CH3
  850628.5548  0.0536 -5.6958 3 1082.3349A80  595161404672443 2    662542 2      C-13-H3C(O)CH3
  850628.5548  0.0536 -4.3555 3 1082.3349A80  595161404672443 2    662442 2      C-13-H3C(O)CH3
  850628.5548  0.0536 -4.3555 3 1082.3349A80  595161404672543 2    662542 2      C-13-H3C(O)CH3
  850658.5457  0.0497 -4.6395 3 1082.3488540  595161404672543 3    662442 3      C-13-H3C(O)CH3
  850658.5457  0.0497 -4.6395 3 1082.3488540  595161404672443 3    662542 3      C-13-H3C(O)CH3
  850658.6033  0.0498 -4.6372 3 1082.3488540  595161404672543 4    662442 4      C-13-H3C(O)CH3
  850658.6033  0.0498 -4.6372 3 1082.3488540  595161404672443 4    662542 4      C-13-H3C(O)CH3
  850880.8034  0.0160 -5.3787 3  283.3362260  5951614043225 7 3    3122 9 3      C-13-H3C(O)CH3
  850896.3816  0.0130 -5.6747 3  225.8222488  595161404301713 2    291416 2      C-13-H3C(O)CH3
  850897.5166  0.0177 -5.3681 3  283.3401260  5951614043225 7 4    3122 9 4      C-13-H3C(O)CH3
  850987.6617  0.0356 -4.5901 3 1236.5230D36  59516140483 677 0    82 776 0      C-13-H3C(O)CH3
  850987.6617  0.0356 -4.7364 3 1236.5230D36  59516140483 777 0    82 776 0      C-13-H3C(O)CH3
  850987.6617  0.0356 -4.5901 3 1236.5230D36  59516140483 777 0    82 676 0      C-13-H3C(O)CH3
  850987.6617  0.0356 -4.7364 3 1236.5230D36  59516140483 677 0    82 676 0      C-13-H3C(O)CH3
  850992.2534  0.0575 -4.9928 3 1236.4909D36  59516140483 677 1    82 776 1      C-13-H3C(O)CH3
  850992.2534  0.0575 -4.4700 3 1236.4909D36  59516140483 677 1    82 676 1      C-13-H3C(O)CH3
  850992.2534  0.0575 -4.9928 3 1236.4909D36  59516140483 777 1    82 676 1      C-13-H3C(O)CH3
  850992.2534  0.0575 -4.4700 3 1236.4909D36  59516140483 777 1    82 776 1      C-13-H3C(O)CH3
  850992.3646  0.0559 -5.1773 3 1236.4908D36  59516140483 677 2    82 676 2      C-13-H3C(O)CH3
  850992.3646  0.0559 -4.4271 3 1236.4908D36  59516140483 677 2    82 776 2      C-13-H3C(O)CH3
  850992.3646  0.0559 -5.1773 3 1236.4908D36  59516140483 777 2    82 776 2      C-13-H3C(O)CH3
  850992.3646  0.0559 -4.4271 3 1236.4908D36  59516140483 777 2    82 676 2      C-13-H3C(O)CH3
  850996.9447  0.0312 -5.4197 3 1236.4586668  59516140483 677 4    82 776 4      C-13-H3C(O)CH3
  850996.9447  0.0312 -4.7393 3 1236.4586668  59516140483 677 4    82 676 4      C-13-H3C(O)CH3
  850996.9447  0.0312 -5.4197 3 1236.4586668  59516140483 777 4    82 676 4      C-13-H3C(O)CH3
  850996.9447  0.0312 -4.7393 3 1236.4586668  59516140483 777 4    82 776 4      C-13-H3C(O)CH3
  850996.9666  0.0312 -4.6571 3 1236.4586668  59516140483 677 3    82 676 3      C-13-H3C(O)CH3
  850996.9666  0.0312 -4.6571 3 1236.4586668  59516140483 777 3    82 776 3      C-13-H3C(O)CH3
  851009.3515  0.0164 -5.9755 3  225.8093244  595161404301713 3    291416 3      C-13-H3C(O)CH3
  851020.6633  0.0167 -5.9755 3  225.8093244  595161404301713 4    291416 4      C-13-H3C(O)CH3
  851052.7473  0.0140 -5.0715 3  283.3588520  5951614043225 7 1    3122 9 1      C-13-H3C(O)CH3
  851078.7643  0.0114 -5.6747 3  225.8384488  595161404301713 0    291416 0      C-13-H3C(O)CH3
  851147.1887  0.0421 -4.3813 3 1192.9798C24  595161404761462 0    751461 0      C-13-H3C(O)CH3
  851147.1887  0.0421 -4.3813 3 1192.9798C24  595161404761562 0    751561 0      C-13-H3C(O)CH3
  851183.6992  0.0441 -5.7748 3 1192.9798C24  595161404761462 1    751461 1      C-13-H3C(O)CH3
  851183.6992  0.0441 -4.3912 3 1192.9798C24  595161404761462 1    751561 1      C-13-H3C(O)CH3
  851183.6992  0.0441 -4.3742 3 1192.9798C24  595161404761562 1    751561 1      C-13-H3C(O)CH3
  851183.9214  0.0439 -4.4164 3 1192.9797C24  595161404761562 2    751461 2      C-13-H3C(O)CH3
  851183.9214  0.0439 -5.4004 3 1192.9797C24  595161404761562 2    751561 2      C-13-H3C(O)CH3
  851183.9214  0.0439 -4.4164 3 1192.9797C24  595161404761462 2    751561 2      C-13-H3C(O)CH3
  851183.9214  0.0439 -5.4004 3 1192.9797C24  595161404761462 2    751461 2      C-13-H3C(O)CH3
  851193.6507  0.0134 -5.6748 3  225.8255488  595161404301713 1    291416 1      C-13-H3C(O)CH3
  851220.4650  0.0456 -4.6821 3 1192.9796612  595161404761562 3    751461 3      C-13-H3C(O)CH3
  851220.4650  0.0456 -4.6821 3 1192.9796612  595161404761462 3    751561 3      C-13-H3C(O)CH3
  851220.5225  0.0456 -5.1169 3 1192.9796612  595161404761462 4    751561 4      C-13-H3C(O)CH3
  851220.5225  0.0456 -5.3092 3 1192.9796612  595161404761562 4    751461 4      C-13-H3C(O)CH3
  851220.5225  0.0456 -4.8692 3 1192.9796612  595161404761562 4    751561 4      C-13-H3C(O)CH3
  851220.5225  0.0456 -4.7892 3 1192.9796612  595161404761462 4    751461 4      C-13-H3C(O)CH3
  851246.3789  0.0260 -5.6560 3  283.3621520  5951614043225 8 2    3122 9 2      C-13-H3C(O)CH3
  851281.1830  0.0159 -5.3637 3  283.3162260  5951614043225 8 4    312210 4      C-13-H3C(O)CH3
  851296.1009  0.0158 -5.3802 3  283.3201260  5951614043225 8 3    312210 3      C-13-H3C(O)CH3
  851354.9707  0.1233 -4.3299 3  844.0105904  595161404563324 0    553223 0      C-13-H3C(O)CH3
  851379.8540  0.0157 -5.1849 3  283.3621520  5951614043225 7 2    3122 9 2      C-13-H3C(O)CH3
  851432.3965  0.0540 -4.3446 3 1098.7343A96  595161404682345 0    672344 0      C-13-H3C(O)CH3
  851432.3965  0.0540 -4.3446 3 1098.7343A96  595161404682445 0    672444 0      C-13-H3C(O)CH3
  851444.8510  0.0134 -5.0700 3  283.3390520  5951614043225 8 1    312210 1      C-13-H3C(O)CH3
  851462.4555  0.0545 -4.5488 3 1098.7480A96  595161404682345 1    672344 1      C-13-H3C(O)CH3
  851462.4555  0.0545 -4.7699 3 1098.7480A96  595161404682345 1    672444 1      C-13-H3C(O)CH3
  851462.4555  0.0545 -4.7699 3 1098.7480A96  595161404682445 1    672344 1      C-13-H3C(O)CH3
  851462.4555  0.0545 -4.5488 3 1098.7480A96  595161404682445 1    672444 1      C-13-H3C(O)CH3
  851464.2490  0.0555 -5.1019 3 1098.7488A96  595161404682445 2    672344 2      C-13-H3C(O)CH3
  851464.2490  0.0555 -4.4278 3 1098.7488A96  595161404682345 2    672344 2      C-13-H3C(O)CH3
  851464.2490  0.0555 -4.4278 3 1098.7488A96  595161404682445 2    672444 2      C-13-H3C(O)CH3
  851464.2490  0.0555 -5.1019 3 1098.7488A96  595161404682345 2    672444 2      C-13-H3C(O)CH3
  851487.5013  0.0164 -5.1819 3  283.3540520  5951614043225 8 2    312210 2      C-13-H3C(O)CH3
  851490.8228  0.0136 -5.0588 3  283.3820520  5951614043225 8 0    3122 9 0      C-13-H3C(O)CH3
  851494.3455  0.0511 -5.0923 3 1098.7625548  595161404682345 3    672444 3      C-13-H3C(O)CH3
  851494.3455  0.0511 -4.8376 3 1098.7625548  595161404682345 3    672344 3      C-13-H3C(O)CH3
  851494.3455  0.0511 -4.8376 3 1098.7625548  595161404682445 3    672444 3      C-13-H3C(O)CH3
  851494.3455  0.0511 -5.0923 3 1098.7625548  595161404682445 3    672344 3      C-13-H3C(O)CH3
  851494.4029  0.0511 -4.6668 3 1098.7626548  595161404682345 4    672344 4      C-13-H3C(O)CH3
  851494.4029  0.0511 -5.9648 3 1098.7626548  595161404682445 4    672344 4      C-13-H3C(O)CH3
  851494.4029  0.0511 -4.6668 3 1098.7626548  595161404682445 4    672444 4      C-13-H3C(O)CH3
  851494.4029  0.0511 -5.9648 3 1098.7626548  595161404682345 4    672444 4      C-13-H3C(O)CH3
  851503.4481  0.0100 -5.2981 3  626.9638776  595161404483118 1    473018 1      C-13-H3C(O)CH3
  851525.1143  0.0107 -5.0099 3  626.9650776  595161404483118 2    473018 2      C-13-H3C(O)CH3
  851557.3035  0.5572 -5.0364 3 1044.9539A00  595161404623725 0    613824 0      C-13-H3C(O)CH3
  851557.8452  0.0151 -4.8956 3  626.9588388  595161404483118 4    473018 4      C-13-H3C(O)CH3
  851620.9764  0.0242 -5.6586 3  283.3540520  5951614043225 7 2    312210 2      C-13-H3C(O)CH3
  851699.6558  0.0135 -5.0586 3  283.3751520  5951614043225 7 0    312210 0      C-13-H3C(O)CH3
  851775.5079  0.0053 -3.4158 3  596.0164728 -5951614044537 8 0    4436 9 0      C-13-H3C(O)CH3
  851775.5079  0.0053 -3.4158 3  596.0164728 -5951614044537 9 0    4436 8 0      C-13-H3C(O)CH3
  851791.9702  0.0365 -4.3575 3  928.4223952  595161404593227 0    583326 0      C-13-H3C(O)CH3
  851811.5145  0.0370 -4.3579 3  928.4275952  595161404593227 1    583326 1      C-13-H3C(O)CH3
  851828.9034  0.0455 -4.3579 3  928.4281952  595161404593227 2    583326 2      C-13-H3C(O)CH3
  851834.0271  0.0059 -3.4159 3  596.0316728 -5951614044537 8 2    4436 8 2      C-13-H3C(O)CH3
  851846.2767  0.0450 -4.6593 3  928.4334476  595161404593227 3    583326 3      C-13-H3C(O)CH3
  851847.9259  0.0443 -4.6593 3  928.4333476  595161404593227 4    583326 4      C-13-H3C(O)CH3
  851877.3248  0.0058 -3.4158 3  596.0126728 -5951614044537 9 2    4436 9 2      C-13-H3C(O)CH3
  851896.0352  0.0060 -3.4157 3  596.0302728 -5951614044537 8 1    4436 8 1      C-13-H3C(O)CH3
  851910.1280  0.0058 -3.4157 3  595.9960728 -5951614044537 9 1    4436 9 1      C-13-H3C(O)CH3
  851942.5950  0.1047 -4.3299 3  843.9941904  595161404563324 1    553223 1      C-13-H3C(O)CH3
  851953.9584  0.0085 -3.7168 3  596.0453364  5951614044537 8 4    4436 8 4      C-13-H3C(O)CH3
  851968.5475  0.0079 -3.7168 3  596.0112364  5951614044537 9 3    4436 9 3      C-13-H3C(O)CH3
  851997.7502  0.0078 -3.7168 3  596.0265364  5951614044537 8 3    4436 8 3      C-13-H3C(O)CH3
  852012.4581  0.0079 -3.7168 3  595.9921364  5951614044537 9 4    4436 9 4      C-13-H3C(O)CH3
  852015.8932  0.1552 -4.3299 3  843.9912904  595161404563324 2    553223 2      C-13-H3C(O)CH3
  852204.1464  0.0273 -4.6609 3 1243.0073676  59516140484 679 4    83 678 4      C-13-H3C(O)CH3
  852204.1464  0.0273 -4.6609 3 1243.0073676  59516140484 579 4    83 578 4      C-13-H3C(O)CH3
  852204.1822  0.0273 -4.6637 3 1243.0074676  59516140484 679 3    83 578 3      C-13-H3C(O)CH3
  852204.1822  0.0273 -4.6637 3 1243.0074676  59516140484 579 3    83 678 3      C-13-H3C(O)CH3
  852208.1035  0.0493 -4.4877 3 1243.0407D52  59516140484 579 1    83 578 1      C-13-H3C(O)CH3
  852208.1035  0.0493 -5.1662 3 1243.0407D52  59516140484 579 1    83 678 1      C-13-H3C(O)CH3
  852208.1035  0.0493 -4.9378 3 1243.0407D52  59516140484 679 1    83 578 1      C-13-H3C(O)CH3
  852208.1035  0.0493 -4.4289 3 1243.0407D52  59516140484 679 1    83 678 1      C-13-H3C(O)CH3
  852208.2644  0.0485 -4.3597 3 1243.0406D52  59516140484 679 2    83 678 2      C-13-H3C(O)CH3
  852208.2644  0.0485 -4.3683 3 1243.0406D52  59516140484 579 2    83 578 2      C-13-H3C(O)CH3
  852208.2644  0.0485 -5.9053 3 1243.0406D52  59516140484 679 2    83 578 2      C-13-H3C(O)CH3
  852212.1952  0.0314 -4.7964 3 1243.0739D52  59516140484 679 0    83 578 0      C-13-H3C(O)CH3
  852212.1952  0.0314 -4.5516 3 1243.0739D52  59516140484 679 0    83 678 0      C-13-H3C(O)CH3
  852212.1952  0.0314 -4.7964 3 1243.0739D52  59516140484 579 0    83 678 0      C-13-H3C(O)CH3
  852212.1952  0.0314 -4.5516 3 1243.0739D52  59516140484 579 0    83 578 0      C-13-H3C(O)CH3
  852269.6551  0.0394 -4.9690 3 1203.8441C40  595161404771464 0    761363 0      C-13-H3C(O)CH3
  852269.6551  0.0394 -4.5083 3 1203.8441C40  595161404771464 0    761463 0      C-13-H3C(O)CH3
  852269.6551  0.0394 -4.5083 3 1203.8441C40  595161404771364 0    761363 0      C-13-H3C(O)CH3
  852269.6551  0.0394 -4.9690 3 1203.8441C40  595161404771364 0    761463 0      C-13-H3C(O)CH3
  852305.6480  0.0440 -4.3795 3 1203.8409C40  595161404771364 1    761363 1      C-13-H3C(O)CH3
  852305.6480  0.0440 -4.3795 3 1203.8409C40  595161404771464 1    761463 1      C-13-H3C(O)CH3
  852305.7090  0.0431 -4.4023 3 1203.8407C40  595161404771364 2    761463 2      C-13-H3C(O)CH3
  852305.7090  0.0431 -5.6647 3 1203.8407C40  595161404771464 2    761463 2      C-13-H3C(O)CH3
  852305.7090  0.0431 -5.6647 3 1203.8407C40  595161404771364 2    761363 2      C-13-H3C(O)CH3
  852305.7090  0.0431 -4.4023 3 1203.8407C40  595161404771464 2    761363 2      C-13-H3C(O)CH3
  852327.4108  0.0556 -4.3539 3 1114.5775B12  595161404692347 0    682246 0      C-13-H3C(O)CH3
  852327.4108  0.0556 -4.3539 3 1114.5775B12  595161404692247 0    682346 0      C-13-H3C(O)CH3
  852341.7328  0.0442 -4.7271 3 1203.8375620  595161404771464 3    761463 3      C-13-H3C(O)CH3
  852341.7328  0.0442 -4.7271 3 1203.8375620  595161404771364 3    761363 3      C-13-H3C(O)CH3
  852341.7328  0.0442 -5.6702 3 1203.8375620  595161404771464 3    761363 3      C-13-H3C(O)CH3
  852341.7328  0.0442 -5.6702 3 1203.8375620  595161404771364 3    761463 3      C-13-H3C(O)CH3
  852341.7873  0.0442 -4.7962 3 1203.8375620  595161404771464 4    761363 4      C-13-H3C(O)CH3
  852341.7873  0.0442 -5.3102 3 1203.8375620  595161404771464 4    761463 4      C-13-H3C(O)CH3
  852341.7873  0.0442 -4.7962 3 1203.8375620  595161404771364 4    761463 4      C-13-H3C(O)CH3
  852341.7873  0.0442 -5.3102 3 1203.8375620  595161404771364 4    761363 4      C-13-H3C(O)CH3
  852357.8646  0.0560 -5.0348 3 1114.5909B12  595161404692247 1    682246 1      C-13-H3C(O)CH3
  852357.8646  0.0560 -4.4543 3 1114.5909B12  595161404692347 1    682246 1      C-13-H3C(O)CH3
  852357.8646  0.0560 -5.0348 3 1114.5909B12  595161404692347 1    682346 1      C-13-H3C(O)CH3
  852357.8646  0.0560 -4.4543 3 1114.5909B12  595161404692247 1    682346 1      C-13-H3C(O)CH3
  852359.5487  0.0570 -4.8871 3 1114.5916B12  595161404692247 2    682246 2      C-13-H3C(O)CH3
  852359.5487  0.0570 -4.5032 3 1114.5916B12  595161404692347 2    682246 2      C-13-H3C(O)CH3
  852359.5487  0.0570 -4.8871 3 1114.5916B12  595161404692347 2    682346 2      C-13-H3C(O)CH3
  852359.5487  0.0570 -4.5032 3 1114.5916B12  595161404692247 2    682346 2      C-13-H3C(O)CH3
  852390.0396  0.0521 -4.6677 3 1114.6050556  595161404692347 3    682246 3      C-13-H3C(O)CH3
  852390.0396  0.0521 -4.6677 3 1114.6050556  595161404692247 3    682346 3      C-13-H3C(O)CH3
  852390.0971  0.0521 -4.6750 3 1114.6050556  595161404692347 4    682246 4      C-13-H3C(O)CH3
  852390.0971  0.0521 -5.9816 3 1114.6050556  595161404692347 4    682346 4      C-13-H3C(O)CH3
  852390.0971  0.0521 -5.9816 3 1114.6050556  595161404692247 4    682246 4      C-13-H3C(O)CH3
  852390.0971  0.0521 -4.6750 3 1114.6050556  595161404692247 4    682346 4      C-13-H3C(O)CH3
  852602.0835  0.1296 -4.6310 3  843.9748452  595161404563324 4    553223 4      C-13-H3C(O)CH3
  852609.3017  0.0166 -5.2266 3  281.2214536  595161404332013 2    321716 2      C-13-H3C(O)CH3
  852616.6953  0.1327 -4.6310 3  843.9746452  595161404563324 3    553223 3      C-13-H3C(O)CH3
  852746.8024  0.0142 -5.2283 3  281.2456536  595161404332013 0    321716 0      C-13-H3C(O)CH3
  852796.4692  0.0061 -3.6198 3  614.2127760 -595161404473315 0    463214 0      C-13-H3C(O)CH3
  852825.0038  0.0205 -5.5286 3  281.2019268  595161404332013 4    321716 4      C-13-H3C(O)CH3
  852837.0248  0.0193 -5.5287 3  281.2019268  595161404332013 3    321716 3      C-13-H3C(O)CH3
  852843.3415  0.0831 -5.6272 3  614.2392380  595161404473315 3    463214 3      C-13-H3C(O)CH3
  852858.2069  0.0050 -3.5022 3  604.0534744 -595161404463512 0    453411 0      C-13-H3C(O)CH3
  852858.2069  0.0050 -3.5022 3  604.0534744 -595161404463511 0    453412 0      C-13-H3C(O)CH3
  852875.0470  0.0061 -3.6197 3  614.2109760  595161404473314 0    463215 0      C-13-H3C(O)CH3
  852916.1137  0.0056 -3.5024 3  604.0828744 -595161404463511 2    453411 2      C-13-H3C(O)CH3
  852938.9984  0.0065 -3.6202 3  614.2500760 -595161404473314 2    463214 2      C-13-H3C(O)CH3
  852948.6585  1.0086 -5.8314 3 1226.8844540  595161404674126 3    664225 3      C-13-H3C(O)CH3
  852952.4873  0.0064 -3.6205 3  614.2325760 -595161404473314 1    463214 1      C-13-H3C(O)CH3
  852963.5980  0.0057 -3.5022 3  604.0692744 -595161404463511 1    453411 1      C-13-H3C(O)CH3
  852965.0482  0.0157 -5.2294 3  281.2261536  595161404332013 1    321716 1      C-13-H3C(O)CH3
  852973.6451  0.0072 -3.6203 3  614.2010760 -595161404473315 1    463215 1      C-13-H3C(O)CH3
  852984.4036  0.0061 -3.5022 3  604.0411744 -595161404463512 1    453412 1      C-13-H3C(O)CH3
  852993.7587  0.0058 -3.5021 3  604.0578744 -595161404463512 2    453412 2      C-13-H3C(O)CH3
  853020.6557  0.8927 -5.8386 3 1226.8825540  595161404674126 4    664225 4      C-13-H3C(O)CH3
  853021.6060  0.0077 -3.8035 3  604.0986372  595161404463511 4    453411 4      C-13-H3C(O)CH3
  853021.6798  0.0070 -3.6197 3  614.2087760 -595161404473315 2    463215 2      C-13-H3C(O)CH3
  853042.9107  0.0076 -3.8034 3  604.0704372  595161404463512 3    453412 3      C-13-H3C(O)CH3
  853057.4389  0.0087 -3.9210 3  614.2706380  595161404473314 4    463214 4      C-13-H3C(O)CH3
  853075.6034  0.0092 -3.9292 3  614.2392380  595161404473314 3    463214 3      C-13-H3C(O)CH3
  853083.9973  0.0093 -5.8007 3  208.4887472  595161404291713 2    281216 2      C-13-H3C(O)CH3
  853099.6990  0.0074 -3.8032 3  604.0736372  595161404463511 3    453411 3      C-13-H3C(O)CH3
  853120.6499  0.0082 -3.8031 3  604.0453372  595161404463512 4    453412 4      C-13-H3C(O)CH3
  853141.2005  0.0091 -3.9289 3  614.2293380  595161404473315 3    463215 3      C-13-H3C(O)CH3
  853150.2191  0.0150 -5.5437 3  243.7246504  595161404311813 2    301516 2      C-13-H3C(O)CH3
  853156.3097  0.0162 -5.3954 3  262.1923520  595161404321913 2    311616 2      C-13-H3C(O)CH3
  853159.2049  0.0094 -3.9202 3  614.1979380  595161404473315 4    463215 4      C-13-H3C(O)CH3
  853161.3051  0.0092 -5.7999 3  208.4916472  595161404291713 1    281216 1      C-13-H3C(O)CH3
  853239.7660  0.4972 -5.9554 3 1423.4727B60  595161404724528 1    714625 1      C-13-H3C(O)CH3
  853257.0622  0.0091 -5.8001 3  208.5012472  595161404291713 0    281216 0      C-13-H3C(O)CH3
  853269.1204  0.0566 -4.3863 3 1129.8566B28  595161404702149 0    692148 0      C-13-H3C(O)CH3
  853269.1204  0.0566 -5.6203 3 1129.8566B28  595161404702149 0    692248 0      C-13-H3C(O)CH3
  853269.1204  0.0566 -4.3863 3 1129.8566B28  595161404702249 0    692248 0      C-13-H3C(O)CH3
  853269.1204  0.0566 -5.6203 3 1129.8566B28  595161404702249 0    692148 0      C-13-H3C(O)CH3
  853300.1977  0.0570 -4.5408 3 1129.8695B28  595161404702249 1    692248 1      C-13-H3C(O)CH3
  853300.1977  0.0570 -4.8330 3 1129.8695B28  595161404702149 1    692248 1      C-13-H3C(O)CH3
  853300.1977  0.0570 -4.8330 3 1129.8695B28  595161404702249 1    692148 1      C-13-H3C(O)CH3
  853300.1977  0.0570 -4.5408 3 1129.8695B28  595161404702149 1    692148 1      C-13-H3C(O)CH3
  853301.7592  0.0579 -5.1781 3 1129.8701B28  595161404702249 2    692148 2      C-13-H3C(O)CH3
  853301.7592  0.0579 -4.4336 3 1129.8701B28  595161404702249 2    692248 2      C-13-H3C(O)CH3
  853301.7592  0.0579 -5.1781 3 1129.8701B28  595161404702149 2    692248 2      C-13-H3C(O)CH3
  853301.7592  0.0579 -4.4336 3 1129.8701B28  595161404702149 2    692148 2      C-13-H3C(O)CH3
  853316.9721  0.0140 -5.3964 3  262.2144520  595161404321913 0    311616 0      C-13-H3C(O)CH3
  853321.5423  0.0129 -5.5441 3  243.7440504  595161404311813 0    301516 0      C-13-H3C(O)CH3
  853322.9493  0.4906 -5.9653 3 1423.4614B60  595161404724528 2    714625 2      C-13-H3C(O)CH3
  853332.8734  0.0528 -4.6638 3 1129.8829564  595161404702249 3    692148 3      C-13-H3C(O)CH3
  853332.8734  0.0528 -4.6638 3 1129.8829564  595161404702149 3    692248 3      C-13-H3C(O)CH3
  853332.9313  0.0528 -4.6965 3 1129.8830564  595161404702149 4    692248 4      C-13-H3C(O)CH3
  853332.9313  0.0528 -5.7899 3 1129.8830564  595161404702149 4    692148 4      C-13-H3C(O)CH3
  853332.9313  0.0528 -4.6965 3 1129.8830564  595161404702249 4    692148 4      C-13-H3C(O)CH3
  853332.9313  0.0528 -5.7899 3 1129.8830564  595161404702249 4    692248 4      C-13-H3C(O)CH3
  853338.1963  0.0186 -5.8449 3  243.7090252  595161404311813 3    301516 3      C-13-H3C(O)CH3
  853346.8077  0.0191 -5.8450 3  243.7090252  595161404311813 4    301516 4      C-13-H3C(O)CH3
  853373.4624  0.0843 -5.6268 3  614.2293380  595161404473314 3    463215 3      C-13-H3C(O)CH3
  853384.0125  0.0206 -5.6971 3  262.1745260  595161404321913 4    311616 4      C-13-H3C(O)CH3
  853384.7149  0.0190 -5.6971 3  262.1745260  595161404321913 3    311616 3      C-13-H3C(O)CH3
  853406.2863  0.0373 -4.9220 3 1214.1708C56  595161404781266 0    771265 0      C-13-H3C(O)CH3
  853406.2863  0.0373 -4.5328 3 1214.1708C56  595161404781266 0    771365 0      C-13-H3C(O)CH3
  853406.2863  0.0373 -4.4434 3 1214.1708C56  595161404781366 0    771265 0      C-13-H3C(O)CH3
  853406.2863  0.0373 -5.2788 3 1214.1708C56  595161404781366 0    771365 0      C-13-H3C(O)CH3
  853422.8089  0.0221 -5.9674 3 1249.0288684  59516140485 481 4    84 480 4      C-13-H3C(O)CH3
  853422.8089  0.0221 -4.6677 3 1249.0288684  59516140485 481 4    84 580 4      C-13-H3C(O)CH3
  853422.8089  0.0221 -4.6776 3 1249.0288684  59516140485 581 4    84 480 4      C-13-H3C(O)CH3
  853422.8508  0.0221 -4.6599 3 1249.0288684  59516140485 481 3    84 480 3      C-13-H3C(O)CH3
  853422.8508  0.0221 -4.6599 3 1249.0288684  59516140485 581 3    84 580 3      C-13-H3C(O)CH3
  853435.1046  0.0363 -4.8195 3 1249.0601D68 -59516140485 581 1    84 480 1      C-13-H3C(O)CH3
  853435.1046  0.0366 -4.7106 3 1249.0599D68 -59516140485 481 2    84 480 2      C-13-H3C(O)CH3
  853435.1046  0.0363 -4.5374 3 1249.0601D68 -59516140485 481 1    84 480 1      C-13-H3C(O)CH3
  853435.1046  0.0366 -4.6074 3 1249.0599D68 -59516140485 581 2    84 480 2      C-13-H3C(O)CH3
  853435.4411  0.0363 -4.8195 3 1249.0601D68  59516140485 481 1    84 580 1      C-13-H3C(O)CH3
  853435.4411  0.0363 -4.5374 3 1249.0601D68  59516140485 581 1    84 580 1      C-13-H3C(O)CH3
  853435.5788  0.0366 -4.6074 3 1249.0599D68  59516140485 481 2    84 580 2      C-13-H3C(O)CH3
  853435.5788  0.0366 -4.7106 3 1249.0599D68  59516140485 581 2    84 580 2      C-13-H3C(O)CH3
  853441.0392  0.0441 -4.5343 3 1214.1639C56  595161404781366 2    771265 2      C-13-H3C(O)CH3
  853441.0392  0.0441 -4.9184 3 1214.1639C56  595161404781266 2    771265 2      C-13-H3C(O)CH3
  853441.0392  0.0441 -4.5343 3 1214.1639C56  595161404781266 2    771365 2      C-13-H3C(O)CH3
  853441.0392  0.0441 -4.9184 3 1214.1639C56  595161404781366 2    771365 2      C-13-H3C(O)CH3
  853441.1046  0.0459 -5.3756 3 1214.1640C56  595161404781266 1    771265 1      C-13-H3C(O)CH3
  853441.1046  0.0459 -4.4309 3 1214.1640C56  595161404781366 1    771265 1      C-13-H3C(O)CH3
  853441.1046  0.0459 -4.3917 3 1214.1640C56  595161404781266 1    771365 1      C-13-H3C(O)CH3
  853448.1753  0.0246 -4.8309 3 1249.0912D68  59516140485 481 0    84 580 0      C-13-H3C(O)CH3
  853448.1753  0.0246 -4.5316 3 1249.0912D68  59516140485 481 0    84 480 0      C-13-H3C(O)CH3
  853448.1753  0.0246 -4.5316 3 1249.0912D68  59516140485 581 0    84 580 0      C-13-H3C(O)CH3
  853448.1753  0.0246 -4.8309 3 1249.0912D68  59516140485 581 0    84 480 0      C-13-H3C(O)CH3
  853475.8854  0.0429 -4.6952 3 1214.1570628  595161404781366 3    771365 3      C-13-H3C(O)CH3
  853475.8854  0.0429 -4.6952 3 1214.1570628  595161404781266 3    771265 3      C-13-H3C(O)CH3
  853475.9357  0.0429 -4.6860 3 1214.1570628  595161404781266 4    771265 4      C-13-H3C(O)CH3
  853475.9357  0.0429 -4.6860 3 1214.1570628  595161404781366 4    771365 4      C-13-H3C(O)CH3
  853509.2909  0.0153 -5.5446 3  243.7284504  595161404311813 1    301516 1      C-13-H3C(O)CH3
  853510.8153  0.0075 -4.5029 3  292.0185292  595161404361224 4    351125 4      C-13-H3C(O)CH3
  853510.8153  0.0075 -4.5028 3  292.0185292  595161404361324 4    351025 4      C-13-H3C(O)CH3
  853511.2831  0.0069 -4.5028 3  292.0185292  595161404361324 3    351025 3      C-13-H3C(O)CH3
  853511.2831  0.0069 -4.5028 3  292.0185292  595161404361224 3    351125 3      C-13-H3C(O)CH3
  853540.5492  0.0159 -5.3973 3  262.1966520  595161404321913 1    311616 1      C-13-H3C(O)CH3
  853574.9530  0.4831 -5.9559 3 1423.4352B60  595161404724528 0    714625 0      C-13-H3C(O)CH3
  853657.5918  0.0067 -4.2017 3  292.0371584  595161404361224 2    351125 2      C-13-H3C(O)CH3
  853657.5918  0.0067 -4.2017 3  292.0371584  595161404361324 2    351025 2      C-13-H3C(O)CH3
  853666.9123  0.0159 -5.0490 3  300.8081552  595161404342113 2    331816 2      C-13-H3C(O)CH3
  853667.6257  0.0068 -4.2017 3  292.0383584  595161404361224 1    351125 1      C-13-H3C(O)CH3
  853667.6257  0.0068 -4.2017 3  292.0383584  595161404361324 1    351025 1      C-13-H3C(O)CH3
  853747.9749  0.0102 -5.7243 3  247.7206252  595161404312012 4    301515 4      C-13-H3C(O)CH3
  853751.6882  0.0100 -5.7245 3  247.7206252  595161404312012 3    301515 3      C-13-H3C(O)CH3
  853754.3050  0.0105 -5.4231 3  247.7410504  595161404312012 1    301515 1      C-13-H3C(O)CH3
  853756.7151  0.0135 -5.0510 3  300.8339552  595161404342113 0    331816 0      C-13-H3C(O)CH3
  853779.8229  0.7384 -5.5323 3 1226.8539A80  595161404674126 1    664225 1      C-13-H3C(O)CH3
  853813.6969  0.0062 -4.2016 3  292.0569584  595161404361224 0    351125 0      C-13-H3C(O)CH3
  853813.6969  0.0062 -4.2015 3  292.0569584  595161404361324 0    351025 0      C-13-H3C(O)CH3
  853813.8609  0.2944 -5.8894 3 1375.1100B44  595161404714329 1    704426 1      C-13-H3C(O)CH3
  853840.2467  0.0186 -5.3509 3  300.7875276  595161404342113 4    331816 4      C-13-H3C(O)CH3
  853857.9770  0.0191 -5.3511 3  300.7875276  595161404342113 3    331816 3      C-13-H3C(O)CH3
  853888.8893  0.0110 -5.4239 3  247.7563504  595161404312012 0    301515 0      C-13-H3C(O)CH3
  853888.9348  0.0105 -5.4244 3  247.7359504  595161404312012 2    301515 2      C-13-H3C(O)CH3
  853928.3388  0.0374 -4.3548 3  928.3690952  595161404593327 0    583226 0      C-13-H3C(O)CH3
  853937.2258  0.0149 -5.0520 3  300.8133552  595161404342113 1    331816 1      C-13-H3C(O)CH3
  853965.8064  0.3508 -5.8897 3 1375.1042B44  595161404714329 2    704426 2      C-13-H3C(O)CH3
  854056.8138  0.0336 -4.3551 3  928.3716952  595161404593327 1    583226 1      C-13-H3C(O)CH3
  854062.7366  0.0337 -4.3551 3  928.3724952  595161404593327 2    583226 2      C-13-H3C(O)CH3
  854107.1561  1.0247 -5.5306 3 1226.8493A80  595161404674126 2    664225 2      C-13-H3C(O)CH3
  854132.8857  0.2648 -5.8908 3 1375.0851B44  595161404714329 0    704426 0      C-13-H3C(O)CH3
  854145.2758  0.2628 -4.8768 3  939.6831476  595161404593425 3    583524 3      C-13-H3C(O)CH3
  854167.4307  0.2537 -4.8769 3  939.6825476  595161404593425 4    583524 4      C-13-H3C(O)CH3
  854192.7682  0.0267 -4.6564 3  928.3750476  595161404593327 4    583226 4      C-13-H3C(O)CH3
  854193.9658  0.0270 -4.6564 3  928.3749476  595161404593327 3    583226 3      C-13-H3C(O)CH3
  854248.3899  0.0571 -4.4762 3 1144.5770B44  595161404712051 0    702150 0      C-13-H3C(O)CH3
  854248.3899  0.0571 -5.0356 3 1144.5770B44  595161404712051 0    702050 0      C-13-H3C(O)CH3
  854248.3899  0.0571 -4.4762 3 1144.5770B44  595161404712151 0    702050 0      C-13-H3C(O)CH3
  854248.3899  0.0571 -5.0356 3 1144.5770B44  595161404712151 0    702150 0      C-13-H3C(O)CH3
  854280.2620  0.0573 -4.8141 3 1144.5891B44  595161404712051 1    702150 1      C-13-H3C(O)CH3
  854280.2620  0.0573 -4.5642 3 1144.5891B44  595161404712151 1    702150 1      C-13-H3C(O)CH3
  854280.2620  0.0573 -4.8141 3 1144.5891B44  595161404712151 1    702050 1      C-13-H3C(O)CH3
  854280.2620  0.0573 -4.5642 3 1144.5891B44  595161404712051 1    702050 1      C-13-H3C(O)CH3
  854281.6818  0.0582 -4.9339 3 1144.5896B44  595161404712051 2    702050 2      C-13-H3C(O)CH3
  854281.6818  0.0582 -4.5090 3 1144.5896B44  595161404712051 2    702150 2      C-13-H3C(O)CH3
  854281.6818  0.0582 -4.5090 3 1144.5896B44  595161404712151 2    702050 2      C-13-H3C(O)CH3
  854281.6818  0.0582 -4.9339 3 1144.5896B44  595161404712151 2    702150 2      C-13-H3C(O)CH3
  854313.5908  0.0531 -5.4377 3 1144.6017572  595161404712151 3    702050 3      C-13-H3C(O)CH3
  854313.5908  0.0531 -5.4377 3 1144.6017572  595161404712051 3    702150 3      C-13-H3C(O)CH3
  854313.5908  0.0531 -4.7530 3 1144.6017572  595161404712151 3    702150 3      C-13-H3C(O)CH3
  854313.5908  0.0531 -4.7530 3 1144.6017572  595161404712051 3    702050 3      C-13-H3C(O)CH3
  854313.6492  0.0532 -4.7364 3 1144.6017572  595161404712051 4    702150 4      C-13-H3C(O)CH3
  854313.6492  0.0532 -4.7364 3 1144.6017572  595161404712151 4    702050 4      C-13-H3C(O)CH3
  854313.6492  0.0532 -5.5288 3 1144.6017572  595161404712151 4    702150 4      C-13-H3C(O)CH3
  854313.6492  0.0532 -5.5288 3 1144.6017572  595161404712051 4    702050 4      C-13-H3C(O)CH3
  854331.5502  0.0079 -3.2821 3  593.4912696  5951614044342 1 0    4241 1 0      C-13-H3C(O)CH3
  854331.5502  0.0079 -3.2821 3  593.4912696  5951614044342 2 0    4241 2 0      C-13-H3C(O)CH3
  854496.8207  0.0088 -3.2820 3  593.5394696 -5951614044342 1 1    4241 1 1      C-13-H3C(O)CH3
  854502.2982  0.0091 -3.2818 3  593.4485696 -5951614044342 2 2    4241 2 2      C-13-H3C(O)CH3
  854515.8502  0.0100 -3.2819 3  593.5099696 -5951614044342 1 2    4241 1 2      C-13-H3C(O)CH3
  854556.5643  0.0363 -4.3922 3 1223.9615C72  595161404791268 0    781267 0      C-13-H3C(O)CH3
  854556.5643  0.0363 -4.3922 3 1223.9615C72  595161404791168 0    781167 0      C-13-H3C(O)CH3
  854583.2548  0.0086 -3.2818 3  593.4700696 -5951614044342 2 1    4241 2 1      C-13-H3C(O)CH3
  854589.2339  0.0471 -4.5523 3 1223.9505C72  595161404791268 2    781167 2      C-13-H3C(O)CH3
  854589.2339  0.0471 -4.8914 3 1223.9505C72  595161404791268 2    781267 2      C-13-H3C(O)CH3
  854589.2339  0.0471 -4.8914 3 1223.9505C72  595161404791168 2    781167 2      C-13-H3C(O)CH3
  854589.2339  0.0471 -4.5523 3 1223.9505C72  595161404791168 2    781267 2      C-13-H3C(O)CH3
  854589.3809  0.0496 -4.7456 3 1223.9507C72  595161404791268 1    781167 1      C-13-H3C(O)CH3
  854589.3809  0.0496 -4.6400 3 1223.9507C72  595161404791268 1    781267 1      C-13-H3C(O)CH3
  854589.3809  0.0496 -4.6400 3 1223.9507C72  595161404791168 1    781167 1      C-13-H3C(O)CH3
  854589.3809  0.0496 -4.7456 3 1223.9507C72  595161404791168 1    781267 1      C-13-H3C(O)CH3
  854622.0750  0.0417 -4.6973 3 1223.9396636  595161404791168 3    781167 3      C-13-H3C(O)CH3
  854622.0750  0.0417 -4.6973 3 1223.9396636  595161404791268 3    781267 3      C-13-H3C(O)CH3
  854622.1193  0.0417 -5.1897 3 1223.9396636  595161404791168 4    781267 4      C-13-H3C(O)CH3
  854622.1193  0.0417 -4.8546 3 1223.9396636  595161404791168 4    781167 4      C-13-H3C(O)CH3
  854622.1193  0.0417 -5.1897 3 1223.9396636  595161404791268 4    781167 4      C-13-H3C(O)CH3
  854622.1193  0.0417 -4.8546 3 1223.9396636  595161404791268 4    781267 4      C-13-H3C(O)CH3
  854625.7124  0.0069 -4.0468 3  355.3521616  595161404381721 2    371622 2      C-13-H3C(O)CH3
  854626.4551  0.0069 -4.0468 3  355.3521616  595161404381821 2    371522 2      C-13-H3C(O)CH3
  854628.3162  0.0075 -4.3476 3  355.3261308  595161404381721 4    371622 4      C-13-H3C(O)CH3
  854628.4950  0.0075 -4.3476 3  355.3261308  595161404381721 3    371622 3      C-13-H3C(O)CH3
  854629.0735  0.0075 -4.3476 3  355.3261308  595161404381821 4    371522 4      C-13-H3C(O)CH3
  854629.2558  0.0075 -4.3476 3  355.3261308  595161404381821 3    371522 3      C-13-H3C(O)CH3
  854640.3651  0.0059 -4.0469 3  355.3804616  595161404381721 0    371622 0      C-13-H3C(O)CH3
  854641.0595  0.0059 -4.0469 3  355.3804616  595161404381821 0    371522 0      C-13-H3C(O)CH3
  854643.0880  0.0066 -4.0468 3  355.3544616  595161404381721 1    371622 1      C-13-H3C(O)CH3
  854643.7990  0.0066 -4.0468 3  355.3544616  595161404381821 1    371522 1      C-13-H3C(O)CH3
  854653.3720  0.0164 -5.6126 3 1254.5251692 -59516140486 383 3    85 382 3      C-13-H3C(O)CH3
  854653.3720  0.0164 -5.7842 3 1254.5251692 -59516140486 483 4    85 382 4      C-13-H3C(O)CH3
  854653.3720  0.0164 -4.7048 3 1254.5251692 -59516140486 483 3    85 382 3      C-13-H3C(O)CH3
  854653.3720  0.0164 -4.6876 3 1254.5251692 -59516140486 383 4    85 382 4      C-13-H3C(O)CH3
  854654.0677  0.0164 -4.6876 3 1254.5251692  59516140486 483 4    85 482 4      C-13-H3C(O)CH3
  854654.0677  0.0164 -5.7842 3 1254.5251692  59516140486 383 4    85 482 4      C-13-H3C(O)CH3
  854654.1013  0.0164 -4.7048 3 1254.5251692  59516140486 383 3    85 482 3      C-13-H3C(O)CH3
  854654.1013  0.0164 -5.6126 3 1254.5251692  59516140486 483 3    85 482 3      C-13-H3C(O)CH3
  854662.0475  0.2057 -4.5732 3  939.6737952  595161404593425 1    583524 1      C-13-H3C(O)CH3
  854667.2221  0.0140 -3.5828 3  593.4966348  5951614044342 1 3    4241 1 3      C-13-H3C(O)CH3
  854673.6255  0.0215 -5.6205 3 1254.5493D84 -59516140486 483 1    85 382 1      C-13-H3C(O)CH3
  854673.6255  0.0232 -4.3535 3 1254.5489D84 -59516140486 383 2    85 382 2      C-13-H3C(O)CH3
  854673.6255  0.0232 -4.3535 3 1254.5489D84 -59516140486 483 2    85 482 2      C-13-H3C(O)CH3
  854673.6255  0.0215 -4.3773 3 1254.5493D84 -59516140486 383 1    85 382 1      C-13-H3C(O)CH3
  854674.0158  0.0215 -4.3841 3 1254.5493D84  59516140486 483 1    85 482 1      C-13-H3C(O)CH3
  854674.0158  0.0215 -5.5157 3 1254.5493D84  59516140486 383 1    85 482 1      C-13-H3C(O)CH3
  854681.5104  0.0150 -3.5829 3  593.5580348  5951614044342 1 4    4241 1 4      C-13-H3C(O)CH3
  854693.9523  0.0165 -5.6952 3 1254.5731D84  59516140486 483 0    85 382 0      C-13-H3C(O)CH3
  854693.9523  0.0165 -4.3734 3 1254.5731D84  59516140486 483 0    85 482 0      C-13-H3C(O)CH3
  854693.9523  0.0165 -5.6952 3 1254.5731D84  59516140486 383 0    85 482 0      C-13-H3C(O)CH3
  854693.9523  0.0165 -4.3734 3 1254.5731D84  59516140486 383 0    85 382 0      C-13-H3C(O)CH3
  854714.4202  0.2929 -4.5731 3  939.6738952  595161404593425 2    583524 2      C-13-H3C(O)CH3
  854753.1133  0.0141 -3.5826 3  593.4273348  5951614044342 2 4    4241 2 4      C-13-H3C(O)CH3
  854767.1803  0.0146 -3.5827 3  593.4886348  5951614044342 2 3    4241 2 3      C-13-H3C(O)CH3
  854908.5558  0.7859 -5.5289 3 1226.8198A80  595161404674126 0    664225 0      C-13-H3C(O)CH3
  855211.2141  0.2239 -4.5705 3  939.6648952  595161404593425 0    583524 0      C-13-H3C(O)CH3
  855258.5160  0.0568 -5.2129 3 1158.7431B60  595161404722053 0    711952 0      C-13-H3C(O)CH3
  855258.5160  0.0568 -4.4477 3 1158.7431B60  595161404722053 0    712052 0      C-13-H3C(O)CH3
  855258.5160  0.0568 -5.2129 3 1158.7431B60  595161404721953 0    712052 0      C-13-H3C(O)CH3
  855258.5160  0.0568 -4.4477 3 1158.7431B60  595161404721953 0    711952 0      C-13-H3C(O)CH3
  855291.2941  0.0568 -5.7813 3 1158.7542B60  595161404721953 1    711952 1      C-13-H3C(O)CH3
  855291.2941  0.0568 -4.3965 3 1158.7542B60  595161404721953 1    712052 1      C-13-H3C(O)CH3
  855291.2941  0.0568 -4.3965 3 1158.7542B60  595161404722053 1    711952 1      C-13-H3C(O)CH3
  855291.2941  0.0568 -5.7813 3 1158.7542B60  595161404722053 1    712052 1      C-13-H3C(O)CH3
  855292.5510  0.0577 -4.3930 3 1158.7546B60  595161404721953 2    711952 2      C-13-H3C(O)CH3
  855292.5510  0.0577 -4.5657 3 1158.7546B60  595161404721953 2    712052 2      C-13-H3C(O)CH3
  855292.5510  0.0577 -5.8743 3 1158.7546B60  595161404722053 2    711952 2      C-13-H3C(O)CH3
  855292.5510  0.0577 -4.8353 3 1158.7546B60  595161404722053 2    712052 2      C-13-H3C(O)CH3
  855325.3660  0.0531 -4.6799 3 1158.7656580  595161404721953 3    711952 3      C-13-H3C(O)CH3
  855325.3660  0.0531 -4.7341 3 1158.7656580  595161404722053 3    711952 3      C-13-H3C(O)CH3
  855325.3660  0.0531 -5.6107 3 1158.7656580  595161404722053 3    712052 3      C-13-H3C(O)CH3
  855325.4248  0.0531 -4.6802 3 1158.7656580  595161404722053 4    711952 4      C-13-H3C(O)CH3
  855325.4248  0.0531 -4.6816 3 1158.7656580  595161404721953 4    712052 4      C-13-H3C(O)CH3
  855573.1803  0.2060 -6.0328 3 1410.6174B60  595161404724330 1    714427 1      C-13-H3C(O)CH3
  855584.4259  0.0905 -4.8559 3  631.8872388  595161404483217 4    473116 4      C-13-H3C(O)CH3
  855621.9148  0.1748 -6.0346 3 1410.6174B60  595161404724330 2    714427 2      C-13-H3C(O)CH3
  855628.9349  0.1988 -6.0366 3 1410.6058B60  595161404724330 0    714427 0      C-13-H3C(O)CH3
  855720.1916  0.0366 -4.4552 3 1233.2173C88  595161404801170 0    791069 0      C-13-H3C(O)CH3
  855720.1916  0.0366 -5.2629 3 1233.2173C88  595161404801070 0    791069 0      C-13-H3C(O)CH3
  855720.1916  0.0366 -4.4552 3 1233.2173C88  595161404801070 0    791169 0      C-13-H3C(O)CH3
  855720.1916  0.0366 -5.2629 3 1233.2173C88  595161404801170 0    791169 0      C-13-H3C(O)CH3
  855749.8284  0.0517 -5.2102 3 1233.2019C88  595161404801070 2    791169 2      C-13-H3C(O)CH3
  855749.8284  0.0517 -4.4639 3 1233.2019C88  595161404801070 2    791069 2      C-13-H3C(O)CH3
  855749.8284  0.0517 -5.2102 3 1233.2019C88  595161404801170 2    791069 2      C-13-H3C(O)CH3
  855749.8284  0.0517 -4.4639 3 1233.2019C88  595161404801170 2    791169 2      C-13-H3C(O)CH3
  855750.0056  0.0546 -4.4486 3 1233.2021C88  595161404801170 1    791169 1      C-13-H3C(O)CH3
  855750.0056  0.0546 -5.3070 3 1233.2021C88  595161404801170 1    791069 1      C-13-H3C(O)CH3
  855750.0056  0.0546 -5.3070 3 1233.2021C88  595161404801070 1    791169 1      C-13-H3C(O)CH3
  855750.0056  0.0546 -4.4486 3 1233.2021C88  595161404801070 1    791069 1      C-13-H3C(O)CH3
  855779.6629  0.0406 -5.9330 3 1233.1866644  595161404801170 3    791069 3      C-13-H3C(O)CH3
  855779.6629  0.0406 -4.7190 3 1233.1866644  595161404801170 3    791169 3      C-13-H3C(O)CH3
  855779.6629  0.0406 -5.9330 3 1233.1866644  595161404801070 3    791169 3      C-13-H3C(O)CH3
  855779.6629  0.0406 -4.7190 3 1233.1866644  595161404801070 3    791069 3      C-13-H3C(O)CH3
  855779.6991  0.0406 -5.2905 3 1233.1866644  595161404801170 4    791069 4      C-13-H3C(O)CH3
  855779.6991  0.0406 -4.8198 3 1233.1866644  595161404801070 4    791069 4      C-13-H3C(O)CH3
  855779.6991  0.0406 -4.8198 3 1233.1866644  595161404801170 4    791169 4      C-13-H3C(O)CH3
  855779.6991  0.0406 -5.2905 3 1233.1866644  595161404801070 4    791169 4      C-13-H3C(O)CH3
  855844.5675  0.0095 -4.6776 3  256.3299284  59516140435 926 4    34 727 4      C-13-H3C(O)CH3
  855844.5675  0.0095 -4.6776 3  256.3299284  595161404351026 4    34 827 4      C-13-H3C(O)CH3
  855845.0921  0.0084 -6.0630 3  256.3298284  595161404351026 3    34 727 3      C-13-H3C(O)CH3
  855845.0921  0.0084 -4.6948 3  256.3298284  595161404351026 3    34 827 3      C-13-H3C(O)CH3
  855845.0921  0.0084 -4.6793 3  256.3298284  59516140435 926 3    34 727 3      C-13-H3C(O)CH3
  855899.7342  0.0120 -4.7444 3 1259.4990700 -59516140487 385 4    86 284 4      C-13-H3C(O)CH3
  855899.7342  0.0120 -4.6530 3 1259.4990700 -59516140487 385 3    86 384 3      C-13-H3C(O)CH3
  855899.7342  0.0120 -4.6530 3 1259.4990700 -59516140487 285 3    86 284 3      C-13-H3C(O)CH3
  855899.7342  0.0120 -4.7444 3 1259.4990700 -59516140487 285 4    86 384 4      C-13-H3C(O)CH3
  855899.7402  0.0120 -5.3674 3 1259.4990700  59516140487 385 4    86 384 4      C-13-H3C(O)CH3
  855899.7402  0.0120 -5.3674 3 1259.4990700  59516140487 285 4    86 284 4      C-13-H3C(O)CH3
  855923.5189  0.0143 -4.5522 3 1259.5082E00 -59516140487 385 1    86 284 1      C-13-H3C(O)CH3
  855923.5189  0.0143 -4.7806 3 1259.5082E00 -59516140487 385 1    86 384 1      C-13-H3C(O)CH3
  855923.5189  0.0143 -4.5522 3 1259.5082E00 -59516140487 285 1    86 384 1      C-13-H3C(O)CH3
  855923.5189  0.0175 -4.8156 3 1259.5077E00 -59516140487 285 2    86 284 2      C-13-H3C(O)CH3
  855923.5189  0.0175 -4.5328 3 1259.5077E00 -59516140487 285 2    86 384 2      C-13-H3C(O)CH3
  855923.5189  0.0143 -4.7806 3 1259.5082E00 -59516140487 285 1    86 284 1      C-13-H3C(O)CH3
  855923.5189  0.0175 -4.5328 3 1259.5077E00 -59516140487 385 2    86 284 2      C-13-H3C(O)CH3
  855923.5189  0.0175 -4.8156 3 1259.5077E00 -59516140487 385 2    86 384 2      C-13-H3C(O)CH3
  855946.6749  0.0115 -4.4077 3 1259.5169E00  59516140487 285 0    86 384 0      C-13-H3C(O)CH3
  855946.6749  0.0115 -5.2593 3 1259.5169E00  59516140487 385 0    86 384 0      C-13-H3C(O)CH3
  855946.8105  0.0115 -4.4077 3 1259.5169E00 -59516140487 385 0    86 284 0      C-13-H3C(O)CH3
  855946.8105  0.0115 -5.2593 3 1259.5169E00 -59516140487 285 0    86 284 0      C-13-H3C(O)CH3
  856138.6864  0.0073 -4.4131 3  256.3358568  59516140435 926 2    34 827 2      C-13-H3C(O)CH3
  856138.6864  0.0073 -5.4523 3  256.3358568  595161404351026 2    34 827 2      C-13-H3C(O)CH3
  856138.6864  0.0073 -4.4131 3  256.3358568  595161404351026 2    34 727 2      C-13-H3C(O)CH3
  856138.6864  0.0073 -5.4523 3  256.3358568  59516140435 926 2    34 727 2      C-13-H3C(O)CH3
  856146.0937  0.0076 -4.5366 3  256.3367568  59516140435 926 1    34 727 1      C-13-H3C(O)CH3
  856146.0937  0.0076 -4.8832 3  256.3367568  59516140435 926 1    34 827 1      C-13-H3C(O)CH3
  856146.0937  0.0076 -4.8832 3  256.3367568  595161404351026 1    34 727 1      C-13-H3C(O)CH3
  856146.0937  0.0076 -4.5366 3  256.3367568  595161404351026 1    34 827 1      C-13-H3C(O)CH3
  856159.4210  0.0200 -5.9154 3  651.3924792  595161404493118 2    483018 2      C-13-H3C(O)CH3
  856226.2324  0.0122 -3.8191 3  626.9666776  595161404483117 0    473018 0      C-13-H3C(O)CH3
  856242.6152  0.0054 -3.3357 3  597.5046712 -5951614044440 5 0    4339 5 0      C-13-H3C(O)CH3
  856242.6152  0.0054 -3.3357 3  597.5046712 -5951614044440 4 0    4339 4 0      C-13-H3C(O)CH3
  856294.5311  0.0559 -4.3968 3 1172.3586B76  595161404731855 0    721854 0      C-13-H3C(O)CH3
  856294.5311  0.0559 -6.0406 3 1172.3586B76  595161404731955 0    721854 0      C-13-H3C(O)CH3
  856294.5311  0.0559 -4.3969 3 1172.3586B76  595161404731955 0    721954 0      C-13-H3C(O)CH3
  856294.5311  0.0559 -6.0450 3 1172.3586B76  595161404731855 0    721954 0      C-13-H3C(O)CH3
  856328.2596  0.0556 -5.8981 3 1172.3684B76  595161404731855 1    721854 1      C-13-H3C(O)CH3
  856328.2596  0.0556 -5.8981 3 1172.3684B76  595161404731955 1    721954 1      C-13-H3C(O)CH3
  856328.2596  0.0556 -4.4008 3 1172.3684B76  595161404731955 1    721854 1      C-13-H3C(O)CH3
  856328.2596  0.0556 -4.4008 3 1172.3684B76  595161404731855 1    721954 1      C-13-H3C(O)CH3
  856329.3334  0.0565 -4.5124 3 1172.3687B76  595161404731855 2    721854 2      C-13-H3C(O)CH3
  856329.3334  0.0565 -4.5124 3 1172.3687B76  595161404731955 2    721954 2      C-13-H3C(O)CH3
  856329.3334  0.0565 -4.9882 3 1172.3687B76  595161404731955 2    721854 2      C-13-H3C(O)CH3
  856329.3334  0.0565 -4.9882 3 1172.3687B76  595161404731855 2    721954 2      C-13-H3C(O)CH3
  856353.4888  0.0057 -3.3356 3  597.4779712 -5951614044440 5 2    4339 5 2      C-13-H3C(O)CH3
  856356.2588  0.0061 -3.3356 3  597.5120712 -5951614044440 4 2    4339 4 2      C-13-H3C(O)CH3
  856359.1951  0.0208 -5.7850 3  258.2126244  5951614043026 4 4    2923 6 4      C-13-H3C(O)CH3
  856363.0985  0.0528 -5.2250 3 1172.3785588  595161404731855 3    721854 3      C-13-H3C(O)CH3
  856363.0985  0.0528 -5.2250 3 1172.3785588  595161404731955 3    721954 3      C-13-H3C(O)CH3
  856363.0985  0.0528 -4.8372 3 1172.3785588  595161404731855 3    721954 3      C-13-H3C(O)CH3
  856363.0985  0.0528 -4.8372 3 1172.3785588  595161404731955 3    721854 3      C-13-H3C(O)CH3
  856363.1576  0.0528 -4.6941 3 1172.3785588  595161404731855 4    721954 4      C-13-H3C(O)CH3
  856363.1576  0.0528 -4.6915 3 1172.3785588  595161404731955 4    721854 4      C-13-H3C(O)CH3
  856381.3336  0.0631 -4.2052 3  631.8694776  595161404483217 2    473116 2      C-13-H3C(O)CH3
  856393.4563  0.0059 -3.3355 3  597.5318712 -5951614044440 4 1    4339 4 1      C-13-H3C(O)CH3
  856423.7307  0.0220 -5.7418 3  651.3842396  595161404493118 4    483018 4      C-13-H3C(O)CH3
  856425.4447  0.0170 -3.8329 3  626.9638776  595161404483117 1    473018 1      C-13-H3C(O)CH3
  856431.5322  0.0057 -3.3354 3  597.4783712 -5951614044440 5 1    4339 5 1      C-13-H3C(O)CH3
  856438.6268  0.0139 -4.1203 3  626.9657388  595161404483117 3    473018 3      C-13-H3C(O)CH3
  856439.1530  0.0071 -4.7245 3  256.3427568  59516140435 926 0    34 827 0      C-13-H3C(O)CH3
  856439.1530  0.0071 -4.6321 3  256.3427568  59516140435 926 0    34 727 0      C-13-H3C(O)CH3
  856439.1530  0.0071 -4.6321 3  256.3427568  595161404351026 0    34 827 0      C-13-H3C(O)CH3
  856439.1530  0.0071 -4.7245 3  256.3427568  595161404351026 0    34 727 0      C-13-H3C(O)CH3
  856503.7720  0.0082 -3.6365 3  597.5051356  5951614044440 4 3    4339 4 3      C-13-H3C(O)CH3
  856505.3976  0.0178 -4.7200 3  349.5946584  595161404362512 1    352213 1      C-13-H3C(O)CH3
  856506.5936  0.0089 -3.6365 3  597.5391356  5951614044440 4 4    4339 4 4      C-13-H3C(O)CH3
  856539.7331  0.0217 -3.8465 3  626.9650776  595161404483117 2    473018 2      C-13-H3C(O)CH3
  856542.0458  0.0086 -3.6364 3  597.4516356  5951614044440 5 4    4339 5 4      C-13-H3C(O)CH3
  856544.2283  0.0085 -3.6364 3  597.4857356  5951614044440 5 3    4339 5 3      C-13-H3C(O)CH3
  856551.1640  0.0182 -5.7814 3  258.1929244  5951614043026 5 3    2923 6 3      C-13-H3C(O)CH3
  856592.3842  0.5486 -5.1779 3 1009.2764492  595161404613625 3    603724 3      C-13-H3C(O)CH3
  856633.4155  0.0264 -5.1740 3  349.5670292  595161404362512 4    352213 4      C-13-H3C(O)CH3
  856642.4402  0.5232 -5.1786 3 1009.2750492  595161404613625 4    603724 4      C-13-H3C(O)CH3
  856647.5365  0.0402 -4.0451 3  631.8582776  595161404483217 1    473116 1      C-13-H3C(O)CH3
  856751.1418  0.0299 -5.1208 3  349.5675292  595161404362512 3    352213 3      C-13-H3C(O)CH3
  856753.2043  0.0165 -4.6970 3  349.6116584  595161404362512 0    352213 0      C-13-H3C(O)CH3
  856829.9291  0.0171 -5.4845 3  258.2320488  5951614043026 4 1    2923 6 1      C-13-H3C(O)CH3
  856832.3070  0.0194 -5.9541 3  349.5946584  595161404362511 1    352213 1      C-13-H3C(O)CH3
  856895.1812  0.0379 -4.3973 3 1241.9392D04 -59516140481 972 0    80 971 0      C-13-H3C(O)CH3
  856895.1812  0.0379 -4.3973 3 1241.9392D04 -595161404811072 0    801071 0      C-13-H3C(O)CH3
  856922.5235  0.0567 -4.6407 3 1241.9192D04  595161404811072 2    80 971 2      C-13-H3C(O)CH3
  856922.5235  0.0567 -4.7602 3 1241.9192D04  59516140481 972 2    80 971 2      C-13-H3C(O)CH3
  856922.5235  0.0567 -4.6407 3 1241.9192D04  59516140481 972 2    801071 2      C-13-H3C(O)CH3
  856922.5235  0.0567 -4.7602 3 1241.9192D04  595161404811072 2    801071 2      C-13-H3C(O)CH3
  856922.6788  0.0597 -5.5833 3 1241.9194D04  59516140481 972 1    801071 1      C-13-H3C(O)CH3
  856922.6788  0.0597 -4.4244 3 1241.9194D04  59516140481 972 1    80 971 1      C-13-H3C(O)CH3
  856922.6788  0.0597 -5.5833 3 1241.9194D04  595161404811072 1    80 971 1      C-13-H3C(O)CH3
  856922.6788  0.0597 -4.4244 3 1241.9194D04  595161404811072 1    801071 1      C-13-H3C(O)CH3
  856927.4994  0.0229 -4.8535 3  349.5843584  595161404362512 2    352213 2      C-13-H3C(O)CH3
  856948.1895  0.0395 -4.9105 3 1241.8993652  59516140481 972 3    80 971 3      C-13-H3C(O)CH3
  856948.1895  0.0395 -5.1059 3 1241.8993652  595161404811072 3    80 971 3      C-13-H3C(O)CH3
  856948.1895  0.0395 -5.1059 3 1241.8993652  59516140481 972 3    801071 3      C-13-H3C(O)CH3
  856948.1895  0.0395 -4.9105 3 1241.8993652  595161404811072 3    801071 3      C-13-H3C(O)CH3
  856948.2150  0.0395 -4.8938 3 1241.8993652  59516140481 972 4    801071 4      C-13-H3C(O)CH3
  856948.2150  0.0395 -5.1335 3 1241.8993652  595161404811072 4    801071 4      C-13-H3C(O)CH3
  856948.2150  0.0395 -4.8938 3 1241.8993652  595161404811072 4    80 971 4      C-13-H3C(O)CH3
  856948.2150  0.0395 -5.1335 3 1241.8993652  59516140481 972 4    80 971 4      C-13-H3C(O)CH3
  856950.5206  0.0082 -3.7384 3  631.8493776 -595161404483217 0    473116 0      C-13-H3C(O)CH3
  856956.9362  0.0187 -5.7838 3  258.1901244  5951614043026 4 3    2923 7 3      C-13-H3C(O)CH3
  856996.6818  0.0163 -5.4871 3  258.2452488  5951614043026 4 2    2923 6 2      C-13-H3C(O)CH3
  857024.0715  0.0455 -4.1972 3  626.9588388  595161404483117 4    473018 4      C-13-H3C(O)CH3
  857146.4410  0.0204 -5.7803 3  258.1704244  5951614043026 5 4    2923 7 4      C-13-H3C(O)CH3
  857162.5881  0.0125 -5.0427 3 1263.9539708  59516140488 287 3    87 286 3      C-13-H3C(O)CH3
  857162.5881  0.0125 -4.8724 3 1263.9539708  59516140488 187 3    87 286 3      C-13-H3C(O)CH3
  857162.5881  0.0125 -4.8724 3 1263.9539708  59516140488 287 3    87 186 3      C-13-H3C(O)CH3
  857162.5881  0.0125 -5.0427 3 1263.9539708  59516140488 187 3    87 186 3      C-13-H3C(O)CH3
  857162.6101  0.0125 -5.0000 3 1263.9540708  59516140488 187 4    87 186 4      C-13-H3C(O)CH3
  857162.6101  0.0125 -4.9038 3 1263.9540708  59516140488 187 4    87 286 4      C-13-H3C(O)CH3
  857162.6101  0.0125 -5.0000 3 1263.9540708  59516140488 287 4    87 286 4      C-13-H3C(O)CH3
  857162.6101  0.0125 -4.9038 3 1263.9540708  59516140488 287 4    87 186 4      C-13-H3C(O)CH3
  857167.8492  0.0143 -5.6879 3  219.9796276  59516140434 628 4    33 429 4      C-13-H3C(O)CH3
  857167.8492  0.0143 -5.0590 3  219.9796276  59516140434 628 4    33 529 4      C-13-H3C(O)CH3
  857167.8492  0.0143 -5.0590 3  219.9796276  59516140434 728 4    33 429 4      C-13-H3C(O)CH3
  857167.8492  0.0143 -5.6879 3  219.9796276  59516140434 728 4    33 529 4      C-13-H3C(O)CH3
  857168.1633  0.0127 -5.4618 3  219.9796276  59516140434 728 3    33 529 3      C-13-H3C(O)CH3
  857168.1633  0.0127 -5.1350 3  219.9796276  59516140434 728 3    33 429 3      C-13-H3C(O)CH3
  857168.1633  0.0127 -5.1350 3  219.9796276  59516140434 628 3    33 529 3      C-13-H3C(O)CH3
  857168.1633  0.0127 -5.4618 3  219.9796276  59516140434 628 3    33 429 3      C-13-H3C(O)CH3
  857182.0594  0.0201 -4.3485 3 1263.9359E16  59516140488 287 2    87 286 2      C-13-H3C(O)CH3
  857182.0594  0.0201 -4.3493 3 1263.9359E16  59516140488 187 2    87 186 2      C-13-H3C(O)CH3
  857182.1193  0.0158 -4.8817 3 1263.9363E16 -59516140488 187 1    87 186 1      C-13-H3C(O)CH3
  857182.1193  0.0158 -4.8817 3 1263.9363E16 -59516140488 287 1    87 286 1      C-13-H3C(O)CH3
  857182.2594  0.0158 -4.4971 3 1263.9363E16  59516140488 187 1    87 286 1      C-13-H3C(O)CH3
  857182.2594  0.0158 -4.4971 3 1263.9363E16  59516140488 287 1    87 186 1      C-13-H3C(O)CH3
  857185.2158  0.0169 -5.4835 3  258.2255488  5951614043026 5 2    2923 7 2      C-13-H3C(O)CH3
  857201.6803  0.0121 -4.8714 3 1263.9183E16  59516140488 187 0    87 186 0      C-13-H3C(O)CH3
  857201.6803  0.0121 -4.5014 3 1263.9183E16  59516140488 287 0    87 186 0      C-13-H3C(O)CH3
  857201.6863  0.0121 -4.5014 3 1263.9183E16 -59516140488 187 0    87 286 0      C-13-H3C(O)CH3
  857201.6863  0.0121 -4.8714 3 1263.9183E16 -59516140488 287 0    87 286 0      C-13-H3C(O)CH3
  857243.5843  0.0367 -4.1060 3  631.8628388  595161404483217 3    473116 3      C-13-H3C(O)CH3
  857300.8829  0.0314 -5.6011 3  349.5675292  595161404362511 3    352213 3      C-13-H3C(O)CH3
  857352.7335  0.0542 -4.3996 3 1185.4266B92  595161404741857 0    731756 0      C-13-H3C(O)CH3
  857352.7335  0.0542 -4.3996 3 1185.4266B92  595161404741757 0    731856 0      C-13-H3C(O)CH3
  857387.3795  0.0537 -5.6762 3 1185.4348B92  595161404741857 1    731756 1      C-13-H3C(O)CH3
  857387.3795  0.0537 -4.4184 3 1185.4348B92  595161404741757 1    731756 1      C-13-H3C(O)CH3
  857387.3795  0.0537 -5.6762 3 1185.4348B92  595161404741757 1    731856 1      C-13-H3C(O)CH3
  857387.3795  0.0537 -4.4184 3 1185.4348B92  595161404741857 1    731856 1      C-13-H3C(O)CH3
  857388.2540  0.0547 -4.3957 3 1185.4350B92  595161404741857 2    731756 2      C-13-H3C(O)CH3
  857388.2540  0.0547 -4.3957 3 1185.4350B92  595161404741757 2    731856 2      C-13-H3C(O)CH3
  857422.9363  0.0521 -4.9643 3 1185.4432596  595161404741757 3    731856 3      C-13-H3C(O)CH3
  857422.9363  0.0521 -5.0327 3 1185.4432596  595161404741857 3    731856 3      C-13-H3C(O)CH3
  857422.9363  0.0521 -4.9643 3 1185.4432596  595161404741857 3    731756 3      C-13-H3C(O)CH3
  857422.9363  0.0521 -5.0327 3 1185.4432596  595161404741757 3    731756 3      C-13-H3C(O)CH3
  857422.9956  0.0521 -5.3561 3 1185.4432596  595161404741757 4    731756 4      C-13-H3C(O)CH3
  857422.9956  0.0521 -5.3561 3 1185.4432596  595161404741857 4    731856 4      C-13-H3C(O)CH3
  857422.9956  0.0521 -4.8033 3 1185.4432596  595161404741757 4    731856 4      C-13-H3C(O)CH3
  857422.9956  0.0521 -4.8033 3 1185.4432596  595161404741857 4    731756 4      C-13-H3C(O)CH3
  857424.3238  0.0170 -5.4833 3  258.2095488  5951614043026 5 1    2923 7 1      C-13-H3C(O)CH3
  857447.7661  0.0352 -5.4706 3  349.5670292  595161404362511 4    352213 4      C-13-H3C(O)CH3
  857468.6042  0.0171 -5.4875 3  258.2645488  5951614043026 5 0    2923 6 0      C-13-H3C(O)CH3
  857469.1481  0.0171 -5.4875 3  258.2645488  5951614043026 4 0    2923 7 0      C-13-H3C(O)CH3
  857471.3092  0.0416 -4.3436 3 1019.5752A16  595161404632934 0    623033 0      C-13-H3C(O)CH3
  857471.3249  0.0416 -4.3436 3 1019.5752A16  595161404633034 0    622933 0      C-13-H3C(O)CH3
  857505.1172  0.0421 -4.3437 3 1019.5878A16  595161404632934 1    623033 1      C-13-H3C(O)CH3
  857505.1364  0.0421 -4.3437 3 1019.5878A16  595161404633034 1    622933 1      C-13-H3C(O)CH3
  857508.1570  0.0446 -4.3437 3 1019.5892A16  595161404632934 2    623033 2      C-13-H3C(O)CH3
  857508.1744  0.0446 -4.3437 3 1019.5892A16  595161404633034 2    622933 2      C-13-H3C(O)CH3
  857534.4507  0.0289 -5.8614 3  298.8935268  5951614043325 9 3    322210 3      C-13-H3C(O)CH3
  857542.0156  0.0434 -4.6448 3 1019.6019508  595161404632934 3    623033 3      C-13-H3C(O)CH3
  857542.0369  0.0434 -4.6448 3 1019.6019508  595161404633034 3    622933 3      C-13-H3C(O)CH3
  857542.0786  0.0434 -4.6448 3 1019.6019508  595161404632934 4    623033 4      C-13-H3C(O)CH3
  857542.0997  0.0434 -4.6448 3 1019.6019508  595161404633034 4    622933 4      C-13-H3C(O)CH3
  857556.3242  0.4198 -4.8737 3 1009.2584984  595161404613625 1    603724 1      C-13-H3C(O)CH3
  857597.3936  0.0449 -4.3461 3 1039.0404A32  595161404642836 0    632935 0      C-13-H3C(O)CH3
  857597.3938  0.0449 -4.3461 3 1039.0404A32  595161404642936 0    632835 0      C-13-H3C(O)CH3
  857607.9363  0.0280 -5.2169 3  349.5843584  595161404362511 2    352213 2      C-13-H3C(O)CH3
  857619.7986  0.0306 -5.7378 3  298.8921268  5951614043325 9 4    322210 4      C-13-H3C(O)CH3
  857628.3989  0.0454 -4.3462 3 1039.0540A32  595161404642836 1    632935 1      C-13-H3C(O)CH3
  857628.3992  0.0454 -4.3462 3 1039.0540A32  595161404642936 1    632835 1      C-13-H3C(O)CH3
  857630.9663  0.0476 -4.3462 3 1039.0552A32  595161404642836 2    632935 2      C-13-H3C(O)CH3
  857630.9666  0.0476 -4.3462 3 1039.0552A32  595161404642936 2    632835 2      C-13-H3C(O)CH3
  857640.7650  0.0192 -5.4972 3  298.9128536  5951614043325 9 1    322210 1      C-13-H3C(O)CH3
  857662.0155  0.0457 -4.6473 3 1039.0689516  595161404642836 3    632935 3      C-13-H3C(O)CH3
  857662.0159  0.0457 -4.6473 3 1039.0689516  595161404642936 3    632835 3      C-13-H3C(O)CH3
  857662.0734  0.0457 -4.6473 3 1039.0689516  595161404642836 4    632935 4      C-13-H3C(O)CH3
  857662.0738  0.0457 -4.6473 3 1039.0689516  595161404642936 4    632835 4      C-13-H3C(O)CH3
  857670.6465  0.0321 -4.3421 3  465.3566340  595161404422418 3    412319 3      C-13-H3C(O)CH3
  857671.5570  0.0112 -4.6662 3  219.9631552  59516140434 728 2    33 429 2      C-13-H3C(O)CH3
  857671.5570  0.0112 -4.6662 3  219.9631552  59516140434 628 2    33 529 2      C-13-H3C(O)CH3
  857676.3331  0.0121 -4.6673 3  219.9637552  59516140434 628 1    33 529 1      C-13-H3C(O)CH3
  857676.3331  0.0121 -4.6673 3  219.9637552  59516140434 728 1    33 429 1      C-13-H3C(O)CH3
  857678.8754  0.0322 -4.3421 3  465.3565340  595161404422418 4    412319 4      C-13-H3C(O)CH3
  857696.9037  0.6004 -4.8734 3 1009.2583984  595161404613625 2    603724 2      C-13-H3C(O)CH3
  857698.6893  0.0306 -4.0414 3  465.3780680  595161404422418 2    412319 2      C-13-H3C(O)CH3
  857706.1151  0.0201 -5.4286 3  298.8921268  5951614043325 8 4    322210 4      C-13-H3C(O)CH3
  857710.8897  0.0189 -5.3773 3  298.8935268  5951614043325 8 3    322210 3      C-13-H3C(O)CH3
  857738.4518  0.0383 -4.3451 3  999.4318A00  595161404623032 0    613131 0      C-13-H3C(O)CH3
  857739.1912  0.0383 -4.3451 3  999.4317A00  595161404623132 0    613031 0      C-13-H3C(O)CH3
  857773.3547  0.0147 -5.1012 3  298.9128536  5951614043325 8 1    322210 1      C-13-H3C(O)CH3
  857776.6853  0.0388 -4.3452 3  999.4432A00  595161404623032 1    613131 1      C-13-H3C(O)CH3
  857777.5330  0.0388 -4.3452 3  999.4431A00  595161404623132 1    613031 1      C-13-H3C(O)CH3
  857780.5873  0.0415 -4.3452 3  999.4445A00  595161404623032 2    613131 2      C-13-H3C(O)CH3
  857781.3928  0.0414 -4.3452 3  999.4445A00  595161404623132 2    613031 2      C-13-H3C(O)CH3
  857795.9637  0.0832 -4.1524 3  731.2989840  595161404523221 0    513120 0      C-13-H3C(O)CH3
  857802.0591  0.0229 -5.7047 3  183.0059268  59516140433 330 3    32 231 3      C-13-H3C(O)CH3
  857802.0591  0.0229 -5.7047 3  183.0059268  59516140433 430 3    32 131 3      C-13-H3C(O)CH3
  857802.5814  0.0248 -6.0355 3  183.0059268  59516140433 430 4    32 231 4      C-13-H3C(O)CH3
  857802.5814  0.0248 -5.7617 3  183.0059268  59516140433 330 4    32 231 4      C-13-H3C(O)CH3
  857802.5814  0.0248 -5.7617 3  183.0059268  59516140433 430 4    32 131 4      C-13-H3C(O)CH3
  857802.5814  0.0248 -6.0355 3  183.0059268  59516140433 330 4    32 131 4      C-13-H3C(O)CH3
  857806.6403  0.5665 -6.0685 3 1466.0410B76  595161404734628 1    724725 1      C-13-H3C(O)CH3
  857818.8808  0.0410 -4.6463 3  999.4559500  595161404623032 3    613131 3      C-13-H3C(O)CH3
  857818.9553  0.0410 -4.6463 3  999.4559500  595161404623032 4    613131 4      C-13-H3C(O)CH3
  857819.8037  0.0409 -4.6463 3  999.4559500  595161404623132 3    613031 3      C-13-H3C(O)CH3
  857819.8738  0.0409 -4.6463 3  999.4559500  595161404623132 4    613031 4      C-13-H3C(O)CH3
  857905.4853  0.0164 -4.0414 3  465.3829680  595161404422418 1    412319 1      C-13-H3C(O)CH3
  857931.0923  0.0168 -4.0417 3  465.4044680  595161404422418 0    412319 0      C-13-H3C(O)CH3
  857944.2327  0.0054 -3.3997 3  603.1473728 -5951614044538 8 0    4437 7 0      C-13-H3C(O)CH3
  857944.2327  0.0054 -3.3997 3  603.1473728 -5951614044538 7 0    4437 8 0      C-13-H3C(O)CH3
  857975.0741  0.0126 -4.0329 3  631.8582776 -595161404483216 1    473116 1      C-13-H3C(O)CH3
  857980.8317  0.0482 -4.3512 3 1057.8634A48  595161404652738 0    642837 0      C-13-H3C(O)CH3
  857980.8317  0.0482 -4.3512 3 1057.8634A48  595161404652838 0    642737 0      C-13-H3C(O)CH3
  857990.9435  0.0203 -5.2776 3  298.9173536  5951614043325 9 2    322210 2      C-13-H3C(O)CH3
  858007.6466  0.0060 -3.3997 3  603.1593728 -5951614044538 7 2    4437 7 2      C-13-H3C(O)CH3
  858010.0706  0.0487 -4.3513 3 1057.8776A48  595161404652838 1    642737 1      C-13-H3C(O)CH3
  858010.0706  0.0487 -4.3513 3 1057.8776A48  595161404652738 1    642837 1      C-13-H3C(O)CH3
  858012.3678  0.0506 -4.3514 3 1057.8788A48  595161404652738 2    642837 2      C-13-H3C(O)CH3
  858012.3678  0.0506 -4.3514 3 1057.8788A48  595161404652838 2    642737 2      C-13-H3C(O)CH3
  858035.2166  0.0200 -5.2371 3  298.9173536  5951614043325 8 2    322210 2      C-13-H3C(O)CH3
  858041.5889  0.0060 -3.3997 3  603.1394728 -5951614044538 8 2    4437 8 2      C-13-H3C(O)CH3
  858041.6468  0.0479 -4.6523 3 1057.8931524  595161404652738 3    642837 3      C-13-H3C(O)CH3
  858041.6468  0.0479 -4.6523 3 1057.8931524  595161404652838 3    642737 3      C-13-H3C(O)CH3
  858041.7019  0.0479 -4.6523 3 1057.8931524  595161404652738 4    642837 4      C-13-H3C(O)CH3
  858041.7019  0.0479 -4.6523 3 1057.8931524  595161404652838 4    642737 4      C-13-H3C(O)CH3
  858049.7839  0.0143 -3.9184 3  631.8694776 -595161404483216 2    473116 2      C-13-H3C(O)CH3
  858058.1912  0.0065 -4.0192 3  383.8881632  595161404391920 0    381821 0      C-13-H3C(O)CH3
  858068.1862  0.0061 -3.3996 3  603.1638728 -5951614044538 7 1    4437 7 1      C-13-H3C(O)CH3
  858070.5445  0.0078 -4.0190 3  383.8594632  595161404391920 2    381821 2      C-13-H3C(O)CH3
  858076.0675  0.0133 -4.9567 3  298.9371536  5951614043325 9 0    322210 0      C-13-H3C(O)CH3
  858078.2979  0.0150 -4.8783 3  631.8628388  595161404483216 3    473116 3      C-13-H3C(O)CH3
  858082.8610  0.0065 -4.0192 3  383.8881632  595161404392020 0    381721 0      C-13-H3C(O)CH3
  858083.1026  0.0394 -4.3979 3 1250.1282D20 -59516140482 974 0    81 873 0      C-13-H3C(O)CH3
  858083.1026  0.0394 -4.3979 3 1250.1282D20 -59516140482 874 0    81 973 0      C-13-H3C(O)CH3
  858089.5595  0.0059 -3.3996 3  603.1257728 -5951614044538 8 1    4437 8 1      C-13-H3C(O)CH3
  858094.8009  0.0070 -4.0190 3  383.8623632  595161404391920 1    381821 1      C-13-H3C(O)CH3
  858096.4866  0.0078 -4.0190 3  383.8594632  595161404392020 2    381721 2      C-13-H3C(O)CH3
  858099.3306  0.5599 -6.0409 3 1466.0024B76  595161404734628 0    724725 0      C-13-H3C(O)CH3
  858107.1447  0.0607 -4.4851 3 1250.1036D20  59516140482 974 2    81 973 2      C-13-H3C(O)CH3
  858107.1447  0.0607 -5.1369 3 1250.1036D20  59516140482 874 2    81 973 2      C-13-H3C(O)CH3
  858107.1447  0.0607 -4.4851 3 1250.1036D20  59516140482 874 2    81 873 2      C-13-H3C(O)CH3
  858107.1447  0.0607 -5.1369 3 1250.1036D20  59516140482 974 2    81 873 2      C-13-H3C(O)CH3
  858107.2332  0.0635 -4.3990 3 1250.1037D20  59516140482 874 1    81 973 1      C-13-H3C(O)CH3
  858107.2332  0.0635 -4.3990 3 1250.1037D20  59516140482 974 1    81 873 1      C-13-H3C(O)CH3
  858107.2899  0.0086 -4.3198 3  383.8335316  595161404391920 3    381821 3      C-13-H3C(O)CH3
  858107.2981  0.0086 -4.3198 3  383.8335316  595161404391920 4    381821 4      C-13-H3C(O)CH3
  858119.8813  0.0070 -4.0190 3  383.8623632  595161404392020 1    381721 1      C-13-H3C(O)CH3
  858127.3598  0.0382 -5.0423 3 1250.0791660  59516140482 874 3    81 873 3      C-13-H3C(O)CH3
  858127.3598  0.0382 -5.0423 3 1250.0791660  59516140482 974 3    81 973 3      C-13-H3C(O)CH3
  858127.3598  0.0382 -4.9609 3 1250.0791660  59516140482 974 3    81 873 3      C-13-H3C(O)CH3
  858127.3598  0.0382 -4.9609 3 1250.0791660  59516140482 874 3    81 973 3      C-13-H3C(O)CH3
  858127.3720  0.0382 -4.7626 3 1250.0790660  59516140482 974 4    81 973 4      C-13-H3C(O)CH3
  858127.3720  0.0382 -4.7626 3 1250.0790660  59516140482 874 4    81 873 4      C-13-H3C(O)CH3
  858127.3720  0.0382 -5.5620 3 1250.0790660  59516140482 874 4    81 973 4      C-13-H3C(O)CH3
  858127.3720  0.0382 -5.5620 3 1250.0790660  59516140482 974 4    81 873 4      C-13-H3C(O)CH3
  858131.0676  0.0088 -3.7006 3  603.1757364  5951614044538 7 4    4437 7 4      C-13-H3C(O)CH3
  858133.6073  0.0086 -4.3198 3  383.8334316  595161404392020 4    381721 4      C-13-H3C(O)CH3
  858133.6728  0.0086 -4.3198 3  383.8335316  595161404392020 3    381721 3      C-13-H3C(O)CH3
  858152.6682  0.0083 -3.7006 3  603.1377364  5951614044538 8 3    4437 8 3      C-13-H3C(O)CH3
  858165.2872  0.0082 -3.7006 3  603.1560364  5951614044538 7 3    4437 7 3      C-13-H3C(O)CH3
  858178.7072  0.0106 -4.7372 3  219.9473552  59516140434 728 0    33 429 0      C-13-H3C(O)CH3
  858178.7072  0.0106 -5.4788 3  219.9473552  59516140434 728 0    33 529 0      C-13-H3C(O)CH3
  858178.7072  0.0106 -4.7372 3  219.9473552  59516140434 628 0    33 529 0      C-13-H3C(O)CH3
  858178.7072  0.0106 -5.4788 3  219.9473552  59516140434 628 0    33 429 0      C-13-H3C(O)CH3
  858187.2448  0.0082 -3.7006 3  603.1177364  5951614044538 8 4    4437 8 4      C-13-H3C(O)CH3
  858275.4529  0.0152 -4.1098 3  631.8872388  595161404483216 4    473116 4      C-13-H3C(O)CH3
  858427.1765  0.0708 -4.1508 3  731.2805840  595161404523221 1    513120 1      C-13-H3C(O)CH3
  858430.3630  0.0519 -4.4462 3 1197.9498C08  595161404751759 0    741658 0      C-13-H3C(O)CH3
  858430.3630  0.0519 -5.4218 3 1197.9498C08  595161404751759 0    741758 0      C-13-H3C(O)CH3
  858430.3630  0.0519 -4.4462 3 1197.9498C08  595161404751659 0    741758 0      C-13-H3C(O)CH3
  858430.3630  0.0519 -5.4218 3 1197.9498C08  595161404751659 0    741658 0      C-13-H3C(O)CH3
  858446.8108  0.0210 -5.8829 3 1267.8944716  59516140489 189 4    88 188 4      C-13-H3C(O)CH3
  858446.8108  0.0210 -5.8829 3 1267.8944716  59516140489 089 4    88 088 4      C-13-H3C(O)CH3
  858446.8328  0.0211 -5.3039 3 1267.8944716  59516140489 089 3    88 188 3      C-13-H3C(O)CH3
  858446.8328  0.0211 -4.7513 3 1267.8944716  59516140489 189 3    88 188 3      C-13-H3C(O)CH3
  858446.8824  0.0210 -4.6698 3 1267.8944716 -59516140489 189 4    88 088 4      C-13-H3C(O)CH3
  858446.8824  0.0211 -4.7513 3 1267.8944716 -59516140489 089 3    88 088 3      C-13-H3C(O)CH3
  858446.8824  0.0211 -5.3039 3 1267.8944716 -59516140489 189 3    88 088 3      C-13-H3C(O)CH3
  858446.8824  0.0210 -4.6698 3 1267.8944716 -59516140489 089 4    88 188 4      C-13-H3C(O)CH3
  858449.2161  0.0345 -4.7905 3 1267.8325E32 -59516140489 089 2    88 088 2      C-13-H3C(O)CH3
  858449.2161  0.0345 -4.4552 3 1267.8325E32 -59516140489 089 2    88 188 2      C-13-H3C(O)CH3
  858449.2161  0.0252 -6.0196 3 1267.8326E32 -59516140489 089 1    88 088 1      C-13-H3C(O)CH3
  858449.2161  0.0252 -4.3521 3 1267.8326E32 -59516140489 089 1    88 188 1      C-13-H3C(O)CH3
  858449.2161  0.0345 -4.9853 3 1267.8325E32 -59516140489 189 2    88 188 2      C-13-H3C(O)CH3
  858449.2161  0.0345 -4.5345 3 1267.8325E32 -59516140489 189 2    88 088 2      C-13-H3C(O)CH3
  858449.2161  0.0252 -6.0196 3 1267.8326E32 -59516140489 189 1    88 188 1      C-13-H3C(O)CH3
  858449.2161  0.0252 -4.3521 3 1267.8326E32 -59516140489 189 1    88 088 1      C-13-H3C(O)CH3
  858449.4098  0.0139 -4.8865 3  320.9495568  595161404352213 2    341916 2      C-13-H3C(O)CH3
  858451.6471  0.0221 -4.3538 3 1267.7709E32  59516140489 189 0    88 088 0      C-13-H3C(O)CH3
  858451.6471  0.0221 -4.3538 3 1267.7709E32  59516140489 089 0    88 188 0      C-13-H3C(O)CH3
  858451.8374  0.0221 -5.9445 3 1267.7709E32 -59516140489 089 0    88 088 0      C-13-H3C(O)CH3
  858451.8374  0.0221 -5.9445 3 1267.7709E32 -59516140489 189 0    88 188 0      C-13-H3C(O)CH3
  858455.1831  0.3982 -5.0179 3  974.1785484  595161404603525 3    593624 3      C-13-H3C(O)CH3
  858459.7508  0.0123 -4.8883 3  320.9765568  595161404352213 0    341916 0      C-13-H3C(O)CH3
  858465.8034  0.0514 -5.2017 3 1197.9561C08  595161404751759 1    741658 1      C-13-H3C(O)CH3
  858465.8034  0.0514 -4.4777 3 1197.9561C08  595161404751659 1    741658 1      C-13-H3C(O)CH3
  858465.8034  0.0514 -5.2017 3 1197.9561C08  595161404751659 1    741758 1      C-13-H3C(O)CH3
  858465.8034  0.0514 -4.4777 3 1197.9561C08  595161404751759 1    741758 1      C-13-H3C(O)CH3
  858466.4692  0.0522 -4.5630 3 1197.9562C08  595161404751659 2    741658 2      C-13-H3C(O)CH3
  858466.4692  0.0522 -4.9127 3 1197.9562C08  595161404751659 2    741758 2      C-13-H3C(O)CH3
  858466.4692  0.0522 -4.9127 3 1197.9562C08  595161404751759 2    741658 2      C-13-H3C(O)CH3
  858466.4692  0.0522 -4.5630 3 1197.9562C08  595161404751759 2    741758 2      C-13-H3C(O)CH3
  858488.8143  0.3827 -5.0181 3  974.1776484  595161404603525 4    593624 4      C-13-H3C(O)CH3
  858501.9452  0.0511 -4.7377 3 1197.9625604  595161404751659 3    741658 3      C-13-H3C(O)CH3
  858501.9452  0.0511 -5.1385 3 1197.9625604  595161404751659 3    741758 3      C-13-H3C(O)CH3
  858501.9452  0.0511 -5.8250 3 1197.9625604  595161404751759 3    741658 3      C-13-H3C(O)CH3
  858501.9452  0.0511 -4.9024 3 1197.9625604  595161404751759 3    741758 3      C-13-H3C(O)CH3
  858502.0042  0.0511 -5.0142 3 1197.9625604  595161404751659 4    741658 4      C-13-H3C(O)CH3
  858502.0042  0.0511 -5.0142 3 1197.9625604  595161404751759 4    741758 4      C-13-H3C(O)CH3
  858502.0042  0.0511 -4.9953 3 1197.9625604  595161404751759 4    741658 4      C-13-H3C(O)CH3
  858502.0042  0.0511 -4.9953 3 1197.9625604  595161404751659 4    741758 4      C-13-H3C(O)CH3
  858518.6019  0.0181 -5.3784 3  298.8607268  5951614043325 9 3    322211 3      C-13-H3C(O)CH3
  858527.5533  0.0208 -5.4242 3  298.8619268  5951614043325 9 4    322211 4      C-13-H3C(O)CH3
  858541.4876  0.0514 -4.3610 3 1076.0688A64  595161404662640 0    652739 0      C-13-H3C(O)CH3
  858541.4876  0.0514 -4.3595 3 1076.0688A64  595161404662740 0    652639 0      C-13-H3C(O)CH3
  858566.3902  0.0112 -4.0319 3  631.7942776 -595161404483217 1    473117 1      C-13-H3C(O)CH3
  858569.6822  0.0519 -5.5074 3 1076.0834A64  595161404662640 1    652739 1      C-13-H3C(O)CH3
  858569.6822  0.0519 -4.3952 3 1076.0834A64  595161404662640 1    652639 1      C-13-H3C(O)CH3
  858569.6822  0.0519 -5.4440 3 1076.0834A64  595161404662740 1    652639 1      C-13-H3C(O)CH3
  858569.6822  0.0519 -4.3899 3 1076.0834A64  595161404662740 1    652739 1      C-13-H3C(O)CH3
  858570.3773  0.0151 -5.1879 3  320.9282284  595161404352213 4    341916 4      C-13-H3C(O)CH3
  858571.8188  0.0535 -4.4380 3 1076.0846A64  595161404662640 2    652739 2      C-13-H3C(O)CH3
  858571.8188  0.0535 -5.1320 3 1076.0846A64  595161404662740 2    652739 2      C-13-H3C(O)CH3
  858571.8188  0.0535 -4.4380 3 1076.0846A64  595161404662740 2    652639 2      C-13-H3C(O)CH3
  858571.8188  0.0535 -5.1320 3 1076.0846A64  595161404662640 2    652639 2      C-13-H3C(O)CH3
  858579.6617  0.0113 -3.9173 3  631.7961776 -595161404483217 2    473117 2      C-13-H3C(O)CH3
  858582.0342  0.0143 -5.0995 3  298.8814536  5951614043325 9 1    322211 1      C-13-H3C(O)CH3
  858585.0777  0.0165 -5.1880 3  320.9282284  595161404352213 3    341916 3      C-13-H3C(O)CH3
  858588.4917  0.0132 -4.8888 3  320.9551568  595161404352213 1    341916 1      C-13-H3C(O)CH3
  858597.8688  0.0283 -5.2795 3  182.9530536  59516140433 430 2    32 231 2      C-13-H3C(O)CH3
  858597.8688  0.0283 -5.2795 3  182.9530536  59516140433 330 2    32 131 2      C-13-H3C(O)CH3
  858599.6850  0.0298 -5.3259 3  182.9534536  59516140433 430 1    32 231 1      C-13-H3C(O)CH3
  858599.6850  0.0298 -5.3259 3  182.9534536  59516140433 330 1    32 131 1      C-13-H3C(O)CH3
  858600.0512  0.0499 -4.6592 3 1076.0992532  595161404662640 3    652739 3      C-13-H3C(O)CH3
  858600.0512  0.0499 -4.6593 3 1076.0992532  595161404662740 3    652639 3      C-13-H3C(O)CH3
  858600.1048  0.0499 -4.6874 3 1076.0992532  595161404662640 4    652639 4      C-13-H3C(O)CH3
  858600.1048  0.0499 -4.6856 3 1076.0992532  595161404662740 4    652739 4      C-13-H3C(O)CH3
  858600.1048  0.0499 -5.8857 3 1076.0992532  595161404662640 4    652739 4      C-13-H3C(O)CH3
  858600.1048  0.0499 -5.8589 3 1076.0992532  595161404662740 4    652639 4      C-13-H3C(O)CH3
  858613.8698  0.0271 -5.7408 3  298.8619268  5951614043325 8 4    322211 4      C-13-H3C(O)CH3
  858630.5116  0.4549 -4.8698 3 1009.2412984  595161404613625 0    603724 0      C-13-H3C(O)CH3
  858641.9920  0.0351 -4.3530 3  978.5544984  595161404613130 0    603229 0      C-13-H3C(O)CH3
  858642.4315  0.1162 -4.1503 3  731.2728840  595161404523221 2    513120 2      C-13-H3C(O)CH3
  858652.0767  0.0113 -4.1085 3  631.7849388  595161404483217 4    473117 4      C-13-H3C(O)CH3
  858668.7453  0.0350 -4.3530 3  978.5537984  595161404613230 0    603129 0      C-13-H3C(O)CH3
  858676.1566  0.0075 -4.0080 3  412.5107648  595161404402119 0    392020 0      C-13-H3C(O)CH3
  858682.6575  0.0103 -4.0078 3  412.4824648  595161404402119 2    392020 2      C-13-H3C(O)CH3
  858686.6836  0.0356 -4.3532 3  978.5639984  595161404613130 1    603229 1      C-13-H3C(O)CH3
  858692.4763  0.0384 -4.3531 3  978.5652984  595161404613130 2    603229 2      C-13-H3C(O)CH3
  858695.0409  0.0298 -5.8593 3  298.8607268  5951614043325 8 3    322211 3      C-13-H3C(O)CH3
  858714.6239  0.0180 -5.4977 3  298.8814536  5951614043325 8 1    322211 1      C-13-H3C(O)CH3
  858715.9847  0.0354 -4.3531 3  978.5631984  595161404613230 1    603129 1      C-13-H3C(O)CH3
  858721.0710  0.0378 -4.3531 3  978.5644984  595161404613230 2    603129 2      C-13-H3C(O)CH3
  858728.1217  0.0079 -4.0077 3  412.4861648  595161404402119 1    392020 1      C-13-H3C(O)CH3
  858734.6443  0.0113 -4.3085 3  412.4577324  595161404402119 3    392020 3      C-13-H3C(O)CH3
  858735.3863  0.0112 -4.3085 3  412.4577324  595161404402119 4    392020 4      C-13-H3C(O)CH3
  858737.1813  0.0385 -4.6543 3  978.5747492  595161404613130 3    603229 3      C-13-H3C(O)CH3
  858737.3142  0.0385 -4.6543 3  978.5747492  595161404613130 4    603229 4      C-13-H3C(O)CH3
  858768.4915  0.0378 -4.6543 3  978.5739492  595161404613230 3    603129 3      C-13-H3C(O)CH3
  858768.5432  0.0378 -4.6543 3  978.5739492  595161404613230 4    603129 4      C-13-H3C(O)CH3
  858824.3251  0.0184 -5.2395 3  298.8895536  5951614043325 9 2    322211 2      C-13-H3C(O)CH3
  858848.7314  0.0131 -4.8770 3  631.8093388  595161404483217 3    473117 3      C-13-H3C(O)CH3
  858868.5981  0.0220 -5.2746 3  298.8895536  5951614043325 8 2    322211 2      C-13-H3C(O)CH3
  858908.2671  0.0131 -4.9562 3  298.9094536  5951614043325 8 0    322211 0      C-13-H3C(O)CH3
  858932.3470  0.0096 -4.0187 3  441.1530664  595161404412418 0    402119 0      C-13-H3C(O)CH3
  859016.3028  0.0104 -4.0186 3  441.1250664  595161404412418 2    402119 2      C-13-H3C(O)CH3
  859017.1921  0.0096 -4.0184 3  441.1301664  595161404412418 1    402119 1      C-13-H3C(O)CH3
  859099.1037  0.0106 -4.3194 3  441.1020332  595161404412418 4    402119 4      C-13-H3C(O)CH3
  859103.2202  0.0106 -4.3194 3  441.1020332  595161404412418 3    402119 3      C-13-H3C(O)CH3
  859209.4649  0.3082 -4.7137 3  974.1650968  595161404603525 1    593624 1      C-13-H3C(O)CH3
  859227.3919  0.0986 -4.4505 3  731.2552420  595161404523221 4    513120 4      C-13-H3C(O)CH3
  859229.0123  0.0542 -5.0961 3 1093.6743A80  595161404672542 0    662541 0      C-13-H3C(O)CH3
  859229.0123  0.0542 -4.4553 3 1093.6743A80  595161404672642 0    662541 0      C-13-H3C(O)CH3
  859229.0123  0.0542 -5.0961 3 1093.6743A80  595161404672642 0    662641 0      C-13-H3C(O)CH3
  859229.0123  0.0542 -4.4553 3 1093.6743A80  595161404672542 0    662641 0      C-13-H3C(O)CH3
  859249.9238  0.0051 -3.4785 3  610.5615744 -595161404463610 0    453511 0      C-13-H3C(O)CH3
  859249.9238  0.0051 -3.4785 3  610.5615744 -595161404463611 0    453510 0      C-13-H3C(O)CH3
  859256.4754  0.0074 -4.0076 3  412.5099648  595161404402219 0    391920 0      C-13-H3C(O)CH3
  859256.7061  0.0548 -4.9495 3 1093.6892A80  595161404672642 1    662641 1      C-13-H3C(O)CH3
  859256.7061  0.0548 -4.4971 3 1093.6892A80  595161404672542 1    662641 1      C-13-H3C(O)CH3
  859256.7061  0.0548 -4.4971 3 1093.6892A80  595161404672642 1    662541 1      C-13-H3C(O)CH3
  859256.7061  0.0548 -4.9495 3 1093.6892A80  595161404672542 1    662541 1      C-13-H3C(O)CH3
  859258.7378  0.0562 -4.3739 3 1093.6902A80  595161404672542 2    662541 2      C-13-H3C(O)CH3
  859258.7378  0.0562 -4.3739 3 1093.6902A80  595161404672642 2    662641 2      C-13-H3C(O)CH3
  859284.8354  0.0095 -4.0074 3  412.4816648  595161404402219 2    391920 2      C-13-H3C(O)CH3
  859286.4682  0.0517 -5.5069 3 1093.7051540  595161404672542 3    662541 3      C-13-H3C(O)CH3
  859286.4682  0.0517 -5.5069 3 1093.7051540  595161404672642 3    662641 3      C-13-H3C(O)CH3
  859286.4682  0.0517 -4.7347 3 1093.7051540  595161404672642 3    662541 3      C-13-H3C(O)CH3
  859286.4682  0.0517 -4.7347 3 1093.7051540  595161404672542 3    662641 3      C-13-H3C(O)CH3
  859286.5211  0.0518 -5.0392 3 1093.7051540  595161404672642 4    662641 4      C-13-H3C(O)CH3
  859286.5211  0.0518 -4.9067 3 1093.7051540  595161404672642 4    662541 4      C-13-H3C(O)CH3
  859286.5211  0.0518 -4.9067 3 1093.7051540  595161404672542 4    662641 4      C-13-H3C(O)CH3
  859286.5211  0.0518 -5.0392 3 1093.7051540  595161404672542 4    662541 4      C-13-H3C(O)CH3
  859290.1602  0.0399 -4.4025 3 1257.7847D36  59516140483 876 0    82 775 0      C-13-H3C(O)CH3
  859290.1602  0.0399 -4.4025 3 1257.7847D36  59516140483 776 0    82 875 0      C-13-H3C(O)CH3
  859293.2511  0.0080 -3.7365 3  631.7964776  595161404483216 0    473117 0      C-13-H3C(O)CH3
  859297.8966  0.0057 -3.4787 3  610.5868744 -595161404463610 2    453510 2      C-13-H3C(O)CH3
  859300.2435  0.4405 -4.7134 3  974.1652968  595161404603525 2    593624 2      C-13-H3C(O)CH3
  859303.5959  0.0645 -5.1936 3 1257.7559D36  59516140483 776 1    82 875 1      C-13-H3C(O)CH3
  859303.5959  0.0645 -4.4753 3 1257.7559D36  59516140483 776 1    82 775 1      C-13-H3C(O)CH3
  859303.5959  0.0645 -4.4753 3 1257.7559D36  59516140483 876 1    82 875 1      C-13-H3C(O)CH3
  859303.5959  0.0645 -5.1936 3 1257.7559D36  59516140483 876 1    82 775 1      C-13-H3C(O)CH3
  859303.6016  0.0622 -4.4047 3 1257.7558D36  59516140483 876 2    82 875 2      C-13-H3C(O)CH3
  859303.6016  0.0622 -4.4047 3 1257.7558D36  59516140483 776 2    82 775 2      C-13-H3C(O)CH3
  859310.1033  0.1114 -4.4489 3  731.2541420  595161404523221 3    513120 3      C-13-H3C(O)CH3
  859315.2369  0.0078 -4.0073 3  412.4852648  595161404402219 1    391920 1      C-13-H3C(O)CH3
  859317.0450  0.0363 -5.2523 3 1257.7270668  59516140483 776 4    82 875 4      C-13-H3C(O)CH3
  859317.0450  0.0363 -4.8432 3 1257.7270668  59516140483 776 4    82 775 4      C-13-H3C(O)CH3
  859317.0450  0.0363 -5.2523 3 1257.7270668  59516140483 876 4    82 775 4      C-13-H3C(O)CH3
  859317.0450  0.0363 -4.8432 3 1257.7270668  59516140483 876 4    82 875 4      C-13-H3C(O)CH3
  859317.0485  0.0363 -4.7009 3 1257.7271668  59516140483 776 3    82 875 3      C-13-H3C(O)CH3
  859317.0485  0.0363 -4.7009 3 1257.7271668  59516140483 876 3    82 775 3      C-13-H3C(O)CH3
  859343.7016  0.0103 -4.3081 3  412.4568324  595161404402219 4    391920 4      C-13-H3C(O)CH3
  859344.0277  0.0102 -4.3081 3  412.4569324  595161404402219 3    391920 3      C-13-H3C(O)CH3
  859353.2125  0.0058 -3.4785 3  610.5772744  595161404463610 1    453510 1      C-13-H3C(O)CH3
  859371.2960  0.0057 -3.4785 3  610.5660744 -595161404463611 2    453511 2      C-13-H3C(O)CH3
  859378.1470  0.0059 -3.4785 3  610.5482744 -595161404463611 1    453511 1      C-13-H3C(O)CH3
  859393.6535  0.0271 -5.3410 3  182.9006536  59516140433 330 0    32 231 0      C-13-H3C(O)CH3
  859393.6535  0.0271 -5.3410 3  182.9006536  59516140433 430 0    32 131 0      C-13-H3C(O)CH3
  859401.0170  0.0082 -3.7797 3  610.6025372  595161404463610 4    453510 4      C-13-H3C(O)CH3
  859426.5575  0.0077 -3.7797 3  610.5735372  595161404463611 3    453511 3      C-13-H3C(O)CH3
  859474.7610  0.0075 -3.7795 3  610.5817372  595161404463610 3    453510 3      C-13-H3C(O)CH3
  859500.1140  0.0079 -3.7795 3  610.5526372  595161404463611 4    453511 4      C-13-H3C(O)CH3
  859519.5181  0.0994 -4.7337 3  934.2481476  595161404593326 3    583425 3      C-13-H3C(O)CH3
  859525.3732  0.0490 -4.4121 3 1209.9306C24  595161404761661 0    751660 0      C-13-H3C(O)CH3
  859525.3732  0.0490 -4.4121 3 1209.9306C24  595161404761561 0    751560 0      C-13-H3C(O)CH3
  859525.7890  0.0965 -4.7337 3  934.2479476  595161404593326 4    583425 4      C-13-H3C(O)CH3
  859561.3784  0.0490 -4.4141 3 1209.9346C24  595161404761661 1    751560 1      C-13-H3C(O)CH3
  859561.3784  0.0490 -5.3401 3 1209.9346C24  595161404761561 1    751560 1      C-13-H3C(O)CH3
  859561.3784  0.0490 -4.4638 3 1209.9346C24  595161404761561 1    751660 1      C-13-H3C(O)CH3
  859561.8350  0.0495 -4.5185 3 1209.9346C24  595161404761561 2    751660 2      C-13-H3C(O)CH3
  859561.8350  0.0495 -5.0634 3 1209.9346C24  595161404761661 2    751660 2      C-13-H3C(O)CH3
  859561.8350  0.0495 -4.5185 3 1209.9346C24  595161404761661 2    751560 2      C-13-H3C(O)CH3
  859561.8350  0.0495 -5.0634 3 1209.9346C24  595161404761561 2    751560 2      C-13-H3C(O)CH3
  859597.8747  0.0498 -6.0014 3 1209.9385612  595161404761661 3    751660 3      C-13-H3C(O)CH3
  859597.8747  0.0498 -6.0014 3 1209.9385612  595161404761561 3    751560 3      C-13-H3C(O)CH3
  859597.8747  0.0498 -4.7334 3 1209.9385612  595161404761561 3    751660 3      C-13-H3C(O)CH3
  859597.8747  0.0498 -4.7334 3 1209.9385612  595161404761661 3    751560 3      C-13-H3C(O)CH3
  859597.9330  0.0498 -4.9634 3 1209.9385612  595161404761661 4    751660 4      C-13-H3C(O)CH3
  859597.9330  0.0498 -4.9634 3 1209.9385612  595161404761561 4    751560 4      C-13-H3C(O)CH3
  859597.9330  0.0498 -5.0659 3 1209.9385612  595161404761561 4    751660 4      C-13-H3C(O)CH3
  859597.9330  0.0498 -5.0659 3 1209.9385612  595161404761661 4    751560 4      C-13-H3C(O)CH3
  859619.9985  0.0814 -4.4317 3  934.2421952  595161404593326 1    583425 1      C-13-H3C(O)CH3
  859652.4886  0.1100 -4.4316 3  934.2425952  595161404593326 2    583425 2      C-13-H3C(O)CH3
  859683.4450  0.0385 -4.1040 3  631.8093388  595161404483216 3    473117 3      C-13-H3C(O)CH3
  859744.5352  0.0058 -3.5815 3  619.9742760 -595161404473414 0    463313 0      C-13-H3C(O)CH3
  859745.1586  0.0861 -4.4306 3  934.2367952  595161404593326 0    583425 0      C-13-H3C(O)CH3
  859752.2498  0.0058 -3.5815 3  619.9740760  595161404473413 0    463314 0      C-13-H3C(O)CH3
  859824.2389  0.0060 -3.5817 3  620.0117760 -595161404473413 2    463313 2      C-13-H3C(O)CH3
  859853.3325  0.0062 -3.5816 3  619.9947760 -595161404473413 1    463313 1      C-13-H3C(O)CH3
  859883.4336  0.0069 -3.5814 3  619.9654760 -595161404473414 1    463314 1      C-13-H3C(O)CH3
  859894.0667  0.0431 -4.0425 3  631.7942776  595161404483216 1    473117 1      C-13-H3C(O)CH3
  859916.4596  0.0065 -3.5813 3  619.9774760 -595161404473414 2    463314 2      C-13-H3C(O)CH3
  859929.6822  0.0080 -3.8828 3  620.0323380  595161404473413 4    463313 4      C-13-H3C(O)CH3
  859959.9759  0.0085 -3.8830 3  620.0030380  595161404473413 3    463313 3      C-13-H3C(O)CH3
  860010.2464  0.0568 -4.3943 3 1110.6930A96  595161404682544 0    672443 0      C-13-H3C(O)CH3
  860010.2464  0.0568 -5.7249 3 1110.6930A96  595161404682444 0    672443 0      C-13-H3C(O)CH3
  860010.2464  0.0568 -5.7249 3 1110.6930A96  595161404682544 0    672543 0      C-13-H3C(O)CH3
  860010.2464  0.0568 -4.3943 3 1110.6930A96  595161404682444 0    672543 0      C-13-H3C(O)CH3
  860022.0173  0.0083 -3.8827 3  619.9979380  595161404473414 3    463314 3      C-13-H3C(O)CH3
  860029.3541  0.3350 -4.7102 3  974.1523968  595161404603525 0    593624 0      C-13-H3C(O)CH3
  860037.8698  0.0574 -4.3898 3 1110.7079A96  595161404682544 1    672443 1      C-13-H3C(O)CH3
  860037.8698  0.0574 -4.3898 3 1110.7079A96  595161404682444 1    672543 1      C-13-H3C(O)CH3
  860037.8698  0.0574 -5.8357 3 1110.7079A96  595161404682544 1    672543 1      C-13-H3C(O)CH3
  860037.8698  0.0574 -5.8357 3 1110.7079A96  595161404682444 1    672443 1      C-13-H3C(O)CH3
  860039.8192  0.0586 -5.4721 3 1110.7089A96  595161404682444 2    672443 2      C-13-H3C(O)CH3
  860039.8192  0.0586 -5.4721 3 1110.7089A96  595161404682544 2    672543 2      C-13-H3C(O)CH3
  860039.8192  0.0586 -4.4106 3 1110.7089A96  595161404682544 2    672443 2      C-13-H3C(O)CH3
  860039.8192  0.0586 -4.4106 3 1110.7089A96  595161404682444 2    672543 2      C-13-H3C(O)CH3
  860051.9818  0.0092 -3.8822 3  619.9686380  595161404473414 4    463314 4      C-13-H3C(O)CH3
  860067.4785  0.0533 -4.8042 3 1110.7237548  595161404682544 3    672543 3      C-13-H3C(O)CH3
  860067.4785  0.0533 -4.8042 3 1110.7237548  595161404682444 3    672443 3      C-13-H3C(O)CH3
  860067.4785  0.0533 -5.2665 3 1110.7237548  595161404682444 3    672543 3      C-13-H3C(O)CH3
  860067.4785  0.0533 -5.2665 3 1110.7237548  595161404682544 3    672443 3      C-13-H3C(O)CH3
  860067.5312  0.0534 -4.7336 3 1110.7238548  595161404682544 4    672443 4      C-13-H3C(O)CH3
  860067.5312  0.0534 -5.5779 3 1110.7238548  595161404682444 4    672443 4      C-13-H3C(O)CH3
  860067.5312  0.0534 -5.5779 3 1110.7238548  595161404682544 4    672543 4      C-13-H3C(O)CH3
  860067.5312  0.0534 -4.7336 3 1110.7238548  595161404682444 4    672543 4      C-13-H3C(O)CH3
  860104.8246  0.0072 -4.4290 3  320.4885300  595161404371423 4    361324 4      C-13-H3C(O)CH3
  860104.8254  0.0072 -4.4290 3  320.4885300  595161404371523 4    361224 4      C-13-H3C(O)CH3
  860105.1941  0.0069 -4.4290 3  320.4885300  595161404371423 3    361324 3      C-13-H3C(O)CH3
  860105.1949  0.0069 -4.4290 3  320.4885300  595161404371523 3    361224 3      C-13-H3C(O)CH3
  860177.1446  0.0066 -4.1281 3  320.5120600  595161404371423 2    361324 2      C-13-H3C(O)CH3
  860177.1454  0.0066 -4.1281 3  320.5120600  595161404371523 2    361224 2      C-13-H3C(O)CH3
  860188.8614  0.0067 -4.1281 3  320.5136600  595161404371423 1    361324 1      C-13-H3C(O)CH3
  860188.8622  0.0067 -4.1281 3  320.5136600  595161404371523 1    361224 1      C-13-H3C(O)CH3
  860247.8513  0.0679 -4.2022 3  631.7961776  595161404483216 2    473117 2      C-13-H3C(O)CH3
  860260.7174  0.0059 -4.1281 3  320.5371600  595161404371423 0    361324 0      C-13-H3C(O)CH3
  860260.7181  0.0059 -4.1281 3  320.5371600  595161404371523 0    361224 0      C-13-H3C(O)CH3
  860312.6337  0.0116 -3.2757 3  601.9158696 -5951614044343 0 0    4242 0 0      C-13-H3C(O)CH3
  860312.6337  0.0116 -3.2757 3  601.9158696 -5951614044343 1 0    4242 1 0      C-13-H3C(O)CH3
  860435.2436  0.0337 -4.3733 3  956.8529968  595161404603228 0    593327 0      C-13-H3C(O)CH3
  860467.1145  0.0125 -3.2757 3  601.9747696 -5951614044343 0 1    4242 0 1      C-13-H3C(O)CH3
  860475.3623  0.0346 -4.3736 3  956.8598968  595161404603228 1    593327 1      C-13-H3C(O)CH3
  860487.5859  0.0395 -4.3735 3  956.8609968  595161404603228 2    593327 2      C-13-H3C(O)CH3
  860506.2784  0.0384 -4.5742 3 1264.9089D52  59516140484 678 0    83 677 0      C-13-H3C(O)CH3
  860506.2784  0.0384 -4.8815 3 1264.9089D52  59516140484 678 0    83 777 0      C-13-H3C(O)CH3
  860506.2784  0.0384 -4.5742 3 1264.9089D52  59516140484 778 0    83 777 0      C-13-H3C(O)CH3
  860506.2784  0.0384 -4.8815 3 1264.9089D52  59516140484 778 0    83 677 0      C-13-H3C(O)CH3
  860511.7482  0.0613 -4.4354 3 1264.8769D52  59516140484 778 1    83 677 1      C-13-H3C(O)CH3
  860511.7482  0.0613 -5.5074 3 1264.8769D52  59516140484 778 1    83 777 1      C-13-H3C(O)CH3
  860511.7482  0.0613 -5.5074 3 1264.8769D52  59516140484 678 1    83 677 1      C-13-H3C(O)CH3
  860511.7482  0.0613 -4.4354 3 1264.8769D52  59516140484 678 1    83 777 1      C-13-H3C(O)CH3
  860511.8469  0.0596 -4.4259 3 1264.8768D52  59516140484 778 2    83 677 2      C-13-H3C(O)CH3
  860511.8469  0.0596 -5.6385 3 1264.8768D52  59516140484 678 2    83 677 2      C-13-H3C(O)CH3
  860511.8469  0.0596 -4.4259 3 1264.8768D52  59516140484 678 2    83 777 2      C-13-H3C(O)CH3
  860511.8469  0.0596 -5.6385 3 1264.8768D52  59516140484 778 2    83 777 2      C-13-H3C(O)CH3
  860517.3068  0.0335 -4.7012 3 1264.8448676  59516140484 778 4    83 677 4      C-13-H3C(O)CH3
  860517.3068  0.0335 -4.7012 3 1264.8448676  59516140484 678 4    83 777 4      C-13-H3C(O)CH3
  860517.3245  0.0147 -3.2756 3  601.9448696 -5951614044343 0 2    4242 0 2      C-13-H3C(O)CH3
  860517.3245  0.0134 -3.2755 3  601.8722696 -5951614044343 1 2    4242 1 2      C-13-H3C(O)CH3
  860517.3269  0.0334 -4.9112 3 1264.8448676  59516140484 678 3    83 777 3      C-13-H3C(O)CH3
  860517.3269  0.0334 -5.1172 3 1264.8448676  59516140484 778 3    83 777 3      C-13-H3C(O)CH3
  860517.3269  0.0334 -5.1172 3 1264.8448676  59516140484 678 3    83 677 3      C-13-H3C(O)CH3
  860517.3269  0.0334 -4.9112 3 1264.8448676  59516140484 778 3    83 677 3      C-13-H3C(O)CH3
  860526.8377  0.0401 -4.6749 3  956.8678484  595161404603228 3    593327 3      C-13-H3C(O)CH3
  860527.5546  0.0398 -4.6749 3  956.8678484  595161404603228 4    593327 4      C-13-H3C(O)CH3
  860587.3801  0.0124 -3.2754 3  601.9021696 -5951614044343 1 1    4242 1 1      C-13-H3C(O)CH3
  860636.2683  0.0458 -4.5077 3 1221.3710C40  595161404771463 0    761462 0      C-13-H3C(O)CH3
  860636.2683  0.0458 -5.1369 3 1221.3710C40  595161404771463 0    761562 0      C-13-H3C(O)CH3
  860636.2683  0.0458 -5.1369 3 1221.3710C40  595161404771563 0    761462 0      C-13-H3C(O)CH3
  860636.2683  0.0458 -4.5077 3 1221.3710C40  595161404771563 0    761562 0      C-13-H3C(O)CH3
  860672.2057  0.0202 -3.5766 3  602.0038348  5951614044343 0 4    4242 0 4      C-13-H3C(O)CH3
  860672.3304  0.0195 -3.5765 3  601.9310348  5951614044343 1 3    4242 1 3      C-13-H3C(O)CH3
  860672.4839  0.0471 -5.5173 3 1221.3722C40  595161404771463 1    761562 1      C-13-H3C(O)CH3
  860672.4839  0.0471 -4.4519 3 1221.3722C40  595161404771563 1    761562 1      C-13-H3C(O)CH3
  860672.4839  0.0471 -5.0197 3 1221.3722C40  595161404771463 1    761462 1      C-13-H3C(O)CH3
  860672.4839  0.0471 -4.5405 3 1221.3722C40  595161404771563 1    761462 1      C-13-H3C(O)CH3
  860672.7421  0.0471 -4.7675 3 1221.3721C40  595161404771463 2    761562 2      C-13-H3C(O)CH3
  860672.7421  0.0471 -4.7675 3 1221.3721C40  595161404771563 2    761462 2      C-13-H3C(O)CH3
  860672.7421  0.0471 -4.6719 3 1221.3721C40  595161404771563 2    761562 2      C-13-H3C(O)CH3
  860672.7421  0.0471 -4.6719 3 1221.3721C40  595161404771463 2    761462 2      C-13-H3C(O)CH3
  860708.9906  0.0484 -4.7264 3 1221.3733620  595161404771563 3    761562 3      C-13-H3C(O)CH3
  860708.9906  0.0484 -4.7264 3 1221.3733620  595161404771463 3    761462 3      C-13-H3C(O)CH3
  860709.0474  0.0485 -5.0794 3 1221.3733620  595161404771563 4    761462 4      C-13-H3C(O)CH3
  860709.0474  0.0485 -4.9645 3 1221.3733620  595161404771563 4    761562 4      C-13-H3C(O)CH3
  860709.0474  0.0485 -4.9645 3 1221.3733620  595161404771463 4    761462 4      C-13-H3C(O)CH3
  860709.0474  0.0485 -5.0794 3 1221.3733620  595161404771463 4    761562 4      C-13-H3C(O)CH3
  860791.8391  0.0206 -3.5763 3  601.9311348  5951614044343 0 3    4242 0 3      C-13-H3C(O)CH3
  860791.8410  0.0204 -3.5762 3  601.8586348  5951614044343 1 4    4242 1 4      C-13-H3C(O)CH3
  860862.5620  0.0590 -5.4845 3 1127.1350B12  595161404692446 0    682345 0      C-13-H3C(O)CH3
  860862.5620  0.0590 -5.4845 3 1127.1350B12  595161404692346 0    682445 0      C-13-H3C(O)CH3
  860862.5620  0.0590 -4.4193 3 1127.1350B12  595161404692346 0    682345 0      C-13-H3C(O)CH3
  860862.5620  0.0590 -4.4193 3 1127.1350B12  595161404692446 0    682445 0      C-13-H3C(O)CH3
  860863.0188  0.0700 -4.3369 3  567.7889372  595161404462818 3    452719 3      C-13-H3C(O)CH3
  860890.4655  0.0596 -5.2327 3 1127.1497B12  595161404692346 1    682445 1      C-13-H3C(O)CH3
  860890.4655  0.0596 -4.4498 3 1127.1497B12  595161404692346 1    682345 1      C-13-H3C(O)CH3
  860890.4655  0.0596 -4.4498 3 1127.1497B12  595161404692446 1    682445 1      C-13-H3C(O)CH3
  860890.4655  0.0596 -5.2327 3 1127.1497B12  595161404692446 1    682345 1      C-13-H3C(O)CH3
  860892.3340  0.0606 -5.4246 3 1127.1506B12  595161404692346 2    682345 2      C-13-H3C(O)CH3
  860892.3340  0.0606 -4.4249 3 1127.1506B12  595161404692346 2    682445 2      C-13-H3C(O)CH3
  860892.3340  0.0606 -4.3958 3 1127.1506B12  595161404692446 2    682345 2      C-13-H3C(O)CH3
  860892.3340  0.0606 -5.9379 3 1127.1506B12  595161404692446 2    682445 2      C-13-H3C(O)CH3
  860899.8260  0.0662 -4.3374 3  567.7885372  595161404462818 4    452719 4      C-13-H3C(O)CH3
  860920.2731  0.0547 -4.8593 3 1127.1653556  595161404692346 3    682345 3      C-13-H3C(O)CH3
  860920.2731  0.0547 -5.1644 3 1127.1653556  595161404692446 3    682345 3      C-13-H3C(O)CH3
  860920.2731  0.0547 -4.8593 3 1127.1653556  595161404692446 3    682445 3      C-13-H3C(O)CH3
  860920.2731  0.0547 -5.1644 3 1127.1653556  595161404692346 3    682445 3      C-13-H3C(O)CH3
  860920.3261  0.0547 -4.6955 3 1127.1654556  595161404692346 4    682345 4      C-13-H3C(O)CH3
  860920.3261  0.0547 -4.6955 3 1127.1654556  595161404692446 4    682445 4      C-13-H3C(O)CH3
  861077.9467  0.0666 -4.0377 3  567.8025744  595161404462818 2    452719 2      C-13-H3C(O)CH3
  861141.7264  0.0337 -4.3724 3  956.8351968  595161404603328 0    593227 0      C-13-H3C(O)CH3
  861225.1580  0.0325 -4.3727 3  956.8409968  595161404603328 1    593227 1      C-13-H3C(O)CH3
  861230.0300  0.0322 -4.3726 3  956.8421968  595161404603328 2    593227 2      C-13-H3C(O)CH3
  861234.8644  0.0110 -4.6499 3  345.3570584  595161404362412 1    352115 1      C-13-H3C(O)CH3
  861266.8652  0.0107 -4.6505 3  345.3778584  595161404362412 0    352115 0      C-13-H3C(O)CH3
  861314.3276  0.0304 -4.6739 3  956.8479484  595161404603328 4    593227 4      C-13-H3C(O)CH3
  861314.7382  0.0303 -4.6739 3  956.8479484  595161404603328 3    593227 3      C-13-H3C(O)CH3
  861323.5718  0.0335 -4.0389 3  567.8062744  595161404462818 1    452719 1      C-13-H3C(O)CH3
  861343.1037  0.0983 -4.8515 3  631.7849388  595161404483216 4    473117 4      C-13-H3C(O)CH3
  861496.1693  0.0663 -4.3655 3  541.3464364  595161404452718 3    442619 3      C-13-H3C(O)CH3
  861507.7125  0.0133 -4.9579 3  345.3309292  595161404362412 3    352115 3      C-13-H3C(O)CH3
  861517.2533  0.0647 -4.3656 3  541.3461364  595161404452718 4    442619 4      C-13-H3C(O)CH3
  861525.0765  0.0355 -4.0405 3  567.8201744 -595161404462818 0    452719 0      C-13-H3C(O)CH3
  861543.4519  0.0163 -4.9643 3  345.3308292  595161404362412 4    352115 4      C-13-H3C(O)CH3
  861543.7638  0.0441 -4.3625 3  490.1377348  595161404432518 3    422419 3      C-13-H3C(O)CH3
  861554.9048  0.0444 -4.3626 3  490.1377348  595161404432518 4    422419 4      C-13-H3C(O)CH3
  861563.3713  0.0137 -4.6612 3  345.3516584  595161404362412 2    352115 2      C-13-H3C(O)CH3
  861634.2770  0.0428 -4.0620 3  490.1577696  595161404432518 2    422419 2      C-13-H3C(O)CH3
  861698.5849  0.0641 -4.0657 3  541.3625728  595161404452718 2    442619 2      C-13-H3C(O)CH3
  861728.4831  0.0293 -4.7011 3 1271.4338684  59516140485 680 4    84 679 4      C-13-H3C(O)CH3
  861728.4831  0.0293 -4.7011 3 1271.4338684  59516140485 580 4    84 579 4      C-13-H3C(O)CH3
  861728.5177  0.0293 -5.3293 3 1271.4338684  59516140485 680 3    84 579 3      C-13-H3C(O)CH3
  861728.5177  0.0293 -4.8177 3 1271.4338684  59516140485 680 3    84 679 3      C-13-H3C(O)CH3
  861728.5177  0.0293 -4.8177 3 1271.4338684  59516140485 580 3    84 579 3      C-13-H3C(O)CH3
  861728.5177  0.0293 -5.3293 3 1271.4338684  59516140485 580 3    84 679 3      C-13-H3C(O)CH3
  861731.6740  0.0528 -4.4009 3 1271.4673D68  59516140485 580 1    84 579 1      C-13-H3C(O)CH3
  861731.6740  0.0528 -4.4009 3 1271.4673D68  59516140485 680 1    84 679 1      C-13-H3C(O)CH3
  861731.8281  0.0519 -4.4110 3 1271.4672D68  59516140485 680 2    84 679 2      C-13-H3C(O)CH3
  861731.8281  0.0519 -4.4110 3 1271.4672D68  59516140485 580 2    84 579 2      C-13-H3C(O)CH3
  861731.8281  0.0519 -6.0089 3 1271.4672D68  59516140485 580 2    84 679 2      C-13-H3C(O)CH3
  861731.8281  0.0519 -6.0089 3 1271.4672D68  59516140485 680 2    84 579 2      C-13-H3C(O)CH3
  861734.9941  0.0341 -4.7867 3 1271.5007D68  59516140485 680 0    84 679 0      C-13-H3C(O)CH3
  861734.9941  0.0341 -4.6287 3 1271.5007D68  59516140485 580 0    84 679 0      C-13-H3C(O)CH3
  861734.9941  0.0341 -4.7884 3 1271.5007D68  59516140485 580 0    84 579 0      C-13-H3C(O)CH3
  861734.9941  0.0341 -4.6299 3 1271.5007D68  59516140485 680 0    84 579 0      C-13-H3C(O)CH3
  861761.9842  0.0428 -4.4322 3 1232.2727C56  595161404781365 0    771464 0      C-13-H3C(O)CH3
  861761.9842  0.0428 -6.0585 3 1232.2727C56  595161404781365 0    771364 0      C-13-H3C(O)CH3
  861761.9842  0.0428 -4.4322 3 1232.2727C56  595161404781465 0    771364 0      C-13-H3C(O)CH3
  861761.9842  0.0428 -6.0585 3 1232.2727C56  595161404781465 0    771464 0      C-13-H3C(O)CH3
  861770.0873  0.0607 -4.6389 3 1143.0081B28  595161404702348 0    692347 0      C-13-H3C(O)CH3
  861770.0873  0.0607 -4.6389 3 1143.0081B28  595161404702248 0    692247 0      C-13-H3C(O)CH3
  861770.0873  0.0607 -4.7566 3 1143.0081B28  595161404702348 0    692247 0      C-13-H3C(O)CH3
  861770.0873  0.0607 -4.7566 3 1143.0081B28  595161404702248 0    692347 0      C-13-H3C(O)CH3
  861797.9117  0.0467 -4.4723 3 1232.2707C56  595161404781465 1    771464 1      C-13-H3C(O)CH3
  861797.9117  0.0467 -5.3830 3 1232.2707C56  595161404781465 1    771364 1      C-13-H3C(O)CH3
  861797.9117  0.0467 -5.3830 3 1232.2707C56  595161404781365 1    771464 1      C-13-H3C(O)CH3
  861797.9117  0.0467 -4.4723 3 1232.2707C56  595161404781365 1    771364 1      C-13-H3C(O)CH3
  861797.9946  0.0458 -5.0205 3 1232.2706C56  595161404781465 2    771364 2      C-13-H3C(O)CH3
  861797.9946  0.0458 -4.5482 3 1232.2706C56  595161404781365 2    771364 2      C-13-H3C(O)CH3
  861797.9946  0.0458 -4.5482 3 1232.2706C56  595161404781465 2    771464 2      C-13-H3C(O)CH3
  861797.9946  0.0458 -5.0205 3 1232.2706C56  595161404781365 2    771464 2      C-13-H3C(O)CH3
  861798.5582  0.0612 -4.9427 3 1143.0225B28  595161404702348 1    692247 1      C-13-H3C(O)CH3
  861798.5582  0.0612 -4.5366 3 1143.0225B28  595161404702348 1    692347 1      C-13-H3C(O)CH3
  861798.5582  0.0612 -4.9427 3 1143.0225B28  595161404702248 1    692347 1      C-13-H3C(O)CH3
  861798.5582  0.0612 -4.5366 3 1143.0225B28  595161404702248 1    692247 1      C-13-H3C(O)CH3
  861800.3339  0.0622 -4.4518 3 1143.0233B28  595161404702348 2    692247 2      C-13-H3C(O)CH3
  861800.3339  0.0622 -4.4518 3 1143.0233B28  595161404702248 2    692347 2      C-13-H3C(O)CH3
  861800.3339  0.0622 -5.2887 3 1143.0233B28  595161404702248 2    692247 2      C-13-H3C(O)CH3
  861800.3339  0.0622 -5.2887 3 1143.0233B28  595161404702348 2    692347 2      C-13-H3C(O)CH3
  861828.8403  0.0557 -5.9767 3 1143.0377564  595161404702248 3    692247 3      C-13-H3C(O)CH3
  861828.8403  0.0557 -4.7171 3 1143.0377564  595161404702248 3    692347 3      C-13-H3C(O)CH3
  861828.8403  0.0557 -5.9767 3 1143.0377564  595161404702348 3    692347 3      C-13-H3C(O)CH3
  861828.8403  0.0557 -4.7171 3 1143.0377564  595161404702348 3    692247 3      C-13-H3C(O)CH3
  861828.8938  0.0557 -4.7667 3 1143.0377564  595161404702348 4    692247 4      C-13-H3C(O)CH3
  861828.8938  0.0557 -5.5047 3 1143.0377564  595161404702348 4    692347 4      C-13-H3C(O)CH3
  861828.8938  0.0557 -4.8971 3 1143.0377564  595161404702248 4    692347 4      C-13-H3C(O)CH3
  861828.8938  0.0557 -5.1212 3 1143.0377564  595161404702248 4    692247 4      C-13-H3C(O)CH3
  861833.9529  0.0470 -5.2433 3 1232.2686628  595161404781365 3    771464 3      C-13-H3C(O)CH3
  861833.9529  0.0470 -4.8791 3 1232.2686628  595161404781365 3    771364 3      C-13-H3C(O)CH3
  861833.9529  0.0470 -4.8791 3 1232.2686628  595161404781465 3    771464 3      C-13-H3C(O)CH3
  861833.9529  0.0470 -5.2433 3 1232.2686628  595161404781465 3    771364 3      C-13-H3C(O)CH3
  861834.0072  0.0470 -4.7562 3 1232.2686628  595161404781465 4    771464 4      C-13-H3C(O)CH3
  861834.0072  0.0470 -5.8560 3 1232.2686628  595161404781365 4    771464 4      C-13-H3C(O)CH3
  861834.0072  0.0470 -4.7562 3 1232.2686628  595161404781365 4    771364 4      C-13-H3C(O)CH3
  861834.0072  0.0470 -5.8560 3 1232.2686628  595161404781465 4    771364 4      C-13-H3C(O)CH3
  861896.5545  0.0212 -4.0621 3  490.1627696  595161404432518 1    422419 1      C-13-H3C(O)CH3
  861908.2169  0.0237 -4.2116 3  449.1393664  595161404412616 0    402317 0      C-13-H3C(O)CH3
  861964.1120  0.0257 -5.5305 3  315.0707276  595161404342510 3    332211 3      C-13-H3C(O)CH3
  861983.7338  0.0229 -4.0626 3  490.1827696  595161404432518 0    422419 0      C-13-H3C(O)CH3
  861988.6343  0.0307 -4.0667 3  541.3669728 -595161404452718 1    442619 1      C-13-H3C(O)CH3
  862046.7124  0.0232 -5.4311 3  315.0696276  595161404342510 4    332211 4      C-13-H3C(O)CH3
  862049.1994  0.0171 -5.0876 3  315.0906552  595161404342510 1    332211 1      C-13-H3C(O)CH3
  862095.6557  0.0225 -4.2119 3  449.1170664  595161404412616 1    402317 1      C-13-H3C(O)CH3
  862101.9875  0.0154 -5.2575 3  315.0906552  5951614043425 9 1    332211 1      C-13-H3C(O)CH3
  862184.3451  0.0337 -4.0678 3  541.3832728  595161404452718 0    442619 0      C-13-H3C(O)CH3
  862228.3276  0.0269 -5.5012 3  315.0696276  5951614043425 9 4    332211 4      C-13-H3C(O)CH3
  862246.2515  0.0227 -5.4075 3  315.0707276  5951614043425 9 3    332211 3      C-13-H3C(O)CH3
  862271.0323  0.0057 -3.3261 3  605.4308712 -5951614044441 3 0    4340 3 0      C-13-H3C(O)CH3
  862271.0323  0.0057 -3.3261 3  605.4308712 -5951614044441 4 0    4340 4 0      C-13-H3C(O)CH3
  862307.1449  0.0205 -5.1830 3  315.0927552  595161404342510 2    332211 2      C-13-H3C(O)CH3
  862343.0121  0.0147 -4.8132 3  331.9584568  595161404352511 1    342212 1      C-13-H3C(O)CH3
  862346.0553  0.0245 -5.3370 3  331.9353284  595161404352511 4    342212 4      C-13-H3C(O)CH3
  862369.0307  0.0133 -4.8653 3  315.1129552  595161404342510 0    332211 0      C-13-H3C(O)CH3
  862371.6481  0.0268 -5.3364 3  331.9358284  595161404352511 3    342212 3      C-13-H3C(O)CH3
  862381.6810  0.0564 -4.3733 3  515.4660356  595161404442618 3    432519 3      C-13-H3C(O)CH3
  862396.1283  0.0564 -4.3734 3  515.4658356  595161404442618 4    432519 4      C-13-H3C(O)CH3
  862398.8361  0.0061 -3.3260 3  605.3993712 -5951614044441 4 2    4340 4 2      C-13-H3C(O)CH3
  862403.1142  0.0066 -3.3260 3  605.4415712 -5951614044441 3 2    4340 3 2      C-13-H3C(O)CH3
  862422.1926  0.0062 -3.3260 3  605.4659712 -5951614044441 3 1    4340 3 1      C-13-H3C(O)CH3
  862425.6778  0.0159 -5.9188 3  331.9584568  595161404352510 1    342212 1      C-13-H3C(O)CH3
  862480.8556  0.0061 -3.3259 3  605.4072712 -5951614044441 4 1    4340 4 1      C-13-H3C(O)CH3
  862488.8686  0.0282 -4.2150 3  449.1033664  595161404412616 2    402317 2      C-13-H3C(O)CH3
  862537.2826  0.0551 -4.0731 3  515.4842712  595161404442618 2    432519 2      C-13-H3C(O)CH3
  862539.1831  0.0210 -5.1493 3  315.0927552  5951614043425 9 2    332211 2      C-13-H3C(O)CH3
  862544.1454  0.0650 -4.2953 3  594.8088380  595161404472918 3    462819 3      C-13-H3C(O)CH3
  862549.3176  0.0092 -3.6269 3  605.4343356  5951614044441 3 3    4340 3 3      C-13-H3C(O)CH3
  862554.0218  0.0100 -3.6269 3  605.4764356  5951614044441 3 4    4340 3 4      C-13-H3C(O)CH3
  862608.0865  0.0094 -3.6268 3  605.3758356  5951614044441 4 4    4340 4 4      C-13-H3C(O)CH3
  862612.2249  0.0094 -3.6268 3  605.4179356  5951614044441 4 3    4340 4 3      C-13-H3C(O)CH3
  862613.7426  0.0589 -4.2967 3  594.8079380  595161404472918 4    462819 4      C-13-H3C(O)CH3
  862619.5822  0.0141 -4.7822 3  331.9776568  595161404352511 0    342212 0      C-13-H3C(O)CH3
  862631.1334  0.0210 -5.0396 3  331.9550568  595161404352511 2    342212 2      C-13-H3C(O)CH3
  862637.3658  0.0257 -4.5170 3  449.0812332  595161404412616 4    402317 4      C-13-H3C(O)CH3
  862705.5545  0.0288 -4.5155 3  449.0810332  595161404412616 3    402317 3      C-13-H3C(O)CH3
  862721.4471  0.0617 -5.2259 3 1158.3186B44  595161404712250 0    702149 0      C-13-H3C(O)CH3
  862721.4471  0.0617 -4.4726 3 1158.3186B44  595161404712150 0    702149 0      C-13-H3C(O)CH3
  862721.4471  0.0617 -5.2259 3 1158.3186B44  595161404712150 0    702249 0      C-13-H3C(O)CH3
  862721.4471  0.0617 -4.4726 3 1158.3186B44  595161404712250 0    702249 0      C-13-H3C(O)CH3
  862732.1092  0.0605 -3.9966 3  594.8192760  595161404472918 2    462819 2      C-13-H3C(O)CH3
  862750.7170  0.0622 -4.6570 3 1158.3325B44  595161404712250 1    702249 1      C-13-H3C(O)CH3
  862750.7170  0.0622 -4.6570 3 1158.3325B44  595161404712150 1    702149 1      C-13-H3C(O)CH3
  862750.7170  0.0622 -4.7547 3 1158.3325B44  595161404712150 1    702249 1      C-13-H3C(O)CH3
  862750.7170  0.0622 -4.7547 3 1158.3325B44  595161404712250 1    702149 1      C-13-H3C(O)CH3
  862752.3792  0.0632 -5.8219 3 1158.3332B44  595161404712250 2    702149 2      C-13-H3C(O)CH3
  862752.3792  0.0632 -4.4189 3 1158.3332B44  595161404712250 2    702249 2      C-13-H3C(O)CH3
  862752.3792  0.0632 -4.4189 3 1158.3332B44  595161404712150 2    702149 2      C-13-H3C(O)CH3
  862752.3792  0.0632 -5.8219 3 1158.3332B44  595161404712150 2    702249 2      C-13-H3C(O)CH3
  862757.9767  0.0267 -5.4336 3  331.9358284  595161404352510 3    342212 3      C-13-H3C(O)CH3
  862781.6846  0.0564 -4.7046 3 1158.3471572  595161404712250 3    702149 3      C-13-H3C(O)CH3
  862781.6846  0.0564 -4.7046 3 1158.3471572  595161404712150 3    702249 3      C-13-H3C(O)CH3
  862781.7388  0.0564 -4.9200 3 1158.3471572  595161404712250 4    702249 4      C-13-H3C(O)CH3
  862781.7388  0.0564 -4.9200 3 1158.3471572  595161404712150 4    702149 4      C-13-H3C(O)CH3
  862781.7388  0.0564 -5.1087 3 1158.3471572  595161404712150 4    702249 4      C-13-H3C(O)CH3
  862781.7388  0.0564 -5.1087 3 1158.3471572  595161404712250 4    702149 4      C-13-H3C(O)CH3
  862817.3216  0.0298 -5.4326 3  331.9353284  595161404352510 4    342212 4      C-13-H3C(O)CH3
  862832.3026  0.0262 -4.0736 3  515.4890712 -595161404442618 1    432519 1      C-13-H3C(O)CH3
  862901.7990  0.0404 -4.4321 3 1242.6374C72  595161404791367 0    781366 0      C-13-H3C(O)CH3
  862901.7990  0.0404 -4.4317 3 1242.6374C72  595161404791267 0    781266 0      C-13-H3C(O)CH3
  862903.9152  0.0326 -3.9977 3  594.8219760  595161404472918 1    462819 1      C-13-H3C(O)CH3
  862936.7204  0.0464 -4.4847 3 1242.6316C72  595161404791267 2    781266 2      C-13-H3C(O)CH3
  862936.7204  0.0464 -5.3351 3 1242.6316C72  595161404791267 2    781366 2      C-13-H3C(O)CH3
  862936.7204  0.0464 -4.4847 3 1242.6316C72  595161404791367 2    781366 2      C-13-H3C(O)CH3
  862936.7204  0.0464 -5.3351 3 1242.6316C72  595161404791367 2    781266 2      C-13-H3C(O)CH3
  862936.7772  0.0483 -4.4320 3 1242.6318C72  595161404791267 1    781366 1      C-13-H3C(O)CH3
  862936.7772  0.0483 -4.4320 3 1242.6318C72  595161404791367 1    781266 1      C-13-H3C(O)CH3
  862951.2468  0.0239 -4.7041 3 1277.4959692  59516140486 482 4    85 481 4      C-13-H3C(O)CH3
  862951.2468  0.0239 -4.7041 3 1277.4959692  59516140486 582 4    85 581 4      C-13-H3C(O)CH3
  862951.2884  0.0239 -4.8108 3 1277.4959692  59516140486 582 3    85 581 3      C-13-H3C(O)CH3
  862951.2884  0.0239 -5.3493 3 1277.4959692  59516140486 582 3    85 481 3      C-13-H3C(O)CH3
  862951.2884  0.0239 -4.8108 3 1277.4959692  59516140486 482 3    85 481 3      C-13-H3C(O)CH3
  862951.2884  0.0239 -5.3493 3 1277.4959692  59516140486 482 3    85 581 3      C-13-H3C(O)CH3
  862962.5041  0.0392 -5.1584 3 1277.5277D84 -59516140486 482 1    85 481 1      C-13-H3C(O)CH3
  862962.5041  0.0392 -4.4826 3 1277.5277D84 -59516140486 582 1    85 481 1      C-13-H3C(O)CH3
  862963.2930  0.0392 -4.4826 3 1277.5277D84  59516140486 482 1    85 581 1      C-13-H3C(O)CH3
  862963.2930  0.0392 -5.1584 3 1277.5277D84  59516140486 582 1    85 581 1      C-13-H3C(O)CH3
  862963.4282  0.0394 -4.4005 3 1277.5274D84  59516140486 482 2    85 481 2      C-13-H3C(O)CH3
  862963.4282  0.0394 -4.4005 3 1277.5274D84  59516140486 582 2    85 581 2      C-13-H3C(O)CH3
  862971.7265  0.0456 -5.6426 3 1242.6259636  595161404791367 3    781266 3      C-13-H3C(O)CH3
  862971.7265  0.0456 -4.7848 3 1242.6259636  595161404791367 3    781366 3      C-13-H3C(O)CH3
  862971.7265  0.0456 -5.6426 3 1242.6259636  595161404791267 3    781366 3      C-13-H3C(O)CH3
  862971.7265  0.0456 -4.7848 3 1242.6259636  595161404791267 3    781266 3      C-13-H3C(O)CH3
  862971.7771  0.0456 -4.7747 3 1242.6259636  595161404791367 4    781366 4      C-13-H3C(O)CH3
  862971.7771  0.0456 -4.7747 3 1242.6259636  595161404791267 4    781266 4      C-13-H3C(O)CH3
  862971.7771  0.0456 -5.7232 3 1242.6259636  595161404791367 4    781266 4      C-13-H3C(O)CH3
  862971.7771  0.0456 -5.7232 3 1242.6259636  595161404791267 4    781366 4      C-13-H3C(O)CH3
  862975.4399  0.0268 -5.2341 3 1277.5591D84  59516140486 482 0    85 581 0      C-13-H3C(O)CH3
  862975.4399  0.0268 -5.2341 3 1277.5591D84  59516140486 582 0    85 481 0      C-13-H3C(O)CH3
  862975.4399  0.0268 -4.4682 3 1277.5591D84  59516140486 582 0    85 581 0      C-13-H3C(O)CH3
  862975.4399  0.0268 -4.4682 3 1277.5591D84  59516140486 482 0    85 481 0      C-13-H3C(O)CH3
  862983.5969  0.0291 -4.0744 3  515.5073712  595161404442618 0    432519 0      C-13-H3C(O)CH3
  863061.1548  0.0237 -5.1314 3  331.9550568  595161404352510 2    342212 2      C-13-H3C(O)CH3
  863062.7656  0.0337 -3.9994 3  594.8328760  595161404472918 0    462819 0      C-13-H3C(O)CH3
  863349.2329  0.0081 -4.5571 3  284.8778292  595161404361125 4    351026 4      C-13-H3C(O)CH3
  863349.2329  0.0081 -4.5571 3  284.8778292  595161404361225 4    35 926 4      C-13-H3C(O)CH3
  863349.7415  0.0073 -4.5579 3  284.8778292  595161404361125 3    351026 3      C-13-H3C(O)CH3
  863349.7415  0.0073 -4.5598 3  284.8778292  595161404361225 3    35 926 3      C-13-H3C(O)CH3
  863536.6843  0.0070 -4.2609 3  284.8936584  595161404361225 2    35 926 2      C-13-H3C(O)CH3
  863536.6843  0.0070 -4.2609 3  284.8936584  595161404361125 2    351026 2      C-13-H3C(O)CH3
  863545.4661  0.0072 -4.2719 3  284.8946584  595161404361125 1    35 926 1      C-13-H3C(O)CH3
  863545.4661  0.0072 -4.2719 3  284.8946584  595161404361225 1    351026 1      C-13-H3C(O)CH3
  863545.4661  0.0072 -5.6970 3  284.8946584  595161404361225 1    35 926 1      C-13-H3C(O)CH3
  863545.4661  0.0072 -5.6967 3  284.8946584  595161404361125 1    351026 1      C-13-H3C(O)CH3
  863562.8705  0.1384 -4.3095 3  816.0671888  595161404553323 0    543222 0      C-13-H3C(O)CH3
  863708.3505  0.0622 -4.4129 3 1173.0717B60  595161404722052 0    712151 0      C-13-H3C(O)CH3
  863708.3505  0.0622 -4.4129 3 1173.0717B60  595161404722152 0    712051 0      C-13-H3C(O)CH3
  863732.0935  0.0066 -4.2560 3  284.9104584  595161404361225 0    35 926 0      C-13-H3C(O)CH3
  863732.0935  0.0066 -4.2560 3  284.9104584  595161404361125 0    351026 0      C-13-H3C(O)CH3
  863738.5963  0.0624 -4.7512 3 1173.0848B60  595161404722052 1    712151 1      C-13-H3C(O)CH3
  863738.5963  0.0624 -4.7512 3 1173.0848B60  595161404722152 1    712051 1      C-13-H3C(O)CH3
  863738.5963  0.0624 -4.6766 3 1173.0848B60  595161404722152 1    712151 1      C-13-H3C(O)CH3
  863738.5963  0.0624 -4.6766 3 1173.0848B60  595161404722052 1    712051 1      C-13-H3C(O)CH3
  863740.1200  0.0634 -4.7898 3 1173.0854B60  595161404722052 2    712051 2      C-13-H3C(O)CH3
  863740.1200  0.0634 -4.7898 3 1173.0854B60  595161404722152 2    712151 2      C-13-H3C(O)CH3
  863740.1200  0.0634 -4.6466 3 1173.0854B60  595161404722052 2    712151 2      C-13-H3C(O)CH3
  863740.1200  0.0634 -4.6466 3 1173.0854B60  595161404722152 2    712051 2      C-13-H3C(O)CH3
  863770.4014  0.0567 -4.7157 3 1173.0985580  595161404722052 3    712051 3      C-13-H3C(O)CH3
  863770.4014  0.0567 -4.7157 3 1173.0985580  595161404722152 3    712151 3      C-13-H3C(O)CH3
  863770.4564  0.0567 -4.8321 3 1173.0985580  595161404722052 4    712051 4      C-13-H3C(O)CH3
  863770.4564  0.0567 -5.3304 3 1173.0985580  595161404722152 4    712051 4      C-13-H3C(O)CH3
  863770.4564  0.0567 -4.8321 3 1173.0985580  595161404722152 4    712151 4      C-13-H3C(O)CH3
  863770.4564  0.0567 -5.3304 3 1173.0985580  595161404722052 4    712151 4      C-13-H3C(O)CH3
  864055.2624  0.0392 -5.8353 3 1252.4665C88  595161404801269 0    791168 0      C-13-H3C(O)CH3
  864055.2624  0.0392 -4.4496 3 1252.4665C88  595161404801269 0    791268 0      C-13-H3C(O)CH3
  864055.2624  0.0392 -5.8353 3 1252.4665C88  595161404801169 0    791268 0      C-13-H3C(O)CH3
  864055.2624  0.0392 -4.4496 3 1252.4665C88  595161404801169 0    791168 0      C-13-H3C(O)CH3
  864063.2414  0.0054 -3.3859 3  610.5372728 -5951614044539 6 0    4438 7 0      C-13-H3C(O)CH3
  864063.2414  0.0054 -3.3859 3  610.5372728 -5951614044539 7 0    4438 6 0      C-13-H3C(O)CH3
  864088.3027  0.0494 -4.4399 3 1252.4565C88  595161404801169 2    791168 2      C-13-H3C(O)CH3
  864088.3027  0.0494 -4.4399 3 1252.4565C88  595161404801269 2    791268 2      C-13-H3C(O)CH3
  864088.4527  0.0520 -4.4446 3 1252.4567C88  595161404801269 1    791168 1      C-13-H3C(O)CH3
  864088.4527  0.0520 -5.9778 3 1252.4567C88  595161404801169 1    791168 1      C-13-H3C(O)CH3
  864088.4527  0.0520 -4.4446 3 1252.4567C88  595161404801169 1    791268 1      C-13-H3C(O)CH3
  864088.4527  0.0520 -5.9778 3 1252.4567C88  595161404801269 1    791268 1      C-13-H3C(O)CH3
  864121.5172  0.0443 -5.4483 3 1252.4467644  595161404801169 3    791168 3      C-13-H3C(O)CH3
  864121.5172  0.0443 -5.4483 3 1252.4467644  595161404801269 3    791268 3      C-13-H3C(O)CH3
  864121.5172  0.0443 -4.8260 3 1252.4467644  595161404801169 3    791268 3      C-13-H3C(O)CH3
  864121.5172  0.0443 -4.8260 3 1252.4467644  595161404801269 3    791168 3      C-13-H3C(O)CH3
  864121.5624  0.0444 -4.7684 3 1252.4467644  595161404801169 4    791268 4      C-13-H3C(O)CH3
  864121.5624  0.0444 -4.7684 3 1252.4467644  595161404801269 4    791168 4      C-13-H3C(O)CH3
  864121.5624  0.0444 -5.8397 3 1252.4467644  595161404801269 4    791268 4      C-13-H3C(O)CH3
  864121.5624  0.0444 -5.8397 3 1252.4467644  595161404801169 4    791168 4      C-13-H3C(O)CH3
  864136.1322  0.0062 -3.3859 3  610.5472728 -5951614044539 6 2    4438 6 2      C-13-H3C(O)CH3
  864160.9806  0.0060 -3.3859 3  610.5244728 -5951614044539 7 2    4438 7 2      C-13-H3C(O)CH3
  864186.7610  0.0177 -5.7681 3 1283.0333700  59516140487 384 4    86 383 4      C-13-H3C(O)CH3
  864186.7610  0.0177 -4.7376 3 1283.0333700  59516140487 484 4    86 383 4      C-13-H3C(O)CH3
  864186.7610  0.0177 -4.7376 3 1283.0333700  59516140487 384 4    86 483 4      C-13-H3C(O)CH3
  864186.7610  0.0177 -5.7681 3 1283.0333700  59516140487 484 4    86 483 4      C-13-H3C(O)CH3
  864186.7951  0.0177 -4.8369 3 1283.0333700  59516140487 484 3    86 383 3      C-13-H3C(O)CH3
  864186.7951  0.0177 -5.2640 3 1283.0333700  59516140487 384 3    86 383 3      C-13-H3C(O)CH3
  864186.7951  0.0177 -4.8369 3 1283.0333700  59516140487 384 3    86 483 3      C-13-H3C(O)CH3
  864186.7951  0.0177 -5.2640 3 1283.0333700  59516140487 484 3    86 483 3      C-13-H3C(O)CH3
  864190.7592  0.0061 -3.3857 3  610.5576728 -5951614044539 6 1    4438 6 1      C-13-H3C(O)CH3
  864205.6018  0.0251 -4.4714 3 1283.0578E00 -59516140487 384 2    86 383 2      C-13-H3C(O)CH3
  864205.6018  0.0251 -5.2058 3 1283.0578E00 -59516140487 484 2    86 383 2      C-13-H3C(O)CH3
  864205.6018  0.0233 -4.3998 3 1283.0581E00 -59516140487 384 1    86 383 1      C-13-H3C(O)CH3
  864206.3649  0.0233 -4.3998 3 1283.0581E00  59516140487 484 1    86 483 1      C-13-H3C(O)CH3
  864206.3892  0.0251 -4.4714 3 1283.0578E00  59516140487 484 2    86 483 2      C-13-H3C(O)CH3
  864206.3892  0.0251 -5.2058 3 1283.0578E00  59516140487 384 2    86 483 2      C-13-H3C(O)CH3
  864222.0725  0.0059 -3.3857 3  610.5150728 -5951614044539 7 1    4438 7 1      C-13-H3C(O)CH3
  864225.9562  0.0179 -5.2718 3 1283.0826E00  59516140487 384 0    86 383 0      C-13-H3C(O)CH3
  864225.9562  0.0179 -4.4603 3 1283.0826E00  59516140487 384 0    86 483 0      C-13-H3C(O)CH3
  864225.9562  0.0179 -5.2718 3 1283.0826E00  59516140487 484 0    86 483 0      C-13-H3C(O)CH3
  864225.9562  0.0179 -4.4603 3 1283.0826E00  59516140487 484 0    86 383 0      C-13-H3C(O)CH3
  864263.1255  0.0090 -3.6868 3  610.5675364  5951614044539 6 4    4438 6 4      C-13-H3C(O)CH3
  864288.0668  0.0084 -3.6868 3  610.5448364  5951614044539 6 3    4438 6 3      C-13-H3C(O)CH3
  864294.3706  0.0085 -3.6867 3  610.5250364  5951614044539 7 3    4438 7 3      C-13-H3C(O)CH3
  864306.0946  0.1182 -4.3088 3  816.0460888  595161404553323 1    543222 1      C-13-H3C(O)CH3
  864319.8544  0.0086 -3.6867 3  610.5022364  5951614044539 7 4    4438 7 4      C-13-H3C(O)CH3
  864437.7900  0.1831 -4.3087 3  816.0409888  595161404553323 2    543222 2      C-13-H3C(O)CH3
  864553.5501  0.0254 -4.3715 3  428.8647648  595161404402615 0    392316 0      C-13-H3C(O)CH3
  864678.0638  0.0250 -4.3725 3  428.8437648  595161404402615 1    392316 1      C-13-H3C(O)CH3
  864695.8076  0.0733 -5.5828 3  637.0737776  595161404483316 2    473215 2      C-13-H3C(O)CH3
  864724.6782  0.0619 -4.6662 3 1187.2714B76  595161404732054 0    722053 0      C-13-H3C(O)CH3
  864724.6782  0.0619 -4.7844 3 1187.2714B76  595161404731954 0    722053 0      C-13-H3C(O)CH3
  864724.6782  0.0619 -4.7844 3 1187.2714B76  595161404732054 0    721953 0      C-13-H3C(O)CH3
  864724.6782  0.0619 -4.6662 3 1187.2714B76  595161404731954 0    721953 0      C-13-H3C(O)CH3
  864756.0185  0.0619 -5.0679 3 1187.2836B76  595161404732054 1    722053 1      C-13-H3C(O)CH3
  864756.0185  0.0619 -5.0679 3 1187.2836B76  595161404731954 1    721953 1      C-13-H3C(O)CH3
  864756.0185  0.0619 -4.5310 3 1187.2836B76  595161404731954 1    722053 1      C-13-H3C(O)CH3
  864756.0185  0.0619 -4.5310 3 1187.2836B76  595161404732054 1    721953 1      C-13-H3C(O)CH3
  864757.3775  0.0629 -4.4205 3 1187.2840B76  595161404732054 2    722053 2      C-13-H3C(O)CH3
  864757.3775  0.0629 -4.4205 3 1187.2840B76  595161404731954 2    721953 2      C-13-H3C(O)CH3
  864788.7537  0.0566 -5.2498 3 1187.2962588  595161404732054 3    722053 3      C-13-H3C(O)CH3
  864788.7537  0.0566 -4.8739 3 1187.2962588  595161404731954 3    722053 3      C-13-H3C(O)CH3
  864788.7537  0.0566 -4.7432 3 1187.2962588  595161404731954 3    721953 3      C-13-H3C(O)CH3
  864788.7537  0.0566 -6.0302 3 1187.2962588  595161404732054 3    721953 3      C-13-H3C(O)CH3
  864788.8095  0.0567 -4.7214 3 1187.2962588  595161404731954 4    722053 4      C-13-H3C(O)CH3
  864788.8095  0.0567 -4.7223 3 1187.2962588  595161404732054 4    721953 4      C-13-H3C(O)CH3
  864930.0781  0.0211 -5.4076 3  314.9718276  595161404342510 3    332212 3      C-13-H3C(O)CH3
  864955.6640  0.0225 -5.5038 3  314.9726276  595161404342510 4    332212 4      C-13-H3C(O)CH3
  864982.3275  0.0154 -5.2548 3  314.9927552  595161404342510 1    332212 1      C-13-H3C(O)CH3
  864993.4299  0.0545 -5.3307 3  637.0573776  595161404483316 1    473215 1      C-13-H3C(O)CH3
  865035.1156  0.0154 -5.0870 3  314.9927552  5951614043425 9 1    332212 1      C-13-H3C(O)CH3
  865137.2792  0.0260 -5.4266 3  314.9726276  5951614043425 9 4    332212 4      C-13-H3C(O)CH3
  865144.1884  0.0112 -5.9847 3  225.8089244  595161404301813 4    291316 4      C-13-H3C(O)CH3
  865147.4140  0.0099 -5.9847 3  225.8089244  595161404301813 3    291316 3      C-13-H3C(O)CH3
  865161.3835  1.0207 -5.7049 3 1188.0985532  595161404664026 3    654125 3      C-13-H3C(O)CH3
  865167.7076  0.1565 -4.6091 3  816.0200444  595161404553323 4    543222 4      C-13-H3C(O)CH3
  865196.9879  0.0184 -5.1506 3  314.9963552  595161404342510 2    332212 2      C-13-H3C(O)CH3
  865197.7725  0.1628 -4.6088 3  816.0195444  595161404553323 3    543222 3      C-13-H3C(O)CH3
  865210.2185  0.0098 -5.6843 3  225.8218488  595161404301813 2    291316 2      C-13-H3C(O)CH3
  865212.2176  0.0262 -5.5280 3  314.9718276  5951614043425 9 3    332212 3      C-13-H3C(O)CH3
  865222.1353  0.0394 -4.4428 3 1261.7611D04  595161404811071 0    801170 0      C-13-H3C(O)CH3
  865222.1353  0.0394 -4.4428 3 1261.7611D04  595161404811171 0    801070 0      C-13-H3C(O)CH3
  865225.6127  0.0326 -4.3796 3  428.8268648  595161404402615 2    392316 2      C-13-H3C(O)CH3
  865230.6140  0.9372 -5.7087 3 1188.0966532  595161404664026 4    654125 4      C-13-H3C(O)CH3
  865252.3264  0.0541 -4.8367 3 1261.7466D04  595161404811071 2    801070 2      C-13-H3C(O)CH3
  865252.3264  0.0541 -4.6561 3 1261.7466D04  595161404811071 2    801170 2      C-13-H3C(O)CH3
  865252.3264  0.0541 -4.8367 3 1261.7466D04  595161404811171 2    801170 2      C-13-H3C(O)CH3
  865252.3264  0.0541 -4.6561 3 1261.7466D04  595161404811171 2    801070 2      C-13-H3C(O)CH3
  865252.5154  0.0573 -5.2877 3 1261.7468D04  595161404811071 1    801170 1      C-13-H3C(O)CH3
  865252.5154  0.0573 -4.5020 3 1261.7468D04  595161404811071 1    801070 1      C-13-H3C(O)CH3
  865252.5154  0.0573 -5.2877 3 1261.7468D04  595161404811171 1    801070 1      C-13-H3C(O)CH3
  865252.5154  0.0573 -4.5020 3 1261.7468D04  595161404811171 1    801170 1      C-13-H3C(O)CH3
  865254.4539  0.7639 -6.0589 3 1466.0246B76  595161404734627 1    724726 1      C-13-H3C(O)CH3
  865267.5412  0.0097 -5.6836 3  225.8252488  595161404301813 1    291316 1      C-13-H3C(O)CH3
  865268.4635  0.0109 -4.9493 3  248.5717284  59516140435 827 4    34 628 4      C-13-H3C(O)CH3
  865268.4635  0.0109 -5.2127 3  248.5717284  59516140435 927 4    34 628 4      C-13-H3C(O)CH3
  865268.4635  0.0109 -4.9493 3  248.5717284  59516140435 927 4    34 728 4      C-13-H3C(O)CH3
  865268.4635  0.0109 -5.2127 3  248.5717284  59516140435 827 4    34 728 4      C-13-H3C(O)CH3
  865268.9708  0.0096 -4.9650 3  248.5717284  59516140435 927 3    34 628 3      C-13-H3C(O)CH3
  865268.9708  0.0096 -5.1853 3  248.5717284  59516140435 927 3    34 728 3      C-13-H3C(O)CH3
  865268.9708  0.0096 -4.9650 3  248.5717284  59516140435 827 3    34 728 3      C-13-H3C(O)CH3
  865268.9708  0.0096 -5.1853 3  248.5717284  59516140435 827 3    34 628 3      C-13-H3C(O)CH3
  865269.4034  0.0127 -4.8641 3  315.0166552  5951614043425 9 0    332212 0      C-13-H3C(O)CH3
  865276.6653  0.0318 -4.6864 3  428.8060324  595161404402615 4    392316 4      C-13-H3C(O)CH3
  865282.7268  0.0432 -5.3305 3 1261.7323652  595161404811071 3    801170 3      C-13-H3C(O)CH3
  865282.7268  0.0432 -5.3305 3 1261.7323652  595161404811171 3    801070 3      C-13-H3C(O)CH3
  865282.7268  0.0432 -4.8649 3 1261.7323652  595161404811071 3    801070 3      C-13-H3C(O)CH3
  865282.7268  0.0432 -4.8649 3 1261.7323652  595161404811171 3    801170 3      C-13-H3C(O)CH3
  865282.7643  0.0432 -4.9440 3 1261.7323652  595161404811071 4    801170 4      C-13-H3C(O)CH3
  865282.7643  0.0432 -4.9440 3 1261.7323652  595161404811171 4    801070 4      C-13-H3C(O)CH3
  865282.7643  0.0432 -5.1584 3 1261.7323652  595161404811171 4    801170 4      C-13-H3C(O)CH3
  865282.7643  0.0432 -5.1584 3 1261.7323652  595161404811071 4    801070 4      C-13-H3C(O)CH3
  865290.2152  0.0117 -5.9173 3  650.6590792  595161404493119 2    483019 2      C-13-H3C(O)CH3
  865330.7438  0.0097 -5.6840 3  225.8381488  595161404301813 0    291316 0      C-13-H3C(O)CH3
  865384.6204  0.0128 -5.7438 3  650.6543396  595161404493119 4    483019 4      C-13-H3C(O)CH3
  865411.2149  0.0360 -4.6763 3  428.8058324  595161404402615 3    392316 3      C-13-H3C(O)CH3
  865429.0261  0.0226 -5.1796 3  314.9963552  5951614043425 9 2    332212 2      C-13-H3C(O)CH3
  865436.8908  0.0128 -4.8498 3 1288.0488708  59516140488 386 4    87 385 4      C-13-H3C(O)CH3
  865436.8908  0.0128 -4.8498 3 1288.0488708  59516140488 286 4    87 285 4      C-13-H3C(O)CH3
  865436.8908  0.0128 -5.2236 3 1288.0488708  59516140488 286 4    87 385 4      C-13-H3C(O)CH3
  865436.8908  0.0128 -5.2236 3 1288.0488708  59516140488 386 4    87 285 4      C-13-H3C(O)CH3
  865436.8987  0.0129 -4.7945 3 1288.0487708  59516140488 386 3    87 285 3      C-13-H3C(O)CH3
  865436.8987  0.0129 -4.7945 3 1288.0487708  59516140488 286 3    87 385 3      C-13-H3C(O)CH3
  865436.8987  0.0129 -5.3917 3 1288.0487708  59516140488 286 3    87 285 3      C-13-H3C(O)CH3
  865436.8987  0.0129 -5.3917 3 1288.0487708  59516140488 386 3    87 385 3      C-13-H3C(O)CH3
  865460.3525  0.0184 -5.4006 3 1288.0582E16 -59516140488 286 2    87 385 2      C-13-H3C(O)CH3
  865460.3525  0.0149 -4.3956 3 1288.0587E16 -59516140488 386 1    87 285 1      C-13-H3C(O)CH3
  865460.3525  0.0184 -4.4408 3 1288.0582E16 -59516140488 386 2    87 385 2      C-13-H3C(O)CH3
  865460.3525  0.0184 -5.4006 3 1288.0582E16 -59516140488 386 2    87 285 2      C-13-H3C(O)CH3
  865460.3525  0.0149 -4.3956 3 1288.0587E16 -59516140488 286 1    87 385 1      C-13-H3C(O)CH3
  865460.3525  0.0184 -4.4408 3 1288.0582E16 -59516140488 286 2    87 285 2      C-13-H3C(O)CH3
  865483.6402  0.0122 -5.0471 3 1288.0682E16  59516140488 286 0    87 385 0      C-13-H3C(O)CH3
  865483.6402  0.0122 -4.5052 3 1288.0682E16  59516140488 386 0    87 385 0      C-13-H3C(O)CH3
  865483.8620  0.0122 -5.0471 3 1288.0682E16 -59516140488 386 0    87 285 0      C-13-H3C(O)CH3
  865483.8620  0.0122 -4.5052 3 1288.0682E16 -59516140488 286 0    87 285 0      C-13-H3C(O)CH3
  865541.1848  0.0053 -3.4584 3  617.3573744 -5951614044637 9 0    453610 0      C-13-H3C(O)CH3
  865541.1848  0.0053 -3.4584 3  617.3573744 -595161404463710 0    4536 9 0      C-13-H3C(O)CH3
  865571.7697  0.6949 -6.0312 3 1465.9883B76  595161404734627 0    724726 0      C-13-H3C(O)CH3
  865584.8494  0.0060 -3.4585 3  617.3783744 -5951614044637 9 2    4536 9 2      C-13-H3C(O)CH3
  865623.9040  0.0080 -4.4604 3  248.5720568  59516140435 827 2    34 628 2      C-13-H3C(O)CH3
  865623.9040  0.0080 -4.4604 3  248.5720568  59516140435 927 2    34 728 2      C-13-H3C(O)CH3
  865630.2782  0.0085 -4.7036 3  248.5727568  59516140435 927 1    34 728 1      C-13-H3C(O)CH3
  865630.2782  0.0085 -4.8246 3  248.5727568  59516140435 827 1    34 728 1      C-13-H3C(O)CH3
  865630.2782  0.0085 -4.7036 3  248.5727568  59516140435 827 1    34 628 1      C-13-H3C(O)CH3
  865630.2782  0.0085 -4.8246 3  248.5727568  59516140435 927 1    34 628 1      C-13-H3C(O)CH3
  865644.5401  0.0060 -3.4583 3  617.3736744 -5951614044637 9 1    4536 9 1      C-13-H3C(O)CH3
  865650.6572  0.0059 -3.4584 3  617.3601744 -595161404463710 2    453610 2      C-13-H3C(O)CH3
  865673.8138  0.0059 -3.4583 3  617.3427744 -595161404463710 1    453610 1      C-13-H3C(O)CH3
  865687.8261  0.0087 -3.7595 3  617.3946372  5951614044637 9 4    4536 9 4      C-13-H3C(O)CH3
  865717.5927  0.0069 -3.6797 3  637.0364776 -595161404483316 0    473215 0      C-13-H3C(O)CH3
  865717.5927  0.0079 -3.7595 3  617.3638372 -595161404463710 3    453610 3      C-13-H3C(O)CH3
  865754.0153  0.0078 -3.7594 3  617.3764372  5951614044637 9 3    4536 9 3      C-13-H3C(O)CH3
  865765.8743  0.0608 -4.9025 3 1200.9215B92  595161404741856 0    731855 0      C-13-H3C(O)CH3
  865765.8743  0.0608 -4.6064 3 1200.9215B92  595161404741856 0    731955 0      C-13-H3C(O)CH3
  865765.8743  0.0608 -4.4312 3 1200.9215B92  595161404741956 0    731955 0      C-13-H3C(O)CH3
  865783.7815  0.0080 -3.7594 3  617.3454372  595161404463710 4    453610 4      C-13-H3C(O)CH3
  865798.3625  0.0605 -5.3411 3 1200.9324B92  595161404741956 1    731855 1      C-13-H3C(O)CH3
  865798.3625  0.0605 -4.4857 3 1200.9324B92  595161404741956 1    731955 1      C-13-H3C(O)CH3
  865798.3625  0.0605 -5.3411 3 1200.9324B92  595161404741856 1    731955 1      C-13-H3C(O)CH3
  865798.3625  0.0605 -4.4857 3 1200.9324B92  595161404741856 1    731855 1      C-13-H3C(O)CH3
  865799.5325  0.0616 -4.4328 3 1200.9327B92  595161404741956 2    731855 2      C-13-H3C(O)CH3
  865799.5325  0.0616 -4.4328 3 1200.9327B92  595161404741856 2    731955 2      C-13-H3C(O)CH3
  865807.3433  0.0837 -4.7670 3  637.0645388  595161404483316 3    473215 3      C-13-H3C(O)CH3
  865832.0565  0.0562 -5.3360 3 1200.9437596  595161404741856 3    731955 3      C-13-H3C(O)CH3
  865832.0565  0.0562 -4.7521 3 1200.9437596  595161404741956 3    731955 3      C-13-H3C(O)CH3
  865832.0565  0.0562 -6.0348 3 1200.9437596  595161404741956 3    731855 3      C-13-H3C(O)CH3
  865832.0565  0.0562 -4.8537 3 1200.9437596  595161404741856 3    731855 3      C-13-H3C(O)CH3
  865832.1130  0.0562 -4.8024 3 1200.9437596  595161404741856 4    731855 4      C-13-H3C(O)CH3
  865832.1130  0.0562 -5.5440 3 1200.9437596  595161404741856 4    731955 4      C-13-H3C(O)CH3
  865832.1130  0.0562 -5.5440 3 1200.9437596  595161404741956 4    731855 4      C-13-H3C(O)CH3
  865832.1130  0.0562 -4.8024 3 1200.9437596  595161404741956 4    731955 4      C-13-H3C(O)CH3
  865855.2993  0.0074 -4.3764 3  349.1785308  595161404381622 4    371523 4      C-13-H3C(O)CH3
  865855.3514  0.0074 -4.3764 3  349.1785308  595161404381722 4    371423 4      C-13-H3C(O)CH3
  865855.5464  0.0073 -4.3764 3  349.1785308  595161404381622 3    371523 3      C-13-H3C(O)CH3
  865855.5988  0.0073 -4.3764 3  349.1785308  595161404381722 3    371423 3      C-13-H3C(O)CH3
  865870.6069  0.0068 -4.0756 3  349.2044616  595161404381622 2    371523 2      C-13-H3C(O)CH3
  865870.6575  0.0068 -4.0756 3  349.2044616  595161404381722 2    371423 2      C-13-H3C(O)CH3
  865884.6618  0.0067 -4.0756 3  349.2064616  595161404381622 1    371523 1      C-13-H3C(O)CH3
  865884.7099  0.0067 -4.0756 3  349.2064616  595161404381722 1    371423 1      C-13-H3C(O)CH3
  865899.7387  0.0059 -4.0757 3  349.2323616  595161404381622 0    371523 0      C-13-H3C(O)CH3
  865899.7852  0.0059 -4.0757 3  349.2323616  595161404381722 0    371423 0      C-13-H3C(O)CH3
  865981.6509  0.0075 -3.6850 3  637.0737776 -595161404483315 2    473215 2      C-13-H3C(O)CH3
  865984.0850  0.0074 -3.6894 3  637.0573776 -595161404483315 1    473215 1      C-13-H3C(O)CH3
  865984.5456  0.0078 -4.4584 3  248.5730568  59516140435 927 0    34 728 0      C-13-H3C(O)CH3
  865984.5456  0.0078 -4.4584 3  248.5730568  59516140435 827 0    34 628 0      C-13-H3C(O)CH3
  866025.6012  0.0068 -3.6795 3  637.0293776  595161404483315 0    473216 0      C-13-H3C(O)CH3
  866030.2650  0.0079 -3.6891 3  637.0227776 -595161404483316 1    473216 1      C-13-H3C(O)CH3
  866075.7281  0.0717 -4.3544 3  655.5460396  595161404493218 4    483117 4      C-13-H3C(O)CH3
  866082.0458  0.0079 -3.6844 3  637.0274776 -595161404483316 2    473216 2      C-13-H3C(O)CH3
  866106.1487  0.0105 -3.9823 3  637.0976388  595161404483315 4    473215 4      C-13-H3C(O)CH3
  866117.2043  0.0121 -4.0578 3  637.0645388  595161404483315 3    473215 3      C-13-H3C(O)CH3
  866124.5847  0.7685 -5.4038 3 1188.0702A64  595161404664026 1    654125 1      C-13-H3C(O)CH3
  866218.2954  0.0116 -4.0574 3  637.0508388  595161404483316 3    473216 3      C-13-H3C(O)CH3
  866229.3997  0.0103 -3.9814 3  637.0178388  595161404483316 4    473216 4      C-13-H3C(O)CH3
  866322.7868  0.0173 -5.1344 3  211.6191276  59516140434 529 4    33 330 4      C-13-H3C(O)CH3
  866322.7868  0.0173 -5.1344 3  211.6191276  59516140434 629 4    33 430 4      C-13-H3C(O)CH3
  866322.9287  0.0155 -5.1176 3  211.6191276  59516140434 529 3    33 330 3      C-13-H3C(O)CH3
  866322.9287  0.0155 -5.1176 3  211.6191276  59516140434 629 3    33 430 3      C-13-H3C(O)CH3
  866360.5809  0.0193 -5.6348 3  272.5393252  5951614043126 5 4    3023 7 4      C-13-H3C(O)CH3
  866363.7756  0.4098 -5.9339 3 1416.5987B60  595161404724429 1    714526 1      C-13-H3C(O)CH3
  866400.1612  0.0407 -4.4464 3 1270.5223D20 -59516140482 973 0    81 972 0      C-13-H3C(O)CH3
  866400.1612  0.0407 -4.4464 3 1270.5223D20 -595161404821073 0    811072 0      C-13-H3C(O)CH3
  866408.0085  0.0054 -3.5505 3  626.0792760 -595161404473513 0    463412 0      C-13-H3C(O)CH3
  866408.3154  0.0054 -3.5505 3  626.0792760  595161404473512 0    463413 0      C-13-H3C(O)CH3
  866428.5336  0.0595 -5.3988 3 1270.5031D20  59516140482 973 2    811072 2      C-13-H3C(O)CH3
  866428.5336  0.0595 -4.4899 3 1270.5031D20  59516140482 973 2    81 972 2      C-13-H3C(O)CH3
  866428.5336  0.0595 -5.3988 3 1270.5031D20  595161404821073 2    81 972 2      C-13-H3C(O)CH3
  866428.5336  0.0595 -4.4899 3 1270.5031D20  595161404821073 2    811072 2      C-13-H3C(O)CH3
  866428.7060  0.0628 -4.4904 3 1270.5032D20  59516140482 973 1    811072 1      C-13-H3C(O)CH3
  866428.7060  0.0628 -4.4904 3 1270.5032D20  595161404821073 1    81 972 1      C-13-H3C(O)CH3
  866428.7060  0.0628 -5.3946 3 1270.5032D20  595161404821073 1    811072 1      C-13-H3C(O)CH3
  866428.7060  0.0628 -5.3946 3 1270.5032D20  59516140482 973 1    81 972 1      C-13-H3C(O)CH3
  866454.9250  0.0421 -4.9620 3 1270.4840660  595161404821073 3    811072 3      C-13-H3C(O)CH3
  866454.9250  0.0421 -5.1386 3 1270.4840660  595161404821073 3    81 972 3      C-13-H3C(O)CH3
  866454.9250  0.0421 -4.9620 3 1270.4840660  59516140482 973 3    81 972 3      C-13-H3C(O)CH3
  866454.9250  0.0421 -5.1386 3 1270.4840660  59516140482 973 3    811072 3      C-13-H3C(O)CH3
  866454.9523  0.0421 -4.7454 3 1270.4840660  59516140482 973 4    811072 4      C-13-H3C(O)CH3
  866454.9523  0.0421 -4.7454 3 1270.4840660  595161404821073 4    81 972 4      C-13-H3C(O)CH3
  866462.6566  0.0058 -3.5507 3  626.1143760 -595161404473512 2    463412 2      C-13-H3C(O)CH3
  866479.8800  0.0169 -5.6314 3  272.5258252  5951614043126 6 3    3023 7 3      C-13-H3C(O)CH3
  866485.3769  1.0747 -5.4029 3 1188.0670A64  595161404664026 2    654125 2      C-13-H3C(O)CH3
  866504.0500  0.0060 -3.5506 3  626.0991760 -595161404473512 1    463412 1      C-13-H3C(O)CH3
  866518.7113  0.0371 -3.9144 3  655.5361792  595161404493218 2    483117 2      C-13-H3C(O)CH3
  866528.1564  0.0851 -4.7664 3  637.0508388  595161404483315 3    473216 3      C-13-H3C(O)CH3
  866540.7475  0.0066 -3.5505 3  626.0713760 -595161404473513 1    463413 1      C-13-H3C(O)CH3
  866546.4266  0.4927 -5.9335 3 1416.5895B60  595161404724429 2    714526 2      C-13-H3C(O)CH3
  866558.4588  0.0062 -3.5504 3  626.0864760 -595161404473513 2    463413 2      C-13-H3C(O)CH3
  866559.0274  0.0079 -3.8518 3  626.1342380  595161404473512 4    463412 4      C-13-H3C(O)CH3
  866596.0803  0.0115 -3.8811 3  626.1064380  595161404473513 3    463412 3      C-13-H3C(O)CH3
  866596.9591  0.0812 -5.0363 3  626.1063380  595161404473513 3    463413 3      C-13-H3C(O)CH3
  866606.6742  0.0226 -3.8729 3  655.5311792 -595161404493218 1    483117 1      C-13-H3C(O)CH3
  866606.6742  0.0126 -3.8198 3  655.5272792 -595161404493218 0    483117 0      C-13-H3C(O)CH3
  866647.5740  0.0460 -4.3771 3 1048.1773A32  595161404642935 0    633034 0      C-13-H3C(O)CH3
  866647.5777  0.0460 -4.3771 3 1048.1773A32  595161404643035 0    632934 0      C-13-H3C(O)CH3
  866653.9421  0.0806 -5.0360 3  626.1064380  595161404473512 3    463412 3      C-13-H3C(O)CH3
  866654.8208  0.0110 -3.8808 3  626.1063380  595161404473512 3    463413 3      C-13-H3C(O)CH3
  866677.7542  0.0465 -4.3772 3 1048.1911A32  595161404642935 1    633034 1      C-13-H3C(O)CH3
  866677.7589  0.0465 -4.3772 3 1048.1911A32  595161404643035 1    632934 1      C-13-H3C(O)CH3
  866680.4602  0.0489 -4.3772 3 1048.1925A32  595161404642935 2    633034 2      C-13-H3C(O)CH3
  866680.4643  0.0489 -4.3772 3 1048.1925A32  595161404643035 2    632934 2      C-13-H3C(O)CH3
  866691.5368  0.0088 -3.8513 3  626.0784380  595161404473513 4    463413 4      C-13-H3C(O)CH3
  866704.4769  0.0132 -5.1817 3 1292.5458716  59516140489 288 3    88 287 3      C-13-H3C(O)CH3
  866704.4769  0.0132 -4.8641 3 1292.5458716  59516140489 188 3    88 287 3      C-13-H3C(O)CH3
  866704.4769  0.0132 -5.1817 3 1292.5458716  59516140489 188 3    88 187 3      C-13-H3C(O)CH3
  866704.4769  0.0132 -4.8641 3 1292.5458716  59516140489 288 3    88 187 3      C-13-H3C(O)CH3
  866704.4992  0.0132 -4.7177 3 1292.5458716  59516140489 188 4    88 187 4      C-13-H3C(O)CH3
  866704.4992  0.0132 -4.7177 3 1292.5458716  59516140489 288 4    88 287 4      C-13-H3C(O)CH3
  866704.4992  0.0132 -5.9585 3 1292.5458716  59516140489 188 4    88 287 4      C-13-H3C(O)CH3
  866704.4992  0.0132 -5.9585 3 1292.5458716  59516140489 288 4    88 187 4      C-13-H3C(O)CH3
  866710.6855  0.0469 -4.6783 3 1048.2064516  595161404642935 3    633034 3      C-13-H3C(O)CH3
  866710.6907  0.0469 -4.6783 3 1048.2064516  595161404643035 3    632934 3      C-13-H3C(O)CH3
  866710.7403  0.0469 -4.6783 3 1048.2064516  595161404642935 4    633034 4      C-13-H3C(O)CH3
  866710.7454  0.0469 -4.6783 3 1048.2064516  595161404643035 4    632934 4      C-13-H3C(O)CH3
  866724.0139  0.0211 -4.4425 3 1292.5284E32  59516140489 188 2    88 287 2      C-13-H3C(O)CH3
  866724.0139  0.0211 -4.4425 3 1292.5284E32  59516140489 288 2    88 187 2      C-13-H3C(O)CH3
  866724.0139  0.0211 -5.3548 3 1292.5284E32  59516140489 288 2    88 287 2      C-13-H3C(O)CH3
  866724.0139  0.0211 -5.3548 3 1292.5284E32  59516140489 188 2    88 187 2      C-13-H3C(O)CH3
  866724.0656  0.0164 -4.5306 3 1292.5289E32 -59516140489 288 1    88 187 1      C-13-H3C(O)CH3
  866724.0656  0.0164 -4.9568 3 1292.5289E32 -59516140489 188 1    88 187 1      C-13-H3C(O)CH3
  866724.2220  0.0164 -4.9568 3 1292.5289E32  59516140489 288 1    88 287 1      C-13-H3C(O)CH3
  866724.2220  0.0164 -4.5306 3 1292.5289E32  59516140489 188 1    88 287 1      C-13-H3C(O)CH3
  866726.2145  0.0157 -5.3340 3  272.5584504  5951614043126 5 1    3023 7 1      C-13-H3C(O)CH3
  866743.6704  0.0128 -4.3927 3 1292.5115E32 -59516140489 188 0    88 287 0      C-13-H3C(O)CH3
  866743.7089  0.0128 -4.3927 3 1292.5115E32  59516140489 288 0    88 187 0      C-13-H3C(O)CH3
  866757.2188  0.3747 -5.9341 3 1416.5686B60  595161404724429 0    714526 0      C-13-H3C(O)CH3
  866768.2598  0.0293 -6.0302 3  174.0534268  59516140433 231 3    32 032 3      C-13-H3C(O)CH3
  866768.2598  0.0293 -6.0302 3  174.0534268  59516140433 331 3    32 132 3      C-13-H3C(O)CH3
  866769.2450  0.0424 -4.3762 3 1028.0428A16  595161404633033 0    623132 0      C-13-H3C(O)CH3
  866769.4337  0.0424 -4.3762 3 1028.0428A16  595161404633133 0    623032 0      C-13-H3C(O)CH3
  866803.2553  0.0429 -4.3763 3 1028.0555A16  595161404633033 1    623132 1      C-13-H3C(O)CH3
  866803.4768  0.0429 -4.3763 3 1028.0555A16  595161404633133 1    623032 1      C-13-H3C(O)CH3
  866806.5453  0.0456 -4.3763 3 1028.0570A16  595161404633033 2    623132 2      C-13-H3C(O)CH3
  866806.7519  0.0456 -4.3763 3 1028.0570A16  595161404633133 2    623032 2      C-13-H3C(O)CH3
  866828.5331  0.0590 -4.6318 3 1214.0248C08  595161404751758 0    741757 0      C-13-H3C(O)CH3
  866828.5331  0.0590 -4.8798 3 1214.0248C08  595161404751758 0    741857 0      C-13-H3C(O)CH3
  866828.5331  0.0590 -4.8798 3 1214.0248C08  595161404751858 0    741757 0      C-13-H3C(O)CH3
  866828.5331  0.0590 -4.6318 3 1214.0248C08  595161404751858 0    741857 0      C-13-H3C(O)CH3
  866840.6101  0.0444 -4.6774 3 1028.0697508  595161404633033 3    623132 3      C-13-H3C(O)CH3
  866840.6727  0.0444 -4.6774 3 1028.0697508  595161404633033 4    623132 4      C-13-H3C(O)CH3
  866840.8522  0.0444 -4.6774 3 1028.0696508  595161404633133 3    623032 3      C-13-H3C(O)CH3
  866840.9134  0.0444 -4.6774 3 1028.0697508  595161404633133 4    623032 4      C-13-H3C(O)CH3
  866862.1460  0.0584 -5.2376 3 1214.0342C08  595161404751758 1    741857 1      C-13-H3C(O)CH3
  866862.1460  0.0584 -4.5122 3 1214.0342C08  595161404751758 1    741757 1      C-13-H3C(O)CH3
  866862.1460  0.0584 -4.5122 3 1214.0342C08  595161404751858 1    741857 1      C-13-H3C(O)CH3
  866862.1460  0.0584 -5.2376 3 1214.0342C08  595161404751858 1    741757 1      C-13-H3C(O)CH3
  866863.1072  0.0595 -5.0611 3 1214.0344C08  595161404751758 2    741757 2      C-13-H3C(O)CH3
  866863.1072  0.0595 -5.5947 3 1214.0344C08  595161404751858 2    741857 2      C-13-H3C(O)CH3
  866863.1072  0.0595 -4.5552 3 1214.0344C08  595161404751758 2    741857 2      C-13-H3C(O)CH3
  866863.1072  0.0595 -4.4687 3 1214.0344C08  595161404751858 2    741757 2      C-13-H3C(O)CH3
  866863.9979  0.0495 -4.3814 3 1067.6468A48  595161404652837 0    642936 0      C-13-H3C(O)CH3
  866863.9980  0.0495 -4.3814 3 1067.6468A48  595161404652937 0    642836 0      C-13-H3C(O)CH3
  866873.5030  0.7394 -5.9362 3 1423.4439B60  595161404724527 1    714626 1      C-13-H3C(O)CH3
  866887.7582  0.0172 -5.6336 3  272.5195252  5951614043126 5 3    3023 8 3      C-13-H3C(O)CH3
  866891.7578  0.0500 -4.3815 3 1067.6614A48  595161404652937 1    642836 1      C-13-H3C(O)CH3
  866891.7578  0.0500 -4.3815 3 1067.6614A48  595161404652837 1    642936 1      C-13-H3C(O)CH3
  866894.1521  0.0522 -4.3815 3 1067.6627A48  595161404652837 2    642936 2      C-13-H3C(O)CH3
  866894.1522  0.0522 -4.3815 3 1067.6627A48  595161404652937 2    642836 2      C-13-H3C(O)CH3
  866896.7558  0.0554 -4.7399 3 1214.0437604  595161404751758 3    741757 3      C-13-H3C(O)CH3
  866896.7558  0.0554 -4.7399 3 1214.0437604  595161404751858 3    741857 3      C-13-H3C(O)CH3
  866896.8128  0.0554 -5.0816 3 1214.0437604  595161404751858 4    741757 4      C-13-H3C(O)CH3
  866896.8128  0.0554 -5.0009 3 1214.0437604  595161404751758 4    741757 4      C-13-H3C(O)CH3
  866896.8128  0.0554 -5.0816 3 1214.0437604  595161404751758 4    741857 4      C-13-H3C(O)CH3
  866896.8128  0.0554 -5.0009 3 1214.0437604  595161404751858 4    741857 4      C-13-H3C(O)CH3
  866916.1499  0.0151 -5.9795 3  211.5927552  59516140434 529 2    33 330 2      C-13-H3C(O)CH3
  866916.1499  0.0151 -4.8461 3  211.5927552  59516140434 529 2    33 430 2      C-13-H3C(O)CH3
  866916.1499  0.0151 -5.4635 3  211.5927552  59516140434 629 2    33 330 2      C-13-H3C(O)CH3
  866916.1499  0.0151 -4.9259 3  211.5927552  59516140434 629 2    33 430 2      C-13-H3C(O)CH3
  866919.8861  0.0163 -4.9682 3  211.5932552  59516140434 529 1    33 330 1      C-13-H3C(O)CH3
  866919.8861  0.0163 -5.3432 3  211.5932552  59516140434 529 1    33 430 1      C-13-H3C(O)CH3
  866919.8861  0.0163 -5.3432 3  211.5932552  59516140434 629 1    33 330 1      C-13-H3C(O)CH3
  866919.8861  0.0163 -4.9682 3  211.5932552  59516140434 629 1    33 430 1      C-13-H3C(O)CH3
  866921.9517  0.0493 -4.6825 3 1067.6774524  595161404652837 3    642936 3      C-13-H3C(O)CH3
  866921.9518  0.0493 -4.6825 3 1067.6774524  595161404652937 3    642836 3      C-13-H3C(O)CH3
  866922.0025  0.0493 -4.6825 3 1067.6774524  595161404652837 4    642936 4      C-13-H3C(O)CH3
  866922.0026  0.0493 -4.6825 3 1067.6774524  595161404652937 4    642836 4      C-13-H3C(O)CH3
  866950.8105  0.0152 -5.3366 3  272.5691504  5951614043126 5 2    3023 7 2      C-13-H3C(O)CH3
  867005.0675  0.0188 -5.6302 3  272.5061252  5951614043126 6 4    3023 8 4      C-13-H3C(O)CH3
  867020.7599  0.0566 -5.3290 3  637.0227776  595161404483315 1    473216 1      C-13-H3C(O)CH3
  867065.9972  0.0155 -5.3332 3  272.5556504  5951614043126 6 2    3023 8 2      C-13-H3C(O)CH3
  867076.2998  0.0185 -4.1269 3  655.5334396  595161404493218 3    483117 3      C-13-H3C(O)CH3
  867098.6149  1.0168 -5.9460 3 1423.4311B60  595161404724527 2    714626 2      C-13-H3C(O)CH3
  867249.2312  0.0156 -5.3328 3  272.5386504  5951614043126 6 1    3023 8 1      C-13-H3C(O)CH3
  867306.6084  0.0530 -4.3879 3 1086.4826A64  595161404662839 0    652738 0      C-13-H3C(O)CH3
  867306.6084  0.0530 -4.3878 3 1086.4826A64  595161404662739 0    652838 0      C-13-H3C(O)CH3
  867314.9418  0.0158 -5.3367 3  272.5880504  5951614043126 6 0    3023 7 0      C-13-H3C(O)CH3
  867318.3475  0.0158 -5.3367 3  272.5878504  5951614043126 5 0    3023 8 0      C-13-H3C(O)CH3
  867332.8752  0.0536 -4.3878 3 1086.4978A64  595161404662839 1    652738 1      C-13-H3C(O)CH3
  867332.8752  0.0536 -4.3878 3 1086.4978A64  595161404662739 1    652838 1      C-13-H3C(O)CH3
  867335.1024  0.0554 -4.3881 3 1086.4990A64  595161404662839 2    652738 2      C-13-H3C(O)CH3
  867335.1024  0.0554 -4.3880 3 1086.4990A64  595161404662739 2    652838 2      C-13-H3C(O)CH3
  867361.4059  0.0515 -4.6889 3 1086.5143532  595161404662739 3    652838 3      C-13-H3C(O)CH3
  867361.4059  0.0515 -4.6889 3 1086.5143532  595161404662839 3    652738 3      C-13-H3C(O)CH3
  867361.4547  0.0515 -4.6889 3 1086.5143532  595161404662839 4    652738 4      C-13-H3C(O)CH3
  867361.4547  0.0515 -4.6889 3 1086.5143532  595161404662739 4    652838 4      C-13-H3C(O)CH3
  867367.9272  0.0765 -5.5807 3  637.0274776  595161404483315 2    473216 2      C-13-H3C(O)CH3
  867412.6702  0.7307 -5.9365 3 1423.4059B60  595161404724527 0    714626 0      C-13-H3C(O)CH3
  867418.7993  0.8227 -5.4010 3 1188.0399A64  595161404664026 0    654125 0      C-13-H3C(O)CH3
  867426.7264  0.0390 -4.3806 3 1007.1958A00  595161404623131 0    613230 0      C-13-H3C(O)CH3
  867434.2163  0.0389 -4.3806 3 1007.1956A00  595161404623231 0    613130 0      C-13-H3C(O)CH3
  867466.7092  0.0394 -4.3808 3 1007.2068A00  595161404623131 1    613230 1      C-13-H3C(O)CH3
  867471.2131  0.0422 -4.3807 3 1007.2083A00  595161404623131 2    613230 2      C-13-H3C(O)CH3
  867475.0453  0.0393 -4.3808 3 1007.2066A00  595161404623231 1    613130 1      C-13-H3C(O)CH3
  867479.2585  0.0420 -4.3807 3 1007.2081A00  595161404623231 2    613130 2      C-13-H3C(O)CH3
  867511.2456  0.0417 -4.6819 3 1007.2193500  595161404623131 3    613230 3      C-13-H3C(O)CH3
  867511.3363  0.0417 -4.6819 3 1007.2193500  595161404623131 4    613230 4      C-13-H3C(O)CH3
  867511.8597  0.0142 -6.0736 3  211.5669552  59516140434 529 0    33 430 0      C-13-H3C(O)CH3
  867511.8597  0.0142 -4.8391 3  211.5669552  59516140434 529 0    33 330 0      C-13-H3C(O)CH3
  867511.8597  0.0142 -6.0736 3  211.5669552  59516140434 629 0    33 330 0      C-13-H3C(O)CH3
  867511.8597  0.0142 -4.8391 3  211.5669552  59516140434 629 0    33 430 0      C-13-H3C(O)CH3
  867520.1965  0.0415 -4.6819 3 1007.2191500  595161404623231 3    613130 3      C-13-H3C(O)CH3
  867520.2591  0.0415 -4.6819 3 1007.2191500  595161404623231 4    613130 4      C-13-H3C(O)CH3
  867591.0612  0.0423 -4.5781 3 1278.7509D36 -59516140483 875 0    82 974 0      C-13-H3C(O)CH3
  867591.0612  0.0423 -4.5781 3 1278.7509D36 -59516140483 975 0    82 874 0      C-13-H3C(O)CH3
  867591.0612  0.0423 -5.0125 3 1278.7509D36 -59516140483 975 0    82 974 0      C-13-H3C(O)CH3
  867591.0612  0.0423 -5.0125 3 1278.7509D36 -59516140483 875 0    82 874 0      C-13-H3C(O)CH3
  867616.7843  0.0640 -4.5212 3 1278.7269D36  59516140483 975 2    82 974 2      C-13-H3C(O)CH3
  867616.7843  0.0640 -5.2203 3 1278.7269D36  59516140483 975 2    82 874 2      C-13-H3C(O)CH3
  867616.7843  0.0640 -4.5212 3 1278.7269D36  59516140483 875 2    82 874 2      C-13-H3C(O)CH3
  867616.7843  0.0640 -5.2203 3 1278.7269D36  59516140483 875 2    82 974 2      C-13-H3C(O)CH3
  867616.8915  0.0671 -4.5290 3 1278.7271D36  59516140483 875 1    82 974 1      C-13-H3C(O)CH3
  867616.8915  0.0671 -5.1829 3 1278.7271D36  59516140483 875 1    82 874 1      C-13-H3C(O)CH3
  867616.8915  0.0671 -4.5290 3 1278.7271D36  59516140483 975 1    82 874 1      C-13-H3C(O)CH3
  867616.8915  0.0671 -5.1829 3 1278.7271D36  59516140483 975 1    82 974 1      C-13-H3C(O)CH3
  867637.8383  0.0407 -4.7687 3 1278.7031668  59516140483 875 3    82 974 3      C-13-H3C(O)CH3
  867637.8383  0.0407 -5.9826 3 1278.7031668  59516140483 875 3    82 874 3      C-13-H3C(O)CH3
  867637.8383  0.0407 -5.9826 3 1278.7031668  59516140483 975 3    82 974 3      C-13-H3C(O)CH3
  867637.8383  0.0407 -4.7687 3 1278.7031668  59516140483 975 3    82 874 3      C-13-H3C(O)CH3
  867637.8526  0.0408 -5.5384 3 1278.7031668  59516140483 975 4    82 874 4      C-13-H3C(O)CH3
  867637.8526  0.0408 -4.8188 3 1278.7031668  59516140483 975 4    82 974 4      C-13-H3C(O)CH3
  867637.8526  0.0408 -5.5384 3 1278.7031668  59516140483 875 4    82 974 4      C-13-H3C(O)CH3
  867637.8526  0.0408 -4.8188 3 1278.7031668  59516140483 875 4    82 874 4      C-13-H3C(O)CH3
  867692.6683  0.0398 -5.7678 3  173.9843536  59516140433 331 2    32 032 2      C-13-H3C(O)CH3
  867692.6683  0.0398 -5.7678 3  173.9843536  59516140433 231 2    32 132 2      C-13-H3C(O)CH3
  867693.4598  0.0414 -5.7394 3  173.9847536  59516140433 331 1    32 132 1      C-13-H3C(O)CH3
  867693.4598  0.0414 -5.7394 3  173.9847536  59516140433 231 1    32 032 1      C-13-H3C(O)CH3
  867871.5449  0.0238 -5.9192 3  249.0474472  5951614042927 3 1    2824 4 1      C-13-H3C(O)CH3
  867872.5124  0.0222 -5.9217 3  249.0651472  5951614042927 2 2    2824 4 2      C-13-H3C(O)CH3
  867907.6193  0.0563 -4.7220 3 1104.7067A80  595161404672741 0    662640 0      C-13-H3C(O)CH3
  867907.6193  0.0563 -4.6728 3 1104.7067A80  595161404672741 0    662740 0      C-13-H3C(O)CH3
  867907.6193  0.0563 -4.6728 3 1104.7067A80  595161404672641 0    662640 0      C-13-H3C(O)CH3
  867907.6193  0.0563 -4.7220 3 1104.7067A80  595161404672641 0    662740 0      C-13-H3C(O)CH3
  867910.1104  0.0564 -4.5580 3 1226.5840C24  595161404761760 0    751759 0      C-13-H3C(O)CH3
  867910.1104  0.0564 -5.0858 3 1226.5840C24  595161404761760 0    751659 0      C-13-H3C(O)CH3
  867910.1104  0.0564 -5.0858 3 1226.5840C24  595161404761660 0    751759 0      C-13-H3C(O)CH3
  867910.1104  0.0564 -4.5580 3 1226.5840C24  595161404761660 0    751659 0      C-13-H3C(O)CH3
  867933.0611  0.0569 -5.2670 3 1104.7223A80  595161404672641 1    662740 1      C-13-H3C(O)CH3
  867933.0612  0.0569 -4.4584 3 1104.7223A80  595161404672641 1    662640 1      C-13-H3C(O)CH3
  867933.0612  0.0569 -4.9393 3 1104.7223A80  595161404672741 1    662740 1      C-13-H3C(O)CH3
  867933.0612  0.0569 -4.5420 3 1104.7223A80  595161404672741 1    662640 1      C-13-H3C(O)CH3
  867935.1964  0.0585 -5.3377 3 1104.7234A80  595161404672741 2    662640 2      C-13-H3C(O)CH3
  867935.1964  0.0585 -4.4484 3 1104.7234A80  595161404672641 2    662640 2      C-13-H3C(O)CH3
  867935.1964  0.0585 -4.4484 3 1104.7234A80  595161404672741 2    662740 2      C-13-H3C(O)CH3
  867935.1964  0.0585 -5.3377 3 1104.7234A80  595161404672641 2    662740 2      C-13-H3C(O)CH3
  867944.7345  0.0557 -4.7999 3 1226.5914C24  595161404761660 1    751659 1      C-13-H3C(O)CH3
  867944.7345  0.0557 -4.5387 3 1226.5914C24  595161404761760 1    751759 1      C-13-H3C(O)CH3
  867944.7345  0.0557 -5.1581 3 1226.5914C24  595161404761760 1    751659 1      C-13-H3C(O)CH3
  867944.7345  0.0557 -4.6985 3 1226.5914C24  595161404761660 1    751759 1      C-13-H3C(O)CH3
  867945.4747  0.0567 -4.4503 3 1226.5915C24  595161404761760 2    751759 2      C-13-H3C(O)CH3
  867945.4747  0.0567 -4.4503 3 1226.5915C24  595161404761660 2    751659 2      C-13-H3C(O)CH3
  867960.6733  0.0536 -4.7068 3 1104.7390540  595161404672741 3    662640 3      C-13-H3C(O)CH3
  867960.6733  0.0536 -4.7068 3 1104.7390540  595161404672641 3    662740 3      C-13-H3C(O)CH3
  867960.7211  0.0536 -6.0286 3 1104.7391540  595161404672641 4    662740 4      C-13-H3C(O)CH3
  867960.7211  0.0536 -4.7175 3 1104.7391540  595161404672641 4    662640 4      C-13-H3C(O)CH3
  867960.7211  0.0536 -6.0286 3 1104.7391540  595161404672741 4    662640 4      C-13-H3C(O)CH3
  867960.7211  0.0536 -4.7175 3 1104.7391540  595161404672741 4    662740 4      C-13-H3C(O)CH3
  867980.1340  0.0543 -4.7466 3 1226.5990612  595161404761660 3    751759 3      C-13-H3C(O)CH3
  867980.1340  0.0543 -4.7466 3 1226.5990612  595161404761760 3    751659 3      C-13-H3C(O)CH3
  867980.1912  0.0544 -4.8418 3 1226.5990612  595161404761760 4    751659 4      C-13-H3C(O)CH3
  867980.1912  0.0544 -5.4505 3 1226.5990612  595161404761760 4    751759 4      C-13-H3C(O)CH3
  867980.1912  0.0544 -4.8418 3 1226.5990612  595161404761660 4    751759 4      C-13-H3C(O)CH3
  867980.1912  0.0544 -5.4505 3 1226.5990612  595161404761660 4    751659 4      C-13-H3C(O)CH3
  867993.8493  0.0223 -5.0396 3 1296.5291724  59516140490 190 4    89 089 4      C-13-H3C(O)CH3
  867993.8493  0.0223 -4.9465 3 1296.5291724  59516140490 090 4    89 089 4      C-13-H3C(O)CH3
  867993.8715  0.0223 -5.4759 3 1296.5291724  59516140490 190 3    89 089 3      C-13-H3C(O)CH3
  867993.8715  0.0223 -5.4759 3 1296.5291724  59516140490 090 3    89 189 3      C-13-H3C(O)CH3
  867993.9244  0.0223 -5.0396 3 1296.5291724 -59516140490 090 4    89 189 4      C-13-H3C(O)CH3
  867993.9244  0.0223 -4.7671 3 1296.5291724 -59516140490 090 3    89 089 3      C-13-H3C(O)CH3
  867993.9244  0.0223 -4.7671 3 1296.5291724 -59516140490 190 3    89 189 3      C-13-H3C(O)CH3
  867993.9244  0.0223 -4.9465 3 1296.5291724 -59516140490 190 4    89 189 4      C-13-H3C(O)CH3
  867996.1530  0.0260 -4.5577 3 1296.4674E48  59516140490 090 1    89 089 1      C-13-H3C(O)CH3
  867996.1530  0.0260 -4.6882 3 1296.4674E48  59516140490 190 1    89 189 1      C-13-H3C(O)CH3
  867996.1773  0.0361 -4.4713 3 1296.4673E48 -59516140490 090 2    89 089 2      C-13-H3C(O)CH3
  867996.1773  0.0260 -4.6906 3 1296.4674E48 -59516140490 190 1    89 089 1      C-13-H3C(O)CH3
  867996.1773  0.0361 -5.1481 3 1296.4673E48 -59516140490 190 2    89 089 2      C-13-H3C(O)CH3
  867996.1773  0.0260 -4.8793 3 1296.4674E48 -59516140490 090 1    89 189 1      C-13-H3C(O)CH3
  867996.3544  0.0361 -4.4713 3 1296.4673E48  59516140490 190 2    89 189 2      C-13-H3C(O)CH3
  867996.3544  0.0361 -5.1481 3 1296.4673E48  59516140490 090 2    89 189 2      C-13-H3C(O)CH3
  867998.6158  0.0233 -4.8496 3 1296.4057E48  59516140490 090 0    89 189 0      C-13-H3C(O)CH3
  867998.6158  0.0233 -4.5724 3 1296.4057E48  59516140490 190 0    89 189 0      C-13-H3C(O)CH3
  867998.6333  0.0233 -4.8496 3 1296.4057E48 -59516140490 190 0    89 089 0      C-13-H3C(O)CH3
  867998.6333  0.0233 -4.5724 3 1296.4057E48 -59516140490 090 0    89 089 0      C-13-H3C(O)CH3
  868098.4078  0.0523 -4.2537 3  622.4247388  595161404483018 3    472919 3      C-13-H3C(O)CH3
  868230.5021  0.0435 -4.2578 3  622.4232388  595161404483018 4    472919 4      C-13-H3C(O)CH3
  868232.7437  0.0467 -3.9558 3  622.4313776  595161404483018 2    472919 2      C-13-H3C(O)CH3
  868265.5647  0.0233 -5.9180 3  249.0398472  5951614042927 3 2    2824 5 2      C-13-H3C(O)CH3
  868277.8509  0.0067 -3.3181 3  613.5935712 -5951614044442 2 0    4341 2 0      C-13-H3C(O)CH3
  868277.8509  0.0067 -3.3181 3  613.5935712 -5951614044442 3 0    4341 3 0      C-13-H3C(O)CH3
  868318.8232  0.0284 -3.9562 3  622.4328776  595161404483018 1    472919 1      C-13-H3C(O)CH3
  868368.4596  0.0115 -4.7644 3  341.6722584  595161404362313 0    352016 0      C-13-H3C(O)CH3
  868392.8362  0.0290 -3.9573 3  622.4401776  595161404483018 0    472919 0      C-13-H3C(O)CH3
  868425.3492  0.0075 -3.3180 3  613.6375712 -5951614044442 2 1    4341 2 1      C-13-H3C(O)CH3
  868429.1138  0.0081 -3.3180 3  613.6100712 -5951614044442 2 2    4341 2 2      C-13-H3C(O)CH3
  868429.1138  0.0075 -3.3179 3  613.5584712 -5951614044442 3 2    4341 3 2      C-13-H3C(O)CH3
  868453.5038  0.0116 -4.7643 3  341.6506584  595161404362313 1    352016 1      C-13-H3C(O)CH3
  868466.2770  0.0118 -4.7634 3  341.6447584  595161404362313 2    352016 2      C-13-H3C(O)CH3
  868509.4253  0.0073 -3.3178 3  613.5743712 -5951614044442 3 1    4341 3 1      C-13-H3C(O)CH3
  868527.9098  0.0235 -5.9230 3  249.0921472  5951614042927 3 0    2824 4 0      C-13-H3C(O)CH3
  868527.9126  0.0235 -5.9230 3  249.0921472  5951614042927 2 0    2824 5 0      C-13-H3C(O)CH3
  868547.5602  0.0118 -5.0643 3  341.6230292  595161404362313 4    352016 4      C-13-H3C(O)CH3
  868550.3949  0.0126 -5.0642 3  341.6230292  595161404362313 3    352016 3      C-13-H3C(O)CH3
  868575.8006  0.0118 -3.6189 3  613.6023356  5951614044442 2 3    4341 2 3      C-13-H3C(O)CH3
  868577.1942  0.0127 -3.6189 3  613.6538356  5951614044442 2 4    4341 2 4      C-13-H3C(O)CH3
  868615.6126  0.0385 -5.7594 3  173.9158536  59516140433 231 0    32 032 0      C-13-H3C(O)CH3
  868615.6126  0.0385 -5.7594 3  173.9158536  59516140433 331 0    32 132 0      C-13-H3C(O)CH3
  868623.5656  0.0594 -4.4045 3 1122.3351A96  595161404682543 0    672642 0      C-13-H3C(O)CH3
  868623.5656  0.0594 -4.4045 3 1122.3351A96  595161404682643 0    672542 0      C-13-H3C(O)CH3
  868634.2018  0.0232 -5.9185 3  249.0286472  5951614042927 2 1    2824 5 1      C-13-H3C(O)CH3
  868648.6979  0.0600 -5.3348 3 1122.3509A96  595161404682543 1    672542 1      C-13-H3C(O)CH3
  868648.6979  0.0600 -4.4587 3 1122.3509A96  595161404682543 1    672642 1      C-13-H3C(O)CH3
  868648.6979  0.0600 -5.3348 3 1122.3509A96  595161404682643 1    672642 1      C-13-H3C(O)CH3
  868648.6979  0.0600 -4.4587 3 1122.3509A96  595161404682643 1    672542 1      C-13-H3C(O)CH3
  868650.7753  0.0614 -4.4046 3 1122.3520A96  595161404682643 2    672542 2      C-13-H3C(O)CH3
  868650.7753  0.0614 -4.4046 3 1122.3520A96  595161404682543 2    672642 2      C-13-H3C(O)CH3
  868659.5875  0.0119 -3.6187 3  613.5392356  5951614044442 3 4    4341 3 4      C-13-H3C(O)CH3
  868660.6109  0.0121 -3.6187 3  613.5907356  5951614044442 3 3    4341 3 3      C-13-H3C(O)CH3
  868675.9417  0.0555 -4.7387 3 1122.3678548  595161404682543 3    672542 3      C-13-H3C(O)CH3
  868675.9417  0.0555 -5.8389 3 1122.3678548  595161404682543 3    672642 3      C-13-H3C(O)CH3
  868675.9417  0.0555 -5.8389 3 1122.3678548  595161404682643 3    672542 3      C-13-H3C(O)CH3
  868675.9417  0.0555 -4.7387 3 1122.3678548  595161404682643 3    672642 3      C-13-H3C(O)CH3
  868675.9893  0.0555 -4.7063 3 1122.3678548  595161404682643 4    672642 4      C-13-H3C(O)CH3
  868675.9893  0.0555 -4.7063 3 1122.3678548  595161404682543 4    672542 4      C-13-H3C(O)CH3
  868802.7007  0.0430 -4.6216 3 1286.4475D52  59516140484 877 0    83 876 0      C-13-H3C(O)CH3
  868802.7007  0.0430 -4.9180 3 1286.4475D52  59516140484 877 0    83 776 0      C-13-H3C(O)CH3
  868802.7007  0.0430 -4.6216 3 1286.4475D52  59516140484 777 0    83 776 0      C-13-H3C(O)CH3
  868802.7007  0.0430 -4.9180 3 1286.4475D52  59516140484 777 0    83 876 0      C-13-H3C(O)CH3
  868817.0182  0.0658 -4.8504 3 1286.4191D52  59516140484 877 2    83 876 2      C-13-H3C(O)CH3
  868817.0182  0.0658 -4.6601 3 1286.4191D52  59516140484 877 2    83 776 2      C-13-H3C(O)CH3
  868817.0182  0.0658 -4.6601 3 1286.4191D52  59516140484 777 2    83 876 2      C-13-H3C(O)CH3
  868817.0182  0.0658 -4.8504 3 1286.4191D52  59516140484 777 2    83 776 2      C-13-H3C(O)CH3
  868817.0292  0.0684 -4.4516 3 1286.4192D52  59516140484 877 1    83 876 1      C-13-H3C(O)CH3
  868817.0292  0.0684 -4.4516 3 1286.4192D52  59516140484 777 1    83 776 1      C-13-H3C(O)CH3
  868831.3561  0.0388 -4.7495 3 1286.3908676  59516140484 777 4    83 876 4      C-13-H3C(O)CH3
  868831.3561  0.0388 -6.0334 3 1286.3908676  59516140484 877 4    83 876 4      C-13-H3C(O)CH3
  868831.3561  0.0388 -4.7678 3 1286.3908676  59516140484 877 4    83 776 4      C-13-H3C(O)CH3
  868831.3574  0.0388 -4.7763 3 1286.3908676  59516140484 877 3    83 876 3      C-13-H3C(O)CH3
  868831.3574  0.0388 -4.7763 3 1286.3908676  59516140484 777 3    83 776 3      C-13-H3C(O)CH3
  868831.3574  0.0388 -5.9003 3 1286.3908676  59516140484 877 3    83 776 3      C-13-H3C(O)CH3
  868831.3574  0.0388 -5.9003 3 1286.3908676  59516140484 777 3    83 876 3      C-13-H3C(O)CH3
  868933.6631  0.0359 -4.3944 3  985.5597984  595161404613229 0    603328 0      C-13-H3C(O)CH3
  868974.9689  0.0510 -4.0375 3  705.2166824  595161404513220 0    503119 0      C-13-H3C(O)CH3
  868977.9844  0.0365 -4.3947 3  985.5683984  595161404613229 1    603328 1      C-13-H3C(O)CH3
  868986.3297  0.0401 -4.3946 3  985.5696984  595161404613229 2    603328 2      C-13-H3C(O)CH3
  869008.7208  0.0533 -4.4569 3 1238.6013C40  595161404771562 0    761661 0      C-13-H3C(O)CH3
  869008.7208  0.0533 -4.4569 3 1238.6013C40  595161404771662 0    761561 0      C-13-H3C(O)CH3
  869030.3622  0.0404 -4.6959 3  985.5783492  595161404613229 3    603328 3      C-13-H3C(O)CH3
  869030.6919  0.0403 -4.6959 3  985.5783492  595161404613229 4    603328 4      C-13-H3C(O)CH3
  869044.1351  0.0528 -4.4596 3 1238.6065C40  595161404771662 1    761661 1      C-13-H3C(O)CH3
  869044.1351  0.0528 -4.4609 3 1238.6065C40  595161404771562 1    761561 1      C-13-H3C(O)CH3
  869044.1351  0.0528 -5.3266 3 1238.6065C40  595161404771662 1    761561 1      C-13-H3C(O)CH3
  869044.6519  0.0535 -4.4622 3 1238.6065C40  595161404771662 2    761661 2      C-13-H3C(O)CH3
  869044.6519  0.0535 -5.3489 3 1238.6065C40  595161404771562 2    761661 2      C-13-H3C(O)CH3
  869044.6519  0.0535 -4.5116 3 1238.6065C40  595161404771562 2    761561 2      C-13-H3C(O)CH3
  869080.1005  0.0530 -5.8762 3 1238.6116620  595161404771562 3    761661 3      C-13-H3C(O)CH3
  869080.1005  0.0530 -4.7877 3 1238.6116620  595161404771562 3    761561 3      C-13-H3C(O)CH3
  869080.1005  0.0530 -5.8762 3 1238.6116620  595161404771662 3    761561 3      C-13-H3C(O)CH3
  869080.1005  0.0530 -4.7877 3 1238.6116620  595161404771662 3    761661 3      C-13-H3C(O)CH3
  869080.1573  0.0530 -5.2138 3 1238.6116620  595161404771662 4    761661 4      C-13-H3C(O)CH3
  869080.1573  0.0530 -5.2803 3 1238.6116620  595161404771562 4    761661 4      C-13-H3C(O)CH3
  869080.1573  0.0530 -4.9069 3 1238.6116620  595161404771562 4    761561 4      C-13-H3C(O)CH3
  869080.1573  0.0530 -4.9385 3 1238.6116620  595161404771662 4    761561 4      C-13-H3C(O)CH3
  869155.7045  0.0358 -4.3942 3  985.5540984  595161404613329 0    603228 0      C-13-H3C(O)CH3
  869216.2775  0.0356 -4.3944 3  985.5622984  595161404613329 1    603228 1      C-13-H3C(O)CH3
  869220.8110  0.0368 -4.3943 3  985.5636984  595161404613329 2    603228 2      C-13-H3C(O)CH3
  869281.8663  0.0362 -4.6956 3  985.5719492  595161404613329 4    603228 4      C-13-H3C(O)CH3
  869281.9666  0.0361 -4.6956 3  985.5719492  595161404613329 3    603228 3      C-13-H3C(O)CH3
  869292.8139  0.0142 -4.7520 3  655.5311792  595161404493217 1    483117 1      C-13-H3C(O)CH3
  869396.4698  0.0205 -4.5212 3  655.5361792 -595161404493217 2    483117 2      C-13-H3C(O)CH3
  869422.7852  0.0420 -4.0370 3  705.2062824  595161404513220 1    503119 1      C-13-H3C(O)CH3
  869425.3737  0.0621 -4.4139 3 1139.3799B12  595161404692445 0    682444 0      C-13-H3C(O)CH3
  869425.3737  0.0621 -4.4139 3 1139.3799B12  595161404692545 0    682544 0      C-13-H3C(O)CH3
  869450.6125  0.0628 -4.4789 3 1139.3957B12  595161404692545 1    682444 1      C-13-H3C(O)CH3
  869450.6125  0.0628 -5.2709 3 1139.3957B12  595161404692545 1    682544 1      C-13-H3C(O)CH3
  869450.6125  0.0628 -4.4789 3 1139.3957B12  595161404692445 1    682544 1      C-13-H3C(O)CH3
  869450.6125  0.0628 -5.2709 3 1139.3957B12  595161404692445 1    682444 1      C-13-H3C(O)CH3
  869452.6400  0.0640 -4.6551 3 1139.3967B12  595161404692445 2    682444 2      C-13-H3C(O)CH3
  869452.6400  0.0640 -4.6551 3 1139.3967B12  595161404692545 2    682544 2      C-13-H3C(O)CH3
  869452.6400  0.0640 -4.7844 3 1139.3967B12  595161404692545 2    682444 2      C-13-H3C(O)CH3
  869452.6400  0.0640 -4.7844 3 1139.3967B12  595161404692445 2    682544 2      C-13-H3C(O)CH3
  869477.4534  0.0134 -5.8499 3  655.5334396  595161404493217 3    483117 3      C-13-H3C(O)CH3
  869477.9126  0.0571 -5.3026 3 1139.4125556  595161404692545 3    682444 3      C-13-H3C(O)CH3
  869477.9126  0.0571 -4.8448 3 1139.4125556  595161404692545 3    682544 3      C-13-H3C(O)CH3
  869477.9126  0.0571 -4.8448 3 1139.4125556  595161404692445 3    682444 3      C-13-H3C(O)CH3
  869477.9126  0.0571 -5.3026 3 1139.4125556  595161404692445 3    682544 3      C-13-H3C(O)CH3
  869477.9604  0.0572 -4.8815 3 1139.4125556  595161404692445 4    682544 4      C-13-H3C(O)CH3
  869477.9604  0.0572 -4.8815 3 1139.4125556  595161404692545 4    682444 4      C-13-H3C(O)CH3
  869477.9604  0.0572 -5.2119 3 1139.4125556  595161404692445 4    682444 4      C-13-H3C(O)CH3
  869477.9604  0.0572 -5.2119 3 1139.4125556  595161404692545 4    682544 4      C-13-H3C(O)CH3
  869592.3115  0.0671 -4.0371 3  705.2010824  595161404513220 2    503119 2      C-13-H3C(O)CH3
  869720.0986  0.0271 -4.4963 3  655.5460396  595161404493217 4    483117 4      C-13-H3C(O)CH3
  869939.5442  0.0500 -4.3414 3  705.1920412  595161404513220 4    503119 4      C-13-H3C(O)CH3
  870022.7837  0.0415 -4.4489 3 1293.6123D68  59516140485 779 0    84 678 0      C-13-H3C(O)CH3
  870022.7837  0.0415 -4.4489 3 1293.6123D68  59516140485 679 0    84 778 0      C-13-H3C(O)CH3
  870029.1266  0.0653 -4.4971 3 1293.5805D68  59516140485 779 1    84 678 1      C-13-H3C(O)CH3
  870029.1266  0.0653 -5.3914 3 1293.5805D68  59516140485 679 1    84 678 1      C-13-H3C(O)CH3
  870029.1266  0.0653 -4.4971 3 1293.5805D68  59516140485 679 1    84 778 1      C-13-H3C(O)CH3
  870029.1266  0.0653 -5.3914 3 1293.5805D68  59516140485 779 1    84 778 1      C-13-H3C(O)CH3
  870029.2131  0.0633 -5.2957 3 1293.5804D68  59516140485 779 2    84 778 2      C-13-H3C(O)CH3
  870029.2131  0.0633 -5.2957 3 1293.5804D68  59516140485 679 2    84 678 2      C-13-H3C(O)CH3
  870029.2131  0.0633 -4.5110 3 1293.5804D68  59516140485 679 2    84 778 2      C-13-H3C(O)CH3
  870029.2131  0.0633 -4.5110 3 1293.5804D68  59516140485 779 2    84 678 2      C-13-H3C(O)CH3
  870035.5478  0.0359 -5.1814 3 1293.5486684  59516140485 679 4    84 678 4      C-13-H3C(O)CH3
  870035.5478  0.0359 -4.9445 3 1293.5486684  59516140485 679 4    84 778 4      C-13-H3C(O)CH3
  870035.5478  0.0359 -5.1814 3 1293.5486684  59516140485 779 4    84 778 4      C-13-H3C(O)CH3
  870035.5478  0.0359 -4.9445 3 1293.5486684  59516140485 779 4    84 678 4      C-13-H3C(O)CH3
  870035.5660  0.0359 -5.2220 3 1293.5486684  59516140485 779 3    84 678 3      C-13-H3C(O)CH3
  870035.5660  0.0359 -4.9226 3 1293.5486684  59516140485 779 3    84 778 3      C-13-H3C(O)CH3
  870035.5660  0.0359 -4.9226 3 1293.5486684  59516140485 679 3    84 678 3      C-13-H3C(O)CH3
  870035.5660  0.0359 -5.2220 3 1293.5486684  59516140485 679 3    84 778 3      C-13-H3C(O)CH3
  870122.9911  0.0498 -4.5257 3 1250.0787C56  595161404781564 0    771563 0      C-13-H3C(O)CH3
  870122.9911  0.0498 -4.5257 3 1250.0787C56  595161404781464 0    771463 0      C-13-H3C(O)CH3
  870122.9911  0.0498 -5.3093 3 1250.0787C56  595161404781564 0    771463 0      C-13-H3C(O)CH3
  870122.9911  0.0498 -5.3093 3 1250.0787C56  595161404781464 0    771563 0      C-13-H3C(O)CH3
  870127.6291  0.0707 -4.3340 3  705.1897412  595161404513220 3    503119 3      C-13-H3C(O)CH3
  870142.5005  0.0054 -3.3740 3  618.1787728 -5951614044540 6 0    4439 6 0      C-13-H3C(O)CH3
  870142.5005  0.0054 -3.3740 3  618.1787728 -5951614044540 5 0    4439 5 0      C-13-H3C(O)CH3
  870158.8475  0.0505 -4.4596 3 1250.0811C56  595161404781464 1    771563 1      C-13-H3C(O)CH3
  870158.8475  0.0505 -4.4596 3 1250.0811C56  595161404781564 1    771463 1      C-13-H3C(O)CH3
  870159.1505  0.0506 -4.4597 3 1250.0811C56  595161404781464 2    771463 2      C-13-H3C(O)CH3
  870159.1505  0.0506 -4.4597 3 1250.0811C56  595161404781564 2    771563 2      C-13-H3C(O)CH3
  870195.0397  0.0515 -4.7617 3 1250.0835628  595161404781564 3    771563 3      C-13-H3C(O)CH3
  870195.0397  0.0515 -4.7617 3 1250.0835628  595161404781464 3    771463 3      C-13-H3C(O)CH3
  870195.0956  0.0515 -4.8011 3 1250.0835628  595161404781564 4    771463 4      C-13-H3C(O)CH3
  870195.0956  0.0515 -5.8101 3 1250.0835628  595161404781564 4    771563 4      C-13-H3C(O)CH3
  870195.0956  0.0515 -5.8101 3 1250.0835628  595161404781464 4    771463 4      C-13-H3C(O)CH3
  870195.0956  0.0515 -4.8011 3 1250.0835628  595161404781464 4    771563 4      C-13-H3C(O)CH3
  870228.6234  0.0063 -3.3740 3  618.1883728 -5951614044540 5 2    4439 5 2      C-13-H3C(O)CH3
  870246.0894  0.0060 -3.3740 3  618.1607728 -5951614044540 6 2    4439 6 2      C-13-H3C(O)CH3
  870272.8885  0.0061 -3.3739 3  618.2044728 -5951614044540 5 1    4439 5 1      C-13-H3C(O)CH3
  870292.9592  0.0643 -5.8170 3 1155.8503B28  595161404702447 0    692446 0      C-13-H3C(O)CH3
  870292.9592  0.0643 -4.4415 3 1155.8503B28  595161404702447 0    692346 0      C-13-H3C(O)CH3
  870292.9592  0.0643 -4.4415 3 1155.8503B28  595161404702347 0    692446 0      C-13-H3C(O)CH3
  870292.9592  0.0643 -5.8170 3 1155.8503B28  595161404702347 0    692346 0      C-13-H3C(O)CH3
  870317.4024  0.0059 -3.3739 3  618.1570728 -5951614044540 6 1    4439 6 1      C-13-H3C(O)CH3
  870318.6489  0.0651 -4.4237 3 1155.8659B28  595161404702347 1    692346 1      C-13-H3C(O)CH3
  870318.6489  0.0651 -4.4237 3 1155.8659B28  595161404702447 1    692446 1      C-13-H3C(O)CH3
  870320.6172  0.0661 -4.5729 3 1155.8669B28  595161404702347 2    692446 2      C-13-H3C(O)CH3
  870320.6172  0.0661 -5.1817 3 1155.8669B28  595161404702347 2    692346 2      C-13-H3C(O)CH3
  870320.6172  0.0661 -4.9600 3 1155.8669B28  595161404702447 2    692446 2      C-13-H3C(O)CH3
  870320.6172  0.0661 -4.5070 3 1155.8669B28  595161404702447 2    692346 2      C-13-H3C(O)CH3
  870329.3255  0.0075 -4.4711 3  313.6760300  595161404371324 4    361225 4      C-13-H3C(O)CH3
  870329.3256  0.0075 -4.4711 3  313.6760300  595161404371424 4    361125 4      C-13-H3C(O)CH3
  870329.7507  0.0071 -4.4711 3  313.6760300  595161404371324 3    361225 3      C-13-H3C(O)CH3
  870329.7508  0.0071 -4.4711 3  313.6760300  595161404371424 3    361125 3      C-13-H3C(O)CH3
  870346.3405  0.0585 -4.7251 3 1155.8825564  595161404702447 3    692446 3      C-13-H3C(O)CH3
  870346.3405  0.0585 -4.7251 3 1155.8825564  595161404702347 3    692346 3      C-13-H3C(O)CH3
  870346.3890  0.0585 -5.4819 3 1155.8826564  595161404702347 4    692346 4      C-13-H3C(O)CH3
  870346.3890  0.0585 -5.4819 3 1155.8826564  595161404702447 4    692446 4      C-13-H3C(O)CH3
  870346.3890  0.0585 -4.8082 3 1155.8826564  595161404702447 4    692346 4      C-13-H3C(O)CH3
  870346.3890  0.0585 -4.8082 3 1155.8826564  595161404702347 4    692446 4      C-13-H3C(O)CH3
  870358.4636  0.0092 -3.6749 3  618.2139364  5951614044540 5 4    4439 5 4      C-13-H3C(O)CH3
  870375.7913  0.0085 -3.6749 3  618.1864364  5951614044540 5 3    4439 5 3      C-13-H3C(O)CH3
  870378.9462  0.0062 -4.0404 3  378.1156632  595161404391821 0    381722 0      C-13-H3C(O)CH3
  870381.0789  0.0062 -4.0404 3  378.1156632  595161404391921 0    381622 0      C-13-H3C(O)CH3
  870386.8798  0.0074 -4.0402 3  378.0868632  595161404391821 2    381722 2      C-13-H3C(O)CH3
  870389.1536  0.0074 -4.0402 3  378.0868632  595161404391921 2    381622 2      C-13-H3C(O)CH3
  870402.7298  0.0087 -3.6748 3  618.1666364  5951614044540 6 3    4439 6 3      C-13-H3C(O)CH3
  870404.9044  0.0069 -4.0402 3  378.0892632  595161404391821 1    381722 1      C-13-H3C(O)CH3
  870407.0902  0.0069 -4.0402 3  378.0892632  595161404391921 1    381622 1      C-13-H3C(O)CH3
  870412.8346  0.0082 -4.3410 3  378.0603316  595161404391821 4    381722 4      C-13-H3C(O)CH3
  870412.9429  0.0081 -4.3410 3  378.0604316  595161404391821 3    381722 3      C-13-H3C(O)CH3
  870413.6671  0.0648 -4.7330 3  963.0405484  595161404603327 3    593426 3      C-13-H3C(O)CH3
  870415.0125  0.0536 -4.4314 3  963.0333968  595161404603327 1    593426 1      C-13-H3C(O)CH3
  870415.1569  0.0082 -4.3410 3  378.0603316  595161404391921 4    381622 4      C-13-H3C(O)CH3
  870415.2742  0.0081 -4.3410 3  378.0604316  595161404391921 3    381622 3      C-13-H3C(O)CH3
  870416.3790  0.0633 -4.7330 3  963.0404484  595161404603327 4    593426 4      C-13-H3C(O)CH3
  870420.6972  0.0088 -3.6749 3  618.1390364  5951614044540 6 4    4439 6 4      C-13-H3C(O)CH3
  870431.8684  0.0069 -4.1702 3  313.6980600  595161404371324 2    361225 2      C-13-H3C(O)CH3
  870431.8685  0.0069 -4.1702 3  313.6980600  595161404371424 2    361125 2      C-13-H3C(O)CH3
  870437.4231  0.0542 -4.4308 3  963.0271968  595161404603327 0    593426 0      C-13-H3C(O)CH3
  870439.8301  0.0685 -4.4313 3  963.0342968  595161404603327 2    593426 2      C-13-H3C(O)CH3
  870441.9984  0.0070 -4.1702 3  313.6994600  595161404371424 1    361125 1      C-13-H3C(O)CH3
  870441.9984  0.0070 -4.1702 3  313.6994600  595161404371324 1    361225 1      C-13-H3C(O)CH3
  870543.9642  0.0062 -4.1701 3  313.7214600  595161404371324 0    361225 0      C-13-H3C(O)CH3
  870543.9642  0.0062 -4.1701 3  313.7214600  595161404371424 0    361125 0      C-13-H3C(O)CH3
  870984.2991  0.0216 -5.4354 3  331.6471284  595161404352511 4    342213 4      C-13-H3C(O)CH3
  871024.1759  0.0124 -5.9216 3  331.6688568  595161404352511 1    342213 1      C-13-H3C(O)CH3
  871030.8312  0.0226 -5.4340 3  331.6470284  595161404352511 3    342213 3      C-13-H3C(O)CH3
  871106.8415  0.0135 -4.8122 3  331.6688568  595161404352510 1    342213 1      C-13-H3C(O)CH3
  871204.6248  0.0186 -5.1329 3  331.6690568  595161404352511 2    342213 2      C-13-H3C(O)CH3
  871212.0936  0.0661 -4.4920 3 1171.7537B44  595161404712249 0    702248 0      C-13-H3C(O)CH3
  871212.0936  0.0661 -5.3329 3 1171.7537B44  595161404712249 0    702348 0      C-13-H3C(O)CH3
  871212.0936  0.0661 -4.4920 3 1171.7537B44  595161404712349 0    702348 0      C-13-H3C(O)CH3
  871212.0936  0.0661 -5.3329 3 1171.7537B44  595161404712349 0    702248 0      C-13-H3C(O)CH3
  871228.0367  0.0198 -4.1139 3  469.5447680  595161404422617 0    412318 0      C-13-H3C(O)CH3
  871238.5208  0.0668 -4.5498 3 1171.7690B44  595161404712349 1    702348 1      C-13-H3C(O)CH3
  871238.5208  0.0668 -5.0626 3 1171.7690B44  595161404712349 1    702248 1      C-13-H3C(O)CH3
  871238.5208  0.0668 -4.5498 3 1171.7690B44  595161404712249 1    702248 1      C-13-H3C(O)CH3
  871238.5208  0.0668 -5.0626 3 1171.7690B44  595161404712249 1    702348 1      C-13-H3C(O)CH3
  871240.4095  0.0678 -4.6864 3 1171.7698B44  595161404712249 2    702248 2      C-13-H3C(O)CH3
  871240.4095  0.0678 -4.6864 3 1171.7698B44  595161404712349 2    702348 2      C-13-H3C(O)CH3
  871240.4095  0.0678 -4.7887 3 1171.7698B44  595161404712249 2    702348 2      C-13-H3C(O)CH3
  871240.4095  0.0678 -4.7887 3 1171.7698B44  595161404712349 2    702248 2      C-13-H3C(O)CH3
  871250.7660  0.0315 -4.7958 3 1300.1780692  59516140486 681 4    85 680 4      C-13-H3C(O)CH3
  871250.7660  0.0315 -4.7958 3 1300.1780692  59516140486 581 4    85 580 4      C-13-H3C(O)CH3
  871250.7660  0.0315 -5.7137 3 1300.1780692  59516140486 681 4    85 580 4      C-13-H3C(O)CH3
  871250.7660  0.0315 -5.7137 3 1300.1780692  59516140486 581 4    85 680 4      C-13-H3C(O)CH3
  871250.7994  0.0315 -5.2975 3 1300.1780692  59516140486 581 3    85 580 3      C-13-H3C(O)CH3
  871250.7994  0.0315 -4.8896 3 1300.1780692  59516140486 681 3    85 580 3      C-13-H3C(O)CH3
  871250.7994  0.0315 -5.2975 3 1300.1780692  59516140486 681 3    85 680 3      C-13-H3C(O)CH3
  871250.7994  0.0315 -4.8896 3 1300.1780692  59516140486 581 3    85 680 3      C-13-H3C(O)CH3
  871251.9527  0.0465 -4.4744 3 1261.0180C72  595161404791466 0    781365 0      C-13-H3C(O)CH3
  871251.9527  0.0465 -4.4744 3 1261.0180C72  595161404791366 0    781465 0      C-13-H3C(O)CH3
  871253.1902  0.0565 -4.4544 3 1300.2116D84  59516140486 581 1    85 580 1      C-13-H3C(O)CH3
  871253.1902  0.0565 -4.4544 3 1300.2116D84  59516140486 681 1    85 680 1      C-13-H3C(O)CH3
  871253.3376  0.0555 -4.4501 3 1300.2115D84  59516140486 681 2    85 580 2      C-13-H3C(O)CH3
  871253.3376  0.0555 -4.4501 3 1300.2115D84  59516140486 581 2    85 680 2      C-13-H3C(O)CH3
  871255.7384  0.0370 -4.4474 3 1300.2450D84  59516140486 581 0    85 580 0      C-13-H3C(O)CH3
  871255.7384  0.0370 -4.4473 3 1300.2450D84  59516140486 681 0    85 680 0      C-13-H3C(O)CH3
  871266.8705  0.0595 -6.0225 3 1171.7852572  595161404712349 3    702348 3      C-13-H3C(O)CH3
  871266.8705  0.0595 -4.7576 3 1171.7852572  595161404712349 3    702248 3      C-13-H3C(O)CH3
  871266.8705  0.0595 -6.0225 3 1171.7852572  595161404712249 3    702248 3      C-13-H3C(O)CH3
  871266.8705  0.0595 -4.7576 3 1171.7852572  595161404712249 3    702348 3      C-13-H3C(O)CH3
  871266.9199  0.0595 -5.2167 3 1171.7852572  595161404712349 4    702348 4      C-13-H3C(O)CH3
  871266.9199  0.0595 -4.7914 3 1171.7852572  595161404712349 4    702248 4      C-13-H3C(O)CH3
  871266.9199  0.0595 -5.6461 3 1171.7852572  595161404712249 4    702248 4      C-13-H3C(O)CH3
  871266.9199  0.0595 -4.9082 3 1171.7852572  595161404712249 4    702348 4      C-13-H3C(O)CH3
  871287.7553  0.0496 -4.5509 3 1261.0172C72  595161404791466 1    781365 1      C-13-H3C(O)CH3
  871287.7553  0.0496 -5.2153 3 1261.0172C72  595161404791466 1    781465 1      C-13-H3C(O)CH3
  871287.7553  0.0496 -5.2153 3 1261.0172C72  595161404791366 1    781365 1      C-13-H3C(O)CH3
  871287.7553  0.0496 -4.5509 3 1261.0172C72  595161404791366 1    781465 1      C-13-H3C(O)CH3
  871287.8674  0.0488 -4.6840 3 1261.0171C72  595161404791466 2    781365 2      C-13-H3C(O)CH3
  871287.8674  0.0488 -4.8692 3 1261.0171C72  595161404791366 2    781365 2      C-13-H3C(O)CH3
  871287.8674  0.0488 -4.8692 3 1261.0171C72  595161404791466 2    781465 2      C-13-H3C(O)CH3
  871287.8674  0.0488 -4.6840 3 1261.0171C72  595161404791366 2    781465 2      C-13-H3C(O)CH3
  871295.4393  0.0122 -4.7815 3  331.6905568  595161404352510 0    342213 0      C-13-H3C(O)CH3
  871323.7006  0.0500 -5.6266 3 1261.0163636  595161404791466 3    781365 3      C-13-H3C(O)CH3
  871323.7006  0.0500 -4.8313 3 1261.0163636  595161404791466 3    781465 3      C-13-H3C(O)CH3
  871323.7006  0.0500 -4.8313 3 1261.0163636  595161404791366 3    781365 3      C-13-H3C(O)CH3
  871323.7006  0.0500 -5.6266 3 1261.0163636  595161404791366 3    781465 3      C-13-H3C(O)CH3
  871323.7546  0.0500 -5.4416 3 1261.0163636  595161404791366 4    781465 4      C-13-H3C(O)CH3
  871323.7546  0.0500 -4.8699 3 1261.0163636  595161404791366 4    781365 4      C-13-H3C(O)CH3
  871323.7546  0.0500 -5.4416 3 1261.0163636  595161404791466 4    781365 4      C-13-H3C(O)CH3
  871323.7546  0.0500 -4.8699 3 1261.0163636  595161404791466 4    781465 4      C-13-H3C(O)CH3
  871412.9991  0.0181 -4.1141 3  469.5226680  595161404422617 1    412318 1      C-13-H3C(O)CH3
  871417.1598  0.0254 -5.3350 3  331.6470284  595161404352510 3    342213 3      C-13-H3C(O)CH3
  871455.5655  0.0278 -5.3338 3  331.6471284  595161404352510 4    342213 4      C-13-H3C(O)CH3
  871529.1239  0.0115 -4.7495 3  655.3669792  595161404493218 1    483118 1      C-13-H3C(O)CH3
  871533.3301  0.0141 -4.5185 3  655.3688792  595161404493218 2    483118 2      C-13-H3C(O)CH3
  871541.9545  0.0180 -4.4939 3  655.3637396  595161404493218 4    483118 4      C-13-H3C(O)CH3
  871627.0029  0.0195 -4.1155 3  469.5129680  595161404422617 2    412318 2      C-13-H3C(O)CH3
  871634.6463  0.0230 -5.0375 3  331.6690568  595161404352510 2    342213 2      C-13-H3C(O)CH3
  871673.4633  0.0253 -3.9193 3  679.9535808 -595161404503219 0    493118 0      C-13-H3C(O)CH3
  871682.1826  0.8059 -5.8407 3 1381.5412B44  595161404714427 1    704526 1      C-13-H3C(O)CH3
  871756.0733  0.0054 -3.4412 3  624.4285744 -5951614044638 8 0    4537 9 0      C-13-H3C(O)CH3
  871756.0733  0.0054 -3.4412 3  624.4285744 -5951614044638 9 0    4537 8 0      C-13-H3C(O)CH3
  871783.8356  0.0103 -5.8467 3  655.3764396  595161404493218 3    483118 3      C-13-H3C(O)CH3
  871793.1224  0.0156 -4.4168 3  469.4908340  595161404422617 4    412318 4      C-13-H3C(O)CH3
  871800.6836  0.0062 -3.4413 3  624.4457744 -5951614044638 8 2    4537 8 2      C-13-H3C(O)CH3
  871826.7856  0.0173 -4.4166 3  469.4907340  595161404422617 3    412318 3      C-13-H3C(O)CH3
  871857.1162  0.0061 -3.4412 3  624.4282744 -5951614044638 9 2    4537 9 2      C-13-H3C(O)CH3
  871861.1328  0.0062 -3.4411 3  624.4464744 -5951614044638 8 1    4537 8 1      C-13-H3C(O)CH3
  871895.6997  0.0060 -3.4411 3  624.4126744 -5951614044638 9 1    4537 9 1      C-13-H3C(O)CH3
  871902.0275  0.0196 -3.9260 3  679.9513808  595161404503219 1    493118 1      C-13-H3C(O)CH3
  871905.1814  0.0091 -3.7423 3  624.4634372  5951614044638 8 4    4537 8 4      C-13-H3C(O)CH3
  871940.1147  0.0084 -3.7423 3  624.4298372  5951614044638 9 3    4537 9 3      C-13-H3C(O)CH3
  871961.9356  0.0083 -3.7422 3  624.4461372  5951614044638 8 3    4537 8 3      C-13-H3C(O)CH3
  871963.2974  0.0953 -4.4137 3  933.9416952  595161404593426 0    583325 0      C-13-H3C(O)CH3
  871968.3037  0.0250 -3.9317 3  679.9508808  595161404503219 2    493118 2      C-13-H3C(O)CH3
  871971.2114  0.0296 -4.2604 3  679.9514404  595161404503219 4    493118 4      C-13-H3C(O)CH3
  871990.4238  1.1015 -5.8390 3 1381.5310B44  595161404714427 2    704526 2      C-13-H3C(O)CH3
  871997.1440  0.0083 -3.7422 3  624.4122372  5951614044638 9 4    4537 9 4      C-13-H3C(O)CH3
  872056.4069  0.0130 -4.0175 3  436.2449664  595161404412219 2    402120 2      C-13-H3C(O)CH3
  872063.5280  0.0085 -4.0177 3  436.2725664  595161404412219 0    402120 0      C-13-H3C(O)CH3
  872108.2645  0.0140 -4.3182 3  436.2211332  595161404412219 3    402120 3      C-13-H3C(O)CH3
  872109.6815  0.0140 -4.3182 3  436.2211332  595161404412219 4    402120 4      C-13-H3C(O)CH3
  872115.6258  0.0088 -4.0174 3  436.2488664  595161404412219 1    402120 1      C-13-H3C(O)CH3
  872172.4961  0.0672 -4.5261 3 1187.0959B60  595161404722151 0    712150 0      C-13-H3C(O)CH3
  872172.4961  0.0672 -5.2044 3 1187.0959B60  595161404722151 0    712250 0      C-13-H3C(O)CH3
  872172.4961  0.0672 -5.2044 3 1187.0959B60  595161404722251 0    712150 0      C-13-H3C(O)CH3
  872172.4961  0.0672 -4.5261 3 1187.0959B60  595161404722251 0    712250 0      C-13-H3C(O)CH3
  872199.8952  0.0678 -4.9104 3 1187.1108B60  595161404722151 1    712250 1      C-13-H3C(O)CH3
  872199.8952  0.0678 -4.6246 3 1187.1108B60  595161404722151 1    712150 1      C-13-H3C(O)CH3
  872199.8952  0.0678 -4.6246 3 1187.1108B60  595161404722251 1    712250 1      C-13-H3C(O)CH3
  872199.8952  0.0678 -4.9104 3 1187.1108B60  595161404722251 1    712150 1      C-13-H3C(O)CH3
  872201.6774  0.0688 -4.4454 3 1187.1115B60  595161404722151 2    712250 2      C-13-H3C(O)CH3
  872201.6774  0.0688 -4.4454 3 1187.1115B60  595161404722251 2    712150 2      C-13-H3C(O)CH3
  872229.1106  0.0602 -4.7478 3 1187.1264580  595161404722251 3    712150 3      C-13-H3C(O)CH3
  872229.1106  0.0602 -4.7478 3 1187.1264580  595161404722151 3    712250 3      C-13-H3C(O)CH3
  872229.1611  0.0602 -4.9975 3 1187.1264580  595161404722251 4    712150 4      C-13-H3C(O)CH3
  872229.1611  0.0602 -4.9975 3 1187.1264580  595161404722151 4    712250 4      C-13-H3C(O)CH3
  872229.1611  0.0602 -5.0995 3 1187.1264580  595161404722151 4    712150 4      C-13-H3C(O)CH3
  872229.1611  0.0602 -5.0995 3 1187.1264580  595161404722251 4    712250 4      C-13-H3C(O)CH3
  872297.4094  0.0811 -4.4140 3  933.9366952  595161404593426 1    583325 1      C-13-H3C(O)CH3
  872298.0244  0.1050 -4.4141 3  933.9375952  595161404593426 2    583325 2      C-13-H3C(O)CH3
  872394.9607  0.0438 -4.4728 3 1271.4207C88  595161404801368 0    791267 0      C-13-H3C(O)CH3
  872394.9607  0.0438 -4.4728 3 1271.4207C88  595161404801268 0    791367 0      C-13-H3C(O)CH3
  872419.9942  0.0330 -4.2179 3  679.9461404  595161404503219 3    493118 3      C-13-H3C(O)CH3
  872430.0029  0.0490 -5.7060 3 1271.4161C88  595161404801368 2    791267 2      C-13-H3C(O)CH3
  872430.0029  0.0490 -4.4975 3 1271.4161C88  595161404801368 2    791367 2      C-13-H3C(O)CH3
  872430.0029  0.0490 -5.7060 3 1271.4161C88  595161404801268 2    791367 2      C-13-H3C(O)CH3
  872430.0029  0.0490 -4.4975 3 1271.4161C88  595161404801268 2    791267 2      C-13-H3C(O)CH3
  872430.0454  0.0509 -4.4716 3 1271.4162C88  595161404801368 1    791367 1      C-13-H3C(O)CH3
  872430.0454  0.0509 -4.4716 3 1271.4162C88  595161404801268 1    791267 1      C-13-H3C(O)CH3
  872446.2954  0.8258 -5.8388 3 1381.5042B44  595161404714427 0    704526 0      C-13-H3C(O)CH3
  872465.1153  0.0485 -4.8672 3 1271.4116644  595161404801268 3    791267 3      C-13-H3C(O)CH3
  872465.1153  0.0485 -5.4801 3 1271.4116644  595161404801268 3    791367 3      C-13-H3C(O)CH3
  872465.1153  0.0485 -5.4801 3 1271.4116644  595161404801368 3    791267 3      C-13-H3C(O)CH3
  872465.1153  0.0485 -4.8672 3 1271.4116644  595161404801368 3    791367 3      C-13-H3C(O)CH3
  872465.1660  0.0485 -4.8757 3 1271.4115644  595161404801368 4    791267 4      C-13-H3C(O)CH3
  872465.1660  0.0485 -5.4467 3 1271.4115644  595161404801268 4    791267 4      C-13-H3C(O)CH3
  872465.1660  0.0485 -4.8757 3 1271.4115644  595161404801268 4    791367 4      C-13-H3C(O)CH3
  872465.1660  0.0485 -5.4467 3 1271.4115644  595161404801368 4    791367 4      C-13-H3C(O)CH3
  872477.7002  0.0257 -5.9449 3 1306.2809700  59516140487 583 4    86 482 4      C-13-H3C(O)CH3
  872477.7002  0.0257 -4.7742 3 1306.2809700  59516140487 583 4    86 582 4      C-13-H3C(O)CH3
  872477.7002  0.0257 -5.9449 3 1306.2809700  59516140487 483 4    86 582 4      C-13-H3C(O)CH3
  872477.7002  0.0257 -4.7742 3 1306.2809700  59516140487 483 4    86 482 4      C-13-H3C(O)CH3
  872477.7415  0.0257 -4.7602 3 1306.2809700  59516140487 583 3    86 582 3      C-13-H3C(O)CH3
  872477.7415  0.0257 -4.7602 3 1306.2809700  59516140487 483 3    86 482 3      C-13-H3C(O)CH3
  872487.7774  0.0422 -4.5617 3 1306.3130E00 -59516140487 483 1    86 482 1      C-13-H3C(O)CH3
  872487.7774  0.0422 -5.0721 3 1306.3130E00 -59516140487 583 1    86 482 1      C-13-H3C(O)CH3
  872487.7774  0.0424 -4.4480 3 1306.3128E00 -59516140487 583 2    86 482 2      C-13-H3C(O)CH3
  872489.1574  0.0422 -4.5617 3 1306.3130E00  59516140487 583 1    86 582 1      C-13-H3C(O)CH3
  872489.1574  0.0422 -5.0721 3 1306.3130E00  59516140487 483 1    86 582 1      C-13-H3C(O)CH3
  872489.2901  0.0424 -4.4480 3 1306.3128E00  59516140487 483 2    86 582 2      C-13-H3C(O)CH3
  872500.7139  0.0292 -5.0902 3 1306.3449E00  59516140487 483 0    86 582 0      C-13-H3C(O)CH3
  872500.7139  0.0292 -4.5563 3 1306.3449E00  59516140487 583 0    86 582 0      C-13-H3C(O)CH3
  872500.7139  0.0292 -5.0902 3 1306.3449E00  59516140487 583 0    86 482 0      C-13-H3C(O)CH3
  872500.7139  0.0292 -4.5563 3 1306.3449E00  59516140487 483 0    86 482 0      C-13-H3C(O)CH3
  872635.4934  0.0803 -4.7154 3  933.9324476  595161404593426 4    583325 4      C-13-H3C(O)CH3
  872640.3260  0.0828 -4.7154 3  933.9323476  595161404593426 3    583325 3      C-13-H3C(O)CH3
  872895.1102  0.0052 -3.5247 3  632.5017760 -595161404473612 0    463511 0      C-13-H3C(O)CH3
  872895.1102  0.0052 -3.5247 3  632.5017760 -595161404473611 0    463512 0      C-13-H3C(O)CH3
  872935.0748  0.0059 -3.5249 3  632.5330760 -595161404473611 2    463511 2      C-13-H3C(O)CH3
  872985.4680  0.0060 -3.5247 3  632.5210760 -595161404473611 1    463511 1      C-13-H3C(O)CH3
  873012.8266  0.0089 -4.8211 3  277.4339292  595161404361026 4    35 827 4      C-13-H3C(O)CH3
  873012.8266  0.0089 -4.8211 3  277.4339292  595161404361126 4    35 927 4      C-13-H3C(O)CH3
  873012.8266  0.0089 -5.0487 3  277.4339292  595161404361126 4    35 827 4      C-13-H3C(O)CH3
  873012.8266  0.0089 -5.0487 3  277.4339292  595161404361026 4    35 927 4      C-13-H3C(O)CH3
  873013.3648  0.0080 -4.8991 3  277.4339292  595161404361026 3    35 927 3      C-13-H3C(O)CH3
  873013.3648  0.0080 -4.9424 3  277.4339292  595161404361026 3    35 827 3      C-13-H3C(O)CH3
  873013.3648  0.0080 -4.8404 3  277.4339292  595161404361126 3    35 827 3      C-13-H3C(O)CH3
  873013.3648  0.0080 -5.0180 3  277.4339292  595161404361126 3    35 927 3      C-13-H3C(O)CH3
  873017.6189  0.0199 -5.8474 3  254.2183504  595161404312210 1    301713 1      C-13-H3C(O)CH3
  873020.1189  0.0064 -3.6362 3  642.6597776 -595161404483415 0    473314 0      C-13-H3C(O)CH3
  873025.4966  0.0083 -3.8260 3  632.5523380  595161404473611 4    463511 4      C-13-H3C(O)CH3
  873026.4933  0.0063 -3.5247 3  632.4936760 -595161404473612 1    463512 1      C-13-H3C(O)CH3
  873028.4689  0.0060 -3.5247 3  632.5106760 -595161404473612 2    463512 2      C-13-H3C(O)CH3
  873053.5052  0.0064 -3.6362 3  642.6589776  595161404483414 0    473315 0      C-13-H3C(O)CH3
  873055.2872  0.0070 -4.0205 3  407.1484648  595161404402020 0    391921 0      C-13-H3C(O)CH3
  873067.1329  0.0080 -3.8259 3  632.5249380  595161404473612 3    463512 3      C-13-H3C(O)CH3
  873080.0266  0.0089 -4.0203 3  407.1198648  595161404402020 2    391921 2      C-13-H3C(O)CH3
  873106.7133  0.0074 -4.0202 3  407.1229648  595161404402020 1    391921 1      C-13-H3C(O)CH3
  873118.0344  0.0067 -3.6364 3  642.7010776  595161404483414 2    473314 2      C-13-H3C(O)CH3
  873119.1355  0.0077 -3.8257 3  632.5299380  595161404473611 3    463511 3      C-13-H3C(O)CH3
  873121.5602  0.0070 -4.0204 3  407.1483648  595161404402120 0    391821 0      C-13-H3C(O)CH3
  873131.5984  0.0097 -4.3210 3  407.0943324  595161404402020 3    391921 3      C-13-H3C(O)CH3
  873131.7287  0.0097 -4.3210 3  407.0943324  595161404402020 4    391921 4      C-13-H3C(O)CH3
  873139.4424  0.0068 -3.6364 3  642.6840776  595161404483414 1    473314 1      C-13-H3C(O)CH3
  873149.5480  0.0088 -4.0202 3  407.1198648  595161404402120 2    391821 2      C-13-H3C(O)CH3
  873160.5484  0.0084 -3.8257 3  632.5023380  595161404473612 4    463512 4      C-13-H3C(O)CH3
  873166.6230  0.0676 -5.0126 3 1201.8819B76  595161404732053 0    722152 0      C-13-H3C(O)CH3
  873166.6230  0.0676 -4.5932 3 1201.8819B76  595161404732053 0    722052 0      C-13-H3C(O)CH3
  873166.6230  0.0676 -4.5932 3 1201.8819B76  595161404732153 0    722152 0      C-13-H3C(O)CH3
  873166.6230  0.0676 -5.0126 3 1201.8819B76  595161404732153 0    722052 0      C-13-H3C(O)CH3
  873174.1565  0.0074 -4.0202 3  407.1228648  595161404402120 1    391821 1      C-13-H3C(O)CH3
  873182.6201  0.0073 -3.6361 3  642.6532776 -595161404483415 1    473315 1      C-13-H3C(O)CH3
  873195.1769  0.0680 -4.4571 3 1201.8960B76  595161404732153 1    722152 1      C-13-H3C(O)CH3
  873195.1769  0.0680 -4.4571 3 1201.8960B76  595161404732053 1    722052 1      C-13-H3C(O)CH3
  873196.8219  0.0691 -4.5420 3 1201.8966B76  595161404732053 2    722052 2      C-13-H3C(O)CH3
  873196.8219  0.0691 -5.1856 3 1201.8966B76  595161404732053 2    722152 2      C-13-H3C(O)CH3
  873196.8219  0.0691 -4.5420 3 1201.8966B76  595161404732153 2    722152 2      C-13-H3C(O)CH3
  873196.8219  0.0691 -5.1856 3 1201.8966B76  595161404732153 2    722052 2      C-13-H3C(O)CH3
  873202.3262  0.0096 -4.3209 3  407.0942324  595161404402120 4    391821 4      C-13-H3C(O)CH3
  873202.3695  0.0096 -4.3209 3  407.0942324  595161404402120 3    391821 3      C-13-H3C(O)CH3
  873221.5037  0.0092 -3.9374 3  642.7256388  595161404483414 4    473314 4      C-13-H3C(O)CH3
  873221.9306  0.0071 -3.6358 3  642.6624776 -595161404483415 2    473315 2      C-13-H3C(O)CH3
  873225.4101  0.0605 -4.8290 3 1201.9108588  595161404732053 3    722052 3      C-13-H3C(O)CH3
  873225.4101  0.0605 -5.5548 3 1201.9108588  595161404732153 3    722052 3      C-13-H3C(O)CH3
  873225.4101  0.0605 -4.8290 3 1201.9108588  595161404732153 3    722152 3      C-13-H3C(O)CH3
  873225.4101  0.0605 -5.5548 3 1201.9108588  595161404732053 3    722152 3      C-13-H3C(O)CH3
  873225.4618  0.0605 -5.8838 3 1201.9108588  595161404732053 4    722152 4      C-13-H3C(O)CH3
  873225.4618  0.0605 -4.7877 3 1201.9108588  595161404732053 4    722052 4      C-13-H3C(O)CH3
  873225.4618  0.0605 -4.7877 3 1201.9108588  595161404732153 4    722152 4      C-13-H3C(O)CH3
  873225.4618  0.0605 -5.8838 3 1201.9108588  595161404732153 4    722052 4      C-13-H3C(O)CH3
  873247.4709  0.0074 -4.3196 3  277.4461584  595161404361026 2    35 927 2      C-13-H3C(O)CH3
  873247.4709  0.0074 -4.3196 3  277.4461584  595161404361126 2    35 827 2      C-13-H3C(O)CH3
  873255.1802  0.0076 -5.4807 3  277.4470584  595161404361026 1    35 927 1      C-13-H3C(O)CH3
  873255.1802  0.0076 -5.4807 3  277.4470584  595161404361126 1    35 827 1      C-13-H3C(O)CH3
  873255.1802  0.0076 -4.3488 3  277.4470584  595161404361126 1    35 927 1      C-13-H3C(O)CH3
  873255.1802  0.0076 -4.3488 3  277.4470584  595161404361026 1    35 827 1      C-13-H3C(O)CH3
  873264.1072  0.0095 -3.9398 3  642.6948388  595161404483414 3    473314 3      C-13-H3C(O)CH3
  873325.6920  0.0095 -3.9395 3  642.6870388  595161404483415 3    473315 3      C-13-H3C(O)CH3
  873368.0912  0.0100 -3.9366 3  642.6562388  595161404483415 4    473315 4      C-13-H3C(O)CH3
  873416.1913  0.0082 -4.0169 3  436.2703664  595161404412319 0    402020 0      C-13-H3C(O)CH3
  873457.1281  0.0107 -4.0167 3  436.2426664  595161404412319 2    402020 2      C-13-H3C(O)CH3
  873485.2737  0.0085 -4.0166 3  436.2466664  595161404412319 1    402020 1      C-13-H3C(O)CH3
  873488.8788  0.0071 -4.8469 3  277.4592584  595161404361026 0    35 927 0      C-13-H3C(O)CH3
  873488.8788  0.0071 -4.3336 3  277.4592584  595161404361126 0    35 927 0      C-13-H3C(O)CH3
  873488.8788  0.0071 -5.7611 3  277.4592584  595161404361126 0    35 827 0      C-13-H3C(O)CH3
  873488.8788  0.0071 -4.4698 3  277.4592584  595161404361026 0    35 827 0      C-13-H3C(O)CH3
  873526.1302  0.0115 -4.3174 3  436.2188332  595161404412319 4    402020 4      C-13-H3C(O)CH3
  873526.9174  0.0115 -4.3174 3  436.2188332  595161404412319 3    402020 3      C-13-H3C(O)CH3
  873551.6293  0.0423 -5.5871 3 1281.2882D04  595161404811170 0    801169 0      C-13-H3C(O)CH3
  873551.6293  0.0423 -5.5871 3 1281.2882D04  595161404811270 0    801269 0      C-13-H3C(O)CH3
  873551.6293  0.0423 -4.5115 3 1281.2882D04  595161404811270 0    801169 0      C-13-H3C(O)CH3
  873551.6293  0.0423 -4.5115 3 1281.2882D04  595161404811170 0    801269 0      C-13-H3C(O)CH3
  873584.9982  0.0517 -5.1254 3 1281.2794D04  595161404811170 2    801169 2      C-13-H3C(O)CH3
  873584.9982  0.0517 -4.5868 3 1281.2794D04  595161404811170 2    801269 2      C-13-H3C(O)CH3
  873584.9982  0.0517 -4.5868 3 1281.2794D04  595161404811270 2    801169 2      C-13-H3C(O)CH3
  873584.9982  0.0517 -5.1254 3 1281.2794D04  595161404811270 2    801269 2      C-13-H3C(O)CH3
  873585.1467  0.0546 -4.4765 3 1281.2796D04  595161404811170 1    801169 1      C-13-H3C(O)CH3
  873585.1467  0.0546 -4.4765 3 1281.2796D04  595161404811270 1    801269 1      C-13-H3C(O)CH3
  873618.5399  0.0472 -5.1926 3 1281.2707652  595161404811270 3    801169 3      C-13-H3C(O)CH3
  873618.5399  0.0472 -5.1926 3 1281.2707652  595161404811170 3    801269 3      C-13-H3C(O)CH3
  873618.5399  0.0472 -4.9881 3 1281.2707652  595161404811170 3    801169 3      C-13-H3C(O)CH3
  873618.5399  0.0472 -4.9881 3 1281.2707652  595161404811270 3    801269 3      C-13-H3C(O)CH3
  873618.5857  0.0472 -5.6072 3 1281.2707652  595161404811170 4    801169 4      C-13-H3C(O)CH3
  873618.5857  0.0472 -4.8469 3 1281.2707652  595161404811170 4    801269 4      C-13-H3C(O)CH3
  873618.5857  0.0472 -4.8469 3 1281.2707652  595161404811270 4    801169 4      C-13-H3C(O)CH3
  873618.5857  0.0472 -5.6072 3 1281.2707652  595161404811270 4    801269 4      C-13-H3C(O)CH3
  873717.5412  0.0191 -4.7559 3 1311.8595708  59516140488 385 4    87 484 4      C-13-H3C(O)CH3
  873717.5412  0.0191 -4.7559 3 1311.8595708  59516140488 485 4    87 384 4      C-13-H3C(O)CH3
  873717.5758  0.0191 -5.0950 3 1311.8595708  59516140488 485 3    87 384 3      C-13-H3C(O)CH3
  873717.5758  0.0191 -5.0012 3 1311.8595708  59516140488 385 3    87 384 3      C-13-H3C(O)CH3
  873717.5758  0.0191 -5.0950 3 1311.8595708  59516140488 385 3    87 484 3      C-13-H3C(O)CH3
  873717.5758  0.0191 -5.0012 3 1311.8595708  59516140488 485 3    87 484 3      C-13-H3C(O)CH3
  873736.7979  0.0252 -4.4493 3 1311.8850E16  59516140488 485 1    87 484 1      C-13-H3C(O)CH3
  873736.7979  0.0252 -4.4493 3 1311.8850E16  59516140488 385 1    87 384 1      C-13-H3C(O)CH3
  873736.8205  0.0271 -5.3982 3 1311.8846E16  59516140488 385 2    87 384 2      C-13-H3C(O)CH3
  873736.8205  0.0271 -5.3982 3 1311.8846E16  59516140488 485 2    87 484 2      C-13-H3C(O)CH3
  873736.8205  0.0271 -4.4946 3 1311.8846E16  59516140488 485 2    87 384 2      C-13-H3C(O)CH3
  873736.8205  0.0271 -4.4946 3 1311.8846E16  59516140488 385 2    87 484 2      C-13-H3C(O)CH3
  873756.0413  0.0195 -5.4985 3 1311.9101E16  59516140488 385 0    87 384 0      C-13-H3C(O)CH3
  873756.0413  0.0195 -4.4836 3 1311.9101E16  59516140488 385 0    87 484 0      C-13-H3C(O)CH3
  873756.0413  0.0195 -4.4836 3 1311.9101E16  59516140488 485 0    87 384 0      C-13-H3C(O)CH3
  873756.0413  0.0195 -5.4985 3 1311.9101E16  59516140488 485 0    87 484 0      C-13-H3C(O)CH3
  873826.8328  0.0157 -5.6872 3  254.2274504  595161404312210 0    301713 0      C-13-H3C(O)CH3
  873845.2435  0.0115 -5.3779 3  266.1280520  595161404322112 1    311615 1      C-13-H3C(O)CH3
  873864.3224  0.0185 -5.7180 3  254.2050504  595161404312210 2    301713 2      C-13-H3C(O)CH3
  873883.5968  0.0113 -3.8144 3  655.3660792  595161404493217 0    483118 0      C-13-H3C(O)CH3
  873905.4138  0.0113 -5.6799 3  266.1051260  595161404322112 3    311615 3      C-13-H3C(O)CH3
  873911.3883  0.0112 -5.6790 3  266.1051260  595161404322112 4    311615 4      C-13-H3C(O)CH3
  873958.9779  0.0120 -4.0424 3  465.3614680  595161404422518 0    412219 0      C-13-H3C(O)CH3
  874001.5345  0.0119 -5.3789 3  266.1450520  595161404322112 0    311615 0      C-13-H3C(O)CH3
  874068.3843  0.0117 -4.0422 3  465.3394680  595161404422518 1    412219 1      C-13-H3C(O)CH3
  874070.3833  0.0113 -5.3797 3  266.1220520  595161404322112 2    311615 2      C-13-H3C(O)CH3
  874101.8466  0.0112 -4.0426 3  465.3336680  595161404422518 2    412219 2      C-13-H3C(O)CH3
  874184.9892  0.0174 -4.1217 3  655.3764396  595161404493217 3    483118 3      C-13-H3C(O)CH3
  874188.8761  0.0673 -4.6896 3 1216.1155B92  595161404741955 0    732054 0      C-13-H3C(O)CH3
  874188.8761  0.0673 -4.8530 3 1216.1155B92  595161404741955 0    731954 0      C-13-H3C(O)CH3
  874188.8761  0.0673 -4.7342 3 1216.1155B92  595161404742055 0    732054 0      C-13-H3C(O)CH3
  874188.8761  0.0673 -4.7952 3 1216.1155B92  595161404742055 0    731954 0      C-13-H3C(O)CH3
  874207.0565  0.0103 -4.3434 3  465.3115340  595161404422518 4    412219 4      C-13-H3C(O)CH3
  874214.8104  0.0270 -3.8673 3  655.3669792  595161404493217 1    483118 1      C-13-H3C(O)CH3
  874215.2840  0.0104 -4.3434 3  465.3115340  595161404422518 3    412219 3      C-13-H3C(O)CH3
  874218.7114  0.0674 -4.5380 3 1216.1288B92  595161404742055 1    731954 1      C-13-H3C(O)CH3
  874218.7114  0.0674 -4.5380 3 1216.1288B92  595161404741955 1    732054 1      C-13-H3C(O)CH3
  874218.7114  0.0674 -5.2604 3 1216.1288B92  595161404741955 1    731954 1      C-13-H3C(O)CH3
  874218.7114  0.0674 -5.2604 3 1216.1288B92  595161404742055 1    732054 1      C-13-H3C(O)CH3
  874220.1884  0.0686 -6.0573 3 1216.1292B92  595161404742055 2    731954 2      C-13-H3C(O)CH3
  874220.1884  0.0686 -4.4738 3 1216.1292B92  595161404742055 2    732054 2      C-13-H3C(O)CH3
  874220.1884  0.0686 -6.0573 3 1216.1292B92  595161404741955 2    732054 2      C-13-H3C(O)CH3
  874220.1884  0.0686 -4.4738 3 1216.1292B92  595161404741955 2    731954 2      C-13-H3C(O)CH3
  874250.0584  0.0604 -4.7641 3 1216.1425596  595161404741955 3    731954 3      C-13-H3C(O)CH3
  874250.0584  0.0604 -4.7666 3 1216.1425596  595161404742055 3    732054 3      C-13-H3C(O)CH3
  874250.1112  0.0604 -4.9182 3 1216.1425596  595161404742055 4    731954 4      C-13-H3C(O)CH3
  874250.1112  0.0604 -5.2873 3 1216.1425596  595161404742055 4    732054 4      C-13-H3C(O)CH3
  874250.1112  0.0604 -5.2873 3 1216.1425596  595161404741955 4    731954 4      C-13-H3C(O)CH3
  874250.1112  0.0604 -4.9182 3 1216.1425596  595161404741955 4    732054 4      C-13-H3C(O)CH3
  874267.2616  0.0092 -3.3115 3  621.9886712 -5951614044443 2 0    4342 1 0      C-13-H3C(O)CH3
  874267.2616  0.0092 -3.3115 3  621.9886712 -5951614044443 1 0    4342 2 0      C-13-H3C(O)CH3
  874406.4225  0.0102 -3.3114 3  622.0424712 -5951614044443 1 1    4342 1 1      C-13-H3C(O)CH3
  874411.1463  0.0440 -3.9086 3  655.3688792  595161404493217 2    483118 2      C-13-H3C(O)CH3
  874438.2853  0.0115 -3.3113 3  622.0134712 -5951614044443 1 2    4342 1 2      C-13-H3C(O)CH3
  874447.3300  0.0107 -3.3112 3  621.9516712 -5951614044443 2 2    4342 2 2      C-13-H3C(O)CH3
  874520.4079  0.0099 -3.3112 3  621.9758712 -5951614044443 2 1    4342 2 1      C-13-H3C(O)CH3
  874577.9818  0.0169 -3.6123 3  622.0671356  5951614044443 1 4    4342 1 4      C-13-H3C(O)CH3
  874584.2927  0.0127 -5.0605 3  240.5166284  59516140435 728 4    34 529 4      C-13-H3C(O)CH3
  874584.2927  0.0127 -5.2907 3  240.5166284  59516140435 728 4    34 629 4      C-13-H3C(O)CH3
  874584.2927  0.0127 -5.2907 3  240.5166284  59516140435 828 4    34 529 4      C-13-H3C(O)CH3
  874584.2927  0.0127 -5.0605 3  240.5166284  59516140435 828 4    34 629 4      C-13-H3C(O)CH3
  874584.7471  0.0112 -4.8855 3  240.5165284  59516140435 828 3    34 629 3      C-13-H3C(O)CH3
  874584.7471  0.0112 -4.8855 3  240.5165284  59516140435 728 3    34 529 3      C-13-H3C(O)CH3
  874586.3662  0.0163 -3.6122 3  622.0052356  5951614044443 1 3    4342 1 3      C-13-H3C(O)CH3
  874607.0019  0.1430 -4.4065 3  905.0629936  595161404583425 0    573324 0      C-13-H3C(O)CH3
  874634.8021  0.1675 -4.8269 3  968.7582484  595161404603426 3    593525 3      C-13-H3C(O)CH3
  874644.6570  0.1620 -4.8269 3  968.7580484  595161404603426 4    593525 4      C-13-H3C(O)CH3
  874691.3296  0.0169 -3.6121 3  622.0005356  5951614044443 2 3    4342 2 3      C-13-H3C(O)CH3
  874699.7861  0.0167 -3.6120 3  621.9388356  5951614044443 2 4    4342 2 4      C-13-H3C(O)CH3
  874721.7751  0.0425 -5.2389 3 1290.6218D20  595161404821172 0    811071 0      C-13-H3C(O)CH3
  874721.7751  0.0425 -5.2389 3 1290.6218D20  595161404821072 0    811171 0      C-13-H3C(O)CH3
  874721.7751  0.0425 -4.5641 3 1290.6218D20  595161404821172 0    811171 0      C-13-H3C(O)CH3
  874721.7751  0.0425 -4.5641 3 1290.6218D20  595161404821072 0    811071 0      C-13-H3C(O)CH3
  874752.4854  0.0566 -4.4817 3 1290.6083D20  595161404821172 2    811171 2      C-13-H3C(O)CH3
  874752.4854  0.0566 -4.4817 3 1290.6083D20  595161404821072 2    811071 2      C-13-H3C(O)CH3
  874752.6828  0.0601 -4.5942 3 1290.6085D20  595161404821072 1    811071 1      C-13-H3C(O)CH3
  874752.6828  0.0601 -5.1192 3 1290.6085D20  595161404821072 1    811171 1      C-13-H3C(O)CH3
  874752.6828  0.0601 -5.1192 3 1290.6085D20  595161404821172 1    811071 1      C-13-H3C(O)CH3
  874752.6828  0.0601 -4.5942 3 1290.6085D20  595161404821172 1    811171 1      C-13-H3C(O)CH3
  874783.4134  0.0460 -5.0295 3 1290.5951660  595161404821072 3    811071 3      C-13-H3C(O)CH3
  874783.4134  0.0460 -5.1435 3 1290.5951660  595161404821072 3    811171 3      C-13-H3C(O)CH3
  874783.4134  0.0460 -5.1435 3 1290.5951660  595161404821172 3    811071 3      C-13-H3C(O)CH3
  874783.4134  0.0460 -5.0295 3 1290.5951660  595161404821172 3    811171 3      C-13-H3C(O)CH3
  874783.4521  0.0460 -4.7932 3 1290.5950660  595161404821072 4    811071 4      C-13-H3C(O)CH3
  874783.4521  0.0460 -4.7932 3 1290.5950660  595161404821172 4    811171 4      C-13-H3C(O)CH3
  874862.1406  0.1375 -4.5244 3  968.7500968  595161404603426 1    593525 1      C-13-H3C(O)CH3
  874916.1322  0.1881 -4.5242 3  968.7505968  595161404603426 2    593525 2      C-13-H3C(O)CH3
  874972.1156  0.0138 -4.7848 3 1316.9166716 -59516140489 287 4    88 386 4      C-13-H3C(O)CH3
  874972.1156  0.0138 -4.7848 3 1316.9166716 -59516140489 387 4    88 286 4      C-13-H3C(O)CH3
  874972.2016  0.0138 -5.7744 3 1316.9166716  59516140489 387 4    88 386 4      C-13-H3C(O)CH3
  874972.2016  0.0138 -5.7744 3 1316.9166716  59516140489 287 4    88 286 4      C-13-H3C(O)CH3
  874972.2100  0.0138 -4.7548 3 1316.9166716  59516140489 387 3    88 286 3      C-13-H3C(O)CH3
  874972.2100  0.0138 -4.7548 3 1316.9166716  59516140489 287 3    88 386 3      C-13-H3C(O)CH3
  874995.4259  0.0194 -5.3765 3 1316.9269E32  59516140489 387 2    88 286 2      C-13-H3C(O)CH3
  874995.4259  0.0194 -4.4950 3 1316.9269E32  59516140489 387 2    88 386 2      C-13-H3C(O)CH3
  874995.4259  0.0194 -5.3765 3 1316.9269E32  59516140489 287 2    88 386 2      C-13-H3C(O)CH3
  874995.4259  0.0194 -4.4950 3 1316.9269E32  59516140489 287 2    88 286 2      C-13-H3C(O)CH3
  874995.5722  0.0156 -4.4921 3 1316.9274E32  59516140489 287 1    88 286 1      C-13-H3C(O)CH3
  874995.5722  0.0156 -5.3997 3 1316.9274E32  59516140489 387 1    88 286 1      C-13-H3C(O)CH3
  874995.6080  0.0156 -5.3997 3 1316.9274E32 -59516140489 287 1    88 386 1      C-13-H3C(O)CH3
  874995.6080  0.0156 -4.4921 3 1316.9274E32 -59516140489 387 1    88 386 1      C-13-H3C(O)CH3
  874995.6319  0.0597 -4.4250 3  962.9147968  595161404603427 0    593326 0      C-13-H3C(O)CH3
  875010.3893  0.0093 -4.5983 3  240.5099568  59516140435 728 2    34 629 2      C-13-H3C(O)CH3
  875010.3893  0.0093 -4.5603 3  240.5099568  59516140435 728 2    34 529 2      C-13-H3C(O)CH3
  875010.3893  0.0093 -5.6087 3  240.5099568  59516140435 828 2    34 629 2      C-13-H3C(O)CH3
  875015.7777  0.0100 -4.5634 3  240.5105568  59516140435 728 1    34 529 1      C-13-H3C(O)CH3
  875015.7777  0.0100 -4.5634 3  240.5105568  59516140435 828 1    34 629 1      C-13-H3C(O)CH3
  875018.7650  0.0129 -4.5582 3 1316.9377E32  59516140489 387 0    88 386 0      C-13-H3C(O)CH3
  875018.7650  0.0129 -5.0689 3 1316.9377E32  59516140489 287 0    88 386 0      C-13-H3C(O)CH3
  875018.9675  0.0129 -5.0689 3 1316.9377E32 -59516140489 387 0    88 286 0      C-13-H3C(O)CH3
  875018.9675  0.0129 -4.5582 3 1316.9377E32 -59516140489 287 0    88 286 0      C-13-H3C(O)CH3
  875113.2757  0.5032 -5.9984 3 1458.8264B76  595161404734529 1    724626 1      C-13-H3C(O)CH3
  875131.7874  0.1473 -4.5228 3  968.7425968  595161404603426 0    593525 0      C-13-H3C(O)CH3
  875159.8329  0.1226 -4.4066 3  905.0499936  595161404583425 1    573324 1      C-13-H3C(O)CH3
  875180.9505  0.1731 -4.4067 3  905.0496936  595161404583425 2    573324 2      C-13-H3C(O)CH3
  875181.0308  0.0571 -4.4253 3  962.9174968  595161404603427 2    593326 2      C-13-H3C(O)CH3
  875183.8638  0.0512 -4.4253 3  962.9159968  595161404603427 1    593326 1      C-13-H3C(O)CH3
  875186.3250  0.0823 -4.3479 3  655.3637396  595161404493217 4    483118 4      C-13-H3C(O)CH3
  875235.0699  0.0661 -4.8746 3 1229.8003C08  595161404751957 0    741856 0      C-13-H3C(O)CH3
  875235.0699  0.0661 -6.0070 3 1229.8003C08  595161404751857 0    741956 0      C-13-H3C(O)CH3
  875235.0699  0.0661 -4.5244 3 1229.8003C08  595161404751957 0    741956 0      C-13-H3C(O)CH3
  875235.0699  0.0661 -4.8359 3 1229.8003C08  595161404751857 0    741856 0      C-13-H3C(O)CH3
  875266.2496  0.0658 -4.5275 3 1229.8123C08  595161404751957 1    741956 1      C-13-H3C(O)CH3
  875266.2496  0.0658 -4.5275 3 1229.8123C08  595161404751857 1    741856 1      C-13-H3C(O)CH3
  875266.2496  0.0658 -5.3912 3 1229.8123C08  595161404751957 1    741856 1      C-13-H3C(O)CH3
  875266.2496  0.0658 -5.3912 3 1229.8123C08  595161404751857 1    741956 1      C-13-H3C(O)CH3
  875267.5301  0.0671 -4.6450 3 1229.8127C08  595161404751857 2    741956 2      C-13-H3C(O)CH3
  875267.5301  0.0671 -4.9547 3 1229.8127C08  595161404751957 2    741956 2      C-13-H3C(O)CH3
  875267.5301  0.0671 -4.6450 3 1229.8127C08  595161404751957 2    741856 2      C-13-H3C(O)CH3
  875267.5301  0.0671 -4.9547 3 1229.8127C08  595161404751857 2    741856 2      C-13-H3C(O)CH3
  875287.3842  0.5655 -5.9986 3 1458.8146B76  595161404734529 2    724626 2      C-13-H3C(O)CH3
  875298.7447  0.0599 -5.2811 3 1229.8247604  595161404751857 3    741856 3      C-13-H3C(O)CH3
  875298.7447  0.0599 -4.8110 3 1229.8247604  595161404751857 3    741956 3      C-13-H3C(O)CH3
  875298.7447  0.0599 -5.8479 3 1229.8247604  595161404751957 3    741956 3      C-13-H3C(O)CH3
  875298.7447  0.0599 -4.9341 3 1229.8247604  595161404751957 3    741856 3      C-13-H3C(O)CH3
  875298.7985  0.0599 -4.9781 3 1229.8247604  595161404751857 4    741856 4      C-13-H3C(O)CH3
  875298.7985  0.0599 -5.1967 3 1229.8247604  595161404751857 4    741956 4      C-13-H3C(O)CH3
  875298.7985  0.0599 -5.1967 3 1229.8247604  595161404751957 4    741856 4      C-13-H3C(O)CH3
  875298.7985  0.0599 -4.9781 3 1229.8247604  595161404751957 4    741956 4      C-13-H3C(O)CH3
  875371.6775  0.0406 -4.7266 3  962.9186484  595161404603427 4    593326 4      C-13-H3C(O)CH3
  875373.7436  0.0419 -4.7266 3  962.9186484  595161404603427 3    593326 3      C-13-H3C(O)CH3
  875405.3729  0.0193 -5.3692 3  202.9656276  59516140434 430 3    33 231 3      C-13-H3C(O)CH3
  875405.3729  0.0193 -5.3692 3  202.9656276  59516140434 530 3    33 331 3      C-13-H3C(O)CH3
  875405.4962  0.0212 -5.3271 3  202.9657276  59516140434 430 4    33 331 4      C-13-H3C(O)CH3
  875405.4962  0.0212 -5.3271 3  202.9657276  59516140434 530 4    33 231 4      C-13-H3C(O)CH3
  875440.5962  0.0089 -5.0868 3  240.5039568  59516140435 728 0    34 529 0      C-13-H3C(O)CH3
  875440.5962  0.0089 -4.7095 3  240.5039568  59516140435 728 0    34 629 0      C-13-H3C(O)CH3
  875440.5962  0.0089 -4.7095 3  240.5039568  59516140435 828 0    34 529 0      C-13-H3C(O)CH3
  875440.5962  0.0089 -5.0868 3  240.5039568  59516140435 828 0    34 629 0      C-13-H3C(O)CH3
  875505.9723  0.4692 -5.9982 3 1458.7934B76  595161404734529 0    724626 0      C-13-H3C(O)CH3
  875715.5225  0.0184 -5.5065 3  287.4068260  5951614043226 6 4    3123 8 4      C-13-H3C(O)CH3
  875735.3848  0.1414 -4.7079 3  905.0365468  595161404583425 4    573324 4      C-13-H3C(O)CH3
  875745.8789  0.1452 -4.7079 3  905.0363468  595161404583425 3    573324 3      C-13-H3C(O)CH3
  875769.3140  0.0163 -5.5037 3  287.3999260  5951614043226 7 3    3123 8 3      C-13-H3C(O)CH3
  875852.1744  0.0469 -4.4092 3 1056.9552A32  595161404643034 0    633133 0      C-13-H3C(O)CH3
  875852.2213  0.0469 -4.4092 3 1056.9552A32  595161404643134 0    633033 0      C-13-H3C(O)CH3
  875853.2605  0.0507 -4.4122 3 1077.0856A48  595161404652936 0    643035 0      C-13-H3C(O)CH3
  875853.2613  0.0507 -4.4122 3 1077.0856A48  595161404653036 0    642935 0      C-13-H3C(O)CH3
  875879.8386  0.0511 -4.4123 3 1077.1004A48  595161404652936 1    643035 1      C-13-H3C(O)CH3
  875879.8397  0.0511 -4.4123 3 1077.1004A48  595161404653036 1    642935 1      C-13-H3C(O)CH3
  875882.0554  0.0473 -4.4093 3 1056.9690A32  595161404643034 1    633133 1      C-13-H3C(O)CH3
  875882.1120  0.0473 -4.4093 3 1056.9690A32  595161404643134 1    633033 1      C-13-H3C(O)CH3
  875882.3110  0.0535 -4.4123 3 1077.1019A48  595161404652936 2    643035 2      C-13-H3C(O)CH3
  875882.3120  0.0535 -4.4123 3 1077.1019A48  595161404653036 2    642935 2      C-13-H3C(O)CH3
  875884.9006  0.0500 -4.4093 3 1056.9705A32  595161404643034 2    633133 2      C-13-H3C(O)CH3
  875884.9521  0.0500 -4.4093 3 1056.9705A32  595161404643134 2    633033 2      C-13-H3C(O)CH3
  875901.9256  0.0438 -5.8495 3 1299.4223D36 -59516140483 974 0    82 973 0      C-13-H3C(O)CH3
  875901.9256  0.0438 -4.5035 3 1299.4223D36 -595161404831074 0    82 973 0      C-13-H3C(O)CH3
  875901.9256  0.0438 -4.5035 3 1299.4223D36 -59516140483 974 0    821073 0      C-13-H3C(O)CH3
  875901.9256  0.0438 -5.8495 3 1299.4223D36 -595161404831074 0    821073 0      C-13-H3C(O)CH3
  875908.9292  0.0506 -4.7133 3 1077.1167524  595161404652936 3    643035 3      C-13-H3C(O)CH3
  875908.9304  0.0506 -4.7133 3 1077.1167524  595161404653036 3    642935 3      C-13-H3C(O)CH3
  875908.9760  0.0506 -4.7133 3 1077.1168524  595161404652936 4    643035 4      C-13-H3C(O)CH3
  875908.9772  0.0506 -4.7133 3 1077.1168524  595161404653036 4    642935 4      C-13-H3C(O)CH3
  875914.8294  0.0480 -4.7104 3 1056.9843516  595161404643034 3    633133 3      C-13-H3C(O)CH3
  875914.8819  0.0480 -4.7104 3 1056.9844516  595161404643034 4    633133 4      C-13-H3C(O)CH3
  875914.8915  0.0480 -4.7104 3 1056.9843516  595161404643134 3    633033 3      C-13-H3C(O)CH3
  875914.9435  0.0480 -4.7104 3 1056.9844516  595161404643134 4    633033 4      C-13-H3C(O)CH3
  875932.2460  0.0624 -4.6452 3 1299.4040D36  595161404831074 2    821073 2      C-13-H3C(O)CH3
  875932.2460  0.0624 -4.9935 3 1299.4040D36  595161404831074 2    82 973 2      C-13-H3C(O)CH3
  875932.2460  0.0624 -4.9935 3 1299.4040D36  59516140483 974 2    821073 2      C-13-H3C(O)CH3
  875932.2460  0.0624 -4.6452 3 1299.4040D36  59516140483 974 2    82 973 2      C-13-H3C(O)CH3
  875932.4332  0.0661 -4.4844 3 1299.4042D36  595161404831074 1    821073 1      C-13-H3C(O)CH3
  875932.4332  0.0661 -4.4844 3 1299.4042D36  59516140483 974 1    82 973 1      C-13-H3C(O)CH3
  875959.3332  0.0449 -5.6393 3 1299.3859668  59516140483 974 3    82 973 3      C-13-H3C(O)CH3
  875959.3332  0.0449 -5.6393 3 1299.3859668  595161404831074 3    821073 3      C-13-H3C(O)CH3
  875959.3332  0.0449 -4.8508 3 1299.3859668  595161404831074 3    82 973 3      C-13-H3C(O)CH3
  875959.3332  0.0449 -4.8508 3 1299.3859668  59516140483 974 3    821073 3      C-13-H3C(O)CH3
  875959.3622  0.0449 -5.1617 3 1299.3858668  595161404831074 4    82 973 4      C-13-H3C(O)CH3
  875959.3622  0.0449 -5.1617 3 1299.3858668  59516140483 974 4    821073 4      C-13-H3C(O)CH3
  875959.3622  0.0449 -5.0222 3 1299.3858668  59516140483 974 4    82 973 4      C-13-H3C(O)CH3
  875959.3622  0.0449 -5.0222 3 1299.3858668  595161404831074 4    821073 4      C-13-H3C(O)CH3
  875971.5420  0.0151 -5.2055 3  287.4262520  5951614043226 6 1    3123 8 1      C-13-H3C(O)CH3
  875977.0371  0.0237 -4.5408 3  408.8656632  595161404392614 0    382315 0      C-13-H3C(O)CH3
  875978.3952  0.0237 -4.5485 3  408.8465632  595161404392614 1    382315 1      C-13-H3C(O)CH3
  876101.6362  0.0212 -5.0482 3  202.9274552  59516140434 430 2    33 231 2      C-13-H3C(O)CH3
  876101.6362  0.0212 -5.0268 3  202.9274552  59516140434 530 2    33 331 2      C-13-H3C(O)CH3
  876104.3525  0.0227 -5.0106 3  202.9279552  59516140434 430 1    33 231 1      C-13-H3C(O)CH3
  876104.3525  0.0227 -5.0106 3  202.9279552  59516140434 530 1    33 331 1      C-13-H3C(O)CH3
  876147.7159  0.0545 -4.4180 3 1096.5622A64  595161404662838 0    652937 0      C-13-H3C(O)CH3
  876147.7159  0.0545 -4.4180 3 1096.5622A64  595161404662938 0    652837 0      C-13-H3C(O)CH3
  876172.1346  0.0164 -5.5057 3  287.3901260  5951614043226 6 3    3123 9 3      C-13-H3C(O)CH3
  876172.2203  0.0550 -4.4181 3 1096.5778A64  595161404662838 1    652937 1      C-13-H3C(O)CH3
  876172.2203  0.0550 -4.4181 3 1096.5778A64  595161404662938 1    652837 1      C-13-H3C(O)CH3
  876174.5101  0.0571 -4.4181 3 1096.5792A64  595161404662838 2    652937 2      C-13-H3C(O)CH3
  876174.5101  0.0571 -4.4181 3 1096.5792A64  595161404662938 2    652837 2      C-13-H3C(O)CH3
  876189.7443  0.0056 -3.3640 3  626.0658728 -5951614044541 5 0    4440 5 0      C-13-H3C(O)CH3
  876189.7443  0.0056 -3.3640 3  626.0658728 -5951614044541 4 0    4440 4 0      C-13-H3C(O)CH3
  876199.0503  0.0530 -4.7191 3 1096.5948532  595161404662938 3    652837 3      C-13-H3C(O)CH3
  876199.0503  0.0530 -4.7191 3 1096.5948532  595161404662838 3    652937 3      C-13-H3C(O)CH3
  876199.0943  0.0531 -4.7191 3 1096.5948532  595161404662938 4    652837 4      C-13-H3C(O)CH3
  876199.0943  0.0531 -4.7191 3 1096.5948532  595161404662838 4    652937 4      C-13-H3C(O)CH3
  876224.7739  0.0177 -5.5022 3  287.3833260  5951614043226 7 4    3123 9 4      C-13-H3C(O)CH3
  876244.6029  0.0140 -4.7396 3 1321.4559724  59516140490 189 3    89 188 3      C-13-H3C(O)CH3
  876244.6029  0.0140 -4.7396 3 1321.4559724  59516140490 289 3    89 288 3      C-13-H3C(O)CH3
  876244.6255  0.0140 -4.8856 3 1321.4560724  59516140490 289 4    89 288 4      C-13-H3C(O)CH3
  876244.6255  0.0140 -5.2837 3 1321.4560724  59516140490 289 4    89 188 4      C-13-H3C(O)CH3
  876244.6255  0.0140 -4.8856 3 1321.4560724  59516140490 189 4    89 188 4      C-13-H3C(O)CH3
  876244.6255  0.0140 -5.2837 3 1321.4560724  59516140490 189 4    89 288 4      C-13-H3C(O)CH3
  876252.4829  0.0148 -5.2088 3  287.4340520  5951614043226 6 2    3123 8 2      C-13-H3C(O)CH3
  876264.2080  0.0221 -5.0615 3 1321.4392E48  59516140490 289 2    89 188 2      C-13-H3C(O)CH3
  876264.2080  0.0221 -4.5566 3 1321.4392E48  59516140490 289 2    89 288 2      C-13-H3C(O)CH3
  876264.2080  0.0221 -5.0615 3 1321.4392E48  59516140490 189 2    89 288 2      C-13-H3C(O)CH3
  876264.2080  0.0221 -4.5566 3 1321.4392E48  59516140490 189 2    89 188 2      C-13-H3C(O)CH3
  876264.2353  0.0172 -4.4466 3 1321.4397E48 -59516140490 289 1    89 188 1      C-13-H3C(O)CH3
  876264.4242  0.0172 -4.4466 3 1321.4397E48  59516140490 189 1    89 288 1      C-13-H3C(O)CH3
  876283.9794  0.0135 -5.4304 3 1321.4230E48  59516140490 189 0    89 188 0      C-13-H3C(O)CH3
  876283.9794  0.0135 -5.4304 3 1321.4230E48  59516140490 289 0    89 288 0      C-13-H3C(O)CH3
  876283.9794  0.0135 -4.4851 3 1321.4230E48  59516140490 289 0    89 188 0      C-13-H3C(O)CH3
  876283.9794  0.0135 -4.4851 3 1321.4230E48  59516140490 189 0    89 288 0      C-13-H3C(O)CH3
  876291.9612  0.0066 -3.3639 3  626.0770728 -5951614044541 4 2    4440 4 2      C-13-H3C(O)CH3
  876302.0665  0.0641 -4.5621 3 1242.9391C24  595161404761759 0    751858 0      C-13-H3C(O)CH3
  876302.0665  0.0641 -5.2465 3 1242.9391C24  595161404761859 0    751858 0      C-13-H3C(O)CH3
  876302.0665  0.0641 -5.2465 3 1242.9391C24  595161404761759 0    751758 0      C-13-H3C(O)CH3
  876302.0665  0.0641 -4.5621 3 1242.9391C24  595161404761859 0    751758 0      C-13-H3C(O)CH3
  876302.6644  0.0148 -5.2057 3  287.4271520  5951614043226 7 2    3123 9 2      C-13-H3C(O)CH3
  876304.9505  0.0432 -4.4106 3 1036.1301A16  595161404633132 0    623231 0      C-13-H3C(O)CH3
  876305.0729  0.0061 -3.3639 3  626.0428728 -5951614044541 5 2    4440 5 2      C-13-H3C(O)CH3
  876306.9802  0.0432 -4.4106 3 1036.1300A16  595161404633232 0    623131 0      C-13-H3C(O)CH3
  876320.8747  0.0063 -3.3639 3  626.0981728 -5951614044541 4 1    4440 4 1      C-13-H3C(O)CH3
  876334.5778  0.0634 -4.4893 3 1242.9496C24  595161404761859 1    751858 1      C-13-H3C(O)CH3
  876334.5778  0.0634 -4.4893 3 1242.9496C24  595161404761759 1    751758 1      C-13-H3C(O)CH3
  876335.6387  0.0648 -4.7273 3 1242.9498C24  595161404761759 2    751858 2      C-13-H3C(O)CH3
  876335.6387  0.0648 -4.8435 3 1242.9498C24  595161404761859 2    751858 2      C-13-H3C(O)CH3
  876335.6387  0.0648 -4.6530 3 1242.9498C24  595161404761759 2    751758 2      C-13-H3C(O)CH3
  876335.6387  0.0648 -4.9648 3 1242.9498C24  595161404761859 2    751758 2      C-13-H3C(O)CH3
  876340.0708  0.0436 -4.4107 3 1036.1424A16  595161404633132 1    623231 1      C-13-H3C(O)CH3
  876342.3720  0.0435 -4.4107 3 1036.1424A16  595161404633232 1    623131 1      C-13-H3C(O)CH3
  876343.6879  0.0464 -4.4107 3 1036.1440A16  595161404633132 2    623231 2      C-13-H3C(O)CH3
  876345.8778  0.0463 -4.4107 3 1036.1440A16  595161404633232 2    623131 2      C-13-H3C(O)CH3
  876368.1850  0.0590 -4.7844 3 1242.9603612  595161404761859 3    751858 3      C-13-H3C(O)CH3
  876368.1850  0.0590 -4.7828 3 1242.9603612  595161404761759 3    751758 3      C-13-H3C(O)CH3
  876368.2397  0.0590 -4.7817 3 1242.9603612  595161404761759 4    751858 4      C-13-H3C(O)CH3
  876368.2397  0.0590 -4.7823 3 1242.9603612  595161404761859 4    751758 4      C-13-H3C(O)CH3
  876378.8638  0.0452 -4.7118 3 1036.1564508  595161404633132 3    623231 3      C-13-H3C(O)CH3
  876378.9319  0.0453 -4.7118 3 1036.1564508  595161404633132 4    623231 4      C-13-H3C(O)CH3
  876381.0559  0.1045 -5.4232 3  660.5162396  595161404493317 4    483216 4      C-13-H3C(O)CH3
  876381.3452  0.0451 -4.7118 3 1036.1563508  595161404633232 3    623131 3      C-13-H3C(O)CH3
  876381.4038  0.0452 -4.7118 3 1036.1564508  595161404633232 4    623131 4      C-13-H3C(O)CH3
  876382.6363  0.0061 -3.3638 3  626.0458728 -5951614044541 5 1    4440 5 1      C-13-H3C(O)CH3
  876422.8153  0.0098 -3.6649 3  626.1091364  5951614044541 4 4    4440 4 4      C-13-H3C(O)CH3
  876423.3487  0.0148 -5.2044 3  287.4096520  5951614043226 7 1    3123 9 1      C-13-H3C(O)CH3
  876430.0328  0.0320 -4.9045 3  408.8108316  595161404392614 4    382315 4      C-13-H3C(O)CH3
  876435.5667  0.0090 -3.6649 3  626.0750364  5951614044541 4 3    4440 4 3      C-13-H3C(O)CH3
  876484.0652  0.0092 -3.6647 3  626.0570364  5951614044541 5 3    4440 5 3      C-13-H3C(O)CH3
  876497.4414  0.0092 -3.6647 3  626.0228364  5951614044541 5 4    4440 5 4      C-13-H3C(O)CH3
  876498.5838  0.0150 -5.2079 3  287.4535520  5951614043226 7 0    3123 8 0      C-13-H3C(O)CH3
  876517.1138  0.0150 -5.2078 3  287.4529520  5951614043226 6 0    3123 9 0      C-13-H3C(O)CH3
  876547.3071  0.0305 -4.5774 3  408.8299632  595161404392614 2    382315 2      C-13-H3C(O)CH3
  876619.5973  0.0074 -4.4093 3  342.7071308  595161404381523 4    371424 4      C-13-H3C(O)CH3
  876619.6004  0.0074 -4.4093 3  342.7071308  595161404381623 4    371324 4      C-13-H3C(O)CH3
  876619.9063  0.0073 -4.4093 3  342.7071308  595161404381523 3    371424 3      C-13-H3C(O)CH3
  876619.9094  0.0073 -4.4093 3  342.7071308  595161404381623 3    371324 3      C-13-H3C(O)CH3
  876642.3650  0.0581 -4.4288 3 1115.4128A80  595161404672840 0    662739 0      C-13-H3C(O)CH3
  876642.3650  0.0581 -4.4279 3 1115.4128A80  595161404672740 0    662839 0      C-13-H3C(O)CH3
  876656.3661  0.0069 -4.1085 3  342.7325616  595161404381523 2    371424 2      C-13-H3C(O)CH3
  876656.3691  0.0069 -4.1085 3  342.7325616  595161404381623 2    371324 2      C-13-H3C(O)CH3
  876665.6331  0.0587 -4.4257 3 1115.4289A80  595161404672840 1    662739 1      C-13-H3C(O)CH3
  876665.6331  0.0587 -4.4267 3 1115.4289A80  595161404672740 1    662839 1      C-13-H3C(O)CH3
  876667.8404  0.0605 -5.1776 3 1115.4302A80  595161404672740 2    662839 2      C-13-H3C(O)CH3
  876667.8404  0.0605 -4.5071 3 1115.4302A80  595161404672740 2    662739 2      C-13-H3C(O)CH3
  876667.8404  0.0605 -4.4339 3 1115.4302A80  595161404672840 2    662739 2      C-13-H3C(O)CH3
  876668.1269  0.0069 -4.1084 3  342.7342616  595161404381523 1    371424 1      C-13-H3C(O)CH3
  876668.1296  0.0069 -4.1084 3  342.7342616  595161404381623 1    371324 1      C-13-H3C(O)CH3
  876678.1330  0.0365 -4.8540 3  408.8109316  595161404392614 3    382315 3      C-13-H3C(O)CH3
  876691.1420  0.0554 -4.7269 3 1115.4463540  595161404672740 3    662839 3      C-13-H3C(O)CH3
  876691.1420  0.0554 -4.7269 3 1115.4463540  595161404672840 3    662739 3      C-13-H3C(O)CH3
  876691.1846  0.0554 -4.7302 3 1115.4463540  595161404672840 4    662739 4      C-13-H3C(O)CH3
  876691.1846  0.0554 -4.7303 3 1115.4463540  595161404672740 4    662839 4      C-13-H3C(O)CH3
  876704.5583  0.0060 -4.1085 3  342.7596616  595161404381523 0    371424 0      C-13-H3C(O)CH3
  876704.5610  0.0060 -4.1085 3  342.7596616  595161404381623 0    371324 0      C-13-H3C(O)CH3
  876790.0846  0.2851 -6.0333 3 1452.3596B76  595161404734430 1    724527 1      C-13-H3C(O)CH3
  876799.0872  0.0201 -5.0124 3  202.8897552  59516140434 530 0    33 331 0      C-13-H3C(O)CH3
  876799.0872  0.0201 -5.0124 3  202.8897552  59516140434 430 0    33 231 0      C-13-H3C(O)CH3
  876937.9395  0.3073 -6.0343 3 1452.3544B76  595161404734430 2    724527 2      C-13-H3C(O)CH3
  877046.1721  0.2587 -6.0354 3 1452.3397B76  595161404734430 0    724527 0      C-13-H3C(O)CH3
  877096.4590  0.0456 -4.7634 3 1307.6908D52 -59516140484 976 0    83 975 0      C-13-H3C(O)CH3
  877096.4590  0.0456 -4.8148 3 1307.6908D52 -59516140484 876 0    83 975 0      C-13-H3C(O)CH3
  877096.4590  0.0456 -4.7634 3 1307.6908D52 -59516140484 876 0    83 875 0      C-13-H3C(O)CH3
  877096.4590  0.0456 -4.8148 3 1307.6908D52 -59516140484 976 0    83 875 0      C-13-H3C(O)CH3
  877124.1737  0.0673 -5.1884 3 1307.6675D52  59516140484 976 2    83 975 2      C-13-H3C(O)CH3
  877124.1737  0.0673 -4.5836 3 1307.6675D52  59516140484 876 2    83 975 2      C-13-H3C(O)CH3
  877124.1737  0.0673 -5.1884 3 1307.6675D52  59516140484 876 2    83 875 2      C-13-H3C(O)CH3
  877124.1737  0.0673 -4.5836 3 1307.6675D52  59516140484 976 2    83 875 2      C-13-H3C(O)CH3
  877124.2981  0.0708 -5.0558 3 1307.6677D52  59516140484 876 1    83 975 1      C-13-H3C(O)CH3
  877124.2981  0.0708 -4.6239 3 1307.6677D52  59516140484 976 1    83 975 1      C-13-H3C(O)CH3
  877124.2981  0.0708 -5.0558 3 1307.6677D52  59516140484 976 1    83 875 1      C-13-H3C(O)CH3
  877124.2981  0.0708 -4.6239 3 1307.6677D52  59516140484 876 1    83 875 1      C-13-H3C(O)CH3
  877146.0458  0.0435 -5.1067 3 1307.6444676  59516140484 876 3    83 975 3      C-13-H3C(O)CH3
  877146.0458  0.0435 -5.0725 3 1307.6444676  59516140484 876 3    83 875 3      C-13-H3C(O)CH3
  877146.0458  0.0435 -5.0725 3 1307.6444676  59516140484 976 3    83 975 3      C-13-H3C(O)CH3
  877146.0458  0.0435 -5.1067 3 1307.6444676  59516140484 976 3    83 875 3      C-13-H3C(O)CH3
  877146.0622  0.0435 -5.3376 3 1307.6443676  59516140484 976 4    83 875 4      C-13-H3C(O)CH3
  877146.0622  0.0435 -4.9322 3 1307.6443676  59516140484 976 4    83 975 4      C-13-H3C(O)CH3
  877146.0622  0.0435 -5.3376 3 1307.6443676  59516140484 876 4    83 975 4      C-13-H3C(O)CH3
  877146.0622  0.0435 -4.9322 3 1307.6443676  59516140484 876 4    83 875 4      C-13-H3C(O)CH3
  877267.1873  0.0790 -4.6747 3  660.4909792  595161404493317 2    483216 2      C-13-H3C(O)CH3
  877279.3785  0.0616 -4.7677 3 1133.6570A96  595161404682742 0    672741 0      C-13-H3C(O)CH3
  877279.3785  0.0616 -4.7056 3 1133.6570A96  595161404682742 0    672641 0      C-13-H3C(O)CH3
  877279.3785  0.0616 -4.7677 3 1133.6570A96  595161404682642 0    672641 0      C-13-H3C(O)CH3
  877279.3785  0.0616 -4.7056 3 1133.6570A96  595161404682642 0    672741 0      C-13-H3C(O)CH3
  877302.0318  0.0623 -4.4353 3 1133.6734A96  595161404682642 1    672741 1      C-13-H3C(O)CH3
  877302.0318  0.0623 -4.4581 3 1133.6734A96  595161404682642 1    672641 1      C-13-H3C(O)CH3
  877302.0318  0.0623 -5.7120 3 1133.6734A96  595161404682742 1    672641 1      C-13-H3C(O)CH3
  877304.2048  0.0638 -4.5777 3 1133.6747A96  595161404682642 2    672641 2      C-13-H3C(O)CH3
  877304.2048  0.0638 -4.9861 3 1133.6747A96  595161404682642 2    672741 2      C-13-H3C(O)CH3
  877304.2048  0.0638 -4.5777 3 1133.6747A96  595161404682742 2    672741 2      C-13-H3C(O)CH3
  877304.2048  0.0638 -4.9861 3 1133.6747A96  595161404682742 2    672641 2      C-13-H3C(O)CH3
  877326.8904  0.0575 -5.0770 3 1133.6911548  595161404682642 3    672641 3      C-13-H3C(O)CH3
  877326.8904  0.0575 -4.9997 3 1133.6911548  595161404682642 3    672741 3      C-13-H3C(O)CH3
  877326.8904  0.0575 -5.0770 3 1133.6911548  595161404682742 3    672741 3      C-13-H3C(O)CH3
  877326.8904  0.0575 -4.9997 3 1133.6911548  595161404682742 3    672641 3      C-13-H3C(O)CH3
  877326.9325  0.0575 -4.9954 3 1133.6911548  595161404682642 4    672641 4      C-13-H3C(O)CH3
  877326.9325  0.0575 -5.0822 3 1133.6911548  595161404682642 4    672741 4      C-13-H3C(O)CH3
  877326.9325  0.0575 -5.0822 3 1133.6911548  595161404682742 4    672641 4      C-13-H3C(O)CH3
  877326.9325  0.0575 -4.9954 3 1133.6911548  595161404682742 4    672741 4      C-13-H3C(O)CH3
  877387.5189  0.0614 -5.0792 3 1255.5344C40  595161404771761 0    761660 0      C-13-H3C(O)CH3
  877387.5189  0.0614 -4.6177 3 1255.5344C40  595161404771761 0    761760 0      C-13-H3C(O)CH3
  877387.5189  0.0614 -4.6177 3 1255.5344C40  595161404771661 0    761660 0      C-13-H3C(O)CH3
  877387.5189  0.0614 -5.0792 3 1255.5344C40  595161404771661 0    761760 0      C-13-H3C(O)CH3
  877421.2590  0.0604 -4.7615 3 1255.5430C40  595161404771661 1    761660 1      C-13-H3C(O)CH3
  877421.2590  0.0604 -4.5930 3 1255.5430C40  595161404771661 1    761760 1      C-13-H3C(O)CH3
  877421.2590  0.0604 -4.8202 3 1255.5430C40  595161404771761 1    761660 1      C-13-H3C(O)CH3
  877421.2590  0.0604 -5.1596 3 1255.5430C40  595161404771761 1    761760 1      C-13-H3C(O)CH3
  877422.0852  0.0616 -4.5329 3 1255.5431C40  595161404771761 2    761760 2      C-13-H3C(O)CH3
  877422.0852  0.0616 -5.5038 3 1255.5431C40  595161404771661 2    761760 2      C-13-H3C(O)CH3
  877422.0852  0.0616 -4.5329 3 1255.5431C40  595161404771661 2    761660 2      C-13-H3C(O)CH3
  877422.0852  0.0616 -5.5038 3 1255.5431C40  595161404771761 2    761660 2      C-13-H3C(O)CH3
  877455.8600  0.0578 -4.8696 3 1255.5517620  595161404771761 3    761760 3      C-13-H3C(O)CH3
  877455.8600  0.0578 -5.5647 3 1255.5517620  595161404771761 3    761660 3      C-13-H3C(O)CH3
  877455.8600  0.0578 -5.5647 3 1255.5517620  595161404771661 3    761760 3      C-13-H3C(O)CH3
  877455.8600  0.0578 -4.8696 3 1255.5517620  595161404771661 3    761660 3      C-13-H3C(O)CH3
  877455.9152  0.0579 -4.8749 3 1255.5517620  595161404771761 4    761660 4      C-13-H3C(O)CH3
  877455.9152  0.0579 -5.5397 3 1255.5517620  595161404771761 4    761760 4      C-13-H3C(O)CH3
  877455.9152  0.0579 -4.8749 3 1255.5517620  595161404771661 4    761760 4      C-13-H3C(O)CH3
  877455.9152  0.0579 -5.5397 3 1255.5517620  595161404771661 4    761660 4      C-13-H3C(O)CH3
  877493.6728  0.0396 -4.4195 3 1014.5459A00  595161404623230 0    613329 0      C-13-H3C(O)CH3
  877535.5614  0.0400 -4.4197 3 1014.5561A00  595161404623230 1    613329 1      C-13-H3C(O)CH3
  877539.2087  0.0236 -4.7806 3 1325.4823732  59516140491 191 4    90 190 4      C-13-H3C(O)CH3
  877539.2087  0.0236 -5.7449 3 1325.4823732  59516140491 091 4    90 190 4      C-13-H3C(O)CH3
  877539.2311  0.0236 -5.7304 3 1325.4823732  59516140491 091 3    90 090 3      C-13-H3C(O)CH3
  877539.2311  0.0236 -4.7822 3 1325.4823732  59516140491 191 3    90 090 3      C-13-H3C(O)CH3
  877539.2805  0.0236 -5.7304 3 1325.4823732 -59516140491 191 3    90 190 3      C-13-H3C(O)CH3
  877539.2805  0.0236 -4.7822 3 1325.4823732 -59516140491 091 3    90 190 3      C-13-H3C(O)CH3
  877539.2805  0.0236 -5.7449 3 1325.4823732 -59516140491 191 4    90 090 4      C-13-H3C(O)CH3
  877539.2805  0.0236 -4.7806 3 1325.4823732 -59516140491 091 4    90 090 4      C-13-H3C(O)CH3
  877541.3813  0.0431 -4.4196 3 1014.5577A00  595161404623230 2    613329 2      C-13-H3C(O)CH3
  877541.4829  0.0378 -5.1964 3 1325.4206E64 -59516140491 091 2    90 090 2      C-13-H3C(O)CH3
  877541.4829  0.0378 -4.5172 3 1325.4206E64 -59516140491 091 2    90 190 2      C-13-H3C(O)CH3
  877541.4829  0.0378 -5.1964 3 1325.4206E64 -59516140491 191 2    90 190 2      C-13-H3C(O)CH3
  877541.4829  0.0270 -5.1981 3 1325.4206E64 -59516140491 091 1    90 090 1      C-13-H3C(O)CH3
  877541.4829  0.0270 -4.4866 3 1325.4206E64 -59516140491 191 1    90 090 1      C-13-H3C(O)CH3
  877541.4829  0.0270 -4.4618 3 1325.4206E64 -59516140491 091 1    90 190 1      C-13-H3C(O)CH3
  877541.4829  0.0378 -4.5172 3 1325.4206E64 -59516140491 191 2    90 090 2      C-13-H3C(O)CH3
  877541.4829  0.0270 -6.0157 3 1325.4206E64 -59516140491 191 1    90 190 1      C-13-H3C(O)CH3
  877543.9065  0.0245 -4.6462 3 1325.3590E64  59516140491 191 0    90 190 0      C-13-H3C(O)CH3
  877543.9065  0.0245 -4.8481 3 1325.3590E64  59516140491 091 0    90 190 0      C-13-H3C(O)CH3
  877543.9476  0.0245 -4.6462 3 1325.3590E64 -59516140491 091 0    90 090 0      C-13-H3C(O)CH3
  877543.9476  0.0245 -4.8481 3 1325.3590E64 -59516140491 191 0    90 090 0      C-13-H3C(O)CH3
  877560.4794  0.0395 -4.4194 3 1014.5442A00  595161404623330 0    613229 0      C-13-H3C(O)CH3
  877570.0523  0.0556 -4.4564 3  660.4771792  595161404493317 1    483216 1      C-13-H3C(O)CH3
  877583.2129  0.0428 -4.7208 3 1014.5680500  595161404623230 3    613329 3      C-13-H3C(O)CH3
  877583.3814  0.0427 -4.7208 3 1014.5680500  595161404623230 4    613329 4      C-13-H3C(O)CH3
  877608.1790  0.0396 -4.4196 3 1014.5543A00  595161404623330 1    613229 1      C-13-H3C(O)CH3
  877612.2571  0.0418 -4.4195 3 1014.5559A00  595161404623330 2    613229 2      C-13-H3C(O)CH3
  877660.2341  0.0411 -4.7207 3 1014.5660500  595161404623330 3    613229 3      C-13-H3C(O)CH3
  877660.2439  0.0411 -4.7207 3 1014.5660500  595161404623330 4    613229 4      C-13-H3C(O)CH3
  877741.9803  0.9508 -5.5572 3 1149.9774524  595161404653926 3    644025 3      C-13-H3C(O)CH3
  877799.4694  0.8943 -5.5589 3 1149.9758524  595161404653926 4    644025 4      C-13-H3C(O)CH3
  877828.2356  0.0121 -5.9721 3  348.8833584  595161404362512 1    352214 1      C-13-H3C(O)CH3
  877828.6307  0.0111 -5.8794 3  243.7079252  595161404311913 4    301416 4      C-13-H3C(O)CH3
  877831.9579  0.0102 -5.8794 3  243.7079252  595161404311913 3    301416 3      C-13-H3C(O)CH3
  877836.2399  0.0204 -5.4883 3  348.8598292  595161404362512 4    352214 4      C-13-H3C(O)CH3
  877876.0637  0.0103 -5.5792 3  243.7235504  595161404311913 2    301416 2      C-13-H3C(O)CH3
  877897.7852  0.0102 -5.5784 3  243.7273504  595161404311913 1    301416 1      C-13-H3C(O)CH3
  877911.3829  0.0055 -3.4265 3  631.7653744 -5951614044639 8 0    4538 7 0      C-13-H3C(O)CH3
  877911.3829  0.0055 -3.4265 3  631.7653744 -5951614044639 7 0    4538 8 0      C-13-H3C(O)CH3
  877941.6430  0.0103 -5.5789 3  243.7430504  595161404311913 0    301416 0      C-13-H3C(O)CH3
  877961.6608  0.0064 -3.4266 3  631.7794744 -5951614044639 7 2    4538 7 2      C-13-H3C(O)CH3
  877965.5959  0.0219 -5.6161 3  348.8599292  595161404362512 3    352214 3      C-13-H3C(O)CH3
  878008.4536  0.0062 -3.4266 3  631.7606744 -5951614044639 8 2    4538 8 2      C-13-H3C(O)CH3
  878019.0672  0.0063 -3.4264 3  631.7859744 -5951614044639 7 1    4538 7 1      C-13-H3C(O)CH3
  878020.3980  0.0177 -5.2330 3  348.8808584  595161404362512 2    352214 2      C-13-H3C(O)CH3
  878020.9907  0.0648 -4.4447 3 1151.3093B12  595161404692544 0    682543 0      C-13-H3C(O)CH3
  878020.9907  0.0648 -4.4447 3 1151.3093B12  595161404692644 0    682643 0      C-13-H3C(O)CH3
  878043.5198  0.0656 -4.6822 3 1151.3259B12  595161404692544 1    682643 1      C-13-H3C(O)CH3
  878043.5198  0.0656 -4.8191 3 1151.3259B12  595161404692644 1    682643 1      C-13-H3C(O)CH3
  878043.5198  0.0656 -4.6822 3 1151.3259B12  595161404692644 1    682543 1      C-13-H3C(O)CH3
  878043.5198  0.0656 -4.8191 3 1151.3259B12  595161404692544 1    682543 1      C-13-H3C(O)CH3
  878045.6747  0.0669 -4.4447 3 1151.3271B12  595161404692644 2    682543 2      C-13-H3C(O)CH3
  878045.6747  0.0669 -4.4447 3 1151.3271B12  595161404692544 2    682643 2      C-13-H3C(O)CH3
  878058.6986  0.0365 -4.2228 3  650.6572396  595161404493118 3    483019 3      C-13-H3C(O)CH3
  878060.8898  0.0061 -3.4264 3  631.7485744 -5951614044639 8 1    4538 8 1      C-13-H3C(O)CH3
  878068.2355  0.0595 -5.3373 3 1151.3437556  595161404692644 3    682543 3      C-13-H3C(O)CH3
  878068.2355  0.0595 -5.3373 3 1151.3437556  595161404692544 3    682643 3      C-13-H3C(O)CH3
  878068.2355  0.0595 -4.8736 3 1151.3437556  595161404692544 3    682543 3      C-13-H3C(O)CH3
  878068.2355  0.0595 -4.8736 3 1151.3437556  595161404692644 3    682643 3      C-13-H3C(O)CH3
  878068.2778  0.0595 -5.3783 3 1151.3437556  595161404692544 4    682643 4      C-13-H3C(O)CH3
  878068.2778  0.0595 -4.8604 3 1151.3437556  595161404692644 4    682643 4      C-13-H3C(O)CH3
  878068.2778  0.0595 -5.3783 3 1151.3437556  595161404692644 4    682543 4      C-13-H3C(O)CH3
  878068.2778  0.0595 -4.8604 3 1151.3437556  595161404692544 4    682543 4      C-13-H3C(O)CH3
  878068.6945  0.0094 -3.7275 3  631.7999372  5951614044639 7 4    4538 7 4      C-13-H3C(O)CH3
  878092.4319  0.0083 -3.7459 3  660.4593792 -595161404493317 0    483216 0      C-13-H3C(O)CH3
  878110.8150  0.0088 -3.7275 3  631.7626372  5951614044639 8 3    4538 8 3      C-13-H3C(O)CH3
  878115.4824  0.0087 -3.7275 3  631.7813372  5951614044639 7 3    4538 7 3      C-13-H3C(O)CH3
  878117.7660  0.0234 -3.9254 3  650.6626792  595161404493118 0    483019 0      C-13-H3C(O)CH3
  878144.5246  0.0297 -3.9274 3  650.6590792  595161404493118 2    483019 2      C-13-H3C(O)CH3
  878150.6423  0.0234 -3.9262 3  650.6593792  595161404493118 1    483019 1      C-13-H3C(O)CH3
  878155.1450  0.0139 -4.7345 3  348.8833584  595161404362511 1    352214 1      C-13-H3C(O)CH3
  878158.0840  0.0087 -3.7275 3  631.7438372  5951614044639 8 4    4538 8 4      C-13-H3C(O)CH3
  878251.0589  0.0118 -4.7115 3  348.9041584  595161404362511 0    352214 0      C-13-H3C(O)CH3
  878293.1270  0.0244 -5.9937 3  262.7538244  5951614043027 3 4    2924 5 4      C-13-H3C(O)CH3
  878305.6218  0.0283 -4.2359 3  650.6543396  595161404493118 4    483019 4      C-13-H3C(O)CH3
  878312.9826  0.0616 -4.2394 3  660.4852396  595161404493317 3    483216 3      C-13-H3C(O)CH3
  878313.0553  0.0463 -4.7097 3 1315.4276D68  59516140485 778 0    84 877 0      C-13-H3C(O)CH3
  878313.0553  0.0463 -4.8896 3 1315.4276D68  59516140485 778 0    84 777 0      C-13-H3C(O)CH3
  878313.0553  0.0463 -4.7097 3 1315.4276D68  59516140485 878 0    84 777 0      C-13-H3C(O)CH3
  878313.0553  0.0463 -4.8896 3 1315.4276D68  59516140485 878 0    84 877 0      C-13-H3C(O)CH3
  878328.2372  0.0696 -5.2496 3 1315.3997D68  59516140485 778 2    84 877 2      C-13-H3C(O)CH3
  878328.2372  0.0696 -4.5722 3 1315.3997D68  59516140485 878 2    84 877 2      C-13-H3C(O)CH3
  878328.2372  0.0696 -5.2496 3 1315.3997D68  59516140485 878 2    84 777 2      C-13-H3C(O)CH3
  878328.2372  0.0696 -4.5722 3 1315.3997D68  59516140485 778 2    84 777 2      C-13-H3C(O)CH3
  878328.2643  0.0725 -4.5236 3 1315.3998D68  59516140485 878 1    84 877 1      C-13-H3C(O)CH3
  878328.2643  0.0725 -5.6090 3 1315.3998D68  59516140485 878 1    84 777 1      C-13-H3C(O)CH3
  878328.2643  0.0725 -4.5236 3 1315.3998D68  59516140485 778 1    84 777 1      C-13-H3C(O)CH3
  878328.2643  0.0725 -5.6090 3 1315.3998D68  59516140485 778 1    84 877 1      C-13-H3C(O)CH3
  878343.4565  0.0415 -5.3818 3 1315.3719684  59516140485 778 3    84 877 3      C-13-H3C(O)CH3
  878343.4565  0.0415 -5.3818 3 1315.3719684  59516140485 878 3    84 777 3      C-13-H3C(O)CH3
  878343.4565  0.0415 -4.9188 3 1315.3719684  59516140485 878 3    84 877 3      C-13-H3C(O)CH3
  878343.4565  0.0415 -4.9188 3 1315.3719684  59516140485 778 3    84 777 3      C-13-H3C(O)CH3
  878343.4573  0.0416 -4.7949 3 1315.3719684  59516140485 878 4    84 877 4      C-13-H3C(O)CH3
  878343.4573  0.0416 -4.8131 3 1315.3719684  59516140485 778 4    84 777 4      C-13-H3C(O)CH3
  878489.6895  0.0580 -4.4998 3 1267.5883C56  595161404781663 0    771562 0      C-13-H3C(O)CH3
  878489.6895  0.0580 -4.4998 3 1267.5883C56  595161404781563 0    771662 0      C-13-H3C(O)CH3
  878515.3369  0.0241 -5.1352 3  348.8599292  595161404362511 3    352214 3      C-13-H3C(O)CH3
  878524.4470  0.0571 -5.2862 3 1267.5946C56  595161404781563 1    771662 1      C-13-H3C(O)CH3
  878524.4470  0.0571 -4.5104 3 1267.5946C56  595161404781563 1    771562 1      C-13-H3C(O)CH3
  878524.4470  0.0571 -5.9993 3 1267.5946C56  595161404781663 1    771562 1      C-13-H3C(O)CH3
  878524.4470  0.0571 -4.5735 3 1267.5946C56  595161404781663 1    771662 1      C-13-H3C(O)CH3
  878525.0342  0.0580 -5.3994 3 1267.5947C56  595161404781663 2    771562 2      C-13-H3C(O)CH3
  878525.0342  0.0580 -4.5057 3 1267.5947C56  595161404781663 2    771662 2      C-13-H3C(O)CH3
  878525.0342  0.0580 -4.5546 3 1267.5947C56  595161404781563 2    771562 2      C-13-H3C(O)CH3
  878559.8255  0.0564 -4.8652 3 1267.6010628  595161404781563 3    771662 3      C-13-H3C(O)CH3
  878559.8255  0.0564 -5.6389 3 1267.6010628  595161404781563 3    771562 3      C-13-H3C(O)CH3
  878559.8255  0.0564 -5.6389 3 1267.6010628  595161404781663 3    771662 3      C-13-H3C(O)CH3
  878559.8255  0.0564 -4.8652 3 1267.6010628  595161404781663 3    771562 3      C-13-H3C(O)CH3
  878559.8809  0.0564 -4.8695 3 1267.6010628  595161404781663 4    771662 4      C-13-H3C(O)CH3
  878559.8809  0.0564 -4.7982 3 1267.6010628  595161404781563 4    771562 4      C-13-H3C(O)CH3
  878559.8809  0.0564 -5.6139 3 1267.6010628  595161404781563 4    771662 4      C-13-H3C(O)CH3
  878562.0559  0.0379 -5.6564 3  408.8299632  595161404392613 2    382315 2      C-13-H3C(O)CH3
  878597.8394  0.0218 -5.9902 3  262.7336244  5951614043027 4 3    2924 6 3      C-13-H3C(O)CH3
  878650.5906  0.0285 -5.1873 3  348.8598292  595161404362511 4    352214 4      C-13-H3C(O)CH3
  878687.7032  0.0105 -3.8396 3  660.4771792 -595161404493316 1    483216 1      C-13-H3C(O)CH3
  878700.8349  0.0231 -4.8674 3  348.8808584  595161404362511 2    352214 2      C-13-H3C(O)CH3
  878714.5620  0.0108 -3.7997 3  660.4909792  595161404493316 2    483216 2      C-13-H3C(O)CH3
  878740.1724  0.0453 -5.7188 3  408.8108316  595161404392613 4    382315 4      C-13-H3C(O)CH3
  878758.6662  0.7323 -5.2546 3 1149.9523A48  595161404653926 1    644025 1      C-13-H3C(O)CH3
  878796.0246  0.0181 -4.4906 3  660.4852396  595161404493316 3    483216 3      C-13-H3C(O)CH3
  878841.5807  0.0676 -5.5652 3 1168.3808B28  595161404702446 0    692545 0      C-13-H3C(O)CH3
  878841.5807  0.0676 -5.5652 3 1168.3808B28  595161404702546 0    692445 0      C-13-H3C(O)CH3
  878841.5807  0.0676 -4.4894 3 1168.3808B28  595161404702446 0    692445 0      C-13-H3C(O)CH3
  878841.5807  0.0676 -4.4894 3 1168.3808B28  595161404702546 0    692545 0      C-13-H3C(O)CH3
  878849.9449  0.0206 -5.6937 3  262.7786488  5951614043027 4 1    2924 5 1      C-13-H3C(O)CH3
  878864.3886  0.0685 -4.5701 3 1168.3974B28  595161404702446 1    692445 1      C-13-H3C(O)CH3
  878864.3886  0.0685 -5.0855 3 1168.3974B28  595161404702446 1    692545 1      C-13-H3C(O)CH3
  878864.3886  0.0685 -5.0855 3 1168.3974B28  595161404702546 1    692445 1      C-13-H3C(O)CH3
  878864.3886  0.0685 -4.5701 3 1168.3974B28  595161404702546 1    692545 1      C-13-H3C(O)CH3
  878866.5208  0.0697 -4.4931 3 1168.3985B28  595161404702446 2    692545 2      C-13-H3C(O)CH3
  878866.5208  0.0697 -5.5229 3 1168.3985B28  595161404702446 2    692445 2      C-13-H3C(O)CH3
  878866.5208  0.0697 -5.5229 3 1168.3985B28  595161404702546 2    692545 2      C-13-H3C(O)CH3
  878866.5208  0.0697 -4.4931 3 1168.3985B28  595161404702546 2    692445 2      C-13-H3C(O)CH3
  878871.9240  0.0134 -4.0648 3  660.5162396  595161404493316 4    483216 4      C-13-H3C(O)CH3
  878889.3604  0.0611 -5.0630 3 1168.4152564  595161404702446 3    692445 3      C-13-H3C(O)CH3
  878889.3604  0.0611 -5.0500 3 1168.4152564  595161404702446 3    692545 3      C-13-H3C(O)CH3
  878889.3604  0.0611 -5.0630 3 1168.4152564  595161404702546 3    692545 3      C-13-H3C(O)CH3
  878889.3604  0.0611 -5.0500 3 1168.4152564  595161404702546 3    692445 3      C-13-H3C(O)CH3
  878889.4034  0.0612 -4.9876 3 1168.4152564  595161404702446 4    692445 4      C-13-H3C(O)CH3
  878889.4034  0.0612 -4.9876 3 1168.4152564  595161404702546 4    692545 4      C-13-H3C(O)CH3
  878889.4034  0.0612 -5.1383 3 1168.4152564  595161404702546 4    692445 4      C-13-H3C(O)CH3
  878889.4034  0.0612 -5.1383 3 1168.4152564  595161404702446 4    692545 4      C-13-H3C(O)CH3
  878897.4403  0.0101 -3.8390 3  660.4329792 -595161404493317 1    483217 1      C-13-H3C(O)CH3
  878912.4006  0.0194 -5.6963 3  262.7950488  5951614043027 3 2    2924 5 2      C-13-H3C(O)CH3
  878935.8465  0.0096 -3.7989 3  660.4352792 -595161404493317 2    483217 2      C-13-H3C(O)CH3
  878987.4742  0.0222 -5.9930 3  262.7365244  5951614043027 3 3    2924 5 3      C-13-H3C(O)CH3
  879011.0617  0.0173 -5.6518 3  679.9513808  595161404503218 1    493118 1      C-13-H3C(O)CH3
  879072.0829  0.0114 -4.0637 3  660.4264396  595161404493317 4    483217 4      C-13-H3C(O)CH3
  879107.2113  1.0258 -5.2538 3 1149.9504A48  595161404653926 2    644025 2      C-13-H3C(O)CH3
  879113.9542  0.0227 -5.3969 3  679.9508808  595161404503218 2    493118 2      C-13-H3C(O)CH3
  879147.6962  0.0165 -4.4899 3  660.4574396  595161404493317 3    483217 3      C-13-H3C(O)CH3
  879199.4129  0.0082 -3.7450 3  660.4341792  595161404493316 0    483217 0      C-13-H3C(O)CH3
  879215.3316  0.0204 -5.6927 3  262.7747488  5951614043027 4 2    2924 6 2      C-13-H3C(O)CH3
  879258.1657  0.0053 -3.5030 3  639.2230760 -595161404473710 0    463611 0      C-13-H3C(O)CH3
  879258.1657  0.0053 -3.5030 3  639.2230760 -595161404473711 0    463610 0      C-13-H3C(O)CH3
  879289.3387  0.0061 -3.5032 3  639.2499760 -595161404473710 2    463610 2      C-13-H3C(O)CH3
  879289.4659  0.0243 -5.9894 3  262.7163244  5951614043027 4 4    2924 6 4      C-13-H3C(O)CH3
  879345.7303  0.0061 -3.5030 3  639.2421760 -595161404473710 1    463610 1      C-13-H3C(O)CH3
  879376.4646  0.0060 -3.5030 3  639.2315760 -595161404473711 2    463611 2      C-13-H3C(O)CH3
  879376.6943  0.0088 -3.8042 3  639.2690380  595161404473710 4    463610 4      C-13-H3C(O)CH3
  879390.4430  0.0061 -3.5030 3  639.2140760 -595161404473711 1    463611 1      C-13-H3C(O)CH3
  879417.9594  0.0291 -5.2361 3  679.9514404  595161404503218 4    493118 4      C-13-H3C(O)CH3
  879421.8801  0.0081 -3.8042 3  639.2409380  595161404473711 3    463611 3      C-13-H3C(O)CH3
  879440.1251  0.0174 -6.0284 3  239.0723488  5951614043022 9 0    291712 0      C-13-H3C(O)CH3
  879464.1448  0.0079 -3.8041 3  639.2507380  595161404473710 3    463610 3      C-13-H3C(O)CH3
  879464.9579  0.0418 -4.4436 3  992.1014984  595161404613328 0    603427 0      C-13-H3C(O)CH3
  879472.7261  0.0204 -5.6972 3  262.8195488  5951614043027 4 0    2924 5 0      C-13-H3C(O)CH3
  879472.7517  0.0204 -5.6972 3  262.8195488  5951614043027 3 0    2924 6 0      C-13-H3C(O)CH3
  879486.8962  0.0427 -4.4440 3  992.1089984  595161404613328 1    603427 1      C-13-H3C(O)CH3
  879503.1823  0.0507 -4.4439 3  992.1103984  595161404613328 2    603427 2      C-13-H3C(O)CH3
  879509.2994  0.0082 -3.8040 3  639.2224380  595161404473711 4    463611 4      C-13-H3C(O)CH3
  879512.2603  0.0160 -5.4841 3  269.5440520  595161404322211 1    311714 1      C-13-H3C(O)CH3
  879523.4966  0.0503 -4.7453 3  992.1179492  595161404613328 3    603427 3      C-13-H3C(O)CH3
  879524.6630  0.0496 -4.7453 3  992.1179492  595161404613328 4    603427 4      C-13-H3C(O)CH3
  879537.1538  0.0448 -5.2727 3 1322.6331D84  59516140486 780 0    85 779 0      C-13-H3C(O)CH3
  879537.1538  0.0448 -5.2727 3 1322.6331D84  59516140486 680 0    85 679 0      C-13-H3C(O)CH3
  879537.1538  0.0448 -4.5692 3 1322.6331D84  59516140486 680 0    85 779 0      C-13-H3C(O)CH3
  879537.1538  0.0448 -4.5692 3 1322.6331D84  59516140486 780 0    85 679 0      C-13-H3C(O)CH3
  879542.7593  0.0204 -5.6929 3  262.7612488  5951614043027 3 1    2924 6 1      C-13-H3C(O)CH3
  879544.3649  0.0695 -6.0039 3 1322.6016D84  59516140486 680 1    85 679 1      C-13-H3C(O)CH3
  879544.3649  0.0695 -4.5042 3 1322.6016D84  59516140486 680 1    85 779 1      C-13-H3C(O)CH3
  879544.3649  0.0695 -6.0039 3 1322.6016D84  59516140486 780 1    85 779 1      C-13-H3C(O)CH3
  879544.3649  0.0695 -4.5042 3 1322.6016D84  59516140486 780 1    85 679 1      C-13-H3C(O)CH3
  879544.4396  0.0673 -4.8125 3 1322.6015D84  59516140486 780 2    85 679 2      C-13-H3C(O)CH3
  879544.4396  0.0673 -4.7719 3 1322.6015D84  59516140486 780 2    85 779 2      C-13-H3C(O)CH3
  879544.4396  0.0673 -4.7719 3 1322.6015D84  59516140486 680 2    85 679 2      C-13-H3C(O)CH3
  879544.4396  0.0673 -4.8125 3 1322.6015D84  59516140486 680 2    85 779 2      C-13-H3C(O)CH3
  879551.6441  0.0385 -4.8136 3 1322.5698692  59516140486 780 4    85 779 4      C-13-H3C(O)CH3
  879551.6441  0.0385 -4.8136 3 1322.5698692  59516140486 680 4    85 679 4      C-13-H3C(O)CH3
  879551.6604  0.0385 -5.1153 3 1322.5699692  59516140486 680 3    85 779 3      C-13-H3C(O)CH3
  879551.6604  0.0385 -5.0712 3 1322.5699692  59516140486 780 3    85 779 3      C-13-H3C(O)CH3
  879551.6604  0.0385 -5.1153 3 1322.5699692  59516140486 780 3    85 679 3      C-13-H3C(O)CH3
  879551.6604  0.0385 -5.0712 3 1322.5699692  59516140486 680 3    85 679 3      C-13-H3C(O)CH3
  879606.9985  1.2331 -6.0361 3 1340.3451564  595161404704327 3    694426 3      C-13-H3C(O)CH3
  879607.3184  0.0542 -5.8154 3 1279.1029C72  595161404791565 0    781564 0      C-13-H3C(O)CH3
  879607.3184  0.0542 -5.8154 3 1279.1029C72  595161404791465 0    781464 0      C-13-H3C(O)CH3
  879607.3184  0.0542 -4.5255 3 1279.1029C72  595161404791465 0    781564 0      C-13-H3C(O)CH3
  879607.3184  0.0542 -4.5255 3 1279.1029C72  595161404791565 0    781464 0      C-13-H3C(O)CH3
  879613.6194  0.0187 -5.7957 3  269.5199260  595161404322211 3    311714 3      C-13-H3C(O)CH3
  879622.3189  1.1175 -6.0382 3 1340.3448564  595161404704327 4    694426 4      C-13-H3C(O)CH3
  879630.7382  0.0634 -4.2383 3  660.4574396  595161404493316 3    483217 3      C-13-H3C(O)CH3
  879642.7526  0.0542 -5.7130 3 1279.1065C72  595161404791565 1    781564 1      C-13-H3C(O)CH3
  879642.7526  0.0542 -4.5315 3 1279.1065C72  595161404791465 1    781564 1      C-13-H3C(O)CH3
  879642.7526  0.0542 -5.7130 3 1279.1065C72  595161404791465 1    781464 1      C-13-H3C(O)CH3
  879642.7526  0.0542 -4.5315 3 1279.1065C72  595161404791565 1    781464 1      C-13-H3C(O)CH3
  879643.1092  0.0546 -4.6750 3 1279.1064C72  595161404791465 2    781464 2      C-13-H3C(O)CH3
  879643.1092  0.0546 -4.9908 3 1279.1064C72  595161404791465 2    781564 2      C-13-H3C(O)CH3
  879643.1092  0.0546 -4.6750 3 1279.1064C72  595161404791565 2    781564 2      C-13-H3C(O)CH3
  879643.1092  0.0546 -4.9908 3 1279.1064C72  595161404791565 2    781464 2      C-13-H3C(O)CH3
  879643.1104  0.0191 -5.7785 3  269.5201260  595161404322211 4    311714 4      C-13-H3C(O)CH3
  879678.5760  0.0548 -4.8468 3 1279.1100636  595161404791565 3    781564 3      C-13-H3C(O)CH3
  879678.5760  0.0548 -5.8402 3 1279.1100636  595161404791565 3    781464 3      C-13-H3C(O)CH3
  879678.5760  0.0548 -5.8402 3 1279.1100636  595161404791465 3    781564 3      C-13-H3C(O)CH3
  879678.5760  0.0548 -4.8468 3 1279.1100636  595161404791465 3    781464 3      C-13-H3C(O)CH3
  879678.6308  0.0549 -5.7425 3 1279.1100636  595161404791565 4    781564 4      C-13-H3C(O)CH3
  879678.6308  0.0549 -5.7425 3 1279.1100636  595161404791465 4    781464 4      C-13-H3C(O)CH3
  879678.6308  0.0549 -4.8580 3 1279.1100636  595161404791465 4    781564 4      C-13-H3C(O)CH3
  879678.6308  0.0549 -4.8580 3 1279.1100636  595161404791565 4    781464 4      C-13-H3C(O)CH3
  879723.2476  0.0700 -4.5134 3 1184.8801B44  595161404712448 0    702447 0      C-13-H3C(O)CH3
  879723.2476  0.0700 -5.4399 3 1184.8801B44  595161404712348 0    702447 0      C-13-H3C(O)CH3
  879723.2476  0.0700 -4.5134 3 1184.8801B44  595161404712348 0    702347 0      C-13-H3C(O)CH3
  879723.2476  0.0700 -5.4399 3 1184.8801B44  595161404712448 0    702347 0      C-13-H3C(O)CH3
  879746.6732  0.0710 -6.0081 3 1184.8967B44  595161404712448 1    702347 1      C-13-H3C(O)CH3
  879746.6732  0.0710 -4.4774 3 1184.8967B44  595161404712448 1    702447 1      C-13-H3C(O)CH3
  879746.6732  0.0710 -4.4774 3 1184.8967B44  595161404712348 1    702347 1      C-13-H3C(O)CH3
  879746.6732  0.0710 -6.0081 3 1184.8967B44  595161404712348 1    702447 1      C-13-H3C(O)CH3
  879748.7642  0.0720 -4.5375 3 1184.8976B44  595161404712348 2    702347 2      C-13-H3C(O)CH3
  879748.7642  0.0720 -5.2767 3 1184.8976B44  595161404712348 2    702447 2      C-13-H3C(O)CH3
  879748.7642  0.0720 -4.5375 3 1184.8976B44  595161404712448 2    702447 2      C-13-H3C(O)CH3
  879748.7642  0.0720 -5.2767 3 1184.8976B44  595161404712448 2    702347 2      C-13-H3C(O)CH3
  879772.2216  0.0625 -4.9270 3 1184.9142572  595161404712448 3    702447 3      C-13-H3C(O)CH3
  879772.2216  0.0625 -4.9270 3 1184.9142572  595161404712348 3    702347 3      C-13-H3C(O)CH3
  879772.2216  0.0625 -5.2745 3 1184.9142572  595161404712348 3    702447 3      C-13-H3C(O)CH3
  879772.2216  0.0625 -5.2745 3 1184.9142572  595161404712448 3    702347 3      C-13-H3C(O)CH3
  879772.2656  0.0625 -5.4916 3 1184.9142572  595161404712448 4    702347 4      C-13-H3C(O)CH3
  879772.2656  0.0625 -4.8563 3 1184.9142572  595161404712348 4    702347 4      C-13-H3C(O)CH3
  879772.2656  0.0625 -5.4916 3 1184.9142572  595161404712348 4    702447 4      C-13-H3C(O)CH3
  879772.2656  0.0625 -4.8563 3 1184.9142572  595161404712448 4    702447 4      C-13-H3C(O)CH3
  879861.3523  0.0060 -3.6016 3  648.6522776 -595161404483514 0    473413 0      C-13-H3C(O)CH3
  879864.3954  0.0060 -3.6016 3  648.6522776 -595161404483513 0    473414 0      C-13-H3C(O)CH3
  879876.2328  0.1203 -4.2476 3  788.3671872  595161404543322 0    533221 0      C-13-H3C(O)CH3
  879917.4208  0.0063 -3.6019 3  648.6924776 -595161404483513 2    473413 2      C-13-H3C(O)CH3
  879925.5240  0.0140 -5.4649 3  269.5583520  595161404322211 0    311714 0      C-13-H3C(O)CH3
  879952.0296  0.0066 -3.6017 3  648.6763776 -595161404483513 1    473413 1      C-13-H3C(O)CH3
  880003.6313  0.0071 -3.6016 3  648.6481776 -595161404483514 1    473414 1      C-13-H3C(O)CH3
  880007.0220  0.0086 -3.9030 3  648.7164388  595161404483513 4    473413 4      C-13-H3C(O)CH3
  880015.1161  0.0584 -4.4545 3  660.4329792  595161404493316 1    483217 1      C-13-H3C(O)CH3
  880028.4320  0.0067 -3.6014 3  648.6611776 -595161404483514 2    473414 2      C-13-H3C(O)CH3
  880050.7642  0.0143 -5.4676 3  269.5342520  595161404322211 2    311714 2      C-13-H3C(O)CH3
  880058.9242  0.0089 -3.9031 3  648.6882388  595161404483513 3    473413 3      C-13-H3C(O)CH3
  880096.6430  0.7866 -5.2514 3 1149.9262A48  595161404653926 0    644025 0      C-13-H3C(O)CH3
  880118.0873  0.0087 -3.9028 3  648.6852388  595161404483514 3    473414 3      C-13-H3C(O)CH3
  880169.7028  0.0096 -3.9023 3  648.6568388  595161404483514 4    473414 4      C-13-H3C(O)CH3
  880214.4728  0.9057 -5.7358 3 1340.3179B28  595161404704327 1    694426 1      C-13-H3C(O)CH3
  880243.1393  0.0138 -3.3061 3  630.6127712 -5951614044444 1 0    4343 1 0      C-13-H3C(O)CH3
  880243.1393  0.0138 -3.3061 3  630.6127712 -5951614044444 0 0    4343 0 0      C-13-H3C(O)CH3
  880309.9055  0.0079 -4.5313 3  306.5545300  595161404371325 4    361026 4      C-13-H3C(O)CH3
  880309.9055  0.0079 -4.5313 3  306.5545300  595161404371225 4    361126 4      C-13-H3C(O)CH3
  880310.3823  0.0074 -4.5265 3  306.5545300  595161404371325 3    361026 3      C-13-H3C(O)CH3
  880310.3823  0.0074 -4.5202 3  306.5545300  595161404371225 3    361126 3      C-13-H3C(O)CH3
  880368.1996  0.0147 -3.3061 3  630.6768712 -5951614044444 0 1    4343 0 1      C-13-H3C(O)CH3
  880382.8750  0.0834 -4.6723 3  660.4352792  595161404493316 2    483217 2      C-13-H3C(O)CH3
  880431.5983  0.0168 -3.3060 3  630.6486712 -5951614044444 0 2    4343 0 2      C-13-H3C(O)CH3
  880447.8476  0.0073 -5.8368 3  306.5745600  595161404371325 2    361126 2      C-13-H3C(O)CH3
  880447.8476  0.0073 -4.2282 3  306.5745600  595161404371325 2    361026 2      C-13-H3C(O)CH3
  880447.8476  0.0073 -5.8368 3  306.5745600  595161404371225 2    361026 2      C-13-H3C(O)CH3
  880447.8476  0.0073 -4.2282 3  306.5745600  595161404371225 2    361126 2      C-13-H3C(O)CH3
  880456.7311  0.0074 -4.7864 3  306.5757600  595161404371225 1    361126 1      C-13-H3C(O)CH3
  880456.7311  0.0074 -4.7864 3  306.5757600  595161404371325 1    361026 1      C-13-H3C(O)CH3
  880456.7311  0.0074 -4.3543 3  306.5757600  595161404371325 1    361126 1      C-13-H3C(O)CH3
  880456.7311  0.0074 -4.3543 3  306.5757600  595161404371225 1    361026 1      C-13-H3C(O)CH3
  880458.0180  0.0161 -3.3058 3  630.5760712 -5951614044444 1 2    4343 1 2      C-13-H3C(O)CH3
  880516.4524  0.0147 -3.3058 3  630.6082712 -5951614044444 1 1    4343 1 1      C-13-H3C(O)CH3
  880557.5294  0.0223 -3.6070 3  630.7127356  5951614044444 0 4    4343 0 4      C-13-H3C(O)CH3
  880583.3413  0.0226 -3.6069 3  630.6400356  5951614044444 1 3    4343 1 3      C-13-H3C(O)CH3
  880593.9787  0.0066 -4.2193 3  306.5956600  595161404371225 0    361126 0      C-13-H3C(O)CH3
  880593.9787  0.0066 -4.9463 3  306.5956600  595161404371225 0    361026 0      C-13-H3C(O)CH3
  880593.9787  0.0066 -4.3074 3  306.5956600  595161404371325 0    361026 0      C-13-H3C(O)CH3
  880615.1357  0.1031 -4.2460 3  788.3476872  595161404543322 1    533221 1      C-13-H3C(O)CH3
  880619.4352  1.2502 -5.7339 3 1340.3098B28  595161404704327 2    694426 2      C-13-H3C(O)CH3
  880653.1928  0.0718 -4.5253 3 1200.8142B60  595161404722250 0    712349 0      C-13-H3C(O)CH3
  880653.1928  0.0718 -5.4384 3 1200.8142B60  595161404722250 0    712249 0      C-13-H3C(O)CH3
  880653.1928  0.0718 -5.4384 3 1200.8142B60  595161404722350 0    712349 0      C-13-H3C(O)CH3
  880653.1928  0.0718 -4.5253 3 1200.8142B60  595161404722350 0    712249 0      C-13-H3C(O)CH3
  880677.5221  0.0728 -5.7397 3 1200.8304B60  595161404722250 1    712349 1      C-13-H3C(O)CH3
  880677.5221  0.0728 -4.4996 3 1200.8304B60  595161404722250 1    712249 1      C-13-H3C(O)CH3
  880677.5221  0.0728 -5.7397 3 1200.8304B60  595161404722350 1    712249 1      C-13-H3C(O)CH3
  880677.5221  0.0728 -4.4996 3 1200.8304B60  595161404722350 1    712349 1      C-13-H3C(O)CH3
  880679.5444  0.0738 -5.4177 3 1200.8313B60  595161404722250 2    712349 2      C-13-H3C(O)CH3
  880679.5444  0.0738 -4.5279 3 1200.8313B60  595161404722250 2    712249 2      C-13-H3C(O)CH3
  880679.5444  0.0738 -4.5279 3 1200.8313B60  595161404722350 2    712349 2      C-13-H3C(O)CH3
  880679.5444  0.0738 -5.4177 3 1200.8313B60  595161404722350 2    712249 2      C-13-H3C(O)CH3
  880703.9059  0.0635 -4.7766 3 1200.8475580  595161404722250 3    712249 3      C-13-H3C(O)CH3
  880703.9059  0.0635 -4.7766 3 1200.8475580  595161404722350 3    712349 3      C-13-H3C(O)CH3
  880703.9512  0.0635 -5.2346 3 1200.8476580  595161404722350 4    712249 4      C-13-H3C(O)CH3
  880703.9512  0.0635 -4.9622 3 1200.8476580  595161404722350 4    712349 4      C-13-H3C(O)CH3
  880703.9512  0.0635 -5.2346 3 1200.8476580  595161404722250 4    712349 4      C-13-H3C(O)CH3
  880703.9512  0.0635 -4.9622 3 1200.8476580  595161404722250 4    712249 4      C-13-H3C(O)CH3
  880705.3557  0.0236 -3.6068 3  630.6440356  5951614044444 0 3    4343 0 3      C-13-H3C(O)CH3
  880730.8811  0.0245 -3.6066 3  630.5715356  5951614044444 1 4    4343 1 4      C-13-H3C(O)CH3
  880739.5260  0.0505 -4.5165 3 1290.0799C88  595161404801367 0    791366 0      C-13-H3C(O)CH3
  880739.5260  0.0505 -4.5165 3 1290.0799C88  595161404801467 0    791466 0      C-13-H3C(O)CH3
  880770.9722  0.0339 -4.7923 3 1329.2398700  59516140487 682 4    86 581 4      C-13-H3C(O)CH3
  880770.9722  0.0339 -4.7923 3 1329.2398700  59516140487 582 4    86 681 4      C-13-H3C(O)CH3
  880771.0044  0.0339 -4.7977 3 1329.2398700  59516140487 582 3    86 681 3      C-13-H3C(O)CH3
  880771.0044  0.0339 -4.7977 3 1329.2398700  59516140487 682 3    86 581 3      C-13-H3C(O)CH3
  880772.6292  0.0604 -4.6733 3 1329.2735E00  59516140487 582 1    86 681 1      C-13-H3C(O)CH3
  880772.6292  0.0604 -4.9568 3 1329.2735E00  59516140487 582 1    86 581 1      C-13-H3C(O)CH3
  880772.6292  0.0604 -4.6733 3 1329.2735E00  59516140487 682 1    86 581 1      C-13-H3C(O)CH3
  880772.6292  0.0604 -4.9568 3 1329.2735E00  59516140487 682 1    86 681 1      C-13-H3C(O)CH3
  880772.7701  0.0593 -5.0660 3 1329.2734E00  59516140487 682 2    86 681 2      C-13-H3C(O)CH3
  880772.7701  0.0593 -4.6257 3 1329.2734E00  59516140487 582 2    86 681 2      C-13-H3C(O)CH3
  880772.7701  0.0593 -5.0660 3 1329.2734E00  59516140487 582 2    86 581 2      C-13-H3C(O)CH3
  880772.7701  0.0593 -4.6257 3 1329.2734E00  59516140487 682 2    86 581 2      C-13-H3C(O)CH3
  880774.4050  0.0401 -4.8913 3 1329.3070E00  59516140487 682 0    86 681 0      C-13-H3C(O)CH3
  880774.4050  0.0401 -4.7119 3 1329.3070E00  59516140487 682 0    86 581 0      C-13-H3C(O)CH3
  880774.4050  0.0401 -4.7119 3 1329.3070E00  59516140487 582 0    86 681 0      C-13-H3C(O)CH3
  880774.4050  0.0401 -4.8913 3 1329.3070E00  59516140487 582 0    86 581 0      C-13-H3C(O)CH3
  880775.1450  0.0528 -5.8935 3 1290.0803C88  595161404801467 1    791466 1      C-13-H3C(O)CH3
  880775.1450  0.0528 -5.8935 3 1290.0803C88  595161404801367 1    791366 1      C-13-H3C(O)CH3
  880775.1450  0.0528 -4.5287 3 1290.0803C88  595161404801467 1    791366 1      C-13-H3C(O)CH3
  880775.1450  0.0528 -4.5287 3 1290.0803C88  595161404801367 1    791466 1      C-13-H3C(O)CH3
  880775.2937  0.0521 -4.7790 3 1290.0801C88  595161404801367 2    791366 2      C-13-H3C(O)CH3
  880775.2937  0.0521 -4.8464 3 1290.0801C88  595161404801467 2    791366 2      C-13-H3C(O)CH3
  880775.2937  0.0521 -4.7790 3 1290.0801C88  595161404801467 2    791466 2      C-13-H3C(O)CH3
  880775.2937  0.0521 -4.8464 3 1290.0801C88  595161404801367 2    791466 2      C-13-H3C(O)CH3
  880786.1782  0.1628 -4.2457 3  788.3414872  595161404543322 2    533221 2      C-13-H3C(O)CH3
  880810.9432  0.0532 -4.8130 3 1290.0805644  595161404801367 3    791366 3      C-13-H3C(O)CH3
  880810.9432  0.0532 -4.8130 3 1290.0805644  595161404801467 3    791466 3      C-13-H3C(O)CH3
  880810.9966  0.0532 -4.8296 3 1290.0805644  595161404801367 4    791466 4      C-13-H3C(O)CH3
  880810.9966  0.0532 -4.8296 3 1290.0805644  595161404801467 4    791366 4      C-13-H3C(O)CH3
  881046.0376  0.0440 -4.4417 3  992.0618984  595161404613428 0    603327 0      C-13-H3C(O)CH3
  881155.2720  0.0392 -4.4419 3  992.0690984  595161404613428 2    603327 2      C-13-H3C(O)CH3
  881156.1087  0.0400 -4.4419 3  992.0672984  595161404613428 1    603327 1      C-13-H3C(O)CH3
  881224.0710  0.9495 -5.7335 3 1340.2828B28  595161404704327 0    694426 0      C-13-H3C(O)CH3
  881266.7069  0.0319 -4.7432 3  992.0744492  595161404613428 4    603327 4      C-13-H3C(O)CH3
  881267.5055  0.0321 -4.7432 3  992.0744492  595161404613428 3    603327 3      C-13-H3C(O)CH3
  881489.9715  0.1383 -4.5455 3  788.3226436  595161404543322 4    533221 4      C-13-H3C(O)CH3
  881552.9839  0.1509 -4.5446 3  788.3217436  595161404543322 3    533221 3      C-13-H3C(O)CH3
  881562.9510  0.1127 -5.4192 3  660.4264396  595161404493316 4    483217 4      C-13-H3C(O)CH3
  881622.0978  0.0730 -4.4885 3 1216.1885B76  595161404732152 0    722251 0      C-13-H3C(O)CH3
  881622.0978  0.0730 -4.4857 3 1216.1885B76  595161404732252 0    722151 0      C-13-H3C(O)CH3
  881647.5688  0.0738 -5.3546 3 1216.2042B76  595161404732152 1    722251 1      C-13-H3C(O)CH3
  881647.5688  0.0738 -4.5488 3 1216.2042B76  595161404732252 1    722251 1      C-13-H3C(O)CH3
  881647.5688  0.0738 -5.3546 3 1216.2042B76  595161404732252 1    722151 1      C-13-H3C(O)CH3
  881647.5688  0.0738 -4.5488 3 1216.2042B76  595161404732152 1    722151 1      C-13-H3C(O)CH3
  881649.4893  0.0749 -4.8208 3 1216.2050B76  595161404732252 2    722251 2      C-13-H3C(O)CH3
  881649.4893  0.0749 -4.7551 3 1216.2050B76  595161404732252 2    722151 2      C-13-H3C(O)CH3
  881649.4893  0.0749 -4.7551 3 1216.2050B76  595161404732152 2    722251 2      C-13-H3C(O)CH3
  881649.4893  0.0749 -4.8208 3 1216.2050B76  595161404732152 2    722151 2      C-13-H3C(O)CH3
  881674.9929  0.0642 -5.0963 3 1216.2208588  595161404732252 3    722151 3      C-13-H3C(O)CH3
  881674.9929  0.0642 -5.0794 3 1216.2208588  595161404732252 3    722251 3      C-13-H3C(O)CH3
  881674.9929  0.0642 -5.0794 3 1216.2208588  595161404732152 3    722151 3      C-13-H3C(O)CH3
  881674.9929  0.0642 -5.0963 3 1216.2208588  595161404732152 3    722251 3      C-13-H3C(O)CH3
  881675.0396  0.0642 -5.1002 3 1216.2208588  595161404732252 4    722151 4      C-13-H3C(O)CH3
  881675.0396  0.0642 -5.0757 3 1216.2208588  595161404732152 4    722151 4      C-13-H3C(O)CH3
  881675.0396  0.0642 -5.1002 3 1216.2208588  595161404732152 4    722251 4      C-13-H3C(O)CH3
  881675.0396  0.0642 -5.0757 3 1216.2208588  595161404732252 4    722251 4      C-13-H3C(O)CH3
  881885.7399  0.0475 -5.5623 3 1300.5207D04  595161404811269 0    801268 0      C-13-H3C(O)CH3
  881885.7399  0.0475 -4.5573 3 1300.5207D04  595161404811369 0    801268 0      C-13-H3C(O)CH3
  881885.7399  0.0475 -4.5573 3 1300.5207D04  595161404811269 0    801368 0      C-13-H3C(O)CH3
  881885.7399  0.0475 -5.5623 3 1300.5207D04  595161404811369 0    801368 0      C-13-H3C(O)CH3
  881920.8559  0.0518 -4.5190 3 1300.5172D04  595161404811269 2    801268 2      C-13-H3C(O)CH3
  881920.8559  0.0518 -4.5190 3 1300.5172D04  595161404811369 2    801368 2      C-13-H3C(O)CH3
  881920.8778  0.0537 -5.5715 3 1300.5174D04  595161404811269 1    801368 1      C-13-H3C(O)CH3
  881920.8778  0.0537 -4.5564 3 1300.5174D04  595161404811269 1    801268 1      C-13-H3C(O)CH3
  881920.8778  0.0537 -4.5564 3 1300.5174D04  595161404811369 1    801368 1      C-13-H3C(O)CH3
  881920.8778  0.0537 -5.5715 3 1300.5174D04  595161404811369 1    801268 1      C-13-H3C(O)CH3
  881956.0215  0.0517 -5.0309 3 1300.5139652  595161404811369 3    801368 3      C-13-H3C(O)CH3
  881956.0215  0.0517 -5.2280 3 1300.5139652  595161404811369 3    801268 3      C-13-H3C(O)CH3
  881956.0215  0.0517 -5.2280 3 1300.5139652  595161404811269 3    801368 3      C-13-H3C(O)CH3
  881956.0215  0.0517 -5.0309 3 1300.5139652  595161404811269 3    801268 3      C-13-H3C(O)CH3
  881956.0722  0.0517 -4.8252 3 1300.5138652  595161404811369 4    801368 4      C-13-H3C(O)CH3
  881956.0722  0.0517 -4.8252 3 1300.5138652  595161404811269 4    801268 4      C-13-H3C(O)CH3
  881957.1386  0.0072 -4.0654 3  371.9746632  595161404391722 2    381623 2      C-13-H3C(O)CH3
  881957.3075  0.0072 -4.0654 3  371.9746632  595161404391822 2    381523 2      C-13-H3C(O)CH3
  881959.2389  0.0061 -4.0655 3  372.0033632  595161404391722 0    381623 0      C-13-H3C(O)CH3
  881959.3947  0.0061 -4.0655 3  372.0033632  595161404391822 0    381523 0      C-13-H3C(O)CH3
  881969.1709  0.0079 -4.3662 3  371.9480316  595161404391722 4    381623 4      C-13-H3C(O)CH3
  881969.3450  0.0079 -4.3662 3  371.9480316  595161404391822 4    381523 4      C-13-H3C(O)CH3
  881969.3503  0.0079 -4.3662 3  371.9480316  595161404391722 3    381623 3      C-13-H3C(O)CH3
  881969.5253  0.0079 -4.3662 3  371.9480316  595161404391822 3    381523 3      C-13-H3C(O)CH3
  881971.3832  0.0069 -4.0654 3  371.9767632  595161404391722 1    381623 1      C-13-H3C(O)CH3
  881971.5445  0.0069 -4.0654 3  371.9767632  595161404391822 1    381523 1      C-13-H3C(O)CH3
  882002.1473  0.0278 -5.1155 3 1335.3836708  59516140488 484 4    87 483 4      C-13-H3C(O)CH3
  882002.1473  0.0278 -5.0717 3 1335.3836708  59516140488 484 4    87 583 4      C-13-H3C(O)CH3
  882002.1473  0.0278 -5.1155 3 1335.3836708  59516140488 584 4    87 583 4      C-13-H3C(O)CH3
  882002.1473  0.0278 -5.0717 3 1335.3836708  59516140488 584 4    87 483 4      C-13-H3C(O)CH3
  882002.1883  0.0278 -5.2190 3 1335.3836708  59516140488 484 3    87 483 3      C-13-H3C(O)CH3
  882002.1883  0.0278 -4.9955 3 1335.3836708  59516140488 484 3    87 583 3      C-13-H3C(O)CH3
  882002.1883  0.0278 -5.2190 3 1335.3836708  59516140488 584 3    87 583 3      C-13-H3C(O)CH3
  882002.1883  0.0278 -4.9955 3 1335.3836708  59516140488 584 3    87 483 3      C-13-H3C(O)CH3
  882010.3274  0.0454 -4.5047 3 1335.4161E16 -59516140488 584 1    87 483 1      C-13-H3C(O)CH3
  882010.3274  0.0455 -5.2617 3 1335.4159E16 -59516140488 584 2    87 483 2      C-13-H3C(O)CH3
  882010.3274  0.0455 -4.5717 3 1335.4159E16 -59516140488 484 2    87 483 2      C-13-H3C(O)CH3
  882010.3274  0.0454 -6.0003 3 1335.4161E16 -59516140488 484 1    87 483 1      C-13-H3C(O)CH3
  882013.0121  0.0454 -4.5047 3 1335.4161E16  59516140488 484 1    87 583 1      C-13-H3C(O)CH3
  882013.0121  0.0454 -6.0003 3 1335.4161E16  59516140488 584 1    87 583 1      C-13-H3C(O)CH3
  882013.1424  0.0455 -4.5717 3 1335.4159E16  59516140488 584 2    87 583 2      C-13-H3C(O)CH3
  882013.1424  0.0455 -5.2617 3 1335.4159E16  59516140488 484 2    87 583 2      C-13-H3C(O)CH3
  882023.9750  0.0318 -4.9193 3 1335.4484E16  59516140488 584 0    87 483 0      C-13-H3C(O)CH3
  882023.9750  0.0318 -4.9193 3 1335.4484E16  59516140488 484 0    87 583 0      C-13-H3C(O)CH3
  882023.9750  0.0318 -4.6939 3 1335.4484E16  59516140488 584 0    87 583 0      C-13-H3C(O)CH3
  882023.9750  0.0318 -4.6939 3 1335.4484E16  59516140488 484 0    87 483 0      C-13-H3C(O)CH3
  882210.9818  0.0062 -3.3556 3  634.1931728 -5951614044542 4 0    4441 3 0      C-13-H3C(O)CH3
  882210.9818  0.0062 -3.3556 3  634.1931728 -5951614044542 3 0    4441 4 0      C-13-H3C(O)CH3
  882331.1373  0.0074 -3.3555 3  634.2082728 -5951614044542 3 2    4441 3 2      C-13-H3C(O)CH3
  882339.9421  0.0069 -3.3555 3  634.2332728 -5951614044542 3 1    4441 3 1      C-13-H3C(O)CH3
  882344.1794  0.0069 -3.3554 3  634.1659728 -5951614044542 4 2    4441 4 2      C-13-H3C(O)CH3
  882423.2063  0.0067 -3.3553 3  634.1765728 -5951614044542 4 1    4441 4 1      C-13-H3C(O)CH3
  882460.0910  0.0114 -3.6564 3  634.2481364  5951614044542 3 4    4441 3 4      C-13-H3C(O)CH3
  882472.6503  0.0106 -3.6564 3  634.2059364  5951614044542 3 3    4441 3 3      C-13-H3C(O)CH3
  882532.6091  0.0100 -4.8580 3  269.6895292  595161404361027 4    35 828 4      C-13-H3C(O)CH3
  882532.6091  0.0100 -5.1862 3  269.6895292  59516140436 927 4    35 828 4      C-13-H3C(O)CH3
  882532.6091  0.0100 -5.1862 3  269.6895292  595161404361027 4    35 728 4      C-13-H3C(O)CH3
  882532.6091  0.0100 -4.8580 3  269.6895292  59516140436 927 4    35 728 4      C-13-H3C(O)CH3
  882533.1600  0.0089 -4.7791 3  269.6895292  595161404361027 3    35 728 3      C-13-H3C(O)CH3
  882533.1600  0.0089 -5.4256 3  269.6895292  59516140436 927 3    35 728 3      C-13-H3C(O)CH3
  882533.1600  0.0089 -4.7791 3  269.6895292  59516140436 927 3    35 828 3      C-13-H3C(O)CH3
  882533.1600  0.0089 -5.4256 3  269.6895292  595161404361027 3    35 828 3      C-13-H3C(O)CH3
  882542.6880  0.0108 -3.6563 3  634.1915364  5951614044542 4 3    4441 4 3      C-13-H3C(O)CH3
  882555.7367  0.0107 -3.6562 3  634.1493364  5951614044542 4 4    4441 4 4      C-13-H3C(O)CH3
  882623.0824  0.0734 -4.5548 3 1231.0076B92  595161404742154 0    732153 0      C-13-H3C(O)CH3
  882623.0824  0.0734 -4.5548 3 1231.0076B92  595161404742054 0    732053 0      C-13-H3C(O)CH3
  882623.0824  0.0734 -5.3926 3 1231.0076B92  595161404742054 0    732153 0      C-13-H3C(O)CH3
  882623.0824  0.0734 -5.3926 3 1231.0076B92  595161404742154 0    732053 0      C-13-H3C(O)CH3
  882649.8840  0.0740 -5.6540 3 1231.0227B92  595161404742054 1    732053 1      C-13-H3C(O)CH3
  882649.8840  0.0740 -4.5272 3 1231.0227B92  595161404742054 1    732153 1      C-13-H3C(O)CH3
  882649.8840  0.0740 -5.6540 3 1231.0227B92  595161404742154 1    732153 1      C-13-H3C(O)CH3
  882649.8840  0.0740 -4.5272 3 1231.0227B92  595161404742154 1    732053 1      C-13-H3C(O)CH3
  882651.6670  0.0752 -4.5242 3 1231.0233B92  595161404742154 2    732053 2      C-13-H3C(O)CH3
  882651.6670  0.0752 -5.6965 3 1231.0233B92  595161404742054 2    732053 2      C-13-H3C(O)CH3
  882651.6670  0.0752 -4.5242 3 1231.0233B92  595161404742054 2    732153 2      C-13-H3C(O)CH3
  882651.6670  0.0752 -5.6965 3 1231.0233B92  595161404742154 2    732153 2      C-13-H3C(O)CH3
  882678.5017  0.0644 -4.8604 3 1231.0385596  595161404742054 3    732153 3      C-13-H3C(O)CH3
  882678.5017  0.0644 -5.6640 3 1231.0385596  595161404742054 3    732053 3      C-13-H3C(O)CH3
  882678.5017  0.0644 -5.6640 3 1231.0385596  595161404742154 3    732153 3      C-13-H3C(O)CH3
  882678.5017  0.0644 -4.8604 3 1231.0385596  595161404742154 3    732053 3      C-13-H3C(O)CH3
  882678.5499  0.0645 -4.8390 3 1231.0385596  595161404742154 4    732153 4      C-13-H3C(O)CH3
  882678.5499  0.0645 -5.8325 3 1231.0385596  595161404742054 4    732153 4      C-13-H3C(O)CH3
  882678.5499  0.0645 -5.8325 3 1231.0385596  595161404742154 4    732053 4      C-13-H3C(O)CH3
  882678.5499  0.0645 -4.8390 3 1231.0385596  595161404742054 4    732053 4      C-13-H3C(O)CH3
  882821.9531  0.0078 -4.9610 3  269.6971584  59516140436 927 2    35 728 2      C-13-H3C(O)CH3
  882821.9531  0.0078 -4.5249 3  269.6971584  59516140436 927 2    35 828 2      C-13-H3C(O)CH3
  882821.9531  0.0078 -4.9610 3  269.6971584  595161404361027 2    35 828 2      C-13-H3C(O)CH3
  882821.9531  0.0078 -4.5249 3  269.6971584  595161404361027 2    35 728 2      C-13-H3C(O)CH3
  882828.6975  0.0082 -4.8694 3  269.6979584  59516140436 927 1    35 828 1      C-13-H3C(O)CH3
  882828.6975  0.0082 -4.5641 3  269.6979584  59516140436 927 1    35 728 1      C-13-H3C(O)CH3
  882828.6975  0.0082 -4.5641 3  269.6979584  595161404361027 1    35 828 1      C-13-H3C(O)CH3
  882828.6975  0.0082 -4.8694 3  269.6979584  595161404361027 1    35 728 1      C-13-H3C(O)CH3
  883045.6354  0.0458 -5.0607 3 1310.4268D20  595161404821171 0    811270 0      C-13-H3C(O)CH3
  883045.6354  0.0458 -4.6698 3 1310.4268D20  595161404821171 0    811170 0      C-13-H3C(O)CH3
  883045.6354  0.0458 -4.6698 3 1310.4268D20  595161404821271 0    811270 0      C-13-H3C(O)CH3
  883045.6354  0.0458 -5.0607 3 1310.4268D20  595161404821271 0    811170 0      C-13-H3C(O)CH3
  883079.2916  0.0543 -4.8973 3 1310.4190D20  595161404821271 2    811270 2      C-13-H3C(O)CH3
  883079.2916  0.0543 -4.7590 3 1310.4190D20  595161404821271 2    811170 2      C-13-H3C(O)CH3
  883079.2916  0.0543 -4.7590 3 1310.4190D20  595161404821171 2    811270 2      C-13-H3C(O)CH3
  883079.2916  0.0543 -4.8973 3 1310.4190D20  595161404821171 2    811170 2      C-13-H3C(O)CH3
  883079.4337  0.0573 -4.5257 3 1310.4192D20  595161404821271 1    811270 1      C-13-H3C(O)CH3
  883079.4337  0.0573 -4.5257 3 1310.4192D20  595161404821171 1    811170 1      C-13-H3C(O)CH3
  883113.1141  0.0503 -4.8402 3 1310.4115660  595161404821171 3    811270 3      C-13-H3C(O)CH3
  883113.1141  0.0503 -4.8402 3 1310.4115660  595161404821271 3    811170 3      C-13-H3C(O)CH3
  883113.1604  0.0503 -4.8473 3 1310.4115660  595161404821171 4    811170 4      C-13-H3C(O)CH3
  883113.1604  0.0503 -4.8473 3 1310.4115660  595161404821271 4    811270 4      C-13-H3C(O)CH3
  883116.9728  0.0076 -4.4150 3  269.7055584  59516140436 927 0    35 828 0      C-13-H3C(O)CH3
  883116.9728  0.0076 -5.6255 3  269.7055584  59516140436 927 0    35 728 0      C-13-H3C(O)CH3
  883116.9728  0.0076 -5.6255 3  269.7055584  595161404361027 0    35 828 0      C-13-H3C(O)CH3
  883116.9728  0.0076 -4.4150 3  269.7055584  595161404361027 0    35 728 0      C-13-H3C(O)CH3
  883246.3872  0.0206 -4.8449 3 1341.0036716  59516140489 486 4    88 385 4      C-13-H3C(O)CH3
  883246.3872  0.0206 -5.7240 3 1341.0036716  59516140489 486 4    88 485 4      C-13-H3C(O)CH3
  883246.3872  0.0206 -4.8449 3 1341.0036716  59516140489 386 4    88 485 4      C-13-H3C(O)CH3
  883246.3872  0.0206 -5.7240 3 1341.0036716  59516140489 386 4    88 385 4      C-13-H3C(O)CH3
  883246.4223  0.0206 -4.7916 3 1341.0035716  59516140489 386 3    88 385 3      C-13-H3C(O)CH3
  883246.4223  0.0206 -4.7916 3 1341.0035716  59516140489 486 3    88 485 3      C-13-H3C(O)CH3
  883265.2935  0.0272 -4.9566 3 1341.0297E32  59516140489 386 1    88 485 1      C-13-H3C(O)CH3
  883265.2935  0.0272 -4.6714 3 1341.0297E32  59516140489 386 1    88 385 1      C-13-H3C(O)CH3
  883265.2935  0.0272 -4.6714 3 1341.0297E32  59516140489 486 1    88 485 1      C-13-H3C(O)CH3
  883265.2935  0.0272 -4.9566 3 1341.0297E32  59516140489 486 1    88 385 1      C-13-H3C(O)CH3
  883265.3146  0.0292 -4.5245 3 1341.0293E32  59516140489 486 2    88 385 2      C-13-H3C(O)CH3
  883265.3146  0.0292 -5.6066 3 1341.0293E32  59516140489 486 2    88 485 2      C-13-H3C(O)CH3
  883265.3146  0.0292 -4.5245 3 1341.0293E32  59516140489 386 2    88 485 2      C-13-H3C(O)CH3
  883265.3146  0.0292 -5.6066 3 1341.0293E32  59516140489 386 2    88 385 2      C-13-H3C(O)CH3
  883284.1860  0.0213 -4.5498 3 1341.0554E32  59516140489 486 0    88 385 0      C-13-H3C(O)CH3
  883284.1860  0.0213 -5.3811 3 1341.0554E32  59516140489 386 0    88 385 0      C-13-H3C(O)CH3
  883284.1860  0.0213 -4.5498 3 1341.0554E32  59516140489 386 0    88 485 0      C-13-H3C(O)CH3
  883284.1860  0.0213 -5.3811 3 1341.0554E32  59516140489 486 0    88 485 0      C-13-H3C(O)CH3
  883651.0147  0.0730 -5.0214 3 1245.2753C08  595161404752056 0    742055 0      C-13-H3C(O)CH3
  883651.0147  0.0730 -4.6639 3 1245.2753C08  595161404751956 0    742055 0      C-13-H3C(O)CH3
  883651.0147  0.0730 -4.5997 3 1245.2753C08  595161404752056 0    741955 0      C-13-H3C(O)CH3
  883651.0147  0.0730 -5.2172 3 1245.2753C08  595161404751956 0    741955 0      C-13-H3C(O)CH3
  883679.2822  0.0733 -4.5104 3 1245.2896C08  595161404752056 1    742055 1      C-13-H3C(O)CH3
  883679.2822  0.0733 -4.5104 3 1245.2896C08  595161404751956 1    741955 1      C-13-H3C(O)CH3
  883680.8924  0.0746 -5.1041 3 1245.2901C08  595161404751956 2    741955 2      C-13-H3C(O)CH3
  883680.8924  0.0746 -4.6321 3 1245.2901C08  595161404751956 2    742055 2      C-13-H3C(O)CH3
  883680.8924  0.0746 -5.1041 3 1245.2901C08  595161404752056 2    742055 2      C-13-H3C(O)CH3
  883680.8924  0.0746 -4.6321 3 1245.2901C08  595161404752056 2    741955 2      C-13-H3C(O)CH3
  883709.1935  0.0643 -4.8338 3 1245.3043604  595161404752056 3    741955 3      C-13-H3C(O)CH3
  883709.1935  0.0643 -4.8147 3 1245.3043604  595161404751956 3    742055 3      C-13-H3C(O)CH3
  883709.1935  0.0643 -6.0292 3 1245.3043604  595161404751956 3    741955 3      C-13-H3C(O)CH3
  883709.2432  0.0643 -5.0392 3 1245.3043604  595161404751956 4    741955 4      C-13-H3C(O)CH3
  883709.2432  0.0643 -5.1896 3 1245.3043604  595161404751956 4    742055 4      C-13-H3C(O)CH3
  883709.2432  0.0643 -5.1896 3 1245.3043604  595161404752056 4    741955 4      C-13-H3C(O)CH3
  883709.2432  0.0643 -5.0392 3 1245.3043604  595161404752056 4    742055 4      C-13-H3C(O)CH3
  883808.1719  0.0151 -5.5314 3  232.1661284  59516140435 629 4    34 430 4      C-13-H3C(O)CH3
  883808.1719  0.0151 -5.1227 3  232.1661284  59516140435 629 4    34 530 4      C-13-H3C(O)CH3
  883808.1719  0.0151 -5.5314 3  232.1661284  59516140435 729 4    34 530 4      C-13-H3C(O)CH3
  883808.1719  0.0151 -5.1227 3  232.1661284  59516140435 729 4    34 430 4      C-13-H3C(O)CH3
  883808.5226  0.0135 -5.8166 3  232.1660284  59516140435 729 3    34 530 3      C-13-H3C(O)CH3
  883808.5226  0.0135 -5.0479 3  232.1660284  59516140435 729 3    34 430 3      C-13-H3C(O)CH3
  883808.5226  0.0135 -5.8166 3  232.1660284  59516140435 629 3    34 430 3      C-13-H3C(O)CH3
  883808.5226  0.0135 -5.0479 3  232.1660284  59516140435 629 3    34 530 3      C-13-H3C(O)CH3
  883960.1850  0.0114 -4.6903 3  362.9233600  595161404372413 0    362116 0      C-13-H3C(O)CH3
  884019.3750  0.0055 -3.4140 3  639.3593744  5951614044640 6 0    4539 6 0      C-13-H3C(O)CH3
  884019.3750  0.0055 -3.4140 3  639.3593744  5951614044640 7 0    4539 7 0      C-13-H3C(O)CH3
  884025.2536  0.0114 -4.6899 3  362.9017600  595161404372413 1    362116 1      C-13-H3C(O)CH3
  884079.8548  0.0066 -3.4140 3  639.3717744 -5951614044640 6 2    4539 6 2      C-13-H3C(O)CH3
  884117.5953  0.0063 -3.4140 3  639.3497744 -5951614044640 7 2    4539 7 2      C-13-H3C(O)CH3
  884129.2128  0.0064 -3.4139 3  639.3839744 -5951614044640 6 1    4539 6 1      C-13-H3C(O)CH3
  884181.4147  0.0062 -3.4139 3  639.3423744 -5951614044640 7 1    4539 7 1      C-13-H3C(O)CH3
  884184.9456  0.0117 -4.6914 3  362.8958600  595161404372413 2    362116 2      C-13-H3C(O)CH3
  884189.0862  0.0097 -3.7150 3  639.3962372  5951614044640 6 4    4539 6 4      C-13-H3C(O)CH3
  884219.0831  0.0458 -4.5737 3 1319.7993D36  595161404831073 0    821072 0      C-13-H3C(O)CH3
  884219.0831  0.0458 -5.5117 3 1319.7993D36  595161404831073 0    821172 0      C-13-H3C(O)CH3
  884219.0831  0.0458 -4.5737 3 1319.7993D36  595161404831173 0    821172 0      C-13-H3C(O)CH3
  884219.0831  0.0458 -5.5117 3 1319.7993D36  595161404831173 0    821072 0      C-13-H3C(O)CH3
  884226.7474  0.0090 -3.7150 3  639.3744372  5951614044640 6 3    4539 6 3      C-13-H3C(O)CH3
  884233.4647  0.0110 -4.9910 3  362.8741300  595161404372413 3    362116 3      C-13-H3C(O)CH3
  884241.2190  0.0092 -3.7149 3  639.3547372  5951614044640 7 3    4539 7 3      C-13-H3C(O)CH3
  884250.2779  0.0593 -5.2915 3 1319.7869D36  595161404831173 2    821172 2      C-13-H3C(O)CH3
  884250.2779  0.0593 -4.6080 3 1319.7869D36  595161404831173 2    821072 2      C-13-H3C(O)CH3
  884250.2779  0.0593 -4.6080 3 1319.7869D36  595161404831073 2    821172 2      C-13-H3C(O)CH3
  884250.2779  0.0593 -5.2915 3 1319.7869D36  595161404831073 2    821072 2      C-13-H3C(O)CH3
  884250.4803  0.0631 -5.6108 3 1319.7871D36  595161404831173 1    821072 1      C-13-H3C(O)CH3
  884250.4803  0.0631 -4.5635 3 1319.7871D36  595161404831173 1    821172 1      C-13-H3C(O)CH3
  884250.4803  0.0631 -4.5635 3 1319.7871D36  595161404831073 1    821072 1      C-13-H3C(O)CH3
  884250.4803  0.0631 -5.6108 3 1319.7871D36  595161404831073 1    821172 1      C-13-H3C(O)CH3
  884258.9126  0.0121 -4.9928 3  362.8740300  595161404372413 4    362116 4      C-13-H3C(O)CH3
  884274.0983  0.0165 -5.4038 3  302.8258268  5951614043326 7 3    3223 9 3      C-13-H3C(O)CH3
  884275.7100  0.0184 -5.4013 3  302.8258268  5951614043326 7 4    3223 9 4      C-13-H3C(O)CH3
  884279.4974  0.0091 -3.7149 3  639.3328372  5951614044640 7 4    4539 7 4      C-13-H3C(O)CH3
  884281.6951  0.0491 -4.8358 3 1319.7747668  595161404831173 3    821172 3      C-13-H3C(O)CH3
  884281.6951  0.0491 -4.8358 3 1319.7747668  595161404831073 3    821072 3      C-13-H3C(O)CH3
  884281.7349  0.0491 -5.7736 3 1319.7747668  595161404831173 4    821172 4      C-13-H3C(O)CH3
  884281.7349  0.0491 -4.8794 3 1319.7747668  595161404831073 4    821172 4      C-13-H3C(O)CH3
  884281.7349  0.0491 -5.7736 3 1319.7747668  595161404831073 4    821072 4      C-13-H3C(O)CH3
  884281.7349  0.0491 -4.8794 3 1319.7747668  595161404831173 4    821072 4      C-13-H3C(O)CH3
  884315.6176  0.0117 -4.8899 3  232.1510568  59516140435 729 2    34 430 2      C-13-H3C(O)CH3
  884315.6176  0.0117 -4.9924 3  232.1510568  59516140435 729 2    34 530 2      C-13-H3C(O)CH3
  884315.6176  0.0117 -5.0908 3  232.1510568  59516140435 629 2    34 430 2      C-13-H3C(O)CH3
  884315.6176  0.0117 -4.9656 3  232.1510568  59516140435 629 2    34 530 2      C-13-H3C(O)CH3
  884320.0429  0.0128 -4.9827 3  232.1516568  59516140435 629 1    34 430 1      C-13-H3C(O)CH3
  884320.0429  0.0128 -4.9752 3  232.1516568  59516140435 629 1    34 530 1      C-13-H3C(O)CH3
  884320.0429  0.0128 -4.8154 3  232.1516568  59516140435 729 1    34 430 1      C-13-H3C(O)CH3
  884320.0429  0.0128 -5.2444 3  232.1516568  59516140435 729 1    34 530 1      C-13-H3C(O)CH3
  884340.5237  0.0174 -4.0320 3  460.5616680  595161404422319 2    412220 2      C-13-H3C(O)CH3
  884379.4948  0.0186 -4.3328 3  460.5391340  595161404422319 3    412220 3      C-13-H3C(O)CH3
  884382.0820  0.0187 -4.3328 3  460.5390340  595161404422319 4    412220 4      C-13-H3C(O)CH3
  884382.3262  0.0103 -4.0322 3  460.5882680 -595161404422319 0    412220 0      C-13-H3C(O)CH3
  884418.2632  0.0150 -5.1002 3  302.8465536  5951614043326 7 1    3223 9 1      C-13-H3C(O)CH3
  884422.1955  0.0103 -4.0319 3  460.5657680  595161404422319 1    412220 1      C-13-H3C(O)CH3
  884424.0519  0.0245 -5.5867 3  194.0203276  59516140434 431 3    33 132 3      C-13-H3C(O)CH3
  884424.0519  0.0245 -5.5867 3  194.0203276  59516140434 331 3    33 232 3      C-13-H3C(O)CH3
  884424.5683  0.0264 -5.7709 3  194.0204276  59516140434 431 4    33 232 4      C-13-H3C(O)CH3
  884424.5683  0.0264 -6.0477 3  194.0204276  59516140434 431 4    33 132 4      C-13-H3C(O)CH3
  884424.5683  0.0264 -5.7709 3  194.0204276  59516140434 331 4    33 132 4      C-13-H3C(O)CH3
  884424.5683  0.0264 -6.0477 3  194.0204276  59516140434 331 4    33 232 4      C-13-H3C(O)CH3
  884505.5973  0.0148 -5.2264 3 1346.1025724 -59516140490 388 3    89 387 3      C-13-H3C(O)CH3
  884505.5973  0.0148 -5.2264 3 1346.1025724 -59516140490 288 3    89 287 3      C-13-H3C(O)CH3
  884505.5973  0.0148 -4.8855 3 1346.1026724 -59516140490 388 4    89 387 4      C-13-H3C(O)CH3
  884505.5973  0.0148 -5.4902 3 1346.1026724 -59516140490 288 4    89 387 4      C-13-H3C(O)CH3
  884505.6523  0.0148 -5.4902 3 1346.1026724  59516140490 388 4    89 287 4      C-13-H3C(O)CH3
  884505.6523  0.0148 -4.8855 3 1346.1026724  59516140490 288 4    89 287 4      C-13-H3C(O)CH3
  884505.6613  0.0148 -4.9866 3 1346.1025724  59516140490 388 3    89 287 3      C-13-H3C(O)CH3
  884505.6613  0.0148 -4.9866 3 1346.1025724  59516140490 288 3    89 387 3      C-13-H3C(O)CH3
  884528.7804  0.0205 -4.7004 3 1346.1136E48  59516140490 288 2    89 387 2      C-13-H3C(O)CH3
  884528.7804  0.0205 -4.9008 3 1346.1136E48  59516140490 388 2    89 387 2      C-13-H3C(O)CH3
  884528.7804  0.0205 -4.7004 3 1346.1136E48  59516140490 388 2    89 287 2      C-13-H3C(O)CH3
  884528.7804  0.0205 -4.9008 3 1346.1136E48  59516140490 288 2    89 287 2      C-13-H3C(O)CH3
  884528.8999  0.0164 -4.8493 3 1346.1141E48 -59516140490 388 1    89 287 1      C-13-H3C(O)CH3
  884528.8999  0.0164 -4.8011 3 1346.1141E48 -59516140490 288 1    89 287 1      C-13-H3C(O)CH3
  884528.9315  0.0164 -4.7363 3 1346.1141E48  59516140490 388 1    89 387 1      C-13-H3C(O)CH3
  884528.9315  0.0164 -4.7775 3 1346.1141E48  59516140490 288 1    89 387 1      C-13-H3C(O)CH3
  884552.0289  0.0137 -4.5155 3 1346.1251E48  59516140490 288 0    89 387 0      C-13-H3C(O)CH3
  884552.0289  0.0137 -5.7026 3 1346.1251E48  59516140490 388 0    89 387 0      C-13-H3C(O)CH3
  884552.2052  0.0137 -5.7026 3 1346.1251E48 -59516140490 288 0    89 287 0      C-13-H3C(O)CH3
  884552.2052  0.0137 -4.5155 3 1346.1251E48 -59516140490 388 0    89 287 0      C-13-H3C(O)CH3
  884670.6426  0.0171 -5.3973 3  302.8124268  5951614043326 8 4    322310 4      C-13-H3C(O)CH3
  884672.1453  0.0164 -5.4056 3  302.8125268  5951614043326 8 3    322310 3      C-13-H3C(O)CH3
  884702.0433  0.0718 -5.1485 3 1258.9950C24  595161404761858 0    751957 0      C-13-H3C(O)CH3
  884702.0433  0.0718 -4.6305 3 1258.9950C24  595161404761958 0    751957 0      C-13-H3C(O)CH3
  884702.0433  0.0718 -5.4935 3 1258.9950C24  595161404761958 0    751857 0      C-13-H3C(O)CH3
  884702.0433  0.0718 -4.5637 3 1258.9950C24  595161404761858 0    751857 0      C-13-H3C(O)CH3
  884709.4626  0.0224 -5.3732 3  302.8522536  5951614043326 8 2    3223 9 2      C-13-H3C(O)CH3
  884714.5879  0.0210 -5.4186 3  302.8522536  5951614043326 7 2    3223 9 2      C-13-H3C(O)CH3
  884731.8498  0.0716 -4.5193 3 1259.0081C24  595161404761958 1    751957 1      C-13-H3C(O)CH3
  884731.8498  0.0716 -4.5193 3 1259.0081C24  595161404761858 1    751857 1      C-13-H3C(O)CH3
  884733.2549  0.0731 -4.5154 3 1259.0085C24  595161404761958 2    751957 2      C-13-H3C(O)CH3
  884733.2549  0.0731 -4.5154 3 1259.0085C24  595161404761858 2    751857 2      C-13-H3C(O)CH3
  884763.0954  0.0637 -5.2915 3 1259.0215612  595161404761958 3    751957 3      C-13-H3C(O)CH3
  884763.0954  0.0637 -4.9936 3 1259.0215612  595161404761858 3    751957 3      C-13-H3C(O)CH3
  884763.0954  0.0637 -5.2915 3 1259.0215612  595161404761858 3    751857 3      C-13-H3C(O)CH3
  884763.0954  0.0637 -4.9936 3 1259.0215612  595161404761958 3    751857 3      C-13-H3C(O)CH3
  884763.1464  0.0638 -4.9594 3 1259.0215612  595161404761858 4    751857 4      C-13-H3C(O)CH3
  884763.1464  0.0638 -4.9594 3 1259.0215612  595161404761958 4    751957 4      C-13-H3C(O)CH3
  884763.1464  0.0638 -5.3686 3 1259.0215612  595161404761858 4    751957 4      C-13-H3C(O)CH3
  884763.1464  0.0638 -5.3686 3 1259.0215612  595161404761958 4    751857 4      C-13-H3C(O)CH3
  884797.2489  0.0134 -5.6482 3  679.5211808  595161404503219 1    493119 1      C-13-H3C(O)CH3
  884798.0013  0.0227 -5.4155 3  302.8493536  5951614043326 8 2    322310 2      C-13-H3C(O)CH3
  884803.1266  0.0207 -5.3760 3  302.8493536  5951614043326 7 2    322310 2      C-13-H3C(O)CH3
  884809.7274  0.0145 -5.0990 3  302.8332536  5951614043326 8 1    322310 1      C-13-H3C(O)CH3
  884822.6132  0.0129 -5.3932 3  679.5220808  595161404503219 2    493119 2      C-13-H3C(O)CH3
  884826.1216  0.0111 -4.6872 3  232.1366568  59516140435 729 0    34 430 0      C-13-H3C(O)CH3
  884826.1216  0.0111 -4.6872 3  232.1366568  59516140435 629 0    34 530 0      C-13-H3C(O)CH3
  884855.3535  0.0146 -5.0954 3  302.8727536  5951614043326 8 0    3223 9 0      C-13-H3C(O)CH3
  884892.2128  0.0166 -5.2325 3  679.5204404  595161404503219 4    493119 4      C-13-H3C(O)CH3
  884943.9172  0.0146 -5.0954 3  302.8697536  5951614043326 7 0    322310 0      C-13-H3C(O)CH3
  884977.6885  0.0517 -4.4438 3 1086.1704A48  595161404653035 0    643134 0      C-13-H3C(O)CH3
  884977.6999  0.0517 -4.4438 3 1086.1704A48  595161404653135 0    643034 0      C-13-H3C(O)CH3
  885003.5326  0.0520 -4.4439 3 1086.1852A48  595161404653035 1    643134 1      C-13-H3C(O)CH3
  885003.5467  0.0520 -4.4439 3 1086.1852A48  595161404653135 1    643034 1      C-13-H3C(O)CH3
  885006.0633  0.0547 -4.4439 3 1086.1869A48  595161404653035 2    643134 2      C-13-H3C(O)CH3
  885006.0758  0.0547 -4.4439 3 1086.1869A48  595161404653135 2    643034 2      C-13-H3C(O)CH3
  885008.1094  0.1751 -4.3916 3  876.2359920  595161404573424 0    563323 0      C-13-H3C(O)CH3
  885031.9489  0.0518 -4.7450 3 1086.2017524  595161404653035 3    643134 3      C-13-H3C(O)CH3
  885031.9644  0.0518 -4.7450 3 1086.2017524  595161404653135 3    643034 3      C-13-H3C(O)CH3
  885031.9923  0.0518 -4.7450 3 1086.2018524  595161404653035 4    643134 4      C-13-H3C(O)CH3
  885032.0077  0.0518 -4.7450 3 1086.2018524  595161404653135 4    643034 4      C-13-H3C(O)CH3
  885083.3759  0.0557 -4.4486 3 1106.3009A64  595161404662937 0    653036 0      C-13-H3C(O)CH3
  885083.3761  0.0557 -4.4486 3 1106.3009A64  595161404663037 0    652936 0      C-13-H3C(O)CH3
  885106.3816  0.0561 -4.4487 3 1106.3166A64  595161404662937 1    653036 1      C-13-H3C(O)CH3
  885106.3819  0.0561 -4.4487 3 1106.3166A64  595161404663037 1    652936 1      C-13-H3C(O)CH3
  885108.7039  0.0585 -4.4487 3 1106.3182A64  595161404662937 2    653036 2      C-13-H3C(O)CH3
  885108.7041  0.0585 -4.4487 3 1106.3182A64  595161404663037 2    652936 2      C-13-H3C(O)CH3
  885131.7450  0.0545 -4.7498 3 1106.3339532  595161404662937 3    653036 3      C-13-H3C(O)CH3
  885131.7453  0.0545 -4.7498 3 1106.3339532  595161404663037 3    652936 3      C-13-H3C(O)CH3
  885131.7842  0.0545 -4.7498 3 1106.3340532  595161404662937 4    653036 4      C-13-H3C(O)CH3
  885131.7845  0.0545 -4.7498 3 1106.3340532  595161404663037 4    652936 4      C-13-H3C(O)CH3
  885238.4480  0.0301 -5.3283 3  193.9681552  59516140434 331 2    33 232 2      C-13-H3C(O)CH3
  885238.4480  0.0301 -5.3283 3  193.9681552  59516140434 431 2    33 132 2      C-13-H3C(O)CH3
  885240.1777  0.0317 -5.2847 3  193.9685552  59516140434 331 1    33 132 1      C-13-H3C(O)CH3
  885240.1777  0.0317 -5.2847 3  193.9685552  59516140434 431 1    33 232 1      C-13-H3C(O)CH3
  885260.0237  0.0477 -4.4427 3 1065.3605A32  595161404643133 0    633232 0      C-13-H3C(O)CH3
  885260.5577  0.0477 -4.4427 3 1065.3605A32  595161404643233 0    633132 0      C-13-H3C(O)CH3
  885290.3844  0.0480 -4.4428 3 1065.3740A32  595161404643133 1    633232 1      C-13-H3C(O)CH3
  885291.0028  0.0480 -4.4428 3 1065.3740A32  595161404643233 1    633132 1      C-13-H3C(O)CH3
  885293.3834  0.0509 -4.4428 3 1065.3757A32  595161404643133 2    633232 2      C-13-H3C(O)CH3
  885293.9615  0.0509 -4.4428 3 1065.3757A32  595161404643233 2    633132 2      C-13-H3C(O)CH3
  885323.7955  0.0490 -4.7439 3 1065.3893516  595161404643133 3    633232 3      C-13-H3C(O)CH3
  885323.8487  0.0490 -4.7439 3 1065.3893516  595161404643133 4    633232 4      C-13-H3C(O)CH3
  885324.4645  0.0489 -4.7439 3 1065.3893516  595161404643233 3    633132 3      C-13-H3C(O)CH3
  885324.5145  0.0489 -4.7439 3 1065.3893516  595161404643233 4    633132 4      C-13-H3C(O)CH3
  885328.7262  0.0606 -6.0153 3  665.9434792  595161404493416 1    483315 1      C-13-H3C(O)CH3
  885402.2740  0.0472 -5.4646 3 1328.6394D52 -595161404841075 0    83 974 0      C-13-H3C(O)CH3
  885402.2740  0.0472 -5.4646 3 1328.6394D52 -59516140484 975 0    831074 0      C-13-H3C(O)CH3
  885402.2740  0.0472 -4.5839 3 1328.6394D52 -59516140484 975 0    83 974 0      C-13-H3C(O)CH3
  885402.2740  0.0472 -4.5839 3 1328.6394D52 -595161404841075 0    831074 0      C-13-H3C(O)CH3
  885433.6343  0.0654 -5.1520 3 1328.6220D52  595161404841075 2    831074 2      C-13-H3C(O)CH3
  885433.6343  0.0654 -5.1520 3 1328.6220D52  59516140484 975 2    83 974 2      C-13-H3C(O)CH3
  885433.6343  0.0654 -4.6487 3 1328.6220D52  595161404841075 2    83 974 2      C-13-H3C(O)CH3
  885433.6343  0.0654 -4.6487 3 1328.6220D52  59516140484 975 2    831074 2      C-13-H3C(O)CH3
  885433.8340  0.0695 -4.5317 3 1328.6222D52  595161404841075 1    83 974 1      C-13-H3C(O)CH3
  885433.8340  0.0695 -4.5317 3 1328.6222D52  59516140484 975 1    831074 1      C-13-H3C(O)CH3
  885445.7475  0.0597 -4.4559 3 1125.7874A80  595161404672939 0    662838 0      C-13-H3C(O)CH3
  885445.7475  0.0597 -4.4559 3 1125.7874A80  595161404672839 0    662938 0      C-13-H3C(O)CH3
  885461.3876  0.0479 -5.0118 3 1328.6047676  59516140484 975 3    831074 3      C-13-H3C(O)CH3
  885461.3876  0.0479 -5.2991 3 1328.6047676  595161404841075 3    831074 3      C-13-H3C(O)CH3
  885461.3876  0.0479 -5.0118 3 1328.6047676  595161404841075 3    83 974 3      C-13-H3C(O)CH3
  885461.3876  0.0479 -5.2991 3 1328.6047676  59516140484 975 3    83 974 3      C-13-H3C(O)CH3
  885461.4182  0.0479 -4.9432 3 1328.6047676  59516140484 975 4    83 974 4      C-13-H3C(O)CH3
  885461.4182  0.0479 -5.4743 3 1328.6047676  595161404841075 4    83 974 4      C-13-H3C(O)CH3
  885461.4182  0.0479 -5.4743 3 1328.6047676  59516140484 975 4    831074 4      C-13-H3C(O)CH3
  885461.4182  0.0479 -4.9432 3 1328.6047676  595161404841075 4    831074 4      C-13-H3C(O)CH3
  885466.9960  0.0602 -4.4559 3 1125.8037A80  595161404672939 1    662838 1      C-13-H3C(O)CH3
  885466.9960  0.0602 -4.4559 3 1125.8037A80  595161404672839 1    662938 1      C-13-H3C(O)CH3
  885469.2401  0.0623 -4.4559 3 1125.8052A80  595161404672839 2    662938 2      C-13-H3C(O)CH3
  885469.2401  0.0623 -4.4559 3 1125.8052A80  595161404672939 2    662838 2      C-13-H3C(O)CH3
  885490.5208  0.0570 -4.7570 3 1125.8216540  595161404672939 3    662838 3      C-13-H3C(O)CH3
  885490.5208  0.0570 -4.7570 3 1125.8216540  595161404672839 3    662938 3      C-13-H3C(O)CH3
  885490.5580  0.0570 -4.7570 3 1125.8217540  595161404672839 4    662938 4      C-13-H3C(O)CH3
  885490.5580  0.0570 -4.7570 3 1125.8217540  595161404672939 4    662838 4      C-13-H3C(O)CH3
  885528.3533  0.0054 -3.4846 3  646.2286760 -595161404473810 0    4637 9 0      C-13-H3C(O)CH3
  885528.3533  0.0054 -3.4846 3  646.2286760 -5951614044738 9 0    463710 0      C-13-H3C(O)CH3
  885556.3621  0.0064 -3.4848 3  646.2511760 -5951614044738 9 2    4637 9 2      C-13-H3C(O)CH3
  885615.4222  0.0062 -3.4846 3  646.2483760 -5951614044738 9 1    4637 9 1      C-13-H3C(O)CH3
  885634.6017  0.0062 -3.4846 3  646.2351760 -595161404473810 2    463710 2      C-13-H3C(O)CH3
  885642.9644  0.0094 -3.7858 3  646.2708380  5951614044738 9 4    4637 9 4      C-13-H3C(O)CH3
  885663.9508  0.0061 -3.4846 3  646.2185760 -595161404473810 1    463710 1      C-13-H3C(O)CH3
  885691.8969  0.0085 -3.7857 3  646.2410380  595161404473810 3    463710 3      C-13-H3C(O)CH3
  885721.5002  0.0083 -3.7857 3  646.2549380  5951614044738 9 3    4637 9 3      C-13-H3C(O)CH3
  885768.2563  0.1508 -4.3911 3  876.2163920  595161404573424 1    563323 1      C-13-H3C(O)CH3
  885770.6272  0.0083 -3.7856 3  646.2248380  595161404473810 4    463710 4      C-13-H3C(O)CH3
  885773.2734  0.0696 -4.5993 3 1272.1694C40  595161404771760 0    761759 0      C-13-H3C(O)CH3
  885773.2734  0.0696 -5.3258 3 1272.1694C40  595161404771860 0    761759 0      C-13-H3C(O)CH3
  885773.2734  0.0696 -5.3258 3 1272.1694C40  595161404771760 0    761859 0      C-13-H3C(O)CH3
  885773.2734  0.0696 -4.5993 3 1272.1694C40  595161404771860 0    761859 0      C-13-H3C(O)CH3
  885782.9465  0.0149 -5.0758 3 1350.6843732  59516140491 190 3    90 189 3      C-13-H3C(O)CH3
  885782.9465  0.0149 -5.0995 3 1350.6843732  59516140491 290 3    90 189 3      C-13-H3C(O)CH3
  885782.9465  0.0149 -5.0758 3 1350.6843732  59516140491 290 3    90 289 3      C-13-H3C(O)CH3
  885782.9465  0.0149 -5.0995 3 1350.6843732  59516140491 190 3    90 289 3      C-13-H3C(O)CH3
  885782.9694  0.0148 -5.0255 3 1350.6844732  59516140491 190 4    90 289 4      C-13-H3C(O)CH3
  885782.9694  0.0148 -5.1598 3 1350.6844732  59516140491 190 4    90 189 4      C-13-H3C(O)CH3
  885782.9694  0.0148 -5.1598 3 1350.6844732  59516140491 290 4    90 289 4      C-13-H3C(O)CH3
  885782.9694  0.0148 -5.0255 3 1350.6844732  59516140491 290 4    90 189 4      C-13-H3C(O)CH3
  885802.6221  0.0232 -5.1796 3 1350.6682E64  59516140491 190 2    90 189 2      C-13-H3C(O)CH3
  885802.6221  0.0232 -4.5835 3 1350.6682E64  59516140491 190 2    90 289 2      C-13-H3C(O)CH3
  885802.6221  0.0232 -5.1796 3 1350.6682E64  59516140491 290 2    90 289 2      C-13-H3C(O)CH3
  885802.6221  0.0232 -4.5835 3 1350.6682E64  59516140491 290 2    90 189 2      C-13-H3C(O)CH3
  885802.6968  0.0179 -4.5417 3 1350.6687E64 -59516140491 190 1    90 189 1      C-13-H3C(O)CH3
  885802.6968  0.0179 -5.4004 3 1350.6687E64 -59516140491 290 1    90 189 1      C-13-H3C(O)CH3
  885802.8466  0.0179 -4.5417 3 1350.6687E64  59516140491 290 1    90 289 1      C-13-H3C(O)CH3
  885802.8466  0.0179 -5.4004 3 1350.6687E64  59516140491 190 1    90 289 1      C-13-H3C(O)CH3
  885804.6175  0.0689 -4.8542 3 1272.1809C40  595161404771860 1    761859 1      C-13-H3C(O)CH3
  885804.6175  0.0689 -4.7988 3 1272.1809C40  595161404771760 1    761859 1      C-13-H3C(O)CH3
  885804.6175  0.0689 -4.8542 3 1272.1809C40  595161404771760 1    761759 1      C-13-H3C(O)CH3
  885804.6175  0.0689 -4.7988 3 1272.1809C40  595161404771860 1    761759 1      C-13-H3C(O)CH3
  885805.7910  0.0705 -4.5376 3 1272.1812C40  595161404771760 2    761859 2      C-13-H3C(O)CH3
  885805.7910  0.0705 -6.0555 3 1272.1812C40  595161404771860 2    761859 2      C-13-H3C(O)CH3
  885805.7910  0.0705 -6.0555 3 1272.1812C40  595161404771760 2    761759 2      C-13-H3C(O)CH3
  885805.7910  0.0705 -4.5376 3 1272.1812C40  595161404771860 2    761759 2      C-13-H3C(O)CH3
  885822.4724  0.0142 -4.9371 3 1350.6526E64  59516140491 290 0    90 289 0      C-13-H3C(O)CH3
  885822.4724  0.0142 -4.9371 3 1350.6526E64  59516140491 190 0    90 189 0      C-13-H3C(O)CH3
  885822.4724  0.0142 -4.6747 3 1350.6526E64  59516140491 190 0    90 289 0      C-13-H3C(O)CH3
  885822.4724  0.0142 -4.6747 3 1350.6526E64  59516140491 290 0    90 189 0      C-13-H3C(O)CH3
  885832.7812  0.2236 -4.3911 3  876.2140920  595161404573424 2    563323 2      C-13-H3C(O)CH3
  885837.1694  0.0628 -4.8673 3 1272.1928620  595161404771860 3    761859 3      C-13-H3C(O)CH3
  885837.1694  0.0628 -5.8642 3 1272.1928620  595161404771760 3    761859 3      C-13-H3C(O)CH3
  885837.1694  0.0628 -4.8384 3 1272.1928620  595161404771760 3    761759 3      C-13-H3C(O)CH3
  885837.2216  0.0628 -5.0901 3 1272.1928620  595161404771860 4    761859 4      C-13-H3C(O)CH3
  885837.2216  0.0628 -5.1666 3 1272.1928620  595161404771760 4    761859 4      C-13-H3C(O)CH3
  885837.2216  0.0628 -5.1121 3 1272.1928620  595161404771860 4    761759 4      C-13-H3C(O)CH3
  885837.2216  0.0628 -5.1418 3 1272.1928620  595161404771760 4    761759 4      C-13-H3C(O)CH3
  885894.0226  0.0067 -4.0382 3  401.4223648  595161404401921 0    391822 0      C-13-H3C(O)CH3
  885900.2807  0.0067 -4.0382 3  401.4223648  595161404402021 0    391722 0      C-13-H3C(O)CH3
  885920.3444  0.0082 -4.0381 3  401.3936648  595161404401921 2    391822 2      C-13-H3C(O)CH3
  885926.9960  0.0082 -4.0381 3  401.3936648  595161404402021 2    391722 2      C-13-H3C(O)CH3
  885939.1759  0.0072 -4.0380 3  401.3961648  595161404401921 1    391822 1      C-13-H3C(O)CH3
  885945.5948  0.0072 -4.0380 3  401.3961648  595161404402021 1    391722 1      C-13-H3C(O)CH3
  885965.6044  0.0090 -4.3388 3  401.3673324  595161404401921 4    391822 4      C-13-H3C(O)CH3
  885965.6373  0.0090 -4.3388 3  401.3673324  595161404401921 3    391822 3      C-13-H3C(O)CH3
  885972.4061  0.0090 -4.3388 3  401.3673324  595161404402021 4    391722 4      C-13-H3C(O)CH3
  885972.4624  0.0090 -4.3388 3  401.3673324  595161404402021 3    391722 3      C-13-H3C(O)CH3
  885986.4364  0.0636 -5.2890 3 1144.6544A96  595161404682841 0    672740 0      C-13-H3C(O)CH3
  885986.4364  0.0636 -4.5382 3 1144.6544A96  595161404682841 0    672840 0      C-13-H3C(O)CH3
  885986.4364  0.0636 -5.2719 3 1144.6544A96  595161404682741 0    672840 0      C-13-H3C(O)CH3
  885986.4364  0.0636 -4.5351 3 1144.6544A96  595161404682741 0    672740 0      C-13-H3C(O)CH3
  886006.6900  0.0642 -4.4656 3 1144.6713A96  595161404682841 1    672840 1      C-13-H3C(O)CH3
  886006.6900  0.0642 -4.4696 3 1144.6713A96  595161404682741 1    672740 1      C-13-H3C(O)CH3
  886008.9215  0.0660 -5.1232 3 1144.6727A96  595161404682741 2    672840 2      C-13-H3C(O)CH3
  886008.9215  0.0660 -4.7736 3 1144.6727A96  595161404682741 2    672740 2      C-13-H3C(O)CH3
  886008.9215  0.0660 -4.5723 3 1144.6727A96  595161404682841 2    672840 2      C-13-H3C(O)CH3
  886008.9215  0.0660 -4.7579 3 1144.6727A96  595161404682841 2    672740 2      C-13-H3C(O)CH3
  886029.2055  0.0594 -4.7701 3 1144.6896548  595161404682741 3    672740 3      C-13-H3C(O)CH3
  886029.2055  0.0594 -4.7701 3 1144.6896548  595161404682841 3    672840 3      C-13-H3C(O)CH3
  886029.2420  0.0594 -4.8246 3 1144.6896548  595161404682841 4    672740 4      C-13-H3C(O)CH3
  886029.2420  0.0594 -5.6630 3 1144.6896548  595161404682841 4    672840 4      C-13-H3C(O)CH3
  886029.2420  0.0594 -5.6630 3 1144.6896548  595161404682741 4    672740 4      C-13-H3C(O)CH3
  886029.2420  0.0594 -4.8246 3 1144.6896548  595161404682741 4    672840 4      C-13-H3C(O)CH3
  886052.6959  0.0287 -5.2842 3  193.9163552  59516140434 431 0    33 132 0      C-13-H3C(O)CH3
  886052.6959  0.0287 -5.2842 3  193.9163552  59516140434 331 0    33 232 0      C-13-H3C(O)CH3
  886091.7464  0.0073 -3.6950 3  665.9168792 -595161404493416 0    483315 0      C-13-H3C(O)CH3
  886140.3954  0.0093 -6.0148 3  204.0110472  595161404291514 2    281217 2      C-13-H3C(O)CH3
  886162.7233  0.0962 -5.2625 3  665.9551396  595161404493416 3    483315 3      C-13-H3C(O)CH3
  886164.0605  0.0438 -4.4476 3 1043.8164A16  595161404633231 0    623330 0      C-13-H3C(O)CH3
  886183.4037  0.0438 -4.4475 3 1043.8159A16  595161404633331 0    623230 0      C-13-H3C(O)CH3
  886201.2251  0.0441 -4.4477 3 1043.8281A16  595161404633231 1    623330 1      C-13-H3C(O)CH3
  886205.4663  0.0471 -4.4477 3 1043.8299A16  595161404633231 2    623330 2      C-13-H3C(O)CH3
  886222.5614  0.0440 -4.4477 3 1043.8276A16  595161404633331 1    623230 1      C-13-H3C(O)CH3
  886226.0744  0.0466 -4.4476 3 1043.8294A16  595161404633331 2    623230 2      C-13-H3C(O)CH3
  886227.5469  0.0073 -3.6949 3  665.9136792  595161404493415 0    483316 0      C-13-H3C(O)CH3
  886242.6554  0.0461 -4.7488 3 1043.8416508  595161404633231 3    623330 3      C-13-H3C(O)CH3
  886242.7536  0.0460 -4.7488 3 1043.8416508  595161404633231 4    623330 4      C-13-H3C(O)CH3
  886249.4871  0.0077 -3.6962 3  665.9597792 -595161404493415 2    483315 2      C-13-H3C(O)CH3
  886255.3158  0.0093 -6.0135 3  204.0134472  595161404291514 1    281217 1      C-13-H3C(O)CH3
  886262.2632  0.0077 -3.6970 3  665.9434792  595161404493415 1    483315 1      C-13-H3C(O)CH3
  886265.3784  0.0454 -4.7488 3 1043.8410508  595161404633331 3    623230 3      C-13-H3C(O)CH3
  886265.4198  0.0454 -4.7488 3 1043.8410508  595161404633331 4    623230 4      C-13-H3C(O)CH3
  886319.0584  0.0080 -3.6967 3  665.9104792 -595161404493416 1    483316 1      C-13-H3C(O)CH3
  886319.9577  0.2773 -4.9376 3 1003.8202492  595161404613526 3    603625 3      C-13-H3C(O)CH3
  886334.9040  0.2678 -4.9376 3 1003.8199492  595161404613526 4    603625 4      C-13-H3C(O)CH3
  886354.9997  0.0110 -3.9964 3  665.9878396  595161404493415 4    483315 4      C-13-H3C(O)CH3
  886363.7323  0.0080 -3.6956 3  665.9168792 -595161404493416 2    483316 2      C-13-H3C(O)CH3
  886381.0165  0.0088 -6.0142 3  204.0214472  595161404291514 0    281217 0      C-13-H3C(O)CH3
  886403.5708  0.0115 -4.0199 3  665.9551396  595161404493415 3    483315 3      C-13-H3C(O)CH3
  886467.7659  0.0057 -3.5734 3  654.9794776 -595161404483612 0    473513 0      C-13-H3C(O)CH3
  886467.7659  0.0057 -3.5734 3  654.9794776 -595161404483613 0    473512 0      C-13-H3C(O)CH3
  886472.5843  0.0113 -4.0195 3  665.9448396  595161404493416 3    483316 3      C-13-H3C(O)CH3
  886502.4884  0.0062 -3.5736 3  655.0164776 -595161404483612 2    473512 2      C-13-H3C(O)CH3
  886521.1118  0.0110 -3.9954 3  665.9121396  595161404493416 4    483316 4      C-13-H3C(O)CH3
  886547.3574  0.0064 -3.5734 3  655.0026776 -595161404483612 1    473512 1      C-13-H3C(O)CH3
  886582.2340  0.0085 -3.8747 3  655.0395388  595161404483612 4    473512 4      C-13-H3C(O)CH3
  886585.7687  0.1886 -4.6917 3  876.1946460  595161404573424 4    563323 4      C-13-H3C(O)CH3
  886599.0610  0.0490 -5.2678 3 1336.9477D68 -59516140485 877 0    84 976 0      C-13-H3C(O)CH3
  886599.0610  0.0490 -5.2678 3 1336.9477D68 -59516140485 977 0    84 876 0      C-13-H3C(O)CH3
  886599.0610  0.0490 -4.6218 3 1336.9477D68 -59516140485 977 0    84 976 0      C-13-H3C(O)CH3
  886599.0610  0.0490 -4.6218 3 1336.9477D68 -59516140485 877 0    84 876 0      C-13-H3C(O)CH3
  886604.3255  0.0068 -3.5733 3  654.9760776 -595161404483613 1    473513 1      C-13-H3C(O)CH3
  886607.8559  0.1950 -4.6916 3  876.1942460  595161404573424 3    563323 3      C-13-H3C(O)CH3
  886613.9094  0.0064 -3.5733 3  654.9917776 -595161404483613 2    473513 2      C-13-H3C(O)CH3
  886629.2873  0.0708 -4.7027 3 1336.9252D68  59516140485 877 2    84 976 2      C-13-H3C(O)CH3
  886629.2873  0.0708 -5.0241 3 1336.9252D68  59516140485 977 2    84 976 2      C-13-H3C(O)CH3
  886629.2873  0.0708 -5.0241 3 1336.9252D68  59516140485 877 2    84 876 2      C-13-H3C(O)CH3
  886629.2873  0.0708 -4.7027 3 1336.9252D68  59516140485 977 2    84 876 2      C-13-H3C(O)CH3
  886629.4276  0.0747 -4.5417 3 1336.9254D68  59516140485 877 1    84 876 1      C-13-H3C(O)CH3
  886629.4276  0.0747 -4.5417 3 1336.9254D68  59516140485 977 1    84 976 1      C-13-H3C(O)CH3
  886639.5622  0.0086 -3.8746 3  655.0129388  595161404483613 3    473513 3      C-13-H3C(O)CH3
  886651.9568  0.0465 -5.9136 3 1336.9028684  59516140485 977 3    84 976 3      C-13-H3C(O)CH3
  886651.9568  0.0465 -4.8720 3 1336.9028684  59516140485 977 3    84 876 3      C-13-H3C(O)CH3
  886651.9568  0.0465 -5.9136 3 1336.9028684  59516140485 877 3    84 876 3      C-13-H3C(O)CH3
  886651.9568  0.0465 -4.8720 3 1336.9028684  59516140485 877 3    84 976 3      C-13-H3C(O)CH3
  886651.9751  0.0465 -4.8606 3 1336.9028684  59516140485 877 4    84 876 4      C-13-H3C(O)CH3
  886651.9751  0.0465 -4.8606 3 1336.9028684  59516140485 977 4    84 976 4      C-13-H3C(O)CH3
  886655.7294  0.0672 -5.9804 3 1162.9199B12  595161404692643 0    682742 0      C-13-H3C(O)CH3
  886655.7294  0.0672 -4.4882 3 1162.9199B12  595161404692643 0    682642 0      C-13-H3C(O)CH3
  886655.7294  0.0672 -4.4882 3 1162.9199B12  595161404692743 0    682742 0      C-13-H3C(O)CH3
  886655.7294  0.0672 -5.9804 3 1162.9199B12  595161404692743 0    682642 0      C-13-H3C(O)CH3
  886675.5691  0.0680 -5.3440 3 1162.9370B12  595161404692643 1    682642 1      C-13-H3C(O)CH3
  886675.5691  0.0680 -4.5375 3 1162.9370B12  595161404692643 1    682742 1      C-13-H3C(O)CH3
  886675.5691  0.0680 -4.5375 3 1162.9370B12  595161404692743 1    682642 1      C-13-H3C(O)CH3
  886675.5691  0.0680 -5.3440 3 1162.9370B12  595161404692743 1    682742 1      C-13-H3C(O)CH3
  886677.8145  0.0695 -5.0109 3 1162.9384B12  595161404692643 2    682742 2      C-13-H3C(O)CH3
  886677.8145  0.0695 -4.6238 3 1162.9384B12  595161404692643 2    682642 2      C-13-H3C(O)CH3
  886677.8145  0.0695 -4.6238 3 1162.9384B12  595161404692743 2    682742 2      C-13-H3C(O)CH3
  886677.8145  0.0695 -5.0109 3 1162.9384B12  595161404692743 2    682642 2      C-13-H3C(O)CH3
  886693.9547  0.0082 -3.8744 3  655.0148388  595161404483612 3    473512 3      C-13-H3C(O)CH3
  886697.6838  0.0616 -4.8881 3 1162.9556556  595161404692743 3    682642 3      C-13-H3C(O)CH3
  886697.6838  0.0616 -5.4172 3 1162.9556556  595161404692743 3    682742 3      C-13-H3C(O)CH3
  886697.6838  0.0616 -5.4172 3 1162.9556556  595161404692643 3    682642 3      C-13-H3C(O)CH3
  886697.6838  0.0616 -4.8881 3 1162.9556556  595161404692643 3    682742 3      C-13-H3C(O)CH3
  886697.7204  0.0617 -4.9243 3 1162.9556556  595161404692743 4    682642 4      C-13-H3C(O)CH3
  886697.7204  0.0617 -4.9243 3 1162.9556556  595161404692643 4    682742 4      C-13-H3C(O)CH3
  886697.7204  0.0617 -5.3132 3 1162.9556556  595161404692743 4    682742 4      C-13-H3C(O)CH3
  886697.7204  0.0617 -5.3132 3 1162.9556556  595161404692643 4    682642 4      C-13-H3C(O)CH3
  886713.4318  0.0975 -5.2621 3  665.9448396  595161404493415 3    483316 3      C-13-H3C(O)CH3
  886724.7867  0.2261 -4.6345 3 1003.8093984  595161404613526 1    603625 1      C-13-H3C(O)CH3
  886751.0495  0.0092 -3.8743 3  654.9881388  595161404483613 4    473513 4      C-13-H3C(O)CH3
  886817.0263  0.3120 -4.6342 3 1003.8098984  595161404613526 2    603625 2      C-13-H3C(O)CH3
  886862.5383  0.0667 -4.9586 3 1284.8009C56  595161404781762 0    771661 0      C-13-H3C(O)CH3
  886862.5383  0.0667 -4.7377 3 1284.8009C56  595161404781762 0    771761 0      C-13-H3C(O)CH3
  886862.5383  0.0667 -4.9586 3 1284.8009C56  595161404781662 0    771761 0      C-13-H3C(O)CH3
  886862.5383  0.0667 -4.7377 3 1284.8009C56  595161404781662 0    771661 0      C-13-H3C(O)CH3
  886895.3287  0.0655 -4.5341 3 1284.8106C56  595161404781762 1    771661 1      C-13-H3C(O)CH3
  886895.3287  0.0655 -4.5341 3 1284.8106C56  595161404781662 1    771761 1      C-13-H3C(O)CH3
  886896.2527  0.0670 -4.5374 3 1284.8107C56  595161404781662 2    771761 2      C-13-H3C(O)CH3
  886896.2527  0.0670 -4.5374 3 1284.8107C56  595161404781762 2    771661 2      C-13-H3C(O)CH3
  886929.0773  0.0616 -5.1068 3 1284.8205628  595161404781762 3    771661 3      C-13-H3C(O)CH3
  886929.0773  0.0616 -5.1658 3 1284.8205628  595161404781762 3    771761 3      C-13-H3C(O)CH3
  886929.0773  0.0616 -5.1068 3 1284.8205628  595161404781662 3    771761 3      C-13-H3C(O)CH3
  886929.0773  0.0616 -5.1658 3 1284.8205628  595161404781662 3    771661 3      C-13-H3C(O)CH3
  886929.1304  0.0616 -5.7744 3 1284.8205628  595161404781662 4    771761 4      C-13-H3C(O)CH3
  886929.1304  0.0616 -4.8872 3 1284.8205628  595161404781762 4    771761 4      C-13-H3C(O)CH3
  886929.1304  0.0616 -5.7744 3 1284.8205628  595161404781762 4    771661 4      C-13-H3C(O)CH3
  886929.1304  0.0616 -4.8872 3 1284.8205628  595161404781662 4    771661 4      C-13-H3C(O)CH3
  887031.5819  0.0076 -4.4465 3  335.9185308  595161404381424 4    371325 4      C-13-H3C(O)CH3
  887031.5821  0.0076 -4.4465 3  335.9185308  595161404381524 4    371225 4      C-13-H3C(O)CH3
  887031.9506  0.0074 -4.4465 3  335.9185308  595161404381424 3    371325 3      C-13-H3C(O)CH3
  887031.9507  0.0074 -4.4465 3  335.9185308  595161404381524 3    371225 3      C-13-H3C(O)CH3
  887082.8703  0.0250 -4.7839 3 1354.7538740  59516140492 192 4    91 091 4      C-13-H3C(O)CH3
  887082.8703  0.0250 -4.7839 3 1354.7538740  59516140492 092 4    91 191 4      C-13-H3C(O)CH3
  887082.8930  0.0250 -5.1440 3 1354.7538740  59516140492 192 3    91 191 3      C-13-H3C(O)CH3
  887082.8930  0.0250 -5.0135 3 1354.7538740  59516140492 092 3    91 191 3      C-13-H3C(O)CH3
  887082.9174  0.0250 -5.0312 3 1354.7538740 -59516140492 192 3    91 091 3      C-13-H3C(O)CH3
  887082.9174  0.0250 -5.1681 3 1354.7538740 -59516140492 092 3    91 091 3      C-13-H3C(O)CH3
  887085.1057  0.0280 -4.7211 3 1354.6923E80  59516140492 092 1    91 091 1      C-13-H3C(O)CH3
  887085.1057  0.0280 -4.6748 3 1354.6923E80  59516140492 192 1    91 191 1      C-13-H3C(O)CH3
  887085.1057  0.0280 -4.8355 3 1354.6923E80  59516140492 192 1    91 091 1      C-13-H3C(O)CH3
  887085.1057  0.0280 -4.9498 3 1354.6923E80  59516140492 092 1    91 191 1      C-13-H3C(O)CH3
  887085.2599  0.0396 -4.8827 3 1354.6922E80 -59516140492 192 2    91 091 2      C-13-H3C(O)CH3
  887085.2599  0.0396 -4.8827 3 1354.6922E80 -59516140492 092 2    91 191 2      C-13-H3C(O)CH3
  887085.3083  0.0396 -4.7016 3 1354.6922E80  59516140492 092 2    91 091 2      C-13-H3C(O)CH3
  887085.3083  0.0396 -4.7016 3 1354.6922E80  59516140492 192 2    91 191 2      C-13-H3C(O)CH3
  887087.4251  0.0258 -5.9801 3 1354.6308E80 -59516140492 192 0    91 191 0      C-13-H3C(O)CH3
  887087.4251  0.0258 -5.9801 3 1354.6308E80 -59516140492 092 0    91 091 0      C-13-H3C(O)CH3
  887087.5007  0.0258 -4.4956 3 1354.6308E80  59516140492 092 0    91 191 0      C-13-H3C(O)CH3
  887087.5007  0.0258 -4.4956 3 1354.6308E80  59516140492 192 0    91 091 0      C-13-H3C(O)CH3
  887093.9152  0.0071 -4.1457 3  335.9431616  595161404381424 2    371325 2      C-13-H3C(O)CH3
  887093.9153  0.0071 -4.1457 3  335.9431616  595161404381524 2    371225 2      C-13-H3C(O)CH3
  887104.0157  0.0072 -4.1456 3  335.9445616  595161404381424 1    371325 1      C-13-H3C(O)CH3
  887104.0159  0.0072 -4.1456 3  335.9445616  595161404381524 1    371225 1      C-13-H3C(O)CH3
  887165.9033  0.0062 -4.1456 3  335.9691616  595161404381424 0    371325 0      C-13-H3C(O)CH3
  887165.9035  0.0062 -4.1456 3  335.9691616  595161404381524 0    371225 0      C-13-H3C(O)CH3
  887205.8585  0.2436 -4.6321 3 1003.7992984  595161404613526 0    603625 0      C-13-H3C(O)CH3
  887252.7344  0.0629 -6.0137 3  665.9104792  595161404493415 1    483316 1      C-13-H3C(O)CH3
  887296.3561  0.0090 -6.0144 3  204.0110472  595161404291614 2    281117 2      C-13-H3C(O)CH3
  887356.3118  0.0165 -5.7907 3  366.5609300  595161404372513 4    362215 4      C-13-H3C(O)CH3
  887380.6337  0.0091 -6.0131 3  204.0134472  595161404291614 1    281117 1      C-13-H3C(O)CH3
  887382.8369  0.0093 -4.0308 3  460.5828680  595161404422419 0    412120 0      C-13-H3C(O)CH3
  887420.6198  0.0706 -4.4909 3 1180.5969B28  595161404702545 0    692644 0      C-13-H3C(O)CH3
  887420.6198  0.0706 -4.4888 3 1180.5969B28  595161404702645 0    692544 0      C-13-H3C(O)CH3
  887440.5137  0.0715 -4.4851 3 1180.6143B28  595161404702645 1    692544 1      C-13-H3C(O)CH3
  887440.5137  0.0715 -4.4851 3 1180.6143B28  595161404702545 1    692644 1      C-13-H3C(O)CH3
  887440.6128  0.0120 -4.0306 3  460.5559680  595161404422419 2    412120 2      C-13-H3C(O)CH3
  887442.7746  0.0728 -4.5347 3 1180.6155B28  595161404702545 2    692544 2      C-13-H3C(O)CH3
  887442.7746  0.0728 -5.4510 3 1180.6155B28  595161404702545 2    692644 2      C-13-H3C(O)CH3
  887442.7746  0.0728 -5.4510 3 1180.6155B28  595161404702645 2    692544 2      C-13-H3C(O)CH3
  887442.7746  0.0728 -4.5347 3 1180.6155B28  595161404702645 2    692644 2      C-13-H3C(O)CH3
  887461.9676  0.0096 -4.0305 3  460.5601680  595161404422419 1    412120 1      C-13-H3C(O)CH3
  887462.6979  0.0636 -5.6204 3 1180.6329564  595161404702545 3    692544 3      C-13-H3C(O)CH3
  887462.6979  0.0636 -4.8548 3 1180.6329564  595161404702545 3    692644 3      C-13-H3C(O)CH3
  887462.6979  0.0636 -4.8548 3 1180.6329564  595161404702645 3    692544 3      C-13-H3C(O)CH3
  887462.6979  0.0636 -5.6204 3 1180.6329564  595161404702645 3    692644 3      C-13-H3C(O)CH3
  887462.7351  0.0637 -4.8026 3 1180.6329564  595161404702645 4    692644 4      C-13-H3C(O)CH3
  887462.7351  0.0637 -4.8026 3 1180.6329564  595161404702545 4    692544 4      C-13-H3C(O)CH3
  887469.1618  0.0143 -5.6438 3  366.5818600  595161404372513 2    362215 2      C-13-H3C(O)CH3
  887519.2259  0.0128 -4.3313 3  460.5332340  595161404422419 4    412120 4      C-13-H3C(O)CH3
  887520.9932  0.0127 -4.3313 3  460.5332340  595161404422419 3    412120 3      C-13-H3C(O)CH3
  887527.7760  0.0088 -6.0137 3  204.0214472  595161404291614 0    281117 0      C-13-H3C(O)CH3
  887684.8361  0.0076 -4.0259 3  430.9728664  595161404412120 0    402021 0      C-13-H3C(O)CH3
  887715.6720  0.0103 -4.0257 3  430.9449664  595161404412120 2    402021 2      C-13-H3C(O)CH3
  887746.0439  0.0080 -4.0256 3  430.9481664  595161404412120 1    402021 1      C-13-H3C(O)CH3
  887776.9890  0.0112 -4.3264 3  430.9202332  595161404412120 3    402021 3      C-13-H3C(O)CH3
  887777.3005  0.0113 -4.3264 3  430.9201332  595161404412120 4    402021 4      C-13-H3C(O)CH3
  887821.1993  0.0499 -4.6392 3 1344.7250D84  59516140486 779 0    85 878 0      C-13-H3C(O)CH3
  887821.1993  0.0499 -5.2095 3 1344.7250D84  59516140486 879 0    85 878 0      C-13-H3C(O)CH3
  887821.1993  0.0499 -5.2095 3 1344.7250D84  59516140486 779 0    85 778 0      C-13-H3C(O)CH3
  887821.1993  0.0499 -4.6392 3 1344.7250D84  59516140486 879 0    85 778 0      C-13-H3C(O)CH3
  887837.2341  0.0735 -5.2140 3 1344.6976D84  59516140486 879 2    85 778 2      C-13-H3C(O)CH3
  887837.2341  0.0735 -4.6379 3 1344.6976D84  59516140486 879 2    85 878 2      C-13-H3C(O)CH3
  887837.2341  0.0735 -4.6379 3 1344.6976D84  59516140486 779 2    85 778 2      C-13-H3C(O)CH3
  887837.2341  0.0735 -5.2140 3 1344.6976D84  59516140486 779 2    85 878 2      C-13-H3C(O)CH3
  887837.2764  0.0768 -4.7902 3 1344.6977D84  59516140486 779 1    85 778 1      C-13-H3C(O)CH3
  887837.2764  0.0768 -4.8888 3 1344.6977D84  59516140486 879 1    85 778 1      C-13-H3C(O)CH3
  887837.2764  0.0768 -4.8888 3 1344.6977D84  59516140486 779 1    85 878 1      C-13-H3C(O)CH3
  887837.2764  0.0768 -4.7902 3 1344.6977D84  59516140486 879 1    85 878 1      C-13-H3C(O)CH3
  887853.3211  0.0445 -4.8632 3 1344.6703692  59516140486 879 3    85 778 3      C-13-H3C(O)CH3
  887853.3211  0.0445 -4.8632 3 1344.6703692  59516140486 779 3    85 878 3      C-13-H3C(O)CH3
  887853.3241  0.0445 -5.2716 3 1344.6703692  59516140486 879 4    85 778 4      C-13-H3C(O)CH3
  887853.3241  0.0445 -5.0355 3 1344.6703692  59516140486 779 4    85 778 4      C-13-H3C(O)CH3
  887853.3241  0.0445 -5.2716 3 1344.6703692  59516140486 779 4    85 878 4      C-13-H3C(O)CH3
  887853.3241  0.0445 -5.0355 3 1344.6703692  59516140486 879 4    85 878 4      C-13-H3C(O)CH3
  887855.1779  0.0076 -4.0258 3  430.9726664  595161404412220 0    401921 0      C-13-H3C(O)CH3
  887893.9203  0.0100 -4.0256 3  430.9447664  595161404412220 2    401921 2      C-13-H3C(O)CH3
  887919.5254  0.0080 -4.0255 3  430.9479664  595161404412220 1    401921 1      C-13-H3C(O)CH3
  887958.4949  0.0109 -4.3263 3  430.9199332  595161404412220 4    401921 4      C-13-H3C(O)CH3
  887958.5764  0.0109 -4.3263 3  430.9200332  595161404412220 3    401921 3      C-13-H3C(O)CH3
  887968.2362  0.0630 -5.5454 3 1296.8916C72  595161404791564 0    781663 0      C-13-H3C(O)CH3
  887968.2362  0.0630 -4.5867 3 1296.8916C72  595161404791664 0    781663 0      C-13-H3C(O)CH3
  887968.2362  0.0630 -5.5454 3 1296.8916C72  595161404791664 0    781563 0      C-13-H3C(O)CH3
  887968.2362  0.0630 -4.5867 3 1296.8916C72  595161404791564 0    781563 0      C-13-H3C(O)CH3
  887982.3795  0.0411 -4.4636 3 1021.4503A00  595161404623329 0    613428 0      C-13-H3C(O)CH3
  888002.2724  0.0618 -5.7392 3 1296.8991C72  595161404791664 1    781663 1      C-13-H3C(O)CH3
  888002.2724  0.0618 -4.5698 3 1296.8991C72  595161404791664 1    781563 1      C-13-H3C(O)CH3
  888002.2724  0.0618 -4.5698 3 1296.8991C72  595161404791564 1    781663 1      C-13-H3C(O)CH3
  888002.2724  0.0618 -5.7392 3 1296.8991C72  595161404791564 1    781563 1      C-13-H3C(O)CH3
  888002.9404  0.0630 -4.5462 3 1296.8991C72  595161404791564 2    781563 2      C-13-H3C(O)CH3
  888002.9404  0.0630 -4.5462 3 1296.8991C72  595161404791664 2    781663 2      C-13-H3C(O)CH3
  888013.9640  0.8080 -5.3930 3 1112.5083516  595161404643826 3    633925 3      C-13-H3C(O)CH3
  888018.8039  0.0418 -4.4639 3 1021.4594A00  595161404623329 1    613428 1      C-13-H3C(O)CH3
  888028.8828  0.0466 -4.4638 3 1021.4611A00  595161404623329 2    613428 2      C-13-H3C(O)CH3
  888037.0102  0.0601 -5.0590 3 1296.9066636  595161404791564 3    781663 3      C-13-H3C(O)CH3
  888037.0102  0.0601 -5.0590 3 1296.9066636  595161404791664 3    781563 3      C-13-H3C(O)CH3
  888037.0102  0.0601 -5.2483 3 1296.9066636  595161404791664 3    781663 3      C-13-H3C(O)CH3
  888037.0102  0.0601 -5.2483 3 1296.9066636  595161404791564 3    781563 3      C-13-H3C(O)CH3
  888037.0639  0.0601 -4.8554 3 1296.9066636  595161404791564 4    781563 4      C-13-H3C(O)CH3
  888037.0639  0.0601 -4.8554 3 1296.9066636  595161404791664 4    781663 4      C-13-H3C(O)CH3
  888057.6881  0.7707 -5.3937 3 1112.5071516  595161404643826 4    633925 4      C-13-H3C(O)CH3
  888064.6874  0.0466 -4.7651 3 1021.4703500  595161404623329 3    613428 3      C-13-H3C(O)CH3
  888065.1985  0.0464 -4.7651 3 1021.4703500  595161404623329 4    613428 4      C-13-H3C(O)CH3
  888136.1095  0.1067 -4.6746 3  684.5568404  595161404503318 4    493217 4      C-13-H3C(O)CH3
  888163.5622  0.1026 -4.8135 3  998.1761492  595161404613427 3    603526 3      C-13-H3C(O)CH3
  888167.8868  0.0995 -4.8135 3  998.1760492  595161404613427 4    603526 4      C-13-H3C(O)CH3
  888211.2749  0.0078 -3.3486 3  642.5562728 -5951614044543 2 0    4442 3 0      C-13-H3C(O)CH3
  888211.2749  0.0078 -3.3486 3  642.5562728 -5951614044543 3 0    4442 2 0      C-13-H3C(O)CH3
  888227.2279  0.0861 -4.5117 3  998.1676984  595161404613427 1    603526 1      C-13-H3C(O)CH3
  888258.4228  0.0735 -5.0588 3 1197.6958B44  595161404712547 0    702446 0      C-13-H3C(O)CH3
  888258.4228  0.0735 -4.6347 3 1197.6958B44  595161404712547 0    702546 0      C-13-H3C(O)CH3
  888258.4228  0.0735 -4.6347 3 1197.6958B44  595161404712447 0    702446 0      C-13-H3C(O)CH3
  888258.4228  0.0735 -5.0588 3 1197.6958B44  595161404712447 0    702546 0      C-13-H3C(O)CH3
  888267.2011  0.1129 -4.5115 3  998.1687984  595161404613427 2    603526 2      C-13-H3C(O)CH3
  888278.7623  0.0746 -4.8030 3 1197.7132B44  595161404712447 1    702446 1      C-13-H3C(O)CH3
  888278.7623  0.0746 -4.7909 3 1197.7132B44  595161404712547 1    702446 1      C-13-H3C(O)CH3
  888278.7623  0.0746 -4.8030 3 1197.7132B44  595161404712547 1    702546 1      C-13-H3C(O)CH3
  888278.7623  0.0746 -4.7909 3 1197.7132B44  595161404712447 1    702546 1      C-13-H3C(O)CH3
  888281.0234  0.0757 -5.6591 3 1197.7143B44  595161404712447 2    702446 2      C-13-H3C(O)CH3
  888281.0234  0.0757 -5.6591 3 1197.7143B44  595161404712547 2    702546 2      C-13-H3C(O)CH3
  888281.0234  0.0757 -4.5268 3 1197.7143B44  595161404712547 2    702446 2      C-13-H3C(O)CH3
  888281.0234  0.0757 -4.5268 3 1197.7143B44  595161404712447 2    702546 2      C-13-H3C(O)CH3
  888301.3925  0.0653 -4.7970 3 1197.7318572  595161404712447 3    702546 3      C-13-H3C(O)CH3
  888301.3925  0.0653 -4.7970 3 1197.7318572  595161404712547 3    702446 3      C-13-H3C(O)CH3
  888301.4307  0.0654 -4.8605 3 1197.7318572  595161404712547 4    702546 4      C-13-H3C(O)CH3
  888301.4307  0.0654 -5.6628 3 1197.7318572  595161404712547 4    702446 4      C-13-H3C(O)CH3
  888301.4307  0.0654 -4.8605 3 1197.7318572  595161404712447 4    702446 4      C-13-H3C(O)CH3
  888301.4307  0.0654 -5.6628 3 1197.7318572  595161404712447 4    702546 4      C-13-H3C(O)CH3
  888324.8178  0.0894 -4.5108 3  998.1603984  595161404613427 0    603526 0      C-13-H3C(O)CH3
  888334.0400  0.0087 -3.3486 3  642.6050728 -5951614044543 2 1    4442 2 1      C-13-H3C(O)CH3
  888349.7143  0.0132 -4.6695 3  366.5864600  595161404372512 1    362215 1      C-13-H3C(O)CH3
  888349.8250  0.0095 -3.3485 3  642.5776728 -5951614044543 2 2    4442 2 2      C-13-H3C(O)CH3
  888355.7833  0.0117 -4.6644 3  366.6072600  595161404372512 0    362215 0      C-13-H3C(O)CH3
  888368.4715  0.0089 -3.3484 3  642.5261728 -5951614044543 3 2    4442 3 2      C-13-H3C(O)CH3
  888443.2337  0.0085 -3.3484 3  642.5447728 -5951614044543 3 1    4442 3 1      C-13-H3C(O)CH3
  888472.9084  0.0145 -3.6495 3  642.6264364  5951614044543 2 4    4442 2 4      C-13-H3C(O)CH3
  888490.9526  0.0140 -3.6494 3  642.5748364  5951614044543 2 3    4442 2 3      C-13-H3C(O)CH3
  888500.3536  0.0418 -4.4630 3 1021.4372A00  595161404623429 0    613328 0      C-13-H3C(O)CH3
  888571.2681  0.0402 -4.4632 3 1021.4455A00  595161404623429 1    613328 1      C-13-H3C(O)CH3
  888572.4454  0.0402 -4.4632 3 1021.4474A00  595161404623429 2    613328 2      C-13-H3C(O)CH3
  888581.4057  0.0142 -3.6493 3  642.5661364  5951614044543 3 3    4442 3 3      C-13-H3C(O)CH3
  888599.6937  0.0142 -3.6492 3  642.5146364  5951614044543 3 4    4442 3 4      C-13-H3C(O)CH3
  888644.0805  0.0376 -4.7645 3 1021.4557500  595161404623429 4    613328 4      C-13-H3C(O)CH3
  888644.3459  0.0375 -4.7645 3 1021.4556500  595161404623429 3    613328 3      C-13-H3C(O)CH3
  888704.1449  0.0184 -4.9897 3  366.5610300  595161404372512 3    362215 3      C-13-H3C(O)CH3
  888801.2010  0.0198 -4.7128 3  366.5818600  595161404372512 2    362215 2      C-13-H3C(O)CH3
  888850.0303  0.0664 -4.0929 3  684.5361808  595161404503318 2    493217 2      C-13-H3C(O)CH3
  888859.2309  0.0254 -5.0347 3  366.5609300  595161404372512 4    362215 4      C-13-H3C(O)CH3
  888940.3099  0.0219 -5.8151 3  277.0098252  5951614043127 4 4    3024 6 4      C-13-H3C(O)CH3
  888982.8872  0.6334 -5.0894 3 1112.4868A32  595161404643826 1    633925 1      C-13-H3C(O)CH3
  889041.0441  0.0414 -3.9956 3  684.5276808  595161404503318 1    493217 1      C-13-H3C(O)CH3
  889049.3650  0.0484 -4.5443 3 1351.9713E00  59516140487 781 0    86 680 0      C-13-H3C(O)CH3
  889049.3650  0.0484 -4.5443 3 1351.9713E00  59516140487 681 0    86 780 0      C-13-H3C(O)CH3
  889057.4394  0.0739 -4.6565 3 1351.9400E00  59516140487 781 1    86 680 1      C-13-H3C(O)CH3
  889057.4394  0.0739 -4.6565 3 1351.9400E00  59516140487 681 1    86 780 1      C-13-H3C(O)CH3
  889057.4394  0.0739 -5.1570 3 1351.9400E00  59516140487 781 1    86 780 1      C-13-H3C(O)CH3
  889057.4394  0.0739 -5.1570 3 1351.9400E00  59516140487 681 1    86 680 1      C-13-H3C(O)CH3
  889057.5026  0.0714 -4.5437 3 1351.9399E00  59516140487 681 2    86 780 2      C-13-H3C(O)CH3
  889057.5026  0.0714 -4.5437 3 1351.9399E00  59516140487 781 2    86 680 2      C-13-H3C(O)CH3
  889065.5719  0.0413 -5.3614 3 1351.9085700  59516140487 681 4    86 680 4      C-13-H3C(O)CH3
  889065.5719  0.0413 -4.9930 3 1351.9085700  59516140487 781 4    86 680 4      C-13-H3C(O)CH3
  889065.5719  0.0413 -5.3614 3 1351.9085700  59516140487 781 4    86 780 4      C-13-H3C(O)CH3
  889065.5719  0.0413 -4.9930 3 1351.9085700  59516140487 681 4    86 780 4      C-13-H3C(O)CH3
  889065.5863  0.0413 -5.9851 3 1351.9086700  59516140487 781 3    86 680 3      C-13-H3C(O)CH3
  889065.5863  0.0413 -4.8704 3 1351.9086700  59516140487 781 3    86 780 3      C-13-H3C(O)CH3
  889065.5863  0.0413 -4.8704 3 1351.9086700  59516140487 681 3    86 680 3      C-13-H3C(O)CH3
  889065.5863  0.0413 -5.9851 3 1351.9086700  59516140487 681 3    86 780 3      C-13-H3C(O)CH3
  889089.2121  0.0589 -4.7263 3 1308.4435C88  595161404801566 0    791465 0      C-13-H3C(O)CH3
  889089.2121  0.0589 -5.0234 3 1308.4435C88  595161404801466 0    791465 0      C-13-H3C(O)CH3
  889089.2121  0.0589 -4.7263 3 1308.4435C88  595161404801466 0    791565 0      C-13-H3C(O)CH3
  889089.2121  0.0589 -5.0234 3 1308.4435C88  595161404801566 0    791565 0      C-13-H3C(O)CH3
  889124.1623  0.0584 -4.5681 3 1308.4482C88  595161404801466 1    791565 1      C-13-H3C(O)CH3
  889124.1623  0.0584 -5.9132 3 1308.4482C88  595161404801466 1    791465 1      C-13-H3C(O)CH3
  889124.1623  0.0584 -5.9132 3 1308.4482C88  595161404801566 1    791565 1      C-13-H3C(O)CH3
  889124.1623  0.0584 -4.5681 3 1308.4482C88  595161404801566 1    791465 1      C-13-H3C(O)CH3
  889124.5817  0.0589 -5.2686 3 1308.4482C88  595161404801566 2    791465 2      C-13-H3C(O)CH3
  889124.5817  0.0589 -4.6408 3 1308.4482C88  595161404801566 2    791565 2      C-13-H3C(O)CH3
  889124.5817  0.0589 -4.6408 3 1308.4482C88  595161404801466 2    791465 2      C-13-H3C(O)CH3
  889124.5817  0.0589 -5.2686 3 1308.4482C88  595161404801466 2    791565 2      C-13-H3C(O)CH3
  889134.0884  0.0211 -4.7159 3  389.3688616  595161404382613 1    372314 1      C-13-H3C(O)CH3
  889153.1228  0.0760 -5.3200 3 1214.2246B60  595161404722349 0    712348 0      C-13-H3C(O)CH3
  889153.1228  0.0760 -4.5794 3 1214.2246B60  595161404722349 0    712448 0      C-13-H3C(O)CH3
  889153.1228  0.0760 -5.3200 3 1214.2246B60  595161404722449 0    712448 0      C-13-H3C(O)CH3
  889153.1228  0.0760 -4.5794 3 1214.2246B60  595161404722449 0    712348 0      C-13-H3C(O)CH3
  889159.3997  0.0197 -5.8117 3  276.9950252  5951614043127 5 3    3024 6 3      C-13-H3C(O)CH3
  889159.5643  0.0584 -4.9187 3 1308.4530644  595161404801466 3    791565 3      C-13-H3C(O)CH3
  889159.5643  0.0584 -4.9187 3 1308.4530644  595161404801566 3    791465 3      C-13-H3C(O)CH3
  889159.5643  0.0584 -5.6842 3 1308.4530644  595161404801566 3    791565 3      C-13-H3C(O)CH3
  889159.5643  0.0584 -5.6842 3 1308.4530644  595161404801466 3    791465 3      C-13-H3C(O)CH3
  889159.6178  0.0584 -4.8560 3 1308.4530644  595161404801466 4    791465 4      C-13-H3C(O)CH3
  889159.6178  0.0584 -4.8560 3 1308.4530644  595161404801566 4    791565 4      C-13-H3C(O)CH3
  889174.2417  0.0772 -4.5482 3 1214.2418B60  595161404722349 1    712348 1      C-13-H3C(O)CH3
  889174.2417  0.0772 -5.5498 3 1214.2418B60  595161404722349 1    712448 1      C-13-H3C(O)CH3
  889174.2417  0.0772 -5.5498 3 1214.2418B60  595161404722449 1    712348 1      C-13-H3C(O)CH3
  889174.2417  0.0772 -4.5482 3 1214.2418B60  595161404722449 1    712448 1      C-13-H3C(O)CH3
  889176.4767  0.0783 -5.8212 3 1214.2429B60  595161404722349 2    712448 2      C-13-H3C(O)CH3
  889176.4767  0.0783 -4.5285 3 1214.2429B60  595161404722449 2    712448 2      C-13-H3C(O)CH3
  889176.4767  0.0783 -5.8212 3 1214.2429B60  595161404722449 2    712348 2      C-13-H3C(O)CH3
  889176.4767  0.0783 -4.5285 3 1214.2429B60  595161404722349 2    712348 2      C-13-H3C(O)CH3
  889197.6255  0.0667 -5.1485 3 1214.2602580  595161404722449 3    712448 3      C-13-H3C(O)CH3
  889197.6255  0.0667 -5.1485 3 1214.2602580  595161404722349 3    712348 3      C-13-H3C(O)CH3
  889197.6255  0.0667 -5.0729 3 1214.2602580  595161404722349 3    712448 3      C-13-H3C(O)CH3
  889197.6255  0.0667 -5.0729 3 1214.2602580  595161404722449 3    712348 3      C-13-H3C(O)CH3
  889197.6651  0.0668 -5.6318 3 1214.2602580  595161404722349 4    712348 4      C-13-H3C(O)CH3
  889197.6651  0.0668 -4.8786 3 1214.2602580  595161404722349 4    712448 4      C-13-H3C(O)CH3
  889197.6651  0.0668 -5.6318 3 1214.2602580  595161404722449 4    712448 4      C-13-H3C(O)CH3
  889197.6651  0.0668 -4.8786 3 1214.2602580  595161404722449 4    712348 4      C-13-H3C(O)CH3
  889225.9565  0.0115 -3.8210 3  684.5156808 -595161404503318 0    493217 0      C-13-H3C(O)CH3
  889272.3592  0.0199 -4.6672 3  389.3868616  595161404382613 0    372314 0      C-13-H3C(O)CH3
  889280.0494  0.8866 -5.0886 3 1112.4859A32  595161404643826 2    633925 2      C-13-H3C(O)CH3
  889331.4283  0.0304 -5.1451 3  389.3384308  595161404382613 4    372314 4      C-13-H3C(O)CH3
  889397.3336  0.0183 -5.5149 3  277.0327504  5951614043127 5 1    3024 6 1      C-13-H3C(O)CH3
  889521.0810  0.0174 -5.5174 3  277.0475504  5951614043127 4 2    3024 6 2      C-13-H3C(O)CH3
  889563.4953  0.0202 -5.8143 3  276.9943252  5951614043127 4 3    3024 7 3      C-13-H3C(O)CH3
  889579.3815  0.0272 -4.8046 3  389.3566616  595161404382613 2    372314 2      C-13-H3C(O)CH3
  889602.2462  0.0293 -4.1462 3  684.5360404  595161404503318 3    493217 3      C-13-H3C(O)CH3
  889656.1254  0.0343 -5.0406 3  389.3387308  595161404382613 3    372314 3      C-13-H3C(O)CH3
  889737.4352  0.0182 -5.5140 3  277.0326504  5951614043127 5 2    3024 7 2      C-13-H3C(O)CH3
  889764.9245  0.0241 -5.6296 3  389.3688616  595161404382612 1    372314 1      C-13-H3C(O)CH3
  889779.7654  0.0224 -5.8109 3  276.9796252  5951614043127 5 4    3024 7 4      C-13-H3C(O)CH3
  889980.4438  0.0182 -5.5180 3  277.0701504  5951614043127 5 0    3024 6 0      C-13-H3C(O)CH3
  889980.6397  0.0182 -5.5180 3  277.0701504  5951614043127 4 0    3024 7 0      C-13-H3C(O)CH3
  890017.9094  0.0183 -5.5140 3  277.0172504  5951614043127 4 1    3024 7 1      C-13-H3C(O)CH3
  890089.2614  0.0057 -3.4034 3  647.2036744 -5951614044641 5 0    4540 5 0      C-13-H3C(O)CH3
  890089.2614  0.0057 -3.4034 3  647.2036744 -5951614044641 6 0    4540 6 0      C-13-H3C(O)CH3
  890093.1704  0.0779 -4.6307 3 1230.1896B76  595161404732351 0    722250 0      C-13-H3C(O)CH3
  890093.1704  0.0779 -5.1590 3 1230.1896B76  595161404732351 0    722350 0      C-13-H3C(O)CH3
  890093.1704  0.0779 -5.1590 3 1230.1896B76  595161404732251 0    722250 0      C-13-H3C(O)CH3
  890093.1704  0.0779 -4.6307 3 1230.1896B76  595161404732251 0    722350 0      C-13-H3C(O)CH3
  890094.2351  0.0085 -5.8269 3  299.1277300  595161404371226 4    361027 4      C-13-H3C(O)CH3
  890094.2351  0.0085 -5.8545 3  299.1277300  595161404371126 4    36 927 4      C-13-H3C(O)CH3
  890094.2351  0.0085 -4.5962 3  299.1277300  595161404371126 4    361027 4      C-13-H3C(O)CH3
  890094.2351  0.0085 -4.5978 3  299.1277300  595161404371226 4    36 927 4      C-13-H3C(O)CH3
  890094.7571  0.0079 -5.2970 3  299.1277300  595161404371126 3    361027 3      C-13-H3C(O)CH3
  890094.7571  0.0079 -4.6638 3  299.1277300  595161404371126 3    36 927 3      C-13-H3C(O)CH3
  890094.7571  0.0079 -5.2957 3  299.1277300  595161404371226 3    36 927 3      C-13-H3C(O)CH3
  890094.7571  0.0079 -4.6641 3  299.1277300  595161404371226 3    361027 3      C-13-H3C(O)CH3
  890115.3547  0.0791 -5.0205 3 1230.2066B76  595161404732351 1    722350 1      C-13-H3C(O)CH3
  890115.3547  0.0791 -5.0205 3 1230.2066B76  595161404732251 1    722250 1      C-13-H3C(O)CH3
  890115.3547  0.0791 -4.6819 3 1230.2066B76  595161404732251 1    722350 1      C-13-H3C(O)CH3
  890115.3547  0.0791 -4.6819 3 1230.2066B76  595161404732351 1    722250 1      C-13-H3C(O)CH3
  890117.5295  0.0802 -4.8512 3 1230.2076B76  595161404732351 2    722350 2      C-13-H3C(O)CH3
  890117.5295  0.0802 -4.7890 3 1230.2076B76  595161404732351 2    722250 2      C-13-H3C(O)CH3
  890117.5295  0.0802 -4.8512 3 1230.2076B76  595161404732251 2    722250 2      C-13-H3C(O)CH3
  890117.5295  0.0802 -4.7890 3 1230.2076B76  595161404732251 2    722350 2      C-13-H3C(O)CH3
  890139.7444  0.0678 -4.8211 3 1230.2247588  595161404732351 3    722250 3      C-13-H3C(O)CH3
  890139.7444  0.0678 -4.8211 3 1230.2247588  595161404732251 3    722350 3      C-13-H3C(O)CH3
  890139.7856  0.0678 -5.1650 3 1230.2247588  595161404732351 4    722350 4      C-13-H3C(O)CH3
  890139.7856  0.0678 -5.0794 3 1230.2247588  595161404732351 4    722250 4      C-13-H3C(O)CH3
  890139.7856  0.0678 -5.0794 3 1230.2247588  595161404732251 4    722350 4      C-13-H3C(O)CH3
  890139.7856  0.0678 -5.1650 3 1230.2247588  595161404732251 4    722250 4      C-13-H3C(O)CH3
  890163.2823  0.0068 -3.4034 3  647.2161744 -5951614044641 5 2    4540 5 2      C-13-H3C(O)CH3
  890194.2578  0.0064 -3.4034 3  647.1890744 -5951614044641 6 2    4540 6 2      C-13-H3C(O)CH3
  890200.2015  0.0065 -3.4033 3  647.2336744 -5951614044641 5 1    4540 5 1      C-13-H3C(O)CH3
  890224.2600  0.6821 -5.0857 3 1112.4651A32  595161404643826 0    633925 0      C-13-H3C(O)CH3
  890224.6698  0.0549 -4.5565 3 1319.4582D04  595161404811468 0    801467 0      C-13-H3C(O)CH3
  890224.6698  0.0549 -4.5565 3 1319.4582D04  595161404811368 0    801367 0      C-13-H3C(O)CH3
  890260.0472  0.0564 -5.6397 3 1319.4598D04  595161404811368 1    801367 1      C-13-H3C(O)CH3
  890260.0472  0.0564 -5.6397 3 1319.4598D04  595161404811468 1    801467 1      C-13-H3C(O)CH3
  890260.0472  0.0564 -4.5932 3 1319.4598D04  595161404811468 1    801367 1      C-13-H3C(O)CH3
  890260.0472  0.0564 -4.5932 3 1319.4598D04  595161404811368 1    801467 1      C-13-H3C(O)CH3
  890260.2403  0.0559 -4.6127 3 1319.4596D04  595161404811468 2    801467 2      C-13-H3C(O)CH3
  890260.2403  0.0559 -5.4671 3 1319.4596D04  595161404811468 2    801367 2      C-13-H3C(O)CH3
  890260.2403  0.0559 -4.6127 3 1319.4596D04  595161404811368 2    801367 2      C-13-H3C(O)CH3
  890260.2403  0.0559 -5.4671 3 1319.4596D04  595161404811368 2    801467 2      C-13-H3C(O)CH3
  890266.2874  0.0063 -3.4032 3  647.1876744 -5951614044641 6 1    4540 6 1      C-13-H3C(O)CH3
  890273.5582  0.0076 -5.3838 3  299.1449600  595161404371226 2    36 927 2      C-13-H3C(O)CH3
  890273.5582  0.0076 -4.3066 3  299.1449600  595161404371226 2    361027 2      C-13-H3C(O)CH3
  890273.5582  0.0076 -5.3404 3  299.1449600  595161404371126 2    361027 2      C-13-H3C(O)CH3
  890273.5582  0.0076 -4.3105 3  299.1449600  595161404371126 2    36 927 2      C-13-H3C(O)CH3
  890273.7774  0.0102 -3.7043 3  647.2459372  5951614044641 5 4    4540 5 4      C-13-H3C(O)CH3
  890281.4105  0.0078 -4.5640 3  299.1459600  595161404371226 1    361027 1      C-13-H3C(O)CH3
  890281.4105  0.0078 -4.5817 3  299.1459600  595161404371226 1    36 927 1      C-13-H3C(O)CH3
  890281.4105  0.0078 -4.5686 3  299.1459600  595161404371126 1    361027 1      C-13-H3C(O)CH3
  890281.4105  0.0078 -4.5770 3  299.1459600  595161404371126 1    36 927 1      C-13-H3C(O)CH3
  890289.0789  0.0365 -4.8408 3 1358.6191708  59516140488 583 4    87 582 4      C-13-H3C(O)CH3
  890289.0789  0.0365 -4.8408 3 1358.6191708  59516140488 683 4    87 682 4      C-13-H3C(O)CH3
  890289.1098  0.0365 -5.1048 3 1358.6192708  59516140488 583 3    87 682 3      C-13-H3C(O)CH3
  890289.1098  0.0365 -5.1785 3 1358.6192708  59516140488 583 3    87 582 3      C-13-H3C(O)CH3
  890289.1098  0.0365 -5.1271 3 1358.6192708  59516140488 683 3    87 582 3      C-13-H3C(O)CH3
  890289.1098  0.0365 -5.1535 3 1358.6192708  59516140488 683 3    87 682 3      C-13-H3C(O)CH3
  890289.9681  0.0646 -4.5381 3 1358.6529E16  59516140488 683 1    87 682 1      C-13-H3C(O)CH3
  890289.9681  0.0646 -4.5381 3 1358.6529E16  59516140488 583 1    87 582 1      C-13-H3C(O)CH3
  890290.1024  0.0633 -4.6561 3 1358.6528E16  59516140488 583 2    87 582 2      C-13-H3C(O)CH3
  890290.1024  0.0633 -4.6028 3 1358.6528E16  59516140488 683 2    87 682 2      C-13-H3C(O)CH3
  890290.1024  0.0633 -5.3966 3 1358.6528E16  59516140488 683 2    87 582 2      C-13-H3C(O)CH3
  890290.1024  0.0633 -5.1615 3 1358.6528E16  59516140488 583 2    87 682 2      C-13-H3C(O)CH3
  890290.9708  0.0434 -4.5607 3 1358.6865E16  59516140488 583 0    87 682 0      C-13-H3C(O)CH3
  890290.9708  0.0434 -5.8346 3 1358.6865E16  59516140488 583 0    87 582 0      C-13-H3C(O)CH3
  890290.9708  0.0434 -4.5607 3 1358.6865E16  59516140488 683 0    87 582 0      C-13-H3C(O)CH3
  890290.9708  0.0434 -5.8346 3 1358.6865E16  59516140488 683 0    87 682 0      C-13-H3C(O)CH3
  890295.6481  0.0567 -5.2246 3 1319.4612652  595161404811368 3    801467 3      C-13-H3C(O)CH3
  890295.6481  0.0567 -5.1001 3 1319.4612652  595161404811368 3    801367 3      C-13-H3C(O)CH3
  890295.6481  0.0567 -5.2246 3 1319.4612652  595161404811468 3    801367 3      C-13-H3C(O)CH3
  890295.6481  0.0567 -5.1001 3 1319.4612652  595161404811468 3    801467 3      C-13-H3C(O)CH3
  890295.7007  0.0567 -4.8776 3 1319.4612652  595161404811468 4    801467 4      C-13-H3C(O)CH3
  890295.7007  0.0567 -4.8776 3 1319.4612652  595161404811368 4    801367 4      C-13-H3C(O)CH3
  890304.5274  0.0093 -3.7043 3  647.2190372  5951614044641 5 3    4540 5 3      C-13-H3C(O)CH3
  890339.4388  0.0096 -3.7042 3  647.2001372  5951614044641 6 3    4540 6 3      C-13-H3C(O)CH3
  890354.5871  0.0371 -5.7780 3  389.3387308  595161404382612 3    372314 3      C-13-H3C(O)CH3
  890370.8435  0.0094 -3.7042 3  647.1731372  5951614044641 6 4    4540 6 4      C-13-H3C(O)CH3
  890459.9163  0.0071 -5.7715 3  299.1631600  595161404371126 0    361027 0      C-13-H3C(O)CH3
  890459.9163  0.0071 -4.2856 3  299.1631600  595161404371126 0    36 927 0      C-13-H3C(O)CH3
  890459.9163  0.0071 -5.7522 3  299.1631600  595161404371226 0    36 927 0      C-13-H3C(O)CH3
  890459.9163  0.0071 -4.2862 3  299.1631600  595161404371226 0    361027 0      C-13-H3C(O)CH3
  890521.7854  0.0161 -4.0773 3  490.0881696  595161404432618 0    422319 0      C-13-H3C(O)CH3
  890591.0987  0.0354 -5.2362 3  389.3566616  595161404382612 2    372314 2      C-13-H3C(O)CH3
  890672.7357  0.0151 -4.0773 3  490.0668696  595161404432618 1    422319 1      C-13-H3C(O)CH3
  890683.2599  0.0163 -4.2991 3  684.5276808  595161404503317 1    493217 1      C-13-H3C(O)CH3
  890692.9724  0.0429 -5.4415 3  389.3384308  595161404382612 4    372314 4      C-13-H3C(O)CH3
  890759.2147  0.0134 -4.0780 3  490.0601696  595161404432618 2    422319 2      C-13-H3C(O)CH3
  890763.2841  0.0209 -4.1509 3  684.5361808  595161404503317 2    493217 2      C-13-H3C(O)CH3
  890811.9070  0.0157 -5.3591 3  684.5360404  595161404503317 3    493217 3      C-13-H3C(O)CH3
  890901.9528  0.0102 -4.3790 3  490.0388348  595161404432618 4    422319 4      C-13-H3C(O)CH3
  890918.0835  0.0107 -4.3790 3  490.0388348  595161404432618 3    422319 3      C-13-H3C(O)CH3
  891035.3485  0.0231 -4.2624 3  684.5568404  595161404503317 4    493217 4      C-13-H3C(O)CH3
  891070.0969  0.0791 -4.5795 3 1245.5962B92  595161404742253 0    732152 0      C-13-H3C(O)CH3
  891070.0969  0.0791 -5.4876 3 1245.5962B92  595161404742153 0    732152 0      C-13-H3C(O)CH3
  891070.0969  0.0791 -4.6124 3 1245.5962B92  595161404742153 0    732252 0      C-13-H3C(O)CH3
  891070.0969  0.0791 -5.2861 3 1245.5962B92  595161404742253 0    732252 0      C-13-H3C(O)CH3
  891093.5881  0.0803 -4.5296 3 1245.6128B92  595161404742153 1    732152 1      C-13-H3C(O)CH3
  891093.5881  0.0803 -4.5296 3 1245.6128B92  595161404742253 1    732252 1      C-13-H3C(O)CH3
  891095.6643  0.0814 -4.8085 3 1245.6137B92  595161404742253 2    732152 2      C-13-H3C(O)CH3
  891095.6643  0.0814 -4.8526 3 1245.6137B92  595161404742253 2    732252 2      C-13-H3C(O)CH3
  891095.6643  0.0814 -4.8526 3 1245.6137B92  595161404742153 2    732152 2      C-13-H3C(O)CH3
  891095.6643  0.0814 -4.8085 3 1245.6137B92  595161404742153 2    732252 2      C-13-H3C(O)CH3
  891119.1867  0.0684 -4.8569 3 1245.6303596  595161404742253 3    732252 3      C-13-H3C(O)CH3
  891119.1867  0.0684 -6.0508 3 1245.6303596  595161404742253 3    732152 3      C-13-H3C(O)CH3
  891119.1867  0.0684 -4.8569 3 1245.6303596  595161404742153 3    732152 3      C-13-H3C(O)CH3
  891119.1867  0.0684 -6.0508 3 1245.6303596  595161404742153 3    732252 3      C-13-H3C(O)CH3
  891119.2296  0.0684 -5.7116 3 1245.6303596  595161404742253 4    732152 4      C-13-H3C(O)CH3
  891119.2296  0.0684 -4.8911 3 1245.6303596  595161404742253 4    732252 4      C-13-H3C(O)CH3
  891119.2296  0.0684 -4.8911 3 1245.6303596  595161404742153 4    732152 4      C-13-H3C(O)CH3
  891119.2296  0.0684 -5.7116 3 1245.6303596  595161404742153 4    732252 4      C-13-H3C(O)CH3
  891324.3253  1.2976 -5.9166 3 1299.7981556  595161404694227 3    684326 3      C-13-H3C(O)CH3
  891354.7035  1.2017 -5.9189 3 1299.7973556  595161404694227 4    684326 4      C-13-H3C(O)CH3
  891374.1051  0.0516 -5.8477 3 1329.9372D20  595161404821270 0    811369 0      C-13-H3C(O)CH3
  891374.1051  0.0516 -4.5852 3 1329.9372D20  595161404821270 0    811269 0      C-13-H3C(O)CH3
  891374.1051  0.0516 -4.5852 3 1329.9372D20  595161404821370 0    811369 0      C-13-H3C(O)CH3
  891374.1051  0.0516 -5.8477 3 1329.9372D20  595161404821370 0    811269 0      C-13-H3C(O)CH3
  891409.2435  0.0568 -4.5863 3 1329.9351D20  595161404821370 1    811269 1      C-13-H3C(O)CH3
  891409.2435  0.0568 -5.8291 3 1329.9351D20  595161404821270 1    811269 1      C-13-H3C(O)CH3
  891409.2435  0.0568 -4.5863 3 1329.9351D20  595161404821270 1    811369 1      C-13-H3C(O)CH3
  891409.2435  0.0568 -5.8291 3 1329.9351D20  595161404821370 1    811369 1      C-13-H3C(O)CH3
  891409.2484  0.0550 -4.5706 3 1329.9349D20  595161404821270 2    811369 2      C-13-H3C(O)CH3
  891409.2484  0.0550 -4.5706 3 1329.9349D20  595161404821370 2    811269 2      C-13-H3C(O)CH3
  891444.4147  0.0551 -4.8921 3 1329.9327660  595161404821370 3    811369 3      C-13-H3C(O)CH3
  891444.4147  0.0551 -6.0530 3 1329.9327660  595161404821370 3    811269 3      C-13-H3C(O)CH3
  891444.4147  0.0551 -6.0530 3 1329.9327660  595161404821270 3    811369 3      C-13-H3C(O)CH3
  891444.4147  0.0551 -4.8921 3 1329.9327660  595161404821270 3    811269 3      C-13-H3C(O)CH3
  891444.4651  0.0551 -4.8875 3 1329.9327660  595161404821370 4    811269 4      C-13-H3C(O)CH3
  891444.4651  0.0551 -4.8875 3 1329.9327660  595161404821270 4    811369 4      C-13-H3C(O)CH3
  891524.5659  0.0299 -4.8617 3 1364.8040716  59516140489 485 4    88 584 4      C-13-H3C(O)CH3
  891524.5659  0.0299 -4.8617 3 1364.8040716  59516140489 585 4    88 484 4      C-13-H3C(O)CH3
  891524.6066  0.0299 -5.4419 3 1364.8040716  59516140489 485 3    88 484 3      C-13-H3C(O)CH3
  891524.6066  0.0299 -4.9638 3 1364.8040716  59516140489 485 3    88 584 3      C-13-H3C(O)CH3
  891524.6066  0.0299 -4.9638 3 1364.8040716  59516140489 585 3    88 484 3      C-13-H3C(O)CH3
  891524.6066  0.0299 -5.4419 3 1364.8040716  59516140489 585 3    88 584 3      C-13-H3C(O)CH3
  891529.2064  0.0489 -4.6188 3 1364.8367E32 -59516140489 485 2    88 584 2      C-13-H3C(O)CH3
  891529.2064  0.0488 -5.6406 3 1364.8369E32 -59516140489 485 1    88 484 1      C-13-H3C(O)CH3
  891529.2064  0.0489 -4.6188 3 1364.8367E32 -59516140489 585 2    88 484 2      C-13-H3C(O)CH3
  891529.2064  0.0488 -4.5738 3 1364.8369E32 -59516140489 585 1    88 484 1      C-13-H3C(O)CH3
  891534.8350  0.0488 -4.5738 3 1364.8369E32  59516140489 485 1    88 584 1      C-13-H3C(O)CH3
  891534.8350  0.0488 -5.6406 3 1364.8369E32  59516140489 585 1    88 584 1      C-13-H3C(O)CH3
  891534.9630  0.0489 -5.3087 3 1364.8367E32  59516140489 485 2    88 484 2      C-13-H3C(O)CH3
  891534.9630  0.0489 -5.3087 3 1364.8367E32  59516140489 585 2    88 584 2      C-13-H3C(O)CH3
  891545.2009  0.0345 -4.5976 3 1364.8695E32  59516140489 485 0    88 484 0      C-13-H3C(O)CH3
  891545.2009  0.0345 -5.4311 3 1364.8695E32  59516140489 585 0    88 484 0      C-13-H3C(O)CH3
  891545.2009  0.0345 -4.5976 3 1364.8695E32  59516140489 585 0    88 584 0      C-13-H3C(O)CH3
  891545.2009  0.0345 -5.4311 3 1364.8695E32  59516140489 485 0    88 584 0      C-13-H3C(O)CH3
  891672.5926  0.0110 -5.7879 3  262.1715260  595161404322013 4    311516 4      C-13-H3C(O)CH3
  891674.7073  0.0105 -5.7880 3  262.1714260  595161404322013 3    311516 3      C-13-H3C(O)CH3
  891681.9303  0.0108 -5.4870 3  262.1936520  595161404322013 1    311516 1      C-13-H3C(O)CH3
  891694.4521  0.0227 -5.5234 3  318.8149276  5951614043426 9 4    332310 4      C-13-H3C(O)CH3
  891712.6376  0.0109 -5.4880 3  262.1892520  595161404322013 2    311516 2      C-13-H3C(O)CH3
  891718.1259  0.0111 -5.4877 3  262.2113520  595161404322013 0    311516 0      C-13-H3C(O)CH3
  891726.7306  0.0141 -4.2977 3  684.4380808  595161404503318 1    493218 1      C-13-H3C(O)CH3
  891727.0257  0.0056 -3.4690 3  653.5072760 -5951614044739 8 0    4638 9 0      C-13-H3C(O)CH3
  891727.0257  0.0056 -3.4690 3  653.5072760 -5951614044739 9 0    4638 8 0      C-13-H3C(O)CH3
  891727.8465  0.0156 -4.1493 3  684.4401808  595161404503318 2    493218 2      C-13-H3C(O)CH3
  891742.2249  0.0182 -5.3441 3  318.8187276  5951614043426 8 3    332310 3      C-13-H3C(O)CH3
  891757.0895  0.0066 -3.4691 3  653.5258760 -5951614044739 8 2    4638 8 2      C-13-H3C(O)CH3
  891761.0446  0.0192 -3.9076 3  679.5201808  595161404503218 0    493119 0      C-13-H3C(O)CH3
  891780.2300  0.0156 -5.0914 3  318.8357552  5951614043426 9 1    332310 1      C-13-H3C(O)CH3
  891780.4800  0.0153 -4.2607 3  684.4352404  595161404503318 4    493218 4      C-13-H3C(O)CH3
  891814.9312  0.0064 -3.4689 3  653.5285760 -5951614044739 8 1    4638 8 1      C-13-H3C(O)CH3
  891825.1744  0.0064 -3.4690 3  653.5102760 -5951614044739 9 2    4638 9 2      C-13-H3C(O)CH3
  891826.2911  0.0215 -5.6893 3  318.8357552  5951614043426 8 1    332310 1      C-13-H3C(O)CH3
  891844.4704  0.0099 -3.7700 3  653.5471380  5951614044739 8 4    4638 8 4      C-13-H3C(O)CH3
  891868.6937  0.0063 -3.4689 3  653.4959760 -5951614044739 9 1    4638 9 1      C-13-H3C(O)CH3
  891889.3756  0.0231 -4.2065 3  679.5258404  595161404503218 3    493119 3      C-13-H3C(O)CH3
  891898.4148  0.0091 -3.7700 3  653.5146380  5951614044739 9 3    4638 9 3      C-13-H3C(O)CH3
  891903.1110  0.0298 -5.6805 3  318.8149276  5951614043426 8 4    332310 4      C-13-H3C(O)CH3
  891906.2831  0.0219 -3.9143 3  679.5211808  595161404503218 1    493119 1      C-13-H3C(O)CH3
  891912.7269  0.0089 -3.7700 3  653.5316380  5951614044739 8 3    4638 8 3      C-13-H3C(O)CH3
  891932.3342  0.0114 -4.8782 3  261.6467292  59516140436 928 4    35 729 4      C-13-H3C(O)CH3
  891932.3342  0.0114 -4.8782 3  261.6467292  59516140436 828 4    35 629 4      C-13-H3C(O)CH3
  891932.3342  0.0114 -5.4461 3  261.6467292  59516140436 828 4    35 729 4      C-13-H3C(O)CH3
  891932.3342  0.0114 -5.4461 3  261.6467292  59516140436 928 4    35 629 4      C-13-H3C(O)CH3
  891932.8728  0.0102 -4.9195 3  261.6467292  59516140436 928 3    35 629 3      C-13-H3C(O)CH3
  891932.8728  0.0102 -5.3204 3  261.6467292  59516140436 928 3    35 729 3      C-13-H3C(O)CH3
  891932.8728  0.0102 -4.9195 3  261.6467292  59516140436 828 3    35 729 3      C-13-H3C(O)CH3
  891932.8728  0.0102 -5.3204 3  261.6467292  59516140436 828 3    35 629 3      C-13-H3C(O)CH3
  891950.2343  0.0261 -5.5823 3  318.8436552  5951614043426 9 2    332310 2      C-13-H3C(O)CH3
  891967.0814  0.0088 -3.7700 3  653.4989380  5951614044739 9 4    4638 9 4      C-13-H3C(O)CH3
  891968.2636  0.0216 -3.9201 3  679.5220808  595161404503218 2    493119 2      C-13-H3C(O)CH3
  892003.3998  0.0131 -5.3573 3  684.4559404  595161404503318 3    493218 3      C-13-H3C(O)CH3
  892077.6127  0.0795 -5.0594 3 1260.4487C08  595161404752055 0    742154 0      C-13-H3C(O)CH3
  892077.6127  0.0795 -4.6959 3 1260.4487C08  595161404752055 0    742054 0      C-13-H3C(O)CH3
  892077.6127  0.0795 -4.6959 3 1260.4487C08  595161404752155 0    742154 0      C-13-H3C(O)CH3
  892077.6127  0.0795 -5.0594 3 1260.4487C08  595161404752155 0    742054 0      C-13-H3C(O)CH3
  892078.1186  0.0265 -5.6840 3  318.8021276  5951614043426 9 4    332311 4      C-13-H3C(O)CH3
  892083.0288  0.9822 -5.6159 3 1299.7715B12  595161404694227 1    684326 1      C-13-H3C(O)CH3
  892102.2112  0.0145 -4.9959 3  318.8619552  5951614043426 9 0    332310 0      C-13-H3C(O)CH3
  892102.6066  0.0805 -5.8584 3 1260.4647C08  595161404752055 1    742154 1      C-13-H3C(O)CH3
  892102.6066  0.0805 -4.5610 3 1260.4647C08  595161404752055 1    742054 1      C-13-H3C(O)CH3
  892102.6066  0.0805 -5.8584 3 1260.4647C08  595161404752155 1    742054 1      C-13-H3C(O)CH3
  892102.6066  0.0805 -4.5610 3 1260.4647C08  595161404752155 1    742154 1      C-13-H3C(O)CH3
  892104.5437  0.0818 -4.5422 3 1260.4654C08  595161404752155 2    742154 2      C-13-H3C(O)CH3
  892104.5437  0.0818 -4.5422 3 1260.4654C08  595161404752055 2    742054 2      C-13-H3C(O)CH3
  892109.0630  0.0181 -5.1242 3  318.8436552  5951614043426 8 2    332310 2      C-13-H3C(O)CH3
  892129.5694  0.0686 -5.3343 3 1260.4814604  595161404752055 3    742054 3      C-13-H3C(O)CH3
  892129.5694  0.0686 -5.0088 3 1260.4814604  595161404752155 3    742054 3      C-13-H3C(O)CH3
  892129.5694  0.0686 -5.3343 3 1260.4814604  595161404752155 3    742154 3      C-13-H3C(O)CH3
  892129.5694  0.0686 -5.0088 3 1260.4814604  595161404752055 3    742154 3      C-13-H3C(O)CH3
  892129.6142  0.0687 -4.8425 3 1260.4815604  595161404752055 4    742154 4      C-13-H3C(O)CH3
  892129.6142  0.0687 -4.8425 3 1260.4815604  595161404752155 4    742054 4      C-13-H3C(O)CH3
  892237.1119  0.0177 -5.3455 3  318.7984276  5951614043426 9 3    332311 3      C-13-H3C(O)CH3
  892243.8302  0.0203 -5.6900 3  318.8202552  5951614043426 9 1    332311 1      C-13-H3C(O)CH3
  892285.0065  0.0085 -4.7516 3  261.6486584  59516140436 828 2    35 629 2      C-13-H3C(O)CH3
  892285.0065  0.0085 -4.7972 3  261.6486584  59516140436 828 2    35 729 2      C-13-H3C(O)CH3
  892285.0065  0.0085 -4.7972 3  261.6486584  59516140436 928 2    35 629 2      C-13-H3C(O)CH3
  892285.0065  0.0085 -4.7516 3  261.6486584  59516140436 928 2    35 729 2      C-13-H3C(O)CH3
  892286.7775  0.0248 -5.5195 3  318.8021276  5951614043426 8 4    332311 4      C-13-H3C(O)CH3
  892289.8913  0.0152 -5.0902 3  318.8202552  5951614043426 8 1    332311 1      C-13-H3C(O)CH3
  892290.8439  0.0091 -5.6294 3  261.6493584  59516140436 828 1    35 729 1      C-13-H3C(O)CH3
  892290.8439  0.0091 -4.5042 3  261.6493584  59516140436 928 1    35 729 1      C-13-H3C(O)CH3
  892290.8439  0.0091 -4.4731 3  261.6493584  59516140436 928 1    35 629 1      C-13-H3C(O)CH3
  892338.9608  0.0424 -4.2485 3  679.5204404  595161404503218 4    493119 4      C-13-H3C(O)CH3
  892376.4712  0.0170 -5.1267 3  318.8294552  5951614043426 9 2    332311 2      C-13-H3C(O)CH3
  892476.1682  0.0144 -4.9956 3  318.8495552  5951614043426 8 0    332311 0      C-13-H3C(O)CH3
  892535.2999  0.0286 -5.5793 3  318.8294552  5951614043426 8 2    332311 2      C-13-H3C(O)CH3
  892537.2515  0.0496 -4.8682 3 1339.8820D36  595161404831272 0    821271 0      C-13-H3C(O)CH3
  892537.2515  0.0496 -4.8694 3 1339.8820D36  595161404831172 0    821271 0      C-13-H3C(O)CH3
  892537.2515  0.0496 -4.8682 3 1339.8820D36  595161404831172 0    821171 0      C-13-H3C(O)CH3
  892537.2515  0.0496 -4.8694 3 1339.8820D36  595161404831272 0    821171 0      C-13-H3C(O)CH3
  892563.0380  1.3620 -5.6146 3 1299.7654B12  595161404694227 2    684326 2      C-13-H3C(O)CH3
  892571.1537  0.0572 -4.5893 3 1339.8754D36  595161404831172 2    821171 2      C-13-H3C(O)CH3
  892571.1537  0.0572 -5.8819 3 1339.8754D36  595161404831172 2    821271 2      C-13-H3C(O)CH3
  892571.1537  0.0572 -4.5893 3 1339.8754D36  595161404831272 2    821271 2      C-13-H3C(O)CH3
  892571.1537  0.0572 -5.8819 3 1339.8754D36  595161404831272 2    821171 2      C-13-H3C(O)CH3
  892571.2846  0.0603 -4.5700 3 1339.8756D36  595161404831172 1    821171 1      C-13-H3C(O)CH3
  892571.2846  0.0603 -4.5700 3 1339.8756D36  595161404831272 1    821271 1      C-13-H3C(O)CH3
  892605.2110  0.0536 -4.8802 3 1339.8690668  595161404831272 3    821271 3      C-13-H3C(O)CH3
  892605.2110  0.0536 -4.8802 3 1339.8690668  595161404831172 3    821171 3      C-13-H3C(O)CH3
  892605.2577  0.0536 -4.8698 3 1339.8689668  595161404831172 4    821271 4      C-13-H3C(O)CH3
  892605.2577  0.0536 -4.8698 3 1339.8689668  595161404831272 4    821171 4      C-13-H3C(O)CH3
  892642.3268  0.0083 -4.4742 3  261.6512584  59516140436 828 0    35 629 0      C-13-H3C(O)CH3
  892642.3268  0.0083 -4.4742 3  261.6512584  59516140436 928 0    35 729 0      C-13-H3C(O)CH3
  892773.2776  0.0223 -4.8615 3 1370.4655724  59516140490 387 4    89 386 4      C-13-H3C(O)CH3
  892773.2776  0.0223 -4.8615 3 1370.4655724  59516140490 487 4    89 486 4      C-13-H3C(O)CH3
  892773.3132  0.0223 -4.8383 3 1370.4655724  59516140490 487 3    89 486 3      C-13-H3C(O)CH3
  892773.3132  0.0223 -4.8383 3 1370.4655724  59516140490 387 3    89 386 3      C-13-H3C(O)CH3
  892791.8305  0.0294 -5.0182 3 1370.4922E48  59516140490 387 1    89 386 1      C-13-H3C(O)CH3
  892791.8305  0.0294 -4.7115 3 1370.4922E48  59516140490 387 1    89 486 1      C-13-H3C(O)CH3
  892791.8305  0.0294 -4.7115 3 1370.4922E48  59516140490 487 1    89 386 1      C-13-H3C(O)CH3
  892791.8305  0.0294 -5.0182 3 1370.4922E48  59516140490 487 1    89 486 1      C-13-H3C(O)CH3
  892791.8500  0.0315 -4.5410 3 1370.4919E48  59516140490 387 2    89 386 2      C-13-H3C(O)CH3
  892791.8500  0.0315 -4.5410 3 1370.4919E48  59516140490 487 2    89 486 2      C-13-H3C(O)CH3
  892810.3687  0.0232 -4.6092 3 1370.5186E48  59516140490 487 0    89 486 0      C-13-H3C(O)CH3
  892810.3687  0.0232 -4.6092 3 1370.5186E48  59516140490 387 0    89 386 0      C-13-H3C(O)CH3
  892810.3687  0.0232 -5.3538 3 1370.5186E48  59516140490 387 0    89 486 0      C-13-H3C(O)CH3
  892810.3687  0.0232 -5.3538 3 1370.5186E48  59516140490 487 0    89 386 0      C-13-H3C(O)CH3
  892860.0700  0.0110 -3.8181 3  684.4341808  595161404503317 0    493218 0      C-13-H3C(O)CH3
  892917.9515  0.0055 -3.5498 3  661.6183776 -595161404483711 0    473612 0      C-13-H3C(O)CH3
  892917.9515  0.0055 -3.5498 3  661.6183776 -595161404483712 0    473611 0      C-13-H3C(O)CH3
  892939.2077  0.0064 -3.5500 3  661.6510776 -595161404483711 2    473611 2      C-13-H3C(O)CH3
  892952.7087  0.0183 -5.1729 3  223.5216284  59516140435 530 4    34 431 4      C-13-H3C(O)CH3
  892952.7087  0.0183 -5.1729 3  223.5216284  59516140435 630 4    34 331 4      C-13-H3C(O)CH3
  892952.8844  0.0165 -5.4956 3  223.5216284  59516140435 530 3    34 331 3      C-13-H3C(O)CH3
  892952.8844  0.0165 -5.3734 3  223.5216284  59516140435 530 3    34 431 3      C-13-H3C(O)CH3
  892952.8844  0.0165 -5.4956 3  223.5216284  59516140435 630 3    34 431 3      C-13-H3C(O)CH3
  892952.8844  0.0165 -5.3734 3  223.5216284  59516140435 630 3    34 331 3      C-13-H3C(O)CH3
  892990.5094  0.0079 -4.3952 3  365.5067316  595161404391623 4    381524 4      C-13-H3C(O)CH3
  892990.5206  0.0079 -4.3952 3  365.5067316  595161404391723 4    381424 4      C-13-H3C(O)CH3
  892990.7510  0.0078 -4.3952 3  365.5067316  595161404391623 3    381524 3      C-13-H3C(O)CH3
  892990.7622  0.0078 -4.3952 3  365.5067316  595161404391723 3    381424 3      C-13-H3C(O)CH3
  892991.2089  0.0063 -3.5499 3  661.6407776 -595161404483711 1    473611 1      C-13-H3C(O)CH3
  892995.7537  0.0072 -4.0944 3  365.5333632  595161404391623 2    381524 2      C-13-H3C(O)CH3
  892995.7645  0.0072 -4.0944 3  365.5333632  595161404391723 2    381424 2      C-13-H3C(O)CH3
  893007.4787  0.0071 -4.0943 3  365.5351632  595161404391623 1    381524 1      C-13-H3C(O)CH3
  893007.4888  0.0071 -4.0943 3  365.5351632  595161404391723 1    381424 1      C-13-H3C(O)CH3
  893012.5102  0.0061 -4.0945 3  365.5617632  595161404391623 0    381524 0      C-13-H3C(O)CH3
  893012.5199  0.0061 -4.0945 3  365.5617632  595161404391723 0    381424 0      C-13-H3C(O)CH3
  893012.5720  0.0090 -3.8511 3  661.6733388  595161404483711 4    473611 4      C-13-H3C(O)CH3
  893016.6640  0.4337 -5.0706 3 1039.4516500  595161404623626 3    613725 3      C-13-H3C(O)CH3
  893038.6488  0.4182 -5.0707 3 1039.4510500  595161404623626 4    613725 4      C-13-H3C(O)CH3
  893046.1820  0.0063 -3.5498 3  661.6317776 -595161404483712 2    473612 2      C-13-H3C(O)CH3
  893051.6891  0.0065 -3.5498 3  661.6146776 -595161404483712 1    473612 1      C-13-H3C(O)CH3
  893073.3026  0.0086 -3.8511 3  661.6473388  595161404483712 3    473612 3      C-13-H3C(O)CH3
  893111.0049  0.0791 -5.1017 3 1274.7508C24  595161404762057 0    751956 0      C-13-H3C(O)CH3
  893111.0049  0.0791 -4.6931 3 1274.7508C24  595161404761957 0    751956 0      C-13-H3C(O)CH3
  893111.0049  0.0791 -4.6931 3 1274.7508C24  595161404762057 0    752056 0      C-13-H3C(O)CH3
  893111.0049  0.0791 -5.1017 3 1274.7508C24  595161404761957 0    752056 0      C-13-H3C(O)CH3
  893119.9050  0.0081 -3.8509 3  661.6540388  595161404483711 3    473611 3      C-13-H3C(O)CH3
  893137.6458  0.0797 -4.7669 3 1274.7659C24  595161404761957 1    751956 1      C-13-H3C(O)CH3
  893137.6458  0.0797 -4.9556 3 1274.7659C24  595161404761957 1    752056 1      C-13-H3C(O)CH3
  893137.6458  0.0797 -4.9556 3 1274.7659C24  595161404762057 1    751956 1      C-13-H3C(O)CH3
  893137.6458  0.0797 -4.7669 3 1274.7659C24  595161404762057 1    752056 1      C-13-H3C(O)CH3
  893139.4042  0.0811 -4.7046 3 1274.7665C24  595161404761957 2    752056 2      C-13-H3C(O)CH3
  893139.4042  0.0811 -4.7046 3 1274.7665C24  595161404762057 2    751956 2      C-13-H3C(O)CH3
  893139.4042  0.0811 -5.0738 3 1274.7665C24  595161404762057 2    752056 2      C-13-H3C(O)CH3
  893139.4042  0.0811 -5.0738 3 1274.7665C24  595161404761957 2    751956 2      C-13-H3C(O)CH3
  893166.0776  0.0685 -5.1267 3 1274.7817612  595161404762057 3    752056 3      C-13-H3C(O)CH3
  893166.0776  0.0685 -5.1267 3 1274.7817612  595161404761957 3    751956 3      C-13-H3C(O)CH3
  893166.0776  0.0685 -5.1792 3 1274.7817612  595161404761957 3    752056 3      C-13-H3C(O)CH3
  893166.0776  0.0685 -5.1792 3 1274.7817612  595161404762057 3    751956 3      C-13-H3C(O)CH3
  893166.1241  0.0685 -4.9564 3 1274.7817612  595161404762057 4    751956 4      C-13-H3C(O)CH3
  893166.1241  0.0685 -5.5180 3 1274.7817612  595161404762057 4    752056 4      C-13-H3C(O)CH3
  893166.1241  0.0685 -4.9564 3 1274.7817612  595161404761957 4    752056 4      C-13-H3C(O)CH3
  893166.1241  0.0685 -5.5180 3 1274.7817612  595161404761957 4    751956 4      C-13-H3C(O)CH3
  893180.5521  0.0088 -3.8508 3  661.6278388  595161404483712 4    473612 4      C-13-H3C(O)CH3
  893194.5892  0.0068 -3.6560 3  671.7809792 -595161404493515 0    483414 0      C-13-H3C(O)CH3
  893208.4587  0.0068 -3.6560 3  671.7805792  595161404493514 0    483415 0      C-13-H3C(O)CH3
  893213.0606  0.0312 -4.1434 3  684.4559404  595161404503317 3    493218 3      C-13-H3C(O)CH3
  893259.4640  0.0071 -3.6562 3  671.8251792 -595161404493514 2    483414 2      C-13-H3C(O)CH3
  893287.1227  0.0073 -3.6561 3  671.8088792 -595161404493514 1    483414 1      C-13-H3C(O)CH3
  893311.3606  1.0427 -5.6137 3 1299.7393B12  595161404694227 0    684326 0      C-13-H3C(O)CH3
  893345.1269  0.0098 -3.9573 3  671.8531396  595161404493514 4    483414 4      C-13-H3C(O)CH3
  893352.1401  0.0076 -3.6559 3  671.7794792 -595161404493515 1    483415 1      C-13-H3C(O)CH3
  893368.9464  0.0455 -3.9923 3  684.4380808  595161404503317 1    493218 1      C-13-H3C(O)CH3
  893382.9535  0.0074 -3.6556 3  671.7900792 -595161404493515 2    483415 2      C-13-H3C(O)CH3
  893385.5928  0.0315 -6.0448 3  184.7842276  59516140434 232 3    33 133 3      C-13-H3C(O)CH3
  893385.5928  0.0315 -6.0448 3  184.7842276  59516140434 332 3    33 033 3      C-13-H3C(O)CH3
  893410.2545  0.0101 -3.9580 3  671.8237396  595161404493514 3    483414 3      C-13-H3C(O)CH3
  893468.9022  0.0100 -3.9577 3  671.8180396  595161404493515 3    483415 3      C-13-H3C(O)CH3
  893533.8275  0.0106 -3.9565 3  671.7886396  595161404493515 4    483415 4      C-13-H3C(O)CH3
  893553.7365  0.0158 -5.8324 3  223.4964568  59516140435 530 2    34 431 2      C-13-H3C(O)CH3
  893553.7365  0.0158 -4.8724 3  223.4964568  59516140435 530 2    34 331 2      C-13-H3C(O)CH3
  893553.7365  0.0158 -5.8324 3  223.4964568  59516140435 630 2    34 331 2      C-13-H3C(O)CH3
  893553.7365  0.0158 -4.8724 3  223.4964568  59516140435 630 2    34 431 2      C-13-H3C(O)CH3
  893557.2114  0.0172 -4.8328 3  223.4969568  59516140435 530 1    34 331 1      C-13-H3C(O)CH3
  893557.2114  0.0172 -4.8328 3  223.4969568  59516140435 630 1    34 431 1      C-13-H3C(O)CH3
  893577.8325  0.6223 -5.2256 3 1075.6735508  595161404633726 3    623825 3      C-13-H3C(O)CH3
  893609.3417  0.5979 -5.2259 3 1075.6726508  595161404633726 4    623825 4      C-13-H3C(O)CH3
  893634.6211  0.3495 -4.7669 3 1039.4374A00  595161404623626 1    613725 1      C-13-H3C(O)CH3
  893641.1003  0.0732 -4.0893 3  684.4401808  595161404503317 2    493218 2      C-13-H3C(O)CH3
  893714.0318  0.0494 -4.5895 3 1349.2937D52  595161404841174 0    831073 0      C-13-H3C(O)CH3
  893714.0318  0.0494 -5.9928 3 1349.2937D52  595161404841174 0    831173 0      C-13-H3C(O)CH3
  893714.0318  0.0494 -4.5895 3 1349.2937D52  595161404841074 0    831173 0      C-13-H3C(O)CH3
  893714.0318  0.0494 -5.9928 3 1349.2937D52  595161404841074 0    831073 0      C-13-H3C(O)CH3
  893745.6762  0.0621 -4.6125 3 1349.2823D52  595161404841174 2    831173 2      C-13-H3C(O)CH3
  893745.6762  0.0621 -5.6289 3 1349.2823D52  595161404841174 2    831073 2      C-13-H3C(O)CH3
  893745.6762  0.0621 -4.6125 3 1349.2823D52  595161404841074 2    831073 2      C-13-H3C(O)CH3
  893745.6762  0.0621 -5.6289 3 1349.2823D52  595161404841074 2    831173 2      C-13-H3C(O)CH3
  893745.8799  0.0662 -4.6136 3 1349.2825D52  595161404841174 1    831173 1      C-13-H3C(O)CH3
  893745.8799  0.0662 -4.6136 3 1349.2825D52  595161404841074 1    831073 1      C-13-H3C(O)CH3
  893745.8799  0.0662 -5.6182 3 1349.2825D52  595161404841074 1    831173 1      C-13-H3C(O)CH3
  893745.8799  0.0662 -5.6182 3 1349.2825D52  595161404841174 1    831073 1      C-13-H3C(O)CH3
  893777.5443  0.0524 -5.7550 3 1349.2711676  595161404841174 3    831073 3      C-13-H3C(O)CH3
  893777.5443  0.0524 -5.7550 3 1349.2711676  595161404841074 3    831173 3      C-13-H3C(O)CH3
  893777.5443  0.0524 -4.9348 3 1349.2711676  595161404841174 3    831173 3      C-13-H3C(O)CH3
  893777.5443  0.0524 -4.9348 3 1349.2711676  595161404841074 3    831073 3      C-13-H3C(O)CH3
  893777.5851  0.0524 -5.0675 3 1349.2711676  595161404841174 4    831173 4      C-13-H3C(O)CH3
  893777.5851  0.0524 -5.3171 3 1349.2711676  595161404841174 4    831073 4      C-13-H3C(O)CH3
  893777.5851  0.0524 -5.0675 3 1349.2711676  595161404841074 4    831073 4      C-13-H3C(O)CH3
  893777.5851  0.0524 -5.3171 3 1349.2711676  595161404841074 4    831173 4      C-13-H3C(O)CH3
  893785.2724  0.4857 -4.7664 3 1039.4378A00  595161404623626 2    613725 2      C-13-H3C(O)CH3
  893800.6093  0.0810 -4.1405 3  761.1967856  595161404533321 0    523220 0      C-13-H3C(O)CH3
  894037.2226  0.0159 -4.8366 3 1375.6065732  59516140491 389 4    90 388 4      C-13-H3C(O)CH3
  894037.2368  0.0159 -4.8371 3 1375.6065732 -59516140491 289 3    90 388 3      C-13-H3C(O)CH3
  894037.2368  0.0159 -4.8366 3 1375.6065732 -59516140491 289 4    90 288 4      C-13-H3C(O)CH3
  894037.2368  0.0159 -4.8371 3 1375.6065732 -59516140491 389 3    90 288 3      C-13-H3C(O)CH3
  894060.3509  0.0173 -4.5436 3 1375.6188E64 -59516140491 389 1    90 388 1      C-13-H3C(O)CH3
  894060.3509  0.0173 -5.8833 3 1375.6188E64 -59516140491 389 1    90 288 1      C-13-H3C(O)CH3
  894060.3509  0.0217 -4.5909 3 1375.6183E64 -59516140491 389 2    90 288 2      C-13-H3C(O)CH3
  894060.3509  0.0217 -5.4582 3 1375.6183E64 -59516140491 289 2    90 288 2      C-13-H3C(O)CH3
  894060.3509  0.0217 -4.5909 3 1375.6183E64 -59516140491 289 2    90 388 2      C-13-H3C(O)CH3
  894060.3509  0.0173 -4.5556 3 1375.6188E64 -59516140491 289 1    90 288 1      C-13-H3C(O)CH3
  894060.3509  0.0217 -5.4582 3 1375.6183E64 -59516140491 389 2    90 388 2      C-13-H3C(O)CH3
  894083.4111  0.0147 -4.5565 3 1375.6306E64  59516140491 389 0    90 388 0      C-13-H3C(O)CH3
  894083.4111  0.0147 -4.5565 3 1375.6306E64  59516140491 289 0    90 288 0      C-13-H3C(O)CH3
  894084.0208  0.0147 -5.8635 3 1375.6306E64 -59516140491 389 0    90 288 0      C-13-H3C(O)CH3
  894084.0208  0.0147 -5.8635 3 1375.6306E64 -59516140491 289 0    90 388 0      C-13-H3C(O)CH3
  894138.2452  0.0568 -4.4800 3 1115.6901A64  595161404663036 0    653135 0      C-13-H3C(O)CH3
  894138.2479  0.0568 -4.4800 3 1115.6901A64  595161404663136 0    653035 0      C-13-H3C(O)CH3
  894156.8104  0.0149 -4.8894 3  223.4719568  59516140435 630 0    34 331 0      C-13-H3C(O)CH3
  894156.8104  0.0149 -5.6960 3  223.4719568  59516140435 530 0    34 331 0      C-13-H3C(O)CH3
  894156.8104  0.0149 -4.8894 3  223.4719568  59516140435 530 0    34 431 0      C-13-H3C(O)CH3
  894156.8104  0.0149 -5.6960 3  223.4719568  59516140435 630 0    34 431 0      C-13-H3C(O)CH3
  894160.1404  0.0571 -4.4801 3 1115.7058A64  595161404663036 1    653135 1      C-13-H3C(O)CH3
  894160.1439  0.0571 -4.4801 3 1115.7058A64  595161404663136 1    653035 1      C-13-H3C(O)CH3
  894162.4612  0.0597 -4.4801 3 1115.7075A64  595161404663036 2    653135 2      C-13-H3C(O)CH3
  894162.4642  0.0597 -4.4801 3 1115.7075A64  595161404663136 2    653035 2      C-13-H3C(O)CH3
  894166.7238  0.0778 -4.8719 3 1288.5055C40  595161404771959 0    761858 0      C-13-H3C(O)CH3
  894166.7238  0.0778 -4.8505 3 1288.5055C40  595161404771859 0    761858 0      C-13-H3C(O)CH3
  894166.7238  0.0778 -4.8719 3 1288.5055C40  595161404771859 0    761958 0      C-13-H3C(O)CH3
  894166.7238  0.0778 -4.8505 3 1288.5055C40  595161404771959 0    761958 0      C-13-H3C(O)CH3
  894184.3921  0.0558 -4.7811 3 1115.7232532  595161404663036 3    653135 3      C-13-H3C(O)CH3
  894184.3960  0.0558 -4.7811 3 1115.7232532  595161404663136 3    653035 3      C-13-H3C(O)CH3
  894184.4272  0.0558 -4.7811 3 1115.7232532  595161404663036 4    653135 4      C-13-H3C(O)CH3
  894184.4309  0.0558 -4.7811 3 1115.7232532  595161404663136 4    653035 4      C-13-H3C(O)CH3
  894194.9041  0.0111 -3.3430 3  651.1511728  5951614044544 1 0    4443 1 0      C-13-H3C(O)CH3
  894194.9041  0.0111 -3.3430 3  651.1511728  5951614044544 2 0    4443 2 0      C-13-H3C(O)CH3
  894195.0958  0.0778 -4.5612 3 1288.5195C40  595161404771859 1    761858 1      C-13-H3C(O)CH3
  894195.0958  0.0778 -4.5612 3 1288.5195C40  595161404771959 1    761958 1      C-13-H3C(O)CH3
  894196.6394  0.0795 -4.5875 3 1288.5200C40  595161404771959 2    761958 2      C-13-H3C(O)CH3
  894196.6394  0.0795 -4.5875 3 1288.5200C40  595161404771859 2    761858 2      C-13-H3C(O)CH3
  894196.6394  0.0795 -5.7720 3 1288.5200C40  595161404771859 2    761958 2      C-13-H3C(O)CH3
  894196.6394  0.0795 -5.7720 3 1288.5200C40  595161404771959 2    761858 2      C-13-H3C(O)CH3
  894225.0446  0.0679 -5.9109 3 1288.5340620  595161404771859 3    761858 3      C-13-H3C(O)CH3
  894225.0446  0.0679 -4.9016 3 1288.5340620  595161404771959 3    761858 3      C-13-H3C(O)CH3
  894225.0446  0.0679 -4.9016 3 1288.5340620  595161404771859 3    761958 3      C-13-H3C(O)CH3
  894225.0446  0.0679 -5.9109 3 1288.5340620  595161404771959 3    761958 3      C-13-H3C(O)CH3
  894225.0928  0.0679 -4.9385 3 1288.5341620  595161404771959 4    761958 4      C-13-H3C(O)CH3
  894225.0928  0.0679 -5.6481 3 1288.5341620  595161404771859 4    761958 4      C-13-H3C(O)CH3
  894225.0928  0.0679 -4.9385 3 1288.5341620  595161404771859 4    761858 4      C-13-H3C(O)CH3
  894225.0928  0.0679 -5.6481 3 1288.5341620  595161404771959 4    761858 4      C-13-H3C(O)CH3
  894277.5229  0.0526 -4.4766 3 1094.8896A48  595161404653134 0    643233 0      C-13-H3C(O)CH3
  894277.6596  0.0526 -4.4766 3 1094.8896A48  595161404653234 0    643133 0      C-13-H3C(O)CH3
  894303.2897  0.0528 -4.4767 3 1094.9041A48  595161404653134 1    643233 1      C-13-H3C(O)CH3
  894303.4519  0.0528 -4.4767 3 1094.9041A48  595161404653234 1    643133 1      C-13-H3C(O)CH3
  894305.8593  0.0557 -4.4767 3 1094.9060A48  595161404653134 2    643233 2      C-13-H3C(O)CH3
  894306.0076  0.0557 -4.4767 3 1094.9059A48  595161404653234 2    643133 2      C-13-H3C(O)CH3
  894306.3945  0.0122 -3.3430 3  651.2094728 -5951614044544 1 1    4443 1 1      C-13-H3C(O)CH3
  894331.6705  0.0529 -4.7778 3 1094.9205524  595161404653134 3    643233 3      C-13-H3C(O)CH3
  894331.7121  0.0529 -4.7778 3 1094.9205524  595161404653134 4    643233 4      C-13-H3C(O)CH3
  894331.8464  0.0529 -4.7778 3 1094.9205524  595161404653234 3    643133 3      C-13-H3C(O)CH3
  894331.8870  0.0529 -4.7778 3 1094.9205524  595161404653234 4    643133 4      C-13-H3C(O)CH3
  894333.8676  0.0610 -4.4864 3 1135.8241A80  595161404672938 0    663037 0      C-13-H3C(O)CH3
  894333.8677  0.0610 -4.4864 3 1135.8241A80  595161404673038 0    662937 0      C-13-H3C(O)CH3
  894335.3395  0.0426 -6.0084 3  184.7153552  59516140434 332 2    33 133 2      C-13-H3C(O)CH3
  894335.3395  0.0426 -6.0084 3  184.7153552  59516140434 232 2    33 033 2      C-13-H3C(O)CH3
  894336.1463  0.0443 -5.7748 3  184.7157552  59516140434 332 1    33 033 1      C-13-H3C(O)CH3
  894336.1463  0.0443 -5.7748 3  184.7157552  59516140434 232 1    33 133 1      C-13-H3C(O)CH3
  894350.8337  0.0135 -3.3429 3  651.1816728 -5951614044544 1 2    4443 1 2      C-13-H3C(O)CH3
  894353.3363  0.0615 -4.4865 3 1135.8406A80  595161404672938 1    663037 1      C-13-H3C(O)CH3
  894353.3364  0.0615 -4.4865 3 1135.8406A80  595161404673038 1    662937 1      C-13-H3C(O)CH3
  894355.5783  0.0638 -4.4866 3 1135.8422A80  595161404672938 2    663037 2      C-13-H3C(O)CH3
  894355.5784  0.0638 -4.4866 3 1135.8422A80  595161404673038 2    662937 2      C-13-H3C(O)CH3
  894375.0779  0.0586 -4.7876 3 1135.8587540  595161404672938 3    663037 3      C-13-H3C(O)CH3
  894375.0780  0.0586 -4.7876 3 1135.8587540  595161404673038 3    662937 3      C-13-H3C(O)CH3
  894375.1099  0.0586 -4.7876 3 1135.8588540  595161404672938 4    663037 4      C-13-H3C(O)CH3
  894375.1100  0.0586 -4.7876 3 1135.8588540  595161404673038 4    662937 4      C-13-H3C(O)CH3
  894376.9554  0.0680 -4.1391 3  761.1849856  595161404533321 1    523220 1      C-13-H3C(O)CH3
  894381.8841  0.0130 -3.3427 3  651.1200728 -5951614044544 2 2    4443 2 2      C-13-H3C(O)CH3
  894383.4056  0.3773 -4.7637 3 1039.4240A00  595161404623626 0    613725 0      C-13-H3C(O)CH3
  894401.9409  0.4949 -4.9216 3 1075.6556A16  595161404633726 1    623825 1      C-13-H3C(O)CH3
  894445.8448  0.0120 -3.3427 3  651.1467728 -5951614044544 2 1    4443 2 1      C-13-H3C(O)CH3
  894462.9707  0.0190 -3.6439 3  651.2399364  5951614044544 1 4    4443 1 4      C-13-H3C(O)CH3
  894493.3867  0.0192 -3.6438 3  651.1783364  5951614044544 2 3    4443 1 3      C-13-H3C(O)CH3
  894536.6542  0.1069 -4.1388 3  761.1798856  595161404533321 2    523220 2      C-13-H3C(O)CH3
  894601.8766  0.0197 -3.6436 3  651.1771364  5951614044544 1 3    4443 2 3      C-13-H3C(O)CH3
  894626.1654  0.6910 -4.9210 3 1075.6555A16  595161404633726 2    623825 2      C-13-H3C(O)CH3
  894632.2109  0.0204 -3.6435 3  651.1156364  5951614044544 2 4    4443 2 4      C-13-H3C(O)CH3
  894679.7190  0.1177 -4.6698 3  684.4352404  595161404503317 4    493218 4      C-13-H3C(O)CH3
  894755.7605  0.0652 -4.4954 3 1155.3227A96  595161404682840 0    672939 0      C-13-H3C(O)CH3
  894755.7605  0.0652 -4.4956 3 1155.3227A96  595161404682940 0    672839 0      C-13-H3C(O)CH3
  894773.7625  0.0658 -4.4950 3 1155.3397A96  595161404682840 1    672939 1      C-13-H3C(O)CH3
  894773.7625  0.0658 -4.4950 3 1155.3397A96  595161404682940 1    672839 1      C-13-H3C(O)CH3
  894776.0113  0.0678 -4.4956 3 1155.3413A96  595161404682840 2    672939 2      C-13-H3C(O)CH3
  894776.0113  0.0678 -4.4983 3 1155.3413A96  595161404682940 2    672839 2      C-13-H3C(O)CH3
  894794.0418  0.0612 -4.7962 3 1155.3584548  595161404682840 3    672939 3      C-13-H3C(O)CH3
  894794.0418  0.0612 -4.7961 3 1155.3584548  595161404682940 3    672839 3      C-13-H3C(O)CH3
  894794.0726  0.0612 -4.7961 3 1155.3585548  595161404682840 4    672939 4      C-13-H3C(O)CH3
  894794.0726  0.0612 -4.7961 3 1155.3585548  595161404682940 4    672839 4      C-13-H3C(O)CH3
  894904.5078  0.0508 -4.6959 3 1358.1734D68  595161404851076 0    841075 0      C-13-H3C(O)CH3
  894904.5078  0.0508 -5.1971 3 1358.1734D68  59516140485 976 0    841075 0      C-13-H3C(O)CH3
  894904.5078  0.0508 -4.6959 3 1358.1734D68  59516140485 976 0    84 975 0      C-13-H3C(O)CH3
  894904.5078  0.0508 -5.1971 3 1358.1734D68  595161404851076 0    84 975 0      C-13-H3C(O)CH3
  894932.6722  0.0686 -5.1086 3 1358.1569D68  59516140485 976 2    841075 2      C-13-H3C(O)CH3
  894932.6722  0.0686 -4.7279 3 1358.1569D68  59516140485 976 2    84 975 2      C-13-H3C(O)CH3
  894932.6722  0.0686 -4.7279 3 1358.1569D68  595161404851076 2    841075 2      C-13-H3C(O)CH3
  894932.6722  0.0686 -5.1086 3 1358.1569D68  595161404851076 2    84 975 2      C-13-H3C(O)CH3
  894932.8818  0.0731 -4.9995 3 1358.1570D68  595161404851076 1    84 975 1      C-13-H3C(O)CH3
  894932.8818  0.0731 -4.7828 3 1358.1570D68  59516140485 976 1    84 975 1      C-13-H3C(O)CH3
  894932.8818  0.0731 -4.9995 3 1358.1570D68  59516140485 976 1    841075 1      C-13-H3C(O)CH3
  894932.8818  0.0731 -4.7828 3 1358.1570D68  595161404851076 1    841075 1      C-13-H3C(O)CH3
  894941.5708  0.0484 -4.4782 3 1073.3758A32  595161404643232 0    633331 0      C-13-H3C(O)CH3
  894946.9822  0.0484 -4.4782 3 1073.3757A32  595161404643332 0    633231 0      C-13-H3C(O)CH3
  894961.0618  0.0511 -4.9922 3 1358.1405684  59516140485 976 3    841075 3      C-13-H3C(O)CH3
  894961.0618  0.0511 -5.5129 3 1358.1405684  59516140485 976 3    84 975 3      C-13-H3C(O)CH3
  894961.0618  0.0511 -5.2612 3 1358.1405684  595161404851076 3    84 975 3      C-13-H3C(O)CH3
  894961.0618  0.0511 -5.1095 3 1358.1405684  595161404851076 3    841075 3      C-13-H3C(O)CH3
  894961.0939  0.0512 -4.8789 3 1358.1405684  59516140485 976 4    841075 4      C-13-H3C(O)CH3
  894961.0939  0.0512 -4.8789 3 1358.1405684  595161404851076 4    84 975 4      C-13-H3C(O)CH3
  894967.6094  0.0250 -4.0518 3  485.4286696  595161404432419 2    422320 2      C-13-H3C(O)CH3
  894973.4439  0.0486 -4.4783 3 1073.3888A32  595161404643232 1    633331 1      C-13-H3C(O)CH3
  894974.4926  0.0261 -4.3525 3  485.4074348  595161404432419 3    422320 3      C-13-H3C(O)CH3
  894976.6912  0.0516 -4.4783 3 1073.3907A32  595161404643232 2    633331 2      C-13-H3C(O)CH3
  894978.9774  0.0264 -4.3525 3  485.4074348  595161404432419 4    422320 4      C-13-H3C(O)CH3
  894979.5144  0.0486 -4.4783 3 1073.3886A32  595161404643332 1    633231 1      C-13-H3C(O)CH3
  894982.4774  0.0514 -4.4783 3 1073.3905A32  595161404643332 2    633231 2      C-13-H3C(O)CH3
  895008.6106  0.0498 -4.7794 3 1073.4036516  595161404643232 3    633331 3      C-13-H3C(O)CH3
  895008.6748  0.0498 -4.7794 3 1073.4037516  595161404643232 4    633331 4      C-13-H3C(O)CH3
  895015.0980  0.0495 -4.7794 3 1073.4035516  595161404643332 3    633231 3      C-13-H3C(O)CH3
  895015.1424  0.0496 -4.7794 3 1073.4035516  595161404643332 4    633231 4      C-13-H3C(O)CH3
  895036.0990  0.0839 -4.4406 3  761.1692428  595161404533321 4    523220 4      C-13-H3C(O)CH3
  895075.1795  0.0138 -4.0519 3  485.4539696  595161404432419 0    422320 0      C-13-H3C(O)CH3
  895083.8597  0.0131 -4.0517 3  485.4328696  595161404432419 1    422320 1      C-13-H3C(O)CH3
  895176.0475  0.1058 -4.4365 3  761.1675428  595161404533321 3    523220 3      C-13-H3C(O)CH3
  895242.0960  0.0755 -4.5696 3 1301.7156C56  595161404781761 0    771860 0      C-13-H3C(O)CH3
  895242.0960  0.0755 -4.5696 3 1301.7156C56  595161404781861 0    771760 0      C-13-H3C(O)CH3
  895272.2101  0.0749 -4.5710 3 1301.7282C56  595161404781861 1    771760 1      C-13-H3C(O)CH3
  895272.2101  0.0749 -4.5710 3 1301.7282C56  595161404781761 1    771860 1      C-13-H3C(O)CH3
  895273.5088  0.0767 -4.5710 3 1301.7285C56  595161404781861 2    771860 2      C-13-H3C(O)CH3
  895273.5088  0.0767 -4.5710 3 1301.7285C56  595161404781761 2    771760 2      C-13-H3C(O)CH3
  895283.5768  0.0411 -5.8818 3  184.6470552  59516140434 332 0    33 033 0      C-13-H3C(O)CH3
  895283.5768  0.0411 -5.8818 3  184.6470552  59516140434 232 0    33 133 0      C-13-H3C(O)CH3
  895303.6565  0.0669 -4.9716 3 1301.7411628  595161404781761 3    771860 3      C-13-H3C(O)CH3
  895303.6565  0.0669 -5.5536 3 1301.7411628  595161404781761 3    771760 3      C-13-H3C(O)CH3
  895303.6565  0.0669 -5.5536 3 1301.7411628  595161404781861 3    771860 3      C-13-H3C(O)CH3
  895303.6565  0.0669 -4.9716 3 1301.7411628  595161404781861 3    771760 3      C-13-H3C(O)CH3
  895303.7062  0.0669 -5.1041 3 1301.7412628  595161404781761 4    771860 4      C-13-H3C(O)CH3
  895303.7062  0.0669 -5.2516 3 1301.7412628  595161404781761 4    771760 4      C-13-H3C(O)CH3
  895303.7062  0.0669 -5.2516 3 1301.7412628  595161404781861 4    771860 4      C-13-H3C(O)CH3
  895303.7062  0.0669 -5.1041 3 1301.7412628  595161404781861 4    771760 4      C-13-H3C(O)CH3
  895319.4884  0.0157 -4.8372 3 1380.2308740  59516140492 291 3    91 190 3      C-13-H3C(O)CH3
  895319.4884  0.0157 -4.8372 3 1380.2308740  59516140492 191 3    91 290 3      C-13-H3C(O)CH3
  895319.5116  0.0157 -4.9823 3 1380.2309740  59516140492 191 4    91 190 4      C-13-H3C(O)CH3
  895319.5116  0.0157 -5.3732 3 1380.2309740  59516140492 191 4    91 290 4      C-13-H3C(O)CH3
  895319.5116  0.0157 -4.9823 3 1380.2309740  59516140492 291 4    91 290 4      C-13-H3C(O)CH3
  895319.5116  0.0157 -5.3732 3 1380.2309740  59516140492 291 4    91 190 4      C-13-H3C(O)CH3
  895337.4076  0.0693 -4.5845 3 1174.2078B12  595161404692842 0    682841 0      C-13-H3C(O)CH3
  895337.4076  0.0693 -5.2805 3 1174.2078B12  595161404692842 0    682741 0      C-13-H3C(O)CH3
  895337.4076  0.0693 -4.5845 3 1174.2078B12  595161404692742 0    682741 0      C-13-H3C(O)CH3
  895337.4076  0.0693 -5.2805 3 1174.2078B12  595161404692742 0    682841 0      C-13-H3C(O)CH3
  895339.1612  0.0187 -4.5342 3 1380.2159E80 -59516140492 191 1    91 190 1      C-13-H3C(O)CH3
  895339.2368  0.0244 -5.7324 3 1380.2154E80  59516140492 291 2    91 290 2      C-13-H3C(O)CH3
  895339.2368  0.0244 -4.5614 3 1380.2154E80  59516140492 191 2    91 290 2      C-13-H3C(O)CH3
  895339.2368  0.0244 -5.7324 3 1380.2154E80  59516140492 191 2    91 190 2      C-13-H3C(O)CH3
  895339.2368  0.0244 -4.5614 3 1380.2154E80  59516140492 291 2    91 190 2      C-13-H3C(O)CH3
  895339.4696  0.0187 -4.5342 3 1380.2159E80  59516140492 291 1    91 290 1      C-13-H3C(O)CH3
  895354.6413  0.0701 -4.9954 3 1174.2253B12  595161404692742 1    682741 1      C-13-H3C(O)CH3
  895354.6413  0.0701 -4.6744 3 1174.2253B12  595161404692842 1    682741 1      C-13-H3C(O)CH3
  895354.6413  0.0701 -4.6744 3 1174.2253B12  595161404692742 1    682841 1      C-13-H3C(O)CH3
  895354.6413  0.0701 -4.9954 3 1174.2253B12  595161404692842 1    682841 1      C-13-H3C(O)CH3
  895356.9356  0.0717 -4.8403 3 1174.2268B12  595161404692742 2    682741 2      C-13-H3C(O)CH3
  895356.9356  0.0717 -4.7740 3 1174.2268B12  595161404692742 2    682841 2      C-13-H3C(O)CH3
  895356.9356  0.0717 -4.8403 3 1174.2268B12  595161404692842 2    682841 2      C-13-H3C(O)CH3
  895356.9356  0.0717 -4.7740 3 1174.2268B12  595161404692842 2    682741 2      C-13-H3C(O)CH3
  895359.1998  0.0150 -4.5331 3 1380.2005E80 -59516140492 291 0    91 190 0      C-13-H3C(O)CH3
  895359.1998  0.0150 -4.5331 3 1380.2005E80 -59516140492 191 0    91 290 0      C-13-H3C(O)CH3
  895374.1967  0.0637 -4.8148 3 1174.2443556  595161404692742 3    682841 3      C-13-H3C(O)CH3
  895374.1967  0.0637 -4.8148 3 1174.2443556  595161404692842 3    682741 3      C-13-H3C(O)CH3
  895374.2273  0.0637 -4.8668 3 1174.2444556  595161404692842 4    682741 4      C-13-H3C(O)CH3
  895374.2273  0.0637 -4.8361 3 1174.2444556  595161404692742 4    682741 4      C-13-H3C(O)CH3
  895374.2273  0.0637 -5.9789 3 1174.2444556  595161404692742 4    682841 4      C-13-H3C(O)CH3
  895374.2273  0.0637 -5.6896 3 1174.2444556  595161404692842 4    682841 4      C-13-H3C(O)CH3
  895427.7330  0.5339 -4.9179 3 1075.6383A16  595161404633726 0    623825 0      C-13-H3C(O)CH3
  896035.7778  0.0731 -4.5419 3 1192.4955B28  595161404702744 0    692643 0      C-13-H3C(O)CH3
  896035.7778  0.0731 -5.7450 3 1192.4955B28  595161404702644 0    692643 0      C-13-H3C(O)CH3
  896035.7778  0.0731 -4.5419 3 1192.4955B28  595161404702644 0    692743 0      C-13-H3C(O)CH3
  896035.7778  0.0731 -5.7450 3 1192.4955B28  595161404702744 0    692743 0      C-13-H3C(O)CH3
  896052.7886  0.0741 -5.9658 3 1192.5133B28  595161404702644 1    692743 1      C-13-H3C(O)CH3
  896052.7886  0.0741 -4.5313 3 1192.5133B28  595161404702644 1    692643 1      C-13-H3C(O)CH3
  896052.7886  0.0741 -5.9658 3 1192.5133B28  595161404702744 1    692643 1      C-13-H3C(O)CH3
  896052.7886  0.0741 -4.5313 3 1192.5133B28  595161404702744 1    692743 1      C-13-H3C(O)CH3
  896055.1373  0.0755 -5.4805 3 1192.5148B28  595161404702644 2    692743 2      C-13-H3C(O)CH3
  896055.1373  0.0755 -4.5654 3 1192.5148B28  595161404702644 2    692643 2      C-13-H3C(O)CH3
  896055.1373  0.0755 -4.5276 3 1192.5148B28  595161404702744 2    692743 2      C-13-H3C(O)CH3
  896072.1751  0.0660 -4.9514 3 1192.5326564  595161404702644 3    692643 3      C-13-H3C(O)CH3
  896072.1751  0.0660 -5.3906 3 1192.5326564  595161404702644 3    692743 3      C-13-H3C(O)CH3
  896072.1751  0.0660 -5.3906 3 1192.5326564  595161404702744 3    692643 3      C-13-H3C(O)CH3
  896072.1751  0.0660 -4.9514 3 1192.5326564  595161404702744 3    692743 3      C-13-H3C(O)CH3
  896072.2063  0.0660 -4.8316 3 1192.5326564  595161404702644 4    692743 4      C-13-H3C(O)CH3
  896072.2063  0.0660 -4.8316 3 1192.5326564  595161404702744 4    692643 4      C-13-H3C(O)CH3
  896098.7059  0.0527 -4.7572 3 1366.5218D84 -59516140486 978 0    85 977 0      C-13-H3C(O)CH3
  896098.7059  0.0527 -4.7572 3 1366.5218D84 -59516140486 878 0    85 877 0      C-13-H3C(O)CH3
  896098.7059  0.0527 -5.0556 3 1366.5218D84 -59516140486 878 0    85 977 0      C-13-H3C(O)CH3
  896098.7059  0.0527 -5.0556 3 1366.5218D84 -59516140486 978 0    85 877 0      C-13-H3C(O)CH3
  896128.3639  0.0061 -3.3945 3  655.2923744  5951614044642 4 0    4541 4 0      C-13-H3C(O)CH3
  896128.3639  0.0061 -3.3945 3  655.2923744  5951614044642 5 0    4541 5 0      C-13-H3C(O)CH3
  896132.0998  0.0745 -5.6886 3 1366.5000D84  59516140486 878 2    85 977 2      C-13-H3C(O)CH3
  896132.0998  0.0745 -4.6154 3 1366.5000D84  59516140486 878 2    85 877 2      C-13-H3C(O)CH3
  896132.0998  0.0745 -5.6886 3 1366.5000D84  59516140486 978 2    85 877 2      C-13-H3C(O)CH3
  896132.0998  0.0745 -4.6154 3 1366.5000D84  59516140486 978 2    85 977 2      C-13-H3C(O)CH3
  896132.2544  0.0788 -4.9944 3 1366.5001D84  59516140486 978 1    85 877 1      C-13-H3C(O)CH3
  896132.2544  0.0788 -4.7915 3 1366.5001D84  59516140486 878 1    85 877 1      C-13-H3C(O)CH3
  896132.2544  0.0788 -4.9944 3 1366.5001D84  59516140486 878 1    85 977 1      C-13-H3C(O)CH3
  896132.2544  0.0788 -4.7915 3 1366.5001D84  59516140486 978 1    85 977 1      C-13-H3C(O)CH3
  896155.5457  0.0497 -4.8815 3 1366.4783692  59516140486 878 3    85 977 3      C-13-H3C(O)CH3
  896155.5457  0.0497 -4.8815 3 1366.4783692  59516140486 978 3    85 877 3      C-13-H3C(O)CH3
  896155.5659  0.0497 -4.9673 3 1366.4783692  59516140486 978 4    85 977 4      C-13-H3C(O)CH3
  896155.5659  0.0497 -4.9673 3 1366.4783692  59516140486 878 4    85 877 4      C-13-H3C(O)CH3
  896155.5659  0.0497 -5.6262 3 1366.4783692  59516140486 878 4    85 977 4      C-13-H3C(O)CH3
  896155.5659  0.0497 -5.6262 3 1366.4783692  59516140486 978 4    85 877 4      C-13-H3C(O)CH3
  896218.3511  0.0073 -3.3945 3  655.3070744 -5951614044642 4 2    4541 4 2      C-13-H3C(O)CH3
  896238.1436  0.0069 -3.3944 3  655.3290744 -5951614044642 4 1    4541 4 1      C-13-H3C(O)CH3
  896246.0464  0.0068 -3.3944 3  655.2732744 -5951614044642 5 2    4541 5 2      C-13-H3C(O)CH3
  896321.9694  0.0067 -3.3943 3  655.2788744 -5951614044642 5 1    4541 5 1      C-13-H3C(O)CH3
  896326.0168  0.0299 -4.3388 3  472.8454680  595161404422716 0    412417 0      C-13-H3C(O)CH3
  896327.9003  0.0111 -3.6954 3  655.3434372  5951614044642 4 4    4541 4 4      C-13-H3C(O)CH3
  896335.1196  0.0723 -5.1805 3 1314.3834C72  595161404791763 0    781662 0      C-13-H3C(O)CH3
  896335.1196  0.0723 -5.1805 3 1314.3834C72  595161404791663 0    781762 0      C-13-H3C(O)CH3
  896335.1196  0.0723 -4.7036 3 1314.3834C72  595161404791663 0    781662 0      C-13-H3C(O)CH3
  896335.1196  0.0723 -4.7036 3 1314.3834C72  595161404791763 0    781762 0      C-13-H3C(O)CH3
  896355.3119  0.0103 -3.6954 3  655.3098372  5951614044642 4 3    4541 4 3      C-13-H3C(O)CH3
  896366.8971  0.0712 -5.5448 3 1314.3942C72  595161404791763 1    781662 1      C-13-H3C(O)CH3
  896366.8971  0.0712 -4.6283 3 1314.3942C72  595161404791763 1    781762 1      C-13-H3C(O)CH3
  896366.8971  0.0712 -4.6283 3 1314.3942C72  595161404791663 1    781662 1      C-13-H3C(O)CH3
  896366.8971  0.0712 -5.5448 3 1314.3942C72  595161404791663 1    781762 1      C-13-H3C(O)CH3
  896367.9304  0.0729 -4.5803 3 1314.3944C72  595161404791663 2    781662 2      C-13-H3C(O)CH3
  896367.9304  0.0729 -4.5803 3 1314.3944C72  595161404791763 2    781762 2      C-13-H3C(O)CH3
  896399.7415  0.0656 -4.8886 3 1314.4052636  595161404791663 3    781662 3      C-13-H3C(O)CH3
  896399.7415  0.0656 -4.8886 3 1314.4052636  595161404791763 3    781762 3      C-13-H3C(O)CH3
  896399.7925  0.0656 -4.8805 3 1314.4053636  595161404791663 4    781762 4      C-13-H3C(O)CH3
  896399.7925  0.0656 -4.8805 3 1314.4053636  595161404791763 4    781662 4      C-13-H3C(O)CH3
  896411.1197  0.0105 -3.6953 3  655.2933372  5951614044642 5 3    4541 5 3      C-13-H3C(O)CH3
  896439.1092  0.0104 -3.6953 3  655.2596372  5951614044642 5 4    4541 5 4      C-13-H3C(O)CH3
  896443.9386  0.0445 -4.4884 3 1051.0744A16  595161404633330 0    623429 0      C-13-H3C(O)CH3
  896481.6391  0.0448 -4.4886 3 1051.0850A16  595161404633330 1    623429 1      C-13-H3C(O)CH3
  896487.8925  0.0484 -4.4886 3 1051.0870A16  595161404633330 2    623429 2      C-13-H3C(O)CH3
  896525.4027  0.0477 -4.7898 3 1051.0976508  595161404633330 3    623429 3      C-13-H3C(O)CH3
  896525.6387  0.0476 -4.7898 3 1051.0976508  595161404633330 4    623429 4      C-13-H3C(O)CH3
  896593.7638  0.0276 -4.3402 3  472.8228680  595161404422716 1    412417 1      C-13-H3C(O)CH3
  896605.7370  0.0447 -4.4882 3 1051.0702A16  595161404633430 0    623329 0      C-13-H3C(O)CH3
  896623.3749  0.0265 -4.8492 3 1384.3437748 -59516140493 193 4    92 192 4      C-13-H3C(O)CH3
  896623.3749  0.0265 -5.7581 3 1384.3437748 -59516140493 193 3    92 092 3      C-13-H3C(O)CH3
  896623.3749  0.0265 -4.8855 3 1384.3437748 -59516140493 093 3    92 092 3      C-13-H3C(O)CH3
  896624.8157  0.0265 -4.8492 3 1384.3437748  59516140493 093 4    92 092 4      C-13-H3C(O)CH3
  896624.8387  0.0265 -5.7038 3 1384.3437748  59516140493 093 3    92 192 3      C-13-H3C(O)CH3
  896624.8387  0.0265 -4.8933 3 1384.3437748  59516140493 193 3    92 192 3      C-13-H3C(O)CH3
  896627.0179  0.0291 -4.6727 3 1384.2823E96  59516140493 193 1    92 192 1      C-13-H3C(O)CH3
  896627.0179  0.0291 -4.6834 3 1384.2823E96  59516140493 093 1    92 092 1      C-13-H3C(O)CH3
  896627.1220  0.0291 -5.0816 3 1384.2823E96 -59516140493 093 1    92 192 1      C-13-H3C(O)CH3
  896627.1220  0.0415 -5.4736 3 1384.2822E96 -59516140493 093 2    92 092 2      C-13-H3C(O)CH3
  896627.1220  0.0415 -4.5822 3 1384.2822E96 -59516140493 193 2    92 092 2      C-13-H3C(O)CH3
  896627.1220  0.0291 -5.0553 3 1384.2823E96 -59516140493 193 1    92 092 1      C-13-H3C(O)CH3
  896627.2211  0.0415 -5.4736 3 1384.2822E96  59516140493 193 2    92 192 2      C-13-H3C(O)CH3
  896627.2211  0.0415 -4.5822 3 1384.2822E96  59516140493 093 2    92 192 2      C-13-H3C(O)CH3
  896629.3799  0.0272 -4.5959 3 1384.2208E96  59516140493 193 0    92 092 0      C-13-H3C(O)CH3
  896629.3799  0.0272 -5.3782 3 1384.2208E96  59516140493 093 0    92 092 0      C-13-H3C(O)CH3
  896629.4003  0.0272 -4.5959 3 1384.2208E96 -59516140493 093 0    92 192 0      C-13-H3C(O)CH3
  896629.4003  0.0272 -5.3782 3 1384.2208E96 -59516140493 193 0    92 192 0      C-13-H3C(O)CH3
  896656.2345  0.0442 -4.4884 3 1051.0806A16  595161404633430 1    623329 1      C-13-H3C(O)CH3
  896658.3602  0.0457 -4.4884 3 1051.0826A16  595161404633430 2    623329 2      C-13-H3C(O)CH3
  896709.2451  0.0439 -4.7896 3 1051.0930508  595161404633430 4    623329 4      C-13-H3C(O)CH3
  896709.3055  0.0439 -4.7896 3 1051.0929508  595161404633430 3    623329 3      C-13-H3C(O)CH3
  896741.6838  0.0102 -5.8925 3  221.3853488  595161404301614 2    291317 2      C-13-H3C(O)CH3
  896821.8678  0.0767 -5.1978 3 1210.1981B44  595161404712546 0    702545 0      C-13-H3C(O)CH3
  896821.8678  0.0767 -4.6209 3 1210.1981B44  595161404712546 0    702645 0      C-13-H3C(O)CH3
  896821.8678  0.0767 -4.6310 3 1210.1981B44  595161404712646 0    702545 0      C-13-H3C(O)CH3
  896821.8678  0.0767 -5.2373 3 1210.1981B44  595161404712646 0    702645 0      C-13-H3C(O)CH3
  896839.1038  0.0778 -4.5388 3 1210.2161B44  595161404712546 1    702545 1      C-13-H3C(O)CH3
  896839.1038  0.0778 -4.5388 3 1210.2161B44  595161404712646 1    702645 1      C-13-H3C(O)CH3
  896841.4963  0.0790 -4.5315 3 1210.2174B44  595161404712646 2    702645 2      C-13-H3C(O)CH3
  896841.4963  0.0790 -4.5315 3 1210.2174B44  595161404712546 2    702545 2      C-13-H3C(O)CH3
  896858.7593  0.0680 -4.8439 3 1210.2354572  595161404712646 3    702545 3      C-13-H3C(O)CH3
  896858.7593  0.0680 -4.8439 3 1210.2354572  595161404712546 3    702645 3      C-13-H3C(O)CH3
  896858.7915  0.0680 -4.8704 3 1210.2355572  595161404712546 4    702545 4      C-13-H3C(O)CH3
  896858.7915  0.0680 -4.8704 3 1210.2355572  595161404712646 4    702645 4      C-13-H3C(O)CH3
  896858.7915  0.0680 -5.8582 3 1210.2355572  595161404712646 4    702545 4      C-13-H3C(O)CH3
  896858.7915  0.0680 -5.8582 3 1210.2355572  595161404712546 4    702645 4      C-13-H3C(O)CH3
  896892.4999  0.0104 -5.8914 3  221.3879488  595161404301614 1    291317 1      C-13-H3C(O)CH3
  896943.1206  0.0095 -5.8921 3  221.3999488  595161404301614 0    291317 0      C-13-H3C(O)CH3
  896974.9950  0.1145 -6.0448 3  689.8322404  595161404503417 4    493316 4      C-13-H3C(O)CH3
  897051.3878  0.0274 -4.2010 3  494.0219696  595161404432717 0    422418 0      C-13-H3C(O)CH3
  897085.4862  0.0396 -4.3452 3  472.8073680  595161404422716 2    412417 2      C-13-H3C(O)CH3
  897167.8610  0.0079 -4.4885 3  328.8180308  595161404381325 4    371226 4      C-13-H3C(O)CH3
  897167.8610  0.0079 -4.4886 3  328.8180308  595161404381425 4    371126 4      C-13-H3C(O)CH3
  897168.2877  0.0076 -4.4885 3  328.8180308  595161404381325 3    371226 3      C-13-H3C(O)CH3
  897168.2878  0.0076 -4.4885 3  328.8180308  595161404381425 3    371126 3      C-13-H3C(O)CH3
  897260.4989  0.0074 -4.1875 3  328.8412616  595161404381325 2    371226 2      C-13-H3C(O)CH3
  897260.4989  0.0074 -4.1877 3  328.8412616  595161404381425 2    371126 2      C-13-H3C(O)CH3
  897269.3427  0.0075 -4.1875 3  328.8425616  595161404381425 1    371126 1      C-13-H3C(O)CH3
  897269.3427  0.0075 -4.1876 3  328.8425616  595161404381325 1    371226 1      C-13-H3C(O)CH3
  897276.8656  0.0365 -4.6511 3  472.7850340  595161404422716 4    412417 4      C-13-H3C(O)CH3
  897279.6033  0.0263 -5.5874 3  335.4048284  595161404352610 4    342311 4      C-13-H3C(O)CH3
  897304.3730  0.0698 -4.3398 3  709.2856412  595161404513319 4    503218 4      C-13-H3C(O)CH3
  897323.3992  0.0245 -4.2017 3  493.9996696  595161404432717 1    422418 1      C-13-H3C(O)CH3
  897327.1080  0.0537 -4.5853 3 1374.3395E00  59516140487 880 0    86 879 0      C-13-H3C(O)CH3
  897327.1080  0.0537 -4.5853 3 1374.3395E00  59516140487 780 0    86 779 0      C-13-H3C(O)CH3
  897343.9844  0.0776 -5.6841 3 1374.3127E00  59516140487 880 2    86 879 2      C-13-H3C(O)CH3
  897343.9844  0.0776 -5.6841 3 1374.3127E00  59516140487 780 2    86 779 2      C-13-H3C(O)CH3
  897343.9844  0.0776 -4.6187 3 1374.3127E00  59516140487 780 2    86 879 2      C-13-H3C(O)CH3
  897343.9844  0.0776 -4.6187 3 1374.3127E00  59516140487 880 2    86 779 2      C-13-H3C(O)CH3
  897344.0410  0.0813 -4.5902 3 1374.3128E00  59516140487 780 1    86 779 1      C-13-H3C(O)CH3
  897344.0410  0.0813 -4.5902 3 1374.3128E00  59516140487 880 1    86 879 1      C-13-H3C(O)CH3
  897351.9881  0.0292 -5.6864 3  335.4062284  595161404352610 3    342311 3      C-13-H3C(O)CH3
  897360.9267  0.0476 -5.7826 3 1374.2859700  59516140487 780 3    86 879 3      C-13-H3C(O)CH3
  897360.9267  0.0476 -4.9424 3 1374.2859700  59516140487 880 3    86 879 3      C-13-H3C(O)CH3
  897360.9267  0.0476 -5.7826 3 1374.2859700  59516140487 880 3    86 779 3      C-13-H3C(O)CH3
  897360.9267  0.0476 -4.9424 3 1374.2859700  59516140487 780 3    86 779 3      C-13-H3C(O)CH3
  897360.9317  0.0476 -5.3917 3 1374.2859700  59516140487 880 4    86 879 4      C-13-H3C(O)CH3
  897360.9317  0.0476 -5.3917 3 1374.2859700  59516140487 780 4    86 779 4      C-13-H3C(O)CH3
  897360.9317  0.0476 -5.0453 3 1374.2859700  59516140487 880 4    86 779 4      C-13-H3C(O)CH3
  897360.9317  0.0476 -5.0453 3 1374.2859700  59516140487 780 4    86 879 4      C-13-H3C(O)CH3
  897361.4214  0.0066 -4.1875 3  328.8656616  595161404381425 0    371126 0      C-13-H3C(O)CH3
  897361.4214  0.0066 -4.1875 3  328.8656616  595161404381325 0    371226 0      C-13-H3C(O)CH3
  897389.1658  0.0169 -5.1450 3  335.4240568  595161404352610 1    342311 1      C-13-H3C(O)CH3
  897419.5657  0.0413 -4.6440 3  472.7847340  595161404422716 3    412417 3      C-13-H3C(O)CH3
  897444.3185  0.0684 -4.8775 3 1326.5110C88  595161404801565 0    791564 0      C-13-H3C(O)CH3
  897444.3185  0.0684 -4.8989 3 1326.5110C88  595161404801565 0    791664 0      C-13-H3C(O)CH3
  897444.3185  0.0684 -4.8989 3 1326.5110C88  595161404801665 0    791564 0      C-13-H3C(O)CH3
  897444.3185  0.0684 -4.8775 3 1326.5110C88  595161404801665 0    791664 0      C-13-H3C(O)CH3
  897477.5707  0.0669 -5.1793 3 1326.5196C88  595161404801665 1    791664 1      C-13-H3C(O)CH3
  897477.5707  0.0669 -4.7153 3 1326.5196C88  595161404801565 1    791664 1      C-13-H3C(O)CH3
  897477.5707  0.0669 -5.1793 3 1326.5196C88  595161404801565 1    791564 1      C-13-H3C(O)CH3
  897477.5707  0.0669 -4.7153 3 1326.5196C88  595161404801665 1    791564 1      C-13-H3C(O)CH3
  897478.3301  0.0684 -5.0527 3 1326.5197C88  595161404801665 2    791664 2      C-13-H3C(O)CH3
  897478.3301  0.0684 -4.7690 3 1326.5197C88  595161404801665 2    791564 2      C-13-H3C(O)CH3
  897478.3301  0.0684 -5.0527 3 1326.5197C88  595161404801565 2    791564 2      C-13-H3C(O)CH3
  897478.3301  0.0684 -4.7690 3 1326.5197C88  595161404801565 2    791664 2      C-13-H3C(O)CH3
  897492.7351  0.0204 -3.9096 3  709.2660824 -595161404513319 0    503218 0      C-13-H3C(O)CH3
  897502.7742  0.0184 -5.2764 3  335.4240568  5951614043526 9 1    342311 1      C-13-H3C(O)CH3
  897511.6156  0.0640 -4.8918 3 1326.5283644  595161404801665 3    791664 3      C-13-H3C(O)CH3
  897511.6156  0.0640 -4.8918 3 1326.5283644  595161404801565 3    791564 3      C-13-H3C(O)CH3
  897511.6675  0.0640 -4.9043 3 1326.5283644  595161404801565 4    791664 4      C-13-H3C(O)CH3
  897511.6675  0.0640 -4.9043 3 1326.5283644  595161404801665 4    791564 4      C-13-H3C(O)CH3
  897541.4081  0.0238 -5.3424 3  335.4299568  595161404352610 2    342311 2      C-13-H3C(O)CH3
  897569.0942  0.0319 -3.9552 3  709.2749824  595161404513319 2    503218 2      C-13-H3C(O)CH3
  897572.3714  0.0222 -5.3788 3  335.4062284  5951614043526 9 3    342311 3      C-13-H3C(O)CH3
  897594.6591  0.0227 -3.9364 3  709.2719824  595161404513319 1    503218 1      C-13-H3C(O)CH3
  897630.2571  0.0131 -5.3679 3  285.0510536  595161404332212 1    321715 1      C-13-H3C(O)CH3
  897645.1584  0.0315 -4.2040 3  493.9878696  595161404432717 2    422418 2      C-13-H3C(O)CH3
  897647.0901  0.1029 -4.4987 3  997.9338984  595161404613527 0    603426 0      C-13-H3C(O)CH3
  897669.6591  0.0146 -4.9068 3  335.4481568  595161404352610 0    342311 0      C-13-H3C(O)CH3
  897675.5057  0.0798 -4.5398 3 1227.3249B60  595161404722448 0    712547 0      C-13-H3C(O)CH3
  897675.5057  0.0798 -4.5398 3 1227.3249B60  595161404722548 0    712447 0      C-13-H3C(O)CH3
  897693.3474  0.0811 -4.6421 3 1227.3430B60  595161404722448 1    712447 1      C-13-H3C(O)CH3
  897693.3474  0.0811 -5.2114 3 1227.3430B60  595161404722548 1    712447 1      C-13-H3C(O)CH3
  897693.3474  0.0811 -5.2114 3 1227.3430B60  595161404722448 1    712547 1      C-13-H3C(O)CH3
  897693.3474  0.0811 -4.6421 3 1227.3430B60  595161404722548 1    712547 1      C-13-H3C(O)CH3
  897695.7597  0.0822 -4.5502 3 1227.3442B60  595161404722548 2    712447 2      C-13-H3C(O)CH3
  897695.7597  0.0822 -4.5502 3 1227.3442B60  595161404722448 2    712547 2      C-13-H3C(O)CH3
  897713.6289  0.0698 -4.8572 3 1227.3623580  595161404722548 3    712447 3      C-13-H3C(O)CH3
  897713.6289  0.0698 -4.8572 3 1227.3623580  595161404722448 3    712547 3      C-13-H3C(O)CH3
  897713.6625  0.0698 -4.8460 3 1227.3623580  595161404722448 4    712547 4      C-13-H3C(O)CH3
  897713.6625  0.0698 -4.8460 3 1227.3623580  595161404722548 4    712447 4      C-13-H3C(O)CH3
  897729.4216  0.0256 -5.4372 3  335.4048284  5951614043526 9 4    342311 4      C-13-H3C(O)CH3
  897758.9538  0.0139 -5.6728 3  285.0258268  595161404332212 3    321715 3      C-13-H3C(O)CH3
  897780.8576  0.0132 -5.6688 3  285.0259268  595161404332212 4    321715 4      C-13-H3C(O)CH3
  897808.1434  0.0131 -5.3691 3  285.0690536  595161404332212 0    321715 0      C-13-H3C(O)CH3
  897840.8432  0.0065 -4.0601 3  395.3494648  595161404401822 0    391723 0      C-13-H3C(O)CH3
  897841.3413  0.0065 -4.0601 3  395.3494648  595161404401922 0    391623 0      C-13-H3C(O)CH3
  897854.3270  0.0885 -5.2532 3  689.8016808  595161404503417 2    493316 2      C-13-H3C(O)CH3
  897861.7384  0.0078 -4.0599 3  395.3205648  595161404401822 2    391723 2      C-13-H3C(O)CH3
  897862.2763  0.0078 -4.0599 3  395.3205648  595161404401922 2    391623 2      C-13-H3C(O)CH3
  897869.2493  0.0056 -3.4557 3  661.0492760 -5951614044740 8 0    4639 7 0      C-13-H3C(O)CH3
  897869.2493  0.0056 -3.4557 3  661.0492760 -5951614044740 7 0    4639 8 0      C-13-H3C(O)CH3
  897871.1871  0.0188 -4.9073 3  370.6191600  595161404372612 1    362313 1      C-13-H3C(O)CH3
  897875.7538  0.0206 -5.1040 3  335.4299568  5951614043526 9 2    342311 2      C-13-H3C(O)CH3
  897876.1794  0.0072 -4.0599 3  395.3227648  595161404401822 1    391723 1      C-13-H3C(O)CH3
  897876.6956  0.0072 -4.0599 3  395.3227648  595161404401922 1    391623 1      C-13-H3C(O)CH3
  897881.0480  0.0269 -4.5063 3  493.9656348  595161404432717 4    422418 4      C-13-H3C(O)CH3
  897892.0166  0.0275 -5.3280 3  370.5946300  595161404372612 4    362313 4      C-13-H3C(O)CH3
  897897.0751  0.0086 -4.3606 3  395.2936324  595161404401822 4    391723 4      C-13-H3C(O)CH3
  897897.1844  0.0086 -4.3607 3  395.2937324  595161404401822 3    391723 3      C-13-H3C(O)CH3
  897897.6301  0.0086 -4.3606 3  395.2936324  595161404401922 4    391623 4      C-13-H3C(O)CH3
  897897.7421  0.0086 -4.3606 3  395.2937324  595161404401922 3    391623 3      C-13-H3C(O)CH3
  897906.0577  0.0069 -3.4557 3  661.0650760 -5951614044740 7 2    4639 7 2      C-13-H3C(O)CH3
  897914.4918  0.1079 -4.4990 3  997.9346984  595161404613527 2    603426 2      C-13-H3C(O)CH3
  897935.2799  0.0879 -4.4990 3  997.9322984  595161404613527 1    603426 1      C-13-H3C(O)CH3
  897948.0891  0.0295 -4.5052 3  493.9654348  595161404432717 3    422418 3      C-13-H3C(O)CH3
  897954.4153  0.0127 -5.3713 3  285.0437536  595161404332212 2    321715 2      C-13-H3C(O)CH3
  897958.7128  0.0066 -3.4556 3  661.0734760 -5951614044740 7 1    4639 7 1      C-13-H3C(O)CH3
  897964.0351  0.0066 -3.4557 3  661.0478760 -5951614044740 8 2    4639 8 2      C-13-H3C(O)CH3
  897994.9643  0.0103 -3.7567 3  661.0891380  5951614044740 7 4    4639 7 4      C-13-H3C(O)CH3
  898019.9554  0.0064 -3.4555 3  661.0374760 -5951614044740 8 1    4639 8 1      C-13-H3C(O)CH3
  898052.9524  0.0094 -3.7566 3  661.0720380  5951614044740 7 3    4639 7 3      C-13-H3C(O)CH3
  898056.1326  0.0096 -3.7566 3  661.0532380  5951614044740 8 3    4639 8 3      C-13-H3C(O)CH3
  898076.4179  0.0235 -4.2110 3  709.2760412  595161404513319 3    503218 3      C-13-H3C(O)CH3
  898108.0551  0.0165 -4.7523 3  370.6379600  595161404372612 0    362313 0      C-13-H3C(O)CH3
  898114.6959  0.0093 -3.7566 3  661.0360380  5951614044740 8 4    4639 8 4      C-13-H3C(O)CH3
  898139.5697  0.0664 -5.0240 3  689.7870808  595161404503417 1    493316 1      C-13-H3C(O)CH3
  898169.4560  0.0306 -5.2585 3  370.5948300  595161404372612 3    362313 3      C-13-H3C(O)CH3
  898177.4940  0.0240 -5.0056 3  370.6136600  595161404372612 2    362313 2      C-13-H3C(O)CH3
  898185.1513  0.0214 -5.2699 3  370.6191600  595161404372611 1    362313 1      C-13-H3C(O)CH3
  898206.1277  0.0797 -4.8003 3  997.9330492  595161404613527 4    603426 4      C-13-H3C(O)CH3
  898209.4154  0.0825 -4.8003 3  997.9329492  595161404613527 3    603426 3      C-13-H3C(O)CH3
  898288.8060  0.0584 -4.5187 3 1027.8841A00  595161404623428 1    613527 1      C-13-H3C(O)CH3
  898298.1425  0.0691 -4.8202 3 1027.8939500  595161404623428 3    613527 3      C-13-H3C(O)CH3
  898300.0143  0.0676 -4.8202 3 1027.8939500  595161404623428 4    613527 4      C-13-H3C(O)CH3
  898301.6513  0.0581 -4.5182 3 1027.8761A00  595161404623428 0    613527 0      C-13-H3C(O)CH3
  898313.7986  0.0723 -4.5186 3 1027.8858A00  595161404623428 2    613527 2      C-13-H3C(O)CH3
  898440.1192  0.1606 -4.4882 3  968.1915968  595161404603526 0    593425 0      C-13-H3C(O)CH3
  898559.3933  0.0522 -4.6233 3 1381.6268E16  59516140488 782 0    87 681 0      C-13-H3C(O)CH3
  898559.3933  0.0522 -4.6233 3 1381.6268E16  59516140488 682 0    87 781 0      C-13-H3C(O)CH3
  898559.3933  0.0522 -5.6559 3 1381.6268E16  59516140488 682 0    87 681 0      C-13-H3C(O)CH3
  898559.3933  0.0522 -5.6559 3 1381.6268E16  59516140488 782 0    87 781 0      C-13-H3C(O)CH3
  898568.3261  0.0785 -4.6635 3 1381.5958E16  59516140488 682 1    87 681 1      C-13-H3C(O)CH3
  898568.3261  0.0785 -5.3648 3 1381.5958E16  59516140488 782 1    87 681 1      C-13-H3C(O)CH3
  898568.3261  0.0785 -4.6635 3 1381.5958E16  59516140488 782 1    87 781 1      C-13-H3C(O)CH3
  898568.3261  0.0785 -5.3648 3 1381.5958E16  59516140488 682 1    87 781 1      C-13-H3C(O)CH3
  898568.3782  0.0758 -5.1376 3 1381.5957E16  59516140488 782 2    87 681 2      C-13-H3C(O)CH3
  898568.3782  0.0758 -4.7273 3 1381.5957E16  59516140488 782 2    87 781 2      C-13-H3C(O)CH3
  898568.3782  0.0758 -4.7273 3 1381.5957E16  59516140488 682 2    87 681 2      C-13-H3C(O)CH3
  898568.3782  0.0758 -5.1376 3 1381.5957E16  59516140488 682 2    87 781 2      C-13-H3C(O)CH3
  898568.6347  0.0640 -5.4715 3 1338.1003D04  595161404811567 0    801566 0      C-13-H3C(O)CH3
  898568.6347  0.0640 -4.6569 3 1338.1003D04  595161404811567 0    801466 0      C-13-H3C(O)CH3
  898568.6347  0.0640 -4.6569 3 1338.1003D04  595161404811467 0    801566 0      C-13-H3C(O)CH3
  898568.6347  0.0640 -5.4715 3 1338.1003D04  595161404811467 0    801466 0      C-13-H3C(O)CH3
  898577.3075  0.0443 -4.9131 3 1381.5645708  59516140488 682 4    87 681 4      C-13-H3C(O)CH3
  898577.3075  0.0443 -4.9131 3 1381.5645708  59516140488 782 4    87 781 4      C-13-H3C(O)CH3
  898577.3200  0.0443 -5.3209 3 1381.5646708  59516140488 782 3    87 781 3      C-13-H3C(O)CH3
  898577.3200  0.0443 -5.3209 3 1381.5646708  59516140488 682 3    87 681 3      C-13-H3C(O)CH3
  898577.3200  0.0443 -5.0843 3 1381.5646708  59516140488 682 3    87 781 3      C-13-H3C(O)CH3
  898577.3200  0.0443 -5.0843 3 1381.5646708  59516140488 782 3    87 681 3      C-13-H3C(O)CH3
  898582.3114  0.0824 -5.7347 3 1243.8835B76  595161404732350 0    722349 0      C-13-H3C(O)CH3
  898582.3114  0.0824 -4.5794 3 1243.8835B76  595161404732350 0    722449 0      C-13-H3C(O)CH3
  898582.3114  0.0824 -4.5794 3 1243.8835B76  595161404732450 0    722349 0      C-13-H3C(O)CH3
  898582.3114  0.0824 -5.7347 3 1243.8835B76  595161404732450 0    722449 0      C-13-H3C(O)CH3
  898601.0883  0.0839 -4.5556 3 1243.9015B76  595161404732350 1    722349 1      C-13-H3C(O)CH3
  898601.0883  0.0839 -4.5556 3 1243.9015B76  595161404732450 1    722449 1      C-13-H3C(O)CH3
  898603.0403  0.0629 -5.9200 3 1338.1062D04  595161404811567 1    801466 1      C-13-H3C(O)CH3
  898603.0403  0.0629 -5.9200 3 1338.1062D04  595161404811467 1    801566 1      C-13-H3C(O)CH3
  898603.0403  0.0629 -4.6160 3 1338.1062D04  595161404811467 1    801466 1      C-13-H3C(O)CH3
  898603.0403  0.0629 -4.6160 3 1338.1062D04  595161404811567 1    801566 1      C-13-H3C(O)CH3
  898603.4869  0.0849 -4.8036 3 1243.9026B76  595161404732450 2    722449 2      C-13-H3C(O)CH3
  898603.4869  0.0849 -4.9044 3 1243.9026B76  595161404732450 2    722349 2      C-13-H3C(O)CH3
  898603.4869  0.0849 -4.8036 3 1243.9026B76  595161404732350 2    722349 2      C-13-H3C(O)CH3
  898603.4869  0.0849 -4.9044 3 1243.9026B76  595161404732350 2    722449 2      C-13-H3C(O)CH3
  898603.5315  0.0638 -5.6175 3 1338.1062D04  595161404811467 2    801466 2      C-13-H3C(O)CH3
  898603.5315  0.0638 -4.6383 3 1338.1062D04  595161404811467 2    801566 2      C-13-H3C(O)CH3
  898603.5315  0.0638 -4.6383 3 1338.1062D04  595161404811567 2    801466 2      C-13-H3C(O)CH3
  898603.5315  0.0638 -5.6175 3 1338.1062D04  595161404811567 2    801566 2      C-13-H3C(O)CH3
  898603.7068  0.0320 -5.4737 3  370.5948300  595161404372611 3    362313 3      C-13-H3C(O)CH3
  898622.2919  0.0712 -4.9067 3 1243.9207588  595161404732350 3    722349 3      C-13-H3C(O)CH3
  898622.2919  0.0712 -5.7717 3 1243.9207588  595161404732350 3    722449 3      C-13-H3C(O)CH3
  898622.2919  0.0712 -5.7717 3 1243.9207588  595161404732450 3    722349 3      C-13-H3C(O)CH3
  898622.2919  0.0712 -4.9067 3 1243.9207588  595161404732450 3    722449 3      C-13-H3C(O)CH3
  898622.3272  0.0712 -4.8883 3 1243.9207588  595161404732350 4    722449 4      C-13-H3C(O)CH3
  898622.3272  0.0712 -5.9378 3 1243.9207588  595161404732350 4    722349 4      C-13-H3C(O)CH3
  898622.3272  0.0712 -4.8883 3 1243.9207588  595161404732450 4    722349 4      C-13-H3C(O)CH3
  898622.3272  0.0712 -5.9378 3 1243.9207588  595161404732450 4    722449 4      C-13-H3C(O)CH3
  898637.9693  0.0622 -5.3377 3 1338.1121652  595161404811567 3    801566 3      C-13-H3C(O)CH3
  898637.9693  0.0622 -5.3377 3 1338.1121652  595161404811467 3    801466 3      C-13-H3C(O)CH3
  898637.9693  0.0622 -5.0909 3 1338.1121652  595161404811567 3    801466 3      C-13-H3C(O)CH3
  898637.9693  0.0622 -5.0909 3 1338.1121652  595161404811467 3    801566 3      C-13-H3C(O)CH3
  898638.0215  0.0623 -4.9515 3 1338.1121652  595161404811467 4    801466 4      C-13-H3C(O)CH3
  898638.0215  0.0623 -5.8169 3 1338.1121652  595161404811567 4    801466 4      C-13-H3C(O)CH3
  898638.0215  0.0623 -4.9515 3 1338.1121652  595161404811567 4    801566 4      C-13-H3C(O)CH3
  898638.0215  0.0623 -5.8169 3 1338.1121652  595161404811467 4    801566 4      C-13-H3C(O)CH3
  898701.0442  0.0224 -5.4400 3  335.3574284  595161404352610 4    342312 4      C-13-H3C(O)CH3
  898800.4377  0.0173 -5.2767 3  335.3769568  595161404352610 1    342312 1      C-13-H3C(O)CH3
  898810.0275  0.0087 -3.7589 3  689.7610808 -595161404503417 0    493316 0      C-13-H3C(O)CH3
  898853.6912  0.0208 -5.3796 3  335.3561284  595161404352610 3    342312 3      C-13-H3C(O)CH3
  898888.3406  0.0350 -5.3790 3  370.5946300  595161404372611 4    362313 4      C-13-H3C(O)CH3
  898892.0141  0.0289 -5.1070 3  370.6136600  595161404372611 2    362313 2      C-13-H3C(O)CH3
  898914.0461  0.0170 -5.1433 3  335.3769568  5951614043526 9 1    342312 1      C-13-H3C(O)CH3
  898919.6301  0.1870 -4.4885 3  968.1840968  595161404603526 2    593425 2      C-13-H3C(O)CH3
  898941.0348  0.1386 -4.4885 3  968.1821968  595161404603526 1    593425 1      C-13-H3C(O)CH3
  898964.4881  0.0884 -4.5115 3  689.7987404  595161404503417 3    493316 3      C-13-H3C(O)CH3
  898982.8740  0.0185 -5.1057 3  335.3818568  595161404352610 2    342312 2      C-13-H3C(O)CH3
  899064.4473  0.0142 -4.9061 3  335.4017568  5951614043526 9 0    342312 0      C-13-H3C(O)CH3
  899074.0746  0.0307 -5.6841 3  335.3561284  5951614043526 9 3    342312 3      C-13-H3C(O)CH3
  899090.0512  0.0203 -5.6673 3  291.7952260  5951614043227 6 4    3124 7 4      C-13-H3C(O)CH3
  899150.8625  0.0304 -5.5833 3  335.3574284  5951614043526 9 4    342312 4      C-13-H3C(O)CH3
  899154.0395  0.0095 -3.7830 3  689.7870808  595161404503416 1    493316 1      C-13-H3C(O)CH3
  899154.3588  0.0096 -3.7728 3  689.8016808  595161404503416 2    493316 2      C-13-H3C(O)CH3
  899228.5866  0.0183 -5.6641 3  291.7863260  5951614043227 6 3    3124 7 3      C-13-H3C(O)CH3
  899254.5347  0.0055 -3.5300 3  668.5519776 -595161404483811 0    473710 0      C-13-H3C(O)CH3
  899254.5347  0.0055 -3.5300 3  668.5519776 -595161404483810 0    473711 0      C-13-H3C(O)CH3
  899257.1407  0.0095 -3.7825 3  689.7497808 -595161404503417 1    493317 1      C-13-H3C(O)CH3
  899268.2874  0.0066 -3.5302 3  668.5798776 -595161404483810 2    473710 2      C-13-H3C(O)CH3
  899272.8593  0.0135 -4.0641 3  689.8322404  595161404503416 4    493316 4      C-13-H3C(O)CH3
  899291.0454  0.0175 -4.2484 3  689.7987404  595161404503416 3    493316 3      C-13-H3C(O)CH3
  899301.6072  0.0094 -3.7720 3  689.7534808 -595161404503417 2    493317 2      C-13-H3C(O)CH3
  899317.2197  0.0268 -5.3393 3  335.3818568  5951614043526 9 2    342312 2      C-13-H3C(O)CH3
  899319.2616  0.0086 -3.7585 3  689.7493808  595161404503416 0    493317 0      C-13-H3C(O)CH3
  899324.7900  0.0063 -3.5300 3  668.5739776 -595161404483810 1    473710 1      C-13-H3C(O)CH3
  899338.2996  0.0096 -3.8312 3  668.6018388  595161404483810 4    473710 4      C-13-H3C(O)CH3
  899367.3892  0.0063 -3.5300 3  668.5644776 -595161404483811 2    473711 2      C-13-H3C(O)CH3
  899387.8591  0.0064 -3.5299 3  668.5473776 -595161404483811 1    473711 1      C-13-H3C(O)CH3
  899401.7228  0.0089 -3.8312 3  668.5752388  595161404483811 3    473711 3      C-13-H3C(O)CH3
  899417.0147  0.0096 -5.8919 3  221.3853488  595161404301714 2    291217 2      C-13-H3C(O)CH3
  899423.9595  0.1492 -4.7898 3  968.1745484  595161404603526 4    593425 4      C-13-H3C(O)CH3
  899431.2347  0.1536 -4.7898 3  968.1743484  595161404603526 3    593425 3      C-13-H3C(O)CH3
  899437.6400  0.0085 -3.8311 3  668.5864388  595161404483810 3    473710 3      C-13-H3C(O)CH3
  899441.8999  0.0168 -5.3668 3  291.8170520  5951614043227 6 1    3124 7 1      C-13-H3C(O)CH3
  899447.5301  0.0164 -4.2479 3  689.7826404  595161404503417 3    493317 3      C-13-H3C(O)CH3
  899465.8632  0.0122 -4.0630 3  689.7491404  595161404503417 4    493317 4      C-13-H3C(O)CH3
  899501.1833  0.0087 -3.8310 3  668.5597388  595161404483811 4    473711 4      C-13-H3C(O)CH3
  899503.9916  0.0096 -5.8908 3  221.3879488  595161404301714 1    291217 1      C-13-H3C(O)CH3
  899531.8316  0.0843 -4.9529 3 1259.8799B92  595161404742352 0    732351 0      C-13-H3C(O)CH3
  899531.8316  0.0843 -4.9529 3 1259.8799B92  595161404742252 0    732251 0      C-13-H3C(O)CH3
  899531.8316  0.0843 -4.7881 3 1259.8799B92  595161404742352 0    732251 0      C-13-H3C(O)CH3
  899531.8316  0.0843 -4.7881 3 1259.8799B92  595161404742252 0    732351 0      C-13-H3C(O)CH3
  899551.8300  0.0859 -5.4202 3 1259.8977B92  595161404742252 1    732351 1      C-13-H3C(O)CH3
  899551.8300  0.0859 -4.6265 3 1259.8977B92  595161404742252 1    732251 1      C-13-H3C(O)CH3
  899551.8300  0.0859 -5.4202 3 1259.8977B92  595161404742352 1    732251 1      C-13-H3C(O)CH3
  899551.8300  0.0859 -4.6265 3 1259.8977B92  595161404742352 1    732351 1      C-13-H3C(O)CH3
  899554.1752  0.0870 -5.0889 3 1259.8987B92  595161404742352 2    732251 2      C-13-H3C(O)CH3
  899554.1752  0.0870 -4.7148 3 1259.8987B92  595161404742252 2    732251 2      C-13-H3C(O)CH3
  899554.1752  0.0870 -4.7148 3 1259.8987B92  595161404742352 2    732351 2      C-13-H3C(O)CH3
  899554.1752  0.0870 -5.0889 3 1259.8987B92  595161404742252 2    732351 2      C-13-H3C(O)CH3
  899574.2025  0.0722 -4.8795 3 1259.9165596  595161404742252 3    732351 3      C-13-H3C(O)CH3
  899574.2025  0.0722 -4.8795 3 1259.9165596  595161404742352 3    732251 3      C-13-H3C(O)CH3
  899574.2397  0.0722 -5.2972 3 1259.9166596  595161404742252 4    732251 4      C-13-H3C(O)CH3
  899574.2397  0.0722 -5.0619 3 1259.9166596  595161404742252 4    732351 4      C-13-H3C(O)CH3
  899574.2397  0.0722 -5.0619 3 1259.9166596  595161404742352 4    732251 4      C-13-H3C(O)CH3
  899574.2397  0.0722 -5.2972 3 1259.9166596  595161404742352 4    732351 4      C-13-H3C(O)CH3
  899596.4446  0.0092 -5.8915 3  221.3998488  595161404301714 0    291217 0      C-13-H3C(O)CH3
  899626.1731  0.0162 -5.3693 3  291.8295520  5951614043227 5 2    3124 7 2      C-13-H3C(O)CH3
  899640.3846  0.0186 -5.6665 3  291.7820260  5951614043227 5 3    3124 8 3      C-13-H3C(O)CH3
  899707.3500  0.0597 -4.7800 3 1349.1529D20  595161404821469 0    811468 0      C-13-H3C(O)CH3
  899707.3500  0.0597 -5.0759 3 1349.1529D20  595161404821369 0    811468 0      C-13-H3C(O)CH3
  899707.3500  0.0597 -5.0759 3 1349.1529D20  595161404821469 0    811368 0      C-13-H3C(O)CH3
  899707.3500  0.0597 -4.7800 3 1349.1529D20  595161404821369 0    811368 0      C-13-H3C(O)CH3
  899717.9726  0.0094 -5.4003 3  291.3984300  595161404371127 4    36 828 4      C-13-H3C(O)CH3
  899717.9726  0.0094 -5.4003 3  291.3984300  595161404371027 4    36 928 4      C-13-H3C(O)CH3
  899717.9726  0.0094 -4.7165 3  291.3984300  595161404371027 4    36 828 4      C-13-H3C(O)CH3
  899717.9726  0.0094 -4.7165 3  291.3984300  595161404371127 4    36 928 4      C-13-H3C(O)CH3
  899718.5295  0.0086 -4.6526 3  291.3984300  595161404371127 3    36 928 3      C-13-H3C(O)CH3
  899718.5295  0.0086 -6.0306 3  291.3984300  595161404371127 3    36 828 3      C-13-H3C(O)CH3
  899718.5295  0.0086 -4.6399 3  291.3984300  595161404371027 3    36 928 3      C-13-H3C(O)CH3
  899742.4287  0.0603 -4.9249 3 1349.1556D20  595161404821369 1    811468 1      C-13-H3C(O)CH3
  899742.4287  0.0603 -4.8825 3 1349.1556D20  595161404821369 1    811368 1      C-13-H3C(O)CH3
  899742.4287  0.0603 -4.9249 3 1349.1556D20  595161404821469 1    811368 1      C-13-H3C(O)CH3
  899742.4287  0.0603 -4.8825 3 1349.1556D20  595161404821469 1    811468 1      C-13-H3C(O)CH3
  899742.6739  0.0601 -4.6022 3 1349.1555D20  595161404821469 2    811468 2      C-13-H3C(O)CH3
  899742.6739  0.0601 -4.6022 3 1349.1555D20  595161404821369 2    811368 2      C-13-H3C(O)CH3
  899761.1346  0.0167 -5.3660 3  291.8206520  5951614043227 6 2    3124 8 2      C-13-H3C(O)CH3
  899774.0874  0.0902 -4.5109 3  689.7826404  595161404503416 3    493317 3      C-13-H3C(O)CH3
  899776.2937  0.0208 -5.6632 3  291.7731260  5951614043227 5 4    3124 8 4      C-13-H3C(O)CH3
  899777.7831  0.0605 -5.3031 3 1349.1583660  595161404821369 3    811368 3      C-13-H3C(O)CH3
  899777.7831  0.0605 -5.3031 3 1349.1583660  595161404821469 3    811468 3      C-13-H3C(O)CH3
  899777.7831  0.0605 -5.1237 3 1349.1583660  595161404821469 3    811368 3      C-13-H3C(O)CH3
  899777.7831  0.0605 -5.1237 3 1349.1583660  595161404821369 3    811468 3      C-13-H3C(O)CH3
  899777.8347  0.0605 -4.9153 3 1349.1582660  595161404821469 4    811468 4      C-13-H3C(O)CH3
  899777.8347  0.0605 -4.9153 3 1349.1582660  595161404821369 4    811368 4      C-13-H3C(O)CH3
  899805.0632  0.0392 -4.9013 3 1388.3160716  59516140489 684 4    88 683 4      C-13-H3C(O)CH3
  899805.0632  0.0392 -4.9013 3 1388.3160716  59516140489 584 4    88 583 4      C-13-H3C(O)CH3
  899805.0927  0.0392 -4.8972 3 1388.3160716  59516140489 584 3    88 683 3      C-13-H3C(O)CH3
  899805.0927  0.0392 -4.8938 3 1388.3160716  59516140489 684 3    88 583 3      C-13-H3C(O)CH3
  899805.1836  0.0689 -4.8941 3 1388.3498E32  59516140489 584 1    88 683 1      C-13-H3C(O)CH3
  899805.1836  0.0689 -4.8796 3 1388.3498E32  59516140489 584 1    88 583 1      C-13-H3C(O)CH3
  899805.1836  0.0689 -4.8941 3 1388.3498E32  59516140489 684 1    88 583 1      C-13-H3C(O)CH3
  899805.1836  0.0689 -4.8796 3 1388.3498E32  59516140489 684 1    88 683 1      C-13-H3C(O)CH3
  899805.3117  0.0675 -4.7395 3 1388.3497E32  59516140489 584 2    88 583 2      C-13-H3C(O)CH3
  899805.3117  0.0675 -5.3099 3 1388.3497E32  59516140489 584 2    88 683 2      C-13-H3C(O)CH3
  899805.3117  0.0675 -4.6766 3 1388.3497E32  59516140489 684 2    88 683 2      C-13-H3C(O)CH3
  899805.3117  0.0675 -5.1112 3 1388.3497E32  59516140489 684 2    88 583 2      C-13-H3C(O)CH3
  899805.4127  0.0469 -5.9528 3 1388.3834E32  59516140489 684 0    88 683 0      C-13-H3C(O)CH3
  899805.4127  0.0469 -4.6049 3 1388.3834E32  59516140489 684 0    88 583 0      C-13-H3C(O)CH3
  899805.4127  0.0469 -4.6049 3 1388.3834E32  59516140489 584 0    88 683 0      C-13-H3C(O)CH3
  899805.4127  0.0469 -5.9528 3 1388.3834E32  59516140489 584 0    88 583 0      C-13-H3C(O)CH3
  899945.5730  0.0080 -5.5815 3  291.4120600  595161404371027 2    36 928 2      C-13-H3C(O)CH3
  899945.5730  0.0080 -4.3588 3  291.4120600  595161404371027 2    36 828 2      C-13-H3C(O)CH3
  899945.5730  0.0080 -4.3705 3  291.4120600  595161404371127 2    36 928 2      C-13-H3C(O)CH3
  899945.5730  0.0080 -5.4214 3  291.4120600  595161404371127 2    36 828 2      C-13-H3C(O)CH3
  899952.3217  0.0064 -3.6247 3  678.0013792 -595161404493614 0    483513 0      C-13-H3C(O)CH3
  899952.5247  0.0082 -6.0123 3  291.4129600  595161404371027 1    36 828 1      C-13-H3C(O)CH3
  899952.5247  0.0082 -6.0123 3  291.4129600  595161404371127 1    36 928 1      C-13-H3C(O)CH3
  899952.5247  0.0082 -4.3427 3  291.4129600  595161404371127 1    36 828 1      C-13-H3C(O)CH3
  899952.5247  0.0082 -4.3427 3  291.4129600  595161404371027 1    36 928 1      C-13-H3C(O)CH3
  899954.3117  0.0064 -3.6247 3  678.0013792  595161404493613 0    483514 0      C-13-H3C(O)CH3
  899962.6146  0.0428 -4.0178 3  734.8034840  595161404523320 0    513219 0      C-13-H3C(O)CH3
  899978.6333  0.0168 -5.3697 3  291.8511520  5951614043227 6 0    3124 7 0      C-13-H3C(O)CH3
  899979.9156  0.0168 -5.3697 3  291.8511520  5951614043227 5 0    3124 8 0      C-13-H3C(O)CH3
  899986.0849  0.0067 -3.6249 3  678.0433792 -595161404493613 2    483513 2      C-13-H3C(O)CH3
  899988.6777  0.0170 -5.3659 3  291.8037520  5951614043227 5 1    3124 8 1      C-13-H3C(O)CH3
  900016.7732  0.0261 -5.4659 3  352.6386292  595161404362611 4    352312 4      C-13-H3C(O)CH3
  900024.9414  0.0070 -3.6248 3  678.0284792 -595161404493613 1    483513 1      C-13-H3C(O)CH3
  900057.6502  0.0092 -3.9261 3  678.0703396  595161404493613 4    483513 4      C-13-H3C(O)CH3
  900090.5202  0.0175 -5.0657 3  352.6591584  595161404362611 1    352312 1      C-13-H3C(O)CH3
  900096.8662  0.0074 -3.6246 3  678.0018792 -595161404493614 1    483514 1      C-13-H3C(O)CH3
  900113.6056  0.0070 -3.6245 3  678.0157792 -595161404493614 2    483514 2      C-13-H3C(O)CH3
  900129.9024  0.0095 -3.9259 3  678.0438396  595161404493614 3    483513 3      C-13-H3C(O)CH3
  900165.4834  0.0166 -3.3386 3  659.9745728  5951614044545 0 0    4444 0 0      C-13-H3C(O)CH3
  900165.4834  0.0166 -3.3386 3  659.9745728  5951614044545 1 0    4444 1 0      C-13-H3C(O)CH3
  900179.1804  0.0076 -5.5649 3  291.4266600  595161404371127 0    36 928 0      C-13-H3C(O)CH3
  900179.1804  0.0076 -4.3596 3  291.4266600  595161404371127 0    36 828 0      C-13-H3C(O)CH3
  900179.1804  0.0076 -4.3596 3  291.4266600  595161404371027 0    36 928 0      C-13-H3C(O)CH3
  900179.1804  0.0076 -5.5649 3  291.4266600  595161404371027 0    36 828 0      C-13-H3C(O)CH3
  900185.3424  0.0092 -3.9257 3  678.0427396  595161404493613 3    483514 3      C-13-H3C(O)CH3
  900187.3415  0.0237 -5.9490 3  267.6136488  5951614043028 2 2    2925 4 2      C-13-H3C(O)CH3
  900203.9258  0.0278 -5.4454 3  352.6389292  595161404362611 3    352312 3      C-13-H3C(O)CH3
  900236.6655  0.0255 -5.9467 3  267.5953488  5951614043028 3 1    2925 4 1      C-13-H3C(O)CH3
  900257.3797  0.0103 -3.9255 3  678.0161396  595161404493614 4    483514 4      C-13-H3C(O)CH3
  900259.8878  0.0174 -3.3386 3  660.0427728 -5951614044545 0 1    4444 0 1      C-13-H3C(O)CH3
  900271.6881  0.0693 -5.0223 3  689.7497808  595161404503416 1    493317 1      C-13-H3C(O)CH3
  900287.0698  0.0189 -5.1959 3  352.6591584  595161404362610 1    352312 1      C-13-H3C(O)CH3
  900298.2116  0.0228 -5.1621 3  352.6601584  595161404362611 2    352312 2      C-13-H3C(O)CH3
  900302.6139  0.0330 -4.0205 3  734.8013840  595161404523320 1    513219 1      C-13-H3C(O)CH3
  900336.2136  0.0194 -3.3385 3  660.0166728 -5951614044545 0 2    4444 0 2      C-13-H3C(O)CH3
  900361.4260  0.0150 -4.8267 3  352.6802584  595161404362611 0    352312 0      C-13-H3C(O)CH3
  900387.4861  0.0198 -3.3383 3  659.9449728 -5951614044545 1 2    4444 1 2      C-13-H3C(O)CH3
  900394.0338  0.0460 -4.0226 3  734.7996840  595161404523320 2    513219 2      C-13-H3C(O)CH3
  900431.3480  0.0246 -3.6395 3  660.0849364  5951614044545 0 4    4444 0 4      C-13-H3C(O)CH3
  900433.6208  0.0180 -3.3383 3  659.9791728 -5951614044545 1 1    4444 1 1      C-13-H3C(O)CH3
  900482.1194  0.0262 -3.6394 3  660.0131364  5951614044545 1 3    4444 1 3      C-13-H3C(O)CH3
  900516.3503  0.0856 -5.7984 3 1275.3191C08  595161404752254 0    742253 0      C-13-H3C(O)CH3
  900516.3503  0.0856 -4.5998 3 1275.3191C08  595161404752254 0    742153 0      C-13-H3C(O)CH3
  900516.3503  0.0856 -4.5998 3 1275.3191C08  595161404752154 0    742253 0      C-13-H3C(O)CH3
  900516.3503  0.0856 -5.7984 3 1275.3191C08  595161404752154 0    742153 0      C-13-H3C(O)CH3
  900527.7408  0.0266 -5.4088 3  352.6389292  595161404362610 3    352312 3      C-13-H3C(O)CH3
  900537.8159  0.0871 -4.6848 3 1275.3365C08  595161404752154 1    742153 1      C-13-H3C(O)CH3
  900537.8159  0.0871 -5.2175 3 1275.3365C08  595161404752154 1    742253 1      C-13-H3C(O)CH3
  900537.8159  0.0871 -5.2175 3 1275.3365C08  595161404752254 1    742153 1      C-13-H3C(O)CH3
  900537.8159  0.0871 -4.6848 3 1275.3365C08  595161404752254 1    742253 1      C-13-H3C(O)CH3
  900540.0642  0.0883 -4.7358 3 1275.3374C08  595161404752154 2    742153 2      C-13-H3C(O)CH3
  900540.0642  0.0883 -5.0785 3 1275.3374C08  595161404752154 2    742253 2      C-13-H3C(O)CH3
  900540.0642  0.0883 -5.0785 3 1275.3374C08  595161404752254 2    742153 2      C-13-H3C(O)CH3
  900540.0642  0.0883 -4.7358 3 1275.3374C08  595161404752254 2    742253 2      C-13-H3C(O)CH3
  900561.5595  0.0729 -4.8754 3 1275.3548604  595161404752154 3    742153 3      C-13-H3C(O)CH3
  900561.5595  0.0729 -4.8754 3 1275.3548604  595161404752254 3    742253 3      C-13-H3C(O)CH3
  900561.5987  0.0729 -4.8769 3 1275.3549604  595161404752254 4    742153 4      C-13-H3C(O)CH3
  900561.5987  0.0729 -4.8769 3 1275.3549604  595161404752154 4    742253 4      C-13-H3C(O)CH3
  900563.2816  0.0304 -4.3376 3  734.7998420  595161404523320 4    513219 4      C-13-H3C(O)CH3
  900601.7335  0.0927 -5.2511 3  689.7534808  595161404503416 2    493317 2      C-13-H3C(O)CH3
  900604.8700  0.0271 -3.6393 3  660.0212364  5951614044545 0 3    4444 0 3      C-13-H3C(O)CH3
  900619.0088  0.0246 -5.9456 3  267.5942488  5951614043028 3 2    2925 5 2      C-13-H3C(O)CH3
  900655.2047  0.0297 -3.6391 3  659.9495364  5951614044545 1 4    4444 1 4      C-13-H3C(O)CH3
  900729.2200  0.0288 -5.3905 3  352.6386292  595161404362610 4    352312 4      C-13-H3C(O)CH3
  900816.5365  0.0240 -5.0954 3  352.6601584  595161404362610 2    352312 2      C-13-H3C(O)CH3
  900824.2711  0.0249 -5.9506 3  267.6449488  5951614043028 3 0    2925 4 0      C-13-H3C(O)CH3
  900824.2720  0.0249 -5.9506 3  267.6449488  5951614043028 2 0    2925 5 0      C-13-H3C(O)CH3
  900860.0247  0.0560 -4.8373 3 1359.6703D36  595161404831371 0    821270 0      C-13-H3C(O)CH3
  900860.0247  0.0560 -4.9968 3 1359.6703D36  595161404831271 0    821270 0      C-13-H3C(O)CH3
  900860.0247  0.0560 -4.9968 3 1359.6703D36  595161404831371 0    821370 0      C-13-H3C(O)CH3
  900860.0247  0.0560 -4.8373 3 1359.6703D36  595161404831271 0    821370 0      C-13-H3C(O)CH3
  900893.4311  0.0547 -4.3151 3  734.7958420  595161404523320 3    513219 3      C-13-H3C(O)CH3
  900895.1115  0.0603 -4.6476 3 1359.6693D36  595161404831271 1    821270 1      C-13-H3C(O)CH3
  900895.1115  0.0603 -5.6762 3 1359.6693D36  595161404831371 1    821270 1      C-13-H3C(O)CH3
  900895.1115  0.0603 -4.6476 3 1359.6693D36  595161404831371 1    821370 1      C-13-H3C(O)CH3
  900895.1115  0.0603 -5.6762 3 1359.6693D36  595161404831271 1    821370 1      C-13-H3C(O)CH3
  900895.1498  0.0585 -5.4016 3 1359.6691D36  595161404831371 2    821370 2      C-13-H3C(O)CH3
  900895.1498  0.0585 -4.6850 3 1359.6691D36  595161404831371 2    821270 2      C-13-H3C(O)CH3
  900895.1498  0.0585 -4.6850 3 1359.6691D36  595161404831271 2    821370 2      C-13-H3C(O)CH3
  900895.1498  0.0585 -5.4016 3 1359.6691D36  595161404831271 2    821270 2      C-13-H3C(O)CH3
  900930.2644  0.0588 -5.7772 3 1359.6681668  595161404831271 3    821370 3      C-13-H3C(O)CH3
  900930.2644  0.0588 -4.9731 3 1359.6681668  595161404831371 3    821370 3      C-13-H3C(O)CH3
  900930.2644  0.0588 -5.7772 3 1359.6681668  595161404831371 3    821270 3      C-13-H3C(O)CH3
  900930.2644  0.0588 -4.9731 3 1359.6681668  595161404831271 3    821270 3      C-13-H3C(O)CH3
  900930.3144  0.0588 -5.2870 3 1359.6681668  595161404831371 4    821370 4      C-13-H3C(O)CH3
  900930.3144  0.0588 -5.1459 3 1359.6681668  595161404831371 4    821270 4      C-13-H3C(O)CH3
  900930.3144  0.0588 -5.1459 3 1359.6681668  595161404831271 4    821370 4      C-13-H3C(O)CH3
  900930.3144  0.0588 -5.2870 3 1359.6681668  595161404831271 4    821270 4      C-13-H3C(O)CH3
  901018.9700  0.0246 -5.9463 3  267.5845488  5951614043028 2 1    2925 5 1      C-13-H3C(O)CH3
  901041.9539  0.0525 -4.9436 3 1394.5751E48 -59516140490 586 2    89 485 2      C-13-H3C(O)CH3
  901041.9539  0.0525 -4.8369 3 1394.5751E48 -59516140490 486 2    89 485 2      C-13-H3C(O)CH3
  901044.9341  0.0323 -5.2353 3 1394.5421724  59516140490 486 4    89 485 4      C-13-H3C(O)CH3
  901044.9341  0.0323 -5.2353 3 1394.5421724  59516140490 586 4    89 585 4      C-13-H3C(O)CH3
  901044.9341  0.0323 -5.1453 3 1394.5421724  59516140490 586 4    89 485 4      C-13-H3C(O)CH3
  901044.9341  0.0323 -5.1453 3 1394.5421724  59516140490 486 4    89 585 4      C-13-H3C(O)CH3
  901044.9743  0.0323 -5.0059 3 1394.5421724  59516140490 586 3    89 485 3      C-13-H3C(O)CH3
  901044.9743  0.0323 -5.5075 3 1394.5421724  59516140490 486 3    89 485 3      C-13-H3C(O)CH3
  901044.9743  0.0323 -5.5075 3 1394.5421724  59516140490 586 3    89 585 3      C-13-H3C(O)CH3
  901044.9743  0.0323 -5.0059 3 1394.5421724  59516140490 486 3    89 585 3      C-13-H3C(O)CH3
  901054.6039  0.0524 -4.5943 3 1394.5753E48  59516140490 486 1    89 485 1      C-13-H3C(O)CH3
  901054.6039  0.0524 -4.5943 3 1394.5753E48  59516140490 586 1    89 585 1      C-13-H3C(O)CH3
  901054.7295  0.0525 -4.9436 3 1394.5751E48  59516140490 486 2    89 585 2      C-13-H3C(O)CH3
  901054.7295  0.0525 -4.8369 3 1394.5751E48  59516140490 586 2    89 585 2      C-13-H3C(O)CH3
  901064.3691  0.0375 -5.3571 3 1394.6083E48  59516140490 486 0    89 485 0      C-13-H3C(O)CH3
  901064.3691  0.0375 -4.6666 3 1394.6083E48  59516140490 486 0    89 585 0      C-13-H3C(O)CH3
  901064.3691  0.0375 -5.3571 3 1394.6083E48  59516140490 586 0    89 585 0      C-13-H3C(O)CH3
  901064.3691  0.0375 -4.6666 3 1394.6083E48  59516140490 586 0    89 485 0      C-13-H3C(O)CH3
  901156.7522  0.0072 -4.0403 3  425.2982664  595161404412021 0    401922 0      C-13-H3C(O)CH3
  901174.3265  0.0072 -4.0403 3  425.2982664  595161404412121 0    401822 0      C-13-H3C(O)CH3
  901196.9325  0.0092 -4.0401 3  425.2699664  595161404412021 2    401922 2      C-13-H3C(O)CH3
  901215.5533  0.0092 -4.0401 3  425.2699664  595161404412121 2    401822 2      C-13-H3C(O)CH3
  901216.8559  0.0077 -4.0401 3  425.2726664  595161404412021 1    401922 1      C-13-H3C(O)CH3
  901230.4261  0.0134 -4.9003 3  253.3073292  59516140436 829 4    35 530 4      C-13-H3C(O)CH3
  901230.4261  0.0134 -4.9003 3  253.3073292  59516140436 729 4    35 630 4      C-13-H3C(O)CH3
  901230.9154  0.0120 -4.9441 3  253.3073292  59516140436 829 3    35 530 3      C-13-H3C(O)CH3
  901230.9154  0.0120 -5.6950 3  253.3073292  59516140436 829 3    35 630 3      C-13-H3C(O)CH3
  901230.9154  0.0120 -5.6950 3  253.3073292  59516140436 729 3    35 530 3      C-13-H3C(O)CH3
  901230.9154  0.0120 -4.9441 3  253.3073292  59516140436 729 3    35 630 3      C-13-H3C(O)CH3
  901234.8918  0.0077 -4.0401 3  425.2726664  595161404412121 1    401822 1      C-13-H3C(O)CH3
  901257.1950  0.0101 -4.3408 3  425.2443332  595161404412021 3    401922 3      C-13-H3C(O)CH3
  901257.2455  0.0101 -4.3408 3  425.2443332  595161404412021 4    401922 4      C-13-H3C(O)CH3
  901267.2254  0.1665 -4.3432 3  847.5727904  595161404563423 0    553322 0      C-13-H3C(O)CH3
  901276.3047  0.0101 -4.3408 3  425.2443332  595161404412121 4    401822 4      C-13-H3C(O)CH3
  901276.3119  0.0101 -4.3408 3  425.2443332  595161404412121 3    401822 3      C-13-H3C(O)CH3
  901380.0944  0.0110 -4.0498 3  485.4405696  595161404432519 0    422220 0      C-13-H3C(O)CH3
  901425.6192  0.0182 -5.1156 3  709.2719824  595161404513318 1    503218 1      C-13-H3C(O)CH3
  901465.8052  0.0130 -4.0497 3  485.4146696  595161404432519 2    422220 2      C-13-H3C(O)CH3
  901472.9071  0.0112 -4.0495 3  485.4191696  595161404432519 1    422220 1      C-13-H3C(O)CH3
  901513.3374  0.0256 -4.8953 3  709.2749824  595161404513318 2    503218 2      C-13-H3C(O)CH3
  901530.1060  0.0861 -4.6122 3 1290.2052C24  595161404762156 0    752055 0      C-13-H3C(O)CH3
  901530.1060  0.0861 -4.6122 3 1290.2052C24  595161404762056 0    752155 0      C-13-H3C(O)CH3
  901530.1060  0.0861 -5.7898 3 1290.2052C24  595161404762056 0    752055 0      C-13-H3C(O)CH3
  901530.1060  0.0861 -5.7898 3 1290.2052C24  595161404762156 0    752155 0      C-13-H3C(O)CH3
  901553.2416  0.0874 -4.5872 3 1290.2220C24  595161404762056 1    752155 1      C-13-H3C(O)CH3
  901553.2416  0.0874 -4.5872 3 1290.2220C24  595161404762156 1    752055 1      C-13-H3C(O)CH3
  901555.3481  0.0887 -4.5987 3 1290.2228C24  595161404762056 2    752055 2      C-13-H3C(O)CH3
  901555.3481  0.0887 -4.5987 3 1290.2228C24  595161404762156 2    752155 2      C-13-H3C(O)CH3
  901557.2206  0.0136 -4.3505 3  485.3931348  595161404432519 4    422220 4      C-13-H3C(O)CH3
  901560.9290  0.0135 -4.3505 3  485.3932348  595161404432519 3    422220 3      C-13-H3C(O)CH3
  901578.5143  0.0731 -5.1454 3 1290.2397612  595161404762056 3    752055 3      C-13-H3C(O)CH3
  901578.5143  0.0731 -5.2316 3 1290.2397612  595161404762056 3    752155 3      C-13-H3C(O)CH3
  901578.5143  0.0731 -5.1454 3 1290.2397612  595161404762156 3    752155 3      C-13-H3C(O)CH3
  901578.5143  0.0731 -5.2316 3 1290.2397612  595161404762156 3    752055 3      C-13-H3C(O)CH3
  901578.5556  0.0731 -4.9068 3 1290.2397612  595161404762156 4    752155 4      C-13-H3C(O)CH3
  901578.5556  0.0731 -4.9068 3 1290.2397612  595161404762056 4    752055 4      C-13-H3C(O)CH3
  901656.3295  0.0098 -4.9070 3  253.3022584  59516140436 729 2    35 630 2      C-13-H3C(O)CH3
  901656.3295  0.0098 -4.8407 3  253.3022584  59516140436 829 2    35 630 2      C-13-H3C(O)CH3
  901656.3295  0.0098 -4.8407 3  253.3022584  59516140436 729 2    35 530 2      C-13-H3C(O)CH3
  901656.3295  0.0098 -4.9070 3  253.3022584  59516140436 829 2    35 530 2      C-13-H3C(O)CH3
  901661.2862  0.0106 -4.5880 3  253.3028584  59516140436 829 1    35 530 1      C-13-H3C(O)CH3
  901661.2862  0.0106 -4.5880 3  253.3028584  59516140436 729 1    35 630 1      C-13-H3C(O)CH3
  901661.2862  0.0106 -6.0027 3  253.3028584  59516140436 729 1    35 530 1      C-13-H3C(O)CH3
  901661.2862  0.0106 -6.0027 3  253.3028584  59516140436 829 1    35 630 1      C-13-H3C(O)CH3
  901713.8001  0.0660 -4.5141 3 1027.7916A00  595161404623528 0    613427 0      C-13-H3C(O)CH3
  901763.7274  0.1234 -6.0411 3  689.7491404  595161404503416 4    493317 4      C-13-H3C(O)CH3
  901843.8606  0.0355 -4.7897 3  709.2856412  595161404513318 4    503218 4      C-13-H3C(O)CH3
  901847.7383  0.0085 -4.0355 3  455.3581680  595161404422220 0    412121 0      C-13-H3C(O)CH3
  901859.9387  0.0603 -4.5143 3 1027.7981A00  595161404623528 2    613427 2      C-13-H3C(O)CH3
  901872.5426  0.0571 -4.5143 3 1027.7956A00  595161404623528 1    613427 1      C-13-H3C(O)CH3
  901876.2050  0.0125 -4.0352 3  455.3312680  595161404422220 2    412121 2      C-13-H3C(O)CH3
  901912.4805  0.0087 -4.0352 3  455.3346680  595161404422220 1    412121 1      C-13-H3C(O)CH3
  901940.9273  0.0135 -4.3359 3  455.3076340  595161404422220 3    412121 3      C-13-H3C(O)CH3
  901941.5393  0.0135 -4.3359 3  455.3076340  595161404422220 4    412121 4      C-13-H3C(O)CH3
  902020.8021  0.0424 -4.8156 3 1027.8021500  595161404623528 4    613427 4      C-13-H3C(O)CH3
  902022.1833  0.0436 -4.8156 3 1027.8021500  595161404623528 3    613427 3      C-13-H3C(O)CH3
  902026.4481  0.0537 -4.7919 3 1369.6538D52  595161404841173 0    831272 0      C-13-H3C(O)CH3
  902026.4481  0.0537 -5.0895 3 1369.6538D52  595161404841273 0    831272 0      C-13-H3C(O)CH3
  902026.4481  0.0537 -4.7919 3 1369.6538D52  595161404841273 0    831172 0      C-13-H3C(O)CH3
  902026.4481  0.0537 -5.0895 3 1369.6538D52  595161404841173 0    831172 0      C-13-H3C(O)CH3
  902027.6900  0.0206 -5.3624 3  214.5843284  59516140435 431 3    34 332 3      C-13-H3C(O)CH3
  902027.6900  0.0206 -5.3624 3  214.5843284  59516140435 531 3    34 232 3      C-13-H3C(O)CH3
  902027.7882  0.0225 -5.5736 3  214.5843284  59516140435 431 4    34 232 4      C-13-H3C(O)CH3
  902027.7882  0.0225 -5.6837 3  214.5843284  59516140435 531 4    34 232 4      C-13-H3C(O)CH3
  902027.7882  0.0225 -5.5736 3  214.5843284  59516140435 531 4    34 332 4      C-13-H3C(O)CH3
  902027.7882  0.0225 -5.6837 3  214.5843284  59516140435 431 4    34 332 4      C-13-H3C(O)CH3
  902060.5556  0.0603 -4.6208 3 1369.6484D52  595161404841173 2    831272 2      C-13-H3C(O)CH3
  902060.5556  0.0603 -4.6208 3 1369.6484D52  595161404841273 2    831172 2      C-13-H3C(O)CH3
  902060.6701  0.0636 -4.8122 3 1369.6486D52  595161404841273 1    831172 1      C-13-H3C(O)CH3
  902060.6701  0.0636 -5.0518 3 1369.6486D52  595161404841273 1    831272 1      C-13-H3C(O)CH3
  902060.6701  0.0636 -5.0518 3 1369.6486D52  595161404841173 1    831172 1      C-13-H3C(O)CH3
  902060.6701  0.0636 -4.8122 3 1369.6486D52  595161404841173 1    831272 1      C-13-H3C(O)CH3
  902085.8874  0.0094 -4.8791 3  253.2977584  59516140436 729 0    35 630 0      C-13-H3C(O)CH3
  902085.8874  0.0094 -4.8652 3  253.2977584  59516140436 729 0    35 530 0      C-13-H3C(O)CH3
  902085.8874  0.0094 -4.8791 3  253.2977584  59516140436 829 0    35 530 0      C-13-H3C(O)CH3
  902085.8874  0.0094 -4.8652 3  253.2977584  59516140436 829 0    35 630 0      C-13-H3C(O)CH3
  902090.7019  0.1438 -4.3417 3  847.5524904  595161404563423 1    553322 1      C-13-H3C(O)CH3
  902094.8019  0.0572 -4.9503 3 1369.6431676  595161404841273 3    831272 3      C-13-H3C(O)CH3
  902094.8019  0.0572 -4.9503 3 1369.6431676  595161404841173 3    831172 3      C-13-H3C(O)CH3
  902094.8019  0.0572 -6.0305 3 1369.6431676  595161404841173 3    831272 3      C-13-H3C(O)CH3
  902094.8019  0.0572 -6.0305 3 1369.6431676  595161404841273 3    831172 3      C-13-H3C(O)CH3
  902094.8487  0.0573 -5.0756 3 1369.6430676  595161404841173 4    831272 4      C-13-H3C(O)CH3
  902094.8487  0.0573 -5.4270 3 1369.6430676  595161404841273 4    831272 4      C-13-H3C(O)CH3
  902094.8487  0.0573 -5.0756 3 1369.6430676  595161404841273 4    831172 4      C-13-H3C(O)CH3
  902094.8487  0.0573 -5.4270 3 1369.6430676  595161404841173 4    831172 4      C-13-H3C(O)CH3
  902142.3153  0.0072 -3.3872 3  663.6205744 -5951614044643 4 0    4542 3 0      C-13-H3C(O)CH3
  902142.3153  0.0072 -3.3872 3  663.6205744 -5951614044643 3 0    4542 4 0      C-13-H3C(O)CH3
  902202.0160  0.2187 -4.3415 3  847.5485904  595161404563423 2    553322 2      C-13-H3C(O)CH3
  902247.7796  0.0081 -3.3871 3  663.6649744 -5951614044643 3 1    4542 3 1      C-13-H3C(O)CH3
  902249.4347  0.0086 -3.3871 3  663.6396744 -5951614044643 3 2    4542 3 2      C-13-H3C(O)CH3
  902266.7345  0.0084 -4.0352 3  455.3575680  595161404422320 0    412021 0      C-13-H3C(O)CH3
  902278.8793  0.0082 -3.3870 3  663.5977744 -5951614044643 4 2    4542 4 2      C-13-H3C(O)CH3
  902298.1914  0.0241 -4.9207 3 1400.2452732  59516140491 488 4    90 387 4      C-13-H3C(O)CH3
  902298.1914  0.0241 -6.0058 3 1400.2452732  59516140491 388 4    90 387 4      C-13-H3C(O)CH3
  902298.1914  0.0241 -4.9207 3 1400.2452732  59516140491 388 4    90 487 4      C-13-H3C(O)CH3
  902298.1914  0.0241 -6.0058 3 1400.2452732  59516140491 488 4    90 487 4      C-13-H3C(O)CH3
  902298.2275  0.0241 -5.2058 3 1400.2452732  59516140491 388 3    90 487 3      C-13-H3C(O)CH3
  902298.2275  0.0241 -5.2058 3 1400.2452732  59516140491 488 3    90 387 3      C-13-H3C(O)CH3
  902298.2275  0.0241 -5.1697 3 1400.2452732  59516140491 388 3    90 387 3      C-13-H3C(O)CH3
  902298.2275  0.0241 -5.1697 3 1400.2452732  59516140491 488 3    90 487 3      C-13-H3C(O)CH3
  902313.5389  0.0115 -4.0350 3  455.3306680  595161404422320 2    412021 2      C-13-H3C(O)CH3
  902316.3872  0.0318 -4.5888 3 1400.2726E64  59516140491 388 1    90 387 1      C-13-H3C(O)CH3
  902316.3872  0.0318 -4.5888 3 1400.2726E64  59516140491 488 1    90 487 1      C-13-H3C(O)CH3
  902316.4053  0.0340 -4.6163 3 1400.2722E64  59516140491 388 2    90 487 2      C-13-H3C(O)CH3
  902316.4053  0.0340 -4.6163 3 1400.2722E64  59516140491 488 2    90 387 2      C-13-H3C(O)CH3
  902316.4053  0.0340 -5.7486 3 1400.2722E64  59516140491 388 2    90 387 2      C-13-H3C(O)CH3
  902316.4053  0.0340 -5.7486 3 1400.2722E64  59516140491 488 2    90 487 2      C-13-H3C(O)CH3
  902334.5679  0.0253 -4.5855 3 1400.2996E64  59516140491 488 0    90 487 0      C-13-H3C(O)CH3
  902334.5679  0.0253 -4.5855 3 1400.2996E64  59516140491 388 0    90 387 0      C-13-H3C(O)CH3
  902339.4234  0.0087 -4.0349 3  455.3340680  595161404422320 1    412021 1      C-13-H3C(O)CH3
  902353.5721  0.0079 -3.3869 3  663.6110744 -5951614044643 4 1    4542 4 1      C-13-H3C(O)CH3
  902354.9734  0.0131 -3.6880 3  663.6838372  5951614044643 3 4    4542 3 4      C-13-H3C(O)CH3
  902383.9302  0.0126 -3.6880 3  663.6420372  5951614044643 3 3    4542 3 3      C-13-H3C(O)CH3
  902386.4385  0.0125 -4.3357 3  455.3070340  595161404422320 4    412021 4      C-13-H3C(O)CH3
  902386.6816  0.0124 -4.3357 3  455.3070340  595161404422320 3    412021 3      C-13-H3C(O)CH3
  902460.0887  0.0128 -3.6879 3  663.6300372  5951614044643 4 3    4542 4 3      C-13-H3C(O)CH3
  902489.4335  0.0128 -3.6878 3  663.5882372  5951614044643 4 4    4542 4 4      C-13-H3C(O)CH3
  902568.7625  0.0856 -5.1550 3 1304.5417C40  595161404771958 0    762057 0      C-13-H3C(O)CH3
  902568.7625  0.0856 -5.1550 3 1304.5417C40  595161404772058 0    761957 0      C-13-H3C(O)CH3
  902568.7625  0.0856 -4.7350 3 1304.5417C40  595161404772058 0    762057 0      C-13-H3C(O)CH3
  902568.7625  0.0856 -4.7350 3 1304.5417C40  595161404771958 0    761957 0      C-13-H3C(O)CH3
  902593.7223  0.0865 -4.6927 3 1304.5578C40  595161404772058 1    762057 1      C-13-H3C(O)CH3
  902593.7223  0.0865 -5.2916 3 1304.5578C40  595161404772058 1    761957 1      C-13-H3C(O)CH3
  902593.7223  0.0865 -4.6927 3 1304.5578C40  595161404771958 1    761957 1      C-13-H3C(O)CH3
  902593.7223  0.0865 -5.2916 3 1304.5578C40  595161404771958 1    762057 1      C-13-H3C(O)CH3
  902595.6432  0.0881 -4.8971 3 1304.5584C40  595161404771958 2    762057 2      C-13-H3C(O)CH3
  902595.6432  0.0881 -4.8952 3 1304.5584C40  595161404772058 2    762057 2      C-13-H3C(O)CH3
  902595.6432  0.0881 -4.8971 3 1304.5584C40  595161404772058 2    761957 2      C-13-H3C(O)CH3
  902595.6432  0.0881 -4.8952 3 1304.5584C40  595161404771958 2    761957 2      C-13-H3C(O)CH3
  902620.6345  0.0729 -5.1762 3 1304.5745620  595161404772058 3    761957 3      C-13-H3C(O)CH3
  902620.6345  0.0729 -4.9096 3 1304.5745620  595161404771958 3    762057 3      C-13-H3C(O)CH3
  902620.6345  0.0729 -5.2193 3 1304.5745620  595161404772058 3    762057 3      C-13-H3C(O)CH3
  902620.6779  0.0729 -4.9175 3 1304.5745620  595161404772058 4    761957 4      C-13-H3C(O)CH3
  902620.6779  0.0729 -4.9175 3 1304.5745620  595161404771958 4    762057 4      C-13-H3C(O)CH3
  902736.3772  0.0224 -5.2678 3  214.5471568  59516140435 531 2    34 232 2      C-13-H3C(O)CH3
  902736.3772  0.0224 -5.3863 3  214.5471568  59516140435 531 2    34 332 2      C-13-H3C(O)CH3
  902736.3772  0.0224 -5.2678 3  214.5471568  59516140435 431 2    34 332 2      C-13-H3C(O)CH3
  902736.3772  0.0224 -5.3863 3  214.5471568  59516140435 431 2    34 232 2      C-13-H3C(O)CH3
  902738.9190  0.0239 -5.0234 3  214.5475568  59516140435 531 1    34 332 1      C-13-H3C(O)CH3
  902738.9190  0.0239 -5.0234 3  214.5475568  59516140435 431 1    34 232 1      C-13-H3C(O)CH3
  903000.3931  0.1853 -4.6413 3  847.5288452  595161404563423 4    553322 4      C-13-H3C(O)CH3
  903047.0554  0.1975 -4.6408 3  847.5281452  595161404563423 3    553322 3      C-13-H3C(O)CH3
  903108.2716  0.0377 -4.3773 3  510.8224356  595161404442519 3    432420 3      C-13-H3C(O)CH3
  903115.4831  0.0383 -4.3773 3  510.8223356  595161404442519 4    432420 4      C-13-H3C(O)CH3
  903158.9855  0.0369 -4.0765 3  510.8420712  595161404442519 2    432420 2      C-13-H3C(O)CH3
  903206.5933  0.0534 -4.6279 3 1379.1048D68  595161404851075 0    841074 0      C-13-H3C(O)CH3
  903206.5933  0.0534 -4.6279 3 1379.1048D68  595161404851175 0    841174 0      C-13-H3C(O)CH3
  903238.6529  0.0652 -4.7355 3 1379.0945D68  595161404851175 2    841174 2      C-13-H3C(O)CH3
  903238.6529  0.0652 -5.2510 3 1379.0945D68  595161404851175 2    841074 2      C-13-H3C(O)CH3
  903238.6529  0.0652 -4.7355 3 1379.0945D68  595161404851075 2    841074 2      C-13-H3C(O)CH3
  903238.6529  0.0652 -5.2510 3 1379.0945D68  595161404851075 2    841174 2      C-13-H3C(O)CH3
  903238.8540  0.0696 -5.0774 3 1379.0947D68  595161404851075 1    841174 1      C-13-H3C(O)CH3
  903238.8540  0.0696 -4.8060 3 1379.0947D68  595161404851075 1    841074 1      C-13-H3C(O)CH3
  903238.8540  0.0696 -4.8060 3 1379.0947D68  595161404851175 1    841174 1      C-13-H3C(O)CH3
  903238.8540  0.0696 -5.0774 3 1379.0947D68  595161404851175 1    841074 1      C-13-H3C(O)CH3
  903270.9336  0.0559 -4.9235 3 1379.0844684  595161404851175 3    841074 3      C-13-H3C(O)CH3
  903270.9336  0.0559 -4.9235 3 1379.0844684  595161404851075 3    841174 3      C-13-H3C(O)CH3
  903270.9751  0.0559 -5.4601 3 1379.0843684  595161404851175 4    841074 4      C-13-H3C(O)CH3
  903270.9751  0.0559 -5.0689 3 1379.0843684  595161404851175 4    841174 4      C-13-H3C(O)CH3
  903270.9751  0.0559 -5.4601 3 1379.0843684  595161404851075 4    841174 4      C-13-H3C(O)CH3
  903270.9751  0.0559 -5.0689 3 1379.0843684  595161404851075 4    841074 4      C-13-H3C(O)CH3
  903322.3185  0.0180 -4.0764 3  510.8463712  595161404442519 1    432420 1      C-13-H3C(O)CH3
  903327.8328  0.0622 -4.5176 3 1145.5154A80  595161404673037 0    663136 0      C-13-H3C(O)CH3
  903327.8334  0.0622 -4.5176 3 1145.5154A80  595161404673137 0    663036 0      C-13-H3C(O)CH3
  903345.8651  0.0625 -4.5177 3 1145.5317A80  595161404673037 1    663136 1      C-13-H3C(O)CH3
  903345.8659  0.0625 -4.5177 3 1145.5317A80  595161404673137 1    663036 1      C-13-H3C(O)CH3
  903345.8674  0.0577 -4.5123 3 1124.7195A64  595161404663135 0    653234 0      C-13-H3C(O)CH3
  903345.9016  0.0577 -4.5123 3 1124.7195A64  595161404663235 0    653134 0      C-13-H3C(O)CH3
  903348.0610  0.0651 -4.5177 3 1145.5336A80  595161404673037 2    663136 2      C-13-H3C(O)CH3
  903348.0617  0.0651 -4.5177 3 1145.5336A80  595161404673137 2    663036 2      C-13-H3C(O)CH3
  903366.1237  0.0600 -4.8187 3 1145.5500540  595161404673037 3    663136 3      C-13-H3C(O)CH3
  903366.1246  0.0600 -4.8187 3 1145.5500540  595161404673137 3    663036 3      C-13-H3C(O)CH3
  903366.1509  0.0600 -4.8187 3 1145.5500540  595161404673037 4    663136 4      C-13-H3C(O)CH3
  903366.1518  0.0600 -4.8187 3 1145.5500540  595161404673137 4    663036 4      C-13-H3C(O)CH3
  903367.2095  0.0580 -4.5124 3 1124.7349A64  595161404663135 1    653234 1      C-13-H3C(O)CH3
  903367.2511  0.0580 -4.5124 3 1124.7349A64  595161404663235 1    653134 1      C-13-H3C(O)CH3
  903369.4893  0.0608 -4.5123 3 1124.7368A64  595161404663135 2    653234 2      C-13-H3C(O)CH3
  903369.5263  0.0608 -4.5123 3 1124.7368A64  595161404663235 2    653134 2      C-13-H3C(O)CH3
  903369.8379  0.0199 -4.0767 3  510.8658712  595161404442519 0    432420 0      C-13-H3C(O)CH3
  903390.8687  0.0570 -4.8134 3 1124.7522532  595161404663135 3    653234 3      C-13-H3C(O)CH3
  903390.9004  0.0570 -4.8134 3 1124.7522532  595161404663135 4    653234 4      C-13-H3C(O)CH3
  903390.9138  0.0570 -4.8134 3 1124.7522532  595161404663235 3    653134 3      C-13-H3C(O)CH3
  903390.9453  0.0570 -4.8134 3 1124.7522532  595161404663235 4    653134 4      C-13-H3C(O)CH3
  903446.0598  0.0211 -5.0298 3  214.5104568  59516140435 431 0    34 232 0      C-13-H3C(O)CH3
  903446.0598  0.0211 -5.0298 3  214.5104568  59516140435 531 0    34 332 0      C-13-H3C(O)CH3
  903566.6297  0.0171 -5.1439 3 1405.4284740 -59516140492 390 4    91 389 4      C-13-H3C(O)CH3
  903566.6297  0.0171 -4.9517 3 1405.4283740 -59516140492 390 3    91 389 3      C-13-H3C(O)CH3
  903566.6297  0.0171 -5.2325 3 1405.4284740 -59516140492 290 4    91 389 4      C-13-H3C(O)CH3
  903566.6297  0.0171 -4.9517 3 1405.4283740 -59516140492 290 3    91 289 3      C-13-H3C(O)CH3
  903566.8921  0.0171 -5.2325 3 1405.4284740  59516140492 390 4    91 289 4      C-13-H3C(O)CH3
  903566.8921  0.0171 -5.1439 3 1405.4284740  59516140492 290 4    91 289 4      C-13-H3C(O)CH3
  903566.9024  0.0171 -5.7314 3 1405.4283740  59516140492 390 3    91 289 3      C-13-H3C(O)CH3
  903566.9024  0.0171 -5.7314 3 1405.4283740  59516140492 290 3    91 389 3      C-13-H3C(O)CH3
  903590.1779  0.0183 -4.8832 3 1405.4414E80 -59516140492 290 1    91 289 1      C-13-H3C(O)CH3
  903590.1779  0.0230 -4.6692 3 1405.4409E80 -59516140492 390 2    91 289 2      C-13-H3C(O)CH3
  903590.1779  0.0183 -4.8867 3 1405.4414E80 -59516140492 390 1    91 289 1      C-13-H3C(O)CH3
  903590.1779  0.0183 -4.8832 3 1405.4414E80 -59516140492 390 1    91 389 1      C-13-H3C(O)CH3
  903590.1779  0.0230 -5.3326 3 1405.4409E80 -59516140492 390 2    91 389 2      C-13-H3C(O)CH3
  903590.1779  0.0230 -5.3326 3 1405.4409E80 -59516140492 290 2    91 289 2      C-13-H3C(O)CH3
  903590.1779  0.0230 -4.6692 3 1405.4409E80 -59516140492 290 2    91 389 2      C-13-H3C(O)CH3
  903590.1779  0.0183 -4.8867 3 1405.4414E80 -59516140492 290 1    91 389 1      C-13-H3C(O)CH3
  903601.4104  0.0667 -4.5256 3 1165.6559A96  595161404682939 0    673038 0      C-13-H3C(O)CH3
  903601.4105  0.0667 -4.5256 3 1165.6559A96  595161404683039 0    672938 0      C-13-H3C(O)CH3
  903609.5810  0.0079 -4.4281 3  358.7443316  595161404391524 4    381425 4      C-13-H3C(O)CH3
  903609.5816  0.0079 -4.4281 3  358.7443316  595161404391624 4    381325 4      C-13-H3C(O)CH3
  903609.8832  0.0078 -4.4281 3  358.7443316  595161404391524 3    381425 3      C-13-H3C(O)CH3
  903609.8839  0.0078 -4.4281 3  358.7443316  595161404391624 3    381325 3      C-13-H3C(O)CH3
  903612.8910  0.0157 -4.5840 3 1405.4540E80  59516140492 390 0    91 389 0      C-13-H3C(O)CH3
  903613.3031  0.0157 -4.5840 3 1405.4540E80 -59516140492 290 0    91 289 0      C-13-H3C(O)CH3
  903617.3838  0.0672 -4.5257 3 1165.6730A96  595161404682939 1    673038 1      C-13-H3C(O)CH3
  903617.3838  0.0672 -4.5257 3 1165.6730A96  595161404683039 1    672938 1      C-13-H3C(O)CH3
  903619.6044  0.0694 -4.5258 3 1165.6747A96  595161404682939 2    673038 2      C-13-H3C(O)CH3
  903619.6044  0.0694 -4.5258 3 1165.6747A96  595161404683039 2    672938 2      C-13-H3C(O)CH3
  903629.0438  0.0842 -5.8298 3 1318.3317C56  595161404781960 0    771959 0      C-13-H3C(O)CH3
  903629.0438  0.0842 -4.6322 3 1318.3317C56  595161404781860 0    771959 0      C-13-H3C(O)CH3
  903629.0438  0.0842 -4.6322 3 1318.3317C56  595161404781960 0    771859 0      C-13-H3C(O)CH3
  903629.0438  0.0842 -5.8298 3 1318.3317C56  595161404781860 0    771859 0      C-13-H3C(O)CH3
  903635.6045  0.0629 -4.8267 3 1165.6919548  595161404682939 3    673038 3      C-13-H3C(O)CH3
  903635.6045  0.0629 -4.8267 3 1165.6919548  595161404683039 3    672938 3      C-13-H3C(O)CH3
  903635.6297  0.0629 -4.8267 3 1165.6919548  595161404682939 4    673038 4      C-13-H3C(O)CH3
  903635.6297  0.0629 -4.8267 3 1165.6919548  595161404683039 4    672938 4      C-13-H3C(O)CH3
  903635.8929  0.0074 -4.1273 3  358.7706632  595161404391524 2    381425 2      C-13-H3C(O)CH3
  903635.8934  0.0074 -4.1273 3  358.7706632  595161404391624 2    381325 2      C-13-H3C(O)CH3
  903645.8542  0.0073 -4.1272 3  358.7722632  595161404391524 1    381425 1      C-13-H3C(O)CH3
  903645.8548  0.0073 -4.1272 3  358.7722632  595161404391624 1    381325 1      C-13-H3C(O)CH3
  903655.9238  0.0845 -5.9938 3 1318.3467C56  595161404781960 1    771959 1      C-13-H3C(O)CH3
  903655.9238  0.0845 -5.9938 3 1318.3467C56  595161404781860 1    771859 1      C-13-H3C(O)CH3
  903655.9238  0.0845 -4.6237 3 1318.3467C56  595161404781960 1    771859 1      C-13-H3C(O)CH3
  903655.9238  0.0845 -4.6237 3 1318.3467C56  595161404781860 1    771959 1      C-13-H3C(O)CH3
  903657.6191  0.0864 -5.5862 3 1318.3472C56  595161404781860 2    771859 2      C-13-H3C(O)CH3
  903657.6191  0.0864 -4.6535 3 1318.3472C56  595161404781960 2    771859 2      C-13-H3C(O)CH3
  903657.6191  0.0864 -4.6535 3 1318.3472C56  595161404781860 2    771959 2      C-13-H3C(O)CH3
  903657.6191  0.0864 -5.5862 3 1318.3472C56  595161404781960 2    771959 2      C-13-H3C(O)CH3
  903671.8514  0.0063 -4.1274 3  358.7984632  595161404391524 0    381425 0      C-13-H3C(O)CH3
  903671.8519  0.0063 -4.1274 3  358.7984632  595161404391624 0    381325 0      C-13-H3C(O)CH3
  903684.5313  0.0723 -4.9187 3 1318.3622628  595161404781960 3    771859 3      C-13-H3C(O)CH3
  903684.5313  0.0723 -4.9187 3 1318.3622628  595161404781860 3    771959 3      C-13-H3C(O)CH3
  903684.5766  0.0723 -4.9169 3 1318.3622628  595161404781860 4    771859 4      C-13-H3C(O)CH3
  903684.5766  0.0723 -4.9169 3 1318.3622628  595161404781960 4    771959 4      C-13-H3C(O)CH3
  903810.1150  0.0533 -4.5110 3 1103.2279A48  595161404653233 0    643332 0      C-13-H3C(O)CH3
  903811.5826  0.0533 -4.5110 3 1103.2279A48  595161404653333 0    643232 0      C-13-H3C(O)CH3
  903836.7350  0.0535 -4.5112 3 1103.2419A48  595161404653233 1    643332 1      C-13-H3C(O)CH3
  903838.4134  0.0535 -4.5112 3 1103.2419A48  595161404653333 1    643232 1      C-13-H3C(O)CH3
  903839.3436  0.0565 -4.5111 3 1103.2439A48  595161404653233 2    643332 2      C-13-H3C(O)CH3
  903840.9170  0.0564 -4.5111 3 1103.2439A48  595161404653333 2    643232 2      C-13-H3C(O)CH3
  903866.0101  0.0538 -4.8123 3 1103.2580524  595161404653233 3    643332 3      C-13-H3C(O)CH3
  903866.0546  0.0538 -4.8123 3 1103.2580524  595161404653233 4    643332 4      C-13-H3C(O)CH3
  903867.8084  0.0537 -4.8123 3 1103.2579524  595161404653333 3    643232 3      C-13-H3C(O)CH3
  903867.8461  0.0537 -4.8123 3 1103.2579524  595161404653333 4    643232 4      C-13-H3C(O)CH3
  903966.3928  0.0058 -3.4444 3  668.8470760 -5951614044741 6 0    4640 7 0      C-13-H3C(O)CH3
  903966.3928  0.0058 -3.4444 3  668.8470760 -5951614044741 7 0    4640 6 0      C-13-H3C(O)CH3
  904013.8522  0.0072 -3.4444 3  668.8614760 -5951614044741 6 2    4640 6 2      C-13-H3C(O)CH3
  904056.9392  0.0068 -3.4443 3  668.8753760 -5951614044741 6 1    4640 6 1      C-13-H3C(O)CH3
  904063.1000  0.0068 -3.4444 3  668.8407760 -5951614044741 7 2    4640 7 2      C-13-H3C(O)CH3
  904075.7961  0.0711 -4.5585 3 1185.1685B12  595161404692841 0    682840 0      C-13-H3C(O)CH3
  904075.7961  0.0711 -5.7933 3 1185.1685B12  595161404692841 0    682940 0      C-13-H3C(O)CH3
  904075.7961  0.0711 -4.5599 3 1185.1685B12  595161404692941 0    682940 0      C-13-H3C(O)CH3
  904075.7961  0.0711 -5.8191 3 1185.1685B12  595161404692941 0    682840 0      C-13-H3C(O)CH3
  904090.5701  0.0718 -4.5412 3 1185.1862B12  595161404692841 1    682940 1      C-13-H3C(O)CH3
  904090.5701  0.0718 -4.5475 3 1185.1862B12  595161404692941 1    682840 1      C-13-H3C(O)CH3
  904092.8670  0.0736 -4.5369 3 1185.1878B12  595161404692941 2    682840 2      C-13-H3C(O)CH3
  904092.8670  0.0736 -4.5406 3 1185.1878B12  595161404692841 2    682940 2      C-13-H3C(O)CH3
  904103.9659  0.0108 -3.7454 3  668.8896380  5951614044741 6 4    4640 6 4      C-13-H3C(O)CH3
  904107.6662  0.0656 -4.8378 3 1185.2055556  595161404692941 3    682840 3      C-13-H3C(O)CH3
  904107.6662  0.0656 -4.8365 3 1185.2055556  595161404692841 3    682940 3      C-13-H3C(O)CH3
  904107.6908  0.0656 -4.8383 3 1185.2056556  595161404692941 4    682840 4      C-13-H3C(O)CH3
  904107.6908  0.0656 -4.8369 3 1185.2056556  595161404692841 4    682940 4      C-13-H3C(O)CH3
  904128.6281  0.0066 -3.4443 3  668.8354760 -5951614044741 7 1    4640 7 1      C-13-H3C(O)CH3
  904153.0775  0.0099 -3.7454 3  668.8690380  5951614044741 6 3    4640 6 3      C-13-H3C(O)CH3
  904175.3704  0.0101 -3.7453 3  668.8499380  5951614044741 7 3    4640 7 3      C-13-H3C(O)CH3
  904225.1395  0.0099 -3.7453 3  668.8292380  5951614044741 7 4    4640 7 4      C-13-H3C(O)CH3
  904296.2757  0.1712 -4.9040 3 1033.8451500  595161404623527 3    613626 3      C-13-H3C(O)CH3
  904302.9199  0.1656 -4.9040 3 1033.8449500  595161404623527 4    613626 4      C-13-H3C(O)CH3
  904400.5694  0.0547 -5.0004 3 1388.0242D84  59516140486 977 0    85 976 0      C-13-H3C(O)CH3
  904400.5694  0.0547 -4.8613 3 1388.0242D84  59516140486 977 0    851076 0      C-13-H3C(O)CH3
  904400.5694  0.0547 -4.8613 3 1388.0242D84  595161404861077 0    85 976 0      C-13-H3C(O)CH3
  904400.5694  0.0547 -5.0004 3 1388.0242D84  595161404861077 0    851076 0      C-13-H3C(O)CH3
  904429.3331  0.0720 -5.3507 3 1388.0086D84  595161404861077 2    851076 2      C-13-H3C(O)CH3
  904429.3331  0.0720 -4.7145 3 1388.0086D84  595161404861077 2    85 976 2      C-13-H3C(O)CH3
  904429.3331  0.0720 -4.7145 3 1388.0086D84  59516140486 977 2    851076 2      C-13-H3C(O)CH3
  904429.3331  0.0720 -5.3507 3 1388.0086D84  59516140486 977 2    85 976 2      C-13-H3C(O)CH3
  904429.5500  0.0768 -5.8302 3 1388.0088D84  59516140486 977 1    85 976 1      C-13-H3C(O)CH3
  904429.5500  0.0768 -5.8302 3 1388.0088D84  595161404861077 1    851076 1      C-13-H3C(O)CH3
  904429.5500  0.0768 -4.6521 3 1388.0088D84  595161404861077 1    85 976 1      C-13-H3C(O)CH3
  904429.5500  0.0768 -4.6521 3 1388.0088D84  59516140486 977 1    851076 1      C-13-H3C(O)CH3
  904458.3291  0.0547 -5.1637 3 1387.9932692  59516140486 977 3    851076 3      C-13-H3C(O)CH3
  904458.3291  0.0547 -5.8851 3 1387.9932692  59516140486 977 3    85 976 3      C-13-H3C(O)CH3
  904458.3291  0.0547 -5.2993 3 1387.9932692  595161404861077 3    851076 3      C-13-H3C(O)CH3
  904458.3291  0.0547 -4.9757 3 1387.9932692  595161404861077 3    85 976 3      C-13-H3C(O)CH3
  904458.3626  0.0547 -5.2069 3 1387.9932692  59516140486 977 4    85 976 4      C-13-H3C(O)CH3
  904458.3626  0.0547 -5.2465 3 1387.9932692  59516140486 977 4    851076 4      C-13-H3C(O)CH3
  904458.3626  0.0547 -5.2465 3 1387.9932692  595161404861077 4    85 976 4      C-13-H3C(O)CH3
  904458.3626  0.0547 -5.2069 3 1387.9932692  595161404861077 4    851076 4      C-13-H3C(O)CH3
  904458.9755  0.1450 -4.6019 3 1033.8349A00  595161404623527 1    613626 1      C-13-H3C(O)CH3
  904527.6278  0.1929 -4.6016 3 1033.8361A00  595161404623527 2    613626 2      C-13-H3C(O)CH3
  904581.2967  0.0228 -5.3921 3  352.4864292  595161404362611 4    352313 4      C-13-H3C(O)CH3
  904650.0214  0.0165 -5.1954 3  352.5070584  595161404362611 1    352313 1      C-13-H3C(O)CH3
  904681.2745  0.1532 -4.6005 3 1033.8261A00  595161404623527 0    613626 0      C-13-H3C(O)CH3
  904694.0684  0.0754 -4.5713 3 1204.0730B28  595161404702743 0    692842 0      C-13-H3C(O)CH3
  904694.0684  0.0754 -4.5713 3 1204.0730B28  595161404702843 0    692742 0      C-13-H3C(O)CH3
  904694.0684  0.0754 -5.7956 3 1204.0730B28  595161404702843 0    692842 0      C-13-H3C(O)CH3
  904694.0684  0.0754 -5.7956 3 1204.0730B28  595161404702743 0    692742 0      C-13-H3C(O)CH3
  904703.6934  0.0144 -5.1121 3  709.0348824  595161404513319 1    503219 1      C-13-H3C(O)CH3
  904708.2866  0.0763 -4.7363 3 1204.0911B28  595161404702743 1    692842 1      C-13-H3C(O)CH3
  904708.2866  0.0763 -4.9964 3 1204.0911B28  595161404702843 1    692842 1      C-13-H3C(O)CH3
  904708.2866  0.0763 -4.7363 3 1204.0911B28  595161404702843 1    692742 1      C-13-H3C(O)CH3
  904708.2866  0.0763 -4.9964 3 1204.0911B28  595161404702743 1    692742 1      C-13-H3C(O)CH3
  904708.4783  0.0818 -5.5040 3 1331.5777C72  595161404791862 0    781761 0      C-13-H3C(O)CH3
  904708.4783  0.0818 -5.5040 3 1331.5777C72  595161404791762 0    781861 0      C-13-H3C(O)CH3
  904708.4783  0.0818 -4.6755 3 1331.5777C72  595161404791762 0    781761 0      C-13-H3C(O)CH3
  904708.4783  0.0818 -4.6755 3 1331.5777C72  595161404791862 0    781861 0      C-13-H3C(O)CH3
  904710.6772  0.0778 -5.1158 3 1204.0927B28  595161404702843 2    692742 2      C-13-H3C(O)CH3
  904710.6772  0.0778 -4.6825 3 1204.0927B28  595161404702743 2    692742 2      C-13-H3C(O)CH3
  904710.6772  0.0778 -5.1158 3 1204.0927B28  595161404702743 2    692842 2      C-13-H3C(O)CH3
  904710.6772  0.0778 -4.6825 3 1204.0927B28  595161404702843 2    692842 2      C-13-H3C(O)CH3
  904714.7447  0.0159 -4.8918 3  709.0365824  595161404513319 2    503219 2      C-13-H3C(O)CH3
  904724.9199  0.0682 -4.8588 3 1204.1108564  595161404702843 3    692742 3      C-13-H3C(O)CH3
  904724.9199  0.0682 -4.8588 3 1204.1108564  595161404702743 3    692842 3      C-13-H3C(O)CH3
  904724.9448  0.0682 -4.8549 3 1204.1108564  595161404702743 4    692842 4      C-13-H3C(O)CH3
  904724.9448  0.0682 -4.8726 3 1204.1108564  595161404702743 4    692742 4      C-13-H3C(O)CH3
  904724.9448  0.0682 -5.2011 3 1204.1108564  595161404702843 4    692742 4      C-13-H3C(O)CH3
  904724.9448  0.0682 -5.1066 3 1204.1108564  595161404702843 4    692842 4      C-13-H3C(O)CH3
  904737.3024  0.0814 -4.7479 3 1331.5913C72  595161404791762 1    781761 1      C-13-H3C(O)CH3
  904737.3024  0.0814 -5.1957 3 1331.5913C72  595161404791762 1    781861 1      C-13-H3C(O)CH3
  904737.3024  0.0814 -4.7479 3 1331.5913C72  595161404791862 1    781861 1      C-13-H3C(O)CH3
  904737.3024  0.0814 -5.1957 3 1331.5913C72  595161404791862 1    781761 1      C-13-H3C(O)CH3
  904738.7390  0.0834 -4.6168 3 1331.5916C72  595161404791762 2    781861 2      C-13-H3C(O)CH3
  904738.7390  0.0834 -4.6168 3 1331.5916C72  595161404791862 2    781761 2      C-13-H3C(O)CH3
  904741.8961  1.2687 -5.7776 3 1259.9209548  595161404684127 3    674226 3      C-13-H3C(O)CH3
  904751.1209  0.0220 -4.7864 3  709.0373412  595161404513319 4    503219 4      C-13-H3C(O)CH3
  904767.5960  0.0712 -5.2053 3 1331.6053636  595161404791762 3    781861 3      C-13-H3C(O)CH3
  904767.5960  0.0712 -5.2053 3 1331.6053636  595161404791862 3    781761 3      C-13-H3C(O)CH3
  904767.5960  0.0712 -5.2301 3 1331.6053636  595161404791762 3    781761 3      C-13-H3C(O)CH3
  904767.5960  0.0712 -5.2301 3 1331.6053636  595161404791862 3    781861 3      C-13-H3C(O)CH3
  904767.6431  0.0713 -4.9509 3 1331.6053636  595161404791762 4    781861 4      C-13-H3C(O)CH3
  904767.6431  0.0713 -6.0342 3 1331.6053636  595161404791762 4    781761 4      C-13-H3C(O)CH3
  904767.6431  0.0713 -6.0342 3 1331.6053636  595161404791862 4    781861 4      C-13-H3C(O)CH3
  904767.6431  0.0713 -4.9509 3 1331.6053636  595161404791862 4    781761 4      C-13-H3C(O)CH3
  904774.7097  0.0236 -5.4086 3  352.4864292  595161404362611 3    352313 3      C-13-H3C(O)CH3
  904776.0873  1.1982 -5.7790 3 1259.9200548  595161404684127 4    674226 4      C-13-H3C(O)CH3
  904792.4510  0.0121 -4.6616 3  384.7361616  595161404382513 0    372216 0      C-13-H3C(O)CH3
  904830.1253  0.0197 -5.0961 3  352.5089584  595161404362611 2    352313 2      C-13-H3C(O)CH3
  904846.5710  0.0179 -5.0635 3  352.5070584  595161404362610 1    352313 1      C-13-H3C(O)CH3
  904854.2089  0.0167 -4.9049 3 1410.0955748  59516140493 192 3    92 291 3      C-13-H3C(O)CH3
  904854.2089  0.0167 -4.9049 3 1410.0955748  59516140493 292 3    92 191 3      C-13-H3C(O)CH3
  904854.2325  0.0167 -5.3541 3 1410.0955748  59516140493 192 4    92 291 4      C-13-H3C(O)CH3
  904854.2325  0.0167 -5.0617 3 1410.0955748  59516140493 192 4    92 191 4      C-13-H3C(O)CH3
  904854.2325  0.0167 -5.0617 3 1410.0955748  59516140493 292 4    92 291 4      C-13-H3C(O)CH3
  904854.2325  0.0167 -5.3541 3 1410.0955748  59516140493 292 4    92 191 4      C-13-H3C(O)CH3
  904867.3068  0.0126 -4.6621 3  384.7148616  595161404382513 1    372216 1      C-13-H3C(O)CH3
  904874.0323  0.0255 -4.5910 3 1410.0807E96  59516140493 292 2    92 291 2      C-13-H3C(O)CH3
  904874.0323  0.0255 -4.5910 3 1410.0807E96  59516140493 192 2    92 191 2      C-13-H3C(O)CH3
  904874.1566  0.0196 -5.1980 3 1410.0812E96 -59516140493 192 1    92 291 1      C-13-H3C(O)CH3
  904874.1566  0.0196 -5.1980 3 1410.0812E96 -59516140493 292 1    92 191 1      C-13-H3C(O)CH3
  904874.2737  0.0196 -4.7019 3 1410.0812E96  59516140493 192 1    92 191 1      C-13-H3C(O)CH3
  904874.2737  0.0196 -4.7019 3 1410.0812E96  59516140493 292 1    92 291 1      C-13-H3C(O)CH3
  904893.9422  0.0158 -4.5975 3 1410.0665E96 -59516140493 192 0    92 291 0      C-13-H3C(O)CH3
  904893.9422  0.0158 -6.0257 3 1410.0665E96 -59516140493 192 0    92 191 0      C-13-H3C(O)CH3
  904893.9422  0.0158 -4.5975 3 1410.0665E96 -59516140493 292 0    92 191 0      C-13-H3C(O)CH3
  904893.9422  0.0158 -6.0257 3 1410.0665E96 -59516140493 292 0    92 291 0      C-13-H3C(O)CH3
  904913.3152  0.0139 -4.8252 3  352.5294584  595161404362610 0    352313 0      C-13-H3C(O)CH3
  904993.3999  0.0490 -4.5167 3 1080.9778A32  595161404643331 0    633430 0      C-13-H3C(O)CH3
  905027.2991  0.0491 -4.5169 3 1080.9898A32  595161404643331 1    633430 1      C-13-H3C(O)CH3
  905031.3577  0.0523 -4.5168 3 1080.9919A32  595161404643331 2    633430 2      C-13-H3C(O)CH3
  905041.8988  0.0491 -4.5166 3 1080.9765A32  595161404643431 0    633330 0      C-13-H3C(O)CH3
  905065.2312  0.0508 -4.8180 3 1081.0039516  595161404643331 3    633430 3      C-13-H3C(O)CH3
  905065.3498  0.0507 -4.8180 3 1081.0040516  595161404643331 4    633430 4      C-13-H3C(O)CH3
  905080.3376  0.0489 -4.5168 3 1080.9884A32  595161404643431 1    633330 1      C-13-H3C(O)CH3
  905082.6365  0.0512 -4.5168 3 1080.9906A32  595161404643431 2    633330 2      C-13-H3C(O)CH3
  905098.5246  0.0285 -5.4428 3  352.4864292  595161404362610 3    352313 3      C-13-H3C(O)CH3
  905121.2890  0.0492 -4.8179 3 1081.0025516  595161404643431 3    633330 3      C-13-H3C(O)CH3
  905121.2979  0.0493 -4.8179 3 1081.0025516  595161404643431 4    633330 4      C-13-H3C(O)CH3
  905160.5374  0.0150 -4.6699 3  384.7092616  595161404382513 2    372216 2      C-13-H3C(O)CH3
  905181.2188  0.0135 -4.9649 3  384.6879308  595161404382513 3    372216 3      C-13-H3C(O)CH3
  905278.1730  0.0181 -4.9767 3  384.6878308  595161404382513 4    372216 4      C-13-H3C(O)CH3
  905293.7435  0.0310 -5.4615 3  352.4864292  595161404362610 4    352313 4      C-13-H3C(O)CH3
  905348.4502  0.0261 -5.1587 3  352.5089584  595161404362610 2    352313 2      C-13-H3C(O)CH3
  905373.8644  0.0118 -5.7781 3  239.3342504  595161404311714 2    301417 2      C-13-H3C(O)CH3
  905418.7466  0.0794 -4.8006 3 1222.3840B44  595161404712745 0    702644 0      C-13-H3C(O)CH3
  905418.7466  0.0794 -4.9259 3 1222.3840B44  595161404712745 0    702744 0      C-13-H3C(O)CH3
  905418.7466  0.0794 -4.8006 3 1222.3840B44  595161404712645 0    702744 0      C-13-H3C(O)CH3
  905418.7466  0.0794 -4.9259 3 1222.3840B44  595161404712645 0    702644 0      C-13-H3C(O)CH3
  905432.9228  0.0805 -4.5693 3 1222.4024B44  595161404712745 1    702644 1      C-13-H3C(O)CH3
  905432.9228  0.0805 -4.5693 3 1222.4024B44  595161404712645 1    702744 1      C-13-H3C(O)CH3
  905435.4019  0.0819 -5.6232 3 1222.4039B44  595161404712745 2    702644 2      C-13-H3C(O)CH3
  905435.4019  0.0819 -4.5968 3 1222.4039B44  595161404712645 2    702644 2      C-13-H3C(O)CH3
  905435.4019  0.0819 -4.8706 3 1222.4039B44  595161404712745 2    702744 2      C-13-H3C(O)CH3
  905435.4019  0.0819 -4.8472 3 1222.4039B44  595161404712645 2    702744 2      C-13-H3C(O)CH3
  905449.6026  0.0705 -4.9652 3 1222.4224572  595161404712745 3    702644 3      C-13-H3C(O)CH3
  905449.6026  0.0705 -5.5218 3 1222.4224572  595161404712745 3    702744 3      C-13-H3C(O)CH3
  905449.6026  0.0705 -5.5218 3 1222.4224572  595161404712645 3    702644 3      C-13-H3C(O)CH3
  905449.6026  0.0705 -4.9652 3 1222.4224572  595161404712645 3    702744 3      C-13-H3C(O)CH3
  905449.6285  0.0705 -5.3813 3 1222.4224572  595161404712745 4    702644 4      C-13-H3C(O)CH3
  905449.6285  0.0705 -5.0138 3 1222.4224572  595161404712745 4    702744 4      C-13-H3C(O)CH3
  905449.6285  0.0705 -5.3813 3 1222.4224572  595161404712645 4    702744 4      C-13-H3C(O)CH3
  905449.6285  0.0705 -5.0138 3 1222.4224572  595161404712645 4    702644 4      C-13-H3C(O)CH3
  905504.9050  0.0056 -3.5132 3  675.7667776 -595161404483910 0    4738 9 0      C-13-H3C(O)CH3
  905504.9050  0.0056 -3.5132 3  675.7667776 -5951614044839 9 0    473810 0      C-13-H3C(O)CH3
  905516.8041  0.0070 -3.5133 3  675.7901776 -5951614044839 9 2    4738 9 2      C-13-H3C(O)CH3
  905550.6283  0.0105 -5.7780 3  239.3524504  595161404311714 0    301417 0      C-13-H3C(O)CH3
  905574.1149  0.0065 -3.5132 3  675.7893776 -5951614044839 9 1    4738 9 1      C-13-H3C(O)CH3
  905577.4758  0.0120 -5.7773 3  239.3372504  595161404311714 1    301417 1      C-13-H3C(O)CH3
  905585.6121  0.0103 -3.8144 3  675.8127388  5951614044839 9 4    4738 9 4      C-13-H3C(O)CH3
  905605.6623  0.9871 -5.4758 3 1259.8959A96  595161404684127 1    674226 1      C-13-H3C(O)CH3
  905605.7887  0.0066 -3.5132 3  675.7767776 -595161404483910 2    473810 2      C-13-H3C(O)CH3
  905608.5629  0.0567 -4.8266 3 1396.4127E00  59516140487 879 0    86 878 0      C-13-H3C(O)CH3
  905608.5629  0.0567 -5.0632 3 1396.4127E00  59516140487 879 0    86 978 0      C-13-H3C(O)CH3
  905608.5629  0.0567 -4.8266 3 1396.4127E00  59516140487 979 0    86 978 0      C-13-H3C(O)CH3
  905608.5629  0.0567 -5.0632 3 1396.4127E00  59516140487 979 0    86 878 0      C-13-H3C(O)CH3
  905632.5855  0.0783 -4.6340 3 1396.3918E00  59516140487 879 2    86 978 2      C-13-H3C(O)CH3
  905632.5855  0.0783 -4.6340 3 1396.3918E00  59516140487 979 2    86 878 2      C-13-H3C(O)CH3
  905632.7527  0.0830 -5.1120 3 1396.3919E00  59516140487 879 1    86 878 1      C-13-H3C(O)CH3
  905632.7527  0.0830 -4.8006 3 1396.3919E00  59516140487 979 1    86 878 1      C-13-H3C(O)CH3
  905632.7527  0.0830 -5.1120 3 1396.3919E00  59516140487 979 1    86 978 1      C-13-H3C(O)CH3
  905632.7527  0.0830 -4.8006 3 1396.3919E00  59516140487 879 1    86 978 1      C-13-H3C(O)CH3
  905640.4864  0.0064 -3.5131 3  675.7610776 -595161404483910 1    473810 1      C-13-H3C(O)CH3
  905652.2011  0.0094 -3.8143 3  675.7845388  595161404483910 3    473810 3      C-13-H3C(O)CH3
  905656.7868  0.0532 -5.2893 3 1396.3709700  59516140487 879 3    86 978 3      C-13-H3C(O)CH3
  905656.7868  0.0532 -5.1777 3 1396.3709700  59516140487 879 3    86 878 3      C-13-H3C(O)CH3
  905656.7868  0.0532 -5.2893 3 1396.3709700  59516140487 979 3    86 878 3      C-13-H3C(O)CH3
  905656.7868  0.0532 -5.1777 3 1396.3709700  59516140487 979 3    86 978 3      C-13-H3C(O)CH3
  905656.8088  0.0532 -4.9424 3 1396.3708700  59516140487 979 4    86 878 4      C-13-H3C(O)CH3
  905656.8088  0.0532 -4.9424 3 1396.3708700  59516140487 879 4    86 978 4      C-13-H3C(O)CH3
  905674.7484  0.0091 -3.8143 3  675.7993388  5951614044839 9 3    4738 9 3      C-13-H3C(O)CH3
  905741.6717  0.0089 -3.8142 3  675.7710388  595161404483910 4    473810 4      C-13-H3C(O)CH3
  905805.2156  0.0784 -5.0846 3 1344.2819C88  595161404801664 0    791663 0      C-13-H3C(O)CH3
  905805.2156  0.0784 -4.8098 3 1344.2819C88  595161404801664 0    791763 0      C-13-H3C(O)CH3
  905805.2156  0.0784 -5.0846 3 1344.2819C88  595161404801764 0    791763 0      C-13-H3C(O)CH3
  905805.2156  0.0784 -4.8098 3 1344.2819C88  595161404801764 0    791663 0      C-13-H3C(O)CH3
  905835.9189  0.0773 -4.8412 3 1344.2938C88  595161404801664 1    791663 1      C-13-H3C(O)CH3
  905835.9189  0.0773 -4.8412 3 1344.2938C88  595161404801764 1    791763 1      C-13-H3C(O)CH3
  905835.9189  0.0773 -5.0311 3 1344.2938C88  595161404801664 1    791763 1      C-13-H3C(O)CH3
  905835.9189  0.0773 -5.0311 3 1344.2938C88  595161404801764 1    791663 1      C-13-H3C(O)CH3
  905837.0731  0.0794 -4.6263 3 1344.2940C88  595161404801664 2    791663 2      C-13-H3C(O)CH3
  905837.0731  0.0794 -4.6263 3 1344.2940C88  595161404801764 2    791763 2      C-13-H3C(O)CH3
  905867.8096  0.0699 -5.0704 3 1344.3059644  595161404801764 3    791663 3      C-13-H3C(O)CH3
  905867.8096  0.0699 -5.0704 3 1344.3059644  595161404801664 3    791763 3      C-13-H3C(O)CH3
  905867.8096  0.0699 -5.4738 3 1344.3059644  595161404801664 3    791663 3      C-13-H3C(O)CH3
  905867.8096  0.0699 -5.4738 3 1344.3059644  595161404801764 3    791763 3      C-13-H3C(O)CH3
  905867.8583  0.0699 -5.2871 3 1344.3059644  595161404801664 4    791763 4      C-13-H3C(O)CH3
  905867.8583  0.0699 -5.1740 3 1344.3059644  595161404801664 4    791663 4      C-13-H3C(O)CH3
  905867.8583  0.0699 -5.1740 3 1344.3059644  595161404801764 4    791763 4      C-13-H3C(O)CH3
  905867.8583  0.0699 -5.2871 3 1344.3059644  595161404801764 4    791663 4      C-13-H3C(O)CH3
  906110.5161  1.3679 -5.4747 3 1259.8916A96  595161404684127 2    674226 2      C-13-H3C(O)CH3
  906165.0263  0.0281 -5.0031 3 1414.2519756  59516140494 194 4    93 093 4      C-13-H3C(O)CH3
  906165.0263  0.0281 -5.4860 3 1414.2519756  59516140494 194 4    93 193 4      C-13-H3C(O)CH3
  906165.0263  0.0281 -5.4860 3 1414.2519756  59516140494 094 4    93 093 4      C-13-H3C(O)CH3
  906165.0263  0.0281 -5.0031 3 1414.2519756  59516140494 094 4    93 193 4      C-13-H3C(O)CH3
  906165.0496  0.0281 -4.8951 3 1414.2519756  59516140494 094 3    93 093 3      C-13-H3C(O)CH3
  906165.0496  0.0281 -4.8951 3 1414.2519756  59516140494 194 3    93 193 3      C-13-H3C(O)CH3
  906167.1960  0.0302 -5.0935 3 1414.1905F12  59516140494 194 1    93 193 1      C-13-H3C(O)CH3
  906167.1960  0.0302 -5.0935 3 1414.1905F12  59516140494 094 1    93 093 1      C-13-H3C(O)CH3
  906167.3997  0.0434 -4.6686 3 1414.1904F12  59516140494 094 2    93 193 2      C-13-H3C(O)CH3
  906167.3997  0.0434 -5.3053 3 1414.1904F12  59516140494 194 2    93 193 2      C-13-H3C(O)CH3
  906167.3997  0.0434 -5.3053 3 1414.1904F12  59516140494 094 2    93 093 2      C-13-H3C(O)CH3
  906167.3997  0.0434 -4.6686 3 1414.1904F12  59516140494 194 2    93 093 2      C-13-H3C(O)CH3
  906167.4146  0.0302 -4.7367 3 1414.1905F12 -59516140494 094 1    93 193 1      C-13-H3C(O)CH3
  906167.4146  0.0302 -4.7367 3 1414.1905F12 -59516140494 194 1    93 093 1      C-13-H3C(O)CH3
  906169.5256  0.0287 -4.5807 3 1414.1292F12  59516140494 194 0    93 193 0      C-13-H3C(O)CH3
  906169.5256  0.0287 -4.5807 3 1414.1292F12  59516140494 094 0    93 093 0      C-13-H3C(O)CH3
  906224.2198  0.0831 -5.5285 3 1240.1128B60  595161404722547 0    712646 0      C-13-H3C(O)CH3
  906224.2198  0.0831 -4.6203 3 1240.1128B60  595161404722547 0    712546 0      C-13-H3C(O)CH3
  906224.2198  0.0831 -5.5285 3 1240.1128B60  595161404722647 0    712546 0      C-13-H3C(O)CH3
  906224.2198  0.0831 -4.6203 3 1240.1128B60  595161404722647 0    712646 0      C-13-H3C(O)CH3
  906236.6788  0.0966 -4.3901 3  646.1082396  595161404493019 3    482920 3      C-13-H3C(O)CH3
  906238.7837  0.0845 -4.5729 3 1240.1314B60  595161404722547 1    712646 1      C-13-H3C(O)CH3
  906238.7837  0.0845 -4.5729 3 1240.1314B60  595161404722647 1    712546 1      C-13-H3C(O)CH3
  906241.3307  0.0856 -4.7102 3 1240.1328B60  595161404722547 2    712646 2      C-13-H3C(O)CH3
  906241.3307  0.0856 -5.1282 3 1240.1328B60  595161404722647 2    712646 2      C-13-H3C(O)CH3
  906241.3307  0.0856 -4.7102 3 1240.1328B60  595161404722647 2    712546 2      C-13-H3C(O)CH3
  906241.3307  0.0856 -5.1282 3 1240.1328B60  595161404722547 2    712546 2      C-13-H3C(O)CH3
  906255.1139  0.0284 -4.5063 3  451.8732664  595161404412715 0    402416 0      C-13-H3C(O)CH3
  906255.9194  0.0726 -5.3603 3 1240.1514580  595161404722647 3    712546 3      C-13-H3C(O)CH3
  906255.9194  0.0726 -5.0409 3 1240.1514580  595161404722547 3    712546 3      C-13-H3C(O)CH3
  906255.9194  0.0726 -5.3603 3 1240.1514580  595161404722547 3    712646 3      C-13-H3C(O)CH3
  906255.9194  0.0726 -5.0409 3 1240.1514580  595161404722647 3    712646 3      C-13-H3C(O)CH3
  906255.9468  0.0726 -4.9098 3 1240.1515580  595161404722547 4    712546 4      C-13-H3C(O)CH3
  906255.9468  0.0726 -5.9367 3 1240.1515580  595161404722547 4    712646 4      C-13-H3C(O)CH3
  906255.9468  0.0726 -4.9098 3 1240.1515580  595161404722647 4    712646 4      C-13-H3C(O)CH3
  906255.9468  0.0726 -5.9367 3 1240.1515580  595161404722647 4    712546 4      C-13-H3C(O)CH3
  906295.9452  0.0902 -4.3910 3  646.1075396  595161404493019 4    482920 4      C-13-H3C(O)CH3
  906365.8567  0.0079 -3.7140 3  695.4750808 -595161404503516 0    493415 0      C-13-H3C(O)CH3
  906424.5379  0.0079 -3.7140 3  695.4736808  595161404503515 0    493416 0      C-13-H3C(O)CH3
  906428.9151  0.0269 -4.5132 3  451.8521664  595161404412715 1    402416 1      C-13-H3C(O)CH3
  906439.2060  0.1063 -5.7840 3  695.5223404  595161404503516 3    493415 3      C-13-H3C(O)CH3
  906459.5960  0.0082 -3.7144 3  695.5218808 -595161404503515 2    493415 2      C-13-H3C(O)CH3
  906480.0882  0.0083 -3.7145 3  695.5060808 -595161404503515 1    493415 1      C-13-H3C(O)CH3
  906510.4040  0.0059 -3.5989 3  684.5488792 -595161404493712 0    483613 0      C-13-H3C(O)CH3
  906510.4040  0.0059 -3.5989 3  684.5488792 -595161404493713 0    483612 0      C-13-H3C(O)CH3
  906524.4118  0.0068 -3.5992 3  684.5869792 -595161404493712 2    483612 2      C-13-H3C(O)CH3
  906533.9701  0.0930 -4.0916 3  646.1158792  595161404493019 2    482920 2      C-13-H3C(O)CH3
  906545.5666  0.0116 -4.0153 3  695.5534404  595161404503515 4    493415 4      C-13-H3C(O)CH3
  906557.3668  0.0083 -3.7142 3  695.4748808 -595161404503516 1    493416 1      C-13-H3C(O)CH3
  906571.7220  0.0067 -3.5990 3  684.5746792 -595161404493712 1    483612 1      C-13-H3C(O)CH3
  906585.8125  0.0094 -3.9003 3  684.6127396  595161404493712 4    483612 4      C-13-H3C(O)CH3
  906593.4631  0.0083 -3.7138 3  695.4827808 -595161404503516 2    493416 2      C-13-H3C(O)CH3
  906620.8808  0.0118 -4.0224 3  695.5223404  595161404503515 3    493415 3      C-13-H3C(O)CH3
  906647.4072  0.0071 -3.5989 3  684.5499792 -595161404493713 1    483613 1      C-13-H3C(O)CH3
  906649.7326  0.0068 -3.5988 3  684.5659792 -595161404493713 2    483613 2      C-13-H3C(O)CH3
  906661.9018  0.0093 -3.9002 3  684.5880396  595161404493713 3    483613 3      C-13-H3C(O)CH3
  906669.1361  0.0981 -4.4211 3  617.9369388  595161404482919 3    472820 3      C-13-H3C(O)CH3
  906680.0535  0.0118 -4.0221 3  695.5143404  595161404503516 3    493416 3      C-13-H3C(O)CH3
  906703.1636  0.0945 -4.4215 3  617.9365388  595161404482919 4    472820 4      C-13-H3C(O)CH3
  906711.3896  0.0088 -3.9000 3  684.5917396  595161404493712 3    483612 3      C-13-H3C(O)CH3
  906712.7371  0.0517 -4.0926 3  646.1184792  595161404493019 1    482920 1      C-13-H3C(O)CH3
  906746.5783  0.2125 -4.4757 3  938.4967952  595161404593525 0    583424 0      C-13-H3C(O)CH3
  906755.2832  0.0119 -4.0144 3  695.4832404  595161404503516 4    493416 4      C-13-H3C(O)CH3
  906787.3634  0.0098 -3.8998 3  684.5669396  595161404493713 4    483613 4      C-13-H3C(O)CH3
  906830.7569  0.0577 -4.7343 3 1404.2711E16  59516140488 881 0    87 780 0      C-13-H3C(O)CH3
  906830.7569  0.0577 -5.3047 3 1404.2711E16  59516140488 881 0    87 880 0      C-13-H3C(O)CH3
  906830.7569  0.0577 -5.3047 3 1404.2711E16  59516140488 781 0    87 780 0      C-13-H3C(O)CH3
  906830.7569  0.0577 -4.7343 3 1404.2711E16  59516140488 781 0    87 880 0      C-13-H3C(O)CH3
  906848.4631  0.0819 -5.0176 3 1404.2449E16  59516140488 781 2    87 880 2      C-13-H3C(O)CH3
  906848.4631  0.0819 -4.8603 3 1404.2449E16  59516140488 881 2    87 880 2      C-13-H3C(O)CH3
  906848.4631  0.0819 -4.8603 3 1404.2449E16  59516140488 781 2    87 780 2      C-13-H3C(O)CH3
  906848.4631  0.0819 -5.0176 3 1404.2449E16  59516140488 881 2    87 780 2      C-13-H3C(O)CH3
  906848.5332  0.0859 -4.6455 3 1404.2450E16  59516140488 781 1    87 780 1      C-13-H3C(O)CH3
  906848.5332  0.0859 -4.6455 3 1404.2450E16  59516140488 881 1    87 880 1      C-13-H3C(O)CH3
  906861.7283  0.1074 -5.7837 3  695.5143404  595161404503515 3    493416 3      C-13-H3C(O)CH3
  906866.2483  0.0510 -5.8264 3 1404.2186708  59516140488 781 3    87 880 3      C-13-H3C(O)CH3
  906866.2483  0.0510 -5.8264 3 1404.2186708  59516140488 881 3    87 780 3      C-13-H3C(O)CH3
  906866.2483  0.0510 -4.9910 3 1404.2186708  59516140488 781 3    87 780 3      C-13-H3C(O)CH3
  906866.2483  0.0510 -4.9910 3 1404.2186708  59516140488 881 3    87 880 3      C-13-H3C(O)CH3
  906866.2554  0.0510 -4.9326 3 1404.2186708  59516140488 781 4    87 880 4      C-13-H3C(O)CH3
  906866.2554  0.0510 -4.9326 3 1404.2186708  59516140488 881 4    87 780 4      C-13-H3C(O)CH3
  906884.3801  1.0797 -5.9464 3 1458.7413B76  595161404734528 1    724627 1      C-13-H3C(O)CH3
  906917.8949  0.0743 -5.0350 3 1356.4465D04  595161404811566 0    801665 0      C-13-H3C(O)CH3
  906917.8949  0.0743 -4.8532 3 1356.4465D04  595161404811566 0    801565 0      C-13-H3C(O)CH3
  906917.8949  0.0743 -4.8532 3 1356.4465D04  595161404811666 0    801665 0      C-13-H3C(O)CH3
  906917.8949  0.0743 -5.0350 3 1356.4465D04  595161404811666 0    801565 0      C-13-H3C(O)CH3
  906950.3023  0.0726 -5.0353 3 1356.4563D04  595161404811666 1    801565 1      C-13-H3C(O)CH3
  906950.3023  0.0726 -5.0353 3 1356.4563D04  595161404811566 1    801665 1      C-13-H3C(O)CH3
  906950.3023  0.0726 -4.8530 3 1356.4563D04  595161404811566 1    801565 1      C-13-H3C(O)CH3
  906950.3023  0.0726 -4.8530 3 1356.4563D04  595161404811666 1    801665 1      C-13-H3C(O)CH3
  906951.1633  0.0744 -5.1618 3 1356.4564D04  595161404811566 2    801665 2      C-13-H3C(O)CH3
  906951.1633  0.0744 -4.7863 3 1356.4564D04  595161404811566 2    801565 2      C-13-H3C(O)CH3
  906951.1633  0.0744 -4.7863 3 1356.4564D04  595161404811666 2    801665 2      C-13-H3C(O)CH3
  906951.1633  0.0744 -5.1618 3 1356.4564D04  595161404811666 2    801565 2      C-13-H3C(O)CH3
  906960.1804  1.0546 -5.4732 3 1259.8672A96  595161404684127 0    674226 0      C-13-H3C(O)CH3
  906983.6036  0.0682 -5.0854 3 1356.4661652  595161404811666 3    801565 3      C-13-H3C(O)CH3
  906983.6036  0.0682 -5.4674 3 1356.4661652  595161404811666 3    801665 3      C-13-H3C(O)CH3
  906983.6036  0.0682 -5.0854 3 1356.4661652  595161404811566 3    801665 3      C-13-H3C(O)CH3
  906983.6036  0.0682 -5.4674 3 1356.4661652  595161404811566 3    801565 3      C-13-H3C(O)CH3
  906983.6536  0.0682 -5.6210 3 1356.4661652  595161404811666 4    801665 4      C-13-H3C(O)CH3
  906983.6536  0.0682 -5.0348 3 1356.4661652  595161404811666 4    801565 4      C-13-H3C(O)CH3
  906983.6536  0.0682 -5.0348 3 1356.4661652  595161404811566 4    801665 4      C-13-H3C(O)CH3
  906983.6536  0.0682 -5.6210 3 1356.4661652  595161404811566 4    801565 4      C-13-H3C(O)CH3
  906986.6711  0.0541 -4.0946 3  646.1264792  595161404493019 0    482920 0      C-13-H3C(O)CH3
  906990.0006  0.0387 -4.5308 3  451.8354664  595161404412715 2    402416 2      C-13-H3C(O)CH3
  906990.9887  0.0960 -4.1220 3  617.9478776  595161404482919 2    472820 2      C-13-H3C(O)CH3
  907020.1193  0.0379 -4.8553 3  451.8144332  595161404412715 4    402416 4      C-13-H3C(O)CH3
  907056.3449  0.0486 -4.5360 3 1057.8695A16  595161404633429 0    623528 0      C-13-H3C(O)CH3
  907077.5651  0.0496 -4.5363 3 1057.8789A16  595161404633429 1    623528 1      C-13-H3C(O)CH3
  907083.7200  0.0084 -4.5922 3  321.4098308  595161404381326 4    371027 4      C-13-H3C(O)CH3
  907083.7200  0.0084 -5.4515 3  321.4098308  595161404381326 4    371127 4      C-13-H3C(O)CH3
  907083.7200  0.0084 -4.5923 3  321.4098308  595161404381226 4    371127 4      C-13-H3C(O)CH3
  907083.7200  0.0084 -5.4511 3  321.4098308  595161404381226 4    371027 4      C-13-H3C(O)CH3
  907084.2022  0.0080 -4.5701 3  321.4098308  595161404381326 3    371127 3      C-13-H3C(O)CH3
  907084.2022  0.0080 -4.5972 3  321.4098308  595161404381326 3    371027 3      C-13-H3C(O)CH3
  907084.2022  0.0080 -5.4165 3  321.4098308  595161404381226 3    371027 3      C-13-H3C(O)CH3
  907084.2022  0.0080 -5.6574 3  321.4098308  595161404381226 3    371127 3      C-13-H3C(O)CH3
  907091.7750  0.0570 -4.5362 3 1057.8809A16  595161404633429 2    623528 2      C-13-H3C(O)CH3
  907092.4782  0.0863 -4.5885 3 1257.2681B76  595161404732549 0    722548 0      C-13-H3C(O)CH3
  907092.4782  0.0863 -5.8003 3 1257.2681B76  595161404732449 0    722548 0      C-13-H3C(O)CH3
  907092.4782  0.0863 -4.6090 3 1257.2681B76  595161404732449 0    722448 0      C-13-H3C(O)CH3
  907107.8005  0.0880 -4.5967 3 1257.2868B76  595161404732549 1    722448 1      C-13-H3C(O)CH3
  907107.8005  0.0880 -4.5967 3 1257.2868B76  595161404732449 1    722548 1      C-13-H3C(O)CH3
  907110.3839  0.0890 -4.5830 3 1257.2881B76  595161404732449 2    722548 2      C-13-H3C(O)CH3
  907110.3839  0.0890 -4.5830 3 1257.2881B76  595161404732549 2    722448 2      C-13-H3C(O)CH3
  907111.8227  0.0564 -4.8376 3 1057.8903508  595161404633429 3    623528 3      C-13-H3C(O)CH3
  907112.6307  0.0558 -4.8376 3 1057.8903508  595161404633429 4    623528 4      C-13-H3C(O)CH3
  907125.7318  0.0744 -4.8983 3 1257.3068588  595161404732449 3    722548 3      C-13-H3C(O)CH3
  907125.7318  0.0744 -4.8983 3 1257.3068588  595161404732549 3    722448 3      C-13-H3C(O)CH3
  907125.7608  0.0744 -6.0279 3 1257.3068588  595161404732449 4    722448 4      C-13-H3C(O)CH3
  907125.7608  0.0744 -6.0279 3 1257.3068588  595161404732549 4    722548 4      C-13-H3C(O)CH3
  907125.7608  0.0744 -4.9153 3 1257.3068588  595161404732549 4    722448 4      C-13-H3C(O)CH3
  907125.7608  0.0744 -4.9153 3 1257.3068588  595161404732449 4    722548 4      C-13-H3C(O)CH3
  907212.1328  0.0078 -4.2349 3  321.4310616  595161404381226 2    371027 2      C-13-H3C(O)CH3
  907212.1328  0.0078 -4.2357 3  321.4310616  595161404381326 2    371127 2      C-13-H3C(O)CH3
  907219.9763  0.0080 -5.8721 3  321.4321616  595161404381326 1    371127 1      C-13-H3C(O)CH3
  907219.9763  0.0080 -4.2451 3  321.4321616  595161404381326 1    371027 1      C-13-H3C(O)CH3
  907219.9763  0.0080 -4.2451 3  321.4321616  595161404381226 1    371127 1      C-13-H3C(O)CH3
  907219.9763  0.0080 -5.8705 3  321.4321616  595161404381226 1    371027 1      C-13-H3C(O)CH3
  907226.2877  0.0501 -4.1229 3  617.9511776  595161404482919 1    472820 1      C-13-H3C(O)CH3
  907314.6672  0.0443 -4.8145 3  451.8143332  595161404412715 3    402416 3      C-13-H3C(O)CH3
  907338.5718  0.0114 -5.4137 3  281.2181536  595161404332113 1    321616 1      C-13-H3C(O)CH3
  907340.4529  1.4956 -5.9464 3 1458.7287B76  595161404734528 2    724627 2      C-13-H3C(O)CH3
  907347.7098  0.0070 -4.2401 3  321.4533616  595161404381326 0    371027 0      C-13-H3C(O)CH3
  907347.7098  0.0070 -4.2401 3  321.4533616  595161404381226 0    371127 0      C-13-H3C(O)CH3
  907375.1400  0.0119 -5.4147 3  281.2375536  595161404332113 0    321616 0      C-13-H3C(O)CH3
  907396.7916  0.0110 -5.7149 3  281.1938268  595161404332113 3    321616 3      C-13-H3C(O)CH3
  907397.3322  0.0111 -5.7147 3  281.1938268  595161404332113 4    321616 4      C-13-H3C(O)CH3
  907437.3884  0.0115 -5.4151 3  281.2131536  595161404332113 2    321616 2      C-13-H3C(O)CH3
  907490.5271  0.2630 -4.4756 3  938.4799952  595161404593525 2    583424 2      C-13-H3C(O)CH3
  907490.8594  0.1846 -4.4755 3  938.4793952  595161404593525 1    583424 1      C-13-H3C(O)CH3
  907535.8869  0.0539 -4.1246 3  617.9622776  595161404482919 0    472820 0      C-13-H3C(O)CH3
  907737.9145  1.1077 -5.9456 3 1458.7072B76  595161404734528 0    724627 0      C-13-H3C(O)CH3
  908010.5669  0.0890 -5.5218 3 1273.8570B92  595161404742351 0    732450 0      C-13-H3C(O)CH3
  908010.5669  0.0890 -4.6488 3 1273.8570B92  595161404742351 0    732350 0      C-13-H3C(O)CH3
  908010.5669  0.0890 -5.5218 3 1273.8570B92  595161404742451 0    732350 0      C-13-H3C(O)CH3
  908010.5669  0.0890 -4.6488 3 1273.8570B92  595161404742451 0    732450 0      C-13-H3C(O)CH3
  908022.8140  0.0537 -4.4044 3  536.7814364  595161404452619 3    442520 3      C-13-H3C(O)CH3
  908026.9735  0.0909 -4.6141 3 1273.8756B92  595161404742451 1    732450 1      C-13-H3C(O)CH3
  908026.9735  0.0909 -4.6141 3 1273.8756B92  595161404742351 1    732350 1      C-13-H3C(O)CH3
  908026.9735  0.0909 -5.9432 3 1273.8756B92  595161404742351 1    732450 1      C-13-H3C(O)CH3
  908026.9735  0.0909 -5.9432 3 1273.8756B92  595161404742451 1    732350 1      C-13-H3C(O)CH3
  908029.5537  0.0919 -4.8315 3 1273.8768B92  595161404742451 2    732350 2      C-13-H3C(O)CH3
  908029.5537  0.0919 -4.9699 3 1273.8768B92  595161404742451 2    732450 2      C-13-H3C(O)CH3
  908029.5537  0.0919 -4.8315 3 1273.8768B92  595161404742351 2    732450 2      C-13-H3C(O)CH3
  908029.5537  0.0919 -4.9699 3 1273.8768B92  595161404742351 2    732350 2      C-13-H3C(O)CH3
  908033.4093  0.0545 -4.4044 3  536.7813364  595161404452619 4    442520 4      C-13-H3C(O)CH3
  908045.5492  0.0696 -4.9267 3 1368.0733D20  595161404821468 0    811567 0      C-13-H3C(O)CH3
  908045.5492  0.0696 -4.9596 3 1368.0733D20  595161404821568 0    811567 0      C-13-H3C(O)CH3
  908045.5492  0.0696 -4.9267 3 1368.0733D20  595161404821568 0    811467 0      C-13-H3C(O)CH3
  908045.5492  0.0696 -4.9596 3 1368.0733D20  595161404821468 0    811467 0      C-13-H3C(O)CH3
  908045.9865  0.0759 -4.9009 3 1273.8955596  595161404742451 3    732450 3      C-13-H3C(O)CH3
  908045.9865  0.0759 -4.9009 3 1273.8955596  595161404742351 3    732350 3      C-13-H3C(O)CH3
  908046.0176  0.0759 -5.6605 3 1273.8955596  595161404742451 4    732350 4      C-13-H3C(O)CH3
  908046.0176  0.0759 -5.6605 3 1273.8955596  595161404742351 4    732450 4      C-13-H3C(O)CH3
  908046.0176  0.0759 -4.9771 3 1273.8955596  595161404742351 4    732350 4      C-13-H3C(O)CH3
  908046.0176  0.0759 -4.9771 3 1273.8955596  595161404742451 4    732450 4      C-13-H3C(O)CH3
  908067.2148  0.0562 -5.2107 3 1411.5995E32  59516140489 783 0    88 682 0      C-13-H3C(O)CH3
  908067.2148  0.0562 -5.2107 3 1411.5995E32  59516140489 683 0    88 782 0      C-13-H3C(O)CH3
  908067.2148  0.0562 -4.7663 3 1411.5995E32  59516140489 683 0    88 682 0      C-13-H3C(O)CH3
  908067.2148  0.0562 -4.7663 3 1411.5995E32  59516140489 783 0    88 782 0      C-13-H3C(O)CH3
  908077.0012  0.0833 -5.8657 3 1411.5688E32  59516140489 683 1    88 782 1      C-13-H3C(O)CH3
  908077.0012  0.0833 -5.8657 3 1411.5688E32  59516140489 783 1    88 682 1      C-13-H3C(O)CH3
  908077.0012  0.0833 -4.6591 3 1411.5688E32  59516140489 783 1    88 782 1      C-13-H3C(O)CH3
  908077.0012  0.0833 -4.6591 3 1411.5688E32  59516140489 683 1    88 682 1      C-13-H3C(O)CH3
  908077.0425  0.0803 -5.7723 3 1411.5687E32  59516140489 683 2    88 682 2      C-13-H3C(O)CH3
  908077.0425  0.0803 -5.7723 3 1411.5687E32  59516140489 783 2    88 782 2      C-13-H3C(O)CH3
  908077.0425  0.0803 -4.6656 3 1411.5687E32  59516140489 783 2    88 682 2      C-13-H3C(O)CH3
  908077.0425  0.0803 -4.6656 3 1411.5687E32  59516140489 683 2    88 782 2      C-13-H3C(O)CH3
  908079.3507  0.0680 -5.0588 3 1368.0804D20  595161404821568 1    811567 1      C-13-H3C(O)CH3
  908079.3507  0.0680 -4.8514 3 1368.0804D20  595161404821568 1    811467 1      C-13-H3C(O)CH3
  908079.3507  0.0680 -5.0588 3 1368.0804D20  595161404821468 1    811467 1      C-13-H3C(O)CH3
  908079.3507  0.0680 -4.8514 3 1368.0804D20  595161404821468 1    811567 1      C-13-H3C(O)CH3
  908079.9229  0.0692 -4.6466 3 1368.0804D20  595161404821568 2    811567 2      C-13-H3C(O)CH3
  908079.9229  0.0692 -4.6466 3 1368.0804D20  595161404821468 2    811467 2      C-13-H3C(O)CH3
  908086.8268  0.0475 -5.6182 3 1411.5379716  59516140489 683 4    88 682 4      C-13-H3C(O)CH3
  908086.8268  0.0475 -5.0345 3 1411.5379716  59516140489 683 4    88 782 4      C-13-H3C(O)CH3
  908086.8268  0.0475 -5.0345 3 1411.5379716  59516140489 783 4    88 682 4      C-13-H3C(O)CH3
  908086.8268  0.0475 -5.6182 3 1411.5379716  59516140489 783 4    88 782 4      C-13-H3C(O)CH3
  908086.8374  0.0475 -5.1855 3 1411.5379716  59516140489 683 3    88 682 3      C-13-H3C(O)CH3
  908086.8374  0.0475 -5.1855 3 1411.5379716  59516140489 783 3    88 782 3      C-13-H3C(O)CH3
  908086.8374  0.0475 -5.2906 3 1411.5379716  59516140489 783 3    88 682 3      C-13-H3C(O)CH3
  908086.8374  0.0475 -5.2906 3 1411.5379716  59516140489 683 3    88 782 3      C-13-H3C(O)CH3
  908113.7565  0.0664 -4.9453 3 1368.0875660  595161404821468 3    811467 3      C-13-H3C(O)CH3
  908113.7565  0.0664 -4.9453 3 1368.0875660  595161404821568 3    811567 3      C-13-H3C(O)CH3
  908113.8072  0.0664 -5.0975 3 1368.0875660  595161404821468 4    811467 4      C-13-H3C(O)CH3
  908113.8072  0.0664 -5.4663 3 1368.0875660  595161404821568 4    811467 4      C-13-H3C(O)CH3
  908113.8072  0.0664 -5.4663 3 1368.0875660  595161404821468 4    811567 4      C-13-H3C(O)CH3
  908113.8072  0.0664 -5.0975 3 1368.0875660  595161404821568 4    811567 4      C-13-H3C(O)CH3
  908136.2041  0.0095 -3.3812 3  672.1837744  5951614044644 2 0    4543 3 0      C-13-H3C(O)CH3
  908136.2041  0.0095 -3.3812 3  672.1837744  5951614044644 3 0    4543 2 0      C-13-H3C(O)CH3
  908155.4887  0.0533 -4.1037 3  536.7992728  595161404452619 2    442520 2      C-13-H3C(O)CH3
  908225.4336  0.0522 -4.5346 3 1057.8402A16  595161404633529 0    623428 0      C-13-H3C(O)CH3
  908232.6388  0.2186 -4.7764 3  938.4626476  595161404593525 4    583424 4      C-13-H3C(O)CH3
  908232.8663  0.0106 -3.3812 3  672.2367744 -5951614044644 2 1    4543 2 1      C-13-H3C(O)CH3
  908248.2304  0.2254 -4.7763 3  938.4623476  595161404593525 3    583424 3      C-13-H3C(O)CH3
  908260.2910  0.0113 -3.3811 3  672.2098744 -5951614044644 2 2    4543 2 2      C-13-H3C(O)CH3
  908269.3956  0.0169 -3.9023 3  709.0294824  595161404513318 0    503219 0      C-13-H3C(O)CH3
  908297.4431  0.0111 -3.3810 3  672.1588744 -5951614044644 3 2    4543 3 2      C-13-H3C(O)CH3
  908311.4103  0.0466 -4.5348 3 1057.8503A16  595161404633529 2    623428 2      C-13-H3C(O)CH3
  908317.0549  0.0478 -4.5349 3 1057.8478A16  595161404633529 1    623428 1      C-13-H3C(O)CH3
  908357.3713  0.0166 -3.6821 3  672.2627372  5951614044644 2 4    4543 2 4      C-13-H3C(O)CH3
  908364.9464  0.0105 -3.3810 3  672.1800744 -5951614044644 3 1    4543 3 1      C-13-H3C(O)CH3
  908370.3626  0.0253 -4.1037 3  536.8035728  595161404452619 1    442520 1      C-13-H3C(O)CH3
  908393.9929  0.0167 -3.6820 3  672.2117372  5951614044644 2 3    4543 2 3      C-13-H3C(O)CH3
  908404.1472  0.0388 -4.8361 3 1057.8580508  595161404633529 4    623428 4      C-13-H3C(O)CH3
  908404.6738  0.0389 -4.8361 3 1057.8579508  595161404633529 3    623428 3      C-13-H3C(O)CH3
  908487.4303  0.0884 -4.4342 3  590.3332380  595161404472819 3    462720 3      C-13-H3C(O)CH3
  908488.8008  0.0169 -3.6819 3  672.2060372  5951614044644 3 3    4543 3 3      C-13-H3C(O)CH3
  908498.4239  0.0287 -4.1041 3  536.8213728  595161404452619 0    442520 0      C-13-H3C(O)CH3
  908508.5950  0.0873 -4.4344 3  590.3329380  595161404472819 4    462720 4      C-13-H3C(O)CH3
  908517.9114  0.0177 -4.2039 3  709.0469412  595161404513318 3    503219 3      C-13-H3C(O)CH3
  908525.5271  0.0175 -3.6818 3  672.1551372  5951614044644 3 4    4543 3 4      C-13-H3C(O)CH3
  908534.6535  0.0289 -3.9290 3  709.0348824  595161404513318 1    503219 1      C-13-H3C(O)CH3
  908650.7936  0.0194 -5.5415 3  307.1180268  5951614043327 7 4    3224 8 4      C-13-H3C(O)CH3
  908658.9879  0.0404 -3.9477 3  709.0365824  595161404513318 2    503219 2      C-13-H3C(O)CH3
  908715.7246  0.0175 -5.5385 3  307.1154268  5951614043327 7 3    3224 8 3      C-13-H3C(O)CH3
  908780.8645  0.0877 -4.1345 3  590.3467760  595161404472819 2    462720 2      C-13-H3C(O)CH3
  908892.4979  0.0161 -5.2407 3  307.1395536  5951614043327 7 1    3224 8 1      C-13-H3C(O)CH3
  908968.9985  0.0911 -4.9363 3 1289.8851C08  595161404752253 0    742252 0      C-13-H3C(O)CH3
  908968.9985  0.0911 -4.8802 3 1289.8851C08  595161404752253 0    742352 0      C-13-H3C(O)CH3
  908968.9985  0.0911 -4.8802 3 1289.8851C08  595161404752353 0    742252 0      C-13-H3C(O)CH3
  908968.9985  0.0911 -4.9363 3 1289.8851C08  595161404752353 0    742352 0      C-13-H3C(O)CH3
  908986.7763  0.0931 -4.6119 3 1289.9035C08  595161404752253 1    742252 1      C-13-H3C(O)CH3
  908986.7763  0.0931 -4.6119 3 1289.9035C08  595161404752353 1    742352 1      C-13-H3C(O)CH3
  908989.3085  0.0942 -4.6406 3 1289.9046C08  595161404752253 2    742352 2      C-13-H3C(O)CH3
  908989.3085  0.0942 -5.7265 3 1289.9046C08  595161404752253 2    742252 2      C-13-H3C(O)CH3
  908989.3085  0.0942 -5.3990 3 1289.9046C08  595161404752353 2    742352 2      C-13-H3C(O)CH3
  908989.3085  0.0942 -4.6827 3 1289.9046C08  595161404752353 2    742252 2      C-13-H3C(O)CH3
  909007.1136  0.0769 -4.9092 3 1289.9231604  595161404752353 3    742352 3      C-13-H3C(O)CH3
  909007.1136  0.0769 -4.9092 3 1289.9231604  595161404752253 3    742252 3      C-13-H3C(O)CH3
  909007.1468  0.0770 -5.4257 3 1289.9231604  595161404752353 4    742352 4      C-13-H3C(O)CH3
  909007.1468  0.0770 -5.0643 3 1289.9231604  595161404752253 4    742352 4      C-13-H3C(O)CH3
  909007.1468  0.0770 -5.0643 3 1289.9231604  595161404752353 4    742252 4      C-13-H3C(O)CH3
  909007.1468  0.0770 -5.4257 3 1289.9231604  595161404752253 4    742252 4      C-13-H3C(O)CH3
  909043.0110  0.0433 -4.1351 3  590.3506760  595161404472819 1    462720 1      C-13-H3C(O)CH3
  909127.3069  0.0833 -4.3524 3  674.8645404  595161404503119 3    493020 3      C-13-H3C(O)CH3
  909127.7207  0.0177 -5.5406 3  307.1075268  5951614043327 6 3    3224 9 3      C-13-H3C(O)CH3
  909135.8320  0.0157 -5.2441 3  307.1493536  5951614043327 6 2    3224 8 2      C-13-H3C(O)CH3
  909173.3910  0.0064 -4.0856 3  388.9416648  595161404401723 0    391624 0      C-13-H3C(O)CH3
  909173.4248  0.0064 -4.0856 3  388.9416648  595161404401823 0    391524 0      C-13-H3C(O)CH3
  909183.9925  0.0077 -4.0854 3  388.9127648  595161404401723 2    391624 2      C-13-H3C(O)CH3
  909184.0297  0.0077 -4.0854 3  388.9127648  595161404401823 2    391524 2      C-13-H3C(O)CH3
  909187.5330  0.0648 -5.3567 3 1379.1639D36  595161404831470 0    821469 0      C-13-H3C(O)CH3
  909187.5330  0.0648 -4.7442 3 1379.1639D36  595161404831370 0    821469 0      C-13-H3C(O)CH3
  909187.5330  0.0648 -4.7442 3 1379.1639D36  595161404831470 0    821369 0      C-13-H3C(O)CH3
  909187.5330  0.0648 -5.3567 3 1379.1639D36  595161404831370 0    821369 0      C-13-H3C(O)CH3
  909190.5483  0.0196 -5.5375 3  307.1049268  5951614043327 6 4    3224 9 4      C-13-H3C(O)CH3
  909195.6250  0.0073 -4.0854 3  388.9146648  595161404401723 1    391624 1      C-13-H3C(O)CH3
  909195.6605  0.0073 -4.0854 3  388.9146648  595161404401823 1    391524 1      C-13-H3C(O)CH3
  909196.8724  0.0159 -5.2410 3  307.1467536  5951614043327 7 2    3224 9 2      C-13-H3C(O)CH3
  909206.1330  0.0084 -4.3862 3  388.8855324  595161404401723 4    391624 4      C-13-H3C(O)CH3
  909206.1719  0.0084 -4.3862 3  388.8855324  595161404401823 4    391524 4      C-13-H3C(O)CH3
  909206.3036  0.0084 -4.3862 3  388.8855324  595161404401723 3    391624 3      C-13-H3C(O)CH3
  909206.3427  0.0084 -4.3862 3  388.8855324  595161404401823 3    391524 3      C-13-H3C(O)CH3
  909208.3045  0.0105 -4.7069 3  283.3691300  595161404371028 4    36 829 4      C-13-H3C(O)CH3
  909208.3045  0.0105 -4.7069 3  283.3691300  59516140437 928 4    36 729 4      C-13-H3C(O)CH3
  909208.8797  0.0096 -5.2882 3  283.3691300  59516140437 928 3    36 829 3      C-13-H3C(O)CH3
  909208.8797  0.0096 -5.2882 3  283.3691300  595161404371028 3    36 729 3      C-13-H3C(O)CH3
  909208.8797  0.0096 -4.8379 3  283.3691300  59516140437 928 3    36 729 3      C-13-H3C(O)CH3
  909208.8797  0.0096 -4.8379 3  283.3691300  595161404371028 3    36 829 3      C-13-H3C(O)CH3
  909222.2565  0.0648 -5.5083 3 1379.1678D36  595161404831470 1    821469 1      C-13-H3C(O)CH3
  909222.2565  0.0648 -4.7140 3 1379.1678D36  595161404831470 1    821369 1      C-13-H3C(O)CH3
  909222.2565  0.0648 -4.7140 3 1379.1678D36  595161404831370 1    821469 1      C-13-H3C(O)CH3
  909222.2565  0.0648 -5.5083 3 1379.1678D36  595161404831370 1    821369 1      C-13-H3C(O)CH3
  909222.5619  0.0648 -4.6541 3 1379.1677D36  595161404831470 2    821369 2      C-13-H3C(O)CH3
  909222.5619  0.0648 -4.6541 3 1379.1677D36  595161404831370 2    821469 2      C-13-H3C(O)CH3
  909233.0710  0.0733 -4.3549 3  674.8632404  595161404503119 4    493020 4      C-13-H3C(O)CH3
  909257.3159  0.0645 -5.0235 3 1379.1716668  595161404831370 3    821369 3      C-13-H3C(O)CH3
  909257.3159  0.0645 -5.7604 3 1379.1716668  595161404831370 3    821469 3      C-13-H3C(O)CH3
  909257.3159  0.0645 -5.7604 3 1379.1716668  595161404831470 3    821369 3      C-13-H3C(O)CH3
  909257.3159  0.0645 -5.0235 3 1379.1716668  595161404831470 3    821469 3      C-13-H3C(O)CH3
  909257.3665  0.0645 -4.9636 3 1379.1716668  595161404831470 4    821469 4      C-13-H3C(O)CH3
  909257.3665  0.0645 -4.9636 3 1379.1716668  595161404831370 4    821369 4      C-13-H3C(O)CH3
  909284.7035  0.1306 -5.1561 3  714.2785412  595161404513418 4    503317 4      C-13-H3C(O)CH3
  909290.6086  0.0853 -4.3318 3  709.0373412  595161404513318 4    503219 4      C-13-H3C(O)CH3
  909317.7074  0.0507 -4.7512 3 1418.3977E48  59516140490 585 0    89 584 0      C-13-H3C(O)CH3
  909317.7074  0.0507 -5.2612 3 1418.3977E48  59516140490 685 0    89 584 0      C-13-H3C(O)CH3
  909317.7074  0.0507 -5.2612 3 1418.3977E48  59516140490 585 0    89 684 0      C-13-H3C(O)CH3
  909317.7074  0.0507 -4.7512 3 1418.3977E48  59516140490 685 0    89 684 0      C-13-H3C(O)CH3
  909318.2527  0.0735 -5.7434 3 1418.3640E48  59516140490 585 1    89 584 1      C-13-H3C(O)CH3
  909318.2527  0.0735 -4.6693 3 1418.3640E48  59516140490 585 1    89 684 1      C-13-H3C(O)CH3
  909318.2527  0.0735 -4.6693 3 1418.3640E48  59516140490 685 1    89 584 1      C-13-H3C(O)CH3
  909318.2527  0.0735 -5.7434 3 1418.3640E48  59516140490 685 1    89 684 1      C-13-H3C(O)CH3
  909318.3747  0.0719 -5.4423 3 1418.3639E48  59516140490 685 2    89 684 2      C-13-H3C(O)CH3
  909318.3747  0.0719 -4.7076 3 1418.3639E48  59516140490 585 2    89 684 2      C-13-H3C(O)CH3
  909318.3747  0.0719 -5.4423 3 1418.3639E48  59516140490 585 2    89 584 2      C-13-H3C(O)CH3
  909318.3747  0.0719 -4.7076 3 1418.3639E48  59516140490 685 2    89 584 2      C-13-H3C(O)CH3
  909318.9018  0.0422 -4.9463 3 1418.3302724  59516140490 685 4    89 584 4      C-13-H3C(O)CH3
  909318.9018  0.0422 -4.9463 3 1418.3302724  59516140490 585 4    89 684 4      C-13-H3C(O)CH3
  909318.9300  0.0421 -5.8254 3 1418.3303724  59516140490 585 3    89 584 3      C-13-H3C(O)CH3
  909318.9300  0.0421 -4.9950 3 1418.3303724  59516140490 585 3    89 684 3      C-13-H3C(O)CH3
  909318.9300  0.0421 -4.9950 3 1418.3303724  59516140490 685 3    89 584 3      C-13-H3C(O)CH3
  909318.9300  0.0421 -5.8254 3 1418.3303724  59516140490 685 3    89 684 3      C-13-H3C(O)CH3
  909328.9219  0.0482 -4.1363 3  590.3643760  595161404472819 0    462720 0      C-13-H3C(O)CH3
  909355.2024  0.0779 -4.0544 3  674.8682808  595161404503119 2    493020 2      C-13-H3C(O)CH3
  909365.1043  0.0161 -5.2397 3  307.1290536  5951614043327 6 1    3224 9 1      C-13-H3C(O)CH3
  909374.0494  0.0160 -5.2432 3  307.1707536  5951614043327 7 0    3224 8 0      C-13-H3C(O)CH3
  909381.3549  0.0160 -5.2432 3  307.1705536  5951614043327 6 0    3224 9 0      C-13-H3C(O)CH3
  909461.8778  0.0471 -4.0551 3  674.8698808  595161404503119 1    493020 1      C-13-H3C(O)CH3
  909492.1206  0.0085 -4.5987 3  283.3782600  595161404371028 2    36 829 2      C-13-H3C(O)CH3
  909492.1206  0.0085 -4.5987 3  283.3782600  59516140437 928 2    36 729 2      C-13-H3C(O)CH3
  909492.1206  0.0085 -4.8481 3  283.3782600  595161404371028 2    36 729 2      C-13-H3C(O)CH3
  909492.1206  0.0085 -4.8481 3  283.3782600  59516140437 928 2    36 829 2      C-13-H3C(O)CH3
  909498.2441  0.0088 -4.8358 3  283.3790600  595161404371028 1    36 829 1      C-13-H3C(O)CH3
  909498.2441  0.0088 -4.6059 3  283.3790600  595161404371028 1    36 729 1      C-13-H3C(O)CH3
  909498.2441  0.0088 -4.6059 3  283.3790600  59516140437 928 1    36 829 1      C-13-H3C(O)CH3
  909498.2441  0.0088 -4.8358 3  283.3790600  59516140437 928 1    36 729 1      C-13-H3C(O)CH3
  909531.5228  0.0719 -4.4266 3  563.2839372  595161404462719 3    452620 3      C-13-H3C(O)CH3
  909546.2149  0.0724 -4.4267 3  563.2838372  595161404462719 4    452620 4      C-13-H3C(O)CH3
  909643.9362  0.0485 -4.0569 3  674.8741808  595161404503119 0    493020 0      C-13-H3C(O)CH3
  909754.1289  0.0718 -4.1263 3  563.2998744  595161404462719 2    452620 2      C-13-H3C(O)CH3
  909780.9858  0.0082 -4.4385 3  283.3881600  595161404371028 0    36 729 0      C-13-H3C(O)CH3
  909780.9858  0.0082 -4.4385 3  283.3881600  59516140437 928 0    36 829 0      C-13-H3C(O)CH3
  909780.9858  0.0082 -5.5265 3  283.3881600  59516140437 928 0    36 729 0      C-13-H3C(O)CH3
  909780.9858  0.0082 -5.5265 3  283.3881600  595161404371028 0    36 829 0      C-13-H3C(O)CH3
  909796.8582  0.0227 -4.1294 3  515.3104712  595161404442718 0    432419 0      C-13-H3C(O)CH3
  909960.7262  0.0925 -5.1463 3 1305.3571C24  595161404762155 0    752254 0      C-13-H3C(O)CH3
  909960.7262  0.0925 -5.1463 3 1305.3571C24  595161404762255 0    752154 0      C-13-H3C(O)CH3
  909960.7262  0.0925 -4.7709 3 1305.3571C24  595161404762255 0    752254 0      C-13-H3C(O)CH3
  909960.7262  0.0925 -4.7709 3 1305.3571C24  595161404762155 0    752154 0      C-13-H3C(O)CH3
  909970.0718  0.0463 -5.8138 3  451.8354664  595161404412714 2    402416 2      C-13-H3C(O)CH3
  909980.1255  0.0944 -5.5065 3 1305.3752C24  595161404762255 1    752254 1      C-13-H3C(O)CH3
  909980.1255  0.0944 -4.6784 3 1305.3752C24  595161404762255 1    752154 1      C-13-H3C(O)CH3
  909980.1255  0.0944 -5.5065 3 1305.3752C24  595161404762155 1    752154 1      C-13-H3C(O)CH3
  909980.1255  0.0944 -4.6784 3 1305.3752C24  595161404762155 1    752254 1      C-13-H3C(O)CH3
  909982.5614  0.0957 -4.6196 3 1305.3762C24  595161404762255 2    752254 2      C-13-H3C(O)CH3
  909982.5614  0.0957 -4.6196 3 1305.3762C24  595161404762155 2    752154 2      C-13-H3C(O)CH3
  910001.9891  0.0776 -5.4168 3 1305.3943612  595161404762255 3    752254 3      C-13-H3C(O)CH3
  910001.9891  0.0776 -5.4168 3 1305.3943612  595161404762155 3    752154 3      C-13-H3C(O)CH3
  910001.9891  0.0776 -5.0856 3 1305.3943612  595161404762255 3    752154 3      C-13-H3C(O)CH3
  910001.9891  0.0776 -5.0856 3 1305.3943612  595161404762155 3    752254 3      C-13-H3C(O)CH3
  910002.0246  0.0776 -5.2012 3 1305.3944612  595161404762155 4    752154 4      C-13-H3C(O)CH3
  910002.0246  0.0776 -5.2404 3 1305.3944612  595161404762255 4    752154 4      C-13-H3C(O)CH3
  910002.0246  0.0776 -5.2012 3 1305.3944612  595161404762255 4    752254 4      C-13-H3C(O)CH3
  910002.0246  0.0776 -5.2404 3 1305.3944612  595161404762155 4    752254 4      C-13-H3C(O)CH3
  910007.8391  0.0342 -4.1266 3  563.3040744 -595161404462719 1    452620 1      C-13-H3C(O)CH3
  910016.6267  0.0204 -4.1298 3  515.2896712  595161404442718 1    432419 1      C-13-H3C(O)CH3
  910027.0344  0.0062 -3.4350 3  676.8938760  5951614044742 5 0    4641 5 0      C-13-H3C(O)CH3
  910027.0344  0.0062 -3.4350 3  676.8938760  5951614044742 6 0    4641 6 0      C-13-H3C(O)CH3
  910088.1301  0.0076 -3.4349 3  676.9087760 -5951614044742 5 2    4641 5 2      C-13-H3C(O)CH3
  910117.2107  0.0072 -3.4349 3  676.9275760 -5951614044742 5 1    4641 5 1      C-13-H3C(O)CH3
  910131.4837  0.0071 -3.4349 3  676.8827760 -5951614044742 6 2    4641 6 2      C-13-H3C(O)CH3
  910141.2855  0.0926 -4.4438 3  714.2487824  595161404513418 2    503317 2      C-13-H3C(O)CH3
  910177.0430  0.0205 -4.1308 3  515.2815712  595161404442718 2    432419 2      C-13-H3C(O)CH3
  910178.1052  0.0114 -3.7359 3  676.9422380  5951614044742 5 4    4641 5 4      C-13-H3C(O)CH3
  910203.0251  0.0070 -3.4348 3  676.8837760 -5951614044742 6 1    4641 6 1      C-13-H3C(O)CH3
  910221.0993  0.0106 -3.7359 3  676.9164380  5951614044742 5 3    4641 5 3      C-13-H3C(O)CH3
  910224.4034  0.0390 -4.1272 3  563.3198744  595161404462719 0    452620 0      C-13-H3C(O)CH3
  910263.3855  0.0108 -3.7358 3  676.8986380  5951614044742 6 3    4641 6 3      C-13-H3C(O)CH3
  910307.0151  0.0106 -3.7358 3  676.8726380  5951614044742 6 4    4641 6 4      C-13-H3C(O)CH3
  910343.4677  0.0608 -4.6602 3 1389.7197D52  595161404841372 0    831271 0      C-13-H3C(O)CH3
  910343.4677  0.0608 -4.6602 3 1389.7197D52  595161404841272 0    831371 0      C-13-H3C(O)CH3
  910352.8736  0.0534 -5.8087 3  451.8144332  595161404412714 4    402416 4      C-13-H3C(O)CH3
  910378.4511  0.0642 -4.6563 3 1389.7199D52  595161404841272 1    831371 1      C-13-H3C(O)CH3
  910378.4511  0.0642 -4.6563 3 1389.7199D52  595161404841372 1    831271 1      C-13-H3C(O)CH3
  910378.5292  0.0625 -4.6565 3 1389.7197D52  595161404841372 2    831271 2      C-13-H3C(O)CH3
  910378.5292  0.0625 -4.6565 3 1389.7197D52  595161404841272 2    831371 2      C-13-H3C(O)CH3
  910380.9931  0.0147 -4.4323 3  515.2606356  595161404442718 4    432419 4      C-13-H3C(O)CH3
  910392.6133  0.0632 -4.2823 3  714.2376824  595161404513418 1    503317 1      C-13-H3C(O)CH3
  910408.3792  0.0245 -6.0163 3  734.8013840  595161404523319 1    513219 1      C-13-H3C(O)CH3
  910412.2929  0.0158 -4.4321 3  515.2605356  595161404442718 3    432419 3      C-13-H3C(O)CH3
  910413.5405  0.0628 -5.8002 3 1389.7199676  595161404841372 3    831371 3      C-13-H3C(O)CH3
  910413.5405  0.0628 -5.0246 3 1389.7199676  595161404841272 3    831371 3      C-13-H3C(O)CH3
  910413.5405  0.0628 -5.8002 3 1389.7199676  595161404841272 3    831271 3      C-13-H3C(O)CH3
  910413.5405  0.0628 -5.0246 3 1389.7199676  595161404841372 3    831271 3      C-13-H3C(O)CH3
  910413.5900  0.0628 -5.2329 3 1389.7199676  595161404841272 4    831371 4      C-13-H3C(O)CH3
  910413.5900  0.0628 -5.2329 3 1389.7199676  595161404841372 4    831271 4      C-13-H3C(O)CH3
  910413.5900  0.0628 -5.2853 3 1389.7199676  595161404841272 4    831271 4      C-13-H3C(O)CH3
  910413.5900  0.0628 -5.2853 3 1389.7199676  595161404841372 4    831371 4      C-13-H3C(O)CH3
  910431.1372  0.0229 -5.3830 3  370.1764300  595161404372612 4    362314 4      C-13-H3C(O)CH3
  910441.2970  0.0159 -5.3963 3  244.6727292  59516140436 630 4    35 531 4      C-13-H3C(O)CH3
  910441.2970  0.0159 -5.2112 3  244.6727292  59516140436 630 4    35 431 4      C-13-H3C(O)CH3
  910441.2970  0.0159 -5.2112 3  244.6727292  59516140436 730 4    35 531 4      C-13-H3C(O)CH3
  910441.2970  0.0159 -5.3963 3  244.6727292  59516140436 730 4    35 431 4      C-13-H3C(O)CH3
  910441.6843  0.0143 -5.3716 3  244.6727292  59516140436 630 3    35 531 3      C-13-H3C(O)CH3
  910441.6843  0.0143 -5.2281 3  244.6727292  59516140436 730 3    35 531 3      C-13-H3C(O)CH3
  910441.6843  0.0143 -5.3716 3  244.6727292  59516140436 730 3    35 431 3      C-13-H3C(O)CH3
  910441.6843  0.0143 -5.2281 3  244.6727292  59516140436 630 3    35 431 3      C-13-H3C(O)CH3
  910480.4932  0.0156 -5.2723 3  370.1985600  595161404372612 1    362314 1      C-13-H3C(O)CH3
  910496.8726  0.0301 -5.8001 3  734.7996840  595161404523319 2    513219 2      C-13-H3C(O)CH3
  910563.2296  0.0348 -4.9585 3 1424.5977732  59516140491 587 4    90 586 4      C-13-H3C(O)CH3
  910563.2296  0.0348 -4.9585 3 1424.5977732  59516140491 487 4    90 486 4      C-13-H3C(O)CH3
  910563.2694  0.0348 -5.4290 3 1424.5977732  59516140491 487 3    90 486 3      C-13-H3C(O)CH3
  910563.2694  0.0348 -5.4290 3 1424.5977732  59516140491 587 3    90 586 3      C-13-H3C(O)CH3
  910563.2694  0.0348 -5.1038 3 1424.5977732  59516140491 587 3    90 486 3      C-13-H3C(O)CH3
  910563.2694  0.0348 -5.1038 3 1424.5977732  59516140491 487 3    90 586 3      C-13-H3C(O)CH3
  910572.2962  0.0563 -5.2722 3 1424.6312E64  59516140491 587 1    90 586 1      C-13-H3C(O)CH3
  910572.2962  0.0563 -4.7484 3 1424.6312E64  59516140491 587 1    90 486 1      C-13-H3C(O)CH3
  910572.2962  0.0563 -4.7484 3 1424.6312E64  59516140491 487 1    90 586 1      C-13-H3C(O)CH3
  910572.2962  0.0563 -5.2722 3 1424.6312E64  59516140491 487 1    90 486 1      C-13-H3C(O)CH3
  910572.4197  0.0563 -5.6884 3 1424.6311E64  59516140491 487 2    90 486 2      C-13-H3C(O)CH3
  910572.4197  0.0563 -4.6748 3 1424.6311E64  59516140491 487 2    90 586 2      C-13-H3C(O)CH3
  910572.4197  0.0563 -4.6748 3 1424.6311E64  59516140491 587 2    90 486 2      C-13-H3C(O)CH3
  910572.4197  0.0563 -5.6884 3 1424.6311E64  59516140491 587 2    90 586 2      C-13-H3C(O)CH3
  910581.4572  0.0407 -5.1251 3 1424.6646E64  59516140491 587 0    90 586 0      C-13-H3C(O)CH3
  910581.4572  0.0407 -4.8043 3 1424.6646E64  59516140491 487 0    90 586 0      C-13-H3C(O)CH3
  910581.4572  0.0407 -5.1251 3 1424.6646E64  59516140491 487 0    90 486 0      C-13-H3C(O)CH3
  910581.4572  0.0407 -4.8043 3 1424.6646E64  59516140491 587 0    90 486 0      C-13-H3C(O)CH3
  910648.5147  0.0202 -5.1101 3  370.1976600  595161404372612 2    362314 2      C-13-H3C(O)CH3
  910702.7738  0.0249 -5.4760 3  370.1767300  595161404372612 3    362314 3      C-13-H3C(O)CH3
  910743.7855  0.0259 -6.0231 3  281.7607252  5951614043128 4 4    3025 5 4      C-13-H3C(O)CH3
  910778.8945  0.0135 -4.7536 3  370.2194600  595161404372611 0    362314 0      C-13-H3C(O)CH3
  910790.9116  0.0114 -3.8297 3  714.2167824 -595161404513418 0    503317 0      C-13-H3C(O)CH3
  910794.4574  0.0185 -4.9082 3  370.1985600  595161404372611 1    362314 1      C-13-H3C(O)CH3
  910808.4495  0.0348 -5.6035 3  734.7998420  595161404523319 4    513219 4      C-13-H3C(O)CH3
  910951.7836  0.0122 -4.7015 3  244.6591584  59516140436 630 2    35 431 2      C-13-H3C(O)CH3
  910951.7836  0.0122 -4.7015 3  244.6591584  59516140436 730 2    35 531 2      C-13-H3C(O)CH3
  910955.8686  0.0134 -4.6979 3  244.6597584  59516140436 630 1    35 431 1      C-13-H3C(O)CH3
  910955.8686  0.0134 -4.6979 3  244.6597584  59516140436 730 1    35 531 1      C-13-H3C(O)CH3
  910980.4614  0.0929 -4.6300 3 1320.2770C40  595161404772157 0    762156 0      C-13-H3C(O)CH3
  910980.4614  0.0929 -4.6300 3 1320.2770C40  595161404772057 0    762056 0      C-13-H3C(O)CH3
  911001.6929  0.0947 -4.6445 3 1320.2946C40  595161404772057 1    762056 1      C-13-H3C(O)CH3
  911001.6929  0.0947 -4.6445 3 1320.2946C40  595161404772157 1    762156 1      C-13-H3C(O)CH3
  911003.9834  0.0962 -4.6493 3 1320.2955C40  595161404772057 2    762156 2      C-13-H3C(O)CH3
  911003.9834  0.0962 -4.6493 3 1320.2955C40  595161404772157 2    762056 2      C-13-H3C(O)CH3
  911003.9834  0.0962 -5.9880 3 1320.2955C40  595161404772057 2    762056 2      C-13-H3C(O)CH3
  911003.9834  0.0962 -5.9880 3 1320.2955C40  595161404772157 2    762156 2      C-13-H3C(O)CH3
  911025.2442  0.0778 -4.9324 3 1320.3131620  595161404772057 3    762056 3      C-13-H3C(O)CH3
  911025.2442  0.0778 -4.9324 3 1320.3131620  595161404772157 3    762156 3      C-13-H3C(O)CH3
  911025.2820  0.0778 -4.9479 3 1320.3131620  595161404772057 4    762056 4      C-13-H3C(O)CH3
  911025.2820  0.0778 -4.9479 3 1320.3131620  595161404772157 4    762156 4      C-13-H3C(O)CH3
  911040.6303  0.0262 -5.6201 3  205.3553284  59516140435 432 3    34 233 3      C-13-H3C(O)CH3
  911040.6303  0.0262 -5.6201 3  205.3553284  59516140435 332 3    34 133 3      C-13-H3C(O)CH3
  911041.1395  0.0281 -5.5985 3  205.3554284  59516140435 432 4    34 233 4      C-13-H3C(O)CH3
  911041.1395  0.0281 -5.5985 3  205.3554284  59516140435 332 4    34 133 4      C-13-H3C(O)CH3
  911079.1554  0.0235 -6.0197 3  281.7458252  5951614043128 4 3    3025 6 3      C-13-H3C(O)CH3
  911086.4393  0.0525 -4.2084 3  714.2503412  595161404513418 3    503317 3      C-13-H3C(O)CH3
  911126.2837  0.0102 -5.7781 3  239.3341504  595161404311814 2    301317 2      C-13-H3C(O)CH3
  911137.0246  0.0284 -5.2593 3  370.1767300  595161404372611 3    362314 3      C-13-H3C(O)CH3
  911208.7658  0.0102 -5.7771 3  239.3371504  595161404311814 1    301317 1      C-13-H3C(O)CH3
  911255.2764  0.0098 -5.7778 3  239.3523504  595161404311814 0    301317 0      C-13-H3C(O)CH3
  911255.7972  0.0205 -5.1227 3  337.5797584  595161404362214 2    351917 2      C-13-H3C(O)CH3
  911283.5247  0.0220 -5.7234 3  281.7889504  5951614043128 4 1    3025 5 1      C-13-H3C(O)CH3
  911297.9214  0.0207 -5.7258 3  281.8064504  5951614043128 3 2    3025 5 2      C-13-H3C(O)CH3
  911319.0392  0.0142 -5.6683 3  257.8547520  595161404321814 2    311517 2      C-13-H3C(O)CH3
  911363.0348  0.0268 -5.0059 3  370.1976600  595161404372611 2    362314 2      C-13-H3C(O)CH3
  911399.6920  0.0161 -5.1254 3  337.6075584  595161404362214 0    351917 0      C-13-H3C(O)CH3
  911420.2197  0.0175 -5.9684 3  257.8369260  595161404321814 3    311517 3      C-13-H3C(O)CH3
  911427.4611  0.0322 -5.3275 3  370.1764300  595161404372611 4    362314 4      C-13-H3C(O)CH3
  911429.0631  0.0171 -5.9684 3  257.8369260  595161404321814 4    311517 4      C-13-H3C(O)CH3
  911429.3046  0.0232 -5.4236 3  337.5569292  595161404362214 4    351917 4      C-13-H3C(O)CH3
  911439.7549  0.0236 -5.4237 3  337.5569292  595161404362214 3    351917 3      C-13-H3C(O)CH3
  911455.4591  0.0239 -6.0227 3  281.7509252  5951614043128 3 3    3025 5 3      C-13-H3C(O)CH3
  911464.9564  0.0116 -6.0125 3  244.6461584  59516140436 730 0    35 431 0      C-13-H3C(O)CH3
  911464.9564  0.0116 -4.7117 3  244.6461584  59516140436 630 0    35 431 0      C-13-H3C(O)CH3
  911464.9564  0.0116 -4.7117 3  244.6461584  59516140436 730 0    35 531 0      C-13-H3C(O)CH3
  911464.9564  0.0116 -6.0125 3  244.6461584  59516140436 630 0    35 531 0      C-13-H3C(O)CH3
  911489.2995  0.0121 -5.6686 3  257.8758520  595161404321814 0    311517 0      C-13-H3C(O)CH3
  911513.1960  0.0582 -4.7764 3 1399.7422D68  595161404851274 0    841273 0      C-13-H3C(O)CH3
  911513.1960  0.0582 -5.2993 3 1399.7422D68  595161404851274 0    841173 0      C-13-H3C(O)CH3
  911513.1960  0.0582 -5.2993 3 1399.7422D68  595161404851174 0    841273 0      C-13-H3C(O)CH3
  911513.1960  0.0582 -4.7764 3 1399.7422D68  595161404851174 0    841173 0      C-13-H3C(O)CH3
  911547.4683  0.0637 -5.8455 3 1399.7379D68  595161404851274 2    841273 2      C-13-H3C(O)CH3
  911547.4683  0.0637 -5.8455 3 1399.7379D68  595161404851174 2    841173 2      C-13-H3C(O)CH3
  911547.4683  0.0637 -4.6919 3 1399.7379D68  595161404851174 2    841273 2      C-13-H3C(O)CH3
  911547.4683  0.0637 -4.6919 3 1399.7379D68  595161404851274 2    841173 2      C-13-H3C(O)CH3
  911547.5612  0.0671 -5.4842 3 1399.7381D68  595161404851274 1    841173 1      C-13-H3C(O)CH3
  911547.5612  0.0671 -4.7334 3 1399.7381D68  595161404851274 1    841273 1      C-13-H3C(O)CH3
  911547.5612  0.0671 -4.7334 3 1399.7381D68  595161404851174 1    841173 1      C-13-H3C(O)CH3
  911547.5612  0.0671 -5.4842 3 1399.7381D68  595161404851174 1    841273 1      C-13-H3C(O)CH3
  911575.7204  0.0175 -5.1254 3  337.5847584  595161404362214 1    351917 1      C-13-H3C(O)CH3
  911581.8579  0.0612 -4.9705 3 1399.7337684  595161404851174 3    841173 3      C-13-H3C(O)CH3
  911581.8579  0.0612 -4.9705 3 1399.7337684  595161404851274 3    841273 3      C-13-H3C(O)CH3
  911581.9048  0.0612 -5.7156 3 1399.7337684  595161404851274 4    841273 4      C-13-H3C(O)CH3
  911581.9048  0.0612 -5.7156 3 1399.7337684  595161404851174 4    841173 4      C-13-H3C(O)CH3
  911581.9048  0.0612 -5.0480 3 1399.7337684  595161404851274 4    841173 4      C-13-H3C(O)CH3
  911581.9048  0.0612 -5.0480 3 1399.7337684  595161404851174 4    841273 4      C-13-H3C(O)CH3
  911591.3705  0.0144 -5.6680 3  257.8581520  595161404321814 1    311517 1      C-13-H3C(O)CH3
  911611.3985  0.0154 -4.0179 3  714.2376824  595161404513417 1    503317 1      C-13-H3C(O)CH3
  911632.3872  0.0217 -5.7224 3  281.7915504  5951614043128 4 2    3025 6 2      C-13-H3C(O)CH3
  911649.5586  0.0166 -3.9497 3  714.2487824  595161404513417 2    503317 2      C-13-H3C(O)CH3
  911687.9720  0.0058 -3.4990 3  683.2520776 -5951614044840 9 0    4739 8 0      C-13-H3C(O)CH3
  911687.9720  0.0058 -3.4990 3  683.2520776 -5951614044840 8 0    4739 9 0      C-13-H3C(O)CH3
  911703.0657  0.0073 -3.4991 3  683.2716776 -5951614044840 8 2    4739 8 2      C-13-H3C(O)CH3
  911717.7759  0.0202 -4.9093 3  714.2503412  595161404513417 3    503317 3      C-13-H3C(O)CH3
  911757.5131  0.0068 -3.4989 3  683.2763776 -5951614044840 8 1    4739 8 1      C-13-H3C(O)CH3
  911772.1620  0.0109 -3.8001 3  683.2958388  5951614044840 8 4    4739 8 4      C-13-H3C(O)CH3
  911781.1959  0.0069 -3.4990 3  683.2583776 -5951614044840 9 2    4739 9 2      C-13-H3C(O)CH3
  911788.2249  0.0261 -6.0193 3  281.7361252  5951614043128 3 4    3025 6 4      C-13-H3C(O)CH3
  911821.1072  0.0260 -5.0231 3 1430.3426740  59516140492 489 4    91 388 4      C-13-H3C(O)CH3
  911821.1072  0.0260 -5.6724 3 1430.3426740  59516140492 389 4    91 388 4      C-13-H3C(O)CH3
  911821.1072  0.0260 -5.0231 3 1430.3426740  59516140492 389 4    91 488 4      C-13-H3C(O)CH3
  911821.1072  0.0260 -5.6724 3 1430.3426740  59516140492 489 4    91 488 4      C-13-H3C(O)CH3
  911821.1437  0.0260 -5.3805 3 1430.3426740  59516140492 389 3    91 488 3      C-13-H3C(O)CH3
  911821.1437  0.0260 -5.1282 3 1430.3426740  59516140492 389 3    91 388 3      C-13-H3C(O)CH3
  911821.1437  0.0260 -5.1282 3 1430.3426740  59516140492 489 3    91 488 3      C-13-H3C(O)CH3
  911821.1437  0.0260 -5.3805 3 1430.3426740  59516140492 489 3    91 388 3      C-13-H3C(O)CH3
  911828.8250  0.0066 -3.4989 3  683.2455776 -5951614044840 9 1    4739 9 1      C-13-H3C(O)CH3
  911830.2841  0.0188 -4.1726 3  714.2785412  595161404513417 4    503317 4      C-13-H3C(O)CH3
  911838.9424  0.0344 -5.1116 3 1430.3706E80  59516140492 389 1    91 488 1      C-13-H3C(O)CH3
  911838.9424  0.0344 -4.8102 3 1430.3706E80  59516140492 389 1    91 388 1      C-13-H3C(O)CH3
  911838.9424  0.0344 -5.1116 3 1430.3706E80  59516140492 489 1    91 388 1      C-13-H3C(O)CH3
  911838.9424  0.0344 -4.8102 3 1430.3706E80  59516140492 489 1    91 488 1      C-13-H3C(O)CH3
  911838.9591  0.0366 -5.2522 3 1430.3703E80  59516140492 389 2    91 388 2      C-13-H3C(O)CH3
  911838.9591  0.0366 -5.2522 3 1430.3703E80  59516140492 489 2    91 488 2      C-13-H3C(O)CH3
  911838.9591  0.0366 -4.7541 3 1430.3703E80  59516140492 389 2    91 488 2      C-13-H3C(O)CH3
  911838.9591  0.0366 -4.7541 3 1430.3703E80  59516140492 489 2    91 388 2      C-13-H3C(O)CH3
  911841.9081  0.0217 -5.7271 3  281.8345504  5951614043128 4 0    3025 5 0      C-13-H3C(O)CH3
  911841.9168  0.0217 -5.7271 3  281.8345504  5951614043128 3 0    3025 6 0      C-13-H3C(O)CH3
  911843.4482  0.0101 -3.8000 3  683.2651388  5951614044840 9 3    4739 9 3      C-13-H3C(O)CH3
  911850.2706  0.0098 -3.8000 3  683.2826388  5951614044840 8 3    4739 8 3      C-13-H3C(O)CH3
  911856.7619  0.0275 -5.0600 3 1430.3982E80  59516140492 489 0    91 488 0      C-13-H3C(O)CH3
  911856.7619  0.0275 -4.8386 3 1430.3982E80  59516140492 389 0    91 488 0      C-13-H3C(O)CH3
  911856.7619  0.0275 -5.0600 3 1430.3982E80  59516140492 389 0    91 388 0      C-13-H3C(O)CH3
  911856.7619  0.0275 -4.8386 3 1430.3982E80  59516140492 489 0    91 388 0      C-13-H3C(O)CH3
  911873.2463  0.0319 -5.8612 3  205.3037568  59516140435 432 2    34 233 2      C-13-H3C(O)CH3
  911873.2463  0.0319 -5.4333 3  205.3037568  59516140435 332 2    34 233 2      C-13-H3C(O)CH3
  911873.2463  0.0319 -5.4333 3  205.3037568  59516140435 432 2    34 133 2      C-13-H3C(O)CH3
  911873.2463  0.0319 -5.8612 3  205.3037568  59516140435 332 2    34 133 2      C-13-H3C(O)CH3
  911874.8929  0.0337 -5.3130 3  205.3041568  59516140435 432 1    34 233 1      C-13-H3C(O)CH3
  911874.8929  0.0337 -5.3130 3  205.3041568  59516140435 332 1    34 133 1      C-13-H3C(O)CH3
  911922.0750  0.0095 -3.8000 3  683.2517388  5951614044840 9 4    4739 9 4      C-13-H3C(O)CH3
  911994.5761  0.0217 -5.7229 3  281.7791504  5951614043128 3 1    3025 6 1      C-13-H3C(O)CH3
  912024.2081  0.0925 -4.6437 3 1334.6482C56  595161404782059 0    772058 0      C-13-H3C(O)CH3
  912024.2081  0.0925 -4.6437 3 1334.6482C56  595161404781959 0    771958 0      C-13-H3C(O)CH3
  912034.8291  0.0139 -4.0170 3  714.1828824  595161404513418 1    503318 1      C-13-H3C(O)CH3
  912047.4364  0.0938 -5.5826 3 1334.6651C56  595161404782059 1    771958 1      C-13-H3C(O)CH3
  912047.4364  0.0938 -4.6939 3 1334.6651C56  595161404782059 1    772058 1      C-13-H3C(O)CH3
  912047.4364  0.0938 -4.6939 3 1334.6651C56  595161404781959 1    771958 1      C-13-H3C(O)CH3
  912047.4364  0.0938 -5.5826 3 1334.6651C56  595161404781959 1    772058 1      C-13-H3C(O)CH3
  912049.5336  0.0956 -5.7556 3 1334.6658C56  595161404781959 2    772058 2      C-13-H3C(O)CH3
  912049.5336  0.0956 -4.6758 3 1334.6658C56  595161404781959 2    771958 2      C-13-H3C(O)CH3
  912049.5336  0.0956 -4.6758 3 1334.6658C56  595161404782059 2    772058 2      C-13-H3C(O)CH3
  912049.5336  0.0956 -5.7556 3 1334.6658C56  595161404782059 2    771958 2      C-13-H3C(O)CH3
  912054.5393  0.0132 -3.9487 3  714.1849824  595161404513418 2    503318 2      C-13-H3C(O)CH3
  912072.7922  0.0776 -5.1706 3 1334.6827628  595161404781959 3    772058 3      C-13-H3C(O)CH3
  912072.7922  0.0776 -4.9473 3 1334.6827628  595161404782059 3    771958 3      C-13-H3C(O)CH3
  912072.7922  0.0776 -5.3305 3 1334.6827628  595161404782059 3    772058 3      C-13-H3C(O)CH3
  912072.8323  0.0776 -5.1415 3 1334.6827628  595161404781959 4    772058 4      C-13-H3C(O)CH3
  912072.8323  0.0776 -5.3763 3 1334.6827628  595161404782059 4    772058 4      C-13-H3C(O)CH3
  912072.8323  0.0776 -5.1415 3 1334.6827628  595161404782059 4    771958 4      C-13-H3C(O)CH3
  912072.8323  0.0776 -5.3763 3 1334.6827628  595161404781959 4    771958 4      C-13-H3C(O)CH3
  912183.9425  0.0138 -4.1712 3  714.1818412  595161404513418 4    503318 4      C-13-H3C(O)CH3
  912296.1002  0.0179 -4.9083 3  714.2100412  595161404513418 3    503318 3      C-13-H3C(O)CH3
  912354.6225  0.0206 -5.2856 3  316.8097568  595161404352114 2    341817 2      C-13-H3C(O)CH3
  912455.9103  0.0632 -4.5495 3 1154.8518A80  595161404673136 0    663235 0      C-13-H3C(O)CH3
  912455.9187  0.0632 -4.5495 3 1154.8518A80  595161404673236 0    663135 0      C-13-H3C(O)CH3
  912472.9867  0.0634 -4.5496 3 1154.8680A80  595161404673136 1    663235 1      C-13-H3C(O)CH3
  912472.9972  0.0634 -4.5496 3 1154.8680A80  595161404673236 1    663135 1      C-13-H3C(O)CH3
  912475.0844  0.0662 -4.5496 3 1154.8699A80  595161404673136 2    663235 2      C-13-H3C(O)CH3
  912475.0934  0.0662 -4.5496 3 1154.8699A80  595161404673236 2    663135 2      C-13-H3C(O)CH3
  912492.1916  0.0613 -4.8507 3 1154.8861540  595161404673136 3    663235 3      C-13-H3C(O)CH3
  912492.2030  0.0613 -4.8507 3 1154.8861540  595161404673236 3    663135 3      C-13-H3C(O)CH3
  912492.2145  0.0613 -4.8507 3 1154.8861540  595161404673136 4    663235 4      C-13-H3C(O)CH3
  912492.2257  0.0613 -4.8507 3 1154.8861540  595161404673236 4    663135 4      C-13-H3C(O)CH3
  912538.2972  0.0165 -5.2878 3  316.8365568  595161404352114 0    341817 0      C-13-H3C(O)CH3
  912541.6040  0.0679 -4.5566 3 1175.6471A96  595161404683038 0    673137 0      C-13-H3C(O)CH3
  912541.6042  0.0679 -4.5566 3 1175.6471A96  595161404683138 0    673037 0      C-13-H3C(O)CH3
  912545.5863  0.0112 -3.8283 3  714.1769824  595161404513417 0    503318 0      C-13-H3C(O)CH3
  912554.7314  0.0242 -5.5865 3  316.7874284  595161404352114 4    341817 4      C-13-H3C(O)CH3
  912555.8596  0.0683 -4.5567 3 1175.6641A96  595161404683038 1    673137 1      C-13-H3C(O)CH3
  912555.8598  0.0683 -4.5567 3 1175.6641A96  595161404683138 1    673037 1      C-13-H3C(O)CH3
  912558.0004  0.0707 -4.5568 3 1175.6660A96  595161404683038 2    673137 2      C-13-H3C(O)CH3
  912558.0006  0.0707 -4.5568 3 1175.6660A96  595161404683138 2    673037 2      C-13-H3C(O)CH3
  912559.6788  0.0233 -5.5866 3  316.7874284  595161404352114 3    341817 3      C-13-H3C(O)CH3
  912572.2815  0.0644 -4.8578 3 1175.6830548  595161404683038 3    673137 3      C-13-H3C(O)CH3
  912572.2817  0.0644 -4.8578 3 1175.6830548  595161404683138 3    673037 3      C-13-H3C(O)CH3
  912572.3013  0.0644 -4.8578 3 1175.6831548  595161404683038 4    673137 4      C-13-H3C(O)CH3
  912572.3015  0.0644 -4.8578 3 1175.6831548  595161404683138 4    673037 4      C-13-H3C(O)CH3
  912696.7397  0.0577 -4.7186 3 1409.2325D84  595161404861076 0    851075 0      C-13-H3C(O)CH3
  912696.7397  0.0577 -5.6259 3 1409.2325D84  595161404861076 0    851175 0      C-13-H3C(O)CH3
  912696.7397  0.0577 -4.7186 3 1409.2325D84  595161404861176 0    851175 0      C-13-H3C(O)CH3
  912696.7397  0.0577 -5.6259 3 1409.2325D84  595161404861176 0    851075 0      C-13-H3C(O)CH3
  912705.5960  0.0304 -6.0039 3  205.2527568  59516140435 432 0    34 133 0      C-13-H3C(O)CH3
  912705.5960  0.0304 -5.3887 3  205.2527568  59516140435 432 0    34 233 0      C-13-H3C(O)CH3
  912705.5960  0.0304 -6.0039 3  205.2527568  59516140435 332 0    34 233 0      C-13-H3C(O)CH3
  912705.5960  0.0304 -5.3887 3  205.2527568  59516140435 332 0    34 133 0      C-13-H3C(O)CH3
  912729.1801  0.0685 -4.7213 3 1409.2233D84  595161404861076 2    851175 2      C-13-H3C(O)CH3
  912729.1801  0.0685 -5.6037 3 1409.2233D84  595161404861076 2    851075 2      C-13-H3C(O)CH3
  912729.1801  0.0685 -5.6037 3 1409.2233D84  595161404861176 2    851175 2      C-13-H3C(O)CH3
  912729.1801  0.0685 -4.7213 3 1409.2233D84  595161404861176 2    851075 2      C-13-H3C(O)CH3
  912729.3748  0.0732 -4.7531 3 1409.2235D84  595161404861076 1    851175 1      C-13-H3C(O)CH3
  912729.3748  0.0732 -5.4167 3 1409.2235D84  595161404861076 1    851075 1      C-13-H3C(O)CH3
  912729.3748  0.0732 -5.1769 3 1409.2235D84  595161404861176 1    851175 1      C-13-H3C(O)CH3
  912729.3748  0.0732 -4.8288 3 1409.2235D84  595161404861176 1    851075 1      C-13-H3C(O)CH3
  912736.7882  0.0183 -5.2878 3  316.8143568  595161404352114 1    341817 1      C-13-H3C(O)CH3
  912753.2009  0.0586 -4.5459 3 1133.3758A64  595161404663234 0    653333 0      C-13-H3C(O)CH3
  912753.5878  0.0586 -4.5459 3 1133.3758A64  595161404663334 0    653233 0      C-13-H3C(O)CH3
  912761.8351  0.0598 -4.9829 3 1409.2142692  595161404861076 3    851075 3      C-13-H3C(O)CH3
  912761.8351  0.0598 -6.0055 3 1409.2142692  595161404861176 3    851075 3      C-13-H3C(O)CH3
  912761.8351  0.0598 -5.0107 3 1409.2142692  595161404861176 3    851175 3      C-13-H3C(O)CH3
  912761.8773  0.0598 -4.9723 3 1409.2142692  595161404861076 4    851075 4      C-13-H3C(O)CH3
  912761.8773  0.0598 -4.9723 3 1409.2142692  595161404861176 4    851175 4      C-13-H3C(O)CH3
  912774.7834  0.0587 -4.5460 3 1133.3907A64  595161404663234 1    653333 1      C-13-H3C(O)CH3
  912775.2358  0.0586 -4.5460 3 1133.3907A64  595161404663334 1    653233 1      C-13-H3C(O)CH3
  912776.9787  0.0616 -4.5460 3 1133.3928A64  595161404663234 2    653333 2      C-13-H3C(O)CH3
  912777.3941  0.0616 -4.5460 3 1133.3928A64  595161404663334 2    653233 2      C-13-H3C(O)CH3
  912798.6016  0.0580 -4.8471 3 1133.4077532  595161404663234 3    653333 3      C-13-H3C(O)CH3
  912798.6323  0.0580 -4.8471 3 1133.4077532  595161404663234 4    653333 4      C-13-H3C(O)CH3
  912799.0868  0.0580 -4.8471 3 1133.4077532  595161404663334 3    653233 3      C-13-H3C(O)CH3
  912799.1154  0.0580 -4.8471 3 1133.4077532  595161404663334 4    653233 4      C-13-H3C(O)CH3
  912883.2486  0.0726 -4.5660 3 1195.7968B12  595161404692940 0    683039 0      C-13-H3C(O)CH3
  912883.2486  0.0726 -4.5661 3 1195.7968B12  595161404693040 0    682939 0      C-13-H3C(O)CH3
  912895.7756  0.0732 -4.5660 3 1195.8144B12  595161404692940 1    683039 1      C-13-H3C(O)CH3
  912895.7756  0.0732 -4.5660 3 1195.8144B12  595161404693040 1    682939 1      C-13-H3C(O)CH3
  912898.0241  0.0753 -4.5662 3 1195.8162B12  595161404692940 2    683039 2      C-13-H3C(O)CH3
  912898.0241  0.0753 -4.5662 3 1195.8162B12  595161404693040 2    682939 2      C-13-H3C(O)CH3
  912910.5740  0.0674 -4.8671 3 1195.8339556  595161404693040 3    682939 3      C-13-H3C(O)CH3
  912910.5740  0.0674 -4.8671 3 1195.8339556  595161404692940 3    683039 3      C-13-H3C(O)CH3
  912910.5927  0.0674 -4.8671 3 1195.8340556  595161404693040 4    682939 4      C-13-H3C(O)CH3
  912910.5927  0.0674 -4.8671 3 1195.8340556  595161404692940 4    683039 4      C-13-H3C(O)CH3
  912927.0417  0.0057 -3.5774 3  691.4029792 -595161404493811 0    483712 0      C-13-H3C(O)CH3
  912927.0417  0.0057 -3.5774 3  691.4029792 -595161404493812 0    483711 0      C-13-H3C(O)CH3
  912927.4367  0.0551 -4.2070 3  714.2100412  595161404513417 3    503318 3      C-13-H3C(O)CH3
  912929.2964  0.0070 -3.5776 3  691.4362792 -595161404493811 2    483711 2      C-13-H3C(O)CH3
  912977.9350  0.0184 -4.9607 3  358.9029600  595161404372314 2    362017 2      C-13-H3C(O)CH3
  912982.0737  0.0066 -3.5775 3  691.4277792 -595161404493811 1    483711 1      C-13-H3C(O)CH3
  912983.9843  0.0100 -3.8787 3  691.4610396  595161404493811 4    483711 4      C-13-H3C(O)CH3
  913037.5540  0.0148 -4.9634 3  358.9312600  595161404372314 0    362017 0      C-13-H3C(O)CH3
  913047.7900  0.0067 -3.5774 3  691.4205792 -595161404493812 2    483712 2      C-13-H3C(O)CH3
  913059.8271  0.0068 -3.5774 3  691.4036792 -595161404493812 1    483712 1      C-13-H3C(O)CH3
  913062.1807  0.0095 -3.8787 3  691.4370396  595161404493812 3    483712 3      C-13-H3C(O)CH3
  913088.9390  0.0910 -5.5791 3 1348.4735C72  595161404791961 0    781960 0      C-13-H3C(O)CH3
  913088.9390  0.0910 -4.7065 3 1348.4735C72  595161404791961 0    781860 0      C-13-H3C(O)CH3
  913088.9390  0.0910 -4.7065 3 1348.4735C72  595161404791861 0    781960 0      C-13-H3C(O)CH3
  913088.9390  0.0910 -5.5791 3 1348.4735C72  595161404791861 0    781860 0      C-13-H3C(O)CH3
  913094.4627  0.0183 -4.9906 3 1435.5681748 -59516140493 291 4    92 390 4      C-13-H3C(O)CH3
  913094.4627  0.0183 -5.8479 3 1435.5681748 -59516140493 391 4    92 390 4      C-13-H3C(O)CH3
  913094.4627  0.0183 -4.9471 3 1435.5681748 -59516140493 391 3    92 290 3      C-13-H3C(O)CH3
  913094.6404  0.0183 -5.8479 3 1435.5681748  59516140493 291 4    92 290 4      C-13-H3C(O)CH3
  913094.6404  0.0183 -4.9906 3 1435.5681748  59516140493 391 4    92 290 4      C-13-H3C(O)CH3
  913094.6513  0.0183 -4.9471 3 1435.5681748  59516140493 291 3    92 390 3      C-13-H3C(O)CH3
  913102.9176  0.0088 -3.8785 3  691.4453396  595161404493811 3    483711 3      C-13-H3C(O)CH3
  913114.2724  0.0917 -5.2761 3 1348.4894C72  595161404791961 1    781960 1      C-13-H3C(O)CH3
  913114.2724  0.0917 -4.7697 3 1348.4894C72  595161404791961 1    781860 1      C-13-H3C(O)CH3
  913114.2724  0.0917 -4.7697 3 1348.4894C72  595161404791861 1    781960 1      C-13-H3C(O)CH3
  913114.2724  0.0917 -5.2761 3 1348.4894C72  595161404791861 1    781860 1      C-13-H3C(O)CH3
  913116.1326  0.0938 -4.7241 3 1348.4900C72  595161404791961 2    781860 2      C-13-H3C(O)CH3
  913116.1326  0.0938 -5.4670 3 1348.4900C72  595161404791861 2    781860 2      C-13-H3C(O)CH3
  913116.1326  0.0938 -4.7241 3 1348.4900C72  595161404791861 2    781960 2      C-13-H3C(O)CH3
  913116.1326  0.0938 -5.4670 3 1348.4900C72  595161404791961 2    781960 2      C-13-H3C(O)CH3
  913117.5235  0.0193 -5.9857 3 1435.5819E96 -59516140493 291 1    92 290 1      C-13-H3C(O)CH3
  913117.5235  0.0243 -4.7457 3 1435.5815E96 -59516140493 291 2    92 390 2      C-13-H3C(O)CH3
  913117.5235  0.0243 -5.2744 3 1435.5815E96 -59516140493 391 2    92 390 2      C-13-H3C(O)CH3
  913117.5235  0.0243 -4.7457 3 1435.5815E96 -59516140493 391 2    92 290 2      C-13-H3C(O)CH3
  913117.5235  0.0193 -5.9857 3 1435.5819E96 -59516140493 391 1    92 390 1      C-13-H3C(O)CH3
  913117.5235  0.0193 -4.6528 3 1435.5819E96 -59516140493 291 1    92 390 1      C-13-H3C(O)CH3
  913117.5235  0.0193 -4.6528 3 1435.5819E96 -59516140493 391 1    92 290 1      C-13-H3C(O)CH3
  913117.5235  0.0243 -5.2744 3 1435.5815E96 -59516140493 291 2    92 290 2      C-13-H3C(O)CH3
  913120.5133  0.0200 -5.2614 3  358.8800300  595161404372314 4    362017 4      C-13-H3C(O)CH3
  913127.2989  0.0217 -5.2615 3  358.8800300  595161404372314 3    362017 3      C-13-H3C(O)CH3
  913140.4481  0.0168 -4.6362 3 1435.5953E96  59516140493 291 0    92 390 0      C-13-H3C(O)CH3
  913140.7793  0.0168 -4.6362 3 1435.5953E96 -59516140493 391 0    92 290 0      C-13-H3C(O)CH3
  913141.4974  0.0769 -5.0927 3 1348.5059636  595161404791961 3    781960 3      C-13-H3C(O)CH3
  913141.4974  0.0769 -5.5135 3 1348.5059636  595161404791961 3    781860 3      C-13-H3C(O)CH3
  913141.4974  0.0769 -5.5135 3 1348.5059636  595161404791861 3    781960 3      C-13-H3C(O)CH3
  913141.4974  0.0769 -5.0927 3 1348.5059636  595161404791861 3    781860 3      C-13-H3C(O)CH3
  913141.5398  0.0770 -4.9592 3 1348.5059636  595161404791861 4    781960 4      C-13-H3C(O)CH3
  913141.5398  0.0770 -4.9592 3 1348.5059636  595161404791961 4    781860 4      C-13-H3C(O)CH3
  913181.1701  0.0094 -3.8784 3  691.4211396  595161404493812 4    483712 4      C-13-H3C(O)CH3
  913182.6297  0.0159 -4.9632 3  358.9083600  595161404372314 1    362017 1      C-13-H3C(O)CH3
  913253.6143  0.0670 -4.2801 3  714.1828824  595161404513417 1    503318 1      C-13-H3C(O)CH3
  913332.0070  0.0073 -3.6789 3  701.5748808 -595161404503615 0    493514 0      C-13-H3C(O)CH3
  913337.6687  0.0073 -3.6789 3  701.5746808  595161404503614 0    493515 0      C-13-H3C(O)CH3
  913367.7719  0.0076 -3.6792 3  701.6210808 -595161404503614 2    493514 2      C-13-H3C(O)CH3
  913400.5956  0.0079 -3.6791 3  701.6056808 -595161404503614 1    493514 1      C-13-H3C(O)CH3
  913404.1963  0.0773 -4.5784 3 1215.3252B28  595161404702842 0    692941 0      C-13-H3C(O)CH3
  913404.1963  0.0773 -4.5784 3 1215.3252B28  595161404702942 0    692841 0      C-13-H3C(O)CH3
  913415.7701  0.0780 -4.5805 3 1215.3434B28  595161404702942 1    692841 1      C-13-H3C(O)CH3
  913415.7701  0.0780 -4.5988 3 1215.3434B28  595161404702842 1    692941 1      C-13-H3C(O)CH3
  913418.1520  0.0798 -5.0007 3 1215.3451B28  595161404702942 2    692841 2      C-13-H3C(O)CH3
  913418.1520  0.0798 -4.7822 3 1215.3451B28  595161404702942 2    692941 2      C-13-H3C(O)CH3
  913418.1520  0.0798 -4.7822 3 1215.3451B28  595161404702842 2    692841 2      C-13-H3C(O)CH3
  913418.1520  0.0798 -5.0007 3 1215.3451B28  595161404702842 2    692941 2      C-13-H3C(O)CH3
  913429.7478  0.0702 -4.8789 3 1215.3633564  595161404702942 3    692941 3      C-13-H3C(O)CH3
  913429.7478  0.0702 -4.8802 3 1215.3633564  595161404702842 3    692841 3      C-13-H3C(O)CH3
  913429.7665  0.0702 -4.8886 3 1215.3634564  595161404702942 4    692841 4      C-13-H3C(O)CH3
  913429.7665  0.0702 -4.8938 3 1215.3634564  595161404702842 4    692941 4      C-13-H3C(O)CH3
  913434.3792  0.0104 -3.9803 3  701.6519404  595161404503614 4    493514 4      C-13-H3C(O)CH3
  913486.2361  0.0080 -3.6788 3  701.5784808 -595161404503615 1    493515 1      C-13-H3C(O)CH3
  913509.0490  0.0078 -3.6786 3  701.5900808 -595161404503615 2    493515 2      C-13-H3C(O)CH3
  913520.3549  0.0108 -3.9805 3  701.6247404  595161404503614 3    493514 3      C-13-H3C(O)CH3
  913526.5647  0.0069 -4.0590 3  419.2684664  595161404411922 0    401823 0      C-13-H3C(O)CH3
  913528.0870  0.0069 -4.0590 3  419.2684664  595161404412022 0    401723 0      C-13-H3C(O)CH3
  913562.8123  0.0989 -4.4413 3  714.1849824  595161404513417 2    503318 2      C-13-H3C(O)CH3
  913566.2763  0.0086 -4.0588 3  419.2398664  595161404411922 2    401823 2      C-13-H3C(O)CH3
  913567.9138  0.0086 -4.0588 3  419.2398664  595161404412022 2    401723 2      C-13-H3C(O)CH3
  913575.5887  0.0106 -3.9802 3  701.6209404  595161404503615 3    493515 3      C-13-H3C(O)CH3
  913580.9649  0.0076 -4.0588 3  419.2421664  595161404411922 1    401823 1      C-13-H3C(O)CH3
  913582.5430  0.0076 -4.0588 3  419.2421664  595161404412022 1    401723 1      C-13-H3C(O)CH3
  913620.7806  0.0095 -4.3595 3  419.2133332  595161404411922 4    401823 4      C-13-H3C(O)CH3
  913620.8197  0.0095 -4.3596 3  419.2134332  595161404411922 3    401823 3      C-13-H3C(O)CH3
  913622.4717  0.0095 -4.3595 3  419.2133332  595161404412022 4    401723 4      C-13-H3C(O)CH3
  913622.5180  0.0095 -4.3596 3  419.2134332  595161404412022 3    401723 3      C-13-H3C(O)CH3
  913657.7813  0.0540 -4.5478 3 1111.1655A48  595161404653332 0    643431 0      C-13-H3C(O)CH3
  913661.3980  0.0115 -3.9796 3  701.5937404  595161404503615 4    493515 4      C-13-H3C(O)CH3
  913671.7979  0.0541 -4.5478 3 1111.1651A48  595161404653432 0    643331 0      C-13-H3C(O)CH3
  913686.2945  0.0540 -4.5480 3 1111.1786A48  595161404653332 1    643431 1      C-13-H3C(O)CH3
  913689.1146  0.0570 -4.5479 3 1111.1809A48  595161404653332 2    643431 2      C-13-H3C(O)CH3
  913701.8596  0.0539 -4.5480 3 1111.1782A48  595161404653432 1    643331 1      C-13-H3C(O)CH3
  913703.9777  0.0567 -4.5479 3 1111.1805A48  595161404653432 2    643331 2      C-13-H3C(O)CH3
  913717.6553  0.0546 -4.8491 3 1111.1941524  595161404653332 3    643431 3      C-13-H3C(O)CH3
  913717.7204  0.0546 -4.8491 3 1111.1941524  595161404653332 4    643431 4      C-13-H3C(O)CH3
  913734.1523  0.0540 -4.8491 3 1111.1936524  595161404653432 3    643331 3      C-13-H3C(O)CH3
  913734.1779  0.0541 -4.8491 3 1111.1937524  595161404653432 4    643331 4      C-13-H3C(O)CH3
  913894.2547  0.0589 -5.6549 3 1418.1917E00  595161404871078 0    861077 0      C-13-H3C(O)CH3
  913894.2547  0.0589 -4.7204 3 1418.1917E00  595161404871078 0    86 977 0      C-13-H3C(O)CH3
  913894.2547  0.0589 -4.7204 3 1418.1917E00  59516140487 978 0    861077 0      C-13-H3C(O)CH3
  913894.2547  0.0589 -5.6549 3 1418.1917E00  59516140487 978 0    86 977 0      C-13-H3C(O)CH3
  913916.6089  0.0081 -4.4652 3  351.6668316  595161404391425 4    381326 4      C-13-H3C(O)CH3
  913916.6090  0.0081 -4.4652 3  351.6668316  595161404391525 4    381226 4      C-13-H3C(O)CH3
  913916.9723  0.0079 -4.4652 3  351.6668316  595161404391525 3    381226 3      C-13-H3C(O)CH3
  913916.9723  0.0079 -4.4652 3  351.6668316  595161404391425 3    381326 3      C-13-H3C(O)CH3
  913923.5904  0.0755 -4.8207 3 1418.1771E00  59516140487 978 2    861077 2      C-13-H3C(O)CH3
  913923.5904  0.0755 -5.2116 3 1418.1771E00  59516140487 978 2    86 977 2      C-13-H3C(O)CH3
  913923.5904  0.0755 -5.2116 3 1418.1771E00  595161404871078 2    861077 2      C-13-H3C(O)CH3
  913923.5904  0.0755 -4.8207 3 1418.1771E00  595161404871078 2    86 977 2      C-13-H3C(O)CH3
  913923.8119  0.0808 -5.2336 3 1418.1773E00  595161404871078 1    86 977 1      C-13-H3C(O)CH3
  913923.8119  0.0808 -4.8121 3 1418.1773E00  595161404871078 1    861077 1      C-13-H3C(O)CH3
  913923.8119  0.0808 -5.2336 3 1418.1773E00  59516140487 978 1    861077 1      C-13-H3C(O)CH3
  913923.8119  0.0808 -4.8121 3 1418.1773E00  59516140487 978 1    86 977 1      C-13-H3C(O)CH3
  913953.1629  0.0585 -5.3880 3 1418.1627700  595161404871078 3    861077 3      C-13-H3C(O)CH3
  913953.1629  0.0585 -5.1847 3 1418.1627700  595161404871078 3    86 977 3      C-13-H3C(O)CH3
  913953.1629  0.0585 -5.1847 3 1418.1627700  59516140487 978 3    861077 3      C-13-H3C(O)CH3
  913953.1629  0.0585 -5.3880 3 1418.1627700  59516140487 978 3    86 977 3      C-13-H3C(O)CH3
  913953.1976  0.0585 -4.9991 3 1418.1627700  595161404871078 4    86 977 4      C-13-H3C(O)CH3
  913953.1976  0.0585 -4.9991 3 1418.1627700  59516140487 978 4    861077 4      C-13-H3C(O)CH3
  913968.3278  0.0076 -4.1644 3  351.6923632  595161404391425 2    381326 2      C-13-H3C(O)CH3
  913968.3278  0.0076 -4.1644 3  351.6923632  595161404391525 2    381226 2      C-13-H3C(O)CH3
  913977.0029  0.0077 -4.1644 3  351.6937632  595161404391425 1    381326 1      C-13-H3C(O)CH3
  913977.0029  0.0077 -4.1644 3  351.6937632  595161404391525 1    381226 1      C-13-H3C(O)CH3
  913987.8848  0.0193 -5.4314 3  296.5962552  595161404342014 2    331717 2      C-13-H3C(O)CH3
  914028.2998  0.0065 -4.1644 3  351.7192632  595161404391525 0    381226 0      C-13-H3C(O)CH3
  914028.2998  0.0065 -4.1644 3  351.7192632  595161404391425 0    381326 0      C-13-H3C(O)CH3
  914055.3767  0.0817 -5.5265 3 1234.2504B44  595161404712844 0    702743 0      C-13-H3C(O)CH3
  914055.3767  0.0817 -4.6417 3 1234.2504B44  595161404712844 0    702843 0      C-13-H3C(O)CH3
  914055.3767  0.0817 -4.6417 3 1234.2504B44  595161404712744 0    702743 0      C-13-H3C(O)CH3
  914055.3767  0.0817 -5.5265 3 1234.2504B44  595161404712744 0    702843 0      C-13-H3C(O)CH3
  914066.5931  0.0828 -5.8372 3 1234.2689B44  595161404712744 1    702743 1      C-13-H3C(O)CH3
  914066.5931  0.0828 -5.8372 3 1234.2689B44  595161404712844 1    702843 1      C-13-H3C(O)CH3
  914066.5931  0.0828 -4.6138 3 1234.2689B44  595161404712844 1    702743 1      C-13-H3C(O)CH3
  914066.5931  0.0828 -4.6138 3 1234.2689B44  595161404712744 1    702843 1      C-13-H3C(O)CH3
  914069.1091  0.0843 -4.6064 3 1234.2706B44  595161404712744 2    702843 2      C-13-H3C(O)CH3
  914069.1091  0.0843 -5.9840 3 1234.2706B44  595161404712844 2    702843 2      C-13-H3C(O)CH3
  914069.1091  0.0843 -5.9840 3 1234.2706B44  595161404712744 2    702743 2      C-13-H3C(O)CH3
  914069.1091  0.0843 -4.6064 3 1234.2706B44  595161404712844 2    702743 2      C-13-H3C(O)CH3
  914080.3472  0.0729 -4.9504 3 1234.2892572  595161404712844 3    702743 3      C-13-H3C(O)CH3
  914080.3472  0.0729 -5.7735 3 1234.2892572  595161404712844 3    702843 3      C-13-H3C(O)CH3
  914080.3472  0.0729 -5.7735 3 1234.2892572  595161404712744 3    702743 3      C-13-H3C(O)CH3
  914080.3472  0.0729 -4.9504 3 1234.2892572  595161404712744 3    702843 3      C-13-H3C(O)CH3
  914080.3668  0.0729 -5.2090 3 1234.2892572  595161404712744 4    702843 4      C-13-H3C(O)CH3
  914080.3668  0.0729 -5.1730 3 1234.2892572  595161404712844 4    702843 4      C-13-H3C(O)CH3
  914080.3668  0.0729 -4.9078 3 1234.2892572  595161404712744 4    702743 4      C-13-H3C(O)CH3
  914089.1197  0.0169 -5.5564 3  276.9432536  595161404331914 2    321617 2      C-13-H3C(O)CH3
  914113.9779  0.0137 -3.3765 3  680.9782744  5951614044645 1 0    4544 1 0      C-13-H3C(O)CH3
  914113.9779  0.0137 -3.3765 3  680.9782744  5951614044645 2 0    4544 2 0      C-13-H3C(O)CH3
  914172.3665  0.0885 -5.5031 3 1361.7555C88  595161404801763 0    791762 0      C-13-H3C(O)CH3
  914172.3665  0.0885 -4.7298 3 1361.7555C88  595161404801763 0    791862 0      C-13-H3C(O)CH3
  914172.3665  0.0885 -5.5031 3 1361.7555C88  595161404801863 0    791862 0      C-13-H3C(O)CH3
  914172.3665  0.0885 -4.7298 3 1361.7555C88  595161404801863 0    791762 0      C-13-H3C(O)CH3
  914177.6174  0.0157 -5.4328 3  296.6217552  595161404342014 0    331717 0      C-13-H3C(O)CH3
  914187.5188  0.0227 -5.7321 3  296.5749276  595161404342014 3    331717 3      C-13-H3C(O)CH3
  914191.1960  0.0229 -5.7321 3  296.5749276  595161404342014 4    331717 4      C-13-H3C(O)CH3
  914196.6372  0.0148 -3.3765 3  681.0403744 -5951614044645 1 1    4544 1 1      C-13-H3C(O)CH3
  914199.8435  0.0884 -5.1087 3 1361.7701C88  595161404801863 1    791862 1      C-13-H3C(O)CH3
  914199.8435  0.0884 -5.1087 3 1361.7701C88  595161404801763 1    791762 1      C-13-H3C(O)CH3
  914199.8435  0.0884 -4.8544 3 1361.7701C88  595161404801763 1    791862 1      C-13-H3C(O)CH3
  914199.8435  0.0884 -4.8544 3 1361.7701C88  595161404801863 1    791762 1      C-13-H3C(O)CH3
  914201.4300  0.0907 -4.8330 3 1361.7705C88  595161404801863 2    791862 2      C-13-H3C(O)CH3
  914201.4300  0.0907 -5.1500 3 1361.7705C88  595161404801863 2    791762 2      C-13-H3C(O)CH3
  914201.4300  0.0907 -4.8330 3 1361.7705C88  595161404801763 2    791762 2      C-13-H3C(O)CH3
  914201.4300  0.0907 -5.1500 3 1361.7705C88  595161404801763 2    791862 2      C-13-H3C(O)CH3
  914228.9391  0.0759 -4.9677 3 1361.7851644  595161404801863 3    791862 3      C-13-H3C(O)CH3
  914228.9391  0.0759 -4.9677 3 1361.7851644  595161404801763 3    791762 3      C-13-H3C(O)CH3
  914228.9836  0.0759 -5.1202 3 1361.7851644  595161404801863 4    791762 4      C-13-H3C(O)CH3
  914228.9836  0.0759 -5.4814 3 1361.7851644  595161404801863 4    791862 4      C-13-H3C(O)CH3
  914228.9836  0.0759 -5.1202 3 1361.7851644  595161404801763 4    791862 4      C-13-H3C(O)CH3
  914228.9836  0.0759 -5.4814 3 1361.7851644  595161404801763 4    791762 4      C-13-H3C(O)CH3
  914252.3822  0.0210 -5.8567 3  276.9234268  595161404331914 3    321617 3      C-13-H3C(O)CH3
  914253.3358  0.0160 -3.3764 3  681.0139744 -5951614044645 1 2    4544 1 2      C-13-H3C(O)CH3
  914261.1775  0.0202 -5.8567 3  276.9234268  595161404331914 4    321617 4      C-13-H3C(O)CH3
  914268.1281  0.0141 -5.5571 3  276.9668536  595161404331914 0    321617 0      C-13-H3C(O)CH3
  914305.3858  0.0164 -3.3763 3  680.9534744 -5951614044645 2 2    4544 2 2      C-13-H3C(O)CH3
  914336.6648  0.0214 -3.6775 3  681.0760372  5951614044645 1 4    4544 1 4      C-13-H3C(O)CH3
  914359.0810  0.0151 -3.3763 3  680.9822744 -5951614044645 2 1    4544 2 1      C-13-H3C(O)CH3
  914374.3663  0.0183 -5.4327 3  296.6004552  595161404342014 1    331717 1      C-13-H3C(O)CH3
  914387.0886  0.0177 -5.8379 3 1440.2782756  59516140494 193 3    93 292 3      C-13-H3C(O)CH3
  914387.0886  0.0177 -4.9896 3 1440.2782756  59516140494 293 3    93 292 3      C-13-H3C(O)CH3
  914387.0886  0.0177 -5.8379 3 1440.2782756  59516140494 293 3    93 192 3      C-13-H3C(O)CH3
  914387.0886  0.0177 -4.9896 3 1440.2782756  59516140494 193 3    93 192 3      C-13-H3C(O)CH3
  914387.1126  0.0177 -5.9705 3 1440.2782756  59516140494 293 4    93 192 4      C-13-H3C(O)CH3
  914387.1126  0.0177 -4.9737 3 1440.2782756  59516140494 293 4    93 292 4      C-13-H3C(O)CH3
  914387.1126  0.0177 -5.9705 3 1440.2782756  59516140494 193 4    93 292 4      C-13-H3C(O)CH3
  914387.1126  0.0177 -4.9737 3 1440.2782756  59516140494 193 4    93 192 4      C-13-H3C(O)CH3
  914388.2031  0.0227 -3.6774 3  681.0154372  5951614044645 2 3    4544 2 3      C-13-H3C(O)CH3
  914406.9893  0.0268 -4.6350 3 1440.2641F12  59516140494 193 2    93 192 2      C-13-H3C(O)CH3
  914406.9893  0.0268 -4.6350 3 1440.2641F12  59516140494 293 2    93 292 2      C-13-H3C(O)CH3
  914407.1001  0.0205 -5.8315 3 1440.2646F12 -59516140494 193 1    93 292 1      C-13-H3C(O)CH3
  914407.1001  0.0205 -5.8315 3 1440.2646F12 -59516140494 293 1    93 192 1      C-13-H3C(O)CH3
  914407.2393  0.0205 -4.6592 3 1440.2646F12  59516140494 193 1    93 192 1      C-13-H3C(O)CH3
  914407.2393  0.0205 -4.6592 3 1440.2646F12  59516140494 293 1    93 292 1      C-13-H3C(O)CH3
  914427.0907  0.0167 -4.7701 3 1440.2505F12  59516140494 293 0    93 292 0      C-13-H3C(O)CH3
  914427.0907  0.0167 -5.1929 3 1440.2505F12  59516140494 293 0    93 192 0      C-13-H3C(O)CH3
  914427.0907  0.0167 -5.1929 3 1440.2505F12  59516140494 193 0    93 292 0      C-13-H3C(O)CH3
  914427.0907  0.0167 -4.7701 3 1440.2505F12  59516140494 193 0    93 192 0      C-13-H3C(O)CH3
  914431.3092  0.0170 -5.5567 3  276.9470536  595161404331914 1    321617 1      C-13-H3C(O)CH3
  914498.6581  0.0231 -3.6772 3  681.0178372  5951614044645 1 3    4544 1 3      C-13-H3C(O)CH3
  914549.9641  0.0252 -3.6771 3  680.9573372  5951614044645 2 4    4544 2 4      C-13-H3C(O)CH3
  914729.5231  0.1422 -5.1521 3  714.1818412  595161404513417 4    503318 4      C-13-H3C(O)CH3
  914803.9576  0.0859 -4.9526 3 1252.5856B60  595161404722646 0    712645 0      C-13-H3C(O)CH3
  914803.9576  0.0859 -4.8565 3 1252.5856B60  595161404722746 0    712645 0      C-13-H3C(O)CH3
  914803.9576  0.0859 -4.8565 3 1252.5856B60  595161404722646 0    712745 0      C-13-H3C(O)CH3
  914803.9576  0.0859 -4.9526 3 1252.5856B60  595161404722746 0    712745 0      C-13-H3C(O)CH3
  914815.3022  0.0873 -4.8320 3 1252.6044B60  595161404722746 1    712645 1      C-13-H3C(O)CH3
  914815.3022  0.0873 -4.9854 3 1252.6044B60  595161404722746 1    712745 1      C-13-H3C(O)CH3
  914815.3022  0.0873 -4.8320 3 1252.6044B60  595161404722646 1    712745 1      C-13-H3C(O)CH3
  914815.3022  0.0873 -4.9854 3 1252.6044B60  595161404722646 1    712645 1      C-13-H3C(O)CH3
  914817.9355  0.0886 -4.6276 3 1252.6060B60  595161404722646 2    712645 2      C-13-H3C(O)CH3
  914817.9355  0.0886 -5.8255 3 1252.6060B60  595161404722646 2    712745 2      C-13-H3C(O)CH3
  914817.9355  0.0886 -5.8255 3 1252.6060B60  595161404722746 2    712645 2      C-13-H3C(O)CH3
  914817.9355  0.0886 -4.6276 3 1252.6060B60  595161404722746 2    712745 2      C-13-H3C(O)CH3
  914829.3021  0.0753 -4.9200 3 1252.6249580  595161404722746 3    712645 3      C-13-H3C(O)CH3
  914829.3021  0.0753 -4.9200 3 1252.6249580  595161404722646 3    712745 3      C-13-H3C(O)CH3
  914829.3230  0.0753 -4.9290 3 1252.6249580  595161404722646 4    712745 4      C-13-H3C(O)CH3
  914829.3230  0.0753 -4.9222 3 1252.6249580  595161404722746 4    712645 4      C-13-H3C(O)CH3
  915105.9726  0.0609 -4.6767 3 1426.6206E16  59516140488 880 0    87 979 0      C-13-H3C(O)CH3
  915105.9726  0.0609 -4.6767 3 1426.6206E16  59516140488 980 0    87 879 0      C-13-H3C(O)CH3
  915130.7189  0.0824 -5.2965 3 1426.6004E16  59516140488 880 2    87 879 2      C-13-H3C(O)CH3
  915130.7189  0.0824 -4.7956 3 1426.6004E16  59516140488 880 2    87 979 2      C-13-H3C(O)CH3
  915130.7189  0.0824 -4.7956 3 1426.6004E16  59516140488 980 2    87 879 2      C-13-H3C(O)CH3
  915130.7189  0.0824 -5.2965 3 1426.6004E16  59516140488 980 2    87 979 2      C-13-H3C(O)CH3
  915130.8969  0.0875 -4.7614 3 1426.6006E16  59516140488 880 1    87 979 1      C-13-H3C(O)CH3
  915130.8969  0.0875 -5.4270 3 1426.6006E16  59516140488 880 1    87 879 1      C-13-H3C(O)CH3
  915130.8969  0.0875 -5.4270 3 1426.6006E16  59516140488 980 1    87 979 1      C-13-H3C(O)CH3
  915130.8969  0.0875 -4.7614 3 1426.6006E16  59516140488 980 1    87 879 1      C-13-H3C(O)CH3
  915155.6543  0.0569 -4.9796 3 1426.5803708  59516140488 880 3    87 879 3      C-13-H3C(O)CH3
  915155.6543  0.0569 -4.9796 3 1426.5803708  59516140488 980 3    87 979 3      C-13-H3C(O)CH3
  915155.6780  0.0570 -5.6298 3 1426.5803708  59516140488 980 4    87 979 4      C-13-H3C(O)CH3
  915155.6780  0.0570 -5.0868 3 1426.5803708  59516140488 880 4    87 979 4      C-13-H3C(O)CH3
  915155.6780  0.0570 -5.6298 3 1426.5803708  59516140488 880 4    87 879 4      C-13-H3C(O)CH3
  915155.6780  0.0570 -5.0868 3 1426.5803708  59516140488 980 4    87 879 4      C-13-H3C(O)CH3
  915272.7797  0.0849 -5.4924 3 1374.4963D04  595161404811765 0    801664 0      C-13-H3C(O)CH3
  915272.7797  0.0849 -4.7431 3 1374.4963D04  595161404811765 0    801764 0      C-13-H3C(O)CH3
  915272.7797  0.0849 -5.4924 3 1374.4963D04  595161404811665 0    801764 0      C-13-H3C(O)CH3
  915272.7797  0.0849 -4.7431 3 1374.4963D04  595161404811665 0    801664 0      C-13-H3C(O)CH3
  915302.3500  0.0839 -4.7066 3 1374.5092D04  595161404811765 1    801664 1      C-13-H3C(O)CH3
  915302.3500  0.0839 -5.7864 3 1374.5092D04  595161404811765 1    801764 1      C-13-H3C(O)CH3
  915302.3500  0.0839 -5.7864 3 1374.5092D04  595161404811665 1    801664 1      C-13-H3C(O)CH3
  915302.3500  0.0839 -4.7066 3 1374.5092D04  595161404811665 1    801764 1      C-13-H3C(O)CH3
  915303.6363  0.0863 -5.6369 3 1374.5095D04  595161404811665 2    801764 2      C-13-H3C(O)CH3
  915303.6363  0.0863 -5.6369 3 1374.5095D04  595161404811765 2    801664 2      C-13-H3C(O)CH3
  915303.6363  0.0863 -4.7217 3 1374.5095D04  595161404811665 2    801664 2      C-13-H3C(O)CH3
  915303.6363  0.0863 -4.7217 3 1374.5095D04  595161404811765 2    801764 2      C-13-H3C(O)CH3
  915333.2393  0.0745 -5.6211 3 1374.5224652  595161404811765 3    801664 3      C-13-H3C(O)CH3
  915333.2393  0.0745 -5.0836 3 1374.5224652  595161404811765 3    801764 3      C-13-H3C(O)CH3
  915333.2393  0.0745 -5.0836 3 1374.5224652  595161404811665 3    801664 3      C-13-H3C(O)CH3
  915333.2393  0.0745 -5.6211 3 1374.5224652  595161404811665 3    801764 3      C-13-H3C(O)CH3
  915333.2857  0.0745 -5.1338 3 1374.5224652  595161404811665 4    801664 4      C-13-H3C(O)CH3
  915333.2857  0.0745 -5.4823 3 1374.5224652  595161404811665 4    801764 4      C-13-H3C(O)CH3
  915333.2857  0.0745 -5.1338 3 1374.5224652  595161404811765 4    801764 4      C-13-H3C(O)CH3
  915333.2857  0.0745 -5.4823 3 1374.5224652  595161404811765 4    801664 4      C-13-H3C(O)CH3
  915378.7175  0.0098 -4.0492 3  480.3007696 -595161404432320 0    422221 0      C-13-H3C(O)CH3
  915392.4930  0.0158 -4.0490 3  480.2751696  595161404432320 2    422221 2      C-13-H3C(O)CH3
  915438.4958  0.0098 -4.0489 3  480.2786696  595161404432320 1    422221 1      C-13-H3C(O)CH3
  915451.8857  0.0169 -4.3497 3  480.2530348  595161404432320 3    422221 3      C-13-H3C(O)CH3
  915453.0269  0.0170 -4.3497 3  480.2529348  595161404432320 4    422221 4      C-13-H3C(O)CH3
  915484.8289  0.0500 -4.5600 3 1088.1353A32  595161404643430 0    633529 0      C-13-H3C(O)CH3
  915515.4849  0.0505 -4.5602 3 1088.1460A32  595161404643430 1    633529 1      C-13-H3C(O)CH3
  915523.2228  0.0550 -4.5601 3 1088.1483A32  595161404643430 2    633529 2      C-13-H3C(O)CH3
  915553.4527  0.0541 -4.8614 3 1088.1591516  595161404643430 3    633529 3      C-13-H3C(O)CH3
  915553.8067  0.0539 -4.8614 3 1088.1591516  595161404643430 4    633529 4      C-13-H3C(O)CH3
  915627.2202  0.0898 -4.6464 3 1270.3412B76  595161404732648 0    722547 0      C-13-H3C(O)CH3
  915627.2202  0.0898 -5.7514 3 1270.3412B76  595161404732648 0    722647 0      C-13-H3C(O)CH3
  915627.2202  0.0898 -5.7514 3 1270.3412B76  595161404732548 0    722547 0      C-13-H3C(O)CH3
  915627.2202  0.0898 -4.6464 3 1270.3412B76  595161404732548 0    722647 0      C-13-H3C(O)CH3
  915639.1061  0.0915 -4.7771 3 1270.3603B76  595161404732648 1    722647 1      C-13-H3C(O)CH3
  915639.1061  0.0915 -4.8088 3 1270.3603B76  595161404732548 1    722647 1      C-13-H3C(O)CH3
  915639.1061  0.0915 -5.0550 3 1270.3603B76  595161404732548 1    722547 1      C-13-H3C(O)CH3
  915639.1061  0.0915 -5.1172 3 1270.3603B76  595161404732648 1    722547 1      C-13-H3C(O)CH3
  915641.8280  0.0926 -5.5002 3 1270.3618B76  595161404732548 2    722547 2      C-13-H3C(O)CH3
  915641.8280  0.0926 -4.6740 3 1270.3618B76  595161404732548 2    722647 2      C-13-H3C(O)CH3
  915641.8280  0.0926 -4.6740 3 1270.3618B76  595161404732648 2    722547 2      C-13-H3C(O)CH3
  915641.8280  0.0926 -5.5002 3 1270.3618B76  595161404732648 2    722647 2      C-13-H3C(O)CH3
  915653.7364  0.0775 -5.1032 3 1270.3809588  595161404732648 3    722647 3      C-13-H3C(O)CH3
  915653.7364  0.0775 -5.1032 3 1270.3809588  595161404732548 3    722547 3      C-13-H3C(O)CH3
  915653.7364  0.0775 -5.3680 3 1270.3809588  595161404732548 3    722647 3      C-13-H3C(O)CH3
  915653.7364  0.0775 -5.3680 3 1270.3809588  595161404732648 3    722547 3      C-13-H3C(O)CH3
  915653.7590  0.0775 -5.0469 3 1270.3809588  595161404732548 4    722547 4      C-13-H3C(O)CH3
  915653.7590  0.0775 -5.0469 3 1270.3809588  595161404732648 4    722647 4      C-13-H3C(O)CH3
  915653.7590  0.0775 -5.4958 3 1270.3809588  595161404732648 4    722547 4      C-13-H3C(O)CH3
  915653.7590  0.0775 -5.4958 3 1270.3809588  595161404732548 4    722647 4      C-13-H3C(O)CH3
  915703.4837  0.0298 -5.0906 3 1444.4783764  59516140495 095 4    94 094 4      C-13-H3C(O)CH3
  915703.4837  0.0298 -5.4372 3 1444.4783764  59516140495 195 4    94 094 4      C-13-H3C(O)CH3
  915703.4837  0.0298 -5.0906 3 1444.4783764  59516140495 195 4    94 194 4      C-13-H3C(O)CH3
  915703.4837  0.0298 -5.4372 3 1444.4783764  59516140495 095 4    94 194 4      C-13-H3C(O)CH3
  915703.5071  0.0298 -4.9301 3 1444.4783764  59516140495 095 3    94 094 3      C-13-H3C(O)CH3
  915703.5071  0.0298 -4.9301 3 1444.4783764  59516140495 195 3    94 194 3      C-13-H3C(O)CH3
  915705.6214  0.0314 -4.7063 3 1444.4170F28  59516140495 095 1    94 094 1      C-13-H3C(O)CH3
  915705.6214  0.0314 -4.7063 3 1444.4170F28  59516140495 195 1    94 194 1      C-13-H3C(O)CH3
  915705.7445  0.0314 -5.4107 3 1444.4170F28 -59516140495 095 1    94 194 1      C-13-H3C(O)CH3
  915705.7445  0.0314 -5.4107 3 1444.4170F28 -59516140495 195 1    94 094 1      C-13-H3C(O)CH3
  915705.8255  0.0455 -4.6285 3 1444.4169F28  59516140495 195 2    94 194 2      C-13-H3C(O)CH3
  915705.8255  0.0455 -4.6285 3 1444.4169F28  59516140495 095 2    94 094 2      C-13-H3C(O)CH3
  915707.9192  0.0303 -5.0409 3 1444.3557F28  59516140495 095 0    94 194 0      C-13-H3C(O)CH3
  915707.9192  0.0303 -5.0409 3 1444.3557F28  59516140495 195 0    94 094 0      C-13-H3C(O)CH3
  915707.9192  0.0303 -4.8400 3 1444.3557F28  59516140495 195 0    94 194 0      C-13-H3C(O)CH3
  915707.9192  0.0303 -4.8400 3 1444.3557F28  59516140495 095 0    94 094 0      C-13-H3C(O)CH3
  915826.9805  0.0139 -4.0752 3  510.8345712  595161404442619 0    432320 0      C-13-H3C(O)CH3
  915864.7296  0.0514 -4.5595 3 1088.1257A32  595161404643530 0    633429 0      C-13-H3C(O)CH3
  915920.9064  0.0496 -4.5597 3 1088.1382A32  595161404643530 2    633429 2      C-13-H3C(O)CH3
  915922.5722  0.0495 -4.5597 3 1088.1357A32  595161404643530 1    633429 1      C-13-H3C(O)CH3
  915943.4406  0.0138 -4.0750 3  510.8143712  595161404442619 1    432320 1      C-13-H3C(O)CH3
  915961.5856  0.0138 -4.0753 3  510.8093712  595161404442619 2    432320 2      C-13-H3C(O)CH3
  915979.3120  0.0459 -4.8609 3 1088.1483516  595161404643530 4    633429 4      C-13-H3C(O)CH3
  915979.4860  0.0458 -4.8609 3 1088.1483516  595161404643530 3    633429 3      C-13-H3C(O)CH3
  916009.0553  0.0199 -5.6085 3  288.2655536  595161404332311 1    321814 1      C-13-H3C(O)CH3
  916057.8437  0.0072 -3.4271 3  685.1840760 -5951614044743 4 0    4642 5 0      C-13-H3C(O)CH3
  916057.8437  0.0072 -3.4271 3  685.1840760 -5951614044743 5 0    4642 4 0      C-13-H3C(O)CH3
  916074.9701  0.0134 -4.3762 3  510.7891356  595161404442619 4    432320 4      C-13-H3C(O)CH3
  916082.3849  0.0133 -4.3762 3  510.7891356  595161404442619 3    432320 3      C-13-H3C(O)CH3
  916128.9710  0.0079 -4.0464 3  449.7404680  595161404422121 0    412022 0      C-13-H3C(O)CH3
  916134.6094  0.0085 -3.4271 3  685.2016760 -5951614044743 4 2    4642 4 2      C-13-H3C(O)CH3
  916145.2587  0.0080 -3.4271 3  685.2243760 -5951614044743 4 1    4642 4 1      C-13-H3C(O)CH3
  916160.9984  0.0256 -5.9606 3  288.2386268  595161404332311 3    321814 3      C-13-H3C(O)CH3
  916176.0732  0.0081 -3.4271 3  685.1687760  5951614044743 5 2    4642 5 2      C-13-H3C(O)CH3
  916176.2573  0.0079 -4.0464 3  449.7404680  595161404422221 0    411922 0      C-13-H3C(O)CH3
  916177.9567  0.0107 -4.0462 3  449.7131680  595161404422121 2    412022 2      C-13-H3C(O)CH3
  916199.4701  0.0082 -4.0462 3  449.7159680  595161404422121 1    412022 1      C-13-H3C(O)CH3
  916221.9932  0.0127 -3.7281 3  685.2417380  5951614044743 4 4    4642 4 4      C-13-H3C(O)CH3
  916227.9025  0.0106 -4.0462 3  449.7131680  595161404422221 2    411922 2      C-13-H3C(O)CH3
  916248.0152  0.0083 -4.0461 3  449.7158680  595161404422221 1    411922 1      C-13-H3C(O)CH3
  916248.6081  0.0116 -4.3469 3  449.6885340  595161404422121 3    412022 3      C-13-H3C(O)CH3
  916248.7602  0.0117 -4.3469 3  449.6885340  595161404422121 4    412022 4      C-13-H3C(O)CH3
  916248.9847  0.0079 -3.4270 3  685.1769760 -5951614044743 5 1    4642 5 1      C-13-H3C(O)CH3
  916262.7384  0.0226 -5.8728 3  288.2389268  595161404332311 4    321814 4      C-13-H3C(O)CH3
  916262.9568  0.0121 -3.7280 3  685.2090380  5951614044743 4 3    4642 4 3      C-13-H3C(O)CH3
  916299.9010  0.0115 -4.3469 3  449.6885340  595161404422221 3    411922 3      C-13-H3C(O)CH3
  916299.9162  0.0115 -4.3469 3  449.6884340  595161404422221 4    411922 4      C-13-H3C(O)CH3
  916325.2178  0.0123 -3.7279 3  685.1944380  5951614044743 5 3    4642 5 3      C-13-H3C(O)CH3
  916332.1211  0.0621 -4.8121 3 1434.5197E32  59516140489 882 0    88 881 0      C-13-H3C(O)CH3
  916332.1211  0.0621 -5.2599 3 1434.5197E32  59516140489 782 0    88 881 0      C-13-H3C(O)CH3
  916332.1211  0.0621 -4.8121 3 1434.5197E32  59516140489 782 0    88 781 0      C-13-H3C(O)CH3
  916332.1211  0.0621 -5.2599 3 1434.5197E32  59516140489 882 0    88 781 0      C-13-H3C(O)CH3
  916350.6457  0.0864 -5.8857 3 1434.4941E32  59516140489 882 2    88 881 2      C-13-H3C(O)CH3
  916350.6457  0.0864 -4.7075 3 1434.4941E32  59516140489 782 2    88 881 2      C-13-H3C(O)CH3
  916350.6457  0.0864 -5.8857 3 1434.4941E32  59516140489 782 2    88 781 2      C-13-H3C(O)CH3
  916350.6457  0.0864 -4.7075 3 1434.4941E32  59516140489 882 2    88 781 2      C-13-H3C(O)CH3
  916350.7282  0.0909 -4.6892 3 1434.4942E32  59516140489 882 1    88 781 1      C-13-H3C(O)CH3
  916350.7282  0.0909 -4.6892 3 1434.4942E32  59516140489 782 1    88 881 1      C-13-H3C(O)CH3
  916364.5039  0.0094 -4.0487 3  480.2992696  595161404432420 0    422121 0      C-13-H3C(O)CH3
  916366.6834  0.0123 -3.7279 3  685.1616380  5951614044743 5 4    4642 5 4      C-13-H3C(O)CH3
  916369.2611  0.0546 -5.0397 3 1434.4684716  59516140489 782 3    88 881 3      C-13-H3C(O)CH3
  916369.2611  0.0546 -5.8760 3 1434.4684716  59516140489 782 3    88 781 3      C-13-H3C(O)CH3
  916369.2611  0.0546 -5.8760 3 1434.4684716  59516140489 882 3    88 881 3      C-13-H3C(O)CH3
  916369.2611  0.0546 -5.0397 3 1434.4684716  59516140489 882 3    88 781 3      C-13-H3C(O)CH3
  916369.2702  0.0547 -5.0358 3 1434.4684716  59516140489 882 4    88 881 4      C-13-H3C(O)CH3
  916369.2702  0.0547 -5.9037 3 1434.4684716  59516140489 882 4    88 781 4      C-13-H3C(O)CH3
  916369.2702  0.0547 -5.9037 3 1434.4684716  59516140489 782 4    88 881 4      C-13-H3C(O)CH3
  916369.2702  0.0547 -5.0358 3 1434.4684716  59516140489 782 4    88 781 4      C-13-H3C(O)CH3
  916388.9247  0.0805 -4.6813 3 1386.6981D20  595161404821567 0    811666 0      C-13-H3C(O)CH3
  916388.9247  0.0805 -4.6813 3 1386.6981D20  595161404821667 0    811566 0      C-13-H3C(O)CH3
  916418.6801  0.0133 -4.0485 3  480.2735696  595161404432420 2    422121 2      C-13-H3C(O)CH3
  916420.4279  0.0788 -5.4890 3 1386.7089D20  595161404821567 1    811666 1      C-13-H3C(O)CH3
  916420.4279  0.0788 -4.7545 3 1386.7089D20  595161404821667 1    811666 1      C-13-H3C(O)CH3
  916420.4279  0.0788 -5.4890 3 1386.7089D20  595161404821667 1    811566 1      C-13-H3C(O)CH3
  916420.4279  0.0788 -4.7545 3 1386.7089D20  595161404821567 1    811566 1      C-13-H3C(O)CH3
  916421.4009  0.0809 -4.6857 3 1386.7090D20  595161404821567 2    811566 2      C-13-H3C(O)CH3
  916421.4009  0.0809 -4.6857 3 1386.7090D20  595161404821667 2    811666 2      C-13-H3C(O)CH3
  916443.1967  0.0098 -4.0484 3  480.2770696  595161404432420 1    422121 1      C-13-H3C(O)CH3
  916452.0301  0.0626 -4.3205 3  704.2263412  595161404513219 3    503120 3      C-13-H3C(O)CH3
  916452.9368  0.0728 -5.7232 3 1386.7198660  595161404821667 3    811666 3      C-13-H3C(O)CH3
  916452.9368  0.0728 -5.0691 3 1386.7198660  595161404821667 3    811566 3      C-13-H3C(O)CH3
  916452.9368  0.0728 -5.0691 3 1386.7198660  595161404821567 3    811666 3      C-13-H3C(O)CH3
  916452.9368  0.0728 -5.7232 3 1386.7198660  595161404821567 3    811566 3      C-13-H3C(O)CH3
  916452.9847  0.0728 -5.8332 3 1386.7198660  595161404821567 4    811566 4      C-13-H3C(O)CH3
  916452.9847  0.0728 -5.0480 3 1386.7198660  595161404821667 4    811566 4      C-13-H3C(O)CH3
  916452.9847  0.0728 -5.8332 3 1386.7198660  595161404821667 4    811666 4      C-13-H3C(O)CH3
  916452.9847  0.0728 -5.0480 3 1386.7198660  595161404821567 4    811666 4      C-13-H3C(O)CH3
  916454.4055  0.0163 -5.5717 3  288.2798536  595161404332311 0    321814 0      C-13-H3C(O)CH3
  916482.2857  0.1055 -4.9009 3 1064.1952508  595161404633528 3    623627 3      C-13-H3C(O)CH3
  916485.2021  0.1025 -4.9009 3 1064.1952508  595161404633528 4    623627 4      C-13-H3C(O)CH3
  916497.4627  0.0144 -4.3492 3  480.2513348  595161404432420 4    422121 4      C-13-H3C(O)CH3
  916498.1082  0.0143 -4.3492 3  480.2513348  595161404432420 3    422121 3      C-13-H3C(O)CH3
  916509.0254  0.0932 -4.6307 3 1287.5255B92  595161404742550 0    732549 0      C-13-H3C(O)CH3
  916509.0254  0.0932 -4.6267 3 1287.5255B92  595161404742450 0    732449 0      C-13-H3C(O)CH3
  916519.7694  0.0902 -4.5992 3 1064.1846A16  595161404633528 1    623627 1      C-13-H3C(O)CH3
  916521.8144  0.0952 -4.6304 3 1287.5447B92  595161404742550 1    732449 1      C-13-H3C(O)CH3
  916521.8144  0.0952 -4.6304 3 1287.5447B92  595161404742450 1    732549 1      C-13-H3C(O)CH3
  916524.5868  0.0962 -4.6562 3 1287.5461B92  595161404742550 2    732549 2      C-13-H3C(O)CH3
  916524.5868  0.0962 -5.8062 3 1287.5461B92  595161404742550 2    732449 2      C-13-H3C(O)CH3
  916524.5868  0.0962 -5.8062 3 1287.5461B92  595161404742450 2    732549 2      C-13-H3C(O)CH3
  916524.5868  0.0962 -4.6562 3 1287.5461B92  595161404742450 2    732449 2      C-13-H3C(O)CH3
  916537.3992  0.0793 -5.4828 3 1287.5653596  595161404742550 3    732549 3      C-13-H3C(O)CH3
  916537.3992  0.0793 -5.0692 3 1287.5653596  595161404742450 3    732549 3      C-13-H3C(O)CH3
  916537.3992  0.0793 -5.4828 3 1287.5653596  595161404742450 3    732449 3      C-13-H3C(O)CH3
  916537.3992  0.0793 -5.0692 3 1287.5653596  595161404742550 3    732449 3      C-13-H3C(O)CH3
  916537.4239  0.0793 -4.9616 3 1287.5653596  595161404742450 4    732449 4      C-13-H3C(O)CH3
  916537.4239  0.0793 -4.9282 3 1287.5653596  595161404742550 4    732449 4      C-13-H3C(O)CH3
  916562.2588  0.1152 -4.5991 3 1064.1864A16  595161404633528 2    623627 2      C-13-H3C(O)CH3
  916595.2164  0.0920 -4.5985 3 1064.1759A16  595161404633528 0    623627 0      C-13-H3C(O)CH3
  916596.5804  0.0547 -4.0237 3  704.2252824  595161404513219 2    503120 2      C-13-H3C(O)CH3
  916632.8798  0.0389 -4.0235 3  704.2257824  595161404513219 1    503120 1      C-13-H3C(O)CH3
  916640.4172  0.0487 -4.3278 3  704.2240412  595161404513219 4    503120 4      C-13-H3C(O)CH3
  916656.7002  0.0182 -5.6024 3  288.2530536  595161404332311 2    321814 2      C-13-H3C(O)CH3
  916689.8551  0.0396 -4.0242 3  704.2259824  595161404513219 0    503120 0      C-13-H3C(O)CH3
  916820.1902  0.0091 -4.7156 3  313.6970308  595161404381227 4    37 928 4      C-13-H3C(O)CH3
  916820.1902  0.0091 -4.7156 3  313.6970308  595161404381127 4    371028 4      C-13-H3C(O)CH3
  916820.1902  0.0091 -5.1897 3  313.6970308  595161404381127 4    37 928 4      C-13-H3C(O)CH3
  916820.1902  0.0091 -5.1897 3  313.6970308  595161404381227 4    371028 4      C-13-H3C(O)CH3
  916820.7226  0.0085 -4.6090 3  313.6970308  595161404381227 3    37 928 3      C-13-H3C(O)CH3
  916820.7226  0.0085 -5.9553 3  313.6970308  595161404381227 3    371028 3      C-13-H3C(O)CH3
  916820.7226  0.0085 -4.6090 3  313.6970308  595161404381127 3    371028 3      C-13-H3C(O)CH3
  916820.7226  0.0085 -5.9553 3  313.6970308  595161404381127 3    37 928 3      C-13-H3C(O)CH3
  916990.6861  0.0083 -5.1558 3  313.7156616  595161404381227 2    37 928 2      C-13-H3C(O)CH3
  916990.6861  0.0083 -4.3521 3  313.7156616  595161404381227 2    371028 2      C-13-H3C(O)CH3
  916990.6861  0.0083 -5.4499 3  313.7156616  595161404381127 2    37 928 2      C-13-H3C(O)CH3
  916990.6861  0.0083 -4.3198 3  313.7156616  595161404381127 2    371028 2      C-13-H3C(O)CH3
  916997.6874  0.0084 -4.3271 3  313.7166616  595161404381227 1    37 928 1      C-13-H3C(O)CH3
  916997.6874  0.0084 -5.3625 3  313.7166616  595161404381227 1    371028 1      C-13-H3C(O)CH3
  916997.6874  0.0084 -5.3625 3  313.7166616  595161404381127 1    37 928 1      C-13-H3C(O)CH3
  916997.6874  0.0084 -4.3271 3  313.7166616  595161404381127 1    371028 1      C-13-H3C(O)CH3
  917167.3767  0.0076 -4.3513 3  313.7351616  595161404381127 0    371028 0      C-13-H3C(O)CH3
  917167.3767  0.0076 -5.1604 3  313.7351616  595161404381127 0    37 928 0      C-13-H3C(O)CH3
  917167.3767  0.0076 -5.1604 3  313.7351616  595161404381227 0    371028 0      C-13-H3C(O)CH3
  917167.3767  0.0076 -4.3513 3  313.7351616  595161404381227 0    37 928 0      C-13-H3C(O)CH3
  917296.2438  1.1376 -5.6186 3 1220.7029540  595161404674027 3    664126 3      C-13-H3C(O)CH3
  917327.3146  1.0882 -5.6193 3 1220.7020540  595161404674027 4    664126 4      C-13-H3C(O)CH3
  917365.4270  0.1232 -4.2470 3  819.3411888  595161404553422 0    543321 0      C-13-H3C(O)CH3
  917437.6659  0.0961 -4.6462 3 1304.1450C08  595161404752452 0    742451 0      C-13-H3C(O)CH3
  917437.6659  0.0961 -4.6462 3 1304.1450C08  595161404752352 0    742351 0      C-13-H3C(O)CH3
  917451.6806  0.0983 -4.6624 3 1304.1641C08  595161404752352 1    742451 1      C-13-H3C(O)CH3
  917451.6806  0.0983 -5.9252 3 1304.1641C08  595161404752352 1    742351 1      C-13-H3C(O)CH3
  917451.6806  0.0983 -4.6624 3 1304.1641C08  595161404752452 1    742351 1      C-13-H3C(O)CH3
  917451.6806  0.0983 -5.9252 3 1304.1641C08  595161404752452 1    742451 1      C-13-H3C(O)CH3
  917454.4587  0.0994 -4.7452 3 1304.1654C08  595161404752452 2    742351 2      C-13-H3C(O)CH3
  917454.4587  0.0994 -5.3040 3 1304.1654C08  595161404752452 2    742451 2      C-13-H3C(O)CH3
  917454.4587  0.0994 -4.6432 3 1304.1654C08  595161404752352 2    742451 2      C-13-H3C(O)CH3
  917468.4977  0.0808 -4.9408 3 1304.1846604  595161404752452 3    742451 3      C-13-H3C(O)CH3
  917468.4977  0.0808 -4.9408 3 1304.1846604  595161404752352 3    742351 3      C-13-H3C(O)CH3
  917468.5247  0.0808 -5.5367 3 1304.1847604  595161404752452 4    742351 4      C-13-H3C(O)CH3
  917468.5247  0.0808 -5.0672 3 1304.1847604  595161404752452 4    742451 4      C-13-H3C(O)CH3
  917468.5247  0.0808 -5.0672 3 1304.1847604  595161404752352 4    742351 4      C-13-H3C(O)CH3
  917468.5247  0.0808 -5.5367 3 1304.1847604  595161404752352 4    742451 4      C-13-H3C(O)CH3
  917499.3315  0.0193 -5.4454 3  322.9878276  5951614043427 8 4    3324 9 4      C-13-H3C(O)CH3
  917502.2681  0.0175 -5.4304 3  322.9917276  5951614043427 8 3    3324 9 3      C-13-H3C(O)CH3
  917519.9188  0.0755 -5.2025 3 1398.3624D36  595161404831469 0    821568 0      C-13-H3C(O)CH3
  917519.9188  0.0755 -4.8488 3 1398.3624D36  595161404831569 0    821568 0      C-13-H3C(O)CH3
  917519.9188  0.0755 -5.2025 3 1398.3624D36  595161404831569 0    821468 0      C-13-H3C(O)CH3
  917519.9188  0.0755 -4.8488 3 1398.3624D36  595161404831469 0    821468 0      C-13-H3C(O)CH3
  917553.0580  0.0736 -4.7073 3 1398.3707D36  595161404831569 1    821568 1      C-13-H3C(O)CH3
  917553.0580  0.0736 -4.7073 3 1398.3707D36  595161404831469 1    821468 1      C-13-H3C(O)CH3
  917553.7205  0.0751 -4.6996 3 1398.3707D36  595161404831569 2    821468 2      C-13-H3C(O)CH3
  917553.7205  0.0751 -4.6996 3 1398.3707D36  595161404831469 2    821568 2      C-13-H3C(O)CH3
  917572.8055  0.0605 -4.7794 3 1441.8894E48  59516140490 784 0    89 783 0      C-13-H3C(O)CH3
  917572.8055  0.0605 -5.3791 3 1441.8894E48  59516140490 784 0    89 683 0      C-13-H3C(O)CH3
  917572.8055  0.0605 -4.7794 3 1441.8894E48  59516140490 684 0    89 683 0      C-13-H3C(O)CH3
  917572.8055  0.0605 -5.3791 3 1441.8894E48  59516140490 684 0    89 783 0      C-13-H3C(O)CH3
  917583.4404  0.0884 -5.3614 3 1441.8590E48  59516140490 784 1    89 783 1      C-13-H3C(O)CH3
  917583.4404  0.0884 -4.7839 3 1441.8590E48  59516140490 684 1    89 783 1      C-13-H3C(O)CH3
  917583.4404  0.0884 -4.7839 3 1441.8590E48  59516140490 784 1    89 683 1      C-13-H3C(O)CH3
  917583.4404  0.0884 -5.3614 3 1441.8590E48  59516140490 684 1    89 683 1      C-13-H3C(O)CH3
  917583.4716  0.0851 -4.6893 3 1441.8589E48  59516140490 684 2    89 783 2      C-13-H3C(O)CH3
  917583.4716  0.0851 -4.6893 3 1441.8589E48  59516140490 784 2    89 683 2      C-13-H3C(O)CH3
  917586.8918  0.0709 -5.0350 3 1398.3789668  595161404831569 3    821568 3      C-13-H3C(O)CH3
  917586.8918  0.0709 -6.0031 3 1398.3789668  595161404831469 3    821568 3      C-13-H3C(O)CH3
  917586.8918  0.0709 -5.0350 3 1398.3789668  595161404831469 3    821468 3      C-13-H3C(O)CH3
  917586.8918  0.0709 -6.0031 3 1398.3789668  595161404831569 3    821468 3      C-13-H3C(O)CH3
  917586.9408  0.0709 -5.3234 3 1398.3789668  595161404831569 4    821568 4      C-13-H3C(O)CH3
  917586.9408  0.0709 -5.3234 3 1398.3789668  595161404831469 4    821468 4      C-13-H3C(O)CH3
  917586.9408  0.0709 -5.2620 3 1398.3789668  595161404831469 4    821568 4      C-13-H3C(O)CH3
  917586.9408  0.0709 -5.2620 3 1398.3789668  595161404831569 4    821468 4      C-13-H3C(O)CH3
  917594.1059  0.0510 -4.9998 3 1441.8284724  59516140490 784 4    89 783 4      C-13-H3C(O)CH3
  917594.1059  0.0510 -4.9998 3 1441.8284724  59516140490 684 4    89 683 4      C-13-H3C(O)CH3
  917594.1146  0.0509 -4.9969 3 1441.8284724  59516140490 684 3    89 683 3      C-13-H3C(O)CH3
  917594.1146  0.0509 -4.9969 3 1441.8284724  59516140490 784 3    89 783 3      C-13-H3C(O)CH3
  917601.2151  0.2864 -5.0093 3 1070.0573508  595161404633627 3    623726 3      C-13-H3C(O)CH3
  917611.0258  0.2769 -5.0093 3 1070.0570508  595161404633627 4    623726 4      C-13-H3C(O)CH3
  917628.1957  0.0160 -5.1340 3  323.0098552  5951614043427 8 1    3324 9 1      C-13-H3C(O)CH3
  917671.7717  1.2044 -5.8332 3 1416.4330B60  595161404724428 1    714527 1      C-13-H3C(O)CH3
  917711.2330  0.0137 -5.6597 3  388.4156616  595161404382613 1    372315 1      C-13-H3C(O)CH3
  917715.9291  0.0217 -5.4717 3  388.3916308  595161404382613 4    372315 4      C-13-H3C(O)CH3
  917817.4974  0.0060 -3.4870 3  690.9989776 -5951614044841 7 0    4740 8 0      C-13-H3C(O)CH3
  917817.4974  0.0060 -3.4870 3  690.9989776 -5951614044841 8 0    4740 7 0      C-13-H3C(O)CH3
  917840.2851  0.0077 -3.4870 3  691.0160776 -5951614044841 7 2    4740 7 2      C-13-H3C(O)CH3
  917886.2222  0.0189 -5.2656 3  388.4124616  595161404382613 2    372315 2      C-13-H3C(O)CH3
  917887.8121  0.0071 -3.4869 3  691.0261776 -5951614044841 7 1    4740 7 1      C-13-H3C(O)CH3
  917906.6485  0.2417 -4.7067 3 1070.0451A16  595161404633627 1    623726 1      C-13-H3C(O)CH3
  917907.7371  0.0175 -5.4324 3  322.9803276  5951614043427 7 3    332410 3      C-13-H3C(O)CH3
  917908.0079  0.0072 -3.4870 3  691.0007776 -5951614044841 8 2    4740 8 2      C-13-H3C(O)CH3
  917909.4649  0.0190 -5.4417 3  322.9842276  5951614043427 7 4    332410 4      C-13-H3C(O)CH3
  917910.1097  0.0115 -3.7880 3  691.0430388  5951614044841 7 4    4740 7 4      C-13-H3C(O)CH3
  917923.7509  0.0159 -5.1402 3  323.0206552  5951614043427 7 2    3324 9 2      C-13-H3C(O)CH3
  917933.2825  0.0158 -5.1430 3  323.0164552  5951614043427 8 2    332410 2      C-13-H3C(O)CH3
  917966.4150  0.0069 -3.4869 3  690.9921776 -5951614044841 8 1    4740 8 1      C-13-H3C(O)CH3
  917977.7562  0.0104 -3.7880 3  691.0279388  5951614044841 7 3    4740 7 3      C-13-H3C(O)CH3
  917988.5383  0.0108 -3.7880 3  691.0091388  5951614044841 8 3    4740 8 3      C-13-H3C(O)CH3
  918024.7027  0.3250 -4.7062 3 1070.0463A16  595161404633627 2    623726 2      C-13-H3C(O)CH3
  918030.5880  0.0157 -5.1330 3  323.0024552  5951614043427 7 1    332410 1      C-13-H3C(O)CH3
  918038.0212  0.0157 -5.1332 3  323.0389552  5951614043427 8 0    3324 9 0      C-13-H3C(O)CH3
  918039.0683  0.0223 -5.8069 3  388.3919308  595161404382613 3    372315 3      C-13-H3C(O)CH3
  918056.8212  0.0103 -3.7879 3  690.9939388  5951614044841 8 4    4740 8 4      C-13-H3C(O)CH3
  918067.3331  0.1051 -4.2451 3  819.3275888  595161404553422 1    543321 1      C-13-H3C(O)CH3
  918074.6741  0.0156 -5.1332 3  323.0377552  5951614043427 7 0    332410 0      C-13-H3C(O)CH3
  918120.2217  0.0187 -6.0132 3  734.2070840  595161404523320 1    513220 1      C-13-H3C(O)CH3
  918144.6814  0.0166 -5.7973 3  734.2075840  595161404523320 2    513220 2      C-13-H3C(O)CH3
  918185.9994  0.9050 -5.3158 3 1220.6801A80  595161404674027 1    664126 1      C-13-H3C(O)CH3
  918195.8000  0.1608 -4.2449 3  819.3233888  595161404553422 2    543321 2      C-13-H3C(O)CH3
  918240.0685  1.6664 -5.8322 3 1416.4230B60  595161404724428 2    714527 2      C-13-H3C(O)CH3
  918244.5449  0.0185 -5.6006 3  734.2101420  595161404523320 4    513220 4      C-13-H3C(O)CH3
  918269.7778  0.0131 -4.6963 3  388.4361616  595161404382612 0    372315 0      C-13-H3C(O)CH3
  918317.7162  0.2581 -4.7047 3 1070.0344A16  595161404633627 0    623726 0      C-13-H3C(O)CH3
  918321.8603  0.0956 -5.8700 3  719.7942824  595161404513517 2    503416 2      C-13-H3C(O)CH3
  918342.0691  0.0172 -4.7450 3  388.4156616  595161404382612 1    372315 1      C-13-H3C(O)CH3
  918404.5081  0.0983 -4.6555 3 1320.2050C24  595161404762354 0    752353 0      C-13-H3C(O)CH3
  918404.5081  0.0983 -4.6555 3 1320.2050C24  595161404762254 0    752253 0      C-13-H3C(O)CH3
  918420.0368  0.1007 -4.6674 3 1320.2241C24  595161404762254 1    752353 1      C-13-H3C(O)CH3
  918420.0368  0.1007 -4.6674 3 1320.2241C24  595161404762354 1    752253 1      C-13-H3C(O)CH3
  918422.7710  0.1018 -5.2223 3 1320.2252C24  595161404762354 2    752353 2      C-13-H3C(O)CH3
  918422.7710  0.1018 -4.7275 3 1320.2252C24  595161404762354 2    752253 2      C-13-H3C(O)CH3
  918422.7710  0.1018 -4.7879 3 1320.2252C24  595161404762254 2    752353 2      C-13-H3C(O)CH3
  918422.7710  0.1018 -5.4488 3 1320.2252C24  595161404762254 2    752253 2      C-13-H3C(O)CH3
  918438.3252  0.0819 -5.0946 3 1320.2443612  595161404762354 3    752353 3      C-13-H3C(O)CH3
  918438.3252  0.0819 -4.9887 3 1320.2443612  595161404762254 3    752253 3      C-13-H3C(O)CH3
  918438.3252  0.0819 -5.5086 3 1320.2443612  595161404762354 3    752253 3      C-13-H3C(O)CH3
  918438.3545  0.0819 -4.9608 3 1320.2443612  595161404762354 4    752353 4      C-13-H3C(O)CH3
  918438.3545  0.0819 -4.9608 3 1320.2443612  595161404762254 4    752253 4      C-13-H3C(O)CH3
  918568.0653  0.0748 -5.6546 3  719.7795824  595161404513517 1    503416 1      C-13-H3C(O)CH3
  918586.2588  0.0121 -4.9149 3  275.0418300  59516140437 829 4    36 730 4      C-13-H3C(O)CH3
  918586.2588  0.0121 -4.9149 3  275.0418300  59516140437 929 4    36 630 4      C-13-H3C(O)CH3
  918586.2588  0.0121 -5.3894 3  275.0418300  59516140437 929 4    36 730 4      C-13-H3C(O)CH3
  918586.2588  0.0121 -5.3894 3  275.0418300  59516140437 829 4    36 630 4      C-13-H3C(O)CH3
  918586.8271  0.0109 -5.2183 3  275.0418300  59516140437 829 3    36 730 3      C-13-H3C(O)CH3
  918586.8271  0.0109 -4.9916 3  275.0418300  59516140437 829 3    36 630 3      C-13-H3C(O)CH3
  918586.8271  0.0109 -4.9916 3  275.0418300  59516140437 929 3    36 730 3      C-13-H3C(O)CH3
  918586.8271  0.0109 -5.2183 3  275.0418300  59516140437 929 3    36 630 3      C-13-H3C(O)CH3
  918657.7090  1.2501 -5.3147 3 1220.6776A80  595161404674027 2    664126 2      C-13-H3C(O)CH3
  918665.1851  0.0704 -4.7015 3 1409.4911D52  595161404841371 0    831370 0      C-13-H3C(O)CH3
  918665.1851  0.0704 -4.7015 3 1409.4911D52  595161404841471 0    831470 0      C-13-H3C(O)CH3
  918699.4979  0.0697 -4.7109 3 1409.4962D52  595161404841471 1    831470 1      C-13-H3C(O)CH3
  918699.4979  0.0697 -4.7109 3 1409.4962D52  595161404841371 1    831370 1      C-13-H3C(O)CH3
  918699.8714  0.0700 -4.7154 3 1409.4961D52  595161404841371 2    831370 2      C-13-H3C(O)CH3
  918699.8714  0.0700 -4.7676 3 1409.4961D52  595161404841471 2    831470 2      C-13-H3C(O)CH3
  918699.8714  0.0700 -5.5233 3 1409.4961D52  595161404841471 2    831370 2      C-13-H3C(O)CH3
  918734.2148  0.0690 -5.0987 3 1409.5012676  595161404841371 3    831470 3      C-13-H3C(O)CH3
  918734.2148  0.0690 -5.6841 3 1409.5012676  595161404841371 3    831370 3      C-13-H3C(O)CH3
  918734.2148  0.0690 -5.6841 3 1409.5012676  595161404841471 3    831470 3      C-13-H3C(O)CH3
  918734.2148  0.0690 -5.0987 3 1409.5012676  595161404841471 3    831370 3      C-13-H3C(O)CH3
  918734.2642  0.0690 -5.0256 3 1409.5012676  595161404841471 4    831370 4      C-13-H3C(O)CH3
  918734.2642  0.0690 -5.0256 3 1409.5012676  595161404841371 4    831470 4      C-13-H3C(O)CH3
  918737.5300  0.0253 -5.0695 3  388.3919308  595161404382612 3    372315 3      C-13-H3C(O)CH3
  918772.5783  1.2622 -5.8319 3 1416.4008B60  595161404724428 0    714527 0      C-13-H3C(O)CH3
  918827.8316  0.0547 -4.7072 3 1448.7292E64  59516140491 586 0    90 685 0      C-13-H3C(O)CH3
  918827.8316  0.0547 -5.9596 3 1448.7292E64  59516140491 686 0    90 685 0      C-13-H3C(O)CH3
  918827.8316  0.0547 -4.7072 3 1448.7292E64  59516140491 686 0    90 585 0      C-13-H3C(O)CH3
  918827.8316  0.0547 -5.9596 3 1448.7292E64  59516140491 586 0    90 585 0      C-13-H3C(O)CH3
  918829.1522  0.0784 -4.6861 3 1448.6956E64  59516140491 586 1    90 685 1      C-13-H3C(O)CH3
  918829.1522  0.0784 -4.6861 3 1448.6956E64  59516140491 686 1    90 585 1      C-13-H3C(O)CH3
  918829.2682  0.0765 -4.6877 3 1448.6955E64  59516140491 586 2    90 685 2      C-13-H3C(O)CH3
  918829.2682  0.0765 -4.6877 3 1448.6955E64  59516140491 686 2    90 585 2      C-13-H3C(O)CH3
  918830.5718  0.0453 -5.3618 3 1448.6619732  59516140491 586 4    90 685 4      C-13-H3C(O)CH3
  918830.5718  0.0453 -5.2205 3 1448.6619732  59516140491 586 4    90 585 4      C-13-H3C(O)CH3
  918830.5718  0.0453 -5.3618 3 1448.6619732  59516140491 686 4    90 585 4      C-13-H3C(O)CH3
  918830.5718  0.0453 -5.2205 3 1448.6619732  59516140491 686 4    90 685 4      C-13-H3C(O)CH3
  918830.5986  0.0453 -4.9848 3 1448.6619732  59516140491 686 3    90 585 3      C-13-H3C(O)CH3
  918830.5986  0.0453 -4.9848 3 1448.6619732  59516140491 586 3    90 685 3      C-13-H3C(O)CH3
  918840.3220  0.1303 -4.5452 3  819.3107444  595161404553422 4    543321 4      C-13-H3C(O)CH3
  918897.9394  0.0267 -4.8333 3  388.4124616  595161404382612 2    372315 2      C-13-H3C(O)CH3
  918935.4182  0.0091 -4.6230 3  275.0452600  59516140437 929 2    36 730 2      C-13-H3C(O)CH3
  918935.4182  0.0091 -5.0604 3  275.0452600  59516140437 929 2    36 630 2      C-13-H3C(O)CH3
  918935.4182  0.0091 -5.0604 3  275.0452600  59516140437 829 2    36 730 2      C-13-H3C(O)CH3
  918935.4182  0.0091 -4.6230 3  275.0452600  59516140437 829 2    36 630 2      C-13-H3C(O)CH3
  918940.7467  0.0097 -4.5570 3  275.0459600  59516140437 929 1    36 630 1      C-13-H3C(O)CH3
  918940.7467  0.0097 -5.3200 3  275.0459600  59516140437 929 1    36 730 1      C-13-H3C(O)CH3
  918940.7467  0.0097 -4.5570 3  275.0459600  59516140437 829 1    36 730 1      C-13-H3C(O)CH3
  918940.7467  0.0097 -5.3200 3  275.0459600  59516140437 829 1    36 630 1      C-13-H3C(O)CH3
  918942.1411  0.1523 -4.5429 3  819.3093444  595161404553422 3    543321 3      C-13-H3C(O)CH3
  919077.4731  0.0330 -5.1735 3  388.3916308  595161404382612 4    372315 4      C-13-H3C(O)CH3
  919222.1091  0.0181 -5.8669 3  272.2078520  595161404322310 0    311813 0      C-13-H3C(O)CH3
  919235.1524  0.0074 -3.5595 3  698.5762792 -595161404493910 2    483810 2      C-13-H3C(O)CH3
  919239.1129  0.0057 -3.5593 3  698.5478792 -595161404493910 0    483811 0      C-13-H3C(O)CH3
  919239.1129  0.0057 -3.5593 3  698.5478792 -595161404493911 0    483810 0      C-13-H3C(O)CH3
  919286.5318  0.0107 -3.8606 3  698.6005396  595161404493910 4    483810 4      C-13-H3C(O)CH3
  919288.7031  0.0088 -5.1488 3  275.0493600  59516140437 829 0    36 730 0      C-13-H3C(O)CH3
  919288.7031  0.0088 -4.5943 3  275.0493600  59516140437 829 0    36 630 0      C-13-H3C(O)CH3
  919288.7031  0.0088 -4.5943 3  275.0493600  59516140437 929 0    36 730 0      C-13-H3C(O)CH3
  919288.7031  0.0088 -5.1488 3  275.0493600  59516140437 929 0    36 630 0      C-13-H3C(O)CH3
  919288.7885  0.0094 -3.7764 3  719.7474824 -595161404513517 0    503416 0      C-13-H3C(O)CH3
  919290.8581  0.0067 -3.5593 3  698.5722792 -595161404493910 1    483810 1      C-13-H3C(O)CH3
  919343.8729  0.0068 -3.5594 3  698.5640792 -595161404493911 2    483811 2      C-13-H3C(O)CH3
  919361.7629  0.0200 -5.8685 3  272.1827520  595161404322310 2    311813 2      C-13-H3C(O)CH3
  919366.4305  0.0099 -3.8605 3  698.5761396  595161404493911 3    483811 3      C-13-H3C(O)CH3
  919370.3455  0.0067 -3.5593 3  698.5476792 -595161404493911 1    483811 1      C-13-H3C(O)CH3
  919395.7395  0.0093 -3.8604 3  698.5885396  595161404493910 3    483810 3      C-13-H3C(O)CH3
  919395.9782  0.1101 -4.9230 3  719.7958412  595161404513517 3    503416 3      C-13-H3C(O)CH3
  919403.1020  0.0997 -4.6648 3 1335.7101C40  595161404772256 0    762155 0      C-13-H3C(O)CH3
  919403.1020  0.0997 -4.6648 3 1335.7101C40  595161404772156 0    762255 0      C-13-H3C(O)CH3
  919404.6259  0.0135 -4.8271 3  380.8056616  595161404382414 0    372117 0      C-13-H3C(O)CH3
  919420.4000  0.1021 -6.0081 3 1335.7289C40  595161404772156 1    762155 1      C-13-H3C(O)CH3
  919420.4000  0.1021 -4.6664 3 1335.7289C40  595161404772256 1    762155 1      C-13-H3C(O)CH3
  919420.4000  0.1021 -4.6845 3 1335.7289C40  595161404772156 1    762255 1      C-13-H3C(O)CH3
  919423.0378  0.1035 -5.0319 3 1335.7300C40  595161404772256 2    762255 2      C-13-H3C(O)CH3
  919423.0378  0.1035 -4.9076 3 1335.7300C40  595161404772256 2    762155 2      C-13-H3C(O)CH3
  919423.0378  0.1035 -4.9076 3 1335.7300C40  595161404772156 2    762255 2      C-13-H3C(O)CH3
  919423.0378  0.1035 -5.0319 3 1335.7300C40  595161404772156 2    762155 2      C-13-H3C(O)CH3
  919440.3625  0.0826 -5.2732 3 1335.7487620  595161404772156 3    762255 3      C-13-H3C(O)CH3
  919440.3625  0.0826 -5.2597 3 1335.7487620  595161404772156 3    762155 3      C-13-H3C(O)CH3
  919440.3625  0.0826 -5.2597 3 1335.7487620  595161404772256 3    762255 3      C-13-H3C(O)CH3
  919440.3625  0.0826 -5.2732 3 1335.7487620  595161404772256 3    762155 3      C-13-H3C(O)CH3
  919440.3943  0.0826 -5.1349 3 1335.7488620  595161404772156 4    762255 4      C-13-H3C(O)CH3
  919440.3943  0.0826 -5.4559 3 1335.7488620  595161404772156 4    762155 4      C-13-H3C(O)CH3
  919440.3943  0.0826 -5.0340 3 1335.7488620  595161404772256 4    762155 4      C-13-H3C(O)CH3
  919440.3943  0.0826 -5.8005 3 1335.7488620  595161404772256 4    762255 4      C-13-H3C(O)CH3
  919472.3336  0.0151 -4.8252 3  380.7773616  595161404382414 2    372117 2      C-13-H3C(O)CH3
  919475.8967  0.0094 -3.8604 3  698.5638396  595161404493911 4    483811 4      C-13-H3C(O)CH3
  919475.9335  0.0098 -3.7799 3  719.7942824 -595161404513516 2    503416 2      C-13-H3C(O)CH3
  919487.8556  0.0097 -3.7822 3  719.7795824 -595161404513516 1    503416 1      C-13-H3C(O)CH3
  919517.5846  0.0093 -3.7763 3  719.7421824  595161404513516 0    503417 0      C-13-H3C(O)CH3
  919528.7258  0.0140 -4.8266 3  380.7830616  595161404382414 1    372117 1      C-13-H3C(O)CH3
  919531.6226  0.9702 -5.3125 3 1220.6554A80  595161404674027 0    664126 0      C-13-H3C(O)CH3
  919567.5318  0.0141 -4.0785 3  719.8287412  595161404513516 4    503416 4      C-13-H3C(O)CH3
  919576.2711  0.0193 -5.9736 3  235.7444292  59516140436 531 4    35 332 4      C-13-H3C(O)CH3
  919576.2711  0.0193 -5.9736 3  235.7444292  59516140436 631 4    35 432 4      C-13-H3C(O)CH3
  919576.2711  0.0193 -5.2115 3  235.7444292  59516140436 531 4    35 432 4      C-13-H3C(O)CH3
  919576.2711  0.0193 -5.2115 3  235.7444292  59516140436 631 4    35 332 4      C-13-H3C(O)CH3
  919576.4815  0.0175 -5.1450 3  235.7444292  59516140436 531 3    35 432 3      C-13-H3C(O)CH3
  919576.4815  0.0175 -5.1450 3  235.7444292  59516140436 631 3    35 332 3      C-13-H3C(O)CH3
  919582.5219  0.0095 -3.7818 3  719.7457824 -595161404513517 1    503417 1      C-13-H3C(O)CH3
  919590.8577  0.0169 -5.1254 3  380.7547308  595161404382414 3    372117 3      C-13-H3C(O)CH3
  919600.2208  0.0154 -5.1258 3  380.7547308  595161404382414 4    372117 4      C-13-H3C(O)CH3
  919621.9824  0.0097 -3.7792 3  719.7508824 -595161404513517 2    503417 2      C-13-H3C(O)CH3
  919639.8980  0.0156 -4.1438 3  719.7958412  595161404513516 3    503416 3      C-13-H3C(O)CH3
  919722.5355  0.0152 -4.1435 3  719.7849412  595161404513517 3    503417 3      C-13-H3C(O)CH3
  919794.9651  0.0133 -4.0774 3  719.7521412  595161404513517 4    503417 4      C-13-H3C(O)CH3
  919824.4028  0.0660 -4.7108 3 1420.0855D68  595161404851373 0    841272 0      C-13-H3C(O)CH3
  919824.4028  0.0660 -4.7108 3 1420.0855D68  595161404851273 0    841372 0      C-13-H3C(O)CH3
  919859.2315  0.0685 -4.7427 3 1420.0869D68  595161404851373 1    841372 1      C-13-H3C(O)CH3
  919859.2315  0.0685 -5.7802 3 1420.0869D68  595161404851373 1    841272 1      C-13-H3C(O)CH3
  919859.2315  0.0685 -5.7802 3 1420.0869D68  595161404851273 1    841372 1      C-13-H3C(O)CH3
  919859.2315  0.0685 -4.7427 3 1420.0869D68  595161404851273 1    841272 1      C-13-H3C(O)CH3
  919859.3561  0.0670 -5.6253 3 1420.0867D68  595161404851273 2    841372 2      C-13-H3C(O)CH3
  919859.3561  0.0670 -4.7601 3 1420.0867D68  595161404851273 2    841272 2      C-13-H3C(O)CH3
  919859.3561  0.0670 -5.6253 3 1420.0867D68  595161404851373 2    841272 2      C-13-H3C(O)CH3
  919859.3561  0.0670 -4.7601 3 1420.0867D68  595161404851373 2    841372 2      C-13-H3C(O)CH3
  919894.2128  0.0671 -5.8850 3 1420.0880684  595161404851373 3    841272 3      C-13-H3C(O)CH3
  919894.2128  0.0671 -5.0671 3 1420.0880684  595161404851273 3    841272 3      C-13-H3C(O)CH3
  919894.2128  0.0671 -5.0671 3 1420.0880684  595161404851373 3    841372 3      C-13-H3C(O)CH3
  919894.2128  0.0671 -5.8850 3 1420.0880684  595161404851273 3    841372 3      C-13-H3C(O)CH3
  919894.2616  0.0671 -5.1492 3 1420.0880684  595161404851373 4    841372 4      C-13-H3C(O)CH3
  919894.2616  0.0671 -5.1492 3 1420.0880684  595161404851273 4    841272 4      C-13-H3C(O)CH3
  919894.2616  0.0671 -5.5561 3 1420.0880684  595161404851373 4    841272 4      C-13-H3C(O)CH3
  919894.2616  0.0671 -5.5561 3 1420.0880684  595161404851273 4    841372 4      C-13-H3C(O)CH3
  919966.4552  0.1118 -4.9226 3  719.7849412  595161404513516 3    503417 3      C-13-H3C(O)CH3
  920023.1291  0.0067 -3.6505 3  708.0205808 -595161404503713 0    493614 0      C-13-H3C(O)CH3
  920023.1291  0.0067 -3.6505 3  708.0205808 -595161404503714 0    493613 0      C-13-H3C(O)CH3
  920032.8235  0.0074 -3.6508 3  708.0636808 -595161404503713 2    493613 2      C-13-H3C(O)CH3
  920049.1110  0.0077 -4.1145 3  382.1790648  595161404401624 2    391525 2      C-13-H3C(O)CH3
  920049.1132  0.0077 -4.1145 3  382.1790648  595161404401724 2    391425 2      C-13-H3C(O)CH3
  920053.2490  0.0064 -4.1146 3  382.2079648  595161404401624 0    391525 0      C-13-H3C(O)CH3
  920053.2509  0.0064 -4.1146 3  382.2079648  595161404401724 0    391425 0      C-13-H3C(O)CH3
  920054.5157  0.0084 -4.4153 3  382.1518324  595161404401624 4    391525 4      C-13-H3C(O)CH3
  920054.5181  0.0084 -4.4153 3  382.1518324  595161404401724 4    391425 4      C-13-H3C(O)CH3
  920054.7458  0.0084 -4.4153 3  382.1518324  595161404401624 3    391525 3      C-13-H3C(O)CH3
  920054.7481  0.0084 -4.4153 3  382.1518324  595161404401724 3    391425 3      C-13-H3C(O)CH3
  920058.8412  0.0075 -4.1145 3  382.1807648  595161404401624 1    391525 1      C-13-H3C(O)CH3
  920058.8433  0.0075 -4.1145 3  382.1807648  595161404401724 1    391425 1      C-13-H3C(O)CH3
  920074.6452  0.0075 -3.6506 3  708.0500808 -595161404503713 1    493613 1      C-13-H3C(O)CH3
  920079.3386  0.0200 -3.3730 3  690.0007744  5951614044646 0 0    4545 1 0      C-13-H3C(O)CH3
  920079.3386  0.0200 -3.3730 3  690.0007744  5951614044646 1 0    4545 0 0      C-13-H3C(O)CH3
  920079.4301  0.0375 -5.0946 3 1454.9708740  59516140492 588 4    91 487 4      C-13-H3C(O)CH3
  920079.4301  0.0375 -5.6371 3 1454.9708740  59516140492 588 4    91 587 4      C-13-H3C(O)CH3
  920079.4301  0.0375 -5.6371 3 1454.9708740  59516140492 488 4    91 487 4      C-13-H3C(O)CH3
  920079.4301  0.0375 -5.0946 3 1454.9708740  59516140492 488 4    91 587 4      C-13-H3C(O)CH3
  920079.4694  0.0375 -5.0361 3 1454.9708740  59516140492 588 3    91 587 3      C-13-H3C(O)CH3
  920079.4694  0.0375 -5.9411 3 1454.9708740  59516140492 588 3    91 487 3      C-13-H3C(O)CH3
  920079.4694  0.0375 -5.9411 3 1454.9708740  59516140492 488 3    91 587 3      C-13-H3C(O)CH3
  920079.4694  0.0375 -5.0361 3 1454.9708740  59516140492 488 3    91 487 3      C-13-H3C(O)CH3
  920084.5482  0.0101 -3.9519 3  708.0930404  595161404503713 4    493613 4      C-13-H3C(O)CH3
  920087.8897  0.0603 -4.7073 3 1455.0047E80  59516140492 488 1    91 487 1      C-13-H3C(O)CH3
  920087.8897  0.0603 -5.9687 3 1455.0047E80  59516140492 588 1    91 487 1      C-13-H3C(O)CH3
  920087.8897  0.0603 -4.7073 3 1455.0047E80  59516140492 588 1    91 587 1      C-13-H3C(O)CH3
  920087.8897  0.0603 -5.9687 3 1455.0047E80  59516140492 488 1    91 587 1      C-13-H3C(O)CH3
  920088.0111  0.0603 -4.7510 3 1455.0045E80  59516140492 588 2    91 587 2      C-13-H3C(O)CH3
  920088.0111  0.0603 -4.7510 3 1455.0045E80  59516140492 488 2    91 487 2      C-13-H3C(O)CH3
  920088.0111  0.0603 -5.5301 3 1455.0045E80  59516140492 588 2    91 487 2      C-13-H3C(O)CH3
  920088.0111  0.0603 -5.5301 3 1455.0045E80  59516140492 488 2    91 587 2      C-13-H3C(O)CH3
  920096.4426  0.0441 -4.6956 3 1455.0383E80  59516140492 488 0    91 587 0      C-13-H3C(O)CH3
  920096.4426  0.0441 -4.6956 3 1455.0383E80  59516140492 588 0    91 487 0      C-13-H3C(O)CH3
  920141.7516  0.0209 -3.3731 3  690.0721744  5951614044646 0 1    4545 0 1      C-13-H3C(O)CH3
  920165.3799  0.0078 -3.6504 3  708.0258808 -595161404503714 1    493614 1      C-13-H3C(O)CH3
  920174.3721  0.0075 -3.6504 3  708.0402808 -595161404503714 2    493614 2      C-13-H3C(O)CH3
  920175.4854  0.0104 -3.9518 3  708.0689404  595161404503714 3    493614 3      C-13-H3C(O)CH3
  920184.3407  0.0166 -4.8557 3  235.7205584  59516140436 531 2    35 432 2      C-13-H3C(O)CH3
  920184.3407  0.0166 -4.8557 3  235.7205584  59516140436 631 2    35 332 2      C-13-H3C(O)CH3
  920187.5594  0.0180 -5.5385 3  235.7210584  59516140436 631 1    35 432 1      C-13-H3C(O)CH3
  920187.5594  0.0180 -4.9375 3  235.7210584  59516140436 631 1    35 332 1      C-13-H3C(O)CH3
  920187.5594  0.0180 -4.9375 3  235.7210584  59516140436 531 1    35 432 1      C-13-H3C(O)CH3
  920187.5594  0.0180 -5.5385 3  235.7210584  59516140436 531 1    35 332 1      C-13-H3C(O)CH3
  920226.4489  0.0099 -3.9516 3  708.0697404  595161404503713 3    493613 3      C-13-H3C(O)CH3
  920230.7846  0.0226 -3.3730 3  690.0486744  5951614044646 0 2    4545 0 2      C-13-H3C(O)CH3
  920293.8778  0.0273 -3.6741 3  690.1201372  5951614044646 0 4    4545 0 4      C-13-H3C(O)CH3
  920305.6626  0.0245 -3.3728 3  689.9786744  5951614044646 1 2    4545 1 2      C-13-H3C(O)CH3
  920317.2617  0.0111 -3.9514 3  708.0455404  595161404503714 4    493614 4      C-13-H3C(O)CH3
  920338.2679  0.0224 -3.3728 3  690.0143744  5951614044646 1 1    4545 1 1      C-13-H3C(O)CH3
  920343.2948  0.1202 -4.5503 3  739.3679420  595161404523419 4    513318 4      C-13-H3C(O)CH3
  920368.5834  0.0305 -3.6739 3  690.0499372  5951614044646 1 3    4545 1 3      C-13-H3C(O)CH3
  920428.5842  0.1002 -5.3244 3 1350.6641C56  595161404782158 0    772157 0      C-13-H3C(O)CH3
  920428.5842  0.1002 -4.7870 3 1350.6641C56  595161404782158 0    772057 0      C-13-H3C(O)CH3
  920428.5842  0.1002 -5.3244 3 1350.6641C56  595161404782058 0    772057 0      C-13-H3C(O)CH3
  920428.5842  0.1002 -4.7870 3 1350.6641C56  595161404782058 0    772157 0      C-13-H3C(O)CH3
  920447.8704  0.1025 -4.6969 3 1350.6824C56  595161404782058 1    772057 1      C-13-H3C(O)CH3
  920447.8704  0.1025 -4.6969 3 1350.6824C56  595161404782158 1    772157 1      C-13-H3C(O)CH3
  920447.8704  0.1025 -6.0124 3 1350.6824C56  595161404782158 1    772057 1      C-13-H3C(O)CH3
  920447.8704  0.1025 -6.0124 3 1350.6824C56  595161404782058 1    772157 1      C-13-H3C(O)CH3
  920450.3585  0.1041 -4.7725 3 1350.6833C56  595161404782058 2    772157 2      C-13-H3C(O)CH3
  920450.3585  0.1041 -5.3783 3 1350.6833C56  595161404782158 2    772157 2      C-13-H3C(O)CH3
  920450.3585  0.1041 -5.3783 3 1350.6833C56  595161404782058 2    772057 2      C-13-H3C(O)CH3
  920450.3585  0.1041 -4.7725 3 1350.6833C56  595161404782158 2    772057 2      C-13-H3C(O)CH3
  920469.6726  0.0828 -5.0267 3 1350.7016628  595161404782158 3    772057 3      C-13-H3C(O)CH3
  920469.6726  0.0828 -5.9470 3 1350.7016628  595161404782158 3    772157 3      C-13-H3C(O)CH3
  920469.6726  0.0828 -5.0267 3 1350.7016628  595161404782058 3    772157 3      C-13-H3C(O)CH3
  920469.6726  0.0828 -5.9470 3 1350.7016628  595161404782058 3    772057 3      C-13-H3C(O)CH3
  920469.7071  0.0828 -4.9774 3 1350.7017628  595161404782058 4    772157 4      C-13-H3C(O)CH3
  920469.7071  0.0828 -4.9774 3 1350.7017628  595161404782158 4    772057 4      C-13-H3C(O)CH3
  920490.2485  0.0311 -3.6738 3  690.0621372  5951614044646 0 3    4545 0 3      C-13-H3C(O)CH3
  920502.4587  0.0779 -5.6531 3  719.7457824  595161404513516 1    503417 1      C-13-H3C(O)CH3
  920564.3884  0.0362 -3.6736 3  689.9921372  5951614044646 1 4    4545 1 4      C-13-H3C(O)CH3
  920622.4272  0.0240 -4.6432 3  431.3354648  595161404402714 0    392415 0      C-13-H3C(O)CH3
  920629.0960  0.0242 -4.6882 3  431.3162648  595161404402714 1    392415 1      C-13-H3C(O)CH3
  920775.7638  0.0997 -5.8681 3  719.7508824  595161404513516 2    503417 2      C-13-H3C(O)CH3
  920794.1620  0.0156 -4.8506 3  235.6972584  59516140436 531 0    35 432 0      C-13-H3C(O)CH3
  920794.1620  0.0156 -4.8506 3  235.6972584  59516140436 631 0    35 332 0      C-13-H3C(O)CH3
  920897.6696  0.0652 -4.0516 3  739.3461840  595161404523419 2    513318 2      C-13-H3C(O)CH3
  920941.9359  0.0357 -5.1008 3  431.2832324  595161404402714 4    392415 4      C-13-H3C(O)CH3
  920972.5673  0.0454 -5.7717 3  195.7669568  59516140435 333 2    34 134 2      C-13-H3C(O)CH3
  920972.5673  0.0454 -5.7710 3  195.7669568  59516140435 233 2    34 134 2      C-13-H3C(O)CH3
  920973.3967  0.0473 -5.9921 3  195.7673568  59516140435 233 1    34 034 1      C-13-H3C(O)CH3
  920973.3967  0.0473 -5.9921 3  195.7673568  59516140435 333 1    34 134 1      C-13-H3C(O)CH3
  920997.4658  0.0631 -4.7272 3 1430.1470D84  595161404861175 0    851274 0      C-13-H3C(O)CH3
  920997.4658  0.0631 -4.7272 3 1430.1470D84  595161404861275 0    851174 0      C-13-H3C(O)CH3
  921011.4541  0.0410 -4.0013 3  739.3402840  595161404523419 1    513318 1      C-13-H3C(O)CH3
  921031.8628  0.0675 -4.7318 3 1430.1438D84  595161404861275 2    851274 2      C-13-H3C(O)CH3
  921031.8628  0.0675 -4.7318 3 1430.1438D84  595161404861175 2    851174 2      C-13-H3C(O)CH3
  921031.9287  0.0710 -4.7263 3 1430.1440D84  595161404861275 1    851274 1      C-13-H3C(O)CH3
  921031.9287  0.0710 -4.7263 3 1430.1440D84  595161404861175 1    851174 1      C-13-H3C(O)CH3
  921066.3501  0.0655 -5.6594 3 1430.1408692  595161404861275 3    851274 3      C-13-H3C(O)CH3
  921066.3501  0.0655 -5.1229 3 1430.1408692  595161404861275 3    851174 3      C-13-H3C(O)CH3
  921066.3501  0.0655 -5.1229 3 1430.1408692  595161404861175 3    851274 3      C-13-H3C(O)CH3
  921066.3501  0.0655 -5.6594 3 1430.1408692  595161404861175 3    851174 3      C-13-H3C(O)CH3
  921066.3969  0.0655 -5.8744 3 1430.1408692  595161404861175 4    851174 4      C-13-H3C(O)CH3
  921066.3969  0.0655 -5.8744 3 1430.1408692  595161404861275 4    851274 4      C-13-H3C(O)CH3
  921066.3969  0.0655 -5.0762 3 1430.1408692  595161404861275 4    851174 4      C-13-H3C(O)CH3
  921066.3969  0.0655 -5.0762 3 1430.1408692  595161404861175 4    851274 4      C-13-H3C(O)CH3
  921070.7082  0.0177 -3.9106 3  739.3260840  595161404523419 0    513318 0      C-13-H3C(O)CH3
  921102.4963  0.0334 -4.7504 3  431.3024648  595161404402714 2    392415 2      C-13-H3C(O)CH3
  921342.0035  0.0281 -4.9857 3 1460.7577748  59516140493 490 4    92 489 4      C-13-H3C(O)CH3
  921342.0035  0.0281 -4.9857 3 1460.7577748  59516140493 390 4    92 389 4      C-13-H3C(O)CH3
  921342.0405  0.0281 -4.9929 3 1460.7577748  59516140493 490 3    92 389 3      C-13-H3C(O)CH3
  921342.0405  0.0281 -4.9929 3 1460.7577748  59516140493 390 3    92 489 3      C-13-H3C(O)CH3
  921359.4744  0.0371 -5.2682 3 1460.7863E96  59516140493 390 1    92 489 1      C-13-H3C(O)CH3
  921359.4744  0.0371 -5.2682 3 1460.7863E96  59516140493 490 1    92 389 1      C-13-H3C(O)CH3
  921359.4744  0.0371 -4.8151 3 1460.7863E96  59516140493 390 1    92 389 1      C-13-H3C(O)CH3
  921359.4744  0.0371 -4.8151 3 1460.7863E96  59516140493 490 1    92 489 1      C-13-H3C(O)CH3
  921359.4897  0.0394 -4.9932 3 1460.7859E96  59516140493 390 2    92 489 2      C-13-H3C(O)CH3
  921359.4897  0.0394 -4.9770 3 1460.7859E96  59516140493 390 2    92 389 2      C-13-H3C(O)CH3
  921359.4897  0.0394 -4.9932 3 1460.7859E96  59516140493 490 2    92 389 2      C-13-H3C(O)CH3
  921359.4897  0.0394 -4.9770 3 1460.7859E96  59516140493 490 2    92 489 2      C-13-H3C(O)CH3
  921376.9291  0.0300 -4.8423 3 1460.8145E96  59516140493 390 0    92 389 0      C-13-H3C(O)CH3
  921376.9291  0.0300 -4.8423 3 1460.8145E96  59516140493 490 0    92 489 0      C-13-H3C(O)CH3
  921376.9291  0.0300 -5.1993 3 1460.8145E96  59516140493 490 0    92 389 0      C-13-H3C(O)CH3
  921376.9291  0.0300 -5.1993 3 1460.8145E96  59516140493 390 0    92 489 0      C-13-H3C(O)CH3
  921412.5394  0.0408 -4.9815 3  431.2832324  595161404402714 3    392415 3      C-13-H3C(O)CH3
  921477.2664  0.0998 -4.8172 3 1365.0700C72  595161404792060 0    781959 0      C-13-H3C(O)CH3
  921477.2664  0.0998 -5.2775 3 1365.0700C72  595161404791960 0    781959 0      C-13-H3C(O)CH3
  921477.2664  0.0998 -4.8172 3 1365.0700C72  595161404791960 0    782059 0      C-13-H3C(O)CH3
  921477.2664  0.0998 -5.2775 3 1365.0700C72  595161404792060 0    782059 0      C-13-H3C(O)CH3
  921485.4124  0.0232 -5.8468 3  296.4782260  5951614043228 5 4    3125 6 4      C-13-H3C(O)CH3
  921498.7164  0.1017 -5.4793 3 1365.0877C72  595161404792060 1    781959 1      C-13-H3C(O)CH3
  921498.7164  0.1017 -5.4793 3 1365.0877C72  595161404791960 1    782059 1      C-13-H3C(O)CH3
  921498.7164  0.1017 -4.7646 3 1365.0877C72  595161404791960 1    781959 1      C-13-H3C(O)CH3
  921498.7164  0.1017 -4.7646 3 1365.0877C72  595161404792060 1    782059 1      C-13-H3C(O)CH3
  921501.0030  0.1036 -4.6915 3 1365.0885C72  595161404791960 2    782059 2      C-13-H3C(O)CH3
  921501.0030  0.1036 -4.6915 3 1365.0885C72  595161404792060 2    781959 2      C-13-H3C(O)CH3
  921522.4824  0.0826 -5.4308 3 1365.1061636  595161404792060 3    782059 3      C-13-H3C(O)CH3
  921522.4824  0.0826 -5.1840 3 1365.1061636  595161404791960 3    782059 3      C-13-H3C(O)CH3
  921522.4824  0.0826 -5.1840 3 1365.1061636  595161404792060 3    781959 3      C-13-H3C(O)CH3
  921522.4824  0.0826 -5.4308 3 1365.1061636  595161404791960 3    781959 3      C-13-H3C(O)CH3
  921522.5194  0.0826 -5.3257 3 1365.1062636  595161404791960 4    782059 4      C-13-H3C(O)CH3
  921522.5194  0.0826 -5.2572 3 1365.1062636  595161404791960 4    781959 4      C-13-H3C(O)CH3
  921522.5194  0.0826 -5.3257 3 1365.1062636  595161404792060 4    781959 4      C-13-H3C(O)CH3
  921522.5194  0.0826 -5.2572 3 1365.1062636  595161404792060 4    782059 4      C-13-H3C(O)CH3
  921527.6459  0.0250 -4.2186 3  739.3518420  595161404523419 3    513318 3      C-13-H3C(O)CH3
  921600.3989  0.0690 -4.5883 3 1185.2881A96  595161404683137 0    673236 0      C-13-H3C(O)CH3
  921600.4009  0.0690 -4.5883 3 1185.2881A96  595161404683237 0    673136 0      C-13-H3C(O)CH3
  921613.3590  0.0692 -4.5884 3 1185.3048A96  595161404683137 1    673236 1      C-13-H3C(O)CH3
  921613.3616  0.0692 -4.5884 3 1185.3048A96  595161404683237 1    673136 1      C-13-H3C(O)CH3
  921615.3597  0.0718 -4.5884 3 1185.3068A96  595161404683137 2    673236 2      C-13-H3C(O)CH3
  921615.3619  0.0718 -4.5884 3 1185.3068A96  595161404683237 2    673136 2      C-13-H3C(O)CH3
  921628.3447  0.0658 -4.8895 3 1185.3235548  595161404683137 3    673236 3      C-13-H3C(O)CH3
  921628.3475  0.0658 -4.8895 3 1185.3235548  595161404683237 3    673136 3      C-13-H3C(O)CH3
  921628.3596  0.0658 -4.8895 3 1185.3236548  595161404683137 4    673236 4      C-13-H3C(O)CH3
  921628.3623  0.0658 -4.8895 3 1185.3236548  595161404683237 4    673136 4      C-13-H3C(O)CH3
  921649.8024  0.0285 -5.6419 3  431.3162648  595161404402713 1    392415 1      C-13-H3C(O)CH3
  921727.8081  0.0213 -5.8435 3  296.4684260  5951614043228 5 3    3125 7 3      C-13-H3C(O)CH3
  921756.9576  0.0641 -4.5825 3 1163.8219A80  595161404673235 0    663334 0      C-13-H3C(O)CH3
  921757.0570  0.0641 -4.5825 3 1163.8219A80  595161404673335 0    663234 0      C-13-H3C(O)CH3
  921773.7500  0.0642 -4.5826 3 1163.8376A80  595161404673235 1    663334 1      C-13-H3C(O)CH3
  921773.8692  0.0642 -4.5826 3 1163.8376A80  595161404673335 1    663234 1      C-13-H3C(O)CH3
  921775.6055  0.0739 -4.5970 3 1206.0862B12  595161404693039 0    683138 0      C-13-H3C(O)CH3
  921775.6055  0.0739 -4.5970 3 1206.0862B12  595161404693139 0    683038 0      C-13-H3C(O)CH3
  921775.6852  0.0671 -4.5826 3 1163.8397A80  595161404673235 2    663334 2      C-13-H3C(O)CH3
  921775.7918  0.0670 -4.5826 3 1163.8397A80  595161404673335 2    663234 2      C-13-H3C(O)CH3
  921786.1728  0.0743 -4.5971 3 1206.1037B12  595161404693139 1    683038 1      C-13-H3C(O)CH3
  921786.1728  0.0743 -4.5971 3 1206.1037B12  595161404693039 1    683138 1      C-13-H3C(O)CH3
  921788.3159  0.0766 -4.5972 3 1206.1057B12  595161404693139 2    683038 2      C-13-H3C(O)CH3
  921788.3159  0.0766 -4.5972 3 1206.1057B12  595161404693039 2    683138 2      C-13-H3C(O)CH3
  921792.5103  0.0625 -4.8837 3 1163.8554540  595161404673235 3    663334 3      C-13-H3C(O)CH3
  921792.5303  0.0625 -4.8837 3 1163.8554540  595161404673235 4    663334 4      C-13-H3C(O)CH3
  921792.6381  0.0625 -4.8837 3 1163.8554540  595161404673335 3    663234 3      C-13-H3C(O)CH3
  921792.6574  0.0625 -4.8837 3 1163.8554540  595161404673335 4    663234 4      C-13-H3C(O)CH3
  921798.9043  0.0690 -4.8981 3 1206.1232556  595161404693039 3    683138 3      C-13-H3C(O)CH3
  921798.9043  0.0690 -4.8981 3 1206.1232556  595161404693139 3    683038 3      C-13-H3C(O)CH3
  921798.9171  0.0690 -4.8981 3 1206.1232556  595161404693039 4    683138 4      C-13-H3C(O)CH3
  921798.9172  0.0690 -4.8981 3 1206.1232556  595161404693139 4    683038 4      C-13-H3C(O)CH3
  921926.8574  0.0196 -5.5468 3  296.5040520  5951614043228 5 1    3125 6 1      C-13-H3C(O)CH3
  921945.9482  0.0439 -5.7433 3  195.6988568  59516140435 333 0    34 034 0      C-13-H3C(O)CH3
  921945.9482  0.0439 -5.7433 3  195.6988568  59516140435 233 0    34 134 0      C-13-H3C(O)CH3
  922004.9036  0.0186 -5.5492 3  296.5200520  5951614043228 4 2    3125 6 2      C-13-H3C(O)CH3
  922064.6967  0.0089 -3.4208 3  693.7127760  5951614044744 4 0    4643 4 0      C-13-H3C(O)CH3
  922064.6967  0.0089 -3.4208 3  693.7127760  5951614044744 3 0    4643 3 0      C-13-H3C(O)CH3
  922124.2317  0.0218 -5.8463 3  296.4698260  5951614043228 4 3    3125 6 3      C-13-H3C(O)CH3
  922145.5403  0.0098 -3.4208 3  693.7606760 -5951614044744 3 1    4643 3 1      C-13-H3C(O)CH3
  922157.7604  0.0103 -3.4207 3  693.7354760 -5951614044744 3 2    4643 3 2      C-13-H3C(O)CH3
  922177.0782  0.0789 -4.6076 3 1226.2473B28  595161404703041 0    692940 0      C-13-H3C(O)CH3
  922177.0782  0.0789 -4.6077 3 1226.2473B28  595161404702941 0    693040 0      C-13-H3C(O)CH3
  922184.4434  0.0623 -4.7270 3 1439.6768E00  595161404871077 0    861176 0      C-13-H3C(O)CH3
  922184.4434  0.0623 -4.7270 3 1439.6768E00  595161404871177 0    861076 0      C-13-H3C(O)CH3
  922186.2150  0.0795 -4.6076 3 1226.2653B28  595161404702941 1    693040 1      C-13-H3C(O)CH3
  922186.2150  0.0795 -4.6076 3 1226.2653B28  595161404703041 1    692940 1      C-13-H3C(O)CH3
  922188.5327  0.0815 -4.6081 3 1226.2672B28  595161404703041 2    692940 2      C-13-H3C(O)CH3
  922188.5327  0.0815 -4.6089 3 1226.2672B28  595161404702941 2    693040 2      C-13-H3C(O)CH3
  922197.6889  0.0721 -4.9088 3 1226.2853564  595161404703041 3    692940 3      C-13-H3C(O)CH3
  922197.6889  0.0721 -4.9089 3 1226.2853564  595161404702941 3    693040 3      C-13-H3C(O)CH3
  922197.7014  0.0721 -4.9088 3 1226.2854564  595161404703041 4    692940 4      C-13-H3C(O)CH3
  922197.7014  0.0721 -4.9087 3 1226.2854564  595161404702941 4    693040 4      C-13-H3C(O)CH3
  922202.6325  0.0102 -3.4207 3  693.6945760 -5951614044744 4 2    4643 4 2      C-13-H3C(O)CH3
  922217.2302  0.0721 -4.7235 3 1439.6686E00  595161404871077 2    861176 2      C-13-H3C(O)CH3
  922217.2302  0.0721 -4.7235 3 1439.6686E00  595161404871177 2    861076 2      C-13-H3C(O)CH3
  922217.4143  0.0771 -4.7175 3 1439.6689E00  595161404871177 1    861176 1      C-13-H3C(O)CH3
  922217.4143  0.0771 -4.7223 3 1439.6689E00  595161404871077 1    861076 1      C-13-H3C(O)CH3
  922227.1996  0.2208 -4.4388 3  908.9026936  595161404583524 0    573423 0      C-13-H3C(O)CH3
  922238.8130  0.0152 -3.7218 3  693.7831380  5951614044744 3 4    4643 3 4      C-13-H3C(O)CH3
  922245.3817  0.0195 -5.5459 3  296.5101520  5951614043228 5 2    3125 7 2      C-13-H3C(O)CH3
  922250.2212  0.0640 -5.2749 3 1439.6607700  595161404871077 3    861176 3      C-13-H3C(O)CH3
  922250.2212  0.0640 -5.0440 3 1439.6607700  595161404871177 3    861076 3      C-13-H3C(O)CH3
  922250.2212  0.0640 -5.3675 3 1439.6607700  595161404871177 3    861176 3      C-13-H3C(O)CH3
  922250.2638  0.0640 -5.8131 3 1439.6607700  595161404871177 4    861076 4      C-13-H3C(O)CH3
  922250.2638  0.0640 -5.8131 3 1439.6607700  595161404871077 4    861176 4      C-13-H3C(O)CH3
  922250.2638  0.0640 -5.0935 3 1439.6607700  595161404871077 4    861076 4      C-13-H3C(O)CH3
  922250.2638  0.0640 -5.0935 3 1439.6607700  595161404871177 4    861176 4      C-13-H3C(O)CH3
  922271.6490  0.0098 -3.4206 3  693.7102760 -5951614044744 4 1    4643 4 1      C-13-H3C(O)CH3
  922283.0942  0.0152 -3.7217 3  693.7423380  5951614044744 3 3    4643 3 3      C-13-H3C(O)CH3
  922363.6900  0.0243 -5.8430 3  296.4599260  5951614043228 4 4    3125 7 4      C-13-H3C(O)CH3
  922364.2572  0.0153 -3.7216 3  693.7328380  5951614044744 4 3    4643 4 3      C-13-H3C(O)CH3
  922408.8058  0.0159 -3.7215 3  693.6920380  5951614044744 4 4    4643 4 4      C-13-H3C(O)CH3
  922427.6735  0.0593 -4.5814 3 1141.6419A64  595161404663333 0    653432 0      C-13-H3C(O)CH3
  922431.5939  0.0594 -4.5814 3 1141.6418A64  595161404663433 0    653332 0      C-13-H3C(O)CH3
  922449.6133  0.0194 -5.5501 3  296.5456520  5951614043228 5 0    3125 6 0      C-13-H3C(O)CH3
  922449.6829  0.0194 -5.5501 3  296.5456520  5951614043228 4 0    3125 7 0      C-13-H3C(O)CH3
  922450.5513  0.0592 -4.5815 3 1141.6561A64  595161404663333 1    653432 1      C-13-H3C(O)CH3
  922452.6643  0.0622 -4.5815 3 1141.6584A64  595161404663333 2    653432 2      C-13-H3C(O)CH3
  922454.9819  0.0592 -4.5815 3 1141.6559A64  595161404663433 1    653332 1      C-13-H3C(O)CH3
  922456.8297  0.0621 -4.5815 3 1141.6583A64  595161404663433 2    653332 2      C-13-H3C(O)CH3
  922475.5804  0.0589 -4.8826 3 1141.6725532  595161404663333 3    653432 3      C-13-H3C(O)CH3
  922475.6180  0.0589 -4.8826 3 1141.6726532  595161404663333 4    653432 4      C-13-H3C(O)CH3
  922480.2850  0.0587 -4.8826 3 1141.6724532  595161404663433 3    653332 3      C-13-H3C(O)CH3
  922480.3087  0.0587 -4.8826 3 1141.6725532  595161404663433 4    653332 4      C-13-H3C(O)CH3
  922485.1510  0.0450 -5.3090 3  431.3024648  595161404402713 2    392415 2      C-13-H3C(O)CH3
  922546.3473  0.0983 -4.7153 3 1378.9309C88  595161404801962 0    791861 0      C-13-H3C(O)CH3
  922546.3473  0.0983 -4.7029 3 1378.9309C88  595161404801862 0    791861 0      C-13-H3C(O)CH3
  922563.9158  0.0197 -5.5462 3  296.4955520  5951614043228 4 1    3125 7 1      C-13-H3C(O)CH3
  922570.0832  0.0995 -4.8472 3 1378.9476C88  595161404801962 1    791961 1      C-13-H3C(O)CH3
  922570.0832  0.0995 -5.2385 3 1378.9476C88  595161404801962 1    791861 1      C-13-H3C(O)CH3
  922570.0832  0.0995 -5.2385 3 1378.9476C88  595161404801862 1    791961 1      C-13-H3C(O)CH3
  922570.0832  0.0995 -4.8472 3 1378.9476C88  595161404801862 1    791861 1      C-13-H3C(O)CH3
  922572.1208  0.1018 -4.7143 3 1378.9482C88  595161404801862 2    791961 2      C-13-H3C(O)CH3
  922572.1208  0.1018 -4.7143 3 1378.9482C88  595161404801962 2    791861 2      C-13-H3C(O)CH3
  922595.8871  0.0820 -5.2485 3 1378.9650644  595161404801962 3    791961 3      C-13-H3C(O)CH3
  922595.8871  0.0820 -5.3614 3 1378.9650644  595161404801862 3    791961 3      C-13-H3C(O)CH3
  922595.8871  0.0820 -5.2485 3 1378.9650644  595161404801862 3    791861 3      C-13-H3C(O)CH3
  922595.8871  0.0820 -5.3614 3 1378.9650644  595161404801962 3    791861 3      C-13-H3C(O)CH3
  922595.9266  0.0820 -5.0368 3 1378.9650644  595161404801962 4    791861 4      C-13-H3C(O)CH3
  922595.9266  0.0820 -5.0368 3 1378.9650644  595161404801862 4    791961 4      C-13-H3C(O)CH3
  922620.4470  0.0197 -5.2129 3 1466.0257756  59516140494 292 4    93 391 4      C-13-H3C(O)CH3
  922620.4470  0.0197 -5.3716 3 1466.0257756  59516140494 392 4    93 391 4      C-13-H3C(O)CH3
  922620.4470  0.0197 -5.2129 3 1466.0257756  59516140494 392 4    93 291 4      C-13-H3C(O)CH3
  922620.4470  0.0197 -5.3716 3 1466.0257756  59516140494 292 4    93 291 4      C-13-H3C(O)CH3
  922620.4585  0.0197 -4.9850 3 1466.0256756  59516140494 292 3    93 291 3      C-13-H3C(O)CH3
  922620.4585  0.0197 -4.9850 3 1466.0256756  59516140494 392 3    93 391 3      C-13-H3C(O)CH3
  922643.2255  0.0205 -5.1069 3 1466.0403F12 -59516140494 292 1    93 391 1      C-13-H3C(O)CH3
  922643.2255  0.0205 -5.1069 3 1466.0403F12 -59516140494 392 1    93 291 1      C-13-H3C(O)CH3
  922643.2255  0.0258 -4.7551 3 1466.0398F12 -59516140494 392 2    93 391 2      C-13-H3C(O)CH3
  922643.2255  0.0258 -5.4986 3 1466.0398F12 -59516140494 392 2    93 291 2      C-13-H3C(O)CH3
  922643.2255  0.0205 -4.8884 3 1466.0403F12 -59516140494 292 1    93 291 1      C-13-H3C(O)CH3
  922643.2255  0.0205 -4.8884 3 1466.0403F12 -59516140494 392 1    93 391 1      C-13-H3C(O)CH3
  922643.2255  0.0258 -5.4986 3 1466.0398F12 -59516140494 292 2    93 391 2      C-13-H3C(O)CH3
  922643.2255  0.0258 -4.7551 3 1466.0398F12 -59516140494 292 2    93 291 2      C-13-H3C(O)CH3
  922666.0616  0.0181 -4.8899 3 1466.0544F12  59516140494 392 0    93 291 0      C-13-H3C(O)CH3
  922666.0616  0.0181 -5.1044 3 1466.0544F12  59516140494 392 0    93 391 0      C-13-H3C(O)CH3
  922666.0616  0.0181 -4.8899 3 1466.0544F12  59516140494 292 0    93 391 0      C-13-H3C(O)CH3
  922666.0616  0.0181 -5.1044 3 1466.0544F12  59516140494 292 0    93 291 0      C-13-H3C(O)CH3
  922686.2113  0.0121 -5.9722 3  257.8366260  595161404321914 4    311417 4      C-13-H3C(O)CH3
  922688.0478  0.0111 -5.9722 3  257.8366260  595161404321914 3    311417 3      C-13-H3C(O)CH3
  922698.8245  0.0109 -5.6724 3  257.8544520  595161404321914 2    311417 2      C-13-H3C(O)CH3
  922739.5478  0.0838 -4.8515 3 1245.7931B44  595161404712843 0    702842 0      C-13-H3C(O)CH3
  922739.5478  0.0838 -4.8515 3 1245.7931B44  595161404712943 0    702942 0      C-13-H3C(O)CH3
  922739.5478  0.0838 -5.0024 3 1245.7931B44  595161404712843 0    702942 0      C-13-H3C(O)CH3
  922739.5478  0.0838 -5.0024 3 1245.7931B44  595161404712943 0    702842 0      C-13-H3C(O)CH3
  922747.9581  0.0847 -4.8765 3 1245.8117B44  595161404712843 1    702942 1      C-13-H3C(O)CH3
  922747.9581  0.0847 -4.9476 3 1245.8117B44  595161404712943 1    702842 1      C-13-H3C(O)CH3
  922747.9581  0.0847 -4.9693 3 1245.8117B44  595161404712943 1    702942 1      C-13-H3C(O)CH3
  922747.9581  0.0847 -4.8949 3 1245.8117B44  595161404712843 1    702842 1      C-13-H3C(O)CH3
  922750.4563  0.0863 -4.6199 3 1245.8135B44  595161404712843 2    702842 2      C-13-H3C(O)CH3
  922750.4563  0.0863 -4.6199 3 1245.8135B44  595161404712943 2    702942 2      C-13-H3C(O)CH3
  922758.8853  0.0751 -5.9743 3 1245.8321572  595161404712943 3    702842 3      C-13-H3C(O)CH3
  922758.8853  0.0751 -4.9607 3 1245.8321572  595161404712943 3    702942 3      C-13-H3C(O)CH3
  922758.8853  0.0751 -4.9607 3 1245.8321572  595161404712843 3    702842 3      C-13-H3C(O)CH3
  922758.8853  0.0751 -5.9743 3 1245.8321572  595161404712843 3    702942 3      C-13-H3C(O)CH3
  922758.8984  0.0751 -5.0146 3 1245.8321572  595161404712843 4    702842 4      C-13-H3C(O)CH3
  922758.8984  0.0751 -5.6310 3 1245.8321572  595161404712843 4    702942 4      C-13-H3C(O)CH3
  922758.8984  0.0751 -5.0146 3 1245.8321572  595161404712943 4    702942 4      C-13-H3C(O)CH3
  922758.8984  0.0751 -5.6310 3 1245.8321572  595161404712943 4    702842 4      C-13-H3C(O)CH3
  922765.9229  0.0108 -5.6715 3  257.8578520  595161404321914 1    311417 1      C-13-H3C(O)CH3
  922776.7595  0.0105 -5.6724 3  257.8756520  595161404321914 0    311417 0      C-13-H3C(O)CH3
  922842.1335  0.1755 -4.5756 3 1033.3932A00  595161404623627 0    613526 0      C-13-H3C(O)CH3
  922843.4466  0.0531 -5.4644 3  431.2832324  595161404402713 4    392415 4      C-13-H3C(O)CH3
  923104.9057  0.1922 -4.4376 3  908.8822936  595161404583524 1    573423 1      C-13-H3C(O)CH3
  923146.1156  0.2822 -4.4376 3  908.8809936  595161404583524 2    573423 2      C-13-H3C(O)CH3
  923166.9273  0.0207 -4.6309 3  739.3402840  595161404523418 1    513318 1      C-13-H3C(O)CH3
  923228.0595  0.1969 -4.5759 3 1033.3909A00  595161404623627 2    613526 2      C-13-H3C(O)CH3
  923238.8131  0.0286 -4.4633 3  739.3461840  595161404523418 2    513318 2      C-13-H3C(O)CH3
  923281.3596  0.1520 -4.5759 3 1033.3872A00  595161404623627 1    613526 1      C-13-H3C(O)CH3
  923328.6742  0.0178 -5.8991 3  739.3518420  595161404523418 3    513318 3      C-13-H3C(O)CH3
  923385.5370  0.0635 -5.3455 3 1448.6759E16  59516140488 979 0    871078 0      C-13-H3C(O)CH3
  923385.5370  0.0635 -5.3455 3 1448.6759E16  595161404881079 0    87 978 0      C-13-H3C(O)CH3
  923385.5370  0.0635 -4.8397 3 1448.6759E16  595161404881079 0    871078 0      C-13-H3C(O)CH3
  923385.5370  0.0635 -4.8397 3 1448.6759E16  59516140488 979 0    87 978 0      C-13-H3C(O)CH3
  923415.4175  0.0793 -5.7371 3 1448.6623E16  59516140488 979 2    871078 2      C-13-H3C(O)CH3
  923415.4175  0.0793 -4.7658 3 1448.6623E16  59516140488 979 2    87 978 2      C-13-H3C(O)CH3
  923415.4175  0.0793 -5.7371 3 1448.6623E16  595161404881079 2    87 978 2      C-13-H3C(O)CH3
  923415.4175  0.0793 -4.7658 3 1448.6623E16  595161404881079 2    871078 2      C-13-H3C(O)CH3
  923415.6406  0.0850 -4.8301 3 1448.6625E16  595161404881079 1    87 978 1      C-13-H3C(O)CH3
  923415.6406  0.0850 -5.3774 3 1448.6625E16  59516140488 979 1    87 978 1      C-13-H3C(O)CH3
  923415.6406  0.0850 -4.8301 3 1448.6625E16  59516140488 979 1    871078 1      C-13-H3C(O)CH3
  923415.6406  0.0850 -5.3774 3 1448.6625E16  595161404881079 1    871078 1      C-13-H3C(O)CH3
  923420.4302  0.0884 -4.6397 3 1264.7400B60  595161404722845 0    712844 0      C-13-H3C(O)CH3
  923420.4302  0.0884 -4.6397 3 1264.7400B60  595161404722745 0    712744 0      C-13-H3C(O)CH3
  923428.6676  0.0897 -5.5740 3 1264.7589B60  595161404722745 1    712744 1      C-13-H3C(O)CH3
  923428.6676  0.0897 -4.6848 3 1264.7589B60  595161404722845 1    712744 1      C-13-H3C(O)CH3
  923428.6676  0.0897 -5.5740 3 1264.7589B60  595161404722845 1    712844 1      C-13-H3C(O)CH3
  923428.6676  0.0897 -4.6848 3 1264.7589B60  595161404722745 1    712844 1      C-13-H3C(O)CH3
  923431.3336  0.0910 -4.9550 3 1264.7606B60  595161404722745 2    712844 2      C-13-H3C(O)CH3
  923431.3336  0.0910 -4.9550 3 1264.7606B60  595161404722845 2    712744 2      C-13-H3C(O)CH3
  923431.3336  0.0910 -4.9122 3 1264.7606B60  595161404722745 2    712744 2      C-13-H3C(O)CH3
  923431.3336  0.0910 -4.9122 3 1264.7606B60  595161404722845 2    712844 2      C-13-H3C(O)CH3
  923439.5900  0.0778 -4.9554 3 1264.7796580  595161404722745 3    712844 3      C-13-H3C(O)CH3
  923439.5900  0.0778 -4.9554 3 1264.7796580  595161404722845 3    712744 3      C-13-H3C(O)CH3
  923439.6044  0.0778 -5.8126 3 1264.7797580  595161404722845 4    712744 4      C-13-H3C(O)CH3
  923439.6044  0.0778 -5.8126 3 1264.7797580  595161404722745 4    712844 4      C-13-H3C(O)CH3
  923439.6044  0.0778 -4.9946 3 1264.7797580  595161404722845 4    712844 4      C-13-H3C(O)CH3
  923439.6044  0.0778 -4.9946 3 1264.7797580  595161404722745 4    712744 4      C-13-H3C(O)CH3
  923445.5363  0.0626 -5.1051 3 1448.6489708  59516140488 979 3    87 978 3      C-13-H3C(O)CH3
  923445.5363  0.0626 -5.7848 3 1448.6489708  59516140488 979 3    871078 3      C-13-H3C(O)CH3
  923445.5363  0.0626 -5.7848 3 1448.6489708  595161404881079 3    87 978 3      C-13-H3C(O)CH3
  923445.5363  0.0626 -5.1051 3 1448.6489708  595161404881079 3    871078 3      C-13-H3C(O)CH3
  923445.5721  0.0626 -5.0373 3 1448.6489708  59516140488 979 4    871078 4      C-13-H3C(O)CH3
  923445.5721  0.0626 -5.0373 3 1448.6489708  595161404881079 4    87 978 4      C-13-H3C(O)CH3
  923546.5498  0.0351 -4.4743 3  739.3679420  595161404523418 4    513318 4      C-13-H3C(O)CH3
  923633.7084  0.0956 -4.7698 3 1392.2490D04  595161404811864 0    801863 0      C-13-H3C(O)CH3
  923633.7084  0.0956 -5.5993 3 1392.2490D04  595161404811864 0    801763 0      C-13-H3C(O)CH3
  923633.7084  0.0956 -4.7698 3 1392.2490D04  595161404811764 0    801763 0      C-13-H3C(O)CH3
  923633.7084  0.0956 -5.5993 3 1392.2490D04  595161404811764 0    801863 0      C-13-H3C(O)CH3
  923659.7836  0.0959 -5.2153 3 1392.2645D04  595161404811864 1    801863 1      C-13-H3C(O)CH3
  923659.7836  0.0959 -4.8724 3 1392.2645D04  595161404811764 1    801863 1      C-13-H3C(O)CH3
  923659.7836  0.0959 -5.2153 3 1392.2645D04  595161404811764 1    801763 1      C-13-H3C(O)CH3
  923659.7836  0.0959 -4.8724 3 1392.2645D04  595161404811864 1    801763 1      C-13-H3C(O)CH3
  923661.5320  0.0985 -5.7757 3 1392.2649D04  595161404811864 2    801763 2      C-13-H3C(O)CH3
  923661.5320  0.0985 -5.7757 3 1392.2649D04  595161404811764 2    801863 2      C-13-H3C(O)CH3
  923661.5320  0.0985 -4.7488 3 1392.2649D04  595161404811764 2    801763 2      C-13-H3C(O)CH3
  923661.5320  0.0985 -4.7488 3 1392.2649D04  595161404811864 2    801863 2      C-13-H3C(O)CH3
  923671.4215  0.1530 -4.8772 3 1033.3848500  595161404623627 4    613526 4      C-13-H3C(O)CH3
  923674.0368  0.1100 -4.5898 3 1064.0031A16  595161404633628 0    623527 0      C-13-H3C(O)CH3
  923676.3100  0.1579 -4.8772 3 1033.3847500  595161404623627 3    613526 3      C-13-H3C(O)CH3
  923687.6386  0.0809 -5.0581 3 1392.2805652  595161404811864 3    801863 3      C-13-H3C(O)CH3
  923687.6386  0.0809 -5.9976 3 1392.2805652  595161404811864 3    801763 3      C-13-H3C(O)CH3
  923687.6386  0.0809 -5.0581 3 1392.2805652  595161404811764 3    801763 3      C-13-H3C(O)CH3
  923687.6386  0.0809 -5.9976 3 1392.2805652  595161404811764 3    801863 3      C-13-H3C(O)CH3
  923687.6805  0.0809 -5.0109 3 1392.2805652  595161404811764 4    801763 4      C-13-H3C(O)CH3
  923687.6805  0.0809 -5.0109 3 1392.2805652  595161404811864 4    801863 4      C-13-H3C(O)CH3
  923881.2137  0.1100 -4.5901 3 1064.0079A16  595161404633628 2    623527 2      C-13-H3C(O)CH3
  923903.8681  0.0064 -3.4769 3  699.0000776 -5951614044842 6 0    4741 7 0      C-13-H3C(O)CH3
  923903.8681  0.0064 -3.4769 3  699.0000776 -5951614044842 7 0    4741 6 0      C-13-H3C(O)CH3
  923916.4332  0.0943 -4.5901 3 1064.0044A16  595161404633628 1    623527 1      C-13-H3C(O)CH3
  923918.1080  0.0188 -4.9827 3 1470.7788764  59516140495 294 3    94 193 3      C-13-H3C(O)CH3
  923918.1080  0.0188 -4.9827 3 1470.7788764  59516140495 194 3    94 293 3      C-13-H3C(O)CH3
  923918.1322  0.0188 -5.0182 3 1470.7789764  59516140495 294 4    94 193 4      C-13-H3C(O)CH3
  923918.1322  0.0188 -5.0182 3 1470.7789764  59516140495 194 4    94 293 4      C-13-H3C(O)CH3
  923921.5167  0.0546 -4.5882 3 1118.6756A48  595161404653431 0    643530 0      C-13-H3C(O)CH3
  923937.9447  0.0081 -3.4770 3  699.0161776 -5951614044842 6 2    4741 6 2      C-13-H3C(O)CH3
  923937.9447  0.0214 -4.6900 3 1470.7659F28 -59516140495 194 1    94 193 1      C-13-H3C(O)CH3
  923938.0882  0.0281 -4.6824 3 1470.7654F28  59516140495 294 2    94 293 2      C-13-H3C(O)CH3
  923938.0882  0.0281 -4.6824 3 1470.7654F28  59516140495 194 2    94 193 2      C-13-H3C(O)CH3
  923938.3469  0.0214 -4.6900 3 1470.7659F28  59516140495 294 1    94 293 1      C-13-H3C(O)CH3
  923951.1927  0.0546 -4.5884 3 1118.6876A48  595161404653431 1    643530 1      C-13-H3C(O)CH3
  923955.4234  0.0580 -4.5883 3 1118.6901A48  595161404653431 2    643530 2      C-13-H3C(O)CH3
  923958.2779  0.0176 -4.7036 3 1470.7525F28  59516140495 194 0    94 193 0      C-13-H3C(O)CH3
  923958.2779  0.0176 -5.9780 3 1470.7525F28  59516140495 194 0    94 293 0      C-13-H3C(O)CH3
  923958.2779  0.0176 -4.7036 3 1470.7525F28  59516140495 294 0    94 293 0      C-13-H3C(O)CH3
  923958.2779  0.0176 -5.9780 3 1470.7525F28  59516140495 294 0    94 193 0      C-13-H3C(O)CH3
  923974.2504  0.0075 -3.4769 3  699.0314776 -5951614044842 6 1    4741 6 1      C-13-H3C(O)CH3
  923975.8755  0.0085 -4.6449 3  344.2789316  595161404391426 4    381227 4      C-13-H3C(O)CH3
  923975.8755  0.0085 -4.6449 3  344.2789316  595161404391326 4    381127 4      C-13-H3C(O)CH3
  923975.8755  0.0085 -5.0726 3  344.2789316  595161404391326 4    381227 4      C-13-H3C(O)CH3
  923975.8755  0.0085 -5.0726 3  344.2789316  595161404391426 4    381127 4      C-13-H3C(O)CH3
  923976.3001  0.0082 -4.5148 3  344.2789316  595161404391426 3    381227 3      C-13-H3C(O)CH3
  923976.3001  0.0082 -4.5148 3  344.2789316  595161404391326 3    381127 3      C-13-H3C(O)CH3
  923984.9802  0.0561 -4.8895 3 1118.7021524  595161404653431 3    643530 3      C-13-H3C(O)CH3
  923985.1403  0.0560 -4.8895 3 1118.7021524  595161404653431 4    643530 4      C-13-H3C(O)CH3
  923997.3222  0.0076 -3.4769 3  698.9970776 -5951614044842 7 2    4741 7 2      C-13-H3C(O)CH3
  924007.4429  0.2378 -4.7375 3  908.8609468  595161404583524 4    573423 4      C-13-H3C(O)CH3
  924007.9367  0.0121 -3.7779 3  699.0472388  5951614044842 6 4    4741 6 4      C-13-H3C(O)CH3
  924039.5625  0.0551 -4.5881 3 1118.6726A48  595161404653531 0    643430 0      C-13-H3C(O)CH3
  924040.8894  0.2496 -4.7372 3  908.8604468  595161404583524 3    573423 3      C-13-H3C(O)CH3
  924057.9902  0.0080 -4.2064 3  344.3031632  595161404391426 2    381127 2      C-13-H3C(O)CH3
  924057.9902  0.0080 -5.9239 3  344.3031632  595161404391326 2    381227 2      C-13-H3C(O)CH3
  924057.9902  0.0080 -4.2145 3  344.3031632  595161404391426 2    381227 2      C-13-H3C(O)CH3
  924063.3805  0.0073 -3.4768 3  698.9939776 -5951614044842 7 1    4741 7 1      C-13-H3C(O)CH3
  924065.6832  0.0081 -4.2156 3  344.3043632  595161404391426 1    381227 1      C-13-H3C(O)CH3
  924065.6832  0.0081 -5.8717 3  344.3043632  595161404391326 1    381227 1      C-13-H3C(O)CH3
  924065.6832  0.0081 -4.2156 3  344.3043632  595161404391326 1    381127 1      C-13-H3C(O)CH3
  924065.6832  0.0081 -5.8717 3  344.3043632  595161404391426 1    381127 1      C-13-H3C(O)CH3
  924067.0639  0.0112 -3.7779 3  699.0283388  5951614044842 6 3    4741 6 3      C-13-H3C(O)CH3
  924079.2317  0.0542 -4.5882 3 1118.6843A48  595161404653531 1    643430 1      C-13-H3C(O)CH3
  924079.3593  0.0558 -4.5882 3 1118.6869A48  595161404653531 2    643430 2      C-13-H3C(O)CH3
  924096.6979  0.0115 -3.7778 3  699.0099388  5951614044842 7 3    4741 7 3      C-13-H3C(O)CH3
  924119.3184  0.0527 -4.8894 3 1118.6987524  595161404653531 4    643430 4      C-13-H3C(O)CH3
  924119.3605  0.0526 -4.8894 3 1118.6986524  595161404653531 3    643430 3      C-13-H3C(O)CH3
  924126.7242  0.0785 -4.8914 3 1064.0092508  595161404633628 4    623527 4      C-13-H3C(O)CH3
  924128.9085  0.0814 -4.8914 3 1064.0091508  595161404633628 3    623527 3      C-13-H3C(O)CH3
  924147.2611  0.0070 -5.6705 3  344.3285632  595161404391326 0    381227 0      C-13-H3C(O)CH3
  924147.2611  0.0070 -5.6704 3  344.3285632  595161404391426 0    381127 0      C-13-H3C(O)CH3
  924147.2611  0.0070 -4.2213 3  344.3285632  595161404391426 0    381227 0      C-13-H3C(O)CH3
  924147.2611  0.0070 -4.2213 3  344.3285632  595161404391326 0    381127 0      C-13-H3C(O)CH3
  924156.4884  0.0112 -3.7778 3  698.9909388  5951614044842 7 4    4741 7 4      C-13-H3C(O)CH3
  924190.8149  0.0928 -4.6453 3 1283.1001B76  595161404732647 0    722746 0      C-13-H3C(O)CH3
  924190.8149  0.0928 -4.6451 3 1283.1001B76  595161404732747 0    722646 0      C-13-H3C(O)CH3
  924199.3396  0.0945 -4.8200 3 1283.1194B76  595161404732647 1    722646 1      C-13-H3C(O)CH3
  924199.3396  0.0945 -5.1248 3 1283.1194B76  595161404732647 1    722746 1      C-13-H3C(O)CH3
  924199.3396  0.0945 -4.8200 3 1283.1194B76  595161404732747 1    722746 1      C-13-H3C(O)CH3
  924199.3396  0.0945 -5.1248 3 1283.1194B76  595161404732747 1    722646 1      C-13-H3C(O)CH3
  924202.1477  0.0956 -4.8462 3 1283.1211B76  595161404732647 2    722746 2      C-13-H3C(O)CH3
  924202.1477  0.0956 -5.0763 3 1283.1211B76  595161404732647 2    722646 2      C-13-H3C(O)CH3
  924202.1477  0.0956 -4.8462 3 1283.1211B76  595161404732747 2    722646 2      C-13-H3C(O)CH3
  924202.1477  0.0956 -5.0763 3 1283.1211B76  595161404732747 2    722746 2      C-13-H3C(O)CH3
  924210.6918  0.0803 -5.0841 3 1283.1403588  595161404732747 3    722646 3      C-13-H3C(O)CH3
  924210.6918  0.0803 -5.5118 3 1283.1403588  595161404732647 3    722646 3      C-13-H3C(O)CH3
  924210.6918  0.0803 -5.5118 3 1283.1403588  595161404732747 3    722746 3      C-13-H3C(O)CH3
  924210.6918  0.0803 -5.0841 3 1283.1403588  595161404732647 3    722746 3      C-13-H3C(O)CH3
  924210.7079  0.0803 -4.9922 3 1283.1404588  595161404732747 4    722646 4      C-13-H3C(O)CH3
  924210.7079  0.0803 -4.9812 3 1283.1404588  595161404732647 4    722746 4      C-13-H3C(O)CH3
  924210.7079  0.0803 -5.8617 3 1283.1404588  595161404732747 4    722746 4      C-13-H3C(O)CH3
  924210.7079  0.0803 -5.9627 3 1283.1404588  595161404732647 4    722646 4      C-13-H3C(O)CH3
  924601.0236  0.0655 -4.7279 3 1457.1452E32  59516140489 881 0    88 980 0      C-13-H3C(O)CH3
  924601.0236  0.0655 -4.7279 3 1457.1452E32  59516140489 981 0    88 880 0      C-13-H3C(O)CH3
  924626.4742  0.0866 -4.7364 3 1457.1259E32  59516140489 881 2    88 980 2      C-13-H3C(O)CH3
  924626.4742  0.0866 -4.7364 3 1457.1259E32  59516140489 981 2    88 880 2      C-13-H3C(O)CH3
  924626.6611  0.0922 -4.7497 3 1457.1260E32  59516140489 981 1    88 980 1      C-13-H3C(O)CH3
  924626.6611  0.0922 -5.9983 3 1457.1260E32  59516140489 881 1    88 980 1      C-13-H3C(O)CH3
  924626.6611  0.0922 -4.7497 3 1457.1260E32  59516140489 881 1    88 880 1      C-13-H3C(O)CH3
  924626.6611  0.0922 -5.9983 3 1457.1260E32  59516140489 981 1    88 880 1      C-13-H3C(O)CH3
  924652.1223  0.0610 -5.9112 3 1457.1066716  59516140489 981 3    88 980 3      C-13-H3C(O)CH3
  924652.1223  0.0610 -5.9112 3 1457.1066716  59516140489 881 3    88 880 3      C-13-H3C(O)CH3
  924652.1223  0.0610 -5.0876 3 1457.1066716  59516140489 881 3    88 980 3      C-13-H3C(O)CH3
  924652.1223  0.0610 -5.0876 3 1457.1066716  59516140489 981 3    88 880 3      C-13-H3C(O)CH3
  924652.1477  0.0610 -5.0334 3 1457.1066716  59516140489 981 4    88 880 4      C-13-H3C(O)CH3
  924652.1477  0.0610 -5.0334 3 1457.1066716  59516140489 881 4    88 980 4      C-13-H3C(O)CH3
  924737.7667  0.0919 -4.7300 3 1405.0265D20  595161404821766 0    811665 0      C-13-H3C(O)CH3
  924737.7667  0.0919 -4.7300 3 1405.0265D20  595161404821666 0    811765 0      C-13-H3C(O)CH3
  924766.1473  0.0912 -4.9273 3 1405.0404D20  595161404821666 1    811765 1      C-13-H3C(O)CH3
  924766.1473  0.0912 -4.9273 3 1405.0404D20  595161404821766 1    811665 1      C-13-H3C(O)CH3
  924766.1473  0.0912 -5.1404 3 1405.0404D20  595161404821766 1    811765 1      C-13-H3C(O)CH3
  924766.1473  0.0912 -5.1404 3 1405.0404D20  595161404821666 1    811665 1      C-13-H3C(O)CH3
  924767.5769  0.0939 -4.9481 3 1405.0407D20  595161404821766 2    811765 2      C-13-H3C(O)CH3
  924767.5769  0.0939 -5.1084 3 1405.0407D20  595161404821666 2    811765 2      C-13-H3C(O)CH3
  924767.5769  0.0939 -4.9481 3 1405.0407D20  595161404821666 2    811665 2      C-13-H3C(O)CH3
  924767.5769  0.0939 -5.1084 3 1405.0407D20  595161404821766 2    811665 2      C-13-H3C(O)CH3
  924795.9896  0.0794 -5.0491 3 1405.0547660  595161404821766 3    811665 3      C-13-H3C(O)CH3
  924795.9896  0.0794 -5.0491 3 1405.0547660  595161404821666 3    811765 3      C-13-H3C(O)CH3
  924796.0336  0.0795 -5.1105 3 1405.0547660  595161404821666 4    811665 4      C-13-H3C(O)CH3
  924796.0336  0.0795 -5.7506 3 1405.0547660  595161404821666 4    811765 4      C-13-H3C(O)CH3
  924796.0336  0.0795 -5.7506 3 1405.0547660  595161404821766 4    811665 4      C-13-H3C(O)CH3
  924796.0336  0.0795 -5.1105 3 1405.0547660  595161404821766 4    811765 4      C-13-H3C(O)CH3
  924841.9127  0.0198 -4.4610 3  739.2146840  595161404523419 2    513319 2      C-13-H3C(O)CH3
  924842.4142  0.0171 -4.6287 3  739.2125840  595161404523419 1    513319 1      C-13-H3C(O)CH3
  924882.7825  0.0220 -4.4719 3  739.2165420  595161404523419 4    513319 4      C-13-H3C(O)CH3
  925030.4641  0.0969 -4.8126 3 1300.8833B92  595161404742549 0    732648 0      C-13-H3C(O)CH3
  925030.4641  0.0969 -5.1832 3 1300.8833B92  595161404742649 0    732648 0      C-13-H3C(O)CH3
  925030.4641  0.0969 -4.8126 3 1300.8833B92  595161404742649 0    732548 0      C-13-H3C(O)CH3
  925030.4641  0.0969 -5.1832 3 1300.8833B92  595161404742549 0    732548 0      C-13-H3C(O)CH3
  925039.6740  0.0989 -5.3038 3 1300.9027B92  595161404742649 1    732548 1      C-13-H3C(O)CH3
  925039.6740  0.0989 -4.7700 3 1300.9027B92  595161404742549 1    732548 1      C-13-H3C(O)CH3
  925039.6740  0.0989 -4.6704 3 1300.9027B92  595161404742649 1    732648 1      C-13-H3C(O)CH3
  925042.5883  0.0999 -4.8660 3 1300.9043B92  595161404742649 2    732548 2      C-13-H3C(O)CH3
  925042.5883  0.0999 -5.0790 3 1300.9043B92  595161404742649 2    732648 2      C-13-H3C(O)CH3
  925042.5883  0.0999 -5.0790 3 1300.9043B92  595161404742549 2    732548 2      C-13-H3C(O)CH3
  925042.5883  0.0999 -4.8660 3 1300.9043B92  595161404742549 2    732648 2      C-13-H3C(O)CH3
  925051.8185  0.0826 -5.2686 3 1300.9238596  595161404742649 3    732548 3      C-13-H3C(O)CH3
  925051.8185  0.0826 -5.2528 3 1300.9238596  595161404742649 3    732648 3      C-13-H3C(O)CH3
  925051.8185  0.0826 -5.2528 3 1300.9238596  595161404742549 3    732548 3      C-13-H3C(O)CH3
  925051.8185  0.0826 -5.2686 3 1300.9238596  595161404742549 3    732648 3      C-13-H3C(O)CH3
  925051.8366  0.0826 -4.9615 3 1300.9238596  595161404742649 4    732648 4      C-13-H3C(O)CH3
  925051.8366  0.0826 -4.9615 3 1300.9238596  595161404742549 4    732548 4      C-13-H3C(O)CH3
  925100.1430  0.0143 -5.8967 3  739.2326420  595161404523419 3    513319 3      C-13-H3C(O)CH3
  925174.4422  0.0068 -4.0813 3  412.8975664  595161404411823 0    401724 0      C-13-H3C(O)CH3
  925174.5545  0.0068 -4.0813 3  412.8975664  595161404411923 0    401624 0      C-13-H3C(O)CH3
  925208.2262  0.0083 -4.0811 3  412.8686664  595161404411823 2    401724 2      C-13-H3C(O)CH3
  925208.3491  0.0083 -4.0811 3  412.8686664  595161404411923 2    401624 2      C-13-H3C(O)CH3
  925219.7356  0.0076 -4.0811 3  412.8706664  595161404411823 1    401724 1      C-13-H3C(O)CH3
  925219.8534  0.0076 -4.0811 3  412.8706664  595161404411923 1    401624 1      C-13-H3C(O)CH3
  925240.1692  0.0316 -5.3053 3 1475.0229772  59516140496 196 4    95 095 4      C-13-H3C(O)CH3
  925240.1692  0.0316 -5.3053 3 1475.0229772  59516140496 096 4    95 195 4      C-13-H3C(O)CH3
  925240.1692  0.0316 -5.2572 3 1475.0229772  59516140496 096 4    95 095 4      C-13-H3C(O)CH3
  925240.1692  0.0316 -5.2572 3 1475.0229772  59516140496 196 4    95 195 4      C-13-H3C(O)CH3
  925240.1929  0.0316 -5.6834 3 1475.0229772  59516140496 096 3    95 095 3      C-13-H3C(O)CH3
  925240.1929  0.0316 -5.0752 3 1475.0229772  59516140496 096 3    95 195 3      C-13-H3C(O)CH3
  925240.1929  0.0316 -5.6834 3 1475.0229772  59516140496 196 3    95 195 3      C-13-H3C(O)CH3
  925240.1929  0.0316 -5.0752 3 1475.0229772  59516140496 196 3    95 095 3      C-13-H3C(O)CH3
  925242.3152  0.0328 -4.9331 3 1474.9616F44 -59516140496 096 1    95 095 1      C-13-H3C(O)CH3
  925242.3152  0.0328 -4.9331 3 1474.9616F44 -59516140496 196 1    95 195 1      C-13-H3C(O)CH3
  925242.3152  0.0328 -5.0312 3 1474.9616F44 -59516140496 196 1    95 095 1      C-13-H3C(O)CH3
  925242.3152  0.0328 -5.0312 3 1474.9616F44 -59516140496 096 1    95 195 1      C-13-H3C(O)CH3
  925242.4802  0.0476 -4.6883 3 1474.9616F44  59516140496 096 2    95 195 2      C-13-H3C(O)CH3
  925242.4802  0.0476 -4.6883 3 1474.9616F44  59516140496 196 2    95 095 2      C-13-H3C(O)CH3
  925244.5422  0.0320 -4.7535 3 1474.9004F44  59516140496 196 0    95 195 0      C-13-H3C(O)CH3
  925244.5422  0.0320 -5.4764 3 1474.9004F44  59516140496 196 0    95 095 0      C-13-H3C(O)CH3
  925244.5422  0.0320 -4.7535 3 1474.9004F44  59516140496 096 0    95 095 0      C-13-H3C(O)CH3
  925244.5422  0.0320 -5.4764 3 1474.9004F44  59516140496 096 0    95 195 0      C-13-H3C(O)CH3
  925253.5374  0.0092 -4.3819 3  412.8415332  595161404411823 4    401724 4      C-13-H3C(O)CH3
  925253.6363  0.0092 -4.3819 3  412.8415332  595161404411823 3    401724 3      C-13-H3C(O)CH3
  925253.6658  0.0092 -4.3819 3  412.8415332  595161404411923 4    401624 4      C-13-H3C(O)CH3
  925253.7655  0.0092 -4.3819 3  412.8415332  595161404411923 3    401624 3      C-13-H3C(O)CH3
  925414.5348  0.0183 -5.3480 3  339.4273284  5951614043527 8 3    342410 3      C-13-H3C(O)CH3
  925446.0462  0.0168 -5.1414 3  339.4411568  5951614043527 9 1    342410 1      C-13-H3C(O)CH3
  925466.1130  0.0078 -3.5442 3  705.9949792 -5951614044940 9 2    4839 9 2      C-13-H3C(O)CH3
  925470.5746  0.0059 -3.5441 3  705.9711792 -5951614044940 9 0    483910 0      C-13-H3C(O)CH3
  925470.5746  0.0059 -3.5441 3  705.9711792 -595161404494010 0    4839 9 0      C-13-H3C(O)CH3
  925510.1248  0.0199 -5.3866 3  339.4152284  5951614043527 9 4    342411 4      C-13-H3C(O)CH3
  925516.2101  0.0115 -3.8453 3  706.0198396  5951614044940 9 4    4839 9 4      C-13-H3C(O)CH3
  925520.9538  0.0070 -3.5441 3  705.9960792 -5951614044940 9 1    4839 9 1      C-13-H3C(O)CH3
  925563.9801  0.0072 -3.5441 3  705.9844792 -595161404494010 2    483910 2      C-13-H3C(O)CH3
  925598.5865  0.0106 -3.8452 3  705.9938396  595161404494010 3    483910 3      C-13-H3C(O)CH3
  925603.2315  0.0068 -3.5440 3  705.9699792 -595161404494010 1    483910 1      C-13-H3C(O)CH3
  925614.0246  0.0101 -3.8452 3  706.0094396  5951614044940 9 3    4839 9 3      C-13-H3C(O)CH3
  925628.2817  0.0124 -5.3640 3  300.7932552  595161404342213 1    331716 1      C-13-H3C(O)CH3
  925645.1010  0.0218 -5.6936 3  339.4345568  5951614043527 9 1    342411 1      C-13-H3C(O)CH3
  925663.4035  0.0232 -5.6930 3  339.4411568  5951614043527 8 1    342410 1      C-13-H3C(O)CH3
  925668.3146  0.0128 -5.3653 3  300.8136552  595161404342213 0    331716 0      C-13-H3C(O)CH3
  925696.8515  0.0098 -3.8451 3  705.9832396  595161404494010 4    483910 4      C-13-H3C(O)CH3
  925734.7035  0.0196 -5.3831 3  339.4239284  5951614043527 8 4    342410 4      C-13-H3C(O)CH3
  925761.0762  0.0121 -5.6657 3  300.7669276  595161404342213 3    331716 3      C-13-H3C(O)CH3
  925764.0023  0.0117 -5.6654 3  300.7670276  595161404342213 4    331716 4      C-13-H3C(O)CH3
  925769.9518  0.0164 -5.0582 3  339.4542568  5951614043527 8 2    342410 2      C-13-H3C(O)CH3
  925770.1101  0.0156 -5.0361 3  339.4689568  5951614043527 9 0    342410 0      C-13-H3C(O)CH3
  925807.2478  0.0123 -5.3661 3  300.7874552  595161404342213 2    331716 2      C-13-H3C(O)CH3
  925830.1782  0.0182 -5.3497 3  339.4119284  5951614043527 9 3    342411 3      C-13-H3C(O)CH3
  925831.1758  0.0667 -5.1305 3 1465.0853E48  59516140490 783 0    89 882 0      C-13-H3C(O)CH3
  925831.1758  0.0667 -4.9490 3 1465.0853E48  59516140490 783 0    89 782 0      C-13-H3C(O)CH3
  925831.1758  0.0667 -5.1305 3 1465.0853E48  59516140490 883 0    89 782 0      C-13-H3C(O)CH3
  925831.1758  0.0667 -4.9490 3 1465.0853E48  59516140490 883 0    89 882 0      C-13-H3C(O)CH3
  925850.5071  0.0911 -5.9397 3 1465.0602E48  59516140490 783 2    89 782 2      C-13-H3C(O)CH3
  925850.5071  0.0911 -5.9397 3 1465.0602E48  59516140490 883 2    89 882 2      C-13-H3C(O)CH3
  925850.5071  0.0911 -4.7568 3 1465.0602E48  59516140490 883 2    89 782 2      C-13-H3C(O)CH3
  925850.5071  0.0911 -4.7568 3 1465.0602E48  59516140490 783 2    89 882 2      C-13-H3C(O)CH3
  925850.6010  0.0960 -4.7473 3 1465.0603E48  59516140490 783 1    89 882 1      C-13-H3C(O)CH3
  925850.6010  0.0960 -4.7473 3 1465.0603E48  59516140490 883 1    89 782 1      C-13-H3C(O)CH3
  925857.3677  0.0873 -4.7358 3 1417.2655D36  595161404831568 0    821567 0      C-13-H3C(O)CH3
  925857.3677  0.0873 -4.7358 3 1417.2655D36  595161404831668 0    821667 0      C-13-H3C(O)CH3
  925862.4584  0.0166 -5.1404 3  339.4345568  5951614043527 8 1    342411 1      C-13-H3C(O)CH3
  925864.9947  0.0165 -5.0607 3  339.4422568  5951614043527 9 2    342411 2      C-13-H3C(O)CH3
  925869.9401  0.0586 -5.4397 3 1465.0352724  59516140490 883 3    89 782 3      C-13-H3C(O)CH3
  925869.9401  0.0586 -5.2445 3 1465.0352724  59516140490 883 3    89 882 3      C-13-H3C(O)CH3
  925869.9401  0.0586 -5.4397 3 1465.0352724  59516140490 783 3    89 882 3      C-13-H3C(O)CH3
  925869.9401  0.0586 -5.2445 3 1465.0352724  59516140490 783 3    89 782 3      C-13-H3C(O)CH3
  925869.9511  0.0586 -5.1745 3 1465.0352724  59516140490 783 4    89 882 4      C-13-H3C(O)CH3
  925869.9511  0.0586 -5.5788 3 1465.0352724  59516140490 883 4    89 882 4      C-13-H3C(O)CH3
  925869.9511  0.0586 -5.1745 3 1465.0352724  59516140490 883 4    89 782 4      C-13-H3C(O)CH3
  925869.9511  0.0586 -5.5788 3 1465.0352724  59516140490 783 4    89 782 4      C-13-H3C(O)CH3
  925887.9091  0.0855 -5.3628 3 1417.2774D36  595161404831568 1    821567 1      C-13-H3C(O)CH3
  925887.9091  0.0855 -5.3628 3 1417.2774D36  595161404831668 1    821667 1      C-13-H3C(O)CH3
  925887.9091  0.0855 -4.8443 3 1417.2774D36  595161404831568 1    821667 1      C-13-H3C(O)CH3
  925887.9091  0.0855 -4.8443 3 1417.2774D36  595161404831668 1    821567 1      C-13-H3C(O)CH3
  925889.0043  0.0881 -4.7391 3 1417.2775D36  595161404831668 2    821667 2      C-13-H3C(O)CH3
  925889.0043  0.0881 -4.7391 3 1417.2775D36  595161404831568 2    821567 2      C-13-H3C(O)CH3
  925919.5781  0.0777 -5.0304 3 1417.2894668  595161404831668 3    821567 3      C-13-H3C(O)CH3
  925919.5781  0.0777 -5.0304 3 1417.2894668  595161404831568 3    821667 3      C-13-H3C(O)CH3
  925919.6240  0.0777 -5.3480 3 1417.2894668  595161404831668 4    821567 4      C-13-H3C(O)CH3
  925919.6240  0.0777 -5.3480 3 1417.2894668  595161404831568 4    821667 4      C-13-H3C(O)CH3
  925919.6240  0.0777 -5.3154 3 1417.2894668  595161404831568 4    821567 4      C-13-H3C(O)CH3
  925919.6240  0.0777 -5.3154 3 1417.2894668  595161404831668 4    821667 4      C-13-H3C(O)CH3
  925924.8644  0.1005 -4.6835 3 1318.0969C08  595161404752551 0    742450 0      C-13-H3C(O)CH3
  925924.8644  0.1005 -4.6835 3 1318.0969C08  595161404752451 0    742550 0      C-13-H3C(O)CH3
  925933.2140  0.0156 -5.0360 3  339.4635568  5951614043527 8 0    342411 0      C-13-H3C(O)CH3
  925935.1132  0.1029 -5.1453 3 1318.1165C08  595161404752451 1    742450 1      C-13-H3C(O)CH3
  925935.1132  0.1029 -4.8499 3 1318.1165C08  595161404752451 1    742550 1      C-13-H3C(O)CH3
  925935.1132  0.1029 -4.8499 3 1318.1165C08  595161404752551 1    742450 1      C-13-H3C(O)CH3
  925935.1132  0.1029 -5.1453 3 1318.1165C08  595161404752551 1    742550 1      C-13-H3C(O)CH3
  925938.0904  0.1038 -5.1493 3 1318.1180C08  595161404752451 2    742450 2      C-13-H3C(O)CH3
  925938.0904  0.1038 -5.1493 3 1318.1180C08  595161404752551 2    742550 2      C-13-H3C(O)CH3
  925938.0904  0.1038 -4.8479 3 1318.1180C08  595161404752451 2    742550 2      C-13-H3C(O)CH3
  925938.0904  0.1038 -4.8479 3 1318.1180C08  595161404752551 2    742450 2      C-13-H3C(O)CH3
  925948.3606  0.0845 -4.9889 3 1318.1377604  595161404752451 3    742450 3      C-13-H3C(O)CH3
  925948.3606  0.0845 -4.9889 3 1318.1377604  595161404752551 3    742550 3      C-13-H3C(O)CH3
  925948.3810  0.0845 -5.4008 3 1318.1377604  595161404752551 4    742450 4      C-13-H3C(O)CH3
  925948.3810  0.0845 -5.4764 3 1318.1377604  595161404752451 4    742550 4      C-13-H3C(O)CH3
  925948.3810  0.0845 -5.1760 3 1318.1377604  595161404752451 4    742450 4      C-13-H3C(O)CH3
  925948.3810  0.0845 -5.1366 3 1318.1377604  595161404752551 4    742550 4      C-13-H3C(O)CH3
  925955.8067  0.0156 -5.4004 3  304.4903552  595161404342312 1    331815 1      C-13-H3C(O)CH3
  926017.5630  0.0641 -4.6126 3 1094.8229A32  595161404643529 1    633628 1      C-13-H3C(O)CH3
  926024.9146  0.0631 -4.6122 3 1094.8135A32  595161404643529 0    633628 0      C-13-H3C(O)CH3
  926031.4048  0.0742 -4.9140 3 1094.8348516  595161404643529 3    633628 3      C-13-H3C(O)CH3
  926032.6699  0.0728 -4.9140 3 1094.8348516  595161404643529 4    633628 4      C-13-H3C(O)CH3
  926040.7882  0.0770 -4.6125 3 1094.8253A32  595161404643529 2    633628 2      C-13-H3C(O)CH3
  926149.4671  0.0148 -5.4021 3  304.5087552  595161404342312 0    331815 0      C-13-H3C(O)CH3
  926158.3831  0.0185 -5.7167 3  304.4628276  595161404342312 3    331815 3      C-13-H3C(O)CH3
  926191.7573  0.0161 -5.7055 3  304.4630276  595161404342312 4    331815 4      C-13-H3C(O)CH3
  926282.1323  0.9281 -5.4486 3 1182.1285532  595161404663927 3    654026 3      C-13-H3C(O)CH3
  926307.3288  0.8941 -5.4489 3 1182.1278532  595161404663927 4    654026 4      C-13-H3C(O)CH3
  926375.6209  0.0151 -5.4126 3  304.4812552  595161404342312 2    331815 2      C-13-H3C(O)CH3
  926408.3814  0.0099 -4.6529 3  305.6825308  595161404381128 4    37 929 4      C-13-H3C(O)CH3
  926408.3814  0.0099 -4.6529 3  305.6825308  595161404381028 4    37 829 4      C-13-H3C(O)CH3
  926408.9544  0.0092 -5.6781 3  305.6825308  595161404381028 3    37 929 3      C-13-H3C(O)CH3
  926408.9544  0.0092 -4.6944 3  305.6825308  595161404381028 3    37 829 3      C-13-H3C(O)CH3
  926408.9544  0.0092 -4.6944 3  305.6825308  595161404381128 3    37 929 3      C-13-H3C(O)CH3
  926408.9544  0.0092 -5.6781 3  305.6825308  595161404381128 3    37 829 3      C-13-H3C(O)CH3
  926529.7445  0.0076 -3.6273 3  714.8253808 -595161404503812 2    493712 2      C-13-H3C(O)CH3
  926531.2590  0.4599 -5.1346 3 1106.8282516  595161404643727 3    633826 3      C-13-H3C(O)CH3
  926536.7504  0.0061 -3.6270 3  714.7868808 -595161404503813 0    493712 0      C-13-H3C(O)CH3
  926536.7504  0.0061 -3.6270 3  714.7868808 -595161404503812 0    493713 0      C-13-H3C(O)CH3
  926545.2028  0.4447 -5.1347 3 1106.8278516  595161404643727 4    633826 4      C-13-H3C(O)CH3
  926571.4112  0.0105 -3.9284 3  714.8532404  595161404503812 4    493712 4      C-13-H3C(O)CH3
  926574.8659  0.0086 -3.7365 3  725.7087824 -595161404513616 0    503515 0      C-13-H3C(O)CH3
  926578.7597  0.0071 -3.6271 3  714.8146808 -595161404503812 1    493712 1      C-13-H3C(O)CH3
  926589.6002  0.0161 -3.9066 3  739.2031840  595161404523418 0    513319 0      C-13-H3C(O)CH3
  926599.7236  0.0085 -3.7365 3  725.7081824  595161404513615 0    503516 0      C-13-H3C(O)CH3
  926624.9770  0.0088 -3.7368 3  725.7580824 -595161404513615 2    503515 2      C-13-H3C(O)CH3
  926628.2296  0.0087 -5.1295 3  305.6976616  595161404381128 2    37 929 2      C-13-H3C(O)CH3
  926628.2296  0.0087 -4.4292 3  305.6976616  595161404381128 2    37 829 2      C-13-H3C(O)CH3
  926628.2296  0.0087 -4.4292 3  305.6976616  595161404381028 2    37 929 2      C-13-H3C(O)CH3
  926628.2296  0.0087 -5.1295 3  305.6976616  595161404381028 2    37 829 2      C-13-H3C(O)CH3
  926634.4790  0.0089 -5.5102 3  305.6985616  595161404381028 1    37 829 1      C-13-H3C(O)CH3
  926634.4790  0.0089 -4.3814 3  305.6985616  595161404381028 1    37 929 1      C-13-H3C(O)CH3
  926634.4790  0.0089 -4.3814 3  305.6985616  595161404381128 1    37 829 1      C-13-H3C(O)CH3
  926634.4790  0.0089 -5.5102 3  305.6985616  595161404381128 1    37 929 1      C-13-H3C(O)CH3
  926651.1949  0.0090 -3.7367 3  725.7429824 -595161404513615 1    503515 1      C-13-H3C(O)CH3
  926664.4139  0.0103 -3.9283 3  714.8310404  595161404503813 3    493713 3      C-13-H3C(O)CH3
  926666.7416  0.0073 -3.6270 3  714.8085808 -595161404503813 2    493713 2      C-13-H3C(O)CH3
  926671.1254  0.0075 -3.6270 3  714.7924808 -595161404503813 1    493713 1      C-13-H3C(O)CH3
  926689.4922  0.0123 -4.0379 3  725.7925412  595161404513615 4    503515 4      C-13-H3C(O)CH3
  926708.4781  0.0096 -3.9281 3  714.8364404  595161404503812 3    493712 3      C-13-H3C(O)CH3
  926749.2963  0.0088 -3.7364 3  725.7143824 -595161404513616 1    503516 1      C-13-H3C(O)CH3
  926776.9497  0.0088 -3.7361 3  725.7234824 -595161404513616 2    503516 2      C-13-H3C(O)CH3
  926787.2315  0.0126 -4.0400 3  725.7640412  595161404513615 3    503515 3      C-13-H3C(O)CH3
  926801.4875  0.0106 -3.9280 3  714.8141404  595161404503813 4    493713 4      C-13-H3C(O)CH3
  926841.6270  0.0126 -4.0397 3  725.7579412  595161404513616 3    503516 3      C-13-H3C(O)CH3
  926853.3873  0.0082 -4.3587 3  305.7135616  595161404381128 0    37 829 0      C-13-H3C(O)CH3
  926853.3873  0.0082 -4.3567 3  305.7135616  595161404381028 0    37 929 0      C-13-H3C(O)CH3
  926863.4052  0.1035 -4.7380 3 1334.7474C24  595161404762453 0    752352 0      C-13-H3C(O)CH3
  926863.4052  0.1035 -5.6270 3 1334.7474C24  595161404762353 0    752352 0      C-13-H3C(O)CH3
  926863.4052  0.1035 -5.6270 3 1334.7474C24  595161404762453 0    752452 0      C-13-H3C(O)CH3
  926863.4052  0.1035 -4.7380 3 1334.7474C24  595161404762353 0    752452 0      C-13-H3C(O)CH3
  926875.0129  0.1062 -4.9506 3 1334.7670C24  595161404762453 1    752352 1      C-13-H3C(O)CH3
  926875.0129  0.1062 -5.0252 3 1334.7670C24  595161404762453 1    752452 1      C-13-H3C(O)CH3
  926875.0129  0.1062 -5.0252 3 1334.7670C24  595161404762353 1    752352 1      C-13-H3C(O)CH3
  926875.0129  0.1062 -4.9506 3 1334.7670C24  595161404762353 1    752452 1      C-13-H3C(O)CH3
  926878.0034  0.1072 -5.6107 3 1334.7684C24  595161404762453 2    752352 2      C-13-H3C(O)CH3
  926878.0034  0.1072 -4.7402 3 1334.7684C24  595161404762353 2    752352 2      C-13-H3C(O)CH3
  926878.0034  0.1072 -5.0273 3 1334.7684C24  595161404762353 2    752452 2      C-13-H3C(O)CH3
  926878.0034  0.1072 -4.9489 3 1334.7684C24  595161404762453 2    752452 2      C-13-H3C(O)CH3
  926889.6335  0.0860 -5.6513 3 1334.7881612  595161404762353 3    752352 3      C-13-H3C(O)CH3
  926889.6335  0.0860 -5.0922 3 1334.7881612  595161404762353 3    752452 3      C-13-H3C(O)CH3
  926889.6335  0.0860 -5.0922 3 1334.7881612  595161404762453 3    752352 3      C-13-H3C(O)CH3
  926889.6335  0.0860 -5.6513 3 1334.7881612  595161404762453 3    752452 3      C-13-H3C(O)CH3
  926889.6565  0.0860 -5.7906 3 1334.7881612  595161404762353 4    752352 4      C-13-H3C(O)CH3
  926889.6565  0.0860 -5.0605 3 1334.7881612  595161404762353 4    752452 4      C-13-H3C(O)CH3
  926889.6565  0.0860 -5.7906 3 1334.7881612  595161404762453 4    752452 4      C-13-H3C(O)CH3
  926889.6565  0.0860 -5.0605 3 1334.7881612  595161404762453 4    752352 4      C-13-H3C(O)CH3
  926901.1712  0.0256 -4.2147 3  739.2326420  595161404523418 3    513319 3      C-13-H3C(O)CH3
  926939.2789  0.0130 -4.0369 3  725.7293412  595161404513616 4    503516 4      C-13-H3C(O)CH3
  926990.4799  0.0708 -4.1236 3  791.8230872  595161404543421 0    533320 0      C-13-H3C(O)CH3
  926991.7073  0.0819 -5.1736 3 1428.9676D52  595161404841470 0    831569 0      C-13-H3C(O)CH3
  926991.7073  0.0819 -4.9367 3 1428.9676D52  595161404841470 0    831469 0      C-13-H3C(O)CH3
  926991.7073  0.0819 -4.9367 3 1428.9676D52  595161404841570 0    831569 0      C-13-H3C(O)CH3
  926991.7073  0.0819 -5.1736 3 1428.9676D52  595161404841570 0    831469 0      C-13-H3C(O)CH3
  926997.8874  0.0473 -3.9970 3  739.2125840  595161404523418 1    513319 1      C-13-H3C(O)CH3
  927016.9845  0.3839 -4.8315 3 1106.8136A32  595161404643727 1    633826 1      C-13-H3C(O)CH3
  927024.1271  0.0798 -5.0997 3 1428.9769D52  595161404841570 1    831569 1      C-13-H3C(O)CH3
  927024.1271  0.0798 -4.9861 3 1428.9769D52  595161404841570 1    831469 1      C-13-H3C(O)CH3
  927024.1271  0.0798 -4.9861 3 1428.9769D52  595161404841470 1    831569 1      C-13-H3C(O)CH3
  927024.1271  0.0798 -5.0997 3 1428.9769D52  595161404841470 1    831469 1      C-13-H3C(O)CH3
  927024.8892  0.0817 -4.9418 3 1428.9770D52  595161404841470 2    831469 2      C-13-H3C(O)CH3
  927024.8892  0.0817 -5.1650 3 1428.9770D52  595161404841570 2    831469 2      C-13-H3C(O)CH3
  927024.8892  0.0817 -4.9418 3 1428.9770D52  595161404841570 2    831569 2      C-13-H3C(O)CH3
  927024.8892  0.0817 -5.1650 3 1428.9770D52  595161404841470 2    831569 2      C-13-H3C(O)CH3
  927057.3410  0.0758 -5.2644 3 1428.9863676  595161404841570 3    831469 3      C-13-H3C(O)CH3
  927057.3410  0.0758 -5.4321 3 1428.9863676  595161404841570 3    831569 3      C-13-H3C(O)CH3
  927057.3410  0.0758 -5.2644 3 1428.9863676  595161404841470 3    831569 3      C-13-H3C(O)CH3
  927057.3410  0.0758 -5.4321 3 1428.9863676  595161404841470 3    831469 3      C-13-H3C(O)CH3
  927057.3883  0.0758 -5.1114 3 1428.9863676  595161404841570 4    831569 4      C-13-H3C(O)CH3
  927057.3883  0.0758 -5.1114 3 1428.9863676  595161404841470 4    831469 4      C-13-H3C(O)CH3
  927057.3883  0.0758 -5.8540 3 1428.9863676  595161404841470 4    831569 4      C-13-H3C(O)CH3
  927057.3883  0.0758 -5.8540 3 1428.9863676  595161404841570 4    831469 4      C-13-H3C(O)CH3
  927076.1411  0.0651 -5.6811 3 1472.4963E64  59516140491 785 0    90 784 0      C-13-H3C(O)CH3
  927076.1411  0.0651 -4.7837 3 1472.4963E64  59516140491 785 0    90 684 0      C-13-H3C(O)CH3
  927076.1411  0.0651 -4.7837 3 1472.4963E64  59516140491 685 0    90 784 0      C-13-H3C(O)CH3
  927076.1411  0.0651 -5.6811 3 1472.4963E64  59516140491 685 0    90 684 0      C-13-H3C(O)CH3
  927087.6198  0.0938 -4.7476 3 1472.4662E64  59516140491 685 1    90 784 1      C-13-H3C(O)CH3
  927087.6198  0.0938 -4.7476 3 1472.4662E64  59516140491 785 1    90 684 1      C-13-H3C(O)CH3
  927087.6413  0.0901 -4.9464 3 1472.4662E64  59516140491 685 2    90 684 2      C-13-H3C(O)CH3
  927087.6413  0.0901 -5.1408 3 1472.4662E64  59516140491 785 2    90 684 2      C-13-H3C(O)CH3
  927087.6413  0.0901 -4.9464 3 1472.4662E64  59516140491 785 2    90 784 2      C-13-H3C(O)CH3
  927087.6413  0.0901 -5.1408 3 1472.4662E64  59516140491 685 2    90 784 2      C-13-H3C(O)CH3
  927099.1206  0.0547 -5.5314 3 1472.4360732  59516140491 685 4    90 784 4      C-13-H3C(O)CH3
  927099.1206  0.0547 -5.5314 3 1472.4360732  59516140491 785 4    90 684 4      C-13-H3C(O)CH3
  927099.1206  0.0547 -5.1985 3 1472.4360732  59516140491 785 4    90 784 4      C-13-H3C(O)CH3
  927099.1206  0.0547 -5.1985 3 1472.4360732  59516140491 685 4    90 684 4      C-13-H3C(O)CH3
  927099.1273  0.0547 -5.1872 3 1472.4361732  59516140491 785 3    90 784 3      C-13-H3C(O)CH3
  927099.1273  0.0547 -5.1872 3 1472.4361732  59516140491 685 3    90 684 3      C-13-H3C(O)CH3
  927099.1273  0.0547 -5.5567 3 1472.4361732  59516140491 685 3    90 784 3      C-13-H3C(O)CH3
  927099.1273  0.0547 -5.5567 3 1472.4361732  59516140491 785 3    90 684 3      C-13-H3C(O)CH3
  927104.3887  0.7518 -5.1452 3 1182.1084A64  595161404663927 1    654026 1      C-13-H3C(O)CH3
  927183.0563  0.0753 -4.0472 3  739.2146840  595161404523418 2    513319 2      C-13-H3C(O)CH3
  927210.3347  0.5208 -4.8308 3 1106.8144A32  595161404643727 2    633826 2      C-13-H3C(O)CH3
  927452.4708  0.0566 -4.1239 3  791.8200872  595161404543421 1    533320 1      C-13-H3C(O)CH3
  927496.7859  1.0339 -5.1441 3 1182.1073A64  595161404663927 2    654026 2      C-13-H3C(O)CH3
  927548.7100  0.0824 -4.1244 3  791.8177872  595161404543421 2    533320 2      C-13-H3C(O)CH3
  927553.3852  0.0343 -4.0072 3  765.1624856  595161404533420 0    523319 0      C-13-H3C(O)CH3
  927680.7355  0.4118 -4.8287 3 1106.8002A32  595161404643727 0    633826 0      C-13-H3C(O)CH3
  927707.8679  0.0603 -4.3735 3  765.1811428  595161404533420 4    523319 4      C-13-H3C(O)CH3
  927761.0412  0.0278 -4.0198 3  765.1693856  595161404533420 1    523319 1      C-13-H3C(O)CH3
  927778.1194  0.0321 -4.0274 3  765.1705856  595161404533420 2    523319 2      C-13-H3C(O)CH3
  927838.2103  0.1058 -5.5377 3 1350.8397C40  595161404772255 0    762254 0      C-13-H3C(O)CH3
  927838.2103  0.1058 -4.7663 3 1350.8397C40  595161404772355 0    762254 0      C-13-H3C(O)CH3
  927838.2103  0.1058 -5.5377 3 1350.8397C40  595161404772355 0    762354 0      C-13-H3C(O)CH3
  927838.2103  0.1058 -4.7663 3 1350.8397C40  595161404772255 0    762354 0      C-13-H3C(O)CH3
  927851.4670  0.1087 -4.7851 3 1350.8592C40  595161404772255 1    762254 1      C-13-H3C(O)CH3
  927851.4670  0.1087 -4.7851 3 1350.8592C40  595161404772355 1    762354 1      C-13-H3C(O)CH3
  927851.4670  0.1087 -5.4412 3 1350.8592C40  595161404772255 1    762354 1      C-13-H3C(O)CH3
  927851.4670  0.1087 -5.4412 3 1350.8592C40  595161404772355 1    762254 1      C-13-H3C(O)CH3
  927854.4170  0.1099 -4.7014 3 1350.8605C40  595161404772255 2    762254 2      C-13-H3C(O)CH3
  927854.4170  0.1099 -4.7014 3 1350.8605C40  595161404772355 2    762354 2      C-13-H3C(O)CH3
  927867.6974  0.0872 -5.0919 3 1350.8801620  595161404772255 3    762354 3      C-13-H3C(O)CH3
  927867.6974  0.0872 -5.0662 3 1350.8801620  595161404772355 3    762254 3      C-13-H3C(O)CH3
  927867.6974  0.0872 -5.7169 3 1350.8801620  595161404772355 3    762354 3      C-13-H3C(O)CH3
  927867.6974  0.0872 -5.8458 3 1350.8801620  595161404772255 3    762254 3      C-13-H3C(O)CH3
  927867.7230  0.0872 -5.9462 3 1350.8801620  595161404772255 4    762354 4      C-13-H3C(O)CH3
  927867.7230  0.0872 -5.0516 3 1350.8801620  595161404772255 4    762254 4      C-13-H3C(O)CH3
  927867.7230  0.0872 -5.0745 3 1350.8801620  595161404772355 4    762254 4      C-13-H3C(O)CH3
  927867.7230  0.0872 -5.7990 3 1350.8801620  595161404772355 4    762354 4      C-13-H3C(O)CH3
  927868.2696  0.0141 -4.8973 3  266.4182300  59516140437 830 4    36 631 4      C-13-H3C(O)CH3
  927868.2696  0.0141 -4.8973 3  266.4182300  59516140437 730 4    36 531 4      C-13-H3C(O)CH3
  927868.7932  0.0127 -5.7452 3  266.4181300  59516140437 730 3    36 631 3      C-13-H3C(O)CH3
  927868.7932  0.0127 -4.9529 3  266.4181300  59516140437 730 3    36 531 3      C-13-H3C(O)CH3
  927868.7932  0.0127 -5.7452 3  266.4181300  59516140437 830 3    36 531 3      C-13-H3C(O)CH3
  927868.7932  0.0127 -4.9529 3  266.4181300  59516140437 830 3    36 631 3      C-13-H3C(O)CH3
  927885.5248  0.0532 -4.4317 3  791.8165436  595161404543421 4    533320 4      C-13-H3C(O)CH3
  927976.7985  0.0212 -4.0672 3  505.7726712  595161404442420 2    432321 2      C-13-H3C(O)CH3
  927996.7932  0.0121 -4.0674 3  505.7967712  595161404442420 0    432321 0      C-13-H3C(O)CH3
  928017.8108  0.0222 -4.3680 3  505.7521356  595161404442420 3    432321 3      C-13-H3C(O)CH3
  928019.8852  0.0225 -4.3680 3  505.7521356  595161404442420 4    432321 4      C-13-H3C(O)CH3
  928038.7632  0.0117 -4.0671 3  505.7762712  595161404442420 1    432321 1      C-13-H3C(O)CH3
  928052.0189  0.0120 -3.4158 3  702.4759760  5951614044745 3 0    4644 3 0      C-13-H3C(O)CH3
  928052.0189  0.0120 -3.4158 3  702.4759760  5951614044745 2 0    4644 2 0      C-13-H3C(O)CH3
  928086.0375  0.1362 -4.5449 3  739.2165420  595161404523418 4    513319 4      C-13-H3C(O)CH3
  928120.8983  0.0877 -4.4200 3  791.8135436  595161404543421 3    533320 3      C-13-H3C(O)CH3
  928121.7476  0.0130 -3.4158 3  702.5320760 -5951614044745 2 1    4644 2 1      C-13-H3C(O)CH3
  928140.2730  0.0765 -4.7536 3 1440.1345D68  595161404851372 0    841371 0      C-13-H3C(O)CH3
  928140.2730  0.0765 -4.7536 3 1440.1345D68  595161404851472 0    841471 0      C-13-H3C(O)CH3
  928153.6725  0.0314 -4.0041 3  734.2025840  595161404523319 0    513220 0      C-13-H3C(O)CH3
  928159.1419  0.0416 -4.3018 3  734.2141420  595161404523319 3    513220 3      C-13-H3C(O)CH3
  928160.4558  0.0137 -3.4158 3  702.5061760 -5951614044745 2 2    4644 2 2      C-13-H3C(O)CH3
  928174.1203  0.0751 -5.1556 3 1440.1407D68  595161404851372 1    841371 1      C-13-H3C(O)CH3
  928174.1203  0.0751 -4.9608 3 1440.1407D68  595161404851372 1    841471 1      C-13-H3C(O)CH3
  928174.1203  0.0751 -5.1556 3 1440.1407D68  595161404851472 1    841471 1      C-13-H3C(O)CH3
  928174.1203  0.0751 -4.9608 3 1440.1407D68  595161404851472 1    841371 1      C-13-H3C(O)CH3
  928174.5699  0.0758 -4.7464 3 1440.1406D68  595161404851372 2    841471 2      C-13-H3C(O)CH3
  928174.5699  0.0758 -4.7648 3 1440.1406D68  595161404851472 2    841371 2      C-13-H3C(O)CH3
  928208.4478  0.0738 -5.2199 3 1440.1468684  595161404851372 3    841371 3      C-13-H3C(O)CH3
  928208.4478  0.0738 -5.5316 3 1440.1468684  595161404851372 3    841471 3      C-13-H3C(O)CH3
  928208.4478  0.0738 -5.5316 3 1440.1468684  595161404851472 3    841371 3      C-13-H3C(O)CH3
  928208.4478  0.0738 -5.2199 3 1440.1468684  595161404851472 3    841471 3      C-13-H3C(O)CH3
  928208.4959  0.0738 -5.7264 3 1440.1468684  595161404851472 4    841371 4      C-13-H3C(O)CH3
  928208.4959  0.0738 -5.1494 3 1440.1468684  595161404851472 4    841471 4      C-13-H3C(O)CH3
  928208.4959  0.0738 -5.1494 3 1440.1468684  595161404851372 4    841371 4      C-13-H3C(O)CH3
  928208.4959  0.0738 -5.7264 3 1440.1468684  595161404851372 4    841471 4      C-13-H3C(O)CH3
  928215.0872  0.0142 -3.4157 3  702.4564760 -5951614044745 3 2    4644 3 2      C-13-H3C(O)CH3
  928225.9870  0.0323 -4.0068 3  734.2070840  595161404523319 1    513220 1      C-13-H3C(O)CH3
  928230.7379  0.0190 -3.7168 3  702.5622380  5951614044745 2 4    4644 2 4      C-13-H3C(O)CH3
  928247.5203  0.0328 -4.0090 3  734.2075840  595161404523319 2    513220 2      C-13-H3C(O)CH3
  928267.1974  0.0383 -4.3059 3  765.1741428  595161404533420 3    523319 3      C-13-H3C(O)CH3
  928274.2308  0.0133 -3.4156 3  702.4798760 -5951614044745 3 1    4644 3 1      C-13-H3C(O)CH3
  928284.8511  0.0200 -3.7167 3  702.5125380  5951614044745 3 3    4644 2 3      C-13-H3C(O)CH3
  928293.2563  0.0103 -4.6246 3  266.4146600  59516140437 730 2    36 531 2      C-13-H3C(O)CH3
  928293.2563  0.0103 -5.6607 3  266.4146600  59516140437 730 2    36 631 2      C-13-H3C(O)CH3
  928293.2563  0.0103 -4.6246 3  266.4146600  59516140437 830 2    36 631 2      C-13-H3C(O)CH3
  928293.2563  0.0103 -5.6607 3  266.4146600  59516140437 830 2    36 531 2      C-13-H3C(O)CH3
  928297.7986  0.0112 -4.6015 3  266.4152600  59516140437 830 1    36 631 1      C-13-H3C(O)CH3
  928297.7986  0.0112 -4.6015 3  266.4152600  59516140437 730 1    36 531 1      C-13-H3C(O)CH3
  928302.2607  0.8075 -5.1415 3 1182.0877A64  595161404663927 0    654026 0      C-13-H3C(O)CH3
  928335.7619  0.0591 -5.5725 3 1479.3780E80  59516140492 587 0    91 586 0      C-13-H3C(O)CH3
  928335.7619  0.0591 -4.8016 3 1479.3780E80  59516140492 587 0    91 686 0      C-13-H3C(O)CH3
  928335.7619  0.0591 -5.5725 3 1479.3780E80  59516140492 687 0    91 686 0      C-13-H3C(O)CH3
  928335.7619  0.0591 -4.8016 3 1479.3780E80  59516140492 687 0    91 586 0      C-13-H3C(O)CH3
  928337.8585  0.0835 -5.4445 3 1479.3445E80  59516140492 587 1    91 586 1      C-13-H3C(O)CH3
  928337.8585  0.0835 -4.8275 3 1479.3445E80  59516140492 687 1    91 586 1      C-13-H3C(O)CH3
  928337.8585  0.0835 -5.4445 3 1479.3445E80  59516140492 687 1    91 686 1      C-13-H3C(O)CH3
  928337.8585  0.0835 -4.8275 3 1479.3445E80  59516140492 587 1    91 686 1      C-13-H3C(O)CH3
  928337.9689  0.0814 -5.1717 3 1479.3444E80  59516140492 587 2    91 686 2      C-13-H3C(O)CH3
  928337.9689  0.0814 -5.1717 3 1479.3444E80  59516140492 687 2    91 586 2      C-13-H3C(O)CH3
  928337.9689  0.0814 -4.9305 3 1479.3444E80  59516140492 587 2    91 586 2      C-13-H3C(O)CH3
  928337.9689  0.0814 -4.9305 3 1479.3444E80  59516140492 687 2    91 686 2      C-13-H3C(O)CH3
  928340.0498  0.0487 -5.0624 3 1479.3107740  59516140492 587 4    91 686 4      C-13-H3C(O)CH3
  928340.0498  0.0487 -5.0624 3 1479.3107740  59516140492 687 4    91 586 4      C-13-H3C(O)CH3
  928340.0751  0.0487 -5.0385 3 1479.3108740  59516140492 587 3    91 686 3      C-13-H3C(O)CH3
  928340.0751  0.0487 -5.0385 3 1479.3108740  59516140492 687 3    91 586 3      C-13-H3C(O)CH3
  928382.6410  0.0202 -3.7166 3  702.5099380  5951614044745 2 3    4644 3 3      C-13-H3C(O)CH3
  928436.7146  0.0220 -3.7165 3  702.4602380  5951614044745 3 4    4644 3 4      C-13-H3C(O)CH3
  928444.0338  0.0172 -5.8401 3  407.0758316  595161404392614 4    382316 4      C-13-H3C(O)CH3
  928489.7128  0.0419 -4.3239 3  734.2101420  595161404523319 4    513220 4      C-13-H3C(O)CH3
  928509.1625  0.0152 -5.7767 3  407.0966632  595161404392614 2    382316 2      C-13-H3C(O)CH3
  928574.0011  0.0736 -4.6092 3 1094.7502A32  595161404643629 0    633528 0      C-13-H3C(O)CH3
  928644.1727  0.0219 -5.3582 3  226.5234292  59516140436 432 3    35 333 3      C-13-H3C(O)CH3
  928644.1727  0.0219 -5.3383 3  226.5234292  59516140436 532 3    35 233 3      C-13-H3C(O)CH3
  928644.2446  0.0238 -5.3450 3  226.5234292  59516140436 432 4    35 333 4      C-13-H3C(O)CH3
  928644.2446  0.0238 -5.3450 3  226.5234292  59516140436 532 4    35 233 4      C-13-H3C(O)CH3
  928685.4609  0.0651 -4.6094 3 1094.7597A32  595161404643629 2    633528 2      C-13-H3C(O)CH3
  928704.4898  0.0642 -4.6095 3 1094.7564A32  595161404643629 1    633528 1      C-13-H3C(O)CH3
  928721.4613  0.0100 -4.6416 3  266.4116600  59516140437 830 0    36 531 0      C-13-H3C(O)CH3
  928721.4613  0.0100 -5.5049 3  266.4116600  59516140437 830 0    36 631 0      C-13-H3C(O)CH3
  928721.4613  0.0100 -4.6416 3  266.4116600  59516140437 730 0    36 631 0      C-13-H3C(O)CH3
  928721.4613  0.0100 -5.5049 3  266.4116600  59516140437 730 0    36 531 0      C-13-H3C(O)CH3
  928817.6742  0.0462 -4.9107 3 1094.7658516  595161404643629 4    633528 4      C-13-H3C(O)CH3
  928818.5849  0.0472 -4.9107 3 1094.7658516  595161404643629 3    633528 3      C-13-H3C(O)CH3
  928843.3639  0.1073 -5.9801 3 1366.3781C56  595161404782157 0    772256 0      C-13-H3C(O)CH3
  928843.3639  0.1073 -4.7353 3 1366.3781C56  595161404782157 0    772156 0      C-13-H3C(O)CH3
  928843.3639  0.1073 -4.7653 3 1366.3781C56  595161404782257 0    772256 0      C-13-H3C(O)CH3
  928843.3639  0.1073 -5.6427 3 1366.3781C56  595161404782257 0    772156 0      C-13-H3C(O)CH3
  928851.8870  0.0363 -4.3188 3  518.9353712  595161404442817 0    432518 0      C-13-H3C(O)CH3
  928858.5303  0.1103 -5.4696 3 1366.3974C56  595161404782257 1    772156 1      C-13-H3C(O)CH3
  928858.5303  0.1103 -4.7470 3 1366.3974C56  595161404782257 1    772256 1      C-13-H3C(O)CH3
  928858.5303  0.1103 -4.7945 3 1366.3974C56  595161404782157 1    772156 1      C-13-H3C(O)CH3
  928858.5303  0.1103 -5.8137 3 1366.3974C56  595161404782157 1    772256 1      C-13-H3C(O)CH3
  928861.3832  0.1117 -4.7288 3 1366.3986C56  595161404782257 2    772256 2      C-13-H3C(O)CH3
  928861.3832  0.1117 -4.7288 3 1366.3986C56  595161404782157 2    772156 2      C-13-H3C(O)CH3
  928876.5748  0.0879 -5.9045 3 1366.4180628  595161404782157 3    772156 3      C-13-H3C(O)CH3
  928876.5748  0.0879 -5.0719 3 1366.4180628  595161404782157 3    772256 3      C-13-H3C(O)CH3
  928876.5748  0.0879 -5.9045 3 1366.4180628  595161404782257 3    772256 3      C-13-H3C(O)CH3
  928876.5748  0.0879 -5.0719 3 1366.4180628  595161404782257 3    772156 3      C-13-H3C(O)CH3
  928876.6032  0.0879 -5.0815 3 1366.4180628  595161404782157 4    772156 4      C-13-H3C(O)CH3
  928876.6032  0.0879 -5.8441 3 1366.4180628  595161404782257 4    772156 4      C-13-H3C(O)CH3
  928876.6032  0.0879 -5.5009 3 1366.4180628  595161404782157 4    772256 4      C-13-H3C(O)CH3
  928876.6032  0.0879 -5.1828 3 1366.4180628  595161404782257 4    772256 4      C-13-H3C(O)CH3
  928947.7387  0.2483 -4.5630 3 1002.8398984  595161404613626 0    603525 0      C-13-H3C(O)CH3
  928994.8572  0.0075 -4.0621 3  443.7580680  595161404422022 0    411923 0      C-13-H3C(O)CH3
  928999.3132  0.0075 -4.0621 3  443.7580680  595161404422122 0    411823 0      C-13-H3C(O)CH3
  929049.0530  0.0098 -4.0619 3  443.7302680  595161404422022 2    411923 2      C-13-H3C(O)CH3
  929053.8272  0.0098 -4.0619 3  443.7302680  595161404422122 2    411823 2      C-13-H3C(O)CH3
  929064.1001  0.0081 -4.0618 3  443.7326680  595161404422022 1    411923 1      C-13-H3C(O)CH3
  929068.7196  0.0081 -4.0618 3  443.7326680  595161404422122 1    411823 1      C-13-H3C(O)CH3
  929118.4612  0.0107 -4.3626 3  443.7047340  595161404422022 3    411923 3      C-13-H3C(O)CH3
  929118.4923  0.0107 -4.3626 3  443.7046340  595161404422022 4    411923 4      C-13-H3C(O)CH3
  929123.4127  0.0107 -4.3626 3  443.7047340  595161404422122 3    411823 3      C-13-H3C(O)CH3
  929123.4254  0.0107 -4.3626 3  443.7046340  595161404422122 4    411823 4      C-13-H3C(O)CH3
  929234.4060  0.0315 -4.3205 3  518.9124712  595161404442817 1    432518 1      C-13-H3C(O)CH3
  929302.7990  0.0717 -4.8468 3 1450.7676D84  595161404861274 0    851373 0      C-13-H3C(O)CH3
  929302.7990  0.0717 -5.4685 3 1450.7676D84  595161404861274 0    851273 0      C-13-H3C(O)CH3
  929302.7990  0.0717 -4.8705 3 1450.7676D84  595161404861374 0    851273 0      C-13-H3C(O)CH3
  929302.7990  0.0717 -5.3814 3 1450.7676D84  595161404861374 0    851373 0      C-13-H3C(O)CH3
  929337.4220  0.0732 -4.9468 3 1450.7701D84  595161404861374 1    851373 1      C-13-H3C(O)CH3
  929337.4220  0.0732 -5.1988 3 1450.7701D84  595161404861274 1    851373 1      C-13-H3C(O)CH3
  929337.4220  0.0732 -4.9468 3 1450.7701D84  595161404861274 1    851273 1      C-13-H3C(O)CH3
  929337.4220  0.0732 -5.1988 3 1450.7701D84  595161404861374 1    851273 1      C-13-H3C(O)CH3
  929337.6000  0.0719 -4.7897 3 1450.7699D84  595161404861274 2    851273 2      C-13-H3C(O)CH3
  929337.6000  0.0719 -5.8542 3 1450.7699D84  595161404861274 2    851373 2      C-13-H3C(O)CH3
  929337.6000  0.0719 -4.7897 3 1450.7699D84  595161404861374 2    851373 2      C-13-H3C(O)CH3
  929337.6000  0.0719 -5.8542 3 1450.7699D84  595161404861374 2    851273 2      C-13-H3C(O)CH3
  929364.7684  0.0235 -5.9339 3  226.4872584  59516140436 532 2    35 333 2      C-13-H3C(O)CH3
  929364.7684  0.0235 -5.9411 3  226.4872584  59516140436 532 2    35 233 2      C-13-H3C(O)CH3
  929364.7684  0.0235 -5.0922 3  226.4872584  59516140436 432 2    35 233 2      C-13-H3C(O)CH3
  929364.7684  0.0235 -5.0933 3  226.4872584  59516140436 432 2    35 333 2      C-13-H3C(O)CH3
  929367.1381  0.0252 -5.3134 3  226.4877584  59516140436 432 1    35 333 1      C-13-H3C(O)CH3
  929367.1381  0.0252 -5.3597 3  226.4877584  59516140436 432 1    35 233 1      C-13-H3C(O)CH3
  929367.1381  0.0252 -5.3597 3  226.4877584  59516140436 532 1    35 333 1      C-13-H3C(O)CH3
  929367.1381  0.0252 -5.3134 3  226.4877584  59516140436 532 1    35 233 1      C-13-H3C(O)CH3
  929372.2511  0.0719 -5.8197 3 1450.7724692  595161404861374 3    851273 3      C-13-H3C(O)CH3
  929372.2511  0.0719 -5.1366 3 1450.7724692  595161404861374 3    851373 3      C-13-H3C(O)CH3
  929372.2511  0.0719 -5.8197 3 1450.7724692  595161404861274 3    851373 3      C-13-H3C(O)CH3
  929372.2511  0.0719 -5.1366 3 1450.7724692  595161404861274 3    851273 3      C-13-H3C(O)CH3
  929372.2991  0.0719 -5.4223 3 1450.7724692  595161404861274 4    851273 4      C-13-H3C(O)CH3
  929372.2991  0.0719 -5.4223 3 1450.7724692  595161404861374 4    851373 4      C-13-H3C(O)CH3
  929372.2991  0.0719 -5.2981 3 1450.7724692  595161404861274 4    851373 4      C-13-H3C(O)CH3
  929372.2991  0.0719 -5.2981 3 1450.7724692  595161404861374 4    851273 4      C-13-H3C(O)CH3
  929590.0443  0.2984 -4.5631 3 1002.8283984  595161404613626 2    603525 2      C-13-H3C(O)CH3
  929593.5133  0.0404 -5.0434 3 1485.6614748  59516140493 589 4    92 588 4      C-13-H3C(O)CH3
  929593.5133  0.0404 -5.0434 3 1485.6614748  59516140493 489 4    92 488 4      C-13-H3C(O)CH3
  929593.5521  0.0404 -5.4527 3 1485.6614748  59516140493 489 3    92 488 3      C-13-H3C(O)CH3
  929593.5521  0.0404 -5.1972 3 1485.6614748  59516140493 589 3    92 488 3      C-13-H3C(O)CH3
  929593.5521  0.0404 -5.2449 3 1485.6614748  59516140493 489 3    92 588 3      C-13-H3C(O)CH3
  929593.5521  0.0404 -5.5428 3 1485.6614748  59516140493 589 3    92 588 3      C-13-H3C(O)CH3
  929601.3619  0.0647 -4.9919 3 1485.6955E96  59516140493 589 1    92 488 1      C-13-H3C(O)CH3
  929601.3619  0.0647 -5.0840 3 1485.6955E96  59516140493 589 1    92 588 1      C-13-H3C(O)CH3
  929601.3619  0.0647 -5.0840 3 1485.6955E96  59516140493 489 1    92 488 1      C-13-H3C(O)CH3
  929601.3619  0.0647 -4.9919 3 1485.6955E96  59516140493 489 1    92 588 1      C-13-H3C(O)CH3
  929601.4812  0.0645 -4.7912 3 1485.6953E96  59516140493 489 2    92 488 2      C-13-H3C(O)CH3
  929601.4812  0.0645 -4.7912 3 1485.6953E96  59516140493 589 2    92 588 2      C-13-H3C(O)CH3
  929601.4812  0.0645 -5.6467 3 1485.6953E96  59516140493 489 2    92 588 2      C-13-H3C(O)CH3
  929601.4812  0.0645 -5.6467 3 1485.6953E96  59516140493 589 2    92 488 2      C-13-H3C(O)CH3
  929609.3027  0.0478 -5.1810 3 1485.7294E96  59516140493 589 0    92 488 0      C-13-H3C(O)CH3
  929609.3027  0.0478 -4.9268 3 1485.7294E96  59516140493 589 0    92 588 0      C-13-H3C(O)CH3
  929609.3027  0.0478 -5.1810 3 1485.7294E96  59516140493 489 0    92 588 0      C-13-H3C(O)CH3
  929609.3027  0.0478 -4.9268 3 1485.7294E96  59516140493 489 0    92 488 0      C-13-H3C(O)CH3
  929627.9710  0.6852 -5.2828 3 1144.1777524  595161404653827 3    643926 3      C-13-H3C(O)CH3
  929647.1027  0.6621 -5.2829 3 1144.1772524  595161404653827 4    643926 4      C-13-H3C(O)CH3
  929647.7090  0.2170 -4.5630 3 1002.8252984  595161404613626 1    603525 1      C-13-H3C(O)CH3
  929657.2127  0.0474 -4.3240 3  518.8988712  595161404442817 2    432518 2      C-13-H3C(O)CH3
  929874.3853  0.1079 -5.5867 3 1381.3662C72  595161404792059 0    782158 0      C-13-H3C(O)CH3
  929874.3853  0.1079 -4.7878 3 1381.3662C72  595161404792159 0    782158 0      C-13-H3C(O)CH3
  929874.3853  0.1079 -4.7878 3 1381.3662C72  595161404792059 0    782058 0      C-13-H3C(O)CH3
  929874.3853  0.1079 -5.5867 3 1381.3662C72  595161404792159 0    782058 0      C-13-H3C(O)CH3
  929891.6893  0.1108 -4.7348 3 1381.3852C72  595161404792059 1    782058 1      C-13-H3C(O)CH3
  929891.6893  0.1108 -4.7348 3 1381.3852C72  595161404792159 1    782158 1      C-13-H3C(O)CH3
  929894.3879  0.1126 -5.0394 3 1381.3862C72  595161404792159 2    782158 2      C-13-H3C(O)CH3
  929894.3879  0.1126 -5.0107 3 1381.3862C72  595161404792159 2    782058 2      C-13-H3C(O)CH3
  929894.3879  0.1126 -5.0107 3 1381.3862C72  595161404792059 2    782158 2      C-13-H3C(O)CH3
  929894.3879  0.1126 -5.0394 3 1381.3862C72  595161404792059 2    782058 2      C-13-H3C(O)CH3
  929911.7185  0.0881 -5.8222 3 1381.4052636  595161404792059 3    782058 3      C-13-H3C(O)CH3
  929911.7185  0.0881 -5.1002 3 1381.4052636  595161404792059 3    782158 3      C-13-H3C(O)CH3
  929911.7185  0.0881 -5.8222 3 1381.4052636  595161404792159 3    782158 3      C-13-H3C(O)CH3
  929911.7185  0.0881 -5.1002 3 1381.4052636  595161404792159 3    782058 3      C-13-H3C(O)CH3
  929911.7496  0.0881 -5.0439 3 1381.4052636  595161404792059 4    782158 4      C-13-H3C(O)CH3
  929911.7496  0.0881 -5.0439 3 1381.4052636  595161404792159 4    782058 4      C-13-H3C(O)CH3
  929955.1730  0.0073 -3.4686 3  707.2490776 -5951614044843 6 0    4742 6 0      C-13-H3C(O)CH3
  929955.1730  0.0073 -3.4686 3  707.2490776 -5951614044843 5 0    4742 5 0      C-13-H3C(O)CH3
  929969.9000  0.0415 -4.6290 3  518.8760356  595161404442817 4    432518 4      C-13-H3C(O)CH3
  929982.5975  0.0131 -4.6669 3  407.1221632  595161404392613 0    382316 0      C-13-H3C(O)CH3
  930003.0418  0.0089 -3.4686 3  707.2660776 -5951614044843 5 2    4742 5 2      C-13-H3C(O)CH3
  930023.8538  0.0082 -3.4686 3  707.2857776 -5951614044843 5 1    4742 5 1      C-13-H3C(O)CH3
  930057.3318  0.0084 -3.4686 3  707.2414776 -5951614044843 6 2    4742 6 2      C-13-H3C(O)CH3
  930062.6835  0.1455 -5.7237 3  744.6939420  595161404523518 4    513417 4      C-13-H3C(O)CH3
  930071.5864  0.0130 -3.7696 3  707.3025388  5951614044843 5 4    4742 5 4      C-13-H3C(O)CH3
  930086.1717  0.0222 -5.0539 3  226.4516584  59516140436 532 0    35 333 0      C-13-H3C(O)CH3
  930086.1717  0.0222 -5.0539 3  226.4516584  59516140436 432 0    35 233 0      C-13-H3C(O)CH3
  930102.7989  0.0151 -4.6746 3  407.1014632  595161404392613 1    382316 1      C-13-H3C(O)CH3
  930103.2657  0.0464 -4.6245 3  518.8757356  595161404442817 3    432518 3      C-13-H3C(O)CH3
  930125.4819  0.0123 -3.7696 3  707.2781388  5951614044843 5 3    4742 5 3      C-13-H3C(O)CH3
  930127.2916  0.0081 -3.4685 3  707.2448776 -5951614044843 6 1    4742 6 1      C-13-H3C(O)CH3
  930174.4223  0.0126 -3.7695 3  707.2617388  5951614044843 6 3    4742 6 3      C-13-H3C(O)CH3
  930211.0423  0.0109 -4.0663 3  505.7928712  595161404442520 0    432221 0      C-13-H3C(O)CH3
  930228.9024  0.0126 -3.7695 3  707.2372388  5951614044843 6 4    4742 6 4      C-13-H3C(O)CH3
  930275.6456  0.0153 -4.0661 3  505.7685712  595161404442520 2    432221 2      C-13-H3C(O)CH3
  930291.3867  0.2441 -4.8641 3 1002.8137492  595161404613626 4    603525 4      C-13-H3C(O)CH3
  930295.6348  0.0113 -4.0660 3  505.7722712  595161404442520 1    432221 1      C-13-H3C(O)CH3
  930301.9778  0.2514 -4.8640 3 1002.8135492  595161404613626 3    603525 3      C-13-H3C(O)CH3
  930301.9964  0.5639 -4.9793 3 1144.1605A48  595161404653827 1    643926 1      C-13-H3C(O)CH3
  930360.0274  0.0163 -4.3669 3  505.7478356  595161404442520 4    432221 4      C-13-H3C(O)CH3
  930361.5274  0.0162 -4.3669 3  505.7479356  595161404442520 3    432221 3      C-13-H3C(O)CH3
  930479.2283  0.0685 -4.8253 3 1460.8682E00  595161404871276 0    861275 0      C-13-H3C(O)CH3
  930479.2283  0.0685 -5.6189 3 1460.8682E00  595161404871276 0    861175 0      C-13-H3C(O)CH3
  930479.2283  0.0685 -5.6189 3 1460.8682E00  595161404871176 0    861275 0      C-13-H3C(O)CH3
  930479.2283  0.0685 -4.8253 3 1460.8682E00  595161404871176 0    861175 0      C-13-H3C(O)CH3
  930499.0543  0.0187 -4.9786 3  407.0760316  595161404392613 3    382316 3      C-13-H3C(O)CH3
  930513.7100  0.0718 -6.0097 3 1460.8661E00  595161404871176 2    861175 2      C-13-H3C(O)CH3
  930513.7100  0.0718 -4.7856 3 1460.8661E00  595161404871176 2    861275 2      C-13-H3C(O)CH3
  930513.7100  0.0718 -4.7856 3 1460.8661E00  595161404871276 2    861175 2      C-13-H3C(O)CH3
  930513.7100  0.0718 -6.0097 3 1460.8661E00  595161404871276 2    861275 2      C-13-H3C(O)CH3
  930513.7434  0.0753 -5.8093 3 1460.8664E00  595161404871276 1    861275 1      C-13-H3C(O)CH3
  930513.7434  0.0753 -4.8011 3 1460.8664E00  595161404871276 1    861175 1      C-13-H3C(O)CH3
  930513.7434  0.0753 -4.8011 3 1460.8664E00  595161404871176 1    861275 1      C-13-H3C(O)CH3
  930513.7434  0.0753 -5.8093 3 1460.8664E00  595161404871176 1    861175 1      C-13-H3C(O)CH3
  930523.9113  0.0218 -4.7022 3  407.0966632  595161404392613 2    382316 2      C-13-H3C(O)CH3
  930548.2498  0.0701 -5.1598 3 1460.8643700  595161404871176 3    861275 3      C-13-H3C(O)CH3
  930548.2498  0.0701 -5.7547 3 1460.8643700  595161404871176 3    861175 3      C-13-H3C(O)CH3
  930548.2498  0.0701 -5.7547 3 1460.8643700  595161404871276 3    861275 3      C-13-H3C(O)CH3
  930548.2498  0.0701 -5.1598 3 1460.8643700  595161404871276 3    861175 3      C-13-H3C(O)CH3
  930548.2963  0.0701 -5.2784 3 1460.8643700  595161404871176 4    861275 4      C-13-H3C(O)CH3
  930548.2963  0.0701 -5.2784 3 1460.8643700  595161404871276 4    861175 4      C-13-H3C(O)CH3
  930548.2963  0.0701 -5.4670 3 1460.8643700  595161404871276 4    861275 4      C-13-H3C(O)CH3
  930548.2963  0.0701 -5.4670 3 1460.8643700  595161404871176 4    861175 4      C-13-H3C(O)CH3
  930549.1103  0.0085 -4.4482 3  375.0994324  595161404401525 4    391426 4      C-13-H3C(O)CH3
  930549.1104  0.0085 -4.4482 3  375.0994324  595161404401625 4    391326 4      C-13-H3C(O)CH3
  930549.4014  0.0084 -4.4482 3  375.0994324  595161404401525 3    391426 3      C-13-H3C(O)CH3
  930549.4015  0.0084 -4.4482 3  375.0994324  595161404401625 3    391326 3      C-13-H3C(O)CH3
  930564.4232  0.0079 -4.1474 3  375.1264648  595161404401525 2    391426 2      C-13-H3C(O)CH3
  930564.4233  0.0079 -4.1474 3  375.1264648  595161404401625 2    391326 2      C-13-H3C(O)CH3
  930572.8152  0.0078 -4.1473 3  375.1278648  595161404401525 1    391426 1      C-13-H3C(O)CH3
  930572.8153  0.0078 -4.1473 3  375.1278648  595161404401625 1    391326 1      C-13-H3C(O)CH3
  930587.8414  0.0066 -4.1475 3  375.1548648  595161404401525 0    391426 0      C-13-H3C(O)CH3
  930587.8415  0.0066 -4.1475 3  375.1548648  595161404401625 0    391326 0      C-13-H3C(O)CH3
  930592.7355  0.7709 -4.9784 3 1144.1605A48  595161404653827 2    643926 2      C-13-H3C(O)CH3
  930612.5534  1.6274 -6.0038 3 1374.8215572  595161404714328 3    704427 3      C-13-H3C(O)CH3
  930620.4748  1.5502 -6.0043 3 1374.8214572  595161404714328 4    704427 4      C-13-H3C(O)CH3
  930754.1733  0.0284 -5.0296 3  407.0758316  595161404392613 4    382316 4      C-13-H3C(O)CH3
  930756.6203  0.0088 -4.0565 3  474.7461696  595161404432221 0    422122 0      C-13-H3C(O)CH3
  930773.5236  0.0751 -4.6285 3 1216.0294B12  595161404693138 0    683237 0      C-13-H3C(O)CH3
  930773.5240  0.0751 -4.6285 3 1216.0294B12  595161404693238 0    683137 0      C-13-H3C(O)CH3
  930782.5104  0.0753 -4.6286 3 1216.0465B12  595161404693138 1    683237 1      C-13-H3C(O)CH3
  930782.5110  0.0753 -4.6286 3 1216.0465B12  595161404693238 1    683137 1      C-13-H3C(O)CH3
  930784.4821  0.0778 -4.6286 3 1216.0486B12  595161404693138 2    683237 2      C-13-H3C(O)CH3
  930784.4826  0.0778 -4.6286 3 1216.0486B12  595161404693238 2    683137 2      C-13-H3C(O)CH3
  930793.4885  0.0706 -4.9296 3 1216.0658556  595161404693138 3    683237 3      C-13-H3C(O)CH3
  930793.4891  0.0706 -4.9296 3 1216.0658556  595161404693238 3    683137 3      C-13-H3C(O)CH3
  930793.4959  0.0706 -4.9296 3 1216.0658556  595161404693138 4    683237 4      C-13-H3C(O)CH3
  930793.4966  0.0706 -4.9296 3 1216.0658556  595161404693238 4    683137 4      C-13-H3C(O)CH3
  930808.4267  0.0127 -4.0562 3  474.7201696  595161404432221 2    422122 2      C-13-H3C(O)CH3
  930810.3129  0.0700 -4.6209 3 1194.5684A96  595161404683236 0    673335 0      C-13-H3C(O)CH3
  930810.3379  0.0700 -4.6209 3 1194.5684A96  595161404683336 0    673235 0      C-13-H3C(O)CH3
  930822.5524  0.0700 -4.6210 3 1194.5846A96  595161404683236 1    673335 1      C-13-H3C(O)CH3
  930822.5832  0.0700 -4.6210 3 1194.5846A96  595161404683336 1    673235 1      C-13-H3C(O)CH3
  930824.3383  0.0728 -4.6210 3 1194.5869A96  595161404683236 2    673335 2      C-13-H3C(O)CH3
  930824.3650  0.0728 -4.6210 3 1194.5869A96  595161404683336 2    673235 2      C-13-H3C(O)CH3
  930832.3979  0.0090 -4.0562 3  474.7230696  595161404432221 1    422122 1      C-13-H3C(O)CH3
  930836.6033  0.0671 -4.9220 3 1194.6031548  595161404683236 3    673335 3      C-13-H3C(O)CH3
  930836.6141  0.0671 -4.9220 3 1194.6031548  595161404683236 4    673335 4      C-13-H3C(O)CH3
  930836.6362  0.0671 -4.9220 3 1194.6031548  595161404683336 3    673235 3      C-13-H3C(O)CH3
  930836.6467  0.0671 -4.9220 3 1194.6031548  595161404683336 4    673235 4      C-13-H3C(O)CH3
  930860.8591  0.0303 -5.0757 3 1491.4904756  59516140494 391 4    93 490 4      C-13-H3C(O)CH3
  930860.8591  0.0303 -5.0757 3 1491.4904756  59516140494 491 4    93 390 4      C-13-H3C(O)CH3
  930860.8965  0.0303 -5.0431 3 1491.4904756  59516140494 391 3    93 390 3      C-13-H3C(O)CH3
  930860.8965  0.0303 -5.0431 3 1491.4904756  59516140494 491 3    93 490 3      C-13-H3C(O)CH3
  930877.9617  0.0401 -4.7566 3 1491.5195F12  59516140494 491 1    93 490 1      C-13-H3C(O)CH3
  930877.9617  0.0401 -4.7566 3 1491.5195F12  59516140494 391 1    93 390 1      C-13-H3C(O)CH3
  930877.9757  0.0425 -4.9646 3 1491.5192F12  59516140494 491 2    93 390 2      C-13-H3C(O)CH3
  930877.9757  0.0425 -5.1204 3 1491.5192F12  59516140494 491 2    93 490 2      C-13-H3C(O)CH3
  930877.9757  0.0425 -4.9646 3 1491.5192F12  59516140494 391 2    93 490 2      C-13-H3C(O)CH3
  930877.9757  0.0425 -5.1204 3 1491.5192F12  59516140494 391 2    93 390 2      C-13-H3C(O)CH3
  930878.6181  0.0087 -4.0564 3  474.7460696  595161404432321 0    422022 0      C-13-H3C(O)CH3
  930884.3011  0.0137 -4.3569 3  474.6969348  595161404432221 3    422122 3      C-13-H3C(O)CH3
  930884.5963  0.0138 -4.3569 3  474.6969348  595161404432221 4    422122 4      C-13-H3C(O)CH3
  930895.0476  0.0326 -4.9963 3 1491.5483F12  59516140494 491 0    93 490 0      C-13-H3C(O)CH3
  930895.0476  0.0326 -5.0789 3 1491.5483F12  59516140494 391 0    93 490 0      C-13-H3C(O)CH3
  930895.0476  0.0326 -4.9963 3 1491.5483F12  59516140494 391 0    93 390 0      C-13-H3C(O)CH3
  930895.0476  0.0326 -5.0789 3 1491.5483F12  59516140494 491 0    93 390 0      C-13-H3C(O)CH3
  930927.8653  0.1075 -5.0143 3 1395.8072C88  595161404802061 0    792060 0      C-13-H3C(O)CH3
  930927.8653  0.1075 -5.0605 3 1395.8072C88  595161404801961 0    792060 0      C-13-H3C(O)CH3
  930927.8653  0.1075 -5.0605 3 1395.8072C88  595161404802061 0    791960 0      C-13-H3C(O)CH3
  930927.8653  0.1075 -5.0143 3 1395.8072C88  595161404801961 0    791960 0      C-13-H3C(O)CH3
  930928.1003  0.1093 -4.9409 3  744.6581840  595161404523518 2    513417 2      C-13-H3C(O)CH3
  930936.8820  0.0123 -4.0561 3  474.7199696  595161404432321 2    422022 2      C-13-H3C(O)CH3
  930947.4945  0.1100 -4.7388 3 1395.8256C88  595161404802061 1    791960 1      C-13-H3C(O)CH3
  930947.4945  0.1100 -4.7388 3 1395.8256C88  595161404801961 1    792060 1      C-13-H3C(O)CH3
  930949.9830  0.1121 -4.7556 3 1395.8264C88  595161404802061 2    791960 2      C-13-H3C(O)CH3
  930949.9830  0.1121 -4.7556 3 1395.8264C88  595161404801961 2    792060 2      C-13-H3C(O)CH3
  930957.6577  0.0091 -4.0561 3  474.7228696  595161404432321 1    422022 1      C-13-H3C(O)CH3
  930969.6402  0.0879 -5.7580 3 1395.8448644  595161404802061 3    791960 3      C-13-H3C(O)CH3
  930969.6402  0.0879 -5.1284 3 1395.8448644  595161404801961 3    791960 3      C-13-H3C(O)CH3
  930969.6402  0.0879 -5.7580 3 1395.8448644  595161404801961 3    792060 3      C-13-H3C(O)CH3
  930969.6402  0.0879 -5.1284 3 1395.8448644  595161404802061 3    792060 3      C-13-H3C(O)CH3
  930969.6741  0.0880 -5.9005 3 1395.8449644  595161404801961 4    792060 4      C-13-H3C(O)CH3
  930969.6741  0.0880 -5.1008 3 1395.8449644  595161404801961 4    791960 4      C-13-H3C(O)CH3
  930969.6741  0.0880 -5.9005 3 1395.8449644  595161404802061 4    791960 4      C-13-H3C(O)CH3
  930969.6741  0.0880 -5.1008 3 1395.8449644  595161404802061 4    792060 4      C-13-H3C(O)CH3
  931016.2173  0.0134 -4.3568 3  474.6967348  595161404432321 4    422022 4      C-13-H3C(O)CH3
  931016.2339  0.0133 -4.3568 3  474.6967348  595161404432321 3    422022 3      C-13-H3C(O)CH3
  931026.5790  0.0803 -4.6387 3 1236.8334B28  595161404703040 0    693139 0      C-13-H3C(O)CH3
  931026.5790  0.0803 -4.6387 3 1236.8334B28  595161404703140 0    693039 0      C-13-H3C(O)CH3
  931033.5504  0.0807 -4.6387 3 1236.8512B28  595161404703040 1    693139 1      C-13-H3C(O)CH3
  931033.5504  0.0807 -4.6387 3 1236.8512B28  595161404703140 1    693039 1      C-13-H3C(O)CH3
  931035.7425  0.0829 -4.6389 3 1236.8532B28  595161404703040 2    693139 2      C-13-H3C(O)CH3
  931035.7425  0.0829 -4.6389 3 1236.8532B28  595161404703140 2    693039 2      C-13-H3C(O)CH3
  931042.7308  0.0739 -4.9397 3 1236.8711564  595161404703140 3    693039 3      C-13-H3C(O)CH3
  931042.7308  0.0739 -4.9397 3 1236.8711564  595161404703040 3    693139 3      C-13-H3C(O)CH3
  931042.7373  0.0739 -4.9397 3 1236.8711564  595161404703140 4    693039 4      C-13-H3C(O)CH3
  931042.7373  0.0739 -4.9397 3 1236.8711564  595161404703040 4    693139 4      C-13-H3C(O)CH3
  931184.7640  0.0806 -4.7442 3  744.6456840  595161404523518 1    513417 1      C-13-H3C(O)CH3
  931249.9359  0.6059 -4.9758 3 1144.1437A48  595161404653827 0    643926 0      C-13-H3C(O)CH3
  931266.2908  1.2693 -5.7023 3 1374.7992B44  595161404714328 1    704427 1      C-13-H3C(O)CH3
  931285.9702  0.0649 -4.6171 3 1172.4108A80  595161404673334 0    663433 0      C-13-H3C(O)CH3
  931287.0347  0.0650 -4.6171 3 1172.4108A80  595161404673434 0    663333 0      C-13-H3C(O)CH3
  931303.4086  0.0648 -4.6172 3 1172.4257A80  595161404673334 1    663433 1      C-13-H3C(O)CH3
  931304.6360  0.0648 -4.6172 3 1172.4257A80  595161404673434 1    663333 1      C-13-H3C(O)CH3
  931305.1138  0.0677 -4.6172 3 1172.4281A80  595161404673334 2    663433 2      C-13-H3C(O)CH3
  931306.2456  0.0677 -4.6172 3 1172.4281A80  595161404673434 2    663333 2      C-13-H3C(O)CH3
  931322.5870  0.0635 -4.9183 3 1172.4430540  595161404673334 3    663433 3      C-13-H3C(O)CH3
  931322.6077  0.0635 -4.9183 3 1172.4431540  595161404673334 4    663433 4      C-13-H3C(O)CH3
  931323.8911  0.0634 -4.9183 3 1172.4430540  595161404673434 3    663333 3      C-13-H3C(O)CH3
  931323.9071  0.0634 -4.9183 3 1172.4430540  595161404673434 4    663333 4      C-13-H3C(O)CH3
  931415.6034  0.0187 -4.1096 3  536.7514728  595161404452719 0    442420 0      C-13-H3C(O)CH3
  931480.9570  0.0855 -5.8806 3 1257.0078B44  595161404713042 0    703041 0      C-13-H3C(O)CH3
  931480.9570  0.0855 -5.4085 3 1257.0078B44  595161404712942 0    703041 0      C-13-H3C(O)CH3
  931480.9570  0.0855 -4.7422 3 1257.0078B44  595161404712942 0    702941 0      C-13-H3C(O)CH3
  931480.9570  0.0855 -4.6724 3 1257.0078B44  595161404713042 0    702941 0      C-13-H3C(O)CH3
  931486.7674  0.0862 -5.6036 3 1257.0262B44  595161404712942 1    703041 1      C-13-H3C(O)CH3
  931486.7674  0.0862 -4.6504 3 1257.0262B44  595161404713042 1    702941 1      C-13-H3C(O)CH3
  931486.7674  0.0862 -4.7017 3 1257.0262B44  595161404712942 1    702941 1      C-13-H3C(O)CH3
  931489.1885  0.0880 -4.6656 3 1257.0281B44  595161404713042 2    702941 2      C-13-H3C(O)CH3
  931489.1885  0.0880 -4.6540 3 1257.0281B44  595161404712942 2    703041 2      C-13-H3C(O)CH3
  931495.0148  0.0771 -4.9633 3 1257.0465572  595161404713042 3    702941 3      C-13-H3C(O)CH3
  931495.0148  0.0771 -4.9519 3 1257.0465572  595161404712942 3    703041 3      C-13-H3C(O)CH3
  931495.0215  0.0771 -4.9547 3 1257.0466572  595161404712942 4    703041 4      C-13-H3C(O)CH3
  931495.0215  0.0771 -4.9517 3 1257.0466572  595161404713042 4    702941 4      C-13-H3C(O)CH3
  931557.8423  0.0132 -4.7351 3  403.2313632  595161404392514 0    382217 0      C-13-H3C(O)CH3
  931574.7745  0.0179 -4.1096 3  536.7323728  595161404452719 1    442420 1      C-13-H3C(O)CH3
  931632.7119  0.0154 -4.1101 3  536.7266728  595161404452719 2    442420 2      C-13-H3C(O)CH3
  931638.5447  0.0062 -3.5312 3  713.6626792 -5951614044941 8 0    4840 9 0      C-13-H3C(O)CH3
  931638.5447  0.0062 -3.5312 3  713.6626792 -5951614044941 9 0    4840 8 0      C-13-H3C(O)CH3
  931638.5447  0.0083 -3.5313 3  713.6828792 -5951614044941 8 2    4840 8 2      C-13-H3C(O)CH3
  931669.6764  0.0674 -5.0954 3 1470.4376E16  595161404881078 0    871177 0      C-13-H3C(O)CH3
  931669.6764  0.0674 -5.0954 3 1470.4376E16  595161404881178 0    871077 0      C-13-H3C(O)CH3
  931669.6764  0.0674 -5.0413 3 1470.4376E16  595161404881178 0    871177 0      C-13-H3C(O)CH3
  931669.6764  0.0674 -5.0413 3 1470.4376E16  595161404881078 0    871077 0      C-13-H3C(O)CH3
  931676.4515  0.0342 -5.9712 3  356.4407292  595161404362710 4    352411 4      C-13-H3C(O)CH3
  931684.3502  0.0133 -4.7346 3  403.2092632  595161404392514 1    382217 1      C-13-H3C(O)CH3
  931688.5444  0.0122 -3.8323 3  713.7092396  5951614044941 8 4    4840 8 4      C-13-H3C(O)CH3
  931688.7470  0.0074 -3.5312 3  713.6892792 -5951614044941 8 1    4840 8 1      C-13-H3C(O)CH3
  931702.7754  0.0760 -6.0008 3 1470.4305E16  595161404881078 2    871077 2      C-13-H3C(O)CH3
  931702.7754  0.0760 -4.7925 3 1470.4305E16  595161404881078 2    871177 2      C-13-H3C(O)CH3
  931702.7754  0.0760 -4.7925 3 1470.4305E16  595161404881178 2    871077 2      C-13-H3C(O)CH3
  931702.7754  0.0760 -6.0008 3 1470.4305E16  595161404881178 2    871177 2      C-13-H3C(O)CH3
  931702.9447  0.0812 -4.7900 3 1470.4307E16  595161404881078 1    871077 1      C-13-H3C(O)CH3
  931702.9447  0.0812 -4.7900 3 1470.4307E16  595161404881178 1    871177 1      C-13-H3C(O)CH3
  931724.8676  0.0076 -3.5313 3  713.6720792 -5951614044941 9 2    4840 9 2      C-13-H3C(O)CH3
  931736.0639  0.0686 -5.7717 3 1470.4236708  595161404881178 3    871077 3      C-13-H3C(O)CH3
  931736.0639  0.0686 -5.1630 3 1470.4236708  595161404881078 3    871077 3      C-13-H3C(O)CH3
  931736.0639  0.0686 -5.1630 3 1470.4236708  595161404881178 3    871177 3      C-13-H3C(O)CH3
  931736.0639  0.0686 -5.7717 3 1470.4236708  595161404881078 3    871177 3      C-13-H3C(O)CH3
  931736.1069  0.0686 -5.1023 3 1470.4236708  595161404881178 4    871177 4      C-13-H3C(O)CH3
  931736.1069  0.0686 -5.1023 3 1470.4236708  595161404881078 4    871077 4      C-13-H3C(O)CH3
  931752.0383  0.0119 -3.8445 3  744.6162840 -595161404523518 0    513417 0      C-13-H3C(O)CH3
  931766.0485  0.0214 -5.7013 3  311.7229268  5951614043328 6 4    3225 7 4      C-13-H3C(O)CH3
  931774.7004  0.0110 -3.8323 3  713.6986396  5951614044941 8 3    4840 8 3      C-13-H3C(O)CH3
  931775.2079  0.0114 -3.8323 3  713.6809396  5951614044941 9 3    4840 9 3      C-13-H3C(O)CH3
  931775.3586  0.0071 -3.5312 3  713.6608792 -5951614044941 9 1    4840 9 1      C-13-H3C(O)CH3
  931781.4366  0.0132 -4.7351 3  403.2035632  595161404392514 2    382217 2      C-13-H3C(O)CH3
  931785.6430  0.0123 -4.4112 3  536.7075364  595161404452719 4    442420 4      C-13-H3C(O)CH3
  931800.0057  0.0123 -4.4111 3  536.7074364  595161404452719 3    442420 3      C-13-H3C(O)CH3
  931861.9594  0.0107 -3.8322 3  713.6702396  5951614044941 9 4    4840 9 4      C-13-H3C(O)CH3
  931882.4472  0.0128 -5.0344 3  403.1815316  595161404392514 3    382217 3      C-13-H3C(O)CH3
  931906.7009  0.0186 -5.2484 3  356.4553584  595161404362710 1    352411 1      C-13-H3C(O)CH3
  931906.8499  1.7505 -5.7012 3 1374.7918B44  595161404714328 2    704427 2      C-13-H3C(O)CH3
  931920.2003  0.0198 -5.6982 3  311.7185268  5951614043328 6 3    3225 7 3      C-13-H3C(O)CH3
  931928.6593  0.0133 -5.0367 3  403.1814316  595161404392514 4    382217 4      C-13-H3C(O)CH3
  931947.9909  0.0350 -5.9571 3  356.4408292  595161404362710 3    352411 3      C-13-H3C(O)CH3
  931971.7757  0.0856 -4.3588 3  744.6620420  595161404523518 3    513417 3      C-13-H3C(O)CH3
  931972.4896  0.0300 -5.6766 3  356.4659584  595161404362710 2    352411 2      C-13-H3C(O)CH3
  932001.2091  0.1059 -4.9396 3 1409.7037D04  595161404811863 0    801962 0      C-13-H3C(O)CH3
  932001.2091  0.1059 -5.1898 3 1409.7037D04  595161404811863 0    801862 0      C-13-H3C(O)CH3
  932001.2091  0.1059 -5.1938 3 1409.7037D04  595161404811963 0    801962 0      C-13-H3C(O)CH3
  932001.2091  0.1059 -4.9418 3 1409.7037D04  595161404811963 0    801862 0      C-13-H3C(O)CH3
  932023.2997  0.1077 -4.9576 3 1409.7212D04  595161404811963 1    801962 1      C-13-H3C(O)CH3
  932023.2997  0.1077 -5.1632 3 1409.7212D04  595161404811863 1    801962 1      C-13-H3C(O)CH3
  932023.2997  0.1077 -5.1632 3 1409.7212D04  595161404811963 1    801862 1      C-13-H3C(O)CH3
  932023.2997  0.1077 -4.9576 3 1409.7212D04  595161404811863 1    801862 1      C-13-H3C(O)CH3
  932025.5268  0.1103 -4.8074 3 1409.7219D04  595161404811963 2    801862 2      C-13-H3C(O)CH3
  932025.5268  0.1103 -4.8074 3 1409.7219D04  595161404811863 2    801962 2      C-13-H3C(O)CH3
  932025.5268  0.1103 -5.6361 3 1409.7219D04  595161404811963 2    801962 2      C-13-H3C(O)CH3
  932025.5268  0.1103 -5.6361 3 1409.7219D04  595161404811863 2    801862 2      C-13-H3C(O)CH3
  932047.6468  0.0873 -5.2329 3 1409.7395652  595161404811863 3    801862 3      C-13-H3C(O)CH3
  932047.6468  0.0873 -5.2329 3 1409.7395652  595161404811963 3    801962 3      C-13-H3C(O)CH3
  932047.6468  0.0873 -5.5092 3 1409.7395652  595161404811963 3    801862 3      C-13-H3C(O)CH3
  932047.6468  0.0873 -5.5092 3 1409.7395652  595161404811863 3    801962 3      C-13-H3C(O)CH3
  932047.6835  0.0873 -5.9137 3 1409.7395652  595161404811863 4    801862 4      C-13-H3C(O)CH3
  932047.6835  0.0873 -5.1120 3 1409.7395652  595161404811863 4    801962 4      C-13-H3C(O)CH3
  932047.6835  0.0873 -5.9137 3 1409.7395652  595161404811963 4    801962 4      C-13-H3C(O)CH3
  932047.6835  0.0873 -5.1120 3 1409.7395652  595161404811963 4    801862 4      C-13-H3C(O)CH3
  932080.6381  0.0906 -5.9429 3 1276.5724B60  595161404722944 0    712943 0      C-13-H3C(O)CH3
  932080.6381  0.0906 -5.9429 3 1276.5724B60  595161404722844 0    712843 0      C-13-H3C(O)CH3
  932080.6381  0.0906 -4.6865 3 1276.5724B60  595161404722844 0    712943 0      C-13-H3C(O)CH3
  932080.6381  0.0906 -4.6865 3 1276.5724B60  595161404722944 0    712843 0      C-13-H3C(O)CH3
  932085.9299  0.0916 -4.7943 3 1276.5912B60  595161404722944 1    712843 1      C-13-H3C(O)CH3
  932085.9299  0.0916 -4.7943 3 1276.5912B60  595161404722844 1    712943 1      C-13-H3C(O)CH3
  932085.9299  0.0916 -5.2472 3 1276.5912B60  595161404722944 1    712943 1      C-13-H3C(O)CH3
  932085.9299  0.0916 -5.2472 3 1276.5912B60  595161404722844 1    712843 1      C-13-H3C(O)CH3
  932088.5703  0.0931 -4.9513 3 1276.5931B60  595161404722844 2    712843 2      C-13-H3C(O)CH3
  932088.5703  0.0931 -4.9775 3 1276.5931B60  595161404722944 2    712843 2      C-13-H3C(O)CH3
  932088.5703  0.0931 -4.9775 3 1276.5931B60  595161404722844 2    712943 2      C-13-H3C(O)CH3
  932088.5703  0.0931 -4.9513 3 1276.5931B60  595161404722944 2    712943 2      C-13-H3C(O)CH3
  932093.8779  0.0801 -4.9697 3 1276.6120580  595161404722844 3    712843 3      C-13-H3C(O)CH3
  932093.8779  0.0801 -4.9697 3 1276.6120580  595161404722944 3    712943 3      C-13-H3C(O)CH3
  932093.8857  0.0802 -5.6827 3 1276.6120580  595161404722844 4    712843 4      C-13-H3C(O)CH3
  932093.8857  0.0802 -5.0564 3 1276.6120580  595161404722844 4    712943 4      C-13-H3C(O)CH3
  932093.8857  0.0802 -5.0564 3 1276.6120580  595161404722944 4    712843 4      C-13-H3C(O)CH3
  932093.8857  0.0802 -5.6827 3 1276.6120580  595161404722944 4    712943 4      C-13-H3C(O)CH3
  932103.3217  0.0180 -5.4010 3  311.7469536  5951614043328 6 1    3225 7 1      C-13-H3C(O)CH3
  932103.5493  0.0211 -5.3414 3  356.4408292  5951614043627 9 3    352411 3      C-13-H3C(O)CH3
  932107.5337  0.0217 -4.8916 3  411.4552632  595161404392713 1    382414 1      C-13-H3C(O)CH3
  932144.2913  0.0212 -5.0816 3 1496.8010764  59516140495 393 4    94 292 4      C-13-H3C(O)CH3
  932144.2913  0.0212 -5.0816 3 1496.8010764  59516140495 293 4    94 392 4      C-13-H3C(O)CH3
  932144.3035  0.0212 -5.5255 3 1496.8009764  59516140495 293 3    94 292 3      C-13-H3C(O)CH3
  932144.3035  0.0212 -5.2042 3 1496.8009764  59516140495 293 3    94 392 3      C-13-H3C(O)CH3
  932144.3035  0.0212 -5.5255 3 1496.8009764  59516140495 393 3    94 392 3      C-13-H3C(O)CH3
  932144.3035  0.0212 -5.2042 3 1496.8009764  59516140495 393 3    94 292 3      C-13-H3C(O)CH3
  932166.9271  0.0274 -5.4423 3 1496.8158F28  59516140495 393 2    94 292 2      C-13-H3C(O)CH3
  932166.9271  0.0274 -5.4423 3 1496.8158F28  59516140495 293 2    94 392 2      C-13-H3C(O)CH3
  932166.9271  0.0274 -4.8283 3 1496.8158F28  59516140495 393 2    94 392 2      C-13-H3C(O)CH3
  932166.9271  0.0274 -4.8283 3 1496.8158F28  59516140495 293 2    94 292 2      C-13-H3C(O)CH3
  932167.0892  0.0218 -5.5739 3 1496.8163F28 -59516140495 393 1    94 392 1      C-13-H3C(O)CH3
  932167.0892  0.0218 -4.8015 3 1496.8163F28 -59516140495 293 1    94 392 1      C-13-H3C(O)CH3
  932167.1020  0.0218 -5.5739 3 1496.8163F28  59516140495 293 1    94 292 1      C-13-H3C(O)CH3
  932167.1020  0.0218 -4.8015 3 1496.8163F28  59516140495 393 1    94 292 1      C-13-H3C(O)CH3
  932176.1746  0.0191 -5.2482 3  356.4553584  5951614043627 9 1    352411 1      C-13-H3C(O)CH3
  932189.7107  0.0194 -4.8456 3 1496.8312F28  59516140495 393 0    94 392 0      C-13-H3C(O)CH3
  932189.7107  0.0194 -4.8456 3 1496.8312F28  59516140495 293 0    94 292 0      C-13-H3C(O)CH3
  932189.9488  0.0194 -5.3778 3 1496.8312F28 -59516140495 393 0    94 292 0      C-13-H3C(O)CH3
  932189.9488  0.0194 -5.3778 3 1496.8312F28 -59516140495 293 0    94 392 0      C-13-H3C(O)CH3
  932190.7695  0.0315 -5.3019 3  411.4292316  595161404392713 4    382414 4      C-13-H3C(O)CH3
  932203.0371  0.0158 -4.9494 3  356.4802584  595161404362710 0    352411 0      C-13-H3C(O)CH3
  932212.3646  0.0132 -3.9026 3  744.6456840 -595161404523517 1    513417 1      C-13-H3C(O)CH3
  932217.4797  0.0134 -3.8803 3  744.6581840 -595161404523517 2    513417 2      C-13-H3C(O)CH3
  932244.3169  0.0172 -5.4034 3  311.7610536  5951614043328 6 2    3225 7 2      C-13-H3C(O)CH3
  932271.5363  0.0196 -4.7326 3  411.4736632  595161404392713 0    382414 0      C-13-H3C(O)CH3
  932329.9815  0.0202 -5.7007 3  311.7163268  5951614043328 5 3    3225 8 3      C-13-H3C(O)CH3
  932334.7622  0.0177 -4.1566 3  744.6939420  595161404523517 4    513417 4      C-13-H3C(O)CH3
  932339.6813  0.0239 -4.5543 3  744.6620420  595161404523517 3    513417 3      C-13-H3C(O)CH3
  932375.2313  0.0212 -5.3374 3  356.4407292  5951614043627 9 4    352411 4      C-13-H3C(O)CH3
  932395.6130  0.0180 -5.4002 3  311.7566536  5951614043328 5 2    3225 8 2      C-13-H3C(O)CH3
  932398.1423  0.0186 -5.0379 3  356.4659584  5951614043627 9 2    352411 2      C-13-H3C(O)CH3
  932403.5304  0.0125 -3.9020 3  744.6050840 -595161404523518 1    513418 1      C-13-H3C(O)CH3
  932436.2842  0.0120 -3.8794 3  744.6078840 -595161404523518 2    513418 2      C-13-H3C(O)CH3
  932445.2888  0.0282 -4.9656 3  411.4476632  595161404392713 2    382414 2      C-13-H3C(O)CH3
  932463.3754  0.0600 -4.6196 3 1149.4952A64  595161404663432 0    653531 0      C-13-H3C(O)CH3
  932480.6846  0.0253 -5.9780 3  286.8316504  5951614043129 3 2    3026 4 2      C-13-H3C(O)CH3
  932481.1321  0.0229 -5.6976 3  311.7119268  5951614043328 5 4    3225 8 4      C-13-H3C(O)CH3
  932488.3054  0.0597 -4.6198 3 1149.5083A64  595161404663432 1    653531 1      C-13-H3C(O)CH3
  932490.7369  0.0628 -4.6197 3 1149.5109A64  595161404663432 2    653531 2      C-13-H3C(O)CH3
  932498.6509  0.0602 -4.6196 3 1149.4943A64  595161404663532 0    653431 0      C-13-H3C(O)CH3
  932502.7531  0.0211 -5.3403 3  356.4132292  595161404362710 4    352412 4      C-13-H3C(O)CH3
  932515.6589  0.0598 -4.9209 3 1149.5239532  595161404663432 3    653531 3      C-13-H3C(O)CH3
  932515.7337  0.0598 -4.9209 3 1149.5240532  595161404663432 4    653531 4      C-13-H3C(O)CH3
  932527.1026  0.0596 -4.6197 3 1149.5073A64  595161404663532 1    653431 1      C-13-H3C(O)CH3
  932527.8577  0.0619 -4.6197 3 1149.5099A64  595161404663532 2    653431 2      C-13-H3C(O)CH3
  932556.3201  0.0184 -5.2486 3  356.4337584  595161404362710 1    352412 1      C-13-H3C(O)CH3
  932556.4664  0.0585 -4.9209 3 1149.5229532  595161404663532 4    653431 4      C-13-H3C(O)CH3
  932556.4667  0.0585 -4.9209 3 1149.5229532  595161404663532 3    653431 3      C-13-H3C(O)CH3
  932559.9845  1.3459 -5.7006 3 1374.7696B44  595161404714328 0    704427 0      C-13-H3C(O)CH3
  932575.2790  0.0118 -3.8438 3  744.5974840  595161404523517 0    513418 0      C-13-H3C(O)CH3
  932581.5599  0.0272 -5.9758 3  286.8128504  5951614043129 3 1    3026 4 1      C-13-H3C(O)CH3
  932583.5770  0.0179 -5.4040 3  311.7847536  5951614043328 6 0    3225 7 0      C-13-H3C(O)CH3
  932584.0522  0.0179 -5.4040 3  311.7847536  5951614043328 5 0    3225 8 0      C-13-H3C(O)CH3
  932603.1123  0.0220 -4.5537 3  744.6409420  595161404523518 3    513418 3      C-13-H3C(O)CH3
  932608.2641  0.0150 -4.1553 3  744.6090420  595161404523518 4    513418 4      C-13-H3C(O)CH3
  932660.6720  0.0256 -5.2423 3  411.4552632  595161404392712 1    382414 1      C-13-H3C(O)CH3
  932664.4522  0.0184 -5.4004 3  311.7402536  5951614043328 5 1    3225 8 1      C-13-H3C(O)CH3
  932687.5944  0.0358 -5.1839 3  411.4290316  595161404392713 3    382414 3      C-13-H3C(O)CH3
  932772.4662  0.0201 -5.3427 3  356.4133292  595161404362710 3    352412 3      C-13-H3C(O)CH3
  932788.4431  0.0954 -4.9655 3 1295.5419B76  595161404732746 0    722745 0      C-13-H3C(O)CH3
  932788.4431  0.0954 -4.9901 3 1295.5419B76  595161404732746 0    722845 0      C-13-H3C(O)CH3
  932788.4431  0.0954 -4.9655 3 1295.5419B76  595161404732846 0    722845 0      C-13-H3C(O)CH3
  932788.4431  0.0954 -4.9901 3 1295.5419B76  595161404732846 0    722745 0      C-13-H3C(O)CH3
  932793.7328  0.0969 -5.2480 3 1295.5612B76  595161404732846 1    722745 1      C-13-H3C(O)CH3
  932793.7328  0.0969 -5.2480 3 1295.5612B76  595161404732746 1    722845 1      C-13-H3C(O)CH3
  932793.7328  0.0969 -4.8123 3 1295.5612B76  595161404732846 1    722845 1      C-13-H3C(O)CH3
  932793.7328  0.0969 -4.8123 3 1295.5612B76  595161404732746 1    722745 1      C-13-H3C(O)CH3
  932795.2801  0.0178 -5.0400 3  356.4385584  595161404362710 2    352412 2      C-13-H3C(O)CH3
  932796.5696  0.0981 -5.3021 3 1295.5630B76  595161404732846 2    722745 2      C-13-H3C(O)CH3
  932796.5696  0.0981 -4.7940 3 1295.5630B76  595161404732846 2    722845 2      C-13-H3C(O)CH3
  932796.5696  0.0981 -5.3021 3 1295.5630B76  595161404732746 2    722845 2      C-13-H3C(O)CH3
  932796.5696  0.0981 -4.7940 3 1295.5630B76  595161404732746 2    722745 2      C-13-H3C(O)CH3
  932801.8755  0.0830 -4.9802 3 1295.5822588  595161404732846 3    722745 3      C-13-H3C(O)CH3
  932801.8755  0.0830 -4.9802 3 1295.5822588  595161404732746 3    722845 3      C-13-H3C(O)CH3
  932801.8849  0.0830 -5.5645 3 1295.5823588  595161404732846 4    722745 4      C-13-H3C(O)CH3
  932801.8849  0.0830 -5.1078 3 1295.5823588  595161404732746 4    722745 4      C-13-H3C(O)CH3
  932801.8849  0.0830 -5.5645 3 1295.5823588  595161404732746 4    722845 4      C-13-H3C(O)CH3
  932801.8849  0.0830 -5.1078 3 1295.5823588  595161404732846 4    722845 4      C-13-H3C(O)CH3
  932825.7938  0.0191 -5.2472 3  356.4337584  5951614043627 9 1    352412 1      C-13-H3C(O)CH3
  932848.4188  0.0157 -4.9490 3  356.4587584  5951614043627 9 0    352412 0      C-13-H3C(O)CH3
  932874.3897  0.0684 -5.8302 3 1479.4768E32  595161404891080 0    88 979 0      C-13-H3C(O)CH3
  932874.3897  0.0684 -5.8302 3 1479.4768E32  59516140489 980 0    881079 0      C-13-H3C(O)CH3
  932874.3897  0.0684 -4.8114 3 1479.4768E32  595161404891080 0    881079 0      C-13-H3C(O)CH3
  932874.3897  0.0684 -4.8114 3 1479.4768E32  59516140489 980 0    88 979 0      C-13-H3C(O)CH3
  932904.7877  0.0833 -5.7920 3 1479.4641E32  595161404891080 2    881079 2      C-13-H3C(O)CH3
  932904.7877  0.0833 -4.8152 3 1479.4641E32  59516140489 980 2    881079 2      C-13-H3C(O)CH3
  932904.7877  0.0833 -4.8152 3 1479.4641E32  595161404891080 2    88 979 2      C-13-H3C(O)CH3
  932904.7877  0.0833 -5.7920 3 1479.4641E32  59516140489 980 2    88 979 2      C-13-H3C(O)CH3
  932905.0094  0.0894 -4.7839 3 1479.4644E32  595161404891080 1    881079 1      C-13-H3C(O)CH3
  932905.0094  0.0894 -4.7839 3 1479.4644E32  59516140489 980 1    88 979 1      C-13-H3C(O)CH3
  932905.3901  0.0080 -3.6077 3  721.8883808 -595161404503911 2    493811 2      C-13-H3C(O)CH3
  932922.5696  0.0059 -3.6074 3  721.8548808 -595161404503912 0    493811 0      C-13-H3C(O)CH3
  932922.5696  0.0059 -3.6074 3  721.8548808 -595161404503911 0    493812 0      C-13-H3C(O)CH3
  932928.0247  0.0373 -5.9550 3  356.4133292  5951614043627 9 3    352412 3      C-13-H3C(O)CH3
  932935.4225  0.0671 -5.2309 3 1479.4517716  59516140489 980 3    881079 3      C-13-H3C(O)CH3
  932935.4225  0.0671 -5.5393 3 1479.4517716  595161404891080 3    88 979 3      C-13-H3C(O)CH3
  932935.4225  0.0671 -5.2541 3 1479.4517716  595161404891080 3    881079 3      C-13-H3C(O)CH3
  932935.4225  0.0671 -5.5878 3 1479.4517716  59516140489 980 3    88 979 3      C-13-H3C(O)CH3
  932935.4593  0.0671 -5.1133 3 1479.4517716  59516140489 980 4    88 979 4      C-13-H3C(O)CH3
  932935.4593  0.0671 -5.1133 3 1479.4517716  595161404891080 4    881079 4      C-13-H3C(O)CH3
  932940.7020  0.0112 -3.9088 3  721.9149404  595161404503911 4    493811 4      C-13-H3C(O)CH3
  932946.5162  0.0258 -5.9748 3  286.8181504  5951614043129 2 2    3026 5 2      C-13-H3C(O)CH3
  932958.0474  0.0071 -3.6075 3  721.8815808 -595161404503911 1    493811 1      C-13-H3C(O)CH3
  932971.0179  0.0882 -4.3581 3  744.6409420  595161404523517 3    513418 3      C-13-H3C(O)CH3
  933033.7721  0.0073 -3.6075 3  721.8765808 -595161404503912 2    493812 2      C-13-H3C(O)CH3
  933034.3872  0.0107 -3.9087 3  721.8935404  595161404503912 3    493812 3      C-13-H3C(O)CH3
  933051.4965  0.0072 -3.6074 3  721.8600808 -595161404503912 1    493812 1      C-13-H3C(O)CH3
  933068.9443  0.0099 -3.9086 3  721.9031404  595161404503911 3    493811 3      C-13-H3C(O)CH3
  933092.4531  0.1032 -5.7148 3 1423.0581D20  595161404821765 0    811864 0      C-13-H3C(O)CH3
  933092.4531  0.1032 -4.8092 3 1423.0581D20  595161404821765 0    811764 0      C-13-H3C(O)CH3
  933092.4531  0.1032 -5.7148 3 1423.0581D20  595161404821865 0    811764 0      C-13-H3C(O)CH3
  933092.4531  0.1032 -4.8092 3 1423.0581D20  595161404821865 0    811864 0      C-13-H3C(O)CH3
  933095.1786  0.0263 -5.9800 3  286.8665504  5951614043129 3 0    3026 4 0      C-13-H3C(O)CH3
  933095.1789  0.0263 -5.9800 3  286.8665504  5951614043129 2 0    3026 5 0      C-13-H3C(O)CH3
  933117.0747  0.1040 -4.7886 3 1423.0745D20  595161404821765 1    811864 1      C-13-H3C(O)CH3
  933117.0747  0.1040 -5.9298 3 1423.0745D20  595161404821765 1    811764 1      C-13-H3C(O)CH3
  933117.0747  0.1040 -5.9298 3 1423.0745D20  595161404821865 1    811864 1      C-13-H3C(O)CH3
  933117.0747  0.1040 -4.7886 3 1423.0745D20  595161404821865 1    811764 1      C-13-H3C(O)CH3
  933118.9966  0.1069 -4.7833 3 1423.0750D20  595161404821765 2    811864 2      C-13-H3C(O)CH3
  933118.9966  0.1069 -6.0115 3 1423.0750D20  595161404821865 2    811864 2      C-13-H3C(O)CH3
  933118.9966  0.1069 -6.0115 3 1423.0750D20  595161404821765 2    811764 2      C-13-H3C(O)CH3
  933118.9966  0.1069 -4.7833 3 1423.0750D20  595161404821865 2    811764 2      C-13-H3C(O)CH3
  933143.6489  0.0862 -5.3223 3 1423.0914660  595161404821765 3    811864 3      C-13-H3C(O)CH3
  933143.6489  0.0862 -5.4021 3 1423.0914660  595161404821865 3    811864 3      C-13-H3C(O)CH3
  933143.6489  0.0862 -5.4021 3 1423.0914660  595161404821765 3    811764 3      C-13-H3C(O)CH3
  933143.6489  0.0862 -5.3223 3 1423.0914660  595161404821865 3    811764 3      C-13-H3C(O)CH3
  933143.6881  0.0863 -5.0769 3 1423.0914660  595161404821765 4    811764 4      C-13-H3C(O)CH3
  933143.6881  0.0863 -5.0769 3 1423.0914660  595161404821865 4    811864 4      C-13-H3C(O)CH3
  933162.8168  0.0102 -3.9085 3  721.8816404  595161404503912 4    493812 4      C-13-H3C(O)CH3
  933182.6538  0.0392 -5.5649 3  411.4290316  595161404392712 3    382414 3      C-13-H3C(O)CH3
  933201.5329  0.0400 -5.9673 3  356.4132292  5951614043627 9 4    352412 4      C-13-H3C(O)CH3
  933220.9328  0.0339 -5.6736 3  356.4385584  5951614043627 9 2    352412 2      C-13-H3C(O)CH3
  933250.3503  0.0250 -5.5027 3  765.1693856  595161404533419 1    523319 1      C-13-H3C(O)CH3
  933252.8162  0.0324 -4.2062 3  540.9990728  595161404452818 0    442519 0      C-13-H3C(O)CH3
  933321.0164  0.0329 -5.3091 3  765.1705856  595161404533419 2    523319 2      C-13-H3C(O)CH3
  933373.0765  0.0260 -5.9758 3  286.8101504  5951614043129 2 1    3026 5 1      C-13-H3C(O)CH3
  933421.3040  0.0365 -5.1154 3  411.4476632  595161404392712 2    382414 2      C-13-H3C(O)CH3
  933424.9970  0.1732 -4.9899 3 1101.0245516  595161404643628 3    633727 3      C-13-H3C(O)CH3
  933429.3677  0.1677 -4.9899 3 1101.0245516  595161404643628 4    633727 4      C-13-H3C(O)CH3
  933431.2453  0.0845 -4.7425 3  744.6050840  595161404523517 1    513418 1      C-13-H3C(O)CH3
  933439.2061  0.0078 -3.7048 3  732.0403824 -595161404513715 0    503614 0      C-13-H3C(O)CH3
  933441.7274  0.0078 -3.7048 3  732.0402824 -595161404513714 0    503615 0      C-13-H3C(O)CH3
  933447.2473  0.0199 -5.0591 3 1501.5974772  59516140496 295 3    95 194 3      C-13-H3C(O)CH3
  933447.2473  0.0199 -5.0591 3 1501.5974772  59516140496 195 3    95 294 3      C-13-H3C(O)CH3
  933447.2719  0.0199 -5.0457 3 1501.5975772  59516140496 295 4    95 294 4      C-13-H3C(O)CH3
  933447.2719  0.0199 -5.0457 3 1501.5975772  59516140496 195 4    95 194 4      C-13-H3C(O)CH3
  933448.8805  0.0084 -3.7051 3  732.0877824 -595161404513714 2    503614 2      C-13-H3C(O)CH3
  933467.3092  0.0294 -5.2326 3 1501.5846F44  59516140496 195 2    95 294 2      C-13-H3C(O)CH3
  933467.3092  0.0294 -4.8970 3 1501.5846F44  59516140496 195 2    95 194 2      C-13-H3C(O)CH3
  933467.3092  0.0294 -4.8970 3 1501.5846F44  59516140496 295 2    95 294 2      C-13-H3C(O)CH3
  933467.3092  0.0294 -5.2326 3 1501.5846F44  59516140496 295 2    95 194 2      C-13-H3C(O)CH3
  933467.5768  0.0224 -4.7356 3 1501.5852F44  59516140496 195 1    95 194 1      C-13-H3C(O)CH3
  933467.5768  0.0224 -4.7356 3 1501.5852F44  59516140496 295 1    95 294 1      C-13-H3C(O)CH3
  933485.0399  0.0086 -3.7050 3  732.0734824 -595161404513714 1    503614 1      C-13-H3C(O)CH3
  933487.5897  0.0186 -4.7476 3 1501.5724F44  59516140496 195 0    95 294 0      C-13-H3C(O)CH3
  933487.5897  0.0186 -4.7476 3 1501.5724F44  59516140496 295 0    95 194 0      C-13-H3C(O)CH3
  933493.8522  0.0113 -4.0063 3  732.1208412  595161404513714 4    503614 4      C-13-H3C(O)CH3
  933537.3707  0.1501 -4.6880 3 1101.0129A32  595161404643628 1    633727 1      C-13-H3C(O)CH3
  933577.0729  0.0279 -4.2071 3  540.9779728  595161404452818 1    442519 1      C-13-H3C(O)CH3
  933578.7933  0.1000 -4.6905 3 1313.9278B92  595161404742648 0    732647 0      C-13-H3C(O)CH3
  933578.7933  0.1000 -4.6904 3 1313.9278B92  595161404742748 0    732747 0      C-13-H3C(O)CH3
  933584.5178  0.1020 -4.7016 3 1313.9474B92  595161404742648 1    732747 1      C-13-H3C(O)CH3
  933584.5178  0.1020 -4.7016 3 1313.9474B92  595161404742748 1    732647 1      C-13-H3C(O)CH3
  933587.5178  0.1030 -4.8032 3 1313.9491B92  595161404742648 2    732747 2      C-13-H3C(O)CH3
  933587.5178  0.1030 -5.3311 3 1313.9491B92  595161404742648 2    732647 2      C-13-H3C(O)CH3
  933587.5178  0.1030 -4.8032 3 1313.9491B92  595161404742748 2    732647 2      C-13-H3C(O)CH3
  933587.5178  0.1030 -5.3311 3 1313.9491B92  595161404742748 2    732747 2      C-13-H3C(O)CH3
  933589.7331  0.0086 -3.7047 3  732.0491824 -595161404513715 1    503615 1      C-13-H3C(O)CH3
  933593.2593  0.0856 -5.3563 3 1313.9687596  595161404742648 3    732747 3      C-13-H3C(O)CH3
  933593.2593  0.0856 -5.3563 3 1313.9687596  595161404742748 3    732647 3      C-13-H3C(O)CH3
  933593.2593  0.0856 -5.2369 3 1313.9687596  595161404742648 3    732647 3      C-13-H3C(O)CH3
  933593.2593  0.0856 -5.2369 3 1313.9687596  595161404742748 3    732747 3      C-13-H3C(O)CH3
  933593.2707  0.0856 -5.4290 3 1313.9687596  595161404742648 4    732647 4      C-13-H3C(O)CH3
  933593.2707  0.0856 -4.9915 3 1313.9687596  595161404742648 4    732747 4      C-13-H3C(O)CH3
  933593.2707  0.0856 -5.1888 3 1313.9687596  595161404742748 4    732647 4      C-13-H3C(O)CH3
  933598.7393  0.0117 -4.0082 3  732.0964412  595161404513714 3    503614 3      C-13-H3C(O)CH3
  933604.8782  0.0085 -3.7046 3  732.0614824 -595161404513715 2    503615 2      C-13-H3C(O)CH3
  933612.5849  0.1951 -4.6877 3 1101.0148A32  595161404643628 2    633727 2      C-13-H3C(O)CH3
  933648.5082  0.0439 -5.1403 3  765.1811428  595161404533419 4    523319 4      C-13-H3C(O)CH3
  933649.8409  0.0114 -4.0080 3  732.0945412  595161404513715 3    503615 3      C-13-H3C(O)CH3
  933662.6657  0.0429 -5.3682 3  411.4292316  595161404392712 4    382414 4      C-13-H3C(O)CH3
  933718.1922  0.1566 -4.6869 3 1101.0033A32  595161404643628 0    633727 0      C-13-H3C(O)CH3
  933725.7348  0.1152 -4.9389 3  744.6078840  595161404523517 2    513418 2      C-13-H3C(O)CH3
  933754.6206  0.0127 -4.0055 3  732.0702412  595161404513715 4    503615 4      C-13-H3C(O)CH3
  933828.8724  0.0347 -4.2088 3  540.9681728  595161404452818 2    442519 2      C-13-H3C(O)CH3
  933834.6584  0.0090 -4.5631 3  336.5842316  595161404391227 4    381028 4      C-13-H3C(O)CH3
  933834.6584  0.0090 -4.5617 3  336.5842316  595161404391327 4    381128 4      C-13-H3C(O)CH3
  933835.1427  0.0086 -4.5546 3  336.5842316  595161404391327 3    381128 3      C-13-H3C(O)CH3
  933835.1427  0.0086 -4.5546 3  336.5842316  595161404391227 3    381028 3      C-13-H3C(O)CH3
  933952.9155  0.0085 -4.3052 3  336.6066632  595161404391327 2    381128 2      C-13-H3C(O)CH3
  933952.9155  0.0085 -5.1903 3  336.6066632  595161404391227 2    381128 2      C-13-H3C(O)CH3
  933952.9155  0.0085 -4.3067 3  336.6066632  595161404391227 2    381028 2      C-13-H3C(O)CH3
  933952.9155  0.0085 -5.2017 3  336.6066632  595161404391327 2    381028 2      C-13-H3C(O)CH3
  933959.8165  0.0086 -5.8841 3  336.6077632  595161404391327 1    381028 1      C-13-H3C(O)CH3
  933959.8165  0.0086 -4.2635 3  336.6077632  595161404391227 1    381028 1      C-13-H3C(O)CH3
  933959.8165  0.0086 -5.8869 3  336.6077632  595161404391227 1    381128 1      C-13-H3C(O)CH3
  933959.8165  0.0086 -4.2636 3  336.6077632  595161404391327 1    381128 1      C-13-H3C(O)CH3
  934023.9493  0.0169 -3.4121 3  711.4698760  5951614044746 1 0    4645 2 0      C-13-H3C(O)CH3
  934023.9493  0.0169 -3.4121 3  711.4698760  5951614044746 2 0    4645 1 0      C-13-H3C(O)CH3
  934077.0562  0.0181 -3.4122 3  711.5346760  5951614044746 1 1    4645 1 1      C-13-H3C(O)CH3
  934077.4135  0.0075 -4.2533 3  336.6300632  595161404391327 0    381028 0      C-13-H3C(O)CH3
  934077.4135  0.0075 -4.2533 3  336.6300632  595161404391227 0    381128 0      C-13-H3C(O)CH3
  934093.6904  0.0705 -5.3407 3 1487.9866E48  59516140490 982 0    89 981 0      C-13-H3C(O)CH3
  934093.6904  0.0705 -5.3407 3 1487.9866E48  59516140490 882 0    89 881 0      C-13-H3C(O)CH3
  934093.6904  0.0705 -4.9143 3 1487.9866E48  59516140490 882 0    89 981 0      C-13-H3C(O)CH3
  934093.6904  0.0705 -4.9143 3 1487.9866E48  59516140490 982 0    89 881 0      C-13-H3C(O)CH3
  934119.8256  0.0910 -4.7840 3 1487.9681E48  59516140490 882 2    89 981 2      C-13-H3C(O)CH3
  934119.8256  0.0910 -4.7840 3 1487.9681E48  59516140490 982 2    89 881 2      C-13-H3C(O)CH3
  934120.0193  0.0971 -5.8860 3 1487.9683E48  59516140490 882 1    89 981 1      C-13-H3C(O)CH3
  934120.0193  0.0971 -4.8112 3 1487.9683E48  59516140490 882 1    89 881 1      C-13-H3C(O)CH3
  934120.0193  0.0971 -4.8112 3 1487.9683E48  59516140490 982 1    89 981 1      C-13-H3C(O)CH3
  934120.0193  0.0971 -5.8860 3 1487.9683E48  59516140490 982 1    89 881 1      C-13-H3C(O)CH3
  934122.7357  0.0272 -4.5111 3  540.9470364  595161404452818 4    442519 4      C-13-H3C(O)CH3
  934145.5035  0.0191 -3.4120 3  711.5101760  5951614044746 1 2    4645 1 2      C-13-H3C(O)CH3
  934146.1649  0.0654 -5.0803 3 1487.9497724  59516140490 882 3    89 981 3      C-13-H3C(O)CH3
  934146.1649  0.0654 -5.0803 3 1487.9497724  59516140490 982 3    89 881 3      C-13-H3C(O)CH3
  934146.1918  0.0654 -5.1500 3 1487.9497724  59516140490 882 4    89 881 4      C-13-H3C(O)CH3
  934146.1918  0.0654 -5.8880 3 1487.9497724  59516140490 882 4    89 981 4      C-13-H3C(O)CH3
  934146.1918  0.0654 -5.8880 3 1487.9497724  59516140490 982 4    89 881 4      C-13-H3C(O)CH3
  934146.1918  0.0654 -5.1500 3 1487.9497724  59516140490 982 4    89 981 4      C-13-H3C(O)CH3
  934182.9917  0.0294 -4.5104 3  540.9468364  595161404452818 3    442519 3      C-13-H3C(O)CH3
  934199.2393  0.0242 -3.7131 3  711.5750380  5951614044746 1 4    4645 1 4      C-13-H3C(O)CH3
  934200.1323  0.0993 -4.7688 3 1435.8725D36  595161404831667 0    821666 0      C-13-H3C(O)CH3
  934200.1323  0.0993 -4.7688 3 1435.8725D36  595161404831767 0    821766 0      C-13-H3C(O)CH3
  934217.3170  0.0207 -3.4119 3  711.4513760  5951614044746 2 2    4645 2 2      C-13-H3C(O)CH3
  934227.2685  0.0989 -4.8092 3 1435.8873D36  595161404831667 1    821766 1      C-13-H3C(O)CH3
  934227.2685  0.0989 -4.8092 3 1435.8873D36  595161404831767 1    821666 1      C-13-H3C(O)CH3
  934227.2685  0.0989 -5.8196 3 1435.8873D36  595161404831767 1    821766 1      C-13-H3C(O)CH3
  934227.2685  0.0989 -5.8196 3 1435.8873D36  595161404831667 1    821666 1      C-13-H3C(O)CH3
  934228.8523  0.1020 -5.1463 3 1435.8877D36  595161404831667 2    821666 2      C-13-H3C(O)CH3
  934228.8523  0.1020 -5.0047 3 1435.8877D36  595161404831767 2    821666 2      C-13-H3C(O)CH3
  934228.8523  0.1020 -5.0047 3 1435.8877D36  595161404831667 2    821766 2      C-13-H3C(O)CH3
  934228.8523  0.1020 -5.1463 3 1435.8877D36  595161404831767 2    821766 2      C-13-H3C(O)CH3
  934256.0200  0.0848 -5.0714 3 1435.9025668  595161404831667 3    821666 3      C-13-H3C(O)CH3
  934256.0200  0.0848 -5.0714 3 1435.9025668  595161404831767 3    821766 3      C-13-H3C(O)CH3
  934256.0616  0.0848 -5.5807 3 1435.9025668  595161404831767 4    821766 4      C-13-H3C(O)CH3
  934256.0616  0.0848 -5.2299 3 1435.9025668  595161404831767 4    821666 4      C-13-H3C(O)CH3
  934256.0616  0.0848 -5.2299 3 1435.9025668  595161404831667 4    821766 4      C-13-H3C(O)CH3
  934256.0616  0.0848 -5.5807 3 1435.9025668  595161404831667 4    821666 4      C-13-H3C(O)CH3
  934259.6967  0.0192 -3.4119 3  711.4819760  5951614044746 2 1    4645 2 1      C-13-H3C(O)CH3
  934270.7412  0.0268 -3.7130 3  711.5161380  5951614044746 2 3    4645 2 3      C-13-H3C(O)CH3
  934381.5426  0.0271 -3.7129 3  711.5222380  5951614044746 1 3    4645 1 3      C-13-H3C(O)CH3
  934433.5901  0.1043 -5.1975 3 1331.7389C08  595161404752650 0    742649 0      C-13-H3C(O)CH3
  934433.5901  0.1043 -4.8727 3 1331.7389C08  595161404752550 0    742649 0      C-13-H3C(O)CH3
  934433.5901  0.1043 -5.1975 3 1331.7389C08  595161404752550 0    742549 0      C-13-H3C(O)CH3
  934433.5901  0.1043 -4.8727 3 1331.7389C08  595161404752650 0    742549 0      C-13-H3C(O)CH3
  934440.1333  0.1067 -4.7045 3 1331.7587C08  595161404752550 1    742549 1      C-13-H3C(O)CH3
  934440.1333  0.1067 -4.7045 3 1331.7587C08  595161404752650 1    742649 1      C-13-H3C(O)CH3
  934443.2551  0.1076 -4.7132 3 1331.7604C08  595161404752550 2    742549 2      C-13-H3C(O)CH3
  934443.2551  0.1076 -4.7132 3 1331.7604C08  595161404752650 2    742649 2      C-13-H3C(O)CH3
  934449.8165  0.0879 -5.0160 3 1331.7802604  595161404752550 3    742549 3      C-13-H3C(O)CH3
  934449.8165  0.0879 -5.0160 3 1331.7802604  595161404752650 3    742649 3      C-13-H3C(O)CH3
  934449.8302  0.0879 -5.0072 3 1331.7802604  595161404752550 4    742649 4      C-13-H3C(O)CH3
  934449.8302  0.0879 -5.0072 3 1331.7802604  595161404752650 4    742549 4      C-13-H3C(O)CH3
  934452.6726  0.0313 -3.7127 3  711.4634380  5951614044746 2 4    4645 2 4      C-13-H3C(O)CH3
  934568.1096  0.0115 -5.5757 3  276.9424536  595161404332014 2    321517 2      C-13-H3C(O)CH3
  934579.9538  0.0122 -5.8755 3  276.9226268  595161404332014 4    321517 4      C-13-H3C(O)CH3
  934580.0496  0.0571 -4.6345 3 1125.7241A48  595161404653530 0    643629 0      C-13-H3C(O)CH3
  934582.1454  0.0115 -5.8755 3  276.9226268  595161404332014 3    321517 3      C-13-H3C(O)CH3
  934591.3579  0.0112 -5.5757 3  276.9660536  595161404332014 0    321517 0      C-13-H3C(O)CH3
  934597.9936  0.0580 -4.6348 3 1125.7346A48  595161404653530 1    643629 1      C-13-H3C(O)CH3
  934605.7246  0.0113 -5.5748 3  276.9463536  595161404332014 1    321517 1      C-13-H3C(O)CH3
  934609.5721  0.0648 -4.6347 3 1125.7373A48  595161404653530 2    643629 2      C-13-H3C(O)CH3
  934626.7007  0.0636 -4.9360 3 1125.7478524  595161404653530 3    643629 3      C-13-H3C(O)CH3
  934627.2462  0.0631 -4.9360 3 1125.7479524  595161404653530 4    643629 4      C-13-H3C(O)CH3
  934775.0643  0.0335 -5.3924 3 1505.8856780  59516140497 097 4    96 096 4      C-13-H3C(O)CH3
  934775.0643  0.0335 -5.3924 3 1505.8856780  59516140497 197 4    96 196 4      C-13-H3C(O)CH3
  934775.0643  0.0335 -5.2785 3 1505.8856780  59516140497 197 4    96 096 4      C-13-H3C(O)CH3
  934775.0643  0.0335 -5.2785 3 1505.8856780  59516140497 097 4    96 196 4      C-13-H3C(O)CH3
  934775.0882  0.0335 -5.2729 3 1505.8856780  59516140497 097 3    96 096 3      C-13-H3C(O)CH3
  934775.0882  0.0335 -5.3997 3 1505.8856780  59516140497 097 3    96 196 3      C-13-H3C(O)CH3
  934775.0882  0.0335 -5.3997 3 1505.8856780  59516140497 197 3    96 096 3      C-13-H3C(O)CH3
  934775.0882  0.0335 -5.2729 3 1505.8856780  59516140497 197 3    96 196 3      C-13-H3C(O)CH3
  934777.2400  0.0342 -4.7659 3 1505.8244F60 -59516140497 197 1    96 096 1      C-13-H3C(O)CH3
  934777.2400  0.0342 -5.8242 3 1505.8244F60 -59516140497 197 1    96 196 1      C-13-H3C(O)CH3
  934777.2400  0.0342 -4.7659 3 1505.8244F60 -59516140497 097 1    96 196 1      C-13-H3C(O)CH3
  934777.2400  0.0342 -5.8242 3 1505.8244F60 -59516140497 097 1    96 096 1      C-13-H3C(O)CH3
  934777.3450  0.0499 -4.7364 3 1505.8244F60  59516140497 097 2    96 196 2      C-13-H3C(O)CH3
  934777.3450  0.0499 -4.7364 3 1505.8244F60  59516140497 197 2    96 096 2      C-13-H3C(O)CH3
  934779.3760  0.0337 -4.7841 3 1505.7633F60  59516140497 097 0    96 096 0      C-13-H3C(O)CH3
  934779.3760  0.0337 -5.6565 3 1505.7633F60  59516140497 097 0    96 196 0      C-13-H3C(O)CH3
  934779.3760  0.0337 -4.7841 3 1505.7633F60  59516140497 197 0    96 196 0      C-13-H3C(O)CH3
  934779.3760  0.0337 -5.6565 3 1505.7633F60  59516140497 197 0    96 096 0      C-13-H3C(O)CH3
  934880.3428  0.1580 -5.7202 3  744.6090420  595161404523517 4    513418 4      C-13-H3C(O)CH3
  935323.1844  0.0945 -5.9760 3 1448.1488D52  595161404841669 0    831568 0      C-13-H3C(O)CH3
  935323.1844  0.0945 -4.8070 3 1448.1488D52  595161404841569 0    831568 0      C-13-H3C(O)CH3
  935323.1844  0.0945 -5.9760 3 1448.1488D52  595161404841569 0    831668 0      C-13-H3C(O)CH3
  935323.1844  0.0945 -4.8070 3 1448.1488D52  595161404841669 0    831668 0      C-13-H3C(O)CH3
  935327.8960  0.0717 -4.9219 3 1495.9677E64  59516140491 784 0    90 783 0      C-13-H3C(O)CH3
  935327.8960  0.0717 -5.3340 3 1495.9677E64  59516140491 884 0    90 783 0      C-13-H3C(O)CH3
  935327.8960  0.0717 -5.3340 3 1495.9677E64  59516140491 784 0    90 883 0      C-13-H3C(O)CH3
  935327.8960  0.0717 -4.9219 3 1495.9677E64  59516140491 884 0    90 883 0      C-13-H3C(O)CH3
  935339.7396  0.1080 -4.8099 3 1348.9825C24  595161404762552 0    752451 0      C-13-H3C(O)CH3
  935339.7396  0.1080 -5.4394 3 1348.9825C24  595161404762552 0    752551 0      C-13-H3C(O)CH3
  935339.7396  0.1080 -4.8099 3 1348.9825C24  595161404762452 0    752551 0      C-13-H3C(O)CH3
  935339.7396  0.1080 -5.4394 3 1348.9825C24  595161404762452 0    752451 0      C-13-H3C(O)CH3
  935347.4482  0.1109 -4.9601 3 1349.0024C24  595161404762552 1    752451 1      C-13-H3C(O)CH3
  935347.4482  0.1109 -5.0881 3 1349.0024C24  595161404762452 1    752451 1      C-13-H3C(O)CH3
  935347.4482  0.1109 -4.9601 3 1349.0024C24  595161404762452 1    752551 1      C-13-H3C(O)CH3
  935347.4482  0.1109 -5.0881 3 1349.0024C24  595161404762552 1    752551 1      C-13-H3C(O)CH3
  935348.0224  0.0961 -4.7859 3 1495.9433E64  59516140491 884 2    90 883 2      C-13-H3C(O)CH3
  935348.0224  0.0961 -4.7859 3 1495.9433E64  59516140491 784 2    90 783 2      C-13-H3C(O)CH3
  935348.1264  0.1014 -4.7954 3 1495.9434E64  59516140491 884 1    90 883 1      C-13-H3C(O)CH3
  935348.1264  0.1014 -4.7954 3 1495.9434E64  59516140491 784 1    90 783 1      C-13-H3C(O)CH3
  935350.6438  0.1117 -4.7307 3 1349.0040C24  595161404762552 2    752451 2      C-13-H3C(O)CH3
  935350.6438  0.1117 -4.7307 3 1349.0040C24  595161404762452 2    752551 2      C-13-H3C(O)CH3
  935352.7079  0.0929 -5.0071 3 1448.1617D52  595161404841669 1    831568 1      C-13-H3C(O)CH3
  935352.7079  0.0929 -5.1665 3 1448.1617D52  595161404841669 1    831668 1      C-13-H3C(O)CH3
  935352.7079  0.0929 -5.0071 3 1448.1617D52  595161404841569 1    831668 1      C-13-H3C(O)CH3
  935352.7079  0.0929 -5.1665 3 1448.1617D52  595161404841569 1    831568 1      C-13-H3C(O)CH3
  935353.9355  0.0958 -4.9195 3 1448.1619D52  595161404841669 2    831668 2      C-13-H3C(O)CH3
  935353.9355  0.0958 -4.9195 3 1448.1619D52  595161404841569 2    831568 2      C-13-H3C(O)CH3
  935353.9355  0.0958 -5.3357 3 1448.1619D52  595161404841669 2    831568 2      C-13-H3C(O)CH3
  935353.9355  0.0958 -5.3357 3 1448.1619D52  595161404841569 2    831668 2      C-13-H3C(O)CH3
  935358.3717  0.0899 -5.0503 3 1349.0240612  595161404762452 3    752451 3      C-13-H3C(O)CH3
  935358.3717  0.0899 -5.0503 3 1349.0240612  595161404762552 3    752551 3      C-13-H3C(O)CH3
  935358.3881  0.0899 -5.0661 3 1349.0240612  595161404762452 4    752451 4      C-13-H3C(O)CH3
  935358.3881  0.0899 -5.0661 3 1349.0240612  595161404762552 4    752551 4      C-13-H3C(O)CH3
  935358.3881  0.0899 -6.0116 3 1349.0240612  595161404762452 4    752551 4      C-13-H3C(O)CH3
  935358.3881  0.0899 -6.0116 3 1349.0240612  595161404762552 4    752451 4      C-13-H3C(O)CH3
  935368.2600  0.0628 -5.1079 3 1495.9189732  59516140491 884 3    90 783 3      C-13-H3C(O)CH3
  935368.2600  0.0628 -5.1079 3 1495.9189732  59516140491 784 3    90 883 3      C-13-H3C(O)CH3
  935368.2730  0.0628 -5.1081 3 1495.9189732  59516140491 884 4    90 883 4      C-13-H3C(O)CH3
  935368.2730  0.0628 -5.1081 3 1495.9189732  59516140491 784 4    90 783 4      C-13-H3C(O)CH3
  935383.4910  0.0830 -5.3370 3 1448.1747676  595161404841669 3    831568 3      C-13-H3C(O)CH3
  935383.4910  0.0830 -5.3370 3 1448.1747676  595161404841569 3    831668 3      C-13-H3C(O)CH3
  935383.4910  0.0830 -5.4290 3 1448.1747676  595161404841569 3    831568 3      C-13-H3C(O)CH3
  935383.4910  0.0830 -5.4290 3 1448.1747676  595161404841669 3    831668 3      C-13-H3C(O)CH3
  935383.5348  0.0831 -5.4818 3 1448.1747676  595161404841569 4    831568 4      C-13-H3C(O)CH3
  935383.5348  0.0831 -5.2985 3 1448.1747676  595161404841569 4    831668 4      C-13-H3C(O)CH3
  935383.5348  0.0831 -5.2985 3 1448.1747676  595161404841669 4    831568 4      C-13-H3C(O)CH3
  935383.5348  0.0831 -5.4818 3 1448.1747676  595161404841669 4    831668 4      C-13-H3C(O)CH3
  935444.1835  0.0620 -4.6335 3 1125.7024A48  595161404653630 0    643529 0      C-13-H3C(O)CH3
  935508.7625  0.0557 -4.6337 3 1125.7147A48  595161404653630 2    643529 2      C-13-H3C(O)CH3
  935517.7661  0.0573 -4.6337 3 1125.7115A48  595161404653630 1    643529 1      C-13-H3C(O)CH3
  935583.1991  0.0471 -4.9349 3 1125.7239524  595161404653630 4    643529 4      C-13-H3C(O)CH3
  935583.5480  0.0472 -4.9349 3 1125.7238524  595161404653630 3    643529 3      C-13-H3C(O)CH3
  935872.2694  0.0111 -5.2105 3  297.3685308  595161404381029 4    37 830 4      C-13-H3C(O)CH3
  935872.2694  0.0111 -4.8205 3  297.3685308  59516140438 929 4    37 730 4      C-13-H3C(O)CH3
  935872.2694  0.0111 -5.4173 3  297.3685308  59516140438 929 4    37 830 4      C-13-H3C(O)CH3
  935872.2694  0.0111 -4.8933 3  297.3685308  595161404381029 4    37 730 4      C-13-H3C(O)CH3
  935872.8669  0.0102 -4.8075 3  297.3685308  595161404381029 3    37 730 3      C-13-H3C(O)CH3
  935872.8669  0.0102 -5.4730 3  297.3685308  595161404381029 3    37 830 3      C-13-H3C(O)CH3
  935872.8669  0.0102 -5.4730 3  297.3685308  59516140438 929 3    37 730 3      C-13-H3C(O)CH3
  935872.8669  0.0102 -4.8075 3  297.3685308  59516140438 929 3    37 830 3      C-13-H3C(O)CH3
  935977.9650  0.0088 -3.4619 3  715.7404776  5951614044844 4 0    4743 4 0      C-13-H3C(O)CH3
  935977.9650  0.0088 -3.4619 3  715.7404776  5951614044844 5 0    4743 5 0      C-13-H3C(O)CH3
  936041.5472  0.0101 -3.4618 3  715.7605776 -5951614044844 4 2    4743 4 2      C-13-H3C(O)CH3
  936041.5472  0.0096 -3.4618 3  715.7836776 -5951614044844 4 1    4743 4 1      C-13-H3C(O)CH3
  936094.6749  0.0100 -3.4618 3  715.7291776 -5951614044844 5 2    4743 5 2      C-13-H3C(O)CH3
  936105.2198  0.0147 -3.7628 3  715.8036388  5951614044844 4 4    4743 4 4      C-13-H3C(O)CH3
  936121.1765  0.0300 -5.6467 3  374.0688300  595161404372711 4    362412 4      C-13-H3C(O)CH3
  936149.8412  0.0092 -4.7101 3  297.3791616  595161404381029 2    37 730 2      C-13-H3C(O)CH3
  936149.8412  0.0092 -4.7347 3  297.3791616  595161404381029 2    37 830 2      C-13-H3C(O)CH3
  936149.8412  0.0092 -4.7347 3  297.3791616  59516140438 929 2    37 730 2      C-13-H3C(O)CH3
  936149.8412  0.0092 -4.7101 3  297.3791616  59516140438 929 2    37 830 2      C-13-H3C(O)CH3
  936155.3823  0.0095 -4.8424 3  297.3799616  595161404381029 1    37 830 1      C-13-H3C(O)CH3
  936155.3823  0.0095 -4.6283 3  297.3799616  595161404381029 1    37 730 1      C-13-H3C(O)CH3
  936155.3823  0.0095 -4.6283 3  297.3799616  59516140438 929 1    37 830 1      C-13-H3C(O)CH3
  936155.3823  0.0095 -4.8424 3  297.3799616  59516140438 929 1    37 730 1      C-13-H3C(O)CH3
  936158.4561  0.0145 -3.7628 3  715.7722388  5951614044844 4 3    4743 4 3      C-13-H3C(O)CH3
  936163.6886  0.0097 -3.4617 3  715.7396776 -5951614044844 5 1    4743 5 1      C-13-H3C(O)CH3
  936226.2074  0.0147 -3.7627 3  715.7597388  5951614044844 5 3    4743 5 3      C-13-H3C(O)CH3
  936279.8456  0.0153 -3.7626 3  715.7283388  5951614044844 5 4    4743 5 4      C-13-H3C(O)CH3
  936287.5991  0.1112 -4.9632 3 1365.6642C40  595161404772354 0    762453 0      C-13-H3C(O)CH3
  936287.5991  0.1112 -5.1168 3 1365.6642C40  595161404772354 0    762353 0      C-13-H3C(O)CH3
  936287.5991  0.1112 -4.9632 3 1365.6642C40  595161404772454 0    762353 0      C-13-H3C(O)CH3
  936287.5991  0.1112 -5.1168 3 1365.6642C40  595161404772454 0    762453 0      C-13-H3C(O)CH3
  936290.9060  0.0190 -5.1802 3  374.0848600  595161404372711 1    362412 1      C-13-H3C(O)CH3
  936296.7908  0.1144 -5.8588 3 1365.6842C40  595161404772454 1    762453 1      C-13-H3C(O)CH3
  936296.7908  0.1144 -4.7660 3 1365.6842C40  595161404772454 1    762353 1      C-13-H3C(O)CH3
  936296.7908  0.1144 -5.8588 3 1365.6842C40  595161404772354 1    762353 1      C-13-H3C(O)CH3
  936296.7908  0.1144 -4.7660 3 1365.6842C40  595161404772354 1    762453 1      C-13-H3C(O)CH3
  936300.0066  0.1154 -5.7556 3 1365.6857C40  595161404772454 2    762453 2      C-13-H3C(O)CH3
  936300.0066  0.1154 -4.7755 3 1365.6857C40  595161404772354 2    762453 2      C-13-H3C(O)CH3
  936300.0066  0.1154 -5.7556 3 1365.6857C40  595161404772354 2    762353 2      C-13-H3C(O)CH3
  936300.0066  0.1154 -4.7755 3 1365.6857C40  595161404772454 2    762353 2      C-13-H3C(O)CH3
  936300.4881  0.0067 -4.1070 3  406.1958664  595161404411724 0    401625 0      C-13-H3C(O)CH3
  936300.4952  0.0067 -4.1070 3  406.1958664  595161404411824 0    401525 0      C-13-H3C(O)CH3
  936309.2189  0.0915 -5.0358 3 1365.7058620  595161404772354 3    762353 3      C-13-H3C(O)CH3
  936309.2189  0.0915 -5.0358 3 1365.7058620  595161404772454 3    762453 3      C-13-H3C(O)CH3
  936309.2380  0.0915 -5.0924 3 1365.7058620  595161404772354 4    762353 4      C-13-H3C(O)CH3
  936309.2380  0.0915 -5.9292 3 1365.7058620  595161404772354 4    762453 4      C-13-H3C(O)CH3
  936309.2380  0.0915 -5.9292 3 1365.7058620  595161404772454 4    762353 4      C-13-H3C(O)CH3
  936309.2380  0.0915 -5.0924 3 1365.7058620  595161404772454 4    762453 4      C-13-H3C(O)CH3
  936323.8745  0.0082 -4.1068 3  406.1667664  595161404411724 2    401625 2      C-13-H3C(O)CH3
  936323.8825  0.0082 -4.1068 3  406.1667664  595161404411824 2    401525 2      C-13-H3C(O)CH3
  936333.3013  0.0078 -4.1068 3  406.1684664  595161404411724 1    401625 1      C-13-H3C(O)CH3
  936333.3089  0.0078 -4.1068 3  406.1684664  595161404411824 1    401525 1      C-13-H3C(O)CH3
  936356.6205  0.0090 -4.4075 3  406.1392332  595161404411724 4    401625 4      C-13-H3C(O)CH3
  936356.6290  0.0090 -4.4075 3  406.1392332  595161404411824 4    401525 4      C-13-H3C(O)CH3
  936356.7760  0.0090 -4.4075 3  406.1392332  595161404411724 3    401625 3      C-13-H3C(O)CH3
  936356.7845  0.0090 -4.4075 3  406.1392332  595161404411824 3    401525 3      C-13-H3C(O)CH3
  936427.4403  0.0261 -5.3165 3  374.0903600  595161404372711 2    362412 2      C-13-H3C(O)CH3
  936431.8772  0.0087 -4.6723 3  297.3904616  595161404381029 0    37 730 0      C-13-H3C(O)CH3
  936431.8772  0.0087 -4.7781 3  297.3904616  595161404381029 0    37 830 0      C-13-H3C(O)CH3
  936431.8772  0.0087 -4.7781 3  297.3904616  59516140438 929 0    37 730 0      C-13-H3C(O)CH3
  936431.8772  0.0087 -4.6723 3  297.3904616  59516140438 929 0    37 830 0      C-13-H3C(O)CH3
  936439.5303  0.0351 -4.4778 3  497.0198696  595161404432816 0    422517 0      C-13-H3C(O)CH3
  936460.8787  0.0889 -4.8974 3 1459.8887D68  595161404851571 0    841470 0      C-13-H3C(O)CH3
  936460.8787  0.0889 -5.4387 3 1459.8887D68  595161404851571 0    841570 0      C-13-H3C(O)CH3
  936460.8787  0.0889 -5.4387 3 1459.8887D68  595161404851471 0    841470 0      C-13-H3C(O)CH3
  936460.8787  0.0889 -4.8974 3 1459.8887D68  595161404851471 0    841570 0      C-13-H3C(O)CH3
  936491.6181  0.0304 -5.5707 3  374.0677300  595161404372711 3    362412 3      C-13-H3C(O)CH3
  936492.5232  0.0865 -4.7992 3 1459.8991D68  595161404851571 1    841570 1      C-13-H3C(O)CH3
  936492.5232  0.0865 -4.7992 3 1459.8991D68  595161404851471 1    841470 1      C-13-H3C(O)CH3
  936493.3941  0.0889 -4.7970 3 1459.8992D68  595161404851571 2    841570 2      C-13-H3C(O)CH3
  936493.3941  0.0889 -4.7970 3 1459.8992D68  595161404851471 2    841470 2      C-13-H3C(O)CH3
  936525.0704  0.0811 -5.0916 3 1459.9096684  595161404851471 3    841470 3      C-13-H3C(O)CH3
  936525.0704  0.0811 -5.0916 3 1459.9096684  595161404851571 3    841570 3      C-13-H3C(O)CH3
  936525.1159  0.0811 -5.1016 3 1459.9096684  595161404851471 4    841470 4      C-13-H3C(O)CH3
  936525.1159  0.0811 -5.1016 3 1459.9096684  595161404851571 4    841570 4      C-13-H3C(O)CH3
  936575.2322  0.0163 -4.8715 3  374.1066600  595161404372711 0    362412 0      C-13-H3C(O)CH3
  936577.1977  0.0700 -5.6228 3 1503.4203E80  59516140492 786 0    91 685 0      C-13-H3C(O)CH3
  936577.1977  0.0700 -5.6228 3 1503.4203E80  59516140492 686 0    91 785 0      C-13-H3C(O)CH3
  936577.1977  0.0700 -4.8503 3 1503.4203E80  59516140492 786 0    91 785 0      C-13-H3C(O)CH3
  936577.1977  0.0700 -4.8503 3 1503.4203E80  59516140492 686 0    91 685 0      C-13-H3C(O)CH3
  936589.5149  0.0994 -5.0230 3 1503.3906E80  59516140492 786 1    91 785 1      C-13-H3C(O)CH3
  936589.5149  0.0994 -5.0230 3 1503.3906E80  59516140492 686 1    91 685 1      C-13-H3C(O)CH3
  936589.5149  0.0994 -5.1538 3 1503.3906E80  59516140492 786 1    91 685 1      C-13-H3C(O)CH3
  936589.5149  0.0994 -5.1538 3 1503.3906E80  59516140492 686 1    91 785 1      C-13-H3C(O)CH3
  936589.5274  0.0954 -5.7419 3 1503.3905E80  59516140492 686 2    91 685 2      C-13-H3C(O)CH3
  936589.5274  0.0954 -4.8330 3 1503.3905E80  59516140492 786 2    91 685 2      C-13-H3C(O)CH3
  936589.5274  0.0954 -5.7419 3 1503.3905E80  59516140492 786 2    91 785 2      C-13-H3C(O)CH3
  936589.5274  0.0954 -4.8330 3 1503.3905E80  59516140492 686 2    91 785 2      C-13-H3C(O)CH3
  936601.8466  0.0587 -5.5762 3 1503.3607740  59516140492 686 4    91 685 4      C-13-H3C(O)CH3
  936601.8466  0.0587 -5.2519 3 1503.3607740  59516140492 686 4    91 785 4      C-13-H3C(O)CH3
  936601.8466  0.0587 -5.2519 3 1503.3607740  59516140492 786 4    91 685 4      C-13-H3C(O)CH3
  936601.8466  0.0587 -5.5762 3 1503.3607740  59516140492 786 4    91 785 4      C-13-H3C(O)CH3
  936601.8514  0.0587 -5.1992 3 1503.3608740  59516140492 786 3    91 685 3      C-13-H3C(O)CH3
  936601.8514  0.0587 -5.1992 3 1503.3608740  59516140492 686 3    91 785 3      C-13-H3C(O)CH3
  936601.8514  0.0587 -5.7143 3 1503.3608740  59516140492 686 3    91 685 3      C-13-H3C(O)CH3
  936601.8514  0.0587 -5.7143 3 1503.3608740  59516140492 786 3    91 785 3      C-13-H3C(O)CH3
  936627.1456  0.0195 -5.1615 3  374.0848600  595161404372710 1    362412 1      C-13-H3C(O)CH3
  936752.3917  0.0262 -5.3905 3  374.0677300  595161404372710 3    362412 3      C-13-H3C(O)CH3
  936782.1635  0.0313 -4.4832 3  496.9972696  595161404432816 1    422517 1      C-13-H3C(O)CH3
  937024.8155  0.0231 -5.0638 3  374.0903600  595161404372710 2    362412 2      C-13-H3C(O)CH3
  937027.4123  0.0288 -5.4546 3  392.3697308  595161404382712 4    372413 4      C-13-H3C(O)CH3
  937056.4266  0.0261 -5.3463 3  374.0688300  595161404372710 4    362412 4      C-13-H3C(O)CH3
  937067.2622  0.0167 -5.3692 3  257.4997300  59516140437 631 4    36 432 4      C-13-H3C(O)CH3
  937067.2622  0.0167 -5.2550 3  257.4997300  59516140437 731 4    36 432 4      C-13-H3C(O)CH3
  937067.2622  0.0167 -5.3692 3  257.4997300  59516140437 731 4    36 532 4      C-13-H3C(O)CH3
  937067.2622  0.0167 -5.2550 3  257.4997300  59516140437 631 4    36 532 4      C-13-H3C(O)CH3
  937067.6862  0.0152 -5.7591 3  257.4996300  59516140437 731 3    36 432 3      C-13-H3C(O)CH3
  937067.6862  0.0152 -5.0920 3  257.4996300  59516140437 731 3    36 532 3      C-13-H3C(O)CH3
  937067.6862  0.0152 -5.7591 3  257.4996300  59516140437 631 3    36 532 3      C-13-H3C(O)CH3
  937067.6862  0.0152 -5.0920 3  257.4996300  59516140437 631 3    36 432 3      C-13-H3C(O)CH3
  937094.2186  0.0197 -5.0623 3  392.3896616  595161404382712 1    372413 1      C-13-H3C(O)CH3
  937269.9666  0.1136 -4.9909 3 1381.7890C56  595161404782256 0    772255 0      C-13-H3C(O)CH3
  937269.9666  0.1136 -5.1112 3 1381.7890C56  595161404782256 0    772355 0      C-13-H3C(O)CH3
  937269.9666  0.1136 -4.9909 3 1381.7890C56  595161404782356 0    772355 0      C-13-H3C(O)CH3
  937269.9666  0.1136 -5.1112 3 1381.7890C56  595161404782356 0    772255 0      C-13-H3C(O)CH3
  937280.9339  0.1172 -4.7494 3 1381.8090C56  595161404782356 1    772355 1      C-13-H3C(O)CH3
  937280.9339  0.1172 -4.7494 3 1381.8090C56  595161404782256 1    772255 1      C-13-H3C(O)CH3
  937284.1120  0.1184 -4.7498 3 1381.8104C56  595161404782256 2    772355 2      C-13-H3C(O)CH3
  937284.1120  0.1184 -4.7498 3 1381.8104C56  595161404782356 2    772255 2      C-13-H3C(O)CH3
  937295.1014  0.0927 -5.9479 3 1381.8304628  595161404782356 3    772255 3      C-13-H3C(O)CH3
  937295.1014  0.0927 -5.1052 3 1381.8304628  595161404782356 3    772355 3      C-13-H3C(O)CH3
  937295.1014  0.0927 -5.1052 3 1381.8304628  595161404782256 3    772255 3      C-13-H3C(O)CH3
  937295.1014  0.0927 -5.9479 3 1381.8304628  595161404782256 3    772355 3      C-13-H3C(O)CH3
  937295.1233  0.0927 -5.0513 3 1381.8305628  595161404782356 4    772355 4      C-13-H3C(O)CH3
  937295.1233  0.0927 -5.0592 3 1381.8305628  595161404782356 4    772255 4      C-13-H3C(O)CH3
  937315.8000  0.0498 -4.4938 3  496.9812696  595161404432816 2    422517 2      C-13-H3C(O)CH3
  937319.0116  0.0253 -5.1281 3  392.3890616  595161404382712 2    372413 2      C-13-H3C(O)CH3
  937347.9012  0.0172 -4.8012 3  392.4091616  595161404382712 0    372413 0      C-13-H3C(O)CH3
  937465.8603  0.0312 -5.3770 3  392.3689308  595161404382712 3    372413 3      C-13-H3C(O)CH3
  937512.0792  0.0458 -4.8126 3  496.9588348  595161404432816 4    422517 4      C-13-H3C(O)CH3
  937513.5785  0.0218 -5.1430 3  392.3896616  595161404382711 1    372413 1      C-13-H3C(O)CH3
  937580.1074  0.0128 -4.7057 3  257.4875600  59516140437 731 2    36 432 2      C-13-H3C(O)CH3
  937580.1074  0.0128 -4.7057 3  257.4875600  59516140437 631 2    36 532 2      C-13-H3C(O)CH3
  937583.8615  0.0140 -4.7262 3  257.4880600  59516140437 631 1    36 532 1      C-13-H3C(O)CH3
  937583.8615  0.0140 -4.7262 3  257.4880600  59516140437 731 1    36 432 1      C-13-H3C(O)CH3
  937612.7634  0.0831 -4.9707 3 1471.0939D84  595161404861373 0    851372 0      C-13-H3C(O)CH3
  937612.7634  0.0831 -5.2761 3 1471.0939D84  595161404861373 0    851472 0      C-13-H3C(O)CH3
  937612.7634  0.0831 -4.9707 3 1471.0939D84  595161404861473 0    851472 0      C-13-H3C(O)CH3
  937612.7634  0.0831 -5.2761 3 1471.0939D84  595161404861473 0    851372 0      C-13-H3C(O)CH3
  937646.0911  0.0812 -4.8210 3 1471.1013D84  595161404861373 1    851472 1      C-13-H3C(O)CH3
  937646.0911  0.0812 -4.8210 3 1471.1013D84  595161404861473 1    851372 1      C-13-H3C(O)CH3
  937646.6251  0.0822 -4.7969 3 1471.1012D84  595161404861473 2    851372 2      C-13-H3C(O)CH3
  937646.6251  0.0822 -4.7969 3 1471.1012D84  595161404861373 2    851472 2      C-13-H3C(O)CH3
  937651.6643  0.0279 -5.8311 3  217.0108292  59516140436 333 3    35 134 3      C-13-H3C(O)CH3
  937651.6643  0.0279 -6.0096 3  217.0108292  59516140436 333 3    35 234 3      C-13-H3C(O)CH3
  937651.6643  0.0279 -6.0096 3  217.0108292  59516140436 433 3    35 134 3      C-13-H3C(O)CH3
  937651.6643  0.0279 -5.8311 3  217.0108292  59516140436 433 3    35 234 3      C-13-H3C(O)CH3
  937652.1650  0.0298 -5.6165 3  217.0108292  59516140436 333 4    35 234 4      C-13-H3C(O)CH3
  937652.1650  0.0298 -5.6165 3  217.0108292  59516140436 433 4    35 134 4      C-13-H3C(O)CH3
  937679.9834  0.0790 -5.1147 3 1471.1085692  595161404861473 3    851472 3      C-13-H3C(O)CH3
  937679.9834  0.0790 -5.1147 3 1471.1085692  595161404861373 3    851372 3      C-13-H3C(O)CH3
  937680.0301  0.0790 -5.4181 3 1471.1085692  595161404861373 4    851372 4      C-13-H3C(O)CH3
  937680.0301  0.0790 -5.3790 3 1471.1085692  595161404861373 4    851472 4      C-13-H3C(O)CH3
  937680.0301  0.0790 -5.4181 3 1471.1085692  595161404861473 4    851472 4      C-13-H3C(O)CH3
  937680.0301  0.0790 -5.3790 3 1471.1085692  595161404861473 4    851372 4      C-13-H3C(O)CH3
  937755.5513  0.0067 -3.5205 3  721.6140792 -5951614044942 7 0    4841 8 0      C-13-H3C(O)CH3
  937755.5513  0.0067 -3.5205 3  721.6140792 -5951614044942 8 0    4841 7 0      C-13-H3C(O)CH3
  937764.2361  0.0088 -3.5205 3  721.6318792 -5951614044942 7 2    4841 7 2      C-13-H3C(O)CH3
  937805.1832  0.0541 -4.7847 3  496.9586348  595161404432816 3    422517 3      C-13-H3C(O)CH3
  937806.0938  0.0079 -3.5205 3  721.6435792 -5951614044942 7 1    4841 7 1      C-13-H3C(O)CH3
  937814.3274  0.0129 -3.8215 3  721.6612396  5951614044942 7 4    4841 7 4      C-13-H3C(O)CH3
  937827.5881  0.0318 -5.4281 3  392.3689308  595161404382711 3    372413 3      C-13-H3C(O)CH3
  937840.0565  0.0081 -3.5205 3  721.6188792 -5951614044942 8 2    4841 8 2      C-13-H3C(O)CH3
  937841.4747  0.0637 -4.8701 3 1510.3440E96  59516140493 688 0    92 587 0      C-13-H3C(O)CH3
  937841.4747  0.0637 -5.5321 3 1510.3440E96  59516140493 688 0    92 687 0      C-13-H3C(O)CH3
  937841.4747  0.0637 -4.8701 3 1510.3440E96  59516140493 588 0    92 687 0      C-13-H3C(O)CH3
  937841.4747  0.0637 -5.5321 3 1510.3440E96  59516140493 588 0    92 587 0      C-13-H3C(O)CH3
  937844.3484  0.0889 -5.6709 3 1510.3105E96  59516140493 688 1    92 687 1      C-13-H3C(O)CH3
  937844.3484  0.0889 -4.8449 3 1510.3105E96  59516140493 588 1    92 687 1      C-13-H3C(O)CH3
  937844.3484  0.0889 -5.6709 3 1510.3105E96  59516140493 588 1    92 587 1      C-13-H3C(O)CH3
  937844.3484  0.0889 -4.8449 3 1510.3105E96  59516140493 688 1    92 587 1      C-13-H3C(O)CH3
  937844.4534  0.0866 -4.8046 3 1510.3104E96  59516140493 588 2    92 687 2      C-13-H3C(O)CH3
  937844.4534  0.0866 -4.8046 3 1510.3104E96  59516140493 688 2    92 587 2      C-13-H3C(O)CH3
  937847.3125  0.0524 -5.3500 3 1510.2768748  59516140493 688 4    92 687 4      C-13-H3C(O)CH3
  937847.3125  0.0524 -5.4263 3 1510.2768748  59516140493 688 4    92 587 4      C-13-H3C(O)CH3
  937847.3125  0.0524 -5.4263 3 1510.2768748  59516140493 588 4    92 687 4      C-13-H3C(O)CH3
  937847.3125  0.0524 -5.3500 3 1510.2768748  59516140493 588 4    92 587 4      C-13-H3C(O)CH3
  937847.3364  0.0524 -5.1970 3 1510.2769748  59516140493 588 3    92 687 3      C-13-H3C(O)CH3
  937847.3364  0.0524 -5.7302 3 1510.2769748  59516140493 688 3    92 687 3      C-13-H3C(O)CH3
  937847.3364  0.0524 -5.1970 3 1510.2769748  59516140493 688 3    92 587 3      C-13-H3C(O)CH3
  937847.3364  0.0524 -5.7302 3 1510.2769748  59516140493 588 3    92 587 3      C-13-H3C(O)CH3
  937866.8065  0.0193 -5.4981 3  764.8322856  595161404533420 1    523320 1      C-13-H3C(O)CH3
  937880.9583  0.0187 -5.3048 3  764.8335856  595161404533420 2    523320 2      C-13-H3C(O)CH3
  937889.9495  0.0119 -3.8215 3  721.6483396  5951614044942 7 3    4841 7 3      C-13-H3C(O)CH3
  937899.9822  0.0076 -3.5204 3  721.6122792 -5951614044942 8 1    4841 8 1      C-13-H3C(O)CH3
  937907.9549  0.0123 -3.8215 3  721.6299396  5951614044942 8 3    4841 8 3      C-13-H3C(O)CH3
  937953.0357  0.0245 -5.1360 3  764.8394428  595161404533420 4    523320 4      C-13-H3C(O)CH3
  937984.2408  0.0117 -3.8215 3  721.6170396  5951614044942 8 4    4841 8 4      C-13-H3C(O)CH3
  938095.2408  0.0286 -5.0778 3  392.3890616  595161404382711 2    372413 2      C-13-H3C(O)CH3
  938095.2781  0.0122 -4.7053 3  257.4759600  59516140437 731 0    36 532 0      C-13-H3C(O)CH3
  938095.2781  0.0122 -4.7053 3  257.4759600  59516140437 631 0    36 432 0      C-13-H3C(O)CH3
  938218.6981  0.0332 -5.3544 3  392.3697308  595161404382711 4    372413 4      C-13-H3C(O)CH3
  938281.4052  0.1153 -5.1492 3 1397.3610C72  595161404792258 0    782257 0      C-13-H3C(O)CH3
  938281.4052  0.1153 -5.2853 3 1397.3610C72  595161404792158 0    782157 0      C-13-H3C(O)CH3
  938281.4052  0.1153 -4.9863 3 1397.3610C72  595161404792158 0    782257 0      C-13-H3C(O)CH3
  938281.4052  0.1153 -4.9126 3 1397.3610C72  595161404792258 0    782157 0      C-13-H3C(O)CH3
  938294.4149  0.1190 -5.1532 3 1397.3808C72  595161404792258 1    782257 1      C-13-H3C(O)CH3
  938294.4149  0.1190 -4.9836 3 1397.3808C72  595161404792258 1    782157 1      C-13-H3C(O)CH3
  938294.4149  0.1190 -4.9836 3 1397.3808C72  595161404792158 1    782257 1      C-13-H3C(O)CH3
  938294.4149  0.1190 -5.1532 3 1397.3808C72  595161404792158 1    782157 1      C-13-H3C(O)CH3
  938297.4950  0.1205 -5.8408 3 1397.3821C72  595161404792258 2    782157 2      C-13-H3C(O)CH3
  938297.4950  0.1205 -4.7967 3 1397.3821C72  595161404792258 2    782257 2      C-13-H3C(O)CH3
  938297.4950  0.1205 -5.8408 3 1397.3821C72  595161404792158 2    782257 2      C-13-H3C(O)CH3
  938297.4950  0.1205 -4.7967 3 1397.3821C72  595161404792158 2    782157 2      C-13-H3C(O)CH3
  938310.5283  0.0935 -5.0826 3 1397.4020636  595161404792258 3    782157 3      C-13-H3C(O)CH3
  938310.5283  0.0935 -5.0826 3 1397.4020636  595161404792158 3    782257 3      C-13-H3C(O)CH3
  938310.5532  0.0935 -5.1506 3 1397.4020636  595161404792258 4    782257 4      C-13-H3C(O)CH3
  938310.5532  0.0935 -5.7864 3 1397.4020636  595161404792258 4    782157 4      C-13-H3C(O)CH3
  938310.5532  0.0935 -5.1506 3 1397.4020636  595161404792158 4    782157 4      C-13-H3C(O)CH3
  938310.5532  0.0935 -5.7864 3 1397.4020636  595161404792158 4    782257 4      C-13-H3C(O)CH3
  938502.1380  0.0338 -5.3417 3  216.9599584  59516140436 433 2    35 134 2      C-13-H3C(O)CH3
  938502.1380  0.0338 -5.3417 3  216.9599584  59516140436 333 2    35 234 2      C-13-H3C(O)CH3
  938503.7045  0.0357 -5.3630 3  216.9603584  59516140436 433 1    35 134 1      C-13-H3C(O)CH3
  938503.7045  0.0357 -5.3630 3  216.9603584  59516140436 333 1    35 234 1      C-13-H3C(O)CH3
  938514.7489  0.0228 -5.3483 3  373.9889300  595161404372711 4    362413 4      C-13-H3C(O)CH3
  938561.2638  0.0181 -5.1612 3  374.0090600  595161404372711 1    362413 1      C-13-H3C(O)CH3
  938768.5792  0.0200 -5.0650 3  374.0122600  595161404372711 2    362413 2      C-13-H3C(O)CH3
  938778.6252  0.0779 -4.8433 3 1481.7658E00  595161404871375 0    861274 0      C-13-H3C(O)CH3
  938778.6252  0.0779 -5.0101 3 1481.7658E00  595161404871275 0    861374 0      C-13-H3C(O)CH3
  938778.6252  0.0779 -5.8647 3 1481.7658E00  595161404871275 0    861274 0      C-13-H3C(O)CH3
  938778.6252  0.0779 -5.2261 3 1481.7658E00  595161404871375 0    861374 0      C-13-H3C(O)CH3
  938812.9919  0.0785 -4.9026 3 1481.7694E00  595161404871275 1    861374 1      C-13-H3C(O)CH3
  938812.9919  0.0785 -5.4951 3 1481.7694E00  595161404871275 1    861274 1      C-13-H3C(O)CH3
  938812.9919  0.0785 -5.4951 3 1481.7694E00  595161404871375 1    861374 1      C-13-H3C(O)CH3
  938812.9919  0.0785 -4.9026 3 1481.7694E00  595161404871375 1    861274 1      C-13-H3C(O)CH3
  938813.2303  0.0775 -5.4826 3 1481.7693E00  595161404871275 2    861374 2      C-13-H3C(O)CH3
  938813.2303  0.0775 -5.4826 3 1481.7693E00  595161404871375 2    861274 2      C-13-H3C(O)CH3
  938813.2303  0.0775 -4.9059 3 1481.7693E00  595161404871375 2    861374 2      C-13-H3C(O)CH3
  938813.2303  0.0775 -4.9059 3 1481.7693E00  595161404871275 2    861274 2      C-13-H3C(O)CH3
  938814.2195  0.0237 -5.3910 3  373.9902300  595161404372711 3    362413 3      C-13-H3C(O)CH3
  938837.5752  0.0157 -4.8705 3  374.0315600  595161404372710 0    362413 0      C-13-H3C(O)CH3
  938847.6253  0.0770 -5.1358 3 1481.7729700  595161404871375 3    861274 3      C-13-H3C(O)CH3
  938847.6253  0.0770 -5.1358 3 1481.7729700  595161404871275 3    861374 3      C-13-H3C(O)CH3
  938847.6723  0.0770 -5.1063 3 1481.7729700  595161404871375 4    861274 4      C-13-H3C(O)CH3
  938847.6723  0.0770 -5.1063 3 1481.7729700  595161404871275 4    861374 4      C-13-H3C(O)CH3
  938897.5034  0.0198 -5.1784 3  374.0090600  595161404372710 1    362413 1      C-13-H3C(O)CH3
  939074.9931  0.0325 -5.5683 3  373.9902300  595161404372710 3    362413 3      C-13-H3C(O)CH3
  939105.4569  0.0435 -5.0870 3 1516.6693756  59516140494 590 4    93 489 4      C-13-H3C(O)CH3
  939105.4569  0.0435 -5.0870 3 1516.6693756  59516140494 490 4    93 589 4      C-13-H3C(O)CH3
  939105.4951  0.0435 -5.0903 3 1516.6693756  59516140494 590 3    93 589 3      C-13-H3C(O)CH3
  939105.4951  0.0435 -5.0867 3 1516.6693756  59516140494 490 3    93 489 3      C-13-H3C(O)CH3
  939112.6901  0.0692 -4.7858 3 1516.7037F12  59516140494 590 1    93 489 1      C-13-H3C(O)CH3
  939112.6901  0.0692 -4.7858 3 1516.7037F12  59516140494 490 1    93 589 1      C-13-H3C(O)CH3
  939112.8076  0.0690 -4.9613 3 1516.7035F12  59516140494 490 2    93 589 2      C-13-H3C(O)CH3
  939112.8076  0.0690 -5.2635 3 1516.7035F12  59516140494 490 2    93 489 2      C-13-H3C(O)CH3
  939112.8076  0.0690 -4.9613 3 1516.7035F12  59516140494 590 2    93 489 2      C-13-H3C(O)CH3
  939112.8076  0.0690 -5.2635 3 1516.7035F12  59516140494 590 2    93 589 2      C-13-H3C(O)CH3
  939120.0146  0.0517 -5.8797 3 1516.7378F12  59516140494 490 0    93 489 0      C-13-H3C(O)CH3
  939120.0146  0.0517 -4.8221 3 1516.7378F12  59516140494 590 0    93 489 0      C-13-H3C(O)CH3
  939120.0146  0.0517 -4.8221 3 1516.7378F12  59516140494 490 0    93 589 0      C-13-H3C(O)CH3
  939120.0146  0.0517 -5.8797 3 1516.7378F12  59516140494 590 0    93 589 0      C-13-H3C(O)CH3
  939154.2490  0.0301 -4.0903 3  531.8197728  595161404452520 2    442421 2      C-13-H3C(O)CH3
  939157.0197  0.0310 -4.3910 3  531.8009364  595161404452520 3    442421 3      C-13-H3C(O)CH3
  939160.6612  0.0315 -4.3910 3  531.8008364  595161404452520 4    442421 4      C-13-H3C(O)CH3
  939190.0207  0.0085 -3.5912 3  729.2386808 -595161404504010 2    493910 2      C-13-H3C(O)CH3
  939211.5239  0.0061 -3.5910 3  729.2103808 -595161404504011 0    493910 0      C-13-H3C(O)CH3
  939211.5239  0.0061 -3.5910 3  729.2103808 -595161404504010 0    493911 0      C-13-H3C(O)CH3
  939221.9827  0.0121 -3.8923 3  729.2646404  595161404504010 4    493910 4      C-13-H3C(O)CH3
  939236.4636  0.0165 -4.0904 3  531.8421728  595161404452520 0    442421 0      C-13-H3C(O)CH3
  939241.3047  0.0152 -4.0901 3  531.8233728  595161404452520 1    442421 1      C-13-H3C(O)CH3
  939243.7252  0.0073 -3.5910 3  729.2364808 -595161404504010 1    493910 1      C-13-H3C(O)CH3
  939306.8678  0.0076 -3.5910 3  729.2300808 -595161404504011 2    493911 2      C-13-H3C(O)CH3
  939316.2850  0.0114 -3.8922 3  729.2428404  595161404504011 3    493911 3      C-13-H3C(O)CH3
  939317.7804  0.1160 -4.7720 3 1412.3835C88  595161404802060 0    792159 0      C-13-H3C(O)CH3
  939317.7804  0.1160 -4.7720 3 1412.3835C88  595161404802160 0    792059 0      C-13-H3C(O)CH3
  939333.0698  0.1196 -4.7806 3 1412.4031C88  595161404802160 1    792059 1      C-13-H3C(O)CH3
  939333.0698  0.1196 -4.7806 3 1412.4031C88  595161404802060 1    792159 1      C-13-H3C(O)CH3
  939335.9907  0.1215 -4.8809 3 1412.4042C88  595161404802160 2    792059 2      C-13-H3C(O)CH3
  939335.9907  0.1215 -5.4264 3 1412.4042C88  595161404802160 2    792159 2      C-13-H3C(O)CH3
  939335.9907  0.1215 -4.7957 3 1412.4042C88  595161404802060 2    792159 2      C-13-H3C(O)CH3
  939338.1401  0.0072 -3.5909 3  729.2145808 -595161404504011 1    493911 1      C-13-H3C(O)CH3
  939338.8722  0.0106 -3.8921 3  729.2562404  595161404504010 3    493910 3      C-13-H3C(O)CH3
  939351.3054  0.0938 -5.1083 3 1412.4237644  595161404802160 3    792159 3      C-13-H3C(O)CH3
  939351.3054  0.0938 -5.1083 3 1412.4237644  595161404802060 3    792059 3      C-13-H3C(O)CH3
  939351.3333  0.0938 -5.1175 3 1412.4237644  595161404802160 4    792059 4      C-13-H3C(O)CH3
  939351.3333  0.0938 -5.1175 3 1412.4237644  595161404802060 4    792159 4      C-13-H3C(O)CH3
  939352.2318  0.0322 -5.5075 3  216.9095584  59516140436 433 0    35 234 0      C-13-H3C(O)CH3
  939352.2318  0.0322 -5.7384 3  216.9095584  59516140436 433 0    35 134 0      C-13-H3C(O)CH3
  939352.2318  0.0322 -5.5075 3  216.9095584  59516140436 333 0    35 134 0      C-13-H3C(O)CH3
  939352.2318  0.0322 -5.7384 3  216.9095584  59516140436 333 0    35 234 0      C-13-H3C(O)CH3
  939365.9545  0.0307 -5.3133 3  374.0122600  595161404372710 2    362413 2      C-13-H3C(O)CH3
  939433.5516  0.0104 -3.8921 3  729.2342404  595161404504011 4    493911 4      C-13-H3C(O)CH3
  939449.9989  0.0367 -5.6426 3  373.9889300  595161404372710 4    362413 4      C-13-H3C(O)CH3
  939628.1152  0.0102 -3.7979 3  750.4139840 -595161404523617 0    513516 0      C-13-H3C(O)CH3
  939710.4067  0.1262 -5.4128 3  750.4717420  595161404523617 3    513516 3      C-13-H3C(O)CH3
  939723.7736  0.0104 -3.7989 3  750.4646840 -595161404523616 2    513516 2      C-13-H3C(O)CH3
  939728.7427  0.0102 -3.7979 3  750.4115840  595161404523616 0    513517 0      C-13-H3C(O)CH3
  939743.7311  0.0105 -3.7994 3  750.4504840 -595161404523616 1    513516 1      C-13-H3C(O)CH3
  939791.2069  0.0149 -4.0994 3  750.5022420  595161404523616 4    513516 4      C-13-H3C(O)CH3
  939808.4551  0.1789 -4.3557 3  879.6412920  595161404573523 0    563422 0      C-13-H3C(O)CH3
  939853.4301  0.0100 -3.7990 3  750.4197840 -595161404523617 1    513517 1      C-13-H3C(O)CH3
  939884.8883  0.0102 -3.7982 3  750.4261840 -595161404523617 2    513517 2      C-13-H3C(O)CH3
  939895.5946  0.0154 -4.1203 3  750.4717420  595161404523616 3    513516 3      C-13-H3C(O)CH3
  939904.5042  0.0762 -4.6607 3 1225.6169B12  595161404693237 0    683336 0      C-13-H3C(O)CH3
  939904.5103  0.0762 -4.6607 3 1225.6169B12  595161404693337 0    683236 0      C-13-H3C(O)CH3
  939912.4110  0.0761 -4.6608 3 1225.6335B12  595161404693237 1    683336 1      C-13-H3C(O)CH3
  939912.4188  0.0761 -4.6608 3 1225.6335B12  595161404693337 1    683236 1      C-13-H3C(O)CH3
  939914.1311  0.0788 -4.6608 3 1225.6358B12  595161404693237 2    683336 2      C-13-H3C(O)CH3
  939914.1376  0.0788 -4.6608 3 1225.6358B12  595161404693337 2    683236 2      C-13-H3C(O)CH3
  939922.0569  0.0720 -4.9619 3 1225.6524556  595161404693237 3    683336 3      C-13-H3C(O)CH3
  939922.0595  0.0720 -4.9619 3 1225.6525556  595161404693237 4    683336 4      C-13-H3C(O)CH3
  939922.0652  0.0720 -4.9619 3 1225.6524556  595161404693337 3    683236 3      C-13-H3C(O)CH3
  939922.0677  0.0720 -4.9619 3 1225.6525556  595161404693337 4    683236 4      C-13-H3C(O)CH3
  939954.3265  0.0154 -4.1201 3  750.4636420  595161404523617 3    513517 3      C-13-H3C(O)CH3
  939958.4542  0.0743 -4.8135 3 1491.9056E16  595161404881277 0    871176 0      C-13-H3C(O)CH3
  939958.4542  0.0743 -4.8135 3 1491.9056E16  595161404881177 0    871276 0      C-13-H3C(O)CH3
  939970.5768  0.0815 -4.6701 3 1247.0766B28  595161404703139 0    693238 0      C-13-H3C(O)CH3
  939970.5769  0.0815 -4.6701 3 1247.0766B28  595161404703239 0    693138 0      C-13-H3C(O)CH3
  939975.7303  0.0817 -4.6702 3 1247.0940B28  595161404703139 1    693238 1      C-13-H3C(O)CH3
  939975.7304  0.0817 -4.6702 3 1247.0940B28  595161404703239 1    693138 1      C-13-H3C(O)CH3
  939977.7269  0.0841 -4.6702 3 1247.0962B28  595161404703139 2    693238 2      C-13-H3C(O)CH3
  939977.7271  0.0841 -4.6702 3 1247.0962B28  595161404703239 2    693138 2      C-13-H3C(O)CH3
  939982.8951  0.0755 -4.9712 3 1247.1137564  595161404703139 3    693238 3      C-13-H3C(O)CH3
  939982.8953  0.0755 -4.9712 3 1247.1137564  595161404703239 3    693138 3      C-13-H3C(O)CH3
  939982.8958  0.0755 -4.9712 3 1247.1137564  595161404703139 4    693238 4      C-13-H3C(O)CH3
  939982.8959  0.0755 -4.9712 3 1247.1137564  595161404703239 4    693138 4      C-13-H3C(O)CH3
  939984.0504  0.0240 -3.4095 3  720.6913760  5951614044747 0 0    4646 1 0      C-13-H3C(O)CH3
  939984.0504  0.0240 -3.4095 3  720.6913760  5951614044747 1 0    4646 0 0      C-13-H3C(O)CH3
  939992.9761  0.0800 -4.8471 3 1491.9050E16  595161404881177 1    871276 1      C-13-H3C(O)CH3
  939992.9761  0.0800 -5.9060 3 1491.9050E16  595161404881177 1    871176 1      C-13-H3C(O)CH3
  939992.9761  0.0800 -5.9060 3 1491.9050E16  595161404881277 1    871276 1      C-13-H3C(O)CH3
  939992.9761  0.0800 -4.8471 3 1491.9050E16  595161404881277 1    871176 1      C-13-H3C(O)CH3
  939992.9809  0.0766 -4.8121 3 1491.9047E16  595161404881177 2    871276 2      C-13-H3C(O)CH3
  939992.9809  0.0766 -4.8121 3 1491.9047E16  595161404881277 2    871176 2      C-13-H3C(O)CH3
  940014.2263  0.0250 -3.4096 3  720.7648760  5951614044747 0 1    4646 0 1      C-13-H3C(O)CH3
  940027.5277  0.0752 -5.1129 3 1491.9040708  595161404881177 3    871276 3      C-13-H3C(O)CH3
  940027.5277  0.0752 -5.1129 3 1491.9040708  595161404881277 3    871176 3      C-13-H3C(O)CH3
  940027.5738  0.0752 -5.1427 3 1491.9040708  595161404881177 4    871276 4      C-13-H3C(O)CH3
  940027.5738  0.0752 -5.1427 3 1491.9040708  595161404881277 4    871176 4      C-13-H3C(O)CH3
  940058.7354  0.0148 -4.0983 3  750.4331420  595161404523617 4    513517 4      C-13-H3C(O)CH3
  940059.4154  0.0084 -3.6793 3  738.7526824 -595161404513813 2    503713 2      C-13-H3C(O)CH3
  940072.4241  0.0070 -3.6790 3  738.7092824 -595161404513814 0    503713 0      C-13-H3C(O)CH3
  940072.4241  0.0070 -3.6790 3  738.7092824 -595161404513813 0    503714 0      C-13-H3C(O)CH3
  940090.1182  0.0112 -3.9805 3  738.7837412  595161404513813 4    503713 4      C-13-H3C(O)CH3
  940103.0958  0.0081 -3.6791 3  738.7404824 -595161404513813 1    503713 1      C-13-H3C(O)CH3
  940114.5330  0.0263 -3.4095 3  720.7442760  5951614044747 0 2    4646 0 2      C-13-H3C(O)CH3
  940139.5144  0.1277 -5.4125 3  750.4636420  595161404523616 3    513517 3      C-13-H3C(O)CH3
  940145.3217  0.0306 -3.7107 3  720.8178380  5951614044747 0 4    4646 0 4      C-13-H3C(O)CH3
  940197.6636  0.0116 -3.9803 3  738.7626412  595161404513814 3    503714 3      C-13-H3C(O)CH3
  940210.4342  0.0084 -3.6790 3  738.7193824  595161404513814 1    503714 1      C-13-H3C(O)CH3
  940211.8737  0.0303 -3.4093 3  720.6767760  5951614044747 1 2    4646 1 2      C-13-H3C(O)CH3
  940212.5577  0.0083 -3.6789 3  738.7339824  595161404513814 2    503714 2      C-13-H3C(O)CH3
  940216.5434  0.0709 -4.6547 3 1203.4752A96  595161404683335 0    673434 0      C-13-H3C(O)CH3
  940216.8247  0.0709 -4.6547 3 1203.4752A96  595161404683435 0    673334 0      C-13-H3C(O)CH3
  940228.8531  0.0707 -4.6547 3 1203.4907A96  595161404683335 1    673434 1      C-13-H3C(O)CH3
  940229.1850  0.0707 -4.6547 3 1203.4907A96  595161404683435 1    673334 1      C-13-H3C(O)CH3
  940230.2761  0.0278 -3.4093 3  720.7135760  5951614044747 1 1    4646 1 1      C-13-H3C(O)CH3
  940230.3302  0.0735 -4.6547 3 1203.4931A96  595161404683335 2    673434 2      C-13-H3C(O)CH3
  940230.6290  0.0735 -4.6547 3 1203.4931A96  595161404683435 2    673334 2      C-13-H3C(O)CH3
  940242.6574  0.0356 -3.7104 3  720.7501380  5951614044747 1 3    4646 1 3      C-13-H3C(O)CH3
  940242.6673  0.0682 -4.9558 3 1203.5086548  595161404683335 3    673434 3      C-13-H3C(O)CH3
  940242.6759  0.0682 -4.9558 3 1203.5087548  595161404683335 4    673434 4      C-13-H3C(O)CH3
  940243.0195  0.0682 -4.9558 3 1203.5086548  595161404683435 3    673334 3      C-13-H3C(O)CH3
  940243.0266  0.0682 -4.9558 3 1203.5087548  595161404683435 4    673334 4      C-13-H3C(O)CH3
  940243.5964  0.0108 -3.9801 3  738.7651412  595161404513813 3    503713 3      C-13-H3C(O)CH3
  940291.8138  0.0870 -4.6817 3 1267.8891B44  595161404713141 0    703040 0      C-13-H3C(O)CH3
  940291.8138  0.0870 -4.6817 3 1267.8891B44  595161404713041 0    703140 0      C-13-H3C(O)CH3
  940295.2862  0.0874 -4.6815 3 1267.9071B44  595161404713041 1    703140 1      C-13-H3C(O)CH3
  940295.2862  0.0874 -4.6815 3 1267.9071B44  595161404713141 1    703040 1      C-13-H3C(O)CH3
  940297.5652  0.0894 -4.6820 3 1267.9092B44  595161404713141 2    703040 2      C-13-H3C(O)CH3
  940297.5652  0.0894 -4.6819 3 1267.9092B44  595161404713041 2    703140 2      C-13-H3C(O)CH3
  940301.0506  0.0790 -4.9826 3 1267.9273572  595161404713041 3    703140 3      C-13-H3C(O)CH3
  940301.0506  0.0790 -4.9826 3 1267.9273572  595161404713141 3    703040 3      C-13-H3C(O)CH3
  940301.0510  0.0790 -4.9826 3 1267.9274572  595161404713141 4    703040 4      C-13-H3C(O)CH3
  940301.0510  0.0790 -4.9826 3 1267.9274572  595161404713041 4    703140 4      C-13-H3C(O)CH3
  940351.1171  0.0122 -3.9799 3  738.7439412  595161404513814 4    503714 4      C-13-H3C(O)CH3
  940361.3925  0.0357 -3.7104 3  720.7664380  5951614044747 0 3    4646 0 3      C-13-H3C(O)CH3
  940375.9364  0.1156 -5.9318 3 1426.8596D04  595161404812062 0    802061 0      C-13-H3C(O)CH3
  940375.9364  0.1156 -4.8165 3 1426.8596D04  595161404812062 0    801961 0      C-13-H3C(O)CH3
  940375.9364  0.1156 -5.9318 3 1426.8596D04  595161404811962 0    801961 0      C-13-H3C(O)CH3
  940375.9364  0.1156 -4.8165 3 1426.8596D04  595161404811962 0    802061 0      C-13-H3C(O)CH3
  940377.6524  0.0327 -5.1234 3 1522.5405764  59516140495 492 4    94 391 4      C-13-H3C(O)CH3
  940377.6524  0.0327 -5.1234 3 1522.5405764  59516140495 392 4    94 491 4      C-13-H3C(O)CH3
  940377.6901  0.0327 -5.2757 3 1522.5405764  59516140495 392 3    94 491 3      C-13-H3C(O)CH3
  940377.6901  0.0327 -5.5397 3 1522.5405764  59516140495 392 3    94 391 3      C-13-H3C(O)CH3
  940377.6901  0.0327 -5.5397 3 1522.5405764  59516140495 492 3    94 491 3      C-13-H3C(O)CH3
  940377.6901  0.0327 -5.2757 3 1522.5405764  59516140495 492 3    94 391 3      C-13-H3C(O)CH3
  940393.7057  0.1188 -5.0499 3 1426.8787D04  595161404811962 1    802061 1      C-13-H3C(O)CH3
  940393.7057  0.1188 -5.0499 3 1426.8787D04  595161404812062 1    801961 1      C-13-H3C(O)CH3
  940393.7057  0.1188 -5.1242 3 1426.8787D04  595161404811962 1    801961 1      C-13-H3C(O)CH3
  940393.7057  0.1188 -5.1242 3 1426.8787D04  595161404812062 1    802061 1      C-13-H3C(O)CH3
  940394.3826  0.0432 -4.7860 3 1522.5703F28  59516140495 492 1    94 491 1      C-13-H3C(O)CH3
  940394.3826  0.0432 -4.7860 3 1522.5703F28  59516140495 392 1    94 391 1      C-13-H3C(O)CH3
  940394.3953  0.0457 -4.7903 3 1522.5699F28  59516140495 392 2    94 491 2      C-13-H3C(O)CH3
  940394.3953  0.0457 -4.7903 3 1522.5699F28  59516140495 492 2    94 391 2      C-13-H3C(O)CH3
  940396.4078  0.1212 -5.7877 3 1426.8796D04  595161404811962 2    801961 2      C-13-H3C(O)CH3
  940396.4078  0.1212 -4.8298 3 1426.8796D04  595161404811962 2    802061 2      C-13-H3C(O)CH3
  940396.4078  0.1212 -5.7877 3 1426.8796D04  595161404812062 2    802061 2      C-13-H3C(O)CH3
  940396.4078  0.1212 -4.8298 3 1426.8796D04  595161404812062 2    801961 2      C-13-H3C(O)CH3
  940411.0956  0.0354 -4.8771 3 1522.5996F28  59516140495 392 0    94 491 0      C-13-H3C(O)CH3
  940411.0956  0.0354 -5.5089 3 1522.5996F28  59516140495 392 0    94 391 0      C-13-H3C(O)CH3
  940411.0956  0.0354 -4.8771 3 1522.5996F28  59516140495 492 0    94 391 0      C-13-H3C(O)CH3
  940411.0956  0.0354 -5.5089 3 1522.5996F28  59516140495 492 0    94 491 0      C-13-H3C(O)CH3
  940414.2040  0.0936 -5.2058 3 1426.8986652  595161404812062 3    802061 3      C-13-H3C(O)CH3
  940414.2040  0.0936 -5.2058 3 1426.8986652  595161404811962 3    801961 3      C-13-H3C(O)CH3
  940414.2040  0.0936 -5.7018 3 1426.8986652  595161404811962 3    802061 3      C-13-H3C(O)CH3
  940414.2040  0.0936 -5.7018 3 1426.8986652  595161404812062 3    801961 3      C-13-H3C(O)CH3
  940414.2348  0.0936 -5.2159 3 1426.8987652  595161404811962 4    801961 4      C-13-H3C(O)CH3
  940414.2348  0.0936 -5.6717 3 1426.8987652  595161404811962 4    802061 4      C-13-H3C(O)CH3
  940414.2348  0.0936 -5.6717 3 1426.8987652  595161404812062 4    801961 4      C-13-H3C(O)CH3
  940414.2348  0.0936 -5.2159 3 1426.8987652  595161404812062 4    802061 4      C-13-H3C(O)CH3
  940458.0614  0.0440 -3.7101 3  720.6988380  5951614044747 1 4    4646 1 4      C-13-H3C(O)CH3
  940622.7732  0.1544 -4.3537 3  879.6255920  595161404573523 1    563422 1      C-13-H3C(O)CH3
  940699.9769  0.2298 -4.3535 3  879.6230920  595161404573523 2    563422 2      C-13-H3C(O)CH3
  940764.9109  0.0087 -4.4852 3  367.7336324  595161404401426 4    391327 4      C-13-H3C(O)CH3
  940764.9109  0.0087 -4.4852 3  367.7336324  595161404401526 4    391227 4      C-13-H3C(O)CH3
  940765.2652  0.0086 -4.4853 3  367.7336324  595161404401426 3    391327 3      C-13-H3C(O)CH3
  940765.2652  0.0086 -4.4852 3  367.7336324  595161404401526 3    391227 3      C-13-H3C(O)CH3
  940793.2361  0.0924 -4.8764 3 1288.0786B60  595161404722943 0    712942 0      C-13-H3C(O)CH3
  940793.2361  0.0924 -4.6954 3 1288.0786B60  595161404722943 0    713042 0      C-13-H3C(O)CH3
  940793.2361  0.0924 -5.1596 3 1288.0786B60  595161404723043 0    712942 0      C-13-H3C(O)CH3
  940795.7912  0.0932 -5.6813 3 1288.0972B60  595161404723043 1    712942 1      C-13-H3C(O)CH3
  940795.7912  0.0932 -4.7415 3 1288.0972B60  595161404722943 1    712942 1      C-13-H3C(O)CH3
  940795.7912  0.0932 -4.6944 3 1288.0972B60  595161404722943 1    713042 1      C-13-H3C(O)CH3
  940798.3432  0.0948 -4.6943 3 1288.0993B60  595161404723043 2    713042 2      C-13-H3C(O)CH3
  940798.3432  0.0948 -4.6970 3 1288.0993B60  595161404722943 2    712942 2      C-13-H3C(O)CH3
  940800.9108  0.0823 -5.0802 3 1288.1179580  595161404722943 3    712942 3      C-13-H3C(O)CH3
  940800.9108  0.0823 -5.7462 3 1288.1179580  595161404723043 3    712942 3      C-13-H3C(O)CH3
  940800.9108  0.0823 -5.0372 3 1288.1179580  595161404723043 3    713042 3      C-13-H3C(O)CH3
  940800.9121  0.0823 -4.9956 3 1288.1179580  595161404722943 4    712942 4      C-13-H3C(O)CH3
  940800.9121  0.0823 -4.9998 3 1288.1179580  595161404723043 4    713042 4      C-13-H3C(O)CH3
  940805.4843  0.0082 -4.1844 3  367.7599648  595161404401526 2    391227 2      C-13-H3C(O)CH3
  940805.4843  0.0082 -4.1843 3  367.7599648  595161404401426 2    391327 2      C-13-H3C(O)CH3
  940812.8971  0.0083 -4.1843 3  367.7612648  595161404401526 1    391227 1      C-13-H3C(O)CH3
  940812.8971  0.0083 -4.1843 3  367.7612648  595161404401426 1    391327 1      C-13-H3C(O)CH3
  940853.0766  0.0069 -4.1845 3  367.7875648  595161404401526 0    391227 0      C-13-H3C(O)CH3
  940853.0766  0.0069 -4.1852 3  367.7875648  595161404401426 0    391327 0      C-13-H3C(O)CH3
  941000.9708  0.0073 -4.0814 3  437.4275680  595161404421923 0    411824 0      C-13-H3C(O)CH3
  941001.3274  0.0073 -4.0814 3  437.4275680  595161404422023 0    411724 0      C-13-H3C(O)CH3
  941053.6931  0.0092 -4.0812 3  437.3991680  595161404421923 2    411824 2      C-13-H3C(O)CH3
  941054.0817  0.0092 -4.0812 3  437.3991680  595161404422023 2    411724 2      C-13-H3C(O)CH3
  941065.0781  0.0080 -4.0812 3  437.4011680  595161404421923 1    411824 1      C-13-H3C(O)CH3
  941065.4525  0.0080 -4.0812 3  437.4011680  595161404422023 1    411724 1      C-13-H3C(O)CH3
  941117.9192  0.0102 -4.3819 3  437.3726340  595161404421923 4    411824 4      C-13-H3C(O)CH3
  941117.9483  0.0102 -4.3819 3  437.3727340  595161404421923 3    411824 3      C-13-H3C(O)CH3
  941118.3254  0.0102 -4.3819 3  437.3726340  595161404422023 4    411724 4      C-13-H3C(O)CH3
  941118.3566  0.0102 -4.3819 3  437.3727340  595161404422023 3    411724 3      C-13-H3C(O)CH3
  941121.8944  0.0657 -4.6538 3 1180.5991A80  595161404673433 0    663532 0      C-13-H3C(O)CH3
  941132.0762  0.0658 -4.6538 3 1180.5989A80  595161404673533 0    663432 0      C-13-H3C(O)CH3
  941141.0695  0.0653 -4.6539 3 1180.6130A80  595161404673433 1    663532 1      C-13-H3C(O)CH3
  941142.6005  0.0682 -4.6539 3 1180.6157A80  595161404673433 2    663532 2      C-13-H3C(O)CH3
  941152.4108  0.0729 -5.0079 3 1501.5147E32  595161404891079 0    881178 0      C-13-H3C(O)CH3
  941152.4108  0.0729 -5.2660 3 1501.5147E32  595161404891079 0    881078 0      C-13-H3C(O)CH3
  941152.4108  0.0729 -5.0079 3 1501.5147E32  595161404891179 0    881078 0      C-13-H3C(O)CH3
  941152.4108  0.0729 -5.2660 3 1501.5147E32  595161404891179 0    881178 0      C-13-H3C(O)CH3
  941152.4473  0.0653 -4.6539 3 1180.6128A80  595161404673533 1    663432 1      C-13-H3C(O)CH3
  941153.3298  0.0679 -4.6538 3 1180.6154A80  595161404673533 2    663432 2      C-13-H3C(O)CH3
  941161.7996  0.0643 -4.9550 3 1180.6296540  595161404673433 3    663532 3      C-13-H3C(O)CH3
  941161.8337  0.0643 -4.9550 3 1180.6297540  595161404673433 4    663532 4      C-13-H3C(O)CH3
  941173.7823  0.0638 -4.9550 3 1180.6293540  595161404673533 3    663432 3      C-13-H3C(O)CH3
  941173.7894  0.0638 -4.9550 3 1180.6293540  595161404673533 4    663432 4      C-13-H3C(O)CH3
  941185.7879  0.0803 -4.8810 3 1501.5088E32  595161404891179 2    881078 2      C-13-H3C(O)CH3
  941185.7879  0.0803 -5.6802 3 1501.5088E32  595161404891179 2    881178 2      C-13-H3C(O)CH3
  941185.7879  0.0803 -5.6802 3 1501.5088E32  595161404891079 2    881078 2      C-13-H3C(O)CH3
  941185.7879  0.0803 -4.8810 3 1501.5088E32  595161404891079 2    881178 2      C-13-H3C(O)CH3
  941185.9380  0.0858 -4.8389 3 1501.5090E32  595161404891079 1    881178 1      C-13-H3C(O)CH3
  941185.9380  0.0858 -4.8389 3 1501.5090E32  595161404891179 1    881078 1      C-13-H3C(O)CH3
  941219.3353  0.0736 -5.3794 3 1501.5030716  595161404891179 3    881178 3      C-13-H3C(O)CH3
  941219.3353  0.0736 -5.3794 3 1501.5030716  595161404891079 3    881078 3      C-13-H3C(O)CH3
  941219.3353  0.0736 -5.4626 3 1501.5030716  595161404891079 3    881178 3      C-13-H3C(O)CH3
  941219.3353  0.0736 -5.4626 3 1501.5030716  595161404891179 3    881078 3      C-13-H3C(O)CH3
  941219.3786  0.0736 -5.7815 3 1501.5030716  595161404891079 4    881178 4      C-13-H3C(O)CH3
  941219.3786  0.0736 -5.2242 3 1501.5030716  595161404891079 4    881078 4      C-13-H3C(O)CH3
  941219.3786  0.0736 -5.2242 3 1501.5030716  595161404891179 4    881178 4      C-13-H3C(O)CH3
  941219.3786  0.0736 -5.7815 3 1501.5030716  595161404891179 4    881078 4      C-13-H3C(O)CH3
  941426.4204  0.0977 -4.7606 3 1307.6632B76  595161404732945 0    722944 0      C-13-H3C(O)CH3
  941426.4204  0.0977 -5.6505 3 1307.6632B76  595161404732845 0    722944 0      C-13-H3C(O)CH3
  941426.4204  0.0977 -4.7606 3 1307.6632B76  595161404732845 0    722844 0      C-13-H3C(O)CH3
  941426.4204  0.0977 -5.6505 3 1307.6632B76  595161404732945 0    722844 0      C-13-H3C(O)CH3
  941428.6470  0.0989 -4.7327 3 1307.6823B76  595161404732845 1    722844 1      C-13-H3C(O)CH3
  941428.6470  0.0989 -4.7327 3 1307.6823B76  595161404732945 1    722944 1      C-13-H3C(O)CH3
  941428.6470  0.0989 -5.9645 3 1307.6823B76  595161404732945 1    722844 1      C-13-H3C(O)CH3
  941428.6470  0.0989 -5.9645 3 1307.6823B76  595161404732845 1    722944 1      C-13-H3C(O)CH3
  941431.4507  0.1002 -4.8119 3 1307.6842B76  595161404732945 2    722944 2      C-13-H3C(O)CH3
  941431.4507  0.1002 -5.3798 3 1307.6842B76  595161404732945 2    722844 2      C-13-H3C(O)CH3
  941431.4507  0.1002 -5.3798 3 1307.6842B76  595161404732845 2    722944 2      C-13-H3C(O)CH3
  941431.4507  0.1002 -4.8119 3 1307.6842B76  595161404732845 2    722844 2      C-13-H3C(O)CH3
  941433.6901  0.0855 -5.1226 3 1307.7033588  595161404732845 3    722844 3      C-13-H3C(O)CH3
  941433.6901  0.0855 -5.6470 3 1307.7033588  595161404732845 3    722944 3      C-13-H3C(O)CH3
  941433.6901  0.0855 -5.6470 3 1307.7033588  595161404732945 3    722844 3      C-13-H3C(O)CH3
  941433.6901  0.0855 -5.1226 3 1307.7033588  595161404732945 3    722944 3      C-13-H3C(O)CH3
  941433.6929  0.0855 -5.5774 3 1307.7033588  595161404732845 4    722944 4      C-13-H3C(O)CH3
  941433.6929  0.0855 -5.1458 3 1307.7033588  595161404732945 4    722944 4      C-13-H3C(O)CH3
  941433.6929  0.0855 -5.5774 3 1307.7033588  595161404732945 4    722844 4      C-13-H3C(O)CH3
  941433.6929  0.0855 -5.1458 3 1307.7033588  595161404732845 4    722844 4      C-13-H3C(O)CH3
  941453.4670  0.1141 -5.9302 3 1440.7919D20  595161404821964 0    811963 0      C-13-H3C(O)CH3
  941453.4670  0.1141 -4.8295 3 1440.7919D20  595161404821964 0    811863 0      C-13-H3C(O)CH3
  941453.4670  0.1141 -5.9302 3 1440.7919D20  595161404821864 0    811863 0      C-13-H3C(O)CH3
  941453.4670  0.1141 -4.8295 3 1440.7919D20  595161404821864 0    811963 0      C-13-H3C(O)CH3
  941472.7550  0.1895 -4.6532 3  879.6082460  595161404573523 4    563422 4      C-13-H3C(O)CH3
  941473.8677  0.1165 -4.8161 3 1440.8102D20  595161404821864 1    811963 1      C-13-H3C(O)CH3
  941473.8677  0.1165 -4.8161 3 1440.8102D20  595161404821964 1    811863 1      C-13-H3C(O)CH3
  941476.2958  0.1194 -4.8037 3 1440.8109D20  595161404821864 2    811863 2      C-13-H3C(O)CH3
  941476.2958  0.1194 -4.8037 3 1440.8109D20  595161404821964 2    811963 2      C-13-H3C(O)CH3
  941496.7249  0.0930 -5.1285 3 1440.8292660  595161404821864 3    811863 3      C-13-H3C(O)CH3
  941496.7249  0.0930 -5.1285 3 1440.8292660  595161404821964 3    811963 3      C-13-H3C(O)CH3
  941496.7586  0.0931 -5.6601 3 1440.8292660  595161404821964 4    811963 4      C-13-H3C(O)CH3
  941496.7586  0.0931 -5.2363 3 1440.8292660  595161404821964 4    811863 4      C-13-H3C(O)CH3
  941496.7586  0.0931 -5.2363 3 1440.8292660  595161404821864 4    811963 4      C-13-H3C(O)CH3
  941496.7586  0.0931 -5.6601 3 1440.8292660  595161404821864 4    811863 4      C-13-H3C(O)CH3
  941506.2301  0.0204 -5.5778 3  327.5021276  5951614043428 7 4    3325 8 4      C-13-H3C(O)CH3
  941545.2421  0.2108 -4.6519 3  879.6072460  595161404573523 3    563422 3      C-13-H3C(O)CH3
  941578.7052  0.0189 -5.5748 3  327.5036276  5951614043428 7 3    3325 8 3      C-13-H3C(O)CH3
  941666.1529  0.0228 -5.1049 3 1527.8940772  59516140496 294 4    95 393 4      C-13-H3C(O)CH3
  941666.1529  0.0228 -5.1049 3 1527.8940772  59516140496 394 4    95 293 4      C-13-H3C(O)CH3
  941666.1658  0.0228 -5.0863 3 1527.8939772  59516140496 394 3    95 393 3      C-13-H3C(O)CH3
  941666.1658  0.0228 -5.0863 3 1527.8939772  59516140496 294 3    95 293 3      C-13-H3C(O)CH3
  941688.6853  0.0291 -4.8783 3 1527.9096F44 -59516140496 394 2    95 393 2      C-13-H3C(O)CH3
  941688.6853  0.0232 -4.8020 3 1527.9101F44 -59516140496 394 1    95 393 1      C-13-H3C(O)CH3
  941688.6853  0.0291 -5.5003 3 1527.9096F44 -59516140496 394 2    95 293 2      C-13-H3C(O)CH3
  941688.6853  0.0232 -4.8020 3 1527.9101F44 -59516140496 294 1    95 293 1      C-13-H3C(O)CH3
  941688.6853  0.0291 -4.8783 3 1527.9096F44 -59516140496 294 2    95 293 2      C-13-H3C(O)CH3
  941688.6853  0.0291 -5.5003 3 1527.9096F44 -59516140496 294 2    95 393 2      C-13-H3C(O)CH3
  941711.3746  0.0209 -4.8653 3 1527.9257F44  59516140496 294 0    95 293 0      C-13-H3C(O)CH3
  941711.3746  0.0209 -5.5598 3 1527.9257F44  59516140496 394 0    95 293 0      C-13-H3C(O)CH3
  941711.4753  0.0209 -5.5598 3 1527.9257F44 -59516140496 294 0    95 393 0      C-13-H3C(O)CH3
  941711.4753  0.0209 -4.8653 3 1527.9257F44 -59516140496 394 0    95 393 0      C-13-H3C(O)CH3
  941733.8581  0.0172 -5.2772 3  327.5250552  5951614043428 7 1    3325 8 1      C-13-H3C(O)CH3
  941936.5131  0.0166 -5.2800 3  327.5368552  5951614043428 7 2    3325 9 2      C-13-H3C(O)CH3
  941941.0048  0.0413 -5.9906 3  791.8165436  595161404543420 4    533320 4      C-13-H3C(O)CH3
  941977.3505  0.0112 -3.4565 3  724.4695776 -5951614044845 3 0    4744 4 0      C-13-H3C(O)CH3
  941977.3505  0.0112 -3.4565 3  724.4695776 -5951614044845 4 0    4744 3 0      C-13-H3C(O)CH3
  941994.2967  0.0193 -5.5771 3  327.4978276  5951614043428 6 3    3325 9 3      C-13-H3C(O)CH3
  942005.2106  0.0172 -5.2770 3  327.5383552  5951614043428 6 2    3325 8 2      C-13-H3C(O)CH3
  942024.3132  0.1611 -4.9243 3  770.1741428  595161404533519 4    523418 4      C-13-H3C(O)CH3
  942033.0967  0.0121 -3.4565 3  724.5201776 -5951614044845 3 1    4744 3 1      C-13-H3C(O)CH3
  942055.7194  0.0126 -3.4565 3  724.4953776 -5951614044845 3 2    4744 3 2      C-13-H3C(O)CH3
  942064.0088  0.0217 -5.5743 3  327.4993276  5951614043428 6 4    3325 9 4      C-13-H3C(O)CH3
  942111.7359  0.0175 -3.7575 3  724.5457388  5951614044845 3 4    4744 3 4      C-13-H3C(O)CH3
  942114.5351  0.0131 -3.4564 3  724.4558776 -5951614044845 4 2    4744 4 2      C-13-H3C(O)CH3
  942158.7279  0.1028 -4.9735 3 1326.6564B92  595161404742747 0    732746 0      C-13-H3C(O)CH3
  942158.7279  0.1028 -4.9735 3 1326.6564B92  595161404742847 0    732846 0      C-13-H3C(O)CH3
  942158.7279  0.1028 -5.0792 3 1326.6564B92  595161404742747 0    732846 0      C-13-H3C(O)CH3
  942158.7279  0.1028 -5.0792 3 1326.6564B92  595161404742847 0    732746 0      C-13-H3C(O)CH3
  942161.1091  0.1045 -5.5534 3 1326.6758B92  595161404742847 1    732846 1      C-13-H3C(O)CH3
  942161.1091  0.1045 -4.7915 3 1326.6758B92  595161404742847 1    732746 1      C-13-H3C(O)CH3
  942161.1091  0.1045 -5.5534 3 1326.6758B92  595161404742747 1    732746 1      C-13-H3C(O)CH3
  942161.1091  0.1045 -4.7915 3 1326.6758B92  595161404742747 1    732846 1      C-13-H3C(O)CH3
  942163.7170  0.0171 -5.2798 3  327.5595552  5951614043428 7 0    3325 8 0      C-13-H3C(O)CH3
  942164.1335  0.1055 -4.7443 3 1326.6777B92  595161404742747 2    732746 2      C-13-H3C(O)CH3
  942164.1335  0.1055 -4.7443 3 1326.6777B92  595161404742847 2    732846 2      C-13-H3C(O)CH3
  942166.5282  0.0885 -5.4492 3 1326.6972596  595161404742847 3    732846 3      C-13-H3C(O)CH3
  942166.5282  0.0885 -5.3373 3 1326.6972596  595161404742747 3    732846 3      C-13-H3C(O)CH3
  942166.5282  0.0885 -5.3116 3 1326.6972596  595161404742747 3    732746 3      C-13-H3C(O)CH3
  942166.5282  0.0885 -5.2274 3 1326.6972596  595161404742847 3    732746 3      C-13-H3C(O)CH3
  942166.5329  0.0885 -5.0401 3 1326.6972596  595161404742747 4    732846 4      C-13-H3C(O)CH3
  942166.5329  0.0885 -5.0401 3 1326.6972596  595161404742847 4    732746 4      C-13-H3C(O)CH3
  942166.5445  0.0171 -5.2798 3  327.5594552  5951614043428 6 0    3325 9 0      C-13-H3C(O)CH3
  942170.0841  0.0183 -3.7574 3  724.5063388  5951614044845 3 3    4744 3 3      C-13-H3C(O)CH3
  942177.0770  0.0125 -3.4563 3  724.4739776 -5951614044845 4 1    4744 4 1      C-13-H3C(O)CH3
  942218.2210  0.0176 -5.2765 3  327.5206552  5951614043428 6 1    3325 9 1      C-13-H3C(O)CH3
  942226.6130  0.0621 -5.9560 3  496.9588348  595161404432815 4    422517 4      C-13-H3C(O)CH3
  942255.0490  0.0184 -3.7573 3  724.4996388  5951614044845 4 3    4744 4 3      C-13-H3C(O)CH3
  942313.5314  0.0201 -3.7572 3  724.4602388  5951614044845 4 4    4744 4 4      C-13-H3C(O)CH3
  942360.7859  0.0738 -4.9351 3 1510.5941E48  595161404901081 0    891080 0      C-13-H3C(O)CH3
  942360.7859  0.0738 -4.9351 3 1510.5941E48  59516140490 981 0    89 980 0      C-13-H3C(O)CH3
  942360.7859  0.0738 -5.4636 3 1510.5941E48  595161404901081 0    89 980 0      C-13-H3C(O)CH3
  942360.7859  0.0738 -5.4636 3 1510.5941E48  59516140490 981 0    891080 0      C-13-H3C(O)CH3
  942391.6741  0.0877 -5.0195 3 1510.5825E48  595161404901081 2    891080 2      C-13-H3C(O)CH3
  942391.6741  0.0877 -5.2604 3 1510.5825E48  595161404901081 2    89 980 2      C-13-H3C(O)CH3
  942391.6741  0.0877 -5.2604 3 1510.5825E48  59516140490 981 2    891080 2      C-13-H3C(O)CH3
  942391.6741  0.0877 -5.0195 3 1510.5825E48  59516140490 981 2    89 980 2      C-13-H3C(O)CH3
  942391.8912  0.0942 -5.2759 3 1510.5827E48  595161404901081 1    891080 1      C-13-H3C(O)CH3
  942391.8912  0.0942 -5.2759 3 1510.5827E48  59516140490 981 1    89 980 1      C-13-H3C(O)CH3
  942391.8912  0.0942 -5.0108 3 1510.5827E48  59516140490 981 1    891080 1      C-13-H3C(O)CH3
  942391.8912  0.0942 -5.0108 3 1510.5827E48  595161404901081 1    89 980 1      C-13-H3C(O)CH3
  942422.7944  0.0720 -5.2064 3 1510.5711724  59516140490 981 3    891080 3      C-13-H3C(O)CH3
  942422.7944  0.0720 -5.1255 3 1510.5711724  595161404901081 3    89 980 3      C-13-H3C(O)CH3
  942422.7944  0.0720 -5.8832 3 1510.5711724  595161404901081 3    891080 3      C-13-H3C(O)CH3
  942422.8320  0.0720 -5.1657 3 1510.5711724  595161404901081 4    891080 4      C-13-H3C(O)CH3
  942422.8320  0.0720 -5.1657 3 1510.5711724  59516140490 981 4    89 980 4      C-13-H3C(O)CH3
  942548.5511  0.1113 -4.8471 3 1454.1827D36  595161404831866 0    821765 0      C-13-H3C(O)CH3
  942548.5511  0.1113 -5.8688 3 1454.1827D36  595161404831866 0    821865 0      C-13-H3C(O)CH3
  942548.5511  0.1113 -5.8688 3 1454.1827D36  595161404831766 0    821765 0      C-13-H3C(O)CH3
  942548.5511  0.1113 -4.8471 3 1454.1827D36  595161404831766 0    821865 0      C-13-H3C(O)CH3
  942571.6700  0.1127 -4.8544 3 1454.1999D36  595161404831766 1    821865 1      C-13-H3C(O)CH3
  942571.6700  0.1127 -5.7988 3 1454.1999D36  595161404831766 1    821765 1      C-13-H3C(O)CH3
  942571.6700  0.1127 -5.7988 3 1454.1999D36  595161404831866 1    821865 1      C-13-H3C(O)CH3
  942571.6700  0.1127 -4.8544 3 1454.1999D36  595161404831866 1    821765 1      C-13-H3C(O)CH3
  942573.7766  0.1159 -5.8093 3 1454.2005D36  595161404831866 2    821765 2      C-13-H3C(O)CH3
  942573.7766  0.1159 -4.8533 3 1454.2005D36  595161404831766 2    821765 2      C-13-H3C(O)CH3
  942573.7766  0.1159 -5.8093 3 1454.2005D36  595161404831766 2    821865 2      C-13-H3C(O)CH3
  942573.7766  0.1159 -4.8533 3 1454.2005D36  595161404831866 2    821865 2      C-13-H3C(O)CH3
  942596.9253  0.0920 -5.1372 3 1454.2177668  595161404831766 3    821865 3      C-13-H3C(O)CH3
  942596.9253  0.0920 -5.1372 3 1454.2177668  595161404831866 3    821765 3      C-13-H3C(O)CH3
  942596.9619  0.0920 -5.3104 3 1454.2177668  595161404831766 4    821765 4      C-13-H3C(O)CH3
  942596.9619  0.0920 -5.5388 3 1454.2177668  595161404831766 4    821865 4      C-13-H3C(O)CH3
  942596.9619  0.0920 -5.3104 3 1454.2177668  595161404831866 4    821865 4      C-13-H3C(O)CH3
  942596.9619  0.0920 -5.5388 3 1454.2177668  595161404831866 4    821765 4      C-13-H3C(O)CH3
  942781.1267  0.1040 -4.2803 3  770.1421856  595161404533519 2    523418 2      C-13-H3C(O)CH3
  942946.5978  0.0605 -4.6622 3 1156.9054A64  595161404663531 0    653630 0      C-13-H3C(O)CH3
  942963.0904  0.0685 -4.1784 3  770.1338856  595161404533519 1    523418 1      C-13-H3C(O)CH3
  942967.4271  0.1076 -4.7396 3 1345.0687C08  595161404752749 0    742748 0      C-13-H3C(O)CH3
  942967.4271  0.1076 -4.7373 3 1345.0687C08  595161404752649 0    742648 0      C-13-H3C(O)CH3
  942969.9595  0.0606 -4.6624 3 1156.9171A64  595161404663531 1    653630 1      C-13-H3C(O)CH3
  942970.3787  0.1098 -4.7501 3 1345.0884C08  595161404752749 1    742748 1      C-13-H3C(O)CH3
  942970.3787  0.1098 -4.7501 3 1345.0884C08  595161404752649 1    742648 1      C-13-H3C(O)CH3
  942973.5848  0.1107 -5.6409 3 1345.0902C08  595161404752749 2    742748 2      C-13-H3C(O)CH3
  942973.5848  0.1107 -4.7945 3 1345.0902C08  595161404752749 2    742648 2      C-13-H3C(O)CH3
  942973.5848  0.1107 -4.9268 3 1345.0902C08  595161404752649 2    742748 2      C-13-H3C(O)CH3
  942973.5848  0.1107 -5.1870 3 1345.0902C08  595161404752649 2    742648 2      C-13-H3C(O)CH3
  942974.4870  0.0211 -5.1107 3 1532.7339780  59516140497 196 3    96 295 3      C-13-H3C(O)CH3
  942974.4870  0.0211 -5.1107 3 1532.7339780  59516140497 296 3    96 195 3      C-13-H3C(O)CH3
  942974.5119  0.0211 -5.1986 3 1532.7339780  59516140497 296 4    96 295 4      C-13-H3C(O)CH3
  942974.5119  0.0211 -5.7227 3 1532.7339780  59516140497 196 4    96 295 4      C-13-H3C(O)CH3
  942974.5119  0.0211 -5.1986 3 1532.7339780  59516140497 196 4    96 195 4      C-13-H3C(O)CH3
  942974.5119  0.0211 -5.7227 3 1532.7339780  59516140497 296 4    96 195 4      C-13-H3C(O)CH3
  942975.3237  0.0647 -4.6623 3 1156.9199A64  595161404663531 2    653630 2      C-13-H3C(O)CH3
  942976.5509  0.0912 -5.0405 3 1345.1100604  595161404752649 3    742748 3      C-13-H3C(O)CH3
  942976.5509  0.0912 -5.0405 3 1345.1100604  595161404752749 3    742648 3      C-13-H3C(O)CH3
  942976.5580  0.0912 -5.1408 3 1345.1100604  595161404752749 4    742748 4      C-13-H3C(O)CH3
  942976.5580  0.0912 -5.7128 3 1345.1100604  595161404752649 4    742748 4      C-13-H3C(O)CH3
  942976.5580  0.0912 -5.1408 3 1345.1100604  595161404752649 4    742648 4      C-13-H3C(O)CH3
  942976.5580  0.0912 -5.7128 3 1345.1100604  595161404752749 4    742648 4      C-13-H3C(O)CH3
  942994.6328  0.0309 -5.2569 3 1532.7218F60  59516140497 296 2    96 195 2      C-13-H3C(O)CH3
  942994.6328  0.0309 -4.9620 3 1532.7218F60  59516140497 196 2    96 195 2      C-13-H3C(O)CH3
  942994.6328  0.0309 -5.2569 3 1532.7218F60  59516140497 196 2    96 295 2      C-13-H3C(O)CH3
  942994.6328  0.0309 -4.9620 3 1532.7218F60  59516140497 296 2    96 295 2      C-13-H3C(O)CH3
  942994.9094  0.0234 -4.7948 3 1532.7223F60  59516140497 196 1    96 295 1      C-13-H3C(O)CH3
  942994.9094  0.0234 -4.7948 3 1532.7223F60  59516140497 296 1    96 195 1      C-13-H3C(O)CH3
  942998.4040  0.0627 -4.9635 3 1156.9316532  595161404663531 3    653630 3      C-13-H3C(O)CH3
  942998.6385  0.0625 -4.9635 3 1156.9316532  595161404663531 4    653630 4      C-13-H3C(O)CH3
  943015.0063  0.0196 -5.8930 3 1532.7102F60  59516140497 296 0    96 295 0      C-13-H3C(O)CH3
  943015.0063  0.0196 -4.8190 3 1532.7102F60  59516140497 296 0    96 195 0      C-13-H3C(O)CH3
  943015.0063  0.0196 -5.8930 3 1532.7102F60  59516140497 196 0    96 195 0      C-13-H3C(O)CH3
  943015.0063  0.0196 -4.8190 3 1532.7102F60  59516140497 196 0    96 295 0      C-13-H3C(O)CH3
  943021.2259  0.2810 -4.5348 3  972.3434968  595161404603625 0    593524 0      C-13-H3C(O)CH3
  943163.0101  0.0262 -3.9976 3  764.8229856  595161404533419 0    523320 0      C-13-H3C(O)CH3
  943213.9209  0.0168 -3.9202 3  770.1108856 -595161404533519 0    523418 0      C-13-H3C(O)CH3
  943225.4310  0.0626 -4.6619 3 1156.8983A64  595161404663631 0    653530 0      C-13-H3C(O)CH3
  943266.1756  0.0604 -4.6620 3 1156.9125A64  595161404663631 2    653530 2      C-13-H3C(O)CH3
  943270.0395  0.0602 -4.6620 3 1156.9094A64  595161404663631 1    653530 1      C-13-H3C(O)CH3
  943311.1930  0.0553 -4.9632 3 1156.9237532  595161404663631 4    653530 4      C-13-H3C(O)CH3
  943311.3139  0.0552 -4.9632 3 1156.9236532  595161404663631 3    653530 3      C-13-H3C(O)CH3
  943333.8637  0.0266 -4.2967 3  764.8464428  595161404533419 3    523320 3      C-13-H3C(O)CH3
  943356.1156  0.0340 -4.0103 3  764.8322856  595161404533419 1    523320 1      C-13-H3C(O)CH3
  943423.8553  0.0369 -4.0178 3  764.8335856  595161404533419 2    523320 2      C-13-H3C(O)CH3
  943528.5698  0.0096 -5.8843 3  328.5859316  595161404391228 4    381029 4      C-13-H3C(O)CH3
  943528.5698  0.0096 -4.9634 3  328.5859316  595161404391128 4    381029 4      C-13-H3C(O)CH3
  943528.5698  0.0096 -4.6391 3  328.5859316  595161404391228 4    38 929 4      C-13-H3C(O)CH3
  943528.5698  0.0096 -5.5466 3  328.5859316  595161404391128 4    38 929 4      C-13-H3C(O)CH3
  943529.1097  0.0091 -4.6438 3  328.5859316  595161404391228 3    381029 3      C-13-H3C(O)CH3
  943529.1097  0.0091 -5.7098 3  328.5859316  595161404391228 3    38 929 3      C-13-H3C(O)CH3
  943529.1097  0.0091 -5.7098 3  328.5859316  595161404391128 3    381029 3      C-13-H3C(O)CH3
  943529.1097  0.0091 -4.6438 3  328.5859316  595161404391128 3    38 929 3      C-13-H3C(O)CH3
  943571.7349  0.0419 -4.2472 3  770.1507428  595161404533519 3    523418 3      C-13-H3C(O)CH3
  943583.9469  0.0758 -4.8273 3 1519.1446E64  59516140491 883 0    90 982 0      C-13-H3C(O)CH3
  943583.9469  0.0758 -4.8987 3 1519.1446E64  59516140491 983 0    90 882 0      C-13-H3C(O)CH3
  943583.9469  0.0758 -5.6457 3 1519.1446E64  59516140491 983 0    90 982 0      C-13-H3C(O)CH3
  943610.7470  0.0958 -5.0126 3 1519.1270E64  59516140491 883 2    90 982 2      C-13-H3C(O)CH3
  943610.7470  0.0958 -5.2860 3 1519.1270E64  59516140491 983 2    90 982 2      C-13-H3C(O)CH3
  943610.7470  0.0958 -5.2860 3 1519.1270E64  59516140491 883 2    90 882 2      C-13-H3C(O)CH3
  943610.7470  0.0958 -5.0126 3 1519.1270E64  59516140491 983 2    90 882 2      C-13-H3C(O)CH3
  943610.9456  0.1023 -5.0340 3 1519.1272E64  59516140491 883 1    90 882 1      C-13-H3C(O)CH3
  943610.9456  0.1023 -5.0340 3 1519.1272E64  59516140491 983 1    90 982 1      C-13-H3C(O)CH3
  943610.9456  0.1023 -5.2484 3 1519.1272E64  59516140491 983 1    90 882 1      C-13-H3C(O)CH3
  943610.9456  0.1023 -5.2484 3 1519.1272E64  59516140491 883 1    90 982 1      C-13-H3C(O)CH3
  943637.7558  0.0701 -5.1412 3 1519.1095732  59516140491 983 3    90 882 3      C-13-H3C(O)CH3
  943637.7558  0.0701 -5.1412 3 1519.1095732  59516140491 883 3    90 982 3      C-13-H3C(O)CH3
  943637.7842  0.0702 -5.1572 3 1519.1094732  59516140491 883 4    90 882 4      C-13-H3C(O)CH3
  943637.7842  0.0702 -5.1572 3 1519.1094732  59516140491 983 4    90 982 4      C-13-H3C(O)CH3
  943655.7763  0.0221 -5.7569 3  301.4874520  5951614043229 4 2    3126 5 2      C-13-H3C(O)CH3
  943659.8329  0.1073 -4.8192 3 1467.0340D52  595161404841768 0    831667 0      C-13-H3C(O)CH3
  943659.8329  0.1073 -4.8192 3 1467.0340D52  595161404841668 0    831767 0      C-13-H3C(O)CH3
  943685.6721  0.1073 -4.8983 3 1467.0498D52  595161404841768 1    831667 1      C-13-H3C(O)CH3
  943685.6721  0.1073 -5.5932 3 1467.0498D52  595161404841768 1    831767 1      C-13-H3C(O)CH3
  943685.6721  0.1073 -4.8983 3 1467.0498D52  595161404841668 1    831767 1      C-13-H3C(O)CH3
  943685.6721  0.1073 -5.5932 3 1467.0498D52  595161404841668 1    831667 1      C-13-H3C(O)CH3
  943687.4210  0.1108 -4.9748 3 1467.0502D52  595161404841768 2    831667 2      C-13-H3C(O)CH3
  943687.4210  0.1108 -5.3378 3 1467.0502D52  595161404841768 2    831767 2      C-13-H3C(O)CH3
  943687.4210  0.1108 -4.9748 3 1467.0502D52  595161404841668 2    831767 2      C-13-H3C(O)CH3
  943687.4210  0.1108 -5.3378 3 1467.0502D52  595161404841668 2    831667 2      C-13-H3C(O)CH3
  943689.5945  0.0090 -4.4230 3  328.6057632  595161404391128 2    381029 2      C-13-H3C(O)CH3
  943689.5945  0.0090 -4.9365 3  328.6057632  595161404391128 2    38 929 2      C-13-H3C(O)CH3
  943689.5945  0.0090 -4.9365 3  328.6057632  595161404391228 2    381029 2      C-13-H3C(O)CH3
  943689.5945  0.0090 -4.4230 3  328.6057632  595161404391228 2    38 929 2      C-13-H3C(O)CH3
  943691.1109  0.0235 -5.7547 3  301.4692520  5951614043229 4 1    3126 5 1      C-13-H3C(O)CH3
  943695.8152  0.0091 -4.3071 3  328.6066632  595161404391128 1    381029 1      C-13-H3C(O)CH3
  943695.8152  0.0091 -4.3071 3  328.6066632  595161404391228 1    38 929 1      C-13-H3C(O)CH3
  943713.2911  0.0906 -5.6451 3 1467.0660676  595161404841668 3    831767 3      C-13-H3C(O)CH3
  943713.2911  0.0906 -5.2732 3 1467.0660676  595161404841668 3    831667 3      C-13-H3C(O)CH3
  943713.2911  0.0906 -5.6451 3 1467.0660676  595161404841768 3    831667 3      C-13-H3C(O)CH3
  943713.2911  0.0906 -5.2732 3 1467.0660676  595161404841768 3    831767 3      C-13-H3C(O)CH3
  943713.3303  0.0906 -5.1451 3 1467.0660676  595161404841668 4    831767 4      C-13-H3C(O)CH3
  943713.3303  0.0906 -5.1451 3 1467.0660676  595161404841768 4    831667 4      C-13-H3C(O)CH3
  943831.3438  0.0076 -3.5116 3  729.8182792  5951614044943 6 0    4842 7 0      C-13-H3C(O)CH3
  943831.3438  0.0076 -3.5116 3  729.8182792  5951614044943 7 0    4842 6 0      C-13-H3C(O)CH3
  943836.2738  0.1120 -4.9270 3 1362.9083C24  595161404762551 0    752650 0      C-13-H3C(O)CH3
  943836.2738  0.1120 -5.2289 3 1362.9083C24  595161404762551 0    752550 0      C-13-H3C(O)CH3
  943836.2738  0.1120 -5.2289 3 1362.9083C24  595161404762651 0    752650 0      C-13-H3C(O)CH3
  943836.2738  0.1120 -4.9270 3 1362.9083C24  595161404762651 0    752550 0      C-13-H3C(O)CH3
  943840.1671  0.1148 -5.5415 3 1362.9283C24  595161404762551 1    752550 1      C-13-H3C(O)CH3
  943840.1671  0.1148 -5.6849 3 1362.9283C24  595161404762651 1    752550 1      C-13-H3C(O)CH3
  943840.1671  0.1148 -4.8051 3 1362.9283C24  595161404762651 1    752650 1      C-13-H3C(O)CH3
  943840.1671  0.1148 -4.8281 3 1362.9283C24  595161404762551 1    752650 1      C-13-H3C(O)CH3
  943843.5089  0.1156 -5.7730 3 1362.9301C24  595161404762651 2    752650 2      C-13-H3C(O)CH3
  943843.5089  0.1156 -4.7947 3 1362.9301C24  595161404762651 2    752550 2      C-13-H3C(O)CH3
  943843.5089  0.1156 -4.7947 3 1362.9301C24  595161404762551 2    752650 2      C-13-H3C(O)CH3
  943843.5089  0.1156 -5.7730 3 1362.9301C24  595161404762551 2    752550 2      C-13-H3C(O)CH3
  943847.4180  0.0936 -5.2258 3 1362.9501612  595161404762551 3    752650 3      C-13-H3C(O)CH3
  943847.4180  0.0936 -5.5348 3 1362.9501612  595161404762551 3    752550 3      C-13-H3C(O)CH3
  943847.4180  0.0936 -5.5348 3 1362.9501612  595161404762651 3    752650 3      C-13-H3C(O)CH3
  943847.4180  0.0936 -5.2258 3 1362.9501612  595161404762651 3    752550 3      C-13-H3C(O)CH3
  943847.4277  0.0936 -5.0574 3 1362.9501612  595161404762551 4    752550 4      C-13-H3C(O)CH3
  943847.4277  0.0936 -5.0574 3 1362.9501612  595161404762651 4    752650 4      C-13-H3C(O)CH3
  943851.8096  0.0095 -3.5116 3  729.8353792 -5951614044943 6 2    4842 6 2      C-13-H3C(O)CH3
  943856.0476  0.0081 -4.3516 3  328.6264632  595161404391228 0    38 929 0      C-13-H3C(O)CH3
  943856.0476  0.0081 -5.3155 3  328.6264632  595161404391128 0    38 929 0      C-13-H3C(O)CH3
  943856.0476  0.0081 -4.3516 3  328.6264632  595161404391128 0    381029 0      C-13-H3C(O)CH3
  943856.0476  0.0081 -5.3155 3  328.6264632  595161404391228 0    381029 0      C-13-H3C(O)CH3
  943880.9023  0.0086 -3.5116 3  729.8518792 -5951614044943 6 1    4842 6 1      C-13-H3C(O)CH3
  943885.5695  0.3505 -4.5340 3  972.3252968  595161404603625 2    593524 2      C-13-H3C(O)CH3
  943893.6760  0.0828 -4.3636 3  764.8394428  595161404533419 4    523320 4      C-13-H3C(O)CH3
  943901.1409  0.0136 -3.8126 3  729.8688396  5951614044943 6 4    4842 6 4      C-13-H3C(O)CH3
  943918.6427  0.2461 -4.5339 3  972.3235968  595161404603625 1    593524 1      C-13-H3C(O)CH3
  943919.6310  0.0089 -3.5116 3  729.8182792 -5951614044943 7 2    4842 7 2      C-13-H3C(O)CH3
  943949.2099  0.0242 -5.3555 3  392.1388308  595161404382712 4    372414 4      C-13-H3C(O)CH3
  943968.7142  0.0129 -3.8126 3  729.8519396  5951614044943 6 3    4842 6 3      C-13-H3C(O)CH3
  943969.1784  0.0131 -4.0885 3  531.8324728  595161404452620 0    442321 0      C-13-H3C(O)CH3
  943985.3676  0.0085 -3.5115 3  729.8174792 -5951614044943 7 1    4842 7 1      C-13-H3C(O)CH3
  943997.8934  0.0179 -5.1423 3  392.1593616  595161404382712 1    372414 1      C-13-H3C(O)CH3
  944005.0872  0.0133 -3.8125 3  729.8344396  5951614044943 7 3    4842 7 3      C-13-H3C(O)CH3
  944017.8567  0.0229 -5.7538 3  301.4778520  5951614043229 3 2    3126 6 2      C-13-H3C(O)CH3
  944053.4681  0.0169 -4.0884 3  531.8095728  595161404452620 2    442321 2      C-13-H3C(O)CH3
  944063.6150  0.0136 -4.0883 3  531.8134728  595161404452620 1    442321 1      C-13-H3C(O)CH3
  944073.2964  0.0132 -3.8125 3  729.8174396  5951614044943 7 4    4842 7 4      C-13-H3C(O)CH3
  944147.0750  0.0179 -4.3892 3  531.7904364  595161404452620 4    442321 4      C-13-H3C(O)CH3
  944150.2552  0.0177 -4.3892 3  531.7905364  595161404452620 3    442321 3      C-13-H3C(O)CH3
  944179.0253  0.0215 -5.0782 3  392.1602616  595161404382712 2    372414 2      C-13-H3C(O)CH3
  944180.6351  0.0230 -5.7585 3  301.5185520  5951614043229 4 0    3126 5 0      C-13-H3C(O)CH3
  944180.6381  0.0230 -5.7585 3  301.5185520  5951614043229 3 0    3126 6 0      C-13-H3C(O)CH3
  944219.1138  0.0083 -4.0691 3  468.8159696  595161404432122 0    422023 0      C-13-H3C(O)CH3
  944231.6223  0.0083 -4.0691 3  468.8159696  595161404432222 0    421923 0      C-13-H3C(O)CH3
  944270.6667  0.0154 -4.7998 3  392.1799616  595161404382711 0    372414 0      C-13-H3C(O)CH3
  944283.2512  0.0113 -4.0689 3  468.7892696  595161404432122 2    422023 2      C-13-H3C(O)CH3
  944296.6010  0.0112 -4.0689 3  468.7892696  595161404432222 2    421923 2      C-13-H3C(O)CH3
  944298.8554  0.0087 -4.0688 3  468.7917696  595161404432122 1    422023 1      C-13-H3C(O)CH3
  944308.1504  0.0355 -5.0878 3 1537.0663788  59516140498 098 4    97 197 4      C-13-H3C(O)CH3
  944308.1504  0.0355 -5.0878 3 1537.0663788  59516140498 198 4    97 097 4      C-13-H3C(O)CH3
  944308.1746  0.0355 -5.2378 3 1537.0663788  59516140498 198 3    97 097 3      C-13-H3C(O)CH3
  944308.1746  0.0355 -5.6050 3 1537.0663788  59516140498 198 3    97 197 3      C-13-H3C(O)CH3
  944308.1746  0.0355 -5.2378 3 1537.0663788  59516140498 098 3    97 197 3      C-13-H3C(O)CH3
  944308.1746  0.0355 -5.6050 3 1537.0663788  59516140498 098 3    97 097 3      C-13-H3C(O)CH3
  944310.1960  0.0357 -4.8643 3 1537.0052F76  59516140498 098 1    97 097 1      C-13-H3C(O)CH3
  944310.1960  0.0357 -5.5420 3 1537.0052F76  59516140498 098 1    97 197 1      C-13-H3C(O)CH3
  944310.1960  0.0357 -4.8643 3 1537.0052F76  59516140498 198 1    97 197 1      C-13-H3C(O)CH3
  944310.1960  0.0357 -5.5420 3 1537.0052F76  59516140498 198 1    97 097 1      C-13-H3C(O)CH3
  944310.4015  0.0522 -5.2958 3 1537.0052F76  59516140498 098 2    97 197 2      C-13-H3C(O)CH3
  944310.4015  0.0522 -4.9401 3 1537.0052F76  59516140498 098 2    97 097 2      C-13-H3C(O)CH3
  944310.4015  0.0522 -4.9401 3 1537.0052F76  59516140498 198 2    97 197 2      C-13-H3C(O)CH3
  944310.4015  0.0522 -5.2958 3 1537.0052F76  59516140498 198 2    97 097 2      C-13-H3C(O)CH3
  944311.8207  0.0087 -4.0688 3  468.7917696  595161404432222 1    421923 1      C-13-H3C(O)CH3
  944312.4021  0.0356 -5.5222 3 1536.9442F76  59516140498 098 0    97 097 0      C-13-H3C(O)CH3
  944312.4021  0.0356 -4.8684 3 1536.9442F76  59516140498 098 0    97 197 0      C-13-H3C(O)CH3
  944312.4021  0.0356 -5.5222 3 1536.9442F76  59516140498 198 0    97 197 0      C-13-H3C(O)CH3
  944312.4022  0.0356 -4.8684 3 1536.9442F76  59516140498 198 0    97 097 0      C-13-H3C(O)CH3
  944332.0667  0.0264 -5.4279 3  392.1399308  595161404382712 3    372414 3      C-13-H3C(O)CH3
  944355.4313  0.0220 -4.2673 3  770.1338856 -595161404533518 1    523418 1      C-13-H3C(O)CH3
  944363.1646  0.0123 -4.3696 3  468.7650348  595161404432122 3    422023 3      C-13-H3C(O)CH3
  944363.2681  0.0123 -4.3696 3  468.7650348  595161404432122 4    422023 4      C-13-H3C(O)CH3
  944377.0071  0.0122 -4.3696 3  468.7650348  595161404432222 3    421923 3      C-13-H3C(O)CH3
  944377.0651  0.0123 -4.3696 3  468.7650348  595161404432222 4    421923 4      C-13-H3C(O)CH3
  944401.0367  0.0264 -4.1676 3  770.1421856 -595161404533518 2    523418 2      C-13-H3C(O)CH3
  944410.5302  0.0230 -5.7546 3  301.4669520  5951614043229 3 1    3126 6 1      C-13-H3C(O)CH3
  944417.2533  0.0206 -5.0602 3  392.1593616  595161404382711 1    372414 1      C-13-H3C(O)CH3
  944472.1761  0.0213 -5.4322 3  770.1507428  595161404533518 3    523418 3      C-13-H3C(O)CH3
  944539.3564  0.1085 -4.9954 3 1132.3018524  595161404653629 3    643728 3      C-13-H3C(O)CH3
  944541.2801  0.1056 -4.9954 3 1132.3018524  595161404653629 4    643728 4      C-13-H3C(O)CH3
  944559.9496  0.0942 -4.6939 3 1132.2897A48  595161404653629 1    643728 1      C-13-H3C(O)CH3
  944601.3878  0.1173 -4.6937 3 1132.2922A48  595161404653629 2    643728 2      C-13-H3C(O)CH3
  944617.7683  0.0282 -4.3154 3  770.1741428  595161404533518 4    523418 4      C-13-H3C(O)CH3
  944618.7184  0.0944 -4.6933 3 1132.2801A48  595161404653629 0    643728 0      C-13-H3C(O)CH3
  944693.7945  0.0318 -5.3746 3  392.1399308  595161404382711 3    372414 3      C-13-H3C(O)CH3
  944697.9388  1.5351 -5.8524 3 1333.8531564  595161404704228 3    694327 3      C-13-H3C(O)CH3
  944711.9589  1.4765 -5.8529 3 1333.8527564  595161404704228 4    694327 4      C-13-H3C(O)CH3
  944753.4192  0.1159 -4.7767 3 1380.1820C40  595161404772553 0    762452 0      C-13-H3C(O)CH3
  944753.4192  0.1159 -4.7767 3 1380.1820C40  595161404772453 0    762552 0      C-13-H3C(O)CH3
  944758.5943  0.1192 -4.8660 3 1380.2022C40  595161404772453 1    762452 1      C-13-H3C(O)CH3
  944758.5943  0.1192 -5.4520 3 1380.2022C40  595161404772453 1    762552 1      C-13-H3C(O)CH3
  944758.5943  0.1192 -5.4520 3 1380.2022C40  595161404772553 1    762452 1      C-13-H3C(O)CH3
  944758.5943  0.1192 -4.8660 3 1380.2022C40  595161404772553 1    762552 1      C-13-H3C(O)CH3
  944762.0198  0.1201 -4.7968 3 1380.2039C40  595161404772453 2    762452 2      C-13-H3C(O)CH3
  944762.0198  0.1201 -5.9275 3 1380.2039C40  595161404772453 2    762552 2      C-13-H3C(O)CH3
  944762.0198  0.1201 -4.8420 3 1380.2039C40  595161404772553 2    762452 2      C-13-H3C(O)CH3
  944762.0198  0.1201 -5.5594 3 1380.2039C40  595161404772553 2    762552 2      C-13-H3C(O)CH3
  944767.2120  0.0956 -5.3721 3 1380.2242620  595161404772453 3    762452 3      C-13-H3C(O)CH3
  944767.2120  0.0956 -5.3637 3 1380.2242620  595161404772453 3    762552 3      C-13-H3C(O)CH3
  944767.2120  0.0956 -5.3637 3 1380.2242620  595161404772553 3    762452 3      C-13-H3C(O)CH3
  944767.2120  0.0956 -5.3721 3 1380.2242620  595161404772553 3    762552 3      C-13-H3C(O)CH3
  944767.2245  0.0956 -5.2482 3 1380.2242620  595161404772553 4    762452 4      C-13-H3C(O)CH3
  944767.2245  0.0956 -5.0909 3 1380.2242620  595161404772453 4    762552 4      C-13-H3C(O)CH3
  944767.2245  0.0956 -5.5337 3 1380.2242620  595161404772553 4    762552 4      C-13-H3C(O)CH3
  944773.8550  0.2930 -4.8341 3  972.3056484  595161404603625 4    593524 4      C-13-H3C(O)CH3
  944786.3356  0.1022 -5.0032 3 1479.3478D68  595161404851670 0    841569 0      C-13-H3C(O)CH3
  944786.3356  0.1022 -5.3082 3 1479.3478D68  595161404851670 0    841669 0      C-13-H3C(O)CH3
  944786.3356  0.1022 -5.3082 3 1479.3478D68  595161404851570 0    841569 0      C-13-H3C(O)CH3
  944786.3356  0.1022 -5.0032 3 1479.3478D68  595161404851570 0    841669 0      C-13-H3C(O)CH3
  944796.9458  0.3046 -4.8339 3  972.3052484  595161404603625 3    593524 3      C-13-H3C(O)CH3
  944814.7867  0.1008 -5.2871 3 1479.3617D68  595161404851670 1    841569 1      C-13-H3C(O)CH3
  944814.7867  0.1008 -5.0141 3 1479.3617D68  595161404851570 1    841569 1      C-13-H3C(O)CH3
  944814.7867  0.1008 -5.2871 3 1479.3617D68  595161404851570 1    841669 1      C-13-H3C(O)CH3
  944814.7867  0.1008 -5.0141 3 1479.3617D68  595161404851670 1    841669 1      C-13-H3C(O)CH3
  944816.1569  0.1042 -4.8293 3 1479.3619D68  595161404851670 2    841669 2      C-13-H3C(O)CH3
  944816.1569  0.1042 -4.8293 3 1479.3619D68  595161404851570 2    841569 2      C-13-H3C(O)CH3
  944822.2567  0.0770 -5.2616 3 1527.1669E80  59516140492 785 0    91 784 0      C-13-H3C(O)CH3
  944822.2567  0.0770 -5.0324 3 1527.1669E80  59516140492 785 0    91 884 0      C-13-H3C(O)CH3
  944822.2567  0.0770 -5.0324 3 1527.1669E80  59516140492 885 0    91 784 0      C-13-H3C(O)CH3
  944822.2567  0.0770 -5.2616 3 1527.1669E80  59516140492 885 0    91 884 0      C-13-H3C(O)CH3
  944843.1665  0.1013 -4.8335 3 1527.1431E80  59516140492 785 2    91 784 2      C-13-H3C(O)CH3
  944843.1665  0.1013 -4.8335 3 1527.1431E80  59516140492 885 2    91 884 2      C-13-H3C(O)CH3
  944843.2793  0.1071 -4.8586 3 1527.1432E80  59516140492 785 1    91 784 1      C-13-H3C(O)CH3
  944843.2793  0.1071 -4.8586 3 1527.1432E80  59516140492 885 1    91 884 1      C-13-H3C(O)CH3
  944844.6396  0.0888 -5.1400 3 1479.3758684  595161404851570 3    841569 3      C-13-H3C(O)CH3
  944844.6396  0.0888 -5.1400 3 1479.3758684  595161404851670 3    841669 3      C-13-H3C(O)CH3
  944844.6812  0.0888 -5.4502 3 1479.3758684  595161404851670 4    841569 4      C-13-H3C(O)CH3
  944844.6812  0.0888 -5.4502 3 1479.3758684  595161404851570 4    841669 4      C-13-H3C(O)CH3
  944844.6812  0.0888 -5.4118 3 1479.3758684  595161404851570 4    841569 4      C-13-H3C(O)CH3
  944844.6812  0.0888 -5.4118 3 1479.3758684  595161404851670 4    841669 4      C-13-H3C(O)CH3
  944864.1957  0.0674 -5.1667 3 1527.1195740  59516140492 885 3    91 784 3      C-13-H3C(O)CH3
  944864.1957  0.0674 -5.1667 3 1527.1195740  59516140492 785 3    91 884 3      C-13-H3C(O)CH3
  944864.2105  0.0674 -5.4342 3 1527.1194740  59516140492 885 4    91 784 4      C-13-H3C(O)CH3
  944864.2105  0.0674 -5.4318 3 1527.1194740  59516140492 885 4    91 884 4      C-13-H3C(O)CH3
  944864.2105  0.0674 -5.4342 3 1527.1194740  59516140492 785 4    91 884 4      C-13-H3C(O)CH3
  944864.2105  0.0674 -5.4318 3 1527.1194740  59516140492 785 4    91 784 4      C-13-H3C(O)CH3
  944955.2545  0.0301 -5.1251 3  392.1602616  595161404382711 2    372414 2      C-13-H3C(O)CH3
  944957.2451  0.0100 -4.0703 3  500.3120712 -595161404442321 0    432222 0      C-13-H3C(O)CH3
  945004.0911  0.0155 -4.0701 3  500.2876712  595161404442321 2    432222 2      C-13-H3C(O)CH3
  945032.0279  0.0101 -4.0700 3  500.2905712  595161404442321 1    432222 1      C-13-H3C(O)CH3
  945078.8800  0.0166 -4.3708 3  500.2660356  595161404442321 3    432222 3      C-13-H3C(O)CH3
  945079.4071  0.0167 -4.3708 3  500.2660356  595161404442321 4    432222 4      C-13-H3C(O)CH3
  945113.9571  0.0101 -5.9785 3  234.5964504  595161404311615 2    301318 2      C-13-H3C(O)CH3
  945118.9162  0.0191 -4.2660 3  770.0619856 -595161404533519 1    523419 1      C-13-H3C(O)CH3
  945122.2703  0.0195 -4.1663 3  770.0640856  595161404533519 2    523419 2      C-13-H3C(O)CH3
  945140.4957  0.0359 -5.4508 3  392.1388308  595161404382711 4    372414 4      C-13-H3C(O)CH3
  945220.2809  0.0102 -5.9770 3  234.5989504  595161404311615 1    301318 1      C-13-H3C(O)CH3
  945227.5682  0.0181 -4.3137 3  770.0673428  595161404533519 4    523419 4      C-13-H3C(O)CH3
  945230.5569  0.0127 -4.9631 3  288.7569308  59516140438 830 4    37 631 4      C-13-H3C(O)CH3
  945230.5569  0.0127 -4.8912 3  288.7569308  59516140438 930 4    37 731 4      C-13-H3C(O)CH3
  945230.5569  0.0127 -5.5521 3  288.7569308  59516140438 930 4    37 631 4      C-13-H3C(O)CH3
  945230.5569  0.0127 -5.3219 3  288.7569308  59516140438 830 4    37 731 4      C-13-H3C(O)CH3
  945231.1536  0.0116 -4.8614 3  288.7568308  59516140438 830 3    37 731 3      C-13-H3C(O)CH3
  945231.1536  0.0116 -5.7233 3  288.7568308  59516140438 830 3    37 631 3      C-13-H3C(O)CH3
  945231.1536  0.0116 -4.8572 3  288.7568308  59516140438 930 3    37 631 3      C-13-H3C(O)CH3
  945231.1536  0.0116 -5.7551 3  288.7568308  59516140438 930 3    37 731 3      C-13-H3C(O)CH3
  945259.0649  0.0099 -4.0701 3  500.3116712  595161404442421 0    432122 0      C-13-H3C(O)CH3
  945305.8568  0.0094 -5.9782 3  234.6130504  595161404311615 0    301318 0      C-13-H3C(O)CH3
  945320.9481  0.0145 -4.0699 3  500.2871712  595161404442421 2    432122 2      C-13-H3C(O)CH3
  945341.9444  0.0102 -4.0698 3  500.2901712  595161404442421 1    432122 1      C-13-H3C(O)CH3
  945372.7632  0.0182 -5.4309 3  770.0906428  595161404533519 3    523419 3      C-13-H3C(O)CH3
  945404.1184  0.0156 -4.3706 3  500.2655356  595161404442421 4    432122 4      C-13-H3C(O)CH3
  945404.2732  0.0155 -4.3706 3  500.2656356  595161404442421 3    432122 3      C-13-H3C(O)CH3
  945404.4148  0.0090 -3.5773 3  736.8651808 -5951614045041 9 2    4940 9 2      C-13-H3C(O)CH3
  945424.9098  0.0064 -3.5772 3  736.8414808 -595161404504110 0    4940 9 0      C-13-H3C(O)CH3
  945424.9098  0.0064 -3.5772 3  736.8414808 -5951614045041 9 0    494010 0      C-13-H3C(O)CH3
  945431.2228  1.2295 -5.5503 3 1333.8316B28  595161404704228 1    694327 1      C-13-H3C(O)CH3
  945435.1299  0.0129 -3.8784 3  736.8917404  5951614045041 9 4    4940 9 4      C-13-H3C(O)CH3
  945455.9235  0.0077 -3.5772 3  736.8681808 -5951614045041 9 1    4940 9 1      C-13-H3C(O)CH3
  945509.0068  0.0080 -3.5773 3  736.8579808 -595161404504110 2    494010 2      C-13-H3C(O)CH3
  945531.1472  0.0122 -3.8783 3  736.8684404  595161404504110 3    494010 3      C-13-H3C(O)CH3
  945539.5639  0.0116 -3.8783 3  736.8846404  5951614045041 9 3    4940 9 3      C-13-H3C(O)CH3
  945552.0980  0.0074 -3.5771 3  736.8447808 -595161404504110 1    494010 1      C-13-H3C(O)CH3
  945575.4866  0.0098 -5.2130 3  288.7618616  59516140438 830 2    37 731 2      C-13-H3C(O)CH3
  945575.4866  0.0098 -5.2130 3  288.7618616  59516140438 930 2    37 631 2      C-13-H3C(O)CH3
  945575.4866  0.0098 -4.5984 3  288.7618616  59516140438 830 2    37 631 2      C-13-H3C(O)CH3
  945575.4866  0.0098 -4.5984 3  288.7618616  59516140438 930 2    37 731 2      C-13-H3C(O)CH3
  945580.3316  0.0103 -4.8736 3  288.7624616  59516140438 930 1    37 631 1      C-13-H3C(O)CH3
  945580.3316  0.0103 -4.7460 3  288.7624616  59516140438 930 1    37 731 1      C-13-H3C(O)CH3
  945580.3316  0.0103 -4.8736 3  288.7624616  59516140438 830 1    37 731 1      C-13-H3C(O)CH3
  945580.3316  0.0103 -4.7460 3  288.7624616  59516140438 830 1    37 631 1      C-13-H3C(O)CH3
  945636.1200  0.0111 -3.8783 3  736.8612404  595161404504110 4    494010 4      C-13-H3C(O)CH3
  945710.0773  0.1193 -5.4046 3 1396.8954C56  595161404782355 0    772354 0      C-13-H3C(O)CH3
  945710.0773  0.1193 -4.8978 3 1396.8954C56  595161404782355 0    772454 0      C-13-H3C(O)CH3
  945710.0773  0.1193 -4.8978 3 1396.8954C56  595161404782455 0    772354 0      C-13-H3C(O)CH3
  945710.0773  0.1193 -5.4046 3 1396.8954C56  595161404782455 0    772454 0      C-13-H3C(O)CH3
  945716.8502  0.1231 -4.7808 3 1396.9157C56  595161404782455 1    772454 1      C-13-H3C(O)CH3
  945716.8502  0.1231 -4.7808 3 1396.9157C56  595161404782355 1    772354 1      C-13-H3C(O)CH3
  945720.3022  0.1240 -4.8526 3 1396.9173C56  595161404782355 2    772354 2      C-13-H3C(O)CH3
  945720.3022  0.1240 -4.8526 3 1396.9173C56  595161404782455 2    772454 2      C-13-H3C(O)CH3
  945720.3022  0.1240 -5.5939 3 1396.9173C56  595161404782455 2    772354 2      C-13-H3C(O)CH3
  945720.3022  0.1240 -5.5939 3 1396.9173C56  595161404782355 2    772454 2      C-13-H3C(O)CH3
  945727.0939  0.0973 -5.4751 3 1396.9377628  595161404782355 3    772354 3      C-13-H3C(O)CH3
  945727.0939  0.0973 -5.3058 3 1396.9377628  595161404782455 3    772354 3      C-13-H3C(O)CH3
  945727.0939  0.0973 -5.3058 3 1396.9377628  595161404782355 3    772454 3      C-13-H3C(O)CH3
  945727.0939  0.0973 -5.4751 3 1396.9377628  595161404782455 3    772454 3      C-13-H3C(O)CH3
  945727.1093  0.0973 -5.7167 3 1396.9377628  595161404782455 4    772454 4      C-13-H3C(O)CH3
  945727.1093  0.0973 -5.1956 3 1396.9377628  595161404782355 4    772454 4      C-13-H3C(O)CH3
  945727.1093  0.0973 -5.1956 3 1396.9377628  595161404782455 4    772354 4      C-13-H3C(O)CH3
  945727.1093  0.0973 -5.7167 3 1396.9377628  595161404782355 4    772354 4      C-13-H3C(O)CH3
  945924.0477  0.0094 -5.4857 3  288.7674616  59516140438 830 0    37 631 0      C-13-H3C(O)CH3
  945924.0477  0.0094 -4.5514 3  288.7674616  59516140438 830 0    37 731 0      C-13-H3C(O)CH3
  945924.0477  0.0094 -5.4857 3  288.7674616  59516140438 930 0    37 731 0      C-13-H3C(O)CH3
  945924.0477  0.0094 -4.5514 3  288.7674616  59516140438 930 0    37 631 0      C-13-H3C(O)CH3
  945927.3972  0.0963 -4.8538 3 1491.1257D84  595161404861472 0    851471 0      C-13-H3C(O)CH3
  945927.3972  0.0963 -4.8538 3 1491.1257D84  595161404861572 0    851571 0      C-13-H3C(O)CH3
  945936.9592  0.0162 -3.9181 3  770.0496856  595161404533518 0    523419 0      C-13-H3C(O)CH3
  945958.2117  0.0939 -4.8536 3 1491.1372D84  595161404861572 1    851571 1      C-13-H3C(O)CH3
  945958.2117  0.0939 -4.8536 3 1491.1372D84  595161404861472 1    851471 1      C-13-H3C(O)CH3
  945959.2006  0.0967 -5.4737 3 1491.1372D84  595161404861572 2    851471 2      C-13-H3C(O)CH3
  945959.2006  0.0967 -5.4737 3 1491.1372D84  595161404861472 2    851571 2      C-13-H3C(O)CH3
  945959.2006  0.0967 -4.9521 3 1491.1372D84  595161404861472 2    851471 2      C-13-H3C(O)CH3
  945959.2006  0.0967 -4.9521 3 1491.1372D84  595161404861572 2    851571 2      C-13-H3C(O)CH3
  945963.9350  0.0099 -5.9782 3  234.5964504  595161404311715 2    301218 2      C-13-H3C(O)CH3
  945990.0467  0.0868 -5.1594 3 1491.1487692  595161404861472 3    851571 3      C-13-H3C(O)CH3
  945990.0467  0.0868 -5.1594 3 1491.1487692  595161404861572 3    851471 3      C-13-H3C(O)CH3
  945990.0903  0.0868 -5.8674 3 1491.1487692  595161404861572 4    851471 4      C-13-H3C(O)CH3
  945990.0903  0.0868 -5.8674 3 1491.1487692  595161404861472 4    851571 4      C-13-H3C(O)CH3
  945990.0903  0.0868 -5.2288 3 1491.1487692  595161404861472 4    851471 4      C-13-H3C(O)CH3
  945990.0903  0.0868 -5.2288 3 1491.1487692  595161404861572 4    851571 4      C-13-H3C(O)CH3
  946046.8832  0.0099 -5.9766 3  234.5989504  595161404311715 1    301218 1      C-13-H3C(O)CH3
  946075.9508  0.0753 -4.8353 3 1534.6611E96  59516140493 787 0    92 786 0      C-13-H3C(O)CH3
  946075.9508  0.0753 -4.8353 3 1534.6611E96  59516140493 687 0    92 686 0      C-13-H3C(O)CH3
  946076.8554  1.6869 -5.5491 3 1333.8265B28  595161404704228 2    694327 2      C-13-H3C(O)CH3
  946089.1015  0.1053 -4.9077 3 1534.6318E96  59516140493 787 1    92 786 1      C-13-H3C(O)CH3
  946089.1015  0.1053 -5.6405 3 1534.6318E96  59516140493 787 1    92 686 1      C-13-H3C(O)CH3
  946089.1015  0.1053 -4.9356 3 1534.6318E96  59516140493 687 1    92 686 1      C-13-H3C(O)CH3
  946089.1015  0.1053 -5.5146 3 1534.6318E96  59516140493 687 1    92 786 1      C-13-H3C(O)CH3
  946089.1057  0.1009 -5.3415 3 1534.6318E96  59516140493 787 2    92 686 2      C-13-H3C(O)CH3
  946089.1057  0.1009 -4.9957 3 1534.6318E96  59516140493 787 2    92 786 2      C-13-H3C(O)CH3
  946089.1057  0.1009 -5.3415 3 1534.6318E96  59516140493 687 2    92 786 2      C-13-H3C(O)CH3
  946089.1057  0.1009 -4.9957 3 1534.6318E96  59516140493 687 2    92 686 2      C-13-H3C(O)CH3
  946102.2596  0.0630 -5.2742 3 1534.6024748  59516140493 787 4    92 686 4      C-13-H3C(O)CH3
  946102.2596  0.0630 -5.6969 3 1534.6024748  59516140493 687 4    92 686 4      C-13-H3C(O)CH3
  946102.2596  0.0630 -5.2742 3 1534.6024748  59516140493 687 4    92 786 4      C-13-H3C(O)CH3
  946102.2596  0.0630 -5.6969 3 1534.6024748  59516140493 787 4    92 786 4      C-13-H3C(O)CH3
  946102.2625  0.0630 -5.1404 3 1534.6024748  59516140493 787 3    92 686 3      C-13-H3C(O)CH3
  946102.2625  0.0630 -5.1404 3 1534.6024748  59516140493 687 3    92 786 3      C-13-H3C(O)CH3
  946144.4823  0.0094 -5.9779 3  234.6129504  595161404311715 0    301218 0      C-13-H3C(O)CH3
  946193.4243  0.0203 -5.1699 3  248.2876300  59516140437 532 4    36 433 4      C-13-H3C(O)CH3
  946193.4243  0.0203 -5.1699 3  248.2876300  59516140437 632 4    36 333 4      C-13-H3C(O)CH3
  946193.6699  0.0186 -5.5368 3  248.2875300  59516140437 532 3    36 333 3      C-13-H3C(O)CH3
  946193.6699  0.0186 -5.5368 3  248.2875300  59516140437 632 3    36 433 3      C-13-H3C(O)CH3
  946193.6699  0.0186 -5.3902 3  248.2875300  59516140437 532 3    36 433 3      C-13-H3C(O)CH3
  946193.6699  0.0186 -5.3902 3  248.2875300  59516140437 632 3    36 333 3      C-13-H3C(O)CH3
  946273.2044  0.0451 -4.2452 3  770.0906428  595161404533518 3    523419 3      C-13-H3C(O)CH3
  946510.9979  0.0743 -4.1759 3  770.0619856  595161404533518 1    523419 1      C-13-H3C(O)CH3
  946519.2000  0.0087 -3.6579 3  745.7310824 -595161404513912 2    503812 2      C-13-H3C(O)CH3
  946540.3935  0.0119 -3.9591 3  745.7603412  595161404513912 4    503812 4      C-13-H3C(O)CH3
  946547.1232  0.0064 -3.6576 3  745.6927824 -595161404513913 0    503812 0      C-13-H3C(O)CH3
  946547.1232  0.0064 -3.6576 3  745.6927824 -595161404513912 0    503813 0      C-13-H3C(O)CH3
  946568.3127  0.0077 -3.6577 3  745.7220824 -595161404513912 1    503812 1      C-13-H3C(O)CH3
  946648.1169  0.0118 -3.9589 3  745.7412412  595161404513913 3    503813 3      C-13-H3C(O)CH3
  946665.1022  0.0082 -3.6576 3  745.7187824 -595161404513913 2    503813 2      C-13-H3C(O)CH3
  946675.7030  0.0080 -3.6576 3  745.7029824 -595161404513913 1    503813 1      C-13-H3C(O)CH3
  946686.3955  0.0108 -3.9588 3  745.7480412  595161404513912 3    503812 3      C-13-H3C(O)CH3
  946699.6482  0.1219 -5.5531 3 1413.0530C72  595161404792357 0    782356 0      C-13-H3C(O)CH3
  946699.6482  0.1219 -5.5531 3 1413.0530C72  595161404792257 0    782256 0      C-13-H3C(O)CH3
  946699.6482  0.1219 -4.8773 3 1413.0530C72  595161404792257 0    782356 0      C-13-H3C(O)CH3
  946699.6482  0.1219 -4.8773 3 1413.0530C72  595161404792357 0    782256 0      C-13-H3C(O)CH3
  946708.3142  0.1261 -5.6733 3 1413.0734C72  595161404792357 1    782256 1      C-13-H3C(O)CH3
  946708.3142  0.1261 -4.8558 3 1413.0734C72  595161404792257 1    782256 1      C-13-H3C(O)CH3
  946708.3142  0.1261 -5.6733 3 1413.0734C72  595161404792257 1    782356 1      C-13-H3C(O)CH3
  946708.3142  0.1261 -4.8558 3 1413.0734C72  595161404792357 1    782356 1      C-13-H3C(O)CH3
  946711.7313  0.1273 -5.6740 3 1413.0749C72  595161404792357 2    782256 2      C-13-H3C(O)CH3
  946711.7313  0.1273 -4.8556 3 1413.0749C72  595161404792357 2    782356 2      C-13-H3C(O)CH3
  946711.7313  0.1273 -4.8556 3 1413.0749C72  595161404792257 2    782256 2      C-13-H3C(O)CH3
  946711.7313  0.1273 -5.6740 3 1413.0749C72  595161404792257 2    782356 2      C-13-H3C(O)CH3
  946720.4178  0.0986 -5.1260 3 1413.0952636  595161404792357 3    782256 3      C-13-H3C(O)CH3
  946720.4178  0.0986 -5.1260 3 1413.0952636  595161404792257 3    782356 3      C-13-H3C(O)CH3
  946720.4362  0.0986 -5.7845 3 1413.0953636  595161404792357 4    782356 4      C-13-H3C(O)CH3
  946720.4362  0.0986 -5.1947 3 1413.0953636  595161404792357 4    782256 4      C-13-H3C(O)CH3
  946720.4362  0.0986 -5.7845 3 1413.0953636  595161404792257 4    782256 4      C-13-H3C(O)CH3
  946720.4362  0.0986 -5.1947 3 1413.0953636  595161404792257 4    782356 4      C-13-H3C(O)CH3
  946737.0629  0.0093 -3.7622 3  756.6161840 -595161404523716 0    513615 0      C-13-H3C(O)CH3
  946740.8987  0.1135 -4.2774 3  770.0640856  595161404533518 2    523419 2      C-13-H3C(O)CH3
  946747.4276  0.0093 -3.7622 3  756.6159840  595161404523715 0    513616 0      C-13-H3C(O)CH3
  946752.9176  0.0097 -3.7624 3  756.6669840 -595161404523715 2    513615 2      C-13-H3C(O)CH3
  946783.3260  0.0100 -3.7624 3  756.6527840 -595161404523715 1    513615 1      C-13-H3C(O)CH3
  946794.2438  0.0117 -3.9587 3  745.7288412  595161404513913 4    503813 4      C-13-H3C(O)CH3
  946794.4354  0.0132 -4.0636 3  756.7036420  595161404523715 4    513615 4      C-13-H3C(O)CH3
  946804.6739  1.3120 -5.5478 3 1333.8052B28  595161404704228 0    694327 0      C-13-H3C(O)CH3
  946807.9220  0.0173 -5.2339 3  248.2649600  59516140437 532 2    36 333 2      C-13-H3C(O)CH3
  946807.9220  0.0173 -5.0889 3  248.2649600  59516140437 532 2    36 433 2      C-13-H3C(O)CH3
  946807.9220  0.0173 -5.0889 3  248.2649600  59516140437 632 2    36 333 2      C-13-H3C(O)CH3
  946807.9220  0.0173 -5.2339 3  248.2649600  59516140437 632 2    36 433 2      C-13-H3C(O)CH3
  946810.8890  0.0189 -4.8549 3  248.2654600  59516140437 632 1    36 333 1      C-13-H3C(O)CH3
  946810.8890  0.0189 -4.8549 3  248.2654600  59516140437 532 1    36 433 1      C-13-H3C(O)CH3
  946900.6149  0.0095 -3.7620 3  756.6274840 -595161404523716 1    513616 1      C-13-H3C(O)CH3
  946911.8144  0.0137 -4.0643 3  756.6783420  595161404523715 3    513615 3      C-13-H3C(O)CH3
  946920.4388  0.0096 -3.7619 3  756.6374840 -595161404523716 2    513616 2      C-13-H3C(O)CH3
  946962.0150  0.0136 -4.0640 3  756.6740420  595161404523716 3    513616 3      C-13-H3C(O)CH3
  947032.5287  0.0067 -4.1361 3  399.1710664  595161404411625 0    401526 0      C-13-H3C(O)CH3
  947032.5291  0.0067 -4.1361 3  399.1710664  595161404411725 0    401426 0      C-13-H3C(O)CH3
  947041.1782  0.0082 -4.1359 3  399.1418664  595161404411625 2    401526 2      C-13-H3C(O)CH3
  947041.1786  0.0082 -4.1359 3  399.1418664  595161404411725 2    401426 2      C-13-H3C(O)CH3
  947049.1889  0.0081 -4.1359 3  399.1433664  595161404411625 1    401526 1      C-13-H3C(O)CH3
  947049.1893  0.0081 -4.1359 3  399.1433664  595161404411725 1    401426 1      C-13-H3C(O)CH3
  947057.6814  0.0090 -4.4366 3  399.1141332  595161404411625 4    401526 4      C-13-H3C(O)CH3
  947057.6819  0.0090 -4.4366 3  399.1141332  595161404411725 4    401426 4      C-13-H3C(O)CH3
  947057.8955  0.0090 -4.4367 3  399.1141332  595161404411625 3    401526 3      C-13-H3C(O)CH3
  947057.8960  0.0090 -4.4367 3  399.1141332  595161404411725 3    401426 3      C-13-H3C(O)CH3
  947079.3306  0.0146 -4.0627 3  756.6487420  595161404523716 4    513616 4      C-13-H3C(O)CH3
  947082.6234  0.0902 -5.4576 3 1502.3693E00  595161404871474 0    861373 0      C-13-H3C(O)CH3
  947082.6234  0.0902 -4.9686 3 1502.3693E00  595161404871474 0    861473 0      C-13-H3C(O)CH3
  947082.6234  0.0902 -5.4576 3 1502.3693E00  595161404871374 0    861473 0      C-13-H3C(O)CH3
  947082.6234  0.0902 -4.9686 3 1502.3693E00  595161404871374 0    861373 0      C-13-H3C(O)CH3
  947115.3780  0.0878 -4.9468 3 1502.3778E00  595161404871374 1    861373 1      C-13-H3C(O)CH3
  947115.3780  0.0878 -4.9468 3 1502.3778E00  595161404871474 1    861473 1      C-13-H3C(O)CH3
  947115.3780  0.0878 -5.5327 3 1502.3778E00  595161404871474 1    861373 1      C-13-H3C(O)CH3
  947115.3780  0.0878 -5.5327 3 1502.3778E00  595161404871374 1    861473 1      C-13-H3C(O)CH3
  947116.0045  0.0893 -4.8470 3 1502.3777E00  595161404871474 2    861373 2      C-13-H3C(O)CH3
  947116.0045  0.0893 -4.8470 3 1502.3777E00  595161404871374 2    861473 2      C-13-H3C(O)CH3
  947148.7898  0.0847 -5.1642 3 1502.3862700  595161404871474 3    861473 3      C-13-H3C(O)CH3
  947148.7898  0.0847 -5.1642 3 1502.3862700  595161404871374 3    861373 3      C-13-H3C(O)CH3
  947148.8350  0.0847 -5.1548 3 1502.3862700  595161404871474 4    861473 4      C-13-H3C(O)CH3
  947148.8350  0.0847 -5.1548 3 1502.3862700  595161404871374 4    861373 4      C-13-H3C(O)CH3
  947279.9263  0.0120 -5.4900 3  296.6195552  595161404342114 0    331617 0      C-13-H3C(O)CH3
  947310.6728  0.0119 -5.4890 3  296.5983552  595161404342114 1    331617 1      C-13-H3C(O)CH3
  947318.2896  0.0121 -5.4900 3  296.5940552  595161404342114 2    331617 2      C-13-H3C(O)CH3
  947334.5181  0.0138 -5.3442 3  320.9073568  595161404352313 1    341816 1      C-13-H3C(O)CH3
  947344.9467  0.0686 -4.8969 3 1541.6270F12  59516140494 589 0    93 588 0      C-13-H3C(O)CH3
  947344.9467  0.0686 -4.8969 3 1541.6270F12  59516140494 689 0    93 688 0      C-13-H3C(O)CH3
  947344.9467  0.0686 -5.7213 3 1541.6270F12  59516140494 689 0    93 588 0      C-13-H3C(O)CH3
  947344.9467  0.0686 -5.7213 3 1541.6270F12  59516140494 589 0    93 688 0      C-13-H3C(O)CH3
  947345.6669  0.0123 -5.7897 3  296.5727276  595161404342114 4    331617 4      C-13-H3C(O)CH3
  947348.0971  0.0118 -5.7897 3  296.5727276  595161404342114 3    331617 3      C-13-H3C(O)CH3
  947348.5984  0.0946 -5.0073 3 1541.5936F12  59516140494 589 1    93 688 1      C-13-H3C(O)CH3
  947348.5984  0.0946 -5.3234 3 1541.5936F12  59516140494 589 1    93 588 1      C-13-H3C(O)CH3
  947348.5984  0.0946 -5.0073 3 1541.5936F12  59516140494 689 1    93 588 1      C-13-H3C(O)CH3
  947348.5984  0.0946 -5.3234 3 1541.5936F12  59516140494 689 1    93 688 1      C-13-H3C(O)CH3
  947348.6983  0.0920 -4.9724 3 1541.5935F12  59516140494 689 2    93 688 2      C-13-H3C(O)CH3
  947348.6983  0.0920 -5.4062 3 1541.5935F12  59516140494 689 2    93 588 2      C-13-H3C(O)CH3
  947348.6983  0.0920 -4.9724 3 1541.5935F12  59516140494 589 2    93 588 2      C-13-H3C(O)CH3
  947348.6983  0.0920 -5.4062 3 1541.5935F12  59516140494 589 2    93 688 2      C-13-H3C(O)CH3
  947352.3365  0.0563 -5.2051 3 1541.5601756  59516140494 589 4    93 588 4      C-13-H3C(O)CH3
  947352.3365  0.0563 -5.9765 3 1541.5601756  59516140494 689 4    93 588 4      C-13-H3C(O)CH3
  947352.3365  0.0563 -5.2051 3 1541.5601756  59516140494 689 4    93 688 4      C-13-H3C(O)CH3
  947352.3365  0.0563 -5.9765 3 1541.5601756  59516140494 589 4    93 688 4      C-13-H3C(O)CH3
  947352.3589  0.0563 -5.2157 3 1541.5601756  59516140494 689 3    93 688 3      C-13-H3C(O)CH3
  947352.3589  0.0563 -5.2157 3 1541.5601756  59516140494 589 3    93 588 3      C-13-H3C(O)CH3
  947352.3589  0.0563 -5.9184 3 1541.5601756  59516140494 589 3    93 688 3      C-13-H3C(O)CH3
  947352.3589  0.0563 -5.9184 3 1541.5601756  59516140494 689 3    93 588 3      C-13-H3C(O)CH3
  947376.2276  0.0141 -5.3458 3  320.9283568  595161404352313 0    341816 0      C-13-H3C(O)CH3
  947423.8829  0.0163 -5.0008 3  248.2429600  59516140437 632 0    36 333 0      C-13-H3C(O)CH3
  947423.8829  0.0163 -5.3950 3  248.2429600  59516140437 532 0    36 333 0      C-13-H3C(O)CH3
  947423.8829  0.0163 -5.0008 3  248.2429600  59516140437 532 0    36 433 0      C-13-H3C(O)CH3
  947423.8829  0.0163 -5.3950 3  248.2429600  59516140437 632 0    36 433 0      C-13-H3C(O)CH3
  947550.7121  0.0132 -5.6476 3  320.8795284  595161404352313 4    341816 4      C-13-H3C(O)CH3
  947553.3764  0.0144 -5.6477 3  320.8794284  595161404352313 3    341816 3      C-13-H3C(O)CH3
  947599.1449  0.0137 -5.3486 3  320.9004568  595161404352313 2    341816 2      C-13-H3C(O)CH3
  947604.2064  0.0483 -5.7686 3  207.1391584  59516140436 334 2    35 135 2      C-13-H3C(O)CH3
  947604.2064  0.0483 -5.7686 3  207.1391584  59516140436 234 2    35 035 2      C-13-H3C(O)CH3
  947717.1260  0.1237 -4.8079 3 1428.6587C88  595161404802159 0    792258 0      C-13-H3C(O)CH3
  947717.1260  0.1237 -4.8079 3 1428.6587C88  595161404802259 0    792158 0      C-13-H3C(O)CH3
  947727.9586  0.1281 -5.4436 3 1428.6790C88  595161404802259 1    792258 1      C-13-H3C(O)CH3
  947727.9586  0.1281 -4.9222 3 1428.6790C88  595161404802159 1    792258 1      C-13-H3C(O)CH3
  947727.9586  0.1281 -4.9222 3 1428.6790C88  595161404802259 1    792158 1      C-13-H3C(O)CH3
  947727.9586  0.1281 -5.4436 3 1428.6790C88  595161404802159 1    792158 1      C-13-H3C(O)CH3
  947731.2768  0.1297 -5.5809 3 1428.6803C88  595161404802159 2    792158 2      C-13-H3C(O)CH3
  947731.2768  0.1297 -4.8882 3 1428.6803C88  595161404802259 2    792158 2      C-13-H3C(O)CH3
  947731.2768  0.1297 -5.5809 3 1428.6803C88  595161404802259 2    792258 2      C-13-H3C(O)CH3
  947731.2768  0.1297 -4.8882 3 1428.6803C88  595161404802159 2    792258 2      C-13-H3C(O)CH3
  947742.1315  0.0994 -5.1398 3 1428.7006644  595161404802159 3    792258 3      C-13-H3C(O)CH3
  947742.1315  0.0994 -5.1398 3 1428.7006644  595161404802259 3    792158 3      C-13-H3C(O)CH3
  947742.1531  0.0994 -5.3535 3 1428.7007644  595161404802159 4    792258 4      C-13-H3C(O)CH3
  947742.1531  0.0994 -5.4751 3 1428.7007644  595161404802259 4    792258 4      C-13-H3C(O)CH3
  947742.1531  0.0994 -5.3535 3 1428.7007644  595161404802259 4    792158 4      C-13-H3C(O)CH3
  947742.1531  0.0994 -5.4751 3 1428.7007644  595161404802159 4    792158 4      C-13-H3C(O)CH3
  947763.6059  0.1878 -4.6689 3 1100.6661A32  595161404643728 0    633627 0      C-13-H3C(O)CH3
  947821.0233  0.1776 -4.9203 3  770.0673428  595161404533518 4    523419 4      C-13-H3C(O)CH3
  947958.2202  0.0150 -3.4525 3  733.4323776  5951614044846 2 0    4745 3 0      C-13-H3C(O)CH3
  947958.2202  0.0150 -3.4525 3  733.4323776  5951614044846 3 0    4745 2 0      C-13-H3C(O)CH3
  948000.5996  0.0161 -3.4526 3  733.4909776  5951614044846 2 1    4745 2 1      C-13-H3C(O)CH3
  948050.2038  0.0167 -3.4525 3  733.4662776  5951614044846 2 2    4745 2 2      C-13-H3C(O)CH3
  948062.6896  0.2030 -4.6692 3 1100.6683A32  595161404643728 2    633627 2      C-13-H3C(O)CH3
  948087.3239  0.2907 -5.0911 3 1138.3895524  595161404653728 3    643827 3      C-13-H3C(O)CH3
  948093.1456  0.0219 -3.7535 3  733.5247388  5951614044846 2 4    4745 2 4      C-13-H3C(O)CH3
  948093.5878  0.2815 -5.0911 3 1138.3894524  595161404653728 4    643827 4      C-13-H3C(O)CH3
  948120.9404  0.0182 -3.4523 3  733.4183776  5951614044846 3 2    4745 3 2      C-13-H3C(O)CH3
  948137.7546  0.1628 -4.6692 3 1100.6632A32  595161404643728 1    633627 1      C-13-H3C(O)CH3
  948153.4592  0.0447 -4.4191 3  558.3953372  595161404462620 3    452521 3      C-13-H3C(O)CH3
  948159.4985  0.0456 -4.4191 3  558.3952372  595161404462620 4    452521 4      C-13-H3C(O)CH3
  948163.4612  0.0240 -3.7534 3  733.4767388  5951614044846 3 3    4745 3 3      C-13-H3C(O)CH3
  948170.7314  0.0172 -3.4523 3  733.4437776  5951614044846 3 1    4745 3 1      C-13-H3C(O)CH3
  948216.7233  0.0444 -4.1183 3  558.4122744  595161404462620 2    452521 2      C-13-H3C(O)CH3
  948251.8503  0.0846 -5.3140 3 1513.0800E16  595161404881276 0    871375 0      C-13-H3C(O)CH3
  948251.8503  0.0846 -5.0398 3 1513.0800E16  595161404881376 0    871375 0      C-13-H3C(O)CH3
  948251.8503  0.0846 -5.3140 3 1513.0800E16  595161404881376 0    871275 0      C-13-H3C(O)CH3
  948251.8503  0.0846 -5.0398 3 1513.0800E16  595161404881276 0    871275 0      C-13-H3C(O)CH3
  948262.7989  0.0241 -3.7533 3  733.4774388  5951614044846 2 3    4745 2 3      C-13-H3C(O)CH3
  948285.9105  0.0844 -5.9114 3 1513.0849E16  595161404881276 1    871275 1      C-13-H3C(O)CH3
  948285.9105  0.0844 -4.8945 3 1513.0849E16  595161404881276 1    871375 1      C-13-H3C(O)CH3
  948285.9105  0.0844 -5.9114 3 1513.0849E16  595161404881376 1    871375 1      C-13-H3C(O)CH3
  948285.9105  0.0844 -4.8945 3 1513.0849E16  595161404881376 1    871275 1      C-13-H3C(O)CH3
  948286.2163  0.0837 -4.8546 3 1513.0847E16  595161404881376 2    871375 2      C-13-H3C(O)CH3
  948286.2163  0.0837 -4.8546 3 1513.0847E16  595161404881276 2    871275 2      C-13-H3C(O)CH3
  948309.6730  0.2524 -4.7889 3 1138.3766A48  595161404653728 1    643827 1      C-13-H3C(O)CH3
  948320.3051  0.0827 -5.5051 3 1513.0895708  595161404881276 3    871275 3      C-13-H3C(O)CH3
  948320.3051  0.0827 -5.4131 3 1513.0895708  595161404881276 3    871375 3      C-13-H3C(O)CH3
  948320.3051  0.0827 -5.4131 3 1513.0895708  595161404881376 3    871275 3      C-13-H3C(O)CH3
  948320.3051  0.0827 -5.5051 3 1513.0895708  595161404881376 3    871375 3      C-13-H3C(O)CH3
  948320.3511  0.0827 -5.1586 3 1513.0895708  595161404881276 4    871275 4      C-13-H3C(O)CH3
  948320.3511  0.0827 -5.1586 3 1513.0895708  595161404881376 4    871375 4      C-13-H3C(O)CH3
  948332.9325  0.0278 -3.7532 3  733.4296388  5951614044846 3 4    4745 3 4      C-13-H3C(O)CH3
  948339.6048  0.0216 -4.1182 3  558.4159744  595161404462620 1    452521 1      C-13-H3C(O)CH3
  948399.1639  0.0243 -4.1184 3  558.4328744  595161404462620 0    452521 0      C-13-H3C(O)CH3
  948440.8898  0.1534 -4.9705 3 1100.6652516  595161404643728 4    633627 4      C-13-H3C(O)CH3
  948441.2435  0.3320 -4.7884 3 1138.3784A48  595161404653728 2    643827 2      C-13-H3C(O)CH3
  948444.0888  0.1585 -4.9705 3 1100.6652516  595161404643728 3    633627 3      C-13-H3C(O)CH3
  948602.5858  0.0467 -5.7603 3  207.0711584  59516140436 334 0    35 035 0      C-13-H3C(O)CH3
  948602.5858  0.0467 -5.7603 3  207.0711584  59516140436 234 0    35 135 0      C-13-H3C(O)CH3
  948615.2382  0.0469 -5.1553 3 1547.9945764  59516140495 591 4    94 590 4      C-13-H3C(O)CH3
  948615.2382  0.0469 -5.1553 3 1547.9945764  59516140495 491 4    94 490 4      C-13-H3C(O)CH3
  948615.2758  0.0469 -5.2916 3 1547.9945764  59516140495 591 3    94 590 3      C-13-H3C(O)CH3
  948615.2758  0.0469 -5.2916 3 1547.9945764  59516140495 491 3    94 490 3      C-13-H3C(O)CH3
  948615.2758  0.0469 -5.6656 3 1547.9945764  59516140495 591 3    94 490 3      C-13-H3C(O)CH3
  948615.2758  0.0469 -5.6656 3 1547.9945764  59516140495 491 3    94 590 3      C-13-H3C(O)CH3
  948621.8517  0.0741 -4.8383 3 1548.0291F28  59516140495 491 1    94 490 1      C-13-H3C(O)CH3
  948621.8517  0.0741 -4.8383 3 1548.0291F28  59516140495 591 1    94 590 1      C-13-H3C(O)CH3
  948621.9675  0.0737 -5.3068 3 1548.0289F28  59516140495 491 2    94 590 2      C-13-H3C(O)CH3
  948621.9675  0.0737 -5.3068 3 1548.0289F28  59516140495 591 2    94 490 2      C-13-H3C(O)CH3
  948621.9675  0.0737 -5.0177 3 1548.0289F28  59516140495 591 2    94 590 2      C-13-H3C(O)CH3
  948621.9675  0.0737 -5.0177 3 1548.0289F28  59516140495 491 2    94 490 2      C-13-H3C(O)CH3
  948628.5558  0.0559 -5.5287 3 1548.0635F28  59516140495 591 0    94 590 0      C-13-H3C(O)CH3
  948628.5558  0.0559 -4.9365 3 1548.0635F28  59516140495 491 0    94 590 0      C-13-H3C(O)CH3
  948628.5558  0.0559 -4.9365 3 1548.0635F28  59516140495 591 0    94 490 0      C-13-H3C(O)CH3
  948628.5558  0.0559 -5.5287 3 1548.0635F28  59516140495 491 0    94 490 0      C-13-H3C(O)CH3
  948654.3036  0.2672 -4.7873 3 1138.3657A48  595161404653728 0    643827 0      C-13-H3C(O)CH3
  948758.6893  0.1245 -4.8214 3 1443.7158D04  595161404812161 0    802060 0      C-13-H3C(O)CH3
  948758.6893  0.1245 -4.8214 3 1443.7158D04  595161404812061 0    802160 0      C-13-H3C(O)CH3
  948771.9360  0.1288 -4.8280 3 1443.7358D04  595161404812061 1    802160 1      C-13-H3C(O)CH3
  948771.9360  0.1288 -4.8280 3 1443.7358D04  595161404812161 1    802060 1      C-13-H3C(O)CH3
  948775.0902  0.1309 -4.8458 3 1443.7370D04  595161404812061 2    802160 2      C-13-H3C(O)CH3
  948775.0902  0.1309 -5.4680 3 1443.7370D04  595161404812061 2    802060 2      C-13-H3C(O)CH3
  948775.0902  0.1309 -4.9322 3 1443.7370D04  595161404812161 2    802060 2      C-13-H3C(O)CH3
  948788.3607  0.0998 -5.2790 3 1443.7571652  595161404812061 3    802060 3      C-13-H3C(O)CH3
  948788.3607  0.0998 -5.6409 3 1443.7571652  595161404812061 3    802160 3      C-13-H3C(O)CH3
  948788.3607  0.0998 -5.6409 3 1443.7571652  595161404812161 3    802060 3      C-13-H3C(O)CH3
  948788.3607  0.0998 -5.2790 3 1443.7571652  595161404812161 3    802160 3      C-13-H3C(O)CH3
  948788.3855  0.0998 -5.4870 3 1443.7571652  595161404812061 4    802060 4      C-13-H3C(O)CH3
  948788.3855  0.0998 -5.3677 3 1443.7571652  595161404812161 4    802060 4      C-13-H3C(O)CH3
  948788.3855  0.0998 -5.3677 3 1443.7571652  595161404812061 4    802160 4      C-13-H3C(O)CH3
  948788.3855  0.0998 -5.4870 3 1443.7571652  595161404812161 4    802160 4      C-13-H3C(O)CH3
  949032.5531  0.0827 -4.7021 3 1256.9688B28  595161404703238 0    693337 0      C-13-H3C(O)CH3
  949032.5545  0.0827 -4.7021 3 1256.9688B28  595161404703338 0    693237 0      C-13-H3C(O)CH3
  949036.3331  0.0826 -4.7022 3 1256.9856B28  595161404703238 1    693337 1      C-13-H3C(O)CH3
  949036.3351  0.0826 -4.7022 3 1256.9856B28  595161404703338 1    693237 1      C-13-H3C(O)CH3
  949038.0513  0.0851 -4.7022 3 1256.9880B28  595161404703238 2    693337 2      C-13-H3C(O)CH3
  949038.0528  0.0851 -4.7022 3 1256.9880B28  595161404703338 2    693237 2      C-13-H3C(O)CH3
  949041.8398  0.0771 -5.0032 3 1257.0049564  595161404703238 4    693337 4      C-13-H3C(O)CH3
  949041.8418  0.0771 -5.0032 3 1257.0049564  595161404703338 4    693237 4      C-13-H3C(O)CH3
  949041.8444  0.0771 -5.0032 3 1257.0049564  595161404703238 3    693337 3      C-13-H3C(O)CH3
  949041.8465  0.0771 -5.0032 3 1257.0049564  595161404703338 3    693237 3      C-13-H3C(O)CH3
  949177.8866  0.0265 -4.1576 3  563.1716744  595161404462819 0    452520 0      C-13-H3C(O)CH3
  949187.7020  0.0883 -4.7129 3 1278.4307B44  595161404713140 0    703239 0      C-13-H3C(O)CH3
  949187.7020  0.0883 -4.7129 3 1278.4307B44  595161404713240 0    703139 0      C-13-H3C(O)CH3
  949189.1613  0.0884 -4.7130 3 1278.4483B44  595161404713140 1    703239 1      C-13-H3C(O)CH3
  949189.1613  0.0884 -4.7130 3 1278.4483B44  595161404713240 1    703139 1      C-13-H3C(O)CH3
  949191.2255  0.0906 -4.7132 3 1278.4505B44  595161404713240 2    703139 2      C-13-H3C(O)CH3
  949191.2255  0.0906 -4.7132 3 1278.4505B44  595161404713140 2    703239 2      C-13-H3C(O)CH3
  949192.6895  0.0808 -5.0140 3 1278.4682572  595161404713140 4    703239 4      C-13-H3C(O)CH3
  949192.6895  0.0808 -5.0140 3 1278.4682572  595161404713240 4    703139 4      C-13-H3C(O)CH3
  949192.6950  0.0808 -5.0140 3 1278.4681572  595161404713140 3    703239 3      C-13-H3C(O)CH3
  949192.6951  0.0808 -5.0140 3 1278.4681572  595161404713240 3    703139 3      C-13-H3C(O)CH3
  949206.0978  0.0771 -4.6940 3 1234.8374B12  595161404693336 0    683435 0      C-13-H3C(O)CH3
  949206.1703  0.0771 -4.6940 3 1234.8374B12  595161404693436 0    683335 0      C-13-H3C(O)CH3
  949213.5967  0.0768 -4.6941 3 1234.8533B12  595161404693336 1    683435 1      C-13-H3C(O)CH3
  949213.6846  0.0768 -4.6941 3 1234.8533B12  595161404693436 1    683335 1      C-13-H3C(O)CH3
  949214.9624  0.0796 -4.6941 3 1234.8558B12  595161404693336 2    683435 2      C-13-H3C(O)CH3
  949215.0392  0.0796 -4.6941 3 1234.8558B12  595161404693436 2    683335 2      C-13-H3C(O)CH3
  949222.4799  0.0732 -4.9951 3 1234.8718556  595161404693336 4    683435 4      C-13-H3C(O)CH3
  949222.4809  0.0732 -4.9951 3 1234.8718556  595161404693336 3    683435 3      C-13-H3C(O)CH3
  949222.5723  0.0732 -4.9951 3 1234.8718556  595161404693436 4    683335 4      C-13-H3C(O)CH3
  949222.5738  0.0732 -4.9951 3 1234.8718556  595161404693436 3    683335 3      C-13-H3C(O)CH3
  949410.1868  0.0240 -4.1580 3  563.1530744  595161404462819 1    452520 1      C-13-H3C(O)CH3
  949435.1140  0.0806 -4.9292 3 1523.2593E32  595161404891278 0    881277 0      C-13-H3C(O)CH3
  949435.1140  0.0806 -5.7047 3 1523.2593E32  595161404891278 0    881177 0      C-13-H3C(O)CH3
  949435.1140  0.0806 -4.9292 3 1523.2593E32  595161404891178 0    881177 0      C-13-H3C(O)CH3
  949435.1140  0.0806 -5.7047 3 1523.2593E32  595161404891178 0    881277 0      C-13-H3C(O)CH3
  949466.4200  0.0138 -4.6904 3  426.2126648  595161404402614 0    392317 0      C-13-H3C(O)CH3
  949469.5976  0.0852 -5.1332 3 1523.2597E32  595161404891278 1    881177 1      C-13-H3C(O)CH3
  949469.5976  0.0852 -5.1947 3 1523.2597E32  595161404891278 1    881277 1      C-13-H3C(O)CH3
  949469.5976  0.0852 -5.1332 3 1523.2597E32  595161404891178 1    881277 1      C-13-H3C(O)CH3
  949469.5976  0.0852 -5.1947 3 1523.2597E32  595161404891178 1    881177 1      C-13-H3C(O)CH3
  949469.6464  0.0819 -5.3009 3 1523.2595E32  595161404891178 2    881277 2      C-13-H3C(O)CH3
  949469.6464  0.0819 -5.0583 3 1523.2595E32  595161404891178 2    881177 2      C-13-H3C(O)CH3
  949469.6464  0.0819 -5.3009 3 1523.2595E32  595161404891278 2    881177 2      C-13-H3C(O)CH3
  949469.6464  0.0819 -5.0583 3 1523.2595E32  595161404891278 2    881277 2      C-13-H3C(O)CH3
  949504.1551  0.0808 -5.1679 3 1523.2600716  595161404891178 3    881277 3      C-13-H3C(O)CH3
  949504.1551  0.0808 -5.1679 3 1523.2600716  595161404891278 3    881177 3      C-13-H3C(O)CH3
  949504.2006  0.0808 -5.4557 3 1523.2600716  595161404891178 4    881177 4      C-13-H3C(O)CH3
  949504.2006  0.0808 -5.4723 3 1523.2600716  595161404891178 4    881277 4      C-13-H3C(O)CH3
  949504.2006  0.0808 -5.4557 3 1523.2600716  595161404891278 4    881277 4      C-13-H3C(O)CH3
  949504.2006  0.0808 -5.4723 3 1523.2600716  595161404891278 4    881177 4      C-13-H3C(O)CH3
  949524.8911  0.0218 -4.1588 3  563.1465744  595161404462819 2    452520 2      C-13-H3C(O)CH3
  949569.0353  0.0940 -4.7261 3 1299.2538B60  595161404723142 0    713041 0      C-13-H3C(O)CH3
  949569.0353  0.0940 -4.7276 3 1299.2538B60  595161404723042 0    713141 0      C-13-H3C(O)CH3
  949569.1107  0.0944 -4.7256 3 1299.2720B60  595161404723142 1    713041 1      C-13-H3C(O)CH3
  949569.1107  0.0944 -4.7256 3 1299.2720B60  595161404723042 1    713141 1      C-13-H3C(O)CH3
  949571.5063  0.0963 -4.7265 3 1299.2742B60  595161404723142 2    713041 2      C-13-H3C(O)CH3
  949571.5063  0.0963 -4.7284 3 1299.2742B60  595161404723042 2    713141 2      C-13-H3C(O)CH3
  949571.5858  0.0844 -5.0268 3 1299.2924580  595161404723142 4    713041 4      C-13-H3C(O)CH3
  949571.5858  0.0844 -5.0266 3 1299.2924580  595161404723042 4    713141 4      C-13-H3C(O)CH3
  949571.5909  0.0844 -5.0267 3 1299.2924580  595161404723142 3    713041 3      C-13-H3C(O)CH3
  949571.5909  0.0844 -5.0267 3 1299.2924580  595161404723042 3    713141 3      C-13-H3C(O)CH3
  949623.6805  0.0143 -4.6910 3  426.1915648  595161404402614 1    392317 1      C-13-H3C(O)CH3
  949744.9669  0.0141 -4.4602 3  563.1279372  595161404462819 4    452520 4      C-13-H3C(O)CH3
  949772.2143  0.0147 -4.4601 3  563.1278372  595161404462819 3    452520 3      C-13-H3C(O)CH3
  949801.5077  0.0246 -5.3758 3  410.8418316  595161404392713 4    382415 4      C-13-H3C(O)CH3
  949821.4136  0.1242 -5.4677 3 1458.2272D20  595161404822063 0    811962 0      C-13-H3C(O)CH3
  949821.4136  0.1242 -5.4677 3 1458.2272D20  595161404821963 0    812062 0      C-13-H3C(O)CH3
  949821.4136  0.1242 -4.9488 3 1458.2272D20  595161404821963 0    811962 0      C-13-H3C(O)CH3
  949821.4136  0.1242 -4.9488 3 1458.2272D20  595161404822063 0    812062 0      C-13-H3C(O)CH3
  949837.2877  0.1282 -4.8725 3 1458.2468D20  595161404821963 1    812062 1      C-13-H3C(O)CH3
  949837.2877  0.1282 -5.9052 3 1458.2468D20  595161404822063 1    812062 1      C-13-H3C(O)CH3
  949837.2877  0.1282 -4.8725 3 1458.2468D20  595161404822063 1    811962 1      C-13-H3C(O)CH3
  949837.2877  0.1282 -5.9052 3 1458.2468D20  595161404821963 1    811962 1      C-13-H3C(O)CH3
  949840.2145  0.1308 -4.9503 3 1458.2478D20  595161404821963 2    811962 2      C-13-H3C(O)CH3
  949840.2145  0.1308 -5.4630 3 1458.2478D20  595161404821963 2    812062 2      C-13-H3C(O)CH3
  949840.2145  0.1308 -5.4630 3 1458.2478D20  595161404822063 2    811962 2      C-13-H3C(O)CH3
  949840.2145  0.1308 -4.9503 3 1458.2478D20  595161404822063 2    812062 2      C-13-H3C(O)CH3
  949842.3144  0.0170 -5.2488 3  410.8636632  595161404392713 1    382415 1      C-13-H3C(O)CH3
  949856.1143  0.0997 -5.1360 3 1458.2675660  595161404822063 3    811962 3      C-13-H3C(O)CH3
  949856.1143  0.0997 -5.1360 3 1458.2675660  595161404821963 3    812062 3      C-13-H3C(O)CH3
  949856.1421  0.0997 -5.6677 3 1458.2675660  595161404821963 4    811962 4      C-13-H3C(O)CH3
  949856.1421  0.0997 -5.2858 3 1458.2675660  595161404821963 4    812062 4      C-13-H3C(O)CH3
  949856.1421  0.0997 -5.2858 3 1458.2675660  595161404822063 4    811962 4      C-13-H3C(O)CH3
  949856.1421  0.0997 -5.6677 3 1458.2675660  595161404822063 4    812062 4      C-13-H3C(O)CH3
  949861.7458  0.0159 -4.6956 3  426.1860648  595161404402614 2    392317 2      C-13-H3C(O)CH3
  949873.3163  0.0089 -3.5044 3  738.2690792 -5951614044944 6 0    4843 6 0      C-13-H3C(O)CH3
  949873.3163  0.0089 -3.5044 3  738.2690792 -5951614044944 5 0    4843 5 0      C-13-H3C(O)CH3
  949883.6326  0.0717 -4.6902 3 1211.9917A96  595161404683434 0    673533 0      C-13-H3C(O)CH3
  949886.4811  0.0718 -4.6902 3 1211.9916A96  595161404683534 0    673433 0      C-13-H3C(O)CH3
  949892.3618  0.0353 -5.1791 3 1553.9082772  59516140496 493 4    95 492 4      C-13-H3C(O)CH3
  949892.3618  0.0353 -5.1791 3 1553.9082772  59516140496 393 4    95 392 4      C-13-H3C(O)CH3
  949892.4000  0.0353 -5.2590 3 1553.9082772  59516140496 393 3    95 492 3      C-13-H3C(O)CH3
  949892.4000  0.0353 -5.7563 3 1553.9082772  59516140496 393 3    95 392 3      C-13-H3C(O)CH3
  949892.4000  0.0353 -5.7563 3 1553.9082772  59516140496 493 3    95 492 3      C-13-H3C(O)CH3
  949892.4000  0.0353 -5.2590 3 1553.9082772  59516140496 493 3    95 392 3      C-13-H3C(O)CH3
  949897.0587  0.0712 -4.6903 3 1212.0062A96  595161404683434 1    673533 1      C-13-H3C(O)CH3
  949898.1477  0.0741 -4.6903 3 1212.0089A96  595161404683434 2    673533 2      C-13-H3C(O)CH3
  949900.3003  0.0712 -4.6903 3 1212.0061A96  595161404683534 1    673433 1      C-13-H3C(O)CH3
  949901.1498  0.0740 -4.6902 3 1212.0088A96  595161404683534 2    673433 2      C-13-H3C(O)CH3
  949907.7747  0.0105 -3.5044 3  738.2875792 -5951614044944 5 2    4843 5 2      C-13-H3C(O)CH3
  949908.7153  0.0466 -5.2372 3 1553.9384F44  59516140496 493 1    95 392 1      C-13-H3C(O)CH3
  949908.7153  0.0466 -5.2372 3 1553.9384F44  59516140496 393 1    95 492 1      C-13-H3C(O)CH3
  949908.7153  0.0466 -5.0591 3 1553.9384F44  59516140496 393 1    95 392 1      C-13-H3C(O)CH3
  949908.7153  0.0466 -5.0591 3 1553.9384F44  59516140496 493 1    95 492 1      C-13-H3C(O)CH3
  949908.7269  0.0491 -5.3379 3 1553.9381F44  59516140496 493 2    95 392 2      C-13-H3C(O)CH3
  949908.7269  0.0491 -5.0032 3 1553.9381F44  59516140496 393 2    95 392 2      C-13-H3C(O)CH3
  949908.7269  0.0491 -5.0032 3 1553.9381F44  59516140496 493 2    95 492 2      C-13-H3C(O)CH3
  949908.7269  0.0491 -5.3379 3 1553.9381F44  59516140496 393 2    95 492 2      C-13-H3C(O)CH3
  949911.6008  0.0692 -4.9914 3 1212.0235548  595161404683434 3    673533 3      C-13-H3C(O)CH3
  949911.6129  0.0692 -4.9914 3 1212.0235548  595161404683434 4    673533 4      C-13-H3C(O)CH3
  949915.0147  0.0690 -4.9914 3 1212.0234548  595161404683534 3    673433 3      C-13-H3C(O)CH3
  949915.0174  0.0690 -4.9914 3 1212.0234548  595161404683534 4    673433 4      C-13-H3C(O)CH3
  949920.0654  0.0097 -3.5043 3  738.3080792 -5951614044944 5 1    4843 5 1      C-13-H3C(O)CH3
  949925.0512  0.0385 -5.1663 3 1553.9684F44  59516140496 493 0    95 392 0      C-13-H3C(O)CH3
  949925.0512  0.0385 -5.1136 3 1553.9684F44  59516140496 493 0    95 492 0      C-13-H3C(O)CH3
  949925.0512  0.0385 -5.1663 3 1553.9684F44  59516140496 393 0    95 492 0      C-13-H3C(O)CH3
  949925.0512  0.0385 -5.1136 3 1553.9684F44  59516140496 393 0    95 392 0      C-13-H3C(O)CH3
  949950.6328  0.0135 -4.9915 3  426.1649324  595161404402614 3    392317 3      C-13-H3C(O)CH3
  949954.3340  0.0149 -3.8054 3  738.3264396  5951614044944 5 4    4843 5 4      C-13-H3C(O)CH3
  949971.4294  0.0103 -3.5043 3  738.2648792 -5951614044944 6 2    4843 6 2      C-13-H3C(O)CH3
  949974.4853  0.1174 -4.6870 3 1132.1488A48  595161404653729 0    643628 0      C-13-H3C(O)CH3
  950001.9275  0.0219 -5.1225 3  410.8620632  595161404392713 2    382415 2      C-13-H3C(O)CH3
  950017.6518  0.0146 -3.8053 3  738.3037396  5951614044944 5 3    4843 5 3      C-13-H3C(O)CH3
  950038.7092  0.0099 -3.5042 3  738.2705792 -5951614044944 6 1    4843 6 1      C-13-H3C(O)CH3
  950072.4191  0.0149 -3.8052 3  738.2890396  5951614044944 6 3    4843 6 3      C-13-H3C(O)CH3
  950078.7991  0.0186 -5.0022 3  426.1647324  595161404402614 4    392317 4      C-13-H3C(O)CH3
  950111.8835  0.1005 -4.8736 3 1319.4788B76  595161404733044 1    723043 1      C-13-H3C(O)CH3
  950111.8835  0.1005 -5.3144 3 1319.4788B76  595161404733044 1    722943 1      C-13-H3C(O)CH3
  950111.8835  0.1005 -4.8736 3 1319.4788B76  595161404732944 1    722943 1      C-13-H3C(O)CH3
  950111.8835  0.1005 -5.3144 3 1319.4788B76  595161404732944 1    723043 1      C-13-H3C(O)CH3
  950112.5054  0.0996 -4.7439 3 1319.4601B76  595161404732944 0    723043 0      C-13-H3C(O)CH3
  950112.5054  0.0996 -4.7439 3 1319.4601B76  595161404733044 0    722943 0      C-13-H3C(O)CH3
  950113.9716  0.0878 -5.0857 3 1319.4996588  595161404732944 4    722943 4      C-13-H3C(O)CH3
  950113.9716  0.0878 -5.0857 3 1319.4996588  595161404733044 4    723043 4      C-13-H3C(O)CH3
  950113.9754  0.0878 -5.0850 3 1319.4996588  595161404733044 3    722943 3      C-13-H3C(O)CH3
  950113.9754  0.0878 -5.0850 3 1319.4996588  595161404732944 3    723043 3      C-13-H3C(O)CH3
  950114.5881  0.1019 -4.7798 3 1319.4809B76  595161404732944 2    723043 2      C-13-H3C(O)CH3
  950114.5881  0.1019 -5.7899 3 1319.4809B76  595161404732944 2    722943 2      C-13-H3C(O)CH3
  950114.5881  0.1019 -5.7899 3 1319.4809B76  595161404733044 2    723043 2      C-13-H3C(O)CH3
  950114.5881  0.1019 -4.7798 3 1319.4809B76  595161404733044 2    722943 2      C-13-H3C(O)CH3
  950129.3243  0.1122 -4.6872 3 1132.1568A48  595161404653729 2    643628 2      C-13-H3C(O)CH3
  950136.2428  0.0155 -3.8052 3  738.2663396  5951614044944 6 4    4843 6 4      C-13-H3C(O)CH3
  950173.4320  0.1008 -4.6873 3 1132.1524A48  595161404653729 1    643628 1      C-13-H3C(O)CH3
  950189.4509  0.0149 -4.7386 3  410.8833632  595161404392712 0    382415 0      C-13-H3C(O)CH3
  950269.1685  0.0270 -5.5717 3  410.8425316  595161404392713 3    382415 3      C-13-H3C(O)CH3
  950330.8311  0.0775 -4.9885 3 1132.1603524  595161404653729 4    643628 4      C-13-H3C(O)CH3
  950332.2583  0.0804 -4.9885 3 1132.1603524  595161404653729 3    643628 3      C-13-H3C(O)CH3
  950395.4527  0.0214 -4.8974 3  410.8636632  595161404392712 1    382415 1      C-13-H3C(O)CH3
  950603.3650  0.0187 -5.4682 3  343.8321284  5951614043528 8 3    3425 9 3      C-13-H3C(O)CH3
  950604.3699  0.0202 -5.4714 3  343.8244284  5951614043528 8 4    342510 4      C-13-H3C(O)CH3
  950632.6185  0.0789 -5.1110 3 1532.9082E48  595161404901080 0    891179 0      C-13-H3C(O)CH3
  950632.6185  0.0789 -5.1110 3 1532.9082E48  595161404901180 0    891079 0      C-13-H3C(O)CH3
  950632.6185  0.0789 -5.2369 3 1532.9082E48  595161404901180 0    891179 0      C-13-H3C(O)CH3
  950632.6185  0.0789 -5.2369 3 1532.9082E48  595161404901080 0    891079 0      C-13-H3C(O)CH3
  950666.2396  0.0851 -4.8773 3 1532.9033E48  595161404901180 2    891179 2      C-13-H3C(O)CH3
  950666.2396  0.0851 -4.8773 3 1532.9033E48  595161404901080 2    891079 2      C-13-H3C(O)CH3
  950666.3659  0.0907 -4.8852 3 1532.9036E48  595161404901180 1    891179 1      C-13-H3C(O)CH3
  950666.3659  0.0907 -4.8852 3 1532.9036E48  595161404901080 1    891079 1      C-13-H3C(O)CH3
  950700.0075  0.0790 -5.2041 3 1532.8987724  595161404901180 3    891179 3      C-13-H3C(O)CH3
  950700.0075  0.0790 -5.2041 3 1532.8987724  595161404901080 3    891079 3      C-13-H3C(O)CH3
  950700.0508  0.0790 -5.5294 3 1532.8987724  595161404901080 4    891179 4      C-13-H3C(O)CH3
  950700.0508  0.0790 -5.5294 3 1532.8987724  595161404901180 4    891079 4      C-13-H3C(O)CH3
  950700.0508  0.0790 -5.4184 3 1532.8987724  595161404901180 4    891179 4      C-13-H3C(O)CH3
  950700.0508  0.0790 -5.4184 3 1532.8987724  595161404901080 4    891079 4      C-13-H3C(O)CH3
  950715.9407  0.0171 -5.1789 3  343.8472568  5951614043528 8 1    3425 9 1      C-13-H3C(O)CH3
  950756.4986  0.0091 -4.6321 3  360.0586324  595161404401427 4    391128 4      C-13-H3C(O)CH3
  950756.4986  0.0091 -5.1936 3  360.0586324  595161404401327 4    391128 4      C-13-H3C(O)CH3
  950756.4986  0.0091 -4.5341 3  360.0586324  595161404401327 4    391228 4      C-13-H3C(O)CH3
  950756.9175  0.0089 -5.6097 3  360.0586324  595161404401327 3    391128 3      C-13-H3C(O)CH3
  950756.9175  0.0089 -4.5643 3  360.0586324  595161404401327 3    391228 3      C-13-H3C(O)CH3
  950756.9175  0.0089 -4.5644 3  360.0586324  595161404401427 3    391128 3      C-13-H3C(O)CH3
  950756.9175  0.0089 -5.6089 3  360.0586324  595161404401427 3    391228 3      C-13-H3C(O)CH3
  950764.2278  0.0316 -5.1895 3  410.8425316  595161404392712 3    382415 3      C-13-H3C(O)CH3
  950775.2085  0.1065 -4.7593 3 1339.0849B92  595161404742946 1    732945 1      C-13-H3C(O)CH3
  950775.2085  0.1065 -4.7593 3 1339.0849B92  595161404742846 1    732845 1      C-13-H3C(O)CH3
  950775.9862  0.1051 -4.7538 3 1339.0658B92  595161404742946 0    732945 0      C-13-H3C(O)CH3
  950775.9862  0.1051 -4.7655 3 1339.0658B92  595161404742846 0    732845 0      C-13-H3C(O)CH3
  950777.4223  0.0911 -5.6241 3 1339.1062596  595161404742946 4    732945 4      C-13-H3C(O)CH3
  950777.4223  0.0911 -5.1914 3 1339.1062596  595161404742946 4    732845 4      C-13-H3C(O)CH3
  950777.4223  0.0911 -5.6241 3 1339.1062596  595161404742846 4    732845 4      C-13-H3C(O)CH3
  950777.4223  0.0911 -5.1914 3 1339.1062596  595161404742846 4    732945 4      C-13-H3C(O)CH3
  950777.4242  0.0911 -5.2853 3 1339.1061596  595161404742946 3    732945 3      C-13-H3C(O)CH3
  950777.4242  0.0911 -5.4404 3 1339.1061596  595161404742846 3    732945 3      C-13-H3C(O)CH3
  950777.4242  0.0911 -5.2853 3 1339.1061596  595161404742846 3    732845 3      C-13-H3C(O)CH3
  950777.4242  0.0911 -5.4404 3 1339.1061596  595161404742946 3    732845 3      C-13-H3C(O)CH3
  950778.1920  0.1076 -5.3758 3 1339.0870B92  595161404742946 2    732845 2      C-13-H3C(O)CH3
  950778.1920  0.1076 -5.3758 3 1339.0870B92  595161404742846 2    732945 2      C-13-H3C(O)CH3
  950778.1920  0.1076 -4.8723 3 1339.0870B92  595161404742846 2    732845 2      C-13-H3C(O)CH3
  950778.1920  0.1076 -4.8723 3 1339.0870B92  595161404742946 2    732945 2      C-13-H3C(O)CH3
  950827.5490  0.0087 -4.2259 3  360.0838648  595161404401327 2    391128 2      C-13-H3C(O)CH3
  950827.5490  0.0087 -4.2259 3  360.0838648  595161404401427 2    391228 2      C-13-H3C(O)CH3
  950834.2095  0.0088 -4.5426 3  360.0849648  595161404401427 1    391228 1      C-13-H3C(O)CH3
  950834.2095  0.0088 -4.5117 3  360.0849648  595161404401427 1    391128 1      C-13-H3C(O)CH3
  950834.2095  0.0088 -4.5115 3  360.0849648  595161404401327 1    391228 1      C-13-H3C(O)CH3
  950834.2095  0.0088 -4.5428 3  360.0849648  595161404401327 1    391128 1      C-13-H3C(O)CH3
  950903.0652  0.1226 -5.5206 3 1472.1954D36  595161404831965 0    821964 0      C-13-H3C(O)CH3
  950903.0652  0.1226 -5.5206 3 1472.1954D36  595161404831865 0    821864 0      C-13-H3C(O)CH3
  950903.0652  0.1226 -4.9495 3 1472.1954D36  595161404831965 0    821864 0      C-13-H3C(O)CH3
  950903.0652  0.1226 -4.9495 3 1472.1954D36  595161404831865 0    821964 0      C-13-H3C(O)CH3
  950904.7493  0.0074 -4.9646 3  360.1101648  595161404401327 0    391128 0      C-13-H3C(O)CH3
  950904.7493  0.0074 -4.3104 3  360.1101648  595161404401427 0    391128 0      C-13-H3C(O)CH3
  950904.7493  0.0074 -4.3134 3  360.1101648  595161404401327 0    391228 0      C-13-H3C(O)CH3
  950904.7493  0.0074 -4.9787 3  360.1101648  595161404401427 0    391228 0      C-13-H3C(O)CH3
  950921.7344  0.1259 -4.8531 3 1472.2144D36  595161404831865 1    821864 1      C-13-H3C(O)CH3
  950921.7344  0.1259 -4.8531 3 1472.2144D36  595161404831965 1    821964 1      C-13-H3C(O)CH3
  950924.3746  0.1290 -4.8463 3 1472.2152D36  595161404831965 2    821964 2      C-13-H3C(O)CH3
  950924.3746  0.1290 -4.8463 3 1472.2152D36  595161404831865 2    821864 2      C-13-H3C(O)CH3
  950943.0711  0.0992 -5.1616 3 1472.2342668  595161404831865 3    821964 3      C-13-H3C(O)CH3
  950943.0711  0.0992 -5.1616 3 1472.2342668  595161404831965 3    821864 3      C-13-H3C(O)CH3
  950943.1021  0.0992 -5.6339 3 1472.2342668  595161404831865 4    821964 4      C-13-H3C(O)CH3
  950943.1021  0.0992 -5.3187 3 1472.2342668  595161404831865 4    821864 4      C-13-H3C(O)CH3
  950943.1021  0.0992 -5.6339 3 1472.2342668  595161404831965 4    821864 4      C-13-H3C(O)CH3
  950943.1021  0.0992 -5.3187 3 1472.2342668  595161404831965 4    821964 4      C-13-H3C(O)CH3
  950974.1950  0.0169 -5.1698 3  343.8639568  5951614043528 7 2    3425 9 2      C-13-H3C(O)CH3
  950977.9428  0.0312 -4.9708 3  410.8620632  595161404392712 2    382415 2      C-13-H3C(O)CH3
  950979.4738  0.0167 -5.1726 3  343.8561568  5951614043528 8 2    342510 2      C-13-H3C(O)CH3
  951013.5251  0.0207 -5.4680 3  343.8305284  5951614043528 7 4    3425 9 4      C-13-H3C(O)CH3
  951014.5239  0.0296 -4.6237 3  475.4505680  595161404422815 0    412516 0      C-13-H3C(O)CH3
  951016.7199  0.0189 -5.4703 3  343.8227284  5951614043528 7 3    342510 3      C-13-H3C(O)CH3
  951084.5772  0.0167 -5.1722 3  343.8789568  5951614043528 8 0    3425 9 0      C-13-H3C(O)CH3
  951099.4214  0.0167 -5.1722 3  343.8784568  5951614043528 7 0    342510 0      C-13-H3C(O)CH3
  951126.1940  0.0172 -5.1782 3  343.8455568  5951614043528 7 1    342510 1      C-13-H3C(O)CH3
  951186.0111  0.0245 -5.1737 3 1559.3046780  59516140497 395 4    96 394 4      C-13-H3C(O)CH3
  951186.0111  0.0245 -5.1737 3 1559.3046780  59516140497 295 4    96 294 4      C-13-H3C(O)CH3
  951186.0246  0.0245 -5.1844 3 1559.3045780  59516140497 295 3    96 394 3      C-13-H3C(O)CH3
  951186.0246  0.0245 -5.1844 3 1559.3045780  59516140497 395 3    96 294 3      C-13-H3C(O)CH3
  951197.9376  0.0280 -4.6567 3  475.4300680  595161404422815 1    412516 1      C-13-H3C(O)CH3
  951208.4424  0.0310 -5.2323 3 1559.3209F60  59516140497 395 2    96 294 2      C-13-H3C(O)CH3
  951208.4424  0.0310 -5.2323 3 1559.3209F60  59516140497 295 2    96 394 2      C-13-H3C(O)CH3
  951208.4741  0.0248 -4.8387 3 1559.3215F60 -59516140497 295 1    96 394 1      C-13-H3C(O)CH3
  951208.4741  0.0310 -5.0618 3 1559.3209F60 -59516140497 295 2    96 294 2      C-13-H3C(O)CH3
  951208.4741  0.0248 -4.8387 3 1559.3215F60 -59516140497 395 1    96 294 1      C-13-H3C(O)CH3
  951208.4741  0.0310 -5.0618 3 1559.3209F60 -59516140497 395 2    96 394 2      C-13-H3C(O)CH3
  951231.0325  0.0226 -5.0964 3 1559.3378F60  59516140497 395 0    96 394 0      C-13-H3C(O)CH3
  951231.0325  0.0226 -5.1857 3 1559.3378F60  59516140497 295 0    96 394 0      C-13-H3C(O)CH3
  951231.2204  0.0226 -5.0964 3 1559.3378F60 -59516140497 295 0    96 294 0      C-13-H3C(O)CH3
  951231.2204  0.0226 -5.1857 3 1559.3378F60 -59516140497 395 0    96 294 0      C-13-H3C(O)CH3
  951273.4039  0.0375 -5.3067 3  410.8418316  595161404392712 4    382415 4      C-13-H3C(O)CH3
  951285.7829  0.1381 -4.4879 3  699.5226412  595161404513120 3    503021 3      C-13-H3C(O)CH3
  951334.6758  0.1317 -4.4885 3  699.5221412  595161404513120 4    503021 4      C-13-H3C(O)CH3
  951366.6606  0.0662 -4.6937 3 1188.3609A80  595161404673532 0    663631 0      C-13-H3C(O)CH3
  951387.4112  0.0657 -4.6938 3 1188.3736A80  595161404673532 1    663631 1      C-13-H3C(O)CH3
  951389.7388  0.0689 -4.6938 3 1188.3765A80  595161404673532 2    663631 2      C-13-H3C(O)CH3
  951410.4176  0.0656 -4.9950 3 1188.3891540  595161404673532 3    663631 3      C-13-H3C(O)CH3
  951410.5163  0.0655 -4.9950 3 1188.3891540  595161404673532 4    663631 4      C-13-H3C(O)CH3
  951452.9157  0.0671 -4.6936 3 1188.3587A80  595161404673632 0    663531 0      C-13-H3C(O)CH3
  951479.8712  0.0671 -4.6937 3 1188.3742A80  595161404673632 2    663531 2      C-13-H3C(O)CH3
  951481.4151  0.0656 -4.6937 3 1188.3711A80  595161404673632 1    663531 1      C-13-H3C(O)CH3
  951503.7357  0.1198 -5.5070 3  775.7535856  595161404533618 2    523517 2      C-13-H3C(O)CH3
  951508.5669  0.0626 -4.9949 3 1188.3866540  595161404673632 4    663531 4      C-13-H3C(O)CH3
  951508.6050  0.0625 -4.9949 3 1188.3866540  595161404673632 3    663531 3      C-13-H3C(O)CH3
  951530.1991  0.1123 -5.2264 3 1358.1029C08  595161404752848 1    742747 1      C-13-H3C(O)CH3
  951530.1991  0.1123 -4.7755 3 1358.1029C08  595161404752748 1    742747 1      C-13-H3C(O)CH3
  951530.1991  0.1123 -4.9549 3 1358.1029C08  595161404752848 1    742847 1      C-13-H3C(O)CH3
  951530.6796  0.1104 -4.7802 3 1358.0835C08  595161404752748 0    742747 0      C-13-H3C(O)CH3
  951530.6796  0.1104 -4.7802 3 1358.0835C08  595161404752848 0    742847 0      C-13-H3C(O)CH3
  951532.9547  0.0942 -5.2939 3 1358.1245604  595161404752748 3    742847 3      C-13-H3C(O)CH3
  951532.9547  0.0942 -5.3831 3 1358.1245604  595161404752748 3    742747 3      C-13-H3C(O)CH3
  951532.9547  0.0942 -5.3589 3 1358.1245604  595161404752848 3    742747 3      C-13-H3C(O)CH3
  951532.9547  0.0942 -5.4645 3 1358.1245604  595161404752848 3    742847 3      C-13-H3C(O)CH3
  951532.9550  0.0942 -5.2046 3 1358.1245604  595161404752748 4    742847 4      C-13-H3C(O)CH3
  951532.9550  0.0942 -5.6437 3 1358.1245604  595161404752848 4    742847 4      C-13-H3C(O)CH3
  951532.9550  0.0942 -5.2046 3 1358.1245604  595161404752848 4    742747 4      C-13-H3C(O)CH3
  951532.9550  0.0942 -5.6437 3 1358.1245604  595161404752748 4    742747 4      C-13-H3C(O)CH3
  951533.4242  0.1132 -5.2456 3 1358.1050C08  595161404752848 2    742747 2      C-13-H3C(O)CH3
  951533.4242  0.1132 -5.2456 3 1358.1050C08  595161404752748 2    742847 2      C-13-H3C(O)CH3
  951533.4242  0.1132 -4.9450 3 1358.1050C08  595161404752748 2    742747 2      C-13-H3C(O)CH3
  951533.4242  0.1132 -4.9450 3 1358.1050C08  595161404752848 2    742847 2      C-13-H3C(O)CH3
  951563.5302  0.0096 -3.5658 3  744.7589808 -5951614045042 8 2    4941 8 2      C-13-H3C(O)CH3
  951578.2348  0.0070 -3.5656 3  744.7387808 -5951614045042 9 0    4941 8 0      C-13-H3C(O)CH3
  951578.2348  0.0070 -3.5656 3  744.7387808 -5951614045042 8 0    4941 9 0      C-13-H3C(O)CH3
  951593.8557  0.0137 -3.8668 3  744.7870404  5951614045042 8 4    4941 8 4      C-13-H3C(O)CH3
  951608.9681  0.0083 -3.5656 3  744.7670808 -5951614045042 8 1    4941 8 1      C-13-H3C(O)CH3
  951631.8811  0.0217 -5.9900 3  791.0244436  595161404543421 4    533321 4      C-13-H3C(O)CH3
  951656.0057  0.0086 -3.5657 3  744.7510808 -5951614045042 9 2    4941 9 2      C-13-H3C(O)CH3
  951662.5926  0.0431 -5.0509 3  475.3950340  595161404422815 4    412516 4      C-13-H3C(O)CH3
  951671.5451  0.1267 -4.4572 3  729.4231420  595161404523220 3    513121 3      C-13-H3C(O)CH3
  951686.1370  0.0126 -3.8668 3  744.7793404  5951614045042 8 3    4941 8 3      C-13-H3C(O)CH3
  951691.9943  0.0427 -4.6985 3  475.4154680  595161404422815 2    412516 2      C-13-H3C(O)CH3
  951693.6820  0.0132 -3.8667 3  744.7616404  5951614045042 9 3    4941 9 3      C-13-H3C(O)CH3
  951701.3846  0.1367 -4.1894 3  699.5274824  595161404513120 2    503021 2      C-13-H3C(O)CH3
  951708.9028  0.0079 -3.5656 3  744.7415808 -5951614045042 9 1    4941 9 1      C-13-H3C(O)CH3
  951718.3830  0.2803 -4.6545 3 1069.2574A16  595161404633727 0    623626 0      C-13-H3C(O)CH3
  951733.6613  0.0929 -5.3066 3  775.7409856  595161404533618 1    523517 1      C-13-H3C(O)CH3
  951753.9124  0.1160 -4.4587 3  729.4221420  595161404523220 4    513121 4      C-13-H3C(O)CH3
  951786.6035  0.0123 -3.8667 3  744.7537404  5951614045042 9 4    4941 9 4      C-13-H3C(O)CH3
  951844.6988  0.0796 -4.9588 3 1542.0279E64  59516140491 982 0    901081 0      C-13-H3C(O)CH3
  951844.6988  0.0796 -5.6256 3 1542.0279E64  59516140491 982 0    90 981 0      C-13-H3C(O)CH3
  951844.6988  0.0796 -5.6256 3 1542.0279E64  595161404911082 0    901081 0      C-13-H3C(O)CH3
  951844.6988  0.0796 -4.9588 3 1542.0279E64  595161404911082 0    90 981 0      C-13-H3C(O)CH3
  951867.8068  0.0791 -4.1902 3  699.5296824  595161404513120 1    503021 1      C-13-H3C(O)CH3
  951876.0498  0.0923 -5.1305 3 1542.0173E64  595161404911082 2    90 981 2      C-13-H3C(O)CH3
  951876.0498  0.0923 -5.2248 3 1542.0173E64  59516140491 982 2    90 981 2      C-13-H3C(O)CH3
  951876.0498  0.0923 -5.1305 3 1542.0173E64  59516140491 982 2    901081 2      C-13-H3C(O)CH3
  951876.0498  0.0923 -5.2248 3 1542.0173E64  595161404911082 2    901081 2      C-13-H3C(O)CH3
  951876.2589  0.0993 -5.8298 3 1542.0175E64  595161404911082 1    901081 1      C-13-H3C(O)CH3
  951876.2589  0.0993 -4.9250 3 1542.0175E64  595161404911082 1    90 981 1      C-13-H3C(O)CH3
  951876.2589  0.0993 -5.8298 3 1542.0175E64  59516140491 982 1    90 981 1      C-13-H3C(O)CH3
  951876.2589  0.0993 -4.9250 3 1542.0175E64  59516140491 982 1    901081 1      C-13-H3C(O)CH3
  951907.6249  0.0773 -5.2339 3 1542.0069732  59516140491 982 3    90 981 3      C-13-H3C(O)CH3
  951907.6249  0.0773 -5.2339 3 1542.0069732  595161404911082 3    901081 3      C-13-H3C(O)CH3
  951907.6632  0.0773 -5.1886 3 1542.0069732  59516140491 982 4    90 981 4      C-13-H3C(O)CH3
  951907.6632  0.0773 -5.1886 3 1542.0069732  595161404911082 4    901081 4      C-13-H3C(O)CH3
  952001.9541  0.1198 -4.8642 3 1485.6227D52  595161404841867 0    831766 0      C-13-H3C(O)CH3
  952001.9541  0.1198 -4.8642 3 1485.6227D52  595161404841767 0    831866 0      C-13-H3C(O)CH3
  952013.8118  0.1228 -4.1592 3  729.4241840  595161404523220 2    513121 2      C-13-H3C(O)CH3
  952023.5236  0.1219 -5.0912 3 1485.6407D52  595161404841767 1    831766 1      C-13-H3C(O)CH3
  952023.5236  0.1219 -5.2393 3 1485.6407D52  595161404841767 1    831866 1      C-13-H3C(O)CH3
  952023.5236  0.1219 -5.2393 3 1485.6407D52  595161404841867 1    831766 1      C-13-H3C(O)CH3
  952023.5236  0.1219 -5.0912 3 1485.6407D52  595161404841867 1    831866 1      C-13-H3C(O)CH3
  952025.8258  0.1256 -4.8724 3 1485.6414D52  595161404841767 2    831766 2      C-13-H3C(O)CH3
  952025.8258  0.1256 -4.8724 3 1485.6414D52  595161404841867 2    831866 2      C-13-H3C(O)CH3
  952031.3682  0.1240 -4.4946 3  796.3243436  595161404543520 4    533419 4      C-13-H3C(O)CH3
  952047.4243  0.0982 -5.3918 3 1485.6593676  595161404841767 3    831766 3      C-13-H3C(O)CH3
  952047.4243  0.0982 -5.5410 3 1485.6593676  595161404841767 3    831866 3      C-13-H3C(O)CH3
  952047.4243  0.0982 -5.5410 3 1485.6593676  595161404841867 3    831766 3      C-13-H3C(O)CH3
  952047.4243  0.0982 -5.3918 3 1485.6593676  595161404841867 3    831866 3      C-13-H3C(O)CH3
  952047.4582  0.0982 -5.1713 3 1485.6593676  595161404841867 4    831766 4      C-13-H3C(O)CH3
  952047.4582  0.0982 -5.1713 3 1485.6593676  595161404841767 4    831866 4      C-13-H3C(O)CH3
  952123.6917  0.0756 -4.1599 3  729.4255840  595161404523220 1    513121 1      C-13-H3C(O)CH3
  952204.1109  0.0508 -4.9430 3  475.3948340  595161404422815 3    412516 3      C-13-H3C(O)CH3
  952248.9661  0.3275 -4.6547 3 1069.2512A16  595161404633727 2    623626 2      C-13-H3C(O)CH3
  952265.0567  0.0833 -4.1924 3  699.5347824  595161404513120 0    503021 0      C-13-H3C(O)CH3
  952352.8216  0.2459 -4.6546 3 1069.2458A16  595161404633727 1    623626 1      C-13-H3C(O)CH3
  952356.3017  0.1154 -5.7034 3 1376.5227C24  595161404762650 0    752749 0      C-13-H3C(O)CH3
  952356.3017  0.1154 -4.8396 3 1376.5227C24  595161404762650 0    752649 0      C-13-H3C(O)CH3
  952356.3017  0.1154 -4.8396 3 1376.5227C24  595161404762750 0    752749 0      C-13-H3C(O)CH3
  952356.3017  0.1154 -5.7034 3 1376.5227C24  595161404762750 0    752649 0      C-13-H3C(O)CH3
  952356.5150  0.1179 -4.8283 3 1376.5425C24  595161404762750 1    752749 1      C-13-H3C(O)CH3
  952356.5150  0.1179 -5.7961 3 1376.5425C24  595161404762750 1    752649 1      C-13-H3C(O)CH3
  952356.5150  0.1179 -5.7961 3 1376.5425C24  595161404762650 1    752749 1      C-13-H3C(O)CH3
  952356.5150  0.1179 -4.8283 3 1376.5425C24  595161404762650 1    752649 1      C-13-H3C(O)CH3
  952359.9383  0.1187 -4.7859 3 1376.5445C24  595161404762650 2    752749 2      C-13-H3C(O)CH3
  952359.9383  0.1187 -4.8032 3 1376.5445C24  595161404762750 2    752649 2      C-13-H3C(O)CH3
  952360.1638  0.0970 -5.1579 3 1376.5643612  595161404762650 3    752749 3      C-13-H3C(O)CH3
  952360.1638  0.0970 -5.8960 3 1376.5643612  595161404762750 3    752749 3      C-13-H3C(O)CH3
  952360.1638  0.0970 -5.1579 3 1376.5643612  595161404762750 3    752649 3      C-13-H3C(O)CH3
  952360.1638  0.0970 -5.8960 3 1376.5643612  595161404762650 3    752649 3      C-13-H3C(O)CH3
  952360.1667  0.0970 -5.0851 3 1376.5643612  595161404762650 4    752749 4      C-13-H3C(O)CH3
  952360.1667  0.0970 -5.0851 3 1376.5643612  595161404762750 4    752649 4      C-13-H3C(O)CH3
  952368.9912  0.0283 -4.0075 3  796.2834872 -595161404543520 0    533419 0      C-13-H3C(O)CH3
  952372.5791  0.0127 -3.8641 3  775.7048856 -595161404533618 0    523517 0      C-13-H3C(O)CH3
  952377.0229  0.0578 -4.0732 3  796.3028872  595161404543520 2    533419 2      C-13-H3C(O)CH3
  952402.7226  0.0071 -4.1040 3  430.7606680  595161404421824 0    411725 0      C-13-H3C(O)CH3
  952402.7470  0.0071 -4.1040 3  430.7606680  595161404421924 0    411625 0      C-13-H3C(O)CH3
  952428.1097  0.0400 -4.0514 3  796.2991872  595161404543520 1    533419 1      C-13-H3C(O)CH3
  952432.4879  0.0783 -4.1622 3  729.4270840  595161404523220 0    513121 0      C-13-H3C(O)CH3
  952449.2910  0.0089 -4.1038 3  430.7317680  595161404421824 2    411725 2      C-13-H3C(O)CH3
  952449.3183  0.0089 -4.1038 3  430.7317680  595161404421924 2    411625 2      C-13-H3C(O)CH3
  952458.3632  0.0081 -4.1037 3  430.7335680  595161404421824 1    411725 1      C-13-H3C(O)CH3
  952458.3893  0.0081 -4.1037 3  430.7335680  595161404421924 1    411625 1      C-13-H3C(O)CH3
  952499.8075  0.0224 -5.2157 3 1564.1881788  59516140498 297 3    97 296 3      C-13-H3C(O)CH3
  952499.8075  0.0224 -5.9205 3 1564.1881788  59516140498 297 3    97 196 3      C-13-H3C(O)CH3
  952499.8075  0.0224 -5.2157 3 1564.1881788  59516140498 197 3    97 196 3      C-13-H3C(O)CH3
  952499.8075  0.0224 -5.9205 3 1564.1881788  59516140498 197 3    97 296 3      C-13-H3C(O)CH3
  952499.8328  0.0224 -5.1795 3 1564.1882788  59516140498 297 4    97 196 4      C-13-H3C(O)CH3
  952499.8328  0.0224 -5.1795 3 1564.1882788  59516140498 197 4    97 296 4      C-13-H3C(O)CH3
  952504.9756  0.0099 -4.4045 3  430.7046340  595161404421824 4    411725 4      C-13-H3C(O)CH3
  952505.0045  0.0099 -4.4045 3  430.7046340  595161404421924 4    411625 4      C-13-H3C(O)CH3
  952505.0572  0.0099 -4.4045 3  430.7046340  595161404421824 3    411725 3      C-13-H3C(O)CH3
  952505.0863  0.0099 -4.4045 3  430.7046340  595161404421924 3    411625 3      C-13-H3C(O)CH3
  952520.0393  0.0323 -5.4040 3 1564.1767F76  59516140498 297 2    97 296 2      C-13-H3C(O)CH3
  952520.0393  0.0323 -4.9735 3 1564.1767F76  59516140498 297 2    97 196 2      C-13-H3C(O)CH3
  952520.0393  0.0323 -4.9735 3 1564.1767F76  59516140498 197 2    97 296 2      C-13-H3C(O)CH3
  952520.0393  0.0323 -5.4040 3 1564.1767F76  59516140498 197 2    97 196 2      C-13-H3C(O)CH3
  952520.3251  0.0245 -4.8570 3 1564.1772F76  59516140498 197 1    97 196 1      C-13-H3C(O)CH3
  952520.3251  0.0245 -4.8570 3 1564.1772F76  59516140498 297 1    97 296 1      C-13-H3C(O)CH3
  952525.3533  0.1204 -4.6437 3  775.7615428  595161404533618 3    523517 3      C-13-H3C(O)CH3
  952540.5082  0.0207 -4.8368 3 1564.1658F76  59516140498 197 0    97 196 0      C-13-H3C(O)CH3
  952540.5082  0.0207 -4.8368 3 1564.1658F76  59516140498 297 0    97 296 0      C-13-H3C(O)CH3
  952611.2290  0.0130 -3.8739 3  775.7535856 -595161404533617 2    523517 2      C-13-H3C(O)CH3
  952622.2298  0.0130 -3.8800 3  775.7409856 -595161404533617 1    523517 1      C-13-H3C(O)CH3
  952680.4158  0.1126 -4.2356 3  851.0119904  595161404563522 0    553421 0      C-13-H3C(O)CH3
  952689.9213  0.0181 -4.1681 3  775.7933428  595161404533617 4    523517 4      C-13-H3C(O)CH3
  952741.9950  0.0331 -5.7570 3  475.4300680  595161404422814 1    412516 1      C-13-H3C(O)CH3
  952749.3195  0.0126 -3.8638 3  775.6961856  595161404533617 0    523518 0      C-13-H3C(O)CH3
  952761.3993  0.0124 -3.8794 3  775.7066856 -595161404533618 1    523518 1      C-13-H3C(O)CH3
  952773.2599  0.0232 -4.3396 3  775.7615428  595161404533617 3    523517 3      C-13-H3C(O)CH3
  952793.1262  0.0125 -3.8732 3  775.7105856 -595161404533618 2    523518 2      C-13-H3C(O)CH3
  952868.3027  0.0093 -3.6400 3  753.0066824 -595161404514011 2    503911 2      C-13-H3C(O)CH3
  952883.5349  0.0129 -3.9412 3  753.0344412  595161404514011 4    503911 4      C-13-H3C(O)CH3
  952886.8258  0.2632 -4.9558 3 1069.2396508  595161404633727 4    623626 4      C-13-H3C(O)CH3
  952893.2589  0.0220 -4.3393 3  775.7492428  595161404533618 3    523518 3      C-13-H3C(O)CH3
  952893.7682  0.2710 -4.9558 3 1069.2394508  595161404633727 3    623626 3      C-13-H3C(O)CH3
  952904.4629  0.0064 -3.6398 3  752.9738824 -595161404514012 0    503911 0      C-13-H3C(O)CH3
  952904.4629  0.0064 -3.6398 3  752.9738824 -595161404514011 0    503912 0      C-13-H3C(O)CH3
  952909.5016  0.0286 -4.3089 3  796.3126436  595161404543520 3    533419 3      C-13-H3C(O)CH3
  952919.8790  0.0077 -3.6399 3  753.0016824 -595161404514011 1    503911 1      C-13-H3C(O)CH3
  952976.7524  0.0169 -4.1668 3  775.7175428  595161404533618 4    523518 4      C-13-H3C(O)CH3
  952990.4321  0.0124 -3.9411 3  753.0161412  595161404514012 3    503912 3      C-13-H3C(O)CH3
  953003.3249  0.0082 -3.6399 3  752.9991824 -595161404514012 2    503912 2      C-13-H3C(O)CH3
  953018.6450  0.0113 -3.9410 3  753.0270412  595161404514011 3    503911 3      C-13-H3C(O)CH3
  953026.5998  0.0078 -3.6398 3  752.9833824 -595161404514012 1    503912 1      C-13-H3C(O)CH3
  953071.7673  0.0815 -4.9060 3 1550.6192E80  59516140492 884 0    91 883 0      C-13-H3C(O)CH3
  953071.7673  0.0815 -4.8921 3 1550.6192E80  59516140492 984 0    91 983 0      C-13-H3C(O)CH3
  953084.9320  0.0105 -4.6827 3  320.2864316  595161404391129 4    38 830 4      C-13-H3C(O)CH3
  953084.9320  0.0105 -4.6704 3  320.2864316  595161404391029 4    38 930 4      C-13-H3C(O)CH3
  953085.5187  0.0099 -4.6812 3  320.2864316  595161404391029 3    38 930 3      C-13-H3C(O)CH3
  953085.5187  0.0099 -4.6832 3  320.2864316  595161404391129 3    38 830 3      C-13-H3C(O)CH3
  953099.2126  0.1008 -4.9514 3 1550.6024E80  59516140492 984 2    91 883 2      C-13-H3C(O)CH3
  953099.2126  0.1008 -5.6924 3 1550.6024E80  59516140492 984 2    91 983 2      C-13-H3C(O)CH3
  953099.2126  0.1008 -4.9514 3 1550.6024E80  59516140492 884 2    91 983 2      C-13-H3C(O)CH3
  953099.2126  0.1008 -5.6924 3 1550.6024E80  59516140492 884 2    91 883 2      C-13-H3C(O)CH3
  953099.4137  0.1079 -4.8915 3 1550.6026E80  59516140492 984 1    91 883 1      C-13-H3C(O)CH3
  953099.4137  0.1079 -4.8915 3 1550.6026E80  59516140492 884 1    91 983 1      C-13-H3C(O)CH3
  953116.8257  0.1157 -4.8852 3 1498.5111D68  595161404851669 0    841668 0      C-13-H3C(O)CH3
  953116.8257  0.1157 -4.8852 3 1498.5111D68  595161404851769 0    841768 0      C-13-H3C(O)CH3
  953125.8449  0.0114 -3.9409 3  753.0085412  595161404514012 4    503912 4      C-13-H3C(O)CH3
  953126.8688  0.0753 -5.1838 3 1550.5858740  59516140492 984 3    91 883 3      C-13-H3C(O)CH3
  953126.8688  0.0753 -5.1838 3 1550.5858740  59516140492 884 3    91 983 3      C-13-H3C(O)CH3
  953126.8985  0.0753 -5.5109 3 1550.5858740  59516140492 984 4    91 883 4      C-13-H3C(O)CH3
  953126.8985  0.0753 -5.4529 3 1550.5858740  59516140492 884 4    91 883 4      C-13-H3C(O)CH3
  953126.8985  0.0753 -5.5109 3 1550.5858740  59516140492 884 4    91 983 4      C-13-H3C(O)CH3
  953126.8985  0.0753 -5.4529 3 1550.5858740  59516140492 984 4    91 983 4      C-13-H3C(O)CH3
  953141.1655  0.1228 -4.6433 3  775.7492428  595161404533617 3    523518 3      C-13-H3C(O)CH3
  953141.3173  0.1163 -4.8729 3 1498.5278D68  595161404851669 1    841768 1      C-13-H3C(O)CH3
  953141.3173  0.1163 -4.8729 3 1498.5278D68  595161404851769 1    841668 1      C-13-H3C(O)CH3
  953143.2418  0.1203 -5.4721 3 1498.5282D68  595161404851769 2    841668 2      C-13-H3C(O)CH3
  953143.2418  0.1203 -4.9935 3 1498.5282D68  595161404851769 2    841768 2      C-13-H3C(O)CH3
  953143.2418  0.1203 -5.4721 3 1498.5282D68  595161404851669 2    841768 2      C-13-H3C(O)CH3
  953143.2418  0.1203 -4.9935 3 1498.5282D68  595161404851669 2    841668 2      C-13-H3C(O)CH3
  953167.7638  0.0968 -5.2656 3 1498.5448684  595161404851769 3    841768 3      C-13-H3C(O)CH3
  953167.7638  0.0968 -5.8741 3 1498.5448684  595161404851769 3    841668 3      C-13-H3C(O)CH3
  953167.7638  0.0968 -5.2656 3 1498.5448684  595161404851669 3    841668 3      C-13-H3C(O)CH3
  953167.7638  0.0968 -5.8741 3 1498.5448684  595161404851669 3    841768 3      C-13-H3C(O)CH3
  953167.8005  0.0968 -5.2836 3 1498.5449684  595161404851669 4    841768 4      C-13-H3C(O)CH3
  953167.8005  0.0968 -5.8080 3 1498.5449684  595161404851769 4    841768 4      C-13-H3C(O)CH3
  953167.8005  0.0968 -5.2836 3 1498.5449684  595161404851769 4    841668 4      C-13-H3C(O)CH3
  953167.8005  0.0968 -5.8080 3 1498.5449684  595161404851669 4    841668 4      C-13-H3C(O)CH3
  953238.2235  0.1201 -5.0927 3 1394.3913C40  595161404772652 0    762551 0      C-13-H3C(O)CH3
  953238.2235  0.1201 -5.1075 3 1394.3913C40  595161404772652 0    762651 0      C-13-H3C(O)CH3
  953238.2235  0.1201 -5.8499 3 1394.3913C40  595161404772552 0    762651 0      C-13-H3C(O)CH3
  953238.2235  0.1201 -4.8395 3 1394.3913C40  595161404772552 0    762551 0      C-13-H3C(O)CH3
  953239.4903  0.1232 -5.7308 3 1394.4114C40  595161404772552 1    762551 1      C-13-H3C(O)CH3
  953239.4903  0.1232 -4.8762 3 1394.4114C40  595161404772652 1    762651 1      C-13-H3C(O)CH3
  953239.4903  0.1232 -5.5878 3 1394.4114C40  595161404772552 1    762651 1      C-13-H3C(O)CH3
  953239.4903  0.1232 -4.8531 3 1394.4114C40  595161404772652 1    762551 1      C-13-H3C(O)CH3
  953243.0620  0.1239 -4.8305 3 1394.4133C40  595161404772552 2    762651 2      C-13-H3C(O)CH3
  953243.0620  0.1239 -5.9551 3 1394.4133C40  595161404772552 2    762551 2      C-13-H3C(O)CH3
  953243.0620  0.1239 -5.9551 3 1394.4133C40  595161404772652 2    762651 2      C-13-H3C(O)CH3
  953243.0620  0.1239 -4.8305 3 1394.4133C40  595161404772652 2    762551 2      C-13-H3C(O)CH3
  953244.3423  0.0995 -5.2458 3 1394.4335620  595161404772552 3    762651 3      C-13-H3C(O)CH3
  953244.3423  0.0995 -5.6454 3 1394.4335620  595161404772652 3    762651 3      C-13-H3C(O)CH3
  953244.3423  0.0995 -5.6454 3 1394.4335620  595161404772552 3    762551 3      C-13-H3C(O)CH3
  953244.3423  0.0995 -5.2458 3 1394.4335620  595161404772652 3    762551 3      C-13-H3C(O)CH3
  953244.3480  0.0995 -5.5082 3 1394.4335620  595161404772652 4    762651 4      C-13-H3C(O)CH3
  953244.3480  0.0995 -5.3154 3 1394.4335620  595161404772552 4    762651 4      C-13-H3C(O)CH3
  953244.3480  0.0995 -5.5082 3 1394.4335620  595161404772552 4    762551 4      C-13-H3C(O)CH3
  953244.3480  0.0995 -5.3154 3 1394.4335620  595161404772652 4    762551 4      C-13-H3C(O)CH3
  953270.1488  0.0931 -4.2344 3  851.0070904  595161404563522 1    553421 1      C-13-H3C(O)CH3
  953296.3636  0.0094 -4.3747 3  320.3028632  595161404391029 2    38 830 2      C-13-H3C(O)CH3
  953296.3636  0.0094 -4.3747 3  320.3028632  595161404391129 2    38 930 2      C-13-H3C(O)CH3
  953301.9612  0.0097 -4.4053 3  320.3036632  595161404391129 1    38 930 1      C-13-H3C(O)CH3
  953301.9612  0.0097 -5.4546 3  320.3036632  595161404391029 1    38 930 1      C-13-H3C(O)CH3
  953301.9612  0.0097 -5.4546 3  320.3036632  595161404391129 1    38 830 1      C-13-H3C(O)CH3
  953301.9612  0.0097 -4.4053 3  320.3036632  595161404391029 1    38 830 1      C-13-H3C(O)CH3
  953349.2767  0.1363 -4.2345 3  851.0049904  595161404563522 2    553421 2      C-13-H3C(O)CH3
  953430.6599  0.1331 -4.5057 3  670.1966404  595161404503020 3    492921 3      C-13-H3C(O)CH3
  953460.5746  0.1299 -4.5060 3  670.1963404  595161404503020 4    492921 4      C-13-H3C(O)CH3
  953504.5791  0.0094 -3.7338 3  763.2242840 -595161404523814 2    513714 2      C-13-H3C(O)CH3
  953512.4609  0.0088 -4.6353 3  320.3200632  595161404391129 0    38 830 0      C-13-H3C(O)CH3
  953512.4609  0.0088 -4.7056 3  320.3200632  595161404391129 0    38 930 0      C-13-H3C(O)CH3
  953512.4609  0.0088 -4.7056 3  320.3200632  595161404391029 0    38 830 0      C-13-H3C(O)CH3
  953512.4609  0.0088 -4.6353 3  320.3200632  595161404391029 0    38 930 0      C-13-H3C(O)CH3
  953520.8948  0.0083 -3.7335 3  763.1765840 -595161404523814 0    513715 0      C-13-H3C(O)CH3
  953520.8948  0.0083 -3.7335 3  763.1765840 -595161404523815 0    513714 0      C-13-H3C(O)CH3
  953527.1354  0.0125 -4.0350 3  763.2588420  595161404523814 4    513714 4      C-13-H3C(O)CH3
  953543.1941  0.0094 -3.7337 3  763.2111840 -595161404523814 1    513714 1      C-13-H3C(O)CH3
  953547.2125  0.0574 -5.4366 3  475.4154680  595161404422814 2    412516 2      C-13-H3C(O)CH3
  953629.7052  0.0711 -4.7128 3 1163.8467A64  595161404663630 1    653729 1      C-13-H3C(O)CH3
  953635.0532  0.0696 -4.7125 3 1163.8366A64  595161404663630 0    653729 0      C-13-H3C(O)CH3
  953643.1768  0.0802 -5.0141 3 1163.8599532  595161404663630 3    653729 3      C-13-H3C(O)CH3
  953644.0114  0.0789 -5.0141 3 1163.8599532  595161404663630 4    653729 4      C-13-H3C(O)CH3
  953648.5868  0.0133 -4.0361 3  763.2379420  595161404523815 3    513714 3      C-13-H3C(O)CH3
  953649.9369  0.0827 -4.7127 3 1163.8497A64  595161404663630 2    653729 2      C-13-H3C(O)CH3
  953650.0004  0.0972 -5.3052 3  775.7066856  595161404533617 1    523518 1      C-13-H3C(O)CH3
  953664.4800  0.0094 -3.7334 3  763.1903840  595161404523815 1    513715 1      C-13-H3C(O)CH3
  953672.3884  0.0094 -3.7334 3  763.2031840 -595161404523815 2    513715 2      C-13-H3C(O)CH3
  953695.0374  0.0128 -4.0358 3  763.2377420  595161404523814 3    513715 3      C-13-H3C(O)CH3
  953816.4537  0.0143 -4.0343 3  763.2169420  595161404523815 4    513715 4      C-13-H3C(O)CH3
  953839.4090  0.0376 -5.1593 3 1568.5650796  59516140499 099 4    98 198 4      C-13-H3C(O)CH3
  953839.4090  0.0376 -5.1593 3 1568.5650796  59516140499 199 4    98 098 4      C-13-H3C(O)CH3
  953839.4334  0.0376 -5.4632 3 1568.5651796  59516140499 199 3    98 198 3      C-13-H3C(O)CH3
  953839.4334  0.0376 -5.4632 3 1568.5651796  59516140499 099 3    98 098 3      C-13-H3C(O)CH3
  953839.4334  0.0376 -5.4112 3 1568.5651796  59516140499 099 3    98 198 3      C-13-H3C(O)CH3
  953839.4334  0.0376 -5.4112 3 1568.5651796  59516140499 199 3    98 098 3      C-13-H3C(O)CH3
  953841.4252  0.0373 -4.8479 3 1568.5040F92  59516140499 199 1    98 098 1      C-13-H3C(O)CH3
  953841.4252  0.0373 -4.8479 3 1568.5040F92  59516140499 099 1    98 198 1      C-13-H3C(O)CH3
  953841.6311  0.0547 -4.8434 3 1568.5040F92  59516140499 199 2    98 198 2      C-13-H3C(O)CH3
  953841.6311  0.0547 -4.8434 3 1568.5040F92  59516140499 099 2    98 098 2      C-13-H3C(O)CH3
  953843.6020  0.0376 -4.8342 3 1568.4430F92  59516140499 199 0    98 198 0      C-13-H3C(O)CH3
  953843.6020  0.0376 -4.8342 3 1568.4430F92  59516140499 099 0    98 098 0      C-13-H3C(O)CH3
  953849.0231  0.0978 -4.5374 3  851.0014452  595161404563522 4    553421 4      C-13-H3C(O)CH3
  953856.8739  0.1335 -4.2065 3  670.2045808  595161404503020 2    492921 2      C-13-H3C(O)CH3
  953900.6141  0.1255 -5.5053 3  775.7105856  595161404533617 2    523518 2      C-13-H3C(O)CH3
  953924.2553  0.0207 -3.4497 3  742.6254776  5951614044847 1 0    4746 1 0      C-13-H3C(O)CH3
  953924.2553  0.0207 -3.4497 3  742.6254776  5951614044847 2 0    4746 2 0      C-13-H3C(O)CH3
  953947.5868  0.0220 -3.4498 3  742.6921776  5951614044847 1 1    4746 1 1      C-13-H3C(O)CH3
  953997.0132  0.0247 -5.8799 3  316.6175268  5951614043329 5 4    3226 6 4      C-13-H3C(O)CH3
  954012.8309  0.1346 -4.5315 3  850.9993452  595161404563522 3    553421 3      C-13-H3C(O)CH3
  954026.9087  0.0227 -3.4497 3  742.6699776  5951614044847 1 2    4746 1 2      C-13-H3C(O)CH3
  954050.8513  0.0276 -3.7508 3  742.7365388  5951614044847 1 4    4746 1 4      C-13-H3C(O)CH3
  954063.6506  0.0732 -4.2072 3  670.2074808  595161404503020 1    492921 1      C-13-H3C(O)CH3
  954117.1588  0.0261 -3.4495 3  742.6135776  5951614044847 2 2    4746 2 2      C-13-H3C(O)CH3
  954137.8424  0.0662 -5.5293 3  475.3950340  595161404422814 4    412516 4      C-13-H3C(O)CH3
  954140.9305  0.0316 -3.7506 3  742.6800388  5951614044847 2 3    4746 2 3      C-13-H3C(O)CH3
  954147.3625  0.0242 -3.4495 3  742.6455776  5951614044847 2 1    4746 2 1      C-13-H3C(O)CH3
  954164.3001  0.0648 -4.4510 3  585.5320380  595161404472720 3    462621 3      C-13-H3C(O)CH3
  954165.6922  0.1242 -4.8897 3 1411.6956C56  595161404782554 0    772553 0      C-13-H3C(O)CH3
  954165.6922  0.1242 -4.8897 3 1411.6956C56  595161404782454 0    772453 0      C-13-H3C(O)CH3
  954165.6922  0.1242 -5.6106 3 1411.6956C56  595161404782554 0    772453 0      C-13-H3C(O)CH3
  954165.6922  0.1242 -5.6106 3 1411.6956C56  595161404782454 0    772553 0      C-13-H3C(O)CH3
  954168.3465  0.1280 -5.0028 3 1411.7160C56  595161404782454 1    772553 1      C-13-H3C(O)CH3
  954168.3465  0.1280 -5.2672 3 1411.7160C56  595161404782554 1    772553 1      C-13-H3C(O)CH3
  954168.3465  0.1280 -5.2672 3 1411.7160C56  595161404782454 1    772453 1      C-13-H3C(O)CH3
  954168.3465  0.1280 -5.0028 3 1411.7160C56  595161404782554 1    772453 1      C-13-H3C(O)CH3
  954172.0113  0.1287 -5.8318 3 1411.7178C56  595161404782554 2    772453 2      C-13-H3C(O)CH3
  954172.0113  0.1287 -4.9678 3 1411.7178C56  595161404782554 2    772553 2      C-13-H3C(O)CH3
  954172.0113  0.1287 -5.3399 3 1411.7178C56  595161404782454 2    772553 2      C-13-H3C(O)CH3
  954172.0113  0.1287 -4.8580 3 1411.7178C56  595161404782454 2    772453 2      C-13-H3C(O)CH3
  954173.6027  0.0658 -4.4510 3  585.5319380  595161404472720 4    462621 4      C-13-H3C(O)CH3
  954174.6808  0.1016 -5.1166 3 1411.7382628  595161404782554 3    772553 3      C-13-H3C(O)CH3
  954174.6808  0.1016 -5.1166 3 1411.7382628  595161404782454 3    772453 3      C-13-H3C(O)CH3
  954174.6895  0.1016 -5.2643 3 1411.7382628  595161404782454 4    772553 4      C-13-H3C(O)CH3
  954174.6895  0.1016 -5.1293 3 1411.7382628  595161404782554 4    772453 4      C-13-H3C(O)CH3
  954174.6895  0.1016 -5.6520 3 1411.7382628  595161404782554 4    772553 4      C-13-H3C(O)CH3
  954246.7826  0.1104 -5.2927 3 1510.8625D84  595161404861571 0    851570 0      C-13-H3C(O)CH3
  954246.7826  0.1104 -5.0912 3 1510.8625D84  595161404861571 0    851670 0      C-13-H3C(O)CH3
  954246.7826  0.1104 -5.0912 3 1510.8625D84  595161404861671 0    851570 0      C-13-H3C(O)CH3
  954246.7826  0.1104 -5.2927 3 1510.8625D84  595161404861671 0    851670 0      C-13-H3C(O)CH3
  954250.4288  0.0316 -3.7505 3  742.6898388  5951614044847 1 3    4746 1 3      C-13-H3C(O)CH3
  954259.1979  0.0231 -5.8769 3  316.6124268  5951614043329 5 3    3226 7 3      C-13-H3C(O)CH3
  954274.1084  0.1094 -5.9847 3 1510.8773D84  595161404861571 1    851670 1      C-13-H3C(O)CH3
  954274.1084  0.1094 -4.9148 3 1510.8773D84  595161404861571 1    851570 1      C-13-H3C(O)CH3
  954274.1084  0.1094 -5.9847 3 1510.8773D84  595161404861671 1    851570 1      C-13-H3C(O)CH3
  954274.1084  0.1094 -4.9148 3 1510.8773D84  595161404861671 1    851670 1      C-13-H3C(O)CH3
  954275.6310  0.1133 -4.8805 3 1510.8776D84  595161404861571 2    851670 2      C-13-H3C(O)CH3
  954275.6310  0.1133 -4.8805 3 1510.8776D84  595161404861671 2    851570 2      C-13-H3C(O)CH3
  954302.9881  0.0951 -5.5961 3 1510.8924692  595161404861571 3    851670 3      C-13-H3C(O)CH3
  954302.9881  0.0951 -5.5961 3 1510.8924692  595161404861671 3    851570 3      C-13-H3C(O)CH3
  954302.9881  0.0951 -5.3907 3 1510.8924692  595161404861671 3    851670 3      C-13-H3C(O)CH3
  954302.9881  0.0951 -5.3907 3 1510.8924692  595161404861571 3    851570 3      C-13-H3C(O)CH3
  954303.0274  0.0951 -5.1965 3 1510.8924692  595161404861571 4    851570 4      C-13-H3C(O)CH3
  954303.0274  0.0951 -5.1965 3 1510.8924692  595161404861671 4    851670 4      C-13-H3C(O)CH3
  954314.2329  0.0828 -5.8197 3 1558.6828E96  59516140493 886 0    92 885 0      C-13-H3C(O)CH3
  954314.2329  0.0828 -5.8197 3 1558.6828E96  59516140493 786 0    92 785 0      C-13-H3C(O)CH3
  954314.2329  0.0828 -4.9365 3 1558.6828E96  59516140493 786 0    92 885 0      C-13-H3C(O)CH3
  954314.2329  0.0828 -4.9365 3 1558.6828E96  59516140493 886 0    92 785 0      C-13-H3C(O)CH3
  954323.9589  0.0653 -4.1503 3  585.5470760  595161404472720 2    462621 2      C-13-H3C(O)CH3
  954335.9142  0.1067 -5.5744 3 1558.6597E96  59516140493 786 2    92 885 2      C-13-H3C(O)CH3
  954335.9142  0.1067 -5.5744 3 1558.6597E96  59516140493 886 2    92 785 2      C-13-H3C(O)CH3
  954335.9142  0.1067 -4.9819 3 1558.6597E96  59516140493 886 2    92 885 2      C-13-H3C(O)CH3
  954335.9142  0.1067 -4.9819 3 1558.6597E96  59516140493 786 2    92 785 2      C-13-H3C(O)CH3
  954336.0345  0.1131 -4.8972 3 1558.6598E96  59516140493 786 1    92 885 1      C-13-H3C(O)CH3
  954336.0345  0.1131 -4.8972 3 1558.6598E96  59516140493 886 1    92 785 1      C-13-H3C(O)CH3
  954340.0145  0.0386 -3.7504 3  742.6334388  5951614044847 2 4    4746 2 4      C-13-H3C(O)CH3
  954357.7218  0.0723 -5.4035 3 1558.6367748  59516140493 786 3    92 785 3      C-13-H3C(O)CH3
  954357.7218  0.0723 -5.4035 3 1558.6367748  59516140493 886 3    92 885 3      C-13-H3C(O)CH3
  954357.7218  0.0723 -5.5855 3 1558.6367748  59516140493 786 3    92 885 3      C-13-H3C(O)CH3
  954357.7218  0.0723 -5.5855 3 1558.6367748  59516140493 886 3    92 785 3      C-13-H3C(O)CH3
  954357.7384  0.0723 -5.1883 3 1558.6367748  59516140493 786 4    92 785 4      C-13-H3C(O)CH3
  954357.7384  0.0723 -5.1883 3 1558.6367748  59516140493 886 4    92 885 4      C-13-H3C(O)CH3
  954421.4072  0.0209 -5.5802 3  316.6454536  5951614043329 5 1    3226 6 1      C-13-H3C(O)CH3
  954451.7228  0.0198 -5.5825 3  316.6626536  5951614043329 5 2    3226 6 2      C-13-H3C(O)CH3
  954478.6835  0.0790 -4.2089 3  670.2155808  595161404503020 0    492921 0      C-13-H3C(O)CH3
  954490.0889  0.0318 -4.1502 3  585.5506760 -595161404472720 1    462621 1      C-13-H3C(O)CH3
  954497.9538  0.0148 -5.0704 3  279.8492308  59516140438 731 4    37 632 4      C-13-H3C(O)CH3
  954497.9538  0.0148 -5.0704 3  279.8492308  59516140438 831 4    37 532 4      C-13-H3C(O)CH3
  954497.9538  0.0148 -5.4003 3  279.8492308  59516140438 831 4    37 632 4      C-13-H3C(O)CH3
  954497.9538  0.0148 -5.4003 3  279.8492308  59516140438 731 4    37 532 4      C-13-H3C(O)CH3
  954498.5109  0.0135 -4.9244 3  279.8491308  59516140438 831 3    37 532 3      C-13-H3C(O)CH3
  954498.5109  0.0135 -4.9244 3  279.8491308  59516140438 731 3    37 632 3      C-13-H3C(O)CH3
  954642.0408  0.0235 -5.8798 3  316.6161268  5951614043329 4 3    3226 6 3      C-13-H3C(O)CH3
  954643.8496  0.0363 -4.1505 3  585.5656760  595161404472720 0    462621 0      C-13-H3C(O)CH3
  954712.8794  0.0208 -5.5794 3  316.6574536  5951614043329 4 2    3226 7 2      C-13-H3C(O)CH3
  954880.1185  0.0207 -5.5837 3  316.6903536  5951614043329 5 0    3226 6 0      C-13-H3C(O)CH3
  954880.1430  0.0207 -5.5837 3  316.6903536  5951614043329 4 0    3226 7 0      C-13-H3C(O)CH3
  954901.3927  0.0262 -5.8767 3  316.6110268  5951614043329 4 4    3226 7 4      C-13-H3C(O)CH3
  954921.3207  0.0109 -4.8114 3  279.8471616  59516140438 831 2    37 632 2      C-13-H3C(O)CH3
  954921.3207  0.0109 -5.0197 3  279.8471616  59516140438 831 2    37 532 2      C-13-H3C(O)CH3
  954921.3207  0.0109 -4.8114 3  279.8471616  59516140438 731 2    37 532 2      C-13-H3C(O)CH3
  954921.3207  0.0109 -5.0197 3  279.8471616  59516140438 731 2    37 632 2      C-13-H3C(O)CH3
  954925.4642  0.0118 -4.6175 3  279.8476616  59516140438 731 1    37 532 1      C-13-H3C(O)CH3
  954925.4642  0.0118 -4.6175 3  279.8476616  59516140438 831 1    37 632 1      C-13-H3C(O)CH3
  955065.5878  0.0210 -5.5800 3  316.6439536  5951614043329 4 1    3226 7 1      C-13-H3C(O)CH3
  955130.6829  0.1277 -5.3425 3 1428.4409C72  595161404792356 0    782355 0      C-13-H3C(O)CH3
  955130.6829  0.1277 -5.3425 3 1428.4409C72  595161404792456 0    782455 0      C-13-H3C(O)CH3
  955130.6829  0.1277 -4.9879 3 1428.4409C72  595161404792356 0    782455 0      C-13-H3C(O)CH3
  955130.6829  0.1277 -4.9879 3 1428.4409C72  595161404792456 0    782355 0      C-13-H3C(O)CH3
  955135.0400  0.1321 -4.8398 3 1428.4615C72  595161404792356 1    782455 1      C-13-H3C(O)CH3
  955135.0400  0.1321 -4.8398 3 1428.4615C72  595161404792456 1    782355 1      C-13-H3C(O)CH3
  955138.7374  0.1330 -4.8334 3 1428.4632C72  595161404792456 2    782455 2      C-13-H3C(O)CH3
  955138.7374  0.1330 -4.8334 3 1428.4632C72  595161404792356 2    782355 2      C-13-H3C(O)CH3
  955143.1113  0.1034 -5.1306 3 1428.4838636  595161404792356 3    782355 3      C-13-H3C(O)CH3
  955143.1113  0.1034 -5.1306 3 1428.4838636  595161404792456 3    782455 3      C-13-H3C(O)CH3
  955143.1232  0.1034 -5.2531 3 1428.4838636  595161404792456 4    782355 4      C-13-H3C(O)CH3
  955143.1232  0.1034 -5.7378 3 1428.4838636  595161404792456 4    782455 4      C-13-H3C(O)CH3
  955143.1232  0.1034 -5.2531 3 1428.4838636  595161404792356 4    782455 4      C-13-H3C(O)CH3
  955143.1232  0.1034 -5.7378 3 1428.4838636  595161404792356 4    782355 4      C-13-H3C(O)CH3
  955254.7181  0.0233 -5.4995 3  238.7829300  59516140437 533 3    36 234 3      C-13-H3C(O)CH3
  955254.7181  0.0233 -5.8877 3  238.7829300  59516140437 533 3    36 334 3      C-13-H3C(O)CH3
  955254.7181  0.0233 -5.8877 3  238.7829300  59516140437 433 3    36 234 3      C-13-H3C(O)CH3
  955254.7181  0.0233 -5.4995 3  238.7829300  59516140437 433 3    36 334 3      C-13-H3C(O)CH3
  955254.7626  0.0251 -5.3535 3  238.7829300  59516140437 533 4    36 234 4      C-13-H3C(O)CH3
  955254.7626  0.0251 -5.3535 3  238.7829300  59516140437 433 4    36 334 4      C-13-H3C(O)CH3
  955347.4878  0.0105 -4.6017 3  279.8455616  59516140438 831 0    37 632 0      C-13-H3C(O)CH3
  955347.4878  0.0105 -4.6017 3  279.8455616  59516140438 731 0    37 532 0      C-13-H3C(O)CH3
  955391.2274  0.1043 -5.4183 3 1522.6784E00  595161404871573 0    861472 0      C-13-H3C(O)CH3
  955391.2274  0.1043 -5.0412 3 1522.6784E00  595161404871473 0    861472 0      C-13-H3C(O)CH3
  955391.2274  0.1043 -5.4183 3 1522.6784E00  595161404871473 0    861572 0      C-13-H3C(O)CH3
  955391.2274  0.1043 -5.0412 3 1522.6784E00  595161404871573 0    861572 0      C-13-H3C(O)CH3
  955398.8848  0.0267 -5.0134 3  796.2991872  595161404543519 1    533419 1      C-13-H3C(O)CH3
  955421.1581  0.1019 -4.8932 3 1522.6909E00  595161404871573 1    861572 1      C-13-H3C(O)CH3
  955421.1581  0.1019 -4.8932 3 1522.6909E00  595161404871473 1    861472 1      C-13-H3C(O)CH3
  955422.2742  0.1052 -4.8927 3 1522.6910E00  595161404871473 2    861572 2      C-13-H3C(O)CH3
  955422.2742  0.1052 -4.8927 3 1522.6910E00  595161404871573 2    861472 2      C-13-H3C(O)CH3
  955452.2364  0.0931 -5.1914 3 1522.7035700  595161404871573 3    861472 3      C-13-H3C(O)CH3
  955452.2364  0.0931 -5.1914 3 1522.7035700  595161404871473 3    861572 3      C-13-H3C(O)CH3
  955452.2780  0.0931 -5.2385 3 1522.7035700  595161404871473 4    861472 4      C-13-H3C(O)CH3
  955452.2780  0.0931 -5.2385 3 1522.7035700  595161404871573 4    861572 4      C-13-H3C(O)CH3
  955454.0517  0.0365 -4.8500 3  796.3028872  595161404543519 2    533419 2      C-13-H3C(O)CH3
  955536.8282  0.0828 -4.7103 3 1163.7892A64  595161404663730 0    653629 0      C-13-H3C(O)CH3
  955572.3761  0.0809 -4.9857 3 1566.2188F12  59516140494 688 0    93 787 0      C-13-H3C(O)CH3
  955572.3761  0.0809 -5.5759 3 1566.2188F12  59516140494 688 0    93 687 0      C-13-H3C(O)CH3
  955572.3761  0.0809 -5.5759 3 1566.2188F12  59516140494 788 0    93 787 0      C-13-H3C(O)CH3
  955572.3761  0.0809 -4.9857 3 1566.2188F12  59516140494 788 0    93 687 0      C-13-H3C(O)CH3
  955586.3517  0.1067 -4.9012 3 1566.1899F12  59516140494 788 2    93 787 2      C-13-H3C(O)CH3
  955586.3517  0.1067 -4.9012 3 1566.1899F12  59516140494 688 2    93 687 2      C-13-H3C(O)CH3
  955586.3551  0.1116 -4.8874 3 1566.1900F12  59516140494 688 1    93 787 1      C-13-H3C(O)CH3
  955586.3551  0.1116 -4.8923 3 1566.1900F12  59516140494 788 1    93 687 1      C-13-H3C(O)CH3
  955600.3352  0.0677 -5.2021 3 1566.1610756  59516140494 788 4    93 787 4      C-13-H3C(O)CH3
  955600.3352  0.0677 -5.2021 3 1566.1610756  59516140494 688 4    93 687 4      C-13-H3C(O)CH3
  955600.3362  0.0677 -5.7482 3 1566.1610756  59516140494 788 3    93 687 3      C-13-H3C(O)CH3
  955600.3362  0.0677 -5.3268 3 1566.1610756  59516140494 788 3    93 787 3      C-13-H3C(O)CH3
  955600.3362  0.0677 -5.7482 3 1566.1610756  59516140494 688 3    93 787 3      C-13-H3C(O)CH3
  955600.3362  0.0677 -5.3268 3 1566.1610756  59516140494 688 3    93 687 3      C-13-H3C(O)CH3
  955617.9420  0.0719 -4.7105 3 1163.8007A64  595161404663730 2    653629 2      C-13-H3C(O)CH3
  955640.9288  0.0730 -4.7106 3 1163.7968A64  595161404663730 1    653629 1      C-13-H3C(O)CH3
  955723.3466  0.0522 -5.0118 3 1163.8083532  595161404663730 4    653629 4      C-13-H3C(O)CH3
  955723.9460  0.0530 -5.0118 3 1163.8083532  595161404663730 3    653629 3      C-13-H3C(O)CH3
  955772.9253  0.0492 -4.7592 3  796.3243436  595161404543519 4    533419 4      C-13-H3C(O)CH3
  955879.4915  0.0112 -5.8689 3  253.1590520  595161404321715 2    311418 2      C-13-H3C(O)CH3
  955887.9186  0.0110 -3.4986 3  746.9612792  5951614044945 4 0    4844 4 0      C-13-H3C(O)CH3
  955887.9186  0.0110 -3.4986 3  746.9612792  5951614044945 5 0    4844 5 0      C-13-H3C(O)CH3
  955920.4695  0.1148 -4.5032 3  641.4291396  595161404492920 3    482821 3      C-13-H3C(O)CH3
  955928.4543  0.0117 -3.4986 3  747.0066792 -5951614044945 4 1    4844 4 1      C-13-H3C(O)CH3
  955936.8337  0.0123 -3.4986 3  746.9835792 -5951614044945 4 2    4844 4 2      C-13-H3C(O)CH3
  955939.9576  0.1142 -4.5033 3  641.4290396  595161404492920 4    482821 4      C-13-H3C(O)CH3
  955977.6815  0.0170 -3.7996 3  747.0287396  5951614044945 4 4    4844 4 4      C-13-H3C(O)CH3
  955986.7129  0.0247 -5.0672 3  238.7477600  59516140437 433 2    36 334 2      C-13-H3C(O)CH3
  955986.7129  0.0247 -5.0672 3  238.7477600  59516140437 533 2    36 234 2      C-13-H3C(O)CH3
  955988.9124  0.0266 -5.2754 3  238.7482600  59516140437 533 1    36 234 1      C-13-H3C(O)CH3
  955988.9124  0.0266 -5.2754 3  238.7482600  59516140437 433 1    36 334 1      C-13-H3C(O)CH3
  955988.9124  0.0266 -5.4393 3  238.7482600  59516140437 433 1    36 234 1      C-13-H3C(O)CH3
  955988.9124  0.0266 -5.4393 3  238.7482600  59516140437 533 1    36 334 1      C-13-H3C(O)CH3
  956001.4299  0.0128 -3.4986 3  746.9538792 -5951614044945 5 2    4844 5 2      C-13-H3C(O)CH3
  956015.3587  0.0112 -5.8675 3  253.1618520  595161404321715 1    311418 1      C-13-H3C(O)CH3
  956038.2386  0.0101 -5.8688 3  253.1790520  595161404321715 0    311418 0      C-13-H3C(O)CH3
  956041.7665  0.0175 -3.7996 3  746.9991396  5951614044945 4 3    4844 4 3      C-13-H3C(O)CH3
  956065.4082  0.0124 -3.4985 3  746.9667792 -5951614044945 5 1    4844 5 1      C-13-H3C(O)CH3
  956113.9570  0.0177 -3.7995 3  746.9888396  5951614044945 5 3    4844 5 3      C-13-H3C(O)CH3
  956127.1352  0.1305 -4.8601 3 1444.6315C88  595161404802258 0    792357 0      C-13-H3C(O)CH3
  956127.1352  0.1305 -4.8601 3 1444.6315C88  595161404802358 0    792257 0      C-13-H3C(O)CH3
  956133.4935  0.1354 -4.8650 3 1444.6522C88  595161404802258 1    792357 1      C-13-H3C(O)CH3
  956133.4935  0.1354 -4.8650 3 1444.6522C88  595161404802358 1    792257 1      C-13-H3C(O)CH3
  956137.1589  0.1366 -4.9164 3 1444.6538C88  595161404802258 2    792357 2      C-13-H3C(O)CH3
  956137.1589  0.1366 -5.6544 3 1444.6538C88  595161404802258 2    792257 2      C-13-H3C(O)CH3
  956137.1589  0.1366 -4.9164 3 1444.6538C88  595161404802358 2    792257 2      C-13-H3C(O)CH3
  956137.1589  0.1366 -5.6544 3 1444.6538C88  595161404802358 2    792357 2      C-13-H3C(O)CH3
  956143.5358  0.1048 -5.1605 3 1444.6744644  595161404802258 3    792257 3      C-13-H3C(O)CH3
  956143.5358  0.1048 -5.1605 3 1444.6744644  595161404802358 3    792357 3      C-13-H3C(O)CH3
  956143.5509  0.1048 -5.2076 3 1444.6745644  595161404802358 4    792357 4      C-13-H3C(O)CH3
  956143.5509  0.1048 -5.2076 3 1444.6745644  595161404802258 4    792257 4      C-13-H3C(O)CH3
  956178.3255  0.0194 -3.7994 3  746.9592396  5951614044945 5 4    4844 5 4      C-13-H3C(O)CH3
  956201.1496  1.5634 -5.9338 3 1494.6543B92  595161404744529 1    734628 1      C-13-H3C(O)CH3
  956215.6908  0.1018 -4.4263 3  759.9176428  595161404533320 3    523221 3      C-13-H3C(O)CH3
  956293.0276  0.1162 -4.2032 3  641.4397792  595161404492920 2    482821 2      C-13-H3C(O)CH3
  956355.4337  0.0852 -4.4303 3  759.9159428  595161404533320 4    523221 4      C-13-H3C(O)CH3
  956448.4579  0.0943 -4.1289 3  759.9140856  595161404533320 2    523221 2      C-13-H3C(O)CH3
  956500.5377  0.0641 -4.1291 3  759.9146856  595161404533320 1    523221 1      C-13-H3C(O)CH3
  956513.0355  0.0606 -4.2036 3  641.4430792  595161404492920 1    482821 1      C-13-H3C(O)CH3
  956549.8197  0.0978 -4.9192 3 1533.9606E16  595161404881375 0    871374 0      C-13-H3C(O)CH3
  956549.8197  0.0978 -4.9192 3 1533.9606E16  595161404881475 0    871474 0      C-13-H3C(O)CH3
  956581.9486  0.0951 -4.9471 3 1533.9701E16  595161404881375 1    871374 1      C-13-H3C(O)CH3
  956581.9486  0.0951 -5.8691 3 1533.9701E16  595161404881375 1    871474 1      C-13-H3C(O)CH3
  956581.9486  0.0951 -4.9471 3 1533.9701E16  595161404881475 1    871474 1      C-13-H3C(O)CH3
  956581.9486  0.0951 -5.8691 3 1533.9701E16  595161404881475 1    871374 1      C-13-H3C(O)CH3
  956582.6759  0.0970 -5.1777 3 1533.9701E16  595161404881375 2    871474 2      C-13-H3C(O)CH3
  956582.6759  0.0970 -5.2215 3 1533.9701E16  595161404881375 2    871374 2      C-13-H3C(O)CH3
  956582.6759  0.0970 -5.1777 3 1533.9701E16  595161404881475 2    871374 2      C-13-H3C(O)CH3
  956582.6759  0.0970 -5.2215 3 1533.9701E16  595161404881475 2    871474 2      C-13-H3C(O)CH3
  956607.3380  1.3236 -5.6843 3 1293.5367556  595161404694128 3    684227 3      C-13-H3C(O)CH3
  956614.8356  0.0909 -5.4736 3 1533.9797708  595161404881475 3    871374 3      C-13-H3C(O)CH3
  956614.8356  0.0909 -5.5283 3 1533.9797708  595161404881475 3    871474 3      C-13-H3C(O)CH3
  956614.8356  0.0909 -5.4736 3 1533.9797708  595161404881375 3    871474 3      C-13-H3C(O)CH3
  956614.8356  0.0909 -5.5283 3 1533.9797708  595161404881375 3    871374 3      C-13-H3C(O)CH3
  956614.8791  0.0909 -5.2162 3 1533.9797708  595161404881375 4    871474 4      C-13-H3C(O)CH3
  956614.8791  0.0909 -5.2162 3 1533.9797708  595161404881475 4    871374 4      C-13-H3C(O)CH3
  956621.4002  0.0573 -4.1124 3  823.2200888  595161404553521 0    543420 0      C-13-H3C(O)CH3
  956622.5033  1.2808 -5.6846 3 1293.5363556  595161404694128 4    684227 4      C-13-H3C(O)CH3
  956635.8471  0.0080 -4.0856 3  462.5293696  595161404432023 0    421924 0      C-13-H3C(O)CH3
  956636.9325  0.0080 -4.0856 3  462.5293696  595161404432123 0    421824 0      C-13-H3C(O)CH3
  956640.6232  0.0898 -4.4820 3  613.2095388  595161404482820 3    472721 3      C-13-H3C(O)CH3
  956654.1023  0.0905 -4.4821 3  613.2094388  595161404482820 4    472721 4      C-13-H3C(O)CH3
  956671.3616  0.0659 -4.1308 3  759.9119856  595161404533320 0    523221 0      C-13-H3C(O)CH3
  956703.2132  0.0104 -4.0853 3  462.5020696  595161404432023 2    421924 2      C-13-H3C(O)CH3
  956704.3906  0.0104 -4.0853 3  462.5020696  595161404432123 2    421824 2      C-13-H3C(O)CH3
  956714.5065  0.0086 -4.0853 3  462.5041696  595161404432023 1    421924 1      C-13-H3C(O)CH3
  956715.6455  0.0086 -4.0853 3  462.5041696  595161404432123 1    421824 1      C-13-H3C(O)CH3
  956719.3312  0.0232 -5.0560 3  238.7131600  59516140437 433 0    36 334 0      C-13-H3C(O)CH3
  956719.3312  0.0232 -5.0560 3  238.7131600  59516140437 533 0    36 234 0      C-13-H3C(O)CH3
  956782.0426  0.0115 -4.3860 3  462.4767348  595161404432023 3    421924 3      C-13-H3C(O)CH3
  956782.0797  0.0115 -4.3860 3  462.4767348  595161404432023 4    421924 4      C-13-H3C(O)CH3
  956783.2786  0.0114 -4.3860 3  462.4767348  595161404432123 3    421824 3      C-13-H3C(O)CH3
  956783.3100  0.0115 -4.3860 3  462.4767348  595161404432123 4    421824 4      C-13-H3C(O)CH3
  956846.1541  0.0738 -5.4087 3 1573.2270F28  59516140495 690 0    94 689 0      C-13-H3C(O)CH3
  956846.1541  0.0738 -5.0450 3 1573.2270F28  59516140495 690 0    94 589 0      C-13-H3C(O)CH3
  956846.1541  0.0738 -5.4087 3 1573.2270F28  59516140495 590 0    94 589 0      C-13-H3C(O)CH3
  956846.1541  0.0738 -5.0450 3 1573.2270F28  59516140495 590 0    94 689 0      C-13-H3C(O)CH3
  956850.5847  0.1006 -5.0520 3 1573.1938F28  59516140495 590 1    94 689 1      C-13-H3C(O)CH3
  956850.5847  0.1006 -5.3926 3 1573.1938F28  59516140495 590 1    94 589 1      C-13-H3C(O)CH3
  956850.5847  0.1006 -5.0520 3 1573.1938F28  59516140495 690 1    94 589 1      C-13-H3C(O)CH3
  956850.5847  0.1006 -5.3926 3 1573.1938F28  59516140495 690 1    94 689 1      C-13-H3C(O)CH3
  956850.6799  0.0977 -5.0729 3 1573.1937F28  59516140495 590 2    94 689 2      C-13-H3C(O)CH3
  956850.6799  0.0977 -5.3500 3 1573.1937F28  59516140495 690 2    94 689 2      C-13-H3C(O)CH3
  956850.6799  0.0977 -5.0729 3 1573.1937F28  59516140495 690 2    94 589 2      C-13-H3C(O)CH3
  956850.6799  0.0977 -5.3500 3 1573.1937F28  59516140495 590 2    94 589 2      C-13-H3C(O)CH3
  956855.0983  0.0605 -5.5594 3 1573.1603764  59516140495 590 4    94 689 4      C-13-H3C(O)CH3
  956855.0983  0.0605 -5.4314 3 1573.1603764  59516140495 590 4    94 589 4      C-13-H3C(O)CH3
  956855.0983  0.0605 -5.5594 3 1573.1603764  59516140495 690 4    94 589 4      C-13-H3C(O)CH3
  956855.0983  0.0605 -5.4314 3 1573.1603764  59516140495 690 4    94 689 4      C-13-H3C(O)CH3
  956855.1191  0.0605 -5.7471 3 1573.1604764  59516140495 590 3    94 589 3      C-13-H3C(O)CH3
  956855.1191  0.0605 -5.3306 3 1573.1604764  59516140495 690 3    94 589 3      C-13-H3C(O)CH3
  956855.1191  0.0605 -5.3306 3 1573.1604764  59516140495 590 3    94 689 3      C-13-H3C(O)CH3
  956855.1191  0.0605 -5.7471 3 1573.1604764  59516140495 690 3    94 689 3      C-13-H3C(O)CH3
  956877.3105  0.0673 -4.2046 3  641.4537792  595161404492920 0    482821 0      C-13-H3C(O)CH3
  956913.6199  0.0911 -4.1816 3  613.2224776  595161404482820 2    472721 2      C-13-H3C(O)CH3
  956939.5586  0.0431 -4.1177 3  823.2267888  595161404553521 1    543420 1      C-13-H3C(O)CH3
  956941.8467  2.1552 -5.9331 3 1494.6428B92  595161404744529 2    734628 2      C-13-H3C(O)CH3
  956976.8122  0.0523 -4.1203 3  823.2268888  595161404553521 2    543420 2      C-13-H3C(O)CH3
  957096.4267  0.0470 -4.4435 3  823.2363444  595161404553521 4    543420 4      C-13-H3C(O)CH3
  957117.0614  0.0456 -4.1817 3  613.2259776  595161404482820 1    472721 1      C-13-H3C(O)CH3
  957150.4320  0.1325 -4.9688 3 1460.2711D04  595161404812260 0    802159 0      C-13-H3C(O)CH3
  957150.4320  0.1325 -5.5034 3 1460.2711D04  595161404812260 0    802259 0      C-13-H3C(O)CH3
  957150.4320  0.1325 -5.5034 3 1460.2711D04  595161404812160 0    802159 0      C-13-H3C(O)CH3
  957150.4320  0.1325 -4.9688 3 1460.2711D04  595161404812160 0    802259 0      C-13-H3C(O)CH3
  957159.0721  0.1376 -4.8604 3 1460.2918D04  595161404812160 1    802259 1      C-13-H3C(O)CH3
  957159.0721  0.1376 -4.8604 3 1460.2918D04  595161404812260 1    802159 1      C-13-H3C(O)CH3
  957162.6378  0.1393 -5.0623 3 1460.2932D04  595161404812260 2    802159 2      C-13-H3C(O)CH3
  957162.6378  0.1393 -5.2826 3 1460.2932D04  595161404812260 2    802259 2      C-13-H3C(O)CH3
  957162.6378  0.1393 -5.0623 3 1460.2932D04  595161404812160 2    802259 2      C-13-H3C(O)CH3
  957162.6378  0.1393 -5.2826 3 1460.2932D04  595161404812160 2    802159 2      C-13-H3C(O)CH3
  957171.2983  0.1057 -5.1624 3 1460.3139652  595161404812160 3    802259 3      C-13-H3C(O)CH3
  957171.2983  0.1057 -5.1624 3 1460.3139652  595161404812260 3    802159 3      C-13-H3C(O)CH3
  957171.3167  0.1057 -5.2961 3 1460.3139652  595161404812260 4    802259 4      C-13-H3C(O)CH3
  957171.3167  0.1057 -5.7251 3 1460.3139652  595161404812260 4    802159 4      C-13-H3C(O)CH3
  957171.3167  0.1057 -5.2961 3 1460.3139652  595161404812160 4    802159 4      C-13-H3C(O)CH3
  957171.3167  0.1057 -5.7251 3 1460.3139652  595161404812160 4    802259 4      C-13-H3C(O)CH3
  957346.4938  1.0837 -5.3816 3 1293.5166B12  595161404694128 1    684227 1      C-13-H3C(O)CH3
  957367.7986  1.6399 -5.9328 3 1494.6255B92  595161404744529 0    734628 0      C-13-H3C(O)CH3
  957383.0886  0.0517 -4.1822 3  613.2389776  595161404482820 0    472721 0      C-13-H3C(O)CH3
  957444.5876  0.0092 -4.4694 3  391.7724332  595161404411526 4    401427 4      C-13-H3C(O)CH3
  957444.5876  0.0092 -4.4694 3  391.7724332  595161404411626 4    401327 4      C-13-H3C(O)CH3
  957444.8638  0.0091 -4.4695 3  391.7724332  595161404411526 3    401427 3      C-13-H3C(O)CH3
  957444.8638  0.0091 -4.4695 3  391.7724332  595161404411626 3    401327 3      C-13-H3C(O)CH3
  957448.4655  0.0085 -4.1688 3  391.8000664  595161404411626 2    401327 2      C-13-H3C(O)CH3
  957448.4655  0.0085 -4.1688 3  391.8000664  595161404411526 2    401427 2      C-13-H3C(O)CH3
  957455.4824  0.0084 -4.1686 3  391.8014664  595161404411626 1    401327 1      C-13-H3C(O)CH3
  957455.4824  0.0084 -4.1686 3  391.8014664  595161404411526 1    401427 1      C-13-H3C(O)CH3
  957459.1057  0.0069 -4.1688 3  391.8289664  595161404411526 0    401427 0      C-13-H3C(O)CH3
  957459.1057  0.0069 -4.1688 3  391.8289664  595161404411626 0    401327 0      C-13-H3C(O)CH3
  957483.4277  0.0645 -4.4099 3  823.2313444  595161404553521 3    543420 3      C-13-H3C(O)CH3
  957677.6837  0.0103 -3.5562 3  752.9123808 -5951614045043 7 2    4942 7 2      C-13-H3C(O)CH3
  957682.9299  0.0079 -3.5561 3  752.8942808 -5951614045043 8 0    4942 7 0      C-13-H3C(O)CH3
  957682.9299  0.0079 -3.5561 3  752.8942808 -5951614045043 7 0    4942 8 0      C-13-H3C(O)CH3
  957707.7737  0.0145 -3.8572 3  752.9433404  5951614045043 7 4    4942 7 4      C-13-H3C(O)CH3
  957713.2816  0.0090 -3.5561 3  752.9254808 -5951614045043 7 1    4942 7 1      C-13-H3C(O)CH3
  957722.4434  0.0919 -4.9139 3 1544.7103E32  595161404891377 0    881376 0      C-13-H3C(O)CH3
  957722.4434  0.0919 -4.9139 3 1544.7103E32  595161404891277 0    881276 0      C-13-H3C(O)CH3
  957756.1473  0.0909 -5.0856 3 1544.7163E32  595161404891277 1    881276 1      C-13-H3C(O)CH3
  957756.1473  0.0909 -5.0856 3 1544.7163E32  595161404891377 1    881376 1      C-13-H3C(O)CH3
  957756.1473  0.0909 -5.3771 3 1544.7163E32  595161404891377 1    881276 1      C-13-H3C(O)CH3
  957756.1473  0.0909 -5.3771 3 1544.7163E32  595161404891277 1    881376 1      C-13-H3C(O)CH3
  957756.5276  0.0905 -5.0361 3 1544.7161E32  595161404891277 2    881376 2      C-13-H3C(O)CH3
  957756.5276  0.0905 -5.0361 3 1544.7161E32  595161404891377 2    881276 2      C-13-H3C(O)CH3
  957756.5276  0.0905 -5.4940 3 1544.7161E32  595161404891377 2    881376 2      C-13-H3C(O)CH3
  957756.5276  0.0905 -5.4940 3 1544.7161E32  595161404891277 2    881276 2      C-13-H3C(O)CH3
  957759.8853  0.0095 -3.5562 3  752.9018808 -5951614045043 8 2    4942 8 2      C-13-H3C(O)CH3
  957763.6947  0.0149 -5.6925 3  430.0775648  595161404402714 1    392416 1      C-13-H3C(O)CH3
  957789.5825  0.0137 -3.8572 3  752.9330404  5951614045043 7 3    4942 7 3      C-13-H3C(O)CH3
  957790.2603  0.0888 -5.8487 3 1544.7221716  595161404891277 3    881376 3      C-13-H3C(O)CH3
  957790.2603  0.0888 -5.3199 3 1544.7221716  595161404891277 3    881276 3      C-13-H3C(O)CH3
  957790.2603  0.0888 -5.8487 3 1544.7221716  595161404891377 3    881276 3      C-13-H3C(O)CH3
  957790.2603  0.0888 -5.3199 3 1544.7221716  595161404891377 3    881376 3      C-13-H3C(O)CH3
  957790.3051  0.0888 -5.2306 3 1544.7221716  595161404891377 4    881376 4      C-13-H3C(O)CH3
  957790.3051  0.0888 -5.2306 3 1544.7221716  595161404891277 4    881276 4      C-13-H3C(O)CH3
  957794.6380  0.0229 -5.5142 3  430.0539324  595161404402714 4    392416 4      C-13-H3C(O)CH3
  957814.3112  0.0142 -3.8571 3  752.9152404  5951614045043 8 3    4942 8 3      C-13-H3C(O)CH3
  957820.2274  0.0089 -3.5560 3  752.8972808 -5951614045043 8 1    4942 8 1      C-13-H3C(O)CH3
  957871.3553  0.0106 -5.8683 3  253.1590520  595161404321815 2    311318 2      C-13-H3C(O)CH3
  957896.7775  0.0139 -3.8571 3  752.9047404  5951614045043 8 4    4942 8 4      C-13-H3C(O)CH3
  957917.4189  0.0212 -5.0101 3  796.1160872  595161404543520 1    533420 1      C-13-H3C(O)CH3
  957919.9199  0.0231 -4.8469 3  796.1179872  595161404543520 2    533420 2      C-13-H3C(O)CH3
  957928.3174  1.4775 -5.3802 3 1293.5137B12  595161404694128 2    684227 2      C-13-H3C(O)CH3
  957934.1327  0.0199 -5.3588 3  430.0738648  595161404402714 2    392416 2      C-13-H3C(O)CH3
  957957.8554  0.0106 -5.8670 3  253.1618520  595161404321815 1    311318 1      C-13-H3C(O)CH3
  957965.8621  0.0166 -4.1161 3  558.4100744  595161404462720 0    452421 0      C-13-H3C(O)CH3
  957972.0085  0.0294 -4.7560 3  796.1261436  595161404543520 4    533420 4      C-13-H3C(O)CH3
  958003.6897  0.0099 -5.8682 3  253.1789520  595161404321815 0    311318 0      C-13-H3C(O)CH3
  958080.6143  0.0170 -4.1160 3  558.3925744  595161404462720 1    452421 1      C-13-H3C(O)CH3
  958088.2818  0.0180 -4.1162 3  558.3883744  595161404462720 2    452421 2      C-13-H3C(O)CH3
  958122.8348  0.0505 -5.1918 3 1579.6369772  59516140496 592 4    95 491 4      C-13-H3C(O)CH3
  958122.8348  0.0505 -5.1918 3 1579.6369772  59516140496 492 4    95 591 4      C-13-H3C(O)CH3
  958122.8718  0.0505 -5.2408 3 1579.6369772  59516140496 492 3    95 491 3      C-13-H3C(O)CH3
  958122.8718  0.0505 -5.2408 3 1579.6369772  59516140496 592 3    95 591 3      C-13-H3C(O)CH3
  958128.8241  0.0792 -5.0057 3 1579.6717F44  59516140496 592 1    95 491 1      C-13-H3C(O)CH3
  958128.8241  0.0792 -5.5222 3 1579.6717F44  59516140496 592 1    95 591 1      C-13-H3C(O)CH3
  958128.8241  0.0792 -5.0057 3 1579.6717F44  59516140496 492 1    95 591 1      C-13-H3C(O)CH3
  958128.8241  0.0792 -5.5222 3 1579.6717F44  59516140496 492 1    95 491 1      C-13-H3C(O)CH3
  958128.9384  0.0787 -5.8636 3 1579.6715F44  59516140496 592 2    95 591 2      C-13-H3C(O)CH3
  958128.9384  0.0787 -4.9391 3 1579.6715F44  59516140496 592 2    95 491 2      C-13-H3C(O)CH3
  958128.9384  0.0787 -4.9391 3 1579.6715F44  59516140496 492 2    95 591 2      C-13-H3C(O)CH3
  958128.9384  0.0787 -5.8636 3 1579.6715F44  59516140496 492 2    95 491 2      C-13-H3C(O)CH3
  958134.9033  0.0604 -4.8921 3 1579.7063F44  59516140496 592 0    95 491 0      C-13-H3C(O)CH3
  958134.9033  0.0604 -4.8921 3 1579.7063F44  59516140496 492 0    95 591 0      C-13-H3C(O)CH3
  958188.6914  0.0893 -4.7449 3 1288.6421B44  595161404713239 1    703338 1      C-13-H3C(O)CH3
  958188.6919  0.0893 -4.7449 3 1288.6421B44  595161404713339 1    703238 1      C-13-H3C(O)CH3
  958188.8424  0.0895 -4.7448 3 1288.6251B44  595161404713239 0    703338 0      C-13-H3C(O)CH3
  958188.8427  0.0895 -4.7448 3 1288.6251B44  595161404713339 0    703238 0      C-13-H3C(O)CH3
  958190.3023  0.0824 -5.0459 3 1288.6615572  595161404713239 4    703338 4      C-13-H3C(O)CH3
  958190.3028  0.0824 -5.0459 3 1288.6615572  595161404713339 4    703238 4      C-13-H3C(O)CH3
  958190.3135  0.0824 -5.0459 3 1288.6615572  595161404713239 3    703338 3      C-13-H3C(O)CH3
  958190.3140  0.0824 -5.0459 3 1288.6615572  595161404713339 3    703238 3      C-13-H3C(O)CH3
  958190.4566  0.0916 -4.7450 3 1288.6445B44  595161404713239 2    703338 2      C-13-H3C(O)CH3
  958190.4570  0.0916 -4.7450 3 1288.6445B44  595161404713339 2    703238 2      C-13-H3C(O)CH3
  958197.0360  0.1334 -4.8719 3 1475.3630D20  595161404822162 0    812061 0      C-13-H3C(O)CH3
  958197.0360  0.1334 -4.8719 3 1475.3630D20  595161404822062 0    812161 0      C-13-H3C(O)CH3
  958201.0019  0.0183 -4.4171 3  558.3708372  595161404462720 4    452421 4      C-13-H3C(O)CH3
  958207.3435  0.0181 -4.4171 3  558.3708372  595161404462720 3    452421 3      C-13-H3C(O)CH3
  958208.2160  0.1386 -4.8875 3 1475.3835D20  595161404822162 1    812161 1      C-13-H3C(O)CH3
  958208.2160  0.1386 -4.8875 3 1475.3835D20  595161404822062 1    812061 1      C-13-H3C(O)CH3
  958211.6134  0.1408 -4.9727 3 1475.3848D20  595161404822062 2    812061 2      C-13-H3C(O)CH3
  958211.6134  0.1408 -4.9727 3 1475.3848D20  595161404822162 2    812161 2      C-13-H3C(O)CH3
  958211.6134  0.1408 -5.5527 3 1475.3848D20  595161404822062 2    812161 2      C-13-H3C(O)CH3
  958211.6134  0.1408 -5.5527 3 1475.3848D20  595161404822162 2    812061 2      C-13-H3C(O)CH3
  958222.8157  0.1062 -5.2104 3 1475.4053660  595161404822062 3    812161 3      C-13-H3C(O)CH3
  958222.8157  0.1062 -5.2104 3 1475.4053660  595161404822162 3    812061 3      C-13-H3C(O)CH3
  958222.8374  0.1062 -5.3361 3 1475.4053660  595161404822162 4    812061 4      C-13-H3C(O)CH3
  958222.8374  0.1062 -5.6751 3 1475.4053660  595161404822162 4    812161 4      C-13-H3C(O)CH3
  958222.8374  0.1062 -5.3361 3 1475.4053660  595161404822062 4    812161 4      C-13-H3C(O)CH3
  958222.8374  0.1062 -5.6751 3 1475.4053660  595161404822062 4    812061 4      C-13-H3C(O)CH3
  958244.0508  0.0837 -4.7349 3 1266.4996B28  595161404703337 0    693436 0      C-13-H3C(O)CH3
  958244.0691  0.0837 -4.7349 3 1266.4996B28  595161404703437 0    693336 0      C-13-H3C(O)CH3
  958247.0363  0.0833 -4.7350 3 1266.5157B28  595161404703337 1    693436 1      C-13-H3C(O)CH3
  958247.0591  0.0833 -4.7350 3 1266.5157B28  595161404703437 1    693336 1      C-13-H3C(O)CH3
  958248.3714  0.0859 -4.7350 3 1266.5182B28  595161404703337 2    693436 2      C-13-H3C(O)CH3
  958248.3907  0.0859 -4.7350 3 1266.5182B28  595161404703437 2    693336 2      C-13-H3C(O)CH3
  958251.3601  0.0785 -5.0361 3 1266.5344564  595161404703337 4    693436 4      C-13-H3C(O)CH3
  958251.3693  0.0785 -5.0361 3 1266.5344564  595161404703337 3    693436 3      C-13-H3C(O)CH3
  958251.3839  0.0785 -5.0361 3 1266.5344564  595161404703437 4    693336 4      C-13-H3C(O)CH3
  958251.3933  0.0785 -5.0361 3 1266.5344564  595161404703437 3    693336 3      C-13-H3C(O)CH3
  958419.6126  0.0955 -4.7571 3 1310.1098B60  595161404723141 1    713240 1      C-13-H3C(O)CH3
  958419.6127  0.0955 -4.7571 3 1310.1098B60  595161404723241 1    713140 1      C-13-H3C(O)CH3
  958419.6772  0.0863 -5.0581 3 1310.1298580  595161404723141 4    713240 4      C-13-H3C(O)CH3
  958419.6772  0.0863 -5.0582 3 1310.1298580  595161404723241 4    713140 4      C-13-H3C(O)CH3
  958419.6885  0.0863 -5.0581 3 1310.1298580  595161404723241 3    713140 3      C-13-H3C(O)CH3
  958419.6885  0.0863 -5.0581 3 1310.1298580  595161404723141 3    713240 3      C-13-H3C(O)CH3
  958421.7074  0.0954 -4.7571 3 1310.0922B60  595161404723141 0    713240 0      C-13-H3C(O)CH3
  958421.7074  0.0954 -4.7571 3 1310.0922B60  595161404723241 0    713140 0      C-13-H3C(O)CH3
  958421.7772  0.0975 -4.7575 3 1310.1121B60  595161404723241 2    713140 2      C-13-H3C(O)CH3
  958421.7772  0.0975 -4.7575 3 1310.1121B60  595161404723141 2    713240 2      C-13-H3C(O)CH3
  958567.6339  0.0146 -4.6945 3  430.0970648  595161404402713 0    392416 0      C-13-H3C(O)CH3
  958596.3355  0.0119 -4.0880 3  526.4347728  595161404452421 0    442322 0      C-13-H3C(O)CH3
  958627.4223  0.0197 -4.0878 3  526.4120728  595161404452421 2    442322 2      C-13-H3C(O)CH3
  958658.4784  1.1601 -5.3783 3 1293.4939B12  595161404694128 0    684227 0      C-13-H3C(O)CH3
  958661.8985  0.0118 -4.0877 3  526.4150728  595161404452421 1    442322 1      C-13-H3C(O)CH3
  958692.6002  0.0208 -4.3885 3  526.3923364  595161404452421 3    442322 3      C-13-H3C(O)CH3
  958693.5348  0.0210 -4.3885 3  526.3922364  595161404452421 4    442322 4      C-13-H3C(O)CH3
  958731.0813  0.0781 -4.7286 3 1243.6764B12  595161404693435 0    683534 0      C-13-H3C(O)CH3
  958731.8561  0.0781 -4.7286 3 1243.6764B12  595161404693535 0    683434 0      C-13-H3C(O)CH3
  958739.0813  0.0775 -4.7287 3 1243.6914B12  595161404693435 1    683534 1      C-13-H3C(O)CH3
  958739.9671  0.0802 -4.7287 3 1243.6941B12  595161404693435 2    683534 2      C-13-H3C(O)CH3
  958739.9813  0.0775 -4.7287 3 1243.6914B12  595161404693535 1    683434 1      C-13-H3C(O)CH3
  958740.7823  0.0802 -4.7287 3 1243.6941B12  595161404693535 2    683434 2      C-13-H3C(O)CH3
  958747.9861  0.0743 -5.0298 3 1243.7092556  595161404693435 4    683534 4      C-13-H3C(O)CH3
  958747.9880  0.0743 -5.0298 3 1243.7092556  595161404693435 3    683534 3      C-13-H3C(O)CH3
  958748.9292  0.0743 -5.0298 3 1243.7092556  595161404693535 4    683434 4      C-13-H3C(O)CH3
  958748.9344  0.0743 -5.0298 3 1243.7091556  595161404693535 3    683434 3      C-13-H3C(O)CH3
  958784.4011  0.0195 -4.7396 3  430.0775648  595161404402713 1    392416 1      C-13-H3C(O)CH3
  958852.4214  0.0900 -5.0840 3 1330.9667588  595161404733043 4    723142 4      C-13-H3C(O)CH3
  958852.4214  0.0900 -5.0749 3 1330.9667588  595161404733143 4    723042 4      C-13-H3C(O)CH3
  958852.4316  0.0900 -5.0784 3 1330.9667588  595161404733043 3    723142 3      C-13-H3C(O)CH3
  958852.4316  0.0900 -5.0758 3 1330.9667588  595161404733143 3    723042 3      C-13-H3C(O)CH3
  958853.1052  0.1018 -4.7708 3 1330.9462B76  595161404733043 1    723142 1      C-13-H3C(O)CH3
  958853.1052  0.1018 -4.7712 3 1330.9462B76  595161404733143 1    723042 1      C-13-H3C(O)CH3
  958854.3989  0.0234 -5.7057 3  360.7258584  5951614043628 9 1    352510 1      C-13-H3C(O)CH3
  958855.6402  0.1034 -5.4891 3 1330.9485B76  595161404733143 2    723142 2      C-13-H3C(O)CH3
  958855.6402  0.1034 -4.8630 3 1330.9485B76  595161404733043 2    723142 2      C-13-H3C(O)CH3
  958855.6402  0.1034 -5.4284 3 1330.9485B76  595161404733043 2    723042 2      C-13-H3C(O)CH3
  958855.6402  0.1034 -4.8786 3 1330.9485B76  595161404733143 2    723042 2      C-13-H3C(O)CH3
  958856.3196  0.1013 -5.5588 3 1330.9280B76  595161404733043 0    723042 0      C-13-H3C(O)CH3
  958856.3196  0.1013 -4.8479 3 1330.9280B76  595161404733143 0    723042 0      C-13-H3C(O)CH3
  958856.3196  0.1013 -5.6194 3 1330.9280B76  595161404733143 0    723142 0      C-13-H3C(O)CH3
  958856.3196  0.1013 -4.8371 3 1330.9280B76  595161404733043 0    723142 0      C-13-H3C(O)CH3
  958858.5939  0.0191 -5.3773 3  360.7143292  5951614043628 9 3    352510 3      C-13-H3C(O)CH3
  958895.4809  0.0234 -5.7650 3  307.4492552  595161404342411 1    331914 1      C-13-H3C(O)CH3
  958909.1783  0.0874 -4.9273 3 1554.9290E48  595161404901279 0    891178 0      C-13-H3C(O)CH3
  958909.1783  0.0874 -4.9273 3 1554.9290E48  595161404901179 0    891278 0      C-13-H3C(O)CH3
  958926.3893  0.0208 -5.3789 3  360.7000292  5951614043628 9 4    352511 4      C-13-H3C(O)CH3
  958937.0645  0.0180 -5.1912 3  360.7230584  5951614043628 9 1    352511 1      C-13-H3C(O)CH3
  958943.5784  0.0910 -5.2959 3 1554.9306E48  595161404901179 1    891178 1      C-13-H3C(O)CH3
  958943.5784  0.0910 -5.1465 3 1554.9306E48  595161404901179 1    891278 1      C-13-H3C(O)CH3
  958943.5784  0.0910 -5.2959 3 1554.9306E48  595161404901279 1    891278 1      C-13-H3C(O)CH3
  958943.5784  0.0910 -5.1465 3 1554.9306E48  595161404901279 1    891178 1      C-13-H3C(O)CH3
  958943.6771  0.0878 -5.7561 3 1554.9304E48  595161404901179 2    891178 2      C-13-H3C(O)CH3
  958943.6771  0.0878 -4.9812 3 1554.9304E48  595161404901179 2    891278 2      C-13-H3C(O)CH3
  958943.6771  0.0878 -4.9812 3 1554.9304E48  595161404901279 2    891178 2      C-13-H3C(O)CH3
  958943.6771  0.0878 -5.7561 3 1554.9304E48  595161404901279 2    891278 2      C-13-H3C(O)CH3
  958978.1027  0.0868 -5.4920 3 1554.9320724  595161404901279 3    891278 3      C-13-H3C(O)CH3
  958978.1027  0.0868 -5.4920 3 1554.9320724  595161404901179 3    891178 3      C-13-H3C(O)CH3
  958978.1027  0.0868 -5.5410 3 1554.9320724  595161404901179 3    891278 3      C-13-H3C(O)CH3
  958978.1027  0.0868 -5.5410 3 1554.9320724  595161404901279 3    891178 3      C-13-H3C(O)CH3
  958978.1475  0.0868 -5.2576 3 1554.9320724  595161404901279 4    891178 4      C-13-H3C(O)CH3
  958978.1475  0.0868 -5.2576 3 1554.9320724  595161404901179 4    891278 4      C-13-H3C(O)CH3
  959022.9518  0.4762 -5.2098 3 1176.3033532  595161404663828 3    653927 3      C-13-H3C(O)CH3
  959031.5124  0.4617 -5.2098 3 1176.3031532  595161404663828 4    653927 4      C-13-H3C(O)CH3
  959132.8651  0.0100 -3.6251 3  760.5666824 -595161404514110 2    504010 2      C-13-H3C(O)CH3
  959145.1455  0.0138 -3.9262 3  760.5937412  595161404514110 4    504010 4      C-13-H3C(O)CH3
  959164.9683  0.0092 -4.0799 3  494.4393712  595161404442222 0    432123 0      C-13-H3C(O)CH3
  959167.4529  0.0170 -5.0780 3  360.7436584  5951614043628 8 2    352510 2      C-13-H3C(O)CH3
  959171.5994  0.0067 -3.6249 3  760.5390824 -595161404514111 0    504010 0      C-13-H3C(O)CH3
  959171.5994  0.0067 -3.6249 3  760.5390824 -595161404514110 0    504011 0      C-13-H3C(O)CH3
  959184.1219  0.0081 -3.6249 3  760.5662824 -595161404514110 1    504010 1      C-13-H3C(O)CH3
  959194.7091  0.0167 -5.0774 3  360.7538584  5951614043628 9 0    352510 0      C-13-H3C(O)CH3
  959196.9418  0.0199 -5.3757 3  360.7157292  5951614043628 8 4    352510 4      C-13-H3C(O)CH3
  959198.6792  0.0092 -4.0798 3  494.4392712  595161404442322 0    432023 0      C-13-H3C(O)CH3
  959213.9878  0.0260 -5.0320 3  430.0544324  595161404402713 3    392416 3      C-13-H3C(O)CH3
  959232.5530  0.0182 -5.1905 3  360.7258584  5951614043628 8 1    352510 1      C-13-H3C(O)CH3
  959234.1462  0.0133 -4.0796 3  494.4142712  595161404442222 2    432123 2      C-13-H3C(O)CH3
  959239.7426  0.0174 -5.0805 3  360.7292584  5951614043628 9 2    352511 2      C-13-H3C(O)CH3
  959250.6459  0.0095 -4.0796 3  494.4167712  595161404442222 1    432123 1      C-13-H3C(O)CH3
  959251.5185  0.0132 -3.9261 3  760.5750412  595161404514111 3    504011 3      C-13-H3C(O)CH3
  959255.3095  0.0086 -3.6250 3  760.5619824 -595161404514111 2    504011 2      C-13-H3C(O)CH3
  959264.0345  0.0167 -5.0774 3  360.7515584  5951614043628 8 0    352511 0      C-13-H3C(O)CH3
  959264.2335  0.1332 -5.0406 3 1489.9098D36  595161404832064 0    821963 0      C-13-H3C(O)CH3
  959264.2335  0.1332 -5.0406 3 1489.9098D36  595161404831964 0    822063 0      C-13-H3C(O)CH3
  959264.2335  0.1332 -5.4041 3 1489.9098D36  595161404832064 0    822063 0      C-13-H3C(O)CH3
  959264.2335  0.1332 -5.4041 3 1489.9098D36  595161404831964 0    821963 0      C-13-H3C(O)CH3
  959265.9813  0.0192 -5.3791 3  360.7015292  5951614043628 8 3    352511 3      C-13-H3C(O)CH3
  959267.4123  0.0122 -3.9261 3  760.5892412  595161404514110 3    504010 3      C-13-H3C(O)CH3
  959269.9854  0.0131 -4.0796 3  494.4142712  595161404442322 2    432023 2      C-13-H3C(O)CH3
  959278.1810  0.1381 -5.4564 3 1489.9300D36  595161404831964 1    821963 1      C-13-H3C(O)CH3
  959278.1810  0.1381 -5.4564 3 1489.9300D36  595161404832064 1    822063 1      C-13-H3C(O)CH3
  959278.1810  0.1381 -5.0198 3 1489.9300D36  595161404832064 1    821963 1      C-13-H3C(O)CH3
  959278.1810  0.1381 -5.0198 3 1489.9300D36  595161404831964 1    822063 1      C-13-H3C(O)CH3
  959281.3425  0.1409 -4.9167 3 1489.9311D36  595161404832064 2    821963 2      C-13-H3C(O)CH3
  959281.3425  0.1409 -4.9167 3 1489.9311D36  595161404831964 2    822063 2      C-13-H3C(O)CH3
  959285.5735  0.0096 -4.0795 3  494.4167712  595161404442322 1    432023 1      C-13-H3C(O)CH3
  959290.4314  0.0078 -3.6249 3  760.5475824 -595161404514111 1    504011 1      C-13-H3C(O)CH3
  959295.3142  0.1062 -5.2706 3 1489.9513668  595161404831964 3    822063 3      C-13-H3C(O)CH3
  959295.3142  0.1062 -5.1968 3 1489.9513668  595161404832064 3    822063 3      C-13-H3C(O)CH3
  959295.3142  0.1062 -5.9352 3 1489.9513668  595161404831964 3    821963 3      C-13-H3C(O)CH3
  959295.3392  0.1062 -5.1974 3 1489.9513668  595161404831964 4    822063 4      C-13-H3C(O)CH3
  959295.3392  0.1062 -5.1974 3 1489.9513668  595161404832064 4    821963 4      C-13-H3C(O)CH3
  959312.5052  0.0114 -4.0876 3  526.4336728  595161404452521 0    442222 0      C-13-H3C(O)CH3
  959315.2187  0.0251 -5.7050 3  360.7230584  5951614043628 8 1    352511 1      C-13-H3C(O)CH3
  959316.7874  0.0303 -4.8012 3  430.0738648  595161404402713 2    392416 2      C-13-H3C(O)CH3
  959319.9757  0.0143 -4.3803 3  494.3916356  595161404442222 3    432123 3      C-13-H3C(O)CH3
  959320.1614  0.0144 -4.3803 3  494.3916356  595161404442222 4    432123 4      C-13-H3C(O)CH3
  959334.4545  0.0192 -5.7315 3  307.4635552  595161404342411 0    331914 0      C-13-H3C(O)CH3
  959357.1219  0.0142 -4.3803 3  494.3916356  595161404442322 3    432023 3      C-13-H3C(O)CH3
  959357.1997  0.0143 -4.3803 3  494.3915356  595161404442322 4    432023 4      C-13-H3C(O)CH3
  959374.2565  0.0118 -3.9260 3  760.5704412  595161404514111 4    504011 4      C-13-H3C(O)CH3
  959376.7303  0.0170 -4.0874 3  526.4108728  595161404452521 2    442222 2      C-13-H3C(O)CH3
  959389.3432  0.4098 -4.9072 3 1176.2889A64  595161404663828 1    653927 1      C-13-H3C(O)CH3
  959396.8785  0.0118 -4.0873 3  526.4139728  595161404452521 1    442222 1      C-13-H3C(O)CH3
  959404.9658  0.0381 -5.3255 3 1585.5932780  59516140497 394 4    96 393 4      C-13-H3C(O)CH3
  959404.9658  0.0381 -5.4848 3 1585.5932780  59516140497 494 4    96 393 4      C-13-H3C(O)CH3
  959404.9658  0.0381 -5.7693 3 1585.5932780  59516140497 394 4    96 493 4      C-13-H3C(O)CH3
  959404.9658  0.0381 -5.5014 3 1585.5932780  59516140497 494 4    96 493 4      C-13-H3C(O)CH3
  959405.0043  0.0381 -5.1926 3 1585.5932780  59516140497 394 3    96 493 3      C-13-H3C(O)CH3
  959405.0043  0.0381 -5.1926 3 1585.5932780  59516140497 494 3    96 393 3      C-13-H3C(O)CH3
  959420.9381  0.0502 -4.8913 3 1585.6240F60  59516140497 394 1    96 393 1      C-13-H3C(O)CH3
  959420.9381  0.0502 -4.8913 3 1585.6240F60  59516140497 494 1    96 493 1      C-13-H3C(O)CH3
  959420.9487  0.0528 -4.8971 3 1585.6237F60  59516140497 394 2    96 393 2      C-13-H3C(O)CH3
  959420.9487  0.0528 -4.8971 3 1585.6237F60  59516140497 494 2    96 493 2      C-13-H3C(O)CH3
  959432.9955  0.0936 -5.1264 3 1351.1920596  595161404743045 4    732944 4      C-13-H3C(O)CH3
  959432.9955  0.0936 -5.1264 3 1351.1920596  595161404742945 4    733044 4      C-13-H3C(O)CH3
  959433.0040  0.0936 -5.0952 3 1351.1920596  595161404743045 3    733044 3      C-13-H3C(O)CH3
  959433.0040  0.0936 -5.0952 3 1351.1920596  595161404742945 3    732944 3      C-13-H3C(O)CH3
  959433.8383  0.1081 -5.5983 3 1351.1711B92  595161404742945 1    732944 1      C-13-H3C(O)CH3
  959433.8383  0.1081 -4.8580 3 1351.1711B92  595161404742945 1    733044 1      C-13-H3C(O)CH3
  959433.8383  0.1081 -5.1194 3 1351.1711B92  595161404743045 1    733044 1      C-13-H3C(O)CH3
  959433.8383  0.1081 -5.0559 3 1351.1711B92  595161404743045 1    732944 1      C-13-H3C(O)CH3
  959436.7116  0.1093 -5.3853 3 1351.1733B92  595161404743045 2    732944 2      C-13-H3C(O)CH3
  959436.7116  0.1093 -5.3853 3 1351.1733B92  595161404742945 2    733044 2      C-13-H3C(O)CH3
  959436.7116  0.1093 -4.9111 3 1351.1733B92  595161404742945 2    732944 2      C-13-H3C(O)CH3
  959436.7116  0.1093 -4.9111 3 1351.1733B92  595161404743045 2    733044 2      C-13-H3C(O)CH3
  959436.8926  0.0418 -4.8915 3 1585.6545F60  59516140497 494 0    96 493 0      C-13-H3C(O)CH3
  959436.8926  0.0418 -4.8915 3 1585.6545F60  59516140497 394 0    96 393 0      C-13-H3C(O)CH3
  959437.5521  0.1071 -5.6326 3 1351.1525B92  595161404743045 0    732944 0      C-13-H3C(O)CH3
  959437.5521  0.1071 -4.8520 3 1351.1525B92  595161404743045 0    733044 0      C-13-H3C(O)CH3
  959437.5521  0.1071 -4.8520 3 1351.1525B92  595161404742945 0    732944 0      C-13-H3C(O)CH3
  959437.5521  0.1071 -5.6326 3 1351.1525B92  595161404742945 0    733044 0      C-13-H3C(O)CH3
  959461.3194  0.0183 -4.3881 3  526.3910364  595161404452521 4    442222 4      C-13-H3C(O)CH3
  959461.8156  0.0181 -4.3881 3  526.3911364  595161404452521 3    442222 3      C-13-H3C(O)CH3
  959582.8899  0.0246 -5.8739 3  307.4340552  595161404342411 2    331914 2      C-13-H3C(O)CH3
  959608.3820  0.5448 -4.9064 3 1176.2901A64  595161404663828 2    653927 2      C-13-H3C(O)CH3
  959696.1487  0.0379 -5.1517 3  430.0539324  595161404402713 4    392416 4      C-13-H3C(O)CH3
  959756.4044  0.0188 -5.4824 3  324.4196568  595161404352412 1    341915 1      C-13-H3C(O)CH3
  959876.9991  0.0300 -3.4481 3  752.1203776  5951614044848 0 1    4747 0 1      C-13-H3C(O)CH3
  959879.0292  0.0286 -3.4480 3  752.0458776  5951614044848 1 0    4747 1 0      C-13-H3C(O)CH3
  959879.0292  0.0286 -3.4480 3  752.0458776  5951614044848 0 0    4747 0 0      C-13-H3C(O)CH3
  959880.0456  0.0111 -3.8230 3  781.7575856  595161404533717 0    523616 0      C-13-H3C(O)CH3
  959902.6247  0.0724 -4.7282 3 1220.0958A96  595161404683533 0    673632 0      C-13-H3C(O)CH3
  959918.0735  0.0717 -4.7283 3 1220.1092A96  595161404683533 1    673632 1      C-13-H3C(O)CH3
  959918.0753  0.0114 -3.8234 3  781.8104856 -595161404533716 2    523616 2      C-13-H3C(O)CH3
  959919.0161  0.0745 -4.7283 3 1220.1121A96  595161404683533 2    673632 2      C-13-H3C(O)CH3
  959923.5388  0.0111 -3.8230 3  781.7565856  595161404533716 0    523617 0      C-13-H3C(O)CH3
  959928.3372  0.0728 -4.7282 3 1220.0951A96  595161404683633 0    673532 0      C-13-H3C(O)CH3
  959934.4636  0.0701 -5.0294 3 1220.1255548  595161404683533 3    673632 3      C-13-H3C(O)CH3
  959934.5006  0.0700 -5.0294 3 1220.1255548  595161404683533 4    673632 4      C-13-H3C(O)CH3
  959943.1923  0.0116 -3.8235 3  781.7968856 -595161404533716 1    523616 1      C-13-H3C(O)CH3
  959945.9080  0.0738 -4.7283 3 1220.1114A96  595161404683633 2    673532 2      C-13-H3C(O)CH3
  959946.5021  0.0716 -4.7283 3 1220.1084A96  595161404683633 1    673532 1      C-13-H3C(O)CH3
  959952.2548  0.1402 -5.9173 3  781.8233428  595161404533717 3    523616 3      C-13-H3C(O)CH3
  959956.7832  0.0173 -5.4855 3  324.4380568  595161404352412 0    341915 0      C-13-H3C(O)CH3
  959960.4638  0.0157 -4.1245 3  781.8503428  595161404533716 4    523616 4      C-13-H3C(O)CH3
  959963.3124  0.4373 -4.9048 3 1176.2759A64  595161404663828 0    653927 0      C-13-H3C(O)CH3
  959964.1664  0.0689 -5.0294 3 1220.1248548  595161404683633 4    673532 4      C-13-H3C(O)CH3
  959964.1804  0.0689 -5.0294 3 1220.1247548  595161404683633 3    673532 3      C-13-H3C(O)CH3
  959985.8632  0.0349 -3.7492 3  752.1777388  5951614044848 0 4    4747 0 4      C-13-H3C(O)CH3
  959987.3807  0.0306 -3.4480 3  752.1030776  5951614044848 0 2    4747 0 2      C-13-H3C(O)CH3
  960033.6919  0.0219 -5.8361 3  324.3899284  595161404352412 4    341915 4      C-13-H3C(O)CH3
  960042.4837  0.0257 -5.8347 3  324.3897284  595161404352412 3    341915 3      C-13-H3C(O)CH3
  960067.2564  0.0097 -3.7104 3  770.1096840 -595161404523913 2    513813 2      C-13-H3C(O)CH3
  960071.5850  0.0108 -3.8231 3  781.7698856 -595161404533717 1    523617 1      C-13-H3C(O)CH3
  960076.3124  0.0128 -4.0116 3  770.1418420  595161404523913 4    513813 4      C-13-H3C(O)CH3
  960087.7037  0.0163 -4.1310 3  781.8233428  595161404533716 3    523616 3      C-13-H3C(O)CH3
  960094.8859  0.0112 -3.8228 3  781.7773856 -595161404533717 2    523617 2      C-13-H3C(O)CH3
  960103.1734  0.0073 -3.7100 3  770.0666840 -595161404523914 0    513813 0      C-13-H3C(O)CH3
  960103.1734  0.0073 -3.7100 3  770.0666840 -595161404523913 0    513814 0      C-13-H3C(O)CH3
  960104.2685  0.0415 -3.7490 3  752.1132388  5951614044848 1 3    4747 1 3      C-13-H3C(O)CH3
  960105.6239  0.0373 -3.4478 3  752.0388776  5951614044848 1 2    4747 1 2      C-13-H3C(O)CH3
  960109.1843  0.0343 -3.4479 3  752.0762776  5951614044848 1 1    4747 1 1      C-13-H3C(O)CH3
  960110.2715  0.0854 -5.5585 3 1564.6179E64  595161404911081 0    901180 0      C-13-H3C(O)CH3
  960110.2715  0.0854 -5.0341 3 1564.6179E64  595161404911081 0    901080 0      C-13-H3C(O)CH3
  960110.2715  0.0854 -5.5585 3 1564.6179E64  595161404911181 0    901080 0      C-13-H3C(O)CH3
  960110.2715  0.0854 -5.0341 3 1564.6179E64  595161404911181 0    901180 0      C-13-H3C(O)CH3
  960112.0005  0.0088 -3.7102 3  770.0988840  595161404523913 1    513813 1      C-13-H3C(O)CH3
  960124.2911  0.0970 -5.5434 3 1370.8207604  595161404752847 4    742846 4      C-13-H3C(O)CH3
  960124.2911  0.0970 -5.2968 3 1370.8207604  595161404752847 4    742946 4      C-13-H3C(O)CH3
  960124.2911  0.0970 -5.5434 3 1370.8207604  595161404752947 4    742946 4      C-13-H3C(O)CH3
  960124.2911  0.0970 -5.2968 3 1370.8207604  595161404752947 4    742846 4      C-13-H3C(O)CH3
  960124.2975  0.0970 -5.1565 3 1370.8207604  595161404752947 3    742946 3      C-13-H3C(O)CH3
  960124.2975  0.0970 -5.1565 3 1370.8207604  595161404752847 3    742846 3      C-13-H3C(O)CH3
  960124.8288  0.1143 -5.5795 3 1370.7994C08  595161404752847 1    742946 1      C-13-H3C(O)CH3
  960124.8288  0.1143 -5.5795 3 1370.7994C08  595161404752947 1    742846 1      C-13-H3C(O)CH3
  960124.8288  0.1143 -4.8798 3 1370.7994C08  595161404752947 1    742946 1      C-13-H3C(O)CH3
  960124.8288  0.1143 -4.8798 3 1370.7994C08  595161404752847 1    742846 1      C-13-H3C(O)CH3
  960128.0040  0.1153 -4.8041 3 1370.8016C08  595161404752947 2    742846 2      C-13-H3C(O)CH3
  960128.0040  0.1153 -4.8041 3 1370.8016C08  595161404752847 2    742946 2      C-13-H3C(O)CH3
  960128.5425  0.1129 -4.8015 3 1370.7803C08  595161404752947 0    742946 0      C-13-H3C(O)CH3
  960128.5425  0.1129 -4.8455 3 1370.7803C08  595161404752847 0    742846 0      C-13-H3C(O)CH3
  960137.4427  0.0164 -4.1308 3  781.8171428  595161404533717 3    523617 3      C-13-H3C(O)CH3
  960144.1025  0.0904 -5.0549 3 1564.6141E64  595161404911081 2    901180 2      C-13-H3C(O)CH3
  960144.1025  0.0904 -5.4956 3 1564.6141E64  595161404911081 2    901080 2      C-13-H3C(O)CH3
  960144.1025  0.0904 -5.4956 3 1564.6141E64  595161404911181 2    901180 2      C-13-H3C(O)CH3
  960144.1025  0.0904 -5.0549 3 1564.6141E64  595161404911181 2    901080 2      C-13-H3C(O)CH3
  960144.2005  0.0961 -4.9300 3 1564.6144E64  595161404911081 1    901180 1      C-13-H3C(O)CH3
  960144.2005  0.0961 -4.9300 3 1564.6144E64  595161404911181 1    901080 1      C-13-H3C(O)CH3
  960178.0521  0.0849 -5.2717 3 1564.6107732  595161404911081 3    901080 3      C-13-H3C(O)CH3
  960178.0521  0.0849 -5.2717 3 1564.6107732  595161404911181 3    901180 3      C-13-H3C(O)CH3
  960178.0953  0.0849 -5.2513 3 1564.6106732  595161404911181 4    901080 4      C-13-H3C(O)CH3
  960178.0953  0.0849 -5.2513 3 1564.6106732  595161404911081 4    901180 4      C-13-H3C(O)CH3
  960198.0570  0.0132 -4.0114 3  770.1242420  595161404523914 3    513814 3      C-13-H3C(O)CH3
  960218.2360  0.0410 -3.7489 3  752.1335388  5951614044848 0 3    4747 0 3      C-13-H3C(O)CH3
  960229.4473  0.0093 -3.7100 3  770.0961840 -595161404523914 2    513814 2      C-13-H3C(O)CH3
  960233.3906  0.0091 -3.7100 3  770.0813840 -595161404523914 1    513814 1      C-13-H3C(O)CH3
  960238.5500  0.0122 -4.0112 3  770.1283420  595161404523913 3    513813 3      C-13-H3C(O)CH3
  960245.8197  0.0198 -5.5391 3  324.4081568  595161404352412 2    341915 2      C-13-H3C(O)CH3
  960264.6912  0.0168 -4.1234 3  781.7901428  595161404533717 4    523617 4      C-13-H3C(O)CH3
  960272.8916  0.1416 -5.9171 3  781.8171428  595161404533716 3    523617 3      C-13-H3C(O)CH3
  960335.9065  0.0530 -3.7487 3  752.0692388  5951614044848 1 4    4747 1 4      C-13-H3C(O)CH3
  960349.9496  0.1317 -5.6549 3 1503.9141D52  595161404841866 0    831965 0      C-13-H3C(O)CH3
  960349.9496  0.1317 -4.9803 3 1503.9141D52  595161404841866 0    831865 0      C-13-H3C(O)CH3
  960349.9496  0.1317 -5.6549 3 1503.9141D52  595161404841966 0    831865 0      C-13-H3C(O)CH3
  960349.9496  0.1317 -4.9803 3 1503.9141D52  595161404841966 0    831965 0      C-13-H3C(O)CH3
  960360.3697  0.0137 -4.0110 3  770.1107420  595161404523914 4    513814 4      C-13-H3C(O)CH3
  960366.8490  0.1358 -5.2021 3 1503.9337D52  595161404841866 1    831965 1      C-13-H3C(O)CH3
  960366.8490  0.1358 -5.1940 3 1503.9337D52  595161404841866 1    831865 1      C-13-H3C(O)CH3
  960366.8490  0.1358 -5.2021 3 1503.9337D52  595161404841966 1    831865 1      C-13-H3C(O)CH3
  960366.8490  0.1358 -5.1940 3 1503.9337D52  595161404841966 1    831965 1      C-13-H3C(O)CH3
  960369.7115  0.1393 -5.0230 3 1503.9346D52  595161404841966 2    831865 2      C-13-H3C(O)CH3
  960369.7115  0.1393 -5.4959 3 1503.9346D52  595161404841966 2    831965 2      C-13-H3C(O)CH3
  960369.7115  0.1393 -5.0230 3 1503.9346D52  595161404841866 2    831965 2      C-13-H3C(O)CH3
  960369.7115  0.1393 -5.4959 3 1503.9346D52  595161404841866 2    831865 2      C-13-H3C(O)CH3
  960386.6371  0.1058 -5.1986 3 1503.9542676  595161404841966 3    831965 3      C-13-H3C(O)CH3
  960386.6371  0.1058 -5.1986 3 1503.9542676  595161404841866 3    831865 3      C-13-H3C(O)CH3
  960386.6653  0.1058 -5.5498 3 1503.9542676  595161404841966 4    831965 4      C-13-H3C(O)CH3
  960386.6653  0.1058 -5.4537 3 1503.9542676  595161404841866 4    831965 4      C-13-H3C(O)CH3
  960386.6653  0.1058 -5.5498 3 1503.9542676  595161404841866 4    831865 4      C-13-H3C(O)CH3
  960386.6653  0.1058 -5.4537 3 1503.9542676  595161404841966 4    831865 4      C-13-H3C(O)CH3
  960564.6758  0.0096 -4.5754 3  352.0779324  595161404401328 4    391129 4      C-13-H3C(O)CH3
  960564.6758  0.0096 -4.5799 3  352.0779324  595161404401228 4    391029 4      C-13-H3C(O)CH3
  960565.1592  0.0093 -4.5768 3  352.0779324  595161404401328 3    391029 3      C-13-H3C(O)CH3
  960565.1592  0.0093 -4.5768 3  352.0779324  595161404401228 3    391129 3      C-13-H3C(O)CH3
  960575.4999  0.0240 -4.0019 3  796.1022872  595161404543519 0    533420 0      C-13-H3C(O)CH3
  960672.2135  0.0092 -4.3695 3  352.1013648  595161404401228 2    391029 2      C-13-H3C(O)CH3
  960672.2135  0.0092 -4.9730 3  352.1013648  595161404401228 2    391129 2      C-13-H3C(O)CH3
  960672.2135  0.0092 -5.1574 3  352.1013648  595161404401328 2    391029 2      C-13-H3C(O)CH3
  960672.2135  0.0092 -4.3335 3  352.1013648  595161404401328 2    391129 2      C-13-H3C(O)CH3
  960678.2586  0.0093 -4.4567 3  352.1023648  595161404401328 1    391029 1      C-13-H3C(O)CH3
  960678.2586  0.0093 -4.7349 3  352.1023648  595161404401328 1    391129 1      C-13-H3C(O)CH3
  960678.2586  0.0093 -4.7349 3  352.1023648  595161404401228 1    391029 1      C-13-H3C(O)CH3
  960678.2586  0.0093 -4.4567 3  352.1023648  595161404401228 1    391129 1      C-13-H3C(O)CH3
  960703.8452  0.0264 -5.2210 3 1591.0327788  59516140498 396 4    97 395 4      C-13-H3C(O)CH3
  960703.8452  0.0264 -5.2210 3 1591.0327788  59516140498 296 4    97 295 4      C-13-H3C(O)CH3
  960703.8595  0.0264 -5.1967 3 1591.0327788  59516140498 296 3    97 395 3      C-13-H3C(O)CH3
  960703.8595  0.0264 -5.1967 3 1591.0327788  59516140498 396 3    97 295 3      C-13-H3C(O)CH3
  960726.1722  0.0329 -4.8918 3 1591.0498F76  59516140498 396 2    97 295 2      C-13-H3C(O)CH3
  960726.1916  0.0265 -4.9436 3 1591.0504F76 -59516140498 396 1    97 295 1      C-13-H3C(O)CH3
  960726.1916  0.0265 -4.9436 3 1591.0504F76 -59516140498 296 1    97 395 1      C-13-H3C(O)CH3
  960726.1916  0.0329 -4.8918 3 1591.0498F76 -59516140498 296 2    97 395 2      C-13-H3C(O)CH3
  960726.3614  0.0265 -5.8324 3 1591.0504F76  59516140498 296 1    97 295 1      C-13-H3C(O)CH3
  960726.3614  0.0265 -5.8324 3 1591.0504F76  59516140498 396 1    97 395 1      C-13-H3C(O)CH3
  960748.6635  0.0244 -4.9112 3 1591.0675F76  59516140498 396 0    97 295 0      C-13-H3C(O)CH3
  960748.6635  0.0244 -4.9112 3 1591.0675F76  59516140498 296 0    97 395 0      C-13-H3C(O)CH3
  960785.1587  0.0080 -4.6493 3  352.1258648  595161404401328 0    391029 0      C-13-H3C(O)CH3
  960785.1587  0.0080 -4.5096 3  352.1258648  595161404401328 0    391129 0      C-13-H3C(O)CH3
  960785.1587  0.0080 -4.6493 3  352.1258648  595161404401228 0    391129 0      C-13-H3C(O)CH3
  960785.1587  0.0080 -4.5096 3  352.1258648  595161404401228 0    391029 0      C-13-H3C(O)CH3
  960834.9555  0.0241 -4.3035 3  796.1378436  595161404543519 3    533420 3      C-13-H3C(O)CH3
  960888.1940  0.0497 -4.0457 3  796.1160872  595161404543519 1    533420 1      C-13-H3C(O)CH3
  960900.4754  0.1205 -5.9384 3 1389.8426C24  595161404762749 1    752748 1      C-13-H3C(O)CH3
  960900.4754  0.1205 -4.8393 3 1389.8426C24  595161404762749 1    752848 1      C-13-H3C(O)CH3
  960900.4754  0.1205 -4.8498 3 1389.8426C24  595161404762849 1    752848 1      C-13-H3C(O)CH3
  960900.4754  0.1205 -5.1196 3 1389.8426C24  595161404762849 1    752748 1      C-13-H3C(O)CH3
  960900.6274  0.1002 -5.4075 3 1389.8642612  595161404762749 4    752748 4      C-13-H3C(O)CH3
  960900.6274  0.1002 -5.4298 3 1389.8642612  595161404762849 4    752748 4      C-13-H3C(O)CH3
  960900.6274  0.1002 -5.4075 3 1389.8642612  595161404762849 4    752848 4      C-13-H3C(O)CH3
  960900.6274  0.1002 -5.4298 3 1389.8642612  595161404762749 4    752848 4      C-13-H3C(O)CH3
  960900.6312  0.1002 -5.4438 3 1389.8642612  595161404762849 3    752748 3      C-13-H3C(O)CH3
  960900.6312  0.1002 -5.3945 3 1389.8642612  595161404762849 3    752848 3      C-13-H3C(O)CH3
  960900.6312  0.1002 -5.3945 3 1389.8642612  595161404762749 3    752748 3      C-13-H3C(O)CH3
  960900.6312  0.1002 -5.4438 3 1389.8642612  595161404762749 3    752848 3      C-13-H3C(O)CH3
  960903.7634  0.1184 -4.8188 3 1389.8231C24  595161404762749 0    752748 0      C-13-H3C(O)CH3
  960903.7634  0.1184 -4.8188 3 1389.8231C24  595161404762849 0    752848 0      C-13-H3C(O)CH3
  960903.9108  0.1212 -5.8660 3 1389.8447C24  595161404762849 2    752848 2      C-13-H3C(O)CH3
  960903.9108  0.1212 -4.8570 3 1389.8447C24  595161404762849 2    752748 2      C-13-H3C(O)CH3
  960903.9108  0.1212 -4.8570 3 1389.8447C24  595161404762749 2    752848 2      C-13-H3C(O)CH3
  960903.9108  0.1212 -5.8660 3 1389.8447C24  595161404762749 2    752748 2      C-13-H3C(O)CH3
  960996.9487  0.0722 -4.0674 3  796.1179872  595161404543519 2    533420 2      C-13-H3C(O)CH3
  961325.4490  0.2484 -4.4655 3  942.0859952  595161404593624 0    583523 0      C-13-H3C(O)CH3
  961326.1014  0.0858 -5.0793 3 1573.7780E80  595161404921083 0    911082 0      C-13-H3C(O)CH3
  961326.1014  0.0858 -5.4544 3 1573.7780E80  59516140492 983 0    911082 0      C-13-H3C(O)CH3
  961326.1014  0.0858 -5.0793 3 1573.7780E80  59516140492 983 0    91 982 0      C-13-H3C(O)CH3
  961326.1014  0.0858 -5.4544 3 1573.7780E80  595161404921083 0    91 982 0      C-13-H3C(O)CH3
  961357.8876  0.0974 -4.9273 3 1573.7685E80  59516140492 983 2    91 982 2      C-13-H3C(O)CH3
  961357.8876  0.0974 -4.9273 3 1573.7685E80  595161404921083 2    911082 2      C-13-H3C(O)CH3
  961358.0854  0.1047 -4.9488 3 1573.7687E80  59516140492 983 1    91 982 1      C-13-H3C(O)CH3
  961358.0854  0.1047 -4.9488 3 1573.7687E80  595161404921083 1    911082 1      C-13-H3C(O)CH3
  961389.8867  0.0831 -5.3588 3 1573.7592740  59516140492 983 3    911082 3      C-13-H3C(O)CH3
  961389.8867  0.0831 -5.3588 3 1573.7592740  595161404921083 3    91 982 3      C-13-H3C(O)CH3
  961389.8867  0.0831 -5.8110 3 1573.7592740  595161404921083 3    911082 3      C-13-H3C(O)CH3
  961389.8867  0.0831 -5.8110 3 1573.7592740  59516140492 983 3    91 982 3      C-13-H3C(O)CH3
  961389.9256  0.0831 -5.5274 3 1573.7591740  59516140492 983 4    911082 4      C-13-H3C(O)CH3
  961389.9256  0.0831 -5.5296 3 1573.7591740  595161404921083 4    911082 4      C-13-H3C(O)CH3
  961389.9256  0.0831 -5.5296 3 1573.7591740  59516140492 983 4    91 982 4      C-13-H3C(O)CH3
  961389.9256  0.0831 -5.5274 3 1573.7591740  595161404921083 4    91 982 4      C-13-H3C(O)CH3
  961452.6148  0.1289 -4.9135 3 1517.3781D68  595161404851768 0    841867 0      C-13-H3C(O)CH3
  961452.6148  0.1289 -4.9135 3 1517.3781D68  595161404851868 0    841767 0      C-13-H3C(O)CH3
  961472.5909  0.1318 -4.9799 3 1517.3968D68  595161404851868 1    841767 1      C-13-H3C(O)CH3
  961472.5909  0.1318 -5.7308 3 1517.3968D68  595161404851868 1    841867 1      C-13-H3C(O)CH3
  961472.5909  0.1318 -5.7308 3 1517.3968D68  595161404851768 1    841767 1      C-13-H3C(O)CH3
  961472.5909  0.1318 -4.9799 3 1517.3968D68  595161404851768 1    841867 1      C-13-H3C(O)CH3
  961475.0990  0.1358 -5.1936 3 1517.3975D68  595161404851868 2    841767 2      C-13-H3C(O)CH3
  961475.0990  0.1358 -5.1936 3 1517.3975D68  595161404851768 2    841867 2      C-13-H3C(O)CH3
  961475.0990  0.1358 -5.2271 3 1517.3975D68  595161404851768 2    841767 2      C-13-H3C(O)CH3
  961475.0990  0.1358 -5.2271 3 1517.3975D68  595161404851868 2    841867 2      C-13-H3C(O)CH3
  961495.1031  0.1049 -5.2102 3 1517.4162684  595161404851868 3    841767 3      C-13-H3C(O)CH3
  961495.1031  0.1049 -5.2102 3 1517.4162684  595161404851768 3    841867 3      C-13-H3C(O)CH3
  961495.1344  0.1049 -5.3081 3 1517.4162684  595161404851868 4    841867 4      C-13-H3C(O)CH3
  961495.1344  0.1049 -5.9045 3 1517.4162684  595161404851868 4    841767 4      C-13-H3C(O)CH3
  961495.1344  0.1049 -5.9045 3 1517.4162684  595161404851768 4    841867 4      C-13-H3C(O)CH3
  961495.1344  0.1049 -5.3081 3 1517.4162684  595161404851768 4    841767 4      C-13-H3C(O)CH3
  961537.2401  0.0130 -5.4188 3  316.8307568  595161404352214 0    341717 0      C-13-H3C(O)CH3
  961578.9677  0.0126 -5.4177 3  316.8085568  595161404352214 1    341717 1      C-13-H3C(O)CH3
  961646.8566  0.0127 -5.4190 3  316.8037568  595161404352214 2    341717 2      C-13-H3C(O)CH3
  961683.7896  0.0123 -5.7186 3  316.7814284  595161404352214 4    341717 4      C-13-H3C(O)CH3
  961687.4771  0.0122 -5.7186 3  316.7814284  595161404352214 3    341717 3      C-13-H3C(O)CH3
  961713.5656  0.1473 -4.4883 3  796.1261436  595161404543519 4    533420 4      C-13-H3C(O)CH3
  961742.5630  0.1264 -4.9335 3 1408.3097C40  595161404772651 1    762750 1      C-13-H3C(O)CH3
  961742.5630  0.1264 -5.5138 3 1408.3097C40  595161404772751 1    762750 1      C-13-H3C(O)CH3
  961742.5630  0.1264 -5.5138 3 1408.3097C40  595161404772651 1    762650 1      C-13-H3C(O)CH3
  961742.5630  0.1264 -4.9335 3 1408.3097C40  595161404772751 1    762650 1      C-13-H3C(O)CH3
  961743.7370  0.1031 -5.1351 3 1408.3317620  595161404772651 4    762650 4      C-13-H3C(O)CH3
  961743.7370  0.1031 -5.1564 3 1408.3317620  595161404772751 4    762750 4      C-13-H3C(O)CH3
  961743.7380  0.1031 -5.1872 3 1408.3316620  595161404772751 3    762650 3      C-13-H3C(O)CH3
  961743.7380  0.1031 -5.1872 3 1408.3316620  595161404772651 3    762750 3      C-13-H3C(O)CH3
  961745.0464  0.1236 -4.8482 3 1408.2899C40  595161404772751 0    762750 0      C-13-H3C(O)CH3
  961745.0464  0.1236 -4.8482 3 1408.2899C40  595161404772651 0    762650 0      C-13-H3C(O)CH3
  961746.2115  0.1270 -4.9240 3 1408.3118C40  595161404772751 2    762650 2      C-13-H3C(O)CH3
  961746.2115  0.1270 -5.5519 3 1408.3118C40  595161404772751 2    762750 2      C-13-H3C(O)CH3
  961746.2115  0.1270 -4.9240 3 1408.3118C40  595161404772651 2    762750 2      C-13-H3C(O)CH3
  961746.2115  0.1270 -5.5519 3 1408.3118C40  595161404772651 2    762650 2      C-13-H3C(O)CH3
  961880.0606  0.0140 -3.4943 3  755.8905792  5951614044946 3 0    4845 4 0      C-13-H3C(O)CH3
  961880.0606  0.0140 -3.4943 3  755.8905792  5951614044946 4 0    4845 3 0      C-13-H3C(O)CH3
  961910.3968  0.0150 -3.4943 3  755.9429792  5951614044946 3 1    4845 3 1      C-13-H3C(O)CH3
  961943.0230  0.0154 -3.4942 3  755.9189792  5951614044946 3 2    4845 3 2      C-13-H3C(O)CH3
  961973.8448  0.0204 -3.7953 3  755.9712396  5951614044946 3 4    4845 3 4      C-13-H3C(O)CH3
  962014.5215  0.0169 -3.4942 3  755.8814792  5951614044946 4 2    4845 4 2      C-13-H3C(O)CH3
  962023.1891  0.0237 -5.3209 3 1595.9601796  59516140499 198 3    98 297 3      C-13-H3C(O)CH3
  962023.1891  0.0237 -5.7780 3 1595.9601796  59516140499 198 3    98 197 3      C-13-H3C(O)CH3
  962023.1891  0.0237 -5.3209 3 1595.9601796  59516140499 298 3    98 197 3      C-13-H3C(O)CH3
  962023.1891  0.0237 -5.7780 3 1595.9601796  59516140499 298 3    98 297 3      C-13-H3C(O)CH3
  962023.2147  0.0237 -5.4791 3 1595.9602796  59516140499 198 4    98 297 4      C-13-H3C(O)CH3
  962023.2147  0.0237 -5.5051 3 1595.9602796  59516140499 198 4    98 197 4      C-13-H3C(O)CH3
  962023.2147  0.0237 -5.4791 3 1595.9602796  59516140499 298 4    98 197 4      C-13-H3C(O)CH3
  962023.2147  0.0237 -5.5051 3 1595.9602796  59516140499 298 4    98 297 4      C-13-H3C(O)CH3
  962043.5090  0.0339 -4.8927 3 1595.9493F92  59516140499 198 2    98 297 2      C-13-H3C(O)CH3
  962043.5090  0.0339 -4.8927 3 1595.9493F92  59516140499 298 2    98 197 2      C-13-H3C(O)CH3
  962043.8041  0.0257 -5.1568 3 1595.9499F92  59516140499 198 1    98 197 1      C-13-H3C(O)CH3
  962043.8041  0.0257 -5.2278 3 1595.9499F92  59516140499 198 1    98 297 1      C-13-H3C(O)CH3
  962043.8041  0.0257 -5.1568 3 1595.9499F92  59516140499 298 1    98 297 1      C-13-H3C(O)CH3
  962043.8041  0.0257 -5.2278 3 1595.9499F92  59516140499 298 1    98 197 1      C-13-H3C(O)CH3
  962044.8436  0.0221 -3.7952 3  755.9338396  5951614044946 3 3    4845 3 3      C-13-H3C(O)CH3
  962046.0564  0.0674 -4.7389 3 1195.6625A80  595161404673631 0    663730 0      C-13-H3C(O)CH3
  962058.8022  0.0680 -4.7392 3 1195.6735A80  595161404673631 1    663730 1      C-13-H3C(O)CH3
  962064.0755  0.0219 -4.9485 3 1595.9391F92  59516140499 298 0    98 197 0      C-13-H3C(O)CH3
  962064.0755  0.0219 -5.7874 3 1595.9391F92  59516140499 198 0    98 197 0      C-13-H3C(O)CH3
  962064.0755  0.0219 -4.9485 3 1595.9391F92  59516140499 198 0    98 297 0      C-13-H3C(O)CH3
  962064.0755  0.0219 -5.7874 3 1595.9391F92  59516140499 298 0    98 297 0      C-13-H3C(O)CH3
  962067.4948  0.0739 -4.7391 3 1195.6767A80  595161404673631 2    663730 2      C-13-H3C(O)CH3
  962069.4666  0.0162 -3.4941 3  755.9015792  5951614044946 4 1    4845 4 1      C-13-H3C(O)CH3
  962079.6967  0.0720 -5.0404 3 1195.6878540  595161404673631 3    663730 3      C-13-H3C(O)CH3
  962080.0516  0.0715 -5.0404 3 1195.6878540  595161404673631 4    663730 4      C-13-H3C(O)CH3
  962114.6235  0.1739 -5.0837 3 1170.2926532  595161404663729 3    653828 3      C-13-H3C(O)CH3
  962117.4284  0.1687 -5.0837 3 1170.2926532  595161404663729 4    653828 4      C-13-H3C(O)CH3
  962132.3423  0.0222 -3.7951 3  755.9298396  5951614044946 4 3    4845 4 3      C-13-H3C(O)CH3
  962190.0849  0.1532 -4.7821 3 1170.2800A64  595161404663729 1    653828 1      C-13-H3C(O)CH3
  962203.3366  0.0256 -3.7950 3  755.8924396  5951614044946 4 4    4845 4 4      C-13-H3C(O)CH3
  962229.7275  0.2165 -4.4635 3  942.0685952  595161404593624 1    583523 1      C-13-H3C(O)CH3
  962239.1911  0.3138 -4.4635 3  942.0683952  595161404593624 2    583523 2      C-13-H3C(O)CH3
  962265.7245  0.1952 -4.7818 3 1170.2827A64  595161404663729 2    653828 2      C-13-H3C(O)CH3
  962336.3291  0.1577 -4.7812 3 1170.2702A64  595161404663729 0    653828 0      C-13-H3C(O)CH3
  962339.7986  0.0450 -4.3129 3  567.1256744  595161404462918 0    452619 0      C-13-H3C(O)CH3
  962525.0009  0.0117 -5.0025 3  311.6878316  59516140439 930 4    38 831 4      C-13-H3C(O)CH3
  962525.0009  0.0117 -5.0835 3  311.6878316  595161404391030 4    38 831 4      C-13-H3C(O)CH3
  962525.0009  0.0117 -5.0835 3  311.6878316  59516140439 930 4    38 731 4      C-13-H3C(O)CH3
  962525.0009  0.0117 -5.0025 3  311.6878316  595161404391030 4    38 731 4      C-13-H3C(O)CH3
  962525.6187  0.0109 -5.9681 3  311.6878316  59516140439 930 3    38 731 3      C-13-H3C(O)CH3
  962525.6187  0.0109 -4.7666 3  311.6878316  59516140439 930 3    38 831 3      C-13-H3C(O)CH3
  962525.6187  0.0109 -5.9681 3  311.6878316  595161404391030 3    38 831 3      C-13-H3C(O)CH3
  962525.6187  0.0109 -4.7666 3  311.6878316  595161404391030 3    38 731 3      C-13-H3C(O)CH3
  962557.1255  0.0877 -5.4973 3 1582.4102E96  59516140493 885 0    92 884 0      C-13-H3C(O)CH3
  962557.1255  0.0877 -5.4973 3 1582.4102E96  59516140493 985 0    92 984 0      C-13-H3C(O)CH3
  962557.1255  0.0877 -5.0694 3 1582.4102E96  59516140493 985 0    92 884 0      C-13-H3C(O)CH3
  962557.1255  0.0877 -5.0694 3 1582.4102E96  59516140493 885 0    92 984 0      C-13-H3C(O)CH3
  962571.0683  0.1247 -4.9902 3 1530.3037D84  595161404861770 0    851769 0      C-13-H3C(O)CH3
  962571.0683  0.1247 -4.9902 3 1530.3037D84  595161404861670 0    851669 0      C-13-H3C(O)CH3
  962571.0683  0.1247 -5.7478 3 1530.3037D84  595161404861670 0    851769 0      C-13-H3C(O)CH3
  962571.0683  0.1247 -5.7478 3 1530.3037D84  595161404861770 0    851669 0      C-13-H3C(O)CH3
  962585.1960  0.1061 -4.9463 3 1582.3944E96  59516140493 885 2    92 984 2      C-13-H3C(O)CH3
  962585.1960  0.1061 -4.9463 3 1582.3944E96  59516140493 985 2    92 884 2      C-13-H3C(O)CH3
  962585.3974  0.1137 -4.9319 3 1582.3946E96  59516140493 885 1    92 884 1      C-13-H3C(O)CH3
  962585.3974  0.1137 -4.9319 3 1582.3946E96  59516140493 985 1    92 984 1      C-13-H3C(O)CH3
  962594.1641  0.1260 -4.9984 3 1530.3211D84  595161404861770 1    851669 1      C-13-H3C(O)CH3
  962594.1641  0.1260 -5.7040 3 1530.3211D84  595161404861670 1    851669 1      C-13-H3C(O)CH3
  962594.1641  0.1260 -4.9984 3 1530.3211D84  595161404861670 1    851769 1      C-13-H3C(O)CH3
  962594.1641  0.1260 -5.7040 3 1530.3211D84  595161404861770 1    851769 1      C-13-H3C(O)CH3
  962596.2742  0.1304 -4.9225 3 1530.3217D84  595161404861770 2    851769 2      C-13-H3C(O)CH3
  962596.2742  0.1304 -4.9225 3 1530.3217D84  595161404861670 2    851669 2      C-13-H3C(O)CH3
  962613.4775  0.0808 -5.2827 3 1582.3787748  59516140493 885 3    92 984 3      C-13-H3C(O)CH3
  962613.4775  0.0808 -5.2827 3 1582.3787748  59516140493 985 3    92 884 3      C-13-H3C(O)CH3
  962613.5085  0.0809 -5.2932 3 1582.3787748  59516140493 985 4    92 984 4      C-13-H3C(O)CH3
  962613.5085  0.0809 -5.2932 3 1582.3787748  59516140493 885 4    92 884 4      C-13-H3C(O)CH3
  962619.3996  0.1035 -5.2349 3 1530.3391692  595161404861770 3    851769 3      C-13-H3C(O)CH3
  962619.3996  0.1035 -5.2349 3 1530.3391692  595161404861670 3    851669 3      C-13-H3C(O)CH3
  962619.4339  0.1035 -5.7664 3 1530.3391692  595161404861770 4    851769 4      C-13-H3C(O)CH3
  962619.4339  0.1035 -5.3671 3 1530.3391692  595161404861770 4    851669 4      C-13-H3C(O)CH3
  962619.4339  0.1035 -5.3671 3 1530.3391692  595161404861670 4    851769 4      C-13-H3C(O)CH3
  962619.4339  0.1035 -5.7664 3 1530.3391692  595161404861670 4    851669 4      C-13-H3C(O)CH3
  962637.8453  0.1320 -5.0070 3 1426.2081C56  595161404782653 1    772652 1      C-13-H3C(O)CH3
  962637.8453  0.1320 -5.3609 3 1426.2081C56  595161404782653 1    772552 1      C-13-H3C(O)CH3
  962637.8453  0.1320 -5.3609 3 1426.2081C56  595161404782553 1    772652 1      C-13-H3C(O)CH3
  962637.8453  0.1320 -5.0070 3 1426.2081C56  595161404782553 1    772552 1      C-13-H3C(O)CH3
  962639.1751  0.1284 -4.9928 3 1426.1879C56  595161404782553 0    772552 0      C-13-H3C(O)CH3
  962639.1751  0.1284 -4.8500 3 1426.1879C56  595161404782653 0    772652 0      C-13-H3C(O)CH3
  962639.1751  0.1284 -5.3948 3 1426.1879C56  595161404782653 0    772552 0      C-13-H3C(O)CH3
  962640.3358  0.1057 -5.4783 3 1426.2303628  595161404782653 3    772552 3      C-13-H3C(O)CH3
  962640.3358  0.1057 -5.4233 3 1426.2303628  595161404782653 3    772652 3      C-13-H3C(O)CH3
  962640.3358  0.1057 -5.4233 3 1426.2303628  595161404782553 3    772552 3      C-13-H3C(O)CH3
  962640.3358  0.1057 -5.4783 3 1426.2303628  595161404782553 3    772652 3      C-13-H3C(O)CH3
  962640.3378  0.1057 -5.2636 3 1426.2303628  595161404782653 4    772652 4      C-13-H3C(O)CH3
  962640.3378  0.1057 -5.7833 3 1426.2303628  595161404782653 4    772552 4      C-13-H3C(O)CH3
  962640.3378  0.1057 -5.7833 3 1426.2303628  595161404782553 4    772652 4      C-13-H3C(O)CH3
  962640.3378  0.1057 -5.2636 3 1426.2303628  595161404782553 4    772552 4      C-13-H3C(O)CH3
  962641.6542  0.1326 -4.8482 3 1426.2101C56  595161404782553 2    772652 2      C-13-H3C(O)CH3
  962641.6542  0.1326 -4.8482 3 1426.2101C56  595161404782653 2    772552 2      C-13-H3C(O)CH3
  962684.8258  0.0736 -4.7382 3 1195.6464A80  595161404673731 0    663630 0      C-13-H3C(O)CH3
  962729.8359  0.0666 -4.7384 3 1195.6600A80  595161404673731 2    663630 2      C-13-H3C(O)CH3
  962741.1485  0.0685 -4.7384 3 1195.6564A80  595161404673731 1    663630 1      C-13-H3C(O)CH3
  962786.7646  0.0570 -5.0396 3 1195.6701540  595161404673731 4    663630 4      C-13-H3C(O)CH3
  962787.0027  0.0569 -5.0396 3 1195.6700540  595161404673731 3    663630 3      C-13-H3C(O)CH3
  962795.6466  0.0099 -4.5241 3  311.6998632  595161404391030 2    38 831 2      C-13-H3C(O)CH3
  962795.6466  0.0099 -5.1872 3  311.6998632  595161404391030 2    38 731 2      C-13-H3C(O)CH3
  962795.6466  0.0099 -4.5241 3  311.6998632  59516140439 930 2    38 731 2      C-13-H3C(O)CH3
  962795.6466  0.0099 -5.1872 3  311.6998632  59516140439 930 2    38 831 2      C-13-H3C(O)CH3
  962800.6405  0.0102 -4.4392 3  311.7005632  595161404391030 1    38 831 1      C-13-H3C(O)CH3
  962800.6405  0.0102 -4.4392 3  311.7005632  59516140439 930 1    38 731 1      C-13-H3C(O)CH3
  962801.6864  0.0375 -4.3148 3  567.1035744  595161404462918 1    452619 1      C-13-H3C(O)CH3
  963066.0803  0.1863 -5.4187 3  801.6832436  595161404543619 4    533518 4      C-13-H3C(O)CH3
  963070.2098  0.0094 -4.5541 3  311.7125632  59516140439 930 0    38 731 0      C-13-H3C(O)CH3
  963070.2098  0.0094 -5.0700 3  311.7125632  59516140439 930 0    38 831 0      C-13-H3C(O)CH3
  963070.2098  0.0094 -5.0700 3  311.7125632  595161404391030 0    38 731 0      C-13-H3C(O)CH3
  963070.2098  0.0094 -4.5541 3  311.7125632  595161404391030 0    38 831 0      C-13-H3C(O)CH3
  963114.7054  0.2608 -4.7629 3  942.0516476  595161404593624 4    583523 4      C-13-H3C(O)CH3
  963147.6774  0.0558 -4.3173 3  567.0920744  595161404462918 2    452619 2      C-13-H3C(O)CH3
  963165.0397  0.2810 -4.7622 3  942.0508476  595161404593624 3    583523 3      C-13-H3C(O)CH3
  963353.9859  0.0071 -4.1297 3  423.7663680  595161404421725 0    411626 0      C-13-H3C(O)CH3
  963353.9873  0.0071 -4.1297 3  423.7663680  595161404421825 0    411526 0      C-13-H3C(O)CH3
  963368.8215  0.0398 -5.6757 3 1600.3817804  595161404A0 1A0 4    99 099 4      C-13-H3C(O)CH3
  963368.8215  0.0398 -5.3604 3 1600.3817804  595161404A0 0A0 4    99 099 4      C-13-H3C(O)CH3
  963368.8215  0.0398 -5.6757 3 1600.3817804  595161404A0 0A0 4    99 199 4      C-13-H3C(O)CH3
  963368.8215  0.0398 -5.3604 3 1600.3817804  595161404A0 1A0 4    99 199 4      C-13-H3C(O)CH3
  963368.8461  0.0399 -5.2064 3 1600.3817804  595161404A0 1A0 3    99 099 3      C-13-H3C(O)CH3
  963368.8461  0.0399 -5.2064 3 1600.3817804  595161404A0 0A0 3    99 199 3      C-13-H3C(O)CH3
  963370.8090  0.0390 -4.9289 3 1600.3207G08  595161404A0 1A0 1    99 099 1      C-13-H3C(O)CH3
  963370.8090  0.0390 -4.9417 3 1600.3207G08  595161404A0 0A0 1    99 199 1      C-13-H3C(O)CH3
  963370.8090  0.0390 -5.8212 3 1600.3207G08  595161404A0 0A0 1    99 099 1      C-13-H3C(O)CH3
  963370.8090  0.0390 -5.9327 3 1600.3207G08  595161404A0 1A0 1    99 199 1      C-13-H3C(O)CH3
  963371.0152  0.0573 -4.9424 3 1600.3207G08  595161404A0 1A0 2    99 199 2      C-13-H3C(O)CH3
  963371.0152  0.0573 -4.9424 3 1600.3207G08  595161404A0 0A0 2    99 099 2      C-13-H3C(O)CH3
  963371.0152  0.0573 -5.8155 3 1600.3207G08  595161404A0 0A0 2    99 199 2      C-13-H3C(O)CH3
  963371.0152  0.0573 -5.8155 3 1600.3207G08  595161404A0 1A0 2    99 099 2      C-13-H3C(O)CH3
  963372.9569  0.0397 -5.9827 3 1600.2598G08  595161404A0 0A0 0    99 199 0      C-13-H3C(O)CH3
  963372.9569  0.0397 -4.9241 3 1600.2598G08  595161404A0 1A0 0    99 199 0      C-13-H3C(O)CH3
  963372.9569  0.0397 -5.9827 3 1600.2598G08  595161404A0 1A0 0    99 099 0      C-13-H3C(O)CH3
  963372.9569  0.0397 -4.9241 3 1600.2598G08  595161404A0 0A0 0    99 099 0      C-13-H3C(O)CH3
  963390.1745  0.0088 -4.1295 3  423.7370680  595161404421725 2    411626 2      C-13-H3C(O)CH3
  963390.1761  0.0088 -4.1295 3  423.7370680  595161404421825 2    411526 2      C-13-H3C(O)CH3
  963397.7233  0.0083 -4.1294 3  423.7386680  595161404421725 1    411626 1      C-13-H3C(O)CH3
  963397.7249  0.0083 -4.1294 3  423.7386680  595161404421825 1    411526 1      C-13-H3C(O)CH3
  963433.8766  0.0098 -4.4302 3  423.7093340  595161404421725 4    411626 4      C-13-H3C(O)CH3
  963433.8784  0.0098 -4.4302 3  423.7093340  595161404421825 4    411526 4      C-13-H3C(O)CH3
  963434.0126  0.0098 -4.4302 3  423.7094340  595161404421725 3    411626 3      C-13-H3C(O)CH3
  963434.0145  0.0098 -4.4302 3  423.7094340  595161404421825 3    411526 3      C-13-H3C(O)CH3
  963551.3397  0.0461 -4.6216 3  567.0700372  595161404462918 4    452619 4      C-13-H3C(O)CH3
  963576.3653  0.1328 -4.9645 3 1443.5232C72  595161404792455 0    782554 0      C-13-H3C(O)CH3
  963576.3653  0.1328 -5.5457 3 1443.5232C72  595161404792455 0    782454 0      C-13-H3C(O)CH3
  963576.3653  0.1328 -4.8923 3 1443.5232C72  595161404792555 0    782454 0      C-13-H3C(O)CH3
  963576.5180  0.1371 -5.0016 3 1443.5436C72  595161404792455 1    782554 1      C-13-H3C(O)CH3
  963576.5180  0.1371 -5.4278 3 1443.5436C72  595161404792555 1    782554 1      C-13-H3C(O)CH3
  963576.5180  0.1371 -5.4278 3 1443.5436C72  595161404792455 1    782454 1      C-13-H3C(O)CH3
  963576.5180  0.1371 -5.0016 3 1443.5436C72  595161404792555 1    782454 1      C-13-H3C(O)CH3
  963580.4292  0.1378 -4.8793 3 1443.5456C72  595161404792455 2    782554 2      C-13-H3C(O)CH3
  963580.4292  0.1378 -4.8793 3 1443.5456C72  595161404792555 2    782454 2      C-13-H3C(O)CH3
  963580.5950  0.1080 -5.1654 3 1443.5661636  595161404792455 3    782554 3      C-13-H3C(O)CH3
  963580.5950  0.1080 -5.1654 3 1443.5661636  595161404792555 3    782454 3      C-13-H3C(O)CH3
  963580.6002  0.1080 -5.1746 3 1443.5661636  595161404792455 4    782454 4      C-13-H3C(O)CH3
  963580.6002  0.1080 -5.1746 3 1443.5661636  595161404792555 4    782554 4      C-13-H3C(O)CH3
  963666.3959  0.0510 -4.6189 3  567.0698372  595161404462918 3    452619 3      C-13-H3C(O)CH3
  963686.0781  0.0176 -5.2664 3  270.6468308  59516140438 732 4    37 533 4      C-13-H3C(O)CH3
  963686.0781  0.0176 -5.3901 3  270.6468308  59516140438 732 4    37 433 4      C-13-H3C(O)CH3
  963686.0781  0.0176 -5.2664 3  270.6468308  59516140438 632 4    37 433 4      C-13-H3C(O)CH3
  963686.0781  0.0176 -5.3901 3  270.6468308  59516140438 632 4    37 533 4      C-13-H3C(O)CH3
  963686.5387  0.0161 -5.3373 3  270.6468308  59516140438 732 3    37 533 3      C-13-H3C(O)CH3
  963686.5387  0.0161 -5.3108 3  270.6468308  59516140438 732 3    37 433 3      C-13-H3C(O)CH3
  963686.5387  0.0161 -5.3373 3  270.6468308  59516140438 632 3    37 433 3      C-13-H3C(O)CH3
  963686.5387  0.0161 -5.3108 3  270.6468308  59516140438 632 3    37 533 3      C-13-H3C(O)CH3
  963704.4870  0.1192 -5.0281 3 1542.6927E00  595161404871672 0    861571 0      C-13-H3C(O)CH3
  963704.4870  0.1192 -5.6290 3 1542.6927E00  595161404871672 0    861671 0      C-13-H3C(O)CH3
  963704.4870  0.1192 -5.6290 3 1542.6927E00  595161404871572 0    861571 0      C-13-H3C(O)CH3
  963704.4870  0.1192 -5.0281 3 1542.6927E00  595161404871572 0    861671 0      C-13-H3C(O)CH3
  963730.6362  0.1187 -4.9402 3 1542.7085E00  595161404871672 1    861671 1      C-13-H3C(O)CH3
  963730.6362  0.1187 -4.9402 3 1542.7085E00  595161404871572 1    861571 1      C-13-H3C(O)CH3
  963732.3211  0.1231 -5.0167 3 1542.7088E00  595161404871672 2    861571 2      C-13-H3C(O)CH3
  963732.3211  0.1231 -5.6778 3 1542.7088E00  595161404871672 2    861671 2      C-13-H3C(O)CH3
  963732.3211  0.1231 -5.0167 3 1542.7088E00  595161404871572 2    861671 2      C-13-H3C(O)CH3
  963732.3211  0.1231 -5.6778 3 1542.7088E00  595161404871572 2    861571 2      C-13-H3C(O)CH3
  963748.1090  0.0092 -3.5483 3  761.3010808 -5951614045044 6 0    4943 7 0      C-13-H3C(O)CH3
  963748.1090  0.0092 -3.5483 3  761.3010808 -5951614045044 7 0    4943 6 0      C-13-H3C(O)CH3
  963755.1561  0.0112 -3.5484 3  761.3188808 -5951614045044 6 2    4943 6 2      C-13-H3C(O)CH3
  963758.5011  0.1018 -5.4493 3 1542.7245700  595161404871672 3    861571 3      C-13-H3C(O)CH3
  963758.5011  0.1018 -5.6369 3 1542.7245700  595161404871672 3    861671 3      C-13-H3C(O)CH3
  963758.5011  0.1018 -5.6369 3 1542.7245700  595161404871572 3    861571 3      C-13-H3C(O)CH3
  963758.5011  0.1018 -5.4493 3 1542.7245700  595161404871572 3    861671 3      C-13-H3C(O)CH3
  963758.5381  0.1018 -5.2837 3 1542.7245700  595161404871672 4    861671 4      C-13-H3C(O)CH3
  963758.5381  0.1018 -5.2837 3 1542.7245700  595161404871572 4    861571 4      C-13-H3C(O)CH3
  963776.7997  0.0101 -3.5483 3  761.3363808 -5951614045044 6 1    4943 6 1      C-13-H3C(O)CH3
  963777.3461  1.0357 -5.5118 3 1253.8543548  595161404684028 3    674127 3      C-13-H3C(O)CH3
  963783.6866  0.0155 -3.8494 3  761.3540404  5951614045044 6 4    4943 6 4      C-13-H3C(O)CH3
  963790.9791  1.0049 -5.5120 3 1253.8539548  595161404684028 4    674127 4      C-13-H3C(O)CH3
  963803.7993  0.0889 -4.9651 3 1590.5153F12  59516140494 887 0    93 886 0      C-13-H3C(O)CH3
  963803.7993  0.0889 -4.9651 3 1590.5153F12  59516140494 787 0    93 786 0      C-13-H3C(O)CH3
  963826.2401  0.1125 -4.9365 3 1590.4929F12  59516140494 887 2    93 786 2      C-13-H3C(O)CH3
  963826.2401  0.1125 -4.9365 3 1590.4929F12  59516140494 787 2    93 886 2      C-13-H3C(O)CH3
  963826.3664  0.1194 -4.9402 3 1590.4930F12  59516140494 787 1    93 786 1      C-13-H3C(O)CH3
  963826.3664  0.1194 -4.9402 3 1590.4930F12  59516140494 887 1    93 886 1      C-13-H3C(O)CH3
  963829.9088  0.0108 -3.5484 3  761.3040808 -5951614045044 7 2    4943 7 2      C-13-H3C(O)CH3
  963848.8128  0.0776 -5.2443 3 1590.4707756  59516140494 887 3    93 786 3      C-13-H3C(O)CH3
  963848.8128  0.0776 -5.2443 3 1590.4707756  59516140494 787 3    93 886 3      C-13-H3C(O)CH3
  963848.8311  0.0777 -5.6590 3 1590.4706756  59516140494 787 4    93 786 4      C-13-H3C(O)CH3
  963848.8311  0.0777 -5.4433 3 1590.4706756  59516140494 887 4    93 786 4      C-13-H3C(O)CH3
  963848.8311  0.0777 -5.4433 3 1590.4706756  59516140494 787 4    93 886 4      C-13-H3C(O)CH3
  963848.8311  0.0777 -5.6590 3 1590.4706756  59516140494 887 4    93 886 4      C-13-H3C(O)CH3
  963858.0334  0.0152 -3.8494 3  761.3393404  5951614045044 6 3    4943 6 3      C-13-H3C(O)CH3
  963875.6517  0.1340 -4.6656 3  801.6438872  595161404543619 2    533518 2      C-13-H3C(O)CH3
  963894.0117  0.0103 -3.5482 3  761.3053808 -5951614045044 7 1    4943 7 1      C-13-H3C(O)CH3
  963900.4362  0.0156 -3.8493 3  761.3231404  5951614045044 7 3    4943 7 3      C-13-H3C(O)CH3
  963902.2849  0.3438 -4.6318 3 1037.8820A00  595161404623726 0    613625 0      C-13-H3C(O)CH3
  963975.3614  0.0161 -3.8493 3  761.3083404  5951614045044 7 4    4943 7 4      C-13-H3C(O)CH3
  964084.9717  0.0952 -4.5153 3  801.6341872  595161404543619 1    533518 1      C-13-H3C(O)CH3
  964200.6137  0.0134 -5.7325 3  270.6360616  59516140438 632 2    37 433 2      C-13-H3C(O)CH3
  964200.6137  0.0134 -4.7656 3  270.6360616  59516140438 732 2    37 433 2      C-13-H3C(O)CH3
  964200.6137  0.0134 -5.7325 3  270.6360616  59516140438 732 2    37 533 2      C-13-H3C(O)CH3
  964200.6137  0.0134 -4.7656 3  270.6360616  59516140438 632 2    37 533 2      C-13-H3C(O)CH3
  964204.0454  0.0147 -5.2851 3  270.6365616  59516140438 632 1    37 433 1      C-13-H3C(O)CH3
  964204.0454  0.0147 -4.8596 3  270.6365616  59516140438 732 1    37 433 1      C-13-H3C(O)CH3
  964204.0454  0.0147 -5.2851 3  270.6365616  59516140438 732 1    37 533 1      C-13-H3C(O)CH3
  964204.0454  0.0147 -4.8596 3  270.6365616  59516140438 632 1    37 533 1      C-13-H3C(O)CH3
  964257.0199  0.0297 -5.6746 3  228.9868300  59516140437 334 3    36 235 3      C-13-H3C(O)CH3
  964257.0199  0.0297 -5.6746 3  228.9868300  59516140437 434 3    36 135 3      C-13-H3C(O)CH3
  964257.5109  0.0316 -5.6410 3  228.9868300  59516140437 334 4    36 235 4      C-13-H3C(O)CH3
  964257.5109  0.0316 -5.6410 3  228.9868300  59516140437 434 4    36 135 4      C-13-H3C(O)CH3
  964393.7945  0.0227 -5.7367 3  332.3221276  5951614043429 6 4    3326 7 4      C-13-H3C(O)CH3
  964441.1251  0.8640 -5.2088 3 1253.8361A96  595161404684028 1    674127 1      C-13-H3C(O)CH3
  964509.2518  0.0169 -3.9364 3  801.6026872 -595161404543619 0    533518 0      C-13-H3C(O)CH3
  964549.2709  0.1365 -4.8787 3 1460.3006C88  595161404802357 0    792356 0      C-13-H3C(O)CH3
  964549.2709  0.1365 -4.8787 3 1460.3006C88  595161404802457 0    792456 0      C-13-H3C(O)CH3
  964551.2207  0.1416 -5.8871 3 1460.3213C88  595161404802457 1    792356 1      C-13-H3C(O)CH3
  964551.2207  0.1416 -4.9235 3 1460.3213C88  595161404802457 1    792456 1      C-13-H3C(O)CH3
  964551.2207  0.1416 -4.9235 3 1460.3213C88  595161404802357 1    792356 1      C-13-H3C(O)CH3
  964551.2207  0.1416 -5.8871 3 1460.3213C88  595161404802357 1    792456 1      C-13-H3C(O)CH3
  964555.1708  0.1425 -4.8839 3 1460.3232C88  595161404802457 2    792456 2      C-13-H3C(O)CH3
  964555.1708  0.1425 -4.8839 3 1460.3232C88  595161404802357 2    792356 2      C-13-H3C(O)CH3
  964557.1355  0.1099 -5.1919 3 1460.3439644  595161404802457 3    792456 3      C-13-H3C(O)CH3
  964557.1355  0.1099 -5.1919 3 1460.3439644  595161404802357 3    792356 3      C-13-H3C(O)CH3
  964557.1440  0.1099 -5.6851 3 1460.3439644  595161404802457 4    792456 4      C-13-H3C(O)CH3
  964557.1440  0.1099 -5.3424 3 1460.3439644  595161404802457 4    792356 4      C-13-H3C(O)CH3
  964557.1440  0.1099 -5.6851 3 1460.3439644  595161404802357 4    792356 4      C-13-H3C(O)CH3
  964557.1440  0.1099 -5.3424 3 1460.3439644  595161404802357 4    792456 4      C-13-H3C(O)CH3
  964560.4194  0.0216 -5.7349 3  332.3220276  5951614043429 6 3    3326 7 3      C-13-H3C(O)CH3
  964625.3646  0.7338 -5.3504 3 1214.7843540  595161404673928 3    664027 3      C-13-H3C(O)CH3
  964636.4972  0.7122 -5.3505 3 1214.7840540  595161404673928 4    664027 4      C-13-H3C(O)CH3
  964679.3570  0.4194 -4.6313 3 1037.8680A00  595161404623726 2    613625 2      C-13-H3C(O)CH3
  964716.1418  0.0193 -5.4366 3  332.3475552  5951614043429 6 1    3326 7 1      C-13-H3C(O)CH3
  964717.1244  0.0127 -5.6684 3  270.6258616  59516140438 732 0    37 433 0      C-13-H3C(O)CH3
  964717.1244  0.0127 -4.7724 3  270.6258616  59516140438 732 0    37 533 0      C-13-H3C(O)CH3
  964717.1244  0.0127 -5.6684 3  270.6258616  59516140438 632 0    37 533 0      C-13-H3C(O)CH3
  964717.1244  0.0127 -4.7724 3  270.6258616  59516140438 632 0    37 433 0      C-13-H3C(O)CH3
  964752.6737  0.0355 -5.9034 3  823.2267888  595161404553520 1    543420 1      C-13-H3C(O)CH3
  964783.8561  0.0735 -4.3173 3  801.6549436  595161404543619 3    533518 3      C-13-H3C(O)CH3
  964784.3704  0.3028 -4.6312 3 1037.8634A00  595161404623726 1    613625 1      C-13-H3C(O)CH3
  964805.5824  0.0436 -5.7494 3  823.2268888  595161404553520 2    543420 2      C-13-H3C(O)CH3
  964811.5292  0.0184 -5.4390 3  332.3631552  5951614043429 6 2    3326 7 2      C-13-H3C(O)CH3
  964852.3337  0.1128 -5.5976 3 1554.5469E16  595161404881574 0    871473 0      C-13-H3C(O)CH3
  964852.3337  0.1128 -5.0492 3 1554.5469E16  595161404881474 0    871473 0      C-13-H3C(O)CH3
  964852.3337  0.1128 -5.5976 3 1554.5469E16  595161404881474 0    871573 0      C-13-H3C(O)CH3
  964852.3337  0.1128 -5.0492 3 1554.5469E16  595161404881574 0    871573 0      C-13-H3C(O)CH3
  964881.3281  0.1106 -5.7139 3 1554.5604E16  595161404881474 1    871473 1      C-13-H3C(O)CH3
  964881.3281  0.1106 -4.9524 3 1554.5604E16  595161404881574 1    871573 1      C-13-H3C(O)CH3
  964881.3281  0.1106 -5.0212 3 1554.5604E16  595161404881474 1    871573 1      C-13-H3C(O)CH3
  964882.5806  0.1145 -5.1199 3 1554.5605E16  595161404881574 2    871573 2      C-13-H3C(O)CH3
  964882.5806  0.1145 -5.4126 3 1554.5605E16  595161404881474 2    871573 2      C-13-H3C(O)CH3
  964882.5806  0.1145 -5.1199 3 1554.5605E16  595161404881474 2    871473 2      C-13-H3C(O)CH3
  964882.5806  0.1145 -5.4126 3 1554.5605E16  595161404881574 2    871473 2      C-13-H3C(O)CH3
  964909.4724  1.1695 -5.2074 3 1253.8350A96  595161404684028 2    674127 2      C-13-H3C(O)CH3
  964911.6062  0.0998 -5.3161 3 1554.5740708  595161404881474 3    871573 3      C-13-H3C(O)CH3
  964911.6062  0.0998 -5.3161 3 1554.5740708  595161404881574 3    871473 3      C-13-H3C(O)CH3
  964911.6459  0.0999 -5.8837 3 1554.5740708  595161404881474 4    871573 4      C-13-H3C(O)CH3
  964911.6459  0.0999 -5.3545 3 1554.5740708  595161404881474 4    871473 4      C-13-H3C(O)CH3
  964911.6459  0.0999 -5.8837 3 1554.5740708  595161404881574 4    871473 4      C-13-H3C(O)CH3
  964911.6459  0.0999 -5.3545 3 1554.5740708  595161404881574 4    871573 4      C-13-H3C(O)CH3
  964912.5511  0.0128 -5.7664 3  272.2952536  595161404331815 2    321518 2      C-13-H3C(O)CH3
  964962.3052  0.0220 -5.7376 3  332.3220276  5951614043429 5 3    3326 8 3      C-13-H3C(O)CH3
  964976.1385  0.0194 -5.4360 3  332.3630552  5951614043429 5 2    3326 8 2      C-13-H3C(O)CH3
  965043.9943  0.0250 -4.8588 3  454.4680664  595161404412814 1    402515 1      C-13-H3C(O)CH3
  965055.3290  0.0112 -5.7665 3  272.3179536  595161404331815 0    321518 0      C-13-H3C(O)CH3
  965066.4492  0.0869 -5.0675 3 1598.0933F28  59516140495 789 0    94 688 0      C-13-H3C(O)CH3
  965066.4492  0.0869 -5.5323 3 1598.0933F28  59516140495 789 0    94 788 0      C-13-H3C(O)CH3
  965066.4492  0.0869 -5.5323 3 1598.0933F28  59516140495 689 0    94 688 0      C-13-H3C(O)CH3
  965066.4492  0.0869 -5.0675 3 1598.0933F28  59516140495 689 0    94 788 0      C-13-H3C(O)CH3
  965081.2409  0.1128 -5.1676 3 1598.0648F28  59516140495 789 2    94 788 2      C-13-H3C(O)CH3
  965081.2409  0.1128 -5.3281 3 1598.0648F28  59516140495 789 2    94 688 2      C-13-H3C(O)CH3
  965081.2409  0.1128 -5.3281 3 1598.0648F28  59516140495 689 2    94 788 2      C-13-H3C(O)CH3
  965081.2409  0.1128 -5.1676 3 1598.0648F28  59516140495 689 2    94 688 2      C-13-H3C(O)CH3
  965081.2512  0.1181 -5.1505 3 1598.0649F28  59516140495 689 1    94 788 1      C-13-H3C(O)CH3
  965081.2512  0.1181 -5.3540 3 1598.0649F28  59516140495 689 1    94 688 1      C-13-H3C(O)CH3
  965081.2512  0.1181 -5.3540 3 1598.0649F28  59516140495 789 1    94 788 1      C-13-H3C(O)CH3
  965081.2512  0.1181 -5.1505 3 1598.0649F28  59516140495 789 1    94 688 1      C-13-H3C(O)CH3
  965086.6552  0.0235 -4.7213 3  454.4864664  595161404412814 0    402515 0      C-13-H3C(O)CH3
  965092.8686  0.0129 -5.7653 3  272.2983536  595161404331815 1    321518 1      C-13-H3C(O)CH3
  965096.0478  0.0727 -5.6409 3 1598.0364764  59516140495 789 3    94 688 3      C-13-H3C(O)CH3
  965096.0478  0.0727 -5.6409 3 1598.0364764  59516140495 689 3    94 788 3      C-13-H3C(O)CH3
  965096.0478  0.0727 -5.4605 3 1598.0364764  59516140495 689 3    94 688 3      C-13-H3C(O)CH3
  965096.0478  0.0727 -5.4605 3 1598.0364764  59516140495 789 3    94 788 3      C-13-H3C(O)CH3
  965096.0487  0.0727 -5.2493 3 1598.0364764  59516140495 689 4    94 688 4      C-13-H3C(O)CH3
  965096.0487  0.0727 -5.2493 3 1598.0364764  59516140495 789 4    94 788 4      C-13-H3C(O)CH3
  965124.9929  0.0357 -5.3527 3  228.9365600  59516140437 334 2    36 135 2      C-13-H3C(O)CH3
  965124.9929  0.0357 -5.3527 3  228.9365600  59516140437 434 2    36 235 2      C-13-H3C(O)CH3
  965125.8018  0.0249 -5.7335 3  332.3219276  5951614043429 5 4    3326 8 4      C-13-H3C(O)CH3
  965126.4821  0.0378 -5.3324 3  228.9369600  59516140437 434 1    36 135 1      C-13-H3C(O)CH3
  965126.4821  0.0378 -5.3324 3  228.9369600  59516140437 334 1    36 235 1      C-13-H3C(O)CH3
  965131.8395  0.0524 -5.5332 3  823.2363444  595161404553520 4    543420 4      C-13-H3C(O)CH3
  965136.8624  0.0191 -5.4398 3  332.3883552  5951614043429 6 0    3326 7 0      C-13-H3C(O)CH3
  965137.0360  0.0191 -5.4398 3  332.3883552  5951614043429 5 0    3326 8 0      C-13-H3C(O)CH3
  965137.0676  0.0197 -4.0688 3  801.6341872 -595161404543618 1    533518 1      C-13-H3C(O)CH3
  965148.5596  0.0206 -4.0254 3  801.6438872 -595161404543618 2    533518 2      C-13-H3C(O)CH3
  965151.5120  0.6225 -5.0474 3 1214.7680A80  595161404673928 1    664027 1      C-13-H3C(O)CH3
  965227.1044  0.0374 -5.2708 3  454.4403332  595161404412814 4    402515 4      C-13-H3C(O)CH3
  965250.6859  0.0274 -5.0056 3  801.6549436  595161404543618 3    533518 3      C-13-H3C(O)CH3
  965275.7490  0.0240 -4.2662 3  801.6832436  595161404543618 4    533518 4      C-13-H3C(O)CH3
  965282.7037  0.0198 -5.4363 3  332.3473552  5951614043429 5 1    3326 8 1      C-13-H3C(O)CH3
  965331.5589  0.0106 -3.6126 3  768.4005824 -5951614045142 9 2    5041 9 2      C-13-H3C(O)CH3
  965342.6744  0.0146 -3.9137 3  768.4280412  5951614045142 9 4    5041 9 4      C-13-H3C(O)CH3
  965367.6144  0.0074 -3.6125 3  768.3774824 -5951614045142 9 0    504110 0      C-13-H3C(O)CH3
  965367.6144  0.0074 -3.6125 3  768.3774824 -595161404514210 0    5041 9 0      C-13-H3C(O)CH3
  965379.0403  0.0087 -3.6125 3  768.4051824 -5951614045142 9 1    5041 9 1      C-13-H3C(O)CH3
  965412.4006  0.0346 -4.9228 3  454.4585664  595161404412814 2    402515 2      C-13-H3C(O)CH3
  965440.6900  0.0092 -3.6126 3  768.3967824 -595161404514210 2    504110 2      C-13-H3C(O)CH3
  965449.9581  0.0142 -3.9136 3  768.4080412  595161404514210 3    504110 3      C-13-H3C(O)CH3
  965451.5743  0.0134 -3.9136 3  768.4244412  5951614045142 9 3    5041 9 3      C-13-H3C(O)CH3
  965451.9680  0.0721 -4.4055 3  791.0273436  595161404543420 3    533321 3      C-13-H3C(O)CH3
  965477.5815  0.0178 -4.0679 3  801.5876872 -595161404543619 1    533519 1      C-13-H3C(O)CH3
  965486.4441  0.0083 -3.6124 3  768.3849824 -595161404514210 1    504110 1      C-13-H3C(O)CH3
  965488.4706  0.8356 -5.0463 3 1214.7683A80  595161404673928 2    664027 2      C-13-H3C(O)CH3
  965494.3861  0.0167 -4.0244 3  801.5898872 -595161404543619 2    533519 2      C-13-H3C(O)CH3
  965552.3158  0.1395 -4.9720 3 1476.5245D04  595161404812359 0    802258 0      C-13-H3C(O)CH3
  965552.3158  0.1395 -5.6755 3 1476.5245D04  595161404812359 0    802358 0      C-13-H3C(O)CH3
  965552.3158  0.1395 -4.9720 3 1476.5245D04  595161404812259 0    802358 0      C-13-H3C(O)CH3
  965552.3158  0.1395 -5.6755 3 1476.5245D04  595161404812259 0    802258 0      C-13-H3C(O)CH3
  965556.3648  0.1452 -4.9035 3 1476.5453D04  595161404812259 1    802358 1      C-13-H3C(O)CH3
  965556.3648  0.1452 -4.9035 3 1476.5453D04  595161404812359 1    802258 1      C-13-H3C(O)CH3
  965557.9094  0.3473 -4.9318 3 1037.8495500  595161404623726 4    613625 4      C-13-H3C(O)CH3
  965559.4546  0.0130 -3.9136 3  768.4042412  595161404514210 4    504110 4      C-13-H3C(O)CH3
  965560.2862  0.1464 -5.3784 3 1476.5471D04  595161404812359 2    802258 2      C-13-H3C(O)CH3
  965560.2862  0.1464 -5.0660 3 1476.5471D04  595161404812359 2    802358 2      C-13-H3C(O)CH3
  965560.2862  0.1464 -5.3784 3 1476.5471D04  595161404812259 2    802358 2      C-13-H3C(O)CH3
  965560.2862  0.1464 -5.0660 3 1476.5471D04  595161404812259 2    802258 2      C-13-H3C(O)CH3
  965561.8181  0.9260 -5.2053 3 1253.8171A96  595161404684028 0    674127 0      C-13-H3C(O)CH3
  965564.3520  0.1113 -5.4942 3 1476.5680652  595161404812259 3    802258 3      C-13-H3C(O)CH3
  965564.3520  0.1113 -5.4972 3 1476.5680652  595161404812259 3    802358 3      C-13-H3C(O)CH3
  965564.3520  0.1113 -5.4972 3 1476.5680652  595161404812359 3    802258 3      C-13-H3C(O)CH3
  965564.3520  0.1113 -5.4942 3 1476.5680652  595161404812359 3    802358 3      C-13-H3C(O)CH3
  965564.3639  0.1114 -5.2115 3 1476.5680652  595161404812259 4    802258 4      C-13-H3C(O)CH3
  965564.3639  0.1114 -5.2115 3 1476.5680652  595161404812359 4    802358 4      C-13-H3C(O)CH3
  965573.2003  0.3589 -4.9317 3 1037.8492500  595161404623726 3    613625 3      C-13-H3C(O)CH3
  965583.7997  0.0604 -4.1098 3  791.0184872  595161404543420 2    533321 2      C-13-H3C(O)CH3
  965588.9335  0.0511 -4.1092 3  791.0181872  595161404543420 1    533321 1      C-13-H3C(O)CH3
  965609.6806  0.0516 -4.1089 3  791.0107872  595161404543420 0    533321 0      C-13-H3C(O)CH3
  965659.5354  0.0190 -4.2647 3  801.5967436  595161404543619 4    533519 4      C-13-H3C(O)CH3
  965684.2974  0.0245 -5.0049 3  801.6249436  595161404543619 3    533519 3      C-13-H3C(O)CH3
  965687.3611  0.0560 -4.4170 3  791.0244436  595161404543420 4    533321 4      C-13-H3C(O)CH3
  965812.7081  0.0167 -3.9354 3  801.5731872  595161404543618 0    533519 0      C-13-H3C(O)CH3
  965838.3026  0.0304 -5.2848 3  454.4680664  595161404412813 1    402515 1      C-13-H3C(O)CH3
  965895.1626  0.0430 -5.1172 3  454.4398332  595161404412814 3    402515 3      C-13-H3C(O)CH3
  965909.0877  0.0225 -5.5552 3  378.1754600  595161404372810 1    362511 1      C-13-H3C(O)CH3
  965992.4770  0.0340 -5.6273 3  228.8868600  59516140437 434 0    36 135 0      C-13-H3C(O)CH3
  965992.4770  0.0340 -5.6151 3  228.8868600  59516140437 434 0    36 235 0      C-13-H3C(O)CH3
  965992.4770  0.0340 -5.6151 3  228.8868600  59516140437 334 0    36 135 0      C-13-H3C(O)CH3
  965992.4770  0.0340 -5.6273 3  228.8868600  59516140437 334 0    36 235 0      C-13-H3C(O)CH3
  966002.2591  0.6666 -5.0443 3 1214.7523A80  595161404673928 0    664027 0      C-13-H3C(O)CH3
  966014.3194  0.1060 -4.9543 3 1565.8676E32  595161404891476 0    881475 0      C-13-H3C(O)CH3
  966014.3194  0.1060 -4.9543 3 1565.8676E32  595161404891376 0    881375 0      C-13-H3C(O)CH3
  966045.7707  0.1031 -5.0842 3 1565.8783E32  595161404891476 1    881375 1      C-13-H3C(O)CH3
  966045.7707  0.1031 -5.5263 3 1565.8783E32  595161404891476 1    881475 1      C-13-H3C(O)CH3
  966045.7707  0.1031 -5.1531 3 1565.8783E32  595161404891376 1    881475 1      C-13-H3C(O)CH3
  966045.7707  0.1031 -5.3784 3 1565.8783E32  595161404891376 1    881375 1      C-13-H3C(O)CH3
  966046.6070  0.1056 -4.9847 3 1565.8783E32  595161404891476 2    881375 2      C-13-H3C(O)CH3
  966046.6070  0.1056 -4.9847 3 1565.8783E32  595161404891376 2    881475 2      C-13-H3C(O)CH3
  966078.0890  0.0977 -5.2536 3 1565.8889716  595161404891476 3    881375 3      C-13-H3C(O)CH3
  966078.0890  0.0977 -5.2536 3 1565.8889716  595161404891376 3    881475 3      C-13-H3C(O)CH3
  966078.1309  0.0977 -5.2961 3 1565.8889716  595161404891476 4    881475 4      C-13-H3C(O)CH3
  966078.1309  0.0977 -5.2961 3 1565.8889716  595161404891376 4    881375 4      C-13-H3C(O)CH3
  966126.2456  0.0205 -5.3254 3  378.1640300  5951614043728 9 3    362511 3      C-13-H3C(O)CH3
  966151.1271  0.0772 -4.3163 3  801.6249436  595161404543618 3    533519 3      C-13-H3C(O)CH3
  966235.9971  0.0186 -5.1296 3  378.1645600  595161404372810 1    362512 1      C-13-H3C(O)CH3
  966244.0524  0.0170 -4.9931 3  378.1994600  595161404372810 0    362511 0      C-13-H3C(O)CH3
  966302.5338  0.0220 -5.3071 3  378.1412300  595161404372810 4    362512 4      C-13-H3C(O)CH3
  966323.3518  0.0183 -5.1290 3  378.1754600  5951614043728 9 1    362511 1      C-13-H3C(O)CH3
  966345.0732  0.0794 -4.9737 3 1605.1440F44  59516140496 691 0    95 590 0      C-13-H3C(O)CH3
  966345.0732  0.0794 -4.9737 3 1605.1440F44  59516140496 591 0    95 690 0      C-13-H3C(O)CH3
  966350.2839  0.1069 -4.9914 3 1605.1109F44  59516140496 691 1    95 590 1      C-13-H3C(O)CH3
  966350.2839  0.1069 -5.9108 3 1605.1109F44  59516140496 691 1    95 690 1      C-13-H3C(O)CH3
  966350.2839  0.1069 -4.9914 3 1605.1109F44  59516140496 591 1    95 690 1      C-13-H3C(O)CH3
  966350.2839  0.1069 -5.9108 3 1605.1109F44  59516140496 591 1    95 590 1      C-13-H3C(O)CH3
  966350.3747  0.1037 -4.9534 3 1605.1108F44  59516140496 691 2    95 590 2      C-13-H3C(O)CH3
  966350.3747  0.1037 -4.9534 3 1605.1108F44  59516140496 591 2    95 690 2      C-13-H3C(O)CH3
  966355.5741  0.0651 -5.3244 3 1605.0776772  59516140496 691 4    95 590 4      C-13-H3C(O)CH3
  966355.5741  0.0651 -5.3244 3 1605.0776772  59516140496 591 4    95 690 4      C-13-H3C(O)CH3
  966355.5934  0.0650 -5.4875 3 1605.0776772  59516140496 591 3    95 690 3      C-13-H3C(O)CH3
  966355.5934  0.0650 -5.6091 3 1605.0776772  59516140496 591 3    95 590 3      C-13-H3C(O)CH3
  966355.5934  0.0650 -5.4875 3 1605.0776772  59516140496 691 3    95 590 3      C-13-H3C(O)CH3
  966355.5934  0.0650 -5.6091 3 1605.0776772  59516140496 691 3    95 690 3      C-13-H3C(O)CH3
  966375.3546  0.0177 -5.0121 3  378.1911600  5951614043728 9 2    362511 2      C-13-H3C(O)CH3
  966411.0746  0.0196 -5.3042 3  378.1684300  5951614043728 9 4    362511 4      C-13-H3C(O)CH3
  966488.5367  0.0487 -5.7292 3  454.4398332  595161404412813 3    402515 3      C-13-H3C(O)CH3
  966493.7022  0.0103 -3.6909 3  777.3035840 -595161404524012 2    513912 2      C-13-H3C(O)CH3
  966493.8861  0.0138 -3.9921 3  777.3334420  595161404524012 4    513912 4      C-13-H3C(O)CH3
  966529.5627  0.1008 -4.5136 3  801.5876872  595161404543618 1    533519 1      C-13-H3C(O)CH3
  966533.2854  0.0169 -4.9929 3  378.1898600  5951614043728 9 0    362512 0      C-13-H3C(O)CH3
  966542.0333  0.0085 -3.6907 3  777.2961840 -595161404524012 1    513912 1      C-13-H3C(O)CH3
  966542.0333  0.0069 -3.6906 3  777.2661840 -595161404524012 0    513913 0      C-13-H3C(O)CH3
  966542.0333  0.0069 -3.6906 3  777.2661840 -595161404524013 0    513912 0      C-13-H3C(O)CH3
  966552.0478  0.0184 -5.0143 3  378.1684600  595161404372810 2    362512 2      C-13-H3C(O)CH3
  966581.2342  0.1417 -4.9388 3 1492.1982D20  595161404822161 0    812260 0      C-13-H3C(O)CH3
  966581.2342  0.1417 -4.9388 3 1492.1982D20  595161404822261 0    812160 0      C-13-H3C(O)CH3
  966587.2356  0.0202 -5.3270 3  378.1457300  595161404372810 3    362512 3      C-13-H3C(O)CH3
  966587.6707  0.1477 -4.9373 3 1492.2192D20  595161404822161 1    812160 1      C-13-H3C(O)CH3
  966587.6707  0.1477 -4.9373 3 1492.2192D20  595161404822261 1    812260 1      C-13-H3C(O)CH3
  966591.4923  0.1494 -4.9082 3 1492.2207D20  595161404822161 2    812260 2      C-13-H3C(O)CH3
  966591.4923  0.1494 -4.9082 3 1492.2207D20  595161404822261 2    812160 2      C-13-H3C(O)CH3
  966597.9476  0.1124 -5.4214 3 1492.2417660  595161404822261 3    812260 3      C-13-H3C(O)CH3
  966597.9476  0.1124 -5.6221 3 1492.2417660  595161404822161 3    812260 3      C-13-H3C(O)CH3
  966597.9476  0.1124 -5.6221 3 1492.2417660  595161404822261 3    812160 3      C-13-H3C(O)CH3
  966597.9476  0.1124 -5.4214 3 1492.2417660  595161404822161 3    812160 3      C-13-H3C(O)CH3
  966597.9629  0.1124 -5.2662 3 1492.2417660  595161404822161 4    812260 4      C-13-H3C(O)CH3
  966597.9629  0.1124 -5.2662 3 1492.2417660  595161404822261 4    812160 4      C-13-H3C(O)CH3
  966613.8456  0.0137 -3.9920 3  777.3180420  595161404524013 3    513913 3      C-13-H3C(O)CH3
  966633.1654  0.0475 -5.1537 3  454.4585664  595161404412813 2    402515 2      C-13-H3C(O)CH3
  966646.0329  0.0093 -3.6907 3  777.2961840 -595161404524013 2    513913 2      C-13-H3C(O)CH3
  966646.1316  0.0124 -3.9918 3  777.3261420  595161404524012 3    513912 3      C-13-H3C(O)CH3
  966650.2612  0.0240 -5.5543 3  378.1645600  5951614043728 9 1    362512 1      C-13-H3C(O)CH3
  966661.9035  0.0088 -3.6906 3  777.2806840 -595161404524013 1    513913 1      C-13-H3C(O)CH3
  966766.3228  0.0132 -3.9917 3  777.3105420  595161404524013 4    513913 4      C-13-H3C(O)CH3
  966767.1998  0.1429 -4.6636 3  801.5898872  595161404543618 2    533519 2      C-13-H3C(O)CH3
  966848.6022  0.0109 -3.7911 3  788.2472856 -595161404533815 2    523715 2      C-13-H3C(O)CH3
  966862.4919  0.0099 -3.7908 3  788.1960856  595161404533816 0    523715 0      C-13-H3C(O)CH3
  966866.0016  0.0143 -4.0924 3  788.2852428  595161404533815 4    523715 4      C-13-H3C(O)CH3
  966866.7660  0.0099 -3.7908 3  788.1959856  595161404533815 0    523716 0      C-13-H3C(O)CH3
  966867.6486  0.0451 -4.4571 3  544.2933728  595161404452917 0    442618 0      C-13-H3C(O)CH3
  966882.0121  0.0110 -3.7910 3  788.2339856 -595161404533815 1    523715 1      C-13-H3C(O)CH3
  967000.3370  0.0152 -4.0927 3  788.2638428  595161404533815 3    523715 3      C-13-H3C(O)CH3
  967015.9922  0.0105 -3.7907 3  788.2126856 -595161404533816 1    523716 1      C-13-H3C(O)CH3
  967028.4702  0.0109 -3.7906 3  788.2232856 -595161404533816 2    523716 2      C-13-H3C(O)CH3
  967045.9865  0.0150 -4.0925 3  788.2613428  595161404533816 3    523716 3      C-13-H3C(O)CH3
  967123.5966  0.0545 -5.3828 3  454.4403332  595161404412813 4    402515 4      C-13-H3C(O)CH3
  967180.2998  0.0166 -4.0915 3  788.2399428  595161404533816 4    523716 4      C-13-H3C(O)CH3
  967190.3733  0.0997 -5.2240 3 1576.6565E48  595161404901278 0    891277 0      C-13-H3C(O)CH3
  967190.3733  0.0997 -5.2240 3 1576.6565E48  595161404901378 0    891377 0      C-13-H3C(O)CH3
  967190.3733  0.0997 -5.2988 3 1576.6565E48  595161404901378 0    891277 0      C-13-H3C(O)CH3
  967190.3733  0.0997 -5.2988 3 1576.6565E48  595161404901278 0    891377 0      C-13-H3C(O)CH3
  967223.6715  0.0980 -5.1669 3 1576.6636E48  595161404901378 1    891277 1      C-13-H3C(O)CH3
  967223.6715  0.0980 -5.3781 3 1576.6636E48  595161404901378 1    891377 1      C-13-H3C(O)CH3
  967223.6715  0.0980 -5.3781 3 1576.6636E48  595161404901278 1    891277 1      C-13-H3C(O)CH3
  967223.6715  0.0980 -5.1669 3 1576.6636E48  595161404901278 1    891377 1      C-13-H3C(O)CH3
  967224.1335  0.0981 -5.2545 3 1576.6634E48  595161404901378 2    891277 2      C-13-H3C(O)CH3
  967224.1335  0.0981 -5.2651 3 1576.6634E48  595161404901378 2    891377 2      C-13-H3C(O)CH3
  967224.1335  0.0981 -5.2545 3 1576.6634E48  595161404901278 2    891377 2      C-13-H3C(O)CH3
  967224.1335  0.0981 -5.2651 3 1576.6634E48  595161404901278 2    891277 2      C-13-H3C(O)CH3
  967257.4607  0.0955 -5.2819 3 1576.6705724  595161404901278 3    891377 3      C-13-H3C(O)CH3
  967257.4607  0.0955 -5.2819 3 1576.6705724  595161404901378 3    891277 3      C-13-H3C(O)CH3
  967257.5041  0.0955 -5.2623 3 1576.6705724  595161404901278 4    891377 4      C-13-H3C(O)CH3
  967257.5041  0.0955 -5.2623 3 1576.6705724  595161404901378 4    891277 4      C-13-H3C(O)CH3
  967320.7502  0.0901 -4.7774 3 1298.4794B44  595161404713338 1    703437 1      C-13-H3C(O)CH3
  967320.7560  0.0901 -4.7774 3 1298.4794B44  595161404713438 1    703337 1      C-13-H3C(O)CH3
  967320.8491  0.0839 -5.0785 3 1298.4983572  595161404713338 4    703437 4      C-13-H3C(O)CH3
  967320.8551  0.0839 -5.0785 3 1298.4983572  595161404713438 4    703337 4      C-13-H3C(O)CH3
  967320.8654  0.0840 -5.0785 3 1298.4982572  595161404713338 3    703437 3      C-13-H3C(O)CH3
  967320.8715  0.0840 -5.0785 3 1298.4982572  595161404713438 3    703337 3      C-13-H3C(O)CH3
  967322.0037  0.0907 -4.7774 3 1298.4631B44  595161404713338 0    703437 0      C-13-H3C(O)CH3
  967322.0082  0.0907 -4.7774 3 1298.4631B44  595161404713438 0    703337 0      C-13-H3C(O)CH3
  967322.1127  0.0925 -4.7775 3 1298.4820B44  595161404713338 2    703437 2      C-13-H3C(O)CH3
  967322.1174  0.0925 -4.7775 3 1298.4820B44  595161404713438 2    703337 2      C-13-H3C(O)CH3
  967359.7801  0.0380 -4.4614 3  544.2700728  595161404452917 1    442618 1      C-13-H3C(O)CH3
  967362.8488  0.0880 -5.0900 3 1320.6233580  595161404723240 4    713339 4      C-13-H3C(O)CH3
  967362.8489  0.0880 -5.0900 3 1320.6233580  595161404723340 4    713239 4      C-13-H3C(O)CH3
  967362.8659  0.0880 -5.0900 3 1320.6233580  595161404723240 3    713339 3      C-13-H3C(O)CH3
  967362.8660  0.0880 -5.0900 3 1320.6233580  595161404723340 3    713239 3      C-13-H3C(O)CH3
  967364.9068  0.0964 -4.7889 3 1320.6038B60  595161404723240 1    713339 1      C-13-H3C(O)CH3
  967364.9069  0.0964 -4.7889 3 1320.6038B60  595161404723340 1    713239 1      C-13-H3C(O)CH3
  967366.7553  0.0985 -4.7891 3 1320.6063B60  595161404723240 2    713339 2      C-13-H3C(O)CH3
  967366.7554  0.0985 -4.7891 3 1320.6063B60  595161404723340 2    713239 2      C-13-H3C(O)CH3
  967368.7993  0.0967 -4.7889 3 1320.5868B60  595161404723240 0    713339 0      C-13-H3C(O)CH3
  967368.7994  0.0967 -4.7889 3 1320.5868B60  595161404723340 0    713239 0      C-13-H3C(O)CH3
  967580.5144  0.0094 -4.5173 3  384.1188332  595161404411527 4    401228 4      C-13-H3C(O)CH3
  967580.5144  0.0094 -4.5102 3  384.1188332  595161404411427 4    401328 4      C-13-H3C(O)CH3
  967580.8563  0.0093 -4.5063 3  384.1189332  595161404411527 3    401228 3      C-13-H3C(O)CH3
  967580.8563  0.0093 -4.5063 3  384.1189332  595161404411427 3    401328 3      C-13-H3C(O)CH3
  967609.4961  0.0089 -4.2060 3  384.1459664  595161404411427 2    401328 2      C-13-H3C(O)CH3
  967609.4961  0.0089 -5.9768 3  384.1459664  595161404411427 2    401228 2      C-13-H3C(O)CH3
  967609.4961  0.0089 -4.2128 3  384.1459664  595161404411527 2    401228 2      C-13-H3C(O)CH3
  967615.7879  0.0089 -4.2338 3  384.1471664  595161404411427 1    401228 1      C-13-H3C(O)CH3
  967615.7879  0.0089 -5.4029 3  384.1471664  595161404411427 1    401328 1      C-13-H3C(O)CH3
  967615.7879  0.0089 -4.2338 3  384.1471664  595161404411527 1    401328 1      C-13-H3C(O)CH3
  967615.7879  0.0089 -5.4029 3  384.1471664  595161404411527 1    401228 1      C-13-H3C(O)CH3
  967628.2240  0.0544 -5.6879 3 1611.5964780  59516140497 493 4    96 592 4      C-13-H3C(O)CH3
  967628.2240  0.0544 -5.4389 3 1611.5964780  59516140497 493 4    96 492 4      C-13-H3C(O)CH3
  967628.2240  0.0544 -5.6879 3 1611.5964780  59516140497 593 4    96 492 4      C-13-H3C(O)CH3
  967628.2240  0.0544 -5.4389 3 1611.5964780  59516140497 593 4    96 592 4      C-13-H3C(O)CH3
  967628.2603  0.0543 -5.2822 3 1611.5964780  59516140497 493 3    96 492 3      C-13-H3C(O)CH3
  967628.2603  0.0543 -5.2822 3 1611.5964780  59516140497 593 3    96 592 3      C-13-H3C(O)CH3
  967632.7477  0.1428 -4.9365 3 1507.3250D36  595161404832063 0    822162 0      C-13-H3C(O)CH3
  967632.7477  0.1428 -4.9365 3 1507.3250D36  595161404832163 0    822062 0      C-13-H3C(O)CH3
  967633.5843  0.0846 -4.9493 3 1611.6314F60  59516140497 493 1    96 592 1      C-13-H3C(O)CH3
  967633.5843  0.0846 -4.9493 3 1611.6314F60  59516140497 593 1    96 492 1      C-13-H3C(O)CH3
  967633.6973  0.0840 -5.0130 3 1611.6313F60  59516140497 593 2    96 492 2      C-13-H3C(O)CH3
  967633.6973  0.0840 -5.0130 3 1611.6313F60  59516140497 493 2    96 592 2      C-13-H3C(O)CH3
  967633.6973  0.0840 -5.7759 3 1611.6313F60  59516140497 493 2    96 492 2      C-13-H3C(O)CH3
  967633.6973  0.0840 -5.7759 3 1611.6313F60  59516140497 593 2    96 592 2      C-13-H3C(O)CH3
  967639.0342  0.0652 -5.0057 3 1611.6663F60  59516140497 593 0    96 592 0      C-13-H3C(O)CH3
  967639.0342  0.0652 -5.8211 3 1611.6663F60  59516140497 593 0    96 492 0      C-13-H3C(O)CH3
  967639.0342  0.0652 -5.0057 3 1611.6663F60  59516140497 493 0    96 492 0      C-13-H3C(O)CH3
  967639.0342  0.0652 -5.8211 3 1611.6663F60  59516140497 493 0    96 592 0      C-13-H3C(O)CH3
  967641.8411  0.1489 -5.1686 3 1507.3458D36  595161404832063 1    822062 1      C-13-H3C(O)CH3
  967641.8411  0.1489 -5.1686 3 1507.3458D36  595161404832163 1    822162 1      C-13-H3C(O)CH3
  967641.8411  0.1489 -5.2856 3 1507.3458D36  595161404832163 1    822062 1      C-13-H3C(O)CH3
  967641.8411  0.1489 -5.2856 3 1507.3458D36  595161404832063 1    822162 1      C-13-H3C(O)CH3
  967644.4074  0.0073 -4.2465 3  384.1741664  595161404411527 0    401328 0      C-13-H3C(O)CH3
  967644.4074  0.0073 -5.2501 3  384.1741664  595161404411527 0    401228 0      C-13-H3C(O)CH3
  967644.4074  0.0073 -4.2466 3  384.1741664  595161404411427 0    401228 0      C-13-H3C(O)CH3
  967644.4074  0.0073 -5.2499 3  384.1741664  595161404411427 0    401328 0      C-13-H3C(O)CH3
  967645.4905  0.1513 -5.1454 3 1507.3473D36  595161404832063 2    822162 2      C-13-H3C(O)CH3
  967645.4905  0.1513 -5.3181 3 1507.3473D36  595161404832163 2    822162 2      C-13-H3C(O)CH3
  967645.4905  0.1513 -5.3181 3 1507.3473D36  595161404832063 2    822062 2      C-13-H3C(O)CH3
  967645.4905  0.1513 -5.1454 3 1507.3473D36  595161404832163 2    822062 2      C-13-H3C(O)CH3
  967648.6097  0.0848 -4.7689 3 1275.6562B28  595161404703436 0    693535 0      C-13-H3C(O)CH3
  967648.8150  0.0848 -4.7689 3 1275.6562B28  595161404703536 0    693435 0      C-13-H3C(O)CH3
  967651.5721  0.0840 -4.7690 3 1275.6715B28  595161404703436 1    693535 1      C-13-H3C(O)CH3
  967651.8163  0.0840 -4.7690 3 1275.6715B28  595161404703536 1    693435 1      C-13-H3C(O)CH3
  967652.3879  0.0866 -4.7690 3 1275.6742B28  595161404703436 2    693535 2      C-13-H3C(O)CH3
  967652.6031  0.0866 -4.7690 3 1275.6742B28  595161404703536 2    693435 2      C-13-H3C(O)CH3
  967654.6047  0.1130 -5.2343 3 1507.3681668  595161404832163 3    822062 3      C-13-H3C(O)CH3
  967654.6047  0.1130 -5.2343 3 1507.3681668  595161404832063 3    822162 3      C-13-H3C(O)CH3
  967654.6235  0.1130 -5.9063 3 1507.3682668  595161404832063 4    822162 4      C-13-H3C(O)CH3
  967654.6235  0.1130 -5.9063 3 1507.3682668  595161404832163 4    822062 4      C-13-H3C(O)CH3
  967654.6235  0.1130 -5.3242 3 1507.3682668  595161404832163 4    822162 4      C-13-H3C(O)CH3
  967654.6235  0.1130 -5.3242 3 1507.3682668  595161404832063 4    822062 4      C-13-H3C(O)CH3
  967655.3511  0.0797 -5.0700 3 1275.6896564  595161404703436 4    693535 4      C-13-H3C(O)CH3
  967655.3633  0.0797 -5.0700 3 1275.6895564  595161404703436 3    693535 3      C-13-H3C(O)CH3
  967655.6058  0.0797 -5.0700 3 1275.6896564  595161404703536 4    693435 4      C-13-H3C(O)CH3
  967655.6191  0.0797 -5.0700 3 1275.6895564  595161404703536 3    693435 3      C-13-H3C(O)CH3
  967661.1889  0.0920 -5.1035 3 1342.0993588  595161404733142 4    723241 4      C-13-H3C(O)CH3
  967661.1889  0.0920 -5.1035 3 1342.0993588  595161404733242 4    723141 4      C-13-H3C(O)CH3
  967661.2054  0.0920 -5.1034 3 1342.0992588  595161404733142 3    723241 3      C-13-H3C(O)CH3
  967661.2054  0.0920 -5.1034 3 1342.0992588  595161404733242 3    723141 3      C-13-H3C(O)CH3
  967664.4209  0.1028 -4.8024 3 1342.0792B76  595161404733142 1    723241 1      C-13-H3C(O)CH3
  967664.4209  0.1028 -4.8024 3 1342.0792B76  595161404733242 1    723141 1      C-13-H3C(O)CH3
  967666.7098  0.1046 -4.8026 3 1342.0816B76  595161404733142 2    723241 2      C-13-H3C(O)CH3
  967666.7098  0.1046 -4.8027 3 1342.0816B76  595161404733242 2    723141 2      C-13-H3C(O)CH3
  967669.9275  0.1028 -4.8025 3 1342.0617B76  595161404733142 0    723241 0      C-13-H3C(O)CH3
  967669.9275  0.1028 -4.8024 3 1342.0617B76  595161404733242 0    723141 0      C-13-H3C(O)CH3
  967844.3493  0.0638 -4.4678 3  544.2554728  595161404452917 2    442618 2      C-13-H3C(O)CH3
  967854.2410  0.0186 -3.4912 3  765.0528792  5951614044947 2 0    4846 3 0      C-13-H3C(O)CH3
  967854.2410  0.0186 -3.4912 3  765.0528792  5951614044947 3 0    4846 2 0      C-13-H3C(O)CH3
  967869.2011  0.0199 -3.4913 3  765.1127792  5951614044947 2 1    4846 2 1      C-13-H3C(O)CH3
  967869.2042  0.2037 -5.4154 3  801.5967436  595161404543618 4    533519 4      C-13-H3C(O)CH3
  967929.1622  0.0203 -3.4911 3  765.0898792  5951614044947 2 2    4846 2 2      C-13-H3C(O)CH3
  967944.7083  0.0254 -3.7923 3  765.1496396  5951614044947 2 4    4846 2 4      C-13-H3C(O)CH3
  968014.5213  0.0233 -3.4910 3  765.0442792  5951614044947 3 2    4846 3 2      C-13-H3C(O)CH3
  968029.7583  0.0287 -3.7921 3  765.1040396  5951614044947 3 3    4846 3 3      C-13-H3C(O)CH3
  968054.0332  0.0220 -3.4910 3  765.0712792  5951614044947 3 1    4846 3 1      C-13-H3C(O)CH3
  968129.1724  0.0286 -3.7920 3  765.1081396  5951614044947 2 3    4846 2 3      C-13-H3C(O)CH3
  968141.9233  0.0959 -5.1309 3 1362.9506596  595161404743144 4    733043 4      C-13-H3C(O)CH3
  968141.9233  0.0959 -5.1206 3 1362.9506596  595161404743044 4    733143 4      C-13-H3C(O)CH3
  968141.9382  0.0959 -5.1190 3 1362.9506596  595161404743044 3    733143 3      C-13-H3C(O)CH3
  968141.9382  0.0959 -5.1309 3 1362.9506596  595161404743144 3    733043 3      C-13-H3C(O)CH3
  968145.6368  0.1094 -4.8266 3 1362.9301B92  595161404743144 1    733043 1      C-13-H3C(O)CH3
  968145.6368  0.1094 -4.8181 3 1362.9301B92  595161404743044 1    733143 1      C-13-H3C(O)CH3
  968148.3271  0.1108 -4.8242 3 1362.9325B92  595161404743044 2    733043 2      C-13-H3C(O)CH3
  968148.3271  0.1108 -4.8248 3 1362.9325B92  595161404743144 2    733043 2      C-13-H3C(O)CH3
  968152.0280  0.1089 -4.9461 3 1362.9120B92  595161404743144 0    733143 0      C-13-H3C(O)CH3
  968152.0280  0.1089 -5.4071 3 1362.9120B92  595161404743044 0    733143 0      C-13-H3C(O)CH3
  968152.0280  0.1089 -5.4071 3 1362.9120B92  595161404743144 0    733043 0      C-13-H3C(O)CH3
  968152.0280  0.1089 -4.9461 3 1362.9120B92  595161404743044 0    733043 0      C-13-H3C(O)CH3
  968204.1326  0.0558 -4.7812 3  544.2323364  595161404452917 4    442618 4      C-13-H3C(O)CH3
  968213.9074  0.0347 -3.7919 3  765.0625396  5951614044947 3 4    4846 3 4      C-13-H3C(O)CH3
  968347.6252  0.0077 -4.1052 3  455.9003696  595161404431924 0    421825 0      C-13-H3C(O)CH3
  968347.7059  0.0077 -4.1052 3  455.9003696  595161404432024 0    421725 0      C-13-H3C(O)CH3
  968380.6177  0.0948 -5.2047 3 1586.9148E64  595161404911180 0    901179 0      C-13-H3C(O)CH3
  968380.6177  0.0948 -5.3411 3 1586.9148E64  595161404911180 0    901279 0      C-13-H3C(O)CH3
  968380.6177  0.0948 -5.2047 3 1586.9148E64  595161404911280 0    901279 0      C-13-H3C(O)CH3
  968380.6177  0.0948 -5.3411 3 1586.9148E64  595161404911280 0    901179 0      C-13-H3C(O)CH3
  968413.0243  0.0099 -4.1050 3  455.8723696  595161404431924 2    421825 2      C-13-H3C(O)CH3
  968413.1136  0.0099 -4.1050 3  455.8723696  595161404432024 2    421725 2      C-13-H3C(O)CH3
  968414.8893  0.0974 -5.6755 3 1586.9176E64  595161404911280 1    901279 1      C-13-H3C(O)CH3
  968414.8893  0.0974 -5.0610 3 1586.9176E64  595161404911180 1    901279 1      C-13-H3C(O)CH3
  968414.8893  0.0974 -5.6755 3 1586.9176E64  595161404911180 1    901179 1      C-13-H3C(O)CH3
  968414.8893  0.0974 -5.0610 3 1586.9176E64  595161404911280 1    901179 1      C-13-H3C(O)CH3
  968415.0439  0.0944 -4.9755 3 1586.9173E64  595161404911180 2    901279 2      C-13-H3C(O)CH3
  968415.0439  0.0944 -4.9755 3 1586.9173E64  595161404911280 2    901179 2      C-13-H3C(O)CH3
  968421.7129  0.0086 -4.1050 3  455.8741696  595161404431924 1    421825 1      C-13-H3C(O)CH3
  968421.7990  0.0086 -4.1050 3  455.8741696  595161404432024 1    421725 1      C-13-H3C(O)CH3
  968449.3412  0.0934 -5.5457 3 1586.9201732  595161404911280 3    901279 3      C-13-H3C(O)CH3
  968449.3412  0.0934 -5.5457 3 1586.9201732  595161404911180 3    901179 3      C-13-H3C(O)CH3
  968449.3412  0.0934 -5.5928 3 1586.9201732  595161404911280 3    901179 3      C-13-H3C(O)CH3
  968449.3412  0.0934 -5.5928 3 1586.9201732  595161404911180 3    901279 3      C-13-H3C(O)CH3
  968449.3853  0.0934 -5.2747 3 1586.9201732  595161404911180 4    901179 4      C-13-H3C(O)CH3
  968449.3853  0.0934 -5.2747 3 1586.9201732  595161404911280 4    901279 4      C-13-H3C(O)CH3
  968465.8271  0.0655 -4.7640 3  544.2319364  595161404452917 3    442618 3      C-13-H3C(O)CH3
  968487.2556  0.0110 -4.4057 3  455.8460348  595161404431924 4    421825 4      C-13-H3C(O)CH3
  968487.2665  0.0110 -4.4057 3  455.8461348  595161404431924 3    421825 3      C-13-H3C(O)CH3
  968487.3501  0.0110 -4.4057 3  455.8460348  595161404432024 4    421725 4      C-13-H3C(O)CH3
  968487.3617  0.0110 -4.4057 3  455.8461348  595161404432024 3    421725 3      C-13-H3C(O)CH3
  968555.0684  0.0790 -4.7652 3 1252.1149B12  595161404693534 0    683633 0      C-13-H3C(O)CH3
  968562.4843  0.0791 -4.7652 3 1252.1147B12  595161404693634 0    683533 0      C-13-H3C(O)CH3
  968564.6656  0.0780 -4.7653 3 1252.1288B12  595161404693534 1    683633 1      C-13-H3C(O)CH3
  968565.0229  0.0806 -4.7653 3 1252.1318B12  595161404693534 2    683633 2      C-13-H3C(O)CH3
  968572.7763  0.0804 -4.7653 3 1252.1316B12  595161404693634 2    683533 2      C-13-H3C(O)CH3
  968573.0007  0.0780 -4.7653 3 1252.1286B12  595161404693634 1    683533 1      C-13-H3C(O)CH3
  968574.6353  0.0752 -5.0664 3 1252.1457556  595161404693534 3    683633 3      C-13-H3C(O)CH3
  968574.6416  0.0752 -5.0664 3 1252.1457556  595161404693534 4    683633 4      C-13-H3C(O)CH3
  968583.3323  0.0748 -5.0664 3 1252.1455556  595161404693634 4    683533 4      C-13-H3C(O)CH3
  968583.3444  0.0748 -5.0664 3 1252.1455556  595161404693634 3    683533 3      C-13-H3C(O)CH3
  968704.3352  0.1427 -4.9433 3 1521.9074D52  595161404841965 0    832064 0      C-13-H3C(O)CH3
  968704.3352  0.1427 -4.9433 3 1521.9074D52  595161404842065 0    831964 0      C-13-H3C(O)CH3
  968716.3278  0.1485 -5.3319 3 1521.9280D52  595161404841965 1    832064 1      C-13-H3C(O)CH3
  968716.3278  0.1485 -5.1587 3 1521.9280D52  595161404841965 1    831964 1      C-13-H3C(O)CH3
  968716.3278  0.1485 -5.1587 3 1521.9280D52  595161404842065 1    832064 1      C-13-H3C(O)CH3
  968716.3278  0.1485 -5.3319 3 1521.9280D52  595161404842065 1    831964 1      C-13-H3C(O)CH3
  968719.7335  0.1516 -4.9598 3 1521.9293D52  595161404841965 2    831964 2      C-13-H3C(O)CH3
  968719.7335  0.1516 -4.9598 3 1521.9293D52  595161404842065 2    832064 2      C-13-H3C(O)CH3
  968731.7491  0.1132 -5.8687 3 1521.9499676  595161404842065 3    831964 3      C-13-H3C(O)CH3
  968731.7491  0.1132 -5.3521 3 1521.9499676  595161404841965 3    831964 3      C-13-H3C(O)CH3
  968731.7491  0.1132 -5.2599 3 1521.9499676  595161404841965 3    832064 3      C-13-H3C(O)CH3
  968731.7712  0.1132 -5.2451 3 1521.9499676  595161404842065 4    832064 4      C-13-H3C(O)CH3
  968731.7712  0.1132 -5.2451 3 1521.9499676  595161404841965 4    831964 4      C-13-H3C(O)CH3
  968756.9420  0.0996 -5.1392 3 1383.1953604  595161404752946 4    742945 4      C-13-H3C(O)CH3
  968756.9420  0.0996 -5.1392 3 1383.1953604  595161404753046 4    743045 4      C-13-H3C(O)CH3
  968756.9549  0.0996 -5.1919 3 1383.1952604  595161404753046 3    743045 3      C-13-H3C(O)CH3
  968756.9549  0.0996 -5.1919 3 1383.1952604  595161404752946 3    742945 3      C-13-H3C(O)CH3
  968760.6124  0.1159 -4.9803 3 1383.1744C08  595161404752946 1    742945 1      C-13-H3C(O)CH3
  968760.6124  0.1159 -5.3730 3 1383.1744C08  595161404753046 1    742945 1      C-13-H3C(O)CH3
  968760.6124  0.1159 -4.8540 3 1383.1744C08  595161404753046 1    743045 1      C-13-H3C(O)CH3
  968763.6656  0.1170 -4.8667 3 1383.1767C08  595161404753046 2    743045 2      C-13-H3C(O)CH3
  968763.6656  0.1170 -4.8667 3 1383.1767C08  595161404752946 2    742945 2      C-13-H3C(O)CH3
  968763.6656  0.1170 -5.9552 3 1383.1767C08  595161404753046 2    742945 2      C-13-H3C(O)CH3
  968763.6656  0.1170 -5.9552 3 1383.1767C08  595161404752946 2    743045 2      C-13-H3C(O)CH3
  968767.3263  0.1150 -5.2892 3 1383.1559C08  595161404752946 0    743045 0      C-13-H3C(O)CH3
  968767.3263  0.1150 -5.0193 3 1383.1559C08  595161404752946 0    742945 0      C-13-H3C(O)CH3
  968767.3263  0.1150 -5.0193 3 1383.1559C08  595161404753046 0    743045 0      C-13-H3C(O)CH3
  968767.3263  0.1150 -5.2892 3 1383.1559C08  595161404753046 0    742945 0      C-13-H3C(O)CH3
  968915.4427  0.0411 -5.2758 3 1617.5955788  59516140498 495 4    97 394 4      C-13-H3C(O)CH3
  968915.4427  0.0411 -5.2458 3 1617.5955788  59516140498 395 4    97 494 4      C-13-H3C(O)CH3
  968915.4816  0.0411 -5.7278 3 1617.5955788  59516140498 495 3    97 394 3      C-13-H3C(O)CH3
  968915.4816  0.0411 -5.7278 3 1617.5955788  59516140498 395 3    97 494 3      C-13-H3C(O)CH3
  968915.4816  0.0411 -5.4194 3 1617.5955788  59516140498 495 3    97 494 3      C-13-H3C(O)CH3
  968915.4816  0.0411 -5.4194 3 1617.5955788  59516140498 395 3    97 394 3      C-13-H3C(O)CH3
  968931.0292  0.0541 -5.0529 3 1617.6268F76  59516140498 495 1    97 494 1      C-13-H3C(O)CH3
  968931.0292  0.0541 -5.6017 3 1617.6268F76  59516140498 495 1    97 394 1      C-13-H3C(O)CH3
  968931.0292  0.0541 -5.0529 3 1617.6268F76  59516140498 395 1    97 394 1      C-13-H3C(O)CH3
  968931.0292  0.0541 -5.6017 3 1617.6268F76  59516140498 395 1    97 494 1      C-13-H3C(O)CH3
  968931.0388  0.0567 -5.0070 3 1617.6265F76  59516140498 495 2    97 394 2      C-13-H3C(O)CH3
  968931.0388  0.0567 -5.8195 3 1617.6265F76  59516140498 495 2    97 494 2      C-13-H3C(O)CH3
  968931.0388  0.0567 -5.0070 3 1617.6265F76  59516140498 395 2    97 494 2      C-13-H3C(O)CH3
  968931.0388  0.0567 -5.8195 3 1617.6265F76  59516140498 395 2    97 394 2      C-13-H3C(O)CH3
  968946.5976  0.0453 -4.9453 3 1617.6578F76  59516140498 395 0    97 394 0      C-13-H3C(O)CH3
  968946.5976  0.0453 -4.9453 3 1617.6578F76  59516140498 495 0    97 494 0      C-13-H3C(O)CH3
  969280.1241  0.0114 -5.7659 3  272.2951536  595161404331915 2    321418 2      C-13-H3C(O)CH3
  969348.6117  0.0255 -5.0458 3  398.9684632  595161404392415 2    382118 2      C-13-H3C(O)CH3
  969364.4409  0.0112 -5.7647 3  272.2982536  595161404331915 1    321418 1      C-13-H3C(O)CH3
  969366.2766  0.0106 -5.7659 3  272.3179536  595161404331915 0    321418 0      C-13-H3C(O)CH3
  969472.8711  0.0292 -5.3457 3  398.9451316  595161404392415 3    382118 3      C-13-H3C(O)CH3
  969473.6135  0.1032 -5.1809 3 1402.8470612  595161404762848 4    752847 4      C-13-H3C(O)CH3
  969473.6135  0.1032 -5.1809 3 1402.8470612  595161404762948 4    752947 4      C-13-H3C(O)CH3
  969473.6239  0.1032 -5.2430 3 1402.8470612  595161404762948 3    752947 3      C-13-H3C(O)CH3
  969473.6239  0.1032 -5.8639 3 1402.8470612  595161404762948 3    752847 3      C-13-H3C(O)CH3
  969473.6239  0.1032 -5.2430 3 1402.8470612  595161404762848 3    752847 3      C-13-H3C(O)CH3
  969473.6239  0.1032 -5.8639 3 1402.8470612  595161404762848 3    752947 3      C-13-H3C(O)CH3
  969473.8063  0.0274 -5.3457 3  398.9450316  595161404392415 4    382118 4      C-13-H3C(O)CH3
  969476.8191  0.1225 -5.1028 3 1402.8257C24  595161404762948 1    752847 1      C-13-H3C(O)CH3
  969476.8191  0.1225 -5.2023 3 1402.8257C24  595161404762948 1    752947 1      C-13-H3C(O)CH3
  969476.8191  0.1225 -5.1028 3 1402.8257C24  595161404762848 1    752947 1      C-13-H3C(O)CH3
  969476.8191  0.1225 -5.2023 3 1402.8257C24  595161404762848 1    752847 1      C-13-H3C(O)CH3
  969480.1940  0.1233 -5.0669 3 1402.8280C24  595161404762948 2    752947 2      C-13-H3C(O)CH3
  969480.1940  0.1233 -5.2522 3 1402.8280C24  595161404762948 2    752847 2      C-13-H3C(O)CH3
  969480.1940  0.1233 -5.0669 3 1402.8280C24  595161404762848 2    752847 2      C-13-H3C(O)CH3
  969480.1940  0.1233 -5.2522 3 1402.8280C24  595161404762848 2    752947 2      C-13-H3C(O)CH3
  969483.3936  0.1209 -4.8523 3 1402.8068C24  595161404762948 0    752847 0      C-13-H3C(O)CH3
  969483.3936  0.1209 -4.8489 3 1402.8068C24  595161404762848 0    752947 0      C-13-H3C(O)CH3
  969485.8042  0.0177 -5.0493 3  398.9968632  595161404392415 0    382118 0      C-13-H3C(O)CH3
  969585.3417  0.0924 -5.9298 3 1596.6437E80  595161404921182 0    911181 0      C-13-H3C(O)CH3
  969585.3417  0.0924 -5.0244 3 1596.6437E80  595161404921182 0    911081 0      C-13-H3C(O)CH3
  969585.3417  0.0924 -5.0244 3 1596.6437E80  595161404921082 0    911181 0      C-13-H3C(O)CH3
  969585.3417  0.0924 -5.9298 3 1596.6437E80  595161404921082 0    911081 0      C-13-H3C(O)CH3
  969608.1782  0.0190 -5.0482 3  398.9735632  595161404392415 1    382118 1      C-13-H3C(O)CH3
  969619.3484  0.0961 -5.8655 3 1596.6411E80  595161404921082 2    911181 2      C-13-H3C(O)CH3
  969619.3484  0.0961 -5.0331 3 1596.6411E80  595161404921082 2    911081 2      C-13-H3C(O)CH3
  969619.3484  0.0961 -5.8655 3 1596.6411E80  595161404921182 2    911081 2      C-13-H3C(O)CH3
  969619.3484  0.0961 -5.0331 3 1596.6411E80  595161404921182 2    911181 2      C-13-H3C(O)CH3
  969619.4133  0.1020 -5.6025 3 1596.6414E80  595161404921082 1    911081 1      C-13-H3C(O)CH3
  969619.4133  0.1020 -5.0899 3 1596.6414E80  595161404921082 1    911181 1      C-13-H3C(O)CH3
  969619.4133  0.1020 -5.0899 3 1596.6414E80  595161404921182 1    911081 1      C-13-H3C(O)CH3
  969619.4133  0.1020 -5.6025 3 1596.6414E80  595161404921182 1    911181 1      C-13-H3C(O)CH3
  969653.4410  0.0913 -5.2864 3 1596.6387740  595161404921182 3    911181 3      C-13-H3C(O)CH3
  969653.4410  0.0913 -5.2864 3 1596.6387740  595161404921082 3    911081 3      C-13-H3C(O)CH3
  969653.4840  0.0913 -5.8193 3 1596.6387740  595161404921182 4    911081 4      C-13-H3C(O)CH3
  969653.4840  0.0913 -5.8193 3 1596.6387740  595161404921082 4    911181 4      C-13-H3C(O)CH3
  969653.4840  0.0913 -5.4204 3 1596.6387740  595161404921082 4    911081 4      C-13-H3C(O)CH3
  969653.4840  0.0913 -5.4204 3 1596.6387740  595161404921182 4    911181 4      C-13-H3C(O)CH3
  969780.9532  0.0111 -3.5422 3  769.9533808  5951614045045 6 0    4944 6 0      C-13-H3C(O)CH3
  969780.9532  0.0111 -3.5422 3  769.9533808  5951614045045 5 0    4944 5 0      C-13-H3C(O)CH3
  969794.0675  0.1413 -5.5645 3 1535.9480D68  595161404851867 0    841966 0      C-13-H3C(O)CH3
  969794.0675  0.1413 -5.0457 3 1535.9480D68  595161404851967 0    841966 0      C-13-H3C(O)CH3
  969794.0675  0.1413 -5.6465 3 1535.9480D68  595161404851967 0    841866 0      C-13-H3C(O)CH3
  969794.0675  0.1413 -5.0690 3 1535.9480D68  595161404851867 0    841866 0      C-13-H3C(O)CH3
  969801.7439  0.0127 -3.5422 3  769.9730808 -5951614045045 5 2    4944 5 2      C-13-H3C(O)CH3
  969805.5594  0.0118 -3.5422 3  769.9939808 -5951614045045 5 1    4944 5 1      C-13-H3C(O)CH3
  969809.1618  0.1464 -4.9777 3 1535.9681D68  595161404851967 1    841966 1      C-13-H3C(O)CH3
  969809.1618  0.1464 -4.9777 3 1535.9681D68  595161404851867 1    841866 1      C-13-H3C(O)CH3
  969812.2563  0.1502 -5.2833 3 1535.9691D68  595161404851867 2    841966 2      C-13-H3C(O)CH3
  969812.2563  0.1502 -5.2183 3 1535.9691D68  595161404851867 2    841866 2      C-13-H3C(O)CH3
  969812.2563  0.1502 -5.2833 3 1535.9691D68  595161404851967 2    841866 2      C-13-H3C(O)CH3
  969812.2563  0.1502 -5.2183 3 1535.9691D68  595161404851967 2    841966 2      C-13-H3C(O)CH3
  969826.4303  0.0171 -3.8432 3  770.0134404  5951614045045 5 4    4944 5 4      C-13-H3C(O)CH3
  969827.3756  0.1128 -5.3199 3 1535.9893684  595161404851867 3    841966 3      C-13-H3C(O)CH3
  969827.3756  0.1128 -5.3199 3 1535.9893684  595161404851967 3    841866 3      C-13-H3C(O)CH3
  969827.4011  0.1128 -5.2689 3 1535.9893684  595161404851867 4    841866 4      C-13-H3C(O)CH3
  969827.4011  0.1128 -5.2689 3 1535.9893684  595161404851967 4    841966 4      C-13-H3C(O)CH3
  969873.3388  0.0130 -3.5421 3  769.9524808 -5951614045045 6 2    4944 6 2      C-13-H3C(O)CH3
  969897.5844  0.0175 -3.8432 3  769.9929404  5951614045045 5 3    4944 5 3      C-13-H3C(O)CH3
  969936.9711  0.0125 -3.5420 3  769.9604808 -5951614045045 6 1    4944 6 1      C-13-H3C(O)CH3
  969957.2617  0.0178 -3.8431 3  769.9800404  5951614045045 6 3    4944 6 3      C-13-H3C(O)CH3
  969988.8404  0.0164 -5.9802 3  449.7340664  595161404412715 2    402417 2      C-13-H3C(O)CH3
  969990.0542  0.0174 -5.9750 3  449.7140332  595161404412715 4    402417 4      C-13-H3C(O)CH3
  970028.8205  0.0195 -3.8430 3  769.9594404  5951614045045 6 4    4944 6 4      C-13-H3C(O)CH3
  970219.6346  0.0283 -5.3028 3 1623.0784796  59516140499 297 4    98 396 4      C-13-H3C(O)CH3
  970219.6346  0.0283 -5.3028 3 1623.0784796  59516140499 397 4    98 296 4      C-13-H3C(O)CH3
  970219.6496  0.0283 -5.9516 3 1623.0783796  59516140499 297 3    98 396 3      C-13-H3C(O)CH3
  970219.6496  0.0283 -5.3410 3 1623.0783796  59516140499 297 3    98 296 3      C-13-H3C(O)CH3
  970219.6496  0.0283 -5.9516 3 1623.0783796  59516140499 397 3    98 296 3      C-13-H3C(O)CH3
  970219.6496  0.0283 -5.3410 3 1623.0783796  59516140499 397 3    98 396 3      C-13-H3C(O)CH3
  970220.5782  0.0103 -4.6838 3  343.7942324  595161404401129 4    391030 4      C-13-H3C(O)CH3
  970220.5782  0.0103 -5.5406 3  343.7942324  595161404401229 4    391030 4      C-13-H3C(O)CH3
  970220.5782  0.0103 -4.6838 3  343.7942324  595161404401229 4    39 930 4      C-13-H3C(O)CH3
  970220.5782  0.0103 -5.5406 3  343.7942324  595161404401129 4    39 930 4      C-13-H3C(O)CH3
  970221.1229  0.0098 -5.9749 3  343.7942324  595161404401229 3    39 930 3      C-13-H3C(O)CH3
  970221.1229  0.0098 -4.6472 3  343.7942324  595161404401129 3    39 930 3      C-13-H3C(O)CH3
  970221.1229  0.0098 -5.9749 3  343.7942324  595161404401129 3    391030 3      C-13-H3C(O)CH3
  970221.1229  0.0098 -4.6472 3  343.7942324  595161404401229 3    391030 3      C-13-H3C(O)CH3
  970241.6700  0.0283 -4.9486 3 1623.0967F92 -59516140499 297 1    98 296 1      C-13-H3C(O)CH3
  970241.6700  0.0351 -5.4350 3 1623.0962F92 -59516140499 397 2    98 296 2      C-13-H3C(O)CH3
  970241.6700  0.0283 -4.9486 3 1623.0967F92 -59516140499 397 1    98 396 1      C-13-H3C(O)CH3
  970241.6700  0.0351 -5.4350 3 1623.0962F92 -59516140499 297 2    98 396 2      C-13-H3C(O)CH3
  970241.8557  0.0351 -5.1145 3 1623.0962F92  59516140499 297 2    98 296 2      C-13-H3C(O)CH3
  970241.8557  0.0351 -5.1145 3 1623.0962F92  59516140499 397 2    98 396 2      C-13-H3C(O)CH3
  970264.2466  0.0263 -5.7766 3 1623.1146F92  59516140499 297 0    98 396 0      C-13-H3C(O)CH3
  970264.2466  0.0263 -5.0140 3 1623.1146F92  59516140499 297 0    98 296 0      C-13-H3C(O)CH3
  970264.2466  0.0263 -5.0140 3 1623.1146F92  59516140499 397 0    98 396 0      C-13-H3C(O)CH3
  970264.2466  0.0263 -5.7766 3 1623.1146F92  59516140499 397 0    98 296 0      C-13-H3C(O)CH3
  970269.0856  0.1065 -5.2096 3 1421.9164620  595161404772850 4    762849 4      C-13-H3C(O)CH3
  970269.0856  0.1065 -5.2096 3 1421.9164620  595161404772750 4    762749 4      C-13-H3C(O)CH3
  970269.0933  0.1065 -5.1957 3 1421.9164620  595161404772750 3    762749 3      C-13-H3C(O)CH3
  970269.0933  0.1065 -5.1957 3 1421.9164620  595161404772850 3    762849 3      C-13-H3C(O)CH3
  970271.4702  0.1290 -5.4737 3 1421.8948C40  595161404772850 1    762749 1      C-13-H3C(O)CH3
  970271.4702  0.1290 -4.9877 3 1421.8948C40  595161404772750 1    762749 1      C-13-H3C(O)CH3
  970271.4702  0.1290 -5.4326 3 1421.8948C40  595161404772750 1    762849 1      C-13-H3C(O)CH3
  970271.4702  0.1290 -5.0020 3 1421.8948C40  595161404772850 1    762849 1      C-13-H3C(O)CH3
  970275.1219  0.1295 -4.8969 3 1421.8970C40  595161404772750 2    762749 2      C-13-H3C(O)CH3
  970275.1219  0.1295 -4.8969 3 1421.8970C40  595161404772850 2    762849 2      C-13-H3C(O)CH3
  970277.5046  0.1267 -4.8672 3 1421.8754C40  595161404772750 0    762849 0      C-13-H3C(O)CH3
  970277.5046  0.1267 -4.8662 3 1421.8754C40  595161404772850 0    762749 0      C-13-H3C(O)CH3
  970318.9290  0.0269 -5.2003 3  376.4635616  595161404382315 2    372018 2      C-13-H3C(O)CH3
  970370.1539  0.0727 -4.7701 3 1227.7581A96  595161404683632 0    673731 0      C-13-H3C(O)CH3
  970371.5386  0.0097 -4.4996 3  343.8152648  595161404401229 2    391030 2      C-13-H3C(O)CH3
  970371.5386  0.0097 -4.8085 3  343.8152648  595161404401229 2    39 930 2      C-13-H3C(O)CH3
  970371.5386  0.0097 -4.8085 3  343.8152648  595161404401129 2    391030 2      C-13-H3C(O)CH3
  970371.5386  0.0097 -4.4996 3  343.8152648  595161404401129 2    39 930 2      C-13-H3C(O)CH3
  970377.0425  0.0099 -4.3616 3  343.8161648  595161404401129 1    39 930 1      C-13-H3C(O)CH3
  970377.0425  0.0099 -5.4327 3  343.8161648  595161404401129 1    391030 1      C-13-H3C(O)CH3
  970377.0425  0.0099 -5.4327 3  343.8161648  595161404401229 1    39 930 1      C-13-H3C(O)CH3
  970377.0425  0.0099 -4.3616 3  343.8161648  595161404401229 1    391030 1      C-13-H3C(O)CH3
  970385.2645  0.0722 -4.7703 3 1227.7700A96  595161404683632 1    673731 1      C-13-H3C(O)CH3
  970388.3233  0.0758 -4.7703 3 1227.7733A96  595161404683632 2    673731 2      C-13-H3C(O)CH3
  970403.2551  0.0725 -5.0714 3 1227.7852548  595161404683632 3    673731 3      C-13-H3C(O)CH3
  970403.3988  0.0723 -5.0714 3 1227.7852548  595161404683632 4    673731 4      C-13-H3C(O)CH3
  970460.0297  0.0297 -5.5003 3  376.4397308  595161404382315 4    372018 4      C-13-H3C(O)CH3
  970462.6331  0.0301 -5.5003 3  376.4397308  595161404382315 3    372018 3      C-13-H3C(O)CH3
  970492.8341  0.0386 -4.2260 3  590.0680760  595161404472919 0    462620 0      C-13-H3C(O)CH3
  970527.2282  0.0087 -5.4688 3  343.8371648  595161404401229 0    391030 0      C-13-H3C(O)CH3
  970527.2282  0.0087 -4.3585 3  343.8371648  595161404401129 0    391030 0      C-13-H3C(O)CH3
  970527.2282  0.0087 -5.4688 3  343.8371648  595161404401129 0    39 930 0      C-13-H3C(O)CH3
  970527.2282  0.0087 -4.3585 3  343.8371648  595161404401229 0    39 930 0      C-13-H3C(O)CH3
  970532.7835  0.0188 -5.2035 3  376.4921616  595161404382315 0    372018 0      C-13-H3C(O)CH3
  970575.0188  0.0754 -4.7699 3 1227.7529A96  595161404683732 0    673631 0      C-13-H3C(O)CH3
  970601.0297  0.0724 -4.7700 3 1227.7678A96  595161404683732 2    673631 2      C-13-H3C(O)CH3
  970606.6138  0.0724 -4.7701 3 1227.7644A96  595161404683732 1    673631 1      C-13-H3C(O)CH3
  970632.8930  0.0659 -5.0712 3 1227.7794548  595161404683732 4    673631 4      C-13-H3C(O)CH3
  970632.9864  0.0658 -5.0712 3 1227.7793548  595161404683732 3    673631 3      C-13-H3C(O)CH3
  970671.5576  0.0203 -5.2026 3  376.4683616  595161404382315 1    372018 1      C-13-H3C(O)CH3
  970804.9667  0.0926 -4.9826 3 1605.8444E96  595161404931084 0    92 983 0      C-13-H3C(O)CH3
  970804.9667  0.0926 -4.9826 3 1605.8444E96  59516140493 984 0    921083 0      C-13-H3C(O)CH3
  970837.1604  0.1029 -5.1372 3 1605.8359E96  595161404931084 2    921083 2      C-13-H3C(O)CH3
  970837.1604  0.1029 -5.4965 3 1605.8359E96  595161404931084 2    92 983 2      C-13-H3C(O)CH3
  970837.1604  0.1029 -5.1372 3 1605.8359E96  59516140493 984 2    92 983 2      C-13-H3C(O)CH3
  970837.1604  0.1029 -5.4965 3 1605.8359E96  59516140493 984 2    921083 2      C-13-H3C(O)CH3
  970837.3434  0.1106 -5.0072 3 1605.8362E96  595161404931084 1    92 983 1      C-13-H3C(O)CH3
  970837.3434  0.1106 -5.0072 3 1605.8362E96  59516140493 984 1    921083 1      C-13-H3C(O)CH3
  970839.4021  0.0332 -4.2270 3  590.0491760  595161404472919 1    462620 1      C-13-H3C(O)CH3
  970869.5523  0.0893 -5.2808 3 1605.8277748  59516140493 984 3    921083 3      C-13-H3C(O)CH3
  970869.5523  0.0893 -5.2808 3 1605.8277748  595161404931084 3    92 983 3      C-13-H3C(O)CH3
  970869.5918  0.0893 -5.2848 3 1605.8276748  595161404931084 4    92 983 4      C-13-H3C(O)CH3
  970869.5918  0.0893 -5.2848 3 1605.8276748  59516140493 984 4    921083 4      C-13-H3C(O)CH3
  970900.4868  0.1385 -5.2442 3 1549.4487D84  595161404861869 0    851868 0      C-13-H3C(O)CH3
  970900.4868  0.1385 -5.2803 3 1549.4487D84  595161404861869 0    851768 0      C-13-H3C(O)CH3
  970900.4868  0.1385 -5.2442 3 1549.4487D84  595161404861769 0    851768 0      C-13-H3C(O)CH3
  970900.4868  0.1385 -5.2803 3 1549.4487D84  595161404861769 0    851868 0      C-13-H3C(O)CH3
  970918.8280  0.1423 -5.1810 3 1549.4681D84  595161404861869 1    851768 1      C-13-H3C(O)CH3
  970918.8280  0.1423 -5.1810 3 1549.4681D84  595161404861769 1    851868 1      C-13-H3C(O)CH3
  970918.8280  0.1423 -5.3615 3 1549.4681D84  595161404861769 1    851768 1      C-13-H3C(O)CH3
  970918.8280  0.1423 -5.3615 3 1549.4681D84  595161404861869 1    851868 1      C-13-H3C(O)CH3
  970921.5518  0.1468 -5.0046 3 1549.4689D84  595161404861769 2    851768 2      C-13-H3C(O)CH3
  970921.5518  0.1468 -5.0046 3 1549.4689D84  595161404861869 2    851868 2      C-13-H3C(O)CH3
  970939.9201  0.1120 -5.2812 3 1549.4882692  595161404861769 3    851768 3      C-13-H3C(O)CH3
  970939.9201  0.1120 -5.2812 3 1549.4882692  595161404861869 3    851868 3      C-13-H3C(O)CH3
  970939.9488  0.1120 -5.7698 3 1549.4883692  595161404861869 4    851868 4      C-13-H3C(O)CH3
  970939.9488  0.1120 -5.4235 3 1549.4883692  595161404861869 4    851768 4      C-13-H3C(O)CH3
  970939.9488  0.1120 -5.4235 3 1549.4883692  595161404861769 4    851868 4      C-13-H3C(O)CH3
  970939.9488  0.1120 -5.7698 3 1549.4883692  595161404861769 4    851768 4      C-13-H3C(O)CH3
  971026.8196  0.0376 -4.2282 3  590.0413760  595161404472919 2    462620 2      C-13-H3C(O)CH3
  971036.8263  0.0269 -5.8978 3  822.7565888 -595161404553521 1    543421 1      C-13-H3C(O)CH3
  971048.9088  0.0238 -5.7445 3  822.7574888  595161404553521 2    543421 2      C-13-H3C(O)CH3
  971094.1003  1.5943 -5.7910 3 1451.9337B76  595161404734429 1    724528 1      C-13-H3C(O)CH3
  971126.9462  0.1095 -5.2123 3 1440.4120628  595161404782752 4    772651 4      C-13-H3C(O)CH3
  971126.9462  0.1095 -5.1829 3 1440.4120628  595161404782652 4    772751 4      C-13-H3C(O)CH3
  971126.9509  0.1095 -5.7261 3 1440.4119628  595161404782752 3    772651 3      C-13-H3C(O)CH3
  971126.9509  0.1095 -5.7261 3 1440.4119628  595161404782652 3    772751 3      C-13-H3C(O)CH3
  971126.9509  0.1095 -5.3286 3 1440.4119628  595161404782652 3    772651 3      C-13-H3C(O)CH3
  971126.9509  0.1095 -5.3286 3 1440.4119628  595161404782752 3    772751 3      C-13-H3C(O)CH3
  971128.1964  0.1352 -4.8891 3 1440.3900C56  595161404782652 1    772651 1      C-13-H3C(O)CH3
  971128.1964  0.1352 -4.8891 3 1440.3900C56  595161404782752 1    772751 1      C-13-H3C(O)CH3
  971132.0752  0.1357 -5.3607 3 1440.3922C56  595161404782652 2    772751 2      C-13-H3C(O)CH3
  971132.0752  0.1357 -5.0563 3 1440.3922C56  595161404782652 2    772651 2      C-13-H3C(O)CH3
  971132.0752  0.1357 -5.0563 3 1440.3922C56  595161404782752 2    772751 2      C-13-H3C(O)CH3
  971132.0752  0.1357 -5.3607 3 1440.3922C56  595161404782752 2    772651 2      C-13-H3C(O)CH3
  971133.3282  0.1321 -5.9489 3 1440.3702C56  595161404782652 0    772651 0      C-13-H3C(O)CH3
  971133.3282  0.1321 -4.9201 3 1440.3702C56  595161404782752 0    772651 0      C-13-H3C(O)CH3
  971133.3282  0.1321 -5.9489 3 1440.3702C56  595161404782752 0    772751 0      C-13-H3C(O)CH3
  971133.3282  0.1321 -4.9201 3 1440.3702C56  595161404782652 0    772751 0      C-13-H3C(O)CH3
  971151.9067  0.0262 -5.5280 3  822.7675444  595161404553521 4    543421 4      C-13-H3C(O)CH3
  971349.8090  0.0265 -4.5304 3  590.0224380  595161404472919 4    462620 4      C-13-H3C(O)CH3
  971400.7067  0.0287 -4.5300 3  590.0223380  595161404472919 3    462620 3      C-13-H3C(O)CH3
  971437.1527  0.0213 -5.3277 3  396.2186616  595161404382811 1    372512 1      C-13-H3C(O)CH3
  971445.9827  0.0261 -4.1097 3  553.0894744  595161404462521 2    452422 2      C-13-H3C(O)CH3
  971447.2041  0.0150 -4.1098 3  553.1102744  595161404462521 0    452422 0      C-13-H3C(O)CH3
  971477.4861  0.0113 -3.6023 3  776.4996824 -5951614045143 8 2    5042 8 2      C-13-H3C(O)CH3
  971480.6723  0.0320 -5.6128 3  396.2291616  595161404382811 2    372512 2      C-13-H3C(O)CH3
  971488.2814  0.0155 -3.9034 3  776.5288412  5951614045143 8 4    5042 8 4      C-13-H3C(O)CH3
  971488.9473  0.0272 -4.4104 3  553.0716372  595161404462521 3    452422 3      C-13-H3C(O)CH3
  971490.6073  0.0276 -4.4104 3  553.0716372  595161404462521 4    452422 4      C-13-H3C(O)CH3
  971491.2047  0.0144 -4.1096 3  553.0924744  595161404462521 1    452422 1      C-13-H3C(O)CH3
  971506.5658  0.0083 -3.6022 3  776.4800824 -5951614045143 8 0    5042 9 0      C-13-H3C(O)CH3
  971506.5658  0.0083 -3.6022 3  776.4800824 -5951614045143 9 0    5042 8 0      C-13-H3C(O)CH3
  971512.7255  0.0155 -5.6690 3  292.0020552  595161404341915 2    331618 2      C-13-H3C(O)CH3
  971517.6603  0.0096 -3.6022 3  776.5093824 -5951614045143 8 1    5042 8 1      C-13-H3C(O)CH3
  971544.6122  0.0251 -5.8051 3 1628.0497804  595161404A0 199 3    99 198 3      C-13-H3C(O)CH3
  971544.6122  0.0251 -5.3849 3 1628.0497804  595161404A0 199 3    99 298 3      C-13-H3C(O)CH3
  971544.6122  0.0251 -5.8051 3 1628.0497804  595161404A0 299 3    99 298 3      C-13-H3C(O)CH3
  971544.6122  0.0251 -5.3849 3 1628.0497804  595161404A0 299 3    99 198 3      C-13-H3C(O)CH3
  971544.6380  0.0251 -5.8611 3 1628.0498804  595161404A0 299 4    99 298 4      C-13-H3C(O)CH3
  971544.6380  0.0251 -5.3654 3 1628.0498804  595161404A0 299 4    99 198 4      C-13-H3C(O)CH3
  971544.6380  0.0251 -5.3750 3 1628.0498804  595161404A0 199 4    99 298 4      C-13-H3C(O)CH3
  971544.6380  0.0251 -5.8323 3 1628.0498804  595161404A0 199 4    99 198 4      C-13-H3C(O)CH3
  971565.0223  0.0355 -5.0842 3 1628.0396G08  595161404A0 299 2    99 298 2      C-13-H3C(O)CH3
  971565.0223  0.0355 -5.0842 3 1628.0396G08  595161404A0 199 2    99 198 2      C-13-H3C(O)CH3
  971565.0223  0.0355 -5.5032 3 1628.0396G08  595161404A0 199 2    99 298 2      C-13-H3C(O)CH3
  971565.0223  0.0355 -5.5032 3 1628.0396G08  595161404A0 299 2    99 198 2      C-13-H3C(O)CH3
  971565.3267  0.0269 -5.1709 3 1628.0402G08  595161404A0 199 1    99 298 1      C-13-H3C(O)CH3
  971565.3267  0.0269 -5.3343 3 1628.0402G08  595161404A0 299 1    99 298 1      C-13-H3C(O)CH3
  971565.3267  0.0269 -5.1709 3 1628.0402G08  595161404A0 299 1    99 198 1      C-13-H3C(O)CH3
  971565.3267  0.0269 -5.3343 3 1628.0402G08  595161404A0 199 1    99 198 1      C-13-H3C(O)CH3
  971574.2042  0.0102 -3.6023 3  776.4948824 -5951614045143 9 2    5042 9 2      C-13-H3C(O)CH3
  971584.6868  0.0146 -3.9033 3  776.5241412  5951614045143 8 3    5042 8 3      C-13-H3C(O)CH3
  971585.6885  0.0231 -5.7178 3 1628.0301G08  595161404A0 299 0    99 298 0      C-13-H3C(O)CH3
  971585.6885  0.0231 -5.0240 3 1628.0301G08  595161404A0 299 0    99 198 0      C-13-H3C(O)CH3
  971585.6885  0.0231 -5.0240 3 1628.0301G08  595161404A0 199 0    99 298 0      C-13-H3C(O)CH3
  971585.6885  0.0231 -5.7178 3 1628.0301G08  595161404A0 199 0    99 198 0      C-13-H3C(O)CH3
  971598.8552  0.0153 -3.9033 3  776.5067412  5951614045143 9 3    5042 9 3      C-13-H3C(O)CH3
  971605.1752  0.0186 -5.9685 3  291.9804276  595161404341915 3    331618 3      C-13-H3C(O)CH3
  971611.9778  0.0178 -5.9685 3  291.9804276  595161404341915 4    331618 4      C-13-H3C(O)CH3
  971628.4316  0.0093 -3.6022 3  776.4871824 -5951614045143 9 1    5042 9 1      C-13-H3C(O)CH3
  971662.0532  0.0129 -5.6695 3  292.0269552  595161404341915 0    331618 0      C-13-H3C(O)CH3
  971695.9126  0.0147 -3.9033 3  776.5019412  5951614045143 9 4    5042 9 4      C-13-H3C(O)CH3
  971717.7391  0.0353 -5.7609 3  396.2050308  595161404382811 3    372512 3      C-13-H3C(O)CH3
  971749.5461  0.0176 -4.9174 3  396.2395616  595161404382811 0    372512 0      C-13-H3C(O)CH3
  971754.7788  0.0153 -5.6683 3  292.0054552  595161404341915 1    331618 1      C-13-H3C(O)CH3
  971865.4782  0.0134 -5.5672 3  302.7919316  59516140439 831 4    38 732 4      C-13-H3C(O)CH3
  971865.4782  0.0134 -4.9089 3  302.7919316  59516140439 831 4    38 632 4      C-13-H3C(O)CH3
  971865.4782  0.0134 -5.5672 3  302.7919316  59516140439 931 4    38 632 4      C-13-H3C(O)CH3
  971865.4782  0.0134 -4.9089 3  302.7919316  59516140439 931 4    38 732 4      C-13-H3C(O)CH3
  971866.1017  0.0123 -5.1942 3  302.7919316  59516140439 931 3    38 632 3      C-13-H3C(O)CH3
  971866.1017  0.0123 -5.0630 3  302.7919316  59516140439 931 3    38 732 3      C-13-H3C(O)CH3
  971866.1017  0.0123 -5.0630 3  302.7919316  59516140439 831 3    38 632 3      C-13-H3C(O)CH3
  971866.1017  0.0123 -5.1942 3  302.7919316  59516140439 831 3    38 732 3      C-13-H3C(O)CH3
  971892.8534  2.1824 -5.7898 3 1451.9252B76  595161404734429 2    724528 2      C-13-H3C(O)CH3
  971902.8941  0.0197 -5.1281 3  396.2186616  595161404382810 1    372512 1      C-13-H3C(O)CH3
  971913.1133  0.0249 -5.3617 3  396.2050308  595161404382810 3    372512 3      C-13-H3C(O)CH3
  972022.5192  0.1342 -5.4475 3 1562.4116E00  595161404871671 0    861770 0      C-13-H3C(O)CH3
  972022.5192  0.1342 -5.4475 3 1562.4116E00  595161404871771 0    861670 0      C-13-H3C(O)CH3
  972022.5192  0.1342 -5.1497 3 1562.4116E00  595161404871771 0    861770 0      C-13-H3C(O)CH3
  972022.5192  0.1342 -5.1497 3 1562.4116E00  595161404871671 0    861670 0      C-13-H3C(O)CH3
  972034.9989  0.1412 -5.4022 3 1458.3182C72  595161404792654 1    782553 1      C-13-H3C(O)CH3
  972034.9989  0.1412 -5.0605 3 1458.3182C72  595161404792654 1    782653 1      C-13-H3C(O)CH3
  972034.9989  0.1412 -5.0605 3 1458.3182C72  595161404792554 1    782553 1      C-13-H3C(O)CH3
  972034.9989  0.1412 -5.4022 3 1458.3182C72  595161404792554 1    782653 1      C-13-H3C(O)CH3
  972035.1674  0.1123 -5.2844 3 1458.3405636  595161404792654 4    782553 4      C-13-H3C(O)CH3
  972035.1674  0.1123 -5.2844 3 1458.3405636  595161404792554 4    782653 4      C-13-H3C(O)CH3
  972035.1674  0.1123 -5.9453 3 1458.3405636  595161404792554 4    782553 4      C-13-H3C(O)CH3
  972035.1674  0.1123 -5.9453 3 1458.3405636  595161404792654 4    782653 4      C-13-H3C(O)CH3
  972035.1688  0.1123 -5.2735 3 1458.3405636  595161404792554 3    782653 3      C-13-H3C(O)CH3
  972035.1688  0.1123 -5.2735 3 1458.3405636  595161404792654 3    782553 3      C-13-H3C(O)CH3
  972038.8890  0.1371 -4.9083 3 1458.2981C72  595161404792554 0    782553 0      C-13-H3C(O)CH3
  972038.8890  0.1371 -4.9083 3 1458.2981C72  595161404792654 0    782653 0      C-13-H3C(O)CH3
  972039.0498  0.1416 -5.2367 3 1458.3203C72  595161404792654 2    782653 2      C-13-H3C(O)CH3
  972039.0498  0.1416 -5.1635 3 1458.3203C72  595161404792654 2    782553 2      C-13-H3C(O)CH3
  972039.0498  0.1416 -5.2367 3 1458.3203C72  595161404792554 2    782553 2      C-13-H3C(O)CH3
  972039.0498  0.1416 -5.1635 3 1458.3203C72  595161404792554 2    782653 2      C-13-H3C(O)CH3
  972039.9954  0.0943 -4.9857 3 1614.5177F12  59516140494 986 0    93 985 0      C-13-H3C(O)CH3
  972039.9954  0.0943 -4.9857 3 1614.5177F12  59516140494 886 0    93 885 0      C-13-H3C(O)CH3
  972044.1726  0.1364 -5.0054 3 1562.4298E00  595161404871771 1    861670 1      C-13-H3C(O)CH3
  972044.1726  0.1364 -5.0054 3 1562.4298E00  595161404871671 1    861770 1      C-13-H3C(O)CH3
  972046.4783  0.1412 -5.0165 3 1562.4304E00  595161404871771 2    861770 2      C-13-H3C(O)CH3
  972046.4783  0.1412 -5.0165 3 1562.4304E00  595161404871671 2    861670 2      C-13-H3C(O)CH3
  972058.7510  0.0088 -4.0936 3  488.2009712  595161404442123 0    432024 0      C-13-H3C(O)CH3
  972061.9218  0.0088 -4.0936 3  488.2009712  595161404442223 0    431924 0      C-13-H3C(O)CH3
  972068.1607  0.1108 -5.3795 3 1562.4486700  595161404871671 3    861670 3      C-13-H3C(O)CH3
  972068.1607  0.1108 -5.9383 3 1562.4486700  595161404871771 3    861670 3      C-13-H3C(O)CH3
  972068.1607  0.1108 -5.3795 3 1562.4486700  595161404871771 3    861770 3      C-13-H3C(O)CH3
  972068.1607  0.1108 -5.9383 3 1562.4486700  595161404871671 3    861770 3      C-13-H3C(O)CH3
  972068.1925  0.1108 -5.2803 3 1562.4486700  595161404871671 4    861770 4      C-13-H3C(O)CH3
  972068.1925  0.1108 -5.2803 3 1562.4486700  595161404871771 4    861670 4      C-13-H3C(O)CH3
  972068.6711  0.1118 -4.9935 3 1614.5028F12  59516140494 986 2    93 985 2      C-13-H3C(O)CH3
  972068.6711  0.1118 -4.9935 3 1614.5028F12  59516140494 886 2    93 885 2      C-13-H3C(O)CH3
  972068.8703  0.1199 -5.1090 3 1614.5030F12  59516140494 986 1    93 985 1      C-13-H3C(O)CH3
  972068.8703  0.1199 -5.5901 3 1614.5030F12  59516140494 986 1    93 885 1      C-13-H3C(O)CH3
  972068.8703  0.1199 -5.1090 3 1614.5030F12  59516140494 886 1    93 885 1      C-13-H3C(O)CH3
  972068.8703  0.1199 -5.5901 3 1614.5030F12  59516140494 886 1    93 985 1      C-13-H3C(O)CH3
  972097.5554  0.0869 -5.5273 3 1614.4881756  59516140494 886 3    93 885 3      C-13-H3C(O)CH3
  972097.5554  0.0869 -5.6564 3 1614.4881756  59516140494 986 3    93 885 3      C-13-H3C(O)CH3
  972097.5554  0.0869 -5.6564 3 1614.4881756  59516140494 886 3    93 985 3      C-13-H3C(O)CH3
  972097.5554  0.0869 -5.5273 3 1614.4881756  59516140494 986 3    93 985 3      C-13-H3C(O)CH3
  972097.5875  0.0869 -5.2878 3 1614.4880756  59516140494 886 4    93 985 4      C-13-H3C(O)CH3
  972097.5875  0.0869 -5.2878 3 1614.4880756  59516140494 986 4    93 885 4      C-13-H3C(O)CH3
  972136.4142  0.0120 -4.0933 3  488.1751712  595161404442123 2    432024 2      C-13-H3C(O)CH3
  972139.8371  0.0120 -4.0933 3  488.1751712  595161404442223 2    431924 2      C-13-H3C(O)CH3
  972142.5295  0.0208 -5.0140 3  396.2291616  595161404382810 2    372512 2      C-13-H3C(O)CH3
  972147.6905  0.0093 -4.0933 3  488.1772712  595161404442123 1    432024 1      C-13-H3C(O)CH3
  972151.0147  0.0093 -4.0933 3  488.1772712  595161404442223 1    431924 1      C-13-H3C(O)CH3
  972178.8551  0.1033 -5.8949 3  807.5170872  595161404543718 1    533617 1      C-13-H3C(O)CH3
  972205.4879  0.0105 -5.6512 3  302.7983632  59516140439 931 2    38 732 2      C-13-H3C(O)CH3
  972205.4879  0.0105 -5.6512 3  302.7983632  59516140439 831 2    38 632 2      C-13-H3C(O)CH3
  972205.4879  0.0105 -4.5547 3  302.7983632  59516140439 931 2    38 632 2      C-13-H3C(O)CH3
  972205.4879  0.0105 -4.5547 3  302.7983632  59516140439 831 2    38 732 2      C-13-H3C(O)CH3
  972209.8731  0.0111 -4.5253 3  302.7989632  59516140439 831 1    38 732 1      C-13-H3C(O)CH3
  972209.8731  0.0111 -4.5253 3  302.7989632  59516140439 931 1    38 632 1      C-13-H3C(O)CH3
  972225.5346  0.0131 -4.3940 3  488.1513356  595161404442123 3    432024 3      C-13-H3C(O)CH3
  972225.6339  0.0132 -4.3940 3  488.1513356  595161404442123 4    432024 4      C-13-H3C(O)CH3
  972229.1247  0.0131 -4.3940 3  488.1513356  595161404442223 3    431924 3      C-13-H3C(O)CH3
  972229.2095  0.0131 -4.3940 3  488.1513356  595161404442223 4    431924 4      C-13-H3C(O)CH3
  972230.0793  0.0220 -5.2857 3  396.2100308  595161404382810 4    372512 4      C-13-H3C(O)CH3
  972381.6707  0.0149 -4.6846 3  449.7587664  595161404412714 0    402417 0      C-13-H3C(O)CH3
  972386.9590  0.1120 -5.0966 3 1202.4926540  595161404673730 3    663829 3      C-13-H3C(O)CH3
  972388.1976  0.1095 -5.0966 3 1202.4926540  595161404673730 4    663829 4      C-13-H3C(O)CH3
  972398.3090  0.0985 -4.7953 3 1202.4795A80  595161404673730 1    663829 1      C-13-H3C(O)CH3
  972407.3219  0.0212 -4.9038 3  422.0225648  595161404402515 2    392218 2      C-13-H3C(O)CH3
  972408.8562  0.0163 -4.9067 3  422.0503648  595161404402515 0    392218 0      C-13-H3C(O)CH3
  972417.1518  1.6903 -5.7892 3 1451.9073B76  595161404734429 0    724528 0      C-13-H3C(O)CH3
  972436.2938  0.1196 -4.7951 3 1202.4827A80  595161404673730 2    663829 2      C-13-H3C(O)CH3
  972445.3903  0.0973 -4.7948 3 1202.4697A80  595161404673730 0    663829 0      C-13-H3C(O)CH3
  972521.9984  0.0243 -5.2034 3  421.9999324  595161404402515 3    392218 3      C-13-H3C(O)CH3
  972531.4148  0.0172 -4.9056 3  422.0278648  595161404402515 1    392218 1      C-13-H3C(O)CH3
  972539.6588  0.0220 -5.2038 3  421.9999324  595161404402515 4    392218 4      C-13-H3C(O)CH3
  972547.8683  0.0194 -5.1282 3  396.1815616  595161404382811 1    372513 1      C-13-H3C(O)CH3
  972548.6611  0.0101 -4.5465 3  302.8053632  59516140439 931 0    38 632 0      C-13-H3C(O)CH3
  972548.6611  0.0101 -5.7636 3  302.8053632  59516140439 931 0    38 732 0      C-13-H3C(O)CH3
  972548.6611  0.0101 -5.7636 3  302.8053632  59516140439 831 0    38 632 0      C-13-H3C(O)CH3
  972548.6611  0.0101 -4.5465 3  302.8053632  59516140439 831 0    38 732 0      C-13-H3C(O)CH3
  972601.7810  0.0168 -4.6912 3  449.7389664  595161404412714 1    402417 1      C-13-H3C(O)CH3
  972601.9977  0.0232 -5.2880 3  396.1599308  595161404382811 4    372513 4      C-13-H3C(O)CH3
  972768.9562  0.0221 -4.1511 3  585.5142760  595161404472820 0    462521 0      C-13-H3C(O)CH3
  972797.3089  0.0137 -3.8879 3  807.4764872  595161404543718 0    533617 0      C-13-H3C(O)CH3
  972804.1038  0.0214 -5.5327 3  261.1510308  59516140438 633 4    37 334 4      C-13-H3C(O)CH3
  972804.1038  0.0214 -5.4195 3  261.1510308  59516140438 533 4    37 334 4      C-13-H3C(O)CH3
  972804.1038  0.0214 -5.5327 3  261.1510308  59516140438 533 4    37 434 4      C-13-H3C(O)CH3
  972804.1038  0.0214 -5.4195 3  261.1510308  59516140438 633 4    37 434 4      C-13-H3C(O)CH3
  972804.3851  0.0197 -5.1796 3  261.1510308  59516140438 633 3    37 434 3      C-13-H3C(O)CH3
  972804.3851  0.0197 -5.1796 3  261.1510308  59516140438 533 3    37 334 3      C-13-H3C(O)CH3
  972812.7114  0.0197 -5.0157 3  396.1846616  595161404382811 2    372513 2      C-13-H3C(O)CH3
  972813.1526  0.0148 -3.9758 3  784.8192420  595161404524111 4    514011 4      C-13-H3C(O)CH3
  972818.3003  0.0111 -3.6747 3  784.7909840  595161404524112 2    514011 2      C-13-H3C(O)CH3
  972827.2628  0.0173 -4.9168 3  396.2038616  595161404382810 0    372513 0      C-13-H3C(O)CH3
  972867.8672  0.0088 -3.6745 3  784.7876840 -595161404524111 1    514011 1      C-13-H3C(O)CH3
  972872.6644  0.0071 -3.6744 3  784.7593840 -595161404524112 0    514011 0      C-13-H3C(O)CH3
  972872.6644  0.0071 -3.6744 3  784.7593840 -595161404524111 0    514012 0      C-13-H3C(O)CH3
  972899.4856  0.1487 -5.0568 3  807.5426436  595161404543718 3    533617 3      C-13-H3C(O)CH3
  972906.7922  0.0137 -3.8907 3  807.5292872 -595161404543717 2    533617 2      C-13-H3C(O)CH3
  972916.9439  0.0231 -5.3627 3  396.1650308  595161404382811 3    372513 3      C-13-H3C(O)CH3
  972923.9130  0.0218 -4.1512 3  585.4979760  595161404472820 1    462521 1      C-13-H3C(O)CH3
  972925.6498  0.0139 -3.8923 3  807.5170872  595161404543717 1    533617 1      C-13-H3C(O)CH3
  972930.7377  0.0145 -3.9758 3  784.8045420  595161404524112 3    514012 3      C-13-H3C(O)CH3
  972952.5875  0.0131 -3.9757 3  784.8163420  595161404524111 3    514011 3      C-13-H3C(O)CH3
  972955.0331  0.0189 -4.1899 3  807.5716436  595161404543717 4    533617 4      C-13-H3C(O)CH3
  972957.6006  0.0094 -3.6745 3  784.7879840  595161404524111 2    514012 2      C-13-H3C(O)CH3
  972960.1012  0.0190 -4.1515 3  585.4933760  595161404472820 2    462521 2      C-13-H3C(O)CH3
  972966.1399  0.0137 -3.8878 3  807.4725872  595161404543717 0    533618 0      C-13-H3C(O)CH3
  972968.9116  0.0233 -4.7073 3  449.7340664  595161404412714 2    402417 2      C-13-H3C(O)CH3
  972975.4138  0.0324 -5.4318 3  434.2672324  595161404402813 4    392514 4      C-13-H3C(O)CH3
  972982.9375  0.1466 -5.4326 3 1475.6851C88  595161404802556 1    792555 1      C-13-H3C(O)CH3
  972982.9375  0.1466 -5.0701 3 1475.6851C88  595161404802456 1    792555 1      C-13-H3C(O)CH3
  972982.9375  0.1466 -5.4326 3 1475.6851C88  595161404802456 1    792455 1      C-13-H3C(O)CH3
  972982.9375  0.1466 -5.0701 3 1475.6851C88  595161404802556 1    792455 1      C-13-H3C(O)CH3
  972984.7869  0.1147 -5.2607 3 1475.7076644  595161404802556 3    792455 3      C-13-H3C(O)CH3
  972984.7869  0.1147 -5.2607 3 1475.7076644  595161404802456 3    792555 3      C-13-H3C(O)CH3
  972984.7888  0.1147 -5.3913 3 1475.7077644  595161404802556 4    792455 4      C-13-H3C(O)CH3
  972984.7888  0.1147 -5.6907 3 1475.7077644  595161404802556 4    792555 4      C-13-H3C(O)CH3
  972984.7888  0.1147 -5.6907 3 1475.7077644  595161404802456 4    792455 4      C-13-H3C(O)CH3
  972984.7888  0.1147 -5.3913 3 1475.7077644  595161404802456 4    792555 4      C-13-H3C(O)CH3
  972985.2615  0.1417 -4.9140 3 1475.6646C88  595161404802556 0    792455 0      C-13-H3C(O)CH3
  972985.2615  0.1417 -4.9411 3 1475.6646C88  595161404802456 0    792555 0      C-13-H3C(O)CH3
  972985.3610  0.0086 -3.6745 3  784.7728840 -595161404524112 1    514012 1      C-13-H3C(O)CH3
  972987.1000  0.1472 -5.5338 3 1475.6871C88  595161404802556 2    792555 2      C-13-H3C(O)CH3
  972987.1000  0.1472 -5.0326 3 1475.6871C88  595161404802556 2    792455 2      C-13-H3C(O)CH3
  972987.1000  0.1472 -5.0326 3 1475.6871C88  595161404802456 2    792555 2      C-13-H3C(O)CH3
  972987.1000  0.1472 -5.5338 3 1475.6871C88  595161404802456 2    792455 2      C-13-H3C(O)CH3
  972995.6398  0.0224 -5.0420 3  434.2869648  595161404402813 1    392514 1      C-13-H3C(O)CH3
  973013.6096  0.0227 -5.3264 3  396.1815616  595161404382810 1    372513 1      C-13-H3C(O)CH3
  973026.6094  0.0190 -4.9900 3  449.7142332  595161404412714 3    402417 3      C-13-H3C(O)CH3
  973050.8673  0.0258 -5.3445 3  354.5106600  595161404372215 2    361918 2      C-13-H3C(O)CH3
  973067.4174  0.0129 -3.8917 3  807.4873872 -595161404543718 1    533618 1      C-13-H3C(O)CH3
  973070.5700  0.0131 -3.9756 3  784.8014420  595161404524112 4    514012 4      C-13-H3C(O)CH3
  973074.0376  0.0135 -4.1090 3  553.1074744  595161404462621 0    452322 0      C-13-H3C(O)CH3
  973081.9609  0.0214 -4.2518 3  807.5426436  595161404543717 3    533617 3      C-13-H3C(O)CH3
  973092.4224  0.0134 -3.8900 3  807.4923872 -595161404543718 2    533618 2      C-13-H3C(O)CH3
  973110.7301  0.0168 -4.4526 3  585.4770380  595161404472820 4    462521 4      C-13-H3C(O)CH3
  973112.3180  0.0385 -5.7587 3  396.1650308  595161404382810 3    372513 3      C-13-H3C(O)CH3
  973122.8622  0.0165 -4.4526 3  585.4770380  595161404472820 3    462521 3      C-13-H3C(O)CH3
  973134.9227  0.1980 -4.7682 3 1170.0094A64  595161404663829 0    653728 0      C-13-H3C(O)CH3
  973142.5685  0.0198 -4.1088 3  553.0864744  595161404462621 2    452322 2      C-13-H3C(O)CH3
  973147.3923  0.0212 -4.2516 3  807.5343436  595161404543718 3    533618 3      C-13-H3C(O)CH3
  973159.4107  0.1287 -5.1870 3 1574.8385E16  595161404881673 0    871572 0      C-13-H3C(O)CH3
  973159.4107  0.1287 -5.4105 3 1574.8385E16  595161404881673 0    871672 0      C-13-H3C(O)CH3
  973159.4107  0.1287 -5.4105 3 1574.8385E16  595161404881573 0    871572 0      C-13-H3C(O)CH3
  973159.4107  0.1287 -5.1870 3 1574.8385E16  595161404881573 0    871672 0      C-13-H3C(O)CH3
  973159.7678  0.0141 -4.1087 3  553.0895744  595161404462621 1    452322 1      C-13-H3C(O)CH3
  973184.3335  0.1287 -5.2065 3 1574.8551E16  595161404881673 1    871572 1      C-13-H3C(O)CH3
  973184.3335  0.1287 -5.3798 3 1574.8551E16  595161404881573 1    871572 1      C-13-H3C(O)CH3
  973184.3335  0.1287 -5.2065 3 1574.8551E16  595161404881573 1    871672 1      C-13-H3C(O)CH3
  973184.3335  0.1287 -5.3798 3 1574.8551E16  595161404881673 1    871672 1      C-13-H3C(O)CH3
  973186.1902  0.1337 -4.9852 3 1574.8554E16  595161404881573 2    871672 2      C-13-H3C(O)CH3
  973186.1902  0.1337 -4.9910 3 1574.8554E16  595161404881673 2    871572 2      C-13-H3C(O)CH3
  973198.3121  0.0199 -4.7873 3  434.3047648  595161404402813 0    392514 0      C-13-H3C(O)CH3
  973209.9465  0.0288 -5.6445 3  354.4867300  595161404372215 3    361918 3      C-13-H3C(O)CH3
  973211.1433  0.1092 -5.3716 3 1574.8720708  595161404881573 3    871572 3      C-13-H3C(O)CH3
  973211.1433  0.1092 -5.3716 3 1574.8720708  595161404881673 3    871672 3      C-13-H3C(O)CH3
  973211.1781  0.1092 -5.3476 3 1574.8721708  595161404881673 4    871572 4      C-13-H3C(O)CH3
  973211.1781  0.1092 -5.3476 3 1574.8721708  595161404881573 4    871672 4      C-13-H3C(O)CH3
  973211.4936  0.0289 -5.6445 3  354.4867300  595161404372215 4    361918 4      C-13-H3C(O)CH3
  973228.3236  0.0212 -4.4096 3  553.0685372  595161404462621 4    452322 4      C-13-H3C(O)CH3
  973229.5375  0.0210 -4.4096 3  553.0686372  595161404462621 3    452322 3      C-13-H3C(O)CH3
  973245.8988  0.0288 -5.0946 3  434.2844648  595161404402813 2    392514 2      C-13-H3C(O)CH3
  973274.4269  0.0193 -4.1887 3  807.5053436  595161404543718 4    533618 4      C-13-H3C(O)CH3
  973285.0480  0.0187 -5.3470 3  354.5390600  595161404372215 0    361918 0      C-13-H3C(O)CH3
  973288.5546  0.0160 -5.3619 3  341.5436584  595161404362413 1    351916 1      C-13-H3C(O)CH3
  973290.9305  0.0954 -4.9919 3 1622.6643F28  59516140495 888 0    94 787 0      C-13-H3C(O)CH3
  973290.9305  0.0954 -4.9919 3 1622.6643F28  59516140495 788 0    94 887 0      C-13-H3C(O)CH3
  973314.1188  0.1186 -5.3675 3 1622.6427F28  59516140495 888 2    94 787 2      C-13-H3C(O)CH3
  973314.1188  0.1186 -5.2254 3 1622.6427F28  59516140495 888 2    94 887 2      C-13-H3C(O)CH3
  973314.1188  0.1186 -5.2254 3 1622.6427F28  59516140495 788 2    94 787 2      C-13-H3C(O)CH3
  973314.1188  0.1186 -5.3675 3 1622.6427F28  59516140495 788 2    94 887 2      C-13-H3C(O)CH3
  973314.2497  0.1260 -5.4755 3 1622.6428F28  59516140495 788 1    94 887 1      C-13-H3C(O)CH3
  973314.2497  0.1260 -5.1614 3 1622.6428F28  59516140495 888 1    94 887 1      C-13-H3C(O)CH3
  973314.2497  0.1260 -5.4755 3 1622.6428F28  59516140495 888 1    94 787 1      C-13-H3C(O)CH3
  973314.2497  0.1260 -5.1614 3 1622.6428F28  59516140495 788 1    94 787 1      C-13-H3C(O)CH3
  973322.8085  0.0303 -5.0318 3  449.7140332  595161404412714 4    402417 4      C-13-H3C(O)CH3
  973327.4349  0.0160 -5.3635 3  341.5648584  595161404362413 0    351916 0      C-13-H3C(O)CH3
  973329.8675  0.1509 -5.0565 3  807.5343436  595161404543717 3    533618 3      C-13-H3C(O)CH3
  973337.4430  0.0834 -5.2918 3 1622.6212764  59516140495 788 3    94 887 3      C-13-H3C(O)CH3
  973337.4430  0.0834 -5.2918 3 1622.6212764  59516140495 888 3    94 787 3      C-13-H3C(O)CH3
  973337.4630  0.0834 -5.2907 3 1622.6212764  59516140495 888 4    94 887 4      C-13-H3C(O)CH3
  973337.4630  0.0834 -5.2907 3 1622.6212764  59516140495 788 4    94 787 4      C-13-H3C(O)CH3
  973357.2643  0.2061 -4.7684 3 1170.0150A64  595161404663829 2    653728 2      C-13-H3C(O)CH3
  973424.4251  0.0181 -4.9887 3  261.1296616  59516140438 633 2    37 334 2      C-13-H3C(O)CH3
  973424.4251  0.0181 -4.9887 3  261.1296616  59516140438 533 2    37 434 2      C-13-H3C(O)CH3
  973424.4251  0.0181 -5.4893 3  261.1296616  59516140438 633 2    37 434 2      C-13-H3C(O)CH3
  973424.4251  0.0181 -5.4893 3  261.1296616  59516140438 533 2    37 334 2      C-13-H3C(O)CH3
  973427.1441  0.0198 -4.8733 3  261.1301616  59516140438 633 1    37 434 1      C-13-H3C(O)CH3
  973427.1441  0.0198 -4.8733 3  261.1301616  59516140438 533 1    37 334 1      C-13-H3C(O)CH3
  973440.4314  0.0209 -5.3461 3  354.5151600  595161404372215 1    361918 1      C-13-H3C(O)CH3
  973445.3810  0.1716 -4.7684 3 1170.0088A64  595161404663829 1    653728 1      C-13-H3C(O)CH3
  973474.5686  0.0378 -5.6098 3  396.1846616  595161404382810 2    372513 2      C-13-H3C(O)CH3
  973537.0833  0.0141 -4.0664 3  795.0650428  595161404533914 4    523814 4      C-13-H3C(O)CH3
  973537.3894  0.0109 -3.7652 3  795.0297856 -595161404533914 2    523814 2      C-13-H3C(O)CH3
  973568.2594  0.0163 -5.6772 3  341.5142292  595161404362413 4    351916 4      C-13-H3C(O)CH3
  973577.5248  0.0103 -3.7651 3  795.0179856  595161404533914 1    523814 1      C-13-H3C(O)CH3
  973577.9668  0.0087 -3.7649 3  794.9825856  595161404533915 0    523814 0      C-13-H3C(O)CH3
  973578.3286  0.0087 -3.7649 3  794.9825856  595161404533914 0    523815 0      C-13-H3C(O)CH3
  973609.1129  0.0186 -5.6706 3  341.5141292  595161404362413 3    351916 3      C-13-H3C(O)CH3
  973613.9290  0.0257 -5.1377 3  434.2869648  595161404402812 1    392514 1      C-13-H3C(O)CH3
  973626.0801  0.0362 -5.3164 3  434.2658324  595161404402813 3    392514 3      C-13-H3C(O)CH3
  973633.1020  0.0162 -5.3750 3  341.5353584  595161404362413 2    351916 2      C-13-H3C(O)CH3
  973671.1957  0.1510 -5.0697 3 1170.0144532  595161404663829 4    653728 4      C-13-H3C(O)CH3
  973672.5121  0.0149 -4.0662 3  795.0482428  595161404533915 3    523815 3      C-13-H3C(O)CH3
  973673.2481  0.1561 -5.0697 3 1170.0143532  595161404663829 3    653728 3      C-13-H3C(O)CH3
  973712.6488  0.0104 -3.7648 3  795.0011856 -595161404533915 1    523815 1      C-13-H3C(O)CH3
  973713.7683  0.0141 -4.0660 3  795.0496428  595161404533914 3    523814 3      C-13-H3C(O)CH3
  973714.0891  0.0108 -3.7648 3  795.0142856 -595161404533915 2    523815 2      C-13-H3C(O)CH3
  973785.2828  0.0105 -4.0942 3  520.6254728 -595161404452322 0    442223 0      C-13-H3C(O)CH3
  973808.0745  0.0268 -3.4894 3  774.5123792  5951614044948 1 1    4847 1 1      C-13-H3C(O)CH3
  973814.2928  0.1084 -5.8938 3  807.4873872  595161404543717 1    533618 1      C-13-H3C(O)CH3
  973814.3088  0.0251 -3.4893 3  774.4449792  5951614044948 2 0    4847 1 0      C-13-H3C(O)CH3
  973814.3088  0.0251 -3.4893 3  774.4449792  5951614044948 1 0    4847 2 0      C-13-H3C(O)CH3
  973849.2390  0.0162 -4.0658 3  795.0327428  595161404533915 4    523815 4      C-13-H3C(O)CH3
  973853.8641  0.0159 -4.0940 3  520.6022728  595161404452322 2    442223 2      C-13-H3C(O)CH3
  973871.8320  0.0107 -4.0939 3  520.6047728  595161404452322 1    442223 1      C-13-H3C(O)CH3
  973872.5138  0.0105 -4.0942 3  520.6253728  595161404452422 0    442123 0      C-13-H3C(O)CH3
  973891.6339  0.0321 -3.7904 3  774.5602396  5951614044948 1 4    4847 1 4      C-13-H3C(O)CH3
  973897.3085  0.0271 -3.4893 3  774.4928792  5951614044948 1 2    4847 1 2      C-13-H3C(O)CH3
  973940.5502  0.0170 -4.3947 3  520.5814364  595161404452322 3    442223 3      C-13-H3C(O)CH3
  973940.8459  0.0172 -4.3947 3  520.5814364  595161404452322 4    442223 4      C-13-H3C(O)CH3
  973946.3040  0.0155 -4.0939 3  520.6020728  595161404452422 2    442123 2      C-13-H3C(O)CH3
  973958.6684  0.0071 -4.1587 3  416.4513680  595161404421626 0    411527 0      C-13-H3C(O)CH3
  973958.6685  0.0071 -4.1587 3  416.4513680  595161404421726 0    411427 0      C-13-H3C(O)CH3
  973962.2108  0.0108 -4.0939 3  520.6045728  595161404452422 1    442123 1      C-13-H3C(O)CH3
  973965.2631  0.1514 -4.9366 3 1492.4953D04  595161404812358 1    802357 1      C-13-H3C(O)CH3
  973965.2631  0.1514 -4.9366 3 1492.4953D04  595161404812458 1    802457 1      C-13-H3C(O)CH3
  973965.7066  0.1457 -4.9407 3 1492.4745D04  595161404812458 0    802357 0      C-13-H3C(O)CH3
  973965.7066  0.1457 -4.9407 3 1492.4745D04  595161404812358 0    802457 0      C-13-H3C(O)CH3
  973969.0409  0.1167 -5.2460 3 1492.5181652  595161404812458 3    802457 3      C-13-H3C(O)CH3
  973969.0409  0.1167 -5.2460 3 1492.5181652  595161404812358 3    802357 3      C-13-H3C(O)CH3
  973969.0462  0.1167 -5.6209 3 1492.5181652  595161404812358 4    802457 4      C-13-H3C(O)CH3
  973969.0462  0.1167 -5.6209 3 1492.5181652  595161404812458 4    802357 4      C-13-H3C(O)CH3
  973969.0462  0.1167 -5.4572 3 1492.5181652  595161404812458 4    802457 4      C-13-H3C(O)CH3
  973969.0462  0.1167 -5.4572 3 1492.5181652  595161404812358 4    802357 4      C-13-H3C(O)CH3
  973969.4715  0.1523 -5.0143 3 1492.4973D04  595161404812458 2    802457 2      C-13-H3C(O)CH3
  973969.4715  0.1523 -5.6796 3 1492.4973D04  595161404812458 2    802357 2      C-13-H3C(O)CH3
  973969.4715  0.1523 -5.0143 3 1492.4973D04  595161404812358 2    802357 2      C-13-H3C(O)CH3
  973969.4715  0.1523 -5.6796 3 1492.4973D04  595161404812358 2    802457 2      C-13-H3C(O)CH3
  973980.2069  0.0089 -4.1585 3  416.4219680  595161404421726 2    411427 2      C-13-H3C(O)CH3
  973980.2069  0.0089 -4.1585 3  416.4219680  595161404421626 2    411527 2      C-13-H3C(O)CH3
  973986.7276  0.0087 -4.1584 3  416.4233680  595161404421626 1    411527 1      C-13-H3C(O)CH3
  973986.7277  0.0087 -4.1584 3  416.4233680  595161404421726 1    411427 1      C-13-H3C(O)CH3
  973998.7008  0.0373 -3.7902 3  774.5067396  5951614044948 2 3    4847 2 3      C-13-H3C(O)CH3
  974004.3967  0.0327 -3.4891 3  774.4394792  5951614044948 2 2    4847 2 2      C-13-H3C(O)CH3
  974008.1438  0.0098 -4.4592 3  416.3939340  595161404421626 4    411527 4      C-13-H3C(O)CH3
  974008.1439  0.0098 -4.4592 3  416.3939340  595161404421726 4    411427 4      C-13-H3C(O)CH3
  974008.3385  0.0098 -4.4593 3  416.3939340  595161404421626 3    411527 3      C-13-H3C(O)CH3
  974008.3386  0.0098 -4.4593 3  416.3939340  595161404421726 3    411427 3      C-13-H3C(O)CH3
  974021.7336  0.0303 -3.4891 3  774.4724792  5951614044948 2 1    4847 2 1      C-13-H3C(O)CH3
  974023.5463  0.0391 -5.4749 3  434.2658324  595161404402812 3    392514 3      C-13-H3C(O)CH3
  974036.3006  0.0166 -4.3946 3  520.5813364  595161404452422 3    442123 3      C-13-H3C(O)CH3
  974036.3504  0.0168 -4.3946 3  520.5812364  595161404452422 4    442123 4      C-13-H3C(O)CH3
  974045.9263  0.0170 -5.0752 3  261.1088616  59516140438 633 0    37 334 0      C-13-H3C(O)CH3
  974045.9263  0.0170 -5.2910 3  261.1088616  59516140438 633 0    37 434 0      C-13-H3C(O)CH3
  974045.9263  0.0170 -5.2910 3  261.1088616  59516140438 533 0    37 334 0      C-13-H3C(O)CH3
  974045.9263  0.0170 -5.0752 3  261.1088616  59516140438 533 0    37 434 0      C-13-H3C(O)CH3
  974105.2431  0.0369 -3.7901 3  774.5202396  5951614044948 1 3    4847 1 3      C-13-H3C(O)CH3
  974211.7192  0.0471 -3.7900 3  774.4668396  5951614044948 2 4    4847 2 4      C-13-H3C(O)CH3
  974230.1096  0.0513 -5.7947 3  218.8318600  59516140437 235 2    36 136 2      C-13-H3C(O)CH3
  974230.1096  0.0513 -5.8241 3  218.8318600  59516140437 335 2    36 036 2      C-13-H3C(O)CH3
  974231.0059  0.0536 -5.9458 3  218.8322600  59516140437 335 1    36 136 1      C-13-H3C(O)CH3
  974231.0059  0.0536 -5.9458 3  218.8322600  59516140437 235 1    36 036 1      C-13-H3C(O)CH3
  974238.3887  0.0325 -5.6304 3  414.8846316  595161404392812 4    382513 4      C-13-H3C(O)CH3
  974247.8192  0.0355 -5.0826 3  434.2844648  595161404402812 2    392514 2      C-13-H3C(O)CH3
  974291.7731  0.0216 -5.6153 3  348.5586284  5951614043529 7 4    3426 9 4      C-13-H3C(O)CH3
  974310.6811  0.1220 -5.4882 3 1586.7309E32  595161404891475 0    881474 0      C-13-H3C(O)CH3
  974310.6811  0.1220 -5.1615 3 1586.7309E32  595161404891475 0    881574 0      C-13-H3C(O)CH3
  974310.6811  0.1220 -5.1615 3 1586.7309E32  595161404891575 0    881474 0      C-13-H3C(O)CH3
  974310.6811  0.1220 -5.4882 3 1586.7309E32  595161404891575 0    881574 0      C-13-H3C(O)CH3
  974338.6877  0.1201 -5.7547 3 1586.7453E32  595161404891475 1    881574 1      C-13-H3C(O)CH3
  974338.6877  0.1201 -5.0765 3 1586.7453E32  595161404891575 1    881574 1      C-13-H3C(O)CH3
  974338.6877  0.1201 -5.0043 3 1586.7453E32  595161404891575 1    881474 1      C-13-H3C(O)CH3
  974340.0855  0.1245 -5.0032 3 1586.7455E32  595161404891475 2    881574 2      C-13-H3C(O)CH3
  974340.0855  0.1245 -5.0032 3 1586.7455E32  595161404891575 2    881474 2      C-13-H3C(O)CH3
  974368.1232  0.1072 -5.3383 3 1586.7600716  595161404891575 3    881474 3      C-13-H3C(O)CH3
  974368.1232  0.1072 -5.3383 3 1586.7600716  595161404891475 3    881574 3      C-13-H3C(O)CH3
  974368.1608  0.1072 -5.7017 3 1586.7600716  595161404891575 4    881474 4      C-13-H3C(O)CH3
  974368.1608  0.1072 -5.7017 3 1586.7600716  595161404891475 4    881574 4      C-13-H3C(O)CH3
  974368.1608  0.1072 -5.5108 3 1586.7600716  595161404891475 4    881474 4      C-13-H3C(O)CH3
  974368.1608  0.1072 -5.5108 3 1586.7600716  595161404891575 4    881574 4      C-13-H3C(O)CH3
  974368.9283  0.0206 -5.6125 3  348.5640284  5951614043529 7 3    3426 8 3      C-13-H3C(O)CH3
  974425.0500  0.0212 -5.1773 3  414.8979632  595161404392812 1    382513 1      C-13-H3C(O)CH3
  974486.5432  0.1881 -4.7513 3  828.2055444  595161404553620 4    543519 4      C-13-H3C(O)CH3
  974506.0551  0.0184 -5.3150 3  348.5823568  5951614043529 7 1    3426 9 1      C-13-H3C(O)CH3
  974558.1455  0.0933 -5.0193 3 1630.2844F44  59516140496 690 0    95 789 0      C-13-H3C(O)CH3
  974558.1455  0.0933 -5.0193 3 1630.2844F44  59516140496 790 0    95 689 0      C-13-H3C(O)CH3
  974571.1692  0.0280 -5.2703 3  414.9022632  595161404392812 2    382513 2      C-13-H3C(O)CH3
  974573.7489  0.1192 -5.3139 3 1630.2565F44  59516140496 690 2    95 689 2      C-13-H3C(O)CH3
  974573.7489  0.1192 -5.2757 3 1630.2565F44  59516140496 790 2    95 689 2      C-13-H3C(O)CH3
  974573.7489  0.1192 -5.3139 3 1630.2565F44  59516140496 790 2    95 789 2      C-13-H3C(O)CH3
  974573.7489  0.1192 -5.2757 3 1630.2565F44  59516140496 690 2    95 789 2      C-13-H3C(O)CH3
  974573.7652  0.1250 -5.1121 3 1630.2565F44  59516140496 790 1    95 689 1      C-13-H3C(O)CH3
  974573.7652  0.1250 -5.6144 3 1630.2565F44  59516140496 690 1    95 689 1      C-13-H3C(O)CH3
  974573.7652  0.1250 -5.6144 3 1630.2565F44  59516140496 790 1    95 789 1      C-13-H3C(O)CH3
  974573.7652  0.1250 -5.1121 3 1630.2565F44  59516140496 690 1    95 789 1      C-13-H3C(O)CH3
  974585.9253  0.0405 -5.3488 3  434.2672324  595161404402812 4    392514 4      C-13-H3C(O)CH3
  974589.3726  0.0780 -5.3263 3 1630.2285772  59516140496 790 3    95 689 3      C-13-H3C(O)CH3
  974589.3726  0.0780 -5.3263 3 1630.2285772  59516140496 690 3    95 789 3      C-13-H3C(O)CH3
  974589.3754  0.0780 -5.3438 3 1630.2285772  59516140496 790 4    95 689 4      C-13-H3C(O)CH3
  974589.3754  0.0780 -5.3438 3 1630.2285772  59516140496 690 4    95 789 4      C-13-H3C(O)CH3
  974665.2105  0.0177 -5.3173 3  348.5958568  5951614043529 7 2    3426 9 2      C-13-H3C(O)CH3
  974700.6360  0.0184 -4.8494 3  414.9168632  595161404392812 0    382513 0      C-13-H3C(O)CH3
  974739.4333  0.0186 -5.3144 3  348.6011568  5951614043529 6 2    3426 8 2      C-13-H3C(O)CH3
  974782.2769  0.0210 -5.6150 3  348.5602284  5951614043529 6 3    3426 9 3      C-13-H3C(O)CH3
  974856.2855  0.0239 -5.6121 3  348.5656284  5951614043529 6 4    3426 8 4      C-13-H3C(O)CH3
  974864.7356  0.0329 -5.4919 3  414.8815316  595161404392812 3    382513 3      C-13-H3C(O)CH3
  974880.9502  0.0182 -5.3178 3  348.6193568  5951614043529 7 0    3426 8 0      C-13-H3C(O)CH3
  974882.0264  0.0182 -5.3178 3  348.6192568  5951614043529 6 0    3426 9 0      C-13-H3C(O)CH3
  974957.2855  0.0220 -5.1223 3  414.8979632  595161404392811 1    382513 1      C-13-H3C(O)CH3
  974975.0846  0.1489 -5.2925 3 1508.7318D20  595161404822260 0    812259 0      C-13-H3C(O)CH3
  974975.0846  0.1489 -5.2925 3 1508.7318D20  595161404822360 0    812359 0      C-13-H3C(O)CH3
  974975.0846  0.1489 -5.2034 3 1508.7318D20  595161404822260 0    812359 0      C-13-H3C(O)CH3
  974975.0846  0.1489 -5.2034 3 1508.7318D20  595161404822360 0    812259 0      C-13-H3C(O)CH3
  974976.8280  0.1553 -4.9725 3 1508.7528D20  595161404822260 1    812359 1      C-13-H3C(O)CH3
  974976.8280  0.1553 -4.9725 3 1508.7528D20  595161404822360 1    812259 1      C-13-H3C(O)CH3
  974981.0115  0.1566 -5.0457 3 1508.7547D20  595161404822360 2    812259 2      C-13-H3C(O)CH3
  974981.0115  0.1566 -5.6276 3 1508.7547D20  595161404822260 2    812259 2      C-13-H3C(O)CH3
  974981.0115  0.1566 -5.0457 3 1508.7547D20  595161404822260 2    812359 2      C-13-H3C(O)CH3
  974981.0115  0.1566 -5.6276 3 1508.7547D20  595161404822360 2    812359 2      C-13-H3C(O)CH3
  974982.7697  0.1183 -5.3015 3 1508.7757660  595161404822260 3    812359 3      C-13-H3C(O)CH3
  974982.7697  0.1183 -5.3015 3 1508.7757660  595161404822360 3    812259 3      C-13-H3C(O)CH3
  974982.7786  0.1183 -5.7848 3 1508.7757660  595161404822360 4    812359 4      C-13-H3C(O)CH3
  974982.7786  0.1183 -5.3939 3 1508.7757660  595161404822360 4    812259 4      C-13-H3C(O)CH3
  974982.7786  0.1183 -5.7848 3 1508.7757660  595161404822260 4    812259 4      C-13-H3C(O)CH3
  974982.7786  0.1183 -5.3939 3 1508.7757660  595161404822260 4    812359 4      C-13-H3C(O)CH3
  974993.6089  0.0191 -5.3146 3  348.5838568  5951614043529 6 1    3426 8 1      C-13-H3C(O)CH3
  974998.1332  0.0190 -5.5724 3  312.2759568  595161404352015 2    341718 2      C-13-H3C(O)CH3
  975070.8967  0.1065 -4.2012 3  828.1733888  595161404553620 2    543519 2      C-13-H3C(O)CH3
  975101.9356  0.3072 -4.7508 3 1137.7443A48  595161404653828 0    643727 0      C-13-H3C(O)CH3
  975133.5798  0.0230 -5.8720 3  312.2531284  595161404352015 3    341718 3      C-13-H3C(O)CH3
  975141.8329  0.0217 -5.8720 3  312.2531284  595161404352015 4    341718 4      C-13-H3C(O)CH3
  975161.0574  0.0313 -5.4114 3  414.8815316  595161404392811 3    382513 3      C-13-H3C(O)CH3
  975175.8731  0.0151 -5.5733 3  312.3024568  595161404352015 0    341718 0      C-13-H3C(O)CH3
  975180.6136  0.0696 -4.1495 3  828.1678888  595161404553620 1    543519 1      C-13-H3C(O)CH3
  975221.0948  0.0228 -5.4676 3  333.1134584  595161404362115 2    351818 2      C-13-H3C(O)CH3
  975253.3467  0.0496 -5.7683 3  218.7640600  59516140437 235 0    36 036 0      C-13-H3C(O)CH3
  975253.3467  0.0496 -5.7683 3  218.7640600  59516140437 335 0    36 136 0      C-13-H3C(O)CH3
  975285.5009  0.0254 -4.0173 3  828.1436888  595161404553620 0    543519 0      C-13-H3C(O)CH3
  975311.3223  0.0181 -5.5722 3  312.2797568  595161404352015 1    341718 1      C-13-H3C(O)CH3
  975379.4616  0.0266 -5.7674 3  333.0898292  595161404362115 3    351818 3      C-13-H3C(O)CH3
  975386.0951  0.0258 -5.7674 3  333.0898292  595161404362115 4    351818 4      C-13-H3C(O)CH3
  975399.5668  0.0272 -5.0562 3  414.9022632  595161404392811 2    382513 2      C-13-H3C(O)CH3
  975435.2796  0.0173 -5.4691 3  333.1411584  595161404362115 0    351818 0      C-13-H3C(O)CH3
  975476.0897  0.1149 -5.8964 3 1598.0904E48  595161404901477 0    891376 0      C-13-H3C(O)CH3
  975476.0897  0.1149 -5.8964 3 1598.0904E48  595161404901377 0    891476 0      C-13-H3C(O)CH3
  975476.0897  0.1149 -5.0627 3 1598.0904E48  595161404901377 0    891376 0      C-13-H3C(O)CH3
  975476.0897  0.1149 -5.0627 3 1598.0904E48  595161404901477 0    891476 0      C-13-H3C(O)CH3
  975506.8120  0.1118 -5.4758 3 1598.1021E48  595161404901477 1    891476 1      C-13-H3C(O)CH3
  975506.8120  0.1118 -5.3503 3 1598.1021E48  595161404901377 1    891376 1      C-13-H3C(O)CH3
  975506.8120  0.1118 -5.1817 3 1598.1021E48  595161404901377 1    891476 1      C-13-H3C(O)CH3
  975506.8120  0.1118 -5.2628 3 1598.1021E48  595161404901477 1    891376 1      C-13-H3C(O)CH3
  975507.7656  0.1148 -5.0487 3 1598.1021E48  595161404901377 2    891376 2      C-13-H3C(O)CH3
  975507.7656  0.1148 -5.0487 3 1598.1021E48  595161404901477 2    891476 2      C-13-H3C(O)CH3
  975520.7805  0.3490 -4.7510 3 1137.7428A48  595161404653828 2    643727 2      C-13-H3C(O)CH3
  975538.5187  0.1050 -5.3116 3 1598.1138724  595161404901377 3    891376 3      C-13-H3C(O)CH3
  975538.5187  0.1050 -5.3116 3 1598.1138724  595161404901477 3    891476 3      C-13-H3C(O)CH3
  975538.5587  0.1050 -5.4061 3 1598.1138724  595161404901377 4    891376 4      C-13-H3C(O)CH3
  975538.5587  0.1050 -5.4061 3 1598.1138724  595161404901477 4    891476 4      C-13-H3C(O)CH3
  975592.3151  0.0203 -5.4682 3  333.1175584  595161404362115 1    351818 1      C-13-H3C(O)CH3
  975600.0727  0.0297 -5.3221 3  414.8846316  595161404392811 4    382513 4      C-13-H3C(O)CH3
  975658.0628  0.2700 -4.7510 3 1137.7356A48  595161404653828 1    643727 1      C-13-H3C(O)CH3
  975697.9674  0.0337 -4.3248 3  828.1878444  595161404553620 3    543519 3      C-13-H3C(O)CH3
  975787.2343  0.0137 -3.5374 3  778.8462808  5951614045046 4 0    4945 5 0      C-13-H3C(O)CH3
  975787.2343  0.0137 -3.5374 3  778.8462808  5951614045046 5 0    4945 4 0      C-13-H3C(O)CH3
  975804.3369  0.0145 -3.5375 3  778.8929808  5951614045046 4 1    4945 4 1      C-13-H3C(O)CH3
  975821.9440  0.0150 -3.5374 3  778.8701808  5951614045046 4 2    4945 4 2      C-13-H3C(O)CH3
  975839.4506  0.0197 -3.8385 3  778.9167404  5951614045046 4 4    4945 4 4      C-13-H3C(O)CH3
  975841.6802  0.0854 -4.9969 3 1637.3778F60  59516140497 592 0    96 691 0      C-13-H3C(O)CH3
  975841.6802  0.0854 -4.9969 3 1637.3778F60  59516140497 692 0    96 591 0      C-13-H3C(O)CH3
  975847.6719  0.1136 -5.0111 3 1637.3448F60  59516140497 592 1    96 591 1      C-13-H3C(O)CH3
  975847.6719  0.1136 -5.0111 3 1637.3448F60  59516140497 692 1    96 691 1      C-13-H3C(O)CH3
  975847.7589  0.1100 -5.6333 3 1637.3448F60  59516140497 692 2    96 691 2      C-13-H3C(O)CH3
  975847.7589  0.1100 -5.1101 3 1637.3448F60  59516140497 692 2    96 591 2      C-13-H3C(O)CH3
  975847.7589  0.1100 -5.6333 3 1637.3448F60  59516140497 592 2    96 591 2      C-13-H3C(O)CH3
  975847.7589  0.1100 -5.1101 3 1637.3448F60  59516140497 592 2    96 691 2      C-13-H3C(O)CH3
  975853.7404  0.0699 -5.6695 3 1637.3117780  59516140497 592 4    96 691 4      C-13-H3C(O)CH3
  975853.7404  0.0699 -5.5370 3 1637.3117780  59516140497 692 4    96 691 4      C-13-H3C(O)CH3
  975853.7404  0.0699 -5.5370 3 1637.3117780  59516140497 592 4    96 591 4      C-13-H3C(O)CH3
  975853.7404  0.0699 -5.6695 3 1637.3117780  59516140497 692 4    96 591 4      C-13-H3C(O)CH3
  975853.7581  0.0699 -5.3985 3 1637.3118780  59516140497 592 3    96 691 3      C-13-H3C(O)CH3
  975853.7581  0.0699 -5.7934 3 1637.3118780  59516140497 692 3    96 691 3      C-13-H3C(O)CH3
  975853.7581  0.0699 -5.4640 3 1637.3118780  59516140497 692 3    96 591 3      C-13-H3C(O)CH3
  975895.8852  0.0164 -3.5374 3  778.8426808  5951614045046 5 2    4945 5 2      C-13-H3C(O)CH3
  975912.8434  0.0212 -3.8384 3  778.8892404  5951614045046 4 3    4945 4 3      C-13-H3C(O)CH3
  975953.8635  0.0158 -3.5373 3  778.8576808  5951614045046 5 1    4945 5 1      C-13-H3C(O)CH3
  975987.5295  0.0235 -5.7897 3  321.8378536  5951614043330 4 2    3227 5 2      C-13-H3C(O)CH3
  975988.3540  0.0213 -3.8383 3  778.8814404  5951614045046 5 3    4945 5 3      C-13-H3C(O)CH3
  976009.4481  0.1513 -5.0049 3 1524.4399D36  595161404832162 0    822261 0      C-13-H3C(O)CH3
  976009.4481  0.1513 -5.0049 3 1524.4399D36  595161404832262 0    822161 0      C-13-H3C(O)CH3
  976009.4481  0.1513 -5.9630 3 1524.4399D36  595161404832262 0    822261 0      C-13-H3C(O)CH3
  976009.4481  0.1513 -5.9630 3 1524.4399D36  595161404832162 0    822161 0      C-13-H3C(O)CH3
  976013.6746  0.1582 -5.9515 3 1524.4611D36  595161404832262 1    822161 1      C-13-H3C(O)CH3
  976013.6746  0.1582 -5.0062 3 1524.4611D36  595161404832262 1    822261 1      C-13-H3C(O)CH3
  976013.6746  0.1582 -5.0062 3 1524.4611D36  595161404832162 1    822161 1      C-13-H3C(O)CH3
  976013.6746  0.1582 -5.9515 3 1524.4611D36  595161404832162 1    822261 1      C-13-H3C(O)CH3
  976017.7590  0.1601 -5.7621 3 1524.4628D36  595161404832262 2    822161 2      C-13-H3C(O)CH3
  976017.7590  0.1601 -5.7621 3 1524.4628D36  595161404832162 2    822261 2      C-13-H3C(O)CH3
  976017.7590  0.1601 -5.0340 3 1524.4628D36  595161404832162 2    822161 2      C-13-H3C(O)CH3
  976017.7590  0.1601 -5.0340 3 1524.4628D36  595161404832262 2    822261 2      C-13-H3C(O)CH3
  976022.0025  0.1195 -5.3476 3 1524.4839668  595161404832262 3    822161 3      C-13-H3C(O)CH3
  976022.0025  0.1195 -5.3476 3 1524.4839668  595161404832162 3    822261 3      C-13-H3C(O)CH3
  976022.0149  0.1195 -5.2924 3 1524.4840668  595161404832262 4    822161 4      C-13-H3C(O)CH3
  976022.0149  0.1195 -5.2924 3 1524.4840668  595161404832162 4    822261 4      C-13-H3C(O)CH3
  976061.9003  0.0246 -3.8382 3  778.8539404  5951614045046 5 4    4945 5 4      C-13-H3C(O)CH3
  976073.5276  0.0251 -5.7876 3  321.8191536  5951614043330 4 1    3227 6 1      C-13-H3C(O)CH3
  976081.0821  0.2751 -5.0522 3 1137.7340524  595161404653828 4    643727 4      C-13-H3C(O)CH3
  976085.4923  0.2831 -5.0522 3 1137.7339524  595161404653828 3    643727 3      C-13-H3C(O)CH3
  976373.4102  0.0241 -5.7867 3  321.8334536  5951614043330 3 2    3227 6 2      C-13-H3C(O)CH3
  976424.1746  0.0897 -5.1223 3 1330.7646580  595161404723339 4    713438 4      C-13-H3C(O)CH3
  976424.1761  0.0897 -5.1223 3 1330.7646580  595161404723439 4    713338 4      C-13-H3C(O)CH3
  976424.1972  0.0897 -5.1223 3 1330.7646580  595161404723339 3    713438 3      C-13-H3C(O)CH3
  976424.1987  0.0897 -5.1223 3 1330.7646580  595161404723439 3    713338 3      C-13-H3C(O)CH3
  976428.0015  0.0972 -4.8213 3 1330.7457B60  595161404723339 1    713438 1      C-13-H3C(O)CH3
  976428.0030  0.0972 -4.8213 3 1330.7457B60  595161404723439 1    713338 1      C-13-H3C(O)CH3
  976429.4327  0.0994 -4.8214 3 1330.7484B60  595161404723339 2    713438 2      C-13-H3C(O)CH3
  976429.4338  0.0994 -4.8214 3 1330.7484B60  595161404723439 2    713338 2      C-13-H3C(O)CH3
  976433.2375  0.0979 -4.8212 3 1330.7295B60  595161404723339 0    713438 0      C-13-H3C(O)CH3
  976433.2386  0.0979 -4.8212 3 1330.7295B60  595161404723439 0    713338 0      C-13-H3C(O)CH3
  976486.6199  0.1256 -4.7902 3 1202.3703A80  595161404673830 0    663729 0      C-13-H3C(O)CH3
  976490.7906  0.0243 -5.7916 3  321.8712536  5951614043330 4 0    3227 5 0      C-13-H3C(O)CH3
  976490.7916  0.0243 -5.7916 3  321.8712536  5951614043330 3 0    3227 6 0      C-13-H3C(O)CH3
  976555.6986  0.0939 -5.1353 3 1352.8911588  595161404733241 4    723340 4      C-13-H3C(O)CH3
  976555.6986  0.0939 -5.1353 3 1352.8911588  595161404733341 4    723240 4      C-13-H3C(O)CH3
  976555.7211  0.0939 -5.1353 3 1352.8910588  595161404733241 3    723340 3      C-13-H3C(O)CH3
  976555.7211  0.0939 -5.1353 3 1352.8910588  595161404733341 3    723240 3      C-13-H3C(O)CH3
  976561.2128  0.1037 -4.8343 3 1352.8716B76  595161404733241 1    723340 1      C-13-H3C(O)CH3
  976561.2129  0.1037 -4.8343 3 1352.8716B76  595161404733341 1    723240 1      C-13-H3C(O)CH3
  976563.1707  0.1056 -4.8345 3 1352.8742B76  595161404733241 2    723340 2      C-13-H3C(O)CH3
  976563.1707  0.1056 -4.8345 3 1352.8742B76  595161404733341 2    723240 2      C-13-H3C(O)CH3
  976568.6611  0.1042 -4.8342 3 1352.8548B76  595161404733241 0    723340 0      C-13-H3C(O)CH3
  976568.6612  0.1042 -4.8342 3 1352.8548B76  595161404733341 0    723240 0      C-13-H3C(O)CH3
  976596.9109  0.1154 -4.7904 3 1202.3804A80  595161404673830 2    663729 2      C-13-H3C(O)CH3
  976620.9147  0.0853 -5.1120 3 1307.9671572  595161404713437 4    703536 4      C-13-H3C(O)CH3
  976620.9351  0.0853 -5.1120 3 1307.9671572  595161404713437 3    703536 3      C-13-H3C(O)CH3
  976620.9819  0.0853 -5.1120 3 1307.9671572  595161404713537 4    703436 4      C-13-H3C(O)CH3
  976621.0027  0.0853 -5.1120 3 1307.9671572  595161404713537 3    703436 3      C-13-H3C(O)CH3
  976621.8023  0.0908 -4.8109 3 1307.9489B44  595161404713437 1    703536 1      C-13-H3C(O)CH3
  976621.8673  0.0908 -4.8109 3 1307.9489B44  595161404713537 1    703436 1      C-13-H3C(O)CH3
  976622.6277  0.0932 -4.8109 3 1307.9517B44  595161404713437 2    703536 2      C-13-H3C(O)CH3
  976622.6831  0.0932 -4.8109 3 1307.9517B44  595161404713537 2    703436 2      C-13-H3C(O)CH3
  976623.5004  0.0918 -4.8108 3 1307.9335B44  595161404713437 0    703536 0      C-13-H3C(O)CH3
  976623.5536  0.0918 -4.8108 3 1307.9335B44  595161404713537 0    703436 0      C-13-H3C(O)CH3
  976645.7415  0.1082 -4.7905 3 1202.3752A80  595161404673830 1    663729 1      C-13-H3C(O)CH3
  976655.6090  0.1081 -5.1103 3 1608.9185E64  595161404911379 0    901378 0      C-13-H3C(O)CH3
  976655.6090  0.1081 -5.1103 3 1608.9185E64  595161404911279 0    901278 0      C-13-H3C(O)CH3
  976655.6090  0.1081 -5.7059 3 1608.9185E64  595161404911279 0    901378 0      C-13-H3C(O)CH3
  976655.6090  0.1081 -5.7059 3 1608.9185E64  595161404911379 0    901278 0      C-13-H3C(O)CH3
  976688.4523  0.1059 -5.7446 3 1608.9267E64  595161404911379 1    901278 1      C-13-H3C(O)CH3
  976688.4523  0.1059 -5.1010 3 1608.9267E64  595161404911279 1    901278 1      C-13-H3C(O)CH3
  976688.4523  0.1059 -5.7446 3 1608.9267E64  595161404911279 1    901378 1      C-13-H3C(O)CH3
  976688.4523  0.1059 -5.1010 3 1608.9267E64  595161404911379 1    901378 1      C-13-H3C(O)CH3
  976689.0033  0.1064 -5.0234 3 1608.9266E64  595161404911279 2    901278 2      C-13-H3C(O)CH3
  976689.0033  0.1064 -5.0234 3 1608.9266E64  595161404911379 2    901378 2      C-13-H3C(O)CH3
  976721.8758  0.1027 -5.4425 3 1608.9348732  595161404911279 3    901278 3      C-13-H3C(O)CH3
  976721.8758  0.1027 -5.9021 3 1608.9348732  595161404911279 3    901378 3      C-13-H3C(O)CH3
  976721.8758  0.1027 -5.9021 3 1608.9348732  595161404911379 3    901278 3      C-13-H3C(O)CH3
  976721.8758  0.1027 -5.4425 3 1608.9348732  595161404911379 3    901378 3      C-13-H3C(O)CH3
  976721.9178  0.1027 -5.7169 3 1608.9348732  595161404911279 4    901278 4      C-13-H3C(O)CH3
  976721.9178  0.1027 -5.7169 3 1608.9348732  595161404911379 4    901378 4      C-13-H3C(O)CH3
  976721.9178  0.1027 -5.5312 3 1608.9348732  595161404911279 4    901378 4      C-13-H3C(O)CH3
  976721.9178  0.1027 -5.5312 3 1608.9348732  595161404911379 4    901278 4      C-13-H3C(O)CH3
  976757.9655  0.0779 -5.0917 3 1202.3854540  595161404673830 4    663729 4      C-13-H3C(O)CH3
  976758.8921  0.0804 -5.0917 3 1202.3853540  595161404673830 3    663729 3      C-13-H3C(O)CH3
  976791.7666  0.0242 -5.7879 3  321.8241536  5951614043330 3 1    3227 5 1      C-13-H3C(O)CH3
  976896.7505  0.0295 -4.5956 3  828.1678888 -595161404553619 1    543519 1      C-13-H3C(O)CH3
  976914.9777  0.0981 -5.1524 3 1374.3770596  595161404743143 4    733242 4      C-13-H3C(O)CH3
  976914.9777  0.0981 -5.1562 3 1374.3770596  595161404743243 4    733142 4      C-13-H3C(O)CH3
  976914.9989  0.0981 -5.1513 3 1374.3769596  595161404743243 3    733142 3      C-13-H3C(O)CH3
  976914.9989  0.0981 -5.1512 3 1374.3769596  595161404743143 3    733242 3      C-13-H3C(O)CH3
  976921.3443  0.1104 -4.8493 3 1374.3571B92  595161404743143 1    733242 1      C-13-H3C(O)CH3
  976921.3443  0.1104 -4.8493 3 1374.3571B92  595161404743243 1    733142 1      C-13-H3C(O)CH3
  976923.7738  0.1119 -4.8500 3 1374.3595B92  595161404743143 2    733242 2      C-13-H3C(O)CH3
  976923.7738  0.1119 -5.3247 3 1374.3595B92  595161404743243 2    733242 2      C-13-H3C(O)CH3
  976923.7738  0.1119 -5.0286 3 1374.3595B92  595161404743243 2    733142 2      C-13-H3C(O)CH3
  976930.1178  0.1105 -4.8568 3 1374.3397B92  595161404743143 0    733242 0      C-13-H3C(O)CH3
  976930.1178  0.1105 -4.8526 3 1374.3397B92  595161404743243 0    733142 0      C-13-H3C(O)CH3
  976934.9144  0.0385 -4.4763 3  828.1733888  595161404553619 2    543519 2      C-13-H3C(O)CH3
  977027.0345  0.1714 -4.3525 3  912.3668936  595161404583623 0    573522 0      C-13-H3C(O)CH3
  977065.7544  0.1526 -4.9782 3 1539.6017D52  595161404842064 0    832163 0      C-13-H3C(O)CH3
  977065.7544  0.1526 -4.9782 3 1539.6017D52  595161404842164 0    832063 0      C-13-H3C(O)CH3
  977072.7455  0.1597 -5.5323 3 1539.6229D52  595161404842164 1    832163 1      C-13-H3C(O)CH3
  977072.7455  0.1597 -5.1145 3 1539.6229D52  595161404842164 1    832063 1      C-13-H3C(O)CH3
  977072.7455  0.1597 -5.0095 3 1539.6229D52  595161404842064 1    832063 1      C-13-H3C(O)CH3
  977076.6546  0.1623 -5.0052 3 1539.6244D52  595161404842164 2    832063 2      C-13-H3C(O)CH3
  977076.6546  0.1623 -4.9960 3 1539.6244D52  595161404842064 2    832063 2      C-13-H3C(O)CH3
  977083.6648  0.1203 -5.2785 3 1539.6456676  595161404842064 3    832063 3      C-13-H3C(O)CH3
  977083.6648  0.1203 -5.2785 3 1539.6456676  595161404842164 3    832163 3      C-13-H3C(O)CH3
  977083.6808  0.1203 -5.6096 3 1539.6457676  595161404842064 4    832163 4      C-13-H3C(O)CH3
  977083.6808  0.1203 -5.5450 3 1539.6457676  595161404842064 4    832063 4      C-13-H3C(O)CH3
  977083.6808  0.1203 -5.5450 3 1539.6457676  595161404842164 4    832163 4      C-13-H3C(O)CH3
  977083.6808  0.1203 -5.6096 3 1539.6457676  595161404842164 4    832063 4      C-13-H3C(O)CH3
  977131.3831  0.0585 -5.3533 3 1643.8730788  59516140498 594 4    97 493 4      C-13-H3C(O)CH3
  977131.3831  0.0585 -5.3533 3 1643.8730788  59516140498 494 4    97 593 4      C-13-H3C(O)CH3
  977131.4186  0.0585 -5.3609 3 1643.8730788  59516140498 494 3    97 493 3      C-13-H3C(O)CH3
  977131.4186  0.0585 -5.3609 3 1643.8730788  59516140498 594 3    97 593 3      C-13-H3C(O)CH3
  977136.1096  0.0904 -5.0065 3 1643.9082F76  59516140498 494 1    97 593 1      C-13-H3C(O)CH3
  977136.1096  0.0904 -5.0065 3 1643.9082F76  59516140498 594 1    97 493 1      C-13-H3C(O)CH3
  977136.2215  0.0896 -5.5101 3 1643.9081F76  59516140498 494 2    97 593 2      C-13-H3C(O)CH3
  977136.2215  0.0896 -5.5101 3 1643.9081F76  59516140498 594 2    97 493 2      C-13-H3C(O)CH3
  977136.2215  0.0896 -5.1579 3 1643.9081F76  59516140498 494 2    97 493 2      C-13-H3C(O)CH3
  977136.2215  0.0896 -5.1579 3 1643.9081F76  59516140498 594 2    97 593 2      C-13-H3C(O)CH3
  977140.9255  0.0703 -5.1520 3 1643.9432F76  59516140498 594 0    97 493 0      C-13-H3C(O)CH3
  977140.9255  0.0703 -5.5239 3 1643.9432F76  59516140498 594 0    97 593 0      C-13-H3C(O)CH3
  977140.9255  0.0703 -5.1520 3 1643.9432F76  59516140498 494 0    97 593 0      C-13-H3C(O)CH3
  977140.9255  0.0703 -5.5239 3 1643.9432F76  59516140498 494 0    97 493 0      C-13-H3C(O)CH3
  977189.3426  0.0438 -4.5157 3  828.2055444  595161404553619 4    543519 4      C-13-H3C(O)CH3
  977308.0328  0.0858 -4.8044 3 1284.4225B28  595161404703535 0    693634 0      C-13-H3C(O)CH3
  977310.1090  0.0859 -4.8044 3 1284.4224B28  595161404703635 0    693534 0      C-13-H3C(O)CH3
  977311.9842  0.0846 -4.8045 3 1284.4367B28  595161404703535 1    693634 1      C-13-H3C(O)CH3
  977312.1316  0.0871 -4.8045 3 1284.4397B28  595161404703535 2    693634 2      C-13-H3C(O)CH3
  977314.2980  0.0870 -4.8045 3 1284.4396B28  595161404703635 2    693534 2      C-13-H3C(O)CH3
  977314.3619  0.0846 -4.8045 3 1284.4366B28  595161404703635 1    693534 1      C-13-H3C(O)CH3
  977316.0850  0.0807 -5.1056 3 1284.4540564  595161404703535 4    693634 4      C-13-H3C(O)CH3
  977316.0961  0.0807 -5.1056 3 1284.4539564  595161404703535 3    693634 3      C-13-H3C(O)CH3
  977318.5579  0.0805 -5.1056 3 1284.4539564  595161404703635 4    693534 4      C-13-H3C(O)CH3
  977318.5754  0.0806 -5.1056 3 1284.4539564  595161404703635 3    693534 3      C-13-H3C(O)CH3
  977438.6912  0.1021 -5.5366 3 1395.2443604  595161404753045 4    743144 4      C-13-H3C(O)CH3
  977438.6912  0.1021 -5.3847 3 1395.2443604  595161404753045 4    743044 4      C-13-H3C(O)CH3
  977438.6912  0.1021 -5.5677 3 1395.2443604  595161404753145 4    743044 4      C-13-H3C(O)CH3
  977438.6912  0.1021 -5.4063 3 1395.2443604  595161404753145 4    743144 4      C-13-H3C(O)CH3
  977438.7104  0.1021 -5.3065 3 1395.2443604  595161404753145 3    743044 3      C-13-H3C(O)CH3
  977438.7104  0.1021 -5.7228 3 1395.2443604  595161404753145 3    743144 3      C-13-H3C(O)CH3
  977438.7104  0.1021 -5.3065 3 1395.2443604  595161404753045 3    743144 3      C-13-H3C(O)CH3
  977438.7104  0.1021 -5.7228 3 1395.2443604  595161404753045 3    743044 3      C-13-H3C(O)CH3
  977445.3056  0.1172 -4.8823 3 1395.2240C08  595161404753045 1    743044 1      C-13-H3C(O)CH3
  977445.3056  0.1172 -5.9192 3 1395.2240C08  595161404753045 1    743144 1      C-13-H3C(O)CH3
  977445.3056  0.1172 -4.9046 3 1395.2240C08  595161404753145 1    743144 1      C-13-H3C(O)CH3
  977448.1614  0.1184 -4.9420 3 1395.2264C08  595161404753045 2    743044 2      C-13-H3C(O)CH3
  977448.1614  0.1184 -5.0809 3 1395.2264C08  595161404753045 2    743144 2      C-13-H3C(O)CH3
  977448.1614  0.1184 -5.2708 3 1395.2264C08  595161404753145 2    743144 2      C-13-H3C(O)CH3
  977448.1614  0.1184 -5.6512 3 1395.2264C08  595161404753145 2    743044 2      C-13-H3C(O)CH3
  977454.7557  0.1169 -4.8997 3 1395.2061C08  595161404753145 0    743144 0      C-13-H3C(O)CH3
  977454.7557  0.1169 -5.9727 3 1395.2061C08  595161404753045 0    743144 0      C-13-H3C(O)CH3
  977454.7557  0.1169 -4.8997 3 1395.2061C08  595161404753045 0    743044 0      C-13-H3C(O)CH3
  977454.7557  0.1169 -5.9727 3 1395.2061C08  595161404753145 0    743044 0      C-13-H3C(O)CH3
  977512.2776  0.0098 -4.6779 3  376.1572332  595161404411428 4    401129 4      C-13-H3C(O)CH3
  977512.2776  0.0098 -5.0904 3  376.1572332  595161404411328 4    401129 4      C-13-H3C(O)CH3
  977512.2776  0.0098 -5.1343 3  376.1572332  595161404411428 4    401229 4      C-13-H3C(O)CH3
  977512.2776  0.0098 -4.6944 3  376.1572332  595161404411328 4    401229 4      C-13-H3C(O)CH3
  977512.6879  0.0096 -4.5485 3  376.1573332  595161404411328 3    401229 3      C-13-H3C(O)CH3
  977512.6879  0.0096 -4.5505 3  376.1573332  595161404411428 3    401129 3      C-13-H3C(O)CH3
  977571.7921  0.0094 -4.2946 3  376.1833664  595161404411428 2    401129 2      C-13-H3C(O)CH3
  977571.7921  0.0094 -5.1972 3  376.1833664  595161404411328 2    401129 2      C-13-H3C(O)CH3
  977571.7921  0.0094 -4.2984 3  376.1833664  595161404411328 2    401229 2      C-13-H3C(O)CH3
  977571.7921  0.0094 -5.2280 3  376.1833664  595161404411428 2    401229 2      C-13-H3C(O)CH3
  977577.5246  0.0095 -4.2491 3  376.1844664  595161404411328 1    401229 1      C-13-H3C(O)CH3
  977577.5246  0.0095 -4.2491 3  376.1844664  595161404411428 1    401129 1      C-13-H3C(O)CH3
  977580.4858  0.0122 -3.5939 3  784.8570824 -5951614045144 7 2    5043 7 2      C-13-H3C(O)CH3
  977590.5615  0.0164 -3.8949 3  784.8890412  5951614045144 7 4    5043 7 4      C-13-H3C(O)CH3
  977599.1481  0.0096 -3.5938 3  784.8391824 -5951614045144 7 0    5043 8 0      C-13-H3C(O)CH3
  977599.1481  0.0096 -3.5938 3  784.8391824 -5951614045144 8 0    5043 7 0      C-13-H3C(O)CH3
  977609.4396  0.0106 -3.5938 3  784.8713824 -5951614045144 7 1    5043 7 1      C-13-H3C(O)CH3
  977636.5580  0.0078 -4.2477 3  376.2104664  595161404411428 0    401129 0      C-13-H3C(O)CH3
  977636.5580  0.0078 -4.2470 3  376.2104664  595161404411328 0    401229 0      C-13-H3C(O)CH3
  977667.0408  0.0115 -3.5939 3  784.8492824 -5951614045144 8 2    5043 8 2      C-13-H3C(O)CH3
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  977707.5412  0.0166 -3.8949 3  784.8644412  5951614045144 8 3    5043 8 3      C-13-H3C(O)CH3
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  977782.2120  0.2105 -4.3505 3  912.3581936  595161404583623 2    573522 2      C-13-H3C(O)CH3
  977794.2967  0.0170 -3.8949 3  784.8567412  5951614045144 8 4    5043 8 4      C-13-H3C(O)CH3
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  977883.5007  0.1044 -5.5566 3 1619.2204E80  595161404921281 1    911180 1      C-13-H3C(O)CH3
  977883.7173  0.1017 -5.4947 3 1619.2202E80  595161404921181 2    911280 2      C-13-H3C(O)CH3
  977883.7173  0.1017 -5.4947 3 1619.2202E80  595161404921281 2    911180 2      C-13-H3C(O)CH3
  977883.7173  0.1017 -5.1975 3 1619.2202E80  595161404921281 2    911280 2      C-13-H3C(O)CH3
  977883.7173  0.1017 -5.1975 3 1619.2202E80  595161404921181 2    911180 2      C-13-H3C(O)CH3
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  977917.8415  0.1005 -5.3241 3 1619.2241740  595161404921181 3    911180 3      C-13-H3C(O)CH3
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  977917.8846  0.1005 -5.3754 3 1619.2241740  595161404921181 4    911180 4      C-13-H3C(O)CH3
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  978094.5379  0.1250 -5.0224 3 1415.4912C24  595161404763047 2    752946 2      C-13-H3C(O)CH3
  978094.5379  0.1250 -5.4366 3 1415.4912C24  595161404763047 2    753046 2      C-13-H3C(O)CH3
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  978155.3308  0.1629 -4.9905 3 1554.2423D68  595161404852066 2    842065 2      C-13-H3C(O)CH3
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  978165.3657  0.1206 -5.3298 3 1554.2633684  595161404851966 3    842065 3      C-13-H3C(O)CH3
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  978165.3851  0.1206 -5.3190 3 1554.2633684  595161404851966 4    842065 4      C-13-H3C(O)CH3
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  978357.7398  0.0127 -5.6673 3  337.5419292  595161404362314 4    351817 4      C-13-H3C(O)CH3
  978367.7717  0.0130 -5.6671 3  337.5419292  595161404362314 3    351817 3      C-13-H3C(O)CH3
  978423.7707  0.0443 -5.5891 3 1649.9150796  59516140499 496 4    98 395 4      C-13-H3C(O)CH3
  978423.7707  0.0443 -5.6139 3 1649.9150796  59516140499 496 4    98 495 4      C-13-H3C(O)CH3
  978423.7707  0.0443 -5.6139 3 1649.9150796  59516140499 396 4    98 395 4      C-13-H3C(O)CH3
  978423.7707  0.0443 -5.5891 3 1649.9150796  59516140499 396 4    98 495 4      C-13-H3C(O)CH3
  978423.8099  0.0443 -5.4318 3 1649.9150796  59516140499 496 3    98 395 3      C-13-H3C(O)CH3
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  978434.0527  0.1619 -4.6512 3  912.3518468  595161404583623 4    573522 4      C-13-H3C(O)CH3
  978438.9665  0.0582 -5.0104 3 1649.9469F92  59516140499 396 1    98 495 1      C-13-H3C(O)CH3
  978438.9665  0.0582 -5.0104 3 1649.9469F92  59516140499 496 1    98 395 1      C-13-H3C(O)CH3
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  978438.9754  0.0608 -4.9994 3 1649.9466F92  59516140499 496 2    98 495 2      C-13-H3C(O)CH3
  978454.1443  0.0491 -5.0007 3 1649.9784F92  59516140499 396 0    98 395 0      C-13-H3C(O)CH3
  978454.1443  0.0491 -5.0007 3 1649.9784F92  59516140499 496 0    98 495 0      C-13-H3C(O)CH3
  978526.5882  0.0228 -5.1752 3  414.7789632  595161404392811 1    382514 1      C-13-H3C(O)CH3
  978545.7230  0.1981 -4.6482 3  912.3503468  595161404583623 3    573522 3      C-13-H3C(O)CH3
  978724.4657  0.0355 -5.4894 3  414.7626316  595161404392811 3    382514 3      C-13-H3C(O)CH3
  978736.9212  0.0410 -4.1004 3  822.7441888  595161404553520 0    543421 0      C-13-H3C(O)CH3
  978779.1084  0.0795 -4.8048 3 1260.1278B12  595161404693633 0    683732 0      C-13-H3C(O)CH3
  978790.5381  0.0783 -4.8050 3 1260.1403B12  595161404693633 1    683732 1      C-13-H3C(O)CH3
  978791.0987  0.0810 -4.8049 3 1260.1436B12  595161404693633 2    683732 2      C-13-H3C(O)CH3
  978800.0493  0.0465 -4.3984 3  822.7723444  595161404553520 3    543421 3      C-13-H3C(O)CH3
  978802.4850  0.0764 -5.1061 3 1260.1562556  595161404693633 3    683732 3      C-13-H3C(O)CH3
  978802.5342  0.0763 -5.1061 3 1260.1562556  595161404693633 4    683732 4      C-13-H3C(O)CH3
  978824.7854  0.1097 -5.2583 3 1435.1852620  595161404772849 4    762848 4      C-13-H3C(O)CH3
  978824.7854  0.1097 -5.2583 3 1435.1852620  595161404772949 4    762948 4      C-13-H3C(O)CH3
  978824.7995  0.1097 -5.1987 3 1435.1851620  595161404772849 3    762948 3      C-13-H3C(O)CH3
  978824.7995  0.1097 -5.1987 3 1435.1851620  595161404772949 3    762848 3      C-13-H3C(O)CH3
  978830.5730  0.1310 -5.0570 3 1435.1640C40  595161404772849 1    762848 1      C-13-H3C(O)CH3
  978830.5730  0.1310 -5.4103 3 1435.1640C40  595161404772849 1    762948 1      C-13-H3C(O)CH3
  978830.5730  0.1310 -5.0570 3 1435.1640C40  595161404772949 1    762948 1      C-13-H3C(O)CH3
  978830.5730  0.1310 -5.4103 3 1435.1640C40  595161404772949 1    762848 1      C-13-H3C(O)CH3
  978834.1513  0.1316 -5.0821 3 1435.1664C40  595161404772849 2    762848 2      C-13-H3C(O)CH3
  978834.1513  0.1316 -5.2795 3 1435.1664C40  595161404772949 2    762848 2      C-13-H3C(O)CH3
  978834.1513  0.1316 -5.1305 3 1435.1664C40  595161404772949 2    762948 2      C-13-H3C(O)CH3
  978834.1513  0.1316 -5.3585 3 1435.1664C40  595161404772849 2    762948 2      C-13-H3C(O)CH3
  978839.9265  0.1293 -4.9057 3 1435.1452C40  595161404772949 0    762948 0      C-13-H3C(O)CH3
  978839.9265  0.1293 -4.9057 3 1435.1452C40  595161404772849 0    762848 0      C-13-H3C(O)CH3
  978842.2453  0.0807 -4.8048 3 1260.1262B12  595161404693733 0    683632 0      C-13-H3C(O)CH3
  978849.7072  0.0451 -4.1059 3  822.7565888  595161404553520 1    543421 1      C-13-H3C(O)CH3
  978856.6818  0.0797 -4.8049 3 1260.1419B12  595161404693733 2    683632 2      C-13-H3C(O)CH3
  978859.6476  0.0785 -4.8049 3 1260.1385B12  595161404693733 1    683632 1      C-13-H3C(O)CH3
  978874.1950  0.0737 -5.1060 3 1260.1544556  595161404693733 4    683632 4      C-13-H3C(O)CH3
  978874.2376  0.0737 -5.1060 3 1260.1543556  595161404693733 3    683632 3      C-13-H3C(O)CH3
  978877.6789  0.0411 -4.1085 3  822.7574888  595161404553520 2    543421 2      C-13-H3C(O)CH3
  979030.9874  0.0346 -5.2670 3  414.7810632  595161404392811 2    382514 2      C-13-H3C(O)CH3
  979056.4201  0.0157 -3.9623 3  792.5873420  595161404524210 4    514110 4      C-13-H3C(O)CH3
  979057.8007  0.1000 -5.0402 3 1628.9856E96  595161404931183 0    921182 0      C-13-H3C(O)CH3
  979057.8007  0.1000 -5.0402 3 1628.9856E96  595161404931083 0    921082 0      C-13-H3C(O)CH3
  979063.9845  0.0119 -3.6612 3  792.5598840  595161404524211 2    514110 2      C-13-H3C(O)CH3
  979091.9491  0.1025 -5.6780 3 1628.9841E96  595161404931183 2    921082 2      C-13-H3C(O)CH3
  979091.9491  0.1025 -5.6780 3 1628.9841E96  595161404931083 2    921182 2      C-13-H3C(O)CH3
  979091.9491  0.1025 -5.1372 3 1628.9841E96  595161404931183 2    921182 2      C-13-H3C(O)CH3
  979091.9491  0.1025 -5.1372 3 1628.9841E96  595161404931083 2    921082 2      C-13-H3C(O)CH3
  979091.9760  0.1085 -5.0722 3 1628.9844E96  595161404931183 1    921182 1      C-13-H3C(O)CH3
  979091.9760  0.1085 -5.0722 3 1628.9844E96  595161404931083 1    921082 1      C-13-H3C(O)CH3
  979111.8033  0.0094 -3.6611 3  792.5611840 -595161404524210 1    514110 1      C-13-H3C(O)CH3
  979118.9397  0.0078 -3.6610 3  792.5335840 -595161404524211 0    514110 0      C-13-H3C(O)CH3
  979118.9397  0.0078 -3.6610 3  792.5335840 -595161404524210 0    514111 0      C-13-H3C(O)CH3
  979126.1457  0.0983 -5.8619 3 1628.9829748  595161404931183 3    921082 3      C-13-H3C(O)CH3
  979126.1457  0.0983 -5.4787 3 1628.9829748  595161404931183 3    921182 3      C-13-H3C(O)CH3
  979126.1457  0.0983 -5.8619 3 1628.9829748  595161404931083 3    921182 3      C-13-H3C(O)CH3
  979126.1457  0.0983 -5.4787 3 1628.9829748  595161404931083 3    921082 3      C-13-H3C(O)CH3
  979126.1884  0.0983 -5.4133 3 1628.9829748  595161404931083 4    921182 4      C-13-H3C(O)CH3
  979126.1884  0.0983 -5.4133 3 1628.9829748  595161404931183 4    921082 4      C-13-H3C(O)CH3
  979172.3228  0.0155 -3.9623 3  792.5722420  595161404524211 3    514111 3      C-13-H3C(O)CH3
  979181.6867  0.0142 -3.9622 3  792.5869420  595161404524210 3    514110 3      C-13-H3C(O)CH3
  979187.3195  0.0765 -4.4316 3  822.7675444  595161404553520 4    543421 4      C-13-H3C(O)CH3
  979189.2672  0.0100 -3.6611 3  792.5592840  595161404524210 2    514111 2      C-13-H3C(O)CH3
  979227.7431  0.0089 -3.6610 3  792.5459840 -595161404524211 1    514111 1      C-13-H3C(O)CH3
  979235.3674  0.1514 -5.0173 3 1568.2968D84  595161404861968 0    851867 0      C-13-H3C(O)CH3
  979235.3674  0.1514 -5.0099 3 1568.2968D84  595161404861868 0    851967 0      C-13-H3C(O)CH3
  979248.6243  0.1576 -5.1950 3 1568.3174D84  595161404861868 1    851967 1      C-13-H3C(O)CH3
  979248.6243  0.1576 -5.4445 3 1568.3174D84  595161404861868 1    851867 1      C-13-H3C(O)CH3
  979248.6243  0.1576 -5.1950 3 1568.3174D84  595161404861968 1    851867 1      C-13-H3C(O)CH3
  979248.6243  0.1576 -5.4445 3 1568.3174D84  595161404861968 1    851967 1      C-13-H3C(O)CH3
  979251.9599  0.1617 -5.1456 3 1568.3186D84  595161404861968 2    851967 2      C-13-H3C(O)CH3
  979251.9599  0.1617 -5.5490 3 1568.3186D84  595161404861968 2    851867 2      C-13-H3C(O)CH3
  979251.9599  0.1617 -5.1456 3 1568.3186D84  595161404861868 2    851867 2      C-13-H3C(O)CH3
  979251.9599  0.1617 -5.5490 3 1568.3186D84  595161404861868 2    851967 2      C-13-H3C(O)CH3
  979265.2406  0.1204 -5.3659 3 1568.3392692  595161404861968 3    851967 3      C-13-H3C(O)CH3
  979265.2406  0.1204 -5.3659 3 1568.3392692  595161404861868 3    851867 3      C-13-H3C(O)CH3
  979265.2635  0.1204 -5.5990 3 1568.3392692  595161404861968 4    851867 4      C-13-H3C(O)CH3
  979265.2635  0.1204 -5.5990 3 1568.3392692  595161404861868 4    851967 4      C-13-H3C(O)CH3
  979265.2635  0.1204 -5.6073 3 1568.3392692  595161404861968 4    851967 4      C-13-H3C(O)CH3
  979265.2635  0.1204 -5.6073 3 1568.3392692  595161404861868 4    851867 4      C-13-H3C(O)CH3
  979298.1268  0.0139 -3.9622 3  792.5716420  595161404524211 4    514111 4      C-13-H3C(O)CH3
  979355.4431  0.0420 -5.6264 3  414.7594316  595161404392811 4    382514 4      C-13-H3C(O)CH3
  979427.3412  0.0236 -4.0143 3  828.0510888  595161404553619 0    543520 0      C-13-H3C(O)CH3
  979542.8388  0.0076 -4.1279 3  448.9390696  595161404431825 0    421726 0      C-13-H3C(O)CH3
  979542.8440  0.0076 -4.1279 3  448.9390696  595161404431925 0    421626 0      C-13-H3C(O)CH3
  979602.0408  0.0096 -4.1277 3  448.9104696  595161404431825 2    421726 2      C-13-H3C(O)CH3
  979602.0466  0.0096 -4.1277 3  448.9104696  595161404431925 2    421626 2      C-13-H3C(O)CH3
  979609.0657  0.0087 -4.1276 3  448.9120696  595161404431825 1    421726 1      C-13-H3C(O)CH3
  979609.0713  0.0087 -4.1276 3  448.9120696  595161404431925 1    421626 1      C-13-H3C(O)CH3
  979637.9159  0.1131 -5.2158 3 1454.2811628  595161404782851 4    772750 4      C-13-H3C(O)CH3
  979637.9159  0.1131 -5.2158 3 1454.2811628  595161404782751 4    772850 4      C-13-H3C(O)CH3
  979637.9271  0.1131 -5.3037 3 1454.2811628  595161404782851 3    772750 3      C-13-H3C(O)CH3
  979637.9271  0.1131 -5.9516 3 1454.2811628  595161404782851 3    772850 3      C-13-H3C(O)CH3
  979637.9271  0.1131 -5.9516 3 1454.2811628  595161404782751 3    772750 3      C-13-H3C(O)CH3
  979637.9271  0.1131 -5.3037 3 1454.2811628  595161404782751 3    772850 3      C-13-H3C(O)CH3
  979642.7667  0.1378 -5.1843 3 1454.2595C56  595161404782851 1    772750 1      C-13-H3C(O)CH3
  979642.7667  0.1378 -5.2492 3 1454.2595C56  595161404782851 1    772850 1      C-13-H3C(O)CH3
  979642.7667  0.1378 -5.2492 3 1454.2595C56  595161404782751 1    772750 1      C-13-H3C(O)CH3
  979642.7667  0.1378 -5.1843 3 1454.2595C56  595161404782751 1    772850 1      C-13-H3C(O)CH3
  979646.6371  0.1381 -4.9247 3 1454.2619C56  595161404782751 2    772850 2      C-13-H3C(O)CH3
  979646.6371  0.1381 -4.9247 3 1454.2619C56  595161404782851 2    772750 2      C-13-H3C(O)CH3
  979651.4800  0.1352 -4.9379 3 1454.2404C56  595161404782851 0    772750 0      C-13-H3C(O)CH3
  979651.4800  0.1352 -4.9344 3 1454.2404C56  595161404782751 0    772850 0      C-13-H3C(O)CH3
  979668.3433  0.0107 -4.4284 3  448.8833348  595161404431825 4    421726 4      C-13-H3C(O)CH3
  979668.3496  0.0107 -4.4284 3  448.8833348  595161404431925 4    421626 4      C-13-H3C(O)CH3
  979668.4031  0.0107 -4.4284 3  448.8833348  595161404431825 3    421726 3      C-13-H3C(O)CH3
  979668.4095  0.0107 -4.4284 3  448.8833348  595161404431925 3    421626 3      C-13-H3C(O)CH3
  979719.0527  0.0362 -4.3219 3  828.0982444  595161404553619 3    543520 3      C-13-H3C(O)CH3
  979729.9280  0.0358 -3.4886 3  784.1383792  5951614044949 0 1    4848 0 1      C-13-H3C(O)CH3
  979733.3585  0.0305 -5.6697 3 1655.4414804  595161404A0 298 4    99 297 4      C-13-H3C(O)CH3
  979733.3585  0.0305 -5.5427 3 1655.4414804  595161404A0 298 4    99 397 4      C-13-H3C(O)CH3
  979733.3585  0.0305 -5.6697 3 1655.4414804  595161404A0 398 4    99 397 4      C-13-H3C(O)CH3
  979733.3585  0.0305 -5.5427 3 1655.4414804  595161404A0 398 4    99 297 4      C-13-H3C(O)CH3
  979733.3742  0.0305 -5.3095 3 1655.4414804  595161404A0 398 3    99 297 3      C-13-H3C(O)CH3
  979733.3742  0.0305 -5.3095 3 1655.4414804  595161404A0 298 3    99 397 3      C-13-H3C(O)CH3
  979748.3421  0.0112 -4.7009 3  335.2099324  595161404401030 4    39 931 4      C-13-H3C(O)CH3
  979748.3421  0.0112 -4.7009 3  335.2099324  595161404401130 4    39 831 4      C-13-H3C(O)CH3
  979748.9400  0.0106 -5.6534 3  335.2099324  595161404401130 3    39 931 3      C-13-H3C(O)CH3
  979748.9400  0.0106 -4.7381 3  335.2099324  595161404401030 3    39 931 3      C-13-H3C(O)CH3
  979748.9400  0.0106 -5.6534 3  335.2099324  595161404401030 3    39 831 3      C-13-H3C(O)CH3
  979748.9400  0.0106 -4.7381 3  335.2099324  595161404401130 3    39 831 3      C-13-H3C(O)CH3
  979755.4721  0.0374 -5.2727 3 1655.4600G08  595161404A0 298 2    99 397 2      C-13-H3C(O)CH3
  979755.4721  0.0374 -5.3304 3 1655.4600G08  595161404A0 298 2    99 297 2      C-13-H3C(O)CH3
  979755.4721  0.0374 -5.3304 3 1655.4600G08  595161404A0 398 2    99 397 2      C-13-H3C(O)CH3
  979755.4721  0.0374 -5.2727 3 1655.4600G08  595161404A0 398 2    99 297 2      C-13-H3C(O)CH3
  979755.6709  0.0304 -5.3449 3 1655.4605G08  595161404A0 398 1    99 297 1      C-13-H3C(O)CH3
  979755.6709  0.0304 -5.2604 3 1655.4605G08  595161404A0 298 1    99 297 1      C-13-H3C(O)CH3
  979755.6709  0.0304 -5.2604 3 1655.4605G08  595161404A0 398 1    99 397 1      C-13-H3C(O)CH3
  979755.6709  0.0304 -5.3449 3 1655.4605G08  595161404A0 298 1    99 397 1      C-13-H3C(O)CH3
  979763.6612  0.0340 -3.4884 3  784.0639792  5951614044949 0 0    4848 1 0      C-13-H3C(O)CH3
  979763.6612  0.0340 -3.4884 3  784.0639792  5951614044949 1 0    4848 0 0      C-13-H3C(O)CH3
  979777.7609  0.0284 -5.0313 3 1655.4791G08  595161404A0 398 0    99 397 0      C-13-H3C(O)CH3
  979777.7609  0.0284 -5.0313 3 1655.4791G08  595161404A0 298 0    99 297 0      C-13-H3C(O)CH3
  979815.6602  0.0407 -3.7897 3  784.1993396  5951614044949 0 4    4848 0 4      C-13-H3C(O)CH3
  979849.0085  0.0359 -3.4885 3  784.1248792  5951614044949 0 2    4848 0 2      C-13-H3C(O)CH3
  979867.6022  0.0789 -4.1462 3  828.0687888  595161404553619 1    543520 1      C-13-H3C(O)CH3
  979950.7337  0.0102 -4.6692 3  335.2276648  595161404401130 2    39 831 2      C-13-H3C(O)CH3
  979950.7337  0.0102 -4.7078 3  335.2276648  595161404401130 2    39 931 2      C-13-H3C(O)CH3
  979950.7337  0.0102 -4.6692 3  335.2276648  595161404401030 2    39 931 2      C-13-H3C(O)CH3
  979950.7337  0.0102 -4.7078 3  335.2276648  595161404401030 2    39 831 2      C-13-H3C(O)CH3
  979953.3434  0.0484 -3.7894 3  784.1389396  5951614044949 1 3    4848 1 3      C-13-H3C(O)CH3
  979955.7259  0.0105 -4.3912 3  335.2283648  595161404401130 1    39 931 1      C-13-H3C(O)CH3
  979955.7259  0.0105 -4.3912 3  335.2283648  595161404401030 1    39 831 1      C-13-H3C(O)CH3
  979974.6652  0.0417 -3.4883 3  784.1020792  5951614044949 1 1    4848 1 1      C-13-H3C(O)CH3
  979986.3714  0.0456 -3.4882 3  784.0645792  5951614044949 1 2    4848 1 2      C-13-H3C(O)CH3
  980011.9431  0.1210 -4.1978 3  828.0706888  595161404553619 2    543520 2      C-13-H3C(O)CH3
  980044.7232  0.0149 -4.0451 3  802.1665428  595161404534013 4    523913 4      C-13-H3C(O)CH3
  980057.5121  0.0115 -3.7439 3  802.1340856 -595161404534013 2    523913 2      C-13-H3C(O)CH3
  980060.7426  0.0471 -3.7894 3  784.1629396  5951614044949 0 3    4848 0 3      C-13-H3C(O)CH3
  980069.0720  0.0127 -3.8516 3  813.8299872 -595161404543816 2    533716 2      C-13-H3C(O)CH3
  980072.1535  0.0120 -3.8513 3  813.7761872  595161404543817 0    533716 0      C-13-H3C(O)CH3
  980085.2054  0.0168 -4.1528 3  813.8711436  595161404543816 4    533716 4      C-13-H3C(O)CH3
  980090.6122  0.0120 -3.8513 3  813.7757872  595161404543816 0    533717 0      C-13-H3C(O)CH3
  980097.0994  0.0130 -3.8516 3  813.8171872 -595161404543816 1    533716 1      C-13-H3C(O)CH3
  980102.1776  0.0098 -3.7437 3  802.1247856 -595161404534013 1    523913 1      C-13-H3C(O)CH3
  980115.1486  0.0078 -3.7436 3  802.0922856 -595161404534014 0    523913 0      C-13-H3C(O)CH3
  980115.1486  0.0078 -3.7436 3  802.0922856 -595161404534013 0    523914 0      C-13-H3C(O)CH3
  980157.1967  0.0094 -4.4022 3  335.2460648  595161404401130 0    39 831 0      C-13-H3C(O)CH3
  980157.1967  0.0094 -5.8486 3  335.2460648  595161404401030 0    39 831 0      C-13-H3C(O)CH3
  980157.1967  0.0094 -4.4022 3  335.2460648  595161404401030 0    39 931 0      C-13-H3C(O)CH3
  980157.1967  0.0094 -5.8486 3  335.2460648  595161404401130 0    39 931 0      C-13-H3C(O)CH3
  980177.9712  0.0153 -4.0449 3  802.1530428  595161404534014 3    523914 3      C-13-H3C(O)CH3
  980197.6597  0.0630 -3.7892 3  784.1025396  5951614044949 1 4    4848 1 4      C-13-H3C(O)CH3
  980212.7803  0.0140 -4.0448 3  802.1584428  595161404534013 3    523913 3      C-13-H3C(O)CH3
  980225.6947  0.0107 -3.7436 3  802.1259856 -595161404534014 2    523914 2      C-13-H3C(O)CH3
  980230.6745  0.0177 -4.1549 3  813.8483436  595161404543816 3    533716 3      C-13-H3C(O)CH3
  980235.2327  0.0101 -3.7436 3  802.1112856 -595161404534014 1    523914 1      C-13-H3C(O)CH3
  980242.8784  0.0120 -3.8512 3  813.7944872 -595161404543817 1    533717 1      C-13-H3C(O)CH3
  980258.5252  0.0126 -3.8510 3  813.8026872 -595161404543817 2    533717 2      C-13-H3C(O)CH3
  980274.8114  0.0179 -4.1547 3  813.8438436  595161404543817 3    533717 3      C-13-H3C(O)CH3
  980281.2674  0.0998 -5.0341 3 1638.2270F12  59516140494 985 0    93 984 0      C-13-H3C(O)CH3
  980281.2674  0.0998 -5.0341 3 1638.2270F12  595161404941085 0    931084 0      C-13-H3C(O)CH3
  980313.8410  0.1089 -5.0338 3 1638.2196F12  59516140494 985 2    93 984 2      C-13-H3C(O)CH3
  980313.8410  0.1089 -5.0338 3 1638.2196F12  595161404941085 2    931084 2      C-13-H3C(O)CH3
  980314.0054  0.1169 -5.6083 3 1638.2198F12  595161404941085 1    93 984 1      C-13-H3C(O)CH3
  980314.0054  0.1169 -5.1683 3 1638.2198F12  59516140494 985 1    93 984 1      C-13-H3C(O)CH3
  980314.0054  0.1169 -5.1683 3 1638.2198F12  595161404941085 1    931084 1      C-13-H3C(O)CH3
  980314.0054  0.1169 -5.6083 3 1638.2198F12  59516140494 985 1    931084 1      C-13-H3C(O)CH3
  980345.5244  0.1487 -5.0602 3 1581.8345E00  595161404871870 0    861869 0      C-13-H3C(O)CH3
  980345.5244  0.1487 -5.0602 3 1581.8345E00  595161404871770 0    861769 0      C-13-H3C(O)CH3
  980346.1966  0.0155 -4.0446 3  802.1448428  595161404534014 4    523914 4      C-13-H3C(O)CH3
  980346.5944  0.0961 -5.3457 3 1638.2124756  59516140494 985 3    93 984 3      C-13-H3C(O)CH3
  980346.5944  0.0961 -5.3457 3 1638.2124756  595161404941085 3    931084 3      C-13-H3C(O)CH3
  980346.6341  0.0961 -5.3448 3 1638.2124756  595161404941085 4    93 984 4      C-13-H3C(O)CH3
  980346.6341  0.0961 -5.3448 3 1638.2124756  59516140494 985 4    931084 4      C-13-H3C(O)CH3
  980362.1917  0.1535 -5.1812 3 1581.8544E00  595161404871770 1    861869 1      C-13-H3C(O)CH3
  980362.1917  0.1535 -5.1812 3 1581.8544E00  595161404871870 1    861769 1      C-13-H3C(O)CH3
  980362.1917  0.1535 -5.5085 3 1581.8544E00  595161404871770 1    861769 1      C-13-H3C(O)CH3
  980362.1917  0.1535 -5.5085 3 1581.8544E00  595161404871870 1    861869 1      C-13-H3C(O)CH3
  980365.1406  0.1584 -5.1483 3 1581.8553E00  595161404871870 2    861869 2      C-13-H3C(O)CH3
  980365.1406  0.1584 -5.1483 3 1581.8553E00  595161404871770 2    861769 2      C-13-H3C(O)CH3
  980365.1406  0.1584 -5.5879 3 1581.8553E00  595161404871870 2    861769 2      C-13-H3C(O)CH3
  980365.1406  0.1584 -5.5879 3 1581.8553E00  595161404871770 2    861869 2      C-13-H3C(O)CH3
  980381.8340  0.1198 -5.8177 3 1581.8753700  595161404871870 3    861869 3      C-13-H3C(O)CH3
  980381.8340  0.1198 -5.4784 3 1581.8753700  595161404871770 3    861869 3      C-13-H3C(O)CH3
  980381.8340  0.1198 -5.8177 3 1581.8753700  595161404871770 3    861769 3      C-13-H3C(O)CH3
  980381.8340  0.1198 -5.4784 3 1581.8753700  595161404871870 3    861769 3      C-13-H3C(O)CH3
  980381.8602  0.1198 -5.7210 3 1581.8753700  595161404871870 4    861769 4      C-13-H3C(O)CH3
  980381.8602  0.1198 -5.5311 3 1581.8753700  595161404871770 4    861769 4      C-13-H3C(O)CH3
  980381.8602  0.1198 -5.7210 3 1581.8753700  595161404871770 4    861869 4      C-13-H3C(O)CH3
  980381.8602  0.1198 -5.5311 3 1581.8753700  595161404871870 4    861869 4      C-13-H3C(O)CH3
  980402.1256  0.0121 -5.6703 3  292.0018552  595161404342015 2    331518 2      C-13-H3C(O)CH3
  980420.2965  0.0193 -4.1518 3  813.8211436  595161404543817 4    533717 4      C-13-H3C(O)CH3
  980434.6062  0.0132 -5.9696 3  291.9802276  595161404342015 4    331518 4      C-13-H3C(O)CH3
  980436.1047  0.0126 -5.9696 3  291.9802276  595161404342015 3    331518 3      C-13-H3C(O)CH3
  980441.4242  0.0113 -5.6705 3  292.0267552  595161404342015 0    331518 0      C-13-H3C(O)CH3
  980475.1308  0.0119 -5.6692 3  292.0052552  595161404342015 1    331518 1      C-13-H3C(O)CH3
  980509.5038  0.1163 -5.2524 3 1472.8053636  595161404792653 4    782752 4      C-13-H3C(O)CH3
  980509.5038  0.1163 -5.2524 3 1472.8053636  595161404792753 4    782652 4      C-13-H3C(O)CH3
  980509.5118  0.1163 -5.7871 3 1472.8052636  595161404792753 3    782752 3      C-13-H3C(O)CH3
  980509.5118  0.1163 -5.7871 3 1472.8052636  595161404792653 3    782652 3      C-13-H3C(O)CH3
  980509.5118  0.1163 -5.3745 3 1472.8052636  595161404792653 3    782752 3      C-13-H3C(O)CH3
  980509.5118  0.1163 -5.3745 3 1472.8052636  595161404792753 3    782652 3      C-13-H3C(O)CH3
  980513.1214  0.1443 -4.9337 3 1472.7833C72  595161404792653 1    782752 1      C-13-H3C(O)CH3
  980513.1214  0.1443 -4.9337 3 1472.7833C72  595161404792753 1    782652 1      C-13-H3C(O)CH3
  980517.2324  0.1446 -5.8535 3 1472.7856C72  595161404792653 2    782652 2      C-13-H3C(O)CH3
  980517.2324  0.1446 -4.9868 3 1472.7856C72  595161404792653 2    782752 2      C-13-H3C(O)CH3
  980517.2324  0.1446 -5.8535 3 1472.7856C72  595161404792753 2    782752 2      C-13-H3C(O)CH3
  980517.2324  0.1446 -4.9868 3 1472.7856C72  595161404792753 2    782652 2      C-13-H3C(O)CH3
  980520.8470  0.1409 -4.9822 3 1472.7637C72  595161404792653 0    782652 0      C-13-H3C(O)CH3
  980520.8470  0.1409 -4.9822 3 1472.7637C72  595161404792753 0    782752 0      C-13-H3C(O)CH3
  980520.8470  0.1409 -5.8882 3 1472.7637C72  595161404792753 0    782652 0      C-13-H3C(O)CH3
  980520.8470  0.1409 -5.8882 3 1472.7637C72  595161404792653 0    782752 0      C-13-H3C(O)CH3
  980722.3239  0.0383 -4.6080 3  521.7233712  595161404442916 0    432617 0      C-13-H3C(O)CH3
  980918.6354  0.0157 -4.7989 3  445.6519664  595161404412615 0    402318 0      C-13-H3C(O)CH3
  980930.8997  0.2116 -4.7470 3  828.0807444  595161404553619 4    543520 4      C-13-H3C(O)CH3
  981068.3735  0.0161 -4.7980 3  445.6304664  595161404412615 1    402318 1      C-13-H3C(O)CH3
  981096.1387  0.0165 -4.7976 3  445.6250664  595161404412615 2    402318 2      C-13-H3C(O)CH3
  981097.4351  0.0337 -4.6294 3  521.7014712  595161404442916 1    432617 1      C-13-H3C(O)CH3
  981119.5685  0.0155 -4.9285 3  293.6003316  59516140439 732 4    38 633 4      C-13-H3C(O)CH3
  981119.5685  0.0155 -4.9285 3  293.6003316  59516140439 832 4    38 533 4      C-13-H3C(O)CH3
  981120.1583  0.0142 -5.1332 3  293.6002316  59516140439 832 3    38 633 3      C-13-H3C(O)CH3
  981120.1583  0.0142 -5.1332 3  293.6002316  59516140439 732 3    38 533 3      C-13-H3C(O)CH3
  981120.1583  0.0142 -5.3328 3  293.6002316  59516140439 732 3    38 633 3      C-13-H3C(O)CH3
  981120.1583  0.0142 -5.3328 3  293.6002316  59516140439 832 3    38 533 3      C-13-H3C(O)CH3
  981146.9505  0.0797 -4.8192 3 1234.9526A96  595161404683731 1    673830 1      C-13-H3C(O)CH3
  981153.0539  0.0781 -4.8189 3 1234.9423A96  595161404683731 0    673830 0      C-13-H3C(O)CH3
  981156.4596  0.0874 -5.1204 3 1234.9665548  595161404683731 3    673830 3      C-13-H3C(O)CH3
  981156.9929  0.0863 -5.1204 3 1234.9665548  595161404683731 4    673830 4      C-13-H3C(O)CH3
  981163.5006  0.0898 -4.8191 3 1234.9562A96  595161404683731 2    673830 2      C-13-H3C(O)CH3
  981217.7368  0.0172 -5.0967 3  445.6036332  595161404412615 3    402318 3      C-13-H3C(O)CH3
  981273.2675  0.0163 -5.0987 3  445.6035332  595161404412615 4    402318 4      C-13-H3C(O)CH3
  981428.6276  0.1192 -5.2793 3 1490.7641644  595161404802555 4    792554 4      C-13-H3C(O)CH3
  981428.6276  0.1192 -5.2793 3 1490.7641644  595161404802655 4    792654 4      C-13-H3C(O)CH3
  981428.6322  0.1192 -5.2661 3 1490.7641644  595161404802555 3    792654 3      C-13-H3C(O)CH3
  981428.6322  0.1192 -5.2661 3 1490.7641644  595161404802655 3    792554 3      C-13-H3C(O)CH3
  981430.7385  0.1506 -4.9640 3 1490.7418C88  595161404802555 1    792654 1      C-13-H3C(O)CH3
  981430.7385  0.1506 -4.9640 3 1490.7418C88  595161404802655 1    792554 1      C-13-H3C(O)CH3
  981435.0334  0.1509 -5.0117 3 1490.7441C88  595161404802555 2    792654 2      C-13-H3C(O)CH3
  981435.0334  0.1509 -5.8140 3 1490.7441C88  595161404802655 2    792654 2      C-13-H3C(O)CH3
  981435.0334  0.1509 -5.0117 3 1490.7441C88  595161404802655 2    792554 2      C-13-H3C(O)CH3
  981435.0334  0.1509 -5.8140 3 1490.7441C88  595161404802555 2    792554 2      C-13-H3C(O)CH3
  981437.1466  0.1462 -5.3521 3 1490.7218C88  595161404802655 0    792554 0      C-13-H3C(O)CH3
  981437.1466  0.1462 -5.1660 3 1490.7218C88  595161404802655 0    792654 0      C-13-H3C(O)CH3
  981437.1466  0.1462 -5.3521 3 1490.7218C88  595161404802555 0    792654 0      C-13-H3C(O)CH3
  981437.1466  0.1462 -5.1660 3 1490.7218C88  595161404802555 0    792554 0      C-13-H3C(O)CH3
  981471.1369  0.1444 -5.0557 3 1594.8348E16  595161404881672 0    871671 0      C-13-H3C(O)CH3
  981471.1369  0.1444 -5.0557 3 1594.8348E16  595161404881772 0    871771 0      C-13-H3C(O)CH3
  981491.3038  0.1474 -5.8562 3 1594.8537E16  595161404881772 1    871771 1      C-13-H3C(O)CH3
  981491.3038  0.1474 -5.0950 3 1594.8537E16  595161404881772 1    871671 1      C-13-H3C(O)CH3
  981491.3038  0.1474 -5.0950 3 1594.8537E16  595161404881672 1    871771 1      C-13-H3C(O)CH3
  981491.3038  0.1474 -5.8562 3 1594.8537E16  595161404881672 1    871671 1      C-13-H3C(O)CH3
  981493.8144  0.1528 -5.0260 3 1594.8544E16  595161404881772 2    871671 2      C-13-H3C(O)CH3
  981493.8144  0.1528 -5.0260 3 1594.8544E16  595161404881672 2    871771 2      C-13-H3C(O)CH3
  981514.0094  0.1186 -5.3625 3 1594.8733708  595161404881772 3    871771 3      C-13-H3C(O)CH3
  981514.0094  0.1186 -5.3625 3 1594.8733708  595161404881672 3    871671 3      C-13-H3C(O)CH3
  981514.0388  0.1186 -5.3976 3 1594.8733708  595161404881772 4    871771 4      C-13-H3C(O)CH3
  981514.0388  0.1186 -5.3976 3 1594.8733708  595161404881672 4    871671 4      C-13-H3C(O)CH3
  981520.3508  0.1014 -5.4561 3 1646.9415F28  59516140495 987 0    94 986 0      C-13-H3C(O)CH3
  981520.3508  0.1014 -5.4561 3 1646.9415F28  59516140495 887 0    94 886 0      C-13-H3C(O)CH3
  981520.3508  0.1014 -5.2492 3 1646.9415F28  59516140495 887 0    94 986 0      C-13-H3C(O)CH3
  981520.3508  0.1014 -5.2492 3 1646.9415F28  59516140495 987 0    94 886 0      C-13-H3C(O)CH3
  981540.6320  0.0116 -4.6191 3  293.5996632  59516140439 732 2    38 533 2      C-13-H3C(O)CH3
  981540.6320  0.0116 -4.6191 3  293.5996632  59516140439 832 2    38 633 2      C-13-H3C(O)CH3
  981544.3914  0.0125 -4.9061 3  293.6001632  59516140439 732 1    38 533 1      C-13-H3C(O)CH3
  981544.3914  0.0125 -4.9347 3  293.6001632  59516140439 732 1    38 633 1      C-13-H3C(O)CH3
  981544.3914  0.0125 -4.9347 3  293.6001632  59516140439 832 1    38 533 1      C-13-H3C(O)CH3
  981544.3914  0.0125 -4.9061 3  293.6001632  59516140439 832 1    38 633 1      C-13-H3C(O)CH3
  981549.6115  0.1178 -5.3990 3 1646.9275F28  59516140495 887 2    94 886 2      C-13-H3C(O)CH3
  981549.6115  0.1178 -5.3990 3 1646.9275F28  59516140495 987 2    94 986 2      C-13-H3C(O)CH3
  981549.6115  0.1178 -5.2888 3 1646.9275F28  59516140495 887 2    94 986 2      C-13-H3C(O)CH3
  981549.6115  0.1178 -5.2888 3 1646.9275F28  59516140495 987 2    94 886 2      C-13-H3C(O)CH3
  981549.8059  0.1265 -5.0394 3 1646.9277F28  59516140495 987 1    94 986 1      C-13-H3C(O)CH3
  981549.8059  0.1265 -5.0394 3 1646.9277F28  59516140495 887 1    94 886 1      C-13-H3C(O)CH3
  981579.0758  0.0934 -5.4146 3 1646.9138764  59516140495 987 3    94 986 3      C-13-H3C(O)CH3
  981579.0758  0.0934 -5.4146 3 1646.9138764  59516140495 887 3    94 886 3      C-13-H3C(O)CH3
  981579.1090  0.0934 -5.3410 3 1646.9137764  59516140495 887 4    94 886 4      C-13-H3C(O)CH3
  981579.1090  0.0934 -5.3410 3 1646.9137764  59516140495 987 4    94 986 4      C-13-H3C(O)CH3
  981596.5524  0.0566 -4.6552 3  521.6867712  595161404442916 2    432617 2      C-13-H3C(O)CH3
  981738.0973  0.0531 -5.0017 3  521.6652356  595161404442916 4    432617 4      C-13-H3C(O)CH3
  981771.9879  0.0174 -3.5340 3  787.9753808  5951614045047 4 0    4946 3 0      C-13-H3C(O)CH3
  981771.9879  0.0174 -3.5340 3  787.9753808  5951614045047 3 0    4946 4 0      C-13-H3C(O)CH3
  981777.1426  0.0186 -3.5341 3  788.0288808  5951614045047 3 1    4946 3 1      C-13-H3C(O)CH3
  981819.5169  0.0189 -3.5340 3  788.0058808  5951614045047 3 2    4946 3 2      C-13-H3C(O)CH3
  981825.2143  0.0239 -3.8351 3  788.0592404  5951614045047 3 4    4946 3 4      C-13-H3C(O)CH3
  981859.2161  0.0247 -5.4119 3  251.3628308  59516140438 534 3    37 235 3      C-13-H3C(O)CH3
  981859.2161  0.0247 -5.4119 3  251.3628308  59516140438 434 3    37 335 3      C-13-H3C(O)CH3
  981859.2321  0.0265 -5.6962 3  251.3628308  59516140438 434 4    37 235 4      C-13-H3C(O)CH3
  981859.2321  0.0265 -5.6384 3  251.3628308  59516140438 534 4    37 235 4      C-13-H3C(O)CH3
  981859.2321  0.0265 -5.6962 3  251.3628308  59516140438 534 4    37 335 4      C-13-H3C(O)CH3
  981859.2321  0.0265 -5.6384 3  251.3628308  59516140438 434 4    37 335 4      C-13-H3C(O)CH3
  981902.0341  0.0217 -3.5339 3  787.9708808  5951614045047 4 2    4946 4 2      C-13-H3C(O)CH3
  981907.3148  0.0267 -3.8350 3  788.0241404  5951614045047 4 3    4946 3 3      C-13-H3C(O)CH3
  981948.4553  0.0207 -3.5339 3  787.9927808  5951614045047 4 1    4946 4 1      C-13-H3C(O)CH3
  981964.0945  0.0112 -4.8510 3  293.5995632  59516140439 832 0    38 633 0      C-13-H3C(O)CH3
  981964.0945  0.0112 -4.8510 3  293.5995632  59516140439 732 0    38 533 0      C-13-H3C(O)CH3
  981964.0945  0.0112 -5.0012 3  293.5995632  59516140439 832 0    38 533 0      C-13-H3C(O)CH3
  981964.0945  0.0112 -5.0012 3  293.5995632  59516140439 732 0    38 633 0      C-13-H3C(O)CH3
  981996.0368  0.0266 -3.8349 3  788.0231404  5951614045047 3 3    4946 4 3      C-13-H3C(O)CH3
  982077.9959  0.0322 -3.8348 3  787.9881404  5951614045047 4 4    4946 4 4      C-13-H3C(O)CH3
  982152.0781  0.3308 -4.5756 3 1006.6629984  595161404613725 0    603624 0      C-13-H3C(O)CH3
  982277.1959  0.0650 -4.9191 3  521.6648356  595161404442916 3    432617 3      C-13-H3C(O)CH3
  982387.1011  0.1218 -5.4929 3 1508.1630652  595161404812557 4    802556 4      C-13-H3C(O)CH3
  982387.1011  0.1218 -5.6559 3 1508.1630652  595161404812557 4    802456 4      C-13-H3C(O)CH3
  982387.1011  0.1218 -5.4929 3 1508.1630652  595161404812457 4    802456 4      C-13-H3C(O)CH3
  982387.1011  0.1218 -5.6559 3 1508.1630652  595161404812457 4    802556 4      C-13-H3C(O)CH3
  982387.1023  0.1218 -5.3145 3 1508.1629652  595161404812457 3    802456 3      C-13-H3C(O)CH3
  982387.1023  0.1218 -5.3145 3 1508.1629652  595161404812557 3    802556 3      C-13-H3C(O)CH3
  982387.4472  0.1564 -4.9721 3 1508.1403D04  595161404812457 1    802556 1      C-13-H3C(O)CH3
  982387.4472  0.1564 -4.9721 3 1508.1403D04  595161404812557 1    802456 1      C-13-H3C(O)CH3
  982391.8637  0.1569 -4.9866 3 1508.1425D04  595161404812557 2    802556 2      C-13-H3C(O)CH3
  982391.8637  0.1569 -4.9866 3 1508.1425D04  595161404812457 2    802456 2      C-13-H3C(O)CH3
  982392.2175  0.1510 -5.0026 3 1508.1199D04  595161404812457 0    802556 0      C-13-H3C(O)CH3
  982392.2175  0.1510 -5.0026 3 1508.1199D04  595161404812557 0    802456 0      C-13-H3C(O)CH3
  982570.7926  0.0940 -4.8173 3 1234.9070A96  595161404683831 0    673730 0      C-13-H3C(O)CH3
  982602.1058  0.0259 -5.1510 3  251.3286616  59516140438 434 2    37 335 2      C-13-H3C(O)CH3
  982602.1058  0.0259 -5.8009 3  251.3286616  59516140438 434 2    37 235 2      C-13-H3C(O)CH3
  982602.1058  0.0259 -5.8009 3  251.3286616  59516140438 534 2    37 335 2      C-13-H3C(O)CH3
  982602.1058  0.0259 -5.1510 3  251.3286616  59516140438 534 2    37 235 2      C-13-H3C(O)CH3
  982604.1368  0.0279 -5.1203 3  251.3291616  59516140438 534 1    37 235 1      C-13-H3C(O)CH3
  982604.1368  0.0279 -5.1203 3  251.3291616  59516140438 434 1    37 335 1      C-13-H3C(O)CH3
  982611.5159  0.1387 -5.8884 3 1607.2996E32  595161404891674 0    881573 0      C-13-H3C(O)CH3
  982611.5159  0.1387 -5.8884 3 1607.2996E32  595161404891574 0    881673 0      C-13-H3C(O)CH3
  982611.5159  0.1387 -5.1027 3 1607.2996E32  595161404891574 0    881573 0      C-13-H3C(O)CH3
  982611.5159  0.1387 -5.1027 3 1607.2996E32  595161404891674 0    881673 0      C-13-H3C(O)CH3
  982625.5529  0.0810 -4.8175 3 1234.9197A96  595161404683831 2    673730 2      C-13-H3C(O)CH3
  982635.1641  0.1395 -5.0452 3 1607.3170E32  595161404891574 1    881673 1      C-13-H3C(O)CH3
  982635.1641  0.1395 -5.0452 3 1607.3170E32  595161404891674 1    881573 1      C-13-H3C(O)CH3
  982637.2019  0.1450 -5.0369 3 1607.3174E32  595161404891574 2    881673 2      C-13-H3C(O)CH3
  982637.2019  0.1450 -5.0390 3 1607.3174E32  595161404891674 2    881573 2      C-13-H3C(O)CH3
  982650.7472  0.0837 -4.8175 3 1234.9152A96  595161404683831 1    673730 1      C-13-H3C(O)CH3
  982660.8799  0.1171 -5.4799 3 1607.3349716  595161404891574 3    881573 3      C-13-H3C(O)CH3
  982660.8799  0.1171 -5.8925 3 1607.3349716  595161404891574 3    881673 3      C-13-H3C(O)CH3
  982660.8799  0.1171 -5.8925 3 1607.3349716  595161404891674 3    881573 3      C-13-H3C(O)CH3
  982660.8799  0.1171 -5.4799 3 1607.3349716  595161404891674 3    881673 3      C-13-H3C(O)CH3
  982660.9125  0.1171 -5.5864 3 1607.3349716  595161404891574 4    881673 4      C-13-H3C(O)CH3
  982660.9125  0.1171 -5.6988 3 1607.3349716  595161404891574 4    881573 4      C-13-H3C(O)CH3
  982660.9125  0.1171 -5.6988 3 1607.3349716  595161404891674 4    881673 4      C-13-H3C(O)CH3
  982660.9125  0.1171 -5.5864 3 1607.3349716  595161404891674 4    881573 4      C-13-H3C(O)CH3
  982706.4162  0.0606 -5.1187 3 1234.9279548  595161404683831 4    673730 4      C-13-H3C(O)CH3
  982706.8172  0.0611 -5.1187 3 1234.9279548  595161404683831 3    673730 3      C-13-H3C(O)CH3
  982775.6013  0.1024 -5.0504 3 1655.1298F44  59516140496 789 0    95 788 0      C-13-H3C(O)CH3
  982775.6013  0.1024 -5.0504 3 1655.1298F44  59516140496 889 0    95 888 0      C-13-H3C(O)CH3
  982799.5248  0.1250 -5.0587 3 1655.1090F44  59516140496 789 2    95 788 2      C-13-H3C(O)CH3
  982799.5248  0.1250 -5.0587 3 1655.1090F44  59516140496 889 2    95 888 2      C-13-H3C(O)CH3
  982799.6587  0.1330 -5.0442 3 1655.1091F44  59516140496 789 1    95 788 1      C-13-H3C(O)CH3
  982799.6587  0.1330 -5.0442 3 1655.1091F44  59516140496 889 1    95 888 1      C-13-H3C(O)CH3
  982823.5867  0.0896 -5.9655 3 1655.0883772  59516140496 789 3    95 888 3      C-13-H3C(O)CH3
  982823.5867  0.0896 -5.9655 3 1655.0883772  59516140496 889 3    95 788 3      C-13-H3C(O)CH3
  982823.5867  0.0896 -5.4641 3 1655.0883772  59516140496 789 3    95 788 3      C-13-H3C(O)CH3
  982823.5867  0.0896 -5.4641 3 1655.0883772  59516140496 889 3    95 888 3      C-13-H3C(O)CH3
  982823.6083  0.0896 -5.4194 3 1655.0882772  59516140496 889 4    95 888 4      C-13-H3C(O)CH3
  982823.6083  0.0896 -5.4194 3 1655.0882772  59516140496 789 4    95 788 4      C-13-H3C(O)CH3
  982979.6393  0.0458 -4.1117 3  855.3912904  595161404563621 0    553520 0      C-13-H3C(O)CH3
  983009.1206  0.1122 -4.5047 3  855.4296452  595161404563621 4    553520 4      C-13-H3C(O)CH3
  983047.1624  0.4113 -4.5740 3 1006.6468984  595161404613725 2    603624 2      C-13-H3C(O)CH3
  983069.5433  0.0365 -4.1359 3  580.3157760  595161404472621 2    462522 2      C-13-H3C(O)CH3
  983070.9614  0.0373 -4.4367 3  580.3000380  595161404472621 3    462522 3      C-13-H3C(O)CH3
  983073.8650  0.0379 -4.4367 3  580.2999380  595161404472621 4    462522 4      C-13-H3C(O)CH3
  983107.1951  0.0263 -5.3501 3  433.9293324  595161404402813 4    392515 4      C-13-H3C(O)CH3
  983116.5971  0.2905 -4.5738 3 1006.6441984  595161404613725 1    603624 1      C-13-H3C(O)CH3
  983128.2179  0.0204 -4.1360 3  580.3345760  595161404472621 0    462522 0      C-13-H3C(O)CH3
  983131.8206  0.0191 -4.1358 3  580.3187760  595161404472621 1    462522 1      C-13-H3C(O)CH3
  983134.5032  0.0195 -5.1374 3  433.9487648  595161404402813 1    392515 1      C-13-H3C(O)CH3
  983136.3911  0.0494 -4.1396 3  855.4092904  595161404563621 2    553520 2      C-13-H3C(O)CH3
  983148.7871  0.0424 -4.1318 3  855.4074904  595161404563621 1    553520 1      C-13-H3C(O)CH3
  983307.9717  0.0237 -5.0834 3  433.9488648  595161404402813 2    392515 2      C-13-H3C(O)CH3
  983345.4386  0.0243 -5.1754 3  251.2950616  59516140438 534 0    37 235 0      C-13-H3C(O)CH3
  983345.4386  0.0243 -5.7022 3  251.2950616  59516140438 434 0    37 235 0      C-13-H3C(O)CH3
  983345.4386  0.0243 -5.1754 3  251.2950616  59516140438 434 0    37 335 0      C-13-H3C(O)CH3
  983345.4386  0.0243 -5.7022 3  251.2950616  59516140438 534 0    37 335 0      C-13-H3C(O)CH3
  983377.0472  0.1616 -5.0804 3 1524.9833D20  595161404822459 1    812358 1      C-13-H3C(O)CH3
  983377.0472  0.1616 -5.6693 3 1524.9833D20  595161404822459 1    812458 1      C-13-H3C(O)CH3
  983377.0472  0.1616 -5.6693 3 1524.9833D20  595161404822359 1    812358 1      C-13-H3C(O)CH3
  983377.0472  0.1616 -5.0804 3 1524.9833D20  595161404822359 1    812458 1      C-13-H3C(O)CH3
  983378.7105  0.1239 -5.4568 3 1525.0062660  595161404822459 3    812358 3      C-13-H3C(O)CH3
  983378.7105  0.1239 -5.7615 3 1525.0062660  595161404822459 3    812458 3      C-13-H3C(O)CH3
  983378.7105  0.1239 -5.4568 3 1525.0062660  595161404822359 3    812458 3      C-13-H3C(O)CH3
  983378.7105  0.1239 -5.7615 3 1525.0062660  595161404822359 3    812358 3      C-13-H3C(O)CH3
  983378.7129  0.1239 -5.2835 3 1525.0062660  595161404822459 4    812358 4      C-13-H3C(O)CH3
  983378.7129  0.1239 -5.2835 3 1525.0062660  595161404822359 4    812458 4      C-13-H3C(O)CH3
  983379.8648  0.1552 -4.9811 3 1524.9625D20  595161404822359 0    812458 0      C-13-H3C(O)CH3
  983379.8648  0.1552 -4.9811 3 1524.9625D20  595161404822459 0    812358 0      C-13-H3C(O)CH3
  983381.5172  0.1625 -5.0380 3 1524.9854D20  595161404822459 2    812358 2      C-13-H3C(O)CH3
  983381.5172  0.1625 -5.8897 3 1524.9854D20  595161404822359 2    812358 2      C-13-H3C(O)CH3
  983381.5172  0.1625 -5.8897 3 1524.9854D20  595161404822459 2    812458 2      C-13-H3C(O)CH3
  983381.5172  0.1625 -5.0380 3 1524.9854D20  595161404822359 2    812458 2      C-13-H3C(O)CH3
  983385.6477  0.0390 -5.9348 3  521.7014712  595161404442915 1    432617 1      C-13-H3C(O)CH3
  983412.3246  0.0171 -4.7865 3  433.9672648  595161404402812 0    392515 0      C-13-H3C(O)CH3
  983598.9310  0.0202 -5.5080 3  365.3460292  5951614043629 8 3    3526 9 3      C-13-H3C(O)CH3
  983603.1543  0.0213 -5.5106 3  365.3348292  5951614043629 8 4    352610 4      C-13-H3C(O)CH3
  983614.3754  0.0448 -4.4105 3  855.4216452  595161404563621 3    553520 3      C-13-H3C(O)CH3
  983647.7753  0.0134 -3.5872 3  793.4662824 -5951614045145 6 2    5044 6 2      C-13-H3C(O)CH3
  983653.7581  0.0114 -3.5871 3  793.4482824 -5951614045145 7 0    5044 6 0      C-13-H3C(O)CH3
  983653.8406  0.0114 -3.5871 3  793.4482824  5951614045145 6 0    5044 7 0      C-13-H3C(O)CH3
  983655.6436  0.0177 -3.8882 3  793.5023412  5951614045145 6 4    5044 6 4      C-13-H3C(O)CH3
  983661.4822  0.0299 -5.4753 3  433.9310324  595161404402813 3    392515 3      C-13-H3C(O)CH3
  983661.7189  0.0122 -3.5872 3  793.4844824 -5951614045145 6 1    5044 6 1      C-13-H3C(O)CH3
  983703.8689  0.0181 -5.2101 3  365.3576584  5951614043629 8 1    352610 1      C-13-H3C(O)CH3
  983727.4943  0.0136 -3.5872 3  793.4539824 -5951614045145 7 2    5044 7 2      C-13-H3C(O)CH3
  983735.0208  0.0181 -3.8882 3  793.4901412  5951614045145 6 3    5044 6 3      C-13-H3C(O)CH3
  983752.7924  0.0239 -5.0409 3  433.9487648  595161404402812 1    392515 1      C-13-H3C(O)CH3
  983766.2344  0.1318 -5.1024 3 1619.2304E48  595161404901476 0    891475 0      C-13-H3C(O)CH3
  983766.2344  0.1318 -5.1024 3 1619.2304E48  595161404901576 0    891575 0      C-13-H3C(O)CH3
  983782.6536  0.0185 -3.8881 3  793.4753412  5951614045145 7 3    5044 7 3      C-13-H3C(O)CH3
  983789.2573  0.0129 -3.5871 3  793.4574824 -5951614045145 7 1    5044 7 1      C-13-H3C(O)CH3
  983793.2029  0.1303 -5.0919 3 1619.2458E48  595161404901476 1    891475 1      C-13-H3C(O)CH3
  983793.2029  0.1303 -5.0919 3 1619.2458E48  595161404901576 1    891575 1      C-13-H3C(O)CH3
  983794.7548  0.1354 -5.5466 3 1619.2460E48  595161404901476 2    891575 2      C-13-H3C(O)CH3
  983794.7548  0.1354 -5.2129 3 1619.2460E48  595161404901476 2    891475 2      C-13-H3C(O)CH3
  983794.7548  0.1354 -5.5466 3 1619.2460E48  595161404901576 2    891475 2      C-13-H3C(O)CH3
  983794.7548  0.1354 -5.2129 3 1619.2460E48  595161404901576 2    891575 2      C-13-H3C(O)CH3
  983821.7542  0.1152 -5.3653 3 1619.2614724  595161404901576 3    891475 3      C-13-H3C(O)CH3
  983821.7542  0.1152 -5.3653 3 1619.2614724  595161404901476 3    891575 3      C-13-H3C(O)CH3
  983821.7897  0.1152 -5.3486 3 1619.2614724  595161404901476 4    891575 4      C-13-H3C(O)CH3
  983821.7897  0.1152 -5.3486 3 1619.2614724  595161404901576 4    891475 4      C-13-H3C(O)CH3
  983854.2760  0.2025 -5.9621 3  833.8813444  595161404553719 4    543618 4      C-13-H3C(O)CH3
  983862.5263  0.0201 -3.8881 3  793.4631412  5951614045145 7 4    5044 7 4      C-13-H3C(O)CH3
  983916.7915  0.0182 -5.2095 3  365.3798584  5951614043629 7 2    3526 9 2      C-13-H3C(O)CH3
  983924.7150  0.0177 -5.2122 3  365.3686584  5951614043629 8 2    352610 2      C-13-H3C(O)CH3
  983993.1010  0.3424 -4.8734 3 1006.6285492  595161404613725 4    603624 4      C-13-H3C(O)CH3
  984008.3897  0.0229 -5.5075 3  365.3498292  5951614043629 7 4    3526 9 4      C-13-H3C(O)CH3
  984015.4718  0.0205 -5.5102 3  365.3387292  5951614043629 7 3    352610 3      C-13-H3C(O)CH3
  984023.2265  0.0178 -5.2124 3  365.3913584  5951614043629 8 0    3526 9 0      C-13-H3C(O)CH3
  984026.9617  0.3613 -4.8731 3 1006.6280492  595161404613725 3    603624 3      C-13-H3C(O)CH3
  984029.1226  0.0177 -5.2124 3  365.3911584  5951614043629 7 0    352610 0      C-13-H3C(O)CH3
  984047.4403  0.1000 -5.0988 3 1662.7922F60  59516140497 791 0    96 790 0      C-13-H3C(O)CH3
  984047.4403  0.1000 -5.0988 3 1662.7922F60  59516140497 691 0    96 690 0      C-13-H3C(O)CH3
  984058.9484  0.0360 -5.3150 3  433.9310324  595161404402812 3    392515 3      C-13-H3C(O)CH3
  984063.8508  0.1259 -5.1643 3 1662.7647F60  59516140497 791 2    96 690 2      C-13-H3C(O)CH3
  984063.8508  0.1259 -5.6772 3 1662.7647F60  59516140497 791 2    96 790 2      C-13-H3C(O)CH3
  984063.8508  0.1259 -5.1643 3 1662.7647F60  59516140497 691 2    96 790 2      C-13-H3C(O)CH3
  984063.8508  0.1259 -5.6772 3 1662.7647F60  59516140497 691 2    96 690 2      C-13-H3C(O)CH3
  984063.8721  0.1322 -5.3353 3 1662.7648F60  59516140497 791 1    96 690 1      C-13-H3C(O)CH3
  984063.8721  0.1322 -5.3633 3 1662.7648F60  59516140497 791 1    96 790 1      C-13-H3C(O)CH3
  984063.8721  0.1322 -5.3633 3 1662.7648F60  59516140497 691 1    96 690 1      C-13-H3C(O)CH3
  984063.8721  0.1322 -5.3353 3 1662.7648F60  59516140497 691 1    96 790 1      C-13-H3C(O)CH3
  984080.2859  0.0838 -5.4114 3 1662.7373780  59516140497 691 3    96 790 3      C-13-H3C(O)CH3
  984080.2859  0.0838 -5.4114 3 1662.7373780  59516140497 791 3    96 690 3      C-13-H3C(O)CH3
  984080.2906  0.0838 -5.3499 3 1662.7373780  59516140497 791 4    96 790 4      C-13-H3C(O)CH3
  984080.2906  0.0838 -5.3499 3 1662.7373780  59516140497 691 4    96 690 4      C-13-H3C(O)CH3
  984112.2388  0.0186 -5.2097 3  365.3614584  5951614043629 7 1    3526 9 1      C-13-H3C(O)CH3
  984121.0686  0.0085 -4.1105 3  481.6130712  595161404442024 0    431925 0      C-13-H3C(O)CH3
  984121.3236  0.0085 -4.1105 3  481.6130712  595161404442124 0    431825 0      C-13-H3C(O)CH3
  984124.4645  0.0729 -5.6209 3  521.6867712  595161404442915 2    432617 2      C-13-H3C(O)CH3
  984200.9685  0.0112 -4.1103 3  481.5864712  595161404442024 2    431925 2      C-13-H3C(O)CH3
  984201.2489  0.0112 -4.1103 3  481.5864712  595161404442124 2    431825 2      C-13-H3C(O)CH3
  984209.2681  0.0092 -4.1102 3  481.5882712  595161404442024 1    431925 1      C-13-H3C(O)CH3
  984209.5396  0.0092 -4.1102 3  481.5882712  595161404442124 1    431825 1      C-13-H3C(O)CH3
  984289.3430  0.0123 -4.4110 3  481.5615356  595161404442024 3    431925 3      C-13-H3C(O)CH3
  984289.3974  0.0124 -4.4110 3  481.5615356  595161404442024 4    431925 4      C-13-H3C(O)CH3
  984289.6416  0.0123 -4.4110 3  481.5615356  595161404442124 3    431825 3      C-13-H3C(O)CH3
  984289.6943  0.0124 -4.4110 3  481.5615356  595161404442124 4    431825 4      C-13-H3C(O)CH3
  984290.9274  0.0073 -4.1912 3  408.8208680  595161404421627 0    411328 0      C-13-H3C(O)CH3
  984290.9274  0.0073 -4.1925 3  408.8208680  595161404421527 0    411428 0      C-13-H3C(O)CH3
  984293.2395  0.0092 -4.1913 3  408.7916680  595161404421527 2    411428 2      C-13-H3C(O)CH3
  984293.2395  0.0092 -4.1911 3  408.7916680  595161404421627 2    411328 2      C-13-H3C(O)CH3
  984299.0480  0.0091 -4.1914 3  408.7928680  595161404421527 1    411428 1      C-13-H3C(O)CH3
  984299.0480  0.0091 -4.1914 3  408.7928680  595161404421627 1    411328 1      C-13-H3C(O)CH3
  984301.1410  0.0099 -4.4919 3  408.7635340  595161404421627 4    411328 4      C-13-H3C(O)CH3
  984301.1410  0.0099 -4.4921 3  408.7635340  595161404421527 4    411428 4      C-13-H3C(O)CH3
  984301.3993  0.0099 -4.4923 3  408.7636340  595161404421527 3    411428 3      C-13-H3C(O)CH3
  984301.3993  0.0099 -4.4919 3  408.7636340  595161404421627 3    411328 3      C-13-H3C(O)CH3
  984309.8921  0.0348 -5.0927 3  433.9488648  595161404402812 2    392515 2      C-13-H3C(O)CH3
  984394.7887  0.1660 -5.0136 3 1541.2746D36  595161404832361 1    822260 1      C-13-H3C(O)CH3
  984394.7887  0.1660 -5.0136 3 1541.2746D36  595161404832261 1    822360 1      C-13-H3C(O)CH3
  984395.3427  0.1587 -5.0303 3 1541.2535D36  595161404832361 0    822360 0      C-13-H3C(O)CH3
  984395.3427  0.1587 -5.0303 3 1541.2535D36  595161404832261 0    822260 0      C-13-H3C(O)CH3
  984398.6978  0.1257 -5.4652 3 1541.2976668  595161404832361 3    822260 3      C-13-H3C(O)CH3
  984398.6978  0.1257 -5.7923 3 1541.2976668  595161404832261 3    822260 3      C-13-H3C(O)CH3
  984398.6978  0.1257 -5.4652 3 1541.2976668  595161404832261 3    822360 3      C-13-H3C(O)CH3
  984398.6978  0.1257 -5.7923 3 1541.2976668  595161404832361 3    822360 3      C-13-H3C(O)CH3
  984398.7038  0.1257 -5.2977 3 1541.2977668  595161404832261 4    822260 4      C-13-H3C(O)CH3
  984398.7038  0.1257 -5.2977 3 1541.2977668  595161404832361 4    822360 4      C-13-H3C(O)CH3
  984399.2388  0.1673 -5.0184 3 1541.2766D36  595161404832261 2    822360 2      C-13-H3C(O)CH3
  984399.2388  0.1673 -5.0184 3 1541.2766D36  595161404832361 2    822260 2      C-13-H3C(O)CH3
  984538.3034  0.0935 -4.2250 3  883.4418920  595161404573622 0    563521 0      C-13-H3C(O)CH3
  984604.1168  0.1521 -5.1581 3  833.8377888  595161404553719 2    543618 2      C-13-H3C(O)CH3
  984717.7066  0.0417 -5.4293 3  433.9293324  595161404402812 4    392515 4      C-13-H3C(O)CH3
  984725.0701  1.8091 -5.9300 3 1409.8911580  595161404724329 3    714428 3      C-13-H3C(O)CH3
  984727.9281  1.7606 -5.9301 3 1409.8910580  595161404724329 4    714428 4      C-13-H3C(O)CH3
  984803.9897  0.1148 -4.9839 3  833.8276888  595161404553719 1    543618 1      C-13-H3C(O)CH3
  984903.5686  0.0826 -5.6411 3  521.6652356  595161404442915 4    432617 4      C-13-H3C(O)CH3
  984935.0974  0.1244 -5.1105 3 1630.6288E64  595161404911478 0    901377 0      C-13-H3C(O)CH3
  984935.0974  0.1244 -5.1105 3 1630.6288E64  595161404911378 0    901477 0      C-13-H3C(O)CH3
  984965.0402  0.1213 -5.8332 3 1630.6415E64  595161404911378 1    901377 1      C-13-H3C(O)CH3
  984965.0402  0.1213 -5.8332 3 1630.6415E64  595161404911478 1    901477 1      C-13-H3C(O)CH3
  984965.0402  0.1213 -5.1368 3 1630.6415E64  595161404911478 1    901377 1      C-13-H3C(O)CH3
  984965.0402  0.1213 -5.1368 3 1630.6415E64  595161404911378 1    901477 1      C-13-H3C(O)CH3
  984966.1192  0.1249 -5.5615 3 1630.6415E64  595161404911478 2    901477 2      C-13-H3C(O)CH3
  984966.1192  0.1249 -5.2203 3 1630.6415E64  595161404911478 2    901377 2      C-13-H3C(O)CH3
  984966.1192  0.1249 -5.5615 3 1630.6415E64  595161404911378 2    901377 2      C-13-H3C(O)CH3
  984966.1192  0.1249 -5.2203 3 1630.6415E64  595161404911378 2    901477 2      C-13-H3C(O)CH3
  984972.7956  0.0724 -4.2265 3  883.4471920  595161404573622 1    563521 1      C-13-H3C(O)CH3
  984996.0928  0.1130 -5.3624 3 1630.6543732  595161404911378 3    901477 3      C-13-H3C(O)CH3
  984996.0928  0.1130 -5.3624 3 1630.6543732  595161404911478 3    901377 3      C-13-H3C(O)CH3
  984996.1311  0.1130 -5.5914 3 1630.6543732  595161404911378 4    901477 4      C-13-H3C(O)CH3
  984996.1311  0.1130 -5.7397 3 1630.6543732  595161404911378 4    901377 4      C-13-H3C(O)CH3
  984996.1311  0.1130 -5.5914 3 1630.6543732  595161404911478 4    901377 4      C-13-H3C(O)CH3
  984996.1311  0.1130 -5.7397 3 1630.6543732  595161404911478 4    901477 4      C-13-H3C(O)CH3
  985007.3175  0.0964 -4.2272 3  883.4467920  595161404573622 2    563521 2      C-13-H3C(O)CH3
  985091.4493  0.4053 -4.7307 3 1105.5066A32  595161404643827 0    633726 0      C-13-H3C(O)CH3
  985239.0781  0.0166 -3.9512 3  800.6283420  5951614045243 9 4    5142 9 4      C-13-H3C(O)CH3
  985247.3660  0.0127 -3.6501 3  800.6004840  595161404524310 2    5142 9 2      C-13-H3C(O)CH3
  985290.2011  0.0102 -3.6500 3  800.6066840 -5951614045243 9 1    5142 9 1      C-13-H3C(O)CH3
  985298.1591  0.0089 -3.6499 3  800.5786840 -595161404524310 0    5142 9 0      C-13-H3C(O)CH3
  985298.1591  0.0089 -3.6499 3  800.5786840 -5951614045243 9 0    514210 0      C-13-H3C(O)CH3
  985304.7287  0.0555 -4.5380 3  883.4541460  595161404573622 4    563521 4      C-13-H3C(O)CH3
  985305.4799  1.4870 -5.6280 3 1409.8734B60  595161404724329 1    714428 1      C-13-H3C(O)CH3
  985322.8404  0.0177 -3.9579 3  833.7891888  595161404553719 0    543618 0      C-13-H3C(O)CH3
  985335.9513  0.0917 -5.0534 3 1669.9284F76  59516140498 693 0    97 692 0      C-13-H3C(O)CH3
  985335.9513  0.0917 -5.0534 3 1669.9284F76  59516140498 593 0    97 592 0      C-13-H3C(O)CH3
  985342.7251  0.1206 -5.7559 3 1669.8956F76  59516140498 593 1    97 592 1      C-13-H3C(O)CH3
  985342.7251  0.1206 -5.1466 3 1669.8956F76  59516140498 593 1    97 692 1      C-13-H3C(O)CH3
  985342.7251  0.1206 -5.1466 3 1669.8956F76  59516140498 693 1    97 592 1      C-13-H3C(O)CH3
  985342.7251  0.1206 -5.7559 3 1669.8956F76  59516140498 693 1    97 692 1      C-13-H3C(O)CH3
  985342.8087  0.1166 -5.0975 3 1669.8955F76  59516140498 593 2    97 692 2      C-13-H3C(O)CH3
  985342.8087  0.1166 -5.0975 3 1669.8955F76  59516140498 693 2    97 592 2      C-13-H3C(O)CH3
  985349.5732  0.0751 -5.9222 3 1669.8627788  59516140498 693 4    97 692 4      C-13-H3C(O)CH3
  985349.5732  0.0751 -5.4882 3 1669.8627788  59516140498 693 4    97 592 4      C-13-H3C(O)CH3
  985349.5732  0.0751 -5.4882 3 1669.8627788  59516140498 593 4    97 692 4      C-13-H3C(O)CH3
  985349.5732  0.0751 -5.9222 3 1669.8627788  59516140498 593 4    97 592 4      C-13-H3C(O)CH3
  985349.5893  0.0751 -5.4837 3 1669.8628788  59516140498 593 3    97 592 3      C-13-H3C(O)CH3
  985349.5893  0.0751 -5.7737 3 1669.8628788  59516140498 593 3    97 692 3      C-13-H3C(O)CH3
  985349.5893  0.0751 -5.9348 3 1669.8628788  59516140498 693 3    97 592 3      C-13-H3C(O)CH3
  985349.5893  0.0751 -5.5588 3 1669.8628788  59516140498 693 3    97 692 3      C-13-H3C(O)CH3
  985350.2374  0.0156 -3.9511 3  800.6284420  5951614045243 9 3    5142 9 3      C-13-H3C(O)CH3
  985355.0782  0.0166 -3.9511 3  800.6119420  595161404524310 3    514210 3      C-13-H3C(O)CH3
  985358.7196  0.0109 -3.6500 3  800.6003840  5951614045243 9 2    514210 2      C-13-H3C(O)CH3
  985406.4724  0.0098 -3.6499 3  800.5901840 -595161404524310 1    514210 1      C-13-H3C(O)CH3
  985434.9933  0.1613 -5.3603 3 1556.9961D52  595161404842163 0    832162 0      C-13-H3C(O)CH3
  985434.9933  0.1613 -5.3603 3 1556.9961D52  595161404842263 0    832262 0      C-13-H3C(O)CH3
  985434.9933  0.1613 -5.2701 3 1556.9961D52  595161404842263 0    832162 0      C-13-H3C(O)CH3
  985434.9933  0.1613 -5.2701 3 1556.9961D52  595161404842163 0    832262 0      C-13-H3C(O)CH3
  985437.0078  0.1692 -5.0191 3 1557.0174D52  595161404842263 1    832162 1      C-13-H3C(O)CH3
  985437.0078  0.1692 -5.0128 3 1557.0174D52  595161404842163 1    832262 1      C-13-H3C(O)CH3
  985441.3605  0.1712 -5.3242 3 1557.0192D52  595161404842163 2    832262 2      C-13-H3C(O)CH3
  985441.3605  0.1712 -5.3019 3 1557.0192D52  595161404842163 2    832162 2      C-13-H3C(O)CH3
  985441.3605  0.1712 -5.3242 3 1557.0192D52  595161404842263 2    832162 2      C-13-H3C(O)CH3
  985441.3605  0.1712 -5.3019 3 1557.0192D52  595161404842263 2    832262 2      C-13-H3C(O)CH3
  985443.3902  0.1271 -5.3505 3 1557.0405676  595161404842163 3    832262 3      C-13-H3C(O)CH3
  985443.3902  0.1271 -5.3505 3 1557.0405676  595161404842263 3    832162 3      C-13-H3C(O)CH3
  985443.3998  0.1271 -5.3377 3 1557.0406676  595161404842163 4    832162 4      C-13-H3C(O)CH3
  985443.3998  0.1271 -5.3377 3 1557.0406676  595161404842263 4    832262 4      C-13-H3C(O)CH3
  985466.8606  0.0156 -3.9511 3  800.6118420  595161404524310 4    514210 4      C-13-H3C(O)CH3
  985521.2409  0.1178 -4.4719 3  833.8522444  595161404553719 3    543618 3      C-13-H3C(O)CH3
  985555.8627  0.0957 -5.1676 3 1363.3346588  595161404733340 4    723439 4      C-13-H3C(O)CH3
  985555.8631  0.0957 -5.1676 3 1363.3346588  595161404733440 4    723339 4      C-13-H3C(O)CH3
  985555.8907  0.0957 -5.1676 3 1363.3346588  595161404733340 3    723439 3      C-13-H3C(O)CH3
  985555.8911  0.0957 -5.1676 3 1363.3346588  595161404733440 3    723339 3      C-13-H3C(O)CH3
  985563.3429  0.1046 -4.8665 3 1363.3159B76  595161404733340 1    723439 1      C-13-H3C(O)CH3
  985563.3433  0.1046 -4.8665 3 1363.3159B76  595161404733440 1    723339 1      C-13-H3C(O)CH3
  985563.8407  0.1052 -4.5217 3  883.4507460  595161404573622 3    563521 3      C-13-H3C(O)CH3
  985564.8709  0.1065 -4.8666 3 1363.3185B76  595161404733340 2    723439 2      C-13-H3C(O)CH3
  985564.8711  0.1065 -4.8666 3 1363.3185B76  595161404733440 2    723339 2      C-13-H3C(O)CH3
  985572.3185  0.1055 -4.8665 3 1363.2998B76  595161404733340 0    723439 0      C-13-H3C(O)CH3
  985572.3188  0.1055 -4.8665 3 1363.2998B76  595161404733440 0    723339 0      C-13-H3C(O)CH3
  985634.4745  0.0912 -5.1555 3 1340.5437580  595161404723438 4    713537 4      C-13-H3C(O)CH3
  985634.4919  0.0912 -5.1555 3 1340.5437580  595161404723538 4    713437 4      C-13-H3C(O)CH3
  985634.5018  0.0912 -5.1555 3 1340.5436580  595161404723438 3    713537 3      C-13-H3C(O)CH3
  985634.5192  0.0912 -5.1555 3 1340.5436580  595161404723538 3    713437 3      C-13-H3C(O)CH3
  985639.6279  0.0980 -4.8544 3 1340.5255B60  595161404723438 1    713537 1      C-13-H3C(O)CH3
  985639.6448  0.0980 -4.8544 3 1340.5255B60  595161404723538 1    713437 1      C-13-H3C(O)CH3
  985640.5132  0.1001 -4.8544 3 1340.5283B60  595161404723438 2    713537 2      C-13-H3C(O)CH3
  985640.5270  0.1001 -4.8544 3 1340.5283B60  595161404723538 2    713437 2      C-13-H3C(O)CH3
  985645.0065  0.0181 -3.9859 3  833.8377888  595161404553718 2    543618 2      C-13-H3C(O)CH3
  985645.6380  0.0992 -4.8543 3 1340.5102B60  595161404723438 0    713537 0      C-13-H3C(O)CH3
  985645.6514  0.0992 -4.8543 3 1340.5102B60  595161404723538 0    713437 0      C-13-H3C(O)CH3
  985653.7739  0.0182 -4.0007 3  833.8276888  595161404553718 1    543618 1      C-13-H3C(O)CH3
  985714.6090  0.0233 -4.2674 3  833.8813444  595161404553718 4    543618 4      C-13-H3C(O)CH3
  985757.8069  0.4842 -4.7306 3 1105.4971A32  595161404643827 2    633726 2      C-13-H3C(O)CH3
  985765.7127  0.1001 -5.1818 3 1385.4655596  595161404743242 4    733341 4      C-13-H3C(O)CH3
  985765.7128  0.1001 -5.1818 3 1385.4655596  595161404743342 4    733241 4      C-13-H3C(O)CH3
  985765.7399  0.1001 -5.1818 3 1385.4654596  595161404743242 3    733341 3      C-13-H3C(O)CH3
  985765.7399  0.1001 -5.1818 3 1385.4654596  595161404743342 3    733241 3      C-13-H3C(O)CH3
  985774.4816  0.1113 -4.8808 3 1385.4462B92  595161404743242 1    733341 1      C-13-H3C(O)CH3
  985774.4816  0.1113 -4.8808 3 1385.4462B92  595161404743342 1    733241 1      C-13-H3C(O)CH3
  985776.5654  0.1130 -4.8813 3 1385.4488B92  595161404743342 2    733241 2      C-13-H3C(O)CH3
  985776.5654  0.1130 -4.8813 3 1385.4488B92  595161404743242 2    733341 2      C-13-H3C(O)CH3
  985785.3017  0.1120 -4.8808 3 1385.4296B92  595161404743342 0    733241 0      C-13-H3C(O)CH3
  985785.3017  0.1120 -4.8808 3 1385.4296B92  595161404743242 0    733341 0      C-13-H3C(O)CH3
  985790.2572  0.0325 -4.6686 3  833.8522444  595161404553718 3    543618 3      C-13-H3C(O)CH3
  985856.3370  0.0171 -4.0000 3  833.7925888 -595161404553719 1    543619 1      C-13-H3C(O)CH3
  985876.8926  0.0168 -3.9851 3  833.7953888 -595161404553719 2    543619 2      C-13-H3C(O)CH3
  985926.4441  0.3586 -4.7304 3 1105.4897A32  595161404643827 1    633726 1      C-13-H3C(O)CH3
  985930.5631  0.0176 -3.9574 3  833.7752888  595161404553718 0    543619 0      C-13-H3C(O)CH3
  985988.0706  0.0302 -4.6683 3  833.8366444  595161404553719 3    543619 3      C-13-H3C(O)CH3
  986063.9448  0.0220 -4.2659 3  833.8076444  595161404553719 4    543619 4      C-13-H3C(O)CH3
  986078.6885  2.0198 -5.6265 3 1409.8677B60  595161404724329 2    714428 2      C-13-H3C(O)CH3
  986118.1193  0.1172 -5.7542 3 1641.4962E80  595161404921380 0    911379 0      C-13-H3C(O)CH3
  986118.1193  0.1172 -5.1659 3 1641.4962E80  595161404921380 0    911279 0      C-13-H3C(O)CH3
  986118.1193  0.1172 -5.7542 3 1641.4962E80  595161404921280 0    911279 0      C-13-H3C(O)CH3
  986118.1193  0.1172 -5.1659 3 1641.4962E80  595161404921280 0    911379 0      C-13-H3C(O)CH3
  986141.5751  0.0865 -5.1467 3 1317.0537572  595161404713536 4    703635 4      C-13-H3C(O)CH3
  986141.5975  0.0865 -5.1467 3 1317.0537572  595161404713536 3    703635 3      C-13-H3C(O)CH3
  986142.2603  0.0864 -5.1467 3 1317.0537572  595161404713636 4    703535 4      C-13-H3C(O)CH3
  986142.2849  0.0865 -5.1467 3 1317.0537572  595161404713636 3    703535 3      C-13-H3C(O)CH3
  986142.7495  0.0915 -4.8457 3 1317.0363B44  595161404713536 1    703635 1      C-13-H3C(O)CH3
  986142.8644  0.0938 -4.8457 3 1317.0393B44  595161404713536 2    703635 2      C-13-H3C(O)CH3
  986143.4115  0.0915 -4.8457 3 1317.0363B44  595161404713636 1    703535 1      C-13-H3C(O)CH3
  986143.4524  0.0938 -4.8457 3 1317.0393B44  595161404713636 2    703535 2      C-13-H3C(O)CH3
  986144.0222  0.0929 -4.8456 3 1317.0220B44  595161404713536 0    703635 0      C-13-H3C(O)CH3
  986144.5881  0.0930 -4.8456 3 1317.0219B44  595161404713636 0    703535 0      C-13-H3C(O)CH3
  986150.4589  0.1145 -5.5723 3 1641.5055E80  595161404921280 1    911279 1      C-13-H3C(O)CH3
  986150.4589  0.1145 -5.2285 3 1641.5055E80  595161404921380 1    911279 1      C-13-H3C(O)CH3
  986150.4589  0.1145 -5.5723 3 1641.5055E80  595161404921380 1    911379 1      C-13-H3C(O)CH3
  986150.4589  0.1145 -5.2285 3 1641.5055E80  595161404921280 1    911379 1      C-13-H3C(O)CH3
  986151.1061  0.1156 -5.1443 3 1641.5054E80  595161404921280 2    911379 2      C-13-H3C(O)CH3
  986151.1061  0.1156 -5.0944 3 1641.5054E80  595161404921380 2    911279 2      C-13-H3C(O)CH3
  986151.1061  0.1156 -5.8502 3 1641.5054E80  595161404921280 2    911279 2      C-13-H3C(O)CH3
  986179.1383  0.1044 -5.2050 3 1406.9634604  595161404753244 4    743243 4      C-13-H3C(O)CH3
  986179.1383  0.1044 -5.2114 3 1406.9634604  595161404753144 4    743143 4      C-13-H3C(O)CH3
  986179.1637  0.1044 -5.2052 3 1406.9633604  595161404753144 3    743243 3      C-13-H3C(O)CH3
  986179.1637  0.1044 -5.2054 3 1406.9633604  595161404753244 3    743143 3      C-13-H3C(O)CH3
  986183.4753  0.1106 -5.8034 3 1641.5147740  595161404921280 3    911379 3      C-13-H3C(O)CH3
  986183.4753  0.1106 -5.5654 3 1641.5147740  595161404921380 3    911379 3      C-13-H3C(O)CH3
  986183.4753  0.1106 -5.8034 3 1641.5147740  595161404921380 3    911279 3      C-13-H3C(O)CH3
  986183.4753  0.1106 -5.5654 3 1641.5147740  595161404921280 3    911279 3      C-13-H3C(O)CH3
  986183.5158  0.1106 -5.4386 3 1641.5147740  595161404921280 4    911379 4      C-13-H3C(O)CH3
  986183.5158  0.1106 -5.4386 3 1641.5147740  595161404921380 4    911279 4      C-13-H3C(O)CH3
  986188.4816  0.1183 -4.8965 3 1406.9436C08  595161404753244 1    743143 1      C-13-H3C(O)CH3
  986188.4816  0.1183 -4.8966 3 1406.9436C08  595161404753144 1    743243 1      C-13-H3C(O)CH3
  986191.0610  0.1196 -5.2362 3 1406.9462C08  595161404753244 2    743243 2      C-13-H3C(O)CH3
  986191.0610  0.1196 -5.1619 3 1406.9462C08  595161404753144 2    743243 2      C-13-H3C(O)CH3
  986191.0610  0.1196 -4.9075 3 1406.9462C08  595161404753144 2    743143 2      C-13-H3C(O)CH3
  986200.3739  0.1186 -5.3872 3 1406.9266C08  595161404753144 0    743143 0      C-13-H3C(O)CH3
  986200.3739  0.1186 -5.0869 3 1406.9266C08  595161404753144 0    743243 0      C-13-H3C(O)CH3
  986200.3739  0.1186 -5.0658 3 1406.9266C08  595161404753244 0    743143 0      C-13-H3C(O)CH3
  986200.3739  0.1186 -5.3460 3 1406.9266C08  595161404753244 0    743243 0      C-13-H3C(O)CH3
  986257.0870  0.1214 -4.4714 3  833.8366444  595161404553718 3    543619 3      C-13-H3C(O)CH3
  986432.8133  0.0160 -4.0274 3  809.5722428  595161404534112 4    524012 4      C-13-H3C(O)CH3
  986453.7344  0.0124 -3.7263 3  809.5423856  595161404534113 2    524012 2      C-13-H3C(O)CH3
  986476.8856  0.0265 -5.9146 3  337.4273276  5951614043430 5 4    3327 7 4      C-13-H3C(O)CH3
  986495.9892  0.1629 -5.0266 3 1572.1931D68  595161404852065 0    842064 0      C-13-H3C(O)CH3
  986495.9892  0.1629 -5.0266 3 1572.1931D68  595161404852165 0    842164 0      C-13-H3C(O)CH3
  986500.6137  0.0097 -3.7261 3  809.5365856 -595161404534112 1    524012 1      C-13-H3C(O)CH3
  986500.8660  0.1710 -5.1297 3 1572.2145D68  595161404852065 1    842164 1      C-13-H3C(O)CH3
  986500.8660  0.1710 -5.7019 3 1572.2145D68  595161404852165 1    842164 1      C-13-H3C(O)CH3
  986500.8660  0.1710 -5.0553 3 1572.2145D68  595161404852165 1    842064 1      C-13-H3C(O)CH3
  986505.0413  0.1738 -5.2043 3 1572.2162D68  595161404852165 2    842164 2      C-13-H3C(O)CH3
  986505.0413  0.1738 -5.1794 3 1572.2162D68  595161404852165 2    842064 2      C-13-H3C(O)CH3
  986505.0413  0.1738 -5.0309 3 1572.2162D68  595161404852065 2    842164 2      C-13-H3C(O)CH3
  986505.0413  0.1738 -5.0280 3 1572.2162D68  595161404852065 2    842064 2      C-13-H3C(O)CH3
  986509.9357  0.1280 -5.5271 3 1572.2376684  595161404852065 3    842064 3      C-13-H3C(O)CH3
  986509.9357  0.1280 -5.4161 3 1572.2376684  595161404852165 3    842064 3      C-13-H3C(O)CH3
  986509.9357  0.1280 -5.7617 3 1572.2376684  595161404852065 3    842164 3      C-13-H3C(O)CH3
  986509.9490  0.1280 -5.3379 3 1572.2377684  595161404852165 4    842164 4      C-13-H3C(O)CH3
  986509.9490  0.1280 -5.3379 3 1572.2377684  595161404852065 4    842064 4      C-13-H3C(O)CH3
  986521.3191  0.0077 -3.7259 3  809.5065856 -595161404534112 0    524013 0      C-13-H3C(O)CH3
  986521.3191  0.0077 -3.7259 3  809.5065856 -595161404534113 0    524012 0      C-13-H3C(O)CH3
  986562.2894  0.0160 -4.0273 3  809.5607428  595161404534113 3    524013 3      C-13-H3C(O)CH3
  986588.5262  0.0144 -4.0272 3  809.5699428  595161404534112 3    524012 3      C-13-H3C(O)CH3
  986593.1297  0.3965 -5.0312 3 1105.4802516  595161404643827 4    633726 4      C-13-H3C(O)CH3
  986602.8190  0.4081 -5.0312 3 1105.4800516  595161404643827 3    633726 3      C-13-H3C(O)CH3
  986609.3105  0.0107 -3.7260 3  809.5399856  595161404534112 2    524013 2      C-13-H3C(O)CH3
  986629.9163  0.0097 -3.7260 3  809.5249856 -595161404534113 1    524013 1      C-13-H3C(O)CH3
  986632.2891  0.0629 -5.7099 3 1676.4666796  59516140499 595 4    98 494 4      C-13-H3C(O)CH3
  986632.2891  0.0629 -5.6069 3 1676.4666796  59516140499 495 4    98 494 4      C-13-H3C(O)CH3
  986632.2891  0.0629 -5.7099 3 1676.4666796  59516140499 495 4    98 594 4      C-13-H3C(O)CH3
  986632.2891  0.0629 -5.6069 3 1676.4666796  59516140499 595 4    98 594 4      C-13-H3C(O)CH3
  986632.3239  0.0629 -5.3566 3 1676.4666796  59516140499 495 3    98 594 3      C-13-H3C(O)CH3
  986632.3239  0.0629 -5.3566 3 1676.4666796  59516140499 595 3    98 494 3      C-13-H3C(O)CH3
  986636.3770  0.0964 -5.0644 3 1676.5020F92  59516140499 595 1    98 494 1      C-13-H3C(O)CH3
  986636.3770  0.0964 -5.0644 3 1676.5020F92  59516140499 495 1    98 594 1      C-13-H3C(O)CH3
  986636.4881  0.0954 -5.2603 3 1676.5018F92  59516140499 595 2    98 594 2      C-13-H3C(O)CH3
  986636.4881  0.0954 -5.4745 3 1676.5018F92  59516140499 495 2    98 594 2      C-13-H3C(O)CH3
  986636.4881  0.0954 -5.2603 3 1676.5018F92  59516140499 495 2    98 494 2      C-13-H3C(O)CH3
  986636.4881  0.0954 -5.4745 3 1676.5018F92  59516140499 595 2    98 494 2      C-13-H3C(O)CH3
  986640.5542  0.0758 -5.3967 3 1676.5372F92  59516140499 595 0    98 594 0      C-13-H3C(O)CH3
  986640.5542  0.0758 -5.3159 3 1676.5372F92  59516140499 595 0    98 494 0      C-13-H3C(O)CH3
  986640.5542  0.0758 -5.3159 3 1676.5372F92  59516140499 495 0    98 594 0      C-13-H3C(O)CH3
  986640.5542  0.0758 -5.3967 3 1676.5372F92  59516140499 495 0    98 494 0      C-13-H3C(O)CH3
  986657.2982  0.0164 -4.1345 3  580.3275760  595161404472721 0    462422 0      C-13-H3C(O)CH3
  986658.3589  1.5858 -5.6254 3 1409.8500B60  595161404724329 0    714428 0      C-13-H3C(O)CH3
  986705.9306  0.1207 -4.9826 3  833.7925888  595161404553718 1    543619 1      C-13-H3C(O)CH3
  986718.3241  0.0151 -4.0271 3  809.5584428  595161404534113 4    524013 4      C-13-H3C(O)CH3
  986737.5632  0.0224 -4.1344 3  580.3084760  595161404472721 2    462422 2      C-13-H3C(O)CH3
  986741.5178  0.1086 -5.2141 3 1427.8482612  595161404763046 4    753045 4      C-13-H3C(O)CH3
  986741.5178  0.1086 -5.2141 3 1427.8482612  595161404763146 4    753145 4      C-13-H3C(O)CH3
  986741.5410  0.1086 -5.2587 3 1427.8481612  595161404763046 3    753145 3      C-13-H3C(O)CH3
  986741.5410  0.1086 -5.2587 3 1427.8481612  595161404763146 3    753045 3      C-13-H3C(O)CH3
  986748.2261  0.0172 -4.1343 3  580.3115760  595161404472721 1    462422 1      C-13-H3C(O)CH3
  986750.9050  0.1254 -4.9915 3 1427.8280C24  595161404763146 1    753045 1      C-13-H3C(O)CH3
  986750.9050  0.1254 -5.6947 3 1427.8280C24  595161404763046 1    753045 1      C-13-H3C(O)CH3
  986750.9050  0.1254 -4.9915 3 1427.8280C24  595161404763046 1    753145 1      C-13-H3C(O)CH3
  986750.9050  0.1254 -5.6947 3 1427.8280C24  595161404763146 1    753145 1      C-13-H3C(O)CH3
  986753.9307  0.1263 -5.3950 3 1427.8306C24  595161404763046 2    753045 2      C-13-H3C(O)CH3
  986753.9307  0.1263 -5.0867 3 1427.8306C24  595161404763046 2    753145 2      C-13-H3C(O)CH3
  986753.9307  0.1263 -5.3950 3 1427.8306C24  595161404763146 2    753145 2      C-13-H3C(O)CH3
  986753.9307  0.1263 -5.0867 3 1427.8306C24  595161404763146 2    753045 2      C-13-H3C(O)CH3
  986755.6428  0.0251 -5.9118 3  337.4269276  5951614043430 5 3    3327 7 3      C-13-H3C(O)CH3
  986763.2907  0.1251 -4.9224 3 1427.8105C24  595161404763146 0    753145 0      C-13-H3C(O)CH3
  986763.2907  0.1251 -5.4735 3 1427.8105C24  595161404763046 0    753145 0      C-13-H3C(O)CH3
  986763.2907  0.1251 -5.0527 3 1427.8105C24  595161404763046 0    753045 0      C-13-H3C(O)CH3
  986828.1196  0.0238 -4.4352 3  580.2923380  595161404472721 4    462422 4      C-13-H3C(O)CH3
  986830.7274  0.0235 -4.4352 3  580.2924380  595161404472721 3    462422 3      C-13-H3C(O)CH3
  986864.3641  0.0211 -5.6173 3  337.4748552  5951614043430 5 2    3327 6 2      C-13-H3C(O)CH3
  986883.1109  0.0224 -5.6152 3  337.4569552  5951614043430 5 1    3327 7 1      C-13-H3C(O)CH3
  986908.4913  0.0159 -4.1239 3  820.5364436  595161404543915 4    533815 4      C-13-H3C(O)CH3
  986915.4616  0.0124 -3.8227 3  820.4978872 -595161404543915 2    533815 2      C-13-H3C(O)CH3
  986917.9262  0.1605 -5.1565 3  833.7953888  595161404553718 2    543619 2      C-13-H3C(O)CH3
  986950.5074  0.0122 -3.8225 3  820.4857872  595161404543915 1    533815 1      C-13-H3C(O)CH3
  986956.9109  0.0105 -3.8223 3  820.4471872  595161404543916 0    533815 0      C-13-H3C(O)CH3
  986958.6426  0.0105 -3.8223 3  820.4470872  595161404543915 0    533816 0      C-13-H3C(O)CH3
  987056.8654  0.0170 -4.1236 3  820.5195436  595161404543916 3    533815 3      C-13-H3C(O)CH3
  987097.5715  0.0166 -4.1234 3  820.5184436  595161404543915 3    533816 3      C-13-H3C(O)CH3
  987098.7490  0.0119 -3.8222 3  820.4688872  595161404543916 1    533816 1      C-13-H3C(O)CH3
  987104.7601  0.0125 -3.8221 3  820.4798872 -595161404543916 2    533816 2      C-13-H3C(O)CH3
  987119.1714  0.0253 -5.9148 3  337.4327276  5951614043430 4 3    3327 6 3      C-13-H3C(O)CH3
  987143.0068  0.0221 -5.6144 3  337.4743552  5951614043430 4 2    3327 7 2      C-13-H3C(O)CH3
  987244.9496  0.0099 -4.1052 3  514.4398728  595161404452223 0    442124 0      C-13-H3C(O)CH3
  987245.9733  0.0191 -4.1231 3  820.5015436  595161404543916 4    533816 4      C-13-H3C(O)CH3
  987253.8491  0.0099 -4.1052 3  514.4398728  595161404452323 0    442024 0      C-13-H3C(O)CH3
  987275.1397  0.0220 -5.6188 3  337.5042552  5951614043430 5 0    3327 6 0      C-13-H3C(O)CH3
  987275.1482  0.0220 -5.6188 3  337.5042552  5951614043430 4 0    3327 7 0      C-13-H3C(O)CH3
  987275.3753  0.0103 -5.2670 3  367.8907332  595161404411329 4    401130 4      C-13-H3C(O)CH3
  987275.3753  0.0103 -4.6982 3  367.8907332  595161404411329 4    401030 4      C-13-H3C(O)CH3
  987275.3753  0.0103 -5.2670 3  367.8907332  595161404411229 4    401030 4      C-13-H3C(O)CH3
  987275.3753  0.0103 -4.6982 3  367.8907332  595161404411229 4    401130 4      C-13-H3C(O)CH3
  987275.8549  0.0100 -4.6086 3  367.8908332  595161404411329 3    401030 3      C-13-H3C(O)CH3
  987275.8549  0.0100 -4.6086 3  367.8908332  595161404411229 3    401130 3      C-13-H3C(O)CH3
  987310.0202  0.0867 -4.8423 3 1292.7768B28  595161404703634 0    693733 0      C-13-H3C(O)CH3
  987315.5034  0.1115 -5.0775 3 1651.8340E96  595161404931182 0    921181 0      C-13-H3C(O)CH3
  987315.5034  0.1115 -5.0775 3 1651.8340E96  595161404931282 0    921281 0      C-13-H3C(O)CH3
  987315.5141  0.0874 -4.8424 3 1292.7931B28  595161404703634 2    693733 2      C-13-H3C(O)CH3
  987315.9405  0.0851 -4.8424 3 1292.7898B28  595161404703634 1    693733 1      C-13-H3C(O)CH3
  987321.4316  0.0816 -5.1435 3 1292.8061564  595161404703634 3    693733 3      C-13-H3C(O)CH3
  987321.4364  0.0815 -5.1435 3 1292.8061564  595161404703634 4    693733 4      C-13-H3C(O)CH3
  987328.4705  0.0141 -4.1050 3  514.4158728  595161404452223 2    442124 2      C-13-H3C(O)CH3
  987328.8062  0.0872 -4.8423 3 1292.7763B28  595161404703734 0    693633 0      C-13-H3C(O)CH3
  987335.0139  0.0869 -4.8424 3 1292.7926B28  595161404703734 2    693633 2      C-13-H3C(O)CH3
  987336.8108  0.0852 -4.8424 3 1292.7892B28  595161404703734 1    693633 1      C-13-H3C(O)CH3
  987338.0326  0.0140 -4.1050 3  514.4158728  595161404452323 2    442024 2      C-13-H3C(O)CH3
  987339.8610  0.0102 -4.1049 3  514.4179728  595161404452223 1    442124 1      C-13-H3C(O)CH3
  987343.0533  0.0805 -5.1435 3 1292.8055564  595161404703734 4    693633 4      C-13-H3C(O)CH3
  987343.0828  0.0805 -5.1435 3 1292.8055564  595161404703734 3    693633 3      C-13-H3C(O)CH3
  987348.0917  0.0360 -5.4274 3  855.4074904  595161404563620 1    553520 1      C-13-H3C(O)CH3
  987349.1815  0.0102 -4.1049 3  514.4179728  595161404452323 1    442024 1      C-13-H3C(O)CH3
  987349.3831  0.1121 -5.1875 3 1651.8391E96  595161404931282 1    921181 1      C-13-H3C(O)CH3
  987349.3831  0.1121 -5.7146 3 1651.8391E96  595161404931282 1    921281 1      C-13-H3C(O)CH3
  987349.3831  0.1121 -5.1875 3 1651.8391E96  595161404931182 1    921281 1      C-13-H3C(O)CH3
  987349.3831  0.1121 -5.7146 3 1651.8391E96  595161404931182 1    921181 1      C-13-H3C(O)CH3
  987349.6678  0.1097 -5.0763 3 1651.8389E96  595161404931282 2    921281 2      C-13-H3C(O)CH3
  987349.6678  0.1097 -5.0763 3 1651.8389E96  595161404931182 2    921181 2      C-13-H3C(O)CH3
  987371.6869  0.0099 -4.4936 3  367.9152664  595161404411329 2    401030 2      C-13-H3C(O)CH3
  987371.6869  0.0099 -4.7261 3  367.9152664  595161404411329 2    401130 2      C-13-H3C(O)CH3
  987371.6869  0.0099 -4.7261 3  367.9152664  595161404411229 2    401030 2      C-13-H3C(O)CH3
  987371.6869  0.0099 -4.4936 3  367.9152664  595161404411229 2    401130 2      C-13-H3C(O)CH3
  987376.9542  0.0101 -5.3772 3  367.9161664  595161404411229 1    401030 1      C-13-H3C(O)CH3
  987376.9542  0.0101 -4.3308 3  367.9161664  595161404411329 1    401030 1      C-13-H3C(O)CH3
  987376.9542  0.0101 -5.3772 3  367.9161664  595161404411329 1    401130 1      C-13-H3C(O)CH3
  987376.9542  0.0101 -4.3308 3  367.9161664  595161404411229 1    401130 1      C-13-H3C(O)CH3
  987383.5740  0.1082 -5.6595 3 1651.8439748  595161404931282 3    921181 3      C-13-H3C(O)CH3
  987383.5740  0.1082 -5.6595 3 1651.8439748  595161404931182 3    921281 3      C-13-H3C(O)CH3
  987383.5740  0.1082 -5.6943 3 1651.8439748  595161404931182 3    921181 3      C-13-H3C(O)CH3
  987383.5740  0.1082 -5.6943 3 1651.8439748  595161404931282 3    921281 3      C-13-H3C(O)CH3
  987383.6160  0.1083 -5.4306 3 1651.8439748  595161404931182 4    921181 4      C-13-H3C(O)CH3
  987383.6160  0.1083 -5.4306 3 1651.8439748  595161404931282 4    921281 4      C-13-H3C(O)CH3
  987384.0852  0.0461 -5.2922 3  855.4092904  595161404563620 2    553520 2      C-13-H3C(O)CH3
  987395.3996  0.0279 -5.9119 3  337.4322276  5951614043430 4 4    3327 6 4      C-13-H3C(O)CH3
  987416.0940  0.1127 -5.9224 3 1448.1349620  595161404772948 4    762947 4      C-13-H3C(O)CH3
  987416.0940  0.1127 -5.3788 3 1448.1349620  595161404773048 4    763047 4      C-13-H3C(O)CH3
  987416.1146  0.1127 -5.2895 3 1448.1349620  595161404772948 3    763047 3      C-13-H3C(O)CH3
  987416.1146  0.1127 -5.2895 3 1448.1349620  595161404773048 3    762947 3      C-13-H3C(O)CH3
  987423.5585  0.0152 -4.4057 3  514.3939364  595161404452223 3    442124 3      C-13-H3C(O)CH3
  987423.7177  0.0153 -4.4057 3  514.3939364  595161404452223 4    442124 4      C-13-H3C(O)CH3
  987425.1044  0.1326 -5.0562 3 1448.1144C40  595161404773048 1    762947 1      C-13-H3C(O)CH3
  987425.1044  0.1326 -5.5288 3 1448.1144C40  595161404773048 1    763047 1      C-13-H3C(O)CH3
  987425.1044  0.1326 -5.0562 3 1448.1144C40  595161404772948 1    763047 1      C-13-H3C(O)CH3
  987425.1044  0.1326 -5.5288 3 1448.1144C40  595161404772948 1    762947 1      C-13-H3C(O)CH3
  987428.5308  0.1332 -5.1176 3 1448.1169C40  595161404773048 2    762947 2      C-13-H3C(O)CH3
  987428.5308  0.1332 -5.3853 3 1448.1169C40  595161404773048 2    763047 2      C-13-H3C(O)CH3
  987428.5308  0.1332 -5.3853 3 1448.1169C40  595161404772948 2    762947 2      C-13-H3C(O)CH3
  987428.5308  0.1332 -5.1176 3 1448.1169C40  595161404772948 2    763047 2      C-13-H3C(O)CH3
  987433.5769  0.0152 -4.4056 3  514.3939364  595161404452323 3    442024 3      C-13-H3C(O)CH3
  987433.7004  0.0153 -4.4056 3  514.3939364  595161404452323 4    442024 4      C-13-H3C(O)CH3
  987437.5182  0.1316 -4.9372 3 1448.0964C40  595161404772948 0    762947 0      C-13-H3C(O)CH3
  987437.5182  0.1316 -5.1128 3 1448.0964C40  595161404772948 0    763047 0      C-13-H3C(O)CH3
  987437.5182  0.1316 -5.3942 3 1448.0964C40  595161404773048 0    763047 0      C-13-H3C(O)CH3
  987472.6540  0.0085 -4.3129 3  367.9406664  595161404411329 0    401030 0      C-13-H3C(O)CH3
  987472.6540  0.0085 -5.6526 3  367.9406664  595161404411329 0    401130 0      C-13-H3C(O)CH3
  987472.6540  0.0085 -4.3129 3  367.9406664  595161404411229 0    401130 0      C-13-H3C(O)CH3
  987472.6540  0.0085 -5.6526 3  367.9406664  595161404411229 0    401030 0      C-13-H3C(O)CH3
  987525.4823  0.0223 -5.6153 3  337.4621552  5951614043430 4 1    3327 6 1      C-13-H3C(O)CH3
  987576.1483  0.1632 -5.2012 3 1586.8472D84  595161404861967 0    851966 0      C-13-H3C(O)CH3
  987576.1483  0.1632 -5.5510 3 1586.8472D84  595161404862067 0    851966 0      C-13-H3C(O)CH3
  987576.1483  0.1632 -5.2012 3 1586.8472D84  595161404862067 0    852066 0      C-13-H3C(O)CH3
  987576.1483  0.1632 -5.5510 3 1586.8472D84  595161404861967 0    852066 0      C-13-H3C(O)CH3
  987584.1614  0.1712 -5.2364 3 1586.8686D84  595161404861967 1    852066 1      C-13-H3C(O)CH3
  987584.1614  0.1712 -5.4814 3 1586.8686D84  595161404861967 1    851966 1      C-13-H3C(O)CH3
  987584.1614  0.1712 -5.2364 3 1586.8686D84  595161404862067 1    851966 1      C-13-H3C(O)CH3
  987584.1614  0.1712 -5.4814 3 1586.8686D84  595161404862067 1    852066 1      C-13-H3C(O)CH3
  987588.0796  0.1748 -5.0502 3 1586.8700D84  595161404861967 2    851966 2      C-13-H3C(O)CH3
  987588.0796  0.1748 -5.0502 3 1586.8700D84  595161404862067 2    852066 2      C-13-H3C(O)CH3
  987596.1127  0.1285 -5.3458 3 1586.8914692  595161404862067 3    851966 3      C-13-H3C(O)CH3
  987596.1127  0.1285 -5.3458 3 1586.8914692  595161404861967 3    852066 3      C-13-H3C(O)CH3
  987596.1295  0.1285 -5.3629 3 1586.8914692  595161404862067 4    851966 4      C-13-H3C(O)CH3
  987596.1295  0.1285 -5.3629 3 1586.8914692  595161404861967 4    852066 4      C-13-H3C(O)CH3
  987697.1077  0.0621 -5.1171 3  855.4296452  595161404563620 4    553520 4      C-13-H3C(O)CH3
  987727.4358  0.0245 -3.5319 3  797.3974808  5951614045048 2 1    4947 2 1      C-13-H3C(O)CH3
  987739.4969  0.0228 -3.5318 3  797.3370808  5951614045048 3 0    4947 3 0      C-13-H3C(O)CH3
  987739.4969  0.0228 -3.5318 3  797.3370808  5951614045048 2 0    4947 2 0      C-13-H3C(O)CH3
  987785.5122  0.0299 -3.8330 3  797.4368404  5951614045048 2 4    4947 2 4      C-13-H3C(O)CH3
  987796.9962  0.0246 -3.5318 3  797.3764808  5951614045048 2 2    4947 2 2      C-13-H3C(O)CH3
  987883.6761  0.0341 -3.8328 3  797.3940404  5951614045048 3 3    4947 3 3      C-13-H3C(O)CH3
  987895.3409  0.0295 -3.5317 3  797.3337808  5951614045048 3 2    4947 3 2      C-13-H3C(O)CH3
  987923.8473  0.0277 -3.5317 3  797.3620808  5951614045048 3 1    4947 3 1      C-13-H3C(O)CH3
  987924.2778  0.2209 -5.9594 3  833.8076444  595161404553718 4    543619 4      C-13-H3C(O)CH3
  987929.9281  0.0477 -5.3562 3 1682.5517804  595161404A0 497 4    99 496 4      C-13-H3C(O)CH3
  987929.9281  0.0477 -5.3562 3 1682.5517804  595161404A0 397 4    99 396 4      C-13-H3C(O)CH3
  987929.9676  0.0477 -5.4435 3 1682.5517804  595161404A0 397 3    99 496 3      C-13-H3C(O)CH3
  987929.9676  0.0477 -5.4435 3 1682.5517804  595161404A0 497 3    99 396 3      C-13-H3C(O)CH3
  987944.7283  0.0626 -5.1796 3 1682.5841G08  595161404A0 397 1    99 396 1      C-13-H3C(O)CH3
  987944.7283  0.0626 -5.1796 3 1682.5841G08  595161404A0 497 1    99 496 1      C-13-H3C(O)CH3
  987944.7283  0.0626 -5.6568 3 1682.5841G08  595161404A0 397 1    99 496 1      C-13-H3C(O)CH3
  987944.7283  0.0626 -5.6568 3 1682.5841G08  595161404A0 497 1    99 396 1      C-13-H3C(O)CH3
  987944.7365  0.0653 -5.2328 3 1682.5838G08  595161404A0 397 2    99 396 2      C-13-H3C(O)CH3
  987944.7365  0.0653 -5.2521 3 1682.5838G08  595161404A0 497 2    99 496 2      C-13-H3C(O)CH3
  987944.7365  0.0653 -5.5277 3 1682.5838G08  595161404A0 397 2    99 496 2      C-13-H3C(O)CH3
  987944.7365  0.0653 -5.4920 3 1682.5838G08  595161404A0 497 2    99 396 2      C-13-H3C(O)CH3
  987959.5105  0.0532 -5.1203 3 1682.6161G08  595161404A0 397 0    99 496 0      C-13-H3C(O)CH3
  987959.5105  0.0532 -5.1203 3 1682.6161G08  595161404A0 497 0    99 396 0      C-13-H3C(O)CH3
  987959.5105  0.0532 -5.9081 3 1682.6161G08  595161404A0 497 0    99 496 0      C-13-H3C(O)CH3
  987959.5105  0.0532 -5.9081 3 1682.6161G08  595161404A0 397 0    99 396 0      C-13-H3C(O)CH3
  987981.6825  0.0338 -3.8327 3  797.4014404  5951614045048 2 3    4947 2 3      C-13-H3C(O)CH3
  988010.2267  0.0123 -4.1122 3  547.3710744  595161404462422 0    452323 0      C-13-H3C(O)CH3
  988071.4051  0.0196 -4.1120 3  547.3498744  595161404462422 2    452323 2      C-13-H3C(O)CH3
  988079.4143  0.0427 -3.8326 3  797.3587404  5951614045048 3 4    4947 3 4      C-13-H3C(O)CH3
  988091.8109  0.0124 -4.1119 3  547.3524744  595161404462422 1    452323 1      C-13-H3C(O)CH3
  988152.9135  0.0208 -4.4127 3  547.3311372  595161404462422 3    452323 3      C-13-H3C(O)CH3
  988153.3832  0.0210 -4.4127 3  547.3311372  595161404462422 4    452323 4      C-13-H3C(O)CH3
  988177.2723  0.1165 -5.2605 3 1467.8352628  595161404782850 4    772849 4      C-13-H3C(O)CH3
  988177.2723  0.1165 -5.2605 3 1467.8352628  595161404782950 4    772949 4      C-13-H3C(O)CH3
  988177.2899  0.1165 -5.2501 3 1467.8352628  595161404782850 3    772949 3      C-13-H3C(O)CH3
  988177.2899  0.1165 -5.2501 3 1467.8352628  595161404782950 3    772849 3      C-13-H3C(O)CH3
  988185.5539  0.1397 -5.5784 3 1467.8142C56  595161404782850 1    772949 1      C-13-H3C(O)CH3
  988185.5539  0.1397 -5.5784 3 1467.8142C56  595161404782950 1    772849 1      C-13-H3C(O)CH3
  988185.5539  0.1397 -5.0633 3 1467.8142C56  595161404782950 1    772949 1      C-13-H3C(O)CH3
  988185.5539  0.1397 -5.0633 3 1467.8142C56  595161404782850 1    772849 1      C-13-H3C(O)CH3
  988189.3353  0.1401 -5.1268 3 1467.8168C56  595161404782950 2    772849 2      C-13-H3C(O)CH3
  988189.3353  0.1401 -5.5117 3 1467.8168C56  595161404782950 2    772949 2      C-13-H3C(O)CH3
  988189.3353  0.1401 -5.0859 3 1467.8168C56  595161404782850 2    772949 2      C-13-H3C(O)CH3
  988189.3353  0.1401 -5.4183 3 1467.8168C56  595161404782850 2    772849 2      C-13-H3C(O)CH3
  988197.5983  0.1380 -4.9564 3 1467.7958C56  595161404782950 0    772849 0      C-13-H3C(O)CH3
  988197.5983  0.1380 -4.9564 3 1467.7958C56  595161404782850 0    772949 0      C-13-H3C(O)CH3
  988227.4069  0.0121 -4.1121 3  547.3707744  595161404462522 0    452223 0      C-13-H3C(O)CH3
  988300.5410  0.0185 -4.1119 3  547.3495744  595161404462522 2    452223 2      C-13-H3C(O)CH3
  988316.5061  0.0125 -4.1118 3  547.3521744  595161404462522 1    452223 1      C-13-H3C(O)CH3
  988389.9870  0.0199 -4.4126 3  547.3308372  595161404462522 4    452223 4      C-13-H3C(O)CH3
  988390.0546  0.0197 -4.4126 3  547.3308372  595161404462522 3    452223 3      C-13-H3C(O)CH3
  988527.6201  0.1082 -5.0822 3 1661.6435F12  595161404941184 0    931083 0      C-13-H3C(O)CH3
  988527.6201  0.1082 -5.0822 3 1661.6435F12  595161404941084 0    931183 0      C-13-H3C(O)CH3
  988561.8600  0.1155 -5.1706 3 1661.6434F12  595161404941084 1    931183 1      C-13-H3C(O)CH3
  988561.8600  0.1155 -5.8158 3 1661.6434F12  595161404941084 1    931083 1      C-13-H3C(O)CH3
  988561.8600  0.1155 -5.8158 3 1661.6434F12  595161404941184 1    931183 1      C-13-H3C(O)CH3
  988561.8600  0.1155 -5.1706 3 1661.6434F12  595161404941184 1    931083 1      C-13-H3C(O)CH3
  988561.8761  0.1096 -5.1922 3 1661.6431F12  595161404941184 2    931083 2      C-13-H3C(O)CH3
  988561.8761  0.1096 -5.7313 3 1661.6431F12  595161404941084 2    931083 2      C-13-H3C(O)CH3
  988561.8761  0.1096 -5.7313 3 1661.6431F12  595161404941184 2    931183 2      C-13-H3C(O)CH3
  988561.8761  0.1096 -5.1922 3 1661.6431F12  595161404941084 2    931183 2      C-13-H3C(O)CH3
  988596.1378  0.1059 -5.6202 3 1661.6430756  595161404941084 3    931183 3      C-13-H3C(O)CH3
  988596.1378  0.1059 -5.7588 3 1661.6430756  595161404941084 3    931083 3      C-13-H3C(O)CH3
  988596.1378  0.1059 -5.7588 3 1661.6430756  595161404941184 3    931183 3      C-13-H3C(O)CH3
  988596.1378  0.1059 -5.6202 3 1661.6430756  595161404941184 3    931083 3      C-13-H3C(O)CH3
  988596.1799  0.1059 -5.4888 3 1661.6430756  595161404941084 4    931183 4      C-13-H3C(O)CH3
  988596.1799  0.1059 -5.4888 3 1661.6430756  595161404941184 4    931083 4      C-13-H3C(O)CH3
  988673.7991  0.1621 -5.0573 3 1600.9606E00  595161404871969 0    861968 0      C-13-H3C(O)CH3
  988673.7991  0.1621 -5.0573 3 1600.9606E00  595161404871869 0    861868 0      C-13-H3C(O)CH3
  988685.1894  0.1694 -5.1812 3 1600.9817E00  595161404871969 1    861968 1      C-13-H3C(O)CH3
  988685.1894  0.1694 -5.6507 3 1600.9817E00  595161404871869 1    861968 1      C-13-H3C(O)CH3
  988685.1894  0.1694 -5.1812 3 1600.9817E00  595161404871869 1    861868 1      C-13-H3C(O)CH3
  988685.1894  0.1694 -5.6507 3 1600.9817E00  595161404871969 1    861868 1      C-13-H3C(O)CH3
  988688.7742  0.1739 -5.8976 3 1600.9829E00  595161404871969 2    861868 2      C-13-H3C(O)CH3
  988688.7742  0.1739 -5.1216 3 1600.9829E00  595161404871969 2    861968 2      C-13-H3C(O)CH3
  988688.7742  0.1739 -5.1216 3 1600.9829E00  595161404871869 2    861868 2      C-13-H3C(O)CH3
  988688.7742  0.1739 -5.8976 3 1600.9829E00  595161404871869 2    861968 2      C-13-H3C(O)CH3
  988700.1869  0.1285 -5.4769 3 1601.0040700  595161404871969 3    861868 3      C-13-H3C(O)CH3
  988700.1869  0.1285 -5.4769 3 1601.0040700  595161404871869 3    861968 3      C-13-H3C(O)CH3
  988700.2073  0.1285 -5.8374 3 1601.0040700  595161404871969 4    861968 4      C-13-H3C(O)CH3
  988700.2073  0.1285 -5.8374 3 1601.0040700  595161404871869 4    861868 4      C-13-H3C(O)CH3
  988700.2073  0.1285 -5.5291 3 1601.0040700  595161404871869 4    861968 4      C-13-H3C(O)CH3
  988700.2073  0.1285 -5.5291 3 1601.0040700  595161404871969 4    861868 4      C-13-H3C(O)CH3
  989006.7480  0.1201 -5.2677 3 1486.9583636  595161404792752 4    782851 4      C-13-H3C(O)CH3
  989006.7480  0.1201 -5.2677 3 1486.9583636  595161404792852 4    782751 4      C-13-H3C(O)CH3
  989006.7625  0.1201 -5.9187 3 1486.9583636  595161404792852 3    782751 3      C-13-H3C(O)CH3
  989006.7625  0.1201 -5.3754 3 1486.9583636  595161404792852 3    782851 3      C-13-H3C(O)CH3
  989006.7625  0.1201 -5.9187 3 1486.9583636  595161404792752 3    782851 3      C-13-H3C(O)CH3
  989006.7625  0.1201 -5.3754 3 1486.9583636  595161404792752 3    782751 3      C-13-H3C(O)CH3
  989013.9919  0.1468 -5.3926 3 1486.9369C72  595161404792752 1    782851 1      C-13-H3C(O)CH3
  989013.9919  0.1468 -5.1682 3 1486.9369C72  595161404792852 1    782851 1      C-13-H3C(O)CH3
  989013.9919  0.1468 -5.3926 3 1486.9369C72  595161404792852 1    782751 1      C-13-H3C(O)CH3
  989013.9919  0.1468 -5.1682 3 1486.9369C72  595161404792752 1    782751 1      C-13-H3C(O)CH3
  989018.0800  0.1470 -5.3332 3 1486.9394C72  595161404792752 2    782851 2      C-13-H3C(O)CH3
  989018.0800  0.1470 -5.2080 3 1486.9394C72  595161404792752 2    782751 2      C-13-H3C(O)CH3
  989018.0800  0.1470 -5.2080 3 1486.9394C72  595161404792852 2    782851 2      C-13-H3C(O)CH3
  989018.0800  0.1470 -5.3332 3 1486.9394C72  595161404792852 2    782751 2      C-13-H3C(O)CH3
  989025.3103  0.1442 -5.7262 3 1486.9180C72  595161404792852 0    782851 0      C-13-H3C(O)CH3
  989025.3103  0.1442 -5.7262 3 1486.9180C72  595161404792752 0    782751 0      C-13-H3C(O)CH3
  989025.3103  0.1442 -5.0476 3 1486.9180C72  595161404792852 0    782751 0      C-13-H3C(O)CH3
  989025.3103  0.1442 -5.0476 3 1486.9180C72  595161404792752 0    782851 0      C-13-H3C(O)CH3
  989166.8986  0.0124 -4.7721 3  326.3269324  59516140440 931 4    39 832 4      C-13-H3C(O)CH3
  989166.8986  0.0124 -4.7721 3  326.3269324  595161404401031 4    39 732 4      C-13-H3C(O)CH3
  989167.5346  0.0116 -4.7638 3  326.3269324  595161404401031 3    39 832 3      C-13-H3C(O)CH3
  989167.5346  0.0116 -4.7638 3  326.3269324  59516140440 931 3    39 732 3      C-13-H3C(O)CH3
  989192.0570  0.0266 -5.3977 3  453.6409332  595161404412814 4    402516 4      C-13-H3C(O)CH3
  989214.9174  0.0184 -5.2992 3  453.6617664  595161404412814 1    402516 1      C-13-H3C(O)CH3
  989263.9526  0.0313 -4.1969 3  613.1281776  595161404482920 0    472621 0      C-13-H3C(O)CH3
  989364.8232  0.0238 -5.1685 3  453.6595664  595161404412814 2    402516 2      C-13-H3C(O)CH3
  989429.9690  0.0107 -5.1859 3  326.3402648  595161404401031 2    39 832 2      C-13-H3C(O)CH3
  989429.9690  0.0107 -4.5472 3  326.3402648  595161404401031 2    39 732 2      C-13-H3C(O)CH3
  989429.9690  0.0107 -4.5472 3  326.3402648  59516140440 931 2    39 832 2      C-13-H3C(O)CH3
  989429.9690  0.0107 -5.1859 3  326.3402648  59516140440 931 2    39 732 2      C-13-H3C(O)CH3
  989434.4486  0.0110 -5.7932 3  326.3409648  595161404401031 1    39 732 1      C-13-H3C(O)CH3
  989434.4486  0.0110 -4.4779 3  326.3409648  595161404401031 1    39 832 1      C-13-H3C(O)CH3
  989434.4486  0.0110 -5.7932 3  326.3409648  59516140440 931 1    39 832 1      C-13-H3C(O)CH3
  989434.4486  0.0110 -4.4779 3  326.3409648  59516140440 931 1    39 732 1      C-13-H3C(O)CH3
  989461.3534  0.0797 -4.8492 3 1267.6820B12  595161404693732 0    683831 0      C-13-H3C(O)CH3
  989467.6417  0.0796 -4.8494 3 1267.6929B12  595161404693732 1    683831 1      C-13-H3C(O)CH3
  989473.3948  0.0845 -4.8493 3 1267.6965B12  595161404693732 2    683831 2      C-13-H3C(O)CH3
  989479.3367  0.0817 -5.1505 3 1267.7075556  595161404693732 3    683831 3      C-13-H3C(O)CH3
  989479.5539  0.0812 -5.1505 3 1267.7075556  595161404693732 4    683831 4      C-13-H3C(O)CH3
  989491.0373  0.0291 -4.1973 3  613.1125776  595161404482920 1    472621 1      C-13-H3C(O)CH3
  989568.4832  0.0240 -4.1978 3  613.1074776  595161404482920 2    472621 2      C-13-H3C(O)CH3
  989646.0392  0.0164 -4.7358 3  453.6797664  595161404412813 0    402516 0      C-13-H3C(O)CH3
  989677.3409  0.0137 -3.5820 3  802.3017824  5951614045146 5 0    5045 6 0      C-13-H3C(O)CH3
  989677.3409  0.0137 -3.5820 3  802.3017824  5951614045146 6 0    5045 5 0      C-13-H3C(O)CH3
  989680.1646  0.0144 -3.5820 3  802.3431824  5951614045146 5 1    5045 5 1      C-13-H3C(O)CH3
  989684.7755  0.0153 -3.5820 3  802.3221824  5951614045146 5 2    5045 5 2      C-13-H3C(O)CH3
  989687.9220  0.0198 -3.8830 3  802.3634412  5951614045146 5 4    5045 5 4      C-13-H3C(O)CH3
  989696.4460  0.0101 -4.5804 3  326.3543648  595161404401031 0    39 832 0      C-13-H3C(O)CH3
  989696.4460  0.0101 -5.0644 3  326.3543648  59516140440 931 0    39 832 0      C-13-H3C(O)CH3
  989696.4460  0.0101 -5.0644 3  326.3543648  595161404401031 0    39 732 0      C-13-H3C(O)CH3
  989696.4460  0.0101 -4.5804 3  326.3543648  59516140440 931 0    39 732 0      C-13-H3C(O)CH3
  989754.9763  0.1077 -5.1143 3 1670.9256F28  595161404951086 0    941085 0      C-13-H3C(O)CH3
  989754.9763  0.1077 -5.1143 3 1670.9256F28  59516140495 986 0    94 985 0      C-13-H3C(O)CH3
  989762.6734  0.0166 -3.5820 3  802.3039824  5951614045146 6 2    5045 6 2      C-13-H3C(O)CH3
  989765.2506  0.0211 -3.8830 3  802.3452412  5951614045146 5 3    5045 5 3      C-13-H3C(O)CH3
  989786.8811  0.0154 -4.4993 3  613.0917388  595161404482920 4    472621 4      C-13-H3C(O)CH3
  989787.6826  0.1594 -5.1958 3 1614.5353E16  595161404881771 0    871870 0      C-13-H3C(O)CH3
  989787.6826  0.1594 -5.6587 3 1614.5353E16  595161404881771 0    871770 0      C-13-H3C(O)CH3
  989787.6826  0.1594 -5.1635 3 1614.5353E16  595161404881871 0    871770 0      C-13-H3C(O)CH3
  989787.6826  0.1594 -5.7690 3 1614.5353E16  595161404881871 0    871870 0      C-13-H3C(O)CH3
  989787.9019  0.1154 -5.4904 3 1670.9193F28  59516140495 986 2    941085 2      C-13-H3C(O)CH3
  989787.9019  0.1154 -5.3079 3 1670.9193F28  595161404951086 2    941085 2      C-13-H3C(O)CH3
  989787.9019  0.1154 -5.4904 3 1670.9193F28  595161404951086 2    94 985 2      C-13-H3C(O)CH3
  989787.9019  0.1154 -5.3079 3 1670.9193F28  59516140495 986 2    94 985 2      C-13-H3C(O)CH3
  989788.0439  0.1237 -5.0920 3 1670.9196F28  595161404951086 1    941085 1      C-13-H3C(O)CH3
  989788.0439  0.1237 -5.0920 3 1670.9196F28  59516140495 986 1    94 985 1      C-13-H3C(O)CH3
  989802.6396  0.1654 -5.0833 3 1614.5558E16  595161404881871 1    871770 1      C-13-H3C(O)CH3
  989802.6396  0.1654 -5.0833 3 1614.5558E16  595161404881771 1    871870 1      C-13-H3C(O)CH3
  989805.8224  0.1707 -5.4135 3 1614.5568E16  595161404881871 2    871870 2      C-13-H3C(O)CH3
  989805.8224  0.1707 -5.3273 3 1614.5568E16  595161404881771 2    871870 2      C-13-H3C(O)CH3
  989805.8224  0.1707 -5.3273 3 1614.5568E16  595161404881871 2    871770 2      C-13-H3C(O)CH3
  989805.8224  0.1707 -5.4135 3 1614.5568E16  595161404881771 2    871770 2      C-13-H3C(O)CH3
  989809.4306  0.0156 -4.4992 3  613.0917388  595161404482920 3    472621 3      C-13-H3C(O)CH3
  989816.4260  0.0287 -5.7443 3  453.6419332  595161404412814 3    402516 3      C-13-H3C(O)CH3
  989820.8044  0.1281 -5.4551 3 1614.5773708  595161404881871 3    871770 3      C-13-H3C(O)CH3
  989820.8044  0.1281 -5.4551 3 1614.5773708  595161404881771 3    871870 3      C-13-H3C(O)CH3
  989820.8282  0.1281 -5.3712 3 1614.5773708  595161404881771 4    871870 4      C-13-H3C(O)CH3
  989820.8282  0.1281 -5.3712 3 1614.5773708  595161404881871 4    871770 4      C-13-H3C(O)CH3
  989820.9852  0.1034 -5.7595 3 1670.9132764  595161404951086 3    94 985 3      C-13-H3C(O)CH3
  989820.9852  0.1034 -5.6312 3 1670.9132764  595161404951086 3    941085 3      C-13-H3C(O)CH3
  989820.9852  0.1034 -5.6312 3 1670.9132764  59516140495 986 3    94 985 3      C-13-H3C(O)CH3
  989820.9852  0.1034 -5.7595 3 1670.9132764  59516140495 986 3    941085 3      C-13-H3C(O)CH3
  989821.0251  0.1034 -5.3963 3 1670.9132764  59516140495 986 4    94 985 4      C-13-H3C(O)CH3
  989821.0251  0.1034 -5.3963 3 1670.9132764  595161404951086 4    941085 4      C-13-H3C(O)CH3
  989821.7297  0.0159 -3.5819 3  802.3140824  5951614045146 6 1    5045 6 1      C-13-H3C(O)CH3
  989828.8502  0.0213 -3.8829 3  802.3343412  5951614045146 6 3    5045 6 3      C-13-H3C(O)CH3
  989891.1469  0.1235 -5.2864 3 1505.5116644  595161404802654 4    792753 4      C-13-H3C(O)CH3
  989891.1469  0.1235 -5.2864 3 1505.5116644  595161404802754 4    792653 4      C-13-H3C(O)CH3
  989891.1581  0.1235 -5.3594 3 1505.5115644  595161404802654 3    792753 3      C-13-H3C(O)CH3
  989891.1581  0.1235 -5.3594 3 1505.5115644  595161404802754 3    792653 3      C-13-H3C(O)CH3
  989897.0721  0.1538 -5.3001 3 1505.4897C88  595161404802654 1    792653 1      C-13-H3C(O)CH3
  989897.0721  0.1538 -5.2675 3 1505.4897C88  595161404802654 1    792753 1      C-13-H3C(O)CH3
  989897.0721  0.1538 -5.3001 3 1505.4897C88  595161404802754 1    792753 1      C-13-H3C(O)CH3
  989897.0721  0.1538 -5.2675 3 1505.4897C88  595161404802754 1    792653 1      C-13-H3C(O)CH3
  989901.4144  0.1539 -5.0030 3 1505.4922C88  595161404802654 2    792653 2      C-13-H3C(O)CH3
  989901.4144  0.1539 -5.0030 3 1505.4922C88  595161404802754 2    792753 2      C-13-H3C(O)CH3
  989906.4657  0.0246 -3.8829 3  802.3161412  5951614045146 6 4    5045 6 4      C-13-H3C(O)CH3
  989907.3310  0.1500 -5.8549 3 1505.4704C88  595161404802754 0    792653 0      C-13-H3C(O)CH3
  989907.3310  0.1500 -5.0450 3 1505.4704C88  595161404802754 0    792753 0      C-13-H3C(O)CH3
  989907.3310  0.1500 -5.0450 3 1505.4704C88  595161404802654 0    792653 0      C-13-H3C(O)CH3
  989907.3310  0.1500 -5.8549 3 1505.4704C88  595161404802654 0    792753 0      C-13-H3C(O)CH3
  989933.7410  0.0871 -4.8487 3 1267.6701B12  595161404693832 0    683731 0      C-13-H3C(O)CH3
  989961.0135  0.0790 -4.8488 3 1267.6842B12  595161404693832 2    683731 2      C-13-H3C(O)CH3
  989973.8991  0.0813 -4.8489 3 1267.6802B12  595161404693832 1    683731 1      C-13-H3C(O)CH3
  990001.5587  0.0682 -5.1500 3 1267.6944556  595161404693832 4    683731 4      C-13-H3C(O)CH3
  990001.7311  0.0682 -5.1500 3 1267.6943556  595161404693832 3    683731 3      C-13-H3C(O)CH3
  990009.2257  0.0244 -4.8733 3  453.6617664  595161404412813 1    402516 1      C-13-H3C(O)CH3
  990297.7323  0.0184 -5.0568 3  284.1141316  59516140439 633 4    38 534 4      C-13-H3C(O)CH3
  990297.7323  0.0184 -5.0568 3  284.1141316  59516140439 733 4    38 434 4      C-13-H3C(O)CH3
  990298.2294  0.0170 -5.0428 3  284.1141316  59516140439 733 3    38 534 3      C-13-H3C(O)CH3
  990298.2294  0.0170 -5.0428 3  284.1141316  59516140439 633 3    38 434 3      C-13-H3C(O)CH3
  990344.3690  0.0075 -4.1536 3  441.6532696  595161404431726 0    421627 0      C-13-H3C(O)CH3
  990344.3693  0.0075 -4.1536 3  441.6532696  595161404431826 0    421527 0      C-13-H3C(O)CH3
  990393.3158  0.0095 -4.1534 3  441.6241696  595161404431726 2    421627 2      C-13-H3C(O)CH3
  990393.3161  0.0095 -4.1534 3  441.6241696  595161404431826 2    421527 2      C-13-H3C(O)CH3
  990399.2563  0.0090 -4.1533 3  441.6255696  595161404431726 1    421627 1      C-13-H3C(O)CH3
  990399.2566  0.0090 -4.1533 3  441.6255696  595161404431826 1    421527 1      C-13-H3C(O)CH3
  990409.8000  0.0344 -5.1313 3  453.6419332  595161404412813 3    402516 3      C-13-H3C(O)CH3
  990447.0551  0.1740 -5.1850 3 1241.6454548  595161404683830 3    673929 3      C-13-H3C(O)CH3
  990448.2036  0.0106 -4.4541 3  441.5963348  595161404431726 4    421627 4      C-13-H3C(O)CH3
  990448.2040  0.0106 -4.4541 3  441.5963348  595161404431826 4    421527 4      C-13-H3C(O)CH3
  990448.3169  0.0106 -4.4541 3  441.5963348  595161404431726 3    421627 3      C-13-H3C(O)CH3
  990448.3172  0.0106 -4.4541 3  441.5963348  595161404431826 3    421527 3      C-13-H3C(O)CH3
  990448.8081  0.1692 -5.1850 3 1241.6454548  595161404683830 4    673929 4      C-13-H3C(O)CH3
  990497.2844  0.1549 -4.8836 3 1241.6324A96  595161404683830 1    673929 1      C-13-H3C(O)CH3
  990563.4650  0.4833 -5.2955 3 1247.8722548  595161404683929 3    674028 3      C-13-H3C(O)CH3
  990568.5293  0.4698 -5.2955 3 1247.8721548  595161404683929 4    674028 4      C-13-H3C(O)CH3
  990568.9845  0.1938 -4.8833 3 1241.6357A96  595161404683830 2    673929 2      C-13-H3C(O)CH3
  990585.5880  0.0365 -4.9370 3  453.6595664  595161404412813 2    402516 2      C-13-H3C(O)CH3
  990615.8912  0.1573 -4.8829 3 1241.6228A96  595161404683830 0    673929 0      C-13-H3C(O)CH3
  990813.3034  0.0141 -5.2782 3  284.1047632  59516140439 733 2    38 534 2      C-13-H3C(O)CH3
  990813.3034  0.0141 -4.8851 3  284.1047632  59516140439 633 2    38 534 2      C-13-H3C(O)CH3
  990813.3034  0.0141 -4.8851 3  284.1047632  59516140439 733 2    38 434 2      C-13-H3C(O)CH3
  990813.3034  0.0141 -5.2782 3  284.1047632  59516140439 633 2    38 434 2      C-13-H3C(O)CH3
  990816.4206  0.0154 -4.8297 3  284.1052632  59516140439 733 1    38 534 1      C-13-H3C(O)CH3
  990816.4206  0.0154 -5.4570 3  284.1052632  59516140439 733 1    38 434 1      C-13-H3C(O)CH3
  990816.4206  0.0154 -4.8297 3  284.1052632  59516140439 633 1    38 434 1      C-13-H3C(O)CH3
  990816.4206  0.0154 -5.4570 3  284.1052632  59516140439 633 1    38 534 1      C-13-H3C(O)CH3
  990820.5274  0.1265 -5.6555 3 1523.5011652  595161404812556 4    802555 4      C-13-H3C(O)CH3
  990820.5274  0.1265 -5.5540 3 1523.5011652  595161404812556 4    802655 4      C-13-H3C(O)CH3
  990820.5274  0.1265 -5.6555 3 1523.5011652  595161404812656 4    802655 4      C-13-H3C(O)CH3
  990820.5274  0.1265 -5.5540 3 1523.5011652  595161404812656 4    802555 4      C-13-H3C(O)CH3
  990820.5350  0.1265 -5.7755 3 1523.5010652  595161404812556 3    802555 3      C-13-H3C(O)CH3
  990820.5350  0.1265 -5.7755 3 1523.5010652  595161404812656 3    802655 3      C-13-H3C(O)CH3
  990820.5350  0.1265 -5.4781 3 1523.5010652  595161404812656 3    802555 3      C-13-H3C(O)CH3
  990820.5350  0.1265 -5.4781 3 1523.5010652  595161404812556 3    802655 3      C-13-H3C(O)CH3
  990824.8699  0.1604 -5.1736 3 1523.4788D04  595161404812656 1    802655 1      C-13-H3C(O)CH3
  990824.8699  0.1604 -5.4813 3 1523.4788D04  595161404812656 1    802555 1      C-13-H3C(O)CH3
  990824.8699  0.1604 -5.4813 3 1523.4788D04  595161404812556 1    802655 1      C-13-H3C(O)CH3
  990824.8699  0.1604 -5.1736 3 1523.4788D04  595161404812556 1    802555 1      C-13-H3C(O)CH3
  990828.6973  0.4270 -4.9933 3 1247.8583A96  595161404683929 1    674028 1      C-13-H3C(O)CH3
  990829.4084  0.1606 -5.0322 3 1523.4812D04  595161404812656 2    802655 2      C-13-H3C(O)CH3
  990829.4084  0.1606 -5.0322 3 1523.4812D04  595161404812556 2    802555 2      C-13-H3C(O)CH3
  990833.7479  0.1556 -4.9997 3 1523.4590D04  595161404812656 0    802655 0      C-13-H3C(O)CH3
  990833.7479  0.1556 -4.9997 3 1523.4590D04  595161404812556 0    802555 0      C-13-H3C(O)CH3
  990856.5598  0.0316 -5.6459 3  241.2832308  59516140438 435 3    37 236 3      C-13-H3C(O)CH3
  990856.5598  0.0316 -5.6459 3  241.2832308  59516140438 335 3    37 136 3      C-13-H3C(O)CH3
  990857.0401  0.0334 -5.6681 3  241.2833308  59516140438 335 4    37 136 4      C-13-H3C(O)CH3
  990857.0401  0.0334 -5.6681 3  241.2833308  59516140438 435 4    37 236 4      C-13-H3C(O)CH3
  990916.8808  0.1551 -5.0969 3 1627.5731E32  595161404891673 0    881672 0      C-13-H3C(O)CH3
  990916.8808  0.1551 -5.0969 3 1627.5731E32  595161404891773 0    881772 0      C-13-H3C(O)CH3
  990935.5187  0.1592 -5.0799 3 1627.5927E32  595161404891673 1    881672 1      C-13-H3C(O)CH3
  990935.5187  0.1592 -5.0799 3 1627.5927E32  595161404891773 1    881772 1      C-13-H3C(O)CH3
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  990938.2434  0.1651 -5.0832 3 1627.5935E32  595161404891773 2    881772 2      C-13-H3C(O)CH3
  990956.9085  0.1271 -5.8542 3 1627.6131716  595161404891673 3    881772 3      C-13-H3C(O)CH3
  990956.9085  0.1271 -5.8542 3 1627.6131716  595161404891773 3    881672 3      C-13-H3C(O)CH3
  990956.9085  0.1271 -5.5584 3 1627.6131716  595161404891673 3    881672 3      C-13-H3C(O)CH3
  990956.9085  0.1271 -5.5584 3 1627.6131716  595161404891773 3    881772 3      C-13-H3C(O)CH3
  990956.9356  0.1271 -5.3856 3 1627.6131716  595161404891773 4    881772 4      C-13-H3C(O)CH3
  990956.9356  0.1271 -5.3856 3 1627.6131716  595161404891673 4    881672 4      C-13-H3C(O)CH3
  990961.9022  0.0278 -5.4226 3  855.1468904  595161404563621 1    553521 1      C-13-H3C(O)CH3
  990965.1613  0.0269 -5.2879 3  855.1481904  595161404563621 2    553521 2      C-13-H3C(O)CH3
  990998.1653  0.1090 -5.0948 3 1679.6815F44  59516140496 988 0    95 887 0      C-13-H3C(O)CH3
  990998.1653  0.1090 -5.0948 3 1679.6815F44  59516140496 888 0    95 987 0      C-13-H3C(O)CH3
  991027.9906  0.1243 -5.0955 3 1679.6685F44  59516140496 888 2    95 987 2      C-13-H3C(O)CH3
  991027.9906  0.1243 -5.0955 3 1679.6685F44  59516140496 988 2    95 887 2      C-13-H3C(O)CH3
  991028.1776  0.1335 -5.4096 3 1679.6687F44  59516140496 988 1    95 987 1      C-13-H3C(O)CH3
  991028.1776  0.1335 -5.3817 3 1679.6687F44  59516140496 988 1    95 887 1      C-13-H3C(O)CH3
  991028.1776  0.1335 -5.3817 3 1679.6687F44  59516140496 888 1    95 987 1      C-13-H3C(O)CH3
  991028.1776  0.1335 -5.4096 3 1679.6687F44  59516140496 888 1    95 887 1      C-13-H3C(O)CH3
  991044.5334  0.0338 -5.1127 3  855.1616452  595161404563621 4    553521 4      C-13-H3C(O)CH3
  991058.0120  0.1004 -5.4090 3 1679.6557772  59516140496 988 3    95 887 3      C-13-H3C(O)CH3
  991058.0120  0.1004 -5.4090 3 1679.6557772  59516140496 888 3    95 987 3      C-13-H3C(O)CH3
  991058.0461  0.1004 -5.7737 3 1679.6557772  59516140496 988 4    95 987 4      C-13-H3C(O)CH3
  991058.0461  0.1004 -5.7737 3 1679.6557772  59516140496 888 4    95 887 4      C-13-H3C(O)CH3
  991058.0461  0.1004 -5.6309 3 1679.6557772  59516140496 888 4    95 987 4      C-13-H3C(O)CH3
  991058.0461  0.1004 -5.6309 3 1679.6557772  59516140496 988 4    95 887 4      C-13-H3C(O)CH3
  991058.2607  0.5578 -4.9926 3 1247.8601A96  595161404683929 2    674028 2      C-13-H3C(O)CH3
  991088.5492  0.0440 -5.2848 3  453.6409332  595161404412813 4    402516 4      C-13-H3C(O)CH3
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  991330.5091  0.0133 -4.7442 3  284.0958632  59516140439 733 0    38 534 0      C-13-H3C(O)CH3
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  991741.6777  0.0376 -5.4142 3  241.2336616  59516140438 435 2    37 136 2      C-13-H3C(O)CH3
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  991743.0918  0.0399 -5.3422 3  241.2340616  59516140438 435 1    37 236 1      C-13-H3C(O)CH3
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  991787.3946  0.1292 -5.9132 3 1540.9319660  595161404822458 4    812557 4      C-13-H3C(O)CH3
  991787.3946  0.1292 -5.4449 3 1540.9319660  595161404822458 4    812457 4      C-13-H3C(O)CH3
  991787.3946  0.1292 -5.9132 3 1540.9319660  595161404822558 4    812457 4      C-13-H3C(O)CH3
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  991794.5725  0.1671 -5.5714 3 1540.9116D20  595161404822458 2    812557 2      C-13-H3C(O)CH3
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  991794.5725  0.1671 -5.1586 3 1540.9116D20  595161404822558 2    812557 2      C-13-H3C(O)CH3
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  991797.0821  0.1607 -5.1199 3 1540.8890D20  595161404822458 0    812557 0      C-13-H3C(O)CH3
  991797.0821  0.1607 -5.6911 3 1540.8890D20  595161404822458 0    812457 0      C-13-H3C(O)CH3
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  992060.7650  0.1493 -5.3314 3 1640.0759E48  595161404901575 0    891674 0      C-13-H3C(O)CH3
  992083.0919  0.1510 -5.5041 3 1640.0942E48  595161404901575 1    891674 1      C-13-H3C(O)CH3
  992083.0919  0.1510 -5.3031 3 1640.0942E48  595161404901575 1    891574 1      C-13-H3C(O)CH3
  992083.0919  0.1510 -5.5041 3 1640.0942E48  595161404901675 1    891574 1      C-13-H3C(O)CH3
  992083.0919  0.1510 -5.3031 3 1640.0942E48  595161404901675 1    891674 1      C-13-H3C(O)CH3
  992085.3199  0.1571 -5.1450 3 1640.0947E48  595161404901675 2    891674 2      C-13-H3C(O)CH3
  992085.3199  0.1571 -5.1450 3 1640.0947E48  595161404901575 2    891574 2      C-13-H3C(O)CH3
  992107.6761  0.1257 -5.6866 3 1640.1129724  595161404901675 3    891674 3      C-13-H3C(O)CH3
  992107.6761  0.1257 -5.6998 3 1640.1129724  595161404901575 3    891674 3      C-13-H3C(O)CH3
  992107.6761  0.1257 -5.6998 3 1640.1129724  595161404901675 3    891574 3      C-13-H3C(O)CH3
  992107.6761  0.1257 -5.6866 3 1640.1129724  595161404901575 3    891574 3      C-13-H3C(O)CH3
  992107.7064  0.1257 -5.4355 3 1640.1129724  595161404901575 4    891574 4      C-13-H3C(O)CH3
  992107.7064  0.1257 -5.4355 3 1640.1129724  595161404901675 4    891674 4      C-13-H3C(O)CH3
  992138.2866  0.0203 -5.4171 3  382.6772300  5951614043729 9 3    362610 3      C-13-H3C(O)CH3
  992196.9224  0.0185 -5.1201 3  382.6828600  5951614043729 9 1    362611 1      C-13-H3C(O)CH3
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  992282.4325  0.1318 -5.8030 3 1687.8916F60  59516140497 890 2    96 789 2      C-13-H3C(O)CH3
  992282.4325  0.1318 -5.1952 3 1687.8916F60  59516140497 790 2    96 789 2      C-13-H3C(O)CH3
  992282.4325  0.1318 -5.8030 3 1687.8916F60  59516140497 790 2    96 889 2      C-13-H3C(O)CH3
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  992282.5675  0.1404 -5.4589 3 1687.8918F60  59516140497 890 1    96 789 1      C-13-H3C(O)CH3
  992282.5675  0.1404 -5.3489 3 1687.8918F60  59516140497 790 1    96 789 1      C-13-H3C(O)CH3
  992282.5675  0.1404 -5.4589 3 1687.8918F60  59516140497 790 1    96 889 1      C-13-H3C(O)CH3
  992307.2180  0.0962 -5.4302 3 1687.8717780  59516140497 890 3    96 889 3      C-13-H3C(O)CH3
  992307.2180  0.0962 -5.4302 3 1687.8717780  59516140497 790 3    96 789 3      C-13-H3C(O)CH3
  992307.2412  0.0962 -5.4718 3 1687.8717780  59516140497 890 4    96 789 4      C-13-H3C(O)CH3
  992307.2412  0.0962 -5.4718 3 1687.8717780  59516140497 790 4    96 889 4      C-13-H3C(O)CH3
  992396.1914  0.0181 -5.1178 3  382.7081600  5951614043729 8 2    362610 2      C-13-H3C(O)CH3
  992442.9663  0.0177 -5.1199 3  382.7140600  5951614043729 9 0    362610 0      C-13-H3C(O)CH3
  992471.7682  0.0177 -5.1199 3  382.7131600  5951614043729 8 0    362611 0      C-13-H3C(O)CH3
  992471.9718  0.0219 -5.4159 3  382.6837300  5951614043729 8 4    362610 4      C-13-H3C(O)CH3
  992476.1343  0.0182 -5.1203 3  382.6908600  5951614043729 9 2    362611 2      C-13-H3C(O)CH3
  992525.9407  0.0183 -5.1196 3  382.6894600  5951614043729 8 1    362610 1      C-13-H3C(O)CH3
  992550.0121  0.0206 -5.4191 3  382.6664300  5951614043729 8 3    362611 3      C-13-H3C(O)CH3
  992626.2015  0.0358 -5.3842 3  241.1845616  59516140438 335 0    37 136 0      C-13-H3C(O)CH3
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  992755.2299  0.0133 -3.7116 3  817.2406856  595161404534212 2    524112 2      C-13-H3C(O)CH3
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  992786.0350  0.1316 -5.6231 3 1557.8082668  595161404832360 4    822359 4      C-13-H3C(O)CH3
  992786.0350  0.1316 -5.6480 3 1557.8082668  595161404832460 4    822359 4      C-13-H3C(O)CH3
  992786.0350  0.1316 -5.6480 3 1557.8082668  595161404832360 4    822459 4      C-13-H3C(O)CH3
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  992786.0355  0.1316 -5.5344 3 1557.8082668  595161404832360 3    822359 3      C-13-H3C(O)CH3
  992786.0355  0.1316 -5.7671 3 1557.8082668  595161404832360 3    822459 3      C-13-H3C(O)CH3
  992786.0355  0.1316 -5.5344 3 1557.8082668  595161404832460 3    822459 3      C-13-H3C(O)CH3
  992786.4607  0.1722 -5.0793 3 1557.7852D36  595161404832360 1    822459 1      C-13-H3C(O)CH3
  992786.4607  0.1722 -5.0793 3 1557.7852D36  595161404832460 1    822359 1      C-13-H3C(O)CH3
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  992791.1938  0.1731 -5.2667 3 1557.7875D36  595161404832460 2    822359 2      C-13-H3C(O)CH3
  992791.1938  0.1731 -5.4144 3 1557.7875D36  595161404832460 2    822459 2      C-13-H3C(O)CH3
  992791.1938  0.1731 -5.4144 3 1557.7875D36  595161404832360 2    822359 2      C-13-H3C(O)CH3
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  992791.6280  0.1651 -5.2278 3 1557.7646D36  595161404832360 0    822359 0      C-13-H3C(O)CH3
  992791.6280  0.1651 -5.4755 3 1557.7646D36  595161404832460 0    822359 0      C-13-H3C(O)CH3
  992791.6280  0.1651 -5.4755 3 1557.7646D36  595161404832360 0    822459 0      C-13-H3C(O)CH3
  992802.2683  0.0102 -3.7115 3  817.2390856 -595161404534211 1    524111 1      C-13-H3C(O)CH3
  992815.0822  0.0532 -4.4677 3  608.0730388  595161404482721 3    472622 3      C-13-H3C(O)CH3
  992819.9584  0.0540 -4.4677 3  608.0730388  595161404482721 4    472622 4      C-13-H3C(O)CH3
  992826.9365  0.0083 -3.7114 3  817.2108856 -595161404534212 0    524111 0      C-13-H3C(O)CH3
  992826.9365  0.0083 -3.7114 3  817.2108856 -595161404534211 0    524112 0      C-13-H3C(O)CH3
  992855.6560  0.0170 -4.0127 3  817.2579428  595161404534212 3    524112 3      C-13-H3C(O)CH3
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  992883.4569  0.0532 -4.1669 3  608.0867776  595161404482721 2    472622 2      C-13-H3C(O)CH3
  992896.3742  0.0111 -3.7115 3  817.2423856  595161404534211 2    524111 2      C-13-H3C(O)CH3
  992927.7104  0.0098 -3.7114 3  817.2281856 -595161404534212 1    524112 1      C-13-H3C(O)CH3
  992971.4499  0.0273 -4.1668 3  608.0898776 -595161404482721 1    472622 1      C-13-H3C(O)CH3
  992997.2879  0.0153 -4.0126 3  817.2595428  595161404534212 4    524112 4      C-13-H3C(O)CH3
  993035.2173  0.0300 -4.1670 3  608.1035776  595161404482721 0    472622 0      C-13-H3C(O)CH3
  993103.8024  0.0148 -3.9154 3  839.9271888  595161404553818 0    543717 0      C-13-H3C(O)CH3
  993135.8168  0.0150 -3.9164 3  839.9819888 -595161404553817 2    543717 2      C-13-H3C(O)CH3
  993155.4172  0.0200 -4.2170 3  840.0259444  595161404553817 4    543717 4      C-13-H3C(O)CH3
  993158.9401  0.0153 -3.9168 3  839.9703888 -595161404553817 1    543717 1      C-13-H3C(O)CH3
  993171.5102  0.1709 -5.5402 3  840.0011444  595161404553818 3    543717 3      C-13-H3C(O)CH3
  993177.9427  0.0147 -3.9154 3  839.9254888  595161404553817 0    543718 0      C-13-H3C(O)CH3
  993218.9583  0.1423 -5.1406 3 1652.0453E64  595161404911477 0    901476 0      C-13-H3C(O)CH3
  993218.9583  0.1423 -5.1219 3 1652.0453E64  595161404911577 0    901576 0      C-13-H3C(O)CH3
  993244.8395  0.1414 -5.1077 3 1652.0616E64  595161404911577 1    901576 1      C-13-H3C(O)CH3
  993244.8395  0.1414 -5.1077 3 1652.0616E64  595161404911477 1    901476 1      C-13-H3C(O)CH3
  993246.5545  0.1470 -5.1588 3 1652.0619E64  595161404911577 2    901476 2      C-13-H3C(O)CH3
  993246.5545  0.1470 -5.1588 3 1652.0619E64  595161404911477 2    901576 2      C-13-H3C(O)CH3
  993272.4661  0.1238 -5.7310 3 1652.0782732  595161404911577 3    901576 3      C-13-H3C(O)CH3
  993272.4661  0.1238 -5.6784 3 1652.0782732  595161404911577 3    901476 3      C-13-H3C(O)CH3
  993272.4661  0.1238 -5.6784 3 1652.0782732  595161404911477 3    901576 3      C-13-H3C(O)CH3
  993272.4661  0.1238 -5.7310 3 1652.0782732  595161404911477 3    901476 3      C-13-H3C(O)CH3
  993272.4995  0.1238 -5.6790 3 1652.0782732  595161404911477 4    901476 4      C-13-H3C(O)CH3
  993272.4995  0.1238 -5.7303 3 1652.0782732  595161404911477 4    901576 4      C-13-H3C(O)CH3
  993272.4995  0.1238 -5.7303 3 1652.0782732  595161404911577 4    901476 4      C-13-H3C(O)CH3
  993272.4995  0.1238 -5.6790 3 1652.0782732  595161404911577 4    901576 4      C-13-H3C(O)CH3
  993307.8304  0.0216 -4.2374 3  840.0011444  595161404553817 3    543717 3      C-13-H3C(O)CH3
  993315.3489  0.0141 -3.9163 3  839.9453888 -595161404553818 1    543718 1      C-13-H3C(O)CH3
  993332.7796  0.0149 -3.9157 3  839.9511888 -595161404553818 2    543718 2      C-13-H3C(O)CH3
  993353.9855  0.0220 -4.2372 3  839.9950444  595161404553818 3    543718 3      C-13-H3C(O)CH3
  993490.3056  0.1728 -5.5400 3  839.9950444  595161404553817 3    543718 3      C-13-H3C(O)CH3
  993506.4784  0.0222 -4.2158 3  839.9703444  595161404553818 4    543718 4      C-13-H3C(O)CH3
  993525.9871  0.0162 -4.1004 3  827.5387436  595161404544014 4    533914 4      C-13-H3C(O)CH3
  993534.3091  0.1073 -5.4063 3 1695.6165F76  59516140498 792 0    97 791 0      C-13-H3C(O)CH3
  993534.3091  0.1073 -5.4030 3 1695.6165F76  59516140498 792 0    97 691 0      C-13-H3C(O)CH3
  993534.3091  0.1073 -5.4030 3 1695.6165F76  59516140498 692 0    97 791 0      C-13-H3C(O)CH3
  993534.3091  0.1073 -5.4063 3 1695.6165F76  59516140498 692 0    97 691 0      C-13-H3C(O)CH3
  993549.6566  0.0128 -3.7991 3  827.5034872 -595161404544014 2    533914 2      C-13-H3C(O)CH3
  993551.5219  0.1330 -5.6531 3 1695.5896F76  59516140498 692 2    97 791 2      C-13-H3C(O)CH3
  993551.5219  0.1330 -5.2475 3 1695.5896F76  59516140498 792 2    97 791 2      C-13-H3C(O)CH3
  993551.5219  0.1330 -5.6531 3 1695.5896F76  59516140498 792 2    97 691 2      C-13-H3C(O)CH3
  993551.5219  0.1330 -5.2475 3 1695.5896F76  59516140498 692 2    97 691 2      C-13-H3C(O)CH3
  993551.5473  0.1398 -5.6446 3 1695.5897F76  59516140498 792 1    97 691 1      C-13-H3C(O)CH3
  993551.5473  0.1398 -5.2509 3 1695.5897F76  59516140498 792 1    97 791 1      C-13-H3C(O)CH3
  993551.5473  0.1398 -5.2509 3 1695.5897F76  59516140498 692 1    97 691 1      C-13-H3C(O)CH3
  993551.5473  0.1398 -5.6446 3 1695.5897F76  59516140498 692 1    97 791 1      C-13-H3C(O)CH3
  993568.7627  0.0900 -5.4451 3 1695.5627788  59516140498 692 3    97 691 3      C-13-H3C(O)CH3
  993568.7627  0.0900 -5.4451 3 1695.5627788  59516140498 792 3    97 791 3      C-13-H3C(O)CH3
  993568.7692  0.0900 -5.4168 3 1695.5627788  59516140498 692 4    97 691 4      C-13-H3C(O)CH3
  993568.7692  0.0900 -5.4168 3 1695.5627788  59516140498 792 4    97 791 4      C-13-H3C(O)CH3
  993589.7878  0.0115 -3.7990 3  827.4929872 -595161404544014 1    533914 1      C-13-H3C(O)CH3
  993613.5443  0.0092 -3.7988 3  827.4576872 -595161404544014 0    533915 0      C-13-H3C(O)CH3
  993613.5443  0.0092 -3.7988 3  827.4576872 -595161404544015 0    533914 0      C-13-H3C(O)CH3
  993658.3506  0.0324 -3.5309 3  806.9951808  5951614045049 1 1    4948 1 1      C-13-H3C(O)CH3
  993672.4613  0.0172 -4.1002 3  827.5264436  595161404544015 3    533915 3      C-13-H3C(O)CH3
  993693.5050  0.0303 -3.5308 3  806.9279808  5951614045049 2 0    4948 1 0      C-13-H3C(O)CH3
  993693.5050  0.0303 -3.5308 3  806.9279808  5951614045049 1 0    4948 2 0      C-13-H3C(O)CH3
  993708.2838  0.0161 -4.1000 3  827.5292436  595161404544014 3    533914 3      C-13-H3C(O)CH3
  993721.6913  0.0379 -3.8320 3  807.0457404  5951614045049 1 4    4948 1 4      C-13-H3C(O)CH3
  993731.7512  0.0125 -3.7988 3  827.4938872 -595161404544015 2    533915 2      C-13-H3C(O)CH3
  993736.0642  0.0117 -3.7988 3  827.4807872 -595161404544015 1    533915 1      C-13-H3C(O)CH3
  993756.3677  0.0324 -3.5308 3  806.9785808  5951614045049 1 2    4948 1 2      C-13-H3C(O)CH3
  993810.1582  0.1770 -5.0807 3 1574.1104D52  595161404842262 1    832361 1      C-13-H3C(O)CH3
  993810.1582  0.1770 -5.0807 3 1574.1104D52  595161404842362 1    832261 1      C-13-H3C(O)CH3
  993812.0505  0.1336 -5.3848 3 1574.1336676  595161404842362 3    832361 3      C-13-H3C(O)CH3
  993812.0505  0.1336 -5.3848 3 1574.1336676  595161404842262 3    832261 3      C-13-H3C(O)CH3
  993812.0538  0.1336 -5.3962 3 1574.1337676  595161404842262 4    832361 4      C-13-H3C(O)CH3
  993812.0538  0.1336 -5.3962 3 1574.1337676  595161404842362 4    832261 4      C-13-H3C(O)CH3
  993812.9964  0.1689 -5.1585 3 1574.0894D52  595161404842262 0    832261 0      C-13-H3C(O)CH3
  993812.9964  0.1689 -5.7025 3 1574.0894D52  595161404842262 0    832361 0      C-13-H3C(O)CH3
  993812.9964  0.1689 -5.1585 3 1574.0894D52  595161404842362 0    832361 0      C-13-H3C(O)CH3
  993812.9964  0.1689 -5.7025 3 1574.0894D52  595161404842362 0    832261 0      C-13-H3C(O)CH3
  993814.8776  0.1784 -5.2973 3 1574.1126D52  595161404842362 2    832361 2      C-13-H3C(O)CH3
  993814.8776  0.1784 -5.2973 3 1574.1126D52  595161404842262 2    832261 2      C-13-H3C(O)CH3
  993814.8776  0.1784 -5.4109 3 1574.1126D52  595161404842262 2    832361 2      C-13-H3C(O)CH3
  993814.8776  0.1784 -5.4109 3 1574.1126D52  595161404842362 2    832261 2      C-13-H3C(O)CH3
  993843.9802  0.0439 -3.8318 3  806.9958404  5951614045049 2 3    4948 2 3      C-13-H3C(O)CH3
  993854.8744  0.0185 -4.0998 3  827.5169436  595161404544015 4    533915 4      C-13-H3C(O)CH3
  993878.5270  0.0404 -3.5306 3  806.9287808  5951614045049 2 2    4948 2 2      C-13-H3C(O)CH3
  993882.4964  0.0374 -3.5307 3  806.9623808  5951614045049 2 1    4948 2 1      C-13-H3C(O)CH3
  993945.9370  0.0429 -3.8317 3  807.0128404  5951614045049 1 3    4948 1 3      C-13-H3C(O)CH3
  994067.5664  0.0566 -3.8315 3  806.9630404  5951614045049 2 4    4948 2 4      C-13-H3C(O)CH3
  994366.6899  0.0102 -4.5586 3  400.8227340  595161404421528 4    411229 4      C-13-H3C(O)CH3
  994366.6899  0.0102 -5.7029 3  400.8227340  595161404421528 4    411329 4      C-13-H3C(O)CH3
  994366.6899  0.0102 -4.5586 3  400.8227340  595161404421428 4    411329 4      C-13-H3C(O)CH3
  994366.6899  0.0102 -5.7024 3  400.8227340  595161404421428 4    411229 4      C-13-H3C(O)CH3
  994367.0165  0.0102 -4.5339 3  400.8227340  595161404421428 3    411329 3      C-13-H3C(O)CH3
  994367.0165  0.0102 -4.5339 3  400.8227340  595161404421528 3    411229 3      C-13-H3C(O)CH3
  994383.7094  0.0096 -4.2382 3  400.8504680  595161404421528 2    411229 2      C-13-H3C(O)CH3
  994383.7094  0.0096 -4.2383 3  400.8504680  595161404421428 2    411329 2      C-13-H3C(O)CH3
  994383.7094  0.0096 -5.8401 3  400.8504680  595161404421428 2    411229 2      C-13-H3C(O)CH3
  994383.7094  0.0096 -5.8432 3  400.8504680  595161404421528 2    411329 2      C-13-H3C(O)CH3
  994389.0038  0.0097 -4.2283 3  400.8515680  595161404421528 1    411329 1      C-13-H3C(O)CH3
  994389.0038  0.0097 -4.2280 3  400.8515680  595161404421428 1    411229 1      C-13-H3C(O)CH3
  994391.3096  0.1345 -5.7277 3 1663.4827E80  595161404921479 0    911478 0      C-13-H3C(O)CH3
  994391.3096  0.1345 -5.2323 3 1663.4827E80  595161404921479 0    911378 0      C-13-H3C(O)CH3
  994391.3096  0.1345 -5.2323 3 1663.4827E80  595161404921379 0    911478 0      C-13-H3C(O)CH3
  994391.3096  0.1345 -5.7277 3 1663.4827E80  595161404921379 0    911378 0      C-13-H3C(O)CH3
  994405.6959  0.0077 -4.2282 3  400.8791680  595161404421428 0    411229 0      C-13-H3C(O)CH3
  994405.6959  0.0077 -4.2283 3  400.8791680  595161404421528 0    411329 0      C-13-H3C(O)CH3
  994420.4230  0.1317 -5.1144 3 1663.4964E80  595161404921379 1    911478 1      C-13-H3C(O)CH3
  994420.4230  0.1317 -5.1144 3 1663.4964E80  595161404921479 1    911378 1      C-13-H3C(O)CH3
  994421.6357  0.1359 -5.1122 3 1663.4965E80  595161404921479 2    911378 2      C-13-H3C(O)CH3
  994421.6357  0.1359 -5.1122 3 1663.4965E80  595161404921379 2    911478 2      C-13-H3C(O)CH3
  994450.7800  0.1216 -5.5483 3 1663.5102740  595161404921379 3    911378 3      C-13-H3C(O)CH3
  994450.7800  0.1216 -5.5483 3 1663.5102740  595161404921479 3    911478 3      C-13-H3C(O)CH3
  994450.8163  0.1216 -5.8764 3 1663.5102740  595161404921379 4    911478 4      C-13-H3C(O)CH3
  994450.8163  0.1216 -5.5960 3 1663.5102740  595161404921379 4    911378 4      C-13-H3C(O)CH3
  994450.8163  0.1216 -5.8764 3 1663.5102740  595161404921479 4    911378 4      C-13-H3C(O)CH3
  994450.8163  0.1216 -5.5960 3 1663.5102740  595161404921479 4    911478 4      C-13-H3C(O)CH3
  994687.9015  0.0974 -5.2004 3 1373.4209588  595161404733439 4    723538 4      C-13-H3C(O)CH3
  994687.9059  0.0974 -5.2004 3 1373.4209588  595161404733539 4    723438 4      C-13-H3C(O)CH3
  994687.9346  0.0974 -5.2004 3 1373.4209588  595161404733439 3    723538 3      C-13-H3C(O)CH3
  994687.9390  0.0974 -5.2004 3 1373.4209588  595161404733539 3    723438 3      C-13-H3C(O)CH3
  994696.9662  0.1054 -4.8994 3 1373.4029B76  595161404733439 1    723538 1      C-13-H3C(O)CH3
  994696.9706  0.1054 -4.8994 3 1373.4029B76  595161404733539 1    723438 1      C-13-H3C(O)CH3
  994697.9426  0.1073 -4.8994 3 1373.4057B76  595161404733439 2    723538 2      C-13-H3C(O)CH3
  994697.9460  0.1073 -4.8994 3 1373.4057B76  595161404733539 2    723438 2      C-13-H3C(O)CH3
  994706.9670  0.1069 -4.8993 3 1373.3878B76  595161404733439 0    723538 0      C-13-H3C(O)CH3
  994706.9703  0.1069 -4.8993 3 1373.3878B76  595161404733539 0    723438 0      C-13-H3C(O)CH3
  994711.4398  0.1020 -5.2141 3 1396.2092596  595161404743341 4    733440 4      C-13-H3C(O)CH3
  994711.4399  0.1020 -5.2141 3 1396.2092596  595161404743441 4    733340 4      C-13-H3C(O)CH3
  994711.4726  0.1021 -5.2141 3 1396.2092596  595161404743341 3    733440 3      C-13-H3C(O)CH3
  994711.4727  0.1021 -5.2141 3 1396.2092596  595161404743441 3    733340 3      C-13-H3C(O)CH3
  994722.3215  0.1122 -4.9130 3 1396.1907B92  595161404743341 1    733440 1      C-13-H3C(O)CH3
  994722.3216  0.1122 -4.9130 3 1396.1907B92  595161404743441 1    733340 1      C-13-H3C(O)CH3
  994723.9634  0.1139 -4.9132 3 1396.1934B92  595161404743341 2    733440 2      C-13-H3C(O)CH3
  994723.9634  0.1139 -4.9132 3 1396.1934B92  595161404743441 2    733340 2      C-13-H3C(O)CH3
  994734.8032  0.1135 -4.9130 3 1396.1750B92  595161404743341 0    733440 0      C-13-H3C(O)CH3
  994734.8033  0.1135 -4.9130 3 1396.1750B92  595161404743441 0    733340 0      C-13-H3C(O)CH3
  994827.8625  0.0985 -5.1607 3 1702.7956F92  59516140499 594 0    98 593 0      C-13-H3C(O)CH3
  994827.8625  0.0985 -5.1607 3 1702.7956F92  59516140499 694 0    98 693 0      C-13-H3C(O)CH3
  994835.4194  0.1279 -5.2652 3 1702.7631F92  59516140499 594 1    98 593 1      C-13-H3C(O)CH3
  994835.4194  0.1279 -5.6218 3 1702.7631F92  59516140499 594 1    98 693 1      C-13-H3C(O)CH3
  994835.4194  0.1279 -5.2652 3 1702.7631F92  59516140499 694 1    98 693 1      C-13-H3C(O)CH3
  994835.4194  0.1279 -5.6218 3 1702.7631F92  59516140499 694 1    98 593 1      C-13-H3C(O)CH3
  994835.5001  0.1236 -5.4519 3 1702.7630F92  59516140499 594 2    98 593 2      C-13-H3C(O)CH3
  994835.5001  0.1236 -5.3679 3 1702.7630F92  59516140499 594 2    98 693 2      C-13-H3C(O)CH3
  994835.5001  0.1236 -5.4519 3 1702.7630F92  59516140499 694 2    98 693 2      C-13-H3C(O)CH3
  994835.5001  0.1236 -5.3679 3 1702.7630F92  59516140499 694 2    98 593 2      C-13-H3C(O)CH3
  994843.0487  0.0807 -5.7777 3 1702.7304796  59516140499 694 4    98 693 4      C-13-H3C(O)CH3
  994843.0487  0.0807 -5.7777 3 1702.7304796  59516140499 594 4    98 593 4      C-13-H3C(O)CH3
  994843.0487  0.0807 -5.6494 3 1702.7304796  59516140499 594 4    98 693 4      C-13-H3C(O)CH3
  994843.0487  0.0807 -5.6494 3 1702.7304796  59516140499 694 4    98 593 4      C-13-H3C(O)CH3
  994843.0632  0.0807 -5.7974 3 1702.7305796  59516140499 594 3    98 593 3      C-13-H3C(O)CH3
  994843.0632  0.0807 -5.6353 3 1702.7305796  59516140499 594 3    98 693 3      C-13-H3C(O)CH3
  994843.0632  0.0807 -5.7974 3 1702.7305796  59516140499 694 3    98 693 3      C-13-H3C(O)CH3
  994843.0632  0.0807 -5.6353 3 1702.7305796  59516140499 694 3    98 593 3      C-13-H3C(O)CH3
  994857.5978  0.1806 -5.4163 3 1589.8880D68  595161404852164 1    842163 1      C-13-H3C(O)CH3
  994857.5978  0.1806 -5.6223 3 1589.8880D68  595161404852264 1    842263 1      C-13-H3C(O)CH3
  994857.5978  0.1806 -5.3210 3 1589.8880D68  595161404852264 1    842163 1      C-13-H3C(O)CH3
  994857.5978  0.1806 -5.2060 3 1589.8880D68  595161404852164 1    842263 1      C-13-H3C(O)CH3
  994857.7930  0.1718 -5.2440 3 1589.8666D68  595161404852164 0    842263 0      C-13-H3C(O)CH3
  994857.7930  0.1718 -5.5363 3 1589.8666D68  595161404852164 0    842163 0      C-13-H3C(O)CH3
  994857.7930  0.1718 -5.2440 3 1589.8666D68  595161404852264 0    842163 0      C-13-H3C(O)CH3
  994857.7930  0.1718 -5.5363 3 1589.8666D68  595161404852264 0    842263 0      C-13-H3C(O)CH3
  994862.0409  0.1352 -5.3792 3 1589.9114684  595161404852164 3    842263 3      C-13-H3C(O)CH3
  994862.0409  0.1352 -5.3792 3 1589.9114684  595161404852264 3    842163 3      C-13-H3C(O)CH3
  994862.0479  0.1352 -5.5242 3 1589.9114684  595161404852264 4    842163 4      C-13-H3C(O)CH3
  994862.0479  0.1352 -5.5242 3 1589.9114684  595161404852164 4    842263 4      C-13-H3C(O)CH3
  994862.0479  0.1352 -5.8815 3 1589.9114684  595161404852264 4    842263 4      C-13-H3C(O)CH3
  994862.0479  0.1352 -5.8815 3 1589.9114684  595161404852164 4    842163 4      C-13-H3C(O)CH3
  994862.2227  0.1827 -5.5111 3 1589.8900D68  595161404852164 2    842263 2      C-13-H3C(O)CH3
  994862.2227  0.1827 -5.2575 3 1589.8900D68  595161404852264 2    842263 2      C-13-H3C(O)CH3
  994862.2227  0.1827 -5.2575 3 1589.8900D68  595161404852164 2    842163 2      C-13-H3C(O)CH3
  994862.2227  0.1827 -5.5111 3 1589.8900D68  595161404852264 2    842163 2      C-13-H3C(O)CH3
  994936.2890  0.0358 -4.1041 3  855.1294904  595161404563620 0    553521 0      C-13-H3C(O)CH3
  994990.2616  0.1066 -5.2299 3 1418.3471604  595161404753343 4    743242 4      C-13-H3C(O)CH3
  994990.2616  0.1066 -5.2299 3 1418.3471604  595161404753243 4    743342 4      C-13-H3C(O)CH3
  994990.2930  0.1066 -5.2295 3 1418.3470604  595161404753343 3    743242 3      C-13-H3C(O)CH3
  994990.2930  0.1066 -5.2295 3 1418.3470604  595161404753243 3    743342 3      C-13-H3C(O)CH3
  995002.0923  0.1193 -4.9285 3 1418.3281C08  595161404753343 1    743242 1      C-13-H3C(O)CH3
  995002.0923  0.1193 -4.9285 3 1418.3281C08  595161404753243 1    743342 1      C-13-H3C(O)CH3
  995004.3105  0.1206 -4.9290 3 1418.3308C08  595161404753343 2    743242 2      C-13-H3C(O)CH3
  995004.3105  0.1206 -4.9288 3 1418.3308C08  595161404753243 2    743342 2      C-13-H3C(O)CH3
  995016.1007  0.1202 -4.9291 3 1418.3119C08  595161404753343 0    743242 0      C-13-H3C(O)CH3
  995016.1007  0.1202 -4.9287 3 1418.3119C08  595161404753243 0    743342 0      C-13-H3C(O)CH3
  995036.0216  0.0926 -5.1896 3 1349.9479580  595161404723537 4    713636 4      C-13-H3C(O)CH3
  995036.0524  0.0926 -5.1896 3 1349.9479580  595161404723537 3    713636 3      C-13-H3C(O)CH3
  995036.2069  0.0925 -5.1896 3 1349.9479580  595161404723637 4    713536 4      C-13-H3C(O)CH3
  995036.2383  0.0926 -5.1896 3 1349.9478580  595161404723637 3    713536 3      C-13-H3C(O)CH3
  995041.9320  0.0988 -4.8886 3 1349.9305B60  595161404723537 1    713636 1      C-13-H3C(O)CH3
  995042.1008  0.1008 -4.8886 3 1349.9335B60  595161404723537 2    713636 2      C-13-H3C(O)CH3
  995042.1124  0.0988 -4.8886 3 1349.9305B60  595161404723637 1    713536 1      C-13-H3C(O)CH3
  995042.2561  0.1008 -4.8886 3 1349.9335B60  595161404723637 2    713536 2      C-13-H3C(O)CH3
  995047.9785  0.1004 -4.8885 3 1349.9162B60  595161404723537 0    713636 0      C-13-H3C(O)CH3
  995048.1290  0.1005 -4.8885 3 1349.9162B60  595161404723637 0    713536 0      C-13-H3C(O)CH3
  995126.8580  0.0316 -4.4033 3  855.1695452  595161404563620 3    553521 3      C-13-H3C(O)CH3
  995161.2068  0.0544 -4.1243 3  855.1468904  595161404563620 1    553521 1      C-13-H3C(O)CH3
  995212.8553  0.0651 -4.1321 3  855.1481904  595161404563620 2    553521 2      C-13-H3C(O)CH3
  995385.8003  1.4984 -5.7556 3 1368.4744572  595161404714229 3    704328 3      C-13-H3C(O)CH3
  995391.7880  1.4613 -5.7557 3 1368.4742572  595161404714229 4    704328 4      C-13-H3C(O)CH3
  995452.0440  0.1111 -5.2780 3 1439.8587612  595161404763245 4    753144 4      C-13-H3C(O)CH3
  995452.0440  0.1111 -5.2780 3 1439.8587612  595161404763145 4    753244 4      C-13-H3C(O)CH3
  995452.0733  0.1111 -5.3300 3 1439.8587612  595161404763145 3    753144 3      C-13-H3C(O)CH3
  995452.0733  0.1111 -5.3300 3 1439.8587612  595161404763245 3    753244 3      C-13-H3C(O)CH3
  995464.2093  0.1265 -4.9451 3 1439.8393C24  595161404763145 1    753244 1      C-13-H3C(O)CH3
  995464.2093  0.1265 -4.9467 3 1439.8393C24  595161404763245 1    753144 1      C-13-H3C(O)CH3
  995466.9412  0.1274 -5.2109 3 1439.8420C24  595161404763145 2    753144 2      C-13-H3C(O)CH3
  995466.9412  0.1274 -5.2846 3 1439.8420C24  595161404763145 2    753244 2      C-13-H3C(O)CH3
  995466.9412  0.1274 -5.2109 3 1439.8420C24  595161404763245 2    753244 2      C-13-H3C(O)CH3
  995466.9412  0.1274 -5.2846 3 1439.8420C24  595161404763245 2    753144 2      C-13-H3C(O)CH3
  995479.0689  0.1270 -5.2183 3 1439.8227C24  595161404763245 0    753144 0      C-13-H3C(O)CH3
  995479.0689  0.1270 -5.2758 3 1439.8227C24  595161404763145 0    753144 0      C-13-H3C(O)CH3
  995479.0689  0.1270 -5.2183 3 1439.8227C24  595161404763145 0    753244 0      C-13-H3C(O)CH3
  995479.0689  0.1270 -5.2758 3 1439.8227C24  595161404763245 0    753244 0      C-13-H3C(O)CH3
  995529.6695  0.0163 -4.7371 3  469.8039680  595161404422715 0    412418 0      C-13-H3C(O)CH3
  995577.8729  0.1270 -5.1752 3 1674.3896E96  595161404931281 0    921380 0      C-13-H3C(O)CH3
  995577.8729  0.1270 -5.1752 3 1674.3896E96  595161404931381 0    921280 0      C-13-H3C(O)CH3
  995588.5423  0.0083 -4.1304 3  474.6876712  595161404441925 0    431826 0      C-13-H3C(O)CH3
  995588.5600  0.0083 -4.1304 3  474.6876712  595161404442025 0    431726 0      C-13-H3C(O)CH3
  995609.6605  0.1239 -5.1769 3 1674.4000E96  595161404931381 1    921280 1      C-13-H3C(O)CH3
  995609.6605  0.1239 -5.1769 3 1674.4000E96  595161404931281 1    921380 1      C-13-H3C(O)CH3
  995610.4113  0.1255 -5.1341 3 1674.3999E96  595161404931281 2    921380 2      C-13-H3C(O)CH3
  995610.4113  0.1255 -5.1212 3 1674.3999E96  595161404931381 2    921280 2      C-13-H3C(O)CH3
  995642.2287  0.1192 -5.7153 3 1674.4102748  595161404931381 3    921380 3      C-13-H3C(O)CH3
  995642.2287  0.1192 -5.7313 3 1674.4102748  595161404931281 3    921380 3      C-13-H3C(O)CH3
  995642.2287  0.1192 -5.7153 3 1674.4102748  595161404931281 3    921280 3      C-13-H3C(O)CH3
  995642.2287  0.1192 -5.7313 3 1674.4102748  595161404931381 3    921280 3      C-13-H3C(O)CH3
  995642.2676  0.1192 -5.5405 3 1674.4102748  595161404931281 4    921280 4      C-13-H3C(O)CH3
  995642.2676  0.1192 -5.5405 3 1674.4102748  595161404931381 4    921380 4      C-13-H3C(O)CH3
  995666.2755  0.0107 -4.1302 3  474.6601712  595161404441925 2    431826 2      C-13-H3C(O)CH3
  995666.2954  0.0107 -4.1302 3  474.6601712  595161404442025 2    431726 2      C-13-H3C(O)CH3
  995669.3691  0.0179 -3.5783 3  811.4423824  5951614045147 4 1    5046 4 1      C-13-H3C(O)CH3
  995672.7331  0.0093 -4.1301 3  474.6617712  595161404441925 1    431826 1      C-13-H3C(O)CH3
  995672.7523  0.0093 -4.1301 3  474.6617712  595161404442025 1    431726 1      C-13-H3C(O)CH3
  995675.3404  0.0170 -3.5782 3  811.3950824  5951614045147 4 0    5046 4 0      C-13-H3C(O)CH3
  995675.3404  0.0170 -3.5782 3  811.3950824  5951614045147 5 0    5046 5 0      C-13-H3C(O)CH3
  995690.5661  0.0232 -3.8793 3  811.4672412  5951614045147 4 4    5046 4 4      C-13-H3C(O)CH3
  995696.0509  0.0184 -3.5782 3  811.4200824  5951614045147 4 2    5046 4 2      C-13-H3C(O)CH3
  995702.6809  0.1844 -4.5665 3  786.0962436  595161404543321 3    533222 3      C-13-H3C(O)CH3
  995732.5205  0.1460 -4.4968 3  855.1616452  595161404563620 4    553521 4      C-13-H3C(O)CH3
  995734.6196  0.0167 -4.7373 3  469.7839680  595161404422715 1    412418 1      C-13-H3C(O)CH3
  995750.6285  0.0119 -4.4308 3  474.6341356  595161404441925 3    431826 3      C-13-H3C(O)CH3
  995750.6404  0.0119 -4.4308 3  474.6341356  595161404441925 4    431826 4      C-13-H3C(O)CH3
  995750.6501  0.0119 -4.4308 3  474.6341356  595161404442025 3    431726 3      C-13-H3C(O)CH3
  995750.6618  0.0119 -4.4308 3  474.6341356  595161404442025 4    431726 4      C-13-H3C(O)CH3
  995765.3575  0.1736 -4.5674 3  786.0955436  595161404543321 4    533222 4      C-13-H3C(O)CH3
  995771.6382  0.0256 -3.8792 3  811.4422412  5951614045147 4 3    5046 4 3      C-13-H3C(O)CH3
  995777.6162  0.0211 -3.5782 3  811.3950824  5951614045147 5 2    5046 5 2      C-13-H3C(O)CH3
  995828.6732  0.0202 -3.5781 3  811.4119824  5951614045147 5 1    5046 5 1      C-13-H3C(O)CH3
  995849.3024  0.0255 -3.8791 3  811.4368412  5951614045147 5 3    5046 5 3      C-13-H3C(O)CH3
  995906.3041  0.0166 -4.7396 3  469.7787680  595161404422715 2    412418 2      C-13-H3C(O)CH3
  995923.3873  0.1736 -5.0804 3 1605.0991D84  595161404862166 0    852165 0      C-13-H3C(O)CH3
  995923.3873  0.1736 -5.0804 3 1605.0991D84  595161404862066 0    852065 0      C-13-H3C(O)CH3
  995926.1420  0.1829 -5.1180 3 1605.1207D84  595161404862166 1    852065 1      C-13-H3C(O)CH3
  995926.1420  0.1829 -5.1180 3 1605.1207D84  595161404862066 1    852165 1      C-13-H3C(O)CH3
  995928.6903  0.2335 -5.1459 3  860.8010452  595161404563720 4    553619 4      C-13-H3C(O)CH3
  995930.3934  0.0310 -3.8791 3  811.4118412  5951614045147 5 4    5046 5 4      C-13-H3C(O)CH3
  995930.5887  0.1858 -5.4993 3 1605.1225D84  595161404862066 2    852165 2      C-13-H3C(O)CH3
  995930.5887  0.1858 -5.2884 3 1605.1225D84  595161404862166 2    852165 2      C-13-H3C(O)CH3
  995930.5887  0.1858 -5.0894 3 1605.1225D84  595161404862166 2    852065 2      C-13-H3C(O)CH3
  995933.3592  0.1363 -5.4396 3 1605.1441692  595161404862166 3    852165 3      C-13-H3C(O)CH3
  995933.3592  0.1363 -5.9157 3 1605.1441692  595161404862066 3    852065 3      C-13-H3C(O)CH3
  995933.3592  0.1363 -5.5312 3 1605.1441692  595161404862166 3    852065 3      C-13-H3C(O)CH3
  995933.3699  0.1363 -5.4257 3 1605.1441692  595161404862066 4    852165 4      C-13-H3C(O)CH3
  995933.3699  0.1363 -5.4257 3 1605.1441692  595161404862166 4    852065 4      C-13-H3C(O)CH3
  995955.4280  0.0942 -4.8823 3 1325.7265B44  595161404713635 2    703734 2      C-13-H3C(O)CH3
  995955.6316  0.0874 -5.1834 3 1325.7397572  595161404713635 4    703734 4      C-13-H3C(O)CH3
  995955.6496  0.0874 -5.1834 3 1325.7397572  595161404713635 3    703734 3      C-13-H3C(O)CH3
  995955.9442  0.0941 -4.8822 3 1325.7101B44  595161404713635 0    703734 0      C-13-H3C(O)CH3
  995956.1629  0.0922 -4.8823 3 1325.7233B44  595161404713635 1    703734 1      C-13-H3C(O)CH3
  995961.0378  0.0940 -4.8823 3 1325.7264B44  595161404713735 2    703634 2      C-13-H3C(O)CH3
  995961.3610  0.0943 -4.8822 3 1325.7100B44  595161404713735 0    703634 0      C-13-H3C(O)CH3
  995961.9537  0.0870 -5.1833 3 1325.7396572  595161404713735 4    703634 4      C-13-H3C(O)CH3
  995961.9841  0.0871 -5.1833 3 1325.7395572  595161404713735 3    703634 3      C-13-H3C(O)CH3
  995962.2831  0.0922 -4.8823 3 1325.7231B44  595161404713735 1    703634 1      C-13-H3C(O)CH3
  995962.3155  1.2589 -5.4532 3 1368.4573B44  595161404714229 1    704328 1      C-13-H3C(O)CH3
  996042.0503  0.0140 -5.0366 3  469.7586340  595161404422715 3    412418 3      C-13-H3C(O)CH3
  996049.3564  0.1155 -5.4805 3 1460.7623620  595161404773147 4    763046 4      C-13-H3C(O)CH3
  996049.3564  0.1155 -5.4805 3 1460.7623620  595161404773047 4    763146 4      C-13-H3C(O)CH3
  996049.3564  0.1155 -5.6691 3 1460.7623620  595161404773047 4    763046 4      C-13-H3C(O)CH3
  996049.3564  0.1155 -5.6691 3 1460.7623620  595161404773147 4    763146 4      C-13-H3C(O)CH3
  996049.3832  0.1155 -5.3016 3 1460.7623620  595161404773147 3    763046 3      C-13-H3C(O)CH3
  996049.3832  0.1155 -5.3016 3 1460.7623620  595161404773047 3    763146 3      C-13-H3C(O)CH3
  996061.3886  0.1338 -4.9630 3 1460.7425C40  595161404773047 1    763146 1      C-13-H3C(O)CH3
  996061.3886  0.1338 -4.9630 3 1460.7425C40  595161404773147 1    763046 1      C-13-H3C(O)CH3
  996064.5832  0.1345 -5.1027 3 1460.7451C40  595161404773147 2    763146 2      C-13-H3C(O)CH3
  996064.5832  0.1345 -5.5219 3 1460.7451C40  595161404773147 2    763046 2      C-13-H3C(O)CH3
  996064.5832  0.1345 -5.5219 3 1460.7451C40  595161404773047 2    763146 2      C-13-H3C(O)CH3
  996064.5832  0.1345 -5.1027 3 1460.7451C40  595161404773047 2    763046 2      C-13-H3C(O)CH3
  996076.5816  0.1337 -4.9642 3 1460.7254C40  595161404773047 0    763046 0      C-13-H3C(O)CH3
  996076.5816  0.1337 -4.9651 3 1460.7254C40  595161404773147 0    763046 0      C-13-H3C(O)CH3
  996076.5816  0.1337 -5.4140 3 1460.7254C40  595161404773047 0    763146 0      C-13-H3C(O)CH3
  996076.5816  0.1337 -5.2715 3 1460.7254C40  595161404773147 0    763146 0      C-13-H3C(O)CH3
  996130.9193  0.0677 -5.4120 3 1709.3771804  595161404A0 496 4    99 595 4      C-13-H3C(O)CH3
  996130.9193  0.0677 -5.4120 3 1709.3771804  595161404A0 596 4    99 495 4      C-13-H3C(O)CH3
  996130.9533  0.0677 -5.4278 3 1709.3771804  595161404A0 496 3    99 495 3      C-13-H3C(O)CH3
  996130.9533  0.0677 -5.4278 3 1709.3771804  595161404A0 596 3    99 595 3      C-13-H3C(O)CH3
  996134.3635  0.1028 -5.1093 3 1709.4126G08  595161404A0 596 1    99 495 1      C-13-H3C(O)CH3
  996134.3635  0.1028 -5.1093 3 1709.4126G08  595161404A0 496 1    99 595 1      C-13-H3C(O)CH3
  996134.4740  0.1017 -5.1535 3 1709.4125G08  595161404A0 496 2    99 495 2      C-13-H3C(O)CH3
  996134.4740  0.1017 -5.1535 3 1709.4125G08  595161404A0 596 2    99 595 2      C-13-H3C(O)CH3
  996137.8971  0.0816 -5.4596 3 1709.4479G08  595161404A0 496 0    99 495 0      C-13-H3C(O)CH3
  996137.8971  0.0816 -5.3661 3 1709.4479G08  595161404A0 596 0    99 495 0      C-13-H3C(O)CH3
  996137.8971  0.0816 -5.4596 3 1709.4479G08  595161404A0 596 0    99 595 0      C-13-H3C(O)CH3
  996137.8971  0.0816 -5.3661 3 1709.4479G08  595161404A0 496 0    99 595 0      C-13-H3C(O)CH3
  996170.3643  0.1837 -4.2685 3  786.0946872  595161404543321 2    533222 2      C-13-H3C(O)CH3
  996176.5217  0.0182 -5.0446 3  469.7585340  595161404422715 4    412418 4      C-13-H3C(O)CH3
  996263.6048  0.1159 -4.2690 3  786.0957872  595161404543321 1    533222 1      C-13-H3C(O)CH3
  996308.3466  0.0621 -5.9533 3  883.4541460  595161404573621 4    563521 4      C-13-H3C(O)CH3
  996610.6447  0.0293 -4.7162 3  499.6748696  595161404432915 0    422616 0      C-13-H3C(O)CH3
  996626.1196  0.1549 -4.4579 3  860.7603904  595161404563720 2    553619 2      C-13-H3C(O)CH3
  996633.2201  1.6957 -5.4515 3 1368.4542B44  595161404714229 2    704328 2      C-13-H3C(O)CH3
  996707.5328  0.1206 -4.2717 3  786.0945872  595161404543321 0    533222 0      C-13-H3C(O)CH3
  996736.6858  0.0290 -4.8218 3  499.6560696  595161404432915 1    422616 1      C-13-H3C(O)CH3
  996749.8123  0.1197 -5.2840 3 1481.0716628  595161404783049 4    773048 4      C-13-H3C(O)CH3
  996749.8123  0.1197 -5.4778 3 1481.0716628  595161404782949 4    772948 4      C-13-H3C(O)CH3
  996749.8123  0.1197 -5.7206 3 1481.0716628  595161404783049 4    772948 4      C-13-H3C(O)CH3
  996749.8362  0.1197 -5.7076 3 1481.0715628  595161404783049 3    772948 3      C-13-H3C(O)CH3
  996749.8362  0.1197 -5.4855 3 1481.0715628  595161404783049 3    773048 3      C-13-H3C(O)CH3
  996749.8362  0.1197 -5.4855 3 1481.0715628  595161404782949 3    772948 3      C-13-H3C(O)CH3
  996749.8362  0.1197 -5.7076 3 1481.0715628  595161404782949 3    773048 3      C-13-H3C(O)CH3
  996761.3327  0.1413 -5.2548 3 1481.0513C56  595161404782949 1    772948 1      C-13-H3C(O)CH3
  996761.3327  0.1413 -5.3098 3 1481.0513C56  595161404782949 1    773048 1      C-13-H3C(O)CH3
  996761.3327  0.1413 -5.3098 3 1481.0513C56  595161404783049 1    772948 1      C-13-H3C(O)CH3
  996761.3327  0.1413 -5.2548 3 1481.0513C56  595161404783049 1    773048 1      C-13-H3C(O)CH3
  996764.9434  0.1416 -5.1048 3 1481.0540C56  595161404783049 2    773048 2      C-13-H3C(O)CH3
  996764.9434  0.1416 -5.1048 3 1481.0540C56  595161404782949 2    772948 2      C-13-H3C(O)CH3
  996764.9434  0.1416 -5.5840 3 1481.0540C56  595161404782949 2    773048 2      C-13-H3C(O)CH3
  996764.9434  0.1416 -5.5840 3 1481.0540C56  595161404783049 2    772948 2      C-13-H3C(O)CH3
  996772.7516  0.1059 -4.3640 3  860.7536904  595161404563720 1    553619 1      C-13-H3C(O)CH3
  996776.4346  0.1404 -5.2536 3 1481.0338C56  595161404783049 0    772948 0      C-13-H3C(O)CH3
  996776.4346  0.1404 -5.3111 3 1481.0338C56  595161404783049 0    773048 0      C-13-H3C(O)CH3
  996776.4346  0.1404 -5.2536 3 1481.0338C56  595161404782949 0    773048 0      C-13-H3C(O)CH3
  996776.4346  0.1404 -5.3111 3 1481.0338C56  595161404782949 0    772948 0      C-13-H3C(O)CH3
  996778.8902  0.1208 -5.2788 3 1684.7673F12  595161404941283 0    931182 0      C-13-H3C(O)CH3
  996778.8902  0.1208 -5.6664 3 1684.7673F12  595161404941283 0    931282 0      C-13-H3C(O)CH3
  996778.8902  0.1208 -5.2788 3 1684.7673F12  595161404941183 0    931282 0      C-13-H3C(O)CH3
  996778.8902  0.1208 -5.6664 3 1684.7673F12  595161404941183 0    931182 0      C-13-H3C(O)CH3
  996812.5067  0.1205 -5.1297 3 1684.7735F12  595161404941283 1    931182 1      C-13-H3C(O)CH3
  996812.5067  0.1205 -5.1297 3 1684.7735F12  595161404941183 1    931282 1      C-13-H3C(O)CH3
  996812.8658  0.1185 -5.2065 3 1684.7733F12  595161404941183 2    931182 2      C-13-H3C(O)CH3
  996812.8658  0.1185 -5.9197 3 1684.7733F12  595161404941283 2    931182 2      C-13-H3C(O)CH3
  996812.8658  0.1185 -5.2065 3 1684.7733F12  595161404941283 2    931282 2      C-13-H3C(O)CH3
  996812.8658  0.1185 -5.9197 3 1684.7733F12  595161404941183 2    931282 2      C-13-H3C(O)CH3
  996846.5092  0.1167 -5.4612 3 1684.7795756  595161404941283 3    931182 3      C-13-H3C(O)CH3
  996846.5092  0.1167 -5.4612 3 1684.7795756  595161404941183 3    931282 3      C-13-H3C(O)CH3
  996846.5501  0.1167 -5.4315 3 1684.7795756  595161404941183 4    931282 4      C-13-H3C(O)CH3
  996846.5501  0.1167 -5.4315 3 1684.7795756  595161404941283 4    931182 4      C-13-H3C(O)CH3
  996897.2048  0.0110 -5.3585 3  359.3219332  595161404411130 4    401031 4      C-13-H3C(O)CH3
  996897.2048  0.0110 -4.7415 3  359.3219332  595161404411130 4    40 931 4      C-13-H3C(O)CH3
  996897.2048  0.0110 -4.7415 3  359.3219332  595161404411230 4    401031 4      C-13-H3C(O)CH3
  996897.2048  0.0110 -5.3585 3  359.3219332  595161404411230 4    40 931 4      C-13-H3C(O)CH3
  996897.7515  0.0106 -5.2889 3  359.3219332  595161404411230 3    40 931 3      C-13-H3C(O)CH3
  996897.7515  0.0106 -4.7601 3  359.3219332  595161404411130 3    40 931 3      C-13-H3C(O)CH3
  996897.7515  0.0106 -5.2889 3  359.3219332  595161404411130 3    401031 3      C-13-H3C(O)CH3
  996897.7515  0.0106 -4.7601 3  359.3219332  595161404411230 3    401031 3      C-13-H3C(O)CH3
  996915.5814  0.0557 -4.3217 3  617.4091776  595161404483019 0    472720 0      C-13-H3C(O)CH3
  996977.1859  0.0242 -5.7734 3  353.5923284  5951614043530 6 4    3427 8 4      C-13-H3C(O)CH3
  997007.7465  0.1742 -5.4212 3 1619.7892E00  595161404872068 0    861967 0      C-13-H3C(O)CH3
  997007.7465  0.1742 -5.4212 3 1619.7892E00  595161404871968 0    862067 0      C-13-H3C(O)CH3
  997007.7465  0.1742 -5.3714 3 1619.7892E00  595161404872068 0    862067 0      C-13-H3C(O)CH3
  997007.7465  0.1742 -5.3714 3 1619.7892E00  595161404871968 0    861967 0      C-13-H3C(O)CH3
  997013.7418  0.1834 -5.1216 3 1619.8108E00  595161404872068 1    861967 1      C-13-H3C(O)CH3
  997013.7418  0.1834 -5.1216 3 1619.8108E00  595161404871968 1    862067 1      C-13-H3C(O)CH3
  997017.9263  0.1873 -5.3325 3 1619.8124E00  595161404871968 2    861967 2      C-13-H3C(O)CH3
  997017.9263  0.1873 -5.0957 3 1619.8124E00  595161404872068 2    861967 2      C-13-H3C(O)CH3
  997017.9263  0.1873 -5.4696 3 1619.8124E00  595161404871968 2    862067 2      C-13-H3C(O)CH3
  997023.9401  0.1370 -5.4352 3 1619.8341700  595161404872068 3    862067 3      C-13-H3C(O)CH3
  997023.9401  0.1370 -5.4352 3 1619.8341700  595161404871968 3    861967 3      C-13-H3C(O)CH3
  997023.9545  0.1370 -5.5513 3 1619.8341700  595161404871968 4    862067 4      C-13-H3C(O)CH3
  997023.9545  0.1370 -5.5513 3 1619.8341700  595161404872068 4    861967 4      C-13-H3C(O)CH3
  997023.9545  0.1370 -5.9170 3 1619.8341700  595161404872068 4    862067 4      C-13-H3C(O)CH3
  997023.9545  0.1370 -5.9170 3 1619.8341700  595161404871968 4    861967 4      C-13-H3C(O)CH3
  997037.2892  0.0245 -4.0346 3  860.7212904  595161404563720 0    553619 0      C-13-H3C(O)CH3
  997037.5552  0.0105 -4.5138 3  359.3441664  595161404411130 2    401031 2      C-13-H3C(O)CH3
  997037.5552  0.0105 -4.8417 3  359.3441664  595161404411130 2    40 931 2      C-13-H3C(O)CH3
  997037.5552  0.0105 -4.8417 3  359.3441664  595161404411230 2    401031 2      C-13-H3C(O)CH3
  997037.5552  0.0105 -4.5138 3  359.3441664  595161404411230 2    40 931 2      C-13-H3C(O)CH3
  997042.4003  0.0107 -4.6777 3  359.3449664  595161404411130 1    40 931 1      C-13-H3C(O)CH3
  997042.4003  0.0107 -4.6193 3  359.3449664  595161404411130 1    401031 1      C-13-H3C(O)CH3
  997042.4003  0.0107 -4.6193 3  359.3449664  595161404411230 1    40 931 1      C-13-H3C(O)CH3
  997042.4003  0.0107 -4.6777 3  359.3449664  595161404411230 1    401031 1      C-13-H3C(O)CH3
  997054.7878  0.0461 -5.2360 3  499.6266348  595161404432915 4    422616 4      C-13-H3C(O)CH3
  997130.5149  0.0443 -4.8777 3  499.6450696  595161404432915 2    422616 2      C-13-H3C(O)CH3
  997153.6090  0.0235 -5.7706 3  353.5963284  5951614043530 6 3    3427 8 3      C-13-H3C(O)CH3
  997181.9966  0.0093 -5.1290 3  359.3670664  595161404411130 0    401031 0      C-13-H3C(O)CH3
  997181.9966  0.0093 -4.4247 3  359.3670664  595161404411130 0    40 931 0      C-13-H3C(O)CH3
  997181.9966  0.0093 -4.4247 3  359.3670664  595161404411230 0    401031 0      C-13-H3C(O)CH3
  997181.9966  0.0093 -5.1290 3  359.3670664  595161404411230 0    40 931 0      C-13-H3C(O)CH3
  997204.9892  1.3464 -5.4500 3 1368.4373B44  595161404714229 0    704328 0      C-13-H3C(O)CH3
  997284.6334  0.0206 -5.4736 3  353.6186568  5951614043530 6 1    3427 8 1      C-13-H3C(O)CH3
  997332.7432  0.0196 -5.4758 3  353.6354568  5951614043530 6 2    3427 8 2      C-13-H3C(O)CH3
  997351.5956  0.0560 -4.3586 3  860.7782452  595161404563720 3    553619 3      C-13-H3C(O)CH3
  997419.5527  0.0462 -4.3237 3  617.3890776  595161404483019 1    472720 1      C-13-H3C(O)CH3
  997462.7573  0.0185 -3.9347 3  817.4979420  5951614045245 7 4    5144 7 4      C-13-H3C(O)CH3
  997472.1017  0.1577 -4.5392 3  817.7272444  595161404553421 3    543322 3      C-13-H3C(O)CH3
  997472.2020  0.0145 -3.6337 3  817.4655840 -5951614045245 7 2    5144 7 2      C-13-H3C(O)CH3
  997494.3386  0.0127 -3.6336 3  817.4808840 -5951614045245 7 1    5144 7 1      C-13-H3C(O)CH3
  997503.6429  0.0118 -3.6336 3  817.4483840  5951614045245 7 0    5144 7 0      C-13-H3C(O)CH3
  997503.6429  0.0118 -3.6336 3  817.4483840  5951614045245 8 0    5144 8 0      C-13-H3C(O)CH3
  997508.0424  0.0208 -5.4730 3  353.6392568  5951614043530 5 2    3427 7 2      C-13-H3C(O)CH3
  997520.7645  0.1903 -4.5871 3  755.0480428  595161404533221 3    523122 3      C-13-H3C(O)CH3
  997530.5993  0.1237 -5.3239 3 1500.7973636  595161404792951 4    782950 4      C-13-H3C(O)CH3
  997530.5993  0.1237 -5.3239 3 1500.7973636  595161404792851 4    782850 4      C-13-H3C(O)CH3
  997530.6201  0.1237 -5.3046 3 1500.7973636  595161404792951 3    782850 3      C-13-H3C(O)CH3
  997530.6201  0.1237 -5.3046 3 1500.7973636  595161404792851 3    782950 3      C-13-H3C(O)CH3
  997541.2846  0.1487 -5.0232 3 1500.7766C72  595161404792951 1    782850 1      C-13-H3C(O)CH3
  997541.2846  0.1487 -5.0232 3 1500.7766C72  595161404792851 1    782950 1      C-13-H3C(O)CH3
  997541.8396  0.0238 -5.7735 3  353.5984284  5951614043530 5 3    3427 7 3      C-13-H3C(O)CH3
  997545.2651  0.1489 -5.4749 3 1500.7792C72  595161404792951 2    782950 2      C-13-H3C(O)CH3
  997545.2651  0.1489 -5.1749 3 1500.7792C72  595161404792951 2    782850 2      C-13-H3C(O)CH3
  997545.2651  0.1489 -5.1749 3 1500.7792C72  595161404792851 2    782950 2      C-13-H3C(O)CH3
  997545.2651  0.1489 -5.4749 3 1500.7792C72  595161404792851 2    782850 2      C-13-H3C(O)CH3
  997551.3240  0.0190 -3.9347 3  817.4932420  5951614045245 7 3    5144 7 3      C-13-H3C(O)CH3
  997555.9261  0.1470 -4.9994 3 1500.7586C72  595161404792851 0    782850 0      C-13-H3C(O)CH3
  997555.9261  0.1470 -4.9994 3 1500.7586C72  595161404792951 0    782950 0      C-13-H3C(O)CH3
  997559.8823  0.1841 -4.5875 3  755.0476428  595161404533221 4    523122 4      C-13-H3C(O)CH3
  997560.9013  0.0143 -3.6337 3  817.4607840 -5951614045245 8 2    5144 8 2      C-13-H3C(O)CH3
  997573.4591  0.1400 -4.5414 3  817.7260444  595161404553421 4    543322 4      C-13-H3C(O)CH3
  997587.5841  0.0195 -3.9347 3  817.4772420  5951614045245 8 3    5144 8 3      C-13-H3C(O)CH3
  997619.3628  0.0134 -3.6336 3  817.4601840 -5951614045245 8 1    5144 8 1      C-13-H3C(O)CH3
  997643.9205  0.0204 -5.4770 3  353.6614568  5951614043530 6 0    3427 7 0      C-13-H3C(O)CH3
  997643.9831  0.0204 -5.4770 3  353.6614568  5951614043530 5 0    3427 8 0      C-13-H3C(O)CH3
  997676.7059  0.0211 -3.9347 3  817.4724420  5951614045245 8 4    5144 8 4      C-13-H3C(O)CH3
  997687.0693  0.0640 -4.3254 3  617.3798776  595161404483019 2    472720 2      C-13-H3C(O)CH3
  997715.2341  0.0269 -5.7707 3  353.6024284  5951614043530 5 4    3427 7 4      C-13-H3C(O)CH3
  997756.8503  0.0868 -4.8837 3 1300.6907B28  595161404703733 0    693832 0      C-13-H3C(O)CH3
  997763.3139  0.0854 -4.8839 3 1300.7021B28  595161404703733 1    693832 1      C-13-H3C(O)CH3
  997764.1847  0.0882 -4.8838 3 1300.7058B28  595161404703733 2    693832 2      C-13-H3C(O)CH3
  997770.5378  0.0836 -5.1850 3 1300.7172564  595161404703733 3    693832 3      C-13-H3C(O)CH3
  997770.6127  0.0834 -5.1850 3 1300.7173564  595161404703733 4    693832 4      C-13-H3C(O)CH3
  997800.4726  0.0363 -5.3805 3  499.6560696  595161404432914 1    422616 1      C-13-H3C(O)CH3
  997816.9112  0.1523 -4.2416 3  817.7213888  595161404553421 2    543322 2      C-13-H3C(O)CH3
  997828.3248  0.0156 -5.3405 3  358.8960600  595161404372414 0    361917 0      C-13-H3C(O)CH3
  997829.5803  0.0539 -5.0682 3  499.6259348  595161404432915 3    422616 3      C-13-H3C(O)CH3
  997848.2555  0.0212 -5.4736 3  353.6246568  5951614043530 5 1    3427 7 1      C-13-H3C(O)CH3
  997856.7660  0.0590 -4.4459 3  593.6817760  595161404473018 0    462719 0      C-13-H3C(O)CH3
  997866.7112  0.1025 -4.2419 3  817.7217888  595161404553421 1    543322 1      C-13-H3C(O)CH3
  997893.0944  0.0150 -5.3392 3  358.8732600  595161404372414 1    361917 1      C-13-H3C(O)CH3
  997901.9922  0.0292 -4.3082 3  860.7536904  595161404563719 1    553619 1      C-13-H3C(O)CH3
  997907.5658  0.0901 -4.8836 3 1300.6869B28  595161404703833 0    693732 0      C-13-H3C(O)CH3
  997916.7442  0.0334 -4.2393 3  860.7603904  595161404563719 2    553619 2      C-13-H3C(O)CH3
  997919.7742  0.0857 -4.8837 3 1300.7018B28  595161404703833 2    693732 2      C-13-H3C(O)CH3
  997926.7399  0.0862 -4.8837 3 1300.6980B28  595161404703833 1    693732 1      C-13-H3C(O)CH3
  997939.0944  0.0779 -5.1848 3 1300.7130564  595161404703833 4    693732 4      C-13-H3C(O)CH3
  997939.1762  0.0778 -5.1848 3 1300.7130564  595161404703833 3    693732 3      C-13-H3C(O)CH3
  997994.7716  0.1170 -5.1801 3 1694.6172F28  595161404951185 0    941184 0      C-13-H3C(O)CH3
  997994.7716  0.1170 -5.1801 3 1694.6172F28  595161404951085 0    941084 0      C-13-H3C(O)CH3
  998011.5242  0.0284 -5.6014 3  860.7782452  595161404563719 3    553619 3      C-13-H3C(O)CH3
  998029.0368  0.1232 -5.1514 3 1694.6183F28  595161404951185 1    941184 1      C-13-H3C(O)CH3
  998029.0368  0.1232 -5.1514 3 1694.6183F28  595161404951085 1    941084 1      C-13-H3C(O)CH3
  998029.1010  0.1173 -5.1470 3 1694.6180F28  595161404951085 2    941184 2      C-13-H3C(O)CH3
  998029.1010  0.1173 -5.1470 3 1694.6180F28  595161404951185 2    941084 2      C-13-H3C(O)CH3
  998052.4859  0.1925 -4.2886 3  755.0500856  595161404533221 2    523122 2      C-13-H3C(O)CH3
  998063.3884  0.1141 -5.6968 3 1694.6191764  595161404951085 3    941184 3      C-13-H3C(O)CH3
  998063.3884  0.1141 -5.7866 3 1694.6191764  595161404951085 3    941084 3      C-13-H3C(O)CH3
  998063.3884  0.1141 -5.7866 3 1694.6191764  595161404951185 3    941184 3      C-13-H3C(O)CH3
  998063.3884  0.1141 -5.6968 3 1694.6191764  595161404951185 3    941084 3      C-13-H3C(O)CH3
  998063.4300  0.1141 -5.6119 3 1694.6190764  595161404951085 4    941084 4      C-13-H3C(O)CH3
  998063.4300  0.1141 -5.9207 3 1694.6190764  595161404951185 4    941084 4      C-13-H3C(O)CH3
  998063.4300  0.1141 -5.6119 3 1694.6190764  595161404951185 4    941184 4      C-13-H3C(O)CH3
  998063.4300  0.1141 -5.9207 3 1694.6190764  595161404951085 4    941184 4      C-13-H3C(O)CH3
  998068.9359  0.0346 -4.4076 3  860.8010452  595161404563719 4    553619 4      C-13-H3C(O)CH3
  998096.3385  0.0161 -5.8360 3  473.8656680  595161404422815 1    412517 1      C-13-H3C(O)CH3
  998109.3132  0.1733 -5.1085 3 1633.9392E16  595161404881870 0    871869 0      C-13-H3C(O)CH3
  998109.3132  0.1733 -5.1128 3 1633.9392E16  595161404881970 0    871969 0      C-13-H3C(O)CH3
  998110.1566  0.0149 -5.3429 3  358.8668600  595161404372414 2    361917 2      C-13-H3C(O)CH3
  998118.8106  0.1818 -5.5935 3 1633.9606E16  595161404881970 1    871869 1      C-13-H3C(O)CH3
  998118.8106  0.1818 -5.5935 3 1633.9606E16  595161404881870 1    871969 1      C-13-H3C(O)CH3
  998118.8106  0.1818 -5.2807 3 1633.9606E16  595161404881970 1    871969 1      C-13-H3C(O)CH3
  998118.8106  0.1818 -5.2807 3 1633.9606E16  595161404881870 1    871869 1      C-13-H3C(O)CH3
  998122.6520  0.1867 -5.1370 3 1633.9620E16  595161404881970 2    871969 2      C-13-H3C(O)CH3
  998122.6520  0.1867 -5.1370 3 1633.9620E16  595161404881870 2    871869 2      C-13-H3C(O)CH3
  998132.1705  0.1373 -5.4802 3 1633.9835708  595161404881970 3    871969 3      C-13-H3C(O)CH3
  998132.1705  0.1373 -5.4802 3 1633.9835708  595161404881870 3    871869 3      C-13-H3C(O)CH3
  998132.1884  0.1373 -5.4312 3 1633.9835708  595161404881870 4    871869 4      C-13-H3C(O)CH3
  998132.1884  0.1373 -5.4312 3 1633.9835708  595161404881970 4    871969 4      C-13-H3C(O)CH3
  998146.0629  0.0495 -4.6292 3  617.3597388  595161404483019 4    472720 4      C-13-H3C(O)CH3
  998154.2096  0.0139 -5.6433 3  358.8440300  595161404372414 4    361917 4      C-13-H3C(O)CH3
  998169.4491  0.1057 -4.2443 3  817.7166888  595161404553421 0    543322 0      C-13-H3C(O)CH3
  998180.8825  0.0239 -5.6066 3  473.8433340  595161404422815 4    412517 4      C-13-H3C(O)CH3
  998187.1545  0.0150 -5.6415 3  358.8440300  595161404372414 3    361917 3      C-13-H3C(O)CH3
  998187.4938  0.1161 -4.2890 3  755.0516856  595161404533221 1    523122 1      C-13-H3C(O)CH3
  998239.8705  0.0548 -4.6277 3  617.3595388  595161404483019 3    472720 3      C-13-H3C(O)CH3
  998268.0077  0.0208 -5.5147 3  473.8618680  595161404422815 2    412517 2      C-13-H3C(O)CH3
  998375.2494  0.1275 -5.3304 3 1519.9480644  595161404802853 4    792752 4      C-13-H3C(O)CH3
  998375.2494  0.1275 -5.3304 3 1519.9480644  595161404802753 4    792852 4      C-13-H3C(O)CH3
  998375.2669  0.1275 -5.4742 3 1519.9480644  595161404802753 3    792752 3      C-13-H3C(O)CH3
  998375.2669  0.1275 -5.8364 3 1519.9480644  595161404802853 3    792752 3      C-13-H3C(O)CH3
  998375.2669  0.1275 -5.4742 3 1519.9480644  595161404802853 3    792852 3      C-13-H3C(O)CH3
  998375.2669  0.1275 -5.8364 3 1519.9480644  595161404802753 3    792852 3      C-13-H3C(O)CH3
  998384.8108  0.1562 -5.8498 3 1519.9268C88  595161404802853 1    792752 1      C-13-H3C(O)CH3
  998384.8108  0.1562 -5.0854 3 1519.9268C88  595161404802853 1    792852 1      C-13-H3C(O)CH3
  998384.8108  0.1562 -5.8498 3 1519.9268C88  595161404802753 1    792852 1      C-13-H3C(O)CH3
  998384.8108  0.1562 -5.0854 3 1519.9268C88  595161404802753 1    792752 1      C-13-H3C(O)CH3
  998389.1124  0.1561 -5.0769 3 1519.9295C88  595161404802753 2    792752 2      C-13-H3C(O)CH3
  998389.1124  0.1561 -5.9028 3 1519.9295C88  595161404802753 2    792852 2      C-13-H3C(O)CH3
  998389.1124  0.1561 -5.0769 3 1519.9295C88  595161404802853 2    792852 2      C-13-H3C(O)CH3
  998389.1124  0.1561 -5.9028 3 1519.9295C88  595161404802853 2    792752 2      C-13-H3C(O)CH3
  998398.6547  0.1534 -5.0523 3 1519.9084C88  595161404802853 0    792752 0      C-13-H3C(O)CH3
  998398.6547  0.1534 -5.0523 3 1519.9084C88  595161404802753 0    792852 0      C-13-H3C(O)CH3
  998465.9023  0.0484 -4.4496 3  593.6586760  595161404473018 1    462719 1      C-13-H3C(O)CH3
  998488.9650  0.0254 -4.3069 3  860.6963904  595161404563720 1    553620 1      C-13-H3C(O)CH3
  998490.1373  0.0249 -4.2381 3  860.6981904  595161404563720 2    553620 2      C-13-H3C(O)CH3
  998491.2142  0.0141 -4.8446 3  317.1469324  59516140440 832 4    39 633 4      C-13-H3C(O)CH3
  998491.2142  0.0141 -4.8446 3  317.1469324  59516140440 932 4    39 733 4      C-13-H3C(O)CH3
  998491.8631  0.0130 -4.8456 3  317.1469324  59516140440 832 3    39 633 3      C-13-H3C(O)CH3
  998491.8631  0.0130 -4.8456 3  317.1469324  59516140440 932 3    39 733 3      C-13-H3C(O)CH3
  998525.5086  0.7662 -5.4288 3 1287.4882556  595161404694029 3    684128 3      C-13-H3C(O)CH3
  998531.6437  0.7463 -5.4288 3 1287.4880556  595161404694029 4    684128 4      C-13-H3C(O)CH3
  998599.9256  0.0631 -5.2281 3  499.6450696  595161404432914 2    422616 2      C-13-H3C(O)CH3
  998631.4897  0.0244 -4.4058 3  860.7108452  595161404563720 4    553620 4      C-13-H3C(O)CH3
  998688.5517  0.0247 -5.6006 3  860.7336452  595161404563720 3    553620 3      C-13-H3C(O)CH3
  998704.7837  0.1224 -4.2913 3  755.0539856  595161404533221 0    523122 0      C-13-H3C(O)CH3
  998825.6388  0.0113 -4.5510 3  317.1547648  59516140440 832 2    39 633 2      C-13-H3C(O)CH3
  998825.6388  0.0113 -4.5510 3  317.1547648  59516140440 932 2    39 733 2      C-13-H3C(O)CH3
  998829.5862  0.0118 -5.5177 3  317.1553648  59516140440 832 1    39 633 1      C-13-H3C(O)CH3
  998829.5862  0.0118 -4.5878 3  317.1553648  59516140440 832 1    39 733 1      C-13-H3C(O)CH3
  998829.5862  0.0118 -5.5177 3  317.1553648  59516140440 932 1    39 733 1      C-13-H3C(O)CH3
  998829.5862  0.0118 -4.5878 3  317.1553648  59516140440 932 1    39 633 1      C-13-H3C(O)CH3
  998880.0491  0.2070 -4.8734 3 1241.4223A96  595161404683930 0    673829 0      C-13-H3C(O)CH3
  998882.5953  0.0801 -4.4536 3  593.6459760  595161404473018 2    462719 2      C-13-H3C(O)CH3
  998916.2177  0.6679 -5.1263 3 1287.4732B12  595161404694029 1    684128 1      C-13-H3C(O)CH3
  998956.1174  0.0179 -4.0006 3  825.2452428  595161404534311 4    524210 4      C-13-H3C(O)CH3
  998982.8815  0.0142 -3.6995 3  825.2179856  595161404534311 2    524211 2      C-13-H3C(O)CH3
  999026.8557  0.0111 -3.6994 3  825.2208856 -595161404534310 1    524210 1      C-13-H3C(O)CH3
  999037.0451  0.2075 -4.8736 3 1241.4303A96  595161404683930 2    673829 2      C-13-H3C(O)CH3
  999053.3212  0.0095 -3.6993 3  825.1934856 -595161404534311 0    524210 0      C-13-H3C(O)CH3
  999053.3212  0.0095 -3.6993 3  825.1934856 -595161404534310 0    524211 0      C-13-H3C(O)CH3
  999059.5761  0.0239 -4.0331 3  860.6756904  595161404563719 0    553620 0      C-13-H3C(O)CH3
  999078.8565  0.0181 -4.0006 3  825.2339428  595161404534311 3    524211 3      C-13-H3C(O)CH3
  999081.9782  0.0166 -4.0006 3  825.2489428  595161404534310 3    524210 3      C-13-H3C(O)CH3
  999088.0179  0.3284 -4.8525 3 1208.2968A80  595161404673929 0    663828 0      C-13-H3C(O)CH3
  999108.8785  0.0119 -3.6995 3  825.2215856  595161404534310 2    524210 2      C-13-H3C(O)CH3
  999131.3128  0.1791 -4.8736 3 1241.4234A96  595161404683930 1    673829 1      C-13-H3C(O)CH3
  999149.6384  0.0105 -3.6994 3  825.2095856 -595161404534311 1    524211 1      C-13-H3C(O)CH3
  999162.7838  0.0108 -4.5430 3  317.1631648  59516140440 832 0    39 633 0      C-13-H3C(O)CH3
  999162.7838  0.0108 -4.5430 3  317.1631648  59516140440 932 0    39 733 0      C-13-H3C(O)CH3
  999205.2919  0.0166 -4.0005 3  825.2375428  595161404534310 4    524211 4      C-13-H3C(O)CH3
  999226.0660  0.1161 -5.6355 3 1703.9403F44  595161404961087 0    95 986 0      C-13-H3C(O)CH3
  999226.0660  0.1161 -5.6355 3 1703.9403F44  59516140496 987 0    951086 0      C-13-H3C(O)CH3
  999226.0660  0.1161 -5.3135 3 1703.9403F44  59516140496 987 0    95 986 0      C-13-H3C(O)CH3
  999226.0660  0.1161 -5.3135 3 1703.9403F44  595161404961087 0    951086 0      C-13-H3C(O)CH3
  999226.9171  0.1707 -5.8973 3 1647.5510E32  595161404891872 0    881771 0      C-13-H3C(O)CH3
  999226.9171  0.1707 -5.1323 3 1647.5510E32  595161404891772 0    881871 0      C-13-H3C(O)CH3
  999226.9171  0.1707 -5.2014 3 1647.5510E32  595161404891772 0    881771 0      C-13-H3C(O)CH3
  999240.1299  0.1780 -5.2492 3 1647.5720E32  595161404891772 1    881871 1      C-13-H3C(O)CH3
  999240.1299  0.1780 -5.9453 3 1647.5720E32  595161404891872 1    881871 1      C-13-H3C(O)CH3
  999240.1299  0.1780 -5.7161 3 1647.5720E32  595161404891772 1    881771 1      C-13-H3C(O)CH3
  999240.1299  0.1780 -5.1923 3 1647.5720E32  595161404891872 1    881771 1      C-13-H3C(O)CH3
  999243.5547  0.1838 -5.1516 3 1647.5732E32  595161404891872 2    881871 2      C-13-H3C(O)CH3
  999243.5547  0.1838 -5.1516 3 1647.5732E32  595161404891772 2    881771 2      C-13-H3C(O)CH3
  999256.7913  0.1370 -5.5790 3 1647.5942716  595161404891872 3    881771 3      C-13-H3C(O)CH3
  999256.7913  0.1370 -5.9426 3 1647.5942716  595161404891872 3    881871 3      C-13-H3C(O)CH3
  999256.7913  0.1370 -5.9426 3 1647.5942716  595161404891772 3    881771 3      C-13-H3C(O)CH3
  999256.7913  0.1370 -5.5790 3 1647.5942716  595161404891772 3    881871 3      C-13-H3C(O)CH3
  999256.8127  0.1370 -5.4350 3 1647.5942716  595161404891772 4    881871 4      C-13-H3C(O)CH3
  999256.8127  0.1370 -5.4350 3 1647.5942716  595161404891872 4    881771 4      C-13-H3C(O)CH3
  999259.3155  0.1224 -5.6603 3 1703.9351F44  595161404961087 2    95 986 2      C-13-H3C(O)CH3
  999259.3155  0.1224 -5.6603 3 1703.9351F44  59516140496 987 2    951086 2      C-13-H3C(O)CH3
  999259.3155  0.1224 -5.3021 3 1703.9351F44  595161404961087 2    951086 2      C-13-H3C(O)CH3
  999259.3155  0.1224 -5.3021 3 1703.9351F44  59516140496 987 2    95 986 2      C-13-H3C(O)CH3
  999259.4314  0.1311 -5.3216 3 1703.9353F44  59516140496 987 1    95 986 1      C-13-H3C(O)CH3
  999259.4314  0.1311 -5.6188 3 1703.9353F44  595161404961087 1    95 986 1      C-13-H3C(O)CH3
  999259.4314  0.1311 -5.6188 3 1703.9353F44  59516140496 987 1    951086 1      C-13-H3C(O)CH3
  999259.4314  0.1311 -5.3216 3 1703.9353F44  595161404961087 1    951086 1      C-13-H3C(O)CH3
  999271.6372  0.1310 -5.3642 3 1538.5308652  595161404812655 4    802754 4      C-13-H3C(O)CH3
  999271.6372  0.1310 -5.3642 3 1538.5308652  595161404812755 4    802654 4      C-13-H3C(O)CH3
  999271.6512  0.1310 -5.6820 3 1538.5307652  595161404812655 3    802754 3      C-13-H3C(O)CH3
  999271.6512  0.1310 -5.5954 3 1538.5307652  595161404812755 3    802754 3      C-13-H3C(O)CH3
  999271.6512  0.1310 -5.6820 3 1538.5307652  595161404812755 3    802654 3      C-13-H3C(O)CH3
  999271.6512  0.1310 -5.5954 3 1538.5307652  595161404812655 3    802654 3      C-13-H3C(O)CH3
  999278.6449  0.8822 -5.1251 3 1287.4739B12  595161404694029 2    684128 2      C-13-H3C(O)CH3
  999279.8072  0.1635 -5.2092 3 1538.5091D04  595161404812655 1    802654 1      C-13-H3C(O)CH3
  999279.8072  0.1635 -5.5142 3 1538.5091D04  595161404812655 1    802754 1      C-13-H3C(O)CH3
  999279.8072  0.1635 -5.2092 3 1538.5091D04  595161404812755 1    802754 1      C-13-H3C(O)CH3
  999279.8072  0.1635 -5.5142 3 1538.5091D04  595161404812755 1    802654 1      C-13-H3C(O)CH3
  999284.3769  0.1634 -5.0352 3 1538.5117D04  595161404812655 2    802654 2      C-13-H3C(O)CH3
  999284.3769  0.1634 -5.0352 3 1538.5117D04  595161404812755 2    802754 2      C-13-H3C(O)CH3
  999290.9782  0.1471 -5.1748 3 1241.4314548  595161404683930 4    673829 4      C-13-H3C(O)CH3
  999292.2819  0.1519 -5.1748 3 1241.4313548  595161404683930 3    673829 3      C-13-H3C(O)CH3
  999292.5332  0.1595 -5.4344 3 1538.4901D04  595161404812655 0    802654 0      C-13-H3C(O)CH3
  999292.5332  0.1595 -5.4344 3 1538.4901D04  595161404812755 0    802754 0      C-13-H3C(O)CH3
  999292.5332  0.1595 -5.2549 3 1538.4901D04  595161404812655 0    802754 0      C-13-H3C(O)CH3
  999292.5332  0.1595 -5.2549 3 1538.4901D04  595161404812755 0    802654 0      C-13-H3C(O)CH3
  999292.6968  0.1113 -5.4500 3 1703.9301772  595161404961087 3    95 986 3      C-13-H3C(O)CH3
  999292.6968  0.1113 -5.4465 3 1703.9301772  59516140496 987 3    951086 3      C-13-H3C(O)CH3
  999292.7368  0.1113 -5.4810 3 1703.9301772  59516140496 987 4    951086 4      C-13-H3C(O)CH3
  999292.7368  0.1113 -5.4810 3 1703.9301772  595161404961087 4    95 986 4      C-13-H3C(O)CH3
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  999334.2519  0.0713 -5.4219 3  499.6266348  595161404432914 4    422616 4      C-13-H3C(O)CH3
  999348.4803  0.0607 -4.3571 3  860.7336452  595161404563719 3    553620 3      C-13-H3C(O)CH3
  999382.3237  0.0671 -4.7632 3  593.6230380  595161404473018 4    462719 4      C-13-H3C(O)CH3
  999402.8530  0.3630 -4.8527 3 1208.2992A80  595161404673929 2    663828 2      C-13-H3C(O)CH3
  999408.2327  0.0224 -5.2413 3  274.3347316  59516140439 634 4    38 435 4      C-13-H3C(O)CH3
  999408.2327  0.0224 -5.2413 3  274.3347316  59516140439 534 4    38 335 4      C-13-H3C(O)CH3
  999408.5504  0.0208 -5.4739 3  274.3347316  59516140439 634 3    38 335 3      C-13-H3C(O)CH3
  999408.5504  0.0208 -5.4739 3  274.3347316  59516140439 534 3    38 435 3      C-13-H3C(O)CH3
  999408.5504  0.0208 -5.5038 3  274.3347316  59516140439 534 3    38 335 3      C-13-H3C(O)CH3
  999408.5504  0.0208 -5.5038 3  274.3347316  59516140439 634 3    38 435 3      C-13-H3C(O)CH3
  999561.0411  0.2887 -4.8527 3 1208.2907A80  595161404673929 1    663828 1      C-13-H3C(O)CH3
  999572.8355  0.0427 -3.5310 3  816.8186808  5951614045050 0 1    4949 0 1      C-13-H3C(O)CH3
  999599.3044  0.0779 -4.7533 3  593.6226380  595161404473018 3    462719 3      C-13-H3C(O)CH3
  999618.2057  0.1146 -4.3621 3  860.6963904  595161404563719 1    553620 1      C-13-H3C(O)CH3
  999634.8396  0.0484 -3.8321 3  816.8825404  5951614045050 0 4    4949 0 4      C-13-H3C(O)CH3
  999637.3145  0.0405 -3.5308 3  816.7453808  5951614045050 1 0    4949 1 0      C-13-H3C(O)CH3
  999637.3145  0.0405 -3.5308 3  816.7453808  5951614045050 0 0    4949 0 0      C-13-H3C(O)CH3
  999640.3959  0.0213 -4.7389 3  473.8656680  595161404422814 1    412517 1      C-13-H3C(O)CH3
  999660.6576  0.7132 -5.1236 3 1287.4591B12  595161404694029 0    684128 0      C-13-H3C(O)CH3
  999699.0824  0.0422 -3.5309 3  816.8090808  5951614045050 0 2    4949 0 2      C-13-H3C(O)CH3
  999706.6862  0.0095 -4.1196 3  507.8968728  595161404452124 0    442025 0      C-13-H3C(O)CH3
  999707.4598  0.0095 -4.1196 3  507.8968728  595161404452224 0    441925 0      C-13-H3C(O)CH3
  999780.7620  0.1684 -4.4558 3  860.6981904  595161404563719 2    553620 2      C-13-H3C(O)CH3
  999789.8059  0.0563 -3.8319 3  816.8266404  5951614045050 1 3    4949 1 3      C-13-H3C(O)CH3
  999796.7987  0.0129 -4.1194 3  507.8719728  595161404452124 2    442025 2      C-13-H3C(O)CH3
  999797.6443  0.0129 -4.1194 3  507.8719728  595161404452224 2    441925 2      C-13-H3C(O)CH3
  999804.7286  0.0100 -4.1193 3  507.8738728  595161404452124 1    442025 1      C-13-H3C(O)CH3
  999805.5506  0.0100 -4.1193 3  507.8738728  595161404452224 1    441925 1      C-13-H3C(O)CH3
  999826.4129  0.0502 -3.5307 3  816.7904808  5951614045050 1 1    4949 1 1      C-13-H3C(O)CH3
  999828.3964  0.0211 -5.3454 3  400.5689308  5951614043829 9 3    372611 3      C-13-H3C(O)CH3
  999841.9991  0.0196 -5.0548 3  400.5688616  595161404382910 1    372612 1      C-13-H3C(O)CH3
  999853.5871  0.0551 -3.5306 3  816.7533808  5951614045050 1 2    4949 1 2      C-13-H3C(O)CH3
  999866.9798  0.0228 -5.6439 3  344.8125584  595161404362512 1    352015 1      C-13-H3C(O)CH3
  999879.8582  0.2798 -5.1539 3 1208.2930540  595161404673929 4    663828 4      C-13-H3C(O)CH3
  999882.5912  0.2877 -5.1539 3 1208.2929540  595161404673929 3    663828 3      C-13-H3C(O)CH3
  999886.7248  0.0773 -4.5033 3  636.3872396  595161404492821 3    482722 3      C-13-H3C(O)CH3
  999888.9030  0.0540 -3.8318 3  816.8542404  5951614045050 0 3    4949 0 3      C-13-H3C(O)CH3
  999894.4309  0.0782 -4.5033 3  636.3871396  595161404492821 4    482722 4      C-13-H3C(O)CH3
  999895.0279  0.0141 -4.4200 3  507.8488364  595161404452124 3    442025 3      C-13-H3C(O)CH3
  999895.1410  0.0142 -4.4200 3  507.8488364  595161404452124 4    442025 4      C-13-H3C(O)CH3
  999895.9268  0.0141 -4.4200 3  507.8488364  595161404452224 3    441925 3      C-13-H3C(O)CH3
  999896.0355  0.0142 -4.4200 3  507.8488364  595161404452224 4    441925 4      C-13-H3C(O)CH3
  999958.4824  0.0181 -5.0378 3  400.5998616  595161404382910 0    372611 0      C-13-H3C(O)CH3
  999973.5568  0.0231 -5.3389 3  400.5451308  595161404382910 4    372612 4      C-13-H3C(O)CH3
  999996.6464  0.0174 -4.0810 3  834.8572436  595161404544113 4    534013 4      C-13-H3C(O)CH3
 1000022.2270  0.0184 -5.0392 3  400.5974616  5951614043829 9 2    372611 2      C-13-H3C(O)CH3
 1000031.5059  0.0138 -3.7798 3  834.8252872  595161404544114 2    534013 2      C-13-H3C(O)CH3
 1000033.7819  0.0189 -5.4934 3  274.3146632  59516140439 634 2    38 335 2      C-13-H3C(O)CH3
 1000033.7819  0.0189 -5.0088 3  274.3146632  59516140439 534 2    38 335 2      C-13-H3C(O)CH3
 1000033.7819  0.0189 -5.0088 3  274.3146632  59516140439 634 2    38 435 2      C-13-H3C(O)CH3
 1000033.7819  0.0189 -5.4934 3  274.3146632  59516140439 534 2    38 435 2      C-13-H3C(O)CH3
 1000036.2560  0.0207 -4.8892 3  274.3150632  59516140439 634 1    38 435 1      C-13-H3C(O)CH3
 1000036.2560  0.0207 -4.8892 3  274.3150632  59516140439 534 1    38 335 1      C-13-H3C(O)CH3
 1000043.1099  0.0739 -3.8316 3  816.7984404  5951614045050 1 4    4949 1 4      C-13-H3C(O)CH3
 1000059.4001  0.0785 -4.2025 3  636.3988792  595161404492821 2    482722 2      C-13-H3C(O)CH3
 1000066.9942  0.1166 -5.2043 3 1274.7641556  595161404693831 3    683930 3      C-13-H3C(O)CH3
 1000067.7681  0.1143 -5.2043 3 1274.7641556  595161404693831 4    683930 4      C-13-H3C(O)CH3
 1000073.1013  0.0183 -5.0544 3  400.5793616  5951614043829 9 1    372611 1      C-13-H3C(O)CH3
 1000074.7827  0.0111 -3.7797 3  834.8174872 -595161404544113 1    534013 1      C-13-H3C(O)CH3
 1000075.0291  0.1037 -4.9030 3 1274.7508B12  595161404693831 1    683930 1      C-13-H3C(O)CH3
 1000077.9216  0.0207 -5.6226 3  344.8308584  595161404362512 0    352015 0      C-13-H3C(O)CH3
 1000084.6046  0.0180 -5.0377 3  400.5956616  5951614043829 9 0    372612 0      C-13-H3C(O)CH3
 1000095.0455  0.0209 -5.3362 3  400.5783308  5951614043829 9 4    372611 4      C-13-H3C(O)CH3
 1000100.6544  0.2494 -4.4729 3  975.8814968  595161404603724 0    593623 0      C-13-H3C(O)CH3
 1000107.5458  0.0269 -5.0237 3  473.8438340  595161404422814 3    412517 3      C-13-H3C(O)CH3
 1000108.0780  0.1226 -4.9029 3 1274.7546B12  595161404693831 2    683930 2      C-13-H3C(O)CH3
 1000109.5757  0.0085 -3.7795 3  834.7853872 -595161404544113 0    534014 0      C-13-H3C(O)CH3
 1000109.5757  0.0085 -3.7795 3  834.7853872 -595161404544114 0    534013 0      C-13-H3C(O)CH3
 1000114.6355  0.1016 -4.9026 3 1274.7413B12  595161404693831 0    683930 0      C-13-H3C(O)CH3
 1000123.2259  0.0337 -4.7801 3  473.8618680  595161404422814 2    412517 2      C-13-H3C(O)CH3
 1000138.4775  0.0178 -4.0809 3  834.8482436  595161404544114 3    534014 3      C-13-H3C(O)CH3
 1000167.5166  0.0162 -4.0808 3  834.8548436  595161404544113 3    534013 3      C-13-H3C(O)CH3
 1000169.6761  0.0193 -5.0415 3  400.5736616  595161404382910 2    372612 2      C-13-H3C(O)CH3
 1000172.3236  0.0183 -4.1843 3  846.5632444  595161404553916 4    543816 4      C-13-H3C(O)CH3
 1000178.4916  0.0407 -4.2024 3  636.4018792  595161404492821 1    482722 1      C-13-H3C(O)CH3
 1000182.4268  0.0143 -3.8830 3  846.5214888 -595161404553916 2    543816 2      C-13-H3C(O)CH3
 1000202.2571  0.0124 -3.7795 3  834.8227872  595161404544113 2    534014 2      C-13-H3C(O)CH3
 1000210.6915  0.1342 -5.7017 3 1556.5513660  595161404822557 4    812656 4      C-13-H3C(O)CH3
 1000210.6915  0.1342 -5.6115 3 1556.5513660  595161404822557 4    812556 4      C-13-H3C(O)CH3
 1000210.6915  0.1342 -5.6115 3 1556.5513660  595161404822657 4    812656 4      C-13-H3C(O)CH3
 1000210.6915  0.1342 -5.7017 3 1556.5513660  595161404822657 4    812556 4      C-13-H3C(O)CH3
 1000210.7020  0.1342 -5.4812 3 1556.5512660  595161404822557 3    812656 3      C-13-H3C(O)CH3
 1000210.7020  0.1342 -5.4812 3 1556.5512660  595161404822657 3    812556 3      C-13-H3C(O)CH3
 1000210.7020  0.1342 -5.9464 3 1556.5512660  595161404822657 3    812656 3      C-13-H3C(O)CH3
 1000210.7020  0.1342 -5.9464 3 1556.5512660  595161404822557 3    812556 3      C-13-H3C(O)CH3
 1000212.4895  0.0145 -3.8829 3  846.5096888  595161404553916 1    543816 1      C-13-H3C(O)CH3
 1000216.5631  0.0113 -3.7795 3  834.8084872  595161404544114 1    534014 1      C-13-H3C(O)CH3
 1000217.2149  0.1705 -5.1060 3 1556.5292D20  595161404822557 1    812656 1      C-13-H3C(O)CH3
 1000217.2149  0.1705 -5.1060 3 1556.5292D20  595161404822657 1    812556 1      C-13-H3C(O)CH3
 1000219.0100  0.0128 -3.8826 3  846.4680888  595161404553917 0    543816 0      C-13-H3C(O)CH3
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 1000221.9940  0.1706 -5.8753 3 1556.5317D20  595161404822657 2    812556 2      C-13-H3C(O)CH3
 1000221.9940  0.1706 -5.1229 3 1556.5317D20  595161404822557 2    812556 2      C-13-H3C(O)CH3
 1000221.9940  0.1706 -5.8753 3 1556.5317D20  595161404822557 2    812656 2      C-13-H3C(O)CH3
 1000226.7203  0.0128 -3.8826 3  846.4678888  595161404553916 0    543817 0      C-13-H3C(O)CH3
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 1000228.5094  0.1653 -5.3090 3 1556.5097D20  595161404822557 0    812656 0      C-13-H3C(O)CH3
 1000228.5094  0.1653 -5.4023 3 1556.5097D20  595161404822557 0    812556 0      C-13-H3C(O)CH3
 1000228.5094  0.1653 -5.3090 3 1556.5097D20  595161404822657 0    812556 0      C-13-H3C(O)CH3
 1000241.4553  0.0212 -5.3472 3  400.5545308  595161404382910 3    372612 3      C-13-H3C(O)CH3
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 1000309.5965  0.0178 -4.0806 3  834.8457436  595161404544114 4    534014 4      C-13-H3C(O)CH3
 1000311.0000  0.0206 -4.1647 3  608.0869776  595161404482821 0    472522 0      C-13-H3C(O)CH3
 1000313.5421  1.0964 -5.5841 3 1327.6809564  595161404704129 4    694228 4      C-13-H3C(O)CH3
 1000332.4460  0.0197 -4.1850 3  846.5453444  595161404553916 3    543816 3      C-13-H3C(O)CH3
 1000345.1369  0.0453 -4.2026 3  636.4134792  595161404492821 0    482722 0      C-13-H3C(O)CH3
 1000359.7102  0.1665 -5.7296 3 1660.6266E48  595161404901774 0    891773 0      C-13-H3C(O)CH3
 1000359.7102  0.1665 -5.2614 3 1660.6266E48  595161404901674 0    891773 0      C-13-H3C(O)CH3
 1000359.7102  0.1665 -5.2614 3 1660.6266E48  595161404901774 0    891673 0      C-13-H3C(O)CH3
 1000359.7102  0.1665 -5.7296 3 1660.6266E48  595161404901674 0    891673 0      C-13-H3C(O)CH3
 1000371.4358  0.0198 -4.1848 3  846.5423444  595161404553917 3    543817 3      C-13-H3C(O)CH3
 1000372.6302  0.0135 -3.8825 3  846.4917888  595161404553917 1    543817 1      C-13-H3C(O)CH3
 1000376.7788  0.1717 -5.3320 3 1660.6468E48  595161404901774 1    891673 1      C-13-H3C(O)CH3
 1000376.7788  0.1717 -5.5711 3 1660.6468E48  595161404901674 1    891673 1      C-13-H3C(O)CH3
 1000376.7788  0.1717 -5.3320 3 1660.6468E48  595161404901674 1    891773 1      C-13-H3C(O)CH3
 1000376.7788  0.1717 -5.5711 3 1660.6468E48  595161404901774 1    891773 1      C-13-H3C(O)CH3
 1000379.7262  0.1782 -5.5879 3 1660.6476E48  595161404901674 2    891673 2      C-13-H3C(O)CH3
 1000379.7262  0.1782 -5.3225 3 1660.6476E48  595161404901674 2    891773 2      C-13-H3C(O)CH3
 1000379.7262  0.1782 -5.3225 3 1660.6476E48  595161404901774 2    891673 2      C-13-H3C(O)CH3
 1000379.7262  0.1782 -5.5879 3 1660.6476E48  595161404901774 2    891773 2      C-13-H3C(O)CH3
 1000381.5861  0.0145 -3.8824 3  846.5005888  595161404553917 2    543817 2      C-13-H3C(O)CH3
 1000396.8212  0.1362 -5.5194 3 1660.6679724  595161404901674 3    891773 3      C-13-H3C(O)CH3
 1000396.8212  0.1362 -5.5194 3 1660.6679724  595161404901774 3    891673 3      C-13-H3C(O)CH3
 1000396.8460  0.1362 -5.4362 3 1660.6679724  595161404901674 4    891673 4      C-13-H3C(O)CH3
 1000396.8460  0.1362 -5.4362 3 1660.6679724  595161404901774 4    891773 4      C-13-H3C(O)CH3
 1000408.1823  0.0268 -5.7745 3  344.7983584  595161404362512 2    352015 2      C-13-H3C(O)CH3
 1000417.4088  0.0215 -4.1646 3  608.0727776  595161404482821 1    472522 1      C-13-H3C(O)CH3
 1000418.7117  0.0242 -4.1647 3  608.0694776  595161404482821 2    472522 2      C-13-H3C(O)CH3
 1000473.4126  0.1171 -5.7688 3 1712.7376F60  59516140497 889 0    96 988 0      C-13-H3C(O)CH3
 1000473.4126  0.1171 -5.2699 3 1712.7376F60  59516140497 889 0    96 888 0      C-13-H3C(O)CH3
 1000473.4126  0.1171 -5.7688 3 1712.7376F60  59516140497 989 0    96 888 0      C-13-H3C(O)CH3
 1000473.4126  0.1171 -5.2699 3 1712.7376F60  59516140497 989 0    96 988 0      C-13-H3C(O)CH3
 1000503.7818  0.1313 -5.1703 3 1712.7256F60  59516140497 889 2    96 888 2      C-13-H3C(O)CH3
 1000503.7818  0.1313 -5.1703 3 1712.7256F60  59516140497 989 2    96 988 2      C-13-H3C(O)CH3
 1000503.9586  0.1410 -5.1783 3 1712.7258F60  59516140497 889 1    96 988 1      C-13-H3C(O)CH3
 1000503.9586  0.1410 -5.1783 3 1712.7258F60  59516140497 989 1    96 888 1      C-13-H3C(O)CH3
 1000523.9681  0.0252 -4.4656 3  608.0551388  595161404482821 4    472522 4      C-13-H3C(O)CH3
 1000529.1562  0.0248 -4.4656 3  608.0551388  595161404482821 3    472522 3      C-13-H3C(O)CH3
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 1000534.3369  0.1080 -5.4716 3 1712.7138780  59516140497 889 3    96 988 3      C-13-H3C(O)CH3
 1000534.3718  0.1080 -5.5195 3 1712.7138780  59516140497 889 4    96 988 4      C-13-H3C(O)CH3
 1000534.3718  0.1080 -5.5195 3 1712.7138780  59516140497 989 4    96 888 4      C-13-H3C(O)CH3
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 1000660.2319  0.0177 -4.8851 3  274.2950632  59516140439 634 0    38 435 0      C-13-H3C(O)CH3
 1000660.2319  0.0177 -4.8859 3  274.2950632  59516140439 534 0    38 335 0      C-13-H3C(O)CH3
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 1000838.3093  0.0076 -4.1827 3  434.0489696  595161404431627 0    421528 0      C-13-H3C(O)CH3
 1000851.0686  0.0570 -5.8314 3  230.8455616  59516140438 236 1    37 037 1      C-13-H3C(O)CH3
 1000851.0686  0.0570 -5.8314 3  230.8455616  59516140438 336 1    37 137 1      C-13-H3C(O)CH3
 1000872.7767  0.0096 -4.1823 3  434.0195696  595161404431627 2    421528 2      C-13-H3C(O)CH3
 1000872.7767  0.0096 -4.1823 3  434.0195696  595161404431727 2    421428 2      C-13-H3C(O)CH3
 1000878.0018  0.0094 -4.1822 3  434.0207696  595161404431627 1    421528 1      C-13-H3C(O)CH3
 1000878.0019  0.0094 -4.1822 3  434.0207696  595161404431727 1    421428 1      C-13-H3C(O)CH3
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 1000912.5574  0.0107 -4.4830 3  433.9913348  595161404431627 3    421528 3      C-13-H3C(O)CH3
 1000912.5574  0.0107 -4.4830 3  433.9913348  595161404431727 3    421428 3      C-13-H3C(O)CH3
 1000918.4772  0.1723 -4.5904 3  724.5639420  595161404523121 4    513022 4      C-13-H3C(O)CH3
 1000930.6913  0.2151 -4.4706 3  975.8709968  595161404603724 1    593623 1      C-13-H3C(O)CH3
 1001185.5374  0.1371 -5.3722 3 1574.0143668  595161404832559 4    822558 4      C-13-H3C(O)CH3
 1001185.5374  0.1371 -5.3722 3 1574.0143668  595161404832459 4    822458 4      C-13-H3C(O)CH3
 1001185.5442  0.1371 -5.4791 3 1574.0143668  595161404832559 3    822558 3      C-13-H3C(O)CH3
 1001185.5442  0.1371 -5.4791 3 1574.0143668  595161404832459 3    822458 3      C-13-H3C(O)CH3
 1001190.1657  0.1772 -5.0724 3 1573.9918D36  595161404832459 1    822458 1      C-13-H3C(O)CH3
 1001190.1657  0.1772 -5.0724 3 1573.9918D36  595161404832559 1    822558 1      C-13-H3C(O)CH3
 1001195.0890  0.1775 -5.0799 3 1573.9943D36  595161404832559 2    822558 2      C-13-H3C(O)CH3
 1001195.0890  0.1775 -5.0799 3 1573.9943D36  595161404832459 2    822458 2      C-13-H3C(O)CH3
 1001199.7151  0.1707 -5.1993 3 1573.9718D36  595161404832559 0    822458 0      C-13-H3C(O)CH3
 1001199.7151  0.1707 -5.6573 3 1573.9718D36  595161404832559 0    822558 0      C-13-H3C(O)CH3
 1001199.7151  0.1707 -5.6573 3 1573.9718D36  595161404832459 0    822458 0      C-13-H3C(O)CH3
 1001199.7151  0.1707 -5.1993 3 1573.9718D36  595161404832459 0    822558 0      C-13-H3C(O)CH3
 1001333.5169  1.2851 -5.2799 3 1327.6640B28  595161404704129 2    694228 2      C-13-H3C(O)CH3
 1001411.0557  0.1788 -4.2909 3  724.5691840  595161404523121 2    513022 2      C-13-H3C(O)CH3
 1001507.1203  0.1607 -5.4932 3 1673.1675E64  595161404911676 0    901575 0      C-13-H3C(O)CH3
 1001507.1203  0.1607 -5.4053 3 1673.1675E64  595161404911676 0    901675 0      C-13-H3C(O)CH3
 1001507.1203  0.1607 -5.4053 3 1673.1675E64  595161404911576 0    901575 0      C-13-H3C(O)CH3
 1001507.1203  0.1607 -5.4932 3 1673.1675E64  595161404911576 0    901675 0      C-13-H3C(O)CH3
 1001528.0810  0.1633 -5.7707 3 1673.1865E64  595161404911576 1    901675 1      C-13-H3C(O)CH3
 1001528.0810  0.1633 -5.2637 3 1673.1865E64  595161404911676 1    901675 1      C-13-H3C(O)CH3
 1001528.0810  0.1633 -5.7707 3 1673.1865E64  595161404911676 1    901575 1      C-13-H3C(O)CH3
 1001528.0810  0.1633 -5.2637 3 1673.1865E64  595161404911576 1    901575 1      C-13-H3C(O)CH3
 1001530.5078  0.1700 -5.3402 3 1673.1871E64  595161404911676 2    901675 2      C-13-H3C(O)CH3
 1001530.5078  0.1700 -5.5891 3 1673.1871E64  595161404911676 2    901575 2      C-13-H3C(O)CH3
 1001530.5078  0.1700 -5.5891 3 1673.1871E64  595161404911576 2    901675 2      C-13-H3C(O)CH3
 1001530.5078  0.1700 -5.3402 3 1673.1871E64  595161404911576 2    901575 2      C-13-H3C(O)CH3
 1001551.4971  0.1349 -5.4545 3 1673.2061732  595161404911676 3    901575 3      C-13-H3C(O)CH3
 1001551.4971  0.1349 -5.4545 3 1673.2061732  595161404911576 3    901675 3      C-13-H3C(O)CH3
 1001551.5251  0.1349 -5.4915 3 1673.2061732  595161404911676 4    901675 4      C-13-H3C(O)CH3
 1001551.5251  0.1349 -5.4915 3 1673.2061732  595161404911576 4    901575 4      C-13-H3C(O)CH3
 1001573.7904  0.1033 -4.2912 3  724.5712840  595161404523121 1    513022 1      C-13-H3C(O)CH3
 1001633.2090  0.0229 -3.5758 3  820.7774824  5951614045148 3 1    5047 3 1      C-13-H3C(O)CH3
 1001652.6401  0.0215 -3.5757 3  820.7237824  5951614045148 3 0    5047 3 0      C-13-H3C(O)CH3
 1001652.6401  0.0215 -3.5757 3  820.7237824  5951614045148 4 0    5047 4 0      C-13-H3C(O)CH3
 1001665.8867  0.0285 -3.8768 3  820.8093412  5951614045148 3 4    5047 3 4      C-13-H3C(O)CH3
 1001684.7486  0.0231 -3.5757 3  820.7558824  5951614045148 3 2    5047 3 2      C-13-H3C(O)CH3
 1001696.0640  0.2455 -4.7703 3  975.8620484  595161404603724 4    593623 4      C-13-H3C(O)CH3
 1001729.6642  0.0149 -4.1338 3  574.6728760  595161404472522 0    462423 0      C-13-H3C(O)CH3
 1001737.4593  0.1178 -5.7985 3 1721.0098F76  59516140498 891 0    97 890 0      C-13-H3C(O)CH3
 1001737.4593  0.1178 -5.7985 3 1721.0098F76  59516140498 791 0    97 790 0      C-13-H3C(O)CH3
 1001737.4593  0.1178 -5.2677 3 1721.0098F76  59516140498 791 0    97 890 0      C-13-H3C(O)CH3
 1001737.4593  0.1178 -5.2677 3 1721.0098F76  59516140498 891 0    97 790 0      C-13-H3C(O)CH3
 1001757.4359  0.0320 -3.8767 3  820.7770412  5951614045148 4 3    5047 4 3      C-13-H3C(O)CH3
 1001762.8160  0.1390 -5.6675 3 1720.9906F76  59516140498 891 2    97 790 2      C-13-H3C(O)CH3
 1001762.8160  0.1390 -5.3151 3 1720.9906F76  59516140498 791 2    97 790 2      C-13-H3C(O)CH3
 1001762.8160  0.1390 -5.6675 3 1720.9906F76  59516140498 791 2    97 890 2      C-13-H3C(O)CH3
 1001762.8160  0.1390 -5.3151 3 1720.9906F76  59516140498 891 2    97 890 2      C-13-H3C(O)CH3
 1001762.9505  0.1483 -5.3845 3 1720.9907F76  59516140498 891 1    97 790 1      C-13-H3C(O)CH3
 1001762.9505  0.1483 -5.5430 3 1720.9907F76  59516140498 791 1    97 790 1      C-13-H3C(O)CH3
 1001762.9505  0.1483 -5.3845 3 1720.9907F76  59516140498 791 1    97 890 1      C-13-H3C(O)CH3
 1001762.9505  0.1483 -5.5430 3 1720.9907F76  59516140498 891 1    97 890 1      C-13-H3C(O)CH3
 1001770.5961  0.2795 -4.7687 3  975.8609484  595161404603724 3    593623 3      C-13-H3C(O)CH3
 1001773.9528  0.0248 -4.1336 3  574.6538760  595161404472522 2    462423 2      C-13-H3C(O)CH3
 1001776.6099  0.0276 -3.5756 3  820.7235824  5951614045148 4 2    5047 4 2      C-13-H3C(O)CH3
 1001788.3108  0.1034 -5.5250 3 1720.9715788  59516140498 891 3    97 790 3      C-13-H3C(O)CH3
 1001788.3108  0.1034 -5.5250 3 1720.9715788  59516140498 791 3    97 890 3      C-13-H3C(O)CH3
 1001788.3355  0.1034 -5.5601 3 1720.9715788  59516140498 891 4    97 890 4      C-13-H3C(O)CH3
 1001788.3355  0.1034 -5.5601 3 1720.9715788  59516140498 791 4    97 790 4      C-13-H3C(O)CH3
 1001798.4173  0.0149 -4.1335 3  574.6563760  595161404472522 1    462423 1      C-13-H3C(O)CH3
 1001813.7593  0.0262 -3.5756 3  820.7470824  5951614045148 4 1    5047 4 1      C-13-H3C(O)CH3
 1001832.0168  1.0305 -5.2782 3 1327.6482B28  595161404704129 0    694228 0      C-13-H3C(O)CH3
 1001842.2993  0.0260 -4.4344 3  574.6372380  595161404472522 3    462423 3      C-13-H3C(O)CH3
 1001843.0743  0.0263 -4.4344 3  574.6372380  595161404472522 4    462423 4      C-13-H3C(O)CH3
 1001846.0507  0.0316 -3.8766 3  820.7789412  5951614045148 3 3    5047 3 3      C-13-H3C(O)CH3
 1001898.0864  0.0525 -5.7826 3  230.7775616  59516140438 236 0    37 037 0      C-13-H3C(O)CH3
 1001898.0864  0.0525 -5.7826 3  230.7775616  59516140438 336 0    37 137 0      C-13-H3C(O)CH3
 1001937.3303  0.0399 -3.8765 3  820.7466412  5951614045148 4 4    5047 4 4      C-13-H3C(O)CH3
 1002081.0232  0.1111 -4.2927 3  724.5763840  595161404523121 0    513022 0      C-13-H3C(O)CH3
 1002163.2693  0.0112 -4.1204 3  541.2435744 -595161404462323 0    452224 0      C-13-H3C(O)CH3
 1002187.1860  0.0112 -4.1204 3  541.2434744  595161404462423 0    452124 0      C-13-H3C(O)CH3
 1002190.9104  0.1397 -5.4015 3 1590.9240676  595161404842361 4    832360 4      C-13-H3C(O)CH3
 1002190.9104  0.1397 -5.4015 3 1590.9240676  595161404842461 4    832460 4      C-13-H3C(O)CH3
 1002190.9135  0.1397 -5.9303 3 1590.9239676  595161404842361 3    832360 3      C-13-H3C(O)CH3
 1002190.9135  0.1397 -5.5343 3 1590.9239676  595161404842461 3    832360 3      C-13-H3C(O)CH3
 1002190.9135  0.1397 -5.5343 3 1590.9239676  595161404842361 3    832460 3      C-13-H3C(O)CH3
 1002190.9135  0.1397 -5.9303 3 1590.9239676  595161404842461 3    832460 3      C-13-H3C(O)CH3
 1002193.3985  0.1832 -5.2174 3 1590.9010D52  595161404842361 1    832360 1      C-13-H3C(O)CH3
 1002193.3985  0.1832 -5.6712 3 1590.9010D52  595161404842361 1    832460 1      C-13-H3C(O)CH3
 1002193.3985  0.1832 -5.6712 3 1590.9010D52  595161404842461 1    832360 1      C-13-H3C(O)CH3
 1002193.3985  0.1832 -5.2174 3 1590.9010D52  595161404842461 1    832460 1      C-13-H3C(O)CH3
 1002198.3943  0.1840 -5.1054 3 1590.9034D52  595161404842461 2    832460 2      C-13-H3C(O)CH3
 1002198.3943  0.1840 -5.1054 3 1590.9034D52  595161404842361 2    832360 2      C-13-H3C(O)CH3
 1002200.8861  0.1755 -5.1261 3 1590.8805D52  595161404842361 0    832460 0      C-13-H3C(O)CH3
 1002200.8861  0.1755 -5.1261 3 1590.8805D52  595161404842461 0    832360 0      C-13-H3C(O)CH3
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 1002248.8413  0.0143 -4.1335 3  574.6720760  595161404472622 0    462323 0      C-13-H3C(O)CH3
 1002259.6159  0.0116 -4.1201 3  541.2237744  595161404462323 1    452224 1      C-13-H3C(O)CH3
 1002273.5894  0.0166 -4.1201 3  541.2215744  595161404462423 2    452124 2      C-13-H3C(O)CH3
 1002284.7452  0.0116 -4.1201 3  541.2237744  595161404462423 1    452124 1      C-13-H3C(O)CH3
 1002319.6411  0.0220 -4.1333 3  574.6530760  595161404472622 2    462323 2      C-13-H3C(O)CH3
 1002335.0038  0.0149 -4.1332 3  574.6555760  595161404472622 1    462323 1      C-13-H3C(O)CH3
 1002344.4968  0.0180 -4.4208 3  541.2017372  595161404462323 3    452224 3      C-13-H3C(O)CH3
 1002344.7193  0.0181 -4.4208 3  541.2017372  595161404462323 4    452224 4      C-13-H3C(O)CH3
 1002371.3826  0.0178 -4.4208 3  541.2017372  595161404462423 3    452124 3      C-13-H3C(O)CH3
 1002371.5206  0.0180 -4.4208 3  541.2017372  595161404462423 4    452124 4      C-13-H3C(O)CH3
 1002406.1047  0.0235 -4.4341 3  574.6363380  595161404472622 4    462323 4      C-13-H3C(O)CH3
 1002406.4558  0.0233 -4.4341 3  574.6364380  595161404472622 3    462323 3      C-13-H3C(O)CH3
 1002547.0762  0.4235 -4.6858 3 1073.3588A16  595161404633826 0    623725 0      C-13-H3C(O)CH3
 1002668.8180  0.1534 -5.6420 3 1685.1755E80  595161404921478 0    911477 0      C-13-H3C(O)CH3
 1002668.8180  0.1534 -5.3836 3 1685.1755E80  595161404921478 0    911577 0      C-13-H3C(O)CH3
 1002668.8180  0.1534 -5.5480 3 1685.1755E80  595161404921578 0    911577 0      C-13-H3C(O)CH3
 1002668.8180  0.1534 -5.3293 3 1685.1755E80  595161404921578 0    911477 0      C-13-H3C(O)CH3
 1002693.5637  0.1532 -5.5489 3 1685.1927E80  595161404921478 1    911477 1      C-13-H3C(O)CH3
 1002693.5637  0.1532 -5.3831 3 1685.1927E80  595161404921478 1    911577 1      C-13-H3C(O)CH3
 1002693.5637  0.1532 -5.5489 3 1685.1927E80  595161404921578 1    911577 1      C-13-H3C(O)CH3
 1002693.5637  0.1532 -5.3831 3 1685.1927E80  595161404921578 1    911477 1      C-13-H3C(O)CH3
 1002695.4503  0.1595 -5.2351 3 1685.1930E80  595161404921478 2    911477 2      C-13-H3C(O)CH3
 1002695.4503  0.1595 -5.9412 3 1685.1930E80  595161404921478 2    911577 2      C-13-H3C(O)CH3
 1002695.4503  0.1595 -5.2351 3 1685.1930E80  595161404921578 2    911577 2      C-13-H3C(O)CH3
 1002695.4503  0.1595 -5.9412 3 1685.1930E80  595161404921578 2    911477 2      C-13-H3C(O)CH3
 1002720.2262  0.1331 -5.5546 3 1685.2102740  595161404921478 3    911477 3      C-13-H3C(O)CH3
 1002720.2262  0.1331 -5.5546 3 1685.2102740  595161404921578 3    911577 3      C-13-H3C(O)CH3
 1002720.2575  0.1332 -5.4791 3 1685.2102740  595161404921578 4    911577 4      C-13-H3C(O)CH3
 1002720.2575  0.1332 -5.4791 3 1685.2102740  595161404921478 4    911477 4      C-13-H3C(O)CH3
 1003018.7268  0.1150 -5.2684 3 1728.7572F92  59516140499 793 0    98 792 0      C-13-H3C(O)CH3
 1003018.7268  0.1150 -5.8156 3 1728.7572F92  59516140499 793 0    98 692 0      C-13-H3C(O)CH3
 1003018.7268  0.1150 -5.2684 3 1728.7572F92  59516140499 693 0    98 692 0      C-13-H3C(O)CH3
 1003018.7268  0.1150 -5.8156 3 1728.7572F92  59516140499 693 0    98 792 0      C-13-H3C(O)CH3
 1003036.7373  0.1404 -5.6095 3 1728.7309F92  59516140499 793 2    98 692 2      C-13-H3C(O)CH3
 1003036.7373  0.1404 -5.3504 3 1728.7309F92  59516140499 793 2    98 792 2      C-13-H3C(O)CH3
 1003036.7373  0.1404 -5.6095 3 1728.7309F92  59516140499 693 2    98 792 2      C-13-H3C(O)CH3
 1003036.7373  0.1404 -5.3504 3 1728.7309F92  59516140499 693 2    98 692 2      C-13-H3C(O)CH3
 1003036.7657  0.1479 -5.1625 3 1728.7310F92  59516140499 793 1    98 792 1      C-13-H3C(O)CH3
 1003036.7657  0.1479 -5.1625 3 1728.7310F92  59516140499 693 1    98 692 1      C-13-H3C(O)CH3
 1003054.7779  0.0966 -5.7888 3 1728.7046796  59516140499 793 3    98 692 3      C-13-H3C(O)CH3
 1003054.7779  0.0966 -5.7365 3 1728.7046796  59516140499 693 3    98 692 3      C-13-H3C(O)CH3
 1003054.7779  0.0966 -5.7365 3 1728.7046796  59516140499 793 3    98 792 3      C-13-H3C(O)CH3
 1003054.7779  0.0966 -5.7888 3 1728.7046796  59516140499 693 3    98 792 3      C-13-H3C(O)CH3
 1003054.7863  0.0966 -5.5499 3 1728.7046796  59516140499 793 4    98 792 4      C-13-H3C(O)CH3
 1003054.7863  0.0966 -5.5499 3 1728.7046796  59516140499 693 4    98 692 4      C-13-H3C(O)CH3
 1003158.1227  0.1353 -4.8993 3 1274.6662B12  595161404693931 0    683830 0      C-13-H3C(O)CH3
 1003222.7465  0.1419 -5.5321 3 1607.2836684  595161404852263 3    842262 3      C-13-H3C(O)CH3
 1003222.7465  0.1419 -5.5321 3 1607.2836684  595161404852363 3    842362 3      C-13-H3C(O)CH3
 1003222.7472  0.1419 -5.4270 3 1607.2837684  595161404852263 4    842262 4      C-13-H3C(O)CH3
 1003222.7472  0.1419 -5.4270 3 1607.2837684  595161404852363 4    842362 4      C-13-H3C(O)CH3
 1003222.8523  0.1885 -5.1050 3 1607.2604D68  595161404852363 1    842262 1      C-13-H3C(O)CH3
 1003222.8523  0.1885 -5.1050 3 1607.2604D68  595161404852263 1    842362 1      C-13-H3C(O)CH3
 1003227.8420  0.1899 -5.4020 3 1607.2627D68  595161404852263 2    842262 2      C-13-H3C(O)CH3
 1003227.8420  0.1899 -5.4062 3 1607.2627D68  595161404852263 2    842362 2      C-13-H3C(O)CH3
 1003227.8420  0.1899 -5.4062 3 1607.2627D68  595161404852363 2    842262 2      C-13-H3C(O)CH3
 1003227.8420  0.1899 -5.4020 3 1607.2627D68  595161404852363 2    842362 2      C-13-H3C(O)CH3
 1003227.9570  0.1795 -5.6505 3 1607.2394D68  595161404852363 0    842362 0      C-13-H3C(O)CH3
 1003227.9570  0.1795 -5.6505 3 1607.2394D68  595161404852263 0    842262 0      C-13-H3C(O)CH3
 1003227.9570  0.1795 -5.2477 3 1607.2394D68  595161404852363 0    842262 0      C-13-H3C(O)CH3
 1003227.9570  0.1795 -5.2477 3 1607.2394D68  595161404852263 0    842362 0      C-13-H3C(O)CH3
 1003231.0907  0.1202 -4.8995 3 1274.6775B12  595161404693931 2    683830 2      C-13-H3C(O)CH3
 1003281.6809  0.1170 -4.8995 3 1274.6719B12  595161404693931 1    683830 1      C-13-H3C(O)CH3
 1003335.3341  0.0132 -5.5026 3  333.1395584  595161404362215 0    351718 0      C-13-H3C(O)CH3
 1003355.9795  0.0805 -5.2007 3 1274.6832556  595161404693931 4    683830 4      C-13-H3C(O)CH3
 1003356.5864  0.0826 -5.2007 3 1274.6831556  595161404693931 3    683830 3      C-13-H3C(O)CH3
 1003384.6401  0.5187 -4.6847 3 1073.3451A16  595161404633826 2    623725 2      C-13-H3C(O)CH3
 1003406.8706  0.0135 -5.5023 3  333.1118584  595161404362215 2    351718 2      C-13-H3C(O)CH3
 1003418.0413  0.0132 -5.5013 3  333.1160584  595161404362215 1    351718 1      C-13-H3C(O)CH3
 1003485.9662  0.0137 -5.8018 3  333.0882292  595161404362215 4    351718 4      C-13-H3C(O)CH3
 1003490.2560  0.0134 -5.8018 3  333.0882292  595161404362215 3    351718 3      C-13-H3C(O)CH3
 1003506.9426  0.1094 -4.5407 3  665.2398404  595161404502921 3    492822 3      C-13-H3C(O)CH3
 1003517.0400  0.0203 -3.9291 3  826.3135420  5951614045246 6 4    5145 6 4      C-13-H3C(O)CH3
 1003518.4188  0.1102 -4.5408 3  665.2397404  595161404502921 4    492822 4      C-13-H3C(O)CH3
 1003525.9631  0.1450 -4.5729 3  694.6310412  595161404513021 3    502922 3      C-13-H3C(O)CH3
 1003529.1288  0.0161 -3.6280 3  826.2772840  5951614045246 6 2    5145 6 2      C-13-H3C(O)CH3
 1003535.4584  0.0148 -3.6280 3  826.2959840  5951614045246 6 1    5145 6 1      C-13-H3C(O)CH3
 1003537.6365  0.3743 -4.6843 3 1073.3392A16  595161404633826 1    623725 1      C-13-H3C(O)CH3
 1003542.6786  0.1446 -4.5730 3  694.6308412  595161404513021 4    502922 4      C-13-H3C(O)CH3
 1003547.7935  0.0140 -3.6280 3  826.2593840  5951614045246 6 0    5145 7 0      C-13-H3C(O)CH3
 1003547.7935  0.0140 -3.6280 3  826.2593840  5951614045246 7 0    5145 6 0      C-13-H3C(O)CH3
 1003599.6676  0.0216 -3.9291 3  826.3040420  5951614045246 6 3    5145 6 3      C-13-H3C(O)CH3
 1003612.3221  0.0171 -3.6280 3  826.2675840  5951614045246 7 2    5145 7 2      C-13-H3C(O)CH3
 1003651.6574  0.0218 -3.9290 3  826.2908420  5951614045246 7 3    5145 7 3      C-13-H3C(O)CH3
 1003670.6950  0.0163 -3.6279 3  826.2731840  5951614045246 7 1    5145 7 1      C-13-H3C(O)CH3
 1003734.6773  0.0252 -3.9290 3  826.2812420  5951614045246 7 4    5145 7 4      C-13-H3C(O)CH3
 1003774.6649  0.1039 -5.2468 3 1406.6001596  595161404743440 4    733539 4      C-13-H3C(O)CH3
 1003774.6660  0.1039 -5.2468 3 1406.6001596  595161404743540 4    733439 4      C-13-H3C(O)CH3
 1003774.7029  0.1039 -5.2468 3 1406.6001596  595161404743440 3    733539 3      C-13-H3C(O)CH3
 1003774.7040  0.1039 -5.2468 3 1406.6001596  595161404743540 3    733439 3      C-13-H3C(O)CH3
 1003787.3223  0.1131 -4.9457 3 1406.5824B92  595161404743440 1    733539 1      C-13-H3C(O)CH3
 1003787.3234  0.1131 -4.9457 3 1406.5824B92  595161404743540 1    733439 1      C-13-H3C(O)CH3
 1003788.4073  0.1147 -4.9458 3 1406.5853B92  595161404743440 2    733539 2      C-13-H3C(O)CH3
 1003788.4081  0.1147 -4.9458 3 1406.5853B92  595161404743540 2    733439 2      C-13-H3C(O)CH3
 1003801.0142  0.1150 -4.9457 3 1406.5676B92  595161404743440 0    733539 0      C-13-H3C(O)CH3
 1003801.0151  0.1150 -4.9457 3 1406.5676B92  595161404743540 0    733439 0      C-13-H3C(O)CH3
 1003810.7780  0.1122 -4.2401 3  665.2494808  595161404502921 2    492822 2      C-13-H3C(O)CH3
 1003844.6933  0.1454 -5.1728 3 1696.6520E96  595161404931480 0    921379 0      C-13-H3C(O)CH3
 1003844.6933  0.1454 -5.1728 3 1696.6520E96  595161404931380 0    921479 0      C-13-H3C(O)CH3
 1003872.9282  0.1428 -5.7732 3 1696.6667E96  595161404931480 1    921479 1      C-13-H3C(O)CH3
 1003872.9282  0.1428 -5.2911 3 1696.6667E96  595161404931380 1    921479 1      C-13-H3C(O)CH3
 1003872.9282  0.1428 -5.7732 3 1696.6667E96  595161404931380 1    921379 1      C-13-H3C(O)CH3
 1003872.9282  0.1428 -5.2911 3 1696.6667E96  595161404931480 1    921379 1      C-13-H3C(O)CH3
 1003874.2826  0.1477 -5.1843 3 1696.6668E96  595161404931380 2    921379 2      C-13-H3C(O)CH3
 1003874.2826  0.1477 -5.1843 3 1696.6668E96  595161404931480 2    921479 2      C-13-H3C(O)CH3
 1003887.2117  0.1087 -5.2618 3 1429.3892604  595161404753442 4    743341 4      C-13-H3C(O)CH3
 1003887.2117  0.1087 -5.2618 3 1429.3892604  595161404753342 4    743441 4      C-13-H3C(O)CH3
 1003887.2488  0.1087 -5.2618 3 1429.3892604  595161404753442 3    743341 3      C-13-H3C(O)CH3
 1003887.2488  0.1087 -5.2618 3 1429.3892604  595161404753342 3    743441 3      C-13-H3C(O)CH3
 1003901.2594  0.1202 -4.9608 3 1429.3711C08  595161404753442 1    743341 1      C-13-H3C(O)CH3
 1003901.2594  0.1202 -4.9608 3 1429.3711C08  595161404753342 1    743441 1      C-13-H3C(O)CH3
 1003902.5483  0.1310 -5.4961 3 1696.6815748  595161404931480 3    921379 3      C-13-H3C(O)CH3
 1003902.5483  0.1310 -5.4961 3 1696.6815748  595161404931380 3    921479 3      C-13-H3C(O)CH3
 1003902.5827  0.1310 -5.6286 3 1696.6815748  595161404931480 4    921479 4      C-13-H3C(O)CH3
 1003902.5827  0.1310 -5.6286 3 1696.6815748  595161404931380 4    921379 4      C-13-H3C(O)CH3
 1003903.0228  0.1215 -4.9611 3 1429.3739C08  595161404753442 2    743341 2      C-13-H3C(O)CH3
 1003903.0228  0.1215 -4.9611 3 1429.3739C08  595161404753342 2    743441 2      C-13-H3C(O)CH3
 1003917.0202  0.1218 -4.9608 3 1429.3558C08  595161404753342 0    743441 0      C-13-H3C(O)CH3
 1003917.0202  0.1218 -4.9608 3 1429.3558C08  595161404753442 0    743341 0      C-13-H3C(O)CH3
 1003958.1132  0.1488 -4.2727 3  694.6383824  595161404513021 2    502922 2      C-13-H3C(O)CH3
 1003960.9332  0.0599 -4.2401 3  665.2522808  595161404502921 1    492822 1      C-13-H3C(O)CH3
 1003967.7593  0.1187 -4.5175 3  849.9619452  595161404563521 3    553422 3      C-13-H3C(O)CH3
 1003987.1792  0.0989 -5.2341 3 1383.1387588  595161404733538 4    723637 4      C-13-H3C(O)CH3
 1003987.2165  0.0989 -5.2341 3 1383.1387588  595161404733538 3    723637 3      C-13-H3C(O)CH3
 1003987.2282  0.0989 -5.2341 3 1383.1387588  595161404733638 4    723537 4      C-13-H3C(O)CH3
 1003987.2657  0.0989 -5.2341 3 1383.1387588  595161404733638 3    723537 3      C-13-H3C(O)CH3
 1003997.3556  0.1063 -4.9331 3 1383.1215B76  595161404733538 1    723637 1      C-13-H3C(O)CH3
 1003997.4038  0.1063 -4.9331 3 1383.1215B76  595161404733638 1    723537 1      C-13-H3C(O)CH3
 1003997.6212  0.1080 -4.9331 3 1383.1245B76  595161404733538 2    723637 2      C-13-H3C(O)CH3
 1003997.6612  0.1080 -4.9331 3 1383.1245B76  595161404733638 2    723537 2      C-13-H3C(O)CH3
 1004007.7512  0.1083 -4.9330 3 1383.1074B76  595161404733538 0    723637 0      C-13-H3C(O)CH3
 1004007.7904  0.1083 -4.9330 3 1383.1074B76  595161404733638 0    723537 0      C-13-H3C(O)CH3
 1004125.9845  0.0825 -4.2729 3  694.6409824  595161404513021 1    502922 1      C-13-H3C(O)CH3
 1004131.2589  0.0943 -4.5233 3  849.9599452  595161404563521 4    553422 4      C-13-H3C(O)CH3
 1004175.1930  0.1072 -4.2204 3  849.9510904  595161404563521 2    553422 2      C-13-H3C(O)CH3
 1004190.8177  0.0821 -4.2204 3  849.9509904  595161404563521 1    553422 1      C-13-H3C(O)CH3
 1004227.1245  0.1135 -5.2788 3 1451.5364612  595161404763344 4    753243 4      C-13-H3C(O)CH3
 1004227.1245  0.1135 -5.2787 3 1451.5364612  595161404763244 4    753343 4      C-13-H3C(O)CH3
 1004227.1597  0.1135 -5.2891 3 1451.5363612  595161404763344 3    753243 3      C-13-H3C(O)CH3
 1004227.1597  0.1135 -5.3015 3 1451.5363612  595161404763244 3    753343 3      C-13-H3C(O)CH3
 1004241.8315  0.1275 -4.9804 3 1451.5178C24  595161404763244 1    753343 1      C-13-H3C(O)CH3
 1004241.8315  0.1275 -4.9776 3 1451.5178C24  595161404763344 1    753243 1      C-13-H3C(O)CH3
 1004244.1852  0.1285 -4.9794 3 1451.5205C24  595161404763244 2    753343 2      C-13-H3C(O)CH3
 1004244.1852  0.1285 -4.9779 3 1451.5205C24  595161404763344 2    753243 2      C-13-H3C(O)CH3
 1004245.3015  0.0106 -4.5787 3  392.5748340  595161404421329 4    411230 4      C-13-H3C(O)CH3
 1004245.3015  0.0106 -4.5787 3  392.5748340  595161404421429 4    411130 4      C-13-H3C(O)CH3
 1004245.7003  0.0105 -4.9965 3  392.5749340  595161404421429 3    411130 3      C-13-H3C(O)CH3
 1004245.7003  0.0105 -4.9965 3  392.5749340  595161404421329 3    411230 3      C-13-H3C(O)CH3
 1004245.7003  0.0105 -4.7732 3  392.5749340  595161404421329 3    411130 3      C-13-H3C(O)CH3
 1004245.7003  0.0105 -4.7732 3  392.5749340  595161404421429 3    411230 3      C-13-H3C(O)CH3
 1004256.9727  0.0666 -4.2404 3  665.2618808  595161404502921 0    492822 0      C-13-H3C(O)CH3
 1004258.8444  0.1287 -4.9779 3 1451.5020C24  595161404763244 0    753243 0      C-13-H3C(O)CH3
 1004258.8444  0.1287 -4.9775 3 1451.5020C24  595161404763344 0    753343 0      C-13-H3C(O)CH3
 1004275.3752  0.1926 -5.4046 3 1623.0729D84  595161404862265 1    852264 1      C-13-H3C(O)CH3
 1004275.3752  0.1926 -5.4046 3 1623.0729D84  595161404862165 1    852164 1      C-13-H3C(O)CH3
 1004275.3752  0.1926 -5.4361 3 1623.0729D84  595161404862165 1    852264 1      C-13-H3C(O)CH3
 1004275.3752  0.1926 -5.4361 3 1623.0729D84  595161404862265 1    852164 1      C-13-H3C(O)CH3
 1004277.7735  0.1827 -5.1261 3 1623.0515D84  595161404862165 0    852264 0      C-13-H3C(O)CH3
 1004277.7735  0.1827 -5.1261 3 1623.0515D84  595161404862265 0    852164 0      C-13-H3C(O)CH3
 1004277.8881  0.1437 -5.6088 3 1623.0964692  595161404862165 3    852164 3      C-13-H3C(O)CH3
 1004277.8881  0.1437 -5.8732 3 1623.0964692  595161404862165 3    852264 3      C-13-H3C(O)CH3
 1004277.8881  0.1437 -5.6088 3 1623.0964692  595161404862265 3    852264 3      C-13-H3C(O)CH3
 1004277.8881  0.1437 -5.8732 3 1623.0964692  595161404862265 3    852164 3      C-13-H3C(O)CH3
 1004277.8927  0.1437 -5.5619 3 1623.0964692  595161404862165 4    852264 4      C-13-H3C(O)CH3
 1004277.8927  0.1437 -5.5619 3 1623.0964692  595161404862265 4    852164 4      C-13-H3C(O)CH3
 1004280.2749  0.1948 -5.1196 3 1623.0750D84  595161404862265 2    852164 2      C-13-H3C(O)CH3
 1004280.2749  0.1948 -5.1196 3 1623.0750D84  595161404862165 2    852264 2      C-13-H3C(O)CH3
 1004292.8716  0.0101 -4.3918 3  392.6017680  595161404421429 2    411130 2      C-13-H3C(O)CH3
 1004292.8716  0.0101 -4.8765 3  392.6017680  595161404421429 2    411230 2      C-13-H3C(O)CH3
 1004292.8716  0.0101 -4.3918 3  392.6017680  595161404421329 2    411230 2      C-13-H3C(O)CH3
 1004292.8716  0.0101 -4.8765 3  392.6017680  595161404421329 2    411130 2      C-13-H3C(O)CH3
 1004297.7692  0.0103 -4.2770 3  392.6027680  595161404421429 1    411130 1      C-13-H3C(O)CH3
 1004297.7692  0.0103 -4.2770 3  392.6027680  595161404421329 1    411230 1      C-13-H3C(O)CH3
 1004317.3897  0.1056 -5.5029 3 1735.9795G08  595161404A0 595 0    99 594 0      C-13-H3C(O)CH3
 1004317.3897  0.1056 -5.4292 3 1735.9795G08  595161404A0 695 0    99 594 0      C-13-H3C(O)CH3
 1004317.3897  0.1056 -5.4292 3 1735.9795G08  595161404A0 595 0    99 694 0      C-13-H3C(O)CH3
 1004317.3897  0.1056 -5.5029 3 1735.9795G08  595161404A0 695 0    99 694 0      C-13-H3C(O)CH3
 1004324.2960  0.0841 -4.2216 3  849.9411904  595161404563521 0    553422 0      C-13-H3C(O)CH3
 1004325.7307  0.1357 -5.1636 3 1735.9472G08  595161404A0 595 1    99 594 1      C-13-H3C(O)CH3
 1004325.7307  0.1357 -5.1636 3 1735.9472G08  595161404A0 695 1    99 694 1      C-13-H3C(O)CH3
 1004325.8091  0.1309 -5.1639 3 1735.9472G08  595161404A0 595 2    99 694 2      C-13-H3C(O)CH3
 1004325.8091  0.1309 -5.1639 3 1735.9472G08  595161404A0 695 2    99 594 2      C-13-H3C(O)CH3
 1004334.1428  0.0867 -5.4783 3 1735.9148804  595161404A0 595 4    99 594 4      C-13-H3C(O)CH3
 1004334.1428  0.0867 -5.4783 3 1735.9148804  595161404A0 695 4    99 694 4      C-13-H3C(O)CH3
 1004334.1555  0.0866 -5.5285 3 1735.9149804  595161404A0 595 3    99 594 3      C-13-H3C(O)CH3
 1004334.1555  0.0866 -5.5243 3 1735.9149804  595161404A0 695 3    99 694 3      C-13-H3C(O)CH3
 1004344.8907  0.0083 -4.4337 3  392.6294680  595161404421429 0    411130 0      C-13-H3C(O)CH3
 1004344.8907  0.0083 -4.4337 3  392.6294680  595161404421329 0    411230 0      C-13-H3C(O)CH3
 1004344.8907  0.0083 -4.7692 3  392.6294680  595161404421329 0    411130 0      C-13-H3C(O)CH3
 1004344.8907  0.0083 -4.7692 3  392.6294680  595161404421429 0    411230 0      C-13-H3C(O)CH3
 1004362.3428  0.0290 -5.9477 3  882.8184460  595161404573622 4    563522 4      C-13-H3C(O)CH3
 1004364.5153  0.4307 -4.9843 3 1073.3258508  595161404633826 4    623725 4      C-13-H3C(O)CH3
 1004386.3750  0.4484 -4.9841 3 1073.3254508  595161404633826 3    623725 3      C-13-H3C(O)CH3
 1004408.9087  0.0190 -5.4302 3  362.6780600  595161404372513 1    362016 1      C-13-H3C(O)CH3
 1004444.7029  0.0187 -5.4262 3  362.6991600  595161404372513 0    362016 0      C-13-H3C(O)CH3
 1004549.2452  0.0905 -4.2737 3  694.6483824  595161404513021 0    502922 0      C-13-H3C(O)CH3
 1004688.4341  0.0936 -5.2253 3 1358.9613580  595161404723636 4    713735 4      C-13-H3C(O)CH3
 1004688.4654  0.0937 -5.2253 3 1358.9613580  595161404723636 3    713735 3      C-13-H3C(O)CH3
 1004690.2320  0.0935 -5.2253 3 1358.9613580  595161404723736 4    713635 4      C-13-H3C(O)CH3
 1004690.2675  0.0935 -5.2253 3 1358.9612580  595161404723736 3    713635 3      C-13-H3C(O)CH3
 1004693.5933  0.1013 -4.9242 3 1358.9481B60  595161404723636 2    713735 2      C-13-H3C(O)CH3
 1004694.3474  0.0995 -4.9242 3 1358.9448B60  595161404723636 1    713735 1      C-13-H3C(O)CH3
 1004695.1589  0.1012 -4.9242 3 1358.9480B60  595161404723736 2    713635 2      C-13-H3C(O)CH3
 1004696.0961  0.0996 -4.9242 3 1358.9448B60  595161404723736 1    713635 1      C-13-H3C(O)CH3
 1004699.4731  0.1018 -4.9241 3 1358.9316B60  595161404723636 0    713735 0      C-13-H3C(O)CH3
 1004699.9232  0.0228 -5.7947 3  362.6467300  595161404372513 4    362016 4      C-13-H3C(O)CH3
 1004700.9914  0.1018 -4.9241 3 1358.9316B60  595161404723736 0    713635 0      C-13-H3C(O)CH3
 1004732.2969  0.1181 -5.9073 3 1473.0635620  595161404773146 4    763145 4      C-13-H3C(O)CH3
 1004732.2969  0.1181 -5.9073 3 1473.0635620  595161404773246 4    763245 4      C-13-H3C(O)CH3
 1004732.2969  0.1181 -5.4179 3 1473.0635620  595161404773146 4    763245 4      C-13-H3C(O)CH3
 1004732.2969  0.1181 -5.4179 3 1473.0635620  595161404773246 4    763145 4      C-13-H3C(O)CH3
 1004732.3296  0.1181 -5.3084 3 1473.0634620  595161404773146 3    763145 3      C-13-H3C(O)CH3
 1004732.3296  0.1181 -5.3084 3 1473.0634620  595161404773246 3    763245 3      C-13-H3C(O)CH3
 1004747.1321  0.1349 -4.9949 3 1473.0445C40  595161404773146 1    763245 1      C-13-H3C(O)CH3
 1004747.1321  0.1349 -4.9949 3 1473.0445C40  595161404773246 1    763145 1      C-13-H3C(O)CH3
 1004750.0132  0.1356 -5.3149 3 1473.0472C40  595161404773146 2    763245 2      C-13-H3C(O)CH3
 1004750.0132  0.1356 -5.2778 3 1473.0472C40  595161404773146 2    763145 2      C-13-H3C(O)CH3
 1004750.0132  0.1356 -5.2778 3 1473.0472C40  595161404773246 2    763245 2      C-13-H3C(O)CH3
 1004750.0132  0.1356 -5.3149 3 1473.0472C40  595161404773246 2    763145 2      C-13-H3C(O)CH3
 1004764.8042  0.1357 -5.0146 3 1473.0283C40  595161404773146 0    763245 0      C-13-H3C(O)CH3
 1004764.8042  0.1357 -5.0146 3 1473.0283C40  595161404773246 0    763145 0      C-13-H3C(O)CH3
 1004813.3898  0.0211 -5.4744 3  362.6677600  595161404372513 2    362016 2      C-13-H3C(O)CH3
 1004857.9210  0.0257 -5.7510 3  362.6466300  595161404372513 3    362016 3      C-13-H3C(O)CH3
 1005034.8386  0.1375 -5.2006 3 1707.5985F12  595161404941282 0    931281 0      C-13-H3C(O)CH3
 1005034.8386  0.1375 -5.2006 3 1707.5985F12  595161404941382 0    931381 0      C-13-H3C(O)CH3
 1005066.0261  0.1341 -5.1889 3 1707.6099F12  595161404941382 1    931281 1      C-13-H3C(O)CH3
 1005066.0261  0.1341 -5.1889 3 1707.6099F12  595161404941282 1    931381 1      C-13-H3C(O)CH3
 1005066.8877  0.1364 -5.1811 3 1707.6099F12  595161404941382 2    931381 2      C-13-H3C(O)CH3
 1005066.8877  0.1364 -5.1811 3 1707.6099F12  595161404941282 2    931281 2      C-13-H3C(O)CH3
 1005098.1053  0.1285 -5.5081 3 1707.6213756  595161404941382 3    931381 3      C-13-H3C(O)CH3
 1005098.1053  0.1285 -5.5081 3 1707.6213756  595161404941282 3    931281 3      C-13-H3C(O)CH3
 1005098.1425  0.1285 -5.4781 3 1707.6213756  595161404941382 4    931281 4      C-13-H3C(O)CH3
 1005098.1425  0.1285 -5.4781 3 1707.6213756  595161404941282 4    931381 4      C-13-H3C(O)CH3
 1005124.5072  0.0187 -3.9907 3  833.4924428  5951614045344 9 4    5243 9 4      C-13-H3C(O)CH3
 1005151.4805  0.0151 -3.6897 3  833.4648856  595161404534410 2    524310 2      C-13-H3C(O)CH3
 1005172.4003  0.1640 -5.6855 3  866.7153904  595161404563819 2    553718 2      C-13-H3C(O)CH3
 1005189.3736  0.0122 -3.6896 3  833.4724856 -5951614045344 9 1    5243 9 1      C-13-H3C(O)CH3
 1005216.0665  0.0109 -3.6895 3  833.4446856 -595161404534410 0    5243 9 0      C-13-H3C(O)CH3
 1005216.0665  0.0109 -3.6895 3  833.4446856 -5951614045344 9 0    524310 0      C-13-H3C(O)CH3
 1005235.7085  0.0182 -3.9907 3  833.4961428  5951614045344 9 3    5243 9 3      C-13-H3C(O)CH3
 1005246.5530  0.0193 -3.9907 3  833.4798428  595161404534410 3    524310 3      C-13-H3C(O)CH3
 1005262.8292  0.0133 -3.6896 3  833.4684856 -5951614045344 9 2    5243 9 2      C-13-H3C(O)CH3
 1005311.6736  0.0119 -3.6895 3  833.4597856 -595161404534410 1    524310 1      C-13-H3C(O)CH3
 1005346.7372  0.1293 -5.5038 3  866.7055904  595161404563819 1    553718 1      C-13-H3C(O)CH3
 1005347.8862  0.1849 -5.1428 3 1638.3195E00  595161404872067 0    862166 0      C-13-H3C(O)CH3
 1005347.8862  0.1849 -5.1428 3 1638.3195E00  595161404872167 0    862066 0      C-13-H3C(O)CH3
 1005348.5145  0.1953 -5.5857 3 1638.3412E00  595161404872167 1    862166 1      C-13-H3C(O)CH3
 1005348.5145  0.1953 -5.3241 3 1638.3412E00  595161404872067 1    862166 1      C-13-H3C(O)CH3
 1005348.5145  0.1953 -5.5857 3 1638.3412E00  595161404872067 1    862066 1      C-13-H3C(O)CH3
 1005348.5145  0.1953 -5.3241 3 1638.3412E00  595161404872167 1    862066 1      C-13-H3C(O)CH3
 1005353.2368  0.1985 -5.5997 3 1638.3431E00  595161404872067 2    862066 2      C-13-H3C(O)CH3
 1005353.2368  0.1985 -5.5997 3 1638.3431E00  595161404872167 2    862166 2      C-13-H3C(O)CH3
 1005353.2368  0.1985 -5.3166 3 1638.3431E00  595161404872067 2    862166 2      C-13-H3C(O)CH3
 1005353.2368  0.1985 -5.3166 3 1638.3431E00  595161404872167 2    862066 2      C-13-H3C(O)CH3
 1005353.8793  0.1452 -5.6742 3 1638.3648700  595161404872067 3    862066 3      C-13-H3C(O)CH3
 1005353.8793  0.1452 -5.6742 3 1638.3648700  595161404872167 3    862166 3      C-13-H3C(O)CH3
 1005353.8793  0.1452 -5.8094 3 1638.3648700  595161404872067 3    862166 3      C-13-H3C(O)CH3
 1005353.8793  0.1452 -5.8094 3 1638.3648700  595161404872167 3    862066 3      C-13-H3C(O)CH3
 1005353.8875  0.1452 -5.4356 3 1638.3649700  595161404872167 4    862066 4      C-13-H3C(O)CH3
 1005353.8875  0.1452 -5.4356 3 1638.3649700  595161404872067 4    862166 4      C-13-H3C(O)CH3
 1005358.3733  0.0190 -3.9907 3  833.4834428  595161404534410 4    524310 4      C-13-H3C(O)CH3
 1005361.2944  0.1227 -5.6207 3 1493.9870628  595161404783148 4    773047 4      C-13-H3C(O)CH3
 1005361.2944  0.1227 -5.6097 3 1493.9870628  595161404783048 4    773047 4      C-13-H3C(O)CH3
 1005361.2944  0.1227 -5.6207 3 1493.9870628  595161404783048 4    773147 4      C-13-H3C(O)CH3
 1005361.2944  0.1227 -5.6097 3 1493.9870628  595161404783148 4    773147 4      C-13-H3C(O)CH3
 1005361.3244  0.1227 -5.4029 3 1493.9869628  595161404783048 3    773047 3      C-13-H3C(O)CH3
 1005361.3244  0.1227 -5.4385 3 1493.9869628  595161404783148 3    773147 3      C-13-H3C(O)CH3
 1005361.3244  0.1227 -5.9182 3 1493.9869628  595161404783148 3    773047 3      C-13-H3C(O)CH3
 1005375.8442  0.1425 -5.5506 3 1493.9675C56  595161404783148 1    773147 1      C-13-H3C(O)CH3
 1005375.8442  0.1425 -5.5506 3 1493.9675C56  595161404783048 1    773047 1      C-13-H3C(O)CH3
 1005375.8442  0.1425 -5.1619 3 1493.9675C56  595161404783048 1    773147 1      C-13-H3C(O)CH3
 1005375.8442  0.1425 -5.1619 3 1493.9675C56  595161404783148 1    773047 1      C-13-H3C(O)CH3
 1005379.2017  0.1429 -5.2360 3 1493.9703C56  595161404783148 2    773147 2      C-13-H3C(O)CH3
 1005379.2017  0.1429 -5.2360 3 1493.9703C56  595161404783048 2    773047 2      C-13-H3C(O)CH3
 1005379.2017  0.1429 -5.4095 3 1493.9703C56  595161404783048 2    773147 2      C-13-H3C(O)CH3
 1005379.2017  0.1429 -5.4095 3 1493.9703C56  595161404783148 2    773047 2      C-13-H3C(O)CH3
 1005393.7116  0.1427 -5.3139 3 1493.9509C56  595161404783148 0    773047 0      C-13-H3C(O)CH3
 1005393.7116  0.1427 -5.3143 3 1493.9509C56  595161404783048 0    773047 0      C-13-H3C(O)CH3
 1005393.7116  0.1427 -5.2083 3 1493.9509C56  595161404783148 0    773147 0      C-13-H3C(O)CH3
 1005393.7116  0.1427 -5.4543 3 1493.9509C56  595161404783048 0    773147 0      C-13-H3C(O)CH3
 1005861.6708  0.0186 -3.9839 3  866.6623904  595161404563819 0    553718 0      C-13-H3C(O)CH3
 1005872.8551  0.0255 -5.6776 3  419.0482632  595161404392911 1    382612 1      C-13-H3C(O)CH3
 1005991.7888  0.1648 -4.7553 3  866.7346452  595161404563819 3    553718 3      C-13-H3C(O)CH3
 1006002.0549  0.0184 -3.9926 3  866.7153904 -595161404563818 2    553718 2      C-13-H3C(O)CH3
 1006019.8116  0.0187 -3.9972 3  866.7055904 -595161404563818 1    553718 1      C-13-H3C(O)CH3
 1006032.6750  0.0240 -4.2876 3  866.7612452  595161404563818 4    553718 4      C-13-H3C(O)CH3
 1006085.4465  0.1271 -5.4860 3 1514.3196636  595161404793050 4    783049 4      C-13-H3C(O)CH3
 1006085.4465  0.1271 -5.8595 3 1514.3196636  595161404792950 4    783049 4      C-13-H3C(O)CH3
 1006085.4465  0.1271 -5.4860 3 1514.3196636  595161404792950 4    782949 4      C-13-H3C(O)CH3
 1006085.4465  0.1271 -5.8595 3 1514.3196636  595161404793050 4    782949 4      C-13-H3C(O)CH3
 1006085.4734  0.1271 -5.5675 3 1514.3195636  595161404793050 3    783049 3      C-13-H3C(O)CH3
 1006085.4734  0.1271 -5.7119 3 1514.3195636  595161404792950 3    783049 3      C-13-H3C(O)CH3
 1006085.4734  0.1271 -5.5675 3 1514.3195636  595161404792950 3    782949 3      C-13-H3C(O)CH3
 1006085.4734  0.1271 -5.7119 3 1514.3195636  595161404793050 3    782949 3      C-13-H3C(O)CH3
 1006099.3688  0.1502 -5.0964 3 1514.2997C72  595161404793050 1    783049 1      C-13-H3C(O)CH3
 1006099.3688  0.1502 -5.8899 3 1514.2997C72  595161404792950 1    783049 1      C-13-H3C(O)CH3
 1006099.3688  0.1502 -5.8899 3 1514.2997C72  595161404793050 1    782949 1      C-13-H3C(O)CH3
 1006099.3688  0.1502 -5.0964 3 1514.2997C72  595161404792950 1    782949 1      C-13-H3C(O)CH3
 1006103.1563  0.1503 -5.5036 3 1514.3025C72  595161404792950 2    783049 2      C-13-H3C(O)CH3
 1006103.1563  0.1503 -5.2104 3 1514.3025C72  595161404793050 2    783049 2      C-13-H3C(O)CH3
 1006103.1563  0.1503 -5.5036 3 1514.3025C72  595161404793050 2    782949 2      C-13-H3C(O)CH3
 1006103.1563  0.1503 -5.2104 3 1514.3025C72  595161404792950 2    782949 2      C-13-H3C(O)CH3
 1006117.0436  0.1496 -5.5609 3 1514.2826C72  595161404792950 0    783049 0      C-13-H3C(O)CH3
 1006117.0436  0.1496 -5.1838 3 1514.2826C72  595161404792950 0    782949 0      C-13-H3C(O)CH3
 1006117.0436  0.1496 -5.1838 3 1514.2826C72  595161404793050 0    783049 0      C-13-H3C(O)CH3
 1006117.0436  0.1496 -5.5609 3 1514.2826C72  595161404793050 0    782949 0      C-13-H3C(O)CH3
 1006138.5990  0.0186 -3.9836 3  866.6559904  595161404563818 0    553719 0      C-13-H3C(O)CH3
 1006158.2437  0.0948 -4.9215 3 1333.9735B44  595161404713734 0    703833 0      C-13-H3C(O)CH3
 1006159.3639  0.0944 -4.9216 3 1333.9888B44  595161404713734 2    703833 2      C-13-H3C(O)CH3
 1006160.4464  0.0926 -4.9216 3 1333.9852B44  595161404713734 1    703833 1      C-13-H3C(O)CH3
 1006161.5367  0.0885 -5.2227 3 1334.0006572  595161404713734 3    703833 3      C-13-H3C(O)CH3
 1006161.5464  0.0884 -5.2227 3 1334.0007572  595161404713734 4    703833 4      C-13-H3C(O)CH3
 1006170.4207  0.0321 -4.4637 3  866.7346452  595161404563818 3    553718 3      C-13-H3C(O)CH3
 1006196.6101  0.0177 -3.9966 3  866.6771904 -595161404563819 1    553719 1      C-13-H3C(O)CH3
 1006204.5501  0.0962 -4.9215 3 1333.9723B44  595161404713834 0    703733 0      C-13-H3C(O)CH3
 1006207.1189  0.0935 -4.9215 3 1333.9876B44  595161404713834 2    703733 2      C-13-H3C(O)CH3
 1006211.3328  0.0930 -4.9216 3 1333.9839B44  595161404713834 1    703733 1      C-13-H3C(O)CH3
 1006213.1818  0.0182 -3.9918 3  866.6806904 -595161404563819 2    553719 2      C-13-H3C(O)CH3
 1006213.9377  0.0862 -5.2227 3 1333.9993572  595161404713834 4    703733 4      C-13-H3C(O)CH3
 1006213.9888  0.0861 -5.2227 3 1333.9993572  595161404713834 3    703733 3      C-13-H3C(O)CH3
 1006239.5332  0.1308 -5.1969 3 1718.0163F28  595161404951184 0    941283 0      C-13-H3C(O)CH3
 1006239.5332  0.1308 -5.1969 3 1718.0163F28  595161404951284 0    941183 0      C-13-H3C(O)CH3
 1006251.6030  0.0188 -4.9643 3  419.0662632  595161404392911 0    382612 0      C-13-H3C(O)CH3
 1006260.8052  0.0309 -4.4635 3  866.7256452  595161404563819 3    553719 3      C-13-H3C(O)CH3
 1006272.8418  0.1298 -5.5823 3 1718.0236F28  595161404951284 1    941183 1      C-13-H3C(O)CH3
 1006272.8418  0.1298 -5.4084 3 1718.0236F28  595161404951284 1    941283 1      C-13-H3C(O)CH3
 1006272.8418  0.1298 -5.5823 3 1718.0236F28  595161404951184 1    941283 1      C-13-H3C(O)CH3
 1006272.8418  0.1298 -5.4084 3 1718.0236F28  595161404951184 1    941183 1      C-13-H3C(O)CH3
 1006273.2816  0.1282 -5.4096 3 1718.0234F28  595161404951184 2    941183 2      C-13-H3C(O)CH3
 1006273.2816  0.1282 -5.5806 3 1718.0234F28  595161404951184 2    941283 2      C-13-H3C(O)CH3
 1006273.2816  0.1282 -5.4096 3 1718.0234F28  595161404951284 2    941283 2      C-13-H3C(O)CH3
 1006273.2816  0.1282 -5.5806 3 1718.0234F28  595161404951284 2    941183 2      C-13-H3C(O)CH3
 1006306.6175  0.1258 -5.4915 3 1718.0307764  595161404951284 3    941283 3      C-13-H3C(O)CH3
 1006306.6175  0.1258 -5.4915 3 1718.0307764  595161404951184 3    941183 3      C-13-H3C(O)CH3
 1006306.6571  0.1258 -5.4931 3 1718.0307764  595161404951284 4    941183 4      C-13-H3C(O)CH3
 1006306.6571  0.1258 -5.4931 3 1718.0307764  595161404951184 4    941283 4      C-13-H3C(O)CH3
 1006357.9226  0.0186 -4.0651 3  842.4761436  595161404544213 4    534112 4      C-13-H3C(O)CH3
 1006378.1167  0.0234 -5.3330 3  419.0377316  595161404392910 3    382612 3      C-13-H3C(O)CH3
 1006398.7186  0.0255 -4.2862 3  866.6992452  595161404563819 4    553719 4      C-13-H3C(O)CH3
 1006399.1978  0.0119 -4.7147 3  350.4530332  595161404411031 4    40 832 4      C-13-H3C(O)CH3
 1006399.1978  0.0119 -4.7147 3  350.4530332  595161404411131 4    40 932 4      C-13-H3C(O)CH3
 1006399.3010  0.0149 -3.7639 3  842.4468872  595161404544213 2    534113 2      C-13-H3C(O)CH3
 1006399.8044  0.0113 -4.7086 3  350.4530332  595161404411031 3    40 932 3      C-13-H3C(O)CH3
 1006399.8044  0.0113 -4.7086 3  350.4530332  595161404411131 3    40 832 3      C-13-H3C(O)CH3
 1006436.3993  0.1857 -5.4365 3 1653.0458E16  595161404881969 0    872068 0      C-13-H3C(O)CH3
 1006436.3993  0.1857 -5.4645 3 1653.0458E16  595161404881969 0    871968 0      C-13-H3C(O)CH3
 1006436.3993  0.1857 -5.4645 3 1653.0458E16  595161404882069 0    872068 0      C-13-H3C(O)CH3
 1006436.3993  0.1857 -5.4365 3 1653.0458E16  595161404882069 0    871968 0      C-13-H3C(O)CH3
 1006439.4370  0.1680 -4.7550 3  866.7256452  595161404563818 3    553719 3      C-13-H3C(O)CH3
 1006440.3627  0.1962 -5.3992 3 1653.0676E16  595161404881969 1    872068 1      C-13-H3C(O)CH3
 1006440.3627  0.1962 -5.5083 3 1653.0676E16  595161404881969 1    871968 1      C-13-H3C(O)CH3
 1006440.3627  0.1962 -5.3992 3 1653.0676E16  595161404882069 1    871968 1      C-13-H3C(O)CH3
 1006440.3627  0.1962 -5.5083 3 1653.0676E16  595161404882069 1    872068 1      C-13-H3C(O)CH3
 1006443.7044  0.0113 -3.7637 3  842.4426872 -595161404544212 1    534112 1      C-13-H3C(O)CH3
 1006444.8190  0.2004 -5.1828 3 1653.0694E16  595161404881969 2    872068 2      C-13-H3C(O)CH3
 1006444.8190  0.2004 -5.2138 3 1653.0694E16  595161404881969 2    871968 2      C-13-H3C(O)CH3
 1006448.7992  0.1461 -5.7917 3 1653.0912708  595161404881969 3    871968 3      C-13-H3C(O)CH3
 1006448.7992  0.1461 -5.7917 3 1653.0912708  595161404882069 3    872068 3      C-13-H3C(O)CH3
 1006448.7992  0.1461 -5.7145 3 1653.0912708  595161404882069 3    871968 3      C-13-H3C(O)CH3
 1006448.7992  0.1461 -5.7145 3 1653.0912708  595161404881969 3    872068 3      C-13-H3C(O)CH3
 1006448.8112  0.1462 -5.6002 3 1653.0912708  595161404881969 4    871968 4      C-13-H3C(O)CH3
 1006448.8112  0.1462 -5.6002 3 1653.0912708  595161404882069 4    872068 4      C-13-H3C(O)CH3
 1006453.5766  0.0193 -5.0553 3  419.0482632  595161404392910 1    382612 1      C-13-H3C(O)CH3
 1006485.1242  0.0090 -3.7636 3  842.4133872 -595161404544213 0    534112 0      C-13-H3C(O)CH3
 1006485.1242  0.0090 -3.7636 3  842.4133872 -595161404544212 0    534113 0      C-13-H3C(O)CH3
 1006494.0219  0.0188 -4.0650 3  842.4689436  595161404544213 3    534113 3      C-13-H3C(O)CH3
 1006503.6911  0.0205 -5.0557 3  419.0271632  595161404392911 1    382613 1      C-13-H3C(O)CH3
 1006514.2952  0.0168 -4.0649 3  842.4790436  595161404544212 3    534112 3      C-13-H3C(O)CH3
 1006515.4078  0.1985 -4.6573 3  888.3757460  595161404573721 4    563620 4      C-13-H3C(O)CH3
 1006531.5756  0.0195 -4.9911 3  419.0635632  595161404392910 2    382612 2      C-13-H3C(O)CH3
 1006555.6340  0.0126 -3.7637 3  842.4497872  595161404544212 2    534112 2      C-13-H3C(O)CH3
 1006579.8555  0.0111 -3.7636 3  842.4354872 -595161404544213 1    534113 1      C-13-H3C(O)CH3
 1006591.9649  0.0111 -5.1497 3  350.4719664  595161404411031 2    40 832 2      C-13-H3C(O)CH3
 1006591.9649  0.0111 -4.4937 3  350.4719664  595161404411031 2    40 932 2      C-13-H3C(O)CH3
 1006591.9649  0.0111 -4.4937 3  350.4719664  595161404411131 2    40 832 2      C-13-H3C(O)CH3
 1006591.9649  0.0111 -5.1497 3  350.4719664  595161404411131 2    40 932 2      C-13-H3C(O)CH3
 1006596.3944  0.0113 -4.4336 3  350.4727664  595161404411031 1    40 932 1      C-13-H3C(O)CH3
 1006596.3944  0.0113 -5.6345 3  350.4727664  595161404411031 1    40 832 1      C-13-H3C(O)CH3
 1006596.3944  0.0113 -4.4336 3  350.4727664  595161404411131 1    40 832 1      C-13-H3C(O)CH3
 1006596.3944  0.0113 -5.6345 3  350.4727664  595161404411131 1    40 932 1      C-13-H3C(O)CH3
 1006607.9911  0.0082 -4.1531 3  467.4333712  595161404441826 0    431727 0      C-13-H3C(O)CH3
 1006607.9922  0.0082 -4.1531 3  467.4333712  595161404441926 0    431627 0      C-13-H3C(O)CH3
 1006630.0805  0.0208 -5.2768 3  419.0487316  595161404392910 4    382612 4      C-13-H3C(O)CH3
 1006650.7854  0.0175 -4.0648 3  842.4717436  595161404544212 4    534113 4      C-13-H3C(O)CH3
 1006679.6264  0.0104 -4.1529 3  467.4050712  595161404441826 2    431727 2      C-13-H3C(O)CH3
 1006679.6276  0.0104 -4.1529 3  467.4050712  595161404441926 2    431627 2      C-13-H3C(O)CH3
 1006684.9195  0.0095 -4.1528 3  467.4064712  595161404441826 1    431727 1      C-13-H3C(O)CH3
 1006684.9207  0.0095 -4.1528 3  467.4064712  595161404441926 1    431627 1      C-13-H3C(O)CH3
 1006696.4606  0.0248 -5.2792 3  419.0033316  595161404392911 4    382613 4      C-13-H3C(O)CH3
 1006747.5904  0.0186 -4.9641 3  419.0498632  595161404392910 0    382613 0      C-13-H3C(O)CH3
 1006756.6660  0.0117 -4.4535 3  467.3781356  595161404441826 4    431727 4      C-13-H3C(O)CH3
 1006756.6674  0.0117 -4.4535 3  467.3781356  595161404441926 4    431627 4      C-13-H3C(O)CH3
 1006756.7011  0.0117 -4.4535 3  467.3781356  595161404441826 3    431727 3      C-13-H3C(O)CH3
 1006756.7024  0.0117 -4.4535 3  467.3781356  595161404441926 3    431627 3      C-13-H3C(O)CH3
 1006760.1582  0.4617 -4.8327 3 1175.2068A64  595161404663928 0    653827 0      C-13-H3C(O)CH3
 1006788.2548  0.0100 -4.7371 3  350.4916664  595161404411131 0    40 832 0      C-13-H3C(O)CH3
 1006788.2548  0.0100 -4.6807 3  350.4916664  595161404411131 0    40 932 0      C-13-H3C(O)CH3
 1006788.2548  0.0100 -4.7371 3  350.4916664  595161404411031 0    40 932 0      C-13-H3C(O)CH3
 1006788.2548  0.0100 -4.6807 3  350.4916664  595161404411031 0    40 832 0      C-13-H3C(O)CH3
 1006833.4047  0.0205 -4.9931 3  419.0297632  595161404392911 2    382613 2      C-13-H3C(O)CH3
 1006869.5456  0.1361 -5.5028 3  866.6771904  595161404563818 1    553719 1      C-13-H3C(O)CH3
 1006880.2660  0.0955 -4.2033 3  888.3448920  595161404573721 2    563620 2      C-13-H3C(O)CH3
 1006884.3425  0.1313 -5.3520 3 1534.0713644  595161404802852 4    792851 4      C-13-H3C(O)CH3
 1006884.3425  0.1313 -5.3520 3 1534.0713644  595161404802952 4    792951 4      C-13-H3C(O)CH3
 1006884.3662  0.1313 -5.3741 3 1534.0713644  595161404802952 3    792851 3      C-13-H3C(O)CH3
 1006884.3662  0.1313 -5.3741 3 1534.0713644  595161404802852 3    792951 3      C-13-H3C(O)CH3
 1006897.3397  0.1580 -5.6176 3 1534.0510C88  595161404802952 1    792851 1      C-13-H3C(O)CH3
 1006897.3397  0.1580 -5.6176 3 1534.0510C88  595161404802852 1    792951 1      C-13-H3C(O)CH3
 1006897.3397  0.1580 -5.1875 3 1534.0510C88  595161404802852 1    792851 1      C-13-H3C(O)CH3
 1006897.3397  0.1580 -5.1875 3 1534.0510C88  595161404802952 1    792951 1      C-13-H3C(O)CH3
 1006901.5113  0.1579 -5.0507 3 1534.0537C88  595161404802852 2    792951 2      C-13-H3C(O)CH3
 1006901.5113  0.1579 -5.0507 3 1534.0537C88  595161404802952 2    792851 2      C-13-H3C(O)CH3
 1006910.9914  0.0388 -4.1213 3  888.3169920  595161404573721 0    563620 0      C-13-H3C(O)CH3
 1006914.4787  0.1563 -5.0533 3 1534.0334C88  595161404802852 0    792951 0      C-13-H3C(O)CH3
 1006914.4787  0.1563 -5.0533 3 1534.0334C88  595161404802952 0    792851 0      C-13-H3C(O)CH3
 1006925.2780  0.0181 -4.1581 3  853.4561444  595161404554015 4    543915 4      C-13-H3C(O)CH3
 1006933.3584  0.0668 -4.1833 3  888.3418920  595161404573721 1    563620 1      C-13-H3C(O)CH3
 1006948.2761  0.0227 -5.3345 3  419.0144316  595161404392911 3    382613 3      C-13-H3C(O)CH3
 1006956.8976  0.0145 -3.8568 3  853.4178888 -595161404554015 2    543915 2      C-13-H3C(O)CH3
 1006992.1298  0.0136 -3.8567 3  853.4068888 -595161404554015 1    543915 1      C-13-H3C(O)CH3
 1007014.7860  0.0229 -5.6543 3  370.2869292  5951614043630 7 4    3527 9 4      C-13-H3C(O)CH3
 1007024.1159  0.0111 -3.8565 3  853.3684888 -595161404554016 0    543915 0      C-13-H3C(O)CH3
 1007024.4283  0.0111 -3.8565 3  853.3684888  595161404554015 0    543916 0      C-13-H3C(O)CH3
 1007042.9267  0.1722 -5.6843 3  866.6806904  595161404563818 2    553719 2      C-13-H3C(O)CH3
 1007084.4127  0.0280 -5.6765 3  419.0271632  595161404392910 1    382613 1      C-13-H3C(O)CH3
 1007084.5783  0.0194 -4.1582 3  853.4442444  595161404554016 3    543916 3      C-13-H3C(O)CH3
 1007094.4512  0.0224 -5.6516 3  370.2958292  5951614043630 7 3    3527 8 3      C-13-H3C(O)CH3
 1007109.5898  0.2881 -5.2819 3 1281.3218556  595161404693930 3    684029 3      C-13-H3C(O)CH3
 1007111.9217  0.2801 -5.2819 3 1281.3217556  595161404693930 4    684029 4      C-13-H3C(O)CH3
 1007119.9757  0.0188 -4.1580 3  853.4445444  595161404554015 3    543915 3      C-13-H3C(O)CH3
 1007151.4039  0.0145 -3.8564 3  853.4061888 -595161404554016 2    543916 2      C-13-H3C(O)CH3
 1007151.4039  0.0135 -3.8564 3  853.3948888 -595161404554016 1    543916 1      C-13-H3C(O)CH3
 1007216.8726  0.0196 -5.3541 3  370.3107584  5951614043630 7 1    3527 9 1      C-13-H3C(O)CH3
 1007216.9898  0.2600 -4.9803 3 1281.3088B12  595161404693930 1    684029 1      C-13-H3C(O)CH3
 1007279.3552  0.0219 -4.1574 3  853.4325444  595161404554016 4    543916 4      C-13-H3C(O)CH3
 1007303.4537  0.5405 -4.8327 3 1175.2017A64  595161404663928 2    653827 2      C-13-H3C(O)CH3
 1007330.6546  0.0188 -5.3563 3  370.3257584  5951614043630 7 2    3527 9 2      C-13-H3C(O)CH3
 1007348.1419  0.3305 -4.9798 3 1281.3118B12  595161404693930 2    684029 2      C-13-H3C(O)CH3
 1007376.9577  0.0353 -4.4222 3  888.3634460  595161404573721 3    563620 3      C-13-H3C(O)CH3
 1007408.2336  0.0200 -5.3536 3  370.3345584  5951614043630 6 2    3527 8 2      C-13-H3C(O)CH3
 1007451.0515  0.2705 -4.9792 3 1281.2990B12  595161404693930 0    684029 0      C-13-H3C(O)CH3
 1007459.2264  0.1265 -5.1965 3 1727.9067F44  595161404961186 0    951185 0      C-13-H3C(O)CH3
 1007459.2264  0.1265 -5.1965 3 1727.9067F44  595161404961086 0    951085 0      C-13-H3C(O)CH3
 1007493.4776  0.1316 -5.2012 3 1727.9089F44  595161404961086 1    951085 1      C-13-H3C(O)CH3
 1007493.4776  0.1316 -5.2012 3 1727.9089F44  595161404961186 1    951185 1      C-13-H3C(O)CH3
 1007493.5950  0.1258 -5.2981 3 1727.9087F44  595161404961186 2    951085 2      C-13-H3C(O)CH3
 1007493.5950  0.1258 -5.8636 3 1727.9087F44  595161404961186 2    951185 2      C-13-H3C(O)CH3
 1007493.5950  0.1258 -5.8636 3 1727.9087F44  595161404961086 2    951085 2      C-13-H3C(O)CH3
 1007493.5950  0.1258 -5.2981 3 1727.9087F44  595161404961086 2    951185 2      C-13-H3C(O)CH3
 1007499.7971  0.0228 -5.6542 3  370.2942292  5951614043630 6 3    3527 9 3      C-13-H3C(O)CH3
 1007522.8611  0.4096 -4.8325 3 1175.1920A64  595161404663928 1    653827 1      C-13-H3C(O)CH3
 1007527.8689  0.1229 -5.5052 3 1727.9109772  595161404961186 3    951085 3      C-13-H3C(O)CH3
 1007527.8689  0.1229 -5.5052 3 1727.9109772  595161404961086 3    951185 3      C-13-H3C(O)CH3
 1007527.9097  0.1229 -5.6108 3 1727.9108772  595161404961086 4    951085 4      C-13-H3C(O)CH3
 1007527.9097  0.1229 -5.6108 3 1727.9108772  595161404961186 4    951185 4      C-13-H3C(O)CH3
 1007535.3638  0.0195 -5.3571 3  370.3493584  5951614043630 7 0    3527 8 0      C-13-H3C(O)CH3
 1007535.7672  0.0195 -5.3571 3  370.3493584  5951614043630 6 0    3527 9 0      C-13-H3C(O)CH3
 1007541.8612  0.1850 -5.7544 3 1667.2325E32  595161404891871 0    881870 0      C-13-H3C(O)CH3
 1007541.8612  0.1850 -5.9466 3 1667.2325E32  595161404891971 0    881970 0      C-13-H3C(O)CH3
 1007541.8612  0.1850 -5.2921 3 1667.2325E32  595161404891971 0    881870 0      C-13-H3C(O)CH3
 1007541.8612  0.1850 -5.2416 3 1667.2325E32  595161404891871 0    881970 0      C-13-H3C(O)CH3
 1007549.4424  0.1949 -5.1887 3 1667.2543E32  595161404891871 1    881970 1      C-13-H3C(O)CH3
 1007549.4424  0.1949 -5.1887 3 1667.2543E32  595161404891971 1    881870 1      C-13-H3C(O)CH3
 1007553.5470  0.2002 -5.1694 3 1667.2558E32  595161404891971 2    881870 2      C-13-H3C(O)CH3
 1007553.5470  0.2002 -5.1694 3 1667.2558E32  595161404891871 2    881970 2      C-13-H3C(O)CH3
 1007561.1480  0.1466 -5.5844 3 1667.2776716  595161404891971 3    881870 3      C-13-H3C(O)CH3
 1007561.1480  0.1466 -5.5844 3 1667.2776716  595161404891871 3    881970 3      C-13-H3C(O)CH3
 1007561.1636  0.1467 -5.4791 3 1667.2776716  595161404891871 4    881870 4      C-13-H3C(O)CH3
 1007561.1636  0.1467 -5.4791 3 1667.2776716  595161404891971 4    881970 4      C-13-H3C(O)CH3
 1007575.1097  0.0299 -3.5745 3  830.3444824  5951614045149 2 1    5048 2 1      C-13-H3C(O)CH3
 1007576.1876  0.0261 -5.6515 3  370.3031292  5951614043630 6 4    3527 8 4      C-13-H3C(O)CH3
 1007613.3914  0.0278 -3.5744 3  830.2844824  5951614045149 2 0    5048 2 0      C-13-H3C(O)CH3
 1007613.3914  0.0278 -3.5744 3  830.2844824  5951614045149 3 0    5048 3 0      C-13-H3C(O)CH3
 1007615.6108  0.0358 -3.8756 3  830.3858412  5951614045149 2 4    5048 2 4      C-13-H3C(O)CH3
 1007653.3556  0.0298 -3.5744 3  830.3258824  5951614045149 2 2    5048 2 2      C-13-H3C(O)CH3
 1007686.9533  0.0256 -5.0172 3  478.3553680  595161404422914 1    412615 1      C-13-H3C(O)CH3
 1007699.8061  0.0206 -5.3540 3  370.3179584  5951614043630 6 1    3527 8 1      C-13-H3C(O)CH3
 1007725.1437  0.0405 -3.8755 3  830.3463412  5951614045149 3 3    5048 3 3      C-13-H3C(O)CH3
 1007733.1696  0.0163 -4.9633 3  307.6714324  59516140440 733 4    39 534 4      C-13-H3C(O)CH3
 1007733.1696  0.0163 -4.9633 3  307.6714324  59516140440 833 4    39 634 4      C-13-H3C(O)CH3
 1007733.7912  0.0151 -5.0174 3  307.6713324  59516140440 733 3    39 634 3      C-13-H3C(O)CH3
 1007733.7912  0.0151 -5.7179 3  307.6713324  59516140440 733 3    39 534 3      C-13-H3C(O)CH3
 1007733.7912  0.0151 -5.0174 3  307.6713324  59516140440 833 3    39 534 3      C-13-H3C(O)CH3
 1007733.7912  0.0151 -5.7179 3  307.6713324  59516140440 833 3    39 634 3      C-13-H3C(O)CH3
 1007743.1200  0.1353 -5.9262 3 1553.2502652  595161404812754 4    802753 4      C-13-H3C(O)CH3
 1007743.1200  0.1353 -5.5113 3 1553.2502652  595161404812754 4    802853 4      C-13-H3C(O)CH3
 1007743.1200  0.1353 -5.5113 3 1553.2502652  595161404812854 4    802753 4      C-13-H3C(O)CH3
 1007743.1200  0.1353 -5.9262 3 1553.2502652  595161404812854 4    802853 4      C-13-H3C(O)CH3
 1007743.1403  0.1353 -5.6744 3 1553.2502652  595161404812854 3    802753 3      C-13-H3C(O)CH3
 1007743.1403  0.1353 -5.6676 3 1553.2502652  595161404812854 3    802853 3      C-13-H3C(O)CH3
 1007743.1403  0.1353 -5.6676 3 1553.2502652  595161404812754 3    802753 3      C-13-H3C(O)CH3
 1007743.1403  0.1353 -5.6744 3 1553.2502652  595161404812754 3    802853 3      C-13-H3C(O)CH3
 1007753.2931  0.0377 -5.4079 3  478.3353340  595161404422914 4    412615 4      C-13-H3C(O)CH3
 1007754.9212  0.1658 -5.2769 3 1553.2294D04  595161404812854 1    802753 1      C-13-H3C(O)CH3
 1007754.9212  0.1658 -5.4884 3 1553.2294D04  595161404812854 1    802853 1      C-13-H3C(O)CH3
 1007754.9212  0.1658 -5.4884 3 1553.2294D04  595161404812754 1    802753 1      C-13-H3C(O)CH3
 1007754.9212  0.1658 -5.2769 3 1553.2294D04  595161404812754 1    802853 1      C-13-H3C(O)CH3
 1007759.4285  0.1656 -5.1968 3 1553.2322D04  595161404812854 2    802853 2      C-13-H3C(O)CH3
 1007759.4285  0.1656 -5.6622 3 1553.2322D04  595161404812854 2    802753 2      C-13-H3C(O)CH3
 1007759.4285  0.1656 -5.6622 3 1553.2322D04  595161404812754 2    802853 2      C-13-H3C(O)CH3
 1007759.4285  0.1656 -5.1968 3 1553.2322D04  595161404812754 2    802753 2      C-13-H3C(O)CH3
 1007762.9317  0.0368 -3.5743 3  830.2863824  5951614045149 3 2    5048 3 2      C-13-H3C(O)CH3
 1007771.2053  0.1630 -5.1315 3 1553.2114D04  595161404812754 0    802853 0      C-13-H3C(O)CH3
 1007771.2053  0.1630 -5.9409 3 1553.2114D04  595161404812754 0    802753 0      C-13-H3C(O)CH3
 1007771.2053  0.1630 -5.9409 3 1553.2114D04  595161404812854 0    802853 0      C-13-H3C(O)CH3
 1007771.2053  0.1630 -5.1315 3 1553.2114D04  595161404812854 0    802753 0      C-13-H3C(O)CH3
 1007779.8745  0.0344 -3.5743 3  830.3156824  5951614045149 3 1    5048 3 1      C-13-H3C(O)CH3
 1007795.5386  0.0233 -4.7835 3  478.3718680  595161404422914 0    412615 0      C-13-H3C(O)CH3
 1007820.2709  0.0397 -3.8754 3  830.3569412  5951614045149 2 3    5048 2 3      C-13-H3C(O)CH3
 1007929.2763  0.0518 -3.8752 3  830.3175412  5951614045149 3 4    5048 3 4      C-13-H3C(O)CH3
 1007964.6308  0.0342 -5.0638 3  478.3509680  595161404422914 2    412615 2      C-13-H3C(O)CH3
 1008068.6818  0.4369 -5.1335 3 1175.1869532  595161404663928 4    653827 4      C-13-H3C(O)CH3
 1008074.5578  0.4485 -5.1335 3 1175.1867532  595161404663928 3    653827 3      C-13-H3C(O)CH3
 1008151.2648  0.0123 -5.2586 3  307.6721648  59516140440 733 2    39 634 2      C-13-H3C(O)CH3
 1008151.2648  0.0123 -4.7556 3  307.6721648  59516140440 733 2    39 534 2      C-13-H3C(O)CH3
 1008151.2648  0.0123 -5.2586 3  307.6721648  59516140440 833 2    39 534 2      C-13-H3C(O)CH3
 1008151.2648  0.0123 -4.7556 3  307.6721648  59516140440 833 2    39 634 2      C-13-H3C(O)CH3
 1008154.6536  0.0133 -4.6453 3  307.6726648  59516140440 733 1    39 534 1      C-13-H3C(O)CH3
 1008154.6536  0.0133 -4.6453 3  307.6726648  59516140440 833 1    39 634 1      C-13-H3C(O)CH3
 1008294.4115  0.0250 -5.8240 3  342.8574552  5951614043431 4 2    3328 6 2      C-13-H3C(O)CH3
 1008386.2588  0.0222 -5.9260 3  327.1154568  595161404352511 0    342014 0      C-13-H3C(O)CH3
 1008431.2480  0.0267 -5.8221 3  342.8385552  5951614043431 4 1    3328 6 1      C-13-H3C(O)CH3
 1008457.5365  0.0279 -5.3813 3  264.2631316  59516140439 435 4    38 336 4      C-13-H3C(O)CH3
 1008457.5365  0.0279 -5.3813 3  264.2631316  59516140439 535 4    38 236 4      C-13-H3C(O)CH3
 1008457.5501  0.0261 -5.5103 3  264.2630316  59516140439 435 3    38 336 3      C-13-H3C(O)CH3
 1008457.5501  0.0261 -5.4229 3  264.2630316  59516140439 535 3    38 336 3      C-13-H3C(O)CH3
 1008481.5701  0.0308 -5.1623 3  478.3553680  595161404422913 1    412615 1      C-13-H3C(O)CH3
 1008570.6097  0.0436 -5.2586 3  478.3335340  595161404422914 3    412615 3      C-13-H3C(O)CH3
 1008571.3735  0.0118 -4.6369 3  307.6734648  59516140440 733 0    39 634 0      C-13-H3C(O)CH3
 1008571.3735  0.0118 -4.6384 3  307.6734648  59516140440 833 0    39 534 0      C-13-H3C(O)CH3
 1008585.6505  0.0901 -4.9314 3 1308.1377B28  595161404703832 1    693931 1      C-13-H3C(O)CH3
 1008588.7947  0.0961 -5.2326 3 1308.1515564  595161404703832 3    693931 3      C-13-H3C(O)CH3
 1008589.1190  0.0951 -5.2326 3 1308.1515564  595161404703832 4    693931 4      C-13-H3C(O)CH3
 1008594.4805  0.0891 -4.9312 3 1308.1280B28  595161404703832 0    693931 0      C-13-H3C(O)CH3
 1008598.2131  0.0985 -4.9313 3 1308.1417B28  595161404703832 2    693931 2      C-13-H3C(O)CH3
 1008650.7571  0.1390 -5.4268 3 1571.8629660  595161404822756 4    812655 4      C-13-H3C(O)CH3
 1008650.7571  0.1390 -5.4268 3 1571.8629660  595161404822656 4    812755 4      C-13-H3C(O)CH3
 1008650.7738  0.1390 -5.6711 3 1571.8629660  595161404822756 3    812655 3      C-13-H3C(O)CH3
 1008650.7738  0.1390 -5.7086 3 1571.8629660  595161404822756 3    812755 3      C-13-H3C(O)CH3
 1008650.7738  0.1390 -5.6711 3 1571.8629660  595161404822656 3    812755 3      C-13-H3C(O)CH3
 1008650.7738  0.1390 -5.7086 3 1571.8629660  595161404822656 3    812655 3      C-13-H3C(O)CH3
 1008661.1070  0.1735 -5.1369 3 1571.8415D20  595161404822756 1    812655 1      C-13-H3C(O)CH3
 1008661.1070  0.1735 -5.1369 3 1571.8415D20  595161404822656 1    812755 1      C-13-H3C(O)CH3
 1008663.1839  0.1827 -5.1901 3 1680.8817E48  595161404901873 0    891872 0      C-13-H3C(O)CH3
 1008663.1839  0.1827 -5.1901 3 1680.8817E48  595161404901773 0    891772 0      C-13-H3C(O)CH3
 1008665.8971  0.1733 -5.4079 3 1571.8443D20  595161404822656 2    812755 2      C-13-H3C(O)CH3
 1008665.8971  0.1733 -5.3697 3 1571.8443D20  595161404822656 2    812655 2      C-13-H3C(O)CH3
 1008665.8971  0.1733 -5.3697 3 1571.8443D20  595161404822756 2    812755 2      C-13-H3C(O)CH3
 1008665.8971  0.1733 -5.4079 3 1571.8443D20  595161404822756 2    812655 2      C-13-H3C(O)CH3
 1008674.6211  0.1913 -5.1824 3 1680.9031E48  595161404901873 1    891772 1      C-13-H3C(O)CH3
 1008674.6211  0.1913 -5.1771 3 1680.9031E48  595161404901773 1    891872 1      C-13-H3C(O)CH3
 1008676.2282  0.1693 -5.2303 3 1571.8230D20  595161404822656 0    812655 0      C-13-H3C(O)CH3
 1008676.2282  0.1693 -5.2303 3 1571.8230D20  595161404822756 0    812755 0      C-13-H3C(O)CH3
 1008676.2282  0.1693 -5.6393 3 1571.8230D20  595161404822656 0    812755 0      C-13-H3C(O)CH3
 1008676.2282  0.1693 -5.6393 3 1571.8230D20  595161404822756 0    812655 0      C-13-H3C(O)CH3
 1008678.2955  0.1976 -5.3028 3 1680.9043E48  595161404901773 2    891772 2      C-13-H3C(O)CH3
 1008678.2955  0.1976 -5.7763 3 1680.9043E48  595161404901873 2    891772 2      C-13-H3C(O)CH3
 1008678.2955  0.1976 -5.7763 3 1680.9043E48  595161404901773 2    891872 2      C-13-H3C(O)CH3
 1008678.2955  0.1976 -5.3028 3 1680.9043E48  595161404901873 2    891872 2      C-13-H3C(O)CH3
 1008689.7553  0.1466 -5.5887 3 1680.9258724  595161404901773 3    891772 3      C-13-H3C(O)CH3
 1008689.7553  0.1466 -5.5887 3 1680.9258724  595161404901873 3    891872 3      C-13-H3C(O)CH3
 1008689.7744  0.1466 -5.6128 3 1680.9258724  595161404901773 4    891772 4      C-13-H3C(O)CH3
 1008689.7744  0.1466 -5.6128 3 1680.9258724  595161404901873 4    891872 4      C-13-H3C(O)CH3
 1008694.5089  0.1252 -5.3670 3 1737.2709F60  595161404971088 0    96 987 0      C-13-H3C(O)CH3
 1008694.5089  0.1252 -5.6982 3 1737.2709F60  595161404971088 0    961087 0      C-13-H3C(O)CH3
 1008694.5089  0.1252 -5.6982 3 1737.2709F60  59516140497 988 0    96 987 0      C-13-H3C(O)CH3
 1008694.5089  0.1252 -5.3670 3 1737.2709F60  59516140497 988 0    961087 0      C-13-H3C(O)CH3
 1008699.7079  0.0461 -4.2592 3  641.2275792  595161404493020 0    482721 0      C-13-H3C(O)CH3
 1008700.3999  0.0252 -5.8213 3  342.8580552  5951614043431 3 2    3328 5 2      C-13-H3C(O)CH3
 1008728.0542  0.1301 -5.8535 3 1737.2668F60  59516140497 988 2    96 987 2      C-13-H3C(O)CH3
 1008728.0542  0.1301 -5.8535 3 1737.2668F60  595161404971088 2    961087 2      C-13-H3C(O)CH3
 1008728.0542  0.1301 -5.3100 3 1737.2668F60  595161404971088 2    96 987 2      C-13-H3C(O)CH3
 1008728.0542  0.1301 -5.3100 3 1737.2668F60  59516140497 988 2    961087 2      C-13-H3C(O)CH3
 1008728.1399  0.1391 -5.2220 3 1737.2670F60  595161404971088 1    961087 1      C-13-H3C(O)CH3
 1008728.1399  0.1391 -5.2220 3 1737.2670F60  59516140497 988 1    96 987 1      C-13-H3C(O)CH3
 1008761.7014  0.1198 -5.9174 3 1737.2629780  59516140497 988 3    961087 3      C-13-H3C(O)CH3
 1008761.7014  0.1198 -5.6787 3 1737.2629780  59516140497 988 3    96 987 3      C-13-H3C(O)CH3
 1008761.7014  0.1198 -5.7168 3 1737.2629780  595161404971088 3    961087 3      C-13-H3C(O)CH3
 1008761.7414  0.1198 -5.6533 3 1737.2629780  595161404971088 4    961087 4      C-13-H3C(O)CH3
 1008761.7414  0.1198 -5.6533 3 1737.2629780  59516140497 988 4    96 987 4      C-13-H3C(O)CH3
 1008773.9071  0.0255 -5.8262 3  342.8924552  5951614043431 4 0    3328 5 0      C-13-H3C(O)CH3
 1008773.9074  0.0255 -5.8262 3  342.8924552  5951614043431 3 0    3328 6 0      C-13-H3C(O)CH3
 1009008.2653  0.0496 -5.5649 3  478.3335340  595161404422913 3    412615 3      C-13-H3C(O)CH3
 1009043.4363  0.0402 -4.2601 3  641.2117792  595161404493020 1    482721 1      C-13-H3C(O)CH3
 1009139.1867  0.0253 -5.8227 3  342.8505552  5951614043431 3 1    3328 5 1      C-13-H3C(O)CH3
 1009158.9388  0.0461 -5.1073 3  478.3509680  595161404422913 2    412615 2      C-13-H3C(O)CH3
 1009174.7871  0.0404 -4.2609 3  641.2058792  595161404493020 2    482721 2      C-13-H3C(O)CH3
 1009210.8359  0.0271 -5.1282 3  264.2299632  59516140439 535 2    38 236 2      C-13-H3C(O)CH3
 1009210.8359  0.0271 -5.1282 3  264.2299632  59516140439 435 2    38 336 2      C-13-H3C(O)CH3
 1009212.6994  0.0293 -5.1067 3  264.2303632  59516140439 435 1    38 236 1      C-13-H3C(O)CH3
 1009212.6994  0.0293 -5.1067 3  264.2303632  59516140439 535 1    38 336 1      C-13-H3C(O)CH3
 1009213.4574  0.0381 -4.9905 3  888.3418920  595161404573720 1    563620 1      C-13-H3C(O)CH3
 1009235.5277  0.0497 -4.8791 3  888.3448920  595161404573720 2    563620 2      C-13-H3C(O)CH3
 1009501.5901  0.0250 -4.5631 3  641.1899396  595161404493020 4    482721 4      C-13-H3C(O)CH3
 1009505.2296  0.0636 -4.7966 3  888.3757460  595161404573720 4    563620 4      C-13-H3C(O)CH3
 1009538.8181  0.0232 -3.9249 3  835.3758420  5951614045247 5 4    5146 5 4      C-13-H3C(O)CH3
 1009542.6025  0.0274 -4.5628 3  641.1898396  595161404493020 3    482721 3      C-13-H3C(O)CH3
 1009543.7066  0.0178 -3.6239 3  835.3553840  5951614045247 5 1    5146 5 1      C-13-H3C(O)CH3
 1009556.6796  0.0186 -3.6238 3  835.3345840  5951614045247 5 2    5146 5 2      C-13-H3C(O)CH3
 1009561.9912  0.0169 -3.6238 3  835.3138840  5951614045247 6 0    5146 6 0      C-13-H3C(O)CH3
 1009561.9912  0.0169 -3.6238 3  835.3138840  5951614045247 5 0    5146 5 0      C-13-H3C(O)CH3
 1009598.9586  0.1424 -5.4135 3 1589.9147668  595161404832658 4    822657 4      C-13-H3C(O)CH3
 1009598.9586  0.1424 -5.4135 3 1589.9147668  595161404832558 4    822557 4      C-13-H3C(O)CH3
 1009598.9716  0.1424 -5.4635 3 1589.9147668  595161404832658 3    822657 3      C-13-H3C(O)CH3
 1009598.9716  0.1424 -5.4635 3 1589.9147668  595161404832558 3    822557 3      C-13-H3C(O)CH3
 1009607.6095  0.1809 -5.1224 3 1589.8928D36  595161404832658 1    822657 1      C-13-H3C(O)CH3
 1009607.6095  0.1809 -5.1224 3 1589.8928D36  595161404832558 1    822557 1      C-13-H3C(O)CH3
 1009612.6234  0.1809 -5.1374 3 1589.8955D36  595161404832558 2    822557 2      C-13-H3C(O)CH3
 1009612.6234  0.1809 -5.1374 3 1589.8955D36  595161404832658 2    822657 2      C-13-H3C(O)CH3
 1009620.6138  0.0253 -3.9249 3  835.3602420  5951614045247 5 3    5146 5 3      C-13-H3C(O)CH3
 1009621.2615  0.1754 -5.1490 3 1589.8737D36  595161404832558 0    822657 0      C-13-H3C(O)CH3
 1009621.2615  0.1754 -5.1490 3 1589.8737D36  595161404832658 0    822557 0      C-13-H3C(O)CH3
 1009639.0151  0.0211 -3.6238 3  835.3188840  5951614045247 6 2    5146 6 2      C-13-H3C(O)CH3
 1009651.0555  0.1074 -4.9301 3 1308.1016B28  595161404703932 0    693831 0      C-13-H3C(O)CH3
 1009683.1150  0.0923 -4.9302 3 1308.1146B28  595161404703932 2    693831 2      C-13-H3C(O)CH3
 1009687.0970  0.0253 -3.9248 3  835.3514420  5951614045247 6 3    5146 6 3      C-13-H3C(O)CH3
 1009692.5914  0.0202 -3.6237 3  835.3309840  5951614045247 6 1    5146 6 1      C-13-H3C(O)CH3
 1009709.3337  0.0964 -4.9302 3 1308.1097B28  595161404703932 1    693831 1      C-13-H3C(O)CH3
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 1009742.2379  0.0716 -5.2314 3 1308.1228564  595161404703932 3    693831 3      C-13-H3C(O)CH3
 1009769.0523  0.0308 -3.9247 3  835.3358420  5951614045247 6 4    5146 6 4      C-13-H3C(O)CH3
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 1009799.5848  0.1786 -5.5145 3 1693.9950E64  595161404911775 0    901674 0      C-13-H3C(O)CH3
 1009799.5848  0.1786 -5.4682 3 1693.9950E64  595161404911775 0    901774 0      C-13-H3C(O)CH3
 1009799.5848  0.1786 -5.4682 3 1693.9950E64  595161404911675 0    901674 0      C-13-H3C(O)CH3
 1009815.0460  0.1850 -5.1953 3 1694.0158E64  595161404911775 1    901674 1      C-13-H3C(O)CH3
 1009815.0460  0.1850 -5.1953 3 1694.0158E64  595161404911675 1    901774 1      C-13-H3C(O)CH3
 1009818.2242  0.1921 -5.4741 3 1694.0167E64  595161404911775 2    901674 2      C-13-H3C(O)CH3
 1009818.2242  0.1921 -5.4741 3 1694.0167E64  595161404911675 2    901774 2      C-13-H3C(O)CH3
 1009818.2242  0.1921 -5.5081 3 1694.0167E64  595161404911775 2    901774 2      C-13-H3C(O)CH3
 1009818.2242  0.1921 -5.5081 3 1694.0167E64  595161404911675 2    901674 2      C-13-H3C(O)CH3
 1009833.7108  0.1461 -5.5890 3 1694.0375732  595161404911675 3    901674 3      C-13-H3C(O)CH3
 1009833.7108  0.1461 -5.5890 3 1694.0375732  595161404911775 3    901774 3      C-13-H3C(O)CH3
 1009833.7334  0.1461 -5.5094 3 1694.0375732  595161404911675 4    901674 4      C-13-H3C(O)CH3
 1009833.7334  0.1461 -5.5094 3 1694.0375732  595161404911775 4    901774 4      C-13-H3C(O)CH3
 1009946.0660  0.1259 -5.2740 3 1746.1098F76  59516140498 890 0    97 889 0      C-13-H3C(O)CH3
 1009946.0660  0.1259 -5.2740 3 1746.1098F76  59516140498 990 0    97 989 0      C-13-H3C(O)CH3
 1009964.3873  0.0254 -5.0782 3  264.1972632  59516140439 435 0    38 336 0      C-13-H3C(O)CH3
 1009964.3873  0.0254 -5.0782 3  264.1972632  59516140439 535 0    38 236 0      C-13-H3C(O)CH3
 1009976.9582  0.1387 -5.2128 3 1746.0988F76  59516140498 990 2    97 889 2      C-13-H3C(O)CH3
 1009976.9582  0.1387 -5.2128 3 1746.0988F76  59516140498 890 2    97 989 2      C-13-H3C(O)CH3
 1009977.1221  0.1490 -5.5046 3 1746.0991F76  59516140498 990 1    97 889 1      C-13-H3C(O)CH3
 1009977.1221  0.1490 -5.5114 3 1746.0991F76  59516140498 990 1    97 989 1      C-13-H3C(O)CH3
 1009977.1221  0.1490 -5.5114 3 1746.0991F76  59516140498 890 1    97 889 1      C-13-H3C(O)CH3
 1009977.1221  0.1490 -5.5046 3 1746.0991F76  59516140498 890 1    97 989 1      C-13-H3C(O)CH3
 1010008.0235  0.1161 -5.5356 3 1746.0881788  59516140498 890 3    97 989 3      C-13-H3C(O)CH3
 1010008.0235  0.1161 -5.5356 3 1746.0881788  59516140498 990 3    97 889 3      C-13-H3C(O)CH3
 1010008.0591  0.1161 -5.6880 3 1746.0880788  59516140498 890 4    97 989 4      C-13-H3C(O)CH3
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 1010581.4064  0.1455 -5.5314 3 1607.4103676  595161404842560 4    832559 4      C-13-H3C(O)CH3
 1010581.4157  0.1455 -5.9271 3 1607.4102676  595161404842560 3    832559 3      C-13-H3C(O)CH3
 1010581.4157  0.1455 -5.5882 3 1607.4102676  595161404842560 3    832459 3      C-13-H3C(O)CH3
 1010581.4157  0.1455 -5.5882 3 1607.4102676  595161404842460 3    832559 3      C-13-H3C(O)CH3
 1010581.4157  0.1455 -5.9271 3 1607.4102676  595161404842460 3    832459 3      C-13-H3C(O)CH3
 1010588.1137  0.1881 -5.7719 3 1607.3879D52  595161404842460 1    832459 1      C-13-H3C(O)CH3
 1010588.1137  0.1881 -5.7719 3 1607.3879D52  595161404842560 1    832559 1      C-13-H3C(O)CH3
 1010588.1137  0.1881 -5.2338 3 1607.3879D52  595161404842560 1    832459 1      C-13-H3C(O)CH3
 1010588.1137  0.1881 -5.2338 3 1607.3879D52  595161404842460 1    832559 1      C-13-H3C(O)CH3
 1010593.2853  0.1883 -5.2322 3 1607.3905D52  595161404842560 2    832459 2      C-13-H3C(O)CH3
 1010593.2853  0.1883 -5.2322 3 1607.3905D52  595161404842460 2    832559 2      C-13-H3C(O)CH3
 1010593.2853  0.1883 -5.7776 3 1607.3905D52  595161404842460 2    832459 2      C-13-H3C(O)CH3
 1010593.2853  0.1883 -5.7776 3 1607.3905D52  595161404842560 2    832559 2      C-13-H3C(O)CH3
 1010599.9857  0.1810 -5.1492 3 1607.3682D52  595161404842460 0    832559 0      C-13-H3C(O)CH3
 1010599.9857  0.1810 -5.1492 3 1607.3682D52  595161404842560 0    832459 0      C-13-H3C(O)CH3
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 1010970.0954  0.1764 -5.5410 3 1706.5939E80  595161404921677 1    911576 1      C-13-H3C(O)CH3
 1010970.0954  0.1764 -5.5410 3 1706.5939E80  595161404921577 1    911676 1      C-13-H3C(O)CH3
 1010970.0954  0.1764 -5.4678 3 1706.5939E80  595161404921677 1    911676 1      C-13-H3C(O)CH3
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 1010992.3342  0.1449 -5.6287 3 1706.6142740  595161404921577 4    911676 4      C-13-H3C(O)CH3
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 1011102.9780  0.0099 -5.6371 3  426.1013696  595161404431628 2    421429 2      C-13-H3C(O)CH3
 1011102.9780  0.0099 -5.6369 3  426.1013696  595161404431528 2    421329 2      C-13-H3C(O)CH3
 1011102.9780  0.0099 -4.2313 3  426.1013696  595161404431628 2    421329 2      C-13-H3C(O)CH3
 1011102.9780  0.0099 -4.2313 3  426.1013696  595161404431528 2    421429 2      C-13-H3C(O)CH3
 1011104.8218  0.0761 -4.6244 3  570.1057744  595161404463017 2    452718 2      C-13-H3C(O)CH3
 1011107.7222  0.0099 -5.4841 3  426.1024696  595161404431528 1    421429 1      C-13-H3C(O)CH3
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 1011107.7222  0.0099 -4.2386 3  426.1024696  595161404431628 1    421429 1      C-13-H3C(O)CH3
 1011107.7222  0.0099 -5.4841 3  426.1024696  595161404431628 1    421329 1      C-13-H3C(O)CH3
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 1011214.5951  0.1263 -5.6177 3 1754.4242F92  59516140499 892 0    98 891 0      C-13-H3C(O)CH3
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 1011240.6495  0.1467 -5.2752 3 1754.4058F92  59516140499 792 2    98 791 2      C-13-H3C(O)CH3
 1011240.7816  0.1565 -5.5497 3 1754.4060F92  59516140499 892 1    98 791 1      C-13-H3C(O)CH3
 1011240.7816  0.1565 -5.5497 3 1754.4060F92  59516140499 792 1    98 891 1      C-13-H3C(O)CH3
 1011240.7816  0.1565 -5.4799 3 1754.4060F92  59516140499 792 1    98 791 1      C-13-H3C(O)CH3
 1011240.7816  0.1565 -5.4799 3 1754.4060F92  59516140499 892 1    98 891 1      C-13-H3C(O)CH3
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 1011266.8391  0.1111 -5.6517 3 1754.3876796  59516140499 792 3    98 791 3      C-13-H3C(O)CH3
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 1011266.8652  0.1111 -5.6557 3 1754.3875796  59516140499 892 4    98 791 4      C-13-H3C(O)CH3
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 1011300.2545  0.0136 -3.6817 3  841.9856856 -5951614045345 8 1    5244 8 1      C-13-H3C(O)CH3
 1011327.1501  0.0125 -3.6816 3  841.9563856  5951614045345 8 0    5244 8 0      C-13-H3C(O)CH3
 1011327.1501  0.0125 -3.6816 3  841.9563856  5951614045345 9 0    5244 9 0      C-13-H3C(O)CH3
 1011343.4699  0.0201 -3.9828 3  842.0046428  5951614045345 8 3    5244 8 3      C-13-H3C(O)CH3
 1011369.2243  0.0208 -3.9827 3  841.9883428  5951614045345 9 3    5244 9 3      C-13-H3C(O)CH3
 1011370.8957  0.0153 -3.6817 3  841.9752856  5951614045345 8 2    5244 8 2      C-13-H3C(O)CH3
 1011424.9300  0.0140 -3.6816 3  841.9711856 -5951614045345 9 1    5244 9 1      C-13-H3C(O)CH3
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 1011468.3362  0.0222 -3.9827 3  841.9901428  5951614045345 9 4    5244 9 4      C-13-H3C(O)CH3
 1011479.1597  0.0092 -4.1369 3  501.0101728  595161404452025 0    441926 0      C-13-H3C(O)CH3
 1011479.2176  0.0092 -4.1369 3  501.0101728  595161404452125 0    441826 0      C-13-H3C(O)CH3
 1011493.1700  0.0248 -5.2769 3  438.1224324  595161404402911 4    392613 4      C-13-H3C(O)CH3
 1011542.3094  0.0351 -5.5919 3  457.8560332  595161404412913 4    402614 4      C-13-H3C(O)CH3
 1011571.0222  0.0121 -4.1366 3  500.9842728  595161404452025 2    441926 2      C-13-H3C(O)CH3
 1011571.0869  0.0121 -4.1366 3  500.9842728  595161404452125 2    441826 2      C-13-H3C(O)CH3
 1011576.8877  0.0100 -4.1366 3  500.9858728  595161404452025 1    441926 1      C-13-H3C(O)CH3
 1011576.9504  0.0100 -4.1366 3  500.9858728  595161404452125 1    441826 1      C-13-H3C(O)CH3
 1011593.2430  0.1483 -5.4636 3 1624.3535684  595161404852462 4    842361 4      C-13-H3C(O)CH3
 1011593.2430  0.1483 -5.4636 3 1624.3535684  595161404852362 4    842461 4      C-13-H3C(O)CH3
 1011593.2485  0.1483 -5.4661 3 1624.3534684  595161404852362 3    842361 3      C-13-H3C(O)CH3
 1011593.2485  0.1483 -5.4661 3 1624.3534684  595161404852462 3    842461 3      C-13-H3C(O)CH3
 1011597.7618  0.1946 -5.1903 3 1624.3306D68  595161404852462 1    842361 1      C-13-H3C(O)CH3
 1011597.7618  0.1946 -5.1903 3 1624.3306D68  595161404852362 1    842461 1      C-13-H3C(O)CH3
 1011603.0175  0.1954 -5.1440 3 1624.3332D68  595161404852462 2    842461 2      C-13-H3C(O)CH3
 1011603.0175  0.1954 -5.1440 3 1624.3332D68  595161404852362 2    842361 2      C-13-H3C(O)CH3
 1011607.5356  0.1862 -5.2730 3 1624.3103D68  595161404852362 0    842361 0      C-13-H3C(O)CH3
 1011607.5356  0.1862 -5.7212 3 1624.3103D68  595161404852462 0    842361 0      C-13-H3C(O)CH3
 1011607.5356  0.1862 -5.7212 3 1624.3103D68  595161404852362 0    842461 0      C-13-H3C(O)CH3
 1011607.5356  0.1862 -5.2730 3 1624.3103D68  595161404852462 0    842461 0      C-13-H3C(O)CH3
 1011668.9312  0.0134 -4.4373 3  500.9599364  595161404452025 3    441926 3      C-13-H3C(O)CH3
 1011669.0013  0.0134 -4.4373 3  500.9599364  595161404452125 3    441826 3      C-13-H3C(O)CH3
 1011669.0083  0.0134 -4.4373 3  500.9598364  595161404452025 4    441926 4      C-13-H3C(O)CH3
 1011669.0779  0.0134 -4.4373 3  500.9598364  595161404452125 4    441826 4      C-13-H3C(O)CH3
 1011695.6488  0.0238 -5.1618 3  457.8675664  595161404412913 1    402614 1      C-13-H3C(O)CH3
 1011732.3622  0.1193 -4.3439 3  945.8320952  595161404593723 1    583622 1      C-13-H3C(O)CH3
 1011741.0670  0.1650 -4.3440 3  945.8318952  595161404593723 2    583622 2      C-13-H3C(O)CH3
 1011862.9970  0.0304 -5.2266 3  457.8700664  595161404412913 2    402614 2      C-13-H3C(O)CH3
 1011923.0763  0.0832 -4.9047 3  570.0828372  595161404463017 3    452718 3      C-13-H3C(O)CH3
 1011933.9716  0.0209 -4.8390 3  457.8834664  595161404412913 0    402614 0      C-13-H3C(O)CH3
 1012115.7783  0.1653 -5.6917 3 1718.6209E96  595161404931579 0    921578 0      C-13-H3C(O)CH3
 1012115.7783  0.1653 -5.3885 3 1718.6209E96  595161404931579 0    921478 0      C-13-H3C(O)CH3
 1012115.7783  0.1653 -5.3885 3 1718.6209E96  595161404931479 0    921578 0      C-13-H3C(O)CH3
 1012115.7783  0.1653 -5.6917 3 1718.6209E96  595161404931479 0    921478 0      C-13-H3C(O)CH3
 1012139.3417  0.1659 -5.4490 3 1718.6389E96  595161404931579 1    921578 1      C-13-H3C(O)CH3
 1012139.3417  0.1659 -5.5909 3 1718.6389E96  595161404931579 1    921478 1      C-13-H3C(O)CH3
 1012139.3417  0.1659 -5.5909 3 1718.6389E96  595161404931479 1    921578 1      C-13-H3C(O)CH3
 1012139.3417  0.1659 -5.4490 3 1718.6389E96  595161404931479 1    921478 1      C-13-H3C(O)CH3
 1012141.4081  0.1730 -5.7892 3 1718.6393E96  595161404931579 2    921578 2      C-13-H3C(O)CH3
 1012141.4081  0.1730 -5.7892 3 1718.6393E96  595161404931479 2    921478 2      C-13-H3C(O)CH3
 1012141.4081  0.1730 -5.3471 3 1718.6393E96  595161404931479 2    921578 2      C-13-H3C(O)CH3
 1012141.4081  0.1730 -5.3471 3 1718.6393E96  595161404931579 2    921478 2      C-13-H3C(O)CH3
 1012165.0012  0.1432 -5.5144 3 1718.6573748  595161404931579 3    921578 3      C-13-H3C(O)CH3
 1012165.0012  0.1432 -5.5144 3 1718.6573748  595161404931479 3    921478 3      C-13-H3C(O)CH3
 1012165.0304  0.1433 -5.5966 3 1718.6573748  595161404931479 4    921478 4      C-13-H3C(O)CH3
 1012165.0304  0.1433 -5.5966 3 1718.6573748  595161404931579 4    921578 4      C-13-H3C(O)CH3
 1012179.9463  0.0213 -5.0973 3  438.0659648  595161404402912 1    392614 1      C-13-H3C(O)CH3
 1012203.1525  0.1067 -4.6485 3  945.8362476  595161404593723 4    583622 4      C-13-H3C(O)CH3
 1012238.6802  2.6456 -5.8805 3 1531.1620C08  595161404754530 2    744629 2      C-13-H3C(O)CH3
 1012304.6840  0.0261 -5.2786 3  438.0453324  595161404402912 4    392614 4      C-13-H3C(O)CH3
 1012364.9716  0.0372 -5.4346 3  457.8518332  595161404412913 3    402614 3      C-13-H3C(O)CH3
 1012372.3227  0.1643 -4.6407 3  945.8338476  595161404593723 3    583622 3      C-13-H3C(O)CH3
 1012395.1322  0.0258 -5.1173 3  457.8675664  595161404412912 1    402614 1      C-13-H3C(O)CH3
 1012429.2369  0.0192 -4.8975 3  438.0850648  595161404402911 0    392614 0      C-13-H3C(O)CH3
 1012438.6317  0.0221 -5.0195 3  438.0684648  595161404402912 2    392614 2      C-13-H3C(O)CH3
 1012500.6686  0.1231 -5.2223 3 1762.2143G08  595161404A0 694 0    99 793 0      C-13-H3C(O)CH3
 1012500.6686  0.1231 -5.2223 3 1762.2143G08  595161404A0 794 0    99 693 0      C-13-H3C(O)CH3
 1012519.4719  0.1483 -5.2917 3 1762.1886G08  595161404A0 694 2    99 693 2      C-13-H3C(O)CH3
 1012519.4719  0.1483 -5.2917 3 1762.1886G08  595161404A0 794 2    99 793 2      C-13-H3C(O)CH3
 1012519.5022  0.1563 -5.8347 3 1762.1887G08  595161404A0 694 1    99 793 1      C-13-H3C(O)CH3
 1012519.5022  0.1563 -5.3368 3 1762.1887G08  595161404A0 694 1    99 693 1      C-13-H3C(O)CH3
 1012519.5022  0.1563 -5.3368 3 1762.1887G08  595161404A0 794 1    99 793 1      C-13-H3C(O)CH3
 1012519.5022  0.1563 -5.8347 3 1762.1887G08  595161404A0 794 1    99 693 1      C-13-H3C(O)CH3
 1012538.3065  0.1037 -5.5180 3 1762.1629804  595161404A0 794 3    99 793 3      C-13-H3C(O)CH3
 1012538.3065  0.1037 -5.5180 3 1762.1629804  595161404A0 694 3    99 693 3      C-13-H3C(O)CH3
 1012538.3167  0.1038 -5.5217 3 1762.1629804  595161404A0 794 4    99 793 4      C-13-H3C(O)CH3
 1012538.3167  0.1038 -5.5217 3 1762.1629804  595161404A0 694 4    99 693 4      C-13-H3C(O)CH3
 1012611.0209  2.0663 -5.8800 3 1531.1486C08  595161404754530 0    744629 0      C-13-H3C(O)CH3
 1012630.7068  0.1508 -5.4691 3 1640.7476692  595161404862264 4    852263 4      C-13-H3C(O)CH3
 1012630.7068  0.1508 -5.4691 3 1640.7476692  595161404862364 4    852363 4      C-13-H3C(O)CH3
 1012630.7085  0.1508 -5.8632 3 1640.7476692  595161404862264 3    852363 3      C-13-H3C(O)CH3
 1012630.7085  0.1508 -5.6762 3 1640.7476692  595161404862264 3    852263 3      C-13-H3C(O)CH3
 1012630.7085  0.1508 -5.8632 3 1640.7476692  595161404862364 3    852263 3      C-13-H3C(O)CH3
 1012630.7085  0.1508 -5.6762 3 1640.7476692  595161404862364 3    852363 3      C-13-H3C(O)CH3
 1012632.7910  0.2004 -5.1617 3 1640.7243D84  595161404862364 1    852263 1      C-13-H3C(O)CH3
 1012632.7910  0.2004 -5.1617 3 1640.7243D84  595161404862264 1    852363 1      C-13-H3C(O)CH3
 1012634.7919  0.0196 -4.0519 3  850.3827436  595161404544312 4    534211 4      C-13-H3C(O)CH3
 1012638.0501  0.2019 -5.1614 3 1640.7267D84  595161404862364 2    852363 2      C-13-H3C(O)CH3
 1012638.0501  0.2019 -5.1614 3 1640.7267D84  595161404862264 2    852263 2      C-13-H3C(O)CH3
 1012640.1399  0.1906 -5.4090 3 1640.7035D84  595161404862364 0    852263 0      C-13-H3C(O)CH3
 1012640.1399  0.1906 -5.5145 3 1640.7035D84  595161404862364 0    852363 0      C-13-H3C(O)CH3
 1012640.1399  0.1906 -5.5145 3 1640.7035D84  595161404862264 0    852263 0      C-13-H3C(O)CH3
 1012640.1399  0.1906 -5.4090 3 1640.7035D84  595161404862264 0    852363 0      C-13-H3C(O)CH3
 1012679.1947  0.0160 -3.7507 3  850.3554872  595161404544312 2    534212 2      C-13-H3C(O)CH3
 1012687.7389  0.0269 -5.3950 3  438.0537324  595161404402912 3    392614 3      C-13-H3C(O)CH3
 1012691.2549  0.0383 -5.4458 3  457.8518332  595161404412912 3    402614 3      C-13-H3C(O)CH3
 1012722.6088  0.0121 -3.7506 3  850.3553872 -595161404544311 1    534211 1      C-13-H3C(O)CH3
 1012745.9722  0.0739 -4.2232 3  916.6528936  595161404583722 0    573621 0      C-13-H3C(O)CH3
 1012765.4805  0.0198 -4.0518 3  850.3760436  595161404544312 3    534212 3      C-13-H3C(O)CH3
 1012766.8835  0.0102 -3.7505 3  850.3279872 -595161404544312 0    534211 0      C-13-H3C(O)CH3
 1012766.8835  0.0102 -3.7505 3  850.3279872 -595161404544311 0    534212 0      C-13-H3C(O)CH3
 1012775.0872  0.0180 -4.0518 3  850.3891436  595161404544311 3    534211 3      C-13-H3C(O)CH3
 1012812.1875  0.0262 -5.3271 3  438.0659648  595161404402911 1    392614 1      C-13-H3C(O)CH3
 1012819.5794  0.0132 -3.7506 3  850.3617872  595161404544311 2    534211 2      C-13-H3C(O)CH3
 1012853.3836  0.0115 -3.7505 3  850.3486872 -595161404544312 1    534212 1      C-13-H3C(O)CH3
 1012886.7416  0.0334 -5.0681 3  457.8700664  595161404412912 2    402614 2      C-13-H3C(O)CH3
 1012889.4611  0.1107 -5.2945 3 1440.0824604  595161404753441 4    743540 4      C-13-H3C(O)CH3
 1012889.4614  0.1107 -5.2945 3 1440.0824604  595161404753541 4    743440 4      C-13-H3C(O)CH3
 1012889.5034  0.1107 -5.2945 3 1440.0824604  595161404753441 3    743540 3      C-13-H3C(O)CH3
 1012889.5037  0.1107 -5.2945 3 1440.0824604  595161404753541 3    743440 3      C-13-H3C(O)CH3
 1012905.4206  0.1211 -4.9934 3 1440.0651C08  595161404753441 1    743540 1      C-13-H3C(O)CH3
 1012905.4208  0.1211 -4.9934 3 1440.0651C08  595161404753541 1    743440 1      C-13-H3C(O)CH3
 1012906.2869  0.0182 -4.0517 3  850.3824436  595161404544311 4    534212 4      C-13-H3C(O)CH3
 1012906.6204  0.1224 -4.9936 3 1440.0680C08  595161404753441 2    743540 2      C-13-H3C(O)CH3
 1012906.6206  0.1224 -4.9936 3 1440.0680C08  595161404753541 2    743440 2      C-13-H3C(O)CH3
 1012918.1793  0.0407 -5.6340 3  438.0537324  595161404402911 3    392614 3      C-13-H3C(O)CH3
 1012922.5204  0.1235 -4.9934 3 1440.0508C08  595161404753441 0    743540 0      C-13-H3C(O)CH3
 1012922.5206  0.1235 -4.9934 3 1440.0508C08  595161404753541 0    743440 0      C-13-H3C(O)CH3
 1012985.2820  0.1055 -5.2802 3 1416.6281596  595161404743539 4    733638 4      C-13-H3C(O)CH3
 1012985.2947  0.1055 -5.2802 3 1416.6281596  595161404743639 4    733538 4      C-13-H3C(O)CH3
 1012985.3247  0.1056 -5.2802 3 1416.6281596  595161404743539 3    733638 3      C-13-H3C(O)CH3
 1012985.3374  0.1056 -5.2802 3 1416.6281596  595161404743639 3    733538 3      C-13-H3C(O)CH3
 1012999.3131  0.1141 -4.9791 3 1416.6113B92  595161404743539 1    733638 1      C-13-H3C(O)CH3
 1012999.3258  0.1141 -4.9791 3 1416.6113B92  595161404743639 1    733538 1      C-13-H3C(O)CH3
 1012999.6946  0.1155 -4.9792 3 1416.6143B92  595161404743539 2    733638 2      C-13-H3C(O)CH3
 1012999.7047  0.1155 -4.9792 3 1416.6143B92  595161404743639 2    733538 2      C-13-H3C(O)CH3
 1013013.6678  0.1166 -4.9791 3 1416.5975B92  595161404743539 0    733638 0      C-13-H3C(O)CH3
 1013013.6778  0.1166 -4.9791 3 1416.5975B92  595161404743639 0    733538 0      C-13-H3C(O)CH3
 1013020.0789  0.0562 -4.2318 3  916.6682936  595161404583722 1    573621 1      C-13-H3C(O)CH3
 1013020.6637  0.0611 -4.2339 3  916.6689936  595161404583722 2    573621 2      C-13-H3C(O)CH3
 1013080.0992  0.1157 -5.3108 3 1462.8753612  595161404763343 4    753442 4      C-13-H3C(O)CH3
 1013080.0992  0.1157 -5.3108 3 1462.8753612  595161404763443 4    753342 4      C-13-H3C(O)CH3
 1013080.1399  0.1157 -5.3108 3 1462.8753612  595161404763443 3    753342 3      C-13-H3C(O)CH3
 1013080.1399  0.1157 -5.3108 3 1462.8753612  595161404763343 3    753442 3      C-13-H3C(O)CH3
 1013088.6408  0.0341 -4.1171 3  888.1799920  595161404573720 0    563621 0      C-13-H3C(O)CH3
 1013093.6881  0.0861 -4.5654 3  916.6874468  595161404583722 4    573621 4      C-13-H3C(O)CH3
 1013097.0902  0.1284 -5.0097 3 1462.8576C24  595161404763443 1    753342 1      C-13-H3C(O)CH3
 1013097.0902  0.1284 -5.0097 3 1462.8576C24  595161404763343 1    753442 1      C-13-H3C(O)CH3
 1013098.9744  0.1294 -5.0103 3 1462.8605C24  595161404763343 2    753442 2      C-13-H3C(O)CH3
 1013098.9744  0.1294 -5.0108 3 1462.8605C24  595161404763443 2    753342 2      C-13-H3C(O)CH3
 1013115.9076  0.1305 -5.0098 3 1462.8428C24  595161404763443 0    753342 0      C-13-H3C(O)CH3
 1013115.9076  0.1305 -5.0098 3 1462.8428C24  595161404763343 0    753442 0      C-13-H3C(O)CH3
 1013265.2951  0.0362 -5.3274 3  457.8560332  595161404412912 4    402614 4      C-13-H3C(O)CH3
 1013295.2154  0.1570 -5.3140 3 1730.1367F12  595161404941481 0    931380 0      C-13-H3C(O)CH3
 1013295.2154  0.1570 -5.3140 3 1730.1367F12  595161404941381 0    931480 0      C-13-H3C(O)CH3
 1013302.0306  0.0416 -5.5103 3  438.0684648  595161404402911 2    392614 2      C-13-H3C(O)CH3
 1013304.4746  0.0215 -4.2479 3  873.1539452  595161404563917 4    553817 4      C-13-H3C(O)CH3
 1013311.9361  0.0167 -3.9468 3  873.1093904 -595161404563917 2    553817 2      C-13-H3C(O)CH3
 1013322.5234  0.1549 -5.2900 3 1730.1523F12  595161404941481 1    931480 1      C-13-H3C(O)CH3
 1013322.5234  0.1549 -5.2900 3 1730.1523F12  595161404941381 1    931380 1      C-13-H3C(O)CH3
 1013324.0275  0.1605 -5.5613 3 1730.1525F12  595161404941381 2    931480 2      C-13-H3C(O)CH3
 1013324.0275  0.1605 -5.4911 3 1730.1525F12  595161404941481 2    931480 2      C-13-H3C(O)CH3
 1013324.0275  0.1605 -5.5613 3 1730.1525F12  595161404941481 2    931380 2      C-13-H3C(O)CH3
 1013324.0275  0.1605 -5.4911 3 1730.1525F12  595161404941381 2    931380 2      C-13-H3C(O)CH3
 1013331.2398  0.0317 -4.4182 3  888.2314460  595161404573720 3    563621 3      C-13-H3C(O)CH3
 1013332.4048  0.0157 -3.9463 3  873.0543904  595161404563918 0    553817 0      C-13-H3C(O)CH3
 1013338.9804  0.0171 -3.9469 3  873.0985904  595161404563917 1    553817 1      C-13-H3C(O)CH3
 1013351.3662  0.1411 -5.6923 3 1730.1681756  595161404941381 3    931480 3      C-13-H3C(O)CH3
 1013351.3662  0.1411 -5.6923 3 1730.1681756  595161404941481 3    931380 3      C-13-H3C(O)CH3
 1013351.3987  0.1411 -5.5954 3 1730.1681756  595161404941481 4    931480 4      C-13-H3C(O)CH3
 1013351.3987  0.1411 -5.5679 3 1730.1681756  595161404941381 4    931380 4      C-13-H3C(O)CH3
 1013364.3844  0.0157 -3.9462 3  873.0535904  595161404563917 0    553818 0      C-13-H3C(O)CH3
 1013412.7619  0.0813 -4.1790 3  888.2017920  595161404573720 1    563621 1      C-13-H3C(O)CH3
 1013474.0857  0.0232 -4.2544 3  873.1343452  595161404563917 3    553817 3      C-13-H3C(O)CH3
 1013474.4124  0.1207 -5.5744 3 1485.0338620  595161404773345 4    763244 4      C-13-H3C(O)CH3
 1013474.4124  0.1207 -5.6924 3 1485.0338620  595161404773245 4    763244 4      C-13-H3C(O)CH3
 1013474.4124  0.1207 -5.5761 3 1485.0338620  595161404773245 4    763344 4      C-13-H3C(O)CH3
 1013474.4124  0.1207 -5.6902 3 1485.0338620  595161404773345 4    763344 4      C-13-H3C(O)CH3
 1013474.4508  0.1207 -5.4052 3 1485.0337620  595161404773245 3    763344 3      C-13-H3C(O)CH3
 1013474.4508  0.1207 -5.3797 3 1485.0337620  595161404773345 3    763244 3      C-13-H3C(O)CH3
 1013483.2217  0.1169 -4.1989 3  888.2031920  595161404573720 2    563621 2      C-13-H3C(O)CH3
 1013488.6896  0.0753 -4.5210 3  916.6820468  595161404583722 3    573621 3      C-13-H3C(O)CH3
 1013491.8162  0.1359 -5.0368 3 1485.0157C40  595161404773345 1    763244 1      C-13-H3C(O)CH3
 1013491.8162  0.1359 -5.0287 3 1485.0157C40  595161404773245 1    763344 1      C-13-H3C(O)CH3
 1013494.2995  0.1366 -5.0721 3 1485.0185C40  595161404773245 2    763244 2      C-13-H3C(O)CH3
 1013494.2995  0.1366 -5.0648 3 1485.0185C40  595161404773345 2    763344 2      C-13-H3C(O)CH3
 1013495.6915  0.0190 -4.1368 3  860.6792444  595161404554115 4    544014 4      C-13-H3C(O)CH3
 1013498.2145  0.0391 -3.5744 3  840.1399824  5951614045150 1 1    5049 1 1      C-13-H3C(O)CH3
 1013502.7424  0.1002 -5.2691 3 1392.4741588  595161404733637 4    723736 4      C-13-H3C(O)CH3
 1013502.7824  0.1002 -5.2691 3 1392.4741588  595161404733637 3    723736 3      C-13-H3C(O)CH3
 1013503.2407  0.1002 -5.2691 3 1392.4741588  595161404733737 4    723636 4      C-13-H3C(O)CH3
 1013503.2821  0.1002 -5.2691 3 1392.4741588  595161404733737 3    723636 3      C-13-H3C(O)CH3
 1013509.5455  0.0157 -3.9464 3  873.0788904  595161404563918 1    553818 1      C-13-H3C(O)CH3
 1013511.4956  0.0238 -4.2542 3  873.1297452  595161404563918 3    553818 3      C-13-H3C(O)CH3
 1013511.6489  0.1376 -5.0273 3 1485.0005C40  595161404773245 0    763244 0      C-13-H3C(O)CH3
 1013511.6489  0.1376 -5.0273 3 1485.0005C40  595161404773345 0    763344 0      C-13-H3C(O)CH3
 1013512.7665  0.1087 -4.9680 3 1392.4610B76  595161404733637 2    723736 2      C-13-H3C(O)CH3
 1013513.1913  0.1087 -4.9680 3 1392.4610B76  595161404733737 2    723636 2      C-13-H3C(O)CH3
 1013513.4234  0.1072 -4.9680 3 1392.4578B76  595161404733637 1    723736 1      C-13-H3C(O)CH3
 1013513.9116  0.1072 -4.9680 3 1392.4578B76  595161404733737 1    723636 1      C-13-H3C(O)CH3
 1013520.1472  0.0169 -3.9461 3  873.0851904  595161404563918 2    553818 2      C-13-H3C(O)CH3
 1013523.3976  0.1098 -4.9679 3 1392.4448B76  595161404733637 0    723736 0      C-13-H3C(O)CH3
 1013523.8125  0.1098 -4.9679 3 1392.4448B76  595161404733737 0    723636 0      C-13-H3C(O)CH3
 1013541.0945  0.0456 -3.8755 3  840.1927412  5951614045150 1 4    5049 1 4      C-13-H3C(O)CH3
 1013542.2783  0.0153 -3.8355 3  860.6446888  595161404554115 2    544014 2      C-13-H3C(O)CH3
 1013561.2273  0.0366 -3.5742 3  840.0739824  5951614045150 2 0    5049 2 0      C-13-H3C(O)CH3
 1013561.2273  0.0366 -3.5742 3  840.0739824  5951614045150 1 0    5049 1 0      C-13-H3C(O)CH3
 1013581.5750  0.0130 -3.8354 3  860.6355888  595161404554114 1    544014 1      C-13-H3C(O)CH3
 1013603.7366  0.0387 -3.5743 3  840.1266824  5951614045150 1 2    5049 1 2      C-13-H3C(O)CH3
 1013628.1461  0.0099 -3.8352 3  860.6010888 -595161404554114 0    544015 0      C-13-H3C(O)CH3
 1013628.1461  0.0099 -3.8352 3  860.6010888 -595161404554115 0    544014 0      C-13-H3C(O)CH3
 1013650.0837  0.0199 -4.1366 3  860.6718444  595161404554115 3    544015 3      C-13-H3C(O)CH3
 1013676.6918  0.0514 -3.8753 3  840.1469412  5951614045150 2 3    5049 2 3      C-13-H3C(O)CH3
 1013680.3616  0.0185 -4.1365 3  860.6757444  595161404554114 3    544014 3      C-13-H3C(O)CH3
 1013681.1733  0.0257 -4.2467 3  873.1101452  595161404563918 4    553818 4      C-13-H3C(O)CH3
 1013690.2735  0.2051 -5.5691 3 1656.5719E00  595161404872166 1    862265 1      C-13-H3C(O)CH3
 1013690.2735  0.2051 -5.3976 3 1656.5719E00  595161404872166 1    862165 1      C-13-H3C(O)CH3
 1013690.2735  0.2051 -5.5691 3 1656.5719E00  595161404872266 1    862165 1      C-13-H3C(O)CH3
 1013690.2735  0.2051 -5.3976 3 1656.5719E00  595161404872266 1    862265 1      C-13-H3C(O)CH3
 1013690.8679  0.1529 -5.5751 3 1656.5955700  595161404872266 3    862265 3      C-13-H3C(O)CH3
 1013690.8679  0.1529 -5.5154 3 1656.5955700  595161404872166 3    862165 3      C-13-H3C(O)CH3
 1013690.8701  0.1529 -5.7622 3 1656.5955700  595161404872166 4    862265 4      C-13-H3C(O)CH3
 1013690.8701  0.1529 -5.7902 3 1656.5955700  595161404872166 4    862165 4      C-13-H3C(O)CH3
 1013690.8701  0.1529 -5.7902 3 1656.5955700  595161404872266 4    862265 4      C-13-H3C(O)CH3
 1013690.8701  0.1529 -5.7622 3 1656.5955700  595161404872266 4    862165 4      C-13-H3C(O)CH3
 1013694.8642  0.1942 -5.2423 3 1656.5506E00  595161404872266 0    862165 0      C-13-H3C(O)CH3
 1013694.8642  0.1942 -5.2423 3 1656.5506E00  595161404872166 0    862265 0      C-13-H3C(O)CH3
 1013695.4489  0.2074 -5.1743 3 1656.5742E00  595161404872266 2    862265 2      C-13-H3C(O)CH3
 1013695.4489  0.2074 -5.1743 3 1656.5742E00  595161404872166 2    862165 2      C-13-H3C(O)CH3
 1013726.8665  0.0146 -3.8352 3  860.6411888  595161404554114 2    544015 2      C-13-H3C(O)CH3
 1013729.3606  0.0454 -3.5742 3  840.1146824  5951614045150 2 1    5049 2 1      C-13-H3C(O)CH3
 1013735.8065  0.0132 -3.8352 3  860.6281888  595161404554115 1    544015 1      C-13-H3C(O)CH3
 1013739.0598  0.0494 -3.5741 3  840.0809824  5951614045150 2 2    5049 2 2      C-13-H3C(O)CH3
 1013772.4839  0.0498 -3.8752 3  840.1673412  5951614045150 1 3    5049 1 3      C-13-H3C(O)CH3
 1013834.9364  0.0211 -4.1363 3  860.6683444  595161404554114 4    544015 4      C-13-H3C(O)CH3
 1013907.3854  0.0669 -3.8750 3  840.1215412  5951614045150 2 4    5049 2 4      C-13-H3C(O)CH3
 1013968.0779  0.0111 -4.6170 3  384.0228340  595161404421230 4    411131 4      C-13-H3C(O)CH3
 1013968.0779  0.0111 -4.6170 3  384.0228340  595161404421330 4    411031 4      C-13-H3C(O)CH3
 1013968.5509  0.0109 -5.2926 3  384.0229340  595161404421330 3    411131 3      C-13-H3C(O)CH3
 1013968.5509  0.0109 -4.7188 3  384.0229340  595161404421230 3    411131 3      C-13-H3C(O)CH3
 1013968.5509  0.0109 -5.2926 3  384.0229340  595161404421230 3    411031 3      C-13-H3C(O)CH3
 1013968.5509  0.0109 -4.7188 3  384.0229340  595161404421330 3    411031 3      C-13-H3C(O)CH3
 1014018.6882  0.1255 -5.4594 3 1506.5777628  595161404783247 4    773146 4      C-13-H3C(O)CH3
 1014018.6882  0.1255 -5.4594 3 1506.5777628  595161404783147 4    773246 4      C-13-H3C(O)CH3
 1014018.7240  0.1255 -5.3499 3 1506.5777628  595161404783147 3    773246 3      C-13-H3C(O)CH3
 1014018.7240  0.1255 -5.3499 3 1506.5777628  595161404783247 3    773146 3      C-13-H3C(O)CH3
 1014036.0438  0.1436 -5.0478 3 1506.5592C56  595161404783147 1    773146 1      C-13-H3C(O)CH3
 1014036.0438  0.1436 -5.0478 3 1506.5592C56  595161404783247 1    773246 1      C-13-H3C(O)CH3
 1014039.0651  0.1440 -5.5810 3 1506.5621C56  595161404783147 2    773146 2      C-13-H3C(O)CH3
 1014039.0651  0.1440 -5.1955 3 1506.5621C56  595161404783247 2    773146 2      C-13-H3C(O)CH3
 1014039.0651  0.1440 -5.5810 3 1506.5621C56  595161404783247 2    773246 2      C-13-H3C(O)CH3
 1014039.0651  0.1440 -5.1955 3 1506.5621C56  595161404783147 2    773246 2      C-13-H3C(O)CH3
 1014052.7100  0.0108 -5.3947 3  384.0482680  595161404421230 2    411031 2      C-13-H3C(O)CH3
 1014052.7100  0.0108 -5.3947 3  384.0482680  595161404421330 2    411131 2      C-13-H3C(O)CH3
 1014052.7100  0.0108 -4.3529 3  384.0482680  595161404421230 2    411131 2      C-13-H3C(O)CH3
 1014052.7100  0.0108 -4.3529 3  384.0482680  595161404421330 2    411031 2      C-13-H3C(O)CH3
 1014056.3704  0.1448 -5.0819 3 1506.5436C56  595161404783147 0    773246 0      C-13-H3C(O)CH3
 1014056.3704  0.1448 -5.0819 3 1506.5436C56  595161404783247 0    773146 0      C-13-H3C(O)CH3
 1014057.2701  0.0109 -4.6524 3  384.0491680  595161404421330 1    411131 1      C-13-H3C(O)CH3
 1014057.2701  0.0109 -4.5827 3  384.0491680  595161404421330 1    411031 1      C-13-H3C(O)CH3
 1014057.2701  0.0109 -4.6524 3  384.0491680  595161404421230 1    411031 1      C-13-H3C(O)CH3
 1014057.2701  0.0109 -4.5827 3  384.0491680  595161404421230 1    411131 1      C-13-H3C(O)CH3
 1014141.3192  0.0091 -4.9243 3  384.0744680  595161404421230 0    411031 0      C-13-H3C(O)CH3
 1014141.3192  0.0091 -4.4378 3  384.0744680  595161404421230 0    411131 0      C-13-H3C(O)CH3
 1014141.3192  0.0091 -4.4378 3  384.0744680  595161404421330 0    411031 0      C-13-H3C(O)CH3
 1014141.3192  0.0091 -4.9243 3  384.0744680  595161404421330 0    411131 0      C-13-H3C(O)CH3
 1014193.2167  0.2318 -4.6524 3  888.2193460  595161404573720 4    563621 4      C-13-H3C(O)CH3
 1014488.9848  0.1487 -5.2740 3 1741.1228F28  595161404951383 0    941282 0      C-13-H3C(O)CH3
 1014488.9848  0.1487 -5.2740 3 1741.1228F28  595161404951283 0    941382 0      C-13-H3C(O)CH3
 1014491.7978  0.0270 -4.2010 3  636.3757792  595161404492921 0    482622 0      C-13-H3C(O)CH3
 1014519.5246  0.1453 -5.2336 3 1741.1353F28  595161404951283 1    941382 1      C-13-H3C(O)CH3
 1014519.5246  0.1453 -5.2336 3 1741.1353F28  595161404951383 1    941282 1      C-13-H3C(O)CH3
 1014520.5044  0.1482 -5.3163 3 1741.1353F28  595161404951283 2    941382 2      C-13-H3C(O)CH3
 1014520.5044  0.1482 -5.3163 3 1741.1353F28  595161404951383 2    941282 2      C-13-H3C(O)CH3
 1014551.0744  0.1385 -5.5350 3 1741.1478764  595161404951383 3    941382 3      C-13-H3C(O)CH3
 1014551.0744  0.1385 -5.5350 3 1741.1478764  595161404951283 3    941282 3      C-13-H3C(O)CH3
 1014551.1100  0.1385 -5.6624 3 1741.1477764  595161404951283 4    941282 4      C-13-H3C(O)CH3
 1014551.1100  0.1385 -5.6624 3 1741.1477764  595161404951383 4    941382 4      C-13-H3C(O)CH3
 1014633.3706  0.0273 -4.2010 3  636.3628792  595161404492921 1    482622 1      C-13-H3C(O)CH3
 1014635.5422  0.0916 -5.8565 3  570.1057744  595161404463016 2    452718 2      C-13-H3C(O)CH3
 1014653.9447  0.0252 -4.2013 3  636.3593792  595161404492921 2    482622 2      C-13-H3C(O)CH3
 1014676.1859  0.0945 -5.2631 3 1367.5630580  595161404723735 4    713834 4      C-13-H3C(O)CH3
 1014676.2077  0.0946 -5.2631 3 1367.5630580  595161404723735 3    713834 3      C-13-H3C(O)CH3
 1014676.5321  0.1303 -5.7249 3 1527.5222636  595161404793049 4    783148 4      C-13-H3C(O)CH3
 1014676.5321  0.1303 -5.6155 3 1527.5222636  595161404793149 4    783148 4      C-13-H3C(O)CH3
 1014676.5321  0.1303 -5.7249 3 1527.5222636  595161404793149 4    783048 4      C-13-H3C(O)CH3
 1014676.5321  0.1303 -5.6155 3 1527.5222636  595161404793049 4    783048 4      C-13-H3C(O)CH3
 1014676.5649  0.1303 -5.4470 3 1527.5222636  595161404793149 3    783048 3      C-13-H3C(O)CH3
 1014676.5649  0.1303 -5.4995 3 1527.5222636  595161404793049 3    783148 3      C-13-H3C(O)CH3
 1014679.4285  0.1016 -4.9620 3 1367.5511B60  595161404723735 2    713834 2      C-13-H3C(O)CH3
 1014681.1409  0.1002 -4.9620 3 1367.5475B60  595161404723735 1    713834 1      C-13-H3C(O)CH3
 1014684.3515  0.1029 -4.9619 3 1367.5357B60  595161404723735 0    713834 0      C-13-H3C(O)CH3
 1014691.9483  0.0937 -5.2631 3 1367.5626580  595161404723835 4    713734 4      C-13-H3C(O)CH3
 1014691.9927  0.0937 -5.2631 3 1367.5626580  595161404723835 3    713734 3      C-13-H3C(O)CH3
 1014693.4724  0.1515 -5.2156 3 1527.5033C72  595161404793149 1    783048 1      C-13-H3C(O)CH3
 1014693.4724  0.1515 -5.5969 3 1527.5033C72  595161404793049 1    783048 1      C-13-H3C(O)CH3
 1014693.4724  0.1515 -5.5969 3 1527.5033C72  595161404793149 1    783148 1      C-13-H3C(O)CH3
 1014693.4724  0.1515 -5.2156 3 1527.5033C72  595161404793049 1    783148 1      C-13-H3C(O)CH3
 1014693.5838  0.1012 -4.9620 3 1367.5507B60  595161404723835 2    713734 2      C-13-H3C(O)CH3
 1014696.4936  0.1004 -4.9620 3 1367.5471B60  595161404723835 1    713734 1      C-13-H3C(O)CH3
 1014696.9820  0.1516 -5.1377 3 1527.5061C72  595161404793049 2    783148 2      C-13-H3C(O)CH3
 1014696.9820  0.1516 -5.1377 3 1527.5061C72  595161404793149 2    783048 2      C-13-H3C(O)CH3
 1014696.9820  0.1516 -5.8750 3 1527.5061C72  595161404793149 2    783148 2      C-13-H3C(O)CH3
 1014696.9820  0.1516 -5.8750 3 1527.5061C72  595161404793049 2    783048 2      C-13-H3C(O)CH3
 1014698.1118  0.1035 -4.9619 3 1367.5353B60  595161404723835 0    713734 0      C-13-H3C(O)CH3
 1014713.8768  0.1519 -5.3782 3 1527.4872C72  595161404793149 0    783048 0      C-13-H3C(O)CH3
 1014713.8768  0.1519 -5.3606 3 1527.4872C72  595161404793049 0    783048 0      C-13-H3C(O)CH3
 1014713.8768  0.1519 -5.3708 3 1527.4872C72  595161404793049 0    783148 0      C-13-H3C(O)CH3
 1014713.8768  0.1519 -5.3535 3 1527.4872C72  595161404793149 0    783148 0      C-13-H3C(O)CH3
 1014760.0387  0.0189 -4.1592 3  602.5269776  595161404482622 0    472523 0      C-13-H3C(O)CH3
 1014767.9267  0.2083 -5.1923 3 1671.8760E16  595161404882168 1    872067 1      C-13-H3C(O)CH3
 1014767.9267  0.2083 -5.1923 3 1671.8760E16  595161404882068 1    872167 1      C-13-H3C(O)CH3
 1014769.4250  0.1966 -5.6151 3 1671.8543E16  595161404882068 0    872067 0      C-13-H3C(O)CH3
 1014769.4250  0.1966 -5.6151 3 1671.8543E16  595161404882168 0    872167 0      C-13-H3C(O)CH3
 1014769.4250  0.1966 -5.3941 3 1671.8543E16  595161404882168 0    872067 0      C-13-H3C(O)CH3
 1014769.4250  0.1966 -5.3941 3 1671.8543E16  595161404882068 0    872167 0      C-13-H3C(O)CH3
 1014771.4413  0.1546 -5.5260 3 1671.8998708  595161404882168 3    872067 3      C-13-H3C(O)CH3
 1014771.4413  0.1546 -5.5260 3 1671.8998708  595161404882068 3    872167 3      C-13-H3C(O)CH3
 1014771.4473  0.1546 -5.5222 3 1671.8999708  595161404882068 4    872067 4      C-13-H3C(O)CH3
 1014771.4473  0.1546 -5.5222 3 1671.8999708  595161404882168 4    872167 4      C-13-H3C(O)CH3
 1014772.9272  0.2117 -5.5773 3 1671.8781E16  595161404882168 2    872167 2      C-13-H3C(O)CH3
 1014772.9272  0.2117 -5.5773 3 1671.8781E16  595161404882068 2    872067 2      C-13-H3C(O)CH3
 1014772.9272  0.2117 -5.4185 3 1671.8781E16  595161404882168 2    872067 2      C-13-H3C(O)CH3
 1014772.9272  0.2117 -5.4185 3 1671.8781E16  595161404882068 2    872167 2      C-13-H3C(O)CH3
 1014773.4738  0.0324 -4.1590 3  602.5101776  595161404482622 2    472523 2      C-13-H3C(O)CH3
 1014792.8473  0.0241 -4.5024 3  636.3464396  595161404492921 4    482622 4      C-13-H3C(O)CH3
 1014802.6593  0.0236 -4.5024 3  636.3464396  595161404492921 3    482622 3      C-13-H3C(O)CH3
 1014804.6108  0.0187 -4.1589 3  602.5126776  595161404482622 1    472523 1      C-13-H3C(O)CH3
 1014817.0069  0.0336 -4.4598 3  602.4958388  595161404482622 3    472523 3      C-13-H3C(O)CH3
 1014818.3294  0.0340 -4.4598 3  602.4957388  595161404482622 4    472523 4      C-13-H3C(O)CH3
 1014869.6267  0.0123 -5.8557 3  287.0480552  595161404341816 2    331519 2      C-13-H3C(O)CH3
 1014982.5219  0.0109 -5.8558 3  287.0721552  595161404341816 0    331519 0      C-13-H3C(O)CH3
 1014990.5618  0.0121 -5.8541 3  287.0508552  595161404341816 1    331519 1      C-13-H3C(O)CH3
 1015085.2298  0.0106 -4.1323 3  534.7494744  595161404462224 0    452125 0      C-13-H3C(O)CH3
 1015087.4857  0.0106 -4.1323 3  534.7494744  595161404462324 0    452025 0      C-13-H3C(O)CH3
 1015106.8032  0.0803 -4.5082 3  882.8217460  595161404573621 3    563522 3      C-13-H3C(O)CH3
 1015181.3119  0.0151 -4.1320 3  534.7266744  595161404462224 2    452125 2      C-13-H3C(O)CH3
 1015183.5092  0.0648 -4.2110 3  882.7899920  595161404573621 0    563522 0      C-13-H3C(O)CH3
 1015183.7640  0.0151 -4.1320 3  534.7266744  595161404462324 2    452025 2      C-13-H3C(O)CH3
 1015188.9185  0.0111 -4.1320 3  534.7284744  595161404462224 1    452125 1      C-13-H3C(O)CH3
 1015191.3113  0.0111 -4.1320 3  534.7284744  595161404462324 1    452025 1      C-13-H3C(O)CH3
 1015204.6367  0.0656 -4.2127 3  882.8047920  595161404573621 1    563522 1      C-13-H3C(O)CH3
 1015209.6931  0.0656 -4.2134 3  882.8052920  595161404573621 2    563522 2      C-13-H3C(O)CH3
 1015285.1889  0.0163 -4.4327 3  534.7055372  595161404462224 3    452125 3      C-13-H3C(O)CH3
 1015285.3537  0.0165 -4.4327 3  534.7055372  595161404462224 4    452125 4      C-13-H3C(O)CH3
 1015287.7909  0.0163 -4.4327 3  534.7055372  595161404462324 3    452025 3      C-13-H3C(O)CH3
 1015287.9443  0.0164 -4.4327 3  534.7055372  595161404462324 4    452025 4      C-13-H3C(O)CH3
 1015365.9607  0.0767 -4.5242 3  882.8184460  595161404573621 4    563522 4      C-13-H3C(O)CH3
 1015422.4521  0.1349 -5.6303 3 1547.8790644  595161404803051 4    793050 4      C-13-H3C(O)CH3
 1015422.4521  0.1349 -5.6303 3 1547.8790644  595161404802951 4    792950 4      C-13-H3C(O)CH3
 1015422.4521  0.1349 -5.7499 3 1547.8790644  595161404802951 4    793050 4      C-13-H3C(O)CH3
 1015422.4521  0.1349 -5.7499 3 1547.8790644  595161404803051 4    792950 4      C-13-H3C(O)CH3
 1015422.4818  0.1349 -5.4307 3 1547.8789644  595161404803051 3    792950 3      C-13-H3C(O)CH3
 1015422.4818  0.1349 -5.4307 3 1547.8789644  595161404802951 3    793050 3      C-13-H3C(O)CH3
 1015438.6676  0.1595 -5.8390 3 1547.8596C88  595161404802951 1    793050 1      C-13-H3C(O)CH3
 1015438.6676  0.1595 -5.1678 3 1547.8596C88  595161404802951 1    792950 1      C-13-H3C(O)CH3
 1015438.6676  0.1595 -5.8390 3 1547.8596C88  595161404803051 1    792950 1      C-13-H3C(O)CH3
 1015438.6676  0.1595 -5.1678 3 1547.8596C88  595161404803051 1    793050 1      C-13-H3C(O)CH3
 1015442.6203  0.1593 -5.2804 3 1547.8624C88  595161404803051 2    792950 2      C-13-H3C(O)CH3
 1015442.6203  0.1593 -5.5227 3 1547.8624C88  595161404803051 2    793050 2      C-13-H3C(O)CH3
 1015442.6203  0.1593 -5.2804 3 1547.8624C88  595161404802951 2    793050 2      C-13-H3C(O)CH3
 1015442.6203  0.1593 -5.5227 3 1547.8624C88  595161404802951 2    792950 2      C-13-H3C(O)CH3
 1015458.7953  0.1590 -5.2814 3 1547.8431C88  595161404802951 0    792950 0      C-13-H3C(O)CH3
 1015458.7953  0.1590 -5.5209 3 1547.8431C88  595161404803051 0    792950 0      C-13-H3C(O)CH3
 1015458.7953  0.1590 -5.2814 3 1547.8431C88  595161404803051 0    793050 0      C-13-H3C(O)CH3
 1015458.7953  0.1590 -5.5209 3 1547.8431C88  595161404802951 0    793050 0      C-13-H3C(O)CH3
 1015523.4138  0.0221 -3.6210 3  844.6542840  5951614045248 4 1    5147 4 1      C-13-H3C(O)CH3
 1015531.0307  0.0277 -3.9221 3  844.6798420  5951614045248 4 4    5147 4 4      C-13-H3C(O)CH3
 1015546.4378  0.1015 -5.8050 3  570.0832372  595161404463016 4    452718 4      C-13-H3C(O)CH3
 1015551.6585  0.0208 -3.6210 3  844.6071840  5951614045248 4 0    5147 4 0      C-13-H3C(O)CH3
 1015551.6585  0.0208 -3.6210 3  844.6071840  5951614045248 5 0    5147 5 0      C-13-H3C(O)CH3
 1015558.7343  0.0224 -3.6210 3  844.6329840  5951614045248 4 2    5147 4 2      C-13-H3C(O)CH3
 1015618.0954  0.0307 -3.9220 3  844.6575420  5951614045248 4 3    5147 4 3      C-13-H3C(O)CH3
 1015646.2117  0.0267 -3.6209 3  844.6105840  5951614045248 5 2    5147 5 2      C-13-H3C(O)CH3
 1015689.5911  0.0254 -3.6209 3  844.6292840  5951614045248 5 1    5147 5 1      C-13-H3C(O)CH3
 1015696.7208  0.0304 -3.9219 3  844.6548420  5951614045248 5 3    5147 5 3      C-13-H3C(O)CH3
 1015697.4026  0.1415 -5.3186 3 1751.5808F44  595161404961285 0    951184 0      C-13-H3C(O)CH3
 1015697.4026  0.1415 -5.3186 3 1751.5808F44  595161404961185 0    951284 0      C-13-H3C(O)CH3
 1015730.3584  0.1398 -5.3249 3 1751.5892F44  595161404961185 1    951284 1      C-13-H3C(O)CH3
 1015730.3584  0.1398 -5.3249 3 1751.5892F44  595161404961285 1    951184 1      C-13-H3C(O)CH3
 1015730.8853  0.1388 -5.4762 3 1751.5891F44  595161404961185 2    951184 2      C-13-H3C(O)CH3
 1015730.8853  0.1388 -5.4762 3 1751.5891F44  595161404961285 2    951284 2      C-13-H3C(O)CH3
 1015730.8853  0.1388 -5.6231 3 1751.5891F44  595161404961185 2    951284 2      C-13-H3C(O)CH3
 1015730.8853  0.1388 -5.6231 3 1751.5891F44  595161404961285 2    951184 2      C-13-H3C(O)CH3
 1015763.8690  0.1356 -5.7783 3 1751.5975772  595161404961185 3    951184 3      C-13-H3C(O)CH3
 1015763.8690  0.1356 -5.9228 3 1751.5975772  595161404961285 3    951184 3      C-13-H3C(O)CH3
 1015763.8690  0.1356 -5.7783 3 1751.5975772  595161404961285 3    951284 3      C-13-H3C(O)CH3
 1015763.8690  0.1356 -5.9228 3 1751.5975772  595161404961185 3    951284 3      C-13-H3C(O)CH3
 1015763.9072  0.1357 -5.5572 3 1751.5975772  595161404961285 4    951284 4      C-13-H3C(O)CH3
 1015763.9072  0.1357 -5.5572 3 1751.5975772  595161404961185 4    951184 4      C-13-H3C(O)CH3
 1015771.4772  0.0175 -4.7180 3  494.5135696  595161404432815 0    422518 0      C-13-H3C(O)CH3
 1015783.6723  0.0384 -3.9219 3  844.6325420  5951614045248 5 4    5147 5 4      C-13-H3C(O)CH3
 1015798.2821  0.0131 -5.3232 3  341.2857332  595161404411032 4    40 733 4      C-13-H3C(O)CH3
 1015798.2821  0.0131 -4.9241 3  341.2857332  595161404411032 4    40 833 4      C-13-H3C(O)CH3
 1015798.2821  0.0131 -5.3232 3  341.2857332  59516140441 932 4    40 833 4      C-13-H3C(O)CH3
 1015798.2821  0.0131 -4.9241 3  341.2857332  59516140441 932 4    40 733 4      C-13-H3C(O)CH3
 1015798.9343  0.0124 -5.8535 3  341.2857332  59516140441 932 3    40 733 3      C-13-H3C(O)CH3
 1015798.9343  0.0124 -4.8164 3  341.2857332  59516140441 932 3    40 833 3      C-13-H3C(O)CH3
 1015798.9343  0.0124 -4.8164 3  341.2857332  595161404411032 3    40 733 3      C-13-H3C(O)CH3
 1015798.9343  0.0124 -5.8535 3  341.2857332  595161404411032 3    40 833 3      C-13-H3C(O)CH3
 1015862.0533  0.1978 -5.2211 3 1686.6169E32  595161404891970 0    881969 0      C-13-H3C(O)CH3
 1015862.0533  0.1978 -5.2211 3 1686.6169E32  595161404892070 0    882069 0      C-13-H3C(O)CH3
 1015863.9741  0.2096 -5.2230 3 1686.6389E32  595161404891970 1    882069 1      C-13-H3C(O)CH3
 1015863.9741  0.2096 -5.2230 3 1686.6389E32  595161404892070 1    881969 1      C-13-H3C(O)CH3
 1015868.7065  0.2142 -5.2048 3 1686.6408E32  595161404892070 2    882069 2      C-13-H3C(O)CH3
 1015868.7065  0.2142 -5.2048 3 1686.6408E32  595161404891970 2    881969 2      C-13-H3C(O)CH3
 1015870.6425  0.1559 -5.5152 3 1686.6627716  595161404891970 3    881969 3      C-13-H3C(O)CH3
 1015870.6425  0.1559 -5.5152 3 1686.6627716  595161404892070 3    882069 3      C-13-H3C(O)CH3
 1015870.6522  0.1559 -5.9086 3 1686.6628716  595161404891970 4    882069 4      C-13-H3C(O)CH3
 1015870.6522  0.1559 -5.7245 3 1686.6628716  595161404892070 4    882069 4      C-13-H3C(O)CH3
 1015870.6522  0.1559 -5.9086 3 1686.6628716  595161404892070 4    881969 4      C-13-H3C(O)CH3
 1015870.6522  0.1559 -5.7245 3 1686.6628716  595161404891970 4    881969 4      C-13-H3C(O)CH3
 1015951.2832  0.0172 -4.1585 3  602.5249776  595161404482722 0    472423 0      C-13-H3C(O)CH3
 1016020.8148  0.0259 -4.1584 3  602.5080776  595161404482722 2    472423 2      C-13-H3C(O)CH3
 1016034.2580  0.0181 -4.1583 3  602.5105776  595161404482722 1    472423 1      C-13-H3C(O)CH3
 1016053.1591  0.0116 -4.5324 3  341.3004664  59516140441 932 2    40 733 2      C-13-H3C(O)CH3
 1016053.1591  0.0116 -5.3988 3  341.3004664  59516140441 932 2    40 833 2      C-13-H3C(O)CH3
 1016053.1591  0.0116 -5.3988 3  341.3004664  595161404411032 2    40 733 2      C-13-H3C(O)CH3
 1016053.1591  0.0116 -4.5324 3  341.3004664  595161404411032 2    40 833 2      C-13-H3C(O)CH3
 1016057.1551  0.0119 -4.8872 3  341.3011664  59516140441 932 1    40 733 1      C-13-H3C(O)CH3
 1016057.1551  0.0119 -4.6910 3  341.3011664  59516140441 932 1    40 833 1      C-13-H3C(O)CH3
 1016057.1551  0.0119 -4.8872 3  341.3011664  595161404411032 1    40 833 1      C-13-H3C(O)CH3
 1016057.1551  0.0119 -4.6910 3  341.3011664  595161404411032 1    40 733 1      C-13-H3C(O)CH3
 1016058.2736  0.0190 -4.7224 3  494.4952696  595161404432815 1    422518 1      C-13-H3C(O)CH3
 1016103.9797  0.0276 -4.4592 3  602.4935388  595161404482722 4    472423 4      C-13-H3C(O)CH3
 1016104.9158  0.0272 -4.4592 3  602.4935388  595161404482722 3    472423 3      C-13-H3C(O)CH3
 1016238.1218  0.1393 -5.5358 3 1567.6574652  595161404812853 4    802852 4      C-13-H3C(O)CH3
 1016238.1218  0.1393 -5.5358 3 1567.6574652  595161404812953 4    802952 4      C-13-H3C(O)CH3
 1016238.1481  0.1393 -5.4883 3 1567.6573652  595161404812953 3    802952 3      C-13-H3C(O)CH3
 1016238.1481  0.1393 -5.4883 3 1567.6573652  595161404812853 3    802852 3      C-13-H3C(O)CH3
 1016253.3375  0.1676 -5.4495 3 1567.6374D04  595161404812853 1    802852 1      C-13-H3C(O)CH3
 1016253.3375  0.1676 -5.3630 3 1567.6374D04  595161404812853 1    802952 1      C-13-H3C(O)CH3
 1016253.3375  0.1676 -5.4495 3 1567.6374D04  595161404812953 1    802952 1      C-13-H3C(O)CH3
 1016253.3375  0.1676 -5.3630 3 1567.6374D04  595161404812953 1    802852 1      C-13-H3C(O)CH3
 1016257.6886  0.1672 -5.1167 3 1567.6404D04  595161404812953 2    802852 2      C-13-H3C(O)CH3
 1016257.6886  0.1672 -5.1167 3 1567.6404D04  595161404812853 2    802952 2      C-13-H3C(O)CH3
 1016272.8693  0.1660 -5.1069 3 1567.6205D04  595161404812853 0    802952 0      C-13-H3C(O)CH3
 1016272.8693  0.1660 -5.1069 3 1567.6205D04  595161404812953 0    802852 0      C-13-H3C(O)CH3
 1016310.9652  0.0108 -4.4769 3  341.3157664  595161404411032 0    40 833 0      C-13-H3C(O)CH3
 1016310.9652  0.0108 -4.4799 3  341.3157664  59516140441 932 0    40 733 0      C-13-H3C(O)CH3
 1016335.0746  0.0143 -5.4345 3  354.5348600  595161404372315 0    361818 0      C-13-H3C(O)CH3
 1016342.1227  0.0117 -5.8552 3  287.0480552  595161404341916 2    331419 2      C-13-H3C(O)CH3
 1016357.9517  0.0242 -4.7311 3  494.4905696  595161404432815 2    422518 2      C-13-H3C(O)CH3
 1016425.6988  0.0116 -5.8536 3  287.0508552  595161404341916 1    331419 1      C-13-H3C(O)CH3
 1016427.5449  0.0107 -5.8554 3  287.0721552  595161404341916 0    331419 0      C-13-H3C(O)CH3
 1016436.6135  0.0141 -5.4332 3  354.5109600  595161404372315 1    361818 1      C-13-H3C(O)CH3
 1016477.9558  0.0142 -5.4344 3  354.5063600  595161404372315 2    361818 2      C-13-H3C(O)CH3
 1016491.0398  0.0189 -5.0202 3  494.4722348  595161404432815 3    422518 3      C-13-H3C(O)CH3
 1016503.6629  0.0219 -5.5491 3  387.5324300  5951614043730 8 3    3627 9 3      C-13-H3C(O)CH3
 1016513.2328  0.0225 -5.5517 3  387.5181300  5951614043730 8 4    362710 4      C-13-H3C(O)CH3
 1016572.9867  0.0138 -5.7339 3  354.4824300  595161404372315 4    361818 4      C-13-H3C(O)CH3
 1016581.8126  0.0137 -5.7338 3  354.4824300  595161404372315 3    361818 3      C-13-H3C(O)CH3
 1016603.8325  0.0192 -5.2512 3  387.5404600  5951614043730 8 1    362710 1      C-13-H3C(O)CH3
 1016768.7606  0.0196 -5.2508 3  387.5674600  5951614043730 7 2    3627 9 2      C-13-H3C(O)CH3
 1016771.6267  0.0131 -4.1390 3  568.6091760  595161404472423 0    462324 0      C-13-H3C(O)CH3
 1016781.2820  0.0187 -5.2534 3  387.5532600  5951614043730 8 2    362710 2      C-13-H3C(O)CH3
 1016781.7104  0.0312 -5.0495 3  494.4719348  595161404432815 4    422518 4      C-13-H3C(O)CH3
 1016829.9027  0.0931 -4.9653 3 1341.7900B44  595161404713833 1    703932 1      C-13-H3C(O)CH3
 1016830.6839  0.0943 -4.9651 3 1341.7799B44  595161404713833 0    703932 0      C-13-H3C(O)CH3
 1016831.7903  0.0928 -5.2664 3 1341.8041572  595161404713833 3    703932 3      C-13-H3C(O)CH3
 1016831.9084  0.0924 -5.2664 3 1341.8042572  595161404713833 4    703932 4      C-13-H3C(O)CH3
 1016832.7812  0.0967 -4.9652 3 1341.7940B44  595161404713833 2    703932 2      C-13-H3C(O)CH3
 1016834.0423  0.0130 -4.1390 3  568.6090760  595161404472523 0    462224 0      C-13-H3C(O)CH3
 1016852.4701  0.0203 -4.1388 3  568.5895760  595161404472423 2    462324 2      C-13-H3C(O)CH3
 1016864.8702  0.0134 -4.1387 3  568.5915760  595161404472423 1    462324 1      C-13-H3C(O)CH3
 1016872.4863  0.0189 -5.2538 3  387.5752600  5951614043730 8 0    3627 9 0      C-13-H3C(O)CH3
 1016874.7874  0.0189 -5.2538 3  387.5751600  5951614043730 7 0    362710 0      C-13-H3C(O)CH3
 1016902.1931  0.0193 -5.0585 3  297.9016324  59516140440 634 4    39 535 4      C-13-H3C(O)CH3
 1016902.1931  0.0193 -5.0585 3  297.9016324  59516140440 734 4    39 435 4      C-13-H3C(O)CH3
 1016902.7264  0.0179 -5.0588 3  297.9015324  59516140440 734 3    39 435 3      C-13-H3C(O)CH3
 1016902.7264  0.0179 -5.0943 3  297.9015324  59516140440 734 3    39 535 3      C-13-H3C(O)CH3
 1016904.9776  0.0253 -5.5489 3  387.5414300  5951614043730 7 4    3627 9 4      C-13-H3C(O)CH3
 1016917.4112  0.2600 -5.6198 3  894.0930460  595161404573820 4    563719 4      C-13-H3C(O)CH3
 1016917.7878  0.0223 -5.5515 3  387.5272300  5951614043730 7 3    362710 3      C-13-H3C(O)CH3
 1016918.9211  0.0199 -4.1387 3  568.5894760  595161404472523 2    462224 2      C-13-H3C(O)CH3
 1016920.9559  0.1368 -5.3178 3 1761.5119F60  595161404971087 0    961186 0      C-13-H3C(O)CH3
 1016920.9559  0.1368 -5.3178 3 1761.5119F60  595161404971187 0    961086 0      C-13-H3C(O)CH3
 1016930.0636  0.0134 -4.1387 3  568.5915760  595161404472523 1    462224 1      C-13-H3C(O)CH3
 1016945.7863  0.0215 -4.4395 3  568.5719380  595161404472423 3    462324 3      C-13-H3C(O)CH3
 1016946.0894  0.0218 -4.4395 3  568.5718380  595161404472423 4    462324 4      C-13-H3C(O)CH3
 1016955.1535  0.1407 -5.2562 3 1761.5153F60  595161404971187 1    961086 1      C-13-H3C(O)CH3
 1016955.1535  0.1407 -5.2562 3 1761.5153F60  595161404971087 1    961186 1      C-13-H3C(O)CH3
 1016955.3294  0.1351 -5.4768 3 1761.5150F60  595161404971087 2    961186 2      C-13-H3C(O)CH3
 1016955.3294  0.1351 -5.6421 3 1761.5150F60  595161404971187 2    961186 2      C-13-H3C(O)CH3
 1016955.3294  0.1351 -5.4768 3 1761.5150F60  595161404971187 2    961086 2      C-13-H3C(O)CH3
 1016955.3294  0.1351 -5.6421 3 1761.5150F60  595161404971087 2    961086 2      C-13-H3C(O)CH3
 1016971.3955  0.1974 -5.2794 3 1700.8405E48  595161404901972 0    891971 0      C-13-H3C(O)CH3
 1016971.3955  0.1974 -5.8575 3 1700.8405E48  595161404901872 0    891971 0      C-13-H3C(O)CH3
 1016971.3955  0.1974 -5.3327 3 1700.8405E48  595161404901872 0    891871 0      C-13-H3C(O)CH3
 1016977.0402  0.2087 -5.8774 3 1700.8625E48  595161404901872 1    891971 1      C-13-H3C(O)CH3
 1016977.0402  0.2087 -5.3270 3 1700.8625E48  595161404901872 1    891871 1      C-13-H3C(O)CH3
 1016977.0402  0.2087 -5.3270 3 1700.8625E48  595161404901972 1    891971 1      C-13-H3C(O)CH3
 1016977.0402  0.2087 -5.8774 3 1700.8625E48  595161404901972 1    891871 1      C-13-H3C(O)CH3
 1016981.4137  0.2145 -5.3030 3 1700.8642E48  595161404901872 2    891971 2      C-13-H3C(O)CH3
 1016981.4137  0.2145 -5.3030 3 1700.8642E48  595161404901972 2    891871 2      C-13-H3C(O)CH3
 1016987.0766  0.1567 -5.6447 3 1700.8862724  595161404901972 3    891971 3      C-13-H3C(O)CH3
 1016987.0766  0.1567 -5.6447 3 1700.8862724  595161404901872 3    891871 3      C-13-H3C(O)CH3
 1016987.0900  0.1567 -5.5727 3 1700.8862724  595161404901872 4    891871 4      C-13-H3C(O)CH3
 1016987.0900  0.1567 -5.5727 3 1700.8862724  595161404901972 4    891971 4      C-13-H3C(O)CH3
 1016989.5502  0.1325 -5.5547 3 1761.5184780  595161404971087 3    961086 3      C-13-H3C(O)CH3
 1016989.5502  0.1325 -5.5547 3 1761.5184780  595161404971187 3    961186 3      C-13-H3C(O)CH3
 1016989.5902  0.1325 -5.5544 3 1761.5184780  595161404971187 4    961186 4      C-13-H3C(O)CH3
 1016989.5902  0.1325 -5.5544 3 1761.5184780  595161404971087 4    961086 4      C-13-H3C(O)CH3
 1017005.3667  0.0201 -5.2510 3  387.5494600  5951614043730 7 1    3627 9 1      C-13-H3C(O)CH3
 1017015.2186  0.0211 -4.4394 3  568.5718380  595161404472523 3    462224 3      C-13-H3C(O)CH3
 1017015.3301  0.0213 -4.4394 3  568.5718380  595161404472523 4    462224 4      C-13-H3C(O)CH3
 1017110.0882  0.1434 -5.4342 3 1586.8649660  595161404822755 4    812754 4      C-13-H3C(O)CH3
 1017110.0882  0.1434 -5.4342 3 1586.8649660  595161404822855 4    812854 4      C-13-H3C(O)CH3
 1017110.1110  0.1435 -5.4244 3 1586.8649660  595161404822755 3    812754 3      C-13-H3C(O)CH3
 1017110.1110  0.1435 -5.4244 3 1586.8649660  595161404822855 3    812854 3      C-13-H3C(O)CH3
 1017124.0493  0.1757 -5.1441 3 1586.8445D20  595161404822855 1    812754 1      C-13-H3C(O)CH3
 1017124.0493  0.1757 -5.1441 3 1586.8445D20  595161404822755 1    812854 1      C-13-H3C(O)CH3
 1017128.7514  0.1753 -5.1700 3 1586.8474D20  595161404822855 2    812754 2      C-13-H3C(O)CH3
 1017128.7514  0.1753 -5.1700 3 1586.8474D20  595161404822755 2    812854 2      C-13-H3C(O)CH3
 1017130.2751  0.0216 -5.1162 3  457.6862664  595161404412913 1    402615 1      C-13-H3C(O)CH3
 1017142.6832  0.1729 -5.1737 3 1586.8270D20  595161404822855 0    812854 0      C-13-H3C(O)CH3
 1017142.6832  0.1729 -5.1737 3 1586.8270D20  595161404822755 0    812754 0      C-13-H3C(O)CH3
 1017162.9525  0.0277 -5.3281 3  457.6685332  595161404412913 4    402615 4      C-13-H3C(O)CH3
 1017180.2935  0.1028 -4.9648 3 1341.7711B44  595161404713933 0    703832 0      C-13-H3C(O)CH3
 1017191.6945  0.0929 -4.9649 3 1341.7849B44  595161404713933 2    703832 2      C-13-H3C(O)CH3
 1017205.6661  0.0960 -4.9649 3 1341.7805B44  595161404713933 1    703832 1      C-13-H3C(O)CH3
 1017217.2713  0.0810 -5.2660 3 1341.7945572  595161404713933 4    703832 4      C-13-H3C(O)CH3
 1017217.4070  0.0809 -5.2660 3 1341.7944572  595161404713933 3    703832 3      C-13-H3C(O)CH3
 1017279.9465  0.0081 -4.1787 3  459.8570712  595161404441727 0    431628 0      C-13-H3C(O)CH3
 1017279.9466  0.0081 -4.1787 3  459.8570712  595161404441827 0    431528 0      C-13-H3C(O)CH3
 1017324.3787  0.0212 -3.9766 3  850.7697428  5951614045346 7 4    5245 7 4      C-13-H3C(O)CH3
 1017327.7783  0.0246 -5.0683 3  457.6877664  595161404412913 2    402615 2      C-13-H3C(O)CH3
 1017341.5510  0.0104 -4.1785 3  459.8280712  595161404441727 2    431628 2      C-13-H3C(O)CH3
 1017341.5510  0.0104 -4.1785 3  459.8280712  595161404441827 2    431528 2      C-13-H3C(O)CH3
 1017346.1083  0.0098 -4.1784 3  459.8293712  595161404441727 1    431628 1      C-13-H3C(O)CH3
 1017346.1084  0.0098 -4.1784 3  459.8293712  595161404441827 1    431528 1      C-13-H3C(O)CH3
 1017352.3893  0.0173 -3.6755 3  850.7376856  5951614045346 8 2    5245 7 2      C-13-H3C(O)CH3
 1017367.6018  0.0154 -3.6755 3  850.7536856  5951614045346 7 1    5245 7 1      C-13-H3C(O)CH3
 1017377.8311  0.0193 -4.8374 3  457.7031664  595161404412912 0    402615 0      C-13-H3C(O)CH3
 1017395.7909  0.0145 -3.6754 3  850.7214856  5951614045346 8 0    5245 7 0      C-13-H3C(O)CH3
 1017395.7909  0.0145 -3.6754 3  850.7214856  5951614045346 7 0    5245 8 0      C-13-H3C(O)CH3
 1017407.7519  0.0116 -4.4791 3  459.8003356  595161404441727 4    431628 4      C-13-H3C(O)CH3
 1017407.7520  0.0116 -4.4791 3  459.8003356  595161404441827 4    431528 4      C-13-H3C(O)CH3
 1017407.8399  0.0116 -4.4792 3  459.8003356  595161404441727 3    431628 3      C-13-H3C(O)CH3
 1017407.8400  0.0116 -4.4792 3  459.8003356  595161404441827 3    431528 3      C-13-H3C(O)CH3
 1017413.4811  0.0225 -3.9766 3  850.7679428  5951614045346 7 3    5245 7 3      C-13-H3C(O)CH3
 1017418.1579  0.0147 -4.7554 3  297.8935648  59516140440 634 2    39 535 2      C-13-H3C(O)CH3
 1017418.1579  0.0147 -4.7554 3  297.8935648  59516140440 734 2    39 435 2      C-13-H3C(O)CH3
 1017420.9677  0.0162 -5.2853 3  297.8940648  59516140440 634 1    39 435 1      C-13-H3C(O)CH3
 1017420.9677  0.0162 -4.9071 3  297.8940648  59516140440 634 1    39 535 1      C-13-H3C(O)CH3
 1017420.9677  0.0162 -5.2853 3  297.8940648  59516140440 734 1    39 535 1      C-13-H3C(O)CH3
 1017420.9677  0.0162 -4.9071 3  297.8940648  59516140440 734 1    39 435 1      C-13-H3C(O)CH3
 1017442.0335  0.0180 -3.6755 3  850.7357856  5951614045346 7 2    5245 8 2      C-13-H3C(O)CH3
 1017450.1439  0.0335 -5.8575 3  253.9001316  59516140439 436 3    38 137 3      C-13-H3C(O)CH3
 1017450.1439  0.0335 -5.8575 3  253.9001316  59516140439 336 3    38 237 3      C-13-H3C(O)CH3
 1017450.6123  0.0353 -5.6708 3  253.9002316  59516140439 436 4    38 137 4      C-13-H3C(O)CH3
 1017450.6123  0.0353 -5.6708 3  253.9002316  59516140439 336 4    38 237 4      C-13-H3C(O)CH3
 1017454.3825  0.0228 -3.9765 3  850.7532428  5951614045346 8 3    5245 8 3      C-13-H3C(O)CH3
 1017498.1824  0.0169 -3.6754 3  850.7371856  5951614045346 8 1    5245 8 1      C-13-H3C(O)CH3
 1017543.9527  0.0262 -3.9765 3  850.7514428  5951614045346 8 4    5245 8 4      C-13-H3C(O)CH3
 1017588.4286  0.1889 -4.8422 3  894.0472920  595161404573820 2    563719 2      C-13-H3C(O)CH3
 1017732.4363  0.0314 -5.4455 3  457.6728332  595161404412913 3    402615 3      C-13-H3C(O)CH3
 1017742.9268  0.1372 -4.7113 3  894.0400920  595161404573820 1    563719 1      C-13-H3C(O)CH3
 1017829.7585  0.0265 -5.1597 3  457.6862664  595161404412912 1    402615 1      C-13-H3C(O)CH3
 1017935.4256  0.0140 -4.7956 3  297.8860648  59516140440 634 0    39 535 0      C-13-H3C(O)CH3
 1017935.4256  0.0140 -5.7996 3  297.8860648  59516140440 634 0    39 435 0      C-13-H3C(O)CH3
 1017935.4256  0.0140 -5.7996 3  297.8860648  59516140440 734 0    39 535 0      C-13-H3C(O)CH3
 1017935.4256  0.0140 -4.7956 3  297.8860648  59516140440 734 0    39 435 0      C-13-H3C(O)CH3
 1018028.3078  0.1474 -5.6564 3 1605.5079668  595161404832657 4    822756 4      C-13-H3C(O)CH3
 1018028.3078  0.1474 -5.8518 3 1605.5079668  595161404832657 4    822656 4      C-13-H3C(O)CH3
 1018028.3078  0.1474 -5.8518 3 1605.5079668  595161404832757 4    822756 4      C-13-H3C(O)CH3
 1018028.3078  0.1474 -5.6564 3 1605.5079668  595161404832757 4    822656 4      C-13-H3C(O)CH3
 1018028.3269  0.1474 -5.4422 3 1605.5078668  595161404832757 3    822656 3      C-13-H3C(O)CH3
 1018028.3269  0.1474 -5.4422 3 1605.5078668  595161404832657 3    822756 3      C-13-H3C(O)CH3
 1018040.7700  0.1838 -5.5648 3 1605.4868D36  595161404832757 1    822656 1      C-13-H3C(O)CH3
 1018040.7700  0.1838 -5.3466 3 1605.4868D36  595161404832757 1    822756 1      C-13-H3C(O)CH3
 1018040.7700  0.1838 -5.3466 3 1605.4868D36  595161404832657 1    822656 1      C-13-H3C(O)CH3
 1018040.7700  0.1838 -5.5648 3 1605.4868D36  595161404832657 1    822756 1      C-13-H3C(O)CH3
 1018045.7707  0.1834 -5.6169 3 1605.4897D36  595161404832757 2    822756 2      C-13-H3C(O)CH3
 1018045.7707  0.1834 -5.6169 3 1605.4897D36  595161404832657 2    822656 2      C-13-H3C(O)CH3
 1018045.7707  0.1834 -5.3179 3 1605.4897D36  595161404832657 2    822756 2      C-13-H3C(O)CH3
 1018045.7707  0.1834 -5.3179 3 1605.4897D36  595161404832757 2    822656 2      C-13-H3C(O)CH3
 1018058.2095  0.1795 -5.1644 3 1605.4688D36  595161404832657 0    822756 0      C-13-H3C(O)CH3
 1018058.2095  0.1795 -5.1644 3 1605.4688D36  595161404832757 0    822656 0      C-13-H3C(O)CH3
 1018058.7197  0.0399 -5.4319 3  457.6728332  595161404412912 3    402615 3      C-13-H3C(O)CH3
 1018096.4398  0.1953 -5.2371 3 1714.5270E64  595161404911874 0    901773 0      C-13-H3C(O)CH3
 1018096.4398  0.1953 -5.2371 3 1714.5270E64  595161404911774 0    901873 0      C-13-H3C(O)CH3
 1018106.0725  0.2053 -5.2580 3 1714.5489E64  595161404911774 1    901773 1      C-13-H3C(O)CH3
 1018106.0725  0.2053 -5.2580 3 1714.5489E64  595161404911874 1    901873 1      C-13-H3C(O)CH3
 1018110.0032  0.2122 -5.3133 3 1714.5502E64  595161404911774 2    901873 2      C-13-H3C(O)CH3
 1018110.0032  0.2122 -5.3133 3 1714.5502E64  595161404911874 2    901773 2      C-13-H3C(O)CH3
 1018113.8608  0.0247 -4.0578 3  894.0006920  595161404573820 0    563719 0      C-13-H3C(O)CH3
 1018119.6572  0.1570 -5.7400 3 1714.5721732  595161404911874 3    901773 3      C-13-H3C(O)CH3
 1018119.6572  0.1570 -5.7400 3 1714.5721732  595161404911774 3    901873 3      C-13-H3C(O)CH3
 1018119.6741  0.1570 -5.7638 3 1714.5721732  595161404911874 4    901773 4      C-13-H3C(O)CH3
 1018119.6741  0.1570 -5.9206 3 1714.5721732  595161404911874 4    901873 4      C-13-H3C(O)CH3
 1018119.6741  0.1570 -5.9206 3 1714.5721732  595161404911774 4    901773 4      C-13-H3C(O)CH3
 1018119.6741  0.1570 -5.7638 3 1714.5721732  595161404911774 4    901873 4      C-13-H3C(O)CH3
 1018160.2775  0.1349 -5.6297 3 1770.9173F76  59516140498 989 0    971088 0      C-13-H3C(O)CH3
 1018160.2775  0.1349 -5.4982 3 1770.9173F76  59516140498 989 0    97 988 0      C-13-H3C(O)CH3
 1018160.2775  0.1349 -5.6297 3 1770.9173F76  595161404981089 0    97 988 0      C-13-H3C(O)CH3
 1018160.2775  0.1349 -5.4982 3 1770.9173F76  595161404981089 0    971088 0      C-13-H3C(O)CH3
 1018194.0901  0.1385 -5.6063 3 1770.9143F76  59516140498 989 2    971088 2      C-13-H3C(O)CH3
 1018194.0901  0.1385 -5.5163 3 1770.9143F76  59516140498 989 2    97 988 2      C-13-H3C(O)CH3
 1018194.0901  0.1385 -5.6063 3 1770.9143F76  595161404981089 2    97 988 2      C-13-H3C(O)CH3
 1018194.0901  0.1385 -5.5163 3 1770.9143F76  595161404981089 2    971088 2      C-13-H3C(O)CH3
 1018194.1415  0.1476 -5.3064 3 1770.9146F76  59516140498 989 1    97 988 1      C-13-H3C(O)CH3
 1018194.1415  0.1476 -5.3064 3 1770.9146F76  595161404981089 1    971088 1      C-13-H3C(O)CH3
 1018227.9708  0.1291 -5.7807 3 1770.9116788  595161404981089 3    971088 3      C-13-H3C(O)CH3
 1018227.9708  0.1291 -5.7856 3 1770.9116788  59516140498 989 3    97 988 3      C-13-H3C(O)CH3
 1018228.0106  0.1291 -5.7911 3 1770.9116788  595161404981089 4    97 988 4      C-13-H3C(O)CH3
 1018228.0106  0.1291 -5.7911 3 1770.9116788  59516140498 989 4    971088 4      C-13-H3C(O)CH3
 1018345.6794  0.0963 -4.4276 3  894.0682460  595161404573820 3    563719 3      C-13-H3C(O)CH3
 1018351.5230  0.0392 -5.2234 3  457.6877664  595161404412912 2    402615 2      C-13-H3C(O)CH3
 1018352.0555  0.0396 -5.3556 3  253.8512632  59516140439 436 2    38 137 2      C-13-H3C(O)CH3
 1018352.0555  0.0396 -5.3556 3  253.8512632  59516140439 336 2    38 237 2      C-13-H3C(O)CH3
 1018353.3966  0.0421 -5.4707 3  253.8516632  59516140439 436 1    38 237 1      C-13-H3C(O)CH3
 1018353.3966  0.0421 -5.4707 3  253.8516632  59516140439 336 1    38 137 1      C-13-H3C(O)CH3
 1018491.5026  0.1741 -5.2933 3 1315.0791564  595161404703931 3    694030 3      C-13-H3C(O)CH3
 1018492.5636  0.1700 -5.2933 3 1315.0791564  595161404703931 4    694030 4      C-13-H3C(O)CH3
 1018526.0603  0.1559 -4.9920 3 1315.0664B28  595161404703931 1    694030 1      C-13-H3C(O)CH3
 1018559.0022  0.0269 -4.1353 3  894.0472920 -595161404573819 2    563719 2      C-13-H3C(O)CH3
 1018564.7769  0.0264 -4.1666 3  894.0400920 -595161404573819 1    563719 1      C-13-H3C(O)CH3
 1018590.9435  0.1915 -4.9917 3 1315.0702B28  595161404703931 2    694030 2      C-13-H3C(O)CH3
 1018623.3649  0.1563 -4.9914 3 1315.0576B28  595161404703931 0    694030 0      C-13-H3C(O)CH3
 1018629.1362  0.0307 -4.3829 3  894.0930460  595161404573819 4    563719 4      C-13-H3C(O)CH3
 1018680.9111  0.0364 -5.1873 3  894.0682460  595161404573819 3    563719 3      C-13-H3C(O)CH3
 1018844.4619  0.0203 -4.0411 3  858.5667436  595161404544411 4    534311 4      C-13-H3C(O)CH3
 1018872.1687  0.0243 -4.1657 3  894.0023920 -595161404573820 1    563720 1      C-13-H3C(O)CH3
 1018878.8240  0.0231 -4.1344 3  894.0042920 -595161404573820 2    563720 2      C-13-H3C(O)CH3
 1018885.9382  0.0480 -5.5881 3  457.6685332  595161404412912 4    402615 4      C-13-H3C(O)CH3
 1018889.5554  0.0170 -3.7400 3  858.5404872  595161404544411 2    534311 2      C-13-H3C(O)CH3
 1018929.2065  0.0132 -3.7399 3  858.5447872 -595161404544410 1    534310 1      C-13-H3C(O)CH3
 1018968.5287  0.0194 -4.0410 3  858.5747436  595161404544410 3    534310 3      C-13-H3C(O)CH3
 1018971.2501  0.0210 -4.0410 3  858.5596436  595161404544411 3    534311 3      C-13-H3C(O)CH3
 1018974.0374  0.0117 -3.7398 3  858.5183872 -595161404544411 0    534310 0      C-13-H3C(O)CH3
 1018974.0374  0.0117 -3.7398 3  858.5183872 -595161404544410 0    534311 0      C-13-H3C(O)CH3
 1018985.1794  0.1510 -5.5219 3 1623.5913676  595161404842559 4    832558 4      C-13-H3C(O)CH3
 1018985.1794  0.1510 -5.5219 3 1623.5913676  595161404842659 4    832658 4      C-13-H3C(O)CH3
 1018985.1948  0.1510 -5.5957 3 1623.5913676  595161404842559 3    832658 3      C-13-H3C(O)CH3
 1018985.1948  0.1510 -5.5957 3 1623.5913676  595161404842659 3    832558 3      C-13-H3C(O)CH3
 1018985.7691  0.0499 -5.8578 3  916.6682936  595161404583721 1    573621 1      C-13-H3C(O)CH3
 1018995.9020  0.1917 -5.1601 3 1623.5697D52  595161404842659 1    832558 1      C-13-H3C(O)CH3
 1018995.9020  0.1917 -5.1601 3 1623.5697D52  595161404842559 1    832658 1      C-13-H3C(O)CH3
 1019001.1423  0.1915 -5.1890 3 1623.5726D52  595161404842659 2    832658 2      C-13-H3C(O)CH3
 1019001.1423  0.1915 -5.1890 3 1623.5726D52  595161404842559 2    832558 2      C-13-H3C(O)CH3
 1019001.9016  0.0599 -5.7711 3  916.6689936  595161404583721 2    573621 2      C-13-H3C(O)CH3
 1019005.6080  0.0330 -5.1869 3  894.0462460  595161404573820 3    563720 3      C-13-H3C(O)CH3
 1019011.8475  0.1858 -5.1672 3 1623.5511D52  595161404842659 0    832558 0      C-13-H3C(O)CH3
 1019011.8475  0.1858 -5.1672 3 1623.5511D52  595161404842559 0    832658 0      C-13-H3C(O)CH3
 1019013.8062  0.0145 -3.7399 3  858.5482872 -595161404544410 2    534310 2      C-13-H3C(O)CH3
 1019056.1966  0.0127 -3.7398 3  858.5375872 -595161404544411 1    534311 1      C-13-H3C(O)CH3
 1019057.6568  0.0286 -4.3813 3  894.0216460  595161404573820 4    563720 4      C-13-H3C(O)CH3
 1019074.1666  0.0245 -4.0571 3  893.9788920  595161404573819 0    563720 0      C-13-H3C(O)CH3
 1019095.8997  0.0202 -4.0410 3  858.5674436  595161404544410 4    534310 4      C-13-H3C(O)CH3
 1019236.4647  0.1913 -5.3175 3 1727.6783E80  595161404921676 0    911775 0      C-13-H3C(O)CH3
 1019236.4647  0.1913 -5.5490 3 1727.6783E80  595161404921776 0    911675 0      C-13-H3C(O)CH3
 1019236.4647  0.1913 -5.5453 3 1727.6783E80  595161404921776 0    911775 0      C-13-H3C(O)CH3
 1019245.0639  0.0225 -5.6536 3  358.9565568  5951614043531 5 2    3428 7 2      C-13-H3C(O)CH3
 1019250.2823  0.1992 -5.2576 3 1727.6996E80  595161404921676 1    911675 1      C-13-H3C(O)CH3
 1019250.2823  0.1992 -5.2576 3 1727.6996E80  595161404921776 1    911775 1      C-13-H3C(O)CH3
 1019253.2715  0.0376 -5.3601 3  253.8027632  59516140439 336 0    38 137 0      C-13-H3C(O)CH3
 1019253.2715  0.0376 -5.3601 3  253.8027632  59516140439 436 0    38 237 0      C-13-H3C(O)CH3
 1019253.6989  0.2069 -5.4394 3 1727.7006E80  595161404921676 2    911675 2      C-13-H3C(O)CH3
 1019253.6989  0.2069 -5.4394 3 1727.7006E80  595161404921776 2    911775 2      C-13-H3C(O)CH3
 1019253.6989  0.2069 -5.6909 3 1727.7006E80  595161404921776 2    911675 2      C-13-H3C(O)CH3
 1019253.6989  0.2069 -5.6909 3 1727.7006E80  595161404921676 2    911775 2      C-13-H3C(O)CH3
 1019267.5408  0.1566 -5.5474 3 1727.7219740  595161404921776 3    911675 3      C-13-H3C(O)CH3
 1019267.5408  0.1566 -5.5474 3 1727.7219740  595161404921676 3    911775 3      C-13-H3C(O)CH3
 1019267.5612  0.1567 -5.7963 3 1727.7220740  595161404921776 4    911775 4      C-13-H3C(O)CH3
 1019267.5612  0.1567 -5.9072 3 1727.7220740  595161404921776 4    911675 4      C-13-H3C(O)CH3
 1019267.5612  0.1567 -5.9072 3 1727.7220740  595161404921676 4    911775 4      C-13-H3C(O)CH3
 1019267.5612  0.1567 -5.7963 3 1727.7220740  595161404921676 4    911675 4      C-13-H3C(O)CH3
 1019308.6967  0.0733 -5.5322 3  916.6874468  595161404583721 4    573621 4      C-13-H3C(O)CH3
 1019313.4874  0.0239 -5.6517 3  358.9379568  5951614043531 5 1    3428 7 1      C-13-H3C(O)CH3
 1019340.8397  0.1013 -4.4269 3  894.0462460  595161404573819 3    563720 3      C-13-H3C(O)CH3
 1019405.5085  0.0508 -3.5753 3  850.1607824  5951614045151 0 1    5050 0 1      C-13-H3C(O)CH3
 1019416.0988  0.1352 -5.4650 3 1779.7980F92  59516140499 991 0    98 890 0      C-13-H3C(O)CH3
 1019416.0988  0.1352 -5.6964 3 1779.7980F92  59516140499 991 0    98 990 0      C-13-H3C(O)CH3
 1019416.0988  0.1352 -5.4650 3 1779.7980F92  59516140499 891 0    98 990 0      C-13-H3C(O)CH3
 1019416.0988  0.1352 -5.6964 3 1779.7980F92  59516140499 891 0    98 890 0      C-13-H3C(O)CH3
 1019443.4933  0.0583 -3.8764 3  850.2267412  5951614045151 0 4    5050 0 4      C-13-H3C(O)CH3
 1019447.4931  0.1468 -5.3107 3 1779.7880F92  59516140499 991 2    98 990 2      C-13-H3C(O)CH3
 1019447.4931  0.1468 -5.3107 3 1779.7880F92  59516140499 891 2    98 890 2      C-13-H3C(O)CH3
 1019447.6411  0.1576 -5.4298 3 1779.7883F92  59516140499 991 1    98 990 1      C-13-H3C(O)CH3
 1019447.6411  0.1576 -5.4298 3 1779.7883F92  59516140499 891 1    98 890 1      C-13-H3C(O)CH3
 1019447.6411  0.1576 -5.7637 3 1779.7883F92  59516140499 991 1    98 890 1      C-13-H3C(O)CH3
 1019447.6411  0.1576 -5.7637 3 1779.7883F92  59516140499 891 1    98 990 1      C-13-H3C(O)CH3
 1019479.0446  0.1249 -5.6503 3 1779.7783796  59516140499 891 3    98 890 3      C-13-H3C(O)CH3
 1019479.0446  0.1249 -5.6503 3 1779.7783796  59516140499 991 3    98 990 3      C-13-H3C(O)CH3
 1019479.0808  0.1249 -5.6661 3 1779.7783796  59516140499 891 4    98 890 4      C-13-H3C(O)CH3
 1019479.0808  0.1249 -5.6661 3 1779.7783796  59516140499 991 4    98 990 4      C-13-H3C(O)CH3
 1019499.3452  0.0487 -3.5751 3  850.0896824  5951614045151 1 0    5050 1 0      C-13-H3C(O)CH3
 1019499.3452  0.0487 -3.5751 3  850.0896824  5951614045151 0 0    5050 0 0      C-13-H3C(O)CH3
 1019537.2557  0.0500 -3.5752 3  850.1554824  5951614045151 0 2    5050 0 2      C-13-H3C(O)CH3
 1019538.2553  0.0233 -5.6510 3  358.9602568  5951614043531 4 2    3428 6 2      C-13-H3C(O)CH3
 1019613.5747  0.0652 -3.8762 3  850.1760412  5951614045151 1 3    5050 1 3      C-13-H3C(O)CH3
 1019637.2172  0.0232 -5.6555 3  358.9867568  5951614043531 5 0    3428 6 0      C-13-H3C(O)CH3
 1019637.2201  0.0232 -5.6555 3  358.9867568  5951614043531 4 0    3428 7 0      C-13-H3C(O)CH3
 1019664.1436  0.0597 -3.5751 3  850.1410824  5951614045151 1 1    5050 1 1      C-13-H3C(O)CH3
 1019694.1073  0.1458 -4.7100 3  894.0023920  595161404573819 1    563720 1      C-13-H3C(O)CH3
 1019702.7312  0.0619 -3.8762 3  850.2069412  5951614045151 0 3    5050 0 3      C-13-H3C(O)CH3
 1019706.7585  0.0659 -3.5749 3  850.1048824  5951614045151 1 2    5050 1 2      C-13-H3C(O)CH3
 1019849.7404  0.2015 -4.8407 3  894.0042920  595161404573819 2    563720 2      C-13-H3C(O)CH3
 1019872.0976  0.0854 -3.8759 3  850.1562412  5951614045151 1 4    5050 1 4      C-13-H3C(O)CH3
 1019933.1276  0.0203 -4.1193 3  868.2135444  595161404554214 4    544113 4      C-13-H3C(O)CH3
 1019945.6377  0.0235 -5.6522 3  358.9496568  5951614043531 4 1    3428 6 1      C-13-H3C(O)CH3
 1019974.8870  0.1544 -5.4821 3 1641.1196684  595161404852561 4    842560 4      C-13-H3C(O)CH3
 1019974.8870  0.1544 -5.4821 3 1641.1196684  595161404852461 4    842460 4      C-13-H3C(O)CH3
 1019974.8986  0.1544 -5.4983 3 1641.1196684  595161404852461 3    842560 3      C-13-H3C(O)CH3
 1019974.8986  0.1544 -5.4983 3 1641.1196684  595161404852561 3    842460 3      C-13-H3C(O)CH3
 1019983.6284  0.1993 -5.2071 3 1641.0975D68  595161404852461 1    842560 1      C-13-H3C(O)CH3
 1019983.6284  0.1993 -5.2071 3 1641.0975D68  595161404852561 1    842460 1      C-13-H3C(O)CH3
 1019989.0416  0.1995 -5.8677 3 1641.1003D68  595161404852461 2    842460 2      C-13-H3C(O)CH3
 1019989.0416  0.1995 -5.8677 3 1641.1003D68  595161404852561 2    842560 2      C-13-H3C(O)CH3
 1019989.0416  0.1995 -5.2772 3 1641.1003D68  595161404852461 2    842560 2      C-13-H3C(O)CH3
 1019989.0416  0.1995 -5.2772 3 1641.1003D68  595161404852561 2    842460 2      C-13-H3C(O)CH3
 1019989.0917  0.0166 -3.8181 3  868.1826888  595161404554214 2    544114 2      C-13-H3C(O)CH3
 1019997.7718  0.1918 -5.1813 3 1641.0782D68  595161404852561 0    842460 0      C-13-H3C(O)CH3
 1019997.7718  0.1918 -5.1813 3 1641.0782D68  595161404852461 0    842560 0      C-13-H3C(O)CH3
 1020030.6576  0.0129 -3.8179 3  868.1763888  595161404554214 1    544113 1      C-13-H3C(O)CH3
 1020080.4615  0.0208 -4.1192 3  868.2092444  595161404554214 3    544114 3      C-13-H3C(O)CH3
 1020086.4530  0.0098 -3.8177 3  868.1454888 -595161404554214 0    544113 0      C-13-H3C(O)CH3
 1020086.4530  0.0098 -3.8177 3  868.1454888 -595161404554213 0    544114 0      C-13-H3C(O)CH3
 1020103.7935  0.0188 -4.1191 3  868.2168444  595161404554213 3    544113 3      C-13-H3C(O)CH3
 1020159.7162  0.0146 -3.8178 3  868.1858888  595161404554213 2    544113 2      C-13-H3C(O)CH3
 1020177.8845  0.0129 -3.8178 3  868.1720888  595161404554213 1    544114 1      C-13-H3C(O)CH3
 1020226.9722  0.0205 -4.2185 3  879.9254452  595161404564016 4    553916 4      C-13-H3C(O)CH3
 1020251.4399  0.0204 -4.1189 3  868.2124444  595161404554213 4    544114 4      C-13-H3C(O)CH3
 1020263.1248  0.0165 -3.9172 3  879.8839904 -595161404564016 2    553916 2      C-13-H3C(O)CH3
 1020293.6709  0.0162 -3.9171 3  879.8731904 -595161404564016 1    553916 1      C-13-H3C(O)CH3
 1020328.8761  0.0135 -3.9168 3  879.8318904 -595161404564017 0    553916 0      C-13-H3C(O)CH3
 1020331.9698  0.0135 -3.9168 3  879.8317904  595161404564016 0    553917 0      C-13-H3C(O)CH3
 1020391.0004  0.1855 -5.3094 3 1740.2959E96  595161404931578 0    921677 0      C-13-H3C(O)CH3
 1020391.0004  0.1855 -5.3094 3 1740.2959E96  595161404931678 0    921577 0      C-13-H3C(O)CH3
 1020398.2556  0.0221 -4.2190 3  879.9128452  595161404564016 3    553916 3      C-13-H3C(O)CH3
 1020409.0996  0.1904 -5.3126 3 1740.3162E96  595161404931678 1    921577 1      C-13-H3C(O)CH3
 1020409.0996  0.1904 -5.3126 3 1740.3162E96  595161404931578 1    921677 1      C-13-H3C(O)CH3
 1020411.9492  0.1985 -5.2627 3 1740.3170E96  595161404931578 2    921677 2      C-13-H3C(O)CH3
 1020411.9492  0.1985 -5.2627 3 1740.3170E96  595161404931678 2    921577 2      C-13-H3C(O)CH3
 1020430.0754  0.1557 -5.5773 3 1740.3373748  595161404931678 3    921577 3      C-13-H3C(O)CH3
 1020430.0754  0.1557 -5.5773 3 1740.3373748  595161404931578 3    921677 3      C-13-H3C(O)CH3
 1020430.0991  0.1557 -5.5604 3 1740.3373748  595161404931678 4    921677 4      C-13-H3C(O)CH3
 1020430.0991  0.1557 -5.5604 3 1740.3373748  595161404931578 4    921577 4      C-13-H3C(O)CH3
 1020431.9848  0.0221 -4.2189 3  879.9111452  595161404564017 3    553917 3      C-13-H3C(O)CH3
 1020464.9096  0.0154 -3.9168 3  879.8606904 -595161404564017 1    553917 1      C-13-H3C(O)CH3
 1020468.1056  0.0169 -3.9167 3  879.8697904 -595161404564017 2    553917 2      C-13-H3C(O)CH3
 1020603.3281  0.0257 -4.2176 3  879.8985452  595161404564017 4    553917 4      C-13-H3C(O)CH3
 1020689.1678  0.1353 -5.2724 3 1788.1547G08  595161404A0 793 0    99 892 0      C-13-H3C(O)CH3
 1020689.1678  0.1353 -5.2767 3 1788.1547G08  595161404A0 893 0    99 792 0      C-13-H3C(O)CH3
 1020715.9069  0.1548 -5.3239 3 1788.1372G08  595161404A0 793 2    99 892 2      C-13-H3C(O)CH3
 1020715.9069  0.1548 -5.3239 3 1788.1372G08  595161404A0 893 2    99 792 2      C-13-H3C(O)CH3
 1020716.0347  0.1653 -5.2900 3 1788.1373G08  595161404A0 793 1    99 792 1      C-13-H3C(O)CH3
 1020716.0347  0.1653 -5.2900 3 1788.1373G08  595161404A0 893 1    99 892 1      C-13-H3C(O)CH3
 1020742.7765  0.1194 -5.5999 3 1788.1198804  595161404A0 793 3    99 892 3      C-13-H3C(O)CH3
 1020742.7765  0.1194 -5.6070 3 1788.1198804  595161404A0 893 3    99 792 3      C-13-H3C(O)CH3
 1020742.8039  0.1194 -5.6937 3 1788.1198804  595161404A0 793 4    99 792 4      C-13-H3C(O)CH3
 1020742.8039  0.1194 -5.6937 3 1788.1198804  595161404A0 893 4    99 892 4      C-13-H3C(O)CH3
 1020769.3819  0.2846 -5.6174 3  894.0216460  595161404573819 4    563720 4      C-13-H3C(O)CH3
 1020992.9421  0.1575 -5.5561 3 1658.0966692  595161404862463 4    852362 4      C-13-H3C(O)CH3
 1020992.9421  0.1575 -5.5561 3 1658.0966692  595161404862363 4    852462 4      C-13-H3C(O)CH3
 1020992.9499  0.1575 -5.5421 3 1658.0965692  595161404862363 3    852362 3      C-13-H3C(O)CH3
 1020992.9499  0.1575 -5.5421 3 1658.0965692  595161404862463 3    852462 3      C-13-H3C(O)CH3
 1020999.4572  0.2064 -5.1959 3 1658.0738D84  595161404862363 1    852362 1      C-13-H3C(O)CH3
 1020999.4572  0.2064 -5.1959 3 1658.0738D84  595161404862463 1    852462 1      C-13-H3C(O)CH3
 1021004.9683  0.2072 -5.1985 3 1658.0766D84  595161404862363 2    852362 2      C-13-H3C(O)CH3
 1021004.9683  0.2072 -5.1985 3 1658.0766D84  595161404862463 2    852462 2      C-13-H3C(O)CH3
 1021011.4784  0.1973 -5.2592 3 1658.0539D84  595161404862463 0    852462 0      C-13-H3C(O)CH3
 1021011.4784  0.1973 -5.2592 3 1658.0539D84  595161404862363 0    852362 0      C-13-H3C(O)CH3
 1021126.1158  0.0111 -4.5525 3  417.8452348  595161404431529 4    421330 4      C-13-H3C(O)CH3
 1021126.1158  0.0111 -4.5531 3  417.8452348  595161404431429 4    421230 4      C-13-H3C(O)CH3
 1021126.4244  0.0111 -4.5761 3  417.8452348  595161404431429 3    421230 3      C-13-H3C(O)CH3
 1021126.4244  0.0111 -5.8156 3  417.8452348  595161404431429 3    421330 3      C-13-H3C(O)CH3
 1021126.4244  0.0111 -4.5764 3  417.8452348  595161404431529 3    421330 3      C-13-H3C(O)CH3
 1021126.4244  0.0111 -5.8105 3  417.8452348  595161404431529 3    421230 3      C-13-H3C(O)CH3
 1021130.8708  0.0104 -4.2559 3  417.8734696  595161404431529 2    421230 2      C-13-H3C(O)CH3
 1021130.8708  0.0104 -4.2539 3  417.8734696  595161404431429 2    421330 2      C-13-H3C(O)CH3
 1021135.2770  0.0105 -4.2555 3  417.8744696  595161404431529 1    421230 1      C-13-H3C(O)CH3
 1021135.2770  0.0105 -4.2604 3  417.8744696  595161404431429 1    421330 1      C-13-H3C(O)CH3
 1021135.2770  0.0105 -5.9150 3  417.8744696  595161404431429 1    421230 1      C-13-H3C(O)CH3
 1021139.7419  0.0082 -4.3109 3  417.9025696  595161404431529 0    421330 0      C-13-H3C(O)CH3
 1021139.7419  0.0082 -5.1415 3  417.9025696  595161404431529 0    421230 0      C-13-H3C(O)CH3
 1021139.7419  0.0082 -5.0626 3  417.9025696  595161404431429 0    421330 0      C-13-H3C(O)CH3
 1021139.7419  0.0082 -4.3239 3  417.9025696  595161404431429 0    421230 0      C-13-H3C(O)CH3
 1021253.6348  0.4823 -5.3911 3 1321.5301564  595161404704030 3    694129 3      C-13-H3C(O)CH3
 1021256.4958  0.4700 -5.3911 3 1321.5300564  595161404704030 4    694129 4      C-13-H3C(O)CH3
 1021437.8479  0.4355 -5.0893 3 1321.5170B28  595161404704030 1    694129 1      C-13-H3C(O)CH3
 1021478.3786  0.0281 -3.6195 3  854.1882840  5951614045249 3 1    5148 3 1      C-13-H3C(O)CH3
 1021478.5093  0.0176 -5.3459 3  380.7259616  595161404382514 0    372017 0      C-13-H3C(O)CH3
 1021495.8685  0.0343 -3.9205 3  854.2213420  5951614045249 3 4    5148 3 4      C-13-H3C(O)CH3
 1021521.4294  0.0263 -3.6194 3  854.1353840  5951614045249 4 0    5148 4 0      C-13-H3C(O)CH3
 1021521.4294  0.0263 -3.6194 3  854.1353840  5951614045249 3 0    5148 3 0      C-13-H3C(O)CH3
 1021538.3546  0.0281 -3.6194 3  854.1684840  5951614045249 3 2    5148 3 2      C-13-H3C(O)CH3
 1021559.8043  0.1780 -5.4459 3 1752.3815F12  595161404941480 0    931579 0      C-13-H3C(O)CH3
 1021559.8043  0.1780 -5.7476 3 1752.3815F12  595161404941480 0    931479 0      C-13-H3C(O)CH3
 1021559.8043  0.1780 -5.4459 3 1752.3815F12  595161404941580 0    931479 0      C-13-H3C(O)CH3
 1021559.8043  0.1780 -5.7476 3 1752.3815F12  595161404941580 0    931579 0      C-13-H3C(O)CH3
 1021560.6404  0.0171 -5.3457 3  380.7033616  595161404382514 1    372017 1      C-13-H3C(O)CH3
 1021582.1393  0.1795 -5.4735 3 1752.4003F12  595161404941480 1    931479 1      C-13-H3C(O)CH3
 1021582.1393  0.1795 -5.4735 3 1752.4003F12  595161404941580 1    931579 1      C-13-H3C(O)CH3
 1021582.1393  0.1795 -5.6972 3 1752.4003F12  595161404941480 1    931579 1      C-13-H3C(O)CH3
 1021582.1393  0.1795 -5.6972 3 1752.4003F12  595161404941580 1    931479 1      C-13-H3C(O)CH3
 1021584.3939  0.1873 -5.2875 3 1752.4007F12  595161404941480 2    931479 2      C-13-H3C(O)CH3
 1021584.3939  0.1873 -5.2875 3 1752.4007F12  595161404941580 2    931579 2      C-13-H3C(O)CH3
 1021595.1382  0.0381 -3.9204 3  854.1920420  5951614045249 4 3    5148 4 3      C-13-H3C(O)CH3
 1021606.7583  0.1541 -5.7629 3 1752.4195756  595161404941480 3    931579 3      C-13-H3C(O)CH3
 1021606.7583  0.1541 -5.7629 3 1752.4195756  595161404941580 3    931479 3      C-13-H3C(O)CH3
 1021606.7854  0.1542 -5.6940 3 1752.4195756  595161404941480 4    931479 4      C-13-H3C(O)CH3
 1021606.7854  0.1542 -5.6940 3 1752.4195756  595161404941580 4    931579 4      C-13-H3C(O)CH3
 1021637.8160  0.0346 -3.6193 3  854.1392840  5951614045249 4 2    5148 4 2      C-13-H3C(O)CH3
 1021665.0952  0.0325 -3.6193 3  854.1639840  5951614045249 4 1    5148 4 1      C-13-H3C(O)CH3
 1021665.5546  0.5605 -5.0885 3 1321.5193B28  595161404704030 2    694129 2      C-13-H3C(O)CH3
 1021682.3186  0.0374 -3.9203 3  854.1969420  5951614045249 3 3    5148 3 3      C-13-H3C(O)CH3
 1021781.2055  0.0486 -3.9202 3  854.1677420  5951614045249 4 4    5148 4 4      C-13-H3C(O)CH3
 1021844.3236  0.4603 -5.0877 3 1321.5064B28  595161404704030 0    694129 0      C-13-H3C(O)CH3
 1021850.4959  0.0176 -5.3550 3  380.6958616  595161404382514 2    372017 2      C-13-H3C(O)CH3
 1021878.7723  0.0168 -5.6607 3  380.6731308  595161404382514 4    372017 4      C-13-H3C(O)CH3
 1021979.0915  0.0190 -5.6497 3  380.6731308  595161404382514 3    372017 3      C-13-H3C(O)CH3
 1022022.5213  0.1125 -5.3277 3 1450.4177604  595161404753540 4    743639 4      C-13-H3C(O)CH3
 1022022.5245  0.1125 -5.3277 3 1450.4177604  595161404753640 4    743539 4      C-13-H3C(O)CH3
 1022022.5683  0.1126 -5.3276 3 1450.4176604  595161404753540 3    743639 3      C-13-H3C(O)CH3
 1022022.5715  0.1126 -5.3276 3 1450.4176604  595161404753640 3    743539 3      C-13-H3C(O)CH3
 1022027.9365  0.1178 -5.3434 3 1473.8688612  595161404763442 4    753541 4      C-13-H3C(O)CH3
 1022027.9366  0.1178 -5.3434 3 1473.8688612  595161404763542 4    753441 4      C-13-H3C(O)CH3
 1022027.9824  0.1179 -5.3434 3 1473.8688612  595161404763442 3    753541 3      C-13-H3C(O)CH3
 1022027.9825  0.1179 -5.3434 3 1473.8688612  595161404763542 3    753441 3      C-13-H3C(O)CH3
 1022035.8590  0.1602 -5.5248 3 1674.5253700  595161404872365 4    862364 4      C-13-H3C(O)CH3
 1022035.8590  0.1602 -5.5248 3 1674.5253700  595161404872265 4    862264 4      C-13-H3C(O)CH3
 1022035.8628  0.1602 -5.6259 3 1674.5253700  595161404872265 3    862264 3      C-13-H3C(O)CH3
 1022035.8628  0.1602 -5.6259 3 1674.5253700  595161404872365 3    862364 3      C-13-H3C(O)CH3
 1022039.8980  0.2128 -5.8749 3 1674.5021E00  595161404872265 1    862264 1      C-13-H3C(O)CH3
 1022039.8980  0.2128 -5.8749 3 1674.5021E00  595161404872365 1    862364 1      C-13-H3C(O)CH3
 1022039.8980  0.2128 -5.3196 3 1674.5021E00  595161404872365 1    862264 1      C-13-H3C(O)CH3
 1022039.8980  0.2128 -5.3196 3 1674.5021E00  595161404872265 1    862364 1      C-13-H3C(O)CH3
 1022040.0419  0.1222 -5.0266 3 1450.4013C08  595161404753540 1    743639 1      C-13-H3C(O)CH3
 1022040.0451  0.1222 -5.0266 3 1450.4013C08  595161404753640 1    743539 1      C-13-H3C(O)CH3
 1022040.5436  0.1233 -5.0267 3 1450.4043C08  595161404753540 2    743639 2      C-13-H3C(O)CH3
 1022040.5461  0.1233 -5.0267 3 1450.4043C08  595161404753640 2    743539 2      C-13-H3C(O)CH3
 1022040.8830  0.3477 -4.5956 3 1041.5467A00  595161404623825 0    613724 0      C-13-H3C(O)CH3
 1022045.4240  0.2143 -5.9059 3 1674.5047E00  595161404872265 2    862364 2      C-13-H3C(O)CH3
 1022045.4240  0.2143 -5.3114 3 1674.5047E00  595161404872265 2    862264 2      C-13-H3C(O)CH3
 1022045.4240  0.2143 -5.3114 3 1674.5047E00  595161404872365 2    862364 2      C-13-H3C(O)CH3
 1022045.4240  0.2143 -5.9059 3 1674.5047E00  595161404872365 2    862264 2      C-13-H3C(O)CH3
 1022046.9292  0.1295 -5.0424 3 1473.8520C24  595161404763442 1    753541 1      C-13-H3C(O)CH3
 1022046.9293  0.1295 -5.0424 3 1473.8520C24  595161404763542 1    753441 1      C-13-H3C(O)CH3
 1022048.2407  0.1304 -5.0426 3 1473.8550C24  595161404763442 2    753541 2      C-13-H3C(O)CH3
 1022048.2407  0.1304 -5.0426 3 1473.8550C24  595161404763542 2    753441 2      C-13-H3C(O)CH3
 1022049.4644  0.2021 -5.5296 3 1674.4815E00  595161404872365 0    862364 0      C-13-H3C(O)CH3
 1022049.4644  0.2021 -5.4988 3 1674.4815E00  595161404872265 0    862364 0      C-13-H3C(O)CH3
 1022049.4644  0.2021 -5.4988 3 1674.4815E00  595161404872365 0    862264 0      C-13-H3C(O)CH3
 1022049.4644  0.2021 -5.5296 3 1674.4815E00  595161404872265 0    862264 0      C-13-H3C(O)CH3
 1022057.9965  0.1252 -5.0266 3 1450.3880C08  595161404753540 0    743639 0      C-13-H3C(O)CH3
 1022057.9990  0.1252 -5.0266 3 1450.3880C08  595161404753640 0    743539 0      C-13-H3C(O)CH3
 1022067.1661  0.1324 -5.0424 3 1473.8383C24  595161404763442 0    753541 0      C-13-H3C(O)CH3
 1022067.1662  0.1324 -5.0424 3 1473.8383C24  595161404763542 0    753441 0      C-13-H3C(O)CH3
 1022129.2650  0.0292 -5.3663 3  477.8557340  595161404422914 4    412616 4      C-13-H3C(O)CH3
 1022134.7686  0.0213 -5.1639 3  477.8734680  595161404422914 1    412616 1      C-13-H3C(O)CH3
 1022287.5131  0.1231 -5.3609 3 1496.6680620  595161404773444 4    763343 4      C-13-H3C(O)CH3
 1022287.5131  0.1231 -5.3609 3 1496.6680620  595161404773344 4    763443 4      C-13-H3C(O)CH3
 1022287.5570  0.1231 -5.3610 3 1496.6680620  595161404773444 3    763343 3      C-13-H3C(O)CH3
 1022287.5570  0.1231 -5.3609 3 1496.6680620  595161404773344 3    763443 3      C-13-H3C(O)CH3
 1022295.2963  0.0262 -5.1098 3  477.8729680  595161404422914 2    412616 2      C-13-H3C(O)CH3
 1022307.2358  0.1370 -5.0599 3 1496.6509C40  595161404773444 1    763343 1      C-13-H3C(O)CH3
 1022307.2358  0.1370 -5.0598 3 1496.6509C40  595161404773344 1    763443 1      C-13-H3C(O)CH3
 1022309.2322  0.1376 -5.0598 3 1496.6538C40  595161404773444 2    763343 2      C-13-H3C(O)CH3
 1022309.2322  0.1376 -5.0598 3 1496.6538C40  595161404773344 2    763443 2      C-13-H3C(O)CH3
 1022328.8903  0.1396 -5.0599 3 1496.6367C40  595161404773444 0    763343 0      C-13-H3C(O)CH3
 1022328.8903  0.1396 -5.0599 3 1496.6367C40  595161404773344 0    763443 0      C-13-H3C(O)CH3
 1022384.0340  0.1071 -5.3146 3 1426.2809596  595161404743638 4    733737 4      C-13-H3C(O)CH3
 1022384.0803  0.1071 -5.3145 3 1426.2809596  595161404743638 3    733737 3      C-13-H3C(O)CH3
 1022384.1689  0.1070 -5.3145 3 1426.2809596  595161404743738 4    733637 4      C-13-H3C(O)CH3
 1022384.2156  0.1071 -5.3145 3 1426.2809596  595161404743738 3    733637 3      C-13-H3C(O)CH3
 1022398.4241  0.1163 -5.0135 3 1426.2682B92  595161404743638 2    733737 2      C-13-H3C(O)CH3
 1022398.5363  0.1163 -5.0135 3 1426.2682B92  595161404743738 2    733637 2      C-13-H3C(O)CH3
 1022398.9425  0.1151 -5.0135 3 1426.2650B92  595161404743638 1    733737 1      C-13-H3C(O)CH3
 1022399.0761  0.1151 -5.0135 3 1426.2650B92  595161404743738 1    733637 1      C-13-H3C(O)CH3
 1022413.2691  0.1183 -5.0135 3 1426.2523B92  595161404743638 0    733737 0      C-13-H3C(O)CH3
 1022413.3799  0.1183 -5.0135 3 1426.2523B92  595161404743738 0    733637 0      C-13-H3C(O)CH3
 1022424.5467  0.0187 -4.7848 3  477.8894680  595161404422913 0    412616 0      C-13-H3C(O)CH3
 1022730.5071  0.1282 -5.8940 3 1518.8396628  595161404783346 4    773345 4      C-13-H3C(O)CH3
 1022730.5071  0.1282 -5.5380 3 1518.8396628  595161404783346 4    773245 4      C-13-H3C(O)CH3
 1022730.5071  0.1282 -5.8940 3 1518.8396628  595161404783246 4    773245 4      C-13-H3C(O)CH3
 1022730.5071  0.1282 -5.5380 3 1518.8396628  595161404783246 4    773345 4      C-13-H3C(O)CH3
 1022730.5484  0.1283 -5.4243 3 1518.8396628  595161404783346 3    773345 3      C-13-H3C(O)CH3
 1022730.5484  0.1283 -5.4243 3 1518.8396628  595161404783246 3    773245 3      C-13-H3C(O)CH3
 1022740.3703  0.0090 -4.1569 3  493.7898728  595161404451926 0    441827 0      C-13-H3C(O)CH3
 1022740.3741  0.0090 -4.1569 3  493.7898728  595161404452026 0    441727 0      C-13-H3C(O)CH3
 1022742.8428  0.1695 -5.9245 3 1763.9366F28  595161404951382 0    941381 0      C-13-H3C(O)CH3
 1022742.8428  0.1695 -5.3927 3 1763.9366F28  595161404951482 0    941381 0      C-13-H3C(O)CH3
 1022742.8428  0.1695 -5.3927 3 1763.9366F28  595161404951382 0    941481 0      C-13-H3C(O)CH3
 1022742.8428  0.1695 -5.9245 3 1763.9366F28  595161404951482 0    941481 0      C-13-H3C(O)CH3
 1022750.4334  0.1447 -5.4317 3 1518.8221C56  595161404783346 1    773345 1      C-13-H3C(O)CH3
 1022750.4334  0.1447 -5.4317 3 1518.8221C56  595161404783246 1    773245 1      C-13-H3C(O)CH3
 1022750.4334  0.1447 -5.3328 3 1518.8221C56  595161404783346 1    773245 1      C-13-H3C(O)CH3
 1022750.4334  0.1447 -5.3328 3 1518.8221C56  595161404783246 1    773345 1      C-13-H3C(O)CH3
 1022753.0343  0.1451 -5.2176 3 1518.8250C56  595161404783346 2    773345 2      C-13-H3C(O)CH3
 1022753.0343  0.1451 -5.2176 3 1518.8250C56  595161404783246 2    773245 2      C-13-H3C(O)CH3
 1022753.0343  0.1451 -5.6402 3 1518.8250C56  595161404783246 2    773345 2      C-13-H3C(O)CH3
 1022753.0343  0.1451 -5.6402 3 1518.8250C56  595161404783346 2    773245 2      C-13-H3C(O)CH3
 1022769.1761  0.1678 -5.3369 3 1763.9531F28  595161404951482 1    941481 1      C-13-H3C(O)CH3
 1022769.1761  0.1678 -5.3369 3 1763.9531F28  595161404951382 1    941381 1      C-13-H3C(O)CH3
 1022770.8379  0.1742 -5.8318 3 1763.9533F28  595161404951482 2    941481 2      C-13-H3C(O)CH3
 1022770.8379  0.1742 -5.4242 3 1763.9533F28  595161404951482 2    941381 2      C-13-H3C(O)CH3
 1022770.8379  0.1742 -5.8318 3 1763.9533F28  595161404951382 2    941381 2      C-13-H3C(O)CH3
 1022770.8379  0.1742 -5.4242 3 1763.9533F28  595161404951382 2    941481 2      C-13-H3C(O)CH3
 1022772.9001  0.1469 -5.1439 3 1518.8076C56  595161404783346 0    773245 0      C-13-H3C(O)CH3
 1022772.9001  0.1469 -5.9321 3 1518.8076C56  595161404783346 0    773345 0      C-13-H3C(O)CH3
 1022772.9001  0.1469 -5.9321 3 1518.8076C56  595161404783246 0    773245 0      C-13-H3C(O)CH3
 1022772.9001  0.1469 -5.1439 3 1518.8076C56  595161404783246 0    773345 0      C-13-H3C(O)CH3
 1022775.3303  0.5226 -4.7964 3 1142.1598A48  595161404653927 0    643826 0      C-13-H3C(O)CH3
 1022797.2018  0.1520 -5.7897 3 1763.9698764  595161404951482 3    941481 3      C-13-H3C(O)CH3
 1022797.2018  0.1520 -5.7897 3 1763.9698764  595161404951382 3    941381 3      C-13-H3C(O)CH3
 1022797.2322  0.1520 -5.5848 3 1763.9699764  595161404951482 4    941481 4      C-13-H3C(O)CH3
 1022797.2322  0.1520 -5.5942 3 1763.9699764  595161404951382 4    941381 4      C-13-H3C(O)CH3
 1022830.0680  0.0116 -4.1566 3  493.7629728  595161404451926 2    441827 2      C-13-H3C(O)CH3
 1022830.0723  0.0116 -4.1566 3  493.7629728  595161404452026 2    441727 2      C-13-H3C(O)CH3
 1022832.6465  0.0336 -5.5674 3  477.8578340  595161404422914 3    412616 3      C-13-H3C(O)CH3
 1022834.6634  0.0101 -4.1565 3  493.7644728  595161404451926 1    441827 1      C-13-H3C(O)CH3
 1022834.6676  0.0101 -4.1565 3  493.7644728  595161404452026 1    441727 1      C-13-H3C(O)CH3
 1022867.0935  0.4266 -4.5935 3 1041.5364A00  595161404623825 2    613724 2      C-13-H3C(O)CH3
 1022924.5318  0.0130 -4.4573 3  493.7374364  595161404451926 3    441827 3      C-13-H3C(O)CH3
 1022924.5366  0.0130 -4.4573 3  493.7374364  595161404452026 3    441727 3      C-13-H3C(O)CH3
 1022924.5694  0.0130 -4.4572 3  493.7374364  595161404451926 4    441827 4      C-13-H3C(O)CH3
 1022924.5741  0.0130 -4.4572 3  493.7374364  595161404452026 4    441727 4      C-13-H3C(O)CH3
 1022929.3853  0.0277 -5.0184 3  477.8734680  595161404422913 1    412616 1      C-13-H3C(O)CH3
 1022965.3288  0.3037 -4.5932 3 1041.5332A00  595161404623825 1    613724 1      C-13-H3C(O)CH3
 1023100.9187  0.1627 -5.6135 3 1690.4086708  595161404882267 3    872166 3      C-13-H3C(O)CH3
 1023100.9187  0.1627 -5.5607 3 1690.4086708  595161404882167 3    872266 3      C-13-H3C(O)CH3
 1023100.9188  0.1627 -5.6719 3 1690.4086708  595161404882167 4    872166 4      C-13-H3C(O)CH3
 1023100.9188  0.1627 -5.5321 3 1690.4086708  595161404882267 4    872166 4      C-13-H3C(O)CH3
 1023102.2285  0.2180 -5.5708 3 1690.3850E16  595161404882167 1    872266 1      C-13-H3C(O)CH3
 1023102.2285  0.2180 -5.4939 3 1690.3850E16  595161404882267 1    872266 1      C-13-H3C(O)CH3
 1023102.2285  0.2180 -5.5708 3 1690.3850E16  595161404882267 1    872166 1      C-13-H3C(O)CH3
 1023102.2285  0.2180 -5.4939 3 1690.3850E16  595161404882167 1    872166 1      C-13-H3C(O)CH3
 1023107.6792  0.2205 -5.3542 3 1690.3875E16  595161404882267 2    872166 2      C-13-H3C(O)CH3
 1023107.6792  0.2205 -5.8328 3 1690.3875E16  595161404882267 2    872266 2      C-13-H3C(O)CH3
 1023107.6792  0.2205 -5.8328 3 1690.3875E16  595161404882167 2    872166 2      C-13-H3C(O)CH3
 1023107.6792  0.2205 -5.3542 3 1690.3875E16  595161404882167 2    872266 2      C-13-H3C(O)CH3
 1023108.9968  0.2060 -5.3384 3 1690.3639E16  595161404882167 0    872266 0      C-13-H3C(O)CH3
 1023108.9968  0.2060 -5.8840 3 1690.3639E16  595161404882167 0    872166 0      C-13-H3C(O)CH3
 1023108.9968  0.2060 -5.8840 3 1690.3639E16  595161404882267 0    872266 0      C-13-H3C(O)CH3
 1023108.9968  0.2060 -5.3384 3 1690.3639E16  595161404882267 0    872166 0      C-13-H3C(O)CH3
 1023270.3021  0.0412 -5.2594 3  477.8578340  595161404422913 3    412616 3      C-13-H3C(O)CH3
 1023304.2368  0.1012 -5.3057 3 1401.4091588  595161404733736 4    723835 4      C-13-H3C(O)CH3
 1023304.2750  0.1012 -5.3057 3 1401.4090588  595161404733736 3    723835 3      C-13-H3C(O)CH3
 1023308.8400  0.1009 -5.3057 3 1401.4090588  595161404733836 4    723735 4      C-13-H3C(O)CH3
 1023308.8863  0.1009 -5.3057 3 1401.4089588  595161404733836 3    723735 3      C-13-H3C(O)CH3
 1023310.1672  0.1333 -5.4031 3 1540.4017636  595161404793148 4    783247 4      C-13-H3C(O)CH3
 1023310.1672  0.1333 -5.4031 3 1540.4017636  595161404793248 4    783147 4      C-13-H3C(O)CH3
 1023310.2056  0.1333 -5.3990 3 1540.4017636  595161404793248 3    783247 3      C-13-H3C(O)CH3
 1023310.2056  0.1333 -5.3990 3 1540.4017636  595161404793148 3    783147 3      C-13-H3C(O)CH3
 1023312.8319  0.1091 -5.0046 3 1401.3972B76  595161404733736 2    723835 2      C-13-H3C(O)CH3
 1023314.6250  0.1081 -5.0046 3 1401.3938B76  595161404733736 1    723835 1      C-13-H3C(O)CH3
 1023316.8963  0.1090 -5.0046 3 1401.3971B76  595161404733836 2    723735 2      C-13-H3C(O)CH3
 1023319.1299  0.1082 -5.0046 3 1401.3937B76  595161404733836 1    723735 1      C-13-H3C(O)CH3
 1023323.1706  0.1113 -5.0046 3 1401.3820B76  595161404733736 0    723835 0      C-13-H3C(O)CH3
 1023327.1393  0.1116 -5.0046 3 1401.3819B76  595161404733836 0    723735 0      C-13-H3C(O)CH3
 1023329.8957  0.1526 -5.0982 3 1540.3838C72  595161404793248 1    783147 1      C-13-H3C(O)CH3
 1023329.8957  0.1526 -5.0982 3 1540.3838C72  595161404793148 1    783247 1      C-13-H3C(O)CH3
 1023333.0430  0.1527 -5.1324 3 1540.3868C72  595161404793148 2    783147 2      C-13-H3C(O)CH3
 1023333.0430  0.1527 -5.1324 3 1540.3868C72  595161404793248 2    783247 2      C-13-H3C(O)CH3
 1023352.7157  0.1542 -5.1089 3 1540.3689C72  595161404793148 0    783247 0      C-13-H3C(O)CH3
 1023352.7157  0.1542 -5.1089 3 1540.3689C72  595161404793248 0    783147 0      C-13-H3C(O)CH3
 1023367.8602  0.0236 -3.9719 3  859.7873428  5951614045347 6 4    5246 6 4      C-13-H3C(O)CH3
 1023397.8297  0.0180 -3.6709 3  859.7702856  5951614045347 6 1    5246 6 1      C-13-H3C(O)CH3
 1023399.1341  0.0193 -3.6708 3  859.7513856  5951614045347 6 2    5246 6 2      C-13-H3C(O)CH3
 1023429.4607  0.0171 -3.6708 3  859.7341856  5951614045347 6 0    5246 6 0      C-13-H3C(O)CH3
 1023429.4607  0.0171 -3.6708 3  859.7341856  5951614045347 7 0    5246 7 0      C-13-H3C(O)CH3
 1023451.9533  0.0257 -3.9719 3  859.7805428  5951614045347 6 3    5246 6 3      C-13-H3C(O)CH3
 1023483.7856  0.0216 -3.6708 3  859.7444856  5951614045347 7 2    5246 7 2      C-13-H3C(O)CH3
 1023489.6043  0.0408 -5.0644 3  477.8729680  595161404422913 2    412616 2      C-13-H3C(O)CH3
 1023507.3732  0.0258 -3.9718 3  859.7690428  5951614045347 7 3    5246 7 3      C-13-H3C(O)CH3
 1023522.2463  0.6309 -4.7956 3 1142.1491A48  595161404653927 2    643826 2      C-13-H3C(O)CH3
 1023537.9520  0.0205 -3.6707 3  859.7519856  5951614045347 7 1    5246 7 1      C-13-H3C(O)CH3
 1023559.2644  0.0118 -4.6818 3  375.1691340  595161404421131 4    411032 4      C-13-H3C(O)CH3
 1023559.2644  0.0118 -4.6818 3  375.1691340  595161404421231 4    41 932 4      C-13-H3C(O)CH3
 1023559.8104  0.0114 -4.6718 3  375.1691340  595161404421131 3    41 932 3      C-13-H3C(O)CH3
 1023559.8104  0.0114 -4.6718 3  375.1691340  595161404421231 3    411032 3      C-13-H3C(O)CH3
 1023591.7418  0.0314 -3.9718 3  859.7622428  5951614045347 7 4    5246 7 4      C-13-H3C(O)CH3
 1023628.1072  0.3446 -4.9599 3 1280.9130B12  595161404694030 0    683929 0      C-13-H3C(O)CH3
 1023688.5034  0.0114 -4.7789 3  375.1923680  595161404421131 2    411032 2      C-13-H3C(O)CH3
 1023688.5034  0.0114 -4.7789 3  375.1923680  595161404421231 2    41 932 2      C-13-H3C(O)CH3
 1023688.5034  0.0114 -4.5811 3  375.1923680  595161404421231 2    411032 2      C-13-H3C(O)CH3
 1023688.5034  0.0114 -4.5811 3  375.1923680  595161404421131 2    41 932 2      C-13-H3C(O)CH3
 1023692.7434  0.0116 -4.6392 3  375.1931680  595161404421231 1    41 932 1      C-13-H3C(O)CH3
 1023692.7434  0.0116 -4.7007 3  375.1931680  595161404421131 1    41 932 1      C-13-H3C(O)CH3
 1023692.7434  0.0116 -4.6392 3  375.1931680  595161404421131 1    411032 1      C-13-H3C(O)CH3
 1023692.7434  0.0116 -4.7007 3  375.1931680  595161404421231 1    411032 1      C-13-H3C(O)CH3
 1023756.4871  0.4642 -4.7953 3 1142.1400A48  595161404653927 1    643826 1      C-13-H3C(O)CH3
 1023762.0031  0.3481 -4.8926 3 1041.5236500  595161404623825 4    613724 4      C-13-H3C(O)CH3
 1023810.4483  0.3790 -4.8918 3 1041.5228500  595161404623825 3    613724 3      C-13-H3C(O)CH3
 1023821.2518  0.0099 -4.3751 3  375.2162680  595161404421231 0    41 932 0      C-13-H3C(O)CH3
 1023821.2518  0.0099 -4.3697 3  375.2162680  595161404421131 0    411032 0      C-13-H3C(O)CH3
 1023851.4733  0.3703 -4.9600 3 1280.9182B12  595161404694030 2    683929 2      C-13-H3C(O)CH3
 1023940.2802  0.1607 -5.5384 3 1774.9625F44  595161404961284 0    951383 0      C-13-H3C(O)CH3
 1023940.2802  0.1607 -5.6529 3 1774.9625F44  595161404961284 0    951283 0      C-13-H3C(O)CH3
 1023940.2802  0.1607 -5.5384 3 1774.9625F44  595161404961384 0    951283 0      C-13-H3C(O)CH3
 1023940.2802  0.1607 -5.6529 3 1774.9625F44  595161404961384 0    951383 0      C-13-H3C(O)CH3
 1023970.1249  0.1573 -5.3554 3 1774.9760F44  595161404961284 1    951283 1      C-13-H3C(O)CH3
 1023970.1249  0.1573 -5.3554 3 1774.9760F44  595161404961384 1    951383 1      C-13-H3C(O)CH3
 1023971.2301  0.1609 -5.3724 3 1774.9760F44  595161404961384 2    951383 2      C-13-H3C(O)CH3
 1023971.2301  0.1609 -5.3724 3 1774.9760F44  595161404961284 2    951283 2      C-13-H3C(O)CH3
 1023991.1863  0.0336 -5.7654 3  916.3030936  595161404583722 2    573622 2      C-13-H3C(O)CH3
 1023991.8955  0.0380 -5.8512 3  916.3023936  595161404583722 1    573622 1      C-13-H3C(O)CH3
 1023994.3652  0.1383 -5.4412 3 1561.3682644  595161404803050 4    793049 4      C-13-H3C(O)CH3
 1023994.3652  0.1383 -5.4412 3 1561.3682644  595161404803150 4    793149 4      C-13-H3C(O)CH3
 1023994.4005  0.1383 -5.4277 3 1561.3681644  595161404803050 3    793149 3      C-13-H3C(O)CH3
 1023994.4005  0.1383 -5.4277 3 1561.3681644  595161404803150 3    793049 3      C-13-H3C(O)CH3
 1024001.1053  0.1494 -5.5943 3 1774.9895772  595161404961284 3    951283 3      C-13-H3C(O)CH3
 1024001.1053  0.1494 -5.5943 3 1774.9895772  595161404961384 3    951383 3      C-13-H3C(O)CH3
 1024001.1390  0.1494 -5.9105 3 1774.9895772  595161404961384 4    951283 4      C-13-H3C(O)CH3
 1024001.1390  0.1494 -5.8761 3 1774.9895772  595161404961384 4    951383 4      C-13-H3C(O)CH3
 1024001.1390  0.1494 -5.8761 3 1774.9895772  595161404961284 4    951283 4      C-13-H3C(O)CH3
 1024001.1390  0.1494 -5.9105 3 1774.9895772  595161404961284 4    951383 4      C-13-H3C(O)CH3
 1024013.5696  0.1607 -5.7578 3 1561.3498C88  595161404803150 1    793049 1      C-13-H3C(O)CH3
 1024013.5696  0.1607 -5.2301 3 1561.3498C88  595161404803150 1    793149 1      C-13-H3C(O)CH3
 1024013.5696  0.1607 -5.7578 3 1561.3498C88  595161404803050 1    793149 1      C-13-H3C(O)CH3
 1024013.5696  0.1607 -5.2301 3 1561.3498C88  595161404803050 1    793049 1      C-13-H3C(O)CH3
 1024017.2158  0.1605 -5.1174 3 1561.3528C88  595161404803050 2    793049 2      C-13-H3C(O)CH3
 1024017.2158  0.1605 -5.1174 3 1561.3528C88  595161404803150 2    793149 2      C-13-H3C(O)CH3
 1024019.6307  0.3024 -4.9601 3 1280.9088B12  595161404694030 1    683929 1      C-13-H3C(O)CH3
 1024036.3695  0.1616 -5.7102 3 1561.3345C88  595161404803150 0    793149 0      C-13-H3C(O)CH3
 1024036.3695  0.1616 -5.7226 3 1561.3345C88  595161404803050 0    793049 0      C-13-H3C(O)CH3
 1024036.3695  0.1616 -5.2452 3 1561.3345C88  595161404803050 0    793149 0      C-13-H3C(O)CH3
 1024036.3695  0.1616 -5.2410 3 1561.3345C88  595161404803150 0    793049 0      C-13-H3C(O)CH3
 1024095.0571  0.0492 -5.4082 3  477.8557340  595161404422913 4    412616 4      C-13-H3C(O)CH3
 1024097.3060  0.0352 -5.5262 3  916.3203468  595161404583722 4    573622 4      C-13-H3C(O)CH3
 1024184.3234  0.2218 -5.3597 3 1705.7250E32  595161404892069 1    882168 1      C-13-H3C(O)CH3
 1024184.3234  0.2218 -5.8824 3 1705.7250E32  595161404892169 1    882168 1      C-13-H3C(O)CH3
 1024184.3234  0.2218 -5.8824 3 1705.7250E32  595161404892069 1    882068 1      C-13-H3C(O)CH3
 1024184.3234  0.2218 -5.3597 3 1705.7250E32  595161404892169 1    882068 1      C-13-H3C(O)CH3
 1024185.9926  0.1647 -5.5540 3 1705.7490716  595161404892169 3    882068 3      C-13-H3C(O)CH3
 1024185.9926  0.1647 -5.5540 3 1705.7490716  595161404892069 3    882168 3      C-13-H3C(O)CH3
 1024185.9965  0.1647 -5.6017 3 1705.7490716  595161404892169 4    882168 4      C-13-H3C(O)CH3
 1024185.9965  0.1647 -5.6017 3 1705.7490716  595161404892069 4    882068 4      C-13-H3C(O)CH3
 1024187.9448  0.2089 -5.7362 3 1705.7034E32  595161404892169 0    882168 0      C-13-H3C(O)CH3
 1024187.9448  0.2089 -5.4152 3 1705.7034E32  595161404892069 0    882168 0      C-13-H3C(O)CH3
 1024187.9448  0.2089 -5.4152 3 1705.7034E32  595161404892169 0    882068 0      C-13-H3C(O)CH3
 1024187.9448  0.2089 -5.7362 3 1705.7034E32  595161404892069 0    882068 0      C-13-H3C(O)CH3
 1024189.6034  0.2254 -5.5785 3 1705.7273E32  595161404892069 2    882168 2      C-13-H3C(O)CH3
 1024189.6034  0.2254 -5.5171 3 1705.7273E32  595161404892069 2    882068 2      C-13-H3C(O)CH3
 1024189.6034  0.2254 -5.5171 3 1705.7273E32  595161404892169 2    882168 2      C-13-H3C(O)CH3
 1024189.6034  0.2254 -5.5785 3 1705.7273E32  595161404892169 2    882068 2      C-13-H3C(O)CH3
 1024230.2812  0.0141 -5.7638 3  307.3706568  595161404351916 2    341619 2      C-13-H3C(O)CH3
 1024246.2288  0.2783 -5.2612 3 1280.9139556  595161404694030 4    683929 4      C-13-H3C(O)CH3
 1024247.8980  0.2858 -5.2612 3 1280.9139556  595161404694030 3    683929 3      C-13-H3C(O)CH3
 1024334.5147  0.0120 -5.7642 3  307.3966568  595161404351916 0    341619 0      C-13-H3C(O)CH3
 1024387.4180  0.0136 -5.7625 3  307.3737568  595161404351916 1    341619 1      C-13-H3C(O)CH3
 1024498.5119  0.5211 -5.0956 3 1142.1295524  595161404653927 4    643826 4      C-13-H3C(O)CH3
 1024511.9035  0.5378 -5.0955 3 1142.1293524  595161404653927 3    643826 3      C-13-H3C(O)CH3
 1024760.3444  0.1431 -5.4812 3 1581.7498652  595161404812952 4    802951 4      C-13-H3C(O)CH3
 1024760.3444  0.1431 -5.4812 3 1581.7498652  595161404813052 4    803051 4      C-13-H3C(O)CH3
 1024760.3764  0.1431 -5.4389 3 1581.7498652  595161404813052 3    803051 3      C-13-H3C(O)CH3
 1024760.3764  0.1431 -5.4389 3 1581.7498652  595161404812952 3    802951 3      C-13-H3C(O)CH3
 1024778.7436  0.1690 -5.1393 3 1581.7309D04  595161404813052 1    802951 1      C-13-H3C(O)CH3
 1024778.7436  0.1690 -5.1393 3 1581.7309D04  595161404812952 1    803051 1      C-13-H3C(O)CH3
 1024782.8458  0.1686 -5.8633 3 1581.7340D04  595161404813052 2    802951 2      C-13-H3C(O)CH3
 1024782.8458  0.1686 -5.2274 3 1581.7340D04  595161404812952 2    802951 2      C-13-H3C(O)CH3
 1024782.8458  0.1686 -5.2274 3 1581.7340D04  595161404813052 2    803051 2      C-13-H3C(O)CH3
 1024782.8458  0.1686 -5.8633 3 1581.7340D04  595161404812952 2    803051 2      C-13-H3C(O)CH3
 1024801.1996  0.1689 -5.3911 3 1581.7152D04  595161404812952 0    803051 0      C-13-H3C(O)CH3
 1024801.1996  0.1689 -5.4907 3 1581.7152D04  595161404812952 0    802951 0      C-13-H3C(O)CH3
 1024801.1996  0.1689 -5.4907 3 1581.7152D04  595161404813052 0    803051 0      C-13-H3C(O)CH3
 1024801.1996  0.1689 -5.3911 3 1581.7152D04  595161404813052 0    802951 0      C-13-H3C(O)CH3
 1024925.6585  0.2156 -4.9845 3 1314.9040B28  595161404704031 0    693930 0      C-13-H3C(O)CH3
 1024932.1009  1.7478 -5.7097 3 1488.0171B92  595161404744430 1    734529 1      C-13-H3C(O)CH3
 1024999.0598  0.0211 -4.0324 3  867.0197436  595161404544510 4    5344 9 4      C-13-H3C(O)CH3
 1025028.6060  0.2084 -4.9846 3 1314.9134B28  595161404704031 2    693930 2      C-13-H3C(O)CH3
 1025043.7368  0.0179 -3.7313 3  866.9930872  595161404544510 2    534410 2      C-13-H3C(O)CH3
 1025076.2213  0.0146 -3.7312 3  867.0019872 -5951614045445 9 1    5344 9 1      C-13-H3C(O)CH3
 1025101.8897  0.0962 -5.3041 3 1375.7251580  595161404723834 3    713933 3      C-13-H3C(O)CH3
 1025101.9129  0.0961 -5.3041 3 1375.7252580  595161404723834 4    713933 4      C-13-H3C(O)CH3
 1025104.0084  0.1020 -5.0030 3 1375.7148B60  595161404723834 2    713933 2      C-13-H3C(O)CH3
 1025105.2004  0.1004 -5.0030 3 1375.7109B60  595161404723834 1    713933 1      C-13-H3C(O)CH3
 1025107.2500  0.1032 -5.0029 3 1375.7005B60  595161404723834 0    713933 0      C-13-H3C(O)CH3
 1025107.9082  0.0148 -4.8668 3  331.8218332  59516140441 933 4    40 734 4      C-13-H3C(O)CH3
 1025107.9082  0.0148 -4.8668 3  331.8218332  59516140441 833 4    40 634 4      C-13-H3C(O)CH3
 1025108.1154  0.0213 -4.0324 3  867.0272436  5951614045445 9 3    5344 9 3      C-13-H3C(O)CH3
 1025108.5809  0.0138 -4.9345 3  331.8218332  59516140441 933 3    40 634 3      C-13-H3C(O)CH3
 1025108.5809  0.0138 -5.6631 3  331.8218332  59516140441 933 3    40 734 3      C-13-H3C(O)CH3
 1025108.5809  0.0138 -4.9345 3  331.8218332  59516140441 833 3    40 734 3      C-13-H3C(O)CH3
 1025108.5809  0.0138 -5.6631 3  331.8218332  59516140441 833 3    40 634 3      C-13-H3C(O)CH3
 1025120.8315  0.0133 -3.7312 3  866.9750872  595161404544510 0    534410 0      C-13-H3C(O)CH3
 1025120.8315  0.0133 -3.7312 3  866.9750872  5951614045445 9 0    5344 9 0      C-13-H3C(O)CH3
 1025123.9502  0.1863 -4.9847 3 1314.9060B28  595161404704031 1    693930 1      C-13-H3C(O)CH3
 1025124.4158  0.0224 -4.0324 3  867.0112436  595161404544510 3    534410 3      C-13-H3C(O)CH3
 1025152.4680  0.1531 -5.3688 3 1785.4608F60  595161404971286 0    961185 0      C-13-H3C(O)CH3
 1025152.4680  0.1531 -5.3688 3 1785.4608F60  595161404971186 0    961285 0      C-13-H3C(O)CH3
 1025153.1821  0.0165 -3.7313 3  867.0003872  5951614045445 9 2    5344 9 2      C-13-H3C(O)CH3
 1025185.0265  0.1508 -5.3601 3 1785.4704F60  595161404971286 1    961185 1      C-13-H3C(O)CH3
 1025185.0265  0.1508 -5.3601 3 1785.4704F60  595161404971186 1    961285 1      C-13-H3C(O)CH3
 1025185.6469  0.1503 -5.3670 3 1785.4702F60  595161404971186 2    961285 2      C-13-H3C(O)CH3
 1025185.6469  0.1503 -5.3583 3 1785.4702F60  595161404971286 2    961185 2      C-13-H3C(O)CH3
 1025201.9605  0.0148 -3.7312 3  866.9933872 -595161404544510 1    534410 1      C-13-H3C(O)CH3
 1025217.8697  0.1004 -5.0029 3 1375.7119B60  595161404723934 2    713833 2      C-13-H3C(O)CH3
 1025218.2337  0.1463 -5.6021 3 1785.4797780  595161404971186 3    961285 3      C-13-H3C(O)CH3
 1025218.2337  0.1463 -5.6021 3 1785.4797780  595161404971286 3    961185 3      C-13-H3C(O)CH3
 1025218.2704  0.1463 -5.6645 3 1785.4797780  595161404971186 4    961285 4      C-13-H3C(O)CH3
 1025218.2704  0.1463 -5.6645 3 1785.4797780  595161404971286 4    961185 4      C-13-H3C(O)CH3
 1025218.3004  0.1069 -5.0028 3 1375.6977B60  595161404723934 0    713833 0      C-13-H3C(O)CH3
 1025225.6131  0.0913 -5.3040 3 1375.7220580  595161404723934 4    713833 4      C-13-H3C(O)CH3
 1025225.6924  0.0912 -5.3040 3 1375.7220580  595161404723934 3    713833 3      C-13-H3C(O)CH3
 1025225.9993  0.1018 -5.0029 3 1375.7078B60  595161404723934 1    713833 1      C-13-H3C(O)CH3
 1025228.7309  0.1430 -5.2859 3 1314.9154564  595161404704031 4    693930 4      C-13-H3C(O)CH3
 1025229.5625  0.1473 -5.2859 3 1314.9153564  595161404704031 3    693930 3      C-13-H3C(O)CH3
 1025234.0584  0.0234 -4.0323 3  867.0186436  5951614045445 9 4    534410 4      C-13-H3C(O)CH3
 1025284.5273  0.2237 -5.2626 3 1720.5244E48  595161404902071 1    892070 1      C-13-H3C(O)CH3
 1025284.5273  0.2237 -5.2626 3 1720.5244E48  595161404901971 1    891970 1      C-13-H3C(O)CH3
 1025284.6565  0.2105 -5.2759 3 1720.5024E48  595161404902071 0    892070 0      C-13-H3C(O)CH3
 1025284.6565  0.2105 -5.2759 3 1720.5024E48  595161404901971 0    891970 0      C-13-H3C(O)CH3
 1025286.0351  0.0218 -5.4598 3  405.3144308  5951614043830 9 3    372710 3      C-13-H3C(O)CH3
 1025289.4232  0.1664 -5.6560 3 1720.5485724  595161404902071 3    892070 3      C-13-H3C(O)CH3
 1025289.4232  0.1664 -5.6560 3 1720.5485724  595161404901971 3    891970 3      C-13-H3C(O)CH3
 1025289.4309  0.1664 -5.7012 3 1720.5485724  595161404902071 4    892070 4      C-13-H3C(O)CH3
 1025289.4309  0.1664 -5.7012 3 1720.5485724  595161404901971 4    891970 4      C-13-H3C(O)CH3
 1025289.5389  0.2286 -5.7007 3 1720.5265E48  595161404901971 2    891970 2      C-13-H3C(O)CH3
 1025289.5389  0.2286 -5.4573 3 1720.5265E48  595161404902071 2    891970 2      C-13-H3C(O)CH3
 1025289.5389  0.2286 -5.7007 3 1720.5265E48  595161404902071 2    892070 2      C-13-H3C(O)CH3
 1025289.5389  0.2286 -5.4573 3 1720.5265E48  595161404901971 2    892070 2      C-13-H3C(O)CH3
 1025348.7509  0.0195 -5.1613 3  405.3161616  5951614043830 9 1    372711 1      C-13-H3C(O)CH3
 1025375.1586  0.0230 -5.4621 3  405.2944308  5951614043830 9 4    372711 4      C-13-H3C(O)CH3
 1025436.1067  0.0121 -5.8490 3  331.8309664  59516140441 933 2    40 634 2      C-13-H3C(O)CH3
 1025436.1067  0.0121 -5.8490 3  331.8309664  59516140441 833 2    40 734 2      C-13-H3C(O)CH3
 1025436.1067  0.0121 -4.5816 3  331.8309664  59516140441 833 2    40 634 2      C-13-H3C(O)CH3
 1025436.1067  0.0121 -4.5816 3  331.8309664  59516140441 933 2    40 734 2      C-13-H3C(O)CH3
 1025439.6373  0.0127 -4.5589 3  331.8315664  59516140441 933 1    40 734 1      C-13-H3C(O)CH3
 1025439.6373  0.0127 -4.5589 3  331.8315664  59516140441 833 1    40 634 1      C-13-H3C(O)CH3
 1025494.2595  0.0194 -5.1610 3  405.3461616  5951614043830 8 2    372710 2      C-13-H3C(O)CH3
 1025555.2058  0.0187 -5.1635 3  405.3477616  5951614043830 9 0    372710 0      C-13-H3C(O)CH3
 1025566.9303  0.0187 -5.1635 3  405.3473616  5951614043830 8 0    372711 0      C-13-H3C(O)CH3
 1025587.0035  0.0191 -5.1634 3  405.3261616  5951614043830 9 2    372711 2      C-13-H3C(O)CH3
 1025591.5951  0.1477 -5.6967 3 1601.5554660  595161404822954 4    812853 4      C-13-H3C(O)CH3
 1025591.5951  0.1477 -5.8316 3 1601.5554660  595161404822954 4    812953 4      C-13-H3C(O)CH3
 1025591.5951  0.1477 -5.8316 3 1601.5554660  595161404822854 4    812853 4      C-13-H3C(O)CH3
 1025591.5951  0.1477 -5.6967 3 1601.5554660  595161404822854 4    812953 4      C-13-H3C(O)CH3
 1025591.6238  0.1477 -5.4779 3 1601.5554660  595161404822854 3    812953 3      C-13-H3C(O)CH3
 1025591.6238  0.1477 -5.4779 3 1601.5554660  595161404822954 3    812853 3      C-13-H3C(O)CH3
 1025608.0600  0.0243 -5.4594 3  405.3256308  5951614043830 8 4    372710 4      C-13-H3C(O)CH3
 1025608.9346  0.1774 -5.4314 3 1601.5360D20  595161404822854 1    812953 1      C-13-H3C(O)CH3
 1025608.9346  0.1774 -5.4860 3 1601.5360D20  595161404822954 1    812953 1      C-13-H3C(O)CH3
 1025608.9346  0.1774 -5.4860 3 1601.5360D20  595161404822854 1    812853 1      C-13-H3C(O)CH3
 1025608.9346  0.1774 -5.4314 3 1601.5360D20  595161404822954 1    812853 1      C-13-H3C(O)CH3
 1025613.4500  0.1768 -5.2304 3 1601.5391D20  595161404822854 2    812853 2      C-13-H3C(O)CH3
 1025613.4500  0.1768 -5.2304 3 1601.5391D20  595161404822954 2    812953 2      C-13-H3C(O)CH3
 1025630.7497  0.1760 -5.1578 3 1601.5197D20  595161404822954 0    812853 0      C-13-H3C(O)CH3
 1025630.7497  0.1760 -5.1578 3 1601.5197D20  595161404822854 0    812953 0      C-13-H3C(O)CH3
 1025669.6106  0.0198 -5.1611 3  405.3273616  5951614043830 8 1    372710 1      C-13-H3C(O)CH3
 1025700.0846  0.0222 -5.4620 3  405.3057308  5951614043830 8 3    372711 3      C-13-H3C(O)CH3
 1025766.6059  0.0115 -4.5590 3  331.8407664  59516140441 933 0    40 634 0      C-13-H3C(O)CH3
 1025766.6059  0.0115 -4.5590 3  331.8407664  59516140441 833 0    40 734 0      C-13-H3C(O)CH3
 1025810.9714  2.3517 -5.7078 3 1488.0110B92  595161404744430 2    734529 2      C-13-H3C(O)CH3
 1026005.7238  0.0235 -5.2398 3  287.8387324  59516140440 635 4    39 436 4      C-13-H3C(O)CH3
 1026005.7238  0.0235 -5.2398 3  287.8387324  59516140440 535 4    39 336 4      C-13-H3C(O)CH3
 1026006.0783  0.0219 -5.8900 3  287.8386324  59516140440 635 3    39 336 3      C-13-H3C(O)CH3
 1026006.0783  0.0219 -5.3051 3  287.8386324  59516140440 635 3    39 436 3      C-13-H3C(O)CH3
 1026006.0783  0.0219 -5.3051 3  287.8386324  59516140440 535 3    39 336 3      C-13-H3C(O)CH3
 1026006.0783  0.0219 -5.8900 3  287.8386324  59516140440 535 3    39 436 3      C-13-H3C(O)CH3
 1026229.1320  1.8640 -5.7070 3 1487.9972B92  595161404744430 0    734529 0      C-13-H3C(O)CH3
 1026238.2250  0.0196 -4.0137 3  900.2171920  595161404573919 0    563818 0      C-13-H3C(O)CH3
 1026269.8044  0.0215 -4.1049 3  876.0446444  595161404554313 4    544213 4      C-13-H3C(O)CH3
 1026271.2391  0.0254 -4.3159 3  900.3188460  595161404573918 4    563818 4      C-13-H3C(O)CH3
 1026273.4189  0.0198 -4.0167 3  900.2719920  595161404573918 2    563818 2      C-13-H3C(O)CH3
 1026294.9651  0.0203 -4.0183 3  900.2627920  595161404573918 1    563818 1      C-13-H3C(O)CH3
 1026311.4379  0.2045 -5.1666 3  900.2969460  595161404573919 3    563818 3      C-13-H3C(O)CH3
 1026330.7041  0.0180 -3.8037 3  876.0167888  595161404554313 2    544213 2      C-13-H3C(O)CH3
 1026361.8552  0.0195 -4.0136 3  900.2142920  595161404573918 0    563819 0      C-13-H3C(O)CH3
 1026372.5360  0.0135 -3.8036 3  876.0139888  595161404554313 1    544212 1      C-13-H3C(O)CH3
 1026379.9312  0.1478 -5.3430 3 1795.4328F76  595161404981088 0    971187 0      C-13-H3C(O)CH3
 1026379.9312  0.1478 -5.3430 3 1795.4328F76  595161404981188 0    971087 0      C-13-H3C(O)CH3
 1026397.8689  0.2105 -5.3331 3 1734.7630E64  595161404911973 0    901972 0      C-13-H3C(O)CH3
 1026397.8689  0.2105 -5.2984 3 1734.7630E64  595161404911873 0    901872 0      C-13-H3C(O)CH3
 1026401.5597  0.2232 -5.8200 3 1734.7852E64  595161404911873 1    901872 1      C-13-H3C(O)CH3
 1026401.5597  0.2232 -5.8200 3 1734.7852E64  595161404911973 1    901972 1      C-13-H3C(O)CH3
 1026401.5597  0.2232 -5.4220 3 1734.7852E64  595161404911873 1    901972 1      C-13-H3C(O)CH3
 1026401.5597  0.2232 -5.4220 3 1734.7852E64  595161404911973 1    901872 1      C-13-H3C(O)CH3
 1026406.2069  0.2294 -5.3526 3 1734.7870E64  595161404911873 2    901872 2      C-13-H3C(O)CH3
 1026406.2069  0.2294 -5.3526 3 1734.7870E64  595161404911973 2    901972 2      C-13-H3C(O)CH3
 1026409.5219  0.0219 -4.1048 3  876.0419444  595161404554313 3    544213 3      C-13-H3C(O)CH3
 1026409.9144  0.1675 -5.6584 3 1734.8092732  595161404911873 3    901972 3      C-13-H3C(O)CH3
 1026409.9144  0.1675 -5.6584 3 1734.8092732  595161404911973 3    901872 3      C-13-H3C(O)CH3
 1026409.9257  0.1675 -5.6309 3 1734.8093732  595161404911873 4    901972 4      C-13-H3C(O)CH3
 1026409.9257  0.1675 -5.6309 3 1734.8093732  595161404911973 4    901872 4      C-13-H3C(O)CH3
 1026414.0354  0.1506 -5.5141 3 1795.4373F76  595161404981088 1    971187 1      C-13-H3C(O)CH3
 1026414.0354  0.1506 -5.5141 3 1795.4373F76  595161404981188 1    971087 1      C-13-H3C(O)CH3
 1026414.0354  0.1506 -5.7318 3 1795.4373F76  595161404981188 1    971187 1      C-13-H3C(O)CH3
 1026414.0354  0.1506 -5.7318 3 1795.4373F76  595161404981088 1    971087 1      C-13-H3C(O)CH3
 1026414.2752  0.1453 -5.4495 3 1795.4370F76  595161404981088 2    971087 2      C-13-H3C(O)CH3
 1026414.2752  0.1453 -5.8654 3 1795.4370F76  595161404981088 2    971187 2      C-13-H3C(O)CH3
 1026414.2752  0.1453 -5.8654 3 1795.4370F76  595161404981188 2    971087 2      C-13-H3C(O)CH3
 1026414.2752  0.1453 -5.4495 3 1795.4370F76  595161404981188 2    971187 2      C-13-H3C(O)CH3
 1026424.0489  0.0196 -4.1047 3  876.0527444  595161404554312 3    544212 3      C-13-H3C(O)CH3
 1026433.3177  0.0110 -3.8034 3  875.9860888 -595161404554313 0    544212 0      C-13-H3C(O)CH3
 1026433.3177  0.0110 -3.8034 3  875.9860888 -595161404554312 0    544213 0      C-13-H3C(O)CH3
 1026442.2146  0.0302 -4.3803 3  900.2969460  595161404573918 3    563818 3      C-13-H3C(O)CH3
 1026448.4032  0.1429 -5.6137 3 1795.4415788  595161404981188 3    971087 3      C-13-H3C(O)CH3
 1026448.4032  0.1429 -5.6137 3 1795.4415788  595161404981088 3    971187 3      C-13-H3C(O)CH3
 1026448.4422  0.1429 -5.6559 3 1795.4415788  595161404981188 4    971187 4      C-13-H3C(O)CH3
 1026448.4422  0.1429 -5.6559 3 1795.4415788  595161404981088 4    971087 4      C-13-H3C(O)CH3
 1026475.9068  0.1521 -5.5555 3 1620.7921668  595161404832756 4    822755 4      C-13-H3C(O)CH3
 1026475.9068  0.1521 -5.5555 3 1620.7921668  595161404832856 4    822855 4      C-13-H3C(O)CH3
 1026475.9319  0.1521 -5.6090 3 1620.7920668  595161404832856 3    822855 3      C-13-H3C(O)CH3
 1026475.9319  0.1521 -5.6090 3 1620.7920668  595161404832756 3    822755 3      C-13-H3C(O)CH3
 1026476.8017  0.0191 -4.0177 3  900.2402920  595161404573919 1    563819 1      C-13-H3C(O)CH3
 1026485.0044  0.0150 -3.8036 3  876.0248888  595161404554312 2    544212 2      C-13-H3C(O)CH3
 1026487.2100  0.0202 -4.0160 3  900.2442920  595161404573919 2    563819 2      C-13-H3C(O)CH3
 1026490.0697  0.0304 -4.3801 3  900.2909460  595161404573919 3    563819 3      C-13-H3C(O)CH3
 1026491.9464  0.1859 -5.5031 3 1620.7721D36  595161404832856 1    822755 1      C-13-H3C(O)CH3
 1026491.9464  0.1859 -5.4533 3 1620.7721D36  595161404832856 1    822855 1      C-13-H3C(O)CH3
 1026491.9464  0.1859 -5.5031 3 1620.7721D36  595161404832756 1    822855 1      C-13-H3C(O)CH3
 1026491.9464  0.1859 -5.4533 3 1620.7721D36  595161404832756 1    822755 1      C-13-H3C(O)CH3
 1026496.8290  0.1852 -5.1793 3 1620.7752D36  595161404832756 2    822855 2      C-13-H3C(O)CH3
 1026496.8290  0.1852 -5.1793 3 1620.7752D36  595161404832856 2    822755 2      C-13-H3C(O)CH3
 1026512.2573  0.0130 -3.8035 3  876.0113888  595161404554312 1    544213 1      C-13-H3C(O)CH3
 1026512.8346  0.1831 -5.6716 3 1620.7552D36  595161404832756 0    822855 0      C-13-H3C(O)CH3
 1026512.8346  0.1831 -5.3438 3 1620.7552D36  595161404832756 0    822755 0      C-13-H3C(O)CH3
 1026512.8346  0.1831 -5.6716 3 1620.7552D36  595161404832856 0    822755 0      C-13-H3C(O)CH3
 1026512.8346  0.1831 -5.3438 3 1620.7552D36  595161404832856 0    822855 0      C-13-H3C(O)CH3
 1026564.2034  0.0204 -4.1047 3  876.0500444  595161404554312 4    544212 4      C-13-H3C(O)CH3
 1026620.8464  0.2073 -5.1664 3  900.2909460  595161404573918 3    563819 3      C-13-H3C(O)CH3
 1026635.9131  0.0197 -4.9415 3  287.8197648  59516140440 535 2    39 436 2      C-13-H3C(O)CH3
 1026635.9131  0.0197 -4.9415 3  287.8197648  59516140440 635 2    39 336 2      C-13-H3C(O)CH3
 1026638.1451  0.0216 -4.9777 3  287.8202648  59516140440 635 1    39 336 1      C-13-H3C(O)CH3
 1026638.1451  0.0216 -5.7042 3  287.8202648  59516140440 535 1    39 336 1      C-13-H3C(O)CH3
 1026638.1451  0.0216 -5.7042 3  287.8202648  59516140440 635 1    39 436 1      C-13-H3C(O)CH3
 1026638.1451  0.0216 -4.9777 3  287.8202648  59516140440 535 1    39 436 1      C-13-H3C(O)CH3
 1026661.1677  0.0296 -4.3146 3  900.2690460  595161404573919 4    563819 4      C-13-H3C(O)CH3
 1026752.5453  0.0443 -4.1884 3  630.9148792  595161404492722 2    482623 2      C-13-H3C(O)CH3
 1026753.3245  0.0451 -4.4893 3  630.9026396  595161404492722 3    482623 3      C-13-H3C(O)CH3
 1026755.5980  0.0457 -4.4893 3  630.9026396  595161404492722 4    482623 4      C-13-H3C(O)CH3
 1026791.3384  0.0257 -4.1886 3  630.9294792  595161404492722 0    482623 0      C-13-H3C(O)CH3
 1026794.2680  0.0247 -4.1884 3  630.9172792  595161404492722 1    482623 1      C-13-H3C(O)CH3
 1026919.0362  0.0209 -4.1949 3  887.0435452  595161404564116 4    554015 4      C-13-H3C(O)CH3
 1026974.7234  0.0171 -3.8936 3  887.0062904  595161404564116 2    554015 2      C-13-H3C(O)CH3
 1026986.8228  0.0390 -4.7156 3  547.0343728  595161404453016 0    442717 0      C-13-H3C(O)CH3
 1027009.5577  0.0153 -3.8935 3  886.9964904  595161404564115 1    554015 1      C-13-H3C(O)CH3
 1027065.3017  0.0117 -3.8932 3  886.9591904 -595161404564115 0    554016 0      C-13-H3C(O)CH3
 1027065.3017  0.0117 -3.8932 3  886.9591904 -595161404564116 0    554015 0      C-13-H3C(O)CH3
 1027085.8878  0.0223 -4.1946 3  887.0369452  595161404564116 3    554016 3      C-13-H3C(O)CH3
 1027115.9048  0.0213 -4.1945 3  887.0384452  595161404564115 3    554015 3      C-13-H3C(O)CH3
 1027171.5648  0.0170 -3.8932 3  887.0011904  595161404564115 2    554016 2      C-13-H3C(O)CH3
 1027176.2889  0.0154 -3.8932 3  886.9898904  595161404564116 1    554016 1      C-13-H3C(O)CH3
 1027201.0766  0.0103 -4.1471 3  527.9047744  595161404462125 0    452026 0      C-13-H3C(O)CH3
 1027201.2589  0.0103 -4.1471 3  527.9047744  595161404462225 0    451926 0      C-13-H3C(O)CH3
 1027266.7284  0.0184 -4.9356 3  287.8013648  59516140440 635 0    39 436 0      C-13-H3C(O)CH3
 1027266.7284  0.0184 -4.9356 3  287.8013648  59516140440 535 0    39 336 0      C-13-H3C(O)CH3
 1027282.8831  0.0251 -4.1942 3  887.0317452  595161404564115 4    554016 4      C-13-H3C(O)CH3
 1027298.1284  0.0318 -4.9959 3  465.3780680  595161404422616 2    412319 2      C-13-H3C(O)CH3
 1027302.7762  0.0140 -4.1469 3  527.8808744  595161404462125 2    452026 2      C-13-H3C(O)CH3
 1027302.9782  0.0140 -4.1469 3  527.8808744  595161404462225 2    451926 2      C-13-H3C(O)CH3
 1027308.0426  0.0109 -4.1468 3  527.8825744  595161404462125 1    452026 1      C-13-H3C(O)CH3
 1027308.2394  0.0109 -4.1468 3  527.8825744  595161404462225 1    451926 1      C-13-H3C(O)CH3
 1027317.2180  0.0356 -4.7878 3  547.0147728  595161404453016 1    442717 1      C-13-H3C(O)CH3
 1027369.1438  0.0360 -5.2948 3  465.3566340  595161404422616 3    412319 3      C-13-H3C(O)CH3
 1027391.5450  0.0332 -5.2952 3  465.3565340  595161404422616 4    412319 4      C-13-H3C(O)CH3
 1027401.1155  0.0205 -4.9998 3  465.4044680  595161404422616 0    412319 0      C-13-H3C(O)CH3
 1027404.1064  0.1562 -5.8554 3 1639.4656676  595161404842758 4    832657 4      C-13-H3C(O)CH3
 1027404.1064  0.1562 -5.7472 3 1639.4656676  595161404842658 4    832657 4      C-13-H3C(O)CH3
 1027404.1064  0.1562 -5.8554 3 1639.4656676  595161404842658 4    832757 4      C-13-H3C(O)CH3
 1027404.1064  0.1562 -5.7472 3 1639.4656676  595161404842758 4    832757 4      C-13-H3C(O)CH3
 1027404.1278  0.1563 -5.5653 3 1639.4656676  595161404842758 3    832757 3      C-13-H3C(O)CH3
 1027404.1278  0.1563 -5.5653 3 1639.4656676  595161404842658 3    832657 3      C-13-H3C(O)CH3
 1027409.9345  0.0153 -4.4475 3  527.8585372  595161404462125 3    452026 3      C-13-H3C(O)CH3
 1027410.0688  0.0154 -4.4475 3  527.8585372  595161404462125 4    452026 4      C-13-H3C(O)CH3
 1027410.1527  0.0153 -4.4475 3  527.8585372  595161404462225 3    451926 3      C-13-H3C(O)CH3
 1027410.2856  0.0154 -4.4475 3  527.8585372  595161404462225 4    451926 4      C-13-H3C(O)CH3
 1027411.9998  0.0363 -3.6191 3  863.9535840  5951614045250 2 1    5149 2 1      C-13-H3C(O)CH3
 1027418.6116  0.1944 -5.2265 3 1639.4450D52  595161404842658 1    832757 1      C-13-H3C(O)CH3
 1027418.6116  0.1944 -5.2265 3 1639.4450D52  595161404842758 1    832657 1      C-13-H3C(O)CH3
 1027423.4994  0.0361 -5.1378 3  441.1442664  595161404412516 2    402219 2      C-13-H3C(O)CH3
 1027423.8101  0.1938 -5.1995 3 1639.4481D52  595161404842658 2    832757 2      C-13-H3C(O)CH3
 1027423.8101  0.1938 -5.1995 3 1639.4481D52  595161404842758 2    832657 2      C-13-H3C(O)CH3
 1027435.0219  0.0434 -3.9202 3  863.9962420  5951614045250 2 4    5149 2 4      C-13-H3C(O)CH3
 1027438.2874  0.1900 -5.2416 3 1639.4275D52  595161404842758 0    832657 0      C-13-H3C(O)CH3
 1027438.2874  0.1900 -5.2416 3 1639.4275D52  595161404842658 0    832757 0      C-13-H3C(O)CH3
 1027465.1036  0.0604 -5.9270 3  243.1793632  59516140439 237 1    38 138 1      C-13-H3C(O)CH3
 1027465.1036  0.0604 -5.9270 3  243.1793632  59516140439 337 1    38 038 1      C-13-H3C(O)CH3
 1027475.3223  0.0340 -3.6189 3  863.8948840  5951614045250 2 0    5149 2 0      C-13-H3C(O)CH3
 1027475.3223  0.0340 -3.6189 3  863.8948840  5951614045250 3 0    5149 3 0      C-13-H3C(O)CH3
 1027480.4465  0.0216 -4.9978 3  465.3829680  595161404422616 1    412319 1      C-13-H3C(O)CH3
 1027487.8635  0.0401 -5.4368 3  441.1215332  595161404412516 3    402219 3      C-13-H3C(O)CH3
 1027495.2806  0.0384 -5.4369 3  441.1215332  595161404412516 4    402219 4      C-13-H3C(O)CH3
 1027497.8765  0.0360 -3.6190 3  863.9375840  5951614045250 2 2    5149 2 2      C-13-H3C(O)CH3
 1027512.4912  0.0127 -5.7632 3  307.3706568  595161404352016 2    341519 2      C-13-H3C(O)CH3
 1027526.6417  0.2086 -5.2976 3 1748.4871E80  595161404921875 0    911874 0      C-13-H3C(O)CH3
 1027526.6417  0.2086 -5.2976 3 1748.4871E80  595161404921775 0    911774 0      C-13-H3C(O)CH3
 1027534.4434  0.2201 -5.3428 3 1748.5092E80  595161404921775 1    911774 1      C-13-H3C(O)CH3
 1027534.4434  0.2201 -5.3428 3 1748.5092E80  595161404921875 1    911874 1      C-13-H3C(O)CH3
 1027538.6366  0.2275 -5.5691 3 1748.5107E80  595161404921875 2    911874 2      C-13-H3C(O)CH3
 1027538.6366  0.2275 -5.5691 3 1748.5107E80  595161404921775 2    911774 2      C-13-H3C(O)CH3
 1027538.6366  0.2275 -5.6140 3 1748.5107E80  595161404921875 2    911774 2      C-13-H3C(O)CH3
 1027538.6366  0.2275 -5.6140 3 1748.5107E80  595161404921775 2    911874 2      C-13-H3C(O)CH3
 1027546.4582  0.1681 -5.6737 3 1748.5329740  595161404921775 3    911874 3      C-13-H3C(O)CH3
 1027546.4582  0.1681 -5.6737 3 1748.5329740  595161404921875 3    911774 3      C-13-H3C(O)CH3
 1027546.4731  0.1681 -5.7391 3 1748.5329740  595161404921775 4    911774 4      C-13-H3C(O)CH3
 1027546.4731  0.1681 -5.6253 3 1748.5329740  595161404921875 4    911874 4      C-13-H3C(O)CH3
 1027554.0835  0.0477 -3.9200 3  863.9604420  5951614045250 3 3    5149 3 3      C-13-H3C(O)CH3
 1027557.7519  0.0115 -5.7635 3  307.3966568  595161404352016 0    341519 0      C-13-H3C(O)CH3
 1027595.5966  0.0123 -5.7618 3  307.3737568  595161404352016 1    341519 1      C-13-H3C(O)CH3
 1027612.5242  0.1225 -5.3181 3 1349.1133572  595161404713932 3    704031 3      C-13-H3C(O)CH3
 1027612.9869  0.1207 -5.3181 3 1349.1133572  595161404713932 4    704031 4      C-13-H3C(O)CH3
 1027616.8413  0.0454 -3.6188 3  863.9017840  5951614045250 3 2    5149 3 2      C-13-H3C(O)CH3
 1027621.5287  0.1107 -5.0169 3 1349.1004B44  595161404713932 1    704031 1      C-13-H3C(O)CH3
 1027621.8403  0.0421 -3.6189 3  863.9316840  5951614045250 3 1    5149 3 1      C-13-H3C(O)CH3
 1027623.3440  0.1454 -5.9019 3 1804.8795F92  595161404991090 0    981089 0      C-13-H3C(O)CH3
 1027623.3440  0.1454 -5.4465 3 1804.8795F92  595161404991090 0    98 989 0      C-13-H3C(O)CH3
 1027623.3440  0.1454 -5.9019 3 1804.8795F92  59516140499 990 0    98 989 0      C-13-H3C(O)CH3
 1027623.3440  0.1454 -5.4465 3 1804.8795F92  59516140499 990 0    981089 0      C-13-H3C(O)CH3
 1027644.8967  0.0464 -3.9199 3  863.9742420  5951614045250 2 3    5149 2 3      C-13-H3C(O)CH3
 1027648.8486  0.1270 -5.0168 3 1349.1046B44  595161404713932 2    704031 2      C-13-H3C(O)CH3
 1027656.8439  0.0217 -5.1418 3  441.1716664  595161404412516 0    402219 0      C-13-H3C(O)CH3
 1027656.9504  0.1083 -5.0166 3 1349.0918B44  595161404713932 0    704031 0      C-13-H3C(O)CH3
 1027657.3953  0.1476 -5.3164 3 1804.8776F92  595161404991090 2    981089 2      C-13-H3C(O)CH3
 1027657.3953  0.1476 -5.3164 3 1804.8776F92  59516140499 990 2    98 989 2      C-13-H3C(O)CH3
 1027657.4082  0.1569 -5.9217 3 1804.8779F92  59516140499 990 1    98 989 1      C-13-H3C(O)CH3
 1027657.4082  0.1569 -5.4397 3 1804.8779F92  59516140499 990 1    981089 1      C-13-H3C(O)CH3
 1027657.4082  0.1569 -5.3470 3 1804.8779F92  595161404991090 1    98 989 1      C-13-H3C(O)CH3
 1027676.8178  0.0082 -4.2075 3  451.9641712  595161404441728 0    431429 0      C-13-H3C(O)CH3
 1027676.8178  0.0082 -4.2087 3  451.9641712  595161404441628 0    431529 0      C-13-H3C(O)CH3
 1027691.4767  0.1390 -5.6218 3 1804.8760796  59516140499 990 3    98 989 3      C-13-H3C(O)CH3
 1027691.4767  0.1390 -5.6218 3 1804.8760796  595161404991090 3    981089 3      C-13-H3C(O)CH3
 1027691.5162  0.1390 -5.7630 3 1804.8760796  595161404991090 4    981089 4      C-13-H3C(O)CH3
 1027691.5162  0.1390 -5.7630 3 1804.8760796  59516140499 990 4    98 989 4      C-13-H3C(O)CH3
 1027721.2716  0.0227 -5.1399 3  441.1489664  595161404412516 1    402219 1      C-13-H3C(O)CH3
 1027724.1983  0.0105 -4.2072 3  451.9346712  595161404441728 2    431429 2      C-13-H3C(O)CH3
 1027724.1983  0.0105 -4.2077 3  451.9346712  595161404441628 2    431529 2      C-13-H3C(O)CH3
 1027728.1412  0.0594 -4.8327 3  547.0029728  595161404453016 2    442717 2      C-13-H3C(O)CH3
 1027728.2941  0.0102 -4.2072 3  451.9358712  595161404441728 1    431429 1      C-13-H3C(O)CH3
 1027728.2941  0.0102 -4.2074 3  451.9358712  595161404441628 1    431529 1      C-13-H3C(O)CH3
 1027763.3617  0.0617 -3.9198 3  863.9384420  5951614045250 3 4    5149 3 4      C-13-H3C(O)CH3
 1027775.6303  0.0117 -4.5079 3  451.9063356  595161404441628 4    431529 4      C-13-H3C(O)CH3
 1027775.6303  0.0117 -4.5082 3  451.9063356  595161404441728 4    431429 4      C-13-H3C(O)CH3
 1027775.7782  0.0117 -4.5082 3  451.9063356  595161404441628 3    431529 3      C-13-H3C(O)CH3
 1027775.7782  0.0117 -4.5082 3  451.9063356  595161404441728 3    431429 3      C-13-H3C(O)CH3
 1027802.5179  0.0583 -5.1976 3  546.9838364  595161404453016 4    442717 4      C-13-H3C(O)CH3
 1028369.2155  0.1602 -5.5366 3 1657.5810684  595161404852560 4    842659 4      C-13-H3C(O)CH3
 1028369.2155  0.1602 -5.5366 3 1657.5810684  595161404852660 4    842559 4      C-13-H3C(O)CH3
 1028369.2331  0.1602 -5.5160 3 1657.5810684  595161404852560 3    842559 3      C-13-H3C(O)CH3
 1028369.2331  0.1602 -5.5160 3 1657.5810684  595161404852660 3    842659 3      C-13-H3C(O)CH3
 1028381.9517  0.2028 -5.2284 3 1657.5597D68  595161404852560 1    842559 1      C-13-H3C(O)CH3
 1028381.9517  0.2028 -5.2284 3 1657.5597D68  595161404852660 1    842659 1      C-13-H3C(O)CH3
 1028387.4074  0.2024 -5.2207 3 1657.5628D68  595161404852560 2    842559 2      C-13-H3C(O)CH3
 1028387.4074  0.2024 -5.2207 3 1657.5628D68  595161404852660 2    842659 2      C-13-H3C(O)CH3
 1028400.1219  0.1967 -5.3862 3 1657.5416D68  595161404852660 0    842659 0      C-13-H3C(O)CH3
 1028400.1219  0.1967 -5.7014 3 1657.5416D68  595161404852660 0    842559 0      C-13-H3C(O)CH3
 1028400.1219  0.1967 -5.7014 3 1657.5416D68  595161404852560 0    842659 0      C-13-H3C(O)CH3
 1028400.1219  0.1967 -5.3862 3 1657.5416D68  595161404852560 0    842559 0      C-13-H3C(O)CH3
 1028555.4638  0.2744 -4.9325 3  922.0491468  595161404583821 4    573720 4      C-13-H3C(O)CH3
 1028606.4227  0.0709 -5.0415 3  546.9831364  595161404453016 3    442717 3      C-13-H3C(O)CH3
 1028670.3099  0.2048 -5.3355 3 1761.6763E96  595161404931777 0    921676 0      C-13-H3C(O)CH3
 1028670.3099  0.2048 -5.7299 3 1761.6763E96  595161404931777 0    921776 0      C-13-H3C(O)CH3
 1028670.3099  0.2048 -5.5070 3 1761.6763E96  595161404931677 0    921776 0      C-13-H3C(O)CH3
 1028682.4498  0.2141 -5.5954 3 1761.6981E96  595161404931677 1    921776 1      C-13-H3C(O)CH3
 1028682.4498  0.2141 -5.5954 3 1761.6981E96  595161404931777 1    921676 1      C-13-H3C(O)CH3
 1028682.4498  0.2141 -5.6135 3 1761.6981E96  595161404931677 1    921676 1      C-13-H3C(O)CH3
 1028682.4498  0.2141 -5.6135 3 1761.6981E96  595161404931777 1    921776 1      C-13-H3C(O)CH3
 1028686.1118  0.2225 -5.5754 3 1761.6993E96  595161404931777 2    921676 2      C-13-H3C(O)CH3
 1028686.1118  0.2225 -5.5754 3 1761.6993E96  595161404931677 2    921776 2      C-13-H3C(O)CH3
 1028686.1118  0.2225 -5.6354 3 1761.6993E96  595161404931677 2    921676 2      C-13-H3C(O)CH3
 1028686.1118  0.2225 -5.6354 3 1761.6993E96  595161404931777 2    921776 2      C-13-H3C(O)CH3
 1028698.2748  0.1680 -5.6066 3 1761.7210748  595161404931777 3    921676 3      C-13-H3C(O)CH3
 1028698.2748  0.1680 -5.6066 3 1761.7210748  595161404931677 3    921776 3      C-13-H3C(O)CH3
 1028698.2931  0.1681 -5.6866 3 1761.7211748  595161404931777 4    921676 4      C-13-H3C(O)CH3
 1028698.2931  0.1681 -5.6866 3 1761.7211748  595161404931677 4    921776 4      C-13-H3C(O)CH3
 1028699.9738  0.0197 -5.4082 3  498.5898696  595161404432915 1    422617 1      C-13-H3C(O)CH3
 1028708.6616  0.0290 -5.4492 3  498.5707348  595161404432915 4    422617 4      C-13-H3C(O)CH3
 1028729.7149  0.0445 -5.5323 3  547.0147728  595161404453015 1    442717 1      C-13-H3C(O)CH3
 1028842.0740  0.0258 -5.2559 3  498.5872696  595161404432915 2    422617 2      C-13-H3C(O)CH3
 1028883.4843  0.1452 -5.3463 3 1813.8020G08  595161404A0 892 0    99 891 0      C-13-H3C(O)CH3
 1028883.4843  0.1452 -5.3463 3 1813.8020G08  595161404A0 992 0    99 991 0      C-13-H3C(O)CH3
 1028915.3594  0.1554 -5.4289 3 1813.7932G08  595161404A0 892 2    99 891 2      C-13-H3C(O)CH3
 1028915.3594  0.1554 -5.4289 3 1813.7932G08  595161404A0 992 2    99 991 2      C-13-H3C(O)CH3
 1028915.4883  0.1667 -5.4456 3 1813.7934G08  595161404A0 892 1    99 991 1      C-13-H3C(O)CH3
 1028915.4883  0.1667 -5.4456 3 1813.7934G08  595161404A0 992 1    99 891 1      C-13-H3C(O)CH3
 1028947.3728  0.1344 -5.7546 3 1813.7845804  595161404A0 892 3    99 991 3      C-13-H3C(O)CH3
 1028947.3728  0.1344 -5.7546 3 1813.7845804  595161404A0 992 3    99 891 3      C-13-H3C(O)CH3
 1028947.4095  0.1344 -5.6286 3 1813.7844804  595161404A0 992 4    99 991 4      C-13-H3C(O)CH3
 1028947.4095  0.1344 -5.6286 3 1813.7844804  595161404A0 892 4    99 891 4      C-13-H3C(O)CH3
 1029019.0324  0.5099 -4.9385 3 1246.9746A96  595161404684029 0    673928 0      C-13-H3C(O)CH3
 1029078.6823  0.1588 -4.3468 3  922.0093936  595161404583821 2    573720 2      C-13-H3C(O)CH3
 1029161.7759  0.1079 -4.3039 3  922.0055936  595161404583821 1    573720 1      C-13-H3C(O)CH3
 1029276.9544  0.0355 -4.1393 3  921.9729936  595161404583821 0    573720 0      C-13-H3C(O)CH3
 1029284.0541  0.0181 -4.7450 3  498.6057696  595161404432914 0    422617 0      C-13-H3C(O)CH3
 1029365.8715  0.1638 -5.5365 3 1675.1423692  595161404862562 4    852561 4      C-13-H3C(O)CH3
 1029365.8715  0.1638 -5.5365 3 1675.1423692  595161404862462 4    852461 4      C-13-H3C(O)CH3
 1029365.8852  0.1638 -5.5702 3 1675.1423692  595161404862562 3    852461 3      C-13-H3C(O)CH3
 1029365.8852  0.1638 -5.5702 3 1675.1423692  595161404862462 3    852561 3      C-13-H3C(O)CH3
 1029376.5998  0.2109 -5.4027 3 1675.1205D84  595161404862562 1    852461 1      C-13-H3C(O)CH3
 1029376.5998  0.2109 -5.7247 3 1675.1205D84  595161404862462 1    852461 1      C-13-H3C(O)CH3
 1029376.5998  0.2109 -5.4027 3 1675.1205D84  595161404862462 1    852561 1      C-13-H3C(O)CH3
 1029376.5998  0.2109 -5.7247 3 1675.1205D84  595161404862562 1    852561 1      C-13-H3C(O)CH3
 1029379.0859  0.0276 -3.9687 3  869.0504428  5951614045348 5 4    5247 5 4      C-13-H3C(O)CH3
 1029382.2456  0.2110 -5.6108 3 1675.1235D84  595161404862462 2    852561 2      C-13-H3C(O)CH3
 1029382.2456  0.2110 -5.4696 3 1675.1235D84  595161404862462 2    852461 2      C-13-H3C(O)CH3
 1029382.2456  0.2110 -5.6108 3 1675.1235D84  595161404862562 2    852461 2      C-13-H3C(O)CH3
 1029382.2456  0.2110 -5.4696 3 1675.1235D84  595161404862562 2    852561 2      C-13-H3C(O)CH3
 1029392.9584  0.2030 -5.2454 3 1675.1017D84  595161404862562 0    852461 0      C-13-H3C(O)CH3
 1029392.9584  0.2030 -5.2454 3 1675.1017D84  595161404862462 0    852561 0      C-13-H3C(O)CH3
 1029395.9494  0.0218 -3.6677 3  869.0301856  5951614045348 5 1    5247 5 1      C-13-H3C(O)CH3
 1029409.4438  0.0211 -4.1873 3  630.9244792  595161404492822 0    482523 0      C-13-H3C(O)CH3
 1029416.9691  0.0225 -3.6676 3  869.0097856  5951614045348 5 2    5247 5 2      C-13-H3C(O)CH3
 1029434.3309  0.0206 -3.6676 3  868.9892856  5951614045348 5 0    5247 6 0      C-13-H3C(O)CH3
 1029434.3309  0.0206 -3.6676 3  868.9892856  5951614045348 6 0    5247 5 0      C-13-H3C(O)CH3
 1029437.9618  0.5852 -4.9385 3 1246.9735A96  595161404684029 2    673928 2      C-13-H3C(O)CH3
 1029463.6274  0.0304 -3.9687 3  869.0375428  5951614045348 5 3    5247 5 3      C-13-H3C(O)CH3
 1029483.4577  0.0296 -4.1873 3  630.9095792  595161404492822 2    482523 2      C-13-H3C(O)CH3
 1029492.7295  0.0223 -4.1872 3  630.9120792  595161404492822 1    482523 1      C-13-H3C(O)CH3
 1029496.0257  0.0844 -5.3502 3  547.0029728  595161404453015 2    442717 2      C-13-H3C(O)CH3
 1029501.9929  0.0266 -3.6676 3  868.9968856  5951614045348 6 2    5247 6 2      C-13-H3C(O)CH3
 1029519.1177  0.0259 -5.8117 3  375.5332292  5951614043631 6 4    3528 8 4      C-13-H3C(O)CH3
 1029531.9247  0.0300 -3.9686 3  869.0310428  5951614045348 6 3    5247 6 3      C-13-H3C(O)CH3
 1029549.3354  0.0253 -3.6675 3  869.0106856  5951614045348 6 1    5247 6 1      C-13-H3C(O)CH3
 1029566.7095  0.0314 -4.4881 3  630.8971396  595161404492822 4    482523 4      C-13-H3C(O)CH3
 1029568.7628  0.0310 -4.4881 3  630.8971396  595161404492822 3    482523 3      C-13-H3C(O)CH3
 1029616.4955  0.0381 -3.9685 3  869.0181428  5951614045348 6 4    5247 6 4      C-13-H3C(O)CH3
 1029620.4678  0.0412 -4.4442 3  922.0325468  595161404583821 3    573720 3      C-13-H3C(O)CH3
 1029677.9218  0.0768 -4.4463 3  645.1737792  595161404493119 0    482820 0      C-13-H3C(O)CH3
 1029692.8260  0.4531 -4.9385 3 1246.9620A96  595161404684029 1    673928 1      C-13-H3C(O)CH3
 1029703.0947  0.0255 -5.8091 3  375.5409292  5951614043631 6 3    3528 8 3      C-13-H3C(O)CH3
 1029763.7607  0.0272 -4.8507 3  498.5898696  595161404432914 1    422617 1      C-13-H3C(O)CH3
 1029811.8470  0.0209 -5.5142 3  375.5774584  5951614043631 6 2    3528 8 2      C-13-H3C(O)CH3
 1029812.0048  0.0221 -5.5122 3  375.5597584  5951614043631 6 1    3528 8 1      C-13-H3C(O)CH3
 1029816.5309  0.0533 -4.2134 3  916.2825936  595161404583721 0    573622 0      C-13-H3C(O)CH3
 1029828.4506  0.1991 -5.4792 3 1774.3325F12  595161404941579 0    931578 0      C-13-H3C(O)CH3
 1029828.4506  0.1991 -5.4792 3 1774.3325F12  595161404941679 0    931678 0      C-13-H3C(O)CH3
 1029828.4506  0.1991 -5.8198 3 1774.3325F12  595161404941679 0    931578 0      C-13-H3C(O)CH3
 1029828.4506  0.1991 -5.8198 3 1774.3325F12  595161404941579 0    931678 0      C-13-H3C(O)CH3
 1029845.0577  0.2053 -5.3555 3 1774.3534F12  595161404941579 1    931578 1      C-13-H3C(O)CH3
 1029845.0577  0.2053 -5.3555 3 1774.3534F12  595161404941679 1    931678 1      C-13-H3C(O)CH3
 1029848.1304  0.2141 -5.8831 3 1774.3542F12  595161404941579 2    931678 2      C-13-H3C(O)CH3
 1029848.1304  0.2141 -5.4531 3 1774.3542F12  595161404941679 2    931678 2      C-13-H3C(O)CH3
 1029848.1304  0.2141 -5.4531 3 1774.3542F12  595161404941579 2    931578 2      C-13-H3C(O)CH3
 1029848.1304  0.2141 -5.8831 3 1774.3542F12  595161404941679 2    931578 2      C-13-H3C(O)CH3
 1029864.7637  0.1673 -5.6173 3 1774.3752756  595161404941579 3    931578 3      C-13-H3C(O)CH3
 1029864.7637  0.1673 -5.6173 3 1774.3752756  595161404941679 3    931678 3      C-13-H3C(O)CH3
 1029864.7854  0.1673 -5.6492 3 1774.3752756  595161404941579 4    931678 4      C-13-H3C(O)CH3
 1029864.7854  0.1673 -5.6492 3 1774.3752756  595161404941679 4    931578 4      C-13-H3C(O)CH3
 1029916.9957  0.0520 -4.5117 3  916.3255468  595161404583721 3    573622 3      C-13-H3C(O)CH3
 1029944.6877  0.0376 -4.2460 3  665.1795808  595161404503021 0    492722 0      C-13-H3C(O)CH3
 1029946.0815  0.1471 -5.0142 3 1349.0352B44  595161404714032 0    703931 0      C-13-H3C(O)CH3
 1029957.5858  0.0646 -4.2221 3  916.3023936  595161404583721 1    573622 1      C-13-H3C(O)CH3
 1029972.4243  0.0606 -4.2242 3  916.3030936  595161404583721 2    573622 2      C-13-H3C(O)CH3
 1029988.2010  0.1273 -5.0143 3 1349.0468B44  595161404714032 2    703931 2      C-13-H3C(O)CH3
 1029995.6136  0.0221 -5.5115 3  375.5849584  5951614043631 5 2    3528 7 2      C-13-H3C(O)CH3
 1030038.5718  0.1279 -5.0144 3 1349.0408B44  595161404714032 1    703931 1      C-13-H3C(O)CH3
 1030072.1689  0.0257 -5.8120 3  375.5452292  5951614043631 5 3    3528 7 3      C-13-H3C(O)CH3
 1030081.4985  0.0862 -5.3155 3 1349.0524572  595161404714032 4    703931 4      C-13-H3C(O)CH3
 1030081.9070  0.0878 -5.3155 3 1349.0523572  595161404714032 3    703931 3      C-13-H3C(O)CH3
 1030108.9940  0.0218 -5.5156 3  375.6037584  5951614043631 6 0    3528 7 0      C-13-H3C(O)CH3
 1030109.0163  0.0218 -5.5156 3  375.6037584  5951614043631 5 0    3528 8 0      C-13-H3C(O)CH3
 1030115.0709  0.4659 -5.2396 3 1246.9608548  595161404684029 4    673928 4      C-13-H3C(O)CH3
 1030118.4938  0.4772 -5.2395 3 1246.9607548  595161404684029 3    673928 3      C-13-H3C(O)CH3
 1030153.3886  0.0358 -4.2463 3  665.1674808  595161404503021 1    492722 1      C-13-H3C(O)CH3
 1030201.8794  0.0285 -4.2467 3  665.1636808  595161404503021 2    492722 2      C-13-H3C(O)CH3
 1030205.2613  0.0368 -5.0962 3  498.5717348  595161404432914 3    422617 3      C-13-H3C(O)CH3
 1030233.5610  0.0121 -4.1484 3  562.1685760  595161404472324 0    462225 0      C-13-H3C(O)CH3
 1030239.8932  0.0121 -4.1484 3  562.1685760  595161404472424 0    462125 0      C-13-H3C(O)CH3
 1030253.4167  0.0287 -5.8094 3  375.5529292  5951614043631 5 4    3528 7 4      C-13-H3C(O)CH3
 1030311.4847  0.0427 -4.9062 3  498.5872696  595161404432914 2    422617 2      C-13-H3C(O)CH3
 1030312.3146  0.1330 -4.5557 3  916.3203468  595161404583721 4    573622 4      C-13-H3C(O)CH3
 1030331.3870  0.0179 -4.1482 3  562.1480760  595161404472324 2    462225 2      C-13-H3C(O)CH3
 1030338.2319  0.0179 -4.1481 3  562.1480760  595161404472424 2    462125 2      C-13-H3C(O)CH3
 1030338.7493  0.0126 -4.1481 3  562.1498760  595161404472324 1    462225 1      C-13-H3C(O)CH3
 1030345.4522  0.0126 -4.1481 3  562.1498760  595161404472424 1    462125 1      C-13-H3C(O)CH3
 1030363.3406  0.0628 -4.4496 3  645.1519792  595161404493119 1    482820 1      C-13-H3C(O)CH3
 1030364.9473  0.0225 -5.5125 3  375.5716584  5951614043631 5 1    3528 7 1      C-13-H3C(O)CH3
 1030389.9218  0.1672 -5.7483 3 1692.1532700  595161404872364 4    862463 4      C-13-H3C(O)CH3
 1030389.9218  0.1672 -5.7483 3 1692.1532700  595161404872464 4    862363 4      C-13-H3C(O)CH3
 1030389.9317  0.1672 -5.6618 3 1692.1532700  595161404872464 3    862363 3      C-13-H3C(O)CH3
 1030389.9317  0.1672 -5.6618 3 1692.1532700  595161404872364 3    862463 3      C-13-H3C(O)CH3
 1030398.3965  0.2186 -5.2518 3 1692.1307E00  595161404872364 1    862363 1      C-13-H3C(O)CH3
 1030398.3965  0.2186 -5.2518 3 1692.1307E00  595161404872464 1    862463 1      C-13-H3C(O)CH3
 1030404.1561  0.2194 -5.2548 3 1692.1337E00  595161404872364 2    862463 2      C-13-H3C(O)CH3
 1030404.1561  0.2194 -5.2548 3 1692.1337E00  595161404872464 2    862363 2      C-13-H3C(O)CH3
 1030404.9872  0.0207 -4.5481 3  665.1515404  595161404503021 4    492722 4      C-13-H3C(O)CH3
 1030412.6215  0.2088 -5.2526 3 1692.1112E00  595161404872364 0    862363 0      C-13-H3C(O)CH3
 1030412.6215  0.2088 -5.2526 3 1692.1112E00  595161404872464 0    862463 0      C-13-H3C(O)CH3
 1030422.8935  0.0204 -4.5481 3  665.1514404  595161404503021 3    492722 3      C-13-H3C(O)CH3
 1030436.7509  0.0192 -4.4488 3  562.1292380  595161404472324 3    462225 3      C-13-H3C(O)CH3
 1030436.9618  0.0194 -4.4488 3  562.1292380  595161404472324 4    462225 4      C-13-H3C(O)CH3
 1030443.9994  0.0191 -4.4488 3  562.1292380  595161404472424 3    462125 3      C-13-H3C(O)CH3
 1030444.1824  0.0193 -4.4488 3  562.1292380  595161404472424 4    462125 4      C-13-H3C(O)CH3
 1030451.8311  0.0944 -5.4903 3  546.9838364  595161404453015 4    442717 4      C-13-H3C(O)CH3
 1030485.3103  0.0400 -4.6384 3  922.0055936  595161404583820 1    573720 1      C-13-H3C(O)CH3
 1030493.4654  0.0496 -4.5577 3  922.0093936  595161404583820 2    573720 2      C-13-H3C(O)CH3
 1030607.2911  0.0359 -5.2791 3  417.4580648  595161404402416 2    392119 2      C-13-H3C(O)CH3
 1030675.8771  0.0530 -4.6073 3  922.0491468  595161404583820 4    573720 4      C-13-H3C(O)CH3
 1030685.4582  0.0392 -5.5783 3  417.4344324  595161404402416 3    392119 3      C-13-H3C(O)CH3
 1030689.5945  0.0387 -5.5783 3  417.4343324  595161404402416 4    392119 4      C-13-H3C(O)CH3
 1030699.4344  0.0979 -4.4522 3  645.1416792  595161404493119 2    482820 2      C-13-H3C(O)CH3
 1030896.7789  0.0220 -5.2825 3  417.4862648  595161404402416 0    392119 0      C-13-H3C(O)CH3
 1030957.2934  0.0115 -5.5122 3  409.3114348  595161404431430 4    421231 4      C-13-H3C(O)CH3
 1030957.2934  0.0115 -4.6484 3  409.3114348  595161404431330 4    421231 4      C-13-H3C(O)CH3
 1030957.2934  0.0115 -5.5122 3  409.3114348  595161404431330 4    421131 4      C-13-H3C(O)CH3
 1030957.2934  0.0115 -4.6484 3  409.3114348  595161404431430 4    421131 4      C-13-H3C(O)CH3
 1030957.6781  0.0114 -5.0923 3  409.3114348  595161404431430 3    421131 3      C-13-H3C(O)CH3
 1030957.6781  0.0114 -4.7579 3  409.3114348  595161404431430 3    421231 3      C-13-H3C(O)CH3
 1030957.6781  0.0114 -5.0923 3  409.3114348  595161404431330 3    421231 3      C-13-H3C(O)CH3
 1030957.6781  0.0114 -4.7579 3  409.3114348  595161404431330 3    421131 3      C-13-H3C(O)CH3
 1030972.8094  0.0232 -5.2808 3  417.4625648  595161404402416 1    392119 1      C-13-H3C(O)CH3
 1030988.1257  0.0523 -5.2647 3  498.5707348  595161404432914 4    422617 4      C-13-H3C(O)CH3
 1030992.5689  0.0110 -4.7544 3  409.3389696  595161404431430 2    421231 2      C-13-H3C(O)CH3
 1030992.5689  0.0110 -4.4753 3  409.3389696  595161404431430 2    421131 2      C-13-H3C(O)CH3
 1030992.5689  0.0110 -4.4753 3  409.3389696  595161404431330 2    421231 2      C-13-H3C(O)CH3
 1030992.5689  0.0110 -4.7544 3  409.3389696  595161404431330 2    421131 2      C-13-H3C(O)CH3
 1030996.7154  0.0111 -4.4658 3  409.3398696  595161404431430 1    421131 1      C-13-H3C(O)CH3
 1030996.7154  0.0111 -4.4658 3  409.3398696  595161404431330 1    421231 1      C-13-H3C(O)CH3
 1030996.7154  0.0111 -4.7729 3  409.3398696  595161404431330 1    421131 1      C-13-H3C(O)CH3
 1030996.7154  0.0111 -4.7729 3  409.3398696  595161404431430 1    421231 1      C-13-H3C(O)CH3
 1031000.8607  0.1915 -5.6647 3 1786.4570F28  595161404951481 0    941480 0      C-13-H3C(O)CH3
 1031000.8607  0.1915 -5.5955 3 1786.4570F28  595161404951581 0    941480 0      C-13-H3C(O)CH3
 1031000.8607  0.1915 -5.6647 3 1786.4570F28  595161404951581 0    941580 0      C-13-H3C(O)CH3
 1031000.8607  0.1915 -5.5955 3 1786.4570F28  595161404951481 0    941580 0      C-13-H3C(O)CH3
 1031010.6651  0.0156 -4.1610 3  596.5336776  595161404482523 0    472424 0      C-13-H3C(O)CH3
 1031021.9228  0.1941 -5.5364 3 1786.4766F28  595161404951481 1    941480 1      C-13-H3C(O)CH3
 1031021.9228  0.1941 -5.7463 3 1786.4766F28  595161404951481 1    941580 1      C-13-H3C(O)CH3
 1031021.9228  0.1941 -5.7463 3 1786.4766F28  595161404951581 1    941480 1      C-13-H3C(O)CH3
 1031021.9228  0.1941 -5.5364 3 1786.4766F28  595161404951581 1    941580 1      C-13-H3C(O)CH3
 1031024.3734  0.2027 -5.3651 3 1786.4771F28  595161404951581 2    941580 2      C-13-H3C(O)CH3
 1031024.3734  0.2027 -5.3651 3 1786.4771F28  595161404951481 2    941480 2      C-13-H3C(O)CH3
 1031031.5772  0.0088 -4.2934 3  409.3672696  595161404431430 0    421231 0      C-13-H3C(O)CH3
 1031031.5772  0.0088 -5.8082 3  409.3672696  595161404431330 0    421231 0      C-13-H3C(O)CH3
 1031031.5772  0.0088 -4.2973 3  409.3672696  595161404431330 0    421131 0      C-13-H3C(O)CH3
 1031045.4643  0.1659 -5.6977 3 1786.4966764  595161404951481 3    941580 3      C-13-H3C(O)CH3
 1031045.4643  0.1659 -5.6977 3 1786.4966764  595161404951581 3    941480 3      C-13-H3C(O)CH3
 1031045.4894  0.1659 -5.7102 3 1786.4966764  595161404951481 4    941480 4      C-13-H3C(O)CH3
 1031045.4894  0.1659 -5.7102 3 1786.4966764  595161404951581 4    941580 4      C-13-H3C(O)CH3
 1031081.5492  0.0249 -4.1608 3  596.5163776  595161404482523 2    472424 2      C-13-H3C(O)CH3
 1031092.5951  0.1199 -5.3765 3 1484.5087612  595161404763541 4    753640 4      C-13-H3C(O)CH3
 1031092.5959  0.1199 -5.3765 3 1484.5087612  595161404763641 4    753540 4      C-13-H3C(O)CH3
 1031092.6458  0.1199 -5.3765 3 1484.5086612  595161404763541 3    753640 3      C-13-H3C(O)CH3
 1031092.6466  0.1199 -5.3765 3 1484.5086612  595161404763641 3    753540 3      C-13-H3C(O)CH3
 1031095.1969  0.0159 -4.1607 3  596.5184776  595161404482523 1    472424 1      C-13-H3C(O)CH3
 1031107.2710  0.0224 -4.0256 3  875.7343436  5951614045446 9 4    5345 8 4      C-13-H3C(O)CH3
 1031113.2762  0.1307 -5.0754 3 1484.4929C24  595161404763541 1    753640 1      C-13-H3C(O)CH3
 1031113.2770  0.1307 -5.0754 3 1484.4929C24  595161404763641 1    753540 1      C-13-H3C(O)CH3
 1031113.8912  0.1314 -5.0756 3 1484.4959C24  595161404763541 2    753640 2      C-13-H3C(O)CH3
 1031113.8918  0.1314 -5.0756 3 1484.4959C24  595161404763641 2    753540 2      C-13-H3C(O)CH3
 1031134.4962  0.1343 -5.0754 3 1484.4802C24  595161404763541 0    753640 0      C-13-H3C(O)CH3
 1031134.4968  0.1343 -5.0754 3 1484.4802C24  595161404763641 0    753540 0      C-13-H3C(O)CH3
 1031151.6827  0.0189 -3.7245 3  875.7059872  5951614045446 9 2    5345 9 2      C-13-H3C(O)CH3
 1031165.9954  0.0262 -4.4615 3  596.5011388  595161404482523 3    472424 3      C-13-H3C(O)CH3
 1031166.4236  0.0265 -4.4615 3  596.5011388  595161404482523 4    472424 4      C-13-H3C(O)CH3
 1031166.7712  0.0154 -4.1609 3  596.5334776  595161404482623 0    472324 0      C-13-H3C(O)CH3
 1031173.7502  0.0163 -3.7244 3  875.7190872  5951614045446 8 1    5345 8 1      C-13-H3C(O)CH3
 1031186.4812  0.1254 -5.3936 3 1507.9600620  595161404773443 4    763542 4      C-13-H3C(O)CH3
 1031186.4812  0.1254 -5.3936 3 1507.9600620  595161404773543 4    763442 4      C-13-H3C(O)CH3
 1031186.5301  0.1254 -5.3936 3 1507.9599620  595161404773443 3    763542 3      C-13-H3C(O)CH3
 1031186.5301  0.1254 -5.3936 3 1507.9599620  595161404773543 3    763442 3      C-13-H3C(O)CH3
 1031203.8287  0.0236 -4.0256 3  875.7394436  5951614045446 8 3    5345 8 3      C-13-H3C(O)CH3
 1031208.2563  0.1381 -5.0925 3 1507.9438C40  595161404773443 1    763542 1      C-13-H3C(O)CH3
 1031208.2563  0.1381 -5.0925 3 1507.9438C40  595161404773543 1    763442 1      C-13-H3C(O)CH3
 1031209.6676  0.1387 -5.0930 3 1507.9468C40  595161404773443 2    763542 2      C-13-H3C(O)CH3
 1031209.6676  0.1387 -5.0930 3 1507.9468C40  595161404773543 2    763442 2      C-13-H3C(O)CH3
 1031218.2837  0.0152 -3.7244 3  875.6905872  5951614045446 8 0    5345 8 0      C-13-H3C(O)CH3
 1031218.2837  0.0152 -3.7244 3  875.6905872  5951614045446 9 0    5345 9 0      C-13-H3C(O)CH3
 1031231.3686  0.1417 -5.0926 3 1507.9308C40  595161404773543 0    763442 0      C-13-H3C(O)CH3
 1031231.3686  0.1417 -5.0926 3 1507.9308C40  595161404773443 0    763542 0      C-13-H3C(O)CH3
 1031234.3759  0.0242 -4.0255 3  875.7240436  5951614045446 9 3    5345 9 3      C-13-H3C(O)CH3
 1031247.0080  0.0238 -4.1607 3  596.5161776  595161404482623 2    472324 2      C-13-H3C(O)CH3
 1031248.7427  0.0191 -3.7245 3  875.7109872  5951614045446 8 2    5345 8 2      C-13-H3C(O)CH3
 1031257.9884  0.0160 -4.1606 3  596.5182776  595161404482623 1    472324 1      C-13-H3C(O)CH3
 1031300.8044  0.0787 -4.7593 3  645.1199396  595161404493119 4    482820 4      C-13-H3C(O)CH3
 1031301.3715  0.0176 -3.7244 3  875.7086872  5951614045446 9 1    5345 9 1      C-13-H3C(O)CH3
 1031320.5991  0.1142 -5.3616 3 1460.3840604  595161404753639 4    743738 4      C-13-H3C(O)CH3
 1031320.6348  0.1142 -5.3616 3 1460.3840604  595161404753739 4    743638 4      C-13-H3C(O)CH3
 1031320.6502  0.1143 -5.3616 3 1460.3840604  595161404753639 3    743738 3      C-13-H3C(O)CH3
 1031320.6861  0.1143 -5.3616 3 1460.3840604  595161404753739 3    743638 3      C-13-H3C(O)CH3
 1031331.4473  0.0274 -4.0255 3  875.7290436  5951614045446 8 4    5345 9 4      C-13-H3C(O)CH3
 1031338.5948  0.0251 -4.4614 3  596.5009388  595161404482623 3    472324 3      C-13-H3C(O)CH3
 1031338.6062  0.0254 -4.4614 3  596.5008388  595161404482623 4    472324 4      C-13-H3C(O)CH3
 1031338.8923  0.1242 -5.0606 3 1460.3717C08  595161404753639 2    743738 2      C-13-H3C(O)CH3
 1031338.9212  0.1242 -5.0606 3 1460.3717C08  595161404753739 2    743638 2      C-13-H3C(O)CH3
 1031339.2657  0.1234 -5.0606 3 1460.3686C08  595161404753639 1    743738 1      C-13-H3C(O)CH3
 1031339.3016  0.1234 -5.0606 3 1460.3686C08  595161404753739 1    743638 1      C-13-H3C(O)CH3
 1031341.4636  0.0157 -5.3821 3  376.4815616  595161404382415 0    371918 0      C-13-H3C(O)CH3
 1031349.1635  0.7823 -5.5178 3 1362.2843572  595161404714130 3    704229 3      C-13-H3C(O)CH3
 1031352.2863  0.7644 -5.5178 3 1362.2843572  595161404714130 4    704229 4      C-13-H3C(O)CH3
 1031357.4843  0.1272 -5.0605 3 1460.3564C08  595161404753639 0    743738 0      C-13-H3C(O)CH3
 1031357.5132  0.1272 -5.0605 3 1460.3564C08  595161404753739 0    743638 0      C-13-H3C(O)CH3
 1031431.4262  0.0171 -5.6771 3  328.2628584  595161404362016 2    351719 2      C-13-H3C(O)CH3
 1031433.9441  0.0348 -4.5560 3  921.9307936  595161404583821 2    573721 2      C-13-H3C(O)CH3
 1031438.1331  0.1703 -5.7833 3 1708.6168708  595161404882366 4    872265 4      C-13-H3C(O)CH3
 1031438.1331  0.1703 -5.7833 3 1708.6168708  595161404882266 4    872365 4      C-13-H3C(O)CH3
 1031438.1390  0.1703 -5.7666 3 1708.6167708  595161404882266 3    872265 3      C-13-H3C(O)CH3
 1031438.1390  0.1703 -5.7666 3 1708.6167708  595161404882366 3    872365 3      C-13-H3C(O)CH3
 1031441.8748  0.0334 -4.6365 3  921.9294936  595161404583821 1    573721 1      C-13-H3C(O)CH3
 1031444.1005  0.2256 -5.3699 3 1708.5937E16  595161404882366 1    872265 1      C-13-H3C(O)CH3
 1031444.1005  0.2256 -5.3699 3 1708.5937E16  595161404882266 1    872365 1      C-13-H3C(O)CH3
 1031449.8886  0.2272 -5.2749 3 1708.5965E16  595161404882366 2    872365 2      C-13-H3C(O)CH3
 1031449.8886  0.2272 -5.2749 3 1708.5965E16  595161404882266 2    872265 2      C-13-H3C(O)CH3
 1031455.8533  0.2141 -5.3005 3 1708.5734E16  595161404882266 0    872265 0      C-13-H3C(O)CH3
 1031455.8533  0.2141 -5.3005 3 1708.5734E16  595161404882366 0    872365 0      C-13-H3C(O)CH3
 1031463.2981  0.0152 -5.3808 3  376.4577616  595161404382415 1    371918 1      C-13-H3C(O)CH3
 1031471.3328  0.0904 -4.7539 3  645.1196396  595161404493119 3    482820 3      C-13-H3C(O)CH3
 1031507.2596  0.1309 -5.4223 3 1530.7679628  595161404783345 4    773444 4      C-13-H3C(O)CH3
 1031507.2596  0.1309 -5.4247 3 1530.7679628  595161404783445 4    773344 4      C-13-H3C(O)CH3
 1031507.3062  0.1309 -5.4124 3 1530.7678628  595161404783445 3    773344 3      C-13-H3C(O)CH3
 1031507.3062  0.1309 -5.4125 3 1530.7678628  595161404783345 3    773444 3      C-13-H3C(O)CH3
 1031529.5112  0.1458 -5.1111 3 1530.7514C56  595161404783445 1    773344 1      C-13-H3C(O)CH3
 1031529.5112  0.1458 -5.1110 3 1530.7514C56  595161404783345 1    773444 1      C-13-H3C(O)CH3
 1031531.6046  0.1461 -5.1114 3 1530.7544C56  595161404783345 2    773444 2      C-13-H3C(O)CH3
 1031531.6046  0.1461 -5.1117 3 1530.7544C56  595161404783445 2    773344 2      C-13-H3C(O)CH3
 1031545.2856  0.0334 -4.6050 3  921.9494468  595161404583821 4    573721 4      C-13-H3C(O)CH3
 1031552.4611  0.0137 -5.6778 3  328.2902584  595161404362016 0    351719 0      C-13-H3C(O)CH3
 1031553.7856  0.1491 -5.1135 3 1530.7380C56  595161404783445 0    773344 0      C-13-H3C(O)CH3
 1031553.7856  0.1491 -5.1137 3 1530.7380C56  595161404783345 0    773444 0      C-13-H3C(O)CH3
 1031568.8159  0.0150 -5.3824 3  376.4526616  595161404382415 2    371918 2      C-13-H3C(O)CH3
 1031623.6663  0.6986 -5.2158 3 1362.2710B44  595161404714130 1    704229 1      C-13-H3C(O)CH3
 1031641.1229  0.0158 -5.6761 3  328.2662584  595161404362016 1    351719 1      C-13-H3C(O)CH3
 1031677.4659  0.0139 -5.6822 3  376.4287308  595161404382415 4    371918 4      C-13-H3C(O)CH3
 1031698.4439  0.0142 -5.6818 3  376.4287308  595161404382415 3    371918 3      C-13-H3C(O)CH3
 1031992.6083  0.9099 -5.2146 3 1362.2721B44  595161404714130 2    704229 2      C-13-H3C(O)CH3
 1031994.0141  0.1363 -5.4906 3 1552.9543636  595161404793347 4    783346 4      C-13-H3C(O)CH3
 1031994.0141  0.1363 -5.4906 3 1552.9543636  595161404793247 4    783246 4      C-13-H3C(O)CH3
 1031994.0579  0.1363 -5.4323 3 1552.9542636  595161404793247 3    783346 3      C-13-H3C(O)CH3
 1031994.0579  0.1363 -5.4323 3 1552.9542636  595161404793347 3    783246 3      C-13-H3C(O)CH3
 1032016.2932  0.1537 -5.4274 3 1552.9374C72  595161404793247 1    783346 1      C-13-H3C(O)CH3
 1032016.2932  0.1537 -5.4357 3 1552.9374C72  595161404793247 1    783246 1      C-13-H3C(O)CH3
 1032016.2932  0.1537 -5.4274 3 1552.9374C72  595161404793347 1    783246 1      C-13-H3C(O)CH3
 1032016.2932  0.1537 -5.4357 3 1552.9374C72  595161404793347 1    783346 1      C-13-H3C(O)CH3
 1032018.9938  0.1538 -5.1410 3 1552.9404C72  595161404793347 2    783246 2      C-13-H3C(O)CH3
 1032018.9938  0.1538 -5.1410 3 1552.9404C72  595161404793247 2    783346 2      C-13-H3C(O)CH3
 1032028.0296  0.1083 -5.3503 3 1435.5429596  595161404743737 4    733836 4      C-13-H3C(O)CH3
 1032028.0774  0.1083 -5.3503 3 1435.5428596  595161404743737 3    733836 3      C-13-H3C(O)CH3
 1032029.3380  0.1082 -5.3503 3 1435.5428596  595161404743837 4    733736 4      C-13-H3C(O)CH3
 1032029.3885  0.1082 -5.3503 3 1435.5428596  595161404743837 3    733736 3      C-13-H3C(O)CH3
 1032041.2069  0.1566 -5.2361 3 1552.9236C72  595161404793247 0    783246 0      C-13-H3C(O)CH3
 1032041.2069  0.1566 -5.7962 3 1552.9236C72  595161404793347 0    783246 0      C-13-H3C(O)CH3
 1032041.2069  0.1566 -5.2361 3 1552.9236C72  595161404793347 0    783346 0      C-13-H3C(O)CH3
 1032041.2069  0.1566 -5.7962 3 1552.9236C72  595161404793247 0    783346 0      C-13-H3C(O)CH3
 1032041.5082  0.1170 -5.0492 3 1435.5313B92  595161404743737 2    733836 2      C-13-H3C(O)CH3
 1032042.6414  0.1169 -5.0492 3 1435.5313B92  595161404743837 2    733736 2      C-13-H3C(O)CH3
 1032043.1780  0.1163 -5.0492 3 1435.5279B92  595161404743737 1    733836 1      C-13-H3C(O)CH3
 1032044.4677  0.1163 -5.0492 3 1435.5279B92  595161404743837 1    733736 1      C-13-H3C(O)CH3
 1032056.5908  0.1201 -5.0492 3 1435.5164B92  595161404743737 0    733836 0      C-13-H3C(O)CH3
 1032057.7050  0.1202 -5.0492 3 1435.5164B92  595161404743837 0    733736 0      C-13-H3C(O)CH3
 1032187.5421  0.1827 -5.7502 3 1798.0516F44  595161404961383 0    951382 0      C-13-H3C(O)CH3
 1032187.5421  0.1827 -5.5519 3 1798.0516F44  595161404961383 0    951482 0      C-13-H3C(O)CH3
 1032187.5421  0.1827 -5.7502 3 1798.0516F44  595161404961483 0    951482 0      C-13-H3C(O)CH3
 1032187.5421  0.1827 -5.5519 3 1798.0516F44  595161404961483 0    951382 0      C-13-H3C(O)CH3
 1032212.4553  0.0195 -4.8803 3  490.1827696  595161404432716 0    422419 0      C-13-H3C(O)CH3
 1032212.8539  0.1817 -5.3392 3 1798.0690F44  595161404961483 1    951482 1      C-13-H3C(O)CH3
 1032212.8539  0.1817 -5.3392 3 1798.0690F44  595161404961383 1    951382 1      C-13-H3C(O)CH3
 1032214.6809  0.1889 -5.9196 3 1798.0693F44  595161404961383 2    951382 2      C-13-H3C(O)CH3
 1032214.6809  0.1889 -5.4100 3 1798.0693F44  595161404961483 2    951382 2      C-13-H3C(O)CH3
 1032214.6809  0.1889 -5.4710 3 1798.0693F44  595161404961383 2    951482 2      C-13-H3C(O)CH3
 1032240.0231  0.1638 -5.6556 3 1798.0867772  595161404961383 3    951382 3      C-13-H3C(O)CH3
 1032240.0231  0.1638 -5.6556 3 1798.0867772  595161404961483 3    951482 3      C-13-H3C(O)CH3
 1032240.0516  0.1638 -5.6732 3 1798.0867772  595161404961383 4    951482 4      C-13-H3C(O)CH3
 1032240.0516  0.1638 -5.6732 3 1798.0867772  595161404961483 4    951382 4      C-13-H3C(O)CH3
 1032261.4587  0.7443 -5.2136 3 1362.2589B44  595161404714130 0    704229 0      C-13-H3C(O)CH3
 1032301.5644  0.0242 -4.8778 3  490.1577696  595161404432716 2    422419 2      C-13-H3C(O)CH3
 1032342.0412  0.0204 -4.8787 3  490.1627696  595161404432716 1    422419 1      C-13-H3C(O)CH3
 1032355.4486  0.0338 -4.1371 3  921.9039936  595161404583820 0    573721 0      C-13-H3C(O)CH3
 1032404.8614  0.0268 -5.1765 3  490.1377348  595161404432716 3    422419 3      C-13-H3C(O)CH3
 1032461.4052  0.0243 -5.1780 3  490.1377348  595161404432716 4    422419 4      C-13-H3C(O)CH3
 1032507.9791  0.1731 -5.6720 3 1724.5356716  595161404892268 4    882167 4      C-13-H3C(O)CH3
 1032507.9791  0.1731 -5.7124 3 1724.5356716  595161404892168 4    882267 4      C-13-H3C(O)CH3
 1032507.9811  0.1731 -5.7802 3 1724.5356716  595161404892268 3    882267 3      C-13-H3C(O)CH3
 1032507.9811  0.1731 -5.7802 3 1724.5356716  595161404892168 3    882167 3      C-13-H3C(O)CH3
 1032511.1786  0.2315 -5.3370 3 1724.5120E32  595161404892268 1    882167 1      C-13-H3C(O)CH3
 1032511.1786  0.2315 -5.3370 3 1724.5120E32  595161404892168 1    882267 1      C-13-H3C(O)CH3
 1032516.9021  0.2342 -5.3107 3 1724.5147E32  595161404892268 2    882267 2      C-13-H3C(O)CH3
 1032516.9021  0.2342 -5.3107 3 1724.5147E32  595161404892168 2    882167 2      C-13-H3C(O)CH3
 1032520.1055  0.2185 -5.3193 3 1724.4911E32  595161404892268 0    882167 0      C-13-H3C(O)CH3
 1032520.1055  0.2185 -5.3193 3 1724.4911E32  595161404892168 0    882267 0      C-13-H3C(O)CH3
 1032527.5527  0.0223 -4.0931 3  884.1605444  595161404554412 4    544312 4      C-13-H3C(O)CH3
 1032590.1156  0.0191 -3.7920 3  884.1347888  595161404554412 2    544312 2      C-13-H3C(O)CH3
 1032600.3172  0.0448 -4.4421 3  921.9659468  595161404583820 3    573721 3      C-13-H3C(O)CH3
 1032605.8152  0.1416 -5.7051 3 1574.5357644  595161404803249 4    793148 4      C-13-H3C(O)CH3
 1032605.8152  0.1416 -5.7051 3 1574.5357644  595161404803149 4    793248 4      C-13-H3C(O)CH3
 1032605.8152  0.1416 -5.8059 3 1574.5357644  595161404803149 4    793148 4      C-13-H3C(O)CH3
 1032605.8152  0.1416 -5.8059 3 1574.5357644  595161404803249 4    793248 4      C-13-H3C(O)CH3
 1032605.8560  0.1416 -5.5416 3 1574.5357644  595161404803249 3    793248 3      C-13-H3C(O)CH3
 1032605.8560  0.1416 -5.5416 3 1574.5357644  595161404803149 3    793148 3      C-13-H3C(O)CH3
 1032621.2006  0.0683 -4.3450 3  669.7813808  595161404503120 0    492821 0      C-13-H3C(O)CH3
 1032627.7716  0.1619 -5.4501 3 1574.5184C88  595161404803249 1    793248 1      C-13-H3C(O)CH3
 1032627.7716  0.1619 -5.4530 3 1574.5184C88  595161404803249 1    793148 1      C-13-H3C(O)CH3
 1032627.7716  0.1619 -5.4501 3 1574.5184C88  595161404803149 1    793148 1      C-13-H3C(O)CH3
 1032627.7716  0.1619 -5.4530 3 1574.5184C88  595161404803149 1    793248 1      C-13-H3C(O)CH3
 1032629.8296  0.0146 -3.7918 3  884.1361888  595161404554412 1    544311 1      C-13-H3C(O)CH3
 1032631.0253  0.1616 -5.1811 3 1574.5215C88  595161404803249 2    793148 2      C-13-H3C(O)CH3
 1032631.0253  0.1616 -5.1811 3 1574.5215C88  595161404803149 2    793248 2      C-13-H3C(O)CH3
 1032652.9207  0.1641 -5.3606 3 1574.5043C88  595161404803249 0    793248 0      C-13-H3C(O)CH3
 1032652.9207  0.1641 -5.5665 3 1574.5043C88  595161404803249 0    793148 0      C-13-H3C(O)CH3
 1032652.9207  0.1641 -5.1744 3 1574.5043C88  595161404803149 0    793248 0      C-13-H3C(O)CH3
 1032660.4560  0.0230 -4.0931 3  884.1583444  595161404554412 3    544312 3      C-13-H3C(O)CH3
 1032664.4241  0.0209 -4.0930 3  884.1716444  595161404554411 3    544311 3      C-13-H3C(O)CH3
 1032692.2710  0.0127 -3.7917 3  884.1102888 -595161404554411 0    544312 0      C-13-H3C(O)CH3
 1032692.2710  0.0127 -3.7917 3  884.1102888 -595161404554412 0    544311 0      C-13-H3C(O)CH3
 1032727.0576  0.0161 -3.7919 3  884.1457888 -595161404554411 2    544311 2      C-13-H3C(O)CH3
 1032762.8831  0.0139 -3.7918 3  884.1338888  595161404554411 1    544312 1      C-13-H3C(O)CH3
 1032765.4092  0.1215 -4.3015 3  921.9294936  595161404583820 1    573721 1      C-13-H3C(O)CH3
 1032797.8557  0.0218 -4.0930 3  884.1693444  595161404554411 4    544311 4      C-13-H3C(O)CH3
 1032848.7272  0.1791 -4.3443 3  921.9307936  595161404583820 2    573721 2      C-13-H3C(O)CH3
 1033037.9769  0.0127 -4.7292 3  366.0157340  595161404421032 4    41 933 4      C-13-H3C(O)CH3
 1033037.9769  0.0127 -4.7292 3  366.0157340  595161404421132 4    41 833 4      C-13-H3C(O)CH3
 1033038.5900  0.0122 -4.7560 3  366.0157340  595161404421032 3    41 933 3      C-13-H3C(O)CH3
 1033038.5900  0.0122 -4.7560 3  366.0157340  595161404421132 3    41 833 3      C-13-H3C(O)CH3
 1033132.7625  0.0573 -4.3469 3  669.7641808  595161404503120 1    492821 1      C-13-H3C(O)CH3
 1033220.5716  0.0120 -4.7670 3  366.0358680  595161404421132 2    41 833 2      C-13-H3C(O)CH3
 1033220.5716  0.0120 -4.6943 3  366.0358680  595161404421132 2    41 933 2      C-13-H3C(O)CH3
 1033220.5716  0.0120 -5.5104 3  366.0358680  595161404421032 2    41 933 2      C-13-H3C(O)CH3
 1033220.5716  0.0120 -4.4656 3  366.0358680  595161404421032 2    41 833 2      C-13-H3C(O)CH3
 1033224.4786  0.0122 -4.9133 3  366.0365680  595161404421032 1    41 933 1      C-13-H3C(O)CH3
 1033224.4786  0.0122 -4.6002 3  366.0365680  595161404421032 1    41 833 1      C-13-H3C(O)CH3
 1033224.4786  0.0122 -4.9133 3  366.0365680  595161404421132 1    41 833 1      C-13-H3C(O)CH3
 1033224.4786  0.0122 -4.6002 3  366.0365680  595161404421132 1    41 933 1      C-13-H3C(O)CH3
 1033314.1707  0.1468 -5.5913 3 1595.5249652  595161404813051 4    803150 4      C-13-H3C(O)CH3
 1033314.1707  0.1468 -5.5913 3 1595.5249652  595161404813151 4    803050 4      C-13-H3C(O)CH3
 1033314.2082  0.1468 -5.5970 3 1595.5249652  595161404813051 3    803050 3      C-13-H3C(O)CH3
 1033314.2082  0.1468 -5.5970 3 1595.5249652  595161404813151 3    803150 3      C-13-H3C(O)CH3
 1033314.5323  0.0221 -5.3829 3  423.6515316  595161404393010 3    382711 3      C-13-H3C(O)CH3
 1033325.4893  0.0205 -5.0835 3  423.6477632  595161404393010 1    382712 1      C-13-H3C(O)CH3
 1033325.8687  0.0715 -4.3481 3  669.7572808  595161404503120 2    492821 2      C-13-H3C(O)CH3
 1033327.4334  0.0469 -3.6198 3  873.9466840  5951614045251 1 1    5150 1 1      C-13-H3C(O)CH3
 1033335.5134  0.1702 -5.2290 3 1595.5072D04  595161404813051 1    803050 1      C-13-H3C(O)CH3
 1033335.5134  0.1702 -5.2290 3 1595.5072D04  595161404813151 1    803150 1      C-13-H3C(O)CH3
 1033339.2763  0.1697 -5.1744 3 1595.5103D04  595161404813151 2    803050 2      C-13-H3C(O)CH3
 1033339.2763  0.1697 -5.1744 3 1595.5103D04  595161404813051 2    803150 2      C-13-H3C(O)CH3
 1033349.8773  0.0554 -3.9209 3  874.0008420  5951614045251 1 4    5150 1 4      C-13-H3C(O)CH3
 1033360.5633  0.1716 -5.1800 3 1595.4926D04  595161404813051 0    803150 0      C-13-H3C(O)CH3
 1033360.5633  0.1716 -5.1800 3 1595.4926D04  595161404813151 0    803050 0      C-13-H3C(O)CH3
 1033378.5000  1.6510 -5.8340 3 1445.5114588  595161404734330 3    724429 3      C-13-H3C(O)CH3
 1033379.5194  1.6190 -5.8340 3 1445.5114588  595161404734330 4    724429 4      C-13-H3C(O)CH3
 1033388.6930  0.1736 -5.7735 3 1809.1175F60  595161404971385 0    961384 0      C-13-H3C(O)CH3
 1033388.6930  0.1736 -5.5540 3 1809.1175F60  595161404971385 0    961284 0      C-13-H3C(O)CH3
 1033388.6930  0.1736 -5.7735 3 1809.1175F60  595161404971285 0    961284 0      C-13-H3C(O)CH3
 1033388.6930  0.1736 -5.5540 3 1809.1175F60  595161404971285 0    961384 0      C-13-H3C(O)CH3
 1033406.1834  0.0107 -4.4283 3  366.0565680  595161404421032 0    41 833 0      C-13-H3C(O)CH3
 1033406.1834  0.0107 -4.4283 3  366.0565680  595161404421132 0    41 933 0      C-13-H3C(O)CH3
 1033410.8467  0.0235 -4.2819 3  906.9541460  595161404574017 4    563917 4      C-13-H3C(O)CH3
 1033416.8526  0.0446 -3.6196 3  873.8827840  5951614045251 1 0    5150 2 0      C-13-H3C(O)CH3
 1033416.8526  0.0446 -3.6196 3  873.8827840  5951614045251 2 0    5150 1 0      C-13-H3C(O)CH3
 1033417.7957  0.1703 -5.3595 3 1809.1320F60  595161404971285 1    961284 1      C-13-H3C(O)CH3
 1033417.7957  0.1703 -5.3595 3 1809.1320F60  595161404971385 1    961384 1      C-13-H3C(O)CH3
 1033419.0336  0.1747 -5.4623 3 1809.1320F60  595161404971385 2    961384 2      C-13-H3C(O)CH3
 1033419.0336  0.1747 -5.4623 3 1809.1320F60  595161404971285 2    961284 2      C-13-H3C(O)CH3
 1033439.0533  0.0464 -3.6197 3  873.9368840  5951614045251 1 2    5150 1 2      C-13-H3C(O)CH3
 1033443.3105  0.0190 -5.0836 3  423.6774632  595161404393010 0    382711 0      C-13-H3C(O)CH3
 1033447.6779  0.0223 -4.1756 3  894.4858452  595161404564215 4    554115 4      C-13-H3C(O)CH3
 1033447.7899  0.0189 -3.9806 3  906.9098920  595161404574017 2    563917 2      C-13-H3C(O)CH3
 1033448.1668  0.1611 -5.6743 3 1809.1465780  595161404971285 3    961384 3      C-13-H3C(O)CH3
 1033448.1668  0.1611 -5.6743 3 1809.1465780  595161404971385 3    961284 3      C-13-H3C(O)CH3
 1033448.1987  0.1611 -5.7796 3 1809.1465780  595161404971385 4    961284 4      C-13-H3C(O)CH3
 1033448.1987  0.1611 -5.7796 3 1809.1465780  595161404971285 4    961384 4      C-13-H3C(O)CH3
 1033458.4722  0.0195 -5.0821 3  423.6805632  5951614043930 9 2    382711 2      C-13-H3C(O)CH3
 1033472.8567  0.0242 -5.3830 3  423.6256316  595161404393010 4    382712 4      C-13-H3C(O)CH3
 1033474.2489  0.0191 -3.9806 3  906.8998920  595161404574017 1    563917 1      C-13-H3C(O)CH3
 1033487.5902  0.1021 -5.3448 3 1409.9199588  595161404733835 4    723934 4      C-13-H3C(O)CH3
 1033487.6113  0.1022 -5.3448 3 1409.9198588  595161404733835 3    723934 3      C-13-H3C(O)CH3
 1033494.1140  0.1094 -5.0437 3 1409.9095B76  595161404733835 2    723934 2      C-13-H3C(O)CH3
 1033496.7506  0.1087 -5.0438 3 1409.9057B76  595161404733835 1    723934 1      C-13-H3C(O)CH3
 1033496.7515  0.0600 -3.9207 3  873.9595420  5951614045251 2 3    5150 2 3      C-13-H3C(O)CH3
 1033497.0028  0.0190 -5.0836 3  423.6756632  5951614043930 9 0    382712 0      C-13-H3C(O)CH3
 1033503.2261  0.1124 -5.0437 3 1409.8953B76  595161404733835 0    723934 0      C-13-H3C(O)CH3
 1033505.2425  0.0165 -3.9802 3  906.8557920 -595161404574018 0    563917 0      C-13-H3C(O)CH3
 1033516.2032  0.0184 -3.8743 3  894.4528904  595161404564215 2    554115 2      C-13-H3C(O)CH3
 1033518.2328  0.0165 -3.9802 3  906.8554920  595161404574017 0    563918 0      C-13-H3C(O)CH3
 1033525.9134  0.1002 -5.3448 3 1409.9189588  595161404733935 4    723834 4      C-13-H3C(O)CH3
 1033525.9742  0.1002 -5.3448 3 1409.9189588  595161404733935 3    723834 3      C-13-H3C(O)CH3
 1033528.9193  0.1088 -5.0437 3 1409.9086B76  595161404733935 2    723834 2      C-13-H3C(O)CH3
 1033534.2835  0.1093 -5.0437 3 1409.9047B76  595161404733935 1    723834 1      C-13-H3C(O)CH3
 1033537.2625  0.1140 -5.0436 3 1409.8944B76  595161404733935 0    723834 0      C-13-H3C(O)CH3
 1033553.9324  0.0149 -3.8742 3  894.4450904  595161404564215 1    554114 1      C-13-H3C(O)CH3
 1033561.6026  0.0230 -5.3805 3  423.6653316  5951614043930 9 4    382711 4      C-13-H3C(O)CH3
 1033562.0592  0.0545 -3.6196 3  873.9290840  5951614045251 2 1    5150 2 1      C-13-H3C(O)CH3
 1033565.6297  0.0196 -5.0831 3  423.6616632  5951614043930 9 1    382711 1      C-13-H3C(O)CH3
 1033584.8762  0.0576 -3.9207 3  873.9831420  5951614045251 1 3    5150 1 3      C-13-H3C(O)CH3
 1033585.5227  0.0597 -3.6195 3  873.8956840  5951614045251 2 2    5150 2 2      C-13-H3C(O)CH3
 1033592.6753  0.0255 -4.2839 3  906.9401460  595161404574017 3    563917 3      C-13-H3C(O)CH3
 1033597.4815  0.1755 -5.7372 3 1739.9121724  595161404902170 3    892069 3      C-13-H3C(O)CH3
 1033597.4815  0.1755 -5.7372 3 1739.9121724  595161404902070 3    892169 3      C-13-H3C(O)CH3
 1033597.4834  0.1755 -5.6127 3 1739.9121724  595161404902070 4    892069 4      C-13-H3C(O)CH3
 1033597.4834  0.1755 -5.6127 3 1739.9121724  595161404902170 4    892169 4      C-13-H3C(O)CH3
 1033597.6507  0.2359 -5.3173 3 1739.8881E48  595161404902070 1    892169 1      C-13-H3C(O)CH3
 1033597.6507  0.2359 -5.3173 3 1739.8881E48  595161404902170 1    892069 1      C-13-H3C(O)CH3
 1033603.2101  0.2398 -5.3061 3 1739.8906E48  595161404902070 2    892169 2      C-13-H3C(O)CH3
 1033603.2101  0.2398 -5.3061 3 1739.8906E48  595161404902170 2    892069 2      C-13-H3C(O)CH3
 1033603.3881  0.2218 -5.5663 3 1739.8666E48  595161404902070 0    892069 0      C-13-H3C(O)CH3
 1033603.3881  0.2218 -5.6443 3 1739.8666E48  595161404902070 0    892169 0      C-13-H3C(O)CH3
 1033603.3881  0.2218 -5.5663 3 1739.8666E48  595161404902170 0    892169 0      C-13-H3C(O)CH3
 1033603.3881  0.2218 -5.6443 3 1739.8666E48  595161404902170 0    892069 0      C-13-H3C(O)CH3
 1033606.7128  0.0232 -4.1754 3  894.4835452  595161404564215 3    554115 3      C-13-H3C(O)CH3
 1033608.5472  0.0089 -4.1795 3  486.2437728  595161404451827 0    441728 0      C-13-H3C(O)CH3
 1033608.5474  0.0089 -4.1795 3  486.2437728  595161404451927 0    441628 0      C-13-H3C(O)CH3
 1033620.2132  0.0201 -5.0843 3  423.6546632  595161404393010 2    382712 2      C-13-H3C(O)CH3
 1033622.1588  0.0110 -3.8739 3  894.4120904 -595161404564214 0    554115 0      C-13-H3C(O)CH3
 1033622.1588  0.0110 -3.8739 3  894.4120904 -595161404564215 0    554114 0      C-13-H3C(O)CH3
 1033623.9002  0.0262 -4.2837 3  906.9368460  595161404574018 3    563918 3      C-13-H3C(O)CH3
 1033631.4939  0.0212 -4.1753 3  894.4885452  595161404564214 3    554114 3      C-13-H3C(O)CH3
 1033656.7829  0.0178 -3.9802 3  906.8858920 -595161404574018 1    563918 1      C-13-H3C(O)CH3
 1033661.1952  0.0196 -3.9800 3  906.8925920 -595161404574018 2    563918 2      C-13-H3C(O)CH3
 1033665.6989  0.3071 -4.9293 3  921.9494468  595161404583820 4    573721 4      C-13-H3C(O)CH3
 1033692.3685  0.0114 -4.1792 3  486.2158728  595161404451827 2    441728 2      C-13-H3C(O)CH3
 1033692.3688  0.0114 -4.1792 3  486.2158728  595161404451927 2    441628 2      C-13-H3C(O)CH3
 1033696.1895  0.0104 -4.1791 3  486.2171728  595161404451827 1    441728 1      C-13-H3C(O)CH3
 1033696.1898  0.0104 -4.1791 3  486.2171728  595161404451927 1    441628 1      C-13-H3C(O)CH3
 1033699.9934  0.0171 -3.8740 3  894.4554904  595161404564214 2    554114 2      C-13-H3C(O)CH3
 1033712.8598  0.0151 -3.8740 3  894.4427904  595161404564214 1    554115 1      C-13-H3C(O)CH3
 1033722.1622  0.0226 -5.3848 3  423.6394316  5951614043930 9 3    382712 3      C-13-H3C(O)CH3
 1033731.0522  0.0779 -3.9205 3  873.9418420  5951614045251 2 4    5150 2 4      C-13-H3C(O)CH3
 1033780.1601  0.0128 -4.4799 3  486.1892364  595161404451827 4    441728 4      C-13-H3C(O)CH3
 1033780.1604  0.0128 -4.4799 3  486.1892364  595161404451927 4    441628 4      C-13-H3C(O)CH3
 1033780.1683  0.0128 -4.4799 3  486.1892364  595161404451827 3    441728 3      C-13-H3C(O)CH3
 1033780.1686  0.0128 -4.4799 3  486.1892364  595161404451927 3    441628 3      C-13-H3C(O)CH3
 1033790.7651  0.0241 -4.1751 3  894.4862452  595161404564214 4    554114 4      C-13-H3C(O)CH3
 1033792.6390  1.4204 -5.5319 3 1445.4975B76  595161404734330 1    724429 1      C-13-H3C(O)CH3
 1033805.0842  0.0511 -4.6515 3  669.7400404  595161404503120 4    492821 4      C-13-H3C(O)CH3
 1033805.7901  0.0298 -4.2808 3  906.9229460  595161404574018 4    563918 4      C-13-H3C(O)CH3
 1033878.3311  0.0571 -4.6506 3  669.7398404  595161404503120 3    492821 3      C-13-H3C(O)CH3
 1034098.6896  0.1518 -5.4925 3 1615.9321660  595161404822953 4    812952 4      C-13-H3C(O)CH3
 1034098.6896  0.1518 -5.4925 3 1615.9321660  595161404823053 4    813052 4      C-13-H3C(O)CH3
 1034098.7238  0.1518 -5.5982 3 1615.9321660  595161404823053 3    812952 3      C-13-H3C(O)CH3
 1034098.7238  0.1518 -5.5982 3 1615.9321660  595161404822953 3    813052 3      C-13-H3C(O)CH3
 1034119.1629  0.1788 -5.2202 3 1615.9139D20  595161404823053 1    812952 1      C-13-H3C(O)CH3
 1034119.1629  0.1788 -5.2202 3 1615.9139D20  595161404822953 1    813052 1      C-13-H3C(O)CH3
 1034123.3949  0.1781 -5.4942 3 1615.9170D20  595161404822953 2    812952 2      C-13-H3C(O)CH3
 1034123.3949  0.1781 -5.4903 3 1615.9170D20  595161404822953 2    813052 2      C-13-H3C(O)CH3
 1034123.3949  0.1781 -5.4903 3 1615.9170D20  595161404823053 2    812952 2      C-13-H3C(O)CH3
 1034123.3949  0.1781 -5.4942 3 1615.9170D20  595161404823053 2    813052 2      C-13-H3C(O)CH3
 1034143.8181  0.1790 -5.2091 3 1615.8988D20  595161404822953 0    813052 0      C-13-H3C(O)CH3
 1034143.8181  0.1790 -5.2091 3 1615.8988D20  595161404823053 0    812952 0      C-13-H3C(O)CH3
 1034338.7845  0.0171 -4.9654 3  322.0625332  59516140441 734 4    40 635 4      C-13-H3C(O)CH3
 1034338.7845  0.0171 -4.9654 3  322.0625332  59516140441 834 4    40 535 4      C-13-H3C(O)CH3
 1034339.4368  0.0159 -4.9598 3  322.0625332  59516140441 834 3    40 635 3      C-13-H3C(O)CH3
 1034339.4368  0.0159 -4.9598 3  322.0625332  59516140441 734 3    40 535 3      C-13-H3C(O)CH3
 1034403.1544  0.0324 -5.4026 3  394.3229632  595161404392316 2    382019 2      C-13-H3C(O)CH3
 1034502.1597  0.0356 -5.7019 3  394.2985316  595161404392316 3    382019 3      C-13-H3C(O)CH3
 1034508.4155  0.0353 -5.7019 3  394.2985316  595161404392316 4    382019 4      C-13-H3C(O)CH3
 1034525.9104  1.8920 -5.5300 3 1445.4943B76  595161404734330 2    724429 2      C-13-H3C(O)CH3
 1034604.6993  0.1655 -5.6314 3 1819.6563F76  595161404981187 0    971286 0      C-13-H3C(O)CH3
 1034604.6993  0.1655 -5.6895 3 1819.6563F76  595161404981187 0    971186 0      C-13-H3C(O)CH3
 1034604.6993  0.1655 -5.6895 3 1819.6563F76  595161404981287 0    971286 0      C-13-H3C(O)CH3
 1034604.6993  0.1655 -5.6314 3 1819.6563F76  595161404981287 0    971186 0      C-13-H3C(O)CH3
 1034636.8159  0.1627 -5.7531 3 1819.6669F76  595161404981187 1    971186 1      C-13-H3C(O)CH3
 1034636.8159  0.1627 -5.5825 3 1819.6669F76  595161404981187 1    971286 1      C-13-H3C(O)CH3
 1034636.8159  0.1627 -5.3850 3 1819.6669F76  595161404981287 1    971286 1      C-13-H3C(O)CH3
 1034637.5363  0.1628 -5.4088 3 1819.6667F76  595161404981187 2    971186 2      C-13-H3C(O)CH3
 1034637.5363  0.1628 -5.4169 3 1819.6667F76  595161404981287 2    971286 2      C-13-H3C(O)CH3
 1034669.6816  0.1578 -5.6885 3 1819.6773788  595161404981287 3    971186 3      C-13-H3C(O)CH3
 1034669.6816  0.1578 -5.6885 3 1819.6773788  595161404981187 3    971286 3      C-13-H3C(O)CH3
 1034669.7168  0.1578 -5.9069 3 1819.6773788  595161404981187 4    971186 4      C-13-H3C(O)CH3
 1034669.7168  0.1578 -5.9069 3 1819.6773788  595161404981287 4    971286 4      C-13-H3C(O)CH3
 1034683.1639  0.0209 -5.4050 3  394.3514632  595161404392316 0    382019 0      C-13-H3C(O)CH3
 1034701.9743  0.2384 -5.3200 3 1754.7243E64  595161404911972 1    902071 1      C-13-H3C(O)CH3
 1034701.9743  0.2384 -5.3200 3 1754.7243E64  595161404912072 1    901971 1      C-13-H3C(O)CH3
 1034704.1575  0.2238 -5.3730 3 1754.7022E64  595161404912072 0    901971 0      C-13-H3C(O)CH3
 1034704.1575  0.2238 -5.3730 3 1754.7022E64  595161404911972 0    902071 0      C-13-H3C(O)CH3
 1034705.0957  0.1776 -5.7176 3 1754.7485732  595161404911972 3    901971 3      C-13-H3C(O)CH3
 1034705.0957  0.1776 -5.7176 3 1754.7485732  595161404912072 3    902071 3      C-13-H3C(O)CH3
 1034705.1013  0.1775 -5.6205 3 1754.7485732  595161404911972 4    901971 4      C-13-H3C(O)CH3
 1034705.1013  0.1775 -5.6205 3 1754.7485732  595161404912072 4    902071 4      C-13-H3C(O)CH3
 1034707.2671  0.2437 -5.3208 3 1754.7265E64  595161404911972 2    901971 2      C-13-H3C(O)CH3
 1034707.2671  0.2437 -5.3208 3 1754.7265E64  595161404912072 2    902071 2      C-13-H3C(O)CH3
 1034753.2641  0.0131 -4.6924 3  322.0646664  59516140441 734 2    40 635 2      C-13-H3C(O)CH3
 1034753.2641  0.0131 -4.6924 3  322.0646664  59516140441 834 2    40 535 2      C-13-H3C(O)CH3
 1034753.2641  0.0131 -5.7487 3  322.0646664  59516140441 734 2    40 535 2      C-13-H3C(O)CH3
 1034753.2641  0.0131 -5.7487 3  322.0646664  59516140441 834 2    40 635 2      C-13-H3C(O)CH3
 1034756.2953  0.0140 -5.6397 3  322.0651664  59516140441 834 1    40 535 1      C-13-H3C(O)CH3
 1034756.2953  0.0140 -4.7036 3  322.0651664  59516140441 834 1    40 635 1      C-13-H3C(O)CH3
 1034756.2953  0.0140 -5.6397 3  322.0651664  59516140441 734 1    40 635 1      C-13-H3C(O)CH3
 1034756.2953  0.0140 -4.7036 3  322.0651664  59516140441 734 1    40 535 1      C-13-H3C(O)CH3
 1034780.8873  0.0231 -5.4035 3  394.3271632  595161404392316 1    382019 1      C-13-H3C(O)CH3
 1034938.1484  1.5184 -5.5289 3 1445.4805B76  595161404734330 0    724429 0      C-13-H3C(O)CH3
 1034944.4533  0.1566 -5.9075 3 1635.7655668  595161404832955 4    822854 4      C-13-H3C(O)CH3
 1034944.4533  0.1566 -5.7364 3 1635.7655668  595161404832855 4    822854 4      C-13-H3C(O)CH3
 1034944.4533  0.1566 -5.9075 3 1635.7655668  595161404832855 4    822954 4      C-13-H3C(O)CH3
 1034944.4533  0.1566 -5.7364 3 1635.7655668  595161404832955 4    822954 4      C-13-H3C(O)CH3
 1034944.4840  0.1566 -5.5428 3 1635.7654668  595161404832855 3    822854 3      C-13-H3C(O)CH3
 1034944.4840  0.1566 -5.5428 3 1635.7654668  595161404832955 3    822954 3      C-13-H3C(O)CH3
 1034963.8209  0.1875 -5.6357 3 1635.7466D36  595161404832955 1    822954 1      C-13-H3C(O)CH3
 1034963.8209  0.1875 -5.4167 3 1635.7466D36  595161404832855 1    822954 1      C-13-H3C(O)CH3
 1034963.8209  0.1875 -5.4167 3 1635.7466D36  595161404832955 1    822854 1      C-13-H3C(O)CH3
 1034963.8209  0.1875 -5.6357 3 1635.7466D36  595161404832855 1    822854 1      C-13-H3C(O)CH3
 1034968.4817  0.1867 -5.2300 3 1635.7498D36  595161404832855 2    822854 2      C-13-H3C(O)CH3
 1034968.4817  0.1867 -5.2300 3 1635.7498D36  595161404832955 2    822954 2      C-13-H3C(O)CH3
 1034987.8051  0.1864 -5.8081 3 1635.7311D36  595161404832955 0    822954 0      C-13-H3C(O)CH3
 1034987.8051  0.1864 -5.3382 3 1635.7311D36  595161404832955 0    822854 0      C-13-H3C(O)CH3
 1034987.8051  0.1864 -5.8081 3 1635.7311D36  595161404832855 0    822854 0      C-13-H3C(O)CH3
 1034987.8051  0.1864 -5.3382 3 1635.7311D36  595161404832855 0    822954 0      C-13-H3C(O)CH3
 1035049.5540  0.0293 -5.3993 3  277.4836324  59516140440 536 4    39 337 4      C-13-H3C(O)CH3
 1035049.5540  0.0293 -5.4211 3  277.4836324  59516140440 436 4    39 237 4      C-13-H3C(O)CH3
 1035049.5982  0.0275 -5.4124 3  277.4836324  59516140440 536 3    39 237 3      C-13-H3C(O)CH3
 1035049.5982  0.0275 -5.4124 3  277.4836324  59516140440 436 3    39 337 3      C-13-H3C(O)CH3
 1035169.3870  0.0126 -5.1351 3  322.0673664  59516140441 734 0    40 535 0      C-13-H3C(O)CH3
 1035169.3870  0.0126 -5.1351 3  322.0673664  59516140441 834 0    40 635 0      C-13-H3C(O)CH3
 1035169.3870  0.0126 -4.8303 3  322.0673664  59516140441 734 0    40 635 0      C-13-H3C(O)CH3
 1035169.3870  0.0126 -4.8303 3  322.0673664  59516140441 834 0    40 535 0      C-13-H3C(O)CH3
 1035360.8078  0.0335 -3.9668 3  878.5543428  5951614045349 4 4    5248 4 4      C-13-H3C(O)CH3
 1035366.2326  0.0271 -3.6658 3  878.5284856  5951614045349 4 1    5248 4 1      C-13-H3C(O)CH3
 1035409.6190  0.0273 -3.6657 3  878.5083856  5951614045349 4 2    5248 4 2      C-13-H3C(O)CH3
 1035415.6097  0.0255 -3.6657 3  878.4823856  5951614045349 5 0    5248 4 0      C-13-H3C(O)CH3
 1035415.6097  0.0255 -3.6657 3  878.4823856  5951614045349 4 0    5248 5 0      C-13-H3C(O)CH3
 1035452.1498  0.0367 -3.9668 3  878.5349428  5951614045349 5 3    5248 4 3      C-13-H3C(O)CH3
 1035501.2727  0.0334 -3.6656 3  878.4888856  5951614045349 5 2    5248 5 2      C-13-H3C(O)CH3
 1035530.5399  0.0360 -3.9666 3  878.5348428  5951614045349 4 3    5248 5 3      C-13-H3C(O)CH3
 1035536.3507  0.0316 -3.6656 3  878.5090856  5951614045349 5 1    5248 5 1      C-13-H3C(O)CH3
 1035621.6456  0.0468 -3.9666 3  878.5154428  5951614045349 5 4    5248 5 4      C-13-H3C(O)CH3
 1035715.8766  0.0215 -5.5929 3  349.7213600  595161404372116 2    361819 2      C-13-H3C(O)CH3
 1035747.0039  1.1884 -5.6660 3 1403.6038580  595161404724230 3    714329 3      C-13-H3C(O)CH3
 1035749.7338  1.1639 -5.6660 3 1403.6038580  595161404724230 4    714329 4      C-13-H3C(O)CH3
 1035812.7862  0.0283 -5.0958 3  277.4514648  59516140440 536 2    39 337 2      C-13-H3C(O)CH3
 1035812.7862  0.0283 -5.0958 3  277.4514648  59516140440 436 2    39 237 2      C-13-H3C(O)CH3
 1035814.4828  0.0307 -5.1331 3  277.4518648  59516140440 436 1    39 337 1      C-13-H3C(O)CH3
 1035814.4828  0.0307 -5.1331 3  277.4518648  59516140440 536 1    39 237 1      C-13-H3C(O)CH3
 1035821.2351  0.2242 -5.3658 3 1769.0000E80  595161404921974 0    911973 0      C-13-H3C(O)CH3
 1035821.2351  0.2242 -5.3658 3 1769.0000E80  595161404921874 0    911873 0      C-13-H3C(O)CH3
 1035822.9576  0.2385 -5.4460 3 1769.0223E80  595161404921974 1    911973 1      C-13-H3C(O)CH3
 1035822.9576  0.2385 -5.4460 3 1769.0223E80  595161404921874 1    911873 1      C-13-H3C(O)CH3
 1035825.9390  0.0250 -5.8920 3  349.6967300  595161404372116 3    361819 3      C-13-H3C(O)CH3
 1035827.8821  0.2451 -5.3434 3 1769.0242E80  595161404921974 2    911873 2      C-13-H3C(O)CH3
 1035827.8821  0.2451 -5.3434 3 1769.0242E80  595161404921874 2    911973 2      C-13-H3C(O)CH3
 1035829.6197  0.1791 -5.6511 3 1769.0466740  595161404921974 3    911973 3      C-13-H3C(O)CH3
 1035829.6197  0.1791 -5.6511 3 1769.0466740  595161404921874 3    911873 3      C-13-H3C(O)CH3
 1035829.6290  0.1791 -5.6373 3 1769.0466740  595161404921974 4    911873 4      C-13-H3C(O)CH3
 1035829.6290  0.1791 -5.6373 3 1769.0466740  595161404921874 4    911973 4      C-13-H3C(O)CH3
 1035833.2611  0.0238 -5.8921 3  349.6967300  595161404372116 4    361819 4      C-13-H3C(O)CH3
 1035836.1232  0.1596 -5.5050 3 1829.6691F92  595161404991189 0    981188 0      C-13-H3C(O)CH3
 1035836.1232  0.1596 -5.5050 3 1829.6691F92  595161404991089 0    981088 0      C-13-H3C(O)CH3
 1035840.3502  0.1612 -5.5747 3 1655.0316676  595161404842857 4    832756 4      C-13-H3C(O)CH3
 1035840.3502  0.1612 -5.5747 3 1655.0316676  595161404842757 4    832856 4      C-13-H3C(O)CH3
 1035840.3774  0.1613 -5.6414 3 1655.0316676  595161404842857 3    832856 3      C-13-H3C(O)CH3
 1035840.3774  0.1613 -5.6414 3 1655.0316676  595161404842757 3    832756 3      C-13-H3C(O)CH3
 1035853.6694  0.2831 -5.3893 3 1355.9131572  595161404714031 3    704130 3      C-13-H3C(O)CH3
 1035855.0129  0.2761 -5.3893 3 1355.9130572  595161404714031 4    704130 4      C-13-H3C(O)CH3
 1035858.3852  0.1963 -5.3281 3 1655.0122D52  595161404842857 1    832756 1      C-13-H3C(O)CH3
 1035858.3852  0.1963 -5.3281 3 1655.0122D52  595161404842757 1    832856 1      C-13-H3C(O)CH3
 1035863.4309  0.1955 -5.2614 3 1655.0154D52  595161404842757 2    832756 2      C-13-H3C(O)CH3
 1035863.4309  0.1955 -5.2614 3 1655.0154D52  595161404842857 2    832856 2      C-13-H3C(O)CH3
 1035870.0943  0.1614 -5.3746 3 1829.6747F92  595161404991089 1    981188 1      C-13-H3C(O)CH3
 1035870.0943  0.1614 -5.3746 3 1829.6747F92  595161404991189 1    981088 1      C-13-H3C(O)CH3
 1035870.4033  0.1564 -5.7037 3 1829.6745F92  595161404991089 2    981188 2      C-13-H3C(O)CH3
 1035870.4033  0.1564 -5.7037 3 1829.6745F92  595161404991189 2    981088 2      C-13-H3C(O)CH3
 1035870.4033  0.1564 -5.6352 3 1829.6745F92  595161404991189 2    981188 2      C-13-H3C(O)CH3
 1035870.4033  0.1564 -5.6352 3 1829.6745F92  595161404991089 2    981088 2      C-13-H3C(O)CH3
 1035881.4276  0.1938 -5.2432 3 1654.9960D52  595161404842857 0    832756 0      C-13-H3C(O)CH3
 1035881.4276  0.1938 -5.2432 3 1654.9960D52  595161404842757 0    832856 0      C-13-H3C(O)CH3
 1035881.8728  0.0160 -5.5939 3  349.7496600  595161404372116 0    361819 0      C-13-H3C(O)CH3
 1035904.3988  0.1541 -5.6832 3 1829.6801796  595161404991189 3    981188 3      C-13-H3C(O)CH3
 1035904.3988  0.1541 -5.6832 3 1829.6801796  595161404991089 3    981088 3      C-13-H3C(O)CH3
 1035904.4367  0.1541 -5.6723 3 1829.6801796  595161404991189 4    981188 4      C-13-H3C(O)CH3
 1035904.4367  0.1541 -5.6723 3 1829.6801796  595161404991089 4    981088 4      C-13-H3C(O)CH3
 1035926.2799  0.2582 -5.0879 3 1355.9009B44  595161404714031 1    704130 1      C-13-H3C(O)CH3
 1035953.3631  0.1064 -5.3506 3 1383.4122580  595161404723933 3    714032 3      C-13-H3C(O)CH3
 1035953.5433  0.1057 -5.3506 3 1383.4122580  595161404723933 4    714032 4      C-13-H3C(O)CH3
 1035957.9351  0.1029 -5.0494 3 1383.3992B60  595161404723933 1    714032 1      C-13-H3C(O)CH3
 1035966.4555  0.1092 -5.0493 3 1383.4035B60  595161404723933 2    714032 2      C-13-H3C(O)CH3
 1035970.6853  0.1030 -5.0493 3 1383.3905B60  595161404723933 0    714032 0      C-13-H3C(O)CH3
 1035992.1261  0.0187 -5.5923 3  349.7250600  595161404372116 1    361819 1      C-13-H3C(O)CH3
 1036048.1913  0.3237 -5.0875 3 1355.9044B44  595161404714031 2    704130 2      C-13-H3C(O)CH3
 1036107.1144  1.0432 -5.3638 3 1403.5902B60  595161404724230 1    714329 1      C-13-H3C(O)CH3
 1036117.9920  0.2663 -5.0871 3 1355.8923B44  595161404714031 0    704130 0      C-13-H3C(O)CH3
 1036465.0694  0.2238 -4.4700 3 1010.3812984  595161404613824 0    603723 0      C-13-H3C(O)CH3
 1036576.0648  0.0265 -5.1931 3  277.4197648  59516140440 536 0    39 237 0      C-13-H3C(O)CH3
 1036576.0648  0.0265 -5.7888 3  277.4197648  59516140440 436 0    39 237 0      C-13-H3C(O)CH3
 1036576.0648  0.0265 -5.1931 3  277.4197648  59516140440 436 0    39 337 0      C-13-H3C(O)CH3
 1036576.0648  0.0265 -5.7888 3  277.4197648  59516140440 536 0    39 337 0      C-13-H3C(O)CH3
 1036589.1218  0.0270 -5.5047 3  371.7426616  595161404382216 2    371919 2      C-13-H3C(O)CH3
 1036654.8764  1.3746 -5.3622 3 1403.5894B60  595161404724230 2    714329 2      C-13-H3C(O)CH3
 1036702.0437  0.0307 -5.8040 3  371.7179308  595161404382216 3    371919 3      C-13-H3C(O)CH3
 1036710.0828  0.0297 -5.8040 3  371.7179308  595161404382216 4    371919 4      C-13-H3C(O)CH3
 1036758.1737  0.1232 -5.0485 3 1383.3708B60  595161404724033 0    713932 0      C-13-H3C(O)CH3
 1036770.8877  0.1057 -5.0485 3 1383.3833B60  595161404724033 2    713932 2      C-13-H3C(O)CH3
 1036777.9845  0.1657 -5.8352 3 1673.7361684  595161404852659 4    842658 4      C-13-H3C(O)CH3
 1036777.9845  0.1657 -5.8727 3 1673.7361684  595161404852659 4    842758 4      C-13-H3C(O)CH3
 1036777.9845  0.1657 -5.8352 3 1673.7361684  595161404852759 4    842758 4      C-13-H3C(O)CH3
 1036777.9845  0.1657 -5.8727 3 1673.7361684  595161404852759 4    842658 4      C-13-H3C(O)CH3
 1036778.0079  0.1657 -5.6574 3 1673.7361684  595161404852759 3    842758 3      C-13-H3C(O)CH3
 1036778.0079  0.1657 -5.6574 3 1673.7361684  595161404852659 3    842658 3      C-13-H3C(O)CH3
 1036794.4615  0.2053 -5.2569 3 1673.7160D68  595161404852659 1    842758 1      C-13-H3C(O)CH3
 1036794.4615  0.2053 -5.2569 3 1673.7160D68  595161404852759 1    842658 1      C-13-H3C(O)CH3
 1036797.3877  0.1113 -5.0486 3 1383.3782B60  595161404724033 1    713932 1      C-13-H3C(O)CH3
 1036799.8421  0.2045 -5.2997 3 1673.7193D68  595161404852659 2    842758 2      C-13-H3C(O)CH3
 1036799.8421  0.2045 -5.2997 3 1673.7193D68  595161404852759 2    842658 2      C-13-H3C(O)CH3
 1036810.3887  0.0841 -5.3497 3 1383.3908580  595161404724033 4    713932 4      C-13-H3C(O)CH3
 1036810.5944  0.0843 -5.3497 3 1383.3908580  595161404724033 3    713932 3      C-13-H3C(O)CH3
 1036816.2868  0.2009 -5.7641 3 1673.6992D68  595161404852659 0    842758 0      C-13-H3C(O)CH3
 1036816.2868  0.2009 -5.4107 3 1673.6992D68  595161404852659 0    842658 0      C-13-H3C(O)CH3
 1036816.2868  0.2009 -5.4107 3 1673.6992D68  595161404852759 0    842758 0      C-13-H3C(O)CH3
 1036816.2868  0.2009 -5.7641 3 1673.6992D68  595161404852759 0    842658 0      C-13-H3C(O)CH3
 1036817.3046  0.0187 -5.5063 3  371.7712616  595161404382216 0    371919 0      C-13-H3C(O)CH3
 1036930.0942  0.0216 -5.5047 3  371.7466616  595161404382216 1    371919 1      C-13-H3C(O)CH3
 1036953.7468  0.2226 -5.3629 3 1782.7617E96  595161404931776 0    921875 0      C-13-H3C(O)CH3
 1036953.7468  0.2226 -5.3629 3 1782.7617E96  595161404931876 0    921775 0      C-13-H3C(O)CH3
 1036959.6937  0.2358 -5.3496 3 1782.7841E96  595161404931776 1    921775 1      C-13-H3C(O)CH3
 1036959.6937  0.2358 -5.3496 3 1782.7841E96  595161404931876 1    921875 1      C-13-H3C(O)CH3
 1036964.1546  0.2437 -5.5905 3 1782.7857E96  595161404931776 2    921875 2      C-13-H3C(O)CH3
 1036964.1546  0.2437 -5.5905 3 1782.7857E96  595161404931876 2    921775 2      C-13-H3C(O)CH3
 1036964.1546  0.2437 -5.7159 3 1782.7857E96  595161404931776 2    921775 2      C-13-H3C(O)CH3
 1036964.1546  0.2437 -5.7159 3 1782.7857E96  595161404931876 2    921875 2      C-13-H3C(O)CH3
 1036970.1200  0.1800 -5.6550 3 1782.8082748  595161404931776 3    921775 3      C-13-H3C(O)CH3
 1036970.1200  0.1800 -5.6550 3 1782.8082748  595161404931876 3    921875 3      C-13-H3C(O)CH3
 1036970.1328  0.1800 -5.7741 3 1782.8082748  595161404931876 4    921875 4      C-13-H3C(O)CH3
 1036970.1328  0.1800 -5.6731 3 1782.8082748  595161404931776 4    921775 4      C-13-H3C(O)CH3
 1037010.4499  1.1151 -5.3611 3 1403.5759B60  595161404724230 0    714329 0      C-13-H3C(O)CH3
 1037083.6803  0.1566 -5.3909 3 1839.1573G08  595161404A0 991 0    991090 0      C-13-H3C(O)CH3
 1037083.6803  0.1566 -5.3909 3 1839.1573G08  595161404A01091 0    99 990 0      C-13-H3C(O)CH3
 1037099.9236  0.2615 -4.4683 3 1010.3814984  595161404613824 2    603723 2      C-13-H3C(O)CH3
 1037117.9118  0.1669 -5.3750 3 1839.1569G08  595161404A0 991 1    99 990 1      C-13-H3C(O)CH3
 1037117.9118  0.1669 -5.3988 3 1839.1569G08  595161404A01091 1    991090 1      C-13-H3C(O)CH3
 1037117.9416  0.1576 -5.4165 3 1839.1566G08  595161404A01091 2    991090 2      C-13-H3C(O)CH3
 1037117.9416  0.1576 -5.4165 3 1839.1566G08  595161404A0 991 2    99 990 2      C-13-H3C(O)CH3
 1037124.5747  0.0632 -4.5232 3  659.8535404  595161404502822 3    492723 3      C-13-H3C(O)CH3
 1037128.3902  0.0639 -4.5232 3  659.8535404  595161404502822 4    492723 4      C-13-H3C(O)CH3
 1037139.8901  0.1874 -4.4683 3 1010.3806984  595161404613824 1    603723 1      C-13-H3C(O)CH3
 1037152.2298  0.1497 -5.7397 3 1839.1561804  595161404A01091 4    99 990 4      C-13-H3C(O)CH3
 1037152.2298  0.1497 -5.7397 3 1839.1561804  595161404A0 991 4    991090 4      C-13-H3C(O)CH3
 1037175.3929  0.0245 -4.0204 3  884.7040436  5951614045447 7 4    5346 7 4      C-13-H3C(O)CH3
 1037193.6213  0.0633 -4.2223 3  659.8636808  595161404502822 2    492723 2      C-13-H3C(O)CH3
 1037220.9361  0.0206 -3.7193 3  884.6728872  5951614045447 8 2    5346 8 2      C-13-H3C(O)CH3
 1037229.2365  0.0187 -3.7193 3  884.6893872  5951614045447 7 1    5346 7 1      C-13-H3C(O)CH3
 1037250.9943  0.0349 -4.2222 3  659.8659808  595161404502822 1    492723 1      C-13-H3C(O)CH3
 1037263.1697  0.0266 -4.0204 3  884.7051436  5951614045447 7 3    5346 7 3      C-13-H3C(O)CH3
 1037275.0731  0.0175 -3.7193 3  884.6581872  5951614045447 8 0    5346 7 0      C-13-H3C(O)CH3
 1037275.0731  0.0175 -3.7193 3  884.6581872  5951614045447 7 0    5346 8 0      C-13-H3C(O)CH3
 1037307.8812  0.0267 -4.0203 3  884.6918436  5951614045447 8 3    5346 8 3      C-13-H3C(O)CH3
 1037309.2660  0.0226 -3.7193 3  884.6739872  5951614045447 7 2    5346 7 2      C-13-H3C(O)CH3
 1037316.1571  0.0370 -4.2224 3  659.8760808  595161404502822 0    492723 0      C-13-H3C(O)CH3
 1037362.3092  0.0212 -3.7192 3  884.6772872  5951614045447 8 1    5346 8 1      C-13-H3C(O)CH3
 1037396.0220  0.0324 -4.0203 3  884.6930436  5951614045447 8 4    5346 8 4      C-13-H3C(O)CH3
 1037712.5450  0.1900 -4.7696 3 1010.3820492  595161404613824 4    603723 4      C-13-H3C(O)CH3
 1037750.9379  0.1698 -5.5956 3 1691.8837692  595161404862561 4    852660 4      C-13-H3C(O)CH3
 1037750.9379  0.1698 -5.5956 3 1691.8837692  595161404862661 4    852560 4      C-13-H3C(O)CH3
 1037750.9574  0.1698 -5.8275 3 1691.8837692  595161404862561 3    852560 3      C-13-H3C(O)CH3
 1037750.9574  0.1698 -5.8275 3 1691.8837692  595161404862661 3    852660 3      C-13-H3C(O)CH3
 1037765.6276  0.2142 -5.3132 3 1691.8629D84  595161404862661 1    852660 1      C-13-H3C(O)CH3
 1037765.6276  0.2142 -5.3132 3 1691.8629D84  595161404862561 1    852560 1      C-13-H3C(O)CH3
 1037771.2850  0.2137 -5.3056 3 1691.8661D84  595161404862661 2    852660 2      C-13-H3C(O)CH3
 1037771.2850  0.2137 -5.3056 3 1691.8661D84  595161404862561 2    852560 2      C-13-H3C(O)CH3
 1037785.9488  0.2079 -5.3170 3 1691.8454D84  595161404862661 0    852560 0      C-13-H3C(O)CH3
 1037785.9488  0.2079 -5.3170 3 1691.8454D84  595161404862561 0    852660 0      C-13-H3C(O)CH3
 1037820.5122  0.2456 -4.7659 3 1010.3805492  595161404613824 3    603723 3      C-13-H3C(O)CH3
 1037852.6328  0.0084 -4.2396 3  443.7587712  595161404441629 0    431330 0      C-13-H3C(O)CH3
 1037852.6328  0.0084 -4.2433 3  443.7587712  595161404441529 0    431430 0      C-13-H3C(O)CH3
 1037881.1455  0.0108 -4.2412 3  443.7291712  595161404441529 2    431430 2      C-13-H3C(O)CH3
 1037881.1455  0.0108 -4.2412 3  443.7291712  595161404441629 2    431330 2      C-13-H3C(O)CH3
 1037884.9513  0.0107 -4.4446 3  443.7301712  595161404441629 1    431430 1      C-13-H3C(O)CH3
 1037884.9513  0.0107 -4.6701 3  443.7301712  595161404441529 1    431430 1      C-13-H3C(O)CH3
 1037884.9513  0.0107 -4.6632 3  443.7301712  595161404441629 1    431330 1      C-13-H3C(O)CH3
 1037884.9513  0.0107 -4.4405 3  443.7301712  595161404441529 1    431330 1      C-13-H3C(O)CH3
 1037913.3236  0.0119 -4.5413 3  443.7004356  595161404441629 4    431430 4      C-13-H3C(O)CH3
 1037913.3236  0.0119 -4.5413 3  443.7004356  595161404441529 4    431330 4      C-13-H3C(O)CH3
 1037913.5383  0.0119 -4.6248 3  443.7005356  595161404441629 3    431330 3      C-13-H3C(O)CH3
 1037913.5383  0.0119 -4.6285 3  443.7005356  595161404441529 3    431430 3      C-13-H3C(O)CH3
 1037913.5383  0.0119 -5.2749 3  443.7005356  595161404441529 3    431330 3      C-13-H3C(O)CH3
 1037913.5383  0.0119 -5.2916 3  443.7005356  595161404441629 3    431430 3      C-13-H3C(O)CH3
 1037936.3392  0.1818 -4.6453 3  950.6878476  595161404593822 4    583721 4      C-13-H3C(O)CH3
 1037972.9527  0.0597 -4.2321 3  950.6334952  595161404593822 0    583721 0      C-13-H3C(O)CH3
 1038079.3079  0.0764 -4.2647 3  950.6592952  595161404593822 2    583721 2      C-13-H3C(O)CH3
 1038101.0808  0.2191 -5.3675 3 1795.9891F12  595161404941778 0    931677 0      C-13-H3C(O)CH3
 1038101.0808  0.2191 -5.3675 3 1795.9891F12  595161404941678 0    931777 0      C-13-H3C(O)CH3
 1038102.1630  0.0647 -4.2596 3  950.6580952  595161404593822 1    583721 1      C-13-H3C(O)CH3
 1038111.5108  0.2300 -5.4654 3 1796.0113F12  595161404941778 1    931777 1      C-13-H3C(O)CH3
 1038111.5108  0.2300 -5.4654 3 1796.0113F12  595161404941678 1    931677 1      C-13-H3C(O)CH3
 1038115.4248  0.2390 -5.7298 3 1796.0125F12  595161404941678 2    931777 2      C-13-H3C(O)CH3
 1038115.4248  0.2390 -5.6040 3 1796.0125F12  595161404941778 2    931777 2      C-13-H3C(O)CH3
 1038115.4248  0.2390 -5.7298 3 1796.0125F12  595161404941778 2    931677 2      C-13-H3C(O)CH3
 1038115.4248  0.2390 -5.6040 3 1796.0125F12  595161404941678 2    931677 2      C-13-H3C(O)CH3
 1038125.8767  0.1803 -5.6763 3 1796.0347756  595161404941678 3    931777 3      C-13-H3C(O)CH3
 1038125.8767  0.1803 -5.6763 3 1796.0347756  595161404941778 3    931677 3      C-13-H3C(O)CH3
 1038274.1893  0.0136 -5.6771 3  328.2627584  595161404362116 2    351619 2      C-13-H3C(O)CH3
 1038275.3011  0.2091 -5.2916 3  928.0227936  595161404583920 2    573819 2      C-13-H3C(O)CH3
 1038278.9777  0.0123 -5.6775 3  328.2901584  595161404362116 0    351619 0      C-13-H3C(O)CH3
 1038349.4208  0.0131 -5.6759 3  328.2660584  595161404362116 1    351619 1      C-13-H3C(O)CH3
 1038418.0054  0.1598 -5.1360 3  928.0157936  595161404583920 1    573819 1      C-13-H3C(O)CH3
 1038498.0805  0.0535 -4.5310 3  950.6799476  595161404593822 3    583721 3      C-13-H3C(O)CH3
 1038721.5952  0.0230 -4.0836 3  892.5517444  595161404554511 4    544411 4      C-13-H3C(O)CH3
 1038731.2355  0.0100 -4.1645 3  520.7211744  595161404462026 0    451927 0      C-13-H3C(O)CH3
 1038731.2483  0.0100 -4.1645 3  520.7211744  595161404462126 0    451827 0      C-13-H3C(O)CH3
 1038754.2586  0.1738 -5.6085 3 1709.4783700  595161404872463 4    862562 4      C-13-H3C(O)CH3
 1038754.2586  0.1738 -5.6085 3 1709.4783700  595161404872563 4    862462 4      C-13-H3C(O)CH3
 1038754.2743  0.1738 -5.6435 3 1709.4783700  595161404872563 3    862462 3      C-13-H3C(O)CH3
 1038754.2743  0.1738 -5.6435 3 1709.4783700  595161404872463 3    862562 3      C-13-H3C(O)CH3
 1038766.9243  0.2229 -5.5882 3 1709.4568E00  595161404872463 1    862562 1      C-13-H3C(O)CH3
 1038766.9243  0.2229 -5.5936 3 1709.4568E00  595161404872463 1    862462 1      C-13-H3C(O)CH3
 1038766.9243  0.2229 -5.6292 3 1709.4568E00  595161404872563 1    862562 1      C-13-H3C(O)CH3
 1038766.9243  0.2229 -5.5557 3 1709.4568E00  595161404872563 1    862462 1      C-13-H3C(O)CH3
 1038772.7914  0.2229 -5.3034 3 1709.4600E00  595161404872463 2    862562 2      C-13-H3C(O)CH3
 1038772.7914  0.2229 -5.3034 3 1709.4600E00  595161404872563 2    862462 2      C-13-H3C(O)CH3
 1038783.7870  0.0201 -3.7825 3  892.5269888  595161404554511 2    544411 2      C-13-H3C(O)CH3
 1038785.4375  0.2146 -5.2938 3 1709.4385E00  595161404872563 0    862462 0      C-13-H3C(O)CH3
 1038785.4375  0.2146 -5.2938 3 1709.4385E00  595161404872463 0    862562 0      C-13-H3C(O)CH3
 1038805.5118  0.0252 -4.0857 3  927.9714936  595161404583920 0    573819 0      C-13-H3C(O)CH3
 1038818.6388  0.0160 -3.7824 3  892.5326888  595161404554511 1    544410 1      C-13-H3C(O)CH3
 1038834.5022  0.0132 -4.1643 3  520.6961744  595161404462026 2    451927 2      C-13-H3C(O)CH3
 1038834.5167  0.0132 -4.1643 3  520.6961744  595161404462126 2    451827 2      C-13-H3C(O)CH3
 1038838.3657  0.0109 -4.1642 3  520.6975744  595161404462026 1    451927 1      C-13-H3C(O)CH3
 1038838.3798  0.0109 -4.1642 3  520.6975744  595161404462126 1    451827 1      C-13-H3C(O)CH3
 1038841.5401  0.0227 -4.0836 3  892.5638444  595161404554510 3    544410 3      C-13-H3C(O)CH3
 1038849.6089  0.0243 -4.0836 3  892.5488444  595161404554511 3    544411 3      C-13-H3C(O)CH3
 1038880.7301  0.0145 -3.7823 3  892.5076888 -595161404554510 0    544411 0      C-13-H3C(O)CH3
 1038880.7301  0.0145 -3.7823 3  892.5076888 -595161404554511 0    544410 0      C-13-H3C(O)CH3
 1038904.0615  0.0179 -3.7825 3  892.5388888  595161404554510 2    544410 2      C-13-H3C(O)CH3
 1038941.8202  0.0146 -4.4649 3  520.6724372  595161404462026 3    451927 3      C-13-H3C(O)CH3
 1038941.8363  0.0146 -4.4649 3  520.6724372  595161404462126 3    451827 3      C-13-H3C(O)CH3
 1038941.9227  0.0147 -4.4649 3  520.6724372  595161404462026 4    451927 4      C-13-H3C(O)CH3
 1038941.9386  0.0147 -4.4649 3  520.6724372  595161404462126 4    451827 4      C-13-H3C(O)CH3
 1038946.9588  0.0158 -3.7824 3  892.5296888  595161404554510 1    544411 1      C-13-H3C(O)CH3
 1038961.9486  0.1552 -4.5717 3  928.0478468  595161404583920 3    573819 3      C-13-H3C(O)CH3
 1038969.8097  0.0244 -5.7540 3  519.7561356  595161404442916 4    432618 4      C-13-H3C(O)CH3
 1038970.1180  0.0247 -4.0836 3  892.5608444  595161404554510 4    544410 4      C-13-H3C(O)CH3
 1038980.1579  0.0223 -5.7355 3  519.7726712  595161404442916 2    432618 2      C-13-H3C(O)CH3
 1039000.6134  0.0250 -4.1136 3  928.0227936  595161404583919 2    573819 2      C-13-H3C(O)CH3
 1039016.8147  0.0257 -4.1263 3  928.0157936  595161404583919 1    573819 1      C-13-H3C(O)CH3
 1039017.8282  0.0305 -4.3952 3  928.0708468  595161404583919 4    573819 4      C-13-H3C(O)CH3
 1039149.5519  0.0446 -4.8451 3  928.0478468  595161404583919 3    573819 3      C-13-H3C(O)CH3
 1039227.6980  0.0605 -3.6215 3  884.1645840  5951614045252 0 1    5151 0 1      C-13-H3C(O)CH3
 1039239.9453  0.0247 -4.1255 3  927.9883936  595161404583920 1    573820 1      C-13-H3C(O)CH3
 1039241.6734  0.0707 -3.9226 3  884.2317420  5951614045252 0 4    5151 0 4      C-13-H3C(O)CH3
 1039245.9883  0.0247 -4.1127 3  927.9903936  595161404583920 2    573820 2      C-13-H3C(O)CH3
 1039250.6543  0.0252 -4.0854 3  927.9612936  595161404583919 0    573820 0      C-13-H3C(O)CH3
 1039262.8579  0.2134 -5.3923 3 1808.6839F28  595161404951680 0    941579 0      C-13-H3C(O)CH3
 1039262.8579  0.2134 -5.3923 3 1808.6839F28  595161404951580 0    941679 0      C-13-H3C(O)CH3
 1039277.9342  0.2211 -5.6798 3 1808.7053F28  595161404951580 1    941579 1      C-13-H3C(O)CH3
 1039277.9342  0.2211 -5.6706 3 1808.7053F28  595161404951680 1    941579 1      C-13-H3C(O)CH3
 1039277.9342  0.2211 -5.6706 3 1808.7053F28  595161404951580 1    941679 1      C-13-H3C(O)CH3
 1039277.9342  0.2211 -5.6798 3 1808.7053F28  595161404951680 1    941679 1      C-13-H3C(O)CH3
 1039281.2373  0.2307 -5.4240 3 1808.7063F28  595161404951580 2    941679 2      C-13-H3C(O)CH3
 1039281.2373  0.2307 -5.4240 3 1808.7063F28  595161404951680 2    941579 2      C-13-H3C(O)CH3
 1039296.3389  0.1798 -5.8622 3 1808.7278764  595161404951680 3    941579 3      C-13-H3C(O)CH3
 1039296.3389  0.1798 -5.8622 3 1808.7278764  595161404951580 3    941679 3      C-13-H3C(O)CH3
 1039297.1803  0.0420 -4.8449 3  928.0366468  595161404583920 3    573820 3      C-13-H3C(O)CH3
 1039349.1037  0.0593 -3.6213 3  884.0964840  5951614045252 0 0    5151 0 0      C-13-H3C(O)CH3
 1039349.1037  0.0593 -3.6213 3  884.0964840  5951614045252 1 0    5151 1 0      C-13-H3C(O)CH3
 1039363.1715  0.0595 -3.6214 3  884.1635840  5951614045252 0 2    5151 0 2      C-13-H3C(O)CH3
 1039371.9967  0.0719 -4.5897 3  620.6962776  595161404483118 0    472819 0      C-13-H3C(O)CH3
 1039424.5606  0.0751 -3.9224 3  884.1866420  5951614045252 1 3    5151 1 3      C-13-H3C(O)CH3
 1039429.1062  0.0338 -4.3937 3  928.0137468  595161404583920 4    573820 4      C-13-H3C(O)CH3
 1039484.7836  0.1598 -4.5713 3  928.0366468  595161404583919 3    573820 3      C-13-H3C(O)CH3
 1039487.5960  0.0702 -3.6213 3  884.1534840  5951614045252 1 1    5151 1 1      C-13-H3C(O)CH3
 1039502.2606  0.0708 -3.9224 3  884.2205420  5951614045252 0 3    5151 0 3      C-13-H3C(O)CH3
 1039545.3930  0.0781 -3.6211 3  884.1186840  5951614045252 1 2    5151 1 2      C-13-H3C(O)CH3
 1039680.9227  0.0244 -5.6946 3  392.6864300  5951614043731 7 4    3628 9 4      C-13-H3C(O)CH3
 1039684.5126  0.0971 -3.9222 3  884.1755420  5951614045252 1 4    5151 1 4      C-13-H3C(O)CH3
 1039761.4927  0.0244 -5.6920 3  392.6984300  5951614043731 7 3    3628 9 3      C-13-H3C(O)CH3
 1039784.1005  0.1775 -5.6493 3 1726.5233708  595161404882365 4    872464 4      C-13-H3C(O)CH3
 1039784.1005  0.1775 -5.6493 3 1726.5233708  595161404882465 4    872364 4      C-13-H3C(O)CH3
 1039784.1122  0.1775 -5.7351 3 1726.5233708  595161404882365 3    872464 3      C-13-H3C(O)CH3
 1039784.1122  0.1775 -5.7351 3 1726.5233708  595161404882465 3    872364 3      C-13-H3C(O)CH3
 1039794.4955  0.2312 -5.3130 3 1726.5011E16  595161404882465 1    872464 1      C-13-H3C(O)CH3
 1039794.4955  0.2312 -5.3130 3 1726.5011E16  595161404882365 1    872364 1      C-13-H3C(O)CH3
 1039800.4947  0.2320 -5.9030 3 1726.5043E16  595161404882465 2    872464 2      C-13-H3C(O)CH3
 1039800.4947  0.2320 -5.4358 3 1726.5043E16  595161404882465 2    872364 2      C-13-H3C(O)CH3
 1039800.4947  0.2320 -5.4358 3 1726.5043E16  595161404882365 2    872464 2      C-13-H3C(O)CH3
 1039800.4947  0.2320 -5.9030 3 1726.5043E16  595161404882365 2    872364 2      C-13-H3C(O)CH3
 1039810.8766  0.2208 -5.3086 3 1726.4821E16  595161404882465 0    872464 0      C-13-H3C(O)CH3
 1039810.8766  0.2208 -5.3136 3 1726.4821E16  595161404882365 0    872364 0      C-13-H3C(O)CH3
 1039838.7546  0.1690 -5.1351 3  927.9883936  595161404583919 1    573820 1      C-13-H3C(O)CH3
 1039854.9973  0.0237 -4.1598 3  902.2348452  595161404564314 4    554214 4      C-13-H3C(O)CH3
 1039872.2887  0.0210 -5.3947 3  392.7097600  5951614043731 7 1    3628 9 1      C-13-H3C(O)CH3
 1039930.9243  0.0200 -3.8586 3  902.2058904  595161404564314 2    554214 2      C-13-H3C(O)CH3
 1039939.3945  0.0201 -5.3967 3  392.7260600  5951614043731 7 2    3628 9 2      C-13-H3C(O)CH3
 1039970.0075  0.0152 -3.8584 3  902.2009904  595161404564314 1    554214 1      C-13-H3C(O)CH3
 1039971.3005  0.2209 -5.2905 3  927.9903936  595161404583919 2    573820 2      C-13-H3C(O)CH3
 1040004.6600  0.0243 -4.1597 3  902.2355452  595161404564314 3    554214 3      C-13-H3C(O)CH3
 1040018.7763  0.0215 -5.3941 3  392.7380600  5951614043731 6 2    3628 8 2      C-13-H3C(O)CH3
 1040022.4848  0.0217 -4.1596 3  902.2438452  595161404564313 3    554213 3      C-13-H3C(O)CH3
 1040045.8428  0.0119 -3.8582 3  902.1718904 -595161404564313 0    554214 0      C-13-H3C(O)CH3
 1040045.8428  0.0119 -3.8582 3  902.1718904 -595161404564314 0    554213 0      C-13-H3C(O)CH3
 1040095.5436  0.0590 -4.5983 3  620.6730776  595161404483118 1    472819 1      C-13-H3C(O)CH3
 1040098.4486  0.0173 -3.8584 3  902.2147904  595161404564313 2    554213 2      C-13-H3C(O)CH3
 1040119.6375  0.0149 -3.8583 3  902.2015904  595161404564313 1    554213 1      C-13-H3C(O)CH3
 1040134.1666  0.0208 -5.3977 3  392.7491600  5951614043731 7 0    3628 8 0      C-13-H3C(O)CH3
 1040134.3158  0.0208 -5.3977 3  392.7491600  5951614043731 6 0    3628 9 0      C-13-H3C(O)CH3
 1040153.2768  0.0248 -5.6948 3  392.6991300  5951614043731 6 3    3628 8 3      C-13-H3C(O)CH3
 1040172.5045  0.0235 -4.1595 3  902.2443452  595161404564313 4    554213 4      C-13-H3C(O)CH3
 1040190.3627  0.1276 -5.4266 3 1518.9022620  595161404773542 4    763641 4      C-13-H3C(O)CH3
 1040190.3629  0.1276 -5.4266 3 1518.9022620  595161404773642 4    763541 4      C-13-H3C(O)CH3
 1040190.4163  0.1276 -5.4266 3 1518.9022620  595161404773542 3    763641 3      C-13-H3C(O)CH3
 1040190.4165  0.1276 -5.4266 3 1518.9022620  595161404773642 3    763541 3      C-13-H3C(O)CH3
 1040213.9037  0.1395 -5.1255 3 1518.8871C40  595161404773542 1    763641 1      C-13-H3C(O)CH3
 1040213.9039  0.1395 -5.1255 3 1518.8871C40  595161404773642 1    763541 1      C-13-H3C(O)CH3
 1040214.6158  0.1398 -5.1257 3 1518.8902C40  595161404773542 2    763641 2      C-13-H3C(O)CH3
 1040214.6160  0.1398 -5.1257 3 1518.8902C40  595161404773642 2    763541 2      C-13-H3C(O)CH3
 1040230.6733  0.0283 -5.6922 3  392.7111300  5951614043731 6 4    3628 8 4      C-13-H3C(O)CH3
 1040238.0737  0.1439 -5.1256 3 1518.8751C40  595161404773542 0    763641 0      C-13-H3C(O)CH3
 1040238.0738  0.1439 -5.1256 3 1518.8751C40  595161404773642 0    763541 0      C-13-H3C(O)CH3
 1040253.1310  0.0234 -4.2555 3  913.9565460  595161404574116 4    564016 4      C-13-H3C(O)CH3
 1040271.7142  0.2334 -4.6579 3  877.6505460  595161404573522 3    563423 3      C-13-H3C(O)CH3
 1040303.0864  0.1218 -5.4102 3 1494.7851612  595161404763640 4    753739 4      C-13-H3C(O)CH3
 1040303.0957  0.1218 -5.4102 3 1494.7851612  595161404763740 4    753639 4      C-13-H3C(O)CH3
 1040303.1414  0.1218 -5.4102 3 1494.7851612  595161404763640 3    753739 3      C-13-H3C(O)CH3
 1040303.1506  0.1218 -5.4102 3 1494.7851612  595161404763740 3    753639 3      C-13-H3C(O)CH3
 1040314.4433  0.0199 -5.0123 3  442.5782648  595161404403011 0    392712 0      C-13-H3C(O)CH3
 1040314.8253  0.0191 -3.9542 3  913.9163920  595161404574116 2    564016 2      C-13-H3C(O)CH3
 1040324.8598  0.1325 -5.1092 3 1494.7735C24  595161404763640 2    753739 2      C-13-H3C(O)CH3
 1040324.8670  0.1325 -5.1092 3 1494.7735C24  595161404763740 2    753639 2      C-13-H3C(O)CH3
 1040325.0994  0.1320 -5.1091 3 1494.7703C24  595161404763640 1    753739 1      C-13-H3C(O)CH3
 1040325.1089  0.1320 -5.1091 3 1494.7703C24  595161404763740 1    753639 1      C-13-H3C(O)CH3
 1040343.4721  0.0221 -5.3948 3  392.7223600  5951614043731 6 1    3628 8 1      C-13-H3C(O)CH3
 1040343.7710  0.2157 -4.6592 3  877.6497460  595161404573522 4    563423 4      C-13-H3C(O)CH3
 1040345.1545  0.0181 -3.9541 3  913.9065920  595161404574116 1    564016 1      C-13-H3C(O)CH3
 1040346.7889  0.1365 -5.1091 3 1494.7587C24  595161404763640 0    753739 0      C-13-H3C(O)CH3
 1040346.7963  0.1365 -5.1091 3 1494.7587C24  595161404763740 0    753639 0      C-13-H3C(O)CH3
 1040362.0743  0.1334 -5.4449 3 1542.3566628  595161404783544 4    773443 4      C-13-H3C(O)CH3
 1040362.0743  0.1334 -5.4449 3 1542.3566628  595161404783444 4    773543 4      C-13-H3C(O)CH3
 1040362.1258  0.1334 -5.4449 3 1542.3566628  595161404783444 3    773543 3      C-13-H3C(O)CH3
 1040362.1258  0.1334 -5.4449 3 1542.3566628  595161404783544 3    773443 3      C-13-H3C(O)CH3
 1040376.7067  0.0220 -5.0294 3  442.5469648  595161404403011 1    392713 1      C-13-H3C(O)CH3
 1040386.3956  0.1471 -5.1438 3 1542.3412C56  595161404783544 1    773443 1      C-13-H3C(O)CH3
 1040386.3956  0.1471 -5.1438 3 1542.3412C56  595161404783444 1    773543 1      C-13-H3C(O)CH3
 1040387.8877  0.1473 -5.1443 3 1542.3443C56  595161404783444 2    773543 2      C-13-H3C(O)CH3
 1040387.8877  0.1473 -5.1442 3 1542.3443C56  595161404783544 2    773443 2      C-13-H3C(O)CH3
 1040396.3068  0.0232 -5.3345 3  442.5566324  595161404403010 3    392712 3      C-13-H3C(O)CH3
 1040406.6364  0.0141 -3.9537 3  913.8663920 -595161404574117 0    564016 0      C-13-H3C(O)CH3
 1040407.6181  0.0141 -3.9537 3  913.8663920  595161404574116 0    564017 0      C-13-H3C(O)CH3
 1040412.1289  0.1514 -5.1439 3 1542.3289C56  595161404783544 0    773443 0      C-13-H3C(O)CH3
 1040412.1289  0.1514 -5.1439 3 1542.3289C56  595161404783444 0    773543 0      C-13-H3C(O)CH3
 1040431.9558  0.0251 -4.2551 3  913.9496460  595161404574117 3    564016 3      C-13-H3C(O)CH3
 1040438.9124  0.2058 -5.4054 3 1820.8475F44  595161404961482 0    951581 0      C-13-H3C(O)CH3
 1040438.9124  0.2058 -5.4054 3 1820.8475F44  595161404961582 0    951481 0      C-13-H3C(O)CH3
 1040458.6581  0.2096 -5.5034 3 1820.8678F44  595161404961482 1    951581 1      C-13-H3C(O)CH3
 1040458.6581  0.2096 -5.5034 3 1820.8678F44  595161404961582 1    951481 1      C-13-H3C(O)CH3
 1040460.3565  0.0249 -4.2550 3  913.9490460  595161404574116 3    564017 3      C-13-H3C(O)CH3
 1040461.3123  0.2190 -5.3869 3 1820.8684F44  595161404961582 2    951581 2      C-13-H3C(O)CH3
 1040461.3123  0.2190 -5.3869 3 1820.8684F44  595161404961482 2    951481 2      C-13-H3C(O)CH3
 1040478.8875  0.0199 -5.0164 3  442.5832648  595161404403010 2    392712 2      C-13-H3C(O)CH3
 1040481.0862  0.1786 -5.8448 3 1820.8886772  595161404961482 3    951581 3      C-13-H3C(O)CH3
 1040481.0862  0.1786 -5.8448 3 1820.8886772  595161404961582 3    951481 3      C-13-H3C(O)CH3
 1040481.1092  0.1786 -5.7532 3 1820.8886772  595161404961582 4    951481 4      C-13-H3C(O)CH3
 1040481.1092  0.1786 -5.7532 3 1820.8886772  595161404961482 4    951581 4      C-13-H3C(O)CH3
 1040502.3324  0.0199 -5.0291 3  442.5654648  595161404403010 1    392712 1      C-13-H3C(O)CH3
 1040522.0764  0.0197 -3.9537 3  913.9088920  595161404574117 2    564017 2      C-13-H3C(O)CH3
 1040523.9328  0.0177 -3.9537 3  913.8996920  595161404574117 1    564017 1      C-13-H3C(O)CH3
 1040533.0001  0.1015 -4.6064 3  620.6604776  595161404483118 2    472819 2      C-13-H3C(O)CH3
 1040536.1522  0.0198 -5.0122 3  442.5709648  595161404403010 0    392713 0      C-13-H3C(O)CH3
 1040577.3752  0.0264 -5.8599 3  364.5458568  5951614043532 4 2    3429 6 2      C-13-H3C(O)CH3
 1040589.1383  0.0220 -5.3123 3  442.5729324  595161404403010 4    392712 4      C-13-H3C(O)CH3
 1040636.5946  0.0261 -5.3146 3  442.5238324  595161404403011 4    392713 4      C-13-H3C(O)CH3
 1040639.2659  0.0295 -4.2546 3  913.9422460  595161404574117 4    564017 4      C-13-H3C(O)CH3
 1040643.8765  0.0120 -4.7739 3  400.4742348  595161404431331 4    421032 4      C-13-H3C(O)CH3
 1040643.8765  0.0120 -5.2117 3  400.4742348  595161404431231 4    421032 4      C-13-H3C(O)CH3
 1040643.8765  0.0120 -4.7739 3  400.4742348  595161404431231 4    421132 4      C-13-H3C(O)CH3
 1040643.8765  0.0120 -5.2117 3  400.4742348  595161404431331 4    421132 4      C-13-H3C(O)CH3
 1040644.3403  0.0118 -4.6956 3  400.4742348  595161404431231 3    421032 3      C-13-H3C(O)CH3
 1040644.3403  0.0118 -4.6956 3  400.4742348  595161404431331 3    421132 3      C-13-H3C(O)CH3
 1040644.3403  0.0118 -5.5507 3  400.4742348  595161404431231 3    421132 3      C-13-H3C(O)CH3
 1040644.3403  0.0118 -5.5507 3  400.4742348  595161404431331 3    421032 3      C-13-H3C(O)CH3
 1040693.3752  0.0189 -4.7312 3  519.7927712  595161404442915 0    432618 0      C-13-H3C(O)CH3
 1040714.4813  0.0216 -5.0184 3  442.5506648  595161404403011 2    392713 2      C-13-H3C(O)CH3
 1040716.4252  0.0117 -4.8171 3  400.5003696  595161404431231 2    421132 2      C-13-H3C(O)CH3
 1040716.4252  0.0117 -5.1139 3  400.5003696  595161404431331 2    421032 2      C-13-H3C(O)CH3
 1040716.4252  0.0117 -4.5129 3  400.5003696  595161404431331 2    421132 2      C-13-H3C(O)CH3
 1040716.4252  0.0117 -4.4175 3  400.5003696  595161404431231 2    421032 2      C-13-H3C(O)CH3
 1040720.3429  0.0118 -4.5113 3  400.5012696  595161404431331 1    421132 1      C-13-H3C(O)CH3
 1040720.3429  0.0118 -4.8204 3  400.5012696  595161404431231 1    421132 1      C-13-H3C(O)CH3
 1040720.3429  0.0118 -4.8204 3  400.5012696  595161404431331 1    421032 1      C-13-H3C(O)CH3
 1040720.3429  0.0118 -4.5113 3  400.5012696  595161404431231 1    421032 1      C-13-H3C(O)CH3
 1040737.4663  0.1391 -5.5286 3 1565.1752636  595161404793346 4    783345 4      C-13-H3C(O)CH3
 1040737.4663  0.1391 -5.5286 3 1565.1752636  595161404793446 4    783445 4      C-13-H3C(O)CH3
 1040737.5151  0.1391 -5.4758 3 1565.1752636  595161404793346 3    783345 3      C-13-H3C(O)CH3
 1040737.5151  0.1391 -5.4757 3 1565.1752636  595161404793446 3    783445 3      C-13-H3C(O)CH3
 1040742.7781  0.2325 -4.3603 3  877.6427920  595161404573522 2    563423 2      C-13-H3C(O)CH3
 1040762.0522  0.1550 -5.3924 3 1565.1595C72  595161404793446 1    783445 1      C-13-H3C(O)CH3
 1040762.0522  0.1550 -5.5507 3 1565.1595C72  595161404793446 1    783345 1      C-13-H3C(O)CH3
 1040762.0522  0.1550 -5.3924 3 1565.1595C72  595161404793346 1    783345 1      C-13-H3C(O)CH3
 1040762.0522  0.1550 -5.5507 3 1565.1595C72  595161404793346 1    783445 1      C-13-H3C(O)CH3
 1040764.2207  0.1549 -5.5932 3 1565.1626C72  595161404793446 2    783445 2      C-13-H3C(O)CH3
 1040764.2207  0.1549 -5.3652 3 1565.1626C72  595161404793446 2    783345 2      C-13-H3C(O)CH3
 1040764.2207  0.1549 -5.5932 3 1565.1626C72  595161404793346 2    783345 2      C-13-H3C(O)CH3
 1040764.2207  0.1549 -5.3652 3 1565.1626C72  595161404793346 2    783445 2      C-13-H3C(O)CH3
 1040764.4633  0.0282 -5.8583 3  364.5270568  5951614043532 4 1    3429 6 1      C-13-H3C(O)CH3
 1040769.8862  0.1571 -4.3604 3  877.6430920  595161404573522 1    563423 1      C-13-H3C(O)CH3
 1040788.7308  0.1590 -5.4240 3 1565.1469C72  595161404793346 0    783345 0      C-13-H3C(O)CH3
 1040788.7308  0.1590 -5.5089 3 1565.1469C72  595161404793346 0    783445 0      C-13-H3C(O)CH3
 1040788.7308  0.1590 -5.4240 3 1565.1469C72  595161404793446 0    783445 0      C-13-H3C(O)CH3
 1040788.7308  0.1590 -5.5089 3 1565.1469C72  595161404793446 0    783345 0      C-13-H3C(O)CH3
 1040792.3398  0.0096 -5.5977 3  400.5273696  595161404431231 0    421032 0      C-13-H3C(O)CH3
 1040792.3398  0.0096 -4.3832 3  400.5273696  595161404431331 0    421032 0      C-13-H3C(O)CH3
 1040792.3398  0.0096 -4.3625 3  400.5273696  595161404431231 0    421132 0      C-13-H3C(O)CH3
 1040792.3398  0.0096 -5.3425 3  400.5273696  595161404431331 0    421132 0      C-13-H3C(O)CH3
 1040830.6450  0.0235 -5.3362 3  442.5401324  595161404403011 3    392713 3      C-13-H3C(O)CH3
 1040830.8300  0.1157 -5.3967 3 1469.9676604  595161404753738 4    743837 4      C-13-H3C(O)CH3
 1040830.8841  0.1157 -5.3967 3 1469.9676604  595161404753738 3    743837 3      C-13-H3C(O)CH3
 1040831.1927  0.1157 -5.3967 3 1469.9676604  595161404753838 4    743737 4      C-13-H3C(O)CH3
 1040831.2477  0.1157 -5.3967 3 1469.9676604  595161404753838 3    743737 3      C-13-H3C(O)CH3
 1040837.4617  0.1810 -5.6279 3 1743.0218716  595161404892267 4    882366 4      C-13-H3C(O)CH3
 1040837.4617  0.1810 -5.6279 3 1743.0218716  595161404892367 4    882266 4      C-13-H3C(O)CH3
 1040837.4695  0.1810 -5.7251 3 1743.0218716  595161404892267 3    882266 3      C-13-H3C(O)CH3
 1040837.4695  0.1810 -5.6449 3 1743.0218716  595161404892367 3    882266 3      C-13-H3C(O)CH3
 1040845.3282  0.2389 -5.3660 3 1742.9989E32  595161404892367 1    882366 1      C-13-H3C(O)CH3
 1040845.3282  0.2389 -5.3660 3 1742.9989E32  595161404892267 1    882266 1      C-13-H3C(O)CH3
 1040848.6422  0.1251 -5.0957 3 1469.9565C08  595161404753738 2    743837 2      C-13-H3C(O)CH3
 1040848.9495  0.1251 -5.0957 3 1469.9565C08  595161404753838 2    743737 2      C-13-H3C(O)CH3
 1040850.1305  0.1248 -5.0957 3 1469.9532C08  595161404753738 1    743837 1      C-13-H3C(O)CH3
 1040850.4917  0.1248 -5.0957 3 1469.9532C08  595161404753838 1    743737 1      C-13-H3C(O)CH3
 1040851.3723  0.2406 -5.4185 3 1743.0019E32  595161404892267 2    882266 2      C-13-H3C(O)CH3
 1040851.3723  0.2406 -5.4185 3 1743.0019E32  595161404892367 2    882366 2      C-13-H3C(O)CH3
 1040859.2323  0.2265 -5.4238 3 1742.9791E32  595161404892367 0    882266 0      C-13-H3C(O)CH3
 1040859.2323  0.2265 -5.4238 3 1742.9791E32  595161404892267 0    882366 0      C-13-H3C(O)CH3
 1040867.8633  0.1292 -5.0956 3 1469.9421C08  595161404753738 0    743837 0      C-13-H3C(O)CH3
 1040868.1686  0.1292 -5.0956 3 1469.9421C08  595161404753838 0    743737 0      C-13-H3C(O)CH3
 1040999.9153  0.0263 -5.8575 3  364.5511568  5951614043532 3 2    3429 5 2      C-13-H3C(O)CH3
 1041031.2219  0.0266 -5.8625 3  364.5818568  5951614043532 4 0    3429 5 0      C-13-H3C(O)CH3
 1041031.2220  0.0266 -5.8625 3  364.5818568  5951614043532 3 0    3429 6 0      C-13-H3C(O)CH3
 1041060.6284  0.0284 -4.7882 3  524.6136712  595161404443015 0    432716 0      C-13-H3C(O)CH3
 1041064.8861  0.0847 -4.9305 3  620.6375388  595161404483118 4    472819 4      C-13-H3C(O)CH3
 1041094.1066  0.0300 -4.9896 3  524.5979712  595161404443015 1    432716 1      C-13-H3C(O)CH3
 1041094.4746  0.0232 -4.7521 3  519.7765712  595161404442915 1    432618 1      C-13-H3C(O)CH3
 1041112.7411  0.2578 -4.6786 3  844.8794452  595161404563422 3    553323 3      C-13-H3C(O)CH3
 1041159.3254  0.2472 -4.6791 3  844.8789452  595161404563422 4    553323 4      C-13-H3C(O)CH3
 1041213.4587  0.1626 -4.3633 3  877.6357920  595161404573522 0    563423 0      C-13-H3C(O)CH3
 1041263.7243  0.1447 -5.6520 3 1587.3779644  595161404803248 4    793347 4      C-13-H3C(O)CH3
 1041263.7243  0.1447 -5.6520 3 1587.3779644  595161404803348 4    793247 4      C-13-H3C(O)CH3
 1041263.7702  0.1447 -5.5404 3 1587.3778644  595161404803248 3    793347 3      C-13-H3C(O)CH3
 1041263.7702  0.1447 -5.5404 3 1587.3778644  595161404803348 3    793247 3      C-13-H3C(O)CH3
 1041276.9326  0.0497 -5.4274 3  950.6580952  595161404593821 1    583721 1      C-13-H3C(O)CH3
 1041279.7614  0.0612 -5.3562 3  950.6592952  595161404593821 2    583721 2      C-13-H3C(O)CH3
 1041282.7407  0.0463 -5.3857 3  524.5769356  595161404443015 4    432716 4      C-13-H3C(O)CH3
 1041288.1910  0.1631 -5.1855 3 1587.3618C88  595161404803248 1    793247 1      C-13-H3C(O)CH3
 1041288.1910  0.1631 -5.1855 3 1587.3618C88  595161404803348 1    793347 1      C-13-H3C(O)CH3
 1041290.9678  0.1628 -5.2480 3 1587.3649C88  595161404803348 2    793247 2      C-13-H3C(O)CH3
 1041290.9678  0.1628 -5.2480 3 1587.3649C88  595161404803248 2    793347 2      C-13-H3C(O)CH3
 1041312.4071  0.0343 -3.6651 3  888.2611856  5951614045350 3 1    5249 3 1      C-13-H3C(O)CH3
 1041315.1279  0.0419 -3.9661 3  888.2948428  5951614045350 3 4    5249 3 4      C-13-H3C(O)CH3
 1041315.3634  0.1667 -5.1865 3 1587.3488C88  595161404803348 0    793247 0      C-13-H3C(O)CH3
 1041315.3634  0.1667 -5.1865 3 1587.3488C88  595161404803248 0    793347 0      C-13-H3C(O)CH3
 1041377.7676  0.0322 -3.6650 3  888.2095856  5951614045350 3 0    5249 3 0      C-13-H3C(O)CH3
 1041377.7676  0.0322 -3.6650 3  888.2095856  5951614045350 4 0    5249 4 0      C-13-H3C(O)CH3
 1041379.9580  0.0343 -3.6650 3  888.2432856  5951614045350 3 2    5249 3 2      C-13-H3C(O)CH3
 1041395.8374  0.0434 -5.0344 3  524.5916712  595161404443015 2    432716 2      C-13-H3C(O)CH3
 1041420.3438  0.0451 -3.9660 3  888.2688428  5951614045350 4 3    5249 4 3      C-13-H3C(O)CH3
 1041453.5105  0.0264 -5.8592 3  364.5457568  5951614043532 3 1    3429 5 1      C-13-H3C(O)CH3
 1041458.8665  0.1050 -4.8978 3  620.6370388  595161404483118 3    472819 3      C-13-H3C(O)CH3
 1041485.2359  0.0427 -3.6649 3  888.2173856  5951614045350 4 2    5249 4 2      C-13-H3C(O)CH3
 1041502.2049  0.0398 -3.6649 3  888.2430856  5951614045350 4 1    5249 4 1      C-13-H3C(O)CH3
 1041503.7764  0.1174 -4.3421 3  980.0713968  595161404603823 0    593722 0      C-13-H3C(O)CH3
 1041504.7884  0.0440 -3.9660 3  888.2766428  5951614045350 3 3    5249 3 3      C-13-H3C(O)CH3
 1041508.0699  0.0368 -4.7770 3  519.7726712  595161404442915 2    432618 2      C-13-H3C(O)CH3
 1041544.8616  0.0809 -5.1661 3  950.6878476  595161404593821 4    583721 4      C-13-H3C(O)CH3
 1041593.5379  0.0280 -5.0393 3  519.7566356  595161404442915 3    432618 3      C-13-H3C(O)CH3
 1041609.5288  0.0581 -3.9659 3  888.2506428  5951614045350 4 4    5249 4 4      C-13-H3C(O)CH3
 1041629.2800  0.1969 -5.4255 3 1832.4816F60  595161404971384 0    961483 0      C-13-H3C(O)CH3
 1041629.2800  0.1969 -5.4255 3 1832.4816F60  595161404971484 0    961383 0      C-13-H3C(O)CH3
 1041634.2484  0.0235 -5.5868 3  384.2820616  595161404382613 1    372116 1      C-13-H3C(O)CH3
 1041653.5240  0.1967 -5.4934 3 1832.4999F60  595161404971384 1    961483 1      C-13-H3C(O)CH3
 1041653.5240  0.1967 -5.4934 3 1832.4999F60  595161404971484 1    961383 1      C-13-H3C(O)CH3
 1041655.5240  0.2047 -5.5334 3 1832.5002F60  595161404971484 2    961383 2      C-13-H3C(O)CH3
 1041655.5240  0.2047 -5.6183 3 1832.5002F60  595161404971384 2    961483 2      C-13-H3C(O)CH3
 1041655.5240  0.2047 -5.7970 3 1832.5002F60  595161404971484 2    961483 2      C-13-H3C(O)CH3
 1041679.7982  0.1765 -5.7153 3 1832.5185780  595161404971484 3    961483 3      C-13-H3C(O)CH3
 1041679.7982  0.1765 -5.7153 3 1832.5185780  595161404971384 3    961383 3      C-13-H3C(O)CH3
 1041679.8246  0.1765 -5.6986 3 1832.5185780  595161404971484 4    961383 4      C-13-H3C(O)CH3
 1041679.8246  0.1765 -5.6986 3 1832.5185780  595161404971384 4    961483 4      C-13-H3C(O)CH3
 1041686.0584  0.0225 -5.5401 3  384.3028616  595161404382613 0    372116 0      C-13-H3C(O)CH3
 1041705.2310  0.2623 -4.3806 3  844.8755904  595161404563422 2    553323 2      C-13-H3C(O)CH3
 1041761.9460  0.1699 -4.3808 3  844.8761904  595161404563422 1    553323 1      C-13-H3C(O)CH3
 1041871.6819  0.1093 -4.3452 3  980.0850968  595161404603823 2    593722 2      C-13-H3C(O)CH3
 1041882.5264  0.0888 -4.3451 3  980.0849968  595161404603823 1    593722 1      C-13-H3C(O)CH3
 1041904.8255  0.1503 -5.6765 3 1608.9797652  595161404813150 4    803249 4      C-13-H3C(O)CH3
 1041904.8255  0.1503 -5.6765 3 1608.9797652  595161404813250 4    803149 4      C-13-H3C(O)CH3
 1041904.8683  0.1503 -5.6008 3 1608.9797652  595161404813150 3    803149 3      C-13-H3C(O)CH3
 1041904.8683  0.1503 -5.6008 3 1608.9797652  595161404813250 3    803249 3      C-13-H3C(O)CH3
 1041911.9936  0.1842 -5.6705 3 1758.9764724  595161404902269 4    892268 4      C-13-H3C(O)CH3
 1041911.9936  0.1842 -5.6705 3 1758.9764724  595161404902169 4    892168 4      C-13-H3C(O)CH3
 1041911.9974  0.1842 -5.7321 3 1758.9763724  595161404902169 3    892168 3      C-13-H3C(O)CH3
 1041911.9974  0.1842 -5.7321 3 1758.9763724  595161404902269 3    892268 3      C-13-H3C(O)CH3
 1041917.0636  0.2455 -5.3519 3 1758.9529E48  595161404902269 1    892168 1      C-13-H3C(O)CH3
 1041917.0636  0.2455 -5.3519 3 1758.9529E48  595161404902169 1    892268 1      C-13-H3C(O)CH3
 1041923.0561  0.2483 -5.4051 3 1758.9557E48  595161404902169 2    892168 2      C-13-H3C(O)CH3
 1041923.0561  0.2483 -5.4051 3 1758.9557E48  595161404902269 2    892268 2      C-13-H3C(O)CH3
 1041928.1263  0.2314 -5.4866 3 1758.9323E48  595161404902169 0    892268 0      C-13-H3C(O)CH3
 1041928.1263  0.2314 -5.8953 3 1758.9323E48  595161404902269 0    892268 0      C-13-H3C(O)CH3
 1041928.1263  0.2314 -5.4866 3 1758.9323E48  595161404902269 0    892168 0      C-13-H3C(O)CH3
 1041928.1263  0.2314 -5.8953 3 1758.9323E48  595161404902169 0    892168 0      C-13-H3C(O)CH3
 1041928.8667  0.1715 -5.5001 3 1608.9632D04  595161404813150 1    803249 1      C-13-H3C(O)CH3
 1041928.8667  0.1715 -5.5001 3 1608.9632D04  595161404813250 1    803149 1      C-13-H3C(O)CH3
 1041928.8667  0.1715 -5.5108 3 1608.9632D04  595161404813150 1    803149 1      C-13-H3C(O)CH3
 1041928.8667  0.1715 -5.5108 3 1608.9632D04  595161404813250 1    803249 1      C-13-H3C(O)CH3
 1041932.2027  0.1709 -5.2826 3 1608.9663D04  595161404813150 2    803149 2      C-13-H3C(O)CH3
 1041932.2027  0.1709 -5.2826 3 1608.9663D04  595161404813250 2    803249 2      C-13-H3C(O)CH3
 1041956.1782  0.1743 -5.7212 3 1608.9499D04  595161404813150 0    803249 0      C-13-H3C(O)CH3
 1041956.1782  0.1743 -5.2141 3 1608.9499D04  595161404813250 0    803149 0      C-13-H3C(O)CH3
 1041956.1782  0.1743 -5.3619 3 1608.9499D04  595161404813250 0    803249 0      C-13-H3C(O)CH3
 1041998.2794  0.1092 -5.3880 3 1444.3936596  595161404743836 4    733935 4      C-13-H3C(O)CH3
 1041998.3221  0.1093 -5.3880 3 1444.3936596  595161404743836 3    733935 3      C-13-H3C(O)CH3
 1042009.7821  0.1085 -5.3880 3 1444.3933596  595161404743936 4    733835 4      C-13-H3C(O)CH3
 1042009.8395  0.1085 -5.3880 3 1444.3933596  595161404743936 3    733835 3      C-13-H3C(O)CH3
 1042009.8791  0.1174 -5.0869 3 1444.3834B92  595161404743836 2    733935 2      C-13-H3C(O)CH3
 1042012.8455  0.1173 -5.0870 3 1444.3797B92  595161404743836 1    733935 1      C-13-H3C(O)CH3
 1042020.1676  0.1172 -5.0869 3 1444.3831B92  595161404743936 2    733835 2      C-13-H3C(O)CH3
 1042024.1640  0.1176 -5.0869 3 1444.3794B92  595161404743936 1    733835 1      C-13-H3C(O)CH3
 1042024.3811  0.1217 -5.0869 3 1444.3695B92  595161404743836 0    733935 0      C-13-H3C(O)CH3
 1042034.4876  0.1224 -5.0869 3 1444.3693B92  595161404743936 0    733835 0      C-13-H3C(O)CH3
 1042049.8667  0.0376 -5.2176 3  524.5979712  595161404443014 1    432716 1      C-13-H3C(O)CH3
 1042098.0768  0.0289 -5.6730 3  384.2691616  595161404382613 2    372116 2      C-13-H3C(O)CH3
 1042119.8497  0.0677 -4.6594 3  980.1007484  595161404603823 4    593722 4      C-13-H3C(O)CH3
 1042135.2810  0.0484 -5.1235 3  519.7561356  595161404442915 4    432618 4      C-13-H3C(O)CH3
 1042215.7971  0.0546 -5.2049 3  524.5751356  595161404443015 3    432716 3      C-13-H3C(O)CH3
 1042266.1012  0.0356 -5.9115 3  384.2482308  595161404382613 3    372116 3      C-13-H3C(O)CH3
 1042337.8020  0.1771 -4.3836 3  844.8725904  595161404563422 0    553323 0      C-13-H3C(O)CH3
 1042367.8452  0.1233 -4.6393 3  980.0972484  595161404603823 3    593722 3      C-13-H3C(O)CH3
 1042419.4043  0.0139 -4.8189 3  356.5644340  59516140442 933 4    41 734 4      C-13-H3C(O)CH3
 1042419.4043  0.0139 -4.8189 3  356.5644340  595161404421033 4    41 834 4      C-13-H3C(O)CH3
 1042420.0706  0.0132 -4.9387 3  356.5643340  595161404421033 3    41 834 3      C-13-H3C(O)CH3
 1042420.0706  0.0132 -5.3594 3  356.5643340  59516140442 933 3    41 834 3      C-13-H3C(O)CH3
 1042420.0706  0.0132 -4.9387 3  356.5643340  59516140442 933 3    41 734 3      C-13-H3C(O)CH3
 1042420.0706  0.0132 -5.3594 3  356.5643340  595161404421033 3    41 734 3      C-13-H3C(O)CH3
 1042635.3950  0.1557 -5.5445 3 1629.9926660  595161404823052 4    813051 4      C-13-H3C(O)CH3
 1042635.3950  0.1557 -5.5445 3 1629.9926660  595161404823152 4    813151 4      C-13-H3C(O)CH3
 1042635.4344  0.1557 -5.6471 3 1629.9926660  595161404823152 3    813151 3      C-13-H3C(O)CH3
 1042635.4344  0.1557 -5.6471 3 1629.9926660  595161404823052 3    813051 3      C-13-H3C(O)CH3
 1042658.7509  0.1800 -5.2432 3 1629.9756D20  595161404823052 1    813051 1      C-13-H3C(O)CH3
 1042658.7509  0.1800 -5.2432 3 1629.9756D20  595161404823152 1    813151 1      C-13-H3C(O)CH3
 1042662.6062  0.1793 -5.2253 3 1629.9788D20  595161404823052 2    813151 2      C-13-H3C(O)CH3
 1042662.6062  0.1793 -5.2253 3 1629.9788D20  595161404823152 2    813051 2      C-13-H3C(O)CH3
 1042665.4995  0.0125 -4.9979 3  356.5803680  59516140442 933 2    41 734 2      C-13-H3C(O)CH3
 1042665.4995  0.0125 -4.6627 3  356.5803680  59516140442 933 2    41 834 2      C-13-H3C(O)CH3
 1042665.4995  0.0125 -4.6627 3  356.5803680  595161404421033 2    41 734 2      C-13-H3C(O)CH3
 1042665.4995  0.0125 -4.9979 3  356.5803680  595161404421033 2    41 834 2      C-13-H3C(O)CH3
 1042669.0409  0.0128 -4.5128 3  356.5809680  59516140442 933 1    41 734 1      C-13-H3C(O)CH3
 1042669.0409  0.0128 -4.5128 3  356.5809680  595161404421033 1    41 834 1      C-13-H3C(O)CH3
 1042685.9020  0.1820 -5.6834 3 1629.9618D20  595161404823152 0    813051 0      C-13-H3C(O)CH3
 1042685.9020  0.1820 -5.4112 3 1629.9618D20  595161404823152 0    813151 0      C-13-H3C(O)CH3
 1042685.9020  0.1820 -5.4112 3 1629.9618D20  595161404823052 0    813051 0      C-13-H3C(O)CH3
 1042685.9020  0.1820 -5.6834 3 1629.9618D20  595161404823052 0    813151 0      C-13-H3C(O)CH3
 1042715.1963  0.0642 -5.7222 3  524.5751356  595161404443014 3    432716 3      C-13-H3C(O)CH3
 1042738.6131  0.0116 -4.1609 3  555.3695760  595161404472225 0    462126 0      C-13-H3C(O)CH3
 1042739.1643  0.0116 -4.1609 3  555.3695760  595161404472325 0    462026 0      C-13-H3C(O)CH3
 1042753.0907  0.0623 -5.1539 3  524.5916712  595161404443014 2    432716 2      C-13-H3C(O)CH3
 1042807.0093  0.0263 -4.2204 3  659.8640808  595161404502922 0    492623 0      C-13-H3C(O)CH3
 1042834.1915  0.1874 -5.5615 3 1843.5877F76  595161404981286 0    971385 0      C-13-H3C(O)CH3
 1042834.1915  0.1874 -5.5615 3 1843.5877F76  595161404981386 0    971285 0      C-13-H3C(O)CH3
 1042845.9877  0.0164 -4.1606 3  555.3479760  595161404472225 2    462126 2      C-13-H3C(O)CH3
 1042846.5945  0.0164 -4.1606 3  555.3479760  595161404472325 2    462026 2      C-13-H3C(O)CH3
 1042850.6645  0.0121 -4.1605 3  555.3494760  595161404472225 1    462126 1      C-13-H3C(O)CH3
 1042851.2580  0.0121 -4.1605 3  555.3494760  595161404472325 1    462026 1      C-13-H3C(O)CH3
 1042862.5055  0.1844 -5.4083 3 1843.6031F76  595161404981286 1    971285 1      C-13-H3C(O)CH3
 1042862.5055  0.1844 -5.4083 3 1843.6031F76  595161404981386 1    971385 1      C-13-H3C(O)CH3
 1042863.8832  0.1895 -5.4103 3 1843.6032F76  595161404981286 2    971385 2      C-13-H3C(O)CH3
 1042863.8832  0.1895 -5.4103 3 1843.6032F76  595161404981386 2    971285 2      C-13-H3C(O)CH3
 1042892.2280  0.1737 -5.7549 3 1843.6187788  595161404981386 3    971385 3      C-13-H3C(O)CH3
 1042892.2280  0.1737 -5.7549 3 1843.6187788  595161404981286 3    971285 3      C-13-H3C(O)CH3
 1042892.2580  0.1737 -5.8862 3 1843.6187788  595161404981286 4    971285 4      C-13-H3C(O)CH3
 1042892.2580  0.1737 -5.8862 3 1843.6187788  595161404981386 4    971385 4      C-13-H3C(O)CH3
 1042898.5093  0.0326 -4.2204 3  659.8510808  595161404502922 2    492623 2      C-13-H3C(O)CH3
 1042900.2335  0.0277 -4.2203 3  659.8535808  595161404502922 1    492623 1      C-13-H3C(O)CH3
 1042914.0780  0.0115 -4.5073 3  356.5968680  59516140442 933 0    41 734 0      C-13-H3C(O)CH3
 1042914.0780  0.0115 -4.5073 3  356.5968680  595161404421033 0    41 834 0      C-13-H3C(O)CH3
 1042958.2347  0.0177 -4.4613 3  555.3278380  595161404472225 3    462126 3      C-13-H3C(O)CH3
 1042958.4172  0.0178 -4.4613 3  555.3278380  595161404472225 4    462126 4      C-13-H3C(O)CH3
 1042958.8883  0.0176 -4.4613 3  555.3278380  595161404472325 3    462026 3      C-13-H3C(O)CH3
 1042959.0673  0.0178 -4.4613 3  555.3278380  595161404472325 4    462026 4      C-13-H3C(O)CH3
 1042991.2559  0.0342 -4.5213 3  659.8404404  595161404502922 4    492623 4      C-13-H3C(O)CH3
 1042995.3402  0.0336 -4.5213 3  659.8404404  595161404502922 3    492623 3      C-13-H3C(O)CH3
 1043005.8578  0.1871 -5.7945 3 1774.3892732  595161404912171 3    902070 3      C-13-H3C(O)CH3
 1043005.8578  0.1871 -5.7945 3 1774.3892732  595161404912071 3    902170 3      C-13-H3C(O)CH3
 1043005.8579  0.1871 -5.6616 3 1774.3892732  595161404912071 4    902070 4      C-13-H3C(O)CH3
 1043005.8579  0.1871 -5.6616 3 1774.3892732  595161404912171 4    902170 4      C-13-H3C(O)CH3
 1043007.8560  0.2506 -5.3653 3 1774.3652E64  595161404912071 1    902070 1      C-13-H3C(O)CH3
 1043007.8560  0.2506 -5.3653 3 1774.3652E64  595161404912171 1    902170 1      C-13-H3C(O)CH3
 1043013.6934  0.2548 -5.4336 3 1774.3679E64  595161404912171 2    902070 2      C-13-H3C(O)CH3
 1043013.6934  0.2548 -5.4336 3 1774.3679E64  595161404912071 2    902170 2      C-13-H3C(O)CH3
 1043015.6985  0.2352 -5.4681 3 1774.3439E64  595161404912071 0    902170 0      C-13-H3C(O)CH3
 1043015.6985  0.2352 -5.4829 3 1774.3439E64  595161404912171 0    902170 0      C-13-H3C(O)CH3
 1043042.9483  0.4656 -4.7194 3 1109.3515A32  595161404643926 0    633825 0      C-13-H3C(O)CH3
 1043090.0091  0.6225 -4.9079 3 1213.0525A80  595161404674028 0    663927 0      C-13-H3C(O)CH3
 1043208.0424  0.0279 -4.0167 3  893.9231436  5951614045448 6 4    5347 6 4      C-13-H3C(O)CH3
 1043216.5490  0.0200 -4.8016 3  515.5073712  595161404442816 0    432519 0      C-13-H3C(O)CH3
 1043248.5769  0.0220 -3.7157 3  893.9071872  5951614045448 6 1    5347 6 1      C-13-H3C(O)CH3
 1043257.2966  0.0231 -3.7156 3  893.8882872  5951614045448 6 2    5347 6 2      C-13-H3C(O)CH3
 1043291.8437  0.0307 -4.0167 3  893.9192436  5951614045448 6 3    5347 6 3      C-13-H3C(O)CH3
 1043298.2773  0.0207 -3.7156 3  893.8720872  5951614045448 7 0    5347 7 0      C-13-H3C(O)CH3
 1043298.2773  0.0207 -3.7156 3  893.8720872  5951614045448 6 0    5347 6 0      C-13-H3C(O)CH3
 1043341.6204  0.0271 -3.7156 3  893.8842872  5951614045448 7 2    5347 7 2      C-13-H3C(O)CH3
 1043349.7320  0.0303 -4.0166 3  893.9095436  5951614045448 7 3    5347 7 3      C-13-H3C(O)CH3
 1043390.8373  0.0256 -3.7156 3  893.8935872  5951614045448 7 1    5347 7 1      C-13-H3C(O)CH3
 1043428.2153  0.0206 -4.8011 3  515.4890712  595161404442816 1    432519 1      C-13-H3C(O)CH3
 1043433.6850  0.0385 -4.0166 3  893.9055436  5951614045448 7 4    5347 7 4      C-13-H3C(O)CH3
 1043437.0983  0.1610 -5.6807 3 1650.4260668  595161404832954 4    823053 4      C-13-H3C(O)CH3
 1043437.0983  0.1610 -5.6807 3 1650.4260668  595161404833054 4    822953 4      C-13-H3C(O)CH3
 1043437.1344  0.1610 -5.5685 3 1650.4259668  595161404833054 3    822953 3      C-13-H3C(O)CH3
 1043437.1344  0.1610 -5.5685 3 1650.4259668  595161404832954 3    823053 3      C-13-H3C(O)CH3
 1043459.5358  0.1888 -5.2884 3 1650.4084D36  595161404833054 1    822953 1      C-13-H3C(O)CH3
 1043459.5358  0.1888 -5.2884 3 1650.4084D36  595161404832954 1    823053 1      C-13-H3C(O)CH3
 1043463.8740  0.1879 -5.3316 3 1650.4117D36  595161404833054 2    823053 2      C-13-H3C(O)CH3
 1043463.8740  0.1879 -5.3316 3 1650.4117D36  595161404832954 2    822953 2      C-13-H3C(O)CH3
 1043486.2571  0.1896 -5.2470 3 1650.3942D36  595161404832954 0    823053 0      C-13-H3C(O)CH3
 1043486.2571  0.1896 -5.2470 3 1650.3942D36  595161404833054 0    822953 0      C-13-H3C(O)CH3
 1043499.4124  0.0202 -5.1232 3  312.0092332  59516140441 635 4    40 436 4      C-13-H3C(O)CH3
 1043499.4124  0.0202 -5.1232 3  312.0092332  59516140441 735 4    40 536 4      C-13-H3C(O)CH3
 1043499.9816  0.0188 -5.0981 3  312.0091332  59516140441 735 3    40 436 3      C-13-H3C(O)CH3
 1043499.9816  0.0188 -5.0981 3  312.0091332  59516140441 635 3    40 536 3      C-13-H3C(O)CH3
 1043529.2327  0.0189 -4.8019 3  515.4842712  595161404442816 2    432519 2      C-13-H3C(O)CH3
 1043539.9514  0.0698 -5.3956 3  524.5769356  595161404443014 4    432716 4      C-13-H3C(O)CH3
 1043679.1232  0.0176 -5.0997 3  515.4660356  595161404442816 3    432519 3      C-13-H3C(O)CH3
 1043721.9752  0.7412 -4.9075 3 1213.0452A80  595161404674028 2    663927 2      C-13-H3C(O)CH3
 1043804.1907  0.0191 -5.1050 3  515.4658356  595161404442816 4    432519 4      C-13-H3C(O)CH3
 1043846.4527  0.5678 -4.7176 3 1109.3415A32  595161404643926 2    633825 2      C-13-H3C(O)CH3
 1043879.1102  0.1866 -4.6371 3  911.0138468  595161404583622 3    573523 3      C-13-H3C(O)CH3
 1043990.3084  0.1592 -4.6401 3  911.0124468  595161404583622 4    573523 4      C-13-H3C(O)CH3
 1044015.1413  0.0154 -4.7816 3  312.0024664  59516140441 735 2    40 536 2      C-13-H3C(O)CH3
 1044015.1413  0.0154 -4.7816 3  312.0024664  59516140441 635 2    40 436 2      C-13-H3C(O)CH3
 1044017.6503  0.0169 -4.8415 3  312.0029664  59516140441 635 1    40 436 1      C-13-H3C(O)CH3
 1044017.6503  0.0169 -5.6143 3  312.0029664  59516140441 735 1    40 436 1      C-13-H3C(O)CH3
 1044017.6503  0.0169 -5.6143 3  312.0029664  59516140441 635 1    40 536 1      C-13-H3C(O)CH3
 1044017.6503  0.0169 -4.8415 3  312.0029664  59516140441 735 1    40 536 1      C-13-H3C(O)CH3
 1044028.4688  0.5551 -4.9071 3 1213.0332A80  595161404674028 1    663927 1      C-13-H3C(O)CH3
 1044034.3268  0.4105 -4.7171 3 1109.3352A32  595161404643926 1    633825 1      C-13-H3C(O)CH3
 1044038.0845  0.0373 -5.6868 3  266.8375324  59516140440 337 4    39 138 4      C-13-H3C(O)CH3
 1044038.0845  0.0373 -5.6868 3  266.8375324  59516140440 437 4    39 238 4      C-13-H3C(O)CH3
 1044054.0662  0.1787 -5.4182 3 1854.1670F92  595161404991288 0    981287 0      C-13-H3C(O)CH3
 1044054.0662  0.1787 -5.4182 3 1854.1670F92  595161404991188 0    981187 0      C-13-H3C(O)CH3
 1044060.5458  0.0368 -5.3521 3  950.4596952  595161404593822 2    583722 2      C-13-H3C(O)CH3
 1044067.8533  0.0391 -5.4228 3  950.4590952  595161404593822 1    583722 1      C-13-H3C(O)CH3
 1044085.6963  0.1756 -5.4682 3 1854.1786F92  595161404991188 1    981287 1      C-13-H3C(O)CH3
 1044085.6963  0.1756 -5.4571 3 1854.1786F92  595161404991288 1    981187 1      C-13-H3C(O)CH3
 1044086.5230  0.1763 -5.4654 3 1854.1785F92  595161404991188 2    981287 2      C-13-H3C(O)CH3
 1044086.5230  0.1763 -5.4654 3 1854.1785F92  595161404991288 2    981187 2      C-13-H3C(O)CH3
 1044116.2680  0.2538 -5.3857 3 1789.2382E80  595161404921973 1    911972 1      C-13-H3C(O)CH3
 1044116.2680  0.2538 -5.3857 3 1789.2382E80  595161404922073 1    912072 1      C-13-H3C(O)CH3
 1044117.6149  0.1895 -5.8051 3 1789.2625740  595161404921973 3    911972 3      C-13-H3C(O)CH3
 1044117.6149  0.1895 -5.8051 3 1789.2625740  595161404922073 3    912072 3      C-13-H3C(O)CH3
 1044117.6187  0.1895 -5.6774 3 1789.2626740  595161404921973 4    911972 4      C-13-H3C(O)CH3
 1044117.6187  0.1895 -5.6774 3 1789.2626740  595161404922073 4    912072 4      C-13-H3C(O)CH3
 1044118.1823  0.1702 -5.7343 3 1854.1902796  595161404991288 3    981187 3      C-13-H3C(O)CH3
 1044118.1823  0.1702 -5.7343 3 1854.1902796  595161404991188 3    981287 3      C-13-H3C(O)CH3
 1044118.2159  0.1702 -5.7187 3 1854.1902796  595161404991288 4    981187 4      C-13-H3C(O)CH3
 1044118.2159  0.1702 -5.7208 3 1854.1902796  595161404991188 4    981287 4      C-13-H3C(O)CH3
 1044120.5059  0.2377 -5.4221 3 1789.2163E80  595161404922073 0    911972 0      C-13-H3C(O)CH3
 1044120.5059  0.2377 -5.4221 3 1789.2163E80  595161404921973 0    912072 0      C-13-H3C(O)CH3
 1044121.8428  0.2594 -5.4583 3 1789.2406E80  595161404922073 2    911972 2      C-13-H3C(O)CH3
 1044121.8428  0.2594 -5.4583 3 1789.2406E80  595161404921973 2    912072 2      C-13-H3C(O)CH3
 1044141.4152  0.1057 -5.3879 3 1417.9750588  595161404733934 3    724033 3      C-13-H3C(O)CH3
 1044141.4625  0.1054 -5.3879 3 1417.9751588  595161404733934 4    724033 4      C-13-H3C(O)CH3
 1044149.2749  0.1087 -5.0868 3 1417.9620B76  595161404733934 1    724033 1      C-13-H3C(O)CH3
 1044149.3977  0.1107 -5.0867 3 1417.9663B76  595161404733934 2    724033 2      C-13-H3C(O)CH3
 1044151.3478  0.0433 -5.1616 3  950.4805476  595161404593822 4    583722 4      C-13-H3C(O)CH3
 1044157.1371  0.1116 -5.0867 3 1417.9533B76  595161404733934 0    724033 0      C-13-H3C(O)CH3
 1044167.3934  0.0088 -4.2049 3  478.3777728  595161404451828 0    441529 0      C-13-H3C(O)CH3
 1044167.3934  0.0088 -4.2049 3  478.3777728  595161404451728 0    441629 0      C-13-H3C(O)CH3
 1044188.6934  0.1776 -4.3396 3  911.0014936  595161404583622 2    573523 2      C-13-H3C(O)CH3
 1044195.9650  0.1297 -4.3396 3  911.0013936  595161404583622 1    573523 1      C-13-H3C(O)CH3
 1044241.5033  0.0113 -4.2047 3  478.3491728  595161404451728 2    441629 2      C-13-H3C(O)CH3
 1044241.5033  0.0113 -4.2047 3  478.3491728  595161404451828 2    441529 2      C-13-H3C(O)CH3
 1044244.8678  0.0107 -4.2046 3  478.3503728  595161404451828 1    441529 1      C-13-H3C(O)CH3
 1044244.8678  0.0107 -4.2047 3  478.3503728  595161404451728 1    441629 1      C-13-H3C(O)CH3
 1044296.4157  0.1660 -5.5686 3 1670.2875676  595161404842956 4    832955 4      C-13-H3C(O)CH3
 1044296.4157  0.1660 -5.5686 3 1670.2875676  595161404842856 4    832855 4      C-13-H3C(O)CH3
 1044296.4483  0.1660 -5.7143 3 1670.2875676  595161404842956 3    832855 3      C-13-H3C(O)CH3
 1044296.4483  0.1660 -5.7143 3 1670.2875676  595161404842856 3    832955 3      C-13-H3C(O)CH3
 1044317.7151  0.1979 -5.2796 3 1670.2693D52  595161404842856 1    832855 1      C-13-H3C(O)CH3
 1044317.7151  0.1979 -5.2796 3 1670.2693D52  595161404842956 1    832955 1      C-13-H3C(O)CH3
 1044319.0572  0.0128 -4.5053 3  478.3215364  595161404451728 4    441629 4      C-13-H3C(O)CH3
 1044319.0572  0.0128 -4.5053 3  478.3215364  595161404451828 4    441529 4      C-13-H3C(O)CH3
 1044319.1182  0.0128 -4.5054 3  478.3215364  595161404451728 3    441629 3      C-13-H3C(O)CH3
 1044319.1183  0.0128 -4.5053 3  478.3215364  595161404451828 3    441529 3      C-13-H3C(O)CH3
 1044322.4990  0.1968 -5.3076 3 1670.2727D52  595161404842856 2    832955 2      C-13-H3C(O)CH3
 1044322.4990  0.1968 -5.3076 3 1670.2727D52  595161404842956 2    832855 2      C-13-H3C(O)CH3
 1044343.7499  0.1972 -5.2822 3 1670.2545D52  595161404842956 0    832855 0      C-13-H3C(O)CH3
 1044343.7499  0.1972 -5.2822 3 1670.2545D52  595161404842856 0    832955 0      C-13-H3C(O)CH3
 1044413.5999  0.1086 -5.0865 3 1417.9596B76  595161404734034 2    723933 2      C-13-H3C(O)CH3
 1044416.1487  0.1209 -5.0864 3 1417.9467B76  595161404734034 0    723933 0      C-13-H3C(O)CH3
 1044425.8798  0.0954 -5.3876 3 1417.9679588  595161404734034 4    723933 4      C-13-H3C(O)CH3
 1044425.9960  0.0954 -5.3876 3 1417.9679588  595161404734034 3    723933 3      C-13-H3C(O)CH3
 1044428.3696  0.1127 -5.0865 3 1417.9550B76  595161404734034 1    723933 1      C-13-H3C(O)CH3
 1044458.3496  0.1335 -4.3417 3  910.9898936  595161404583622 0    573523 0      C-13-H3C(O)CH3
 1044531.8499  0.0146 -4.7831 3  311.9962664  59516140441 735 0    40 536 0      C-13-H3C(O)CH3
 1044531.8499  0.0146 -4.7831 3  311.9962664  59516140441 635 0    40 436 0      C-13-H3C(O)CH3
 1044659.3988  0.6075 -5.2078 3 1213.0260540  595161404674028 4    663927 4      C-13-H3C(O)CH3
 1044667.0868  0.6234 -5.2077 3 1213.0259540  595161404674028 3    663927 3      C-13-H3C(O)CH3
 1044717.1315  0.2531 -4.6867 3  812.6801444  595161404553322 3    543223 3      C-13-H3C(O)CH3
 1044747.3761  0.2472 -4.6870 3  812.6798444  595161404553322 4    543223 4      C-13-H3C(O)CH3
 1044788.6375  0.0191 -4.1863 3  625.0136792  595161404492623 0    482524 0      C-13-H3C(O)CH3
 1044819.0831  0.4676 -5.0166 3 1109.3258516  595161404643926 4    633825 4      C-13-H3C(O)CH3
 1044841.5780  0.0312 -4.1862 3  624.9988792  595161404492623 2    482524 2      C-13-H3C(O)CH3
 1044849.4050  0.4953 -5.0162 3 1109.3253516  595161404643926 3    633825 3      C-13-H3C(O)CH3
 1044857.3848  0.0195 -4.1861 3  625.0008792  595161404492623 1    482524 1      C-13-H3C(O)CH3
 1044862.7662  0.0239 -4.0761 3  901.2100444  595161404554610 4    544510 4      C-13-H3C(O)CH3
 1044909.9272  0.0326 -4.4869 3  624.9859396  595161404492623 3    482524 3      C-13-H3C(O)CH3
 1044910.5756  0.0329 -4.4869 3  624.9859396  595161404492623 4    482524 4      C-13-H3C(O)CH3
 1044923.8329  0.0210 -3.7750 3  901.1848888  595161404554610 2    544510 2      C-13-H3C(O)CH3
 1044950.7880  0.0176 -3.7749 3  901.1947888  5951614045546 9 1    5445 9 1      C-13-H3C(O)CH3
 1044955.9868  0.0416 -5.3758 3  266.7891648  59516140440 437 2    39 138 2      C-13-H3C(O)CH3
 1044955.9868  0.0416 -5.3758 3  266.7891648  59516140440 337 2    39 238 2      C-13-H3C(O)CH3
 1044957.2564  0.0443 -5.4154 3  266.7895648  59516140440 437 1    39 238 1      C-13-H3C(O)CH3
 1044957.2564  0.0443 -5.4154 3  266.7895648  59516140440 337 1    39 138 1      C-13-H3C(O)CH3
 1044967.5579  0.0249 -4.0761 3  901.2211444  5951614045546 9 3    5445 9 3      C-13-H3C(O)CH3
 1044988.6884  0.0259 -4.0761 3  901.2057444  595161404554610 3    544510 3      C-13-H3C(O)CH3
 1045011.9328  0.0163 -3.7749 3  901.1694888  595161404554610 0    5445 9 0      C-13-H3C(O)CH3
 1045011.9328  0.0163 -3.7749 3  901.1694888  5951614045546 9 0    544510 0      C-13-H3C(O)CH3
 1045029.0764  0.0205 -3.7750 3  901.1957888  5951614045546 9 2    5445 9 2      C-13-H3C(O)CH3
 1045077.1543  0.0186 -3.7749 3  901.1904888  595161404554610 1    544510 1      C-13-H3C(O)CH3
 1045094.0108  0.0288 -4.0761 3  901.2167444  5951614045546 9 4    5445 9 4      C-13-H3C(O)CH3
 1045122.9418  0.0141 -4.1678 3  590.1515776  595161404482424 0    472325 0      C-13-H3C(O)CH3
 1045140.0644  0.0140 -4.1678 3  590.1515776  595161404482524 0    472225 0      C-13-H3C(O)CH3
 1045162.2559  0.0910 -4.5618 3  689.3444412  595161404512922 3    502823 3      C-13-H3C(O)CH3
 1045164.4400  0.0185 -4.1861 3  625.0131792  595161404492723 0    482424 0      C-13-H3C(O)CH3
 1045168.3543  0.0917 -4.5618 3  689.3444412  595161404512922 4    502823 4      C-13-H3C(O)CH3
 1045203.2118  0.1709 -5.6515 3 1689.5835684  595161404852858 4    842757 4      C-13-H3C(O)CH3
 1045203.2118  0.1709 -5.6515 3 1689.5835684  595161404852758 4    842857 4      C-13-H3C(O)CH3
 1045203.2407  0.1709 -5.8037 3 1689.5835684  595161404852858 3    842757 3      C-13-H3C(O)CH3
 1045203.2407  0.1709 -5.8037 3 1689.5835684  595161404852758 3    842857 3      C-13-H3C(O)CH3
 1045218.2179  0.0215 -4.1676 3  590.1335776  595161404482424 2    472325 2      C-13-H3C(O)CH3
 1045223.1579  0.2071 -5.3003 3 1689.5647D68  595161404852858 1    842857 1      C-13-H3C(O)CH3
 1045223.1579  0.2071 -5.3003 3 1689.5647D68  595161404852758 1    842757 1      C-13-H3C(O)CH3
 1045225.4576  0.0145 -4.1675 3  590.1352776  595161404482424 1    472325 1      C-13-H3C(O)CH3
 1045228.3460  0.2061 -5.3010 3 1689.5681D68  595161404852858 2    842857 2      C-13-H3C(O)CH3
 1045228.3460  0.2061 -5.3010 3 1689.5681D68  595161404852758 2    842757 2      C-13-H3C(O)CH3
 1045236.6272  0.0213 -4.1676 3  590.1335776  595161404482524 2    472225 2      C-13-H3C(O)CH3
 1045238.1518  0.0284 -4.1860 3  624.9982792  595161404492723 2    482424 2      C-13-H3C(O)CH3
 1045241.1906  0.2545 -5.8782 3 1803.5736E96  595161404931875 1    921874 1      C-13-H3C(O)CH3
 1045241.1906  0.2545 -5.5630 3 1803.5736E96  595161404931875 1    921974 1      C-13-H3C(O)CH3
 1045241.1906  0.2545 -5.5630 3 1803.5736E96  595161404931975 1    921874 1      C-13-H3C(O)CH3
 1045241.1906  0.2545 -5.8782 3 1803.5736E96  595161404931975 1    921974 1      C-13-H3C(O)CH3
 1045241.4480  0.2385 -5.4742 3 1803.5513E96  595161404931975 0    921974 0      C-13-H3C(O)CH3
 1045241.4480  0.2385 -5.4742 3 1803.5513E96  595161404931875 0    921874 0      C-13-H3C(O)CH3
 1045243.5435  0.0146 -4.1675 3  590.1352776  595161404482524 1    472225 1      C-13-H3C(O)CH3
 1045246.1515  0.1915 -5.7192 3 1803.5982748  595161404931875 3    921974 3      C-13-H3C(O)CH3
 1045246.1515  0.1915 -5.7192 3 1803.5982748  595161404931975 3    921874 3      C-13-H3C(O)CH3
 1045246.1590  0.1915 -5.7225 3 1803.5982748  595161404931875 4    921874 4      C-13-H3C(O)CH3
 1045246.1590  0.1915 -5.7225 3 1803.5982748  595161404931975 4    921974 4      C-13-H3C(O)CH3
 1045246.3954  0.2616 -5.3918 3 1803.5757E96  595161404931975 2    921874 2      C-13-H3C(O)CH3
 1045246.3954  0.2616 -5.3918 3 1803.5757E96  595161404931875 2    921974 2      C-13-H3C(O)CH3
 1045248.2498  0.2048 -5.3448 3 1689.5493D68  595161404852858 0    842757 0      C-13-H3C(O)CH3
 1045248.2498  0.2048 -5.3448 3 1689.5493D68  595161404852758 0    842857 0      C-13-H3C(O)CH3
 1045248.5833  0.0193 -4.1859 3  625.0002792  595161404492723 1    482424 1      C-13-H3C(O)CH3
 1045289.5029  0.1722 -5.5481 3 1864.2209G08  595161404A01090 0    991189 0      C-13-H3C(O)CH3
 1045289.5029  0.1722 -5.5481 3 1864.2209G08  595161404A01190 0    991089 0      C-13-H3C(O)CH3
 1045320.8738  0.0228 -4.4683 3  590.1172388  595161404482424 3    472325 3      C-13-H3C(O)CH3
 1045321.1297  0.0230 -4.4683 3  590.1171388  595161404482424 4    472325 4      C-13-H3C(O)CH3
 1045322.6456  0.0302 -4.4867 3  624.9853396  595161404492723 4    482424 4      C-13-H3C(O)CH3
 1045322.8663  0.0299 -4.4867 3  624.9853396  595161404492723 3    482424 3      C-13-H3C(O)CH3
 1045323.3007  0.1731 -5.5397 3 1864.2277G08  595161404A01190 1    991089 1      C-13-H3C(O)CH3
 1045323.3007  0.1731 -5.5397 3 1864.2277G08  595161404A01090 1    991189 1      C-13-H3C(O)CH3
 1045323.6844  0.1685 -5.5491 3 1864.2274G08  595161404A01090 2    991189 2      C-13-H3C(O)CH3
 1045323.6844  0.1685 -5.5491 3 1864.2274G08  595161404A01190 2    991089 2      C-13-H3C(O)CH3
 1045337.1746  0.0927 -4.2609 3  689.3525824  595161404512922 2    502823 2      C-13-H3C(O)CH3
 1045340.3257  0.0226 -4.4683 3  590.1171388  595161404482524 3    472225 3      C-13-H3C(O)CH3
 1045340.5162  0.0228 -4.4683 3  590.1171388  595161404482524 4    472225 4      C-13-H3C(O)CH3
 1045351.8152  0.2604 -4.3880 3  812.6793888  595161404553322 2    543223 2      C-13-H3C(O)CH3
 1045357.5073  0.1661 -5.8303 3 1864.2342804  595161404A01190 3    991089 3      C-13-H3C(O)CH3
 1045357.5073  0.1661 -5.8303 3 1864.2342804  595161404A01090 3    991189 3      C-13-H3C(O)CH3
 1045357.5440  0.1661 -5.8245 3 1864.2342804  595161404A01190 4    991189 4      C-13-H3C(O)CH3
 1045357.5440  0.1661 -5.8245 3 1864.2342804  595161404A01090 4    991089 4      C-13-H3C(O)CH3
 1045368.4251  0.0281 -5.6336 3  462.0591664  595161404413012 1    402713 1      C-13-H3C(O)CH3
 1045414.8783  0.0516 -4.2608 3  689.3547824  595161404512922 1    502823 1      C-13-H3C(O)CH3
 1045438.8944  0.1630 -4.3882 3  812.6804888  595161404553322 1    543223 1      C-13-H3C(O)CH3
 1045583.6849  0.0556 -4.2609 3  689.3627824  595161404512922 0    502823 0      C-13-H3C(O)CH3
 1045757.2678  0.0211 -4.9484 3  462.0714664  595161404413012 0    402713 0      C-13-H3C(O)CH3
 1045873.5505  0.0394 -5.8900 3  266.7413648  59516140440 337 0    39 238 0      C-13-H3C(O)CH3
 1045873.5505  0.0394 -5.5209 3  266.7413648  59516140440 337 0    39 138 0      C-13-H3C(O)CH3
 1045873.5505  0.0394 -5.8900 3  266.7413648  59516140440 437 0    39 138 0      C-13-H3C(O)CH3
 1045873.5505  0.0394 -5.5209 3  266.7413648  59516140440 437 0    39 238 0      C-13-H3C(O)CH3
 1045962.9805  0.0436 -5.8643 3  462.0503332  595161404413012 3    402713 3      C-13-H3C(O)CH3
 1046061.9576  0.1718 -4.3903 3  812.6798888  595161404553322 0    543223 0      C-13-H3C(O)CH3
 1046083.3569  0.0217 -5.0469 3  462.0591664  595161404413011 1    402713 1      C-13-H3C(O)CH3
 1046126.4907  0.0277 -5.3675 3  462.0503332  595161404413011 3    402713 3      C-13-H3C(O)CH3
 1046149.7862  0.1756 -5.6372 3 1708.3193692  595161404862760 4    852759 4      C-13-H3C(O)CH3
 1046149.7862  0.1756 -5.6249 3 1708.3193692  595161404862660 4    852659 4      C-13-H3C(O)CH3
 1046149.8114  0.1756 -5.6686 3 1708.3193692  595161404862760 3    852759 3      C-13-H3C(O)CH3
 1046149.8114  0.1756 -5.6686 3 1708.3193692  595161404862660 3    852659 3      C-13-H3C(O)CH3
 1046168.1619  0.2165 -5.4250 3 1708.2997D84  595161404862760 1    852659 1      C-13-H3C(O)CH3
 1046168.1619  0.2165 -5.4250 3 1708.2997D84  595161404862660 1    852759 1      C-13-H3C(O)CH3
 1046168.9066  0.0247 -4.1469 3  910.2772452  595161404564413 4    554313 4      C-13-H3C(O)CH3
 1046173.7060  0.2156 -5.3638 3 1708.3032D84  595161404862760 2    852759 2      C-13-H3C(O)CH3
 1046173.7060  0.2156 -5.3638 3 1708.3032D84  595161404862660 2    852659 2      C-13-H3C(O)CH3
 1046192.0456  0.2122 -5.3081 3 1708.2837D84  595161404862660 0    852659 0      C-13-H3C(O)CH3
 1046192.0456  0.2122 -5.3081 3 1708.2837D84  595161404862760 0    852759 0      C-13-H3C(O)CH3
 1046206.3497  0.0219 -4.9913 3  462.0732664  595161404413011 2    402713 2      C-13-H3C(O)CH3
 1046247.9909  0.0215 -3.8457 3  910.2514904  595161404564413 2    554313 2      C-13-H3C(O)CH3
 1046286.4538  0.0162 -3.8456 3  910.2500904 -595161404564413 1    554313 1      C-13-H3C(O)CH3
 1046304.9528  0.1751 -5.4081 3 1390.5902580  595161404724032 3    714131 3      C-13-H3C(O)CH3
 1046305.5661  0.1716 -5.4081 3 1390.5902580  595161404724032 4    714131 4      C-13-H3C(O)CH3
 1046309.1900  0.0254 -4.1469 3  910.2793452  595161404564413 3    554313 3      C-13-H3C(O)CH3
 1046318.3054  0.0228 -4.1468 3  910.2905452  595161404564412 3    554312 3      C-13-H3C(O)CH3
 1046331.2088  0.1572 -5.1069 3 1390.5783B60  595161404724032 1    714131 1      C-13-H3C(O)CH3
 1046365.4681  0.0137 -3.8454 3  910.2241904 -595161404564412 0    554313 0      C-13-H3C(O)CH3
 1046365.4681  0.0137 -3.8454 3  910.2241904 -595161404564413 0    554312 0      C-13-H3C(O)CH3
 1046374.0619  0.0226 -5.2682 3  462.0659332  595161404413011 4    402713 4      C-13-H3C(O)CH3
 1046377.7126  0.2374 -5.5945 3 1817.3507F12  595161404941777 0    931876 0      C-13-H3C(O)CH3
 1046377.7126  0.2374 -5.8598 3 1817.3507F12  595161404941777 0    931776 0      C-13-H3C(O)CH3
 1046377.7126  0.2374 -5.5945 3 1817.3507F12  595161404941877 0    931776 0      C-13-H3C(O)CH3
 1046377.7126  0.2374 -5.8598 3 1817.3507F12  595161404941877 0    931876 0      C-13-H3C(O)CH3
 1046381.7833  0.2522 -5.4804 3 1817.3733F12  595161404941877 1    931776 1      C-13-H3C(O)CH3
 1046381.7833  0.2522 -5.4804 3 1817.3733F12  595161404941777 1    931876 1      C-13-H3C(O)CH3
 1046386.5164  0.2608 -5.5131 3 1817.3751F12  595161404941877 2    931776 2      C-13-H3C(O)CH3
 1046386.5164  0.2608 -5.5131 3 1817.3751F12  595161404941777 2    931876 2      C-13-H3C(O)CH3
 1046387.5764  0.1892 -5.1066 3 1390.5826B60  595161404724032 2    714131 2      C-13-H3C(O)CH3
 1046389.1316  0.0229 -5.0470 3  462.0250664  595161404413012 1    402714 1      C-13-H3C(O)CH3
 1046390.6041  0.1928 -5.8240 3 1817.3978756  595161404941877 3    931776 3      C-13-H3C(O)CH3
 1046390.6041  0.1928 -5.8240 3 1817.3978756  595161404941777 3    931876 3      C-13-H3C(O)CH3
 1046390.6151  0.1929 -5.8484 3 1817.3978756  595161404941777 4    931876 4      C-13-H3C(O)CH3
 1046390.6151  0.1929 -5.8484 3 1817.3978756  595161404941877 4    931776 4      C-13-H3C(O)CH3
 1046397.3887  0.0181 -3.8456 3  910.2646904 -595161404564412 2    554312 2      C-13-H3C(O)CH3
 1046412.5779  0.1560 -5.1065 3 1390.5707B60  595161404724032 0    714131 0      C-13-H3C(O)CH3
 1046426.7473  0.0155 -3.8455 3  910.2520904 -595161404564412 1    554312 1      C-13-H3C(O)CH3
 1046449.7109  0.0274 -4.3489 3  934.5516468  595161404584018 4    573918 4      C-13-H3C(O)CH3
 1046459.0485  0.0241 -4.1467 3  910.2925452  595161404564412 4    554312 4      C-13-H3C(O)CH3
 1046482.5776  0.0218 -4.0483 3  934.5047936  595161404584018 2    573918 2      C-13-H3C(O)CH3
 1046505.4721  0.0225 -4.0491 3  934.4962936  595161404584018 1    573918 1      C-13-H3C(O)CH3
 1046512.3485  0.0204 -4.0470 3  934.4500936 -595161404584019 0    573918 0      C-13-H3C(O)CH3
 1046539.1076  0.2370 -5.6599 3  934.5353468  595161404584019 3    573918 3      C-13-H3C(O)CH3
 1046566.3027  0.0204 -4.0469 3  934.4487936  595161404584018 0    573919 0      C-13-H3C(O)CH3
 1046582.4846  0.0208 -4.9480 3  462.0440664  595161404413011 0    402714 0      C-13-H3C(O)CH3
 1046638.6538  0.0307 -4.3697 3  934.5353468  595161404584018 3    573918 3      C-13-H3C(O)CH3
 1046669.8843  0.0319 -4.3695 3  934.5309468  595161404584019 3    573919 3      C-13-H3C(O)CH3
 1046677.2083  0.0284 -5.2702 3  462.0025332  595161404413012 4    402714 4      C-13-H3C(O)CH3
 1046697.4414  0.0211 -4.0485 3  934.4798936 -595161404584019 1    573919 1      C-13-H3C(O)CH3
 1046701.5879  0.0229 -4.0476 3  934.4842936  595161404584019 2    573919 2      C-13-H3C(O)CH3
 1046709.6416  0.0232 -4.9929 3  462.0271664  595161404413012 2    402714 2      C-13-H3C(O)CH3
 1046769.4306  0.2392 -5.6597 3  934.5309468  595161404584018 3    573919 3      C-13-H3C(O)CH3
 1046798.7405  0.0245 -5.8039 3  365.6781600  595161404372612 0    362115 0      C-13-H3C(O)CH3
 1046858.9133  0.0343 -4.3476 3  934.5147468  595161404584019 4    573919 4      C-13-H3C(O)CH3
 1046891.8953  0.0245 -4.2341 3  921.2979460  595161404574216 4    564116 4      C-13-H3C(O)CH3
 1046924.6005  0.0263 -5.3687 3  462.0182332  595161404413012 3    402714 3      C-13-H3C(O)CH3
 1046970.5571  0.0203 -3.9328 3  921.2624920  595161404574216 2    564116 2      C-13-H3C(O)CH3
 1047003.9926  0.0174 -3.9327 3  921.2538920  595161404574216 1    564115 1      C-13-H3C(O)CH3
 1047013.9934  0.0487 -4.2264 3  950.4344952  595161404593821 0    583722 0      C-13-H3C(O)CH3
 1047062.8226  0.0257 -4.2339 3  921.2968460  595161404574216 3    564116 3      C-13-H3C(O)CH3
 1047082.8693  0.0127 -3.9324 3  921.2183920 -595161404574215 0    564116 0      C-13-H3C(O)CH3
 1047082.8693  0.0127 -3.9324 3  921.2183920 -595161404574216 0    564115 0      C-13-H3C(O)CH3
 1047087.4864  0.0243 -4.2337 3  921.2993460  595161404574215 3    564115 3      C-13-H3C(O)CH3
 1047088.1106  0.0485 -5.8622 3  462.0182332  595161404413011 3    402714 3      C-13-H3C(O)CH3
 1047104.0633  0.0318 -5.6324 3  462.0250664  595161404413011 1    402714 1      C-13-H3C(O)CH3
 1047130.2259  0.1801 -5.6458 3 1726.4993700  595161404872662 4    862661 4      C-13-H3C(O)CH3
 1047130.2259  0.1801 -5.6458 3 1726.4993700  595161404872562 4    862561 4      C-13-H3C(O)CH3
 1047130.2473  0.1801 -5.9038 3 1726.4993700  595161404872662 3    862561 3      C-13-H3C(O)CH3
 1047130.2473  0.1801 -5.9038 3 1726.4993700  595161404872562 3    862661 3      C-13-H3C(O)CH3
 1047146.8070  0.2259 -5.3281 3 1726.4790E00  595161404872662 1    862561 1      C-13-H3C(O)CH3
 1047146.8070  0.2259 -5.3281 3 1726.4790E00  595161404872562 1    862661 1      C-13-H3C(O)CH3
 1047152.6500  0.2254 -5.8617 3 1726.4825E00  595161404872562 2    862561 2      C-13-H3C(O)CH3
 1047152.6500  0.2254 -5.4780 3 1726.4825E00  595161404872662 2    862561 2      C-13-H3C(O)CH3
 1047152.6500  0.2254 -5.4780 3 1726.4825E00  595161404872562 2    862661 2      C-13-H3C(O)CH3
 1047152.6500  0.2254 -5.8617 3 1726.4825E00  595161404872662 2    862661 2      C-13-H3C(O)CH3
 1047166.1544  0.0199 -3.9324 3  921.2638920  595161404574215 2    564115 2      C-13-H3C(O)CH3
 1047169.2012  0.2195 -5.4398 3 1726.4622E00  595161404872662 0    862561 0      C-13-H3C(O)CH3
 1047169.2012  0.2195 -5.4398 3 1726.4622E00  595161404872562 0    862661 0      C-13-H3C(O)CH3
 1047174.8322  0.0176 -3.9324 3  921.2527920  595161404574215 1    564116 1      C-13-H3C(O)CH3
 1047197.7152  0.0382 -4.5256 3  950.4884476  595161404593821 3    583722 3      C-13-H3C(O)CH3
 1047237.8540  0.0439 -3.6655 3  898.2243856  5951614045351 2 1    5250 2 1      C-13-H3C(O)CH3
 1047242.6228  0.0842 -4.2538 3  950.4590952  595161404593821 1    583722 1      C-13-H3C(O)CH3
 1047243.7249  0.0530 -3.9666 3  898.2678428  5951614045351 2 4    5250 2 4      C-13-H3C(O)CH3
 1047258.5798  0.0285 -4.2335 3  921.2982460  595161404574215 4    564115 4      C-13-H3C(O)CH3
 1047260.9993  0.1034 -4.2590 3  950.4596952  595161404593821 2    583722 2      C-13-H3C(O)CH3
 1047324.6868  0.0418 -3.6654 3  898.1677856  5951614045351 2 0    5250 3 0      C-13-H3C(O)CH3
 1047324.6868  0.0418 -3.6654 3  898.1677856  5951614045351 3 0    5250 2 0      C-13-H3C(O)CH3
 1047330.1831  0.0437 -3.6654 3  898.2111856  5951614045351 2 2    5250 2 2      C-13-H3C(O)CH3
 1047370.4088  0.0559 -3.9665 3  898.2359428  5951614045351 3 3    5250 3 3      C-13-H3C(O)CH3
 1047449.4945  0.0507 -3.6653 3  898.2093856  5951614045351 3 1    5250 3 1      C-13-H3C(O)CH3
 1047455.5340  0.0540 -3.9664 3  898.2527428  5951614045351 2 3    5250 2 3      C-13-H3C(O)CH3
 1047456.6351  0.0551 -3.6653 3  898.1793856  5951614045351 3 2    5250 3 2      C-13-H3C(O)CH3
 1047528.7376  0.2341 -5.4376 3 1830.6164F28  595161404951679 0    941678 0      C-13-H3C(O)CH3
 1047528.7376  0.2341 -5.5301 3 1830.6164F28  595161404951779 0    941678 0      C-13-H3C(O)CH3
 1047537.4278  0.2467 -5.6621 3 1830.6389F28  595161404951779 1    941678 1      C-13-H3C(O)CH3
 1047537.4278  0.2467 -5.7894 3 1830.6389F28  595161404951779 1    941778 1      C-13-H3C(O)CH3
 1047537.4278  0.2467 -5.6621 3 1830.6389F28  595161404951679 1    941778 1      C-13-H3C(O)CH3
 1047537.4278  0.2467 -5.7894 3 1830.6389F28  595161404951679 1    941678 1      C-13-H3C(O)CH3
 1047541.5996  0.2564 -5.6140 3 1830.6403F28  595161404951679 2    941778 2      C-13-H3C(O)CH3
 1047541.5996  0.2564 -5.8636 3 1830.6403F28  595161404951679 2    941678 2      C-13-H3C(O)CH3
 1047541.5996  0.2564 -5.8636 3 1830.6403F28  595161404951779 2    941778 2      C-13-H3C(O)CH3
 1047541.5996  0.2564 -5.6140 3 1830.6403F28  595161404951779 2    941678 2      C-13-H3C(O)CH3
 1047550.3248  0.1935 -5.7997 3 1830.6629764  595161404951779 4    941778 4      C-13-H3C(O)CH3
 1047550.3248  0.1935 -5.7997 3 1830.6629764  595161404951679 4    941678 4      C-13-H3C(O)CH3
 1047581.5814  0.0721 -3.9663 3  898.2209428  5951614045351 3 4    5250 3 4      C-13-H3C(O)CH3
 1047759.8703  0.2286 -4.6393 3  950.4805476  595161404593821 4    583722 4      C-13-H3C(O)CH3
 1047770.4898  0.0550 -4.3041 3  694.4771824  595161404513121 0    502822 0      C-13-H3C(O)CH3
 1047848.8665  0.0088 -5.1441 3  435.2444712  595161404441430 0    431231 0      C-13-H3C(O)CH3
 1047848.8665  0.0088 -4.3134 3  435.2444712  595161404441430 0    431331 0      C-13-H3C(O)CH3
 1047848.8665  0.0088 -5.3531 3  435.2444712  595161404441530 0    431331 0      C-13-H3C(O)CH3
 1047848.8665  0.0088 -4.3386 3  435.2444712  595161404441530 0    431231 0      C-13-H3C(O)CH3
 1047853.2517  0.0113 -5.0597 3  435.2149712  595161404441430 2    431231 2      C-13-H3C(O)CH3
 1047853.2517  0.0113 -4.3533 3  435.2149712  595161404441430 2    431331 2      C-13-H3C(O)CH3
 1047853.2517  0.0113 -4.3533 3  435.2149712  595161404441530 2    431231 2      C-13-H3C(O)CH3
 1047853.2517  0.0113 -5.0597 3  435.2149712  595161404441530 2    431331 2      C-13-H3C(O)CH3
 1047856.8669  0.0114 -5.6974 3  435.2158712  595161404441430 1    431231 1      C-13-H3C(O)CH3
 1047856.8669  0.0114 -4.2771 3  435.2158712  595161404441530 1    431231 1      C-13-H3C(O)CH3
 1047856.8669  0.0114 -4.2920 3  435.2158712  595161404441430 1    431331 1      C-13-H3C(O)CH3
 1047861.0012  0.0122 -4.6215 3  435.1863356  595161404441530 4    431331 4      C-13-H3C(O)CH3
 1047861.0012  0.0122 -5.5801 3  435.1863356  595161404441430 4    431331 4      C-13-H3C(O)CH3
 1047861.0012  0.0122 -4.6215 3  435.1863356  595161404441430 4    431231 4      C-13-H3C(O)CH3
 1047861.0012  0.0122 -5.5801 3  435.1863356  595161404441530 4    431231 4      C-13-H3C(O)CH3
 1047861.2896  0.0121 -4.8396 3  435.1863356  595161404441430 3    431331 3      C-13-H3C(O)CH3
 1047861.2896  0.0121 -4.9183 3  435.1863356  595161404441430 3    431231 3      C-13-H3C(O)CH3
 1047861.2896  0.0121 -4.8396 3  435.1863356  595161404441530 3    431231 3      C-13-H3C(O)CH3
 1047861.2896  0.0121 -4.9183 3  435.1863356  595161404441530 3    431331 3      C-13-H3C(O)CH3
 1047909.1700  0.0391 -5.5546 3  502.9873348  595161404433014 4    422715 4      C-13-H3C(O)CH3
 1047983.4799  0.0270 -5.1445 3  502.9980696  595161404433014 1    422715 1      C-13-H3C(O)CH3
 1048092.0492  0.0491 -4.3050 3  694.4649824  595161404513121 1    502822 1      C-13-H3C(O)CH3
 1048139.9527  0.1844 -5.6978 3 1744.1274708  595161404882564 4    872563 4      C-13-H3C(O)CH3
 1048139.9527  0.1844 -5.6978 3 1744.1274708  595161404882464 4    872463 4      C-13-H3C(O)CH3
 1048139.9702  0.1844 -5.7021 3 1744.1274708  595161404882564 3    872463 3      C-13-H3C(O)CH3
 1048139.9702  0.1844 -5.7021 3 1744.1274708  595161404882464 3    872563 3      C-13-H3C(O)CH3
 1048148.5641  0.0240 -4.8395 3  503.0112696  595161404433014 0    422715 0      C-13-H3C(O)CH3
 1048154.5043  0.2352 -5.8962 3 1744.1063E16  595161404882464 1    872563 1      C-13-H3C(O)CH3
 1048154.5043  0.2352 -5.4708 3 1744.1063E16  595161404882464 1    872463 1      C-13-H3C(O)CH3
 1048154.5043  0.2352 -5.4912 3 1744.1063E16  595161404882564 1    872563 1      C-13-H3C(O)CH3
 1048160.5789  0.2352 -5.7749 3 1744.1097E16  595161404882464 2    872563 2      C-13-H3C(O)CH3
 1048160.5789  0.2352 -5.5501 3 1744.1097E16  595161404882464 2    872463 2      C-13-H3C(O)CH3
 1048160.5789  0.2352 -5.7749 3 1744.1097E16  595161404882564 2    872463 2      C-13-H3C(O)CH3
 1048160.5789  0.2352 -5.5501 3 1744.1097E16  595161404882564 2    872563 2      C-13-H3C(O)CH3
 1048175.1070  0.2266 -5.3476 3 1744.0887E16  595161404882464 0    872463 0      C-13-H3C(O)CH3
 1048175.1070  0.2266 -5.3476 3 1744.0887E16  595161404882564 0    872563 0      C-13-H3C(O)CH3
 1048175.9981  0.0344 -5.1924 3  502.9985696  595161404433014 2    422715 2      C-13-H3C(O)CH3
 1048177.0138  0.0436 -4.3055 3  694.4607824  595161404513121 2    502822 2      C-13-H3C(O)CH3
 1048295.0008  0.0420 -5.8713 3  482.1805340  595161404423013 4    412714 4      C-13-H3C(O)CH3
 1048487.4212  0.0244 -4.6076 3  694.4484412  595161404513121 4    502822 4      C-13-H3C(O)CH3
 1048519.2220  0.0269 -4.6074 3  694.4483412  595161404513121 3    502822 3      C-13-H3C(O)CH3
 1048642.4914  0.0265 -5.3032 3  482.1814680  595161404423013 1    412714 1      C-13-H3C(O)CH3
 1048652.1181  0.3567 -5.0730 3 1355.5915B44  595161404714131 0    704030 0      C-13-H3C(O)CH3
 1048694.1850  0.2286 -5.4332 3 1843.3499F44  595161404961581 0    951680 0      C-13-H3C(O)CH3
 1048694.1850  0.2286 -5.4332 3 1843.3499F44  595161404961681 0    951580 0      C-13-H3C(O)CH3
 1048707.6935  0.2379 -5.4514 3 1843.3719F44  595161404961581 1    951680 1      C-13-H3C(O)CH3
 1048707.6935  0.2379 -5.4514 3 1843.3719F44  595161404961681 1    951580 1      C-13-H3C(O)CH3
 1048711.2337  0.2483 -5.6942 3 1843.3730F44  595161404961581 2    951680 2      C-13-H3C(O)CH3
 1048711.2337  0.2483 -5.7783 3 1843.3730F44  595161404961681 2    951680 2      C-13-H3C(O)CH3
 1048711.2337  0.2483 -5.6942 3 1843.3730F44  595161404961681 2    951580 2      C-13-H3C(O)CH3
 1048711.2337  0.2483 -5.7783 3 1843.3730F44  595161404961581 2    951580 2      C-13-H3C(O)CH3
 1048721.3276  0.0348 -5.4224 3  482.1887680  595161404423013 2    412714 2      C-13-H3C(O)CH3
 1048724.7664  0.1933 -5.7518 3 1843.3950772  595161404961681 3    951580 3      C-13-H3C(O)CH3
 1048724.7664  0.1933 -5.7518 3 1843.3950772  595161404961581 3    951680 3      C-13-H3C(O)CH3
 1048782.2074  0.2229 -4.6749 3  781.0359436  595161404543222 3    533123 3      C-13-H3C(O)CH3
 1048798.6675  0.3723 -5.0731 3 1355.5984B44  595161404714131 2    704030 2      C-13-H3C(O)CH3
 1048802.1442  0.2203 -4.6750 3  781.0357436  595161404543222 4    533123 4      C-13-H3C(O)CH3
 1048820.9517  0.0309 -5.1350 3  502.9980696  595161404433013 1    422715 1      C-13-H3C(O)CH3
 1048871.6064  0.0439 -5.3877 3  502.9830348  595161404433014 3    422715 3      C-13-H3C(O)CH3
 1048883.6040  0.0133 -5.5975 3  349.7491600  595161404372216 0    361719 0      C-13-H3C(O)CH3
 1048923.8763  0.0146 -5.5970 3  349.7209600  595161404372216 2    361719 2      C-13-H3C(O)CH3
 1048925.6587  0.0225 -4.8911 3  482.1939680  595161404423013 0    412714 0      C-13-H3C(O)CH3
 1048968.1330  0.3123 -5.0731 3 1355.5885B44  595161404714131 1    704030 1      C-13-H3C(O)CH3
 1048980.7004  0.0139 -5.5959 3  349.7246600  595161404372216 1    361719 1      C-13-H3C(O)CH3
 1049019.1068  0.0153 -5.8961 3  349.6963300  595161404372216 4    361719 4      C-13-H3C(O)CH3
 1049022.0723  0.0150 -5.8961 3  349.6963300  595161404372216 3    361719 3      C-13-H3C(O)CH3
 1049116.9396  0.2720 -5.3743 3 1355.5955572  595161404714131 4    704030 4      C-13-H3C(O)CH3
 1049117.9599  0.2789 -5.3743 3 1355.5954572  595161404714131 3    704030 3      C-13-H3C(O)CH3
 1049154.0702  0.0175 -5.3507 3  398.9712632  595161404392515 0    382018 0      C-13-H3C(O)CH3
 1049175.4002  0.1885 -5.7596 3 1761.2068716  595161404892366 4    882365 4      C-13-H3C(O)CH3
 1049175.4002  0.1885 -5.7596 3 1761.2068716  595161404892466 4    882465 4      C-13-H3C(O)CH3
 1049175.4137  0.1885 -5.7217 3 1761.2068716  595161404892366 3    882365 3      C-13-H3C(O)CH3
 1049175.4137  0.1885 -5.7217 3 1761.2068716  595161404892466 3    882465 3      C-13-H3C(O)CH3
 1049187.6743  0.2442 -5.3787 3 1761.1849E32  595161404892466 1    882365 1      C-13-H3C(O)CH3
 1049187.6743  0.2442 -5.3787 3 1761.1849E32  595161404892366 1    882465 1      C-13-H3C(O)CH3
 1049193.9021  0.2450 -5.3770 3 1761.1883E32  595161404892466 2    882465 2      C-13-H3C(O)CH3
 1049193.9021  0.2450 -5.3770 3 1761.1883E32  595161404892366 2    882365 2      C-13-H3C(O)CH3
 1049206.1593  0.2333 -5.4524 3 1761.1664E32  595161404892366 0    882465 0      C-13-H3C(O)CH3
 1049206.1593  0.2333 -5.4903 3 1761.1664E32  595161404892466 0    882365 0      C-13-H3C(O)CH3
 1049208.6505  0.0333 -4.0145 3  903.3868436  5951614045449 5 4    5348 5 4      C-13-H3C(O)CH3
 1049222.9224  0.0486 -5.5022 3  502.9830348  595161404433013 3    422715 3      C-13-H3C(O)CH3
 1049236.6367  0.0266 -3.7134 3  903.3670872  5951614045449 5 1    5348 5 1      C-13-H3C(O)CH3
 1049265.2593  0.0272 -3.7133 3  903.3473872  5951614045449 5 2    5348 5 2      C-13-H3C(O)CH3
 1049293.7915  0.0251 -3.7133 3  903.3274872  5951614045449 5 0    5348 6 0      C-13-H3C(O)CH3
 1049293.7915  0.0251 -3.7133 3  903.3274872  5951614045449 6 0    5348 5 0      C-13-H3C(O)CH3
 1049294.2319  0.0362 -4.0144 3  903.3768436  5951614045449 5 3    5348 5 3      C-13-H3C(O)CH3
 1049301.1795  0.0168 -5.3497 3  398.9478632  595161404392515 1    382018 1      C-13-H3C(O)CH3
 1049311.5857  0.1358 -5.4779 3 1553.5992628  595161404783543 4    773642 4      C-13-H3C(O)CH3
 1049311.5857  0.1358 -5.4779 3 1553.5992628  595161404783643 4    773542 4      C-13-H3C(O)CH3
 1049311.6416  0.1358 -5.4779 3 1553.5992628  595161404783543 3    773642 3      C-13-H3C(O)CH3
 1049311.6417  0.1358 -5.4779 3 1553.5992628  595161404783643 3    773542 3      C-13-H3C(O)CH3
 1049323.9900  0.1297 -5.4601 3 1529.4859620  595161404773641 4    763740 4      C-13-H3C(O)CH3
 1049323.9923  0.1297 -5.4601 3 1529.4859620  595161404773741 4    763640 4      C-13-H3C(O)CH3
 1049324.0478  0.1298 -5.4601 3 1529.4859620  595161404773641 3    763740 3      C-13-H3C(O)CH3
 1049324.0502  0.1298 -5.4601 3 1529.4859620  595161404773741 3    763640 3      C-13-H3C(O)CH3
 1049328.5049  0.0237 -5.5916 3  410.3905308  5951614043831 8 3    3728 9 3      C-13-H3C(O)CH3
 1049337.7092  0.1487 -5.1769 3 1553.5849C56  595161404783543 1    773642 1      C-13-H3C(O)CH3
 1049337.7093  0.1487 -5.1769 3 1553.5849C56  595161404783643 1    773542 1      C-13-H3C(O)CH3
 1049338.4944  0.1485 -5.1772 3 1553.5880C56  595161404783543 2    773642 2      C-13-H3C(O)CH3
 1049338.4945  0.1485 -5.1772 3 1553.5880C56  595161404783643 2    773542 2      C-13-H3C(O)CH3
 1049344.4524  0.0238 -5.5941 3  410.3736308  5951614043831 8 4    372810 4      C-13-H3C(O)CH3
 1049348.8544  0.1410 -5.1592 3 1529.4750C40  595161404773641 2    763740 2      C-13-H3C(O)CH3
 1049348.8561  0.1410 -5.1592 3 1529.4750C40  595161404773741 2    763640 2      C-13-H3C(O)CH3
 1049348.9830  0.1410 -5.1591 3 1529.4718C40  595161404773641 1    763740 1      C-13-H3C(O)CH3
 1049348.9855  0.1410 -5.1591 3 1529.4718C40  595161404773741 1    763640 1      C-13-H3C(O)CH3
 1049351.2423  0.0332 -3.7133 3  903.3373872  5951614045449 6 2    5348 6 2      C-13-H3C(O)CH3
 1049352.8199  0.0399 -5.5584 3  482.1709340  595161404423013 3    412714 3      C-13-H3C(O)CH3
 1049357.2725  0.0430 -5.0949 3  502.9985696  595161404433013 2    422715 2      C-13-H3C(O)CH3
 1049363.2635  0.0354 -4.0143 3  903.3724436  5951614045449 6 3    5348 6 3      C-13-H3C(O)CH3
 1049364.5287  0.1539 -5.1770 3 1553.5737C56  595161404783543 0    773642 0      C-13-H3C(O)CH3
 1049364.5288  0.1539 -5.1770 3 1553.5737C56  595161404783643 0    773542 0      C-13-H3C(O)CH3
 1049369.6561  0.2308 -4.3752 3  781.0377872  595161404543222 2    533123 2      C-13-H3C(O)CH3
 1049373.7559  0.1463 -5.1591 3 1529.4610C40  595161404773641 0    763740 0      C-13-H3C(O)CH3
 1049373.7577  0.1463 -5.1591 3 1529.4610C40  595161404773741 0    763640 0      C-13-H3C(O)CH3
 1049391.7149  0.0313 -3.7133 3  903.3527872  5951614045449 6 1    5348 6 1      C-13-H3C(O)CH3
 1049409.9896  0.0259 -5.1019 3  482.1814680  595161404423012 1    412714 1      C-13-H3C(O)CH3
 1049427.5762  0.0205 -5.2938 3  410.3947616  5951614043831 8 1    372810 1      C-13-H3C(O)CH3
 1049448.7480  0.0462 -4.0143 3  903.3624436  5951614045449 6 4    5348 6 4      C-13-H3C(O)CH3
 1049477.0639  0.0165 -5.3524 3  398.9420632  595161404392515 2    382018 2      C-13-H3C(O)CH3
 1049477.2515  0.1398 -4.3753 3  781.0392872  595161404543222 1    533123 1      C-13-H3C(O)CH3
 1049541.9913  0.0211 -5.2934 3  410.4259616  5951614043831 7 2    3728 9 2      C-13-H3C(O)CH3
 1049552.1672  0.1418 -5.4974 3 1577.0594636  595161404793545 4    783444 4      C-13-H3C(O)CH3
 1049552.1672  0.1418 -5.4974 3 1577.0594636  595161404793445 4    783544 4      C-13-H3C(O)CH3
 1049552.2207  0.1418 -5.4976 3 1577.0594636  595161404793445 3    783544 3      C-13-H3C(O)CH3
 1049552.2207  0.1418 -5.4977 3 1577.0594636  595161404793545 3    783444 3      C-13-H3C(O)CH3
 1049560.0468  0.0198 -5.2959 3  410.4091616  5951614043831 8 2    372810 2      C-13-H3C(O)CH3
 1049578.8112  0.1565 -5.1963 3 1577.0448C72  595161404793445 1    783544 1      C-13-H3C(O)CH3
 1049578.8112  0.1565 -5.1963 3 1577.0448C72  595161404793545 1    783444 1      C-13-H3C(O)CH3
 1049580.3580  0.1562 -5.2676 3 1577.0479C72  595161404793545 2    783444 2      C-13-H3C(O)CH3
 1049580.3580  0.1562 -5.2689 3 1577.0479C72  595161404793445 2    783544 2      C-13-H3C(O)CH3
 1049594.6982  0.0148 -5.6532 3  398.9185316  595161404392515 4    382018 4      C-13-H3C(O)CH3
 1049606.9166  0.1616 -5.1970 3 1577.0333C72  595161404793545 0    783444 0      C-13-H3C(O)CH3
 1049606.9166  0.1616 -5.1967 3 1577.0333C72  595161404793445 0    783544 0      C-13-H3C(O)CH3
 1049612.3937  0.0369 -5.4345 3  482.1709340  595161404423012 3    412714 3      C-13-H3C(O)CH3
 1049645.2745  0.0202 -5.2965 3  410.4299616  5951614043831 8 0    3728 9 0      C-13-H3C(O)CH3
 1049646.1583  0.0202 -5.2965 3  410.4299616  5951614043831 7 0    372810 0      C-13-H3C(O)CH3
 1049647.3931  0.0158 -5.6512 3  398.9185316  595161404392515 3    382018 3      C-13-H3C(O)CH3
 1049698.7088  0.1235 -5.4448 3 1504.6860612  595161404763739 4    753838 4      C-13-H3C(O)CH3
 1049698.7672  0.1235 -5.4447 3 1504.6860612  595161404763739 3    753838 3      C-13-H3C(O)CH3
 1049698.8070  0.1235 -5.4448 3 1504.6860612  595161404763839 4    753738 4      C-13-H3C(O)CH3
 1049698.8657  0.1235 -5.4447 3 1504.6860612  595161404763839 3    753738 3      C-13-H3C(O)CH3
 1049715.3146  0.0277 -5.5917 3  410.4044308  5951614043831 7 4    3728 9 4      C-13-H3C(O)CH3
 1049720.3248  0.1335 -5.1437 3 1504.6755C24  595161404763739 2    753838 2      C-13-H3C(O)CH3
 1049720.4060  0.1335 -5.1437 3 1504.6755C24  595161404763839 2    753738 2      C-13-H3C(O)CH3
 1049721.6335  0.1336 -5.1437 3 1504.6722C24  595161404763739 1    753838 1      C-13-H3C(O)CH3
 1049721.7328  0.1336 -5.1437 3 1504.6722C24  595161404763839 1    753738 1      C-13-H3C(O)CH3
 1049734.6240  0.0242 -5.5942 3  410.3875308  5951614043831 7 3    372810 3      C-13-H3C(O)CH3
 1049743.1593  0.1388 -5.1437 3 1504.6618C24  595161404763739 0    753838 0      C-13-H3C(O)CH3
 1049743.2412  0.1388 -5.1437 3 1504.6618C24  595161404763839 0    753738 0      C-13-H3C(O)CH3
 1049748.7529  0.0299 -5.0422 3  482.1887680  595161404423012 2    412714 2      C-13-H3C(O)CH3
 1049815.5923  0.0218 -5.2938 3  410.4085616  5951614043831 7 1    3728 9 1      C-13-H3C(O)CH3
 1049816.0380  0.0098 -4.1845 3  513.2074744  595161404461927 0    451828 0      C-13-H3C(O)CH3
 1049816.0387  0.0098 -4.1845 3  513.2074744  595161404462027 0    451728 0      C-13-H3C(O)CH3
 1049845.7301  0.3238 -5.3080 3  956.4288476  595161404593921 4    583820 4      C-13-H3C(O)CH3
 1049873.9241  0.2211 -5.4720 3 1855.5528F60  595161404971483 0    961582 0      C-13-H3C(O)CH3
 1049873.9241  0.2211 -5.4720 3 1855.5528F60  595161404971583 0    961482 0      C-13-H3C(O)CH3
 1049892.3111  0.2261 -5.6116 3 1855.5737F60  595161404971583 1    961582 1      C-13-H3C(O)CH3
 1049892.3111  0.2261 -5.6116 3 1855.5737F60  595161404971483 1    961482 1      C-13-H3C(O)CH3
 1049895.1763  0.2364 -5.4692 3 1855.5744F60  595161404971483 2    961582 2      C-13-H3C(O)CH3
 1049895.1763  0.2364 -5.4692 3 1855.5744F60  595161404971583 2    961482 2      C-13-H3C(O)CH3
 1049913.5907  0.1922 -5.7571 3 1855.5953780  595161404971583 3    961482 3      C-13-H3C(O)CH3
 1049913.5907  0.1922 -5.7571 3 1855.5953780  595161404971483 3    961582 3      C-13-H3C(O)CH3
 1049917.2987  0.0127 -4.1842 3  513.1812744  595161404461927 2    451828 2      C-13-H3C(O)CH3
 1049917.2996  0.0127 -4.1842 3  513.1812744  595161404462027 2    451728 2      C-13-H3C(O)CH3
 1049920.3305  0.0111 -4.1841 3  513.1825744  595161404461927 1    451828 1      C-13-H3C(O)CH3
 1049920.3314  0.0111 -4.1841 3  513.1825744  595161404462027 1    451728 1      C-13-H3C(O)CH3
 1049924.6617  0.0471 -5.3510 3  502.9873348  595161404433013 4    422715 4      C-13-H3C(O)CH3
 1049976.5246  0.1477 -5.7501 3 1599.8905644  595161404803447 4    793346 4      C-13-H3C(O)CH3
 1049976.5246  0.1477 -5.9006 3 1599.8905644  595161404803347 4    793346 4      C-13-H3C(O)CH3
 1049976.5246  0.1477 -5.9006 3 1599.8905644  595161404803447 4    793446 4      C-13-H3C(O)CH3
 1049976.5246  0.1477 -5.7501 3 1599.8905644  595161404803347 4    793446 4      C-13-H3C(O)CH3
 1049976.5752  0.1478 -5.6073 3 1599.8905644  595161404803347 3    793346 3      C-13-H3C(O)CH3
 1049976.5752  0.1478 -5.6073 3 1599.8905644  595161404803447 3    793446 3      C-13-H3C(O)CH3
 1049977.7191  0.0206 -5.3909 3  403.0615632  595161404392614 0    382117 0      C-13-H3C(O)CH3
 1049985.4117  0.1303 -4.6038 3  719.3721420  595161404523022 3    512923 3      C-13-H3C(O)CH3
 1049994.6317  0.1308 -4.6038 3  719.3721420  595161404523022 4    512923 4      C-13-H3C(O)CH3
 1050003.2575  0.1645 -5.2448 3 1599.8756C88  595161404803447 1    793346 1      C-13-H3C(O)CH3
 1050003.2575  0.1645 -5.2448 3 1599.8756C88  595161404803347 1    793446 1      C-13-H3C(O)CH3
 1050005.4734  0.1641 -5.7133 3 1599.8787C88  595161404803447 2    793346 2      C-13-H3C(O)CH3
 1050005.4734  0.1641 -5.3834 3 1599.8787C88  595161404803447 2    793446 2      C-13-H3C(O)CH3
 1050005.4734  0.1641 -5.3834 3 1599.8787C88  595161404803347 2    793346 2      C-13-H3C(O)CH3
 1050005.4734  0.1641 -5.7133 3 1599.8787C88  595161404803347 2    793446 2      C-13-H3C(O)CH3
 1050021.7711  0.0142 -4.4849 3  513.1563372  595161404461927 3    451828 3      C-13-H3C(O)CH3
 1050021.7722  0.0142 -4.4849 3  513.1563372  595161404462027 3    451728 3      C-13-H3C(O)CH3
 1050021.8359  0.0143 -4.4849 3  513.1562372  595161404461927 4    451828 4      C-13-H3C(O)CH3
 1050021.8370  0.0143 -4.4849 3  513.1562372  595161404462027 4    451728 4      C-13-H3C(O)CH3
 1050032.1256  0.1694 -5.2287 3 1599.8639C88  595161404803447 0    793446 0      C-13-H3C(O)CH3
 1050032.1256  0.1694 -5.2287 3 1599.8639C88  595161404803347 0    793346 0      C-13-H3C(O)CH3
 1050054.8045  0.1493 -4.3765 3  781.0411872  595161404543222 0    533123 0      C-13-H3C(O)CH3
 1050075.7792  0.0200 -5.3978 3  403.0392632  595161404392614 1    382117 1      C-13-H3C(O)CH3
 1050092.2561  0.0302 -5.2921 3  482.1805340  595161404423012 4    412714 4      C-13-H3C(O)CH3
 1050207.4287  0.0126 -4.6922 3  391.3357348  595161404431132 4    42 933 4      C-13-H3C(O)CH3
 1050207.4287  0.0126 -4.6922 3  391.3357348  595161404431232 4    421033 4      C-13-H3C(O)CH3
 1050207.9716  0.0123 -5.5028 3  391.3357348  595161404431132 3    421033 3      C-13-H3C(O)CH3
 1050207.9716  0.0123 -4.7640 3  391.3357348  595161404431232 3    421033 3      C-13-H3C(O)CH3
 1050207.9716  0.0123 -5.5028 3  391.3357348  595161404431232 3    42 933 3      C-13-H3C(O)CH3
 1050207.9716  0.0123 -4.7640 3  391.3357348  595161404431132 3    42 933 3      C-13-H3C(O)CH3
 1050233.7795  0.1924 -5.6854 3 1777.7404724  595161404902268 4    892267 4      C-13-H3C(O)CH3
 1050233.7795  0.1924 -5.6854 3 1777.7404724  595161404902368 4    892367 4      C-13-H3C(O)CH3
 1050233.7890  0.1924 -5.8968 3 1777.7404724  595161404902368 3    892267 3      C-13-H3C(O)CH3
 1050233.7890  0.1924 -5.7584 3 1777.7404724  595161404902368 3    892367 3      C-13-H3C(O)CH3
 1050243.5140  0.2526 -5.7636 3 1777.7178E48  595161404902268 1    892267 1      C-13-H3C(O)CH3
 1050243.5140  0.2526 -5.7636 3 1777.7178E48  595161404902368 1    892367 1      C-13-H3C(O)CH3
 1050243.5140  0.2526 -5.6188 3 1777.7178E48  595161404902268 1    892367 1      C-13-H3C(O)CH3
 1050243.5140  0.2526 -5.6188 3 1777.7178E48  595161404902368 1    892267 1      C-13-H3C(O)CH3
 1050249.8057  0.2544 -5.5063 3 1777.7210E48  595161404902368 2    892367 2      C-13-H3C(O)CH3
 1050249.8057  0.2544 -5.5063 3 1777.7210E48  595161404902268 2    892267 2      C-13-H3C(O)CH3
 1050259.5299  0.2395 -5.4097 3 1777.6984E48  595161404902268 0    892267 0      C-13-H3C(O)CH3
 1050259.5299  0.2395 -5.4097 3 1777.6984E48  595161404902368 0    892367 0      C-13-H3C(O)CH3
 1050301.2443  0.1343 -4.3030 3  719.3782840  595161404523022 2    512923 2      C-13-H3C(O)CH3
 1050325.0970  0.0123 -5.6174 3  391.3598696  595161404431132 2    42 933 2      C-13-H3C(O)CH3
 1050325.0970  0.0123 -4.4167 3  391.3598696  595161404431232 2    42 933 2      C-13-H3C(O)CH3
 1050325.0970  0.0123 -5.6174 3  391.3598696  595161404431232 2    421033 2      C-13-H3C(O)CH3
 1050325.0970  0.0123 -4.4167 3  391.3598696  595161404431132 2    421033 2      C-13-H3C(O)CH3
 1050328.7816  0.0126 -4.5350 3  391.3606696  595161404431132 1    42 933 1      C-13-H3C(O)CH3
 1050328.7816  0.0126 -4.9377 3  391.3606696  595161404431132 1    421033 1      C-13-H3C(O)CH3
 1050328.7816  0.0126 -4.5350 3  391.3606696  595161404431232 1    421033 1      C-13-H3C(O)CH3
 1050328.7816  0.0126 -4.9377 3  391.3606696  595161404431232 1    42 933 1      C-13-H3C(O)CH3
 1050395.9288  0.2162 -4.5970 3  956.3829952  595161404593921 2    583820 2      C-13-H3C(O)CH3
 1050399.7489  0.0765 -4.3029 3  719.3802840  595161404523022 1    512923 1      C-13-H3C(O)CH3
 1050400.6111  0.0232 -5.7513 3  403.0077316  595161404392614 4    382117 4      C-13-H3C(O)CH3
 1050422.5596  0.0227 -5.4262 3  403.0300632  595161404392614 2    382117 2      C-13-H3C(O)CH3
 1050445.7453  0.0105 -4.4121 3  391.3847696  595161404431132 0    421033 0      C-13-H3C(O)CH3
 1050445.7453  0.0105 -5.6979 3  391.3847696  595161404431132 0    42 933 0      C-13-H3C(O)CH3
 1050445.7453  0.0105 -5.6979 3  391.3847696  595161404431232 0    421033 0      C-13-H3C(O)CH3
 1050445.7453  0.0105 -4.4121 3  391.3847696  595161404431232 0    42 933 0      C-13-H3C(O)CH3
 1050493.8857  0.1519 -4.5237 3  956.3788952  595161404593921 1    583820 1      C-13-H3C(O)CH3
 1050538.5838  0.1536 -5.6924 3 1622.1107652  595161404813249 4    803248 4      C-13-H3C(O)CH3
 1050538.5838  0.1536 -5.5434 3 1622.1107652  595161404813349 4    803348 4      C-13-H3C(O)CH3
 1050538.6314  0.1537 -5.5996 3 1622.1107652  595161404813349 3    803248 3      C-13-H3C(O)CH3
 1050538.6314  0.1537 -5.5996 3 1622.1107652  595161404813249 3    803348 3      C-13-H3C(O)CH3
 1050565.0767  0.1728 -5.2795 3 1622.0954D04  595161404813349 1    803348 1      C-13-H3C(O)CH3
 1050565.0767  0.1728 -5.2795 3 1622.0954D04  595161404813249 1    803248 1      C-13-H3C(O)CH3
 1050567.9011  0.1722 -5.5221 3 1622.0986D04  595161404813249 2    803248 2      C-13-H3C(O)CH3
 1050567.9011  0.1722 -5.5221 3 1622.0986D04  595161404813349 2    803348 2      C-13-H3C(O)CH3
 1050567.9011  0.1722 -5.5563 3 1622.0986D04  595161404813249 2    803348 2      C-13-H3C(O)CH3
 1050567.9011  0.1722 -5.5563 3 1622.0986D04  595161404813349 2    803248 2      C-13-H3C(O)CH3
 1050594.3186  0.1772 -5.6733 3 1622.0834D04  595161404813349 0    803348 0      C-13-H3C(O)CH3
 1050594.3186  0.1772 -5.6733 3 1622.0834D04  595161404813249 0    803248 0      C-13-H3C(O)CH3
 1050594.3186  0.1772 -5.4363 3 1622.0834D04  595161404813249 0    803348 0      C-13-H3C(O)CH3
 1050594.3186  0.1772 -5.4363 3 1622.0834D04  595161404813349 0    803248 0      C-13-H3C(O)CH3
 1050619.8379  0.1168 -5.4334 3 1479.1510604  595161404753837 4    743936 4      C-13-H3C(O)CH3
 1050619.8920  0.1169 -5.4334 3 1479.1510604  595161404753837 3    743936 3      C-13-H3C(O)CH3
 1050623.1930  0.1166 -5.4334 3 1479.1509604  595161404753937 4    743836 4      C-13-H3C(O)CH3
 1050623.2521  0.1166 -5.4333 3 1479.1509604  595161404753937 3    743836 3      C-13-H3C(O)CH3
 1050636.2377  0.1258 -5.1323 3 1479.1412C08  595161404753837 2    743936 2      C-13-H3C(O)CH3
 1050639.1138  0.1261 -5.1323 3 1479.1376C08  595161404753837 1    743936 1      C-13-H3C(O)CH3
 1050639.1869  0.1257 -5.1323 3 1479.1411C08  595161404753937 2    743836 2      C-13-H3C(O)CH3
 1050642.4382  0.1262 -5.1323 3 1479.1375C08  595161404753937 1    743836 1      C-13-H3C(O)CH3
 1050655.3986  0.0260 -5.7034 3  403.0076316  595161404392614 3    382117 3      C-13-H3C(O)CH3
 1050655.4332  0.1313 -5.1323 3 1479.1278C08  595161404753837 0    743936 0      C-13-H3C(O)CH3
 1050658.3502  0.1316 -5.1323 3 1479.1277C08  595161404753937 0    743836 0      C-13-H3C(O)CH3
 1050707.4013  0.0829 -4.3031 3  719.3863840  595161404523022 0    512923 0      C-13-H3C(O)CH3
 1050710.7256  0.0343 -4.1638 3  956.3395952  595161404593921 0    583820 0      C-13-H3C(O)CH3
 1050958.8958  0.0257 -4.0703 3  910.1283444  5951614045547 9 4    5446 9 4      C-13-H3C(O)CH3
 1050960.0676  0.0642 -4.4789 3  956.4097476  595161404593921 3    583820 3      C-13-H3C(O)CH3
 1051019.3679  0.0223 -3.7693 3  910.1015888  5951614045547 9 2    5446 9 2      C-13-H3C(O)CH3
 1051035.2186  0.0197 -3.7692 3  910.1152888  5951614045547 8 1    5446 8 1      C-13-H3C(O)CH3
 1051051.5475  0.0278 -4.0704 3  910.1366444  5951614045547 8 3    5446 8 3      C-13-H3C(O)CH3
 1051054.6920  0.1776 -4.6444 3  749.9354428  595161404533122 3    523023 3      C-13-H3C(O)CH3
 1051068.0231  0.2119 -5.4838 3 1867.2267F76  595161404981385 0    971384 0      C-13-H3C(O)CH3
 1051068.0231  0.2119 -5.4838 3 1867.2267F76  595161404981485 0    971484 0      C-13-H3C(O)CH3
 1051068.1891  0.1772 -4.6445 3  749.9353428  595161404533122 4    523023 4      C-13-H3C(O)CH3
 1051086.1366  0.0280 -4.0703 3  910.1222444  5951614045547 9 3    5446 9 3      C-13-H3C(O)CH3
 1051091.1538  0.2126 -5.8838 3 1867.2457F76  595161404981485 1    971384 1      C-13-H3C(O)CH3
 1051091.1538  0.2126 -5.6607 3 1867.2457F76  595161404981485 1    971484 1      C-13-H3C(O)CH3
 1051091.1538  0.2126 -5.6607 3 1867.2457F76  595161404981385 1    971384 1      C-13-H3C(O)CH3
 1051091.1538  0.2126 -5.8838 3 1867.2457F76  595161404981385 1    971484 1      C-13-H3C(O)CH3
 1051093.3341  0.2215 -5.4700 3 1867.2461F76  595161404981485 2    971484 2      C-13-H3C(O)CH3
 1051093.3341  0.2215 -5.4700 3 1867.2461F76  595161404981385 2    971384 2      C-13-H3C(O)CH3
 1051095.9259  0.0184 -3.7692 3  910.0882888  5951614045547 8 0    5446 9 0      C-13-H3C(O)CH3
 1051095.9259  0.0184 -3.7692 3  910.0882888  5951614045547 9 0    5446 8 0      C-13-H3C(O)CH3
 1051112.5475  0.0238 -3.7693 3  910.1097888  5951614045547 8 2    5446 8 2      C-13-H3C(O)CH3
 1051116.4948  0.1902 -5.8314 3 1867.2652788  595161404981485 3    971484 3      C-13-H3C(O)CH3
 1051116.4948  0.1902 -5.8314 3 1867.2652788  595161404981385 3    971384 3      C-13-H3C(O)CH3
 1051162.9967  0.0220 -3.7692 3  910.1091888  5951614045547 9 1    5446 9 1      C-13-H3C(O)CH3
 1051179.2120  0.0337 -4.0703 3  910.1305444  5951614045547 8 4    5446 8 4      C-13-H3C(O)CH3
 1051206.0905  0.2251 -5.1014 3 1390.4535B60  595161404724132 0    714031 0      C-13-H3C(O)CH3
 1051206.4859  0.1595 -5.5828 3 1643.7339660  595161404823251 4    813150 4      C-13-H3C(O)CH3
 1051206.4859  0.1595 -5.5828 3 1643.7339660  595161404823151 4    813250 4      C-13-H3C(O)CH3
 1051206.5304  0.1595 -5.5646 3 1643.7339660  595161404823151 3    813250 3      C-13-H3C(O)CH3
 1051206.5304  0.1595 -5.5646 3 1643.7339660  595161404823251 3    813150 3      C-13-H3C(O)CH3
 1051206.7400  0.4749 -5.4957 3 1397.2720580  595161404724131 3    714230 3      C-13-H3C(O)CH3
 1051208.2536  0.4639 -5.4957 3 1397.2720580  595161404724131 4    714230 4      C-13-H3C(O)CH3
 1051232.4711  0.1814 -5.4259 3 1643.7182D20  595161404823151 1    813250 1      C-13-H3C(O)CH3
 1051232.4711  0.1814 -5.7558 3 1643.7182D20  595161404823151 1    813150 1      C-13-H3C(O)CH3
 1051232.4711  0.1814 -5.4259 3 1643.7182D20  595161404823251 1    813150 1      C-13-H3C(O)CH3
 1051232.4711  0.1814 -5.7558 3 1643.7182D20  595161404823251 1    813250 1      C-13-H3C(O)CH3
 1051235.8605  0.1805 -5.4887 3 1643.7215D20  595161404823151 2    813250 2      C-13-H3C(O)CH3
 1051235.8605  0.1805 -5.6459 3 1643.7215D20  595161404823151 2    813150 2      C-13-H3C(O)CH3
 1051235.8605  0.1805 -5.4887 3 1643.7215D20  595161404823251 2    813150 2      C-13-H3C(O)CH3
 1051235.8605  0.1805 -5.6459 3 1643.7215D20  595161404823251 2    813250 2      C-13-H3C(O)CH3
 1051261.7757  0.1850 -5.2599 3 1643.7058D20  595161404823251 0    813150 0      C-13-H3C(O)CH3
 1051261.7757  0.1850 -5.2599 3 1643.7058D20  595161404823151 0    813250 0      C-13-H3C(O)CH3
 1051265.3979  0.2099 -5.1015 3 1390.4633B60  595161404724132 2    714031 2      C-13-H3C(O)CH3
 1051312.9062  0.1961 -5.7035 3 1793.7308732  595161404912170 4    902169 4      C-13-H3C(O)CH3
 1051312.9062  0.1961 -5.7035 3 1793.7308732  595161404912270 4    902269 4      C-13-H3C(O)CH3
 1051312.9118  0.1961 -5.7344 3 1793.7308732  595161404912270 3    902169 3      C-13-H3C(O)CH3
 1051312.9118  0.1961 -5.7344 3 1793.7308732  595161404912170 3    902269 3      C-13-H3C(O)CH3
 1051319.8255  0.2600 -5.5075 3 1793.7075E64  595161404912170 1    902269 1      C-13-H3C(O)CH3
 1051319.8255  0.2600 -5.5075 3 1793.7075E64  595161404912270 1    902169 1      C-13-H3C(O)CH3
 1051326.0814  0.2631 -5.4457 3 1793.7105E64  595161404912170 2    902269 2      C-13-H3C(O)CH3
 1051326.0814  0.2631 -5.4592 3 1793.7105E64  595161404912270 2    902169 2      C-13-H3C(O)CH3
 1051327.8381  0.0423 -4.3630 3  956.3829952  595161404593920 2    583820 2      C-13-H3C(O)CH3
 1051329.4955  0.4362 -5.1942 3 1397.2603B60  595161404724131 1    714230 1      C-13-H3C(O)CH3
 1051332.9972  0.2449 -5.4241 3 1793.6872E64  595161404912270 0    902169 0      C-13-H3C(O)CH3
 1051332.9972  0.2449 -5.4241 3 1793.6872E64  595161404912170 0    902269 0      C-13-H3C(O)CH3
 1051333.7270  0.0382 -4.4125 3  956.3788952  595161404593920 1    583820 1      C-13-H3C(O)CH3
 1051358.3668  0.1943 -5.1016 3 1390.4556B60  595161404724132 1    714031 1      C-13-H3C(O)CH3
 1051412.3156  0.0427 -4.5315 3  956.4288476  595161404593920 4    583820 4      C-13-H3C(O)CH3
 1051418.7554  0.1400 -5.4027 3 1390.4654580  595161404724132 4    714031 4      C-13-H3C(O)CH3
 1051419.2978  0.1438 -5.4027 3 1390.4654580  595161404724132 3    714031 3      C-13-H3C(O)CH3
 1051463.0966  0.0236 -5.1012 3  482.0873680  595161404423013 1    412715 1      C-13-H3C(O)CH3
 1051522.6293  0.1841 -4.3440 3  749.9394856  595161404533122 2    523023 2      C-13-H3C(O)CH3
 1051546.0325  0.5543 -5.1934 3 1397.2632B60  595161404724131 2    714230 2      C-13-H3C(O)CH3
 1051595.5863  0.0239 -5.6915 3  381.1072584  5951614043632 5 2    3529 7 2      C-13-H3C(O)CH3
 1051627.7551  0.0296 -5.2933 3  482.0694340  595161404423013 4    412715 4      C-13-H3C(O)CH3
 1051633.7856  0.1080 -4.3440 3  749.9411856  595161404533122 1    523023 1      C-13-H3C(O)CH3
 1051665.5122  0.4589 -5.1930 3 1397.2515B60  595161404724131 0    714230 0      C-13-H3C(O)CH3
 1051678.3338  0.0215 -4.8899 3  482.1026680  595161404423012 0    412715 0      C-13-H3C(O)CH3
 1051701.3988  0.0252 -5.0429 3  482.0893680  595161404423013 2    412715 2      C-13-H3C(O)CH3
 1051713.5760  0.0254 -5.6898 3  381.0883584  5951614043632 5 1    3529 7 1      C-13-H3C(O)CH3
 1051715.6630  0.0155 -4.9402 3  346.8166340  59516140442 934 4    41 635 4      C-13-H3C(O)CH3
 1051715.6630  0.0155 -4.9402 3  346.8166340  59516140442 834 4    41 735 4      C-13-H3C(O)CH3
 1051715.6630  0.0155 -5.7714 3  346.8166340  59516140442 934 4    41 735 4      C-13-H3C(O)CH3
 1051715.6630  0.0155 -5.7714 3  346.8166340  59516140442 834 4    41 635 4      C-13-H3C(O)CH3
 1051716.3578  0.0146 -4.9121 3  346.8165340  59516140442 934 3    41 635 3      C-13-H3C(O)CH3
 1051716.3578  0.0146 -4.9121 3  346.8165340  59516140442 834 3    41 735 3      C-13-H3C(O)CH3
 1051810.7119  0.0329 -4.3618 3  956.3357952  595161404593921 2    583821 2      C-13-H3C(O)CH3
 1051817.4201  0.0339 -4.4112 3  956.3346952  595161404593921 1    583821 1      C-13-H3C(O)CH3
 1051900.6438  0.0244 -5.6890 3  381.1149584  5951614043632 4 2    3529 6 2      C-13-H3C(O)CH3
 1051916.4774  0.5482 -5.0489 3 1320.8042B28  595161404704130 0    694029 0      C-13-H3C(O)CH3
 1051957.5438  0.1651 -5.6516 3 1664.7712668  595161404833153 4    823052 4      C-13-H3C(O)CH3
 1051957.5438  0.1651 -5.6516 3 1664.7712668  595161404833053 4    823152 4      C-13-H3C(O)CH3
 1051957.5850  0.1651 -5.5823 3 1664.7711668  595161404833053 3    823152 3      C-13-H3C(O)CH3
 1051957.5850  0.1651 -5.5823 3 1664.7711668  595161404833153 3    823052 3      C-13-H3C(O)CH3
 1051966.1435  0.0364 -4.5296 3  956.3580476  595161404593921 4    583821 4      C-13-H3C(O)CH3
 1051968.3769  0.0244 -5.6936 3  381.1378584  5951614043632 5 0    3529 6 0      C-13-H3C(O)CH3
 1051968.3778  0.0244 -5.6936 3  381.1378584  5951614043632 4 0    3529 7 0      C-13-H3C(O)CH3
 1051982.7888  0.1902 -5.2854 3 1664.7549D36  595161404833053 1    823152 1      C-13-H3C(O)CH3
 1051982.7888  0.1902 -5.2854 3 1664.7549D36  595161404833153 1    823052 1      C-13-H3C(O)CH3
 1051986.7083  0.1891 -5.6948 3 1664.7583D36  595161404833153 2    823152 2      C-13-H3C(O)CH3
 1051986.7083  0.1891 -5.4922 3 1664.7583D36  595161404833153 2    823052 2      C-13-H3C(O)CH3
 1051986.7083  0.1891 -5.4922 3 1664.7583D36  595161404833053 2    823152 2      C-13-H3C(O)CH3
 1051986.7083  0.1891 -5.6948 3 1664.7583D36  595161404833053 2    823052 2      C-13-H3C(O)CH3
 1052011.8890  0.1928 -5.2817 3 1664.7421D36  595161404833053 0    823152 0      C-13-H3C(O)CH3
 1052011.8890  0.1928 -5.4500 3 1664.7421D36  595161404833153 0    823052 0      C-13-H3C(O)CH3
 1052011.8890  0.1928 -5.7718 3 1664.7421D36  595161404833153 0    823152 0      C-13-H3C(O)CH3
 1052037.0176  0.0130 -4.5876 3  346.8270680  59516140442 934 2    41 635 2      C-13-H3C(O)CH3
 1052037.0176  0.0130 -4.5876 3  346.8270680  59516140442 834 2    41 735 2      C-13-H3C(O)CH3
 1052040.1512  0.0136 -4.7522 3  346.8276680  59516140442 934 1    41 635 1      C-13-H3C(O)CH3
 1052040.1512  0.0136 -5.0623 3  346.8276680  59516140442 934 1    41 735 1      C-13-H3C(O)CH3
 1052040.1512  0.0136 -5.0623 3  346.8276680  59516140442 834 1    41 635 1      C-13-H3C(O)CH3
 1052040.1512  0.0136 -4.7522 3  346.8276680  59516140442 834 1    41 735 1      C-13-H3C(O)CH3
 1052092.4026  0.1166 -4.3445 3  749.9452856  595161404533122 0    523023 0      C-13-H3C(O)CH3
 1052105.6053  0.0320 -5.4349 3  482.0791340  595161404423013 3    412715 3      C-13-H3C(O)CH3
 1052199.7393  0.0339 -4.1627 3  956.3059952  595161404593920 0    583821 0      C-13-H3C(O)CH3
 1052218.9389  0.6166 -5.0490 3 1320.8062B28  595161404704130 2    694029 2      C-13-H3C(O)CH3
 1052230.5948  0.0304 -5.3015 3  482.0873680  595161404423012 1    412715 1      C-13-H3C(O)CH3
 1052276.7436  0.2021 -5.5179 3 1878.3729F92  595161404991387 0    981286 0      C-13-H3C(O)CH3
 1052276.7436  0.2021 -5.5179 3 1878.3729F92  595161404991287 0    981386 0      C-13-H3C(O)CH3
 1052304.2228  0.1994 -5.5676 3 1878.3893F92  595161404991387 1    981386 1      C-13-H3C(O)CH3
 1052304.2228  0.1994 -5.5676 3 1878.3893F92  595161404991287 1    981286 1      C-13-H3C(O)CH3
 1052305.7475  0.2054 -5.4983 3 1878.3894F92  595161404991387 2    981286 2      C-13-H3C(O)CH3
 1052305.7475  0.2054 -5.4983 3 1878.3894F92  595161404991287 2    981386 2      C-13-H3C(O)CH3
 1052327.6960  0.0246 -5.6905 3  381.1061584  5951614043632 4 1    3529 6 1      C-13-H3C(O)CH3
 1052333.2575  0.1872 -5.8785 3 1878.4058796  595161404991287 3    981386 3      C-13-H3C(O)CH3
 1052333.2575  0.1872 -5.8785 3 1878.4058796  595161404991387 3    981286 3      C-13-H3C(O)CH3
 1052333.2857  0.1873 -5.7689 3 1878.4058796  595161404991387 4    981286 4      C-13-H3C(O)CH3
 1052333.2857  0.1873 -5.7688 3 1878.4058796  595161404991287 4    981386 4      C-13-H3C(O)CH3
 1052360.2754  0.0123 -4.6277 3  346.8380680  59516140442 834 0    41 635 0      C-13-H3C(O)CH3
 1052360.2754  0.0123 -5.5518 3  346.8380680  59516140442 834 0    41 735 0      C-13-H3C(O)CH3
 1052360.2754  0.0123 -5.5518 3  346.8380680  59516140442 934 0    41 635 0      C-13-H3C(O)CH3
 1052360.2754  0.0123 -4.6277 3  346.8380680  59516140442 934 0    41 735 0      C-13-H3C(O)CH3
 1052365.1792  0.0446 -5.5560 3  482.0791340  595161404423012 3    412715 3      C-13-H3C(O)CH3
 1052398.2572  0.1105 -5.4287 3 1452.8062596  595161404743935 4    734034 4      C-13-H3C(O)CH3
 1052398.2721  0.1107 -5.4287 3 1452.8062596  595161404743935 3    734034 3      C-13-H3C(O)CH3
 1052408.2691  0.1177 -5.1276 3 1452.7975B92  595161404743935 2    734034 2      C-13-H3C(O)CH3
 1052408.5908  0.0253 -4.1365 3  918.6019452  595161404564512 4    554412 4      C-13-H3C(O)CH3
 1052411.0707  0.1994 -5.7300 3 1809.1802740  595161404922072 4    912071 4      C-13-H3C(O)CH3
 1052411.0707  0.1994 -5.7300 3 1809.1802740  595161404922172 4    912171 4      C-13-H3C(O)CH3
 1052411.0723  0.1994 -5.7211 3 1809.1801740  595161404922072 3    912171 3      C-13-H3C(O)CH3
 1052411.0723  0.1994 -5.7211 3 1809.1801740  595161404922172 3    912071 3      C-13-H3C(O)CH3
 1052411.4223  0.1176 -5.1276 3 1452.7934B92  595161404743935 1    734034 1      C-13-H3C(O)CH3
 1052414.8880  0.2659 -5.4608 3 1809.1562E80  595161404922172 1    912071 1      C-13-H3C(O)CH3
 1052414.8880  0.2659 -5.4608 3 1809.1562E80  595161404922072 1    912171 1      C-13-H3C(O)CH3
 1052418.0926  0.0702 -4.4779 3  956.3770476  595161404593920 3    583821 3      C-13-H3C(O)CH3
 1052421.0005  0.2704 -5.4270 3 1809.1591E80  595161404922172 2    912171 2      C-13-H3C(O)CH3
 1052421.0005  0.2704 -5.4270 3 1809.1591E80  595161404922072 2    912071 2      C-13-H3C(O)CH3
 1052421.3721  0.1223 -5.1276 3 1452.7847B92  595161404743935 0    734034 0      C-13-H3C(O)CH3
 1052424.8211  0.2493 -5.8190 3 1809.1352E80  595161404922172 0    912071 0      C-13-H3C(O)CH3
 1052424.8211  0.2493 -5.4654 3 1809.1352E80  595161404922072 0    912171 0      C-13-H3C(O)CH3
 1052424.8211  0.2493 -5.6390 3 1809.1352E80  595161404922072 0    912071 0      C-13-H3C(O)CH3
 1052456.9069  0.1330 -4.6259 3  944.9910476  595161404593722 3    583623 3      C-13-H3C(O)CH3
 1052487.8425  0.0227 -3.8353 3  918.5782904  595161404564512 2    554412 2      C-13-H3C(O)CH3
 1052489.1063  0.1064 -5.4286 3 1452.8039596  595161404744035 4    733934 4      C-13-H3C(O)CH3
 1052489.1872  0.1064 -5.4286 3 1452.8038596  595161404744035 3    733934 3      C-13-H3C(O)CH3
 1052491.6498  0.1169 -5.1275 3 1452.7953B92  595161404744035 2    733934 2      C-13-H3C(O)CH3
 1052493.7134  0.4872 -5.0489 3 1320.7934B28  595161404704130 1    694029 1      C-13-H3C(O)CH3
 1052500.8333  0.1195 -5.1275 3 1452.7911B92  595161404744035 1    733934 1      C-13-H3C(O)CH3
 1052503.3404  0.1263 -5.1275 3 1452.7826B92  595161404744035 0    733934 0      C-13-H3C(O)CH3
 1052523.4246  0.0176 -3.8352 3  918.5809904  595161404564512 1    554412 1      C-13-H3C(O)CH3
 1052539.5733  0.0243 -4.1364 3  918.6176452  595161404564511 3    554411 3      C-13-H3C(O)CH3
 1052540.7853  0.0265 -4.1364 3  918.6041452  595161404564512 3    554412 3      C-13-H3C(O)CH3
 1052596.4807  0.0247 -5.2713 3  301.6628332  59516140441 636 4    40 337 4      C-13-H3C(O)CH3
 1052596.4807  0.0247 -5.2713 3  301.6628332  59516140441 536 4    40 437 4      C-13-H3C(O)CH3
 1052596.8725  0.0230 -5.7092 3  301.6628332  59516140441 536 3    40 437 3      C-13-H3C(O)CH3
 1052596.8725  0.0230 -5.3944 3  301.6628332  59516140441 536 3    40 337 3      C-13-H3C(O)CH3
 1052596.8725  0.0230 -5.3944 3  301.6628332  59516140441 636 3    40 437 3      C-13-H3C(O)CH3
 1052596.8725  0.0230 -5.7092 3  301.6628332  59516140441 636 3    40 337 3      C-13-H3C(O)CH3
 1052602.6206  0.0158 -3.8351 3  918.5571904  595161404564511 0    554412 0      C-13-H3C(O)CH3
 1052602.6206  0.0158 -3.8351 3  918.5571904  595161404564512 0    554411 0      C-13-H3C(O)CH3
 1052618.7649  0.1160 -4.3290 3  944.9734952  595161404593722 2    583623 2      C-13-H3C(O)CH3
 1052619.0820  0.1006 -4.3289 3  944.9733952  595161404593722 1    583623 1      C-13-H3C(O)CH3
 1052619.0967  0.0197 -3.8353 3  918.5938904  595161404564511 2    554411 2      C-13-H3C(O)CH3
 1052625.9424  0.1050 -4.6336 3  944.9888476  595161404593722 4    583623 4      C-13-H3C(O)CH3
 1052655.6151  0.0172 -3.8352 3  918.5830904 -595161404564511 1    554411 1      C-13-H3C(O)CH3
 1052657.2614  0.1647 -4.5223 3  956.3346952  595161404593920 1    583821 1      C-13-H3C(O)CH3
 1052672.2881  0.0264 -4.1364 3  918.6197452  595161404564511 4    554411 4      C-13-H3C(O)CH3
 1052702.9792  0.1023 -4.3294 3  944.9569952  595161404593722 0    583623 0      C-13-H3C(O)CH3
 1052728.8241  0.0459 -5.4193 3  482.0893680  595161404423012 2    412715 2      C-13-H3C(O)CH3
 1052742.6213  0.2348 -4.5955 3  956.3357952  595161404593920 2    583821 2      C-13-H3C(O)CH3
 1052775.2192  0.1707 -5.6943 3 1685.2313676  595161404843055 4    832954 4      C-13-H3C(O)CH3
 1052775.2192  0.1707 -5.6943 3 1685.2313676  595161404842955 4    833054 4      C-13-H3C(O)CH3
 1052775.2569  0.1707 -5.7443 3 1685.2313676  595161404843055 3    833054 3      C-13-H3C(O)CH3
 1052775.2569  0.1707 -5.7443 3 1685.2313676  595161404842955 3    832954 3      C-13-H3C(O)CH3
 1052799.2657  0.4823 -5.3501 3 1320.7954564  595161404704130 4    694029 4      C-13-H3C(O)CH3
 1052799.5110  0.1992 -5.3040 3 1685.2145D52  595161404842955 1    833054 1      C-13-H3C(O)CH3
 1052799.5110  0.1992 -5.3040 3 1685.2145D52  595161404843055 1    832954 1      C-13-H3C(O)CH3
 1052801.1985  0.4930 -5.3501 3 1320.7954564  595161404704130 3    694029 3      C-13-H3C(O)CH3
 1052803.9283  0.1980 -5.3045 3 1685.2179D52  595161404843055 2    832954 2      C-13-H3C(O)CH3
 1052803.9283  0.1980 -5.3045 3 1685.2179D52  595161404842955 2    833054 2      C-13-H3C(O)CH3
 1052828.1617  0.2007 -5.3543 3 1685.2011D52  595161404842955 0    832954 0      C-13-H3C(O)CH3
 1052828.1617  0.2007 -5.3543 3 1685.2011D52  595161404843055 0    833054 0      C-13-H3C(O)CH3
 1053145.7428  0.0563 -3.6670 3  908.4147856  5951614045352 1 1    5251 1 1      C-13-H3C(O)CH3
 1053148.0336  0.0674 -3.9682 3  908.4697428  5951614045352 1 4    5251 1 4      C-13-H3C(O)CH3
 1053230.7303  0.0205 -4.9324 3  301.6451664  59516140441 536 2    40 437 2      C-13-H3C(O)CH3
 1053230.7303  0.0205 -4.9324 3  301.6451664  59516140441 636 2    40 337 2      C-13-H3C(O)CH3
 1053232.7223  0.0226 -4.9575 3  301.6455664  59516140441 536 1    40 437 1      C-13-H3C(O)CH3
 1053232.7223  0.0226 -4.9575 3  301.6455664  59516140441 636 1    40 337 1      C-13-H3C(O)CH3
 1053259.7581  0.0550 -3.6668 3  908.3538856  5951614045352 2 0    5251 2 0      C-13-H3C(O)CH3
 1053259.7581  0.0550 -3.6668 3  908.3538856  5951614045352 1 0    5251 1 0      C-13-H3C(O)CH3
 1053261.9461  0.0558 -3.6669 3  908.4086856  5951614045352 1 2    5251 1 2      C-13-H3C(O)CH3
 1053304.0661  0.0695 -3.9680 3  908.4332428  5951614045352 2 3    5251 2 3      C-13-H3C(O)CH3
 1053380.3482  0.0646 -3.6668 3  908.4049856  5951614045352 2 1    5251 2 1      C-13-H3C(O)CH3
 1053383.1217  0.0663 -3.9680 3  908.4598428  5951614045352 1 3    5251 1 3      C-13-H3C(O)CH3
 1053383.1250  0.0261 -4.2167 3  928.9579460  595161404574315 4    564215 4      C-13-H3C(O)CH3
 1053417.4634  0.0712 -3.6667 3  908.3723856  5951614045352 2 2    5251 2 2      C-13-H3C(O)CH3
 1053425.0104  0.0579 -5.8675 3  482.0694340  595161404423012 4    412715 4      C-13-H3C(O)CH3
 1053472.2553  0.0221 -3.9154 3  928.9271920  595161404574315 2    564215 2      C-13-H3C(O)CH3
 1053480.7530  0.0264 -4.3188 3  941.4250468  595161404584117 4    574017 4      C-13-H3C(O)CH3
 1053500.5379  0.1929 -5.4973 3 1888.9928G08  595161404A01189 0    991188 0      C-13-H3C(O)CH3
 1053500.5379  0.1929 -5.4973 3 1888.9928G08  595161404A01289 0    991288 0      C-13-H3C(O)CH3
 1053507.7445  0.0174 -3.9153 3  928.9206920  595161404574315 1    564215 1      C-13-H3C(O)CH3
 1053526.9365  0.2024 -5.8024 3 1824.0906748  595161404931974 3    921973 3      C-13-H3C(O)CH3
 1053526.9365  0.2024 -5.8024 3 1824.0906748  595161404932074 3    922073 3      C-13-H3C(O)CH3
 1053526.9386  0.2024 -5.7372 3 1824.0906748  595161404932074 4    921973 4      C-13-H3C(O)CH3
 1053526.9386  0.2024 -5.7372 3 1824.0906748  595161404931974 4    922073 4      C-13-H3C(O)CH3
 1053527.3620  0.2698 -5.6798 3 1824.0662E96  595161404931974 1    922073 1      C-13-H3C(O)CH3
 1053527.3620  0.2698 -5.8009 3 1824.0662E96  595161404931974 1    921973 1      C-13-H3C(O)CH3
 1053527.3620  0.2698 -5.6798 3 1824.0662E96  595161404932074 1    921973 1      C-13-H3C(O)CH3
 1053527.3620  0.2698 -5.8009 3 1824.0662E96  595161404932074 1    922073 1      C-13-H3C(O)CH3
 1053531.6372  0.1895 -5.5053 3 1889.0056G08  595161404A01289 1    991288 1      C-13-H3C(O)CH3
 1053531.6372  0.1895 -5.5053 3 1889.0056G08  595161404A01189 1    991188 1      C-13-H3C(O)CH3
 1053532.5767  0.1909 -5.4777 3 1889.0055G08  595161404A01289 2    991188 2      C-13-H3C(O)CH3
 1053532.5767  0.1909 -5.4777 3 1889.0055G08  595161404A01189 2    991288 2      C-13-H3C(O)CH3
 1053532.7290  0.3561 -5.3057 3  956.3580476  595161404593920 4    583821 4      C-13-H3C(O)CH3
 1053533.2182  0.2759 -5.4545 3 1824.0687E96  595161404932074 2    922073 2      C-13-H3C(O)CH3
 1053533.2182  0.2759 -5.4545 3 1824.0687E96  595161404931974 2    921973 2      C-13-H3C(O)CH3
 1053533.6520  0.2523 -5.6513 3 1824.0444E96  595161404931974 0    922073 0      C-13-H3C(O)CH3
 1053533.6520  0.2523 -5.8416 3 1824.0444E96  595161404931974 0    921973 0      C-13-H3C(O)CH3
 1053533.6520  0.2523 -5.8416 3 1824.0444E96  595161404932074 0    922073 0      C-13-H3C(O)CH3
 1053533.6520  0.2523 -5.6513 3 1824.0444E96  595161404932074 0    921973 0      C-13-H3C(O)CH3
 1053538.4871  0.0890 -3.9678 3  908.4234428  5951614045352 2 4    5251 2 4      C-13-H3C(O)CH3
 1053543.4491  0.0269 -4.2166 3  928.9609460  595161404574315 3    564215 3      C-13-H3C(O)CH3
 1053544.8197  0.0216 -4.0175 3  941.3819936  595161404584117 2    574017 2      C-13-H3C(O)CH3
 1053562.9272  0.0244 -4.2164 3  928.9667460  595161404574314 3    564214 3      C-13-H3C(O)CH3
 1053563.7056  0.1835 -5.8237 3 1889.0182804  595161404A01189 3    991188 3      C-13-H3C(O)CH3
 1053563.7056  0.1835 -5.8237 3 1889.0182804  595161404A01289 3    991288 3      C-13-H3C(O)CH3
 1053563.7375  0.1835 -5.8935 3 1889.0182804  595161404A01189 4    991288 4      C-13-H3C(O)CH3
 1053570.9618  0.0213 -4.0176 3  941.3728936  595161404584117 1    574017 1      C-13-H3C(O)CH3
 1053597.0469  0.0130 -3.9150 3  928.8899920 -595161404574315 0    564214 0      C-13-H3C(O)CH3
 1053597.0469  0.0130 -3.9150 3  928.8899920 -595161404574314 0    564215 0      C-13-H3C(O)CH3
 1053632.2119  0.0172 -4.0170 3  941.3298936 -595161404584118 0    574017 0      C-13-H3C(O)CH3
 1053638.0464  0.0172 -4.0170 3  941.3297936  595161404584117 0    574018 0      C-13-H3C(O)CH3
 1053647.2269  0.1760 -5.6282 3 1705.1215684  595161404852957 4    842856 4      C-13-H3C(O)CH3
 1053647.2269  0.1760 -5.6282 3 1705.1215684  595161404852857 4    842956 4      C-13-H3C(O)CH3
 1053647.2612  0.1760 -5.7878 3 1705.1215684  595161404852857 3    842856 3      C-13-H3C(O)CH3
 1053647.2612  0.1760 -5.7878 3 1705.1215684  595161404852957 3    842956 3      C-13-H3C(O)CH3
 1053652.0902  0.0201 -3.9152 3  928.9360920  595161404574314 2    564214 2      C-13-H3C(O)CH3
 1053668.0172  0.0174 -3.9152 3  928.9237920  595161404574314 1    564214 1      C-13-H3C(O)CH3
 1053670.3610  0.2086 -5.4073 3 1705.1040D68  595161404852957 1    842856 1      C-13-H3C(O)CH3
 1053670.3610  0.2086 -5.4073 3 1705.1040D68  595161404852857 1    842956 1      C-13-H3C(O)CH3
 1053670.6273  0.0285 -4.3193 3  941.4171468  595161404584117 3    574017 3      C-13-H3C(O)CH3
 1053675.2423  0.2073 -5.3613 3 1705.1075D68  595161404852857 2    842956 2      C-13-H3C(O)CH3
 1053675.2423  0.2073 -5.3613 3 1705.1075D68  595161404852957 2    842856 2      C-13-H3C(O)CH3
 1053696.2248  0.0292 -4.3192 3  941.4148468  595161404584118 3    574018 3      C-13-H3C(O)CH3
 1053698.3240  0.2085 -5.3410 3 1705.0901D68  595161404852857 0    842956 0      C-13-H3C(O)CH3
 1053698.3240  0.2085 -5.3410 3 1705.0901D68  595161404852957 0    842856 0      C-13-H3C(O)CH3
 1053723.5262  0.0275 -4.2163 3  928.9697460  595161404574314 4    564214 4      C-13-H3C(O)CH3
 1053760.3819  0.0227 -4.0169 3  941.3718936  595161404584118 2    574018 2      C-13-H3C(O)CH3
 1053760.8948  0.0203 -4.0172 3  941.3649936  595161404584118 1    574018 1      C-13-H3C(O)CH3
 1053865.3345  0.0192 -5.7438 3  301.6279664  59516140441 536 0    40 337 0      C-13-H3C(O)CH3
 1053865.3345  0.0192 -4.9909 3  301.6279664  59516140441 636 0    40 337 0      C-13-H3C(O)CH3
 1053865.3345  0.0192 -4.9909 3  301.6279664  59516140441 536 0    40 437 0      C-13-H3C(O)CH3
 1053865.3345  0.0192 -5.7438 3  301.6279664  59516140441 636 0    40 437 0      C-13-H3C(O)CH3
 1053886.1587  0.0342 -4.3178 3  941.4069468  595161404584118 4    574018 4      C-13-H3C(O)CH3
 1054071.9093  0.0610 -5.8325 3  255.8332648  59516140440 238 2    39 139 2      C-13-H3C(O)CH3
 1054071.9093  0.0610 -5.8325 3  255.8332648  59516140440 338 2    39 039 2      C-13-H3C(O)CH3
 1054072.9590  0.0640 -5.8187 3  255.8336648  59516140440 238 1    39 039 1      C-13-H3C(O)CH3
 1054072.9590  0.0640 -5.8187 3  255.8336648  59516140440 338 1    39 139 1      C-13-H3C(O)CH3
 1054478.5764  0.0088 -4.3365 3  470.1968728  595161404451729 0    441430 0      C-13-H3C(O)CH3
 1054478.5764  0.0088 -4.9082 3  470.1968728  595161404451729 0    441530 0      C-13-H3C(O)CH3
 1054478.5764  0.0088 -4.3365 3  470.1968728  595161404451629 0    441530 0      C-13-H3C(O)CH3
 1054478.5764  0.0088 -4.9080 3  470.1968728  595161404451629 0    441430 0      C-13-H3C(O)CH3
 1054538.8022  0.0115 -5.0431 3  470.1675728  595161404451729 2    441530 2      C-13-H3C(O)CH3
 1054538.8022  0.0115 -4.3062 3  470.1675728  595161404451629 2    441530 2      C-13-H3C(O)CH3
 1054538.8022  0.0115 -5.0431 3  470.1675728  595161404451629 2    441430 2      C-13-H3C(O)CH3
 1054538.8022  0.0115 -4.3062 3  470.1675728  595161404451729 2    441430 2      C-13-H3C(O)CH3
 1054541.9124  0.0112 -5.8729 3  470.1686728  595161404451729 1    441530 1      C-13-H3C(O)CH3
 1054541.9124  0.0112 -4.2381 3  470.1686728  595161404451729 1    441430 1      C-13-H3C(O)CH3
 1054541.9124  0.0112 -4.2431 3  470.1686728  595161404451629 1    441530 1      C-13-H3C(O)CH3
 1054564.3012  0.1812 -5.6586 3 1724.4478692  595161404862859 4    852858 4      C-13-H3C(O)CH3
 1054564.3012  0.1812 -5.6586 3 1724.4478692  595161404862759 4    852758 4      C-13-H3C(O)CH3
 1054564.3317  0.1812 -5.7007 3 1724.4477692  595161404862859 3    852858 3      C-13-H3C(O)CH3
 1054564.3317  0.1812 -5.7007 3 1724.4477692  595161404862759 3    852758 3      C-13-H3C(O)CH3
 1054569.0085  0.0112 -4.1759 3  548.2255760  595161404472126 0    462027 0      C-13-H3C(O)CH3
 1054569.0501  0.0112 -4.1759 3  548.2255760  595161404472226 0    461927 0      C-13-H3C(O)CH3
 1054586.0732  0.2182 -5.3452 3 1724.4296D84  595161404862759 1    852858 1      C-13-H3C(O)CH3
 1054586.0732  0.2182 -5.3452 3 1724.4296D84  595161404862859 1    852758 1      C-13-H3C(O)CH3
 1054591.3800  0.2170 -5.8824 3 1724.4331D84  595161404862759 2    852758 2      C-13-H3C(O)CH3
 1054591.3800  0.2170 -5.4932 3 1724.4331D84  595161404862759 2    852858 2      C-13-H3C(O)CH3
 1054591.3800  0.2170 -5.8824 3 1724.4331D84  595161404862859 2    852858 2      C-13-H3C(O)CH3
 1054591.3800  0.2170 -5.4932 3 1724.4331D84  595161404862859 2    852758 2      C-13-H3C(O)CH3
 1054602.1356  0.0128 -4.5347 3  470.1392364  595161404451629 4    441530 4      C-13-H3C(O)CH3
 1054602.1357  0.0128 -4.5347 3  470.1392364  595161404451729 4    441430 4      C-13-H3C(O)CH3
 1054602.2571  0.0129 -4.5544 3  470.1392364  595161404451629 3    441530 3      C-13-H3C(O)CH3
 1054602.2571  0.0129 -5.8693 3  470.1392364  595161404451629 3    441430 3      C-13-H3C(O)CH3
 1054602.2571  0.0129 -5.8693 3  470.1392364  595161404451729 3    441530 3      C-13-H3C(O)CH3
 1054602.2571  0.0129 -4.5544 3  470.1392364  595161404451729 3    441430 3      C-13-H3C(O)CH3
 1054613.1058  0.2162 -5.4109 3 1724.4150D84  595161404862759 0    852758 0      C-13-H3C(O)CH3
 1054613.1058  0.2162 -5.4109 3 1724.4150D84  595161404862859 0    852858 0      C-13-H3C(O)CH3
 1054656.2163  0.2712 -5.5284 3 1838.4391F12  595161404941976 1    931875 1      C-13-H3C(O)CH3
 1054656.2163  0.2712 -5.5284 3 1838.4391F12  595161404941876 1    931975 1      C-13-H3C(O)CH3
 1054658.4620  0.2536 -5.5855 3 1838.4168F12  595161404941876 0    931875 0      C-13-H3C(O)CH3
 1054658.4620  0.2536 -5.5855 3 1838.4168F12  595161404941976 0    931975 0      C-13-H3C(O)CH3
 1054659.4689  0.2048 -5.7548 3 1838.4638756  595161404941876 3    931875 3      C-13-H3C(O)CH3
 1054659.4689  0.2048 -5.7548 3 1838.4638756  595161404941976 3    931975 3      C-13-H3C(O)CH3
 1054659.4747  0.2048 -5.7573 3 1838.4638756  595161404941876 4    931875 4      C-13-H3C(O)CH3
 1054659.4747  0.2048 -5.7573 3 1838.4638756  595161404941976 4    931975 4      C-13-H3C(O)CH3
 1054661.7030  0.2789 -5.4528 3 1838.4414F12  595161404941876 2    931875 2      C-13-H3C(O)CH3
 1054661.7030  0.2789 -5.4528 3 1838.4414F12  595161404941976 2    931975 2      C-13-H3C(O)CH3
 1054681.5172  0.0153 -4.1757 3  548.2027760  595161404472126 2    462027 2      C-13-H3C(O)CH3
 1054681.5640  0.0153 -4.1757 3  548.2027760  595161404472226 2    461927 2      C-13-H3C(O)CH3
 1054684.6294  0.0120 -4.1756 3  548.2041760  595161404472126 1    462027 1      C-13-H3C(O)CH3
 1054684.6751  0.0120 -4.1756 3  548.2041760  595161404472226 1    461927 1      C-13-H3C(O)CH3
 1054797.3361  0.0166 -4.4763 3  548.1812380  595161404472126 3    462027 3      C-13-H3C(O)CH3
 1054797.3876  0.0166 -4.4763 3  548.1812380  595161404472226 3    461927 3      C-13-H3C(O)CH3
 1054797.4945  0.0167 -4.4763 3  548.1812380  595161404472126 4    462027 4      C-13-H3C(O)CH3
 1054797.5456  0.0167 -4.4763 3  548.1812380  595161404472226 4    461927 4      C-13-H3C(O)CH3
 1055049.2331  0.1304 -5.4379 3 1425.5370588  595161404734033 3    724132 3      C-13-H3C(O)CH3
 1055049.4891  0.1289 -5.4379 3 1425.5370588  595161404734033 4    724132 4      C-13-H3C(O)CH3
 1055062.0175  0.1202 -5.1368 3 1425.5252B76  595161404734033 1    724132 1      C-13-H3C(O)CH3
 1055083.3027  0.1335 -5.1366 3 1425.5297B76  595161404734033 2    724132 2      C-13-H3C(O)CH3
 1055095.5922  0.1186 -5.1366 3 1425.5180B76  595161404734033 0    724132 0      C-13-H3C(O)CH3
 1055168.9161  0.0587 -5.8452 3  255.7659648  59516140440 238 0    39 139 0      C-13-H3C(O)CH3
 1055168.9161  0.0587 -5.8452 3  255.7659648  59516140440 338 0    39 039 0      C-13-H3C(O)CH3
 1055179.8199  0.0410 -4.0135 3  913.0902436  5951614045450 4 4    5349 4 4      C-13-H3C(O)CH3
 1055197.5622  0.0331 -3.7124 3  913.0645872  5951614045450 4 1    5349 4 1      C-13-H3C(O)CH3
 1055248.3168  0.0333 -3.7123 3  913.0458872  5951614045450 4 2    5349 4 2      C-13-H3C(O)CH3
 1055266.6201  0.0313 -3.7123 3  913.0200872  5951614045450 5 0    5349 4 0      C-13-H3C(O)CH3
 1055266.6201  0.0313 -3.7123 3  913.0200872  5951614045450 4 0    5349 5 0      C-13-H3C(O)CH3
 1055273.7244  0.0435 -4.0134 3  913.0739436  5951614045450 5 3    5349 5 3      C-13-H3C(O)CH3
 1055342.4174  0.0413 -3.7123 3  913.0295872  5951614045450 5 2    5349 5 2      C-13-H3C(O)CH3
 1055350.6994  0.0423 -4.0133 3  913.0764436  5951614045450 4 3    5349 4 3      C-13-H3C(O)CH3
 1055368.7119  0.0386 -3.7123 3  913.0507872  5951614045450 5 1    5349 5 1      C-13-H3C(O)CH3
 1055444.2598  0.0559 -4.0133 3  913.0600436  5951614045450 5 4    5349 5 4      C-13-H3C(O)CH3
 1055519.3663  0.1862 -5.6803 3 1743.2151700  595161404872761 4    862760 4      C-13-H3C(O)CH3
 1055519.3663  0.1862 -5.6722 3 1743.2151700  595161404872661 4    862660 4      C-13-H3C(O)CH3
 1055519.3932  0.1862 -5.6932 3 1743.2151700  595161404872661 3    862660 3      C-13-H3C(O)CH3
 1055519.3932  0.1862 -5.6932 3 1743.2151700  595161404872761 3    862760 3      C-13-H3C(O)CH3
 1055539.5666  0.2280 -5.3660 3 1743.1962E00  595161404872761 1    862660 1      C-13-H3C(O)CH3
 1055539.5666  0.2280 -5.3660 3 1743.1962E00  595161404872661 1    862760 1      C-13-H3C(O)CH3
 1055545.2527  0.2270 -5.4716 3 1743.1998E00  595161404872761 2    862760 2      C-13-H3C(O)CH3
 1055545.2527  0.2270 -5.4716 3 1743.1998E00  595161404872661 2    862660 2      C-13-H3C(O)CH3
 1055565.4130  0.2240 -5.3781 3 1743.1809E00  595161404872761 0    862660 0      C-13-H3C(O)CH3
 1055565.4130  0.2240 -5.3781 3 1743.1809E00  595161404872661 0    862760 0      C-13-H3C(O)CH3
 1055798.4968  0.2530 -5.6202 3 1852.2541F28  595161404951778 0    941777 0      C-13-H3C(O)CH3
 1055798.4968  0.2530 -5.6202 3 1852.2541F28  595161404951878 0    941877 0      C-13-H3C(O)CH3
 1055800.6726  0.2695 -5.6046 3 1852.2769F28  595161404951778 1    941777 1      C-13-H3C(O)CH3
 1055800.6726  0.2695 -5.6046 3 1852.2769F28  595161404951878 1    941877 1      C-13-H3C(O)CH3
 1055805.6816  0.2787 -5.5816 3 1852.2788F28  595161404951878 2    941777 2      C-13-H3C(O)CH3
 1055805.6816  0.2787 -5.5816 3 1852.2788F28  595161404951778 2    941877 2      C-13-H3C(O)CH3
 1055807.8819  0.2066 -5.8020 3 1852.3016764  595161404951878 4    941877 4      C-13-H3C(O)CH3
 1055807.8819  0.2066 -5.8020 3 1852.3016764  595161404951778 4    941777 4      C-13-H3C(O)CH3
 1056019.3949  0.0239 -5.1338 3  502.7300696  595161404433014 1    422716 1      C-13-H3C(O)CH3
 1056077.1138  0.0314 -5.3513 3  502.7149348  595161404433014 4    422716 4      C-13-H3C(O)CH3
 1056200.1923  0.0279 -5.0948 3  502.7309696  595161404433014 2    422716 2      C-13-H3C(O)CH3
 1056245.9652  0.0214 -4.8379 3  502.7436696  595161404433013 0    422716 0      C-13-H3C(O)CH3
 1056436.1478  0.0555 -4.7185 3  596.5574760  595161404473117 0    462818 0      C-13-H3C(O)CH3
 1056503.5186  0.0339 -4.2586 3  689.3351824  595161404513022 0    502723 0      C-13-H3C(O)CH3
 1056506.9665  0.1910 -5.7021 3 1761.4279708  595161404882663 4    872662 4      C-13-H3C(O)CH3
 1056506.9665  0.1910 -5.7021 3 1761.4279708  595161404882563 4    872562 4      C-13-H3C(O)CH3
 1056506.9895  0.1911 -5.7530 3 1761.4278708  595161404882563 3    872662 3      C-13-H3C(O)CH3
 1056506.9895  0.1911 -5.7530 3 1761.4278708  595161404882663 3    872562 3      C-13-H3C(O)CH3
 1056525.3753  0.2380 -5.5860 3 1761.4081E16  595161404882563 1    872562 1      C-13-H3C(O)CH3
 1056525.3753  0.2380 -5.8175 3 1761.4081E16  595161404882563 1    872662 1      C-13-H3C(O)CH3
 1056525.3753  0.2380 -5.8175 3 1761.4081E16  595161404882663 1    872562 1      C-13-H3C(O)CH3
 1056525.3753  0.2380 -5.5860 3 1761.4081E16  595161404882663 1    872662 1      C-13-H3C(O)CH3
 1056531.3849  0.2374 -5.4858 3 1761.4117E16  595161404882663 2    872662 2      C-13-H3C(O)CH3
 1056531.3849  0.2374 -5.4858 3 1761.4117E16  595161404882563 2    872562 2      C-13-H3C(O)CH3
 1056549.7600  0.2316 -5.6787 3 1761.3920E16  595161404882663 0    872662 0      C-13-H3C(O)CH3
 1056549.7600  0.2316 -5.6943 3 1761.3920E16  595161404882663 0    872562 0      C-13-H3C(O)CH3
 1056549.7600  0.2316 -5.6943 3 1761.3920E16  595161404882563 0    872662 0      C-13-H3C(O)CH3
 1056549.7600  0.2316 -5.6787 3 1761.3920E16  595161404882563 0    872562 0      C-13-H3C(O)CH3
 1056625.3881  0.0348 -4.2586 3  689.3260824  595161404513022 1    502723 1      C-13-H3C(O)CH3
 1056635.6404  0.0342 -4.2588 3  689.3235824  595161404513022 2    502723 2      C-13-H3C(O)CH3
 1056756.1451  0.0342 -4.5599 3  689.3144412  595161404513022 4    502723 4      C-13-H3C(O)CH3
 1056763.7923  0.0335 -4.5598 3  689.3143412  595161404513022 3    502723 3      C-13-H3C(O)CH3
 1056774.5726  0.0366 -5.5020 3  502.7194348  595161404433014 3    422716 3      C-13-H3C(O)CH3
 1056816.0301  0.1616 -5.1348 3 1425.4753B76  595161404734133 0    724032 0      C-13-H3C(O)CH3
 1056833.0035  0.1373 -5.1349 3 1425.4863B76  595161404734133 2    724032 2      C-13-H3C(O)CH3
 1056856.8667  0.0310 -5.1426 3  502.7300696  595161404433013 1    422716 1      C-13-H3C(O)CH3
 1056881.9473  0.1413 -5.1350 3 1425.4802B76  595161404734133 1    724032 1      C-13-H3C(O)CH3
 1056899.3067  0.0953 -5.4360 3 1425.4912588  595161404734133 4    724032 4      C-13-H3C(O)CH3
 1056899.5946  0.0964 -5.4360 3 1425.4912588  595161404734133 3    724032 3      C-13-H3C(O)CH3
 1056953.2409  0.2500 -5.5344 3 1865.5582F44  595161404961680 0    951679 0      C-13-H3C(O)CH3
 1056953.2409  0.2500 -5.4811 3 1865.5582F44  595161404961680 0    951779 0      C-13-H3C(O)CH3
 1056960.1634  0.2643 -5.5721 3 1865.5810F44  595161404961780 1    951679 1      C-13-H3C(O)CH3
 1056960.1634  0.2643 -5.5721 3 1865.5810F44  595161404961680 1    951779 1      C-13-H3C(O)CH3
 1056964.5982  0.2748 -5.5282 3 1865.5826F44  595161404961780 2    951779 2      C-13-H3C(O)CH3
 1056964.5982  0.2748 -5.5282 3 1865.5826F44  595161404961680 2    951679 2      C-13-H3C(O)CH3
 1056971.5525  0.2076 -5.8952 3 1865.6054772  595161404961780 4    951679 4      C-13-H3C(O)CH3
 1056971.5525  0.2076 -5.8952 3 1865.6054772  595161404961680 4    951779 4      C-13-H3C(O)CH3
 1056985.6601  0.0474 -4.7628 3  596.5369760  595161404473117 1    462818 1      C-13-H3C(O)CH3
 1057015.7159  0.0287 -4.0662 3  919.3004444  5951614045548 8 4    5447 7 4      C-13-H3C(O)CH3
 1057077.3657  0.0244 -3.7651 3  919.2708888  5951614045548 8 2    5447 8 2      C-13-H3C(O)CH3
 1057078.8972  0.0226 -3.7651 3  919.2876888  5951614045548 7 1    5447 7 1      C-13-H3C(O)CH3
 1057100.3729  0.0315 -4.0662 3  919.3045444  5951614045548 7 3    5447 7 3      C-13-H3C(O)CH3
 1057125.8886  0.0461 -5.3853 3  502.7194348  595161404433013 3    422716 3      C-13-H3C(O)CH3
 1057140.9368  0.0212 -3.7650 3  919.2578888  5951614045548 8 0    5447 7 0      C-13-H3C(O)CH3
 1057140.9368  0.0212 -3.7650 3  919.2578888  5951614045548 7 0    5447 8 0      C-13-H3C(O)CH3
 1057148.0257  0.0311 -4.0661 3  919.2927444  5951614045548 8 3    5447 8 3      C-13-H3C(O)CH3
 1057162.5585  0.0281 -3.7651 3  919.2748888  5951614045548 7 2    5447 7 2      C-13-H3C(O)CH3
 1057211.7705  0.0263 -3.7650 3  919.2798888  5951614045548 8 1    5447 8 1      C-13-H3C(O)CH3
 1057232.9327  0.0395 -4.0661 3  919.2968444  5951614045548 7 4    5447 8 4      C-13-H3C(O)CH3
 1057381.4667  0.0454 -5.1895 3  502.7309696  595161404433013 2    422716 2      C-13-H3C(O)CH3
 1057400.6168  0.0820 -4.7938 3  596.5250760  595161404473117 2    462818 2      C-13-H3C(O)CH3
 1057522.8632  0.1957 -5.7330 3 1779.0896716  595161404892565 4    882464 4      C-13-H3C(O)CH3
 1057522.8632  0.1957 -5.7330 3 1779.0896716  595161404892465 4    882564 4      C-13-H3C(O)CH3
 1057522.8823  0.1957 -5.7387 3 1779.0896716  595161404892565 3    882564 3      C-13-H3C(O)CH3
 1057522.8823  0.1957 -5.7387 3 1779.0896716  595161404892465 3    882464 3      C-13-H3C(O)CH3
 1057539.2471  0.2479 -5.8650 3 1779.0690E32  595161404892465 1    882464 1      C-13-H3C(O)CH3
 1057539.2471  0.2479 -5.5902 3 1779.0690E32  595161404892465 1    882564 1      C-13-H3C(O)CH3
 1057539.2471  0.2479 -5.4524 3 1779.0690E32  595161404892565 1    882464 1      C-13-H3C(O)CH3
 1057545.5131  0.2479 -5.7140 3 1779.0726E32  595161404892465 2    882464 2      C-13-H3C(O)CH3
 1057545.5131  0.2479 -5.5380 3 1779.0726E32  595161404892565 2    882564 2      C-13-H3C(O)CH3
 1057545.5131  0.2479 -5.6985 3 1779.0726E32  595161404892465 2    882564 2      C-13-H3C(O)CH3
 1057561.8699  0.2391 -5.4655 3 1779.0520E32  595161404892565 0    882464 0      C-13-H3C(O)CH3
 1057561.8699  0.2391 -5.4655 3 1779.0520E32  595161404892465 0    882564 0      C-13-H3C(O)CH3
 1057649.6826  0.0125 -4.6364 3  426.3669356  595161404441431 4    431232 4      C-13-H3C(O)CH3
 1057649.6826  0.0125 -4.6364 3  426.3669356  595161404441331 4    431132 4      C-13-H3C(O)CH3
 1057650.0507  0.0125 -4.6167 3  426.3669356  595161404441431 3    431232 3      C-13-H3C(O)CH3
 1057650.0507  0.0125 -4.6167 3  426.3669356  595161404441331 3    431132 3      C-13-H3C(O)CH3
 1057663.8662  0.0748 -5.1572 3  596.5050380  595161404473117 4    462818 4      C-13-H3C(O)CH3
 1057672.3668  0.0119 -4.5288 3  426.3949712  595161404441331 2    431132 2      C-13-H3C(O)CH3
 1057672.3668  0.0119 -4.7275 3  426.3949712  595161404441431 2    431132 2      C-13-H3C(O)CH3
 1057672.3668  0.0119 -4.5288 3  426.3949712  595161404441431 2    431232 2      C-13-H3C(O)CH3
 1057672.3668  0.0119 -4.7275 3  426.3949712  595161404441331 2    431232 2      C-13-H3C(O)CH3
 1057675.8383  0.0121 -4.6668 3  426.3958712  595161404441331 1    431232 1      C-13-H3C(O)CH3
 1057675.8383  0.0121 -4.5721 3  426.3958712  595161404441331 1    431132 1      C-13-H3C(O)CH3
 1057675.8383  0.0121 -4.6271 3  426.3958712  595161404441431 1    431232 1      C-13-H3C(O)CH3
 1057675.8383  0.0121 -4.6069 3  426.3958712  595161404441431 1    431132 1      C-13-H3C(O)CH3
 1057698.1459  0.0094 -4.4567 3  426.4238712  595161404441431 0    431232 0      C-13-H3C(O)CH3
 1057698.1459  0.0094 -4.3240 3  426.4238712  595161404441331 0    431232 0      C-13-H3C(O)CH3
 1057698.1459  0.0094 -4.8739 3  426.4238712  595161404441431 0    431132 0      C-13-H3C(O)CH3
 1057956.2216  0.0243 -4.2152 3  654.0455808  595161404502723 0    492624 0      C-13-H3C(O)CH3
 1057979.6803  0.0402 -4.2151 3  654.0331808  595161404502723 2    492624 2      C-13-H3C(O)CH3
 1057999.0560  0.0245 -4.2150 3  654.0350808  595161404502723 1    492624 1      C-13-H3C(O)CH3
 1058021.5331  0.0415 -4.5159 3  654.0225404  595161404502723 3    492624 3      C-13-H3C(O)CH3
 1058022.5807  0.0419 -4.5159 3  654.0225404  595161404502723 4    492624 4      C-13-H3C(O)CH3
 1058073.4705  0.0132 -4.1780 3  583.4022776  595161404482325 0    472226 0      C-13-H3C(O)CH3
 1058075.0761  0.0132 -4.1780 3  583.4022776  595161404482425 0    472126 0      C-13-H3C(O)CH3
 1058092.6054  0.0561 -5.5514 3  502.7149348  595161404433013 4    422716 4      C-13-H3C(O)CH3
 1058122.3946  0.2447 -5.5361 3 1878.3306F60  595161404971582 0    961681 0      C-13-H3C(O)CH3
 1058122.3946  0.2447 -5.5361 3 1878.3306F60  595161404971682 0    961581 0      C-13-H3C(O)CH3
 1058134.2997  0.2556 -5.5127 3 1878.3530F60  595161404971582 1    961581 1      C-13-H3C(O)CH3
 1058134.2997  0.2556 -5.5127 3 1878.3530F60  595161404971682 1    961681 1      C-13-H3C(O)CH3
 1058138.0834  0.2669 -5.5057 3 1878.3542F60  595161404971582 2    961681 2      C-13-H3C(O)CH3
 1058138.0834  0.2669 -5.5057 3 1878.3542F60  595161404971682 2    961581 2      C-13-H3C(O)CH3
 1058150.0118  0.2077 -5.8921 3 1878.3767780  595161404971582 3    961581 3      C-13-H3C(O)CH3
 1058150.0118  0.2077 -5.8215 3 1878.3767780  595161404971682 3    961681 3      C-13-H3C(O)CH3
 1058150.0276  0.2077 -5.8740 3 1878.3767780  595161404971582 4    961581 4      C-13-H3C(O)CH3
 1058150.0276  0.2077 -5.8740 3 1878.3767780  595161404971682 4    961681 4      C-13-H3C(O)CH3
 1058182.4937  0.0193 -4.1778 3  583.3831776  595161404482325 2    472226 2      C-13-H3C(O)CH3
 1058184.2494  0.0193 -4.1778 3  583.3831776  595161404482425 2    472126 2      C-13-H3C(O)CH3
 1058186.6057  0.0137 -4.1777 3  583.3846776  595161404482325 1    472226 1      C-13-H3C(O)CH3
 1058188.3292  0.0137 -4.1777 3  583.3846776  595161404482425 1    472126 1      C-13-H3C(O)CH3
 1058295.8184  0.0206 -4.4785 3  583.3655388  595161404482325 3    472226 3      C-13-H3C(O)CH3
 1058296.0401  0.0208 -4.4785 3  583.3654388  595161404482325 4    472226 4      C-13-H3C(O)CH3
 1058297.7038  0.0206 -4.4785 3  583.3655388  595161404482425 3    472126 3      C-13-H3C(O)CH3
 1058297.9166  0.0208 -4.4785 3  583.3654388  595161404482425 4    472126 4      C-13-H3C(O)CH3
 1058322.0729  0.0234 -5.5043 3  428.6246316  5951614043931 9 3    382810 3      C-13-H3C(O)CH3
 1058377.2250  0.1381 -5.5114 3 1564.4876628  595161404783642 4    773741 4      C-13-H3C(O)CH3
 1058377.2256  0.1381 -5.5114 3 1564.4876628  595161404783742 4    773641 4      C-13-H3C(O)CH3
 1058377.2851  0.1381 -5.5114 3 1564.4876628  595161404783642 3    773741 3      C-13-H3C(O)CH3
 1058377.2857  0.1381 -5.5114 3 1564.4876628  595161404783742 3    773641 3      C-13-H3C(O)CH3
 1058394.2228  0.0205 -5.2059 3  428.6222632  5951614043931 9 1    382811 1      C-13-H3C(O)CH3
 1058404.8188  0.1500 -5.2105 3 1564.4775C56  595161404783642 2    773741 2      C-13-H3C(O)CH3
 1058404.8192  0.1500 -5.2105 3 1564.4775C56  595161404783742 2    773641 2      C-13-H3C(O)CH3
 1058404.8675  0.1504 -5.2103 3 1564.4744C56  595161404783642 1    773741 1      C-13-H3C(O)CH3
 1058404.8682  0.1504 -5.2103 3 1564.4744C56  595161404783742 1    773641 1      C-13-H3C(O)CH3
 1058418.4013  0.0949 -5.0322 3  596.5042380  595161404473117 3    462818 3      C-13-H3C(O)CH3
 1058425.5204  0.0241 -5.5066 3  428.6024316  5951614043931 9 4    382811 4      C-13-H3C(O)CH3
 1058432.3635  0.1567 -5.2103 3 1564.4643C56  595161404783642 0    773741 0      C-13-H3C(O)CH3
 1058432.3640  0.1567 -5.2103 3 1564.4643C56  595161404783742 0    773641 0      C-13-H3C(O)CH3
 1058452.7358  0.1444 -5.5305 3 1588.6005636  595161404793544 4    783643 4      C-13-H3C(O)CH3
 1058452.7358  0.1444 -5.5305 3 1588.6005636  595161404793644 4    783543 4      C-13-H3C(O)CH3
 1058452.7936  0.1444 -5.5305 3 1588.6005636  595161404793644 3    783543 3      C-13-H3C(O)CH3
 1058452.7936  0.1444 -5.5305 3 1588.6005636  595161404793544 3    783643 3      C-13-H3C(O)CH3
 1058481.1837  0.1582 -5.2294 3 1588.5871C72  595161404793544 1    783643 1      C-13-H3C(O)CH3
 1058481.1837  0.1582 -5.2294 3 1588.5871C72  595161404793644 1    783543 1      C-13-H3C(O)CH3
 1058482.0107  0.1577 -5.2298 3 1588.5902C72  595161404793544 2    783643 2      C-13-H3C(O)CH3
 1058482.0108  0.1577 -5.2298 3 1588.5902C72  595161404793644 2    783543 2      C-13-H3C(O)CH3
 1058482.8826  0.0209 -5.2056 3  428.6563632  5951614043931 8 2    382810 2      C-13-H3C(O)CH3
 1058510.3642  0.1645 -5.2296 3 1588.5768C72  595161404793644 0    783543 0      C-13-H3C(O)CH3
 1058510.3642  0.1645 -5.2296 3 1588.5768C72  595161404793544 0    783643 0      C-13-H3C(O)CH3
 1058557.0701  0.0198 -5.2083 3  428.6538632  5951614043931 9 0    382810 0      C-13-H3C(O)CH3
 1058561.7557  0.0198 -5.2083 3  428.6536632  5951614043931 8 0    382811 0      C-13-H3C(O)CH3
 1058563.7465  0.2003 -5.7277 3 1796.2035724  595161404902367 4    892366 4      C-13-H3C(O)CH3
 1058563.7465  0.2003 -5.7277 3 1796.2035724  595161404902467 4    892466 4      C-13-H3C(O)CH3
 1058563.7616  0.2003 -5.7360 3 1796.2035724  595161404902467 3    892466 3      C-13-H3C(O)CH3
 1058563.7616  0.2003 -5.7360 3 1796.2035724  595161404902367 3    892366 3      C-13-H3C(O)CH3
 1058577.8563  0.2577 -5.5957 3 1796.1821E48  595161404902367 1    892466 1      C-13-H3C(O)CH3
 1058577.8563  0.2577 -5.5957 3 1796.1821E48  595161404902467 1    892366 1      C-13-H3C(O)CH3
 1058584.2994  0.2585 -5.6023 3 1796.1856E48  595161404902367 2    892466 2      C-13-H3C(O)CH3
 1058584.2994  0.2585 -5.8978 3 1796.1856E48  595161404902467 2    892466 2      C-13-H3C(O)CH3
 1058584.2994  0.2585 -5.8978 3 1796.1856E48  595161404902367 2    892366 2      C-13-H3C(O)CH3
 1058584.2994  0.2585 -5.6023 3 1796.1856E48  595161404902467 2    892366 2      C-13-H3C(O)CH3
 1058587.5783  0.0259 -4.1282 3  927.1998452  595161404564611 4    554511 4      C-13-H3C(O)CH3
 1058589.2388  0.0201 -5.2080 3  428.6342632  5951614043931 9 2    382811 2      C-13-H3C(O)CH3
 1058598.3887  0.2463 -5.5785 3 1796.1642E48  595161404902367 0    892466 0      C-13-H3C(O)CH3
 1058598.3887  0.2463 -5.5785 3 1796.1642E48  595161404902467 0    892366 0      C-13-H3C(O)CH3
 1058620.4725  0.1317 -5.4943 3 1539.7002620  595161404773740 4    763839 4      C-13-H3C(O)CH3
 1058620.4986  0.1317 -5.4943 3 1539.7002620  595161404773840 4    763739 4      C-13-H3C(O)CH3
 1058620.5341  0.1317 -5.4943 3 1539.7002620  595161404773740 3    763839 3      C-13-H3C(O)CH3
 1058620.5602  0.1317 -5.4943 3 1539.7002620  595161404773840 3    763739 3      C-13-H3C(O)CH3
 1058626.7631  0.0268 -5.5042 3  428.6401316  5951614043931 8 4    382810 4      C-13-H3C(O)CH3
 1058645.4063  0.1423 -5.1933 3 1539.6904C40  595161404773740 2    763839 2      C-13-H3C(O)CH3
 1058645.4273  0.1423 -5.1933 3 1539.6904C40  595161404773840 2    763739 2      C-13-H3C(O)CH3
 1058646.5636  0.1428 -5.1933 3 1539.6871C40  595161404773740 1    763839 1      C-13-H3C(O)CH3
 1058646.5904  0.1428 -5.1933 3 1539.6871C40  595161404773840 1    763739 1      C-13-H3C(O)CH3
 1058665.3101  0.0236 -3.8271 3  927.1770904  595161404564611 2    554511 2      C-13-H3C(O)CH3
 1058671.3986  0.1489 -5.1933 3 1539.6774C40  595161404773740 0    763839 0      C-13-H3C(O)CH3
 1058671.4202  0.1490 -5.1933 3 1539.6774C40  595161404773840 0    763739 0      C-13-H3C(O)CH3
 1058695.2767  0.0192 -3.8270 3  927.1838904  595161404564611 1    554511 1      C-13-H3C(O)CH3
 1058699.1301  0.0214 -5.2059 3  428.6377632  5951614043931 8 1    382810 1      C-13-H3C(O)CH3
 1058701.1750  0.0264 -4.1282 3  927.2158452  595161404564610 3    554510 3      C-13-H3C(O)CH3
 1058714.0161  0.0279 -4.1282 3  927.2011452  595161404564611 3    554511 3      C-13-H3C(O)CH3
 1058733.4815  0.0240 -5.5066 3  428.6180316  5951614043931 8 3    382811 3      C-13-H3C(O)CH3
 1058754.5929  0.1507 -5.5509 3 1612.0687644  595161404803546 4    793545 4      C-13-H3C(O)CH3
 1058754.5929  0.1507 -5.5510 3 1612.0687644  595161404803446 4    793445 4      C-13-H3C(O)CH3
 1058754.6480  0.1507 -5.6067 3 1612.0687644  595161404803546 3    793445 3      C-13-H3C(O)CH3
 1058754.6480  0.1507 -5.5911 3 1612.0687644  595161404803446 3    793545 3      C-13-H3C(O)CH3
 1058773.0567  0.0177 -3.8269 3  927.1609904  595161404564610 0    554511 0      C-13-H3C(O)CH3
 1058773.0567  0.0177 -3.8269 3  927.1609904  595161404564611 0    554510 0      C-13-H3C(O)CH3
 1058779.3019  0.0221 -3.8271 3  927.1929904  595161404564610 2    554510 2      C-13-H3C(O)CH3
 1058783.3470  0.1662 -5.2504 3 1612.0550C88  595161404803546 1    793445 1      C-13-H3C(O)CH3
 1058783.3470  0.1662 -5.2502 3 1612.0550C88  595161404803446 1    793545 1      C-13-H3C(O)CH3
 1058784.9164  0.1656 -5.5555 3 1612.0581C88  595161404803546 2    793545 2      C-13-H3C(O)CH3
 1058784.9164  0.1656 -5.5555 3 1612.0581C88  595161404803446 2    793445 2      C-13-H3C(O)CH3
 1058784.9164  0.1656 -5.5464 3 1612.0581C88  595161404803446 2    793545 2      C-13-H3C(O)CH3
 1058784.9164  0.1656 -5.5464 3 1612.0581C88  595161404803546 2    793445 2      C-13-H3C(O)CH3
 1058813.5805  0.1723 -5.2563 3 1612.0445C88  595161404803446 0    793545 0      C-13-H3C(O)CH3
 1058813.5805  0.1723 -5.2511 3 1612.0445C88  595161404803546 0    793445 0      C-13-H3C(O)CH3
 1058822.0808  0.0198 -3.8270 3  927.1851904  595161404564610 1    554510 1      C-13-H3C(O)CH3
 1058826.3671  0.0225 -4.2148 3  654.0441808  595161404502823 0    492524 0      C-13-H3C(O)CH3
 1058828.1346  0.0302 -4.1282 3  927.2171452  595161404564610 4    554510 4      C-13-H3C(O)CH3
 1058829.5495  0.2238 -5.7283 3  962.6800952  595161404594020 2    583919 2      C-13-H3C(O)CH3
 1058893.9547  0.0336 -4.2146 3  654.0316808  595161404502823 2    492524 2      C-13-H3C(O)CH3
 1058903.0749  0.0237 -4.2145 3  654.0334808  595161404502823 1    492524 1      C-13-H3C(O)CH3
 1058904.7752  0.0571 -5.7409 3  596.5369760  595161404473116 1    462818 1      C-13-H3C(O)CH3
 1058954.4945  0.1786 -5.5438 3  962.6735952  595161404594020 1    583919 1      C-13-H3C(O)CH3
 1058970.9544  0.0356 -4.5154 3  654.0209404  595161404502823 4    492524 4      C-13-H3C(O)CH3
 1058971.6411  0.0352 -4.5154 3  654.0209404  595161404502823 3    492524 3      C-13-H3C(O)CH3
 1059029.3897  0.0854 -3.9707 3  918.8971428  5951614045353 0 4    5252 0 4      C-13-H3C(O)CH3
 1059039.1204  0.0719 -3.6696 3  918.8294856  5951614045353 1 1    5252 0 1      C-13-H3C(O)CH3
 1059176.4646  0.0712 -3.6694 3  918.8329856  5951614045353 0 2    5252 0 2      C-13-H3C(O)CH3
 1059185.9404  0.0730 -3.6693 3  918.7654856  5951614045353 0 0    5252 1 0      C-13-H3C(O)CH3
 1059185.9404  0.0730 -3.6693 3  918.7654856  5951614045353 1 0    5252 0 0      C-13-H3C(O)CH3
 1059222.6645  0.0860 -3.9705 3  918.8581428  5951614045353 1 3    5252 1 3      C-13-H3C(O)CH3
 1059223.0443  0.1569 -5.5887 3 1634.9139652  595161404813348 4    803347 4      C-13-H3C(O)CH3
 1059223.0443  0.1569 -5.5887 3 1634.9139652  595161404813448 4    803447 4      C-13-H3C(O)CH3
 1059223.0965  0.1569 -5.8377 3 1634.9139652  595161404813448 3    803447 3      C-13-H3C(O)CH3
 1059223.0965  0.1569 -5.8377 3 1634.9139652  595161404813348 3    803347 3      C-13-H3C(O)CH3
 1059251.7431  0.1744 -5.6082 3 1634.8999D04  595161404813348 1    803447 1      C-13-H3C(O)CH3
 1059251.7431  0.1744 -5.5390 3 1634.8999D04  595161404813448 1    803447 1      C-13-H3C(O)CH3
 1059251.7431  0.1744 -5.5390 3 1634.8999D04  595161404813348 1    803347 1      C-13-H3C(O)CH3
 1059251.7431  0.1744 -5.6082 3 1634.8999D04  595161404813448 1    803347 1      C-13-H3C(O)CH3
 1059253.9734  0.1736 -5.2731 3 1634.9031D04  595161404813448 2    803447 2      C-13-H3C(O)CH3
 1059253.9734  0.1736 -5.2731 3 1634.9031D04  595161404813348 2    803347 2      C-13-H3C(O)CH3
 1059273.5581  0.0258 -4.1177 3  962.6269952  595161404594020 0    583919 0      C-13-H3C(O)CH3
 1059282.5873  0.1803 -5.5164 3 1634.8892D04  595161404813348 0    803447 0      C-13-H3C(O)CH3
 1059282.5873  0.1803 -5.5164 3 1634.8892D04  595161404813448 0    803347 0      C-13-H3C(O)CH3
 1059282.5873  0.1803 -5.6362 3 1634.8892D04  595161404813448 0    803447 0      C-13-H3C(O)CH3
 1059282.5873  0.1803 -5.6362 3 1634.8892D04  595161404813348 0    803347 0      C-13-H3C(O)CH3
 1059287.5408  0.0809 -3.9705 3  918.8946428  5951614045353 0 3    5252 0 3      C-13-H3C(O)CH3
 1059296.5305  0.0819 -3.6693 3  918.8269856  5951614045353 0 1    5252 1 1      C-13-H3C(O)CH3
 1059303.9700  0.0320 -4.4224 3  962.7287476  595161404594019 4    583919 4      C-13-H3C(O)CH3
 1059305.8606  0.2372 -5.5707 3 1890.5729F76  595161404981584 0    971583 0      C-13-H3C(O)CH3
 1059305.8606  0.2372 -5.5707 3 1890.5729F76  595161404981484 0    971483 0      C-13-H3C(O)CH3
 1059322.8476  0.2437 -5.6336 3 1890.5944F76  595161404981584 1    971583 1      C-13-H3C(O)CH3
 1059322.8476  0.2437 -5.6336 3 1890.5944F76  595161404981484 1    971483 1      C-13-H3C(O)CH3
 1059325.4238  0.0260 -4.1286 3  962.6800952  595161404594019 2    583919 2      C-13-H3C(O)CH3
 1059325.9308  0.2549 -5.7552 3 1890.5952F76  595161404981584 2    971583 2      C-13-H3C(O)CH3
 1059325.9308  0.2549 -5.8649 3 1890.5952F76  595161404981584 2    971483 2      C-13-H3C(O)CH3
 1059325.9308  0.2549 -5.8649 3 1890.5952F76  595161404981484 2    971583 2      C-13-H3C(O)CH3
 1059325.9308  0.2549 -5.7552 3 1890.5952F76  595161404981484 2    971483 2      C-13-H3C(O)CH3
 1059334.2046  0.1249 -5.4806 3 1514.1959612  595161404763838 4    753937 4      C-13-H3C(O)CH3
 1059334.2650  0.1250 -5.4806 3 1514.1959612  595161404763838 3    753937 3      C-13-H3C(O)CH3
 1059335.1578  0.1248 -5.4806 3 1514.1959612  595161404763938 4    753837 4      C-13-H3C(O)CH3
 1059335.2199  0.1249 -5.4806 3 1514.1959612  595161404763938 3    753837 3      C-13-H3C(O)CH3
 1059342.9446  0.2068 -5.8324 3 1890.6167788  595161404981484 3    971483 3      C-13-H3C(O)CH3
 1059342.9446  0.2068 -5.8324 3 1890.6167788  595161404981584 3    971583 3      C-13-H3C(O)CH3
 1059342.9637  0.2068 -5.8260 3 1890.6167788  595161404981484 4    971483 4      C-13-H3C(O)CH3
 1059342.9637  0.2068 -5.8709 3 1890.6167788  595161404981584 4    971583 4      C-13-H3C(O)CH3
 1059345.2562  0.0271 -4.1345 3  962.6735952  595161404594019 1    583919 1      C-13-H3C(O)CH3
 1059354.8590  0.1345 -5.1796 3 1514.1866C24  595161404763838 2    753937 2      C-13-H3C(O)CH3
 1059355.6805  0.1345 -5.1796 3 1514.1866C24  595161404763938 2    753837 2      C-13-H3C(O)CH3
 1059357.5211  0.1353 -5.1796 3 1514.1831C24  595161404763838 1    753937 1      C-13-H3C(O)CH3
 1059358.4751  0.1353 -5.1796 3 1514.1831C24  595161404763938 1    753837 1      C-13-H3C(O)CH3
 1059359.4031  0.2227 -4.8441 3  962.7101476  595161404594020 3    583919 3      C-13-H3C(O)CH3
 1059369.0213  0.0915 -3.6692 3  918.7941856  5951614045353 1 2    5252 1 2      C-13-H3C(O)CH3
 1059378.0818  0.1413 -5.1795 3 1514.1739C24  595161404763838 0    753937 0      C-13-H3C(O)CH3
 1059378.9025  0.1414 -5.1795 3 1514.1739C24  595161404763938 0    753837 0      C-13-H3C(O)CH3
 1059475.5336  0.0258 -4.1176 3  962.6223952  595161404594019 0    583920 0      C-13-H3C(O)CH3
 1059480.2912  0.1086 -3.9703 3  918.8556428  5951614045353 1 4    5252 1 4      C-13-H3C(O)CH3
 1059482.4428  0.0463 -4.6228 3  962.7101476  595161404594019 3    583919 3      C-13-H3C(O)CH3
 1059547.0064  0.0453 -4.6227 3  962.7038476  595161404594020 3    583920 3      C-13-H3C(O)CH3
 1059553.6715  0.0262 -4.1338 3  962.6536952 -595161404594020 1    583920 1      C-13-H3C(O)CH3
 1059554.8618  0.0275 -4.1279 3  962.6558952  595161404594020 2    583920 2      C-13-H3C(O)CH3
 1059598.8216  0.1121 -5.5324 3  596.5250760  595161404473116 2    462818 2      C-13-H3C(O)CH3
 1059627.0348  0.2046 -5.7742 3 1812.7724732  595161404912269 3    902268 3      C-13-H3C(O)CH3
 1059627.0348  0.2046 -5.7742 3 1812.7724732  595161404912369 3    902368 3      C-13-H3C(O)CH3
 1059638.5928  0.2669 -5.7412 3 1812.7501E64  595161404912369 1    902368 1      C-13-H3C(O)CH3
 1059638.5928  0.2669 -5.7412 3 1812.7501E64  595161404912269 1    902268 1      C-13-H3C(O)CH3
 1059638.5928  0.2669 -5.7467 3 1812.7501E64  595161404912369 1    902268 1      C-13-H3C(O)CH3
 1059638.5928  0.2669 -5.7467 3 1812.7501E64  595161404912269 1    902368 1      C-13-H3C(O)CH3
 1059645.1217  0.2688 -5.6665 3 1812.7536E64  595161404912369 2    902368 2      C-13-H3C(O)CH3
 1059645.1217  0.2688 -5.8382 3 1812.7536E64  595161404912369 2    902268 2      C-13-H3C(O)CH3
 1059645.1217  0.2688 -5.6665 3 1812.7536E64  595161404912269 2    902268 2      C-13-H3C(O)CH3
 1059645.1217  0.2688 -5.8382 3 1812.7536E64  595161404912269 2    902368 2      C-13-H3C(O)CH3
 1059656.6770  0.2530 -5.6113 3 1812.7313E64  595161404912269 0    902268 0      C-13-H3C(O)CH3
 1059656.6770  0.2530 -5.6113 3 1812.7313E64  595161404912369 0    902368 0      C-13-H3C(O)CH3
 1059665.0680  0.0135 -4.7537 3  381.8980348  595161404431033 4    42 834 4      C-13-H3C(O)CH3
 1059665.0680  0.0135 -4.7537 3  381.8980348  595161404431133 4    42 934 4      C-13-H3C(O)CH3
 1059665.6850  0.0130 -5.0076 3  381.8980348  595161404431033 3    42 934 3      C-13-H3C(O)CH3
 1059665.6850  0.0130 -5.1021 3  381.8980348  595161404431033 3    42 834 3      C-13-H3C(O)CH3
 1059665.6850  0.0130 -5.1021 3  381.8980348  595161404431133 3    42 934 3      C-13-H3C(O)CH3
 1059665.6850  0.0130 -5.0076 3  381.8980348  595161404431133 3    42 834 3      C-13-H3C(O)CH3
 1059670.0461  0.2265 -4.8439 3  962.7038476  595161404594019 3    583920 3      C-13-H3C(O)CH3
 1059715.9557  0.0166 -4.1905 3  618.6957792  595161404492524 0    482425 0      C-13-H3C(O)CH3
 1059725.6149  0.0393 -4.4209 3  962.6853476  595161404594020 4    583920 4      C-13-H3C(O)CH3
 1059760.5861  0.0166 -4.1905 3  618.6957792  595161404492624 0    482325 0      C-13-H3C(O)CH3
 1059762.8970  0.0274 -4.2025 3  936.9207460  595161404574414 4    564314 4      C-13-H3C(O)CH3
 1059804.1259  0.0260 -4.1903 3  618.6803792  595161404492524 2    482425 2      C-13-H3C(O)CH3
 1059811.4263  0.0172 -4.1902 3  618.6819792  595161404492524 1    482425 1      C-13-H3C(O)CH3
 1059817.6690  0.1631 -5.5954 3 1657.1529660  595161404823250 4    813249 4      C-13-H3C(O)CH3
 1059817.6690  0.1631 -5.5941 3 1657.1529660  595161404823350 4    813349 4      C-13-H3C(O)CH3
 1059817.7181  0.1631 -5.6720 3 1657.1529660  595161404823350 3    813249 3      C-13-H3C(O)CH3
 1059817.7181  0.1631 -5.6720 3 1657.1529660  595161404823250 3    813349 3      C-13-H3C(O)CH3
 1059826.3200  0.0145 -5.5244 3  371.7701616  595161404382316 0    371819 0      C-13-H3C(O)CH3
 1059836.9774  0.0130 -4.4727 3  381.9192696  595161404431033 2    42 934 2      C-13-H3C(O)CH3
 1059836.9774  0.0130 -4.4727 3  381.9192696  595161404431133 2    42 834 2      C-13-H3C(O)CH3
 1059836.9774  0.0130 -5.7454 3  381.9192696  595161404431133 2    42 934 2      C-13-H3C(O)CH3
 1059836.9774  0.0130 -5.7454 3  381.9192696  595161404431033 2    42 834 2      C-13-H3C(O)CH3
 1059840.3995  0.0132 -4.8738 3  381.9199696  595161404431133 1    42 934 1      C-13-H3C(O)CH3
 1059840.3995  0.0132 -4.8738 3  381.9199696  595161404431033 1    42 834 1      C-13-H3C(O)CH3
 1059840.3995  0.0132 -4.6556 3  381.9199696  595161404431033 1    42 934 1      C-13-H3C(O)CH3
 1059840.3995  0.0132 -4.6556 3  381.9199696  595161404431133 1    42 834 1      C-13-H3C(O)CH3
 1059846.0309  0.1829 -5.8689 3 1657.1385D20  595161404823250 1    813249 1      C-13-H3C(O)CH3
 1059846.0309  0.1829 -5.4270 3 1657.1385D20  595161404823250 1    813349 1      C-13-H3C(O)CH3
 1059846.0309  0.1829 -5.3012 3 1657.1385D20  595161404823350 1    813249 1      C-13-H3C(O)CH3
 1059848.8695  0.1819 -5.2932 3 1657.1418D20  595161404823350 2    813349 2      C-13-H3C(O)CH3
 1059848.8695  0.1819 -5.4888 3 1657.1418D20  595161404823250 2    813349 2      C-13-H3C(O)CH3
 1059848.8695  0.1819 -5.7332 3 1657.1418D20  595161404823250 2    813249 2      C-13-H3C(O)CH3
 1059851.8584  0.0255 -4.1903 3  618.6802792  595161404492624 2    482325 2      C-13-H3C(O)CH3
 1059857.2355  0.0240 -3.9013 3  936.8942920  595161404574414 2    564314 2      C-13-H3C(O)CH3
 1059858.4580  0.0173 -4.1902 3  618.6819792  595161404492624 1    482325 1      C-13-H3C(O)CH3
 1059877.1519  0.1882 -5.7336 3 1657.1274D20  595161404823350 0    813249 0      C-13-H3C(O)CH3
 1059877.1519  0.1882 -5.4885 3 1657.1274D20  595161404823250 0    813249 0      C-13-H3C(O)CH3
 1059877.1519  0.1882 -5.7336 3 1657.1274D20  595161404823250 0    813349 0      C-13-H3C(O)CH3
 1059877.1519  0.1882 -5.4885 3 1657.1274D20  595161404823350 0    813349 0      C-13-H3C(O)CH3
 1059893.1911  0.0181 -3.9012 3  936.8905920 -595161404574414 1    564314 1      C-13-H3C(O)CH3
 1059899.6609  0.0273 -4.4910 3  618.6665396  595161404492524 3    482425 3      C-13-H3C(O)CH3
 1059899.9711  0.0276 -4.4910 3  618.6664396  595161404492524 4    482425 4      C-13-H3C(O)CH3
 1059911.6876  0.0280 -4.2024 3  936.9263460  595161404574414 3    564314 3      C-13-H3C(O)CH3
 1059921.0592  0.0154 -5.5238 3  371.7415616  595161404382316 2    371819 2      C-13-H3C(O)CH3
 1059924.3281  0.0251 -4.2024 3  936.9352460  595161404574413 3    564313 3      C-13-H3C(O)CH3
 1059944.0655  0.1890 -5.5431 3  962.6536952  595161404594019 1    583920 1      C-13-H3C(O)CH3
 1059946.6074  0.0148 -5.5228 3  371.7454616  595161404382316 1    371819 1      C-13-H3C(O)CH3
 1059949.9778  0.0269 -4.4910 3  618.6664396  595161404492624 3    482325 3      C-13-H3C(O)CH3
 1059950.1408  0.0272 -4.4910 3  618.6664396  595161404492624 4    482325 4      C-13-H3C(O)CH3
 1059987.5675  0.0148 -3.9010 3  936.8640920 -595161404574413 0    564314 0      C-13-H3C(O)CH3
 1059987.5675  0.0148 -3.9010 3  936.8640920 -595161404574414 0    564313 0      C-13-H3C(O)CH3
 1060011.4385  0.0114 -4.8578 3  381.9410696  595161404431033 0    42 934 0      C-13-H3C(O)CH3
 1060011.4385  0.0114 -4.8578 3  381.9410696  595161404431133 0    42 834 0      C-13-H3C(O)CH3
 1060011.4385  0.0114 -4.6655 3  381.9410696  595161404431133 0    42 934 0      C-13-H3C(O)CH3
 1060011.4385  0.0114 -4.6655 3  381.9410696  595161404431033 0    42 834 0      C-13-H3C(O)CH3
 1060018.5478  0.0206 -3.9011 3  936.9086920 -595161404574413 2    564313 2      C-13-H3C(O)CH3
 1060037.6248  0.0156 -5.8230 3  371.7167308  595161404382316 4    371819 4      C-13-H3C(O)CH3
 1060041.9519  0.0177 -3.9011 3  936.8961920 -595161404574413 1    564313 1      C-13-H3C(O)CH3
 1060043.5307  0.0154 -5.8230 3  371.7168308  595161404382316 3    371819 3      C-13-H3C(O)CH3
 1060050.7361  0.2352 -5.7275 3  962.6558952  595161404594019 2    583920 2      C-13-H3C(O)CH3
 1060073.4999  0.0272 -4.2023 3  936.9408460  595161404574413 4    564313 4      C-13-H3C(O)CH3
 1060253.9140  0.0271 -4.2949 3  948.6556468  595161404584217 4    574116 4      C-13-H3C(O)CH3
 1060339.8428  0.0225 -3.9936 3  948.6174936  595161404584217 2    574116 2      C-13-H3C(O)CH3
 1060368.8432  0.0204 -3.9935 3  948.6086936  595161404584217 1    574116 1      C-13-H3C(O)CH3
 1060382.1758  0.0215 -4.7674 3  541.3832728  595161404452916 0    442619 0      C-13-H3C(O)CH3
 1060396.3548  0.3263 -4.6003 3 1077.0941A16  595161404633925 0    623824 0      C-13-H3C(O)CH3
 1060436.6009  0.0287 -4.2948 3  948.6547468  595161404584217 3    574117 3      C-13-H3C(O)CH3
 1060455.2701  0.0150 -3.9932 3  948.5705936 -595161404584217 0    574116 0      C-13-H3C(O)CH3
 1060455.2701  0.0150 -3.9932 3  948.5705936 -595161404584216 0    574117 0      C-13-H3C(O)CH3
 1060459.6666  0.0281 -4.2947 3  948.6550468  595161404584216 3    574116 3      C-13-H3C(O)CH3
 1060503.7376  0.2279 -5.6221 3 1902.2865F92  595161404991386 0    981385 0      C-13-H3C(O)CH3
 1060503.7376  0.2279 -5.6221 3 1902.2865F92  595161404991486 0    981485 0      C-13-H3C(O)CH3
 1060510.1650  0.1692 -5.6509 3 1678.7984668  595161404833252 4    823251 4      C-13-H3C(O)CH3
 1060510.1650  0.1692 -5.6509 3 1678.7984668  595161404833152 4    823151 4      C-13-H3C(O)CH3
 1060510.2109  0.1692 -5.8905 3 1678.7984668  595161404833152 3    823251 3      C-13-H3C(O)CH3
 1060510.2109  0.1692 -5.8905 3 1678.7984668  595161404833252 3    823151 3      C-13-H3C(O)CH3
 1060525.7104  0.2297 -5.8390 3 1902.3064F92  595161404991386 1    981485 1      C-13-H3C(O)CH3
 1060525.7104  0.2297 -5.8390 3 1902.3064F92  595161404991486 1    981385 1      C-13-H3C(O)CH3
 1060525.7104  0.2297 -5.7987 3 1902.3064F92  595161404991486 1    981485 1      C-13-H3C(O)CH3
 1060525.7104  0.2297 -5.7987 3 1902.3064F92  595161404991386 1    981385 1      C-13-H3C(O)CH3
 1060528.0783  0.2395 -5.6418 3 1902.3068F92  595161404991386 2    981385 2      C-13-H3C(O)CH3
 1060528.0783  0.2395 -5.6418 3 1902.3068F92  595161404991486 2    981485 2      C-13-H3C(O)CH3
 1060537.9555  0.1916 -5.6055 3 1678.7835D36  595161404833252 1    823151 1      C-13-H3C(O)CH3
 1060537.9555  0.1916 -5.8304 3 1678.7835D36  595161404833152 1    823251 1      C-13-H3C(O)CH3
 1060537.9555  0.1916 -5.4732 3 1678.7835D36  595161404833152 1    823151 1      C-13-H3C(O)CH3
 1060537.9555  0.1916 -5.6269 3 1678.7835D36  595161404833252 1    823251 1      C-13-H3C(O)CH3
 1060541.3652  0.1905 -5.3176 3 1678.7869D36  595161404833152 2    823251 2      C-13-H3C(O)CH3
 1060541.3652  0.1905 -5.3176 3 1678.7869D36  595161404833252 2    823151 2      C-13-H3C(O)CH3
 1060545.6552  0.0230 -3.9932 3  948.6169936  595161404584216 2    574117 2      C-13-H3C(O)CH3
 1060550.0806  0.2048 -5.8624 3 1902.3267796  595161404991486 3    981485 3      C-13-H3C(O)CH3
 1060550.0806  0.2048 -5.8624 3 1902.3267796  595161404991386 3    981385 3      C-13-H3C(O)CH3
 1060550.1032  0.2049 -5.8258 3 1902.3267796  595161404991486 4    981485 4      C-13-H3C(O)CH3
 1060550.1032  0.2049 -5.8258 3 1902.3267796  595161404991386 4    981385 4      C-13-H3C(O)CH3
 1060551.4793  0.0203 -3.9932 3  948.6078936  595161404584216 1    574117 1      C-13-H3C(O)CH3
 1060552.7785  0.0097 -4.2071 3  505.3705744  595161404461828 0    451729 0      C-13-H3C(O)CH3
 1060552.7786  0.0097 -4.2071 3  505.3705744  595161404461928 0    451629 0      C-13-H3C(O)CH3
 1060569.0818  0.1962 -5.3340 3 1678.7721D36  595161404833152 0    823251 0      C-13-H3C(O)CH3
 1060569.0818  0.1962 -5.3340 3 1678.7721D36  595161404833252 0    823151 0      C-13-H3C(O)CH3
 1060642.4590  0.0335 -4.2942 3  948.6542468  595161404584216 4    574117 4      C-13-H3C(O)CH3
 1060648.4946  0.0125 -4.2068 3  505.3431744  595161404461828 2    451729 2      C-13-H3C(O)CH3
 1060648.4947  0.0125 -4.2068 3  505.3431744  595161404461928 2    451629 2      C-13-H3C(O)CH3
 1060651.0599  0.0114 -4.2066 3  505.3443744  595161404461928 1    451629 1      C-13-H3C(O)CH3
 1060651.0599  0.0114 -4.2066 3  505.3443744  595161404461828 1    451729 1      C-13-H3C(O)CH3
 1060698.6403  0.0225 -4.7697 3  541.3669728  595161404452916 1    442619 1      C-13-H3C(O)CH3
 1060710.6627  0.2088 -5.8551 3 1828.7988740  595161404922271 4    912170 4      C-13-H3C(O)CH3
 1060710.6627  0.2088 -5.8551 3 1828.7988740  595161404922171 4    912270 4      C-13-H3C(O)CH3
 1060719.4077  0.2751 -5.4678 3 1828.7757E80  595161404922171 1    912170 1      C-13-H3C(O)CH3
 1060719.4077  0.2751 -5.4678 3 1828.7757E80  595161404922271 1    912270 1      C-13-H3C(O)CH3
 1060725.9197  0.2784 -5.4732 3 1828.7790E80  595161404922271 2    912170 2      C-13-H3C(O)CH3
 1060725.9197  0.2784 -5.5775 3 1828.7790E80  595161404922171 2    912270 2      C-13-H3C(O)CH3
 1060731.5170  0.1245 -5.5982 3  596.5050380  595161404473116 4    462818 4      C-13-H3C(O)CH3
 1060734.6576  0.2590 -5.7585 3 1828.7559E80  595161404922271 0    912270 0      C-13-H3C(O)CH3
 1060734.6576  0.2590 -5.7585 3 1828.7559E80  595161404922171 0    912170 0      C-13-H3C(O)CH3
 1060734.6576  0.2590 -5.7652 3 1828.7559E80  595161404922271 0    912170 0      C-13-H3C(O)CH3
 1060734.6576  0.2590 -5.7652 3 1828.7559E80  595161404922171 0    912270 0      C-13-H3C(O)CH3
 1060746.9448  0.0141 -4.5074 3  505.3170372  595161404461928 3    451629 3      C-13-H3C(O)CH3
 1060746.9448  0.0141 -4.5074 3  505.3170372  595161404461828 3    451729 3      C-13-H3C(O)CH3
 1060746.9648  0.0141 -4.5074 3  505.3169372  595161404461828 4    451729 4      C-13-H3C(O)CH3
 1060746.9648  0.0141 -4.5074 3  505.3169372  595161404461928 4    451629 4      C-13-H3C(O)CH3
 1060780.4610  0.1178 -5.4723 3 1487.9111604  595161404753936 4    744035 4      C-13-H3C(O)CH3
 1060780.5052  0.1178 -5.4723 3 1487.9111604  595161404753936 3    744035 3      C-13-H3C(O)CH3
 1060794.7358  0.1262 -5.1712 3 1487.9027C08  595161404753936 2    744035 2      C-13-H3C(O)CH3
 1060798.8892  0.1271 -5.1713 3 1487.8987C08  595161404753936 1    744035 1      C-13-H3C(O)CH3
 1060808.5130  0.1162 -5.4723 3 1487.9104604  595161404754036 4    743935 4      C-13-H3C(O)CH3
 1060808.5824  0.1162 -5.4723 3 1487.9104604  595161404754036 3    743935 3      C-13-H3C(O)CH3
 1060810.1185  0.2870 -4.8082 3  985.4300484  595161404603922 4    593821 4      C-13-H3C(O)CH3
 1060813.0884  0.1329 -5.1712 3 1487.8904C08  595161404753936 0    744035 0      C-13-H3C(O)CH3
 1060820.1309  0.1260 -5.1712 3 1487.9020C08  595161404754036 2    743935 2      C-13-H3C(O)CH3
 1060826.6247  0.1280 -5.1712 3 1487.8980C08  595161404754036 1    743935 1      C-13-H3C(O)CH3
 1060838.1649  0.1346 -5.1712 3 1487.8897C08  595161404754036 0    743935 0      C-13-H3C(O)CH3
 1060924.6991  0.0246 -4.7742 3  541.3625728  595161404452916 2    442619 2      C-13-H3C(O)CH3
 1060936.4163  0.0179 -5.0238 3  336.7737340  59516140442 835 4    41 536 4      C-13-H3C(O)CH3
 1060936.4163  0.0179 -5.0238 3  336.7737340  59516140442 735 4    41 636 4      C-13-H3C(O)CH3
 1060937.0984  0.0167 -4.9838 3  336.7736340  59516140442 835 3    41 536 3      C-13-H3C(O)CH3
 1060937.0984  0.0167 -4.9838 3  336.7736340  59516140442 735 3    41 636 3      C-13-H3C(O)CH3
 1061073.0616  0.3893 -4.5983 3 1077.0923A16  595161404633925 2    623824 2      C-13-H3C(O)CH3
 1061085.3465  0.0234 -5.2233 3  523.9310712  595161404443015 1    432717 1      C-13-H3C(O)CH3
 1061104.3257  0.0327 -5.4020 3  523.9157356  595161404443015 4    432717 4      C-13-H3C(O)CH3
 1061109.8537  0.0184 -5.0678 3  541.3464364  595161404452916 3    442619 3      C-13-H3C(O)CH3
 1061121.0409  0.1381 -4.3356 3  985.3925968  595161404603922 2    593821 2      C-13-H3C(O)CH3
 1061123.5929  0.0514 -4.0136 3  923.0293436  5951614045451 3 4    5350 3 4      C-13-H3C(O)CH3
 1061135.0248  0.0417 -3.7126 3  922.9955872  5951614045451 3 1    5350 3 1      C-13-H3C(O)CH3
 1061152.7687  0.0515 -4.2504 3  985.3590968  595161404603922 0    593821 0      C-13-H3C(O)CH3
 1061158.9741  0.1010 -4.3244 3  985.3912968  595161404603922 1    593821 1      C-13-H3C(O)CH3
 1061183.1178  0.2799 -4.5980 3 1077.0895A16  595161404633925 1    623824 1      C-13-H3C(O)CH3
 1061209.1710  0.0417 -3.7125 3  922.9799872  5951614045451 3 2    5350 3 2      C-13-H3C(O)CH3
 1061221.0715  0.0399 -3.7124 3  922.9462872  5951614045451 3 0    5350 3 0      C-13-H3C(O)CH3
 1061221.0715  0.0399 -3.7124 3  922.9462872  5951614045451 4 0    5350 4 0      C-13-H3C(O)CH3
 1061230.2396  0.0293 -5.1603 3  523.9300712  595161404443015 2    432717 2      C-13-H3C(O)CH3
 1061232.9635  0.0531 -4.0136 3  923.0068436  5951614045451 4 3    5350 4 3      C-13-H3C(O)CH3
 1061280.1744  0.1751 -5.7217 3 1699.8607676  595161404843154 4    833153 4      C-13-H3C(O)CH3
 1061280.1744  0.1751 -5.7217 3 1699.8607676  595161404843054 4    833053 4      C-13-H3C(O)CH3
 1061280.2170  0.1751 -5.6717 3 1699.8607676  595161404843154 3    833153 3      C-13-H3C(O)CH3
 1061280.2170  0.1751 -5.6717 3 1699.8607676  595161404843054 3    833053 3      C-13-H3C(O)CH3
 1061307.1854  0.2006 -5.3485 3 1699.8453D52  595161404843054 1    833153 1      C-13-H3C(O)CH3
 1061307.1854  0.2006 -5.3485 3 1699.8453D52  595161404843154 1    833053 1      C-13-H3C(O)CH3
 1061311.1368  0.1993 -5.5330 3 1699.8488D52  595161404843054 2    833053 2      C-13-H3C(O)CH3
 1061311.1368  0.1993 -5.5330 3 1699.8488D52  595161404843154 2    833153 2      C-13-H3C(O)CH3
 1061311.1368  0.1993 -5.7773 3 1699.8488D52  595161404843154 2    833053 2      C-13-H3C(O)CH3
 1061311.1368  0.1993 -5.7773 3 1699.8488D52  595161404843054 2    833153 2      C-13-H3C(O)CH3
 1061313.4186  0.0514 -4.0135 3  923.0174436  5951614045451 3 3    5350 3 3      C-13-H3C(O)CH3
 1061318.4714  0.0521 -3.7124 3  922.9575872  5951614045451 4 2    5350 4 2      C-13-H3C(O)CH3
 1061324.8559  0.0481 -3.7124 3  922.9838872  5951614045451 4 1    5350 4 1      C-13-H3C(O)CH3
 1061338.0796  0.2042 -5.5204 3 1699.8334D52  595161404843154 0    833153 0      C-13-H3C(O)CH3
 1061338.0796  0.2042 -5.3371 3 1699.8334D52  595161404843054 0    833053 0      C-13-H3C(O)CH3
 1061338.0796  0.2042 -5.7689 3 1699.8334D52  595161404843054 0    833153 0      C-13-H3C(O)CH3
 1061346.6503  0.0139 -4.6784 3  336.7771680  59516140442 735 2    41 536 2      C-13-H3C(O)CH3
 1061346.6503  0.0139 -4.6784 3  336.7771680  59516140442 835 2    41 636 2      C-13-H3C(O)CH3
 1061349.3361  0.0149 -4.7419 3  336.7776680  59516140442 835 1    41 636 1      C-13-H3C(O)CH3
 1061349.3361  0.0149 -5.5263 3  336.7776680  59516140442 735 1    41 636 1      C-13-H3C(O)CH3
 1061349.3361  0.0149 -5.5263 3  336.7776680  59516140442 835 1    41 536 1      C-13-H3C(O)CH3
 1061349.3361  0.0149 -4.7419 3  336.7776680  59516140442 735 1    41 536 1      C-13-H3C(O)CH3
 1061366.7571  0.0306 -5.0863 3  541.3461364  595161404452916 4    442619 4      C-13-H3C(O)CH3
 1061409.4851  0.0205 -4.7941 3  523.9443712  595161404443014 0    432717 0      C-13-H3C(O)CH3
 1061422.2456  0.0681 -4.0134 3  922.9950436  5951614045451 4 4    5350 4 4      C-13-H3C(O)CH3
 1061522.1734  0.0427 -4.5503 3  985.4191484  595161404603922 3    593821 3      C-13-H3C(O)CH3
 1061635.1581  0.0308 -5.4202 3  291.0245332  59516140441 537 4    40 338 4      C-13-H3C(O)CH3
 1061635.1581  0.0308 -5.4202 3  291.0245332  59516140441 437 4    40 238 4      C-13-H3C(O)CH3
 1061635.2338  0.0290 -5.5246 3  291.0244332  59516140441 437 3    40 338 3      C-13-H3C(O)CH3
 1061635.2338  0.0290 -5.5246 3  291.0244332  59516140441 537 3    40 238 3      C-13-H3C(O)CH3
 1061716.3174  0.2177 -5.5297 3 1913.4730G08  595161404A01288 0    991387 0      C-13-H3C(O)CH3
 1061716.3174  0.2177 -5.5297 3 1913.4730G08  595161404A01388 0    991287 0      C-13-H3C(O)CH3
 1061742.9159  0.2156 -5.5648 3 1913.4904G08  595161404A01288 1    991387 1      C-13-H3C(O)CH3
 1061742.9159  0.2156 -5.5859 3 1913.4904G08  595161404A01388 1    991287 1      C-13-H3C(O)CH3
 1061744.5946  0.2225 -5.8948 3 1913.4905G08  595161404A01288 2    991287 2      C-13-H3C(O)CH3
 1061744.5946  0.2225 -5.7724 3 1913.4905G08  595161404A01288 2    991387 2      C-13-H3C(O)CH3
 1061744.5946  0.2225 -5.8948 3 1913.4905G08  595161404A01388 2    991387 2      C-13-H3C(O)CH3
 1061744.5946  0.2225 -5.7724 3 1913.4905G08  595161404A01388 2    991287 2      C-13-H3C(O)CH3
 1061758.1719  0.0133 -4.6858 3  336.7810680  59516140442 735 0    41 636 0      C-13-H3C(O)CH3
 1061758.1719  0.0133 -4.6858 3  336.7810680  59516140442 835 0    41 536 0      C-13-H3C(O)CH3
 1061771.2240  0.2018 -5.8896 3 1913.5079804  595161404A01288 3    991387 3      C-13-H3C(O)CH3
 1061771.2240  0.2018 -5.8896 3 1913.5079804  595161404A01388 3    991287 3      C-13-H3C(O)CH3
 1061813.0734  0.2126 -5.8151 3 1844.2848748  595161404932173 4    922072 4      C-13-H3C(O)CH3
 1061813.0734  0.2126 -5.8151 3 1844.2848748  595161404932073 4    922172 4      C-13-H3C(O)CH3
 1061813.0767  0.2126 -5.8641 3 1844.2848748  595161404932073 3    922172 3      C-13-H3C(O)CH3
 1061813.0767  0.2126 -5.8641 3 1844.2848748  595161404932173 3    922072 3      C-13-H3C(O)CH3
 1061818.6962  0.2819 -5.4783 3 1844.2610E96  595161404932173 1    922072 1      C-13-H3C(O)CH3
 1061818.6962  0.2819 -5.4783 3 1844.2610E96  595161404932073 1    922172 1      C-13-H3C(O)CH3
 1061818.7714  0.3018 -4.8979 3 1077.0887508  595161404633925 4    623824 4      C-13-H3C(O)CH3
 1061825.0793  0.2867 -5.5725 3 1844.2641E96  595161404932073 2    922072 2      C-13-H3C(O)CH3
 1061825.0793  0.2867 -5.5725 3 1844.2641E96  595161404932173 2    922172 2      C-13-H3C(O)CH3
 1061830.7019  0.2639 -5.7188 3 1844.2403E96  595161404932073 0    922072 0      C-13-H3C(O)CH3
 1061830.7019  0.2639 -5.8492 3 1844.2403E96  595161404932073 0    922172 0      C-13-H3C(O)CH3
 1061830.7019  0.2639 -5.8492 3 1844.2403E96  595161404932173 0    922072 0      C-13-H3C(O)CH3
 1061830.7019  0.2639 -5.7188 3 1844.2403E96  595161404932173 0    922172 0      C-13-H3C(O)CH3
 1061885.9233  0.3523 -4.8962 3 1077.0876508  595161404633925 3    623824 3      C-13-H3C(O)CH3
 1061922.8847  0.0371 -5.7291 3  523.9177356  595161404443015 3    432717 3      C-13-H3C(O)CH3
 1062021.7355  0.0278 -5.8514 3  398.1443300  5951614043732 6 4    3629 8 4      C-13-H3C(O)CH3
 1062041.1066  0.0320 -4.9956 3  523.9310712  595161404443014 1    432717 1      C-13-H3C(O)CH3
 1062112.7342  0.1809 -5.6647 3 1720.3481684  595161404853056 4    843055 4      C-13-H3C(O)CH3
 1062112.7342  0.1809 -5.6647 3 1720.3481684  595161404852956 4    842955 4      C-13-H3C(O)CH3
 1062112.7734  0.1809 -5.6757 3 1720.3481684  595161404852956 3    842955 3      C-13-H3C(O)CH3
 1062112.7734  0.1809 -5.6757 3 1720.3481684  595161404853056 3    843055 3      C-13-H3C(O)CH3
 1062138.7709  0.2099 -5.3595 3 1720.3321D68  595161404853056 1    842955 1      C-13-H3C(O)CH3
 1062138.7709  0.2099 -5.3595 3 1720.3321D68  595161404852956 1    843055 1      C-13-H3C(O)CH3
 1062143.2363  0.2085 -5.3612 3 1720.3357D68  595161404853056 2    843055 2      C-13-H3C(O)CH3
 1062143.2363  0.2085 -5.3612 3 1720.3357D68  595161404852956 2    842955 2      C-13-H3C(O)CH3
 1062169.2108  0.2121 -5.3800 3 1720.3197D68  595161404852956 0    842955 0      C-13-H3C(O)CH3
 1062169.2108  0.2121 -5.3800 3 1720.3197D68  595161404853056 0    843055 0      C-13-H3C(O)CH3
 1062211.4478  0.0276 -5.8490 3  398.1553300  5951614043732 6 3    3629 8 3      C-13-H3C(O)CH3
 1062251.9261  0.0223 -5.5540 3  398.1888600  5951614043732 6 2    3629 8 2      C-13-H3C(O)CH3
 1062300.6514  0.0236 -5.5522 3  398.1705600  5951614043732 6 1    3629 8 1      C-13-H3C(O)CH3
 1062407.8346  0.0295 -5.1140 3  290.9933664  59516140441 537 2    40 238 2      C-13-H3C(O)CH3
 1062407.8346  0.0295 -5.1140 3  290.9933664  59516140441 437 2    40 338 2      C-13-H3C(O)CH3
 1062409.3645  0.0321 -5.1150 3  290.9937664  59516140441 537 1    40 338 1      C-13-H3C(O)CH3
 1062409.3645  0.0321 -5.1150 3  290.9937664  59516140441 437 1    40 238 1      C-13-H3C(O)CH3
 1062422.2839  0.0467 -5.2104 3  523.9177356  595161404443014 3    432717 3      C-13-H3C(O)CH3
 1062442.3116  0.0233 -5.5515 3  398.1997600  5951614043732 5 2    3629 7 2      C-13-H3C(O)CH3
 1062532.6200  0.0978 -4.4594 3  698.7602824  595161404513220 0    502921 0      C-13-H3C(O)CH3
 1062535.4260  0.0231 -5.5557 3  398.2148600  5951614043732 6 0    3629 7 0      C-13-H3C(O)CH3
 1062535.4339  0.0231 -5.5557 3  398.2148600  5951614043732 5 0    3629 8 0      C-13-H3C(O)CH3
 1062556.1666  0.0276 -5.8520 3  398.1619300  5951614043732 5 3    3629 7 3      C-13-H3C(O)CH3
 1062587.4929  0.0488 -5.0399 3  523.9300712  595161404443014 2    432717 2      C-13-H3C(O)CH3
 1062743.6158  0.0304 -5.8496 3  398.1728300  5951614043732 5 4    3629 7 4      C-13-H3C(O)CH3
 1062835.8620  0.0238 -5.5527 3  398.1879600  5951614043732 5 1    3629 7 1      C-13-H3C(O)CH3
 1062862.0890  0.0629 -4.9946 3  985.3925968  595161404603921 2    593821 2      C-13-H3C(O)CH3
 1062869.1274  0.0509 -5.0505 3  985.3912968  595161404603921 1    593821 1      C-13-H3C(O)CH3
 1062933.0167  0.2161 -5.8124 3 1859.2324756  595161404941975 3    931974 3      C-13-H3C(O)CH3
 1062933.0167  0.2161 -5.8124 3 1859.2324756  595161404942075 3    932074 3      C-13-H3C(O)CH3
 1062935.2105  0.2866 -5.5509 3 1859.2081F12  595161404942075 1    932074 1      C-13-H3C(O)CH3
 1062935.2105  0.2866 -5.5509 3 1859.2081F12  595161404941975 1    931974 1      C-13-H3C(O)CH3
 1062941.3465  0.2931 -5.7879 3 1859.2108F12  595161404941975 2    932074 2      C-13-H3C(O)CH3
 1062941.3465  0.2931 -5.7879 3 1859.2108F12  595161404942075 2    931974 2      C-13-H3C(O)CH3
 1062941.3465  0.2931 -5.8038 3 1859.2108F12  595161404942075 2    932074 2      C-13-H3C(O)CH3
 1062941.3465  0.2931 -5.8038 3 1859.2108F12  595161404941975 2    931974 2      C-13-H3C(O)CH3
 1062943.5466  0.2676 -5.5310 3 1859.1865F12  595161404942075 0    931974 0      C-13-H3C(O)CH3
 1062943.5466  0.2676 -5.5310 3 1859.1865F12  595161404941975 0    932074 0      C-13-H3C(O)CH3
 1063021.5246  0.2196 -5.3827 3 1740.2507D84  595161404862858 1    852957 1      C-13-H3C(O)CH3
 1063021.5246  0.2196 -5.3827 3 1740.2507D84  595161404862958 1    852857 1      C-13-H3C(O)CH3
 1063026.4743  0.2181 -5.4149 3 1740.2543D84  595161404862958 2    852957 2      C-13-H3C(O)CH3
 1063026.4743  0.2181 -5.4149 3 1740.2543D84  595161404862858 2    852857 2      C-13-H3C(O)CH3
 1063037.4783  0.0336 -4.0635 3  928.7208444  5951614045549 6 4    5448 6 4      C-13-H3C(O)CH3
 1063051.2896  0.2201 -5.4180 3 1740.2377D84  595161404862858 0    852957 0      C-13-H3C(O)CH3
 1063051.2896  0.2201 -5.4180 3 1740.2377D84  595161404862958 0    852857 0      C-13-H3C(O)CH3
 1063059.2318  0.0771 -4.8985 3  985.4300484  595161404603921 4    593821 4      C-13-H3C(O)CH3
 1063087.4299  0.0267 -3.7624 3  928.7061888  5951614045549 6 1    5448 6 1      C-13-H3C(O)CH3
 1063103.2252  0.0277 -3.7624 3  928.6875888  5951614045549 7 2    5448 6 2      C-13-H3C(O)CH3
 1063119.2884  0.0364 -4.0635 3  928.7196444  5951614045549 6 3    5448 6 3      C-13-H3C(O)CH3
 1063153.6869  0.0251 -3.7624 3  928.6727888  5951614045549 7 0    5448 6 0      C-13-H3C(O)CH3
 1063153.6869  0.0251 -3.7624 3  928.6727888  5951614045549 6 0    5448 7 0      C-13-H3C(O)CH3
 1063166.8228  0.7835 -5.6170 3 1439.1677588  595161404734231 3    724330 3      C-13-H3C(O)CH3
 1063168.1994  0.7677 -5.6170 3 1439.1677588  595161404734231 4    724330 4      C-13-H3C(O)CH3
 1063178.6681  0.0355 -4.0634 3  928.7119444  5951614045549 7 3    5448 7 3      C-13-H3C(O)CH3
 1063180.3530  0.0276 -5.6520 3  290.9626664  59516140441 537 0    40 338 0      C-13-H3C(O)CH3
 1063180.3530  0.0276 -5.2607 3  290.9626664  59516140441 437 0    40 338 0      C-13-H3C(O)CH3
 1063180.3530  0.0276 -5.6520 3  290.9626664  59516140441 437 0    40 238 0      C-13-H3C(O)CH3
 1063180.3530  0.0276 -5.2607 3  290.9626664  59516140441 537 0    40 238 0      C-13-H3C(O)CH3
 1063185.4965  0.0336 -3.7624 3  928.6863888  5951614045549 6 2    5448 7 2      C-13-H3C(O)CH3
 1063229.1269  0.0315 -3.7623 3  928.6972888  5951614045549 7 1    5448 7 1      C-13-H3C(O)CH3
 1063251.2448  0.0809 -4.4626 3  698.7407824  595161404513220 1    502921 1      C-13-H3C(O)CH3
 1063259.9098  0.1189 -5.4742 3 1460.7456596  595161404744034 3    734133 3      C-13-H3C(O)CH3
 1063259.9911  0.1183 -5.4742 3 1460.7456596  595161404744034 4    734133 4      C-13-H3C(O)CH3
 1063260.5058  0.0465 -4.0634 3  928.7107444  5951614045549 7 4    5448 7 4      C-13-H3C(O)CH3
 1063272.6597  0.1183 -5.1731 3 1460.7339B92  595161404744034 1    734133 1      C-13-H3C(O)CH3
 1063277.2305  0.1223 -5.1730 3 1460.7385B92  595161404744034 2    734133 2      C-13-H3C(O)CH3
 1063289.8033  0.1205 -5.1730 3 1460.7269B92  595161404744034 0    734133 0      C-13-H3C(O)CH3
 1063341.3748  0.6007 -4.8436 3 1179.2830A64  595161404664027 0    653926 0      C-13-H3C(O)CH3
 1063347.4644  0.7147 -5.3154 3 1439.1563B76  595161404734231 1    724330 1      C-13-H3C(O)CH3
 1063361.5364  0.0594 -5.3911 3  523.9157356  595161404443014 4    432717 4      C-13-H3C(O)CH3
 1063501.5848  0.1159 -4.4642 3  698.7329824  595161404513220 2    502921 2      C-13-H3C(O)CH3
 1063707.2133  0.9195 -5.3142 3 1439.1579B76  595161404734231 2    724330 2      C-13-H3C(O)CH3
 1063713.9871  0.7174 -5.0213 3 1286.0247B12  595161404694129 0    684028 0      C-13-H3C(O)CH3
 1063873.4661  0.1216 -5.1725 3 1460.7235B92  595161404744134 2    734033 2      C-13-H3C(O)CH3
 1063876.9883  0.1421 -5.1724 3 1460.7122B92  595161404744134 0    734033 0      C-13-H3C(O)CH3
 1063884.6799  0.7600 -5.3136 3 1439.1466B76  595161404734231 0    724330 0      C-13-H3C(O)CH3
 1063896.3927  0.0992 -5.4736 3 1460.7297596  595161404744134 4    734033 4      C-13-H3C(O)CH3
 1063896.5550  0.0993 -5.4736 3 1460.7296596  595161404744134 3    734033 3      C-13-H3C(O)CH3
 1063899.8419  0.1287 -5.1725 3 1460.7183B92  595161404744134 1    734033 1      C-13-H3C(O)CH3
 1063923.4749  0.1921 -5.7040 3 1759.6242700  595161404872760 3    862759 3      C-13-H3C(O)CH3
 1063923.4749  0.1921 -5.7040 3 1759.6242700  595161404872860 3    862859 3      C-13-H3C(O)CH3
 1063946.9546  0.2296 -5.5276 3 1759.6068E00  595161404872760 1    862759 1      C-13-H3C(O)CH3
 1063946.9546  0.2296 -5.5276 3 1759.6068E00  595161404872860 1    862859 1      C-13-H3C(O)CH3
 1063952.3532  0.2282 -5.4661 3 1759.6105E00  595161404872760 2    862759 2      C-13-H3C(O)CH3
 1063952.3532  0.2282 -5.4661 3 1759.6105E00  595161404872860 2    862859 2      C-13-H3C(O)CH3
 1063975.8150  0.2282 -5.4029 3 1759.5931E00  595161404872860 0    862759 0      C-13-H3C(O)CH3
 1063975.8150  0.2282 -5.4029 3 1759.5931E00  595161404872760 0    862859 0      C-13-H3C(O)CH3
 1064031.4139  1.9986 -5.7966 3 1568.2580C24  595161404764531 1    754630 1      C-13-H3C(O)CH3
 1064067.9922  0.2888 -5.5699 3 1873.6187F28  595161404951977 1    941976 1      C-13-H3C(O)CH3
 1064067.9922  0.2888 -5.5699 3 1873.6187F28  595161404951877 1    941876 1      C-13-H3C(O)CH3
 1064069.5317  0.2190 -5.8844 3 1873.6435764  595161404951977 3    941876 3      C-13-H3C(O)CH3
 1064069.5317  0.2190 -5.8844 3 1873.6435764  595161404951877 3    941976 3      C-13-H3C(O)CH3
 1064072.2320  0.2695 -5.5186 3 1873.5964F28  595161404951877 0    941876 0      C-13-H3C(O)CH3
 1064072.2320  0.2695 -5.5186 3 1873.5964F28  595161404951977 0    941976 0      C-13-H3C(O)CH3
 1064073.7616  0.2970 -5.5504 3 1873.6211F28  595161404951877 2    941876 2      C-13-H3C(O)CH3
 1064073.7616  0.2970 -5.5504 3 1873.6211F28  595161404951977 2    941976 2      C-13-H3C(O)CH3
 1064084.6004  0.7271 -4.8423 3 1179.2742A64  595161404664027 2    653926 2      C-13-H3C(O)CH3
 1064159.8017  0.0890 -4.7698 3  698.7135412  595161404513220 4    502921 4      C-13-H3C(O)CH3
 1064207.4278  0.2773 -5.5041 3 1432.5823588  595161404734132 3    724231 3      C-13-H3C(O)CH3
 1064208.1560  0.2712 -5.5041 3 1432.5823588  595161404734132 4    724231 4      C-13-H3C(O)CH3
 1064217.5172  0.8425 -5.0211 3 1286.0209B12  595161404694129 2    684028 2      C-13-H3C(O)CH3
 1064257.1002  0.2540 -5.2028 3 1432.5713B76  595161404734132 1    724231 1      C-13-H3C(O)CH3
 1064288.4492  0.1017 -4.7670 3  698.7132412  595161404513220 3    502921 3      C-13-H3C(O)CH3
 1064321.4945  0.0414 -4.9920 3  985.2858968  595161404603922 2    593822 2      C-13-H3C(O)CH3
 1064333.7436  0.0415 -5.0476 3  985.2853968  595161404603922 1    593822 1      C-13-H3C(O)CH3
 1064366.4113  0.3143 -5.2024 3 1432.5754B76  595161404734132 2    724231 2      C-13-H3C(O)CH3
 1064367.4391  0.5334 -4.8417 3 1179.2645A64  595161404664027 1    653926 1      C-13-H3C(O)CH3
 1064414.5313  0.2597 -5.2022 3 1432.5645B76  595161404734132 0    724231 0      C-13-H3C(O)CH3
 1064418.6410  0.0455 -4.8954 3  985.3097484  595161404603922 4    593822 4      C-13-H3C(O)CH3
 1064581.7804  0.6415 -5.0208 3 1286.0064B12  595161404694129 1    684028 1      C-13-H3C(O)CH3
 1064588.9429  0.0090 -5.1057 3  461.7048728  595161404451630 0    441431 0      C-13-H3C(O)CH3
 1064588.9429  0.0090 -4.3340 3  461.7048728  595161404451530 0    441431 0      C-13-H3C(O)CH3
 1064588.9429  0.0090 -4.2655 3  461.7048728  595161404451530 0    441331 0      C-13-H3C(O)CH3
 1064630.6008  0.0118 -4.2701 3  461.6751728  595161404451630 2    441431 2      C-13-H3C(O)CH3
 1064630.6008  0.0118 -4.2717 3  461.6751728  595161404451530 2    441331 2      C-13-H3C(O)CH3
 1064633.5794  0.0117 -4.2699 3  461.6761728  595161404451630 1    441431 1      C-13-H3C(O)CH3
 1064633.5794  0.0117 -4.2657 3  461.6761728  595161404451530 1    441331 1      C-13-H3C(O)CH3
 1064675.1389  0.0130 -4.5831 3  461.6463364  595161404451530 4    441431 4      C-13-H3C(O)CH3
 1064675.1389  0.0130 -4.5831 3  461.6463364  595161404451630 4    441331 4      C-13-H3C(O)CH3
 1064675.3287  0.0131 -4.5800 3  461.6463364  595161404451630 3    441331 3      C-13-H3C(O)CH3
 1064675.3287  0.0131 -4.5753 3  461.6463364  595161404451530 3    441431 3      C-13-H3C(O)CH3
 1064715.5906  0.0273 -4.1218 3  936.0629452  595161404564710 4    554610 4      C-13-H3C(O)CH3
 1064791.4349  0.0246 -3.8207 3  936.0397904  595161404564710 2    554610 2      C-13-H3C(O)CH3
 1064812.8236  0.0211 -3.8206 3  936.0506904  595161404564710 1    5546 9 1      C-13-H3C(O)CH3
 1064814.1065  0.0292 -4.1218 3  936.0775452  5951614045647 9 3    5546 9 3      C-13-H3C(O)CH3
 1064839.3808  0.0297 -4.1218 3  936.0628452  595161404564710 3    554610 3      C-13-H3C(O)CH3
 1064886.5899  0.1974 -5.7272 3 1778.4235708  595161404882762 4    872761 4      C-13-H3C(O)CH3
 1064886.5899  0.1974 -5.7272 3 1778.4235708  595161404882662 4    872661 4      C-13-H3C(O)CH3
 1064886.6182  0.1974 -5.7295 3 1778.4234708  595161404882762 3    872761 3      C-13-H3C(O)CH3
 1064886.6182  0.1974 -5.7295 3 1778.4234708  595161404882662 3    872661 3      C-13-H3C(O)CH3
 1064888.8533  0.0197 -3.8206 3  936.0272904  5951614045647 9 0    5546 9 0      C-13-H3C(O)CH3
 1064888.8533  0.0197 -3.8206 3  936.0272904  595161404564710 0    554610 0      C-13-H3C(O)CH3
 1064890.4384  0.0254 -3.8207 3  936.0542904  5951614045647 9 2    5546 9 2      C-13-H3C(O)CH3
 1064908.5392  0.2399 -5.4581 3 1778.4052E16  595161404882762 1    872761 1      C-13-H3C(O)CH3
 1064908.5392  0.2399 -5.4581 3 1778.4052E16  595161404882662 1    872661 1      C-13-H3C(O)CH3
 1064914.3431  0.2388 -5.4616 3 1778.4090E16  595161404882662 2    872661 2      C-13-H3C(O)CH3
 1064914.3431  0.2388 -5.4993 3 1778.4090E16  595161404882762 2    872661 2      C-13-H3C(O)CH3
 1064936.2488  0.2362 -5.4235 3 1778.3907E16  595161404882762 0    872761 0      C-13-H3C(O)CH3
 1064936.2488  0.2362 -5.4235 3 1778.3907E16  595161404882662 0    872661 0      C-13-H3C(O)CH3
 1064937.0887  0.0232 -3.8206 3  936.0504904  5951614045647 9 1    554610 1      C-13-H3C(O)CH3
 1064938.3519  0.0351 -4.1218 3  936.0773452  5951614045647 9 4    5546 9 4      C-13-H3C(O)CH3
 1064987.2363  2.6652 -5.7945 3 1568.2518C24  595161404764531 2    754630 2      C-13-H3C(O)CH3
 1065086.4117  0.6838 -5.3216 3 1286.0025556  595161404694129 4    684028 4      C-13-H3C(O)CH3
 1065090.4890  0.6989 -5.3216 3 1286.0025556  595161404694129 3    684028 3      C-13-H3C(O)CH3
 1065099.7864  0.6003 -5.1414 3 1179.2561532  595161404664027 4    653926 4      C-13-H3C(O)CH3
 1065117.7144  0.6250 -5.1413 3 1179.2558532  595161404664027 3    653926 3      C-13-H3C(O)CH3
 1065216.0575  0.2693 -5.7457 3 1887.4718F44  595161404961779 0    951878 0      C-13-H3C(O)CH3
 1065216.0575  0.2693 -5.7457 3 1887.4718F44  595161404961879 0    951778 0      C-13-H3C(O)CH3
 1065216.3219  0.2877 -5.7416 3 1887.4946F44  595161404961779 1    951878 1      C-13-H3C(O)CH3
 1065216.3219  0.2877 -5.7416 3 1887.4946F44  595161404961879 1    951778 1      C-13-H3C(O)CH3
 1065221.6096  0.2976 -5.7294 3 1887.4967F44  595161404961879 2    951878 2      C-13-H3C(O)CH3
 1065221.6096  0.2976 -5.7294 3 1887.4967F44  595161404961779 2    951778 2      C-13-H3C(O)CH3
 1065221.8877  0.2213 -5.8807 3 1887.5195772  595161404961879 3    951878 3      C-13-H3C(O)CH3
 1065221.8877  0.2213 -5.8807 3 1887.5195772  595161404961779 3    951778 3      C-13-H3C(O)CH3
 1065221.8953  0.2213 -5.8306 3 1887.5196772  595161404961879 4    951778 4      C-13-H3C(O)CH3
 1065221.8953  0.2213 -5.8306 3 1887.5196772  595161404961779 4    951878 4      C-13-H3C(O)CH3
 1065243.5171  2.1324 -5.7940 3 1568.2417C24  595161404764531 0    754630 0      C-13-H3C(O)CH3
 1065372.3716  0.0881 -4.6277 3  979.6029484  595161404603822 3    593723 3      C-13-H3C(O)CH3
 1065385.2233  0.0800 -4.3300 3  979.5584968  595161404603822 0    593723 0      C-13-H3C(O)CH3
 1065437.2320  0.0751 -4.3333 3  979.5798968  595161404603822 2    593723 2      C-13-H3C(O)CH3
 1065440.6448  0.0848 -4.3332 3  979.5797968  595161404603822 1    593723 1      C-13-H3C(O)CH3
 1065620.5930  0.1179 -4.6476 3  979.5996484  595161404603822 4    593723 4      C-13-H3C(O)CH3
 1065754.2957  0.0471 -4.2473 3  985.2565968  595161404603921 0    593822 0      C-13-H3C(O)CH3
 1065881.0531  0.2027 -5.7476 3 1796.6691716  595161404892664 4    882663 4      C-13-H3C(O)CH3
 1065881.0531  0.2027 -5.7476 3 1796.6691716  595161404892564 4    882563 4      C-13-H3C(O)CH3
 1065881.0775  0.2027 -5.7733 3 1796.6691716  595161404892664 3    882663 3      C-13-H3C(O)CH3
 1065881.0775  0.2027 -5.7733 3 1796.6691716  595161404892564 3    882563 3      C-13-H3C(O)CH3
 1065893.4463  0.0110 -4.1934 3  540.7467760  595161404472027 0    461928 0      C-13-H3C(O)CH3
 1065893.4490  0.0110 -4.1934 3  540.7467760  595161404472127 0    461828 0      C-13-H3C(O)CH3
 1065901.2242  0.2504 -5.4740 3 1796.6500E32  595161404892664 1    882663 1      C-13-H3C(O)CH3
 1065901.2242  0.2504 -5.5323 3 1796.6500E32  595161404892564 1    882563 1      C-13-H3C(O)CH3
 1065907.3789  0.2497 -5.5722 3 1796.6538E32  595161404892664 2    882663 2      C-13-H3C(O)CH3
 1065907.3789  0.2497 -5.5122 3 1796.6538E32  595161404892564 2    882563 2      C-13-H3C(O)CH3
 1065927.5129  0.2442 -5.5830 3 1796.6347E32  595161404892564 0    882563 0      C-13-H3C(O)CH3
 1065927.5129  0.2442 -5.5830 3 1796.6347E32  595161404892664 0    882663 0      C-13-H3C(O)CH3
 1065955.3112  0.0375 -4.5474 3  985.3204484  595161404603921 3    593822 3      C-13-H3C(O)CH3
 1066007.5518  0.0145 -4.1931 3  540.7226760  595161404472027 2    461928 2      C-13-H3C(O)CH3
 1066007.5549  0.0145 -4.1931 3  540.7226760  595161404472127 2    461828 2      C-13-H3C(O)CH3
 1066009.7564  0.0120 -4.1930 3  540.7238760  595161404472027 1    461928 1      C-13-H3C(O)CH3
 1066009.7595  0.0120 -4.1930 3  540.7238760  595161404472127 1    461828 1      C-13-H3C(O)CH3
 1066043.8969  0.1216 -4.3213 3  985.2853968  595161404603921 1    593822 1      C-13-H3C(O)CH3
 1066055.5468  0.0281 -4.1911 3  945.1737460  595161404574513 4    564413 4      C-13-H3C(O)CH3
 1066062.5425  0.1676 -4.3324 3  985.2858968  595161404603921 2    593822 2      C-13-H3C(O)CH3
 1066124.0572  0.0160 -4.4938 3  540.6997380  595161404472027 3    461928 3      C-13-H3C(O)CH3
 1066124.0608  0.0160 -4.4938 3  540.6997380  595161404472127 3    461828 3      C-13-H3C(O)CH3
 1066124.1863  0.0161 -4.4938 3  540.6996380  595161404472027 4    461928 4      C-13-H3C(O)CH3
 1066124.1898  0.0161 -4.4938 3  540.6996380  595161404472127 4    461828 4      C-13-H3C(O)CH3
 1066151.1144  0.0255 -3.8899 3  945.1505920  595161404574513 2    564413 2      C-13-H3C(O)CH3
 1066185.9230  0.0195 -3.8897 3  945.1504920  595161404574513 1    564413 1      C-13-H3C(O)CH3
 1066193.3604  0.0292 -4.1910 3  945.1804460  595161404574513 3    564413 3      C-13-H3C(O)CH3
 1066197.5004  0.0263 -4.1910 3  945.1919460  595161404574512 3    564412 3      C-13-H3C(O)CH3
 1066281.4465  0.0172 -3.8896 3  945.1271920  595161404574513 0    564412 0      C-13-H3C(O)CH3
 1066281.4465  0.0172 -3.8896 3  945.1271920  595161404574512 0    564413 0      C-13-H3C(O)CH3
 1066293.2871  0.0219 -3.8898 3  945.1687920  595161404574512 2    564412 2      C-13-H3C(O)CH3
 1066323.7600  0.0189 -3.8897 3  945.1571920 -595161404574512 1    564412 1      C-13-H3C(O)CH3
 1066335.7733  0.0286 -4.1909 3  945.1986460  595161404574512 4    564412 4      C-13-H3C(O)CH3
 1066374.5511  0.2668 -5.5980 3 1900.8144F60  595161404971681 0    961680 0      C-13-H3C(O)CH3
 1066374.5511  0.2668 -5.5980 3 1900.8144F60  595161404971781 0    961780 0      C-13-H3C(O)CH3
 1066379.6800  0.2830 -5.7761 3 1900.8374F60  595161404971681 1    961680 1      C-13-H3C(O)CH3
 1066379.6800  0.2830 -5.7761 3 1900.8374F60  595161404971781 1    961780 1      C-13-H3C(O)CH3
 1066384.3823  0.2942 -5.5401 3 1900.8391F60  595161404971781 2    961680 2      C-13-H3C(O)CH3
 1066384.3823  0.2942 -5.5401 3 1900.8391F60  595161404971681 2    961780 2      C-13-H3C(O)CH3
 1066389.5290  0.2228 -5.8834 3 1900.8622780  595161404971781 3    961780 3      C-13-H3C(O)CH3
 1066389.5290  0.2228 -5.8834 3 1900.8622780  595161404971681 3    961680 3      C-13-H3C(O)CH3
 1066389.5399  0.2228 -5.8632 3 1900.8622780  595161404971681 4    961780 4      C-13-H3C(O)CH3
 1066389.5399  0.2228 -5.8632 3 1900.8622780  595161404971781 4    961680 4      C-13-H3C(O)CH3
 1066579.3540  0.0302 -4.3853 3  969.4574476  595161404594118 4    584018 4      C-13-H3C(O)CH3
 1066635.9626  0.0235 -5.4279 3  447.4094324  595161404403110 3    392811 3      C-13-H3C(O)CH3
 1066641.4871  0.0245 -4.0844 3  969.4116952  595161404594118 2    584018 2      C-13-H3C(O)CH3
 1066664.1559  0.0250 -4.0854 3  969.4039952  595161404594118 1    584018 1      C-13-H3C(O)CH3
 1066664.6170  0.0213 -5.1287 3  447.4012648  595161404403110 1    392812 1      C-13-H3C(O)CH3
 1066667.7543  0.3316 -4.8046 3  985.3097484  595161404603921 4    593822 4      C-13-H3C(O)CH3
 1066714.9581  0.0210 -4.0834 3  969.3584952  595161404594119 0    584018 0      C-13-H3C(O)CH3
 1066735.2033  0.0208 -5.1284 3  447.4380648  5951614044031 9 2    392811 2      C-13-H3C(O)CH3
 1066738.3004  0.0210 -4.0834 3  969.3579952  595161404594118 0    584019 0      C-13-H3C(O)CH3
 1066756.0708  0.0199 -5.1305 3  447.4300648  595161404403110 0    392811 0      C-13-H3C(O)CH3
 1066778.4436  0.0330 -4.3913 3  969.4474476  595161404594118 3    584018 3      C-13-H3C(O)CH3
 1066778.4448  0.0199 -5.1305 3  447.4293648  5951614044031 9 0    392812 0      C-13-H3C(O)CH3
 1066801.1150  0.0346 -4.3912 3  969.4441476  595161404594119 3    584019 3      C-13-H3C(O)CH3
 1066815.7721  0.0252 -5.4296 3  447.3817324  595161404403110 4    392812 4      C-13-H3C(O)CH3
 1066845.5439  0.0288 -4.2757 3  956.2184468  595161404584316 4    574216 4      C-13-H3C(O)CH3
 1066860.9495  0.0254 -5.4272 3  447.4271324  5951614044031 9 4    392811 4      C-13-H3C(O)CH3
 1066863.1129  0.0263 -4.0838 3  969.3984952  595161404594119 2    584019 2      C-13-H3C(O)CH3
 1066863.9876  0.0236 -4.0848 3  969.3939952  595161404594119 1    584019 1      C-13-H3C(O)CH3
 1066888.0035  0.0211 -5.1286 3  447.4190648  5951614044031 9 1    392811 1      C-13-H3C(O)CH3
 1066902.9039  0.2078 -5.7652 3 1814.3648724  595161404902566 4    892565 4      C-13-H3C(O)CH3
 1066902.9039  0.2078 -5.7652 3 1814.3648724  595161404902466 4    892465 4      C-13-H3C(O)CH3
 1066902.9244  0.2078 -5.8934 3 1814.3647724  595161404902466 3    892565 3      C-13-H3C(O)CH3
 1066902.9244  0.2078 -5.8934 3 1814.3647724  595161404902566 3    892465 3      C-13-H3C(O)CH3
 1066918.3773  0.0209 -5.1306 3  447.4103648  595161404403110 2    392812 2      C-13-H3C(O)CH3
 1066921.0649  0.2611 -5.6458 3 1814.3447E48  595161404902466 1    892565 1      C-13-H3C(O)CH3
 1066921.0649  0.2611 -5.5098 3 1814.3447E48  595161404902566 1    892465 1      C-13-H3C(O)CH3
 1066927.5038  0.2610 -5.7375 3 1814.3485E48  595161404902566 2    892565 2      C-13-H3C(O)CH3
 1066927.5038  0.2610 -5.7947 3 1814.3485E48  595161404902466 2    892565 2      C-13-H3C(O)CH3
 1066927.5038  0.2610 -5.5762 3 1814.3485E48  595161404902466 2    892465 2      C-13-H3C(O)CH3
 1066945.6342  0.2521 -5.5211 3 1814.3285E48  595161404902566 0    892565 0      C-13-H3C(O)CH3
 1066945.6342  0.2521 -5.5211 3 1814.3285E48  595161404902466 0    892465 0      C-13-H3C(O)CH3
 1066945.6680  0.0243 -3.9744 3  956.1856936  595161404584316 2    574216 2      C-13-H3C(O)CH3
 1066976.9918  0.0200 -3.9743 3  956.1781936  595161404584316 1    574216 1      C-13-H3C(O)CH3
 1067000.2598  0.0394 -4.3842 3  969.4342476  595161404594119 4    584019 4      C-13-H3C(O)CH3
 1067017.0031  0.0297 -4.2755 3  956.2230468  595161404584316 3    574216 3      C-13-H3C(O)CH3
 1067036.5088  0.0277 -4.2754 3  956.2264468  595161404584315 3    574215 3      C-13-H3C(O)CH3
 1067041.6583  0.0648 -4.0150 3  933.2001436  5951614045452 2 4    5351 2 4      C-13-H3C(O)CH3
 1067043.6405  0.0241 -5.4300 3  447.3995324  5951614044031 9 3    392812 3      C-13-H3C(O)CH3
 1067052.3927  0.0530 -3.7139 3  933.1564872  5951614045452 2 1    5351 2 1      C-13-H3C(O)CH3
 1067077.0620  0.0144 -3.9740 3  956.1453936 -595161404584315 0    574216 0      C-13-H3C(O)CH3
 1067077.0620  0.0144 -3.9740 3  956.1453936 -595161404584316 0    574215 0      C-13-H3C(O)CH3
 1067136.6763  0.0232 -3.9740 3  956.1935936  595161404584315 2    574215 2      C-13-H3C(O)CH3
 1067148.3992  0.0202 -3.9741 3  956.1827936  595161404584315 1    574215 1      C-13-H3C(O)CH3
 1067149.8910  0.0529 -3.7137 3  933.1463872  5951614045452 2 2    5351 2 2      C-13-H3C(O)CH3
 1067160.8874  0.0519 -3.7137 3  933.1026872  5951614045452 3 0    5351 2 0      C-13-H3C(O)CH3
 1067160.8874  0.0519 -3.7137 3  933.1026872  5951614045452 2 0    5351 3 0      C-13-H3C(O)CH3
 1067174.0216  0.0651 -4.0148 3  933.1724436  5951614045452 3 3    5351 3 3      C-13-H3C(O)CH3
 1067208.1626  0.0323 -4.2752 3  956.2310468  595161404584315 4    574215 4      C-13-H3C(O)CH3
 1067252.1677  0.0626 -4.0148 3  933.1921436  5951614045452 2 3    5351 2 3      C-13-H3C(O)CH3
 1067262.6107  0.0603 -3.7137 3  933.1485872  5951614045452 3 1    5351 3 1      C-13-H3C(O)CH3
 1067281.8991  0.0661 -3.7136 3  933.1187872  5951614045452 3 2    5351 3 2      C-13-H3C(O)CH3
 1067303.6780  0.0130 -4.6666 3  417.2446356  595161404441232 4    431033 4      C-13-H3C(O)CH3
 1067303.6780  0.0130 -4.6666 3  417.2446356  595161404441332 4    431133 4      C-13-H3C(O)CH3
 1067304.1302  0.0128 -4.6627 3  417.2447356  595161404441332 3    431133 3      C-13-H3C(O)CH3
 1067304.1302  0.0128 -4.6627 3  417.2447356  595161404441232 3    431033 3      C-13-H3C(O)CH3
 1067363.7860  0.0126 -5.6031 3  417.2715712  595161404441332 2    431133 2      C-13-H3C(O)CH3
 1067363.7860  0.0126 -4.3872 3  417.2715712  595161404441332 2    431033 2      C-13-H3C(O)CH3
 1067363.7860  0.0126 -5.6031 3  417.2715712  595161404441232 2    431033 2      C-13-H3C(O)CH3
 1067363.7860  0.0126 -4.3872 3  417.2715712  595161404441232 2    431133 2      C-13-H3C(O)CH3
 1067367.1207  0.0128 -5.1337 3  417.2723712  595161404441332 1    431033 1      C-13-H3C(O)CH3
 1067367.1207  0.0128 -4.4420 3  417.2723712  595161404441232 1    431033 1      C-13-H3C(O)CH3
 1067367.1207  0.0128 -5.1337 3  417.2723712  595161404441232 1    431133 1      C-13-H3C(O)CH3
 1067367.1207  0.0128 -4.4420 3  417.2723712  595161404441332 1    431133 1      C-13-H3C(O)CH3
 1067383.8856  0.0828 -4.0146 3  933.1644436  5951614045452 3 4    5351 3 4      C-13-H3C(O)CH3
 1067426.7103  0.0102 -4.3827 3  417.2992712  595161404441232 0    431133 0      C-13-H3C(O)CH3
 1067426.7103  0.0102 -5.6868 3  417.2992712  595161404441332 0    431133 0      C-13-H3C(O)CH3
 1067426.7103  0.0102 -5.6868 3  417.2992712  595161404441232 0    431033 0      C-13-H3C(O)CH3
 1067426.7103  0.0102 -4.3827 3  417.2992712  595161404441332 0    431033 0      C-13-H3C(O)CH3
 1067457.8057  0.1470 -5.5639 3 1599.7913636  595161404793643 4    783742 4      C-13-H3C(O)CH3
 1067457.8058  0.1470 -5.5639 3 1599.7913636  595161404793743 4    783642 4      C-13-H3C(O)CH3
 1067457.8674  0.1470 -5.5639 3 1599.7912636  595161404793643 3    783742 3      C-13-H3C(O)CH3
 1067457.8676  0.1470 -5.5639 3 1599.7912636  595161404793743 3    783642 3      C-13-H3C(O)CH3
 1067487.7892  0.1593 -5.2631 3 1599.7821C72  595161404793643 2    783742 2      C-13-H3C(O)CH3
 1067487.7893  0.1593 -5.2631 3 1599.7821C72  595161404793743 2    783642 2      C-13-H3C(O)CH3
 1067487.7962  0.1603 -5.2628 3 1599.7789C72  595161404793643 1    783742 1      C-13-H3C(O)CH3
 1067487.7964  0.1603 -5.2628 3 1599.7789C72  595161404793743 1    783642 1      C-13-H3C(O)CH3
 1067517.6767  0.1675 -5.2629 3 1599.7698C72  595161404793643 0    783742 0      C-13-H3C(O)CH3
 1067517.6768  0.1675 -5.2629 3 1599.7698C72  595161404793743 0    783642 0      C-13-H3C(O)CH3
 1067547.4493  0.2618 -5.5550 3 1913.6258F76  595161404981683 0    971682 0      C-13-H3C(O)CH3
 1067547.4493  0.2618 -5.5550 3 1913.6258F76  595161404981583 0    971582 0      C-13-H3C(O)CH3
 1067557.7174  0.2744 -5.6527 3 1913.6486F76  595161404981683 1    971582 1      C-13-H3C(O)CH3
 1067557.7174  0.2744 -5.6527 3 1913.6486F76  595161404981583 1    971682 1      C-13-H3C(O)CH3
 1067561.7504  0.2865 -5.6057 3 1913.6499F76  595161404981583 2    971582 2      C-13-H3C(O)CH3
 1067561.7504  0.2865 -5.6057 3 1913.6499F76  595161404981683 2    971682 2      C-13-H3C(O)CH3
 1067572.0404  0.2232 -5.8614 3 1913.6727788  595161404981583 3    971682 3      C-13-H3C(O)CH3
 1067572.0404  0.2232 -5.8585 3 1913.6727788  595161404981683 3    971582 3      C-13-H3C(O)CH3
 1067572.0545  0.2232 -5.8577 3 1913.6728788  595161404981683 4    971582 4      C-13-H3C(O)CH3
 1067572.0545  0.2232 -5.8577 3 1913.6728788  595161404981583 4    971682 4      C-13-H3C(O)CH3
 1067587.1625  0.1403 -5.5454 3 1575.0120628  595161404783741 4    773840 4      C-13-H3C(O)CH3
 1067587.1693  0.1403 -5.5454 3 1575.0120628  595161404783841 4    773740 4      C-13-H3C(O)CH3
 1067587.2263  0.1403 -5.5453 3 1575.0119628  595161404783741 3    773840 3      C-13-H3C(O)CH3
 1067587.2331  0.1403 -5.5453 3 1575.0119628  595161404783841 3    773740 3      C-13-H3C(O)CH3
 1067610.8497  0.1536 -5.5843 3 1623.9067644  595161404803545 4    793644 4      C-13-H3C(O)CH3
 1067610.8497  0.1536 -5.5843 3 1623.9067644  595161404803645 4    793544 4      C-13-H3C(O)CH3
 1067610.9089  0.1536 -5.5842 3 1623.9067644  595161404803545 3    793644 3      C-13-H3C(O)CH3
 1067610.9089  0.1536 -5.5842 3 1623.9067644  595161404803645 3    793544 3      C-13-H3C(O)CH3
 1067614.9711  0.1515 -5.2444 3 1575.0030C56  595161404783741 2    773840 2      C-13-H3C(O)CH3
 1067614.9764  0.1515 -5.2444 3 1575.0030C56  595161404783841 2    773740 2      C-13-H3C(O)CH3
 1067616.0176  0.1525 -5.2443 3 1574.9998C56  595161404783741 1    773840 1      C-13-H3C(O)CH3
 1067616.0247  0.1525 -5.2443 3 1574.9998C56  595161404783841 1    773740 1      C-13-H3C(O)CH3
 1067641.3800  0.1682 -5.2831 3 1623.8942C88  595161404803645 1    793544 1      C-13-H3C(O)CH3
 1067641.3800  0.1682 -5.2831 3 1623.8942C88  595161404803545 1    793644 1      C-13-H3C(O)CH3
 1067642.2114  0.1672 -5.2840 3 1623.8973C88  595161404803645 2    793544 2      C-13-H3C(O)CH3
 1067642.2114  0.1672 -5.2845 3 1623.8973C88  595161404803545 2    793644 2      C-13-H3C(O)CH3
 1067643.7206  0.1596 -5.2443 3 1574.9909C56  595161404783741 0    773840 0      C-13-H3C(O)CH3
 1067643.7262  0.1596 -5.2443 3 1574.9909C56  595161404783841 0    773740 0      C-13-H3C(O)CH3
 1067672.6428  0.1755 -5.2832 3 1623.8849C88  595161404803645 0    793544 0      C-13-H3C(O)CH3
 1067672.6428  0.1755 -5.2832 3 1623.8849C88  595161404803545 0    793644 0      C-13-H3C(O)CH3
 1067949.0843  0.2128 -5.8381 3 1831.5134732  595161404912368 3    902367 3      C-13-H3C(O)CH3
 1067964.9679  0.2716 -5.5729 3 1831.4924E64  595161404912468 1    902467 1      C-13-H3C(O)CH3
 1067964.9679  0.2716 -5.5729 3 1831.4924E64  595161404912368 1    902367 1      C-13-H3C(O)CH3
 1067967.4964  0.1601 -5.6099 3 1647.3849652  595161404813547 4    803546 4      C-13-H3C(O)CH3
 1067967.4964  0.1601 -5.6099 3 1647.3849652  595161404813447 4    803446 4      C-13-H3C(O)CH3
 1067967.5528  0.1601 -5.8876 3 1647.3849652  595161404813447 3    803546 3      C-13-H3C(O)CH3
 1067967.5528  0.1601 -5.8876 3 1647.3849652  595161404813547 3    803446 3      C-13-H3C(O)CH3
 1067971.6111  0.2725 -5.5466 3 1831.4962E64  595161404912468 2    902367 2      C-13-H3C(O)CH3
 1067971.6111  0.2725 -5.5466 3 1831.4962E64  595161404912368 2    902467 2      C-13-H3C(O)CH3
 1067987.4873  0.2598 -5.5170 3 1831.4752E64  595161404912468 0    902367 0      C-13-H3C(O)CH3
 1067987.4873  0.2598 -5.5170 3 1831.4752E64  595161404912368 0    902467 0      C-13-H3C(O)CH3
 1067998.1579  0.1764 -5.3352 3 1647.3722D04  595161404813547 1    803446 1      C-13-H3C(O)CH3
 1067998.1579  0.1764 -5.3365 3 1647.3722D04  595161404813447 1    803546 1      C-13-H3C(O)CH3
 1067999.7118  0.1753 -5.4383 3 1647.3754D04  595161404813547 2    803546 2      C-13-H3C(O)CH3
 1067999.7118  0.1753 -5.3782 3 1647.3754D04  595161404813447 2    803446 2      C-13-H3C(O)CH3
 1067999.7118  0.1753 -5.8812 3 1647.3754D04  595161404813547 2    803446 2      C-13-H3C(O)CH3
 1068030.2792  0.1836 -5.3048 3 1647.3627D04  595161404813547 0    803446 0      C-13-H3C(O)CH3
 1068030.2792  0.1836 -5.3051 3 1647.3627D04  595161404813447 0    803546 0      C-13-H3C(O)CH3
 1068125.1469  0.1334 -5.5296 3 1549.5315620  595161404773839 4    763938 4      C-13-H3C(O)CH3
 1068125.2113  0.1334 -5.5296 3 1549.5315620  595161404773839 3    763938 3      C-13-H3C(O)CH3
 1068125.4112  0.1334 -5.5296 3 1549.5315620  595161404773939 4    763838 4      C-13-H3C(O)CH3
 1068125.4761  0.1334 -5.5296 3 1549.5315620  595161404773939 3    763838 3      C-13-H3C(O)CH3
 1068149.4749  0.1436 -5.2286 3 1549.5229C40  595161404773839 2    763938 2      C-13-H3C(O)CH3
 1068149.6977  0.1436 -5.2286 3 1549.5229C40  595161404773939 2    763838 2      C-13-H3C(O)CH3
 1068151.9191  0.1448 -5.2286 3 1549.5195C40  595161404773839 1    763938 1      C-13-H3C(O)CH3
 1068152.1873  0.1449 -5.2286 3 1549.5195C40  595161404773939 1    763838 1      C-13-H3C(O)CH3
 1068176.1430  0.1518 -5.2285 3 1549.5110C40  595161404773839 0    763938 0      C-13-H3C(O)CH3
 1068176.3687  0.1518 -5.2285 3 1549.5110C40  595161404773939 0    763838 0      C-13-H3C(O)CH3
 1068333.5361  0.0919 -4.3500 3 1015.0958984  595161404613923 0    603822 0      C-13-H3C(O)CH3
 1068396.8771  0.0212 -5.5799 3  545.6444728  595161404453016 1    442718 1      C-13-H3C(O)CH3
 1068458.5766  0.0313 -5.5365 3  545.6277364  595161404453016 4    442718 4      C-13-H3C(O)CH3
 1068475.8169  0.1666 -5.6894 3 1670.2458660  595161404823449 4    813348 4      C-13-H3C(O)CH3
 1068475.8169  0.1666 -5.6894 3 1670.2458660  595161404823349 4    813448 4      C-13-H3C(O)CH3
 1068475.8702  0.1667 -5.6642 3 1670.2458660  595161404823449 3    813448 3      C-13-H3C(O)CH3
 1068475.8702  0.1667 -5.6642 3 1670.2458660  595161404823349 3    813348 3      C-13-H3C(O)CH3
 1068506.3068  0.1847 -5.3278 3 1670.2328D20  595161404823449 1    813448 1      C-13-H3C(O)CH3
 1068506.3068  0.1847 -5.3278 3 1670.2328D20  595161404823349 1    813348 1      C-13-H3C(O)CH3
 1068508.5133  0.1836 -5.3291 3 1670.2360D20  595161404823349 2    813348 2      C-13-H3C(O)CH3
 1068508.5133  0.1836 -5.3291 3 1670.2360D20  595161404823449 2    813448 2      C-13-H3C(O)CH3
 1068536.0254  0.0278 -5.3978 3  545.6417728  595161404453016 2    442718 2      C-13-H3C(O)CH3
 1068536.2568  0.0747 -4.3615 3 1015.1190984  595161404613923 2    603822 2      C-13-H3C(O)CH3
 1068538.9144  0.1916 -5.3329 3 1670.2230D20  595161404823449 0    813448 0      C-13-H3C(O)CH3
 1068538.9144  0.1916 -5.3329 3 1670.2230D20  595161404823349 0    813348 0      C-13-H3C(O)CH3
 1068555.9032  0.0737 -4.3615 3 1015.1190984  595161404613923 1    603822 1      C-13-H3C(O)CH3
 1068585.1249  0.1396 -4.6988 3 1015.1449492  595161404613923 4    603822 4      C-13-H3C(O)CH3
 1068734.6863  0.2543 -5.6525 3 1925.9075F92  595161404991485 0    981484 0      C-13-H3C(O)CH3
 1068734.6863  0.2543 -5.6525 3 1925.9075F92  595161404991585 0    981584 0      C-13-H3C(O)CH3
 1068750.2335  0.2624 -5.7654 3 1925.9296F92  595161404991585 1    981584 1      C-13-H3C(O)CH3
 1068750.2335  0.2624 -5.7654 3 1925.9296F92  595161404991485 1    981484 1      C-13-H3C(O)CH3
 1068753.5413  0.2745 -5.7474 3 1925.9305F92  595161404991485 2    981584 2      C-13-H3C(O)CH3
 1068753.5413  0.2745 -5.7474 3 1925.9305F92  595161404991585 2    981484 2      C-13-H3C(O)CH3
 1068927.5833  0.0888 -4.6483 3 1015.1399492  595161404613923 3    603822 3      C-13-H3C(O)CH3
 1068990.2905  0.0985 -4.5898 3  673.3717808  595161404503219 0    492920 0      C-13-H3C(O)CH3
 1069027.3929  0.0406 -4.0621 3  938.3846444  5951614045550 5 4    5449 5 4      C-13-H3C(O)CH3
 1069030.4624  0.0147 -4.8838 3  372.1627348  595161404431034 4    42 835 4      C-13-H3C(O)CH3
 1069030.4624  0.0147 -4.8838 3  372.1627348  59516140443 934 4    42 735 4      C-13-H3C(O)CH3
 1069030.4624  0.0147 -5.6885 3  372.1627348  59516140443 934 4    42 835 4      C-13-H3C(O)CH3
 1069030.4624  0.0147 -5.6885 3  372.1627348  595161404431034 4    42 735 4      C-13-H3C(O)CH3
 1069030.5016  0.2816 -5.5353 3 1848.0959E80  595161404922370 1    912369 1      C-13-H3C(O)CH3
 1069030.5016  0.2816 -5.5353 3 1848.0959E80  595161404922270 1    912269 1      C-13-H3C(O)CH3
 1069031.1407  0.0140 -4.8235 3  372.1627348  595161404431034 3    42 835 3      C-13-H3C(O)CH3
 1069031.1407  0.0140 -4.8235 3  372.1627348  59516140443 934 3    42 735 3      C-13-H3C(O)CH3
 1069037.2556  0.2837 -5.8728 3 1848.0995E80  595161404922370 2    912369 2      C-13-H3C(O)CH3
 1069037.2556  0.2837 -5.7438 3 1848.0995E80  595161404922270 2    912369 2      C-13-H3C(O)CH3
 1069037.2556  0.2837 -5.8728 3 1848.0995E80  595161404922270 2    912269 2      C-13-H3C(O)CH3
 1069037.2556  0.2837 -5.7438 3 1848.0995E80  595161404922370 2    912269 2      C-13-H3C(O)CH3
 1069050.6067  0.2671 -5.6662 3 1848.0777E80  595161404922270 0    912269 0      C-13-H3C(O)CH3
 1069050.6067  0.2671 -5.6662 3 1848.0777E80  595161404922370 0    912369 0      C-13-H3C(O)CH3
 1069065.4892  0.0325 -3.7611 3  938.3658888  5951614045550 5 1    5449 5 1      C-13-H3C(O)CH3
 1069098.6226  0.1823 -4.4681 3 1045.6492A00  595161404623924 0    613823 0      C-13-H3C(O)CH3
 1069100.1669  0.1731 -5.7406 3 1692.5046668  595161404833251 4    823250 4      C-13-H3C(O)CH3
 1069100.1669  0.1731 -5.6628 3 1692.5046668  595161404833351 4    823350 4      C-13-H3C(O)CH3
 1069100.2171  0.1731 -5.8282 3 1692.5046668  595161404833251 3    823350 3      C-13-H3C(O)CH3
 1069101.1532  0.0330 -3.7610 3  938.3470888  5951614045550 5 2    5449 5 2      C-13-H3C(O)CH3
 1069112.3531  0.0429 -4.0621 3  938.3774444  5951614045550 6 3    5449 5 3      C-13-H3C(O)CH3
 1069130.2442  0.1934 -5.4839 3 1692.4911D36  595161404833351 1    823250 1      C-13-H3C(O)CH3
 1069130.2442  0.1934 -5.5308 3 1692.4911D36  595161404833351 1    823350 1      C-13-H3C(O)CH3
 1069130.2442  0.1934 -5.8153 3 1692.4911D36  595161404833251 1    823350 1      C-13-H3C(O)CH3
 1069133.0589  0.1921 -5.3721 3 1692.4945D36  595161404833351 2    823350 2      C-13-H3C(O)CH3
 1069133.0589  0.1921 -5.4201 3 1692.4945D36  595161404833351 2    823250 2      C-13-H3C(O)CH3
 1069139.8142  0.0308 -3.7610 3  938.3281888  5951614045550 6 0    5449 5 0      C-13-H3C(O)CH3
 1069139.8142  0.0308 -3.7610 3  938.3281888  5951614045550 5 0    5449 6 0      C-13-H3C(O)CH3
 1069163.0531  0.1997 -5.3948 3 1692.4811D36  595161404833351 0    823250 0      C-13-H3C(O)CH3
 1069163.0531  0.1997 -5.3948 3 1692.4811D36  595161404833251 0    823350 0      C-13-H3C(O)CH3
 1069181.0490  0.0415 -4.0620 3  938.3754444  5951614045550 5 3    5449 6 3      C-13-H3C(O)CH3
 1069186.4157  0.0408 -3.7610 3  938.3398888  5951614045550 6 2    5449 6 2      C-13-H3C(O)CH3
 1069219.5098  0.0381 -3.7610 3  938.3566888  5951614045550 6 1    5449 6 1      C-13-H3C(O)CH3
 1069254.9845  0.0206 -4.7660 3  545.6580728  595161404453015 0    442718 0      C-13-H3C(O)CH3
 1069265.7963  0.0550 -4.0620 3  938.3683444  5951614045550 6 4    5449 6 4      C-13-H3C(O)CH3
 1069267.2158  0.0135 -4.5396 3  372.1798696  59516140443 934 2    42 735 2      C-13-H3C(O)CH3
 1069267.2158  0.0135 -5.8612 3  372.1798696  59516140443 934 2    42 835 2      C-13-H3C(O)CH3
 1069267.2158  0.0135 -5.8612 3  372.1798696  595161404431034 2    42 735 2      C-13-H3C(O)CH3
 1069267.2158  0.0135 -4.5396 3  372.1798696  595161404431034 2    42 835 2      C-13-H3C(O)CH3
 1069270.3301  0.0138 -4.8169 3  372.1804696  59516140443 934 1    42 835 1      C-13-H3C(O)CH3
 1069270.3301  0.0138 -4.8239 3  372.1804696  595161404431034 1    42 835 1      C-13-H3C(O)CH3
 1069270.3301  0.0138 -4.8169 3  372.1804696  595161404431034 1    42 735 1      C-13-H3C(O)CH3
 1069270.3301  0.0138 -4.8239 3  372.1804696  59516140443 934 1    42 735 1      C-13-H3C(O)CH3
 1069287.1513  0.1260 -5.5183 3 1523.2952612  595161404763937 4    754036 4      C-13-H3C(O)CH3
 1069287.2096  0.1260 -5.5183 3 1523.2951612  595161404763937 3    754036 3      C-13-H3C(O)CH3
 1069295.5536  0.1254 -5.5183 3 1523.2950612  595161404764037 4    753936 4      C-13-H3C(O)CH3
 1069295.6209  0.1254 -5.5183 3 1523.2949612  595161404764037 3    753936 3      C-13-H3C(O)CH3
 1069305.9401  0.1353 -5.2172 3 1523.2872C24  595161404763937 2    754036 2      C-13-H3C(O)CH3
 1069310.1897  0.1369 -5.2173 3 1523.2834C24  595161404763937 1    754036 1      C-13-H3C(O)CH3
 1069313.4287  0.1352 -5.2172 3 1523.2870C24  595161404764037 2    753936 2      C-13-H3C(O)CH3
 1069318.5533  0.1372 -5.2172 3 1523.2832C24  595161404764037 1    753936 1      C-13-H3C(O)CH3
 1069328.8863  0.1436 -5.2172 3 1523.2755C24  595161404763937 0    754036 0      C-13-H3C(O)CH3
 1069336.3304  0.1443 -5.2172 3 1523.2753C24  595161404764037 0    753936 0      C-13-H3C(O)CH3
 1069427.2490  0.0823 -4.3820 3  724.2396840  595161404523221 0    512922 0      C-13-H3C(O)CH3
 1069506.0367  0.0123 -4.5304 3  372.1975696  59516140443 934 0    42 735 0      C-13-H3C(O)CH3
 1069506.0367  0.0123 -4.5861 3  372.1975696  595161404431034 0    42 835 0      C-13-H3C(O)CH3
 1069506.0367  0.0123 -5.3642 3  372.1975696  595161404431034 0    42 735 0      C-13-H3C(O)CH3
 1069538.3709  0.1917 -4.4681 3 1045.6601A00  595161404623924 2    613823 2      C-13-H3C(O)CH3
 1069583.8962  0.1443 -4.4683 3 1045.6597A00  595161404623924 1    613823 1      C-13-H3C(O)CH3
 1069809.3740  0.0300 -4.8381 3  545.6444728  595161404453015 1    442718 1      C-13-H3C(O)CH3
 1069815.3475  0.1795 -5.6909 3 1714.1732676  595161404843253 3    833152 3      C-13-H3C(O)CH3
 1069815.3475  0.1795 -5.6909 3 1714.1732676  595161404843153 3    833252 3      C-13-H3C(O)CH3
 1069837.7619  0.0809 -4.5960 3  673.3488808  595161404503219 1    492920 1      C-13-H3C(O)CH3
 1069844.7598  0.2023 -5.5972 3 1714.1593D52  595161404843253 1    833252 1      C-13-H3C(O)CH3
 1069844.7598  0.2023 -5.7645 3 1714.1593D52  595161404843153 1    833252 1      C-13-H3C(O)CH3
 1069844.7598  0.2023 -5.4747 3 1714.1593D52  595161404843153 1    833152 1      C-13-H3C(O)CH3
 1069848.1526  0.2008 -5.4157 3 1714.1628D52  595161404843253 2    833152 2      C-13-H3C(O)CH3
 1069848.1526  0.2008 -5.4157 3 1714.1628D52  595161404843153 2    833252 2      C-13-H3C(O)CH3
 1069877.5345  0.2078 -5.3745 3 1714.1489D52  595161404843253 0    833252 0      C-13-H3C(O)CH3
 1069877.5345  0.2078 -5.3745 3 1714.1489D52  595161404843153 0    833152 0      C-13-H3C(O)CH3
 1069917.8826  0.0703 -4.3837 3  724.2259840  595161404523221 1    512922 1      C-13-H3C(O)CH3
 1069936.3897  0.2449 -5.5786 3 1937.6611G08  595161404A01487 0    991486 0      C-13-H3C(O)CH3
 1069936.3897  0.2449 -5.5786 3 1937.6611G08  595161404A01387 0    991386 0      C-13-H3C(O)CH3
 1069940.6895  0.1120 -4.7738 3 1045.6720500  595161404623924 4    613823 4      C-13-H3C(O)CH3
 1069957.1608  0.2479 -5.7045 3 1937.6817G08  595161404A01487 1    991486 1      C-13-H3C(O)CH3
 1069957.1608  0.2479 -5.7045 3 1937.6817G08  595161404A01387 1    991386 1      C-13-H3C(O)CH3
 1069959.7233  0.2587 -5.6028 3 1937.6822G08  595161404A01487 2    991386 2      C-13-H3C(O)CH3
 1069959.7233  0.2587 -5.6028 3 1937.6822G08  595161404A01387 2    991486 2      C-13-H3C(O)CH3
 1069980.5440  0.2206 -5.8829 3 1937.7028804  595161404A01487 4    991386 4      C-13-H3C(O)CH3
 1069980.5440  0.2206 -5.8829 3 1937.7028804  595161404A01387 4    991486 4      C-13-H3C(O)CH3
 1070044.8840  0.0782 -4.3845 3  724.2211840  595161404523221 2    512922 2      C-13-H3C(O)CH3
 1070047.1027  1.2267 -5.7582 3 1481.6173596  595161404744331 3    734430 3      C-13-H3C(O)CH3
 1070047.6958  1.2052 -5.7582 3 1481.6173596  595161404744331 4    734430 4      C-13-H3C(O)CH3
 1070089.3281  0.0212 -5.0959 3  326.4368340  59516140442 636 4    41 437 4      C-13-H3C(O)CH3
 1070089.3281  0.0212 -5.0959 3  326.4368340  59516140442 736 4    41 537 4      C-13-H3C(O)CH3
 1070089.9328  0.0198 -5.1370 3  326.4368340  59516140442 736 3    41 437 3      C-13-H3C(O)CH3
 1070089.9328  0.0198 -5.1370 3  326.4368340  59516140442 636 3    41 537 3      C-13-H3C(O)CH3
 1070091.7254  0.1936 -4.7649 3 1045.6698500  595161404623924 3    613823 3      C-13-H3C(O)CH3
 1070115.7548  0.2908 -5.5264 3 1864.1575E96  595161404932172 1    922171 1      C-13-H3C(O)CH3
 1070115.7548  0.2908 -5.5264 3 1864.1575E96  595161404932272 1    922271 1      C-13-H3C(O)CH3
 1070122.5139  0.2943 -5.6123 3 1864.1610E96  595161404932272 2    922271 2      C-13-H3C(O)CH3
 1070122.5139  0.2943 -5.6123 3 1864.1610E96  595161404932172 2    922171 2      C-13-H3C(O)CH3
 1070133.0486  0.2737 -5.8006 3 1864.1382E96  595161404932272 0    922171 0      C-13-H3C(O)CH3
 1070133.0486  0.2737 -5.8006 3 1864.1382E96  595161404932172 0    922271 0      C-13-H3C(O)CH3
 1070133.0486  0.2737 -5.8440 3 1864.1382E96  595161404932172 0    922171 0      C-13-H3C(O)CH3
 1070133.0486  0.2737 -5.8440 3 1864.1382E96  595161404932272 0    922271 0      C-13-H3C(O)CH3
 1070207.5260  0.1319 -4.6004 3  673.3382808  595161404503219 2    492920 2      C-13-H3C(O)CH3
 1070238.0682  0.0546 -4.5486 3  683.6068412  595161404512823 3    502724 3      C-13-H3C(O)CH3
 1070238.7276  0.0537 -4.2477 3  683.6152824  595161404512823 2    502724 2      C-13-H3C(O)CH3
 1070239.8172  0.0551 -4.5486 3  683.6068412  595161404512823 4    502724 4      C-13-H3C(O)CH3
 1070240.5455  0.0126 -4.1909 3  576.3011776  595161404482226 0    472127 0      C-13-H3C(O)CH3
 1070240.6757  0.0126 -4.1909 3  576.3011776  595161404482326 0    472027 0      C-13-H3C(O)CH3
 1070262.3461  0.0324 -4.2478 3  683.6252824  595161404512823 0    502724 0      C-13-H3C(O)CH3
 1070263.6877  0.0321 -4.2476 3  683.6169824  595161404512823 1    502724 1      C-13-H3C(O)CH3
 1070281.0070  1.1011 -5.4565 3 1481.6062B92  595161404744331 1    734430 1      C-13-H3C(O)CH3
 1070299.1261  0.0393 -5.0903 3  545.6286364  595161404453015 3    442718 3      C-13-H3C(O)CH3
 1070303.9099  0.0499 -4.8825 3  545.6417728  595161404453015 2    442718 2      C-13-H3C(O)CH3
 1070358.1623  0.0178 -4.1906 3  576.2807776  595161404482226 2    472127 2      C-13-H3C(O)CH3
 1070358.3076  0.0178 -4.1906 3  576.2807776  595161404482326 2    472027 2      C-13-H3C(O)CH3
 1070360.5164  0.0133 -4.1905 3  576.2821776  595161404482226 1    472127 1      C-13-H3C(O)CH3
 1070360.6591  0.0133 -4.1905 3  576.2821776  595161404482326 1    472027 1      C-13-H3C(O)CH3
 1070478.3346  0.0192 -4.4913 3  576.2617388  595161404482226 3    472127 3      C-13-H3C(O)CH3
 1070478.4940  0.0192 -4.4913 3  576.2617388  595161404482326 3    472027 3      C-13-H3C(O)CH3
 1070478.5390  0.0193 -4.4913 3  576.2617388  595161404482226 4    472127 4      C-13-H3C(O)CH3
 1070478.6973  0.0193 -4.4913 3  576.2617388  595161404482326 4    472027 4      C-13-H3C(O)CH3
 1070513.9538  0.0508 -4.6875 3  724.2074420  595161404523221 4    512922 4      C-13-H3C(O)CH3
 1070569.1572  0.0578 -4.6871 3  724.2073420  595161404523221 3    512922 3      C-13-H3C(O)CH3
 1070602.8882  0.1857 -5.7040 3 1735.2612684  595161404853055 4    843054 4      C-13-H3C(O)CH3
 1070602.8882  0.1857 -5.7040 3 1735.2612684  595161404853155 4    843154 4      C-13-H3C(O)CH3
 1070602.9320  0.1857 -5.6967 3 1735.2612684  595161404853055 3    843154 3      C-13-H3C(O)CH3
 1070602.9320  0.1857 -5.6967 3 1735.2612684  595161404853155 3    843054 3      C-13-H3C(O)CH3
 1070603.7216  0.0200 -5.3466 3  421.9916648  595161404402615 0    392118 0      C-13-H3C(O)CH3
 1070604.2034  0.0162 -4.8098 3  326.4314680  59516140442 636 2    41 537 2      C-13-H3C(O)CH3
 1070604.2034  0.0162 -4.8098 3  326.4314680  59516140442 736 2    41 437 2      C-13-H3C(O)CH3
 1070606.4178  0.0177 -4.7933 3  326.4318680  59516140442 736 1    41 537 1      C-13-H3C(O)CH3
 1070606.4178  0.0177 -4.7933 3  326.4318680  59516140442 636 1    41 437 1      C-13-H3C(O)CH3
 1070618.8704  0.0374 -5.6996 3  280.0951332  59516140441 438 3    40 239 3      C-13-H3C(O)CH3
 1070618.8704  0.0374 -5.6996 3  280.0951332  59516140441 338 3    40 139 3      C-13-H3C(O)CH3
 1070619.3116  0.0393 -5.8324 3  280.0951332  59516140441 438 4    40 139 4      C-13-H3C(O)CH3
 1070619.3116  0.0393 -5.8324 3  280.0951332  59516140441 338 4    40 239 4      C-13-H3C(O)CH3
 1070631.5433  0.2115 -5.4009 3 1735.2467D68  595161404853155 1    843054 1      C-13-H3C(O)CH3
 1070631.5433  0.2115 -5.4009 3 1735.2467D68  595161404853055 1    843154 1      C-13-H3C(O)CH3
 1070635.4905  0.2099 -5.4323 3 1735.2503D68  595161404853055 2    843054 2      C-13-H3C(O)CH3
 1070635.4905  0.2099 -5.4323 3 1735.2503D68  595161404853155 2    843154 2      C-13-H3C(O)CH3
 1070650.1371  1.5585 -5.6190 3 1524.6320C08  595161404754431 1    744530 1      C-13-H3C(O)CH3
 1070664.0740  0.2160 -5.4515 3 1735.2359D68  595161404853055 0    843054 0      C-13-H3C(O)CH3
 1070664.0740  0.2160 -5.4431 3 1735.2359D68  595161404853155 0    843154 0      C-13-H3C(O)CH3
 1070782.0577  0.0189 -5.3468 3  421.9688648  595161404402615 1    392118 1      C-13-H3C(O)CH3
 1070799.3803  0.3532 -5.7127 3  991.5001484  595161404604021 4    593920 4      C-13-H3C(O)CH3
 1070799.7198  0.0298 -4.1171 3  945.1845452  5951614045648 9 4    5547 9 4      C-13-H3C(O)CH3
 1070832.1813  1.4345 -5.4548 3 1481.6059B92  595161404744331 2    734430 2      C-13-H3C(O)CH3
 1070874.6037  0.0261 -3.8160 3  945.1597904  5951614045648 9 2    5547 9 2      C-13-H3C(O)CH3
 1070884.3244  0.0237 -3.8160 3  945.1740904  5951614045648 9 1    5547 8 1      C-13-H3C(O)CH3
 1070886.6333  0.0327 -4.1171 3  945.1959452  5951614045648 8 3    5547 8 3      C-13-H3C(O)CH3
 1070905.5655  0.1063 -4.9161 3  673.3157404  595161404503219 4    492920 4      C-13-H3C(O)CH3
 1070924.4733  0.0324 -4.1170 3  945.1827452  5951614045648 9 3    5547 9 3      C-13-H3C(O)CH3
 1070959.5417  0.0221 -3.8159 3  945.1490904  5951614045648 9 0    5547 9 0      C-13-H3C(O)CH3
 1070959.5417  0.0221 -3.8159 3  945.1490904  5951614045648 8 0    5547 8 0      C-13-H3C(O)CH3
 1070962.0431  0.0295 -3.8160 3  945.1710904  5951614045648 8 2    5547 8 2      C-13-H3C(O)CH3
 1071009.6090  0.0273 -3.8159 3  945.1722904  5951614045648 8 1    5547 9 1      C-13-H3C(O)CH3
 1071011.7083  0.0409 -4.1171 3  945.1941452  5951614045648 8 4    5547 8 4      C-13-H3C(O)CH3
 1071012.1340  0.0096 -4.2337 3  497.2156744  595161404461729 0    451630 0      C-13-H3C(O)CH3
 1071012.1340  0.0096 -4.2336 3  497.2156744  595161404461829 0    451530 0      C-13-H3C(O)CH3
 1071026.1672  0.0194 -5.3529 3  421.9621648  595161404402615 2    392118 2      C-13-H3C(O)CH3
 1071063.9945  1.1763 -5.4541 3 1481.5948B92  595161404744331 0    734430 0      C-13-H3C(O)CH3
 1071098.5497  0.0124 -4.2325 3  497.1873744  595161404461729 2    451630 2      C-13-H3C(O)CH3
 1071098.5497  0.0124 -4.2331 3  497.1873744  595161404461829 2    451530 2      C-13-H3C(O)CH3
 1071100.8836  0.0118 -4.2338 3  497.1884744  595161404461829 1    451530 1      C-13-H3C(O)CH3
 1071100.8836  0.0118 -4.2338 3  497.1884744  595161404461729 1    451630 1      C-13-H3C(O)CH3
 1071107.8898  0.0627 -5.2477 3  545.6277364  595161404453015 4    442718 4      C-13-H3C(O)CH3
 1071114.1257  0.0459 -4.3038 3  719.3253840  595161404523122 0    512823 0      C-13-H3C(O)CH3
 1071119.7431  0.0154 -4.8414 3  326.4264680  59516140442 736 0    41 437 0      C-13-H3C(O)CH3
 1071119.7431  0.0154 -5.7668 3  326.4264680  59516140442 736 0    41 537 0      C-13-H3C(O)CH3
 1071119.7431  0.0154 -5.7668 3  326.4264680  59516140442 636 0    41 437 0      C-13-H3C(O)CH3
 1071119.7431  0.0154 -4.8414 3  326.4264680  59516140442 636 0    41 537 0      C-13-H3C(O)CH3
 1071136.9167  0.0173 -5.6584 3  421.9392324  595161404402615 4    392118 4      C-13-H3C(O)CH3
 1071187.4204  0.0141 -4.5344 3  497.1600372  595161404461729 4    451630 4      C-13-H3C(O)CH3
 1071187.4204  0.0141 -4.5344 3  497.1600372  595161404461829 4    451530 4      C-13-H3C(O)CH3
 1071187.4530  0.0141 -4.5327 3  497.1601372  595161404461829 3    451530 3      C-13-H3C(O)CH3
 1071187.4530  0.0141 -4.5337 3  497.1601372  595161404461729 3    451630 3      C-13-H3C(O)CH3
 1071208.0776  0.1294 -4.8982 3  673.3152404  595161404503219 3    492920 3      C-13-H3C(O)CH3
 1071219.2311  0.2985 -5.6053 3 1879.6795F12  595161404942074 1    932073 1      C-13-H3C(O)CH3
 1071219.2311  0.2985 -5.6053 3 1879.6795F12  595161404942174 1    932173 1      C-13-H3C(O)CH3
 1071225.8788  0.3036 -5.5388 3 1879.6827F12  595161404942074 2    932073 2      C-13-H3C(O)CH3
 1071225.8788  0.3036 -5.5388 3 1879.6827F12  595161404942174 2    932173 2      C-13-H3C(O)CH3
 1071233.2878  0.2793 -5.6962 3 1879.6592F12  595161404942174 0    932173 0      C-13-H3C(O)CH3
 1071233.2878  0.2793 -5.6962 3 1879.6592F12  595161404942074 0    932073 0      C-13-H3C(O)CH3
 1071262.3786  0.2552 -4.9281 3  991.4514968  595161404604021 2    593920 2      C-13-H3C(O)CH3
 1071267.0097  0.0196 -5.6490 3  421.9392324  595161404402615 3    392118 3      C-13-H3C(O)CH3
 1071295.4691  0.0447 -4.3041 3  719.3171840  595161404523122 1    512823 1      C-13-H3C(O)CH3
 1071322.6629  0.0363 -4.3044 3  719.3145840  595161404523122 2    512823 2      C-13-H3C(O)CH3
 1071360.9256  0.1879 -4.8224 3  991.4475968  595161404604021 1    593920 1      C-13-H3C(O)CH3
 1071411.1827  0.1204 -5.5148 3 1496.2174604  595161404754035 4    744134 4      C-13-H3C(O)CH3
 1071411.1854  0.1206 -5.5148 3 1496.2174604  595161404754035 3    744134 3      C-13-H3C(O)CH3
 1071416.3129  2.0551 -5.6169 3 1524.6291C08  595161404754431 2    744530 2      C-13-H3C(O)CH3
 1071425.6742  0.1269 -5.2137 3 1496.2105C08  595161404754035 2    744134 2      C-13-H3C(O)CH3
 1071428.1821  0.1270 -5.2138 3 1496.2061C08  595161404754035 1    744134 1      C-13-H3C(O)CH3
 1071442.6046  0.1322 -5.2137 3 1496.1993C08  595161404754035 0    744134 0      C-13-H3C(O)CH3
 1071449.3544  0.1918 -5.7211 3 1755.7764692  595161404863057 4    853056 4      C-13-H3C(O)CH3
 1071449.3544  0.1918 -5.7211 3 1755.7764692  595161404862957 4    852956 4      C-13-H3C(O)CH3
 1071449.3947  0.1918 -5.7284 3 1755.7763692  595161404862957 3    853056 3      C-13-H3C(O)CH3
 1071449.3947  0.1918 -5.7284 3 1755.7763692  595161404863057 3    852956 3      C-13-H3C(O)CH3
 1071477.0266  0.2210 -5.4252 3 1755.7612D84  595161404862957 1    852956 1      C-13-H3C(O)CH3
 1071477.0266  0.2210 -5.4252 3 1755.7612D84  595161404863057 1    853056 1      C-13-H3C(O)CH3
 1071481.5059  0.2194 -5.4895 3 1755.7649D84  595161404862957 2    852956 2      C-13-H3C(O)CH3
 1071481.5059  0.2194 -5.4895 3 1755.7649D84  595161404863057 2    853056 2      C-13-H3C(O)CH3
 1071500.8761  0.0304 -4.6057 3  719.3062420  595161404523122 4    512823 4      C-13-H3C(O)CH3
 1071509.1126  0.2241 -5.4799 3 1755.7498D84  595161404862957 0    853056 0      C-13-H3C(O)CH3
 1071509.1126  0.2241 -5.4799 3 1755.7498D84  595161404863057 0    852956 0      C-13-H3C(O)CH3
 1071514.6031  0.0298 -4.6057 3  719.3061420  595161404523122 3    512823 3      C-13-H3C(O)CH3
 1071553.3292  0.0437 -5.4880 3  280.0474664  59516140441 338 2    40 239 2      C-13-H3C(O)CH3
 1071553.3292  0.0437 -5.4880 3  280.0474664  59516140441 438 2    40 139 2      C-13-H3C(O)CH3
 1071554.5289  0.0466 -5.5255 3  280.0478664  59516140441 338 1    40 239 1      C-13-H3C(O)CH3
 1071554.5289  0.0466 -5.5255 3  280.0478664  59516140441 438 1    40 139 1      C-13-H3C(O)CH3
 1071608.4764  0.0339 -4.1935 3  991.4035968  595161404604021 0    593920 0      C-13-H3C(O)CH3
 1071620.2262  0.1264 -5.2135 3 1496.2056C08  595161404754135 2    744034 2      C-13-H3C(O)CH3
 1071621.1006  0.1119 -5.5146 3 1496.2121604  595161404754135 4    744034 4      C-13-H3C(O)CH3
 1071621.2065  0.1118 -5.5146 3 1496.2121604  595161404754135 3    744034 3      C-13-H3C(O)CH3
 1071634.7420  0.1420 -5.2135 3 1496.1944C08  595161404754135 0    744034 0      C-13-H3C(O)CH3
 1071635.6672  0.1319 -5.2136 3 1496.2009C08  595161404754135 1    744034 1      C-13-H3C(O)CH3
 1071679.7981  1.6663 -5.6163 3 1524.6184C08  595161404754431 0    744530 0      C-13-H3C(O)CH3
 1071716.8266  0.0159 -5.4602 3  394.3484632  595161404392416 0    381919 0      C-13-H3C(O)CH3
 1071778.0580  0.1096 -4.5383 3  991.4818484  595161404604021 3    593920 3      C-13-H3C(O)CH3
 1071860.4930  0.0159 -5.4588 3  394.3241632  595161404392416 1    381919 1      C-13-H3C(O)CH3
 1071879.6449  0.0161 -5.4599 3  394.3198632  595161404392416 2    381919 2      C-13-H3C(O)CH3
 1071887.8333  0.0357 -4.2818 3  991.4514968  595161404604020 2    593920 2      C-13-H3C(O)CH3
 1071900.2688  0.0394 -4.5216 3  991.5001484  595161404604020 4    593920 4      C-13-H3C(O)CH3
 1071902.9541  0.0357 -4.3098 3  991.4475968  595161404604020 1    593920 1      C-13-H3C(O)CH3
 1072012.0131  0.0459 -5.5059 3  991.4818484  595161404604020 3    593920 3      C-13-H3C(O)CH3
 1072015.9254  0.0157 -5.7592 3  394.2953316  595161404392416 4    381919 4      C-13-H3C(O)CH3
 1072028.2722  0.0156 -5.7592 3  394.2954316  595161404392416 3    381919 3      C-13-H3C(O)CH3
 1072194.2879  0.0332 -4.2808 3  991.4203968  595161404604021 2    593921 2      C-13-H3C(O)CH3
 1072197.0953  0.0276 -4.2469 3  683.6216824  595161404512923 0    502624 0      C-13-H3C(O)CH3
 1072200.7669  0.0339 -4.3089 3  991.4195968  595161404604021 1    593921 1      C-13-H3C(O)CH3
 1072254.0111  0.0423 -5.5057 3  991.4660484  595161404604021 3    593921 3      C-13-H3C(O)CH3
 1072262.8809  0.0389 -4.2468 3  683.6113824  595161404512923 2    502624 2      C-13-H3C(O)CH3
 1072269.4264  0.0293 -4.2467 3  683.6131824  595161404512923 1    502624 1      C-13-H3C(O)CH3
 1072278.0204  0.0285 -4.1819 3  953.7065460  595161404574612 4    564512 4      C-13-H3C(O)CH3
 1072294.4879  0.0260 -5.7363 3  415.7566308  5951614043832 7 4    3729 9 4      C-13-H3C(O)CH3
 1072310.5550  0.0339 -4.1930 3  991.3875968  595161404604020 0    593921 0      C-13-H3C(O)CH3
 1072335.4006  0.0410 -4.5477 3  683.6028412  595161404512923 4    502624 4      C-13-H3C(O)CH3
 1072335.8114  0.2308 -5.8644 3 1894.6881764  595161404952076 4    942075 4      C-13-H3C(O)CH3
 1072335.8114  0.2308 -5.8644 3 1894.6881764  595161404951976 4    941975 4      C-13-H3C(O)CH3
 1072335.8123  0.2308 -5.8763 3 1894.6881764  595161404951976 3    941975 3      C-13-H3C(O)CH3
 1072335.8123  0.2308 -5.8763 3 1894.6881764  595161404952076 3    942075 3      C-13-H3C(O)CH3
 1072336.9583  0.0405 -4.5477 3  683.6028412  595161404512923 3    502624 3      C-13-H3C(O)CH3
 1072339.7683  0.3042 -5.5829 3 1894.6638F28  595161404951976 1    942075 1      C-13-H3C(O)CH3
 1072339.7683  0.3042 -5.5829 3 1894.6638F28  595161404952076 1    941975 1      C-13-H3C(O)CH3
 1072344.4805  0.1978 -5.7880 3 1775.7251700  595161404872959 4    862958 4      C-13-H3C(O)CH3
 1072344.4805  0.1978 -5.7880 3 1775.7251700  595161404872859 4    862858 4      C-13-H3C(O)CH3
 1072344.5174  0.1978 -5.8091 3 1775.7251700  595161404872959 3    862858 3      C-13-H3C(O)CH3
 1072344.5174  0.1978 -5.8091 3 1775.7251700  595161404872859 3    862958 3      C-13-H3C(O)CH3
 1072346.1810  0.3111 -5.5824 3 1894.6667F28  595161404951976 2    941975 2      C-13-H3C(O)CH3
 1072346.1810  0.3111 -5.5824 3 1894.6667F28  595161404952076 2    942075 2      C-13-H3C(O)CH3
 1072350.1414  0.2836 -5.5688 3 1894.6425F28  595161404951976 0    941975 0      C-13-H3C(O)CH3
 1072350.1414  0.2836 -5.5688 3 1894.6425F28  595161404952076 0    942075 0      C-13-H3C(O)CH3
 1072365.9658  0.0438 -4.5199 3  991.4479484  595161404604021 4    593921 4      C-13-H3C(O)CH3
 1072370.9913  0.2310 -5.4700 3 1775.7092E00  595161404872959 1    862858 1      C-13-H3C(O)CH3
 1072370.9913  0.2310 -5.4700 3 1775.7092E00  595161404872859 1    862958 1      C-13-H3C(O)CH3
 1072372.1658  0.0265 -3.8808 3  953.6854920  595161404574612 2    564512 2      C-13-H3C(O)CH3
 1072374.9083  0.0265 -5.7339 3  415.7714308  5951614043832 7 3    3729 9 3      C-13-H3C(O)CH3
 1072375.9772  0.2294 -5.6051 3 1775.7131E00  595161404872859 2    862858 2      C-13-H3C(O)CH3
 1072375.9772  0.2294 -5.6051 3 1775.7131E00  595161404872959 2    862958 2      C-13-H3C(O)CH3
 1072400.7815  0.0282 -4.1819 3  953.7265460  595161404574611 3    564511 3      C-13-H3C(O)CH3
 1072402.4287  0.2323 -5.4690 3 1775.6973E00  595161404872959 0    862858 0      C-13-H3C(O)CH3
 1072402.4287  0.2323 -5.4690 3 1775.6973E00  595161404872859 0    862958 0      C-13-H3C(O)CH3
 1072403.3900  0.0211 -3.8807 3  953.6893920  595161404574612 1    564512 1      C-13-H3C(O)CH3
 1072406.6338  0.0303 -4.1819 3  953.7131460  595161404574612 3    564512 3      C-13-H3C(O)CH3
 1072476.8386  0.0225 -5.4366 3  415.7790616  5951614043832 7 1    3729 9 1      C-13-H3C(O)CH3
 1072486.8989  0.0413 -5.4104 3  280.0003664  59516140441 438 0    40 239 0      C-13-H3C(O)CH3
 1072486.8989  0.0413 -5.4104 3  280.0003664  59516140441 338 0    40 139 0      C-13-H3C(O)CH3
 1072487.9663  0.1156 -4.5378 3  991.4660484  595161404604020 3    593921 3      C-13-H3C(O)CH3
 1072495.2632  0.0241 -3.8807 3  953.7054920  595161404574611 2    564511 2      C-13-H3C(O)CH3
 1072496.6278  0.0214 -5.4385 3  415.7963616  5951614043832 7 2    3729 9 2      C-13-H3C(O)CH3
 1072497.5666  0.0195 -3.8805 3  953.6682920  595161404574611 0    564512 0      C-13-H3C(O)CH3
 1072497.5666  0.0195 -3.8805 3  953.6682920  595161404574612 0    564511 0      C-13-H3C(O)CH3
 1072529.8847  0.0318 -4.1819 3  953.7331460  595161404574611 4    564511 4      C-13-H3C(O)CH3
 1072532.2910  0.0213 -3.8806 3  953.6958920  595161404574611 1    564511 1      C-13-H3C(O)CH3
 1072576.7642  0.0229 -5.4361 3  415.8109616  5951614043832 6 2    3729 8 2      C-13-H3C(O)CH3
 1072682.9039  0.0222 -5.4398 3  415.8183616  5951614043832 7 0    3729 8 0      C-13-H3C(O)CH3
 1072682.9583  0.0222 -5.4398 3  415.8183616  5951614043832 6 0    3729 9 0      C-13-H3C(O)CH3
 1072742.7955  0.2005 -4.8215 3  991.4195968  595161404604020 1    593921 1      C-13-H3C(O)CH3
 1072747.8618  0.0267 -5.7367 3  415.7743308  5951614043832 6 3    3729 8 3      C-13-H3C(O)CH3
 1072819.7426  0.2722 -4.9271 3  991.4203968  595161404604020 2    593921 2      C-13-H3C(O)CH3
 1072825.4072  0.0302 -5.7343 3  415.7890308  5951614043832 6 4    3729 8 4      C-13-H3C(O)CH3
 1072929.9459  0.0236 -5.4370 3  415.7965616  5951614043832 6 1    3729 8 1      C-13-H3C(O)CH3
 1072935.5150  0.0816 -4.0173 3  943.5989436  5951614045453 1 4    5352 1 4      C-13-H3C(O)CH3
 1072952.8478  0.0673 -3.7162 3  943.5439872  5951614045453 2 1    5352 1 1      C-13-H3C(O)CH3
 1072978.1540  0.0380 -4.7997 3  573.0308744  595161404463116 0    452817 0      C-13-H3C(O)CH3
 1073036.3138  0.0773 -5.8839 3 1015.1190984  595161404613922 2    603822 2      C-13-H3C(O)CH3
 1073053.5985  0.0669 -5.8846 3 1015.1190984  595161404613922 1    603822 1      C-13-H3C(O)CH3
 1073072.0365  0.0673 -3.7161 3  943.5417872  5951614045453 1 2    5352 1 2      C-13-H3C(O)CH3
 1073089.3259  0.0683 -3.7160 3  943.4867872  5951614045453 1 0    5352 1 0      C-13-H3C(O)CH3
 1073089.3259  0.0683 -3.7160 3  943.4867872  5951614045453 2 0    5352 2 0      C-13-H3C(O)CH3
 1073098.5312  0.0799 -4.0171 3  943.5677436  5951614045453 2 3    5352 2 3      C-13-H3C(O)CH3
 1073167.2397  0.0761 -4.0171 3  943.5969436  5951614045453 1 3    5352 1 3      C-13-H3C(O)CH3
 1073183.8882  0.0153 -4.1984 3  612.0004792  595161404492425 0    482326 0      C-13-H3C(O)CH3
 1073184.0057  0.0758 -3.7160 3  943.5419872  5951614045453 1 1    5352 2 1      C-13-H3C(O)CH3
 1073188.3959  0.0152 -4.1984 3  612.0004792  595161404492525 0    482226 0      C-13-H3C(O)CH3
 1073200.5425  0.0371 -4.9597 3  573.0152744  595161404463116 1    452817 1      C-13-H3C(O)CH3
 1073234.4528  0.0841 -3.7159 3  943.5105872  5951614045453 2 2    5352 2 2      C-13-H3C(O)CH3
 1073280.4742  0.2036 -5.8178 3 1795.1129708  595161404882861 4    872760 4      C-13-H3C(O)CH3
 1073280.4742  0.2036 -5.8178 3 1795.1129708  595161404882761 4    872860 4      C-13-H3C(O)CH3
 1073280.5075  0.2036 -5.7730 3 1795.1129708  595161404882861 3    872860 3      C-13-H3C(O)CH3
 1073280.5075  0.2036 -5.7730 3 1795.1129708  595161404882761 3    872760 3      C-13-H3C(O)CH3
 1073290.6494  0.0230 -4.1982 3  611.9841792  595161404492425 2    482326 2      C-13-H3C(O)CH3
 1073294.2351  0.0159 -4.1981 3  611.9855792  595161404492425 1    482326 1      C-13-H3C(O)CH3
 1073294.7085  0.0935 -5.6087 3 1015.1449492  595161404613922 4    603822 4      C-13-H3C(O)CH3
 1073295.5473  0.0229 -4.1982 3  611.9840792  595161404492525 2    482226 2      C-13-H3C(O)CH3
 1073299.0592  0.0159 -4.1981 3  611.9855792  595161404492525 1    482226 1      C-13-H3C(O)CH3
 1073302.9546  0.0304 -4.2600 3  964.0949468  595161404584415 4    574315 4      C-13-H3C(O)CH3
 1073305.6385  0.2414 -5.7822 3 1795.0962E16  595161404882861 1    872760 1      C-13-H3C(O)CH3
 1073305.6385  0.2414 -5.7429 3 1795.0962E16  595161404882761 1    872760 1      C-13-H3C(O)CH3
 1073305.6385  0.2414 -5.7822 3 1795.0962E16  595161404882761 1    872860 1      C-13-H3C(O)CH3
 1073305.6385  0.2414 -5.7429 3 1795.0962E16  595161404882861 1    872860 1      C-13-H3C(O)CH3
 1073311.0993  0.2399 -5.4672 3 1795.1002E16  595161404882761 2    872860 2      C-13-H3C(O)CH3
 1073311.0993  0.2399 -5.4672 3 1795.1002E16  595161404882861 2    872760 2      C-13-H3C(O)CH3
 1073329.6516  0.1001 -4.0169 3  943.5656436  5951614045453 2 4    5352 2 4      C-13-H3C(O)CH3
 1073336.2105  0.2406 -5.8452 3 1795.0835E16  595161404882761 0    872760 0      C-13-H3C(O)CH3
 1073336.2105  0.2406 -5.6923 3 1795.0835E16  595161404882861 0    872760 0      C-13-H3C(O)CH3
 1073336.2105  0.2406 -5.8452 3 1795.0835E16  595161404882861 0    872860 0      C-13-H3C(O)CH3
 1073336.2105  0.2406 -5.6923 3 1795.0835E16  595161404882761 0    872860 0      C-13-H3C(O)CH3
 1073401.1671  0.0243 -4.4989 3  611.9691396  595161404492425 3    482326 3      C-13-H3C(O)CH3
 1073401.4204  0.0246 -4.4989 3  611.9690396  595161404492425 4    482326 4      C-13-H3C(O)CH3
 1073406.4106  0.0243 -4.4989 3  611.9691396  595161404492525 3    482226 3      C-13-H3C(O)CH3
 1073406.6424  0.0245 -4.4989 3  611.9690396  595161404492525 4    482226 4      C-13-H3C(O)CH3
 1073410.9364  0.0265 -3.9588 3  964.0672936  595161404584415 2    574315 2      C-13-H3C(O)CH3
 1073443.4355  0.0205 -3.9587 3  964.0618936 -595161404584415 1    574315 1      C-13-H3C(O)CH3
 1073461.2067  0.0310 -4.2599 3  964.1034468  595161404584415 3    574315 3      C-13-H3C(O)CH3
 1073466.8543  0.3847 -5.7111 3  991.4479484  595161404604020 4    593921 4      C-13-H3C(O)CH3
 1073475.7045  0.0280 -4.2598 3  964.1098468  595161404584414 3    574314 3      C-13-H3C(O)CH3
 1073476.2996  0.2343 -5.8735 3 1909.1370772  595161404961978 3    951877 3      C-13-H3C(O)CH3
 1073476.2996  0.2343 -5.8735 3 1909.1370772  595161404961878 3    951977 3      C-13-H3C(O)CH3
 1073476.4765  0.3071 -5.6310 3 1909.1122F44  595161404961878 1    951877 1      C-13-H3C(O)CH3
 1073476.4765  0.3071 -5.6310 3 1909.1122F44  595161404961978 1    951977 1      C-13-H3C(O)CH3
 1073482.5281  0.3160 -5.8378 3 1909.1148F44  595161404961878 2    951877 2      C-13-H3C(O)CH3
 1073482.5281  0.3160 -5.8378 3 1909.1148F44  595161404961978 2    951977 2      C-13-H3C(O)CH3
 1073482.7131  0.2862 -5.7266 3 1909.0900F44  595161404961978 0    951877 0      C-13-H3C(O)CH3
 1073482.7131  0.2862 -5.7266 3 1909.0900F44  595161404961878 0    951977 0      C-13-H3C(O)CH3
 1073518.8628  0.0585 -5.0037 3  573.0076744  595161404463116 2    452817 2      C-13-H3C(O)CH3
 1073518.8873  0.0303 -4.3583 3  976.5654476  595161404594218 4    584117 4      C-13-H3C(O)CH3
 1073541.3226  0.0594 -5.3639 3  572.9929372  595161404463116 4    452817 4      C-13-H3C(O)CH3
 1073551.5331  0.0159 -3.9584 3  964.0341936 -595161404584414 0    574315 0      C-13-H3C(O)CH3
 1073551.5331  0.0159 -3.9584 3  964.0341936 -595161404584415 0    574314 0      C-13-H3C(O)CH3
 1073583.3401  0.0236 -3.9586 3  964.0820936 -595161404584414 2    574314 2      C-13-H3C(O)CH3
 1073602.1481  0.0203 -3.9585 3  964.0702936 -595161404584414 1    574314 1      C-13-H3C(O)CH3
 1073608.7140  0.0250 -4.0570 3  976.5244952  595161404594218 2    584117 2      C-13-H3C(O)CH3
 1073633.4881  0.0240 -4.0570 3  976.5162952  595161404594218 1    584117 1      C-13-H3C(O)CH3
 1073634.2536  0.0312 -4.2597 3  964.1182468  595161404584414 4    574314 4      C-13-H3C(O)CH3
 1073712.7889  0.0321 -4.3585 3  976.5637476  595161404594217 3    584117 3      C-13-H3C(O)CH3
 1073722.3194  0.0179 -4.0565 3  976.4753952  595161404594218 0    584117 0      C-13-H3C(O)CH3
 1073724.6563  0.0179 -4.0565 3  976.4752952  595161404594217 0    584118 0      C-13-H3C(O)CH3
 1073729.7446  0.0136 -5.8521 3  323.0510584  595161404361917 2    351620 2      C-13-H3C(O)CH3
 1073732.9657  0.0326 -4.3583 3  976.5623476  595161404594218 3    584118 3      C-13-H3C(O)CH3
 1073796.0105  0.0117 -5.8525 3  323.0780584  595161404361917 0    351620 0      C-13-H3C(O)CH3
 1073822.9068  0.0264 -4.0564 3  976.5214952  595161404594217 2    584118 2      C-13-H3C(O)CH3
 1073827.4315  0.0233 -4.0566 3  976.5146952  595161404594217 1    584118 1      C-13-H3C(O)CH3
 1073836.0056  0.0130 -5.8504 3  323.0538584  595161404361917 1    351620 1      C-13-H3C(O)CH3
 1073926.9253  0.0389 -4.3574 3  976.5608476  595161404594217 4    584118 4      C-13-H3C(O)CH3
 1073933.3603  0.1777 -5.5292 3 1468.1752596  595161404744133 3    734232 3      C-13-H3C(O)CH3
 1073933.6873  0.1748 -5.5292 3 1468.1752596  595161404744133 4    734232 4      C-13-H3C(O)CH3
 1073956.6273  0.1601 -5.2281 3 1468.1647B92  595161404744133 1    734232 1      C-13-H3C(O)CH3
 1073960.7531  0.0201 -4.2164 3  647.7982808  595161404502624 0    492525 0      C-13-H3C(O)CH3
 1074003.6641  0.1880 -5.2278 3 1468.1693B92  595161404744133 2    734232 2      C-13-H3C(O)CH3
 1074026.3044  0.1582 -5.2278 3 1468.1588B92  595161404744133 0    734232 0      C-13-H3C(O)CH3
 1074036.6070  0.0317 -4.2162 3  647.7853808  595161404502624 2    492525 2      C-13-H3C(O)CH3
 1074044.2406  0.0208 -4.2161 3  647.7869808  595161404502624 1    492525 1      C-13-H3C(O)CH3
 1074072.9184  0.0199 -4.2163 3  647.7980808  595161404502724 0    492425 0      C-13-H3C(O)CH3
 1074076.7222  0.0208 -5.0614 3  466.7703664  595161404413111 0    402812 0      C-13-H3C(O)CH3
 1074082.1731  0.3662 -5.1918 3 1432.3313B76  595161404734232 0    724131 0      C-13-H3C(O)CH3
 1074097.8047  0.0230 -5.0624 3  466.7425664  595161404413111 1    402813 1      C-13-H3C(O)CH3
 1074120.0098  0.0332 -4.5169 3  647.7740404  595161404502624 3    492525 3      C-13-H3C(O)CH3
 1074120.4041  0.0335 -4.5169 3  647.7740404  595161404502624 4    492525 4      C-13-H3C(O)CH3
 1074123.8788  0.0240 -5.3634 3  466.7557332  595161404413111 3    402812 3      C-13-H3C(O)CH3
 1074155.3601  0.0209 -5.0607 3  466.7818664  595161404413110 2    402812 2      C-13-H3C(O)CH3
 1074155.9556  0.0306 -4.2161 3  647.7852808  595161404502724 2    492425 2      C-13-H3C(O)CH3
 1074162.1504  0.0208 -4.2160 3  647.7867808  595161404502724 1    492425 1      C-13-H3C(O)CH3
 1074166.6603  0.3710 -5.1919 3 1432.3390B76  595161404734232 2    724131 2      C-13-H3C(O)CH3
 1074173.3496  0.0207 -5.0614 3  466.7671664  595161404413110 0    402813 0      C-13-H3C(O)CH3
 1074237.5632  0.0212 -5.0622 3  466.7631664  595161404413110 1    402812 1      C-13-H3C(O)CH3
 1074245.5066  0.0321 -4.5169 3  647.7739404  595161404502724 3    492425 3      C-13-H3C(O)CH3
 1074245.5831  0.0324 -4.5169 3  647.7738404  595161404502724 4    492425 4      C-13-H3C(O)CH3
 1074251.3602  0.2094 -5.7888 3 1813.9442716  595161404892763 3    882662 3      C-13-H3C(O)CH3
 1074274.9520  0.2522 -5.4848 3 1813.9267E32  595161404892763 1    882662 1      C-13-H3C(O)CH3
 1074274.9520  0.2522 -5.7320 3 1813.9267E32  595161404892663 1    882762 1      C-13-H3C(O)CH3
 1074274.9520  0.2522 -5.8419 3 1813.9267E32  595161404892663 1    882662 1      C-13-H3C(O)CH3
 1074277.5845  0.0240 -5.3592 3  466.7759332  595161404413110 4    402812 4      C-13-H3C(O)CH3
 1074280.8467  0.2510 -5.7854 3 1813.9307E32  595161404892663 2    882662 2      C-13-H3C(O)CH3
 1074280.8467  0.2510 -5.7817 3 1813.9307E32  595161404892763 2    882662 2      C-13-H3C(O)CH3
 1074280.8467  0.2510 -5.4854 3 1813.9307E32  595161404892663 2    882762 2      C-13-H3C(O)CH3
 1074304.4213  0.2489 -5.5753 3 1813.9132E32  595161404892763 0    882662 0      C-13-H3C(O)CH3
 1074304.4213  0.2489 -5.5753 3 1813.9132E32  595161404892663 0    882762 0      C-13-H3C(O)CH3
 1074321.0530  0.0476 -5.3111 3  573.0152744  595161404463115 1    452817 1      C-13-H3C(O)CH3
 1074331.1876  0.3196 -5.1919 3 1432.3289B76  595161404734232 1    724131 1      C-13-H3C(O)CH3
 1074371.6320  0.0271 -5.3614 3  466.7222332  595161404413111 4    402813 4      C-13-H3C(O)CH3
 1074404.4038  0.0224 -5.0627 3  466.7484664  595161404413111 2    402813 2      C-13-H3C(O)CH3
 1074416.9666  0.2628 -5.4931 3 1432.3366588  595161404734232 4    724131 4      C-13-H3C(O)CH3
 1074417.6037  0.2690 -5.4931 3 1432.3365588  595161404734232 3    724131 3      C-13-H3C(O)CH3
 1074527.5164  0.0248 -5.3652 3  466.7424332  595161404413110 3    402813 3      C-13-H3C(O)CH3
 1074529.7652  0.0715 -5.1651 3  572.9912372  595161404463116 3    452817 3      C-13-H3C(O)CH3
 1074535.0064  0.0094 -4.3033 3  452.9047728  595161404451431 0    441332 0      C-13-H3C(O)CH3
 1074535.0064  0.0094 -4.3028 3  452.9047728  595161404451531 0    441232 0      C-13-H3C(O)CH3
 1074552.7419  0.0123 -4.3071 3  452.8750728  595161404451431 2    441332 2      C-13-H3C(O)CH3
 1074552.7419  0.0123 -4.3071 3  452.8750728  595161404451531 2    441232 2      C-13-H3C(O)CH3
 1074555.6535  0.0124 -4.3968 3  452.8759728  595161404451431 1    441332 1      C-13-H3C(O)CH3
 1074555.6535  0.0124 -5.0032 3  452.8759728  595161404451531 1    441332 1      C-13-H3C(O)CH3
 1074555.6535  0.0124 -4.3968 3  452.8759728  595161404451531 1    441232 1      C-13-H3C(O)CH3
 1074555.6535  0.0124 -5.0032 3  452.8759728  595161404451431 1    441232 1      C-13-H3C(O)CH3
 1074573.1791  0.0133 -4.6042 3  452.8461364  595161404451431 4    441232 4      C-13-H3C(O)CH3
 1074573.1791  0.0133 -4.6042 3  452.8461364  595161404451531 4    441332 4      C-13-H3C(O)CH3
 1074573.4452  0.0133 -4.9038 3  452.8461364  595161404451431 3    441232 3      C-13-H3C(O)CH3
 1074573.4452  0.0133 -4.9014 3  452.8461364  595161404451431 3    441332 3      C-13-H3C(O)CH3
 1074573.4452  0.0133 -4.9038 3  452.8461364  595161404451531 3    441332 3      C-13-H3C(O)CH3
 1074573.4452  0.0133 -4.9014 3  452.8461364  595161404451531 3    441232 3      C-13-H3C(O)CH3
 1074628.6919  0.3068 -5.7529 3 1923.0264F60  595161404971780 1    961879 1      C-13-H3C(O)CH3
 1074628.6919  0.3068 -5.7529 3 1923.0264F60  595161404971880 1    961779 1      C-13-H3C(O)CH3
 1074630.3526  0.2866 -5.7219 3 1923.0036F60  595161404971780 0    961779 0      C-13-H3C(O)CH3
 1074630.3526  0.2866 -5.7219 3 1923.0036F60  595161404971880 0    961879 0      C-13-H3C(O)CH3
 1074634.2601  0.3174 -5.6968 3 1923.0287F60  595161404971780 2    961879 2      C-13-H3C(O)CH3
 1074634.2601  0.3174 -5.6968 3 1923.0287F60  595161404971880 2    961779 2      C-13-H3C(O)CH3
 1074812.0618  0.0131 -5.8518 3  323.0510584  595161404362017 2    351520 2      C-13-H3C(O)CH3
 1074852.0328  0.0116 -5.8521 3  323.0780584  595161404362017 0    351520 0      C-13-H3C(O)CH3
 1074890.6365  0.0126 -5.8500 3  323.0538584  595161404362017 1    351520 1      C-13-H3C(O)CH3
 1074987.9474  0.0503 -4.0620 3  948.2872444  5951614045551 4 4    5450 4 4      C-13-H3C(O)CH3
 1075017.1165  0.0402 -3.7609 3  948.2621888  5951614045551 4 1    5450 4 1      C-13-H3C(O)CH3
 1075023.2567  0.0866 -5.2292 3  573.0076744  595161404463115 2    452817 2      C-13-H3C(O)CH3
 1075074.4297  0.0405 -3.7609 3  948.2451888  5951614045551 4 2    5450 4 2      C-13-H3C(O)CH3
 1075082.7283  0.0513 -4.0619 3  948.2740444  5951614045551 5 3    5450 5 3      C-13-H3C(O)CH3
 1075104.1262  0.0387 -3.7608 3  948.2199888  5951614045551 5 0    5450 4 0      C-13-H3C(O)CH3
 1075104.1262  0.0387 -3.7608 3  948.2199888  5951614045551 4 0    5450 5 0      C-13-H3C(O)CH3
 1075157.1458  0.0495 -4.0619 3  948.2791444  5951614045551 4 3    5450 4 3      C-13-H3C(O)CH3
 1075169.2831  0.0503 -3.7608 3  948.2319888  5951614045551 5 2    5450 5 2      C-13-H3C(O)CH3
 1075186.4607  0.0466 -3.7608 3  948.2540888  5951614045551 5 1    5450 5 1      C-13-H3C(O)CH3
 1075251.4949  0.0655 -4.0618 3  948.2658444  5951614045551 5 4    5450 5 4      C-13-H3C(O)CH3
 1075252.3849  0.2150 -5.8404 3 1832.2231724  595161404902565 4    892564 4      C-13-H3C(O)CH3
 1075252.3849  0.2150 -5.8412 3 1832.2231724  595161404902665 4    892564 4      C-13-H3C(O)CH3
 1075252.4107  0.2150 -5.8158 3 1832.2231724  595161404902665 3    892664 3      C-13-H3C(O)CH3
 1075252.4107  0.2150 -5.8158 3 1832.2231724  595161404902565 3    892564 3      C-13-H3C(O)CH3
 1075274.2516  0.2633 -5.5381 3 1832.2046E48  595161404902565 1    892664 1      C-13-H3C(O)CH3
 1075274.2516  0.2633 -5.5839 3 1832.2046E48  595161404902665 1    892564 1      C-13-H3C(O)CH3
 1075280.5275  0.2626 -5.6885 3 1832.2086E48  595161404902565 2    892664 2      C-13-H3C(O)CH3
 1075280.5275  0.2626 -5.8190 3 1832.2086E48  595161404902565 2    892564 2      C-13-H3C(O)CH3
 1075280.5275  0.2626 -5.7904 3 1832.2086E48  595161404902665 2    892564 2      C-13-H3C(O)CH3
 1075302.3538  0.2573 -5.5364 3 1832.1902E48  595161404902565 0    892564 0      C-13-H3C(O)CH3
 1075302.3538  0.2573 -5.5364 3 1832.1902E48  595161404902665 0    892664 0      C-13-H3C(O)CH3
 1075446.9327  0.5766 -5.1644 3 1396.6914B60  595161404724231 0    714130 0      C-13-H3C(O)CH3
 1075647.0834  0.6351 -5.1645 3 1396.6957B60  595161404724231 2    714130 2      C-13-H3C(O)CH3
 1075792.6286  0.2845 -5.6012 3 1936.3848F76  595161404981782 0    971781 0      C-13-H3C(O)CH3
 1075792.6286  0.2845 -5.6012 3 1936.3848F76  595161404981682 0    971681 0      C-13-H3C(O)CH3
 1075795.9403  0.3026 -5.6757 3 1936.4080F76  595161404981682 1    971681 1      C-13-H3C(O)CH3
 1075795.9403  0.3026 -5.6757 3 1936.4080F76  595161404981782 1    971781 1      C-13-H3C(O)CH3
 1075800.9139  0.3147 -5.8855 3 1936.4099F76  595161404981682 2    971781 2      C-13-H3C(O)CH3
 1075800.9139  0.3147 -5.8855 3 1936.4099F76  595161404981782 2    971681 2      C-13-H3C(O)CH3
 1075927.8343  0.5117 -5.1645 3 1396.6823B60  595161404724231 1    714130 1      C-13-H3C(O)CH3
 1076033.4191  0.0962 -5.4460 3  572.9929372  595161404463115 4    452817 4      C-13-H3C(O)CH3
 1076130.2650  0.4866 -5.4656 3 1396.6865580  595161404724231 4    714130 4      C-13-H3C(O)CH3
 1076131.3423  0.4965 -5.4656 3 1396.6864580  595161404724231 3    714130 3      C-13-H3C(O)CH3
 1076280.0143  0.2206 -5.8626 3 1849.9528732  595161404912467 3    902466 3      C-13-H3C(O)CH3
 1076280.0143  0.2206 -5.8626 3 1849.9528732  595161404912567 3    902566 3      C-13-H3C(O)CH3
 1076299.8737  0.2747 -5.6509 3 1849.9333E64  595161404912567 1    902466 1      C-13-H3C(O)CH3
 1076299.8737  0.2747 -5.6509 3 1849.9333E64  595161404912467 1    902566 1      C-13-H3C(O)CH3
 1076306.4647  0.2746 -5.6970 3 1849.9374E64  595161404912467 2    902566 2      C-13-H3C(O)CH3
 1076306.4647  0.2746 -5.6970 3 1849.9374E64  595161404912567 2    902466 2      C-13-H3C(O)CH3
 1076326.3120  0.2657 -5.5664 3 1849.9180E64  595161404912467 0    902566 0      C-13-H3C(O)CH3
 1076326.3120  0.2657 -5.5664 3 1849.9180E64  595161404912567 0    902466 0      C-13-H3C(O)CH3
 1076561.6047  0.1563 -5.6176 3 1635.3978644  595161404803644 4    793743 4      C-13-H3C(O)CH3
 1076561.6048  0.1563 -5.6176 3 1635.3978644  595161404803744 4    793643 4      C-13-H3C(O)CH3
 1076561.6677  0.1564 -5.6176 3 1635.3978644  595161404803744 3    793643 3      C-13-H3C(O)CH3
 1076561.6677  0.1564 -5.6176 3 1635.3978644  595161404803644 3    793743 3      C-13-H3C(O)CH3
 1076591.5586  0.1494 -5.5977 3 1610.6228636  595161404793742 4    783841 4      C-13-H3C(O)CH3
 1076591.5603  0.1494 -5.5977 3 1610.6228636  595161404793842 4    783741 4      C-13-H3C(O)CH3
 1076591.6239  0.1494 -5.5977 3 1610.6228636  595161404793742 3    783841 3      C-13-H3C(O)CH3
 1076591.6256  0.1494 -5.5977 3 1610.6228636  595161404793842 3    783741 3      C-13-H3C(O)CH3
 1076593.6558  0.1691 -5.3169 3 1635.3896C88  595161404803644 2    793743 2      C-13-H3C(O)CH3
 1076593.6559  0.1691 -5.3169 3 1635.3896C88  595161404803744 2    793643 2      C-13-H3C(O)CH3
 1076593.6656  0.1706 -5.3166 3 1635.3865C88  595161404803644 1    793743 1      C-13-H3C(O)CH3
 1076593.6656  0.1706 -5.3166 3 1635.3865C88  595161404803744 1    793643 1      C-13-H3C(O)CH3
 1076621.8352  0.1611 -5.2968 3 1610.6148C72  595161404793742 2    783841 2      C-13-H3C(O)CH3
 1076621.8365  0.1611 -5.2968 3 1610.6148C72  595161404793842 2    783741 2      C-13-H3C(O)CH3
 1076622.8193  0.1627 -5.2967 3 1610.6116C72  595161404793742 1    783841 1      C-13-H3C(O)CH3
 1076622.8212  0.1627 -5.2967 3 1610.6116C72  595161404793842 1    783741 1      C-13-H3C(O)CH3
 1076625.6093  0.1790 -5.3167 3 1635.3784C88  595161404803644 0    793743 0      C-13-H3C(O)CH3
 1076625.6094  0.1790 -5.3167 3 1635.3784C88  595161404803744 0    793643 0      C-13-H3C(O)CH3
 1076652.9850  0.1709 -5.2967 3 1610.6037C72  595161404793742 0    783841 0      C-13-H3C(O)CH3
 1076652.9864  0.1709 -5.2967 3 1610.6037C72  595161404793842 0    783741 0      C-13-H3C(O)CH3
 1076783.4187  0.1632 -5.6390 3 1659.5184652  595161404813646 4    803545 4      C-13-H3C(O)CH3
 1076783.4187  0.1632 -5.6400 3 1659.5184652  595161404813546 4    803645 4      C-13-H3C(O)CH3
 1076783.4789  0.1633 -5.6393 3 1659.5183652  595161404813546 3    803645 3      C-13-H3C(O)CH3
 1076783.4789  0.1633 -5.6391 3 1659.5183652  595161404813646 3    803545 3      C-13-H3C(O)CH3
 1076815.8037  0.1787 -5.3382 3 1659.5069D04  595161404813546 1    803645 1      C-13-H3C(O)CH3
 1076815.8037  0.1787 -5.3381 3 1659.5069D04  595161404813646 1    803545 1      C-13-H3C(O)CH3
 1076816.5959  0.1773 -5.3383 3 1659.5100D04  595161404813646 2    803545 2      C-13-H3C(O)CH3
 1076816.5959  0.1773 -5.3386 3 1659.5100D04  595161404813546 2    803645 2      C-13-H3C(O)CH3
 1076825.7739  0.0108 -4.2133 3  532.9408760  595161404471928 0    461829 0      C-13-H3C(O)CH3
 1076825.7740  0.0108 -4.2133 3  532.9408760  595161404472028 0    461729 0      C-13-H3C(O)CH3
 1076842.2516  0.0136 -5.0676 3  407.8217356  595161404441233 4    431034 4      C-13-H3C(O)CH3
 1076842.2516  0.0136 -4.9692 3  407.8217356  595161404441233 4    43 934 4      C-13-H3C(O)CH3
 1076842.2516  0.0136 -5.0676 3  407.8217356  595161404441133 4    43 934 4      C-13-H3C(O)CH3
 1076842.2516  0.0136 -4.9692 3  407.8217356  595161404441133 4    431034 4      C-13-H3C(O)CH3
 1076842.7890  0.0133 -4.7202 3  407.8217356  595161404441233 3    43 934 3      C-13-H3C(O)CH3
 1076842.7890  0.0133 -4.7202 3  407.8217356  595161404441133 3    431034 3      C-13-H3C(O)CH3
 1076845.2126  0.0342 -4.1139 3  954.5586452  5951614045649 8 4    5548 8 4      C-13-H3C(O)CH3
 1076848.8782  0.1872 -5.3410 3 1659.4986D04  595161404813646 0    803545 0      C-13-H3C(O)CH3
 1076848.8782  0.1872 -5.3410 3 1659.4986D04  595161404813546 0    803645 0      C-13-H3C(O)CH3
 1076916.3057  0.0273 -3.8128 3  954.5479904  5951614045649 8 1    5548 7 1      C-13-H3C(O)CH3
 1076921.2847  0.0289 -3.8128 3  954.5311904  5951614045649 8 2    5548 8 2      C-13-H3C(O)CH3
 1076925.0535  0.0372 -4.1139 3  954.5656452  5951614045649 7 3    5548 7 3      C-13-H3C(O)CH3
 1076938.1646  0.0140 -4.2130 3  532.9153760  595161404471928 2    461829 2      C-13-H3C(O)CH3
 1076938.1648  0.0140 -4.2130 3  532.9153760  595161404472028 2    461729 2      C-13-H3C(O)CH3
 1076939.8779  0.0122 -4.2129 3  532.9165760  595161404471928 1    461829 1      C-13-H3C(O)CH3
 1076939.8781  0.0122 -4.2129 3  532.9165760  595161404472028 1    461729 1      C-13-H3C(O)CH3
 1076947.9296  0.0134 -4.8169 3  407.8467712  595161404441233 2    431034 2      C-13-H3C(O)CH3
 1076947.9296  0.0134 -4.6319 3  407.8467712  595161404441133 2    431034 2      C-13-H3C(O)CH3
 1076947.9296  0.0134 -4.8169 3  407.8467712  595161404441133 2    43 934 2      C-13-H3C(O)CH3
 1076947.9296  0.0134 -4.6319 3  407.8467712  595161404441233 2    43 934 2      C-13-H3C(O)CH3
 1076951.1052  0.0136 -4.4147 3  407.8474712  595161404441133 1    43 934 1      C-13-H3C(O)CH3
 1076951.1052  0.0136 -4.4147 3  407.8474712  595161404441233 1    431034 1      C-13-H3C(O)CH3
 1076955.8512  0.0460 -5.8781 3 1014.8381984  595161404613923 2    603823 2      C-13-H3C(O)CH3
 1076969.3116  0.2798 -5.6163 3 1949.2353F92  595161404991684 0    981683 0      C-13-H3C(O)CH3
 1076969.3116  0.2798 -5.6163 3 1949.2353F92  595161404991584 0    981583 0      C-13-H3C(O)CH3
 1076970.1387  0.0523 -5.8777 3 1014.8383984  595161404613923 1    603823 1      C-13-H3C(O)CH3
 1076974.7599  0.0362 -4.1139 3  954.5553452  5951614045649 8 3    5548 8 3      C-13-H3C(O)CH3
 1076977.9106  0.2943 -5.6449 3 1949.2585F92  595161404991584 1    981683 1      C-13-H3C(O)CH3
 1076977.9106  0.2943 -5.6449 3 1949.2585F92  595161404991684 1    981583 1      C-13-H3C(O)CH3
 1076979.3329  0.1423 -5.5802 3 1585.1604628  595161404783840 4    773939 4      C-13-H3C(O)CH3
 1076979.3998  0.1423 -5.5802 3 1585.1603628  595161404783840 3    773939 3      C-13-H3C(O)CH3
 1076979.4046  0.1423 -5.5802 3 1585.1603628  595161404783940 4    773839 4      C-13-H3C(O)CH3
 1076979.4716  0.1423 -5.5802 3 1585.1603628  595161404783940 3    773839 3      C-13-H3C(O)CH3
 1076982.1981  0.3073 -5.6983 3 1949.2599F92  595161404991584 2    981583 2      C-13-H3C(O)CH3
 1076982.1981  0.3073 -5.6983 3 1949.2599F92  595161404991684 2    981683 2      C-13-H3C(O)CH3
 1076992.8416  0.0255 -3.8128 3  954.5203904  5951614045649 7 0    5548 7 0      C-13-H3C(O)CH3
 1076992.8416  0.0255 -3.8128 3  954.5203904  5951614045649 8 0    5548 8 0      C-13-H3C(O)CH3
 1077001.6180  0.0347 -3.8129 3  954.5380904  5951614045649 7 2    5548 7 2      C-13-H3C(O)CH3
 1077006.7889  0.1531 -5.2792 3 1585.1526C56  595161404783840 2    773939 2      C-13-H3C(O)CH3
 1077006.8478  0.1531 -5.2792 3 1585.1526C56  595161404783940 2    773839 2      C-13-H3C(O)CH3
 1077009.0574  0.1548 -5.2791 3 1585.1492C56  595161404783840 1    773939 1      C-13-H3C(O)CH3
 1077009.1314  0.1549 -5.2791 3 1585.1492C56  595161404783940 1    773839 1      C-13-H3C(O)CH3
 1077036.4013  0.1628 -5.2791 3 1585.1415C56  595161404783840 0    773939 0      C-13-H3C(O)CH3
 1077036.4622  0.1628 -5.2791 3 1585.1415C56  595161404783940 0    773839 0      C-13-H3C(O)CH3
 1077046.3698  0.0323 -3.8128 3  954.5446904  5951614045649 7 1    5548 8 1      C-13-H3C(O)CH3
 1077052.4579  0.0156 -4.5136 3  532.8910380  595161404471928 3    461829 3      C-13-H3C(O)CH3
 1077052.4582  0.0156 -4.5136 3  532.8910380  595161404472028 3    461729 3      C-13-H3C(O)CH3
 1077052.5508  0.0157 -4.5136 3  532.8910380  595161404471928 4    461829 4      C-13-H3C(O)CH3
 1077052.5511  0.0157 -4.5136 3  532.8910380  595161404472028 4    461729 4      C-13-H3C(O)CH3
 1077054.7329  0.0475 -4.1139 3  954.5623452  5951614045649 7 4    5548 7 4      C-13-H3C(O)CH3
 1077056.1070  0.0112 -4.7272 3  407.8724712  595161404441133 0    43 934 0      C-13-H3C(O)CH3
 1077056.1070  0.0112 -4.7024 3  407.8724712  595161404441233 0    43 934 0      C-13-H3C(O)CH3
 1077056.1070  0.0112 -4.5645 3  407.8724712  595161404441233 0    431034 0      C-13-H3C(O)CH3
 1077056.1070  0.0112 -4.9461 3  407.8724712  595161404441133 0    431034 0      C-13-H3C(O)CH3
 1077064.9664  0.0444 -5.6023 3 1014.8620492  595161404613923 4    603823 4      C-13-H3C(O)CH3
 1077189.2797  0.1701 -5.6614 3 1683.0085660  595161404823448 4    813447 4      C-13-H3C(O)CH3
 1077189.2797  0.1701 -5.6614 3 1683.0085660  595161404823548 4    813547 4      C-13-H3C(O)CH3
 1077189.3369  0.1701 -5.7830 3 1683.0085660  595161404823448 3    813447 3      C-13-H3C(O)CH3
 1077189.3369  0.1701 -5.7830 3 1683.0085660  595161404823548 3    813547 3      C-13-H3C(O)CH3
 1077221.6546  0.1870 -5.3823 3 1682.9968D20  595161404823548 1    813547 1      C-13-H3C(O)CH3
 1077221.6546  0.1870 -5.3823 3 1682.9968D20  595161404823448 1    813447 1      C-13-H3C(O)CH3
 1077223.1499  0.1855 -5.4758 3 1683.0000D20  595161404823548 2    813547 2      C-13-H3C(O)CH3
 1077223.1499  0.1855 -5.3664 3 1683.0000D20  595161404823548 2    813447 2      C-13-H3C(O)CH3
 1077255.4272  0.1954 -5.8429 3 1682.9883D20  595161404823448 0    813547 0      C-13-H3C(O)CH3
 1077255.4272  0.1954 -5.5335 3 1682.9883D20  595161404823548 0    813547 0      C-13-H3C(O)CH3
 1077255.4272  0.1954 -5.8429 3 1682.9883D20  595161404823548 0    813447 0      C-13-H3C(O)CH3
 1077255.4272  0.1954 -5.5335 3 1682.9883D20  595161404823448 0    813447 0      C-13-H3C(O)CH3
 1077331.2951  0.2261 -5.8751 3 1867.1364740  595161404922369 4    912468 4      C-13-H3C(O)CH3
 1077331.2951  0.2261 -5.8751 3 1867.1364740  595161404922469 4    912368 4      C-13-H3C(O)CH3
 1077331.3130  0.2261 -5.8464 3 1867.1363740  595161404922369 3    912368 3      C-13-H3C(O)CH3
 1077348.9386  0.2860 -5.5873 3 1867.1159E80  595161404922369 1    912468 1      C-13-H3C(O)CH3
 1077348.9386  0.2860 -5.5873 3 1867.1159E80  595161404922469 1    912368 1      C-13-H3C(O)CH3
 1077355.7642  0.2869 -5.6448 3 1867.1199E80  595161404922469 2    912468 2      C-13-H3C(O)CH3
 1077355.7642  0.2869 -5.6448 3 1867.1199E80  595161404922369 2    912368 2      C-13-H3C(O)CH3
 1077373.3804  0.2739 -5.5983 3 1867.0995E80  595161404922369 0    912468 0      C-13-H3C(O)CH3
 1077373.3804  0.2739 -5.5983 3 1867.0995E80  595161404922469 0    912368 0      C-13-H3C(O)CH3
 1077665.3003  0.2364 -5.2241 3 1468.0695B92  595161404744233 0    734132 0      C-13-H3C(O)CH3
 1077690.1416  0.2134 -5.2241 3 1468.0789B92  595161404744233 2    734132 2      C-13-H3C(O)CH3
 1077733.7863  0.1769 -5.6898 3 1705.8863668  595161404833350 4    823349 4      C-13-H3C(O)CH3
 1077733.7863  0.1769 -5.6898 3 1705.8863668  595161404833450 4    823449 4      C-13-H3C(O)CH3
 1077733.8405  0.1770 -5.6998 3 1705.8863668  595161404833450 3    823349 3      C-13-H3C(O)CH3
 1077733.8405  0.1770 -5.6848 3 1705.8863668  595161404833350 3    823449 3      C-13-H3C(O)CH3
 1077765.8981  0.1955 -5.4181 3 1705.8743D36  595161404833450 1    823449 1      C-13-H3C(O)CH3
 1077765.8981  0.1955 -5.4181 3 1705.8743D36  595161404833350 1    823349 1      C-13-H3C(O)CH3
 1077768.0378  0.1940 -5.3882 3 1705.8776D36  595161404833350 2    823349 2      C-13-H3C(O)CH3
 1077768.0378  0.1940 -5.5041 3 1705.8776D36  595161404833450 2    823449 2      C-13-H3C(O)CH3
 1077778.6136  0.2042 -5.2242 3 1468.0711B92  595161404744233 1    734132 1      C-13-H3C(O)CH3
 1077800.0577  0.2036 -5.3854 3 1705.8657D36  595161404833450 0    823449 0      C-13-H3C(O)CH3
 1077800.0577  0.2036 -5.3854 3 1705.8657D36  595161404833350 0    823349 0      C-13-H3C(O)CH3
 1077803.9247  0.1397 -5.5253 3 1468.0805596  595161404744233 4    734132 4      C-13-H3C(O)CH3
 1077804.2928  0.1427 -5.5253 3 1468.0805596  595161404744233 3    734132 3      C-13-H3C(O)CH3
 1077901.7638  0.1347 -5.5663 3 1558.9628620  595161404773938 4    764037 4      C-13-H3C(O)CH3
 1077901.8292  0.1348 -5.5663 3 1558.9628620  595161404773938 3    764037 3      C-13-H3C(O)CH3
 1077904.2118  0.1345 -5.5663 3 1558.9627620  595161404774038 4    763937 4      C-13-H3C(O)CH3
 1077904.2801  0.1346 -5.5663 3 1558.9627620  595161404774038 3    763937 3      C-13-H3C(O)CH3
 1077924.6499  0.1448 -5.2653 3 1558.9554C40  595161404773938 2    764037 2      C-13-H3C(O)CH3
 1077926.7933  0.1447 -5.2653 3 1558.9554C40  595161404774038 2    763937 2      C-13-H3C(O)CH3
 1077928.6977  0.1469 -5.2653 3 1558.9518C40  595161404773938 1    764037 1      C-13-H3C(O)CH3
 1077931.1576  0.1470 -5.2653 3 1558.9517C40  595161404774038 1    763937 1      C-13-H3C(O)CH3
 1077951.4778  0.1546 -5.2653 3 1558.9445C40  595161404773938 0    764037 0      C-13-H3C(O)CH3
 1077953.6289  0.1549 -5.2652 3 1558.9444C40  595161404774038 0    763937 0      C-13-H3C(O)CH3
 1078160.3656  0.2725 -5.6661 3 1961.5567G08  595161404A01586 0    991585 0      C-13-H3C(O)CH3
 1078160.3656  0.2725 -5.6661 3 1961.5567G08  595161404A01486 0    991485 0      C-13-H3C(O)CH3
 1078174.4343  0.2822 -5.6287 3 1961.5792G08  595161404A01586 1    991585 1      C-13-H3C(O)CH3
 1078174.4343  0.2822 -5.6287 3 1961.5792G08  595161404A01486 1    991485 1      C-13-H3C(O)CH3
 1078314.5471  0.0163 -4.9340 3  362.1312348  59516140443 935 4    42 736 4      C-13-H3C(O)CH3
 1078314.5471  0.0163 -4.9340 3  362.1312348  59516140443 835 4    42 636 4      C-13-H3C(O)CH3
 1078315.2623  0.0155 -5.2945 3  362.1311348  59516140443 835 3    42 636 3      C-13-H3C(O)CH3
 1078315.2623  0.0155 -5.2945 3  362.1311348  59516140443 935 3    42 736 3      C-13-H3C(O)CH3
 1078315.2623  0.0155 -5.1270 3  362.1311348  59516140443 935 3    42 636 3      C-13-H3C(O)CH3
 1078315.2623  0.0155 -5.1270 3  362.1311348  59516140443 835 3    42 736 3      C-13-H3C(O)CH3
 1078385.3581  0.1837 -5.7390 3 1728.1659676  595161404843352 4    833351 4      C-13-H3C(O)CH3
 1078385.3581  0.1837 -5.7766 3 1728.1659676  595161404843252 4    833351 4      C-13-H3C(O)CH3
 1078385.4092  0.1837 -5.8708 3 1728.1659676  595161404843252 3    833251 3      C-13-H3C(O)CH3
 1078417.0009  0.2043 -5.4198 3 1728.1535D52  595161404843352 1    833351 1      C-13-H3C(O)CH3
 1078417.0009  0.2043 -5.4198 3 1728.1535D52  595161404843252 1    833251 1      C-13-H3C(O)CH3
 1078419.1793  0.2969 -5.5672 3 1883.7549E96  595161404932371 1    922370 1      C-13-H3C(O)CH3
 1078419.1793  0.2969 -5.5672 3 1883.7549E96  595161404932271 1    922270 1      C-13-H3C(O)CH3
 1078419.7496  0.2027 -5.4155 3 1728.1570D52  595161404843352 2    833351 2      C-13-H3C(O)CH3
 1078419.7496  0.2027 -5.4155 3 1728.1570D52  595161404843252 2    833251 2      C-13-H3C(O)CH3
 1078426.1443  0.2992 -5.6985 3 1883.7588E96  595161404932371 2    922270 2      C-13-H3C(O)CH3
 1078426.1443  0.2992 -5.6985 3 1883.7588E96  595161404932271 2    922370 2      C-13-H3C(O)CH3
 1078441.2540  0.2818 -5.5740 3 1883.7373E96  595161404932271 0    922370 0      C-13-H3C(O)CH3
 1078441.2540  0.2818 -5.5740 3 1883.7373E96  595161404932371 0    922270 0      C-13-H3C(O)CH3
 1078442.3945  0.0294 -4.1748 3  962.5104460  595161404574711 4    564611 4      C-13-H3C(O)CH3
 1078451.3061  0.2118 -5.5285 3 1728.1446D52  595161404843252 0    833351 0      C-13-H3C(O)CH3
 1078451.3061  0.2118 -5.5285 3 1728.1446D52  595161404843352 0    833251 0      C-13-H3C(O)CH3
 1078533.8200  0.0274 -3.8737 3  962.4902920  595161404574711 2    564611 2      C-13-H3C(O)CH3
 1078547.5567  0.0308 -4.1748 3  962.5303460  595161404574710 3    564610 3      C-13-H3C(O)CH3
 1078558.8098  0.0230 -3.8736 3  962.4981920  595161404574711 1    564611 1      C-13-H3C(O)CH3
 1078564.5333  0.0319 -4.1748 3  962.5160460  595161404574711 3    564611 3      C-13-H3C(O)CH3
 1078628.4621  0.0140 -4.8324 3  362.1429696  59516140443 935 2    42 736 2      C-13-H3C(O)CH3
 1078628.4621  0.0140 -4.9834 3  362.1429696  59516140443 935 2    42 636 2      C-13-H3C(O)CH3
 1078628.4621  0.0140 -4.9834 3  362.1429696  59516140443 835 2    42 736 2      C-13-H3C(O)CH3
 1078628.4621  0.0140 -4.8324 3  362.1429696  59516140443 835 2    42 636 2      C-13-H3C(O)CH3
 1078631.2177  0.0145 -4.7848 3  362.1434696  59516140443 835 1    42 636 1      C-13-H3C(O)CH3
 1078631.2177  0.0145 -4.7848 3  362.1434696  59516140443 935 1    42 736 1      C-13-H3C(O)CH3
 1078631.2177  0.0145 -5.0613 3  362.1434696  59516140443 835 1    42 736 1      C-13-H3C(O)CH3
 1078631.2177  0.0145 -5.0613 3  362.1434696  59516140443 935 1    42 636 1      C-13-H3C(O)CH3
 1078639.4190  0.0273 -3.8737 3  962.5100920  595161404574710 2    564610 2      C-13-H3C(O)CH3
 1078650.3808  0.0215 -3.8735 3  962.4778920  595161404574710 0    564610 0      C-13-H3C(O)CH3
 1078650.3808  0.0215 -3.8735 3  962.4778920  595161404574711 0    564611 0      C-13-H3C(O)CH3
 1078670.1555  0.0367 -4.1748 3  962.5358460  595161404574710 4    564610 4      C-13-H3C(O)CH3
 1078681.3513  0.0247 -3.8736 3  962.5036920  595161404574710 1    564610 1      C-13-H3C(O)CH3
 1078806.6069  0.1022 -4.0206 3  954.2225436  5951614045454 0 4    5353 0 4      C-13-H3C(O)CH3
 1078839.4587  0.0854 -3.7195 3  954.1551872  5951614045454 1 1    5353 1 1      C-13-H3C(O)CH3
 1078943.9045  0.0131 -4.7041 3  362.1551696  59516140443 835 0    42 736 0      C-13-H3C(O)CH3
 1078943.9045  0.0131 -5.2717 3  362.1551696  59516140443 835 0    42 636 0      C-13-H3C(O)CH3
 1078943.9045  0.0131 -4.7041 3  362.1551696  59516140443 935 0    42 636 0      C-13-H3C(O)CH3
 1078943.9045  0.0131 -5.2717 3  362.1551696  59516140443 935 0    42 736 0      C-13-H3C(O)CH3
 1078976.7650  0.0852 -3.7194 3  954.1632872  5951614045454 0 2    5353 0 2      C-13-H3C(O)CH3
 1079007.7759  0.0977 -4.0204 3  954.1900436  5951614045454 1 3    5353 1 3      C-13-H3C(O)CH3
 1079009.2115  0.0906 -3.7192 3  954.0960872  5951614045454 1 0    5353 1 0      C-13-H3C(O)CH3
 1079009.2115  0.0906 -3.7192 3  954.0960872  5951614045454 0 0    5353 0 0      C-13-H3C(O)CH3
 1079058.6325  0.0921 -4.0205 3  954.2286436  5951614045454 0 3    5353 0 3      C-13-H3C(O)CH3
 1079090.7286  0.0949 -3.7193 3  954.1613872  5951614045454 0 1    5353 0 1      C-13-H3C(O)CH3
 1079121.4373  0.1904 -5.7380 3 1749.8584684  595161404853254 3    843153 3      C-13-H3C(O)CH3
 1079121.4373  0.1904 -5.7380 3 1749.8584684  595161404853154 3    843253 3      C-13-H3C(O)CH3
 1079152.3835  0.2133 -5.5085 3 1749.8454D68  595161404853154 1    843153 1      C-13-H3C(O)CH3
 1079152.3835  0.2133 -5.5085 3 1749.8454D68  595161404853254 1    843253 1      C-13-H3C(O)CH3
 1079155.7183  0.2117 -5.4420 3 1749.8490D68  595161404853254 2    843153 2      C-13-H3C(O)CH3
 1079155.7183  0.2117 -5.4420 3 1749.8490D68  595161404853154 2    843253 2      C-13-H3C(O)CH3
 1079177.2006  0.1064 -3.7191 3  954.1308872  5951614045454 1 2    5353 1 2      C-13-H3C(O)CH3
 1079180.3993  0.0258 -5.3341 3  315.8071340  59516140442 537 4    41 338 4      C-13-H3C(O)CH3
 1079180.3993  0.0258 -5.3341 3  315.8071340  59516140442 637 4    41 438 4      C-13-H3C(O)CH3
 1079180.8285  0.0242 -5.3600 3  315.8071340  59516140442 537 3    41 338 3      C-13-H3C(O)CH3
 1079180.8285  0.0242 -5.4014 3  315.8071340  59516140442 637 3    41 338 3      C-13-H3C(O)CH3
 1079180.8285  0.0242 -5.7542 3  315.8071340  59516140442 637 3    41 438 3      C-13-H3C(O)CH3
 1079180.8285  0.0242 -5.8651 3  315.8071340  59516140442 537 3    41 438 3      C-13-H3C(O)CH3
 1079186.6318  0.2201 -5.4439 3 1749.8361D68  595161404853154 0    843253 0      C-13-H3C(O)CH3
 1079186.6318  0.2201 -5.4598 3 1749.8361D68  595161404853254 0    843153 0      C-13-H3C(O)CH3
 1079259.4133  0.1195 -4.0202 3  954.1961436  5951614045454 1 4    5353 1 4      C-13-H3C(O)CH3
 1079412.0974  0.1982 -5.7797 3  998.0095968  595161404604120 1    594019 1      C-13-H3C(O)CH3
 1079496.5051  0.2368 -5.8825 3 1899.8752756  595161404942273 3    932272 3      C-13-H3C(O)CH3
 1079496.5051  0.2368 -5.8825 3 1899.8752756  595161404942173 3    932172 3      C-13-H3C(O)CH3
 1079508.8129  0.3071 -5.6413 3 1899.8527F12  595161404942273 1    932172 1      C-13-H3C(O)CH3
 1079508.8129  0.3071 -5.6413 3 1899.8527F12  595161404942173 1    932272 1      C-13-H3C(O)CH3
 1079515.8083  0.3108 -5.6399 3 1899.8564F12  595161404942273 2    932272 2      C-13-H3C(O)CH3
 1079515.8083  0.3108 -5.6399 3 1899.8564F12  595161404942173 2    932172 2      C-13-H3C(O)CH3
 1079517.9364  0.0347 -4.4567 3  998.0633484  595161404604119 4    594019 4      C-13-H3C(O)CH3
 1079528.1124  0.2891 -5.6846 3 1899.8340F12  595161404942173 0    932172 0      C-13-H3C(O)CH3
 1079528.1124  0.2891 -5.6846 3 1899.8340F12  595161404942273 0    932272 0      C-13-H3C(O)CH3
 1079572.5879  0.0283 -4.1591 3  998.0153968  595161404604119 2    594019 2      C-13-H3C(O)CH3
 1079592.8050  0.0293 -4.1640 3  998.0095968  595161404604119 1    594019 1      C-13-H3C(O)CH3
 1079604.6753  0.0262 -4.1533 3  997.9626968  595161404604120 0    594019 0      C-13-H3C(O)CH3
 1079625.8244  0.2835 -5.2692 3  998.0506484  595161404604120 3    594019 3      C-13-H3C(O)CH3
 1079657.3006  0.0314 -4.2474 3  972.2706468  595161404584514 4    574414 4      C-13-H3C(O)CH3
 1079660.0923  0.1271 -5.5587 3 1531.9576612  595161404764036 4    754135 4      C-13-H3C(O)CH3
 1079660.1346  0.1272 -5.5587 3 1531.9575612  595161404764036 3    754135 3      C-13-H3C(O)CH3
 1079676.9959  0.1357 -5.2576 3 1531.9510C24  595161404764036 2    754135 2      C-13-H3C(O)CH3
 1079682.0537  0.1376 -5.2576 3 1531.9468C24  595161404764036 1    754135 1      C-13-H3C(O)CH3
 1079694.5698  0.0262 -4.1533 3  997.9605968  595161404604119 0    594020 0      C-13-H3C(O)CH3
 1079698.8762  0.1447 -5.2576 3 1531.9403C24  595161404764036 0    754135 0      C-13-H3C(O)CH3
 1079719.5642  0.0437 -4.5265 3  998.0506484  595161404604119 3    594019 3      C-13-H3C(O)CH3
 1079726.8489  0.1237 -5.5586 3 1531.9559612  595161404764136 4    754035 4      C-13-H3C(O)CH3
 1079726.9321  0.1237 -5.5586 3 1531.9558612  595161404764136 3    754035 3      C-13-H3C(O)CH3
 1079738.1092  0.1355 -5.2576 3 1531.9494C24  595161404764136 2    754035 2      C-13-H3C(O)CH3
 1079748.3337  0.1399 -5.2576 3 1531.9451C24  595161404764136 1    754035 1      C-13-H3C(O)CH3
 1079748.8641  0.0448 -4.5264 3  998.0465484  595161404604120 3    594020 3      C-13-H3C(O)CH3
 1079759.4965  0.1490 -5.2575 3 1531.9388C24  595161404764136 0    754035 0      C-13-H3C(O)CH3
 1079768.1298  0.0284 -3.9462 3  972.2472936  595161404584514 2    574414 2      C-13-H3C(O)CH3
 1079799.5929  0.0308 -4.1584 3  997.9988968  595161404604120 2    594020 2      C-13-H3C(O)CH3
 1079800.8562  0.0217 -3.9461 3  972.2448936  595161404584514 1    574414 1      C-13-H3C(O)CH3
 1079802.0579  0.0322 -4.2473 3  972.2811468  595161404584514 3    574414 3      C-13-H3C(O)CH3
 1079802.8591  0.0284 -4.1634 3  997.9965968  595161404604120 1    594020 1      C-13-H3C(O)CH3
 1079809.9425  0.0288 -4.2473 3  972.2905468  595161404584513 3    574413 3      C-13-H3C(O)CH3
 1079818.1365  0.0213 -5.2352 3  315.7906680  59516140442 537 2    41 338 2      C-13-H3C(O)CH3
 1079818.1365  0.0213 -5.2352 3  315.7906680  59516140442 637 2    41 438 2      C-13-H3C(O)CH3
 1079818.1365  0.0213 -5.2471 3  315.7906680  59516140442 637 2    41 338 2      C-13-H3C(O)CH3
 1079818.1365  0.0213 -5.2471 3  315.7906680  59516140442 537 2    41 438 2      C-13-H3C(O)CH3
 1079819.8906  0.0235 -5.0022 3  315.7910680  59516140442 537 1    41 338 1      C-13-H3C(O)CH3
 1079819.8906  0.0235 -5.8163 3  315.7910680  59516140442 537 1    41 438 1      C-13-H3C(O)CH3
 1079819.8906  0.0235 -5.8163 3  315.7910680  59516140442 637 1    41 338 1      C-13-H3C(O)CH3
 1079819.8906  0.0235 -5.0022 3  315.7910680  59516140442 637 1    41 438 1      C-13-H3C(O)CH3
 1079842.6039  0.2865 -5.2691 3  998.0465484  595161404604119 3    594020 3      C-13-H3C(O)CH3
 1079911.6638  0.0186 -3.9459 3  972.2214936  595161404584514 0    574413 0      C-13-H3C(O)CH3
 1079911.6640  0.0186 -3.9459 3  972.2214936  595161404584513 0    574414 0      C-13-H3C(O)CH3
 1079920.9459  0.0246 -3.9460 3  972.2671936  595161404584513 2    574413 2      C-13-H3C(O)CH3
 1079925.3251  0.1970 -5.7551 3 1770.9727692  595161404863056 4    853055 4      C-13-H3C(O)CH3
 1079925.3251  0.1970 -5.7551 3 1770.9727692  595161404863156 4    853155 4      C-13-H3C(O)CH3
 1079925.3698  0.1970 -5.8637 3 1770.9726692  595161404863056 3    853055 3      C-13-H3C(O)CH3
 1079925.3698  0.1970 -5.8637 3 1770.9726692  595161404863156 3    853155 3      C-13-H3C(O)CH3
 1079945.7108  0.0212 -3.9460 3  972.2553936  595161404584513 1    574413 1      C-13-H3C(O)CH3
 1079950.5665  0.0451 -4.4554 3  998.0340484  595161404604120 4    594020 4      C-13-H3C(O)CH3
 1079955.0854  0.0316 -4.2472 3  972.3010468  595161404584513 4    574413 4      C-13-H3C(O)CH3
 1079955.5036  0.2227 -5.6146 3 1770.9591D84  595161404863056 1    853055 1      C-13-H3C(O)CH3
 1079955.5036  0.2227 -5.6146 3 1770.9591D84  595161404863156 1    853155 1      C-13-H3C(O)CH3
 1079959.4071  0.2210 -5.4905 3 1770.9629D84  595161404863156 2    853155 2      C-13-H3C(O)CH3
 1079959.4071  0.2210 -5.4905 3 1770.9629D84  595161404863056 2    853055 2      C-13-H3C(O)CH3
 1079983.5668  0.2103 -5.7793 3  997.9965968  595161404604119 1    594020 1      C-13-H3C(O)CH3
 1079989.5110  0.2283 -5.4671 3 1770.9494D84  595161404863056 0    853055 0      C-13-H3C(O)CH3
 1079989.5110  0.2283 -5.4671 3 1770.9494D84  595161404863156 0    853155 0      C-13-H3C(O)CH3
 1080231.7789  0.0318 -4.3369 3  984.0218476  595161404594317 4    584217 4      C-13-H3C(O)CH3
 1080241.5657  0.0224 -4.9996 3  486.6908680  595161404423112 0    412813 0      C-13-H3C(O)CH3
 1080340.2641  0.0267 -4.0355 3  983.9866952  595161404594317 2    584217 2      C-13-H3C(O)CH3
 1080367.1648  0.0232 -4.0354 3  983.9787952  595161404594317 1    584217 1      C-13-H3C(O)CH3
 1080414.5551  0.0328 -4.3366 3  984.0271476  595161404594317 3    584217 3      C-13-H3C(O)CH3
 1080432.5298  0.0316 -4.3365 3  984.0282476  595161404594316 3    584216 3      C-13-H3C(O)CH3
 1080455.9605  0.0199 -4.9846 3  315.7746680  59516140442 537 0    41 438 0      C-13-H3C(O)CH3
 1080455.9605  0.0199 -4.9846 3  315.7746680  59516140442 637 0    41 338 0      C-13-H3C(O)CH3
 1080475.7089  0.0164 -4.0351 3  983.9435952 -595161404594317 0    584216 0      C-13-H3C(O)CH3
 1080475.7089  0.0164 -4.0351 3  983.9435952 -595161404594316 0    584217 0      C-13-H3C(O)CH3
 1080512.3366  0.0223 -5.0249 3  486.6849680  595161404423111 1    412813 1      C-13-H3C(O)CH3
 1080522.0248  0.0217 -5.0089 3  486.7019680  595161404423111 2    412813 2      C-13-H3C(O)CH3
 1080528.3253  0.0248 -5.0251 3  486.6584680  595161404423112 1    412814 1      C-13-H3C(O)CH3
 1080536.0534  0.4628 -5.6086 3 1475.0936596  595161404744232 3    734331 3      C-13-H3C(O)CH3
 1080536.7672  0.4532 -5.6086 3 1475.0936596  595161404744232 4    734331 4      C-13-H3C(O)CH3
 1080537.9135  0.0260 -5.3511 3  486.6784340  595161404423111 3    412813 3      C-13-H3C(O)CH3
 1080541.0838  0.0268 -4.0351 3  983.9929952  595161404594316 2    584216 2      C-13-H3C(O)CH3
 1080549.9070  0.0233 -4.0352 3  983.9840952  595161404594316 1    584216 1      C-13-H3C(O)CH3
 1080614.7165  0.4301 -5.3074 3 1475.0835B92  595161404744232 1    734331 1      C-13-H3C(O)CH3
 1080615.4260  0.0377 -4.3362 3  984.0334476  595161404594316 4    584216 4      C-13-H3C(O)CH3
 1080616.4440  0.3158 -5.6671 3 1915.4115F28  595161404952175 1    942074 1      C-13-H3C(O)CH3
 1080616.4440  0.3158 -5.6671 3 1915.4115F28  595161404952075 1    942174 1      C-13-H3C(O)CH3
 1080619.4982  0.0222 -4.9994 3  486.6782680  595161404423111 0    412814 0      C-13-H3C(O)CH3
 1080623.3489  0.3213 -5.6228 3 1915.4150F28  595161404952175 2    942074 2      C-13-H3C(O)CH3
 1080623.3489  0.3213 -5.6228 3 1915.4150F28  595161404952075 2    942174 2      C-13-H3C(O)CH3
 1080632.5264  0.2954 -5.6220 3 1915.3916F28  595161404952175 0    942174 0      C-13-H3C(O)CH3
 1080632.5264  0.2954 -5.6220 3 1915.3916F28  595161404952075 0    942074 0      C-13-H3C(O)CH3
 1080666.9319  0.0232 -5.3021 3  486.7001340  595161404423111 4    412813 4      C-13-H3C(O)CH3
 1080784.8159  0.2034 -5.8780 3 1791.5161700  595161404873058 4    863057 4      C-13-H3C(O)CH3
 1080784.8159  0.2034 -5.8780 3 1791.5161700  595161404872958 4    862957 4      C-13-H3C(O)CH3
 1080784.8573  0.2034 -5.8121 3 1791.5160700  595161404873058 3    863057 3      C-13-H3C(O)CH3
 1080784.8573  0.2034 -5.8121 3 1791.5160700  595161404872958 3    862957 3      C-13-H3C(O)CH3
 1080813.6759  0.5407 -5.3067 3 1475.0869B92  595161404744232 2    734331 2      C-13-H3C(O)CH3
 1080814.0151  0.2325 -5.4913 3 1791.5018E00  595161404873058 1    862957 1      C-13-H3C(O)CH3
 1080814.0151  0.2325 -5.4913 3 1791.5018E00  595161404872958 1    863057 1      C-13-H3C(O)CH3
 1080818.4706  0.2308 -5.5204 3 1791.5057E00  595161404872958 2    863057 2      C-13-H3C(O)CH3
 1080818.4706  0.2308 -5.5204 3 1791.5057E00  595161404873058 2    862957 2      C-13-H3C(O)CH3
 1080847.6012  0.2366 -5.4849 3 1791.4915E00  595161404872958 0    863057 0      C-13-H3C(O)CH3
 1080847.6012  0.2366 -5.4849 3 1791.4915E00  595161404873058 0    862957 0      C-13-H3C(O)CH3
 1080867.0425  0.0246 -5.0107 3  486.6612680  595161404423112 2    412814 2      C-13-H3C(O)CH3
 1080890.7088  0.4507 -5.3064 3 1475.0768B92  595161404744232 0    734331 0      C-13-H3C(O)CH3
 1080904.6816  0.0300 -5.3041 3  486.6368340  595161404423112 4    412814 4      C-13-H3C(O)CH3
 1080921.1503  0.0628 -4.0630 3  958.4246444  5951614045552 3 4    5451 3 4      C-13-H3C(O)CH3
 1080945.9372  0.0505 -3.7620 3  958.3912888  5951614045552 4 1    5451 3 1      C-13-H3C(O)CH3
 1081025.5983  0.0508 -3.7619 3  958.3781888  5951614045552 3 2    5451 3 2      C-13-H3C(O)CH3
 1081032.8947  0.0619 -4.0629 3  958.4058444  5951614045552 4 3    5451 4 3      C-13-H3C(O)CH3
 1081034.8501  0.0264 -5.3527 3  486.6586340  595161404423112 3    412814 3      C-13-H3C(O)CH3
 1081050.7686  0.0497 -3.7618 3  958.3447888  5951614045552 3 0    5451 4 0      C-13-H3C(O)CH3
 1081050.7686  0.0497 -3.7618 3  958.3447888  5951614045552 4 0    5451 3 0      C-13-H3C(O)CH3
 1081108.1749  0.0597 -4.0629 3  958.4190444  5951614045552 3 3    5451 3 3      C-13-H3C(O)CH3
 1081123.2955  0.0748 -4.5854 3  713.7345420  595161404522923 3    512824 3      C-13-H3C(O)CH3
 1081126.1985  0.0753 -4.5854 3  713.7345420  595161404522923 4    512824 4      C-13-H3C(O)CH3
 1081132.8394  0.0574 -3.7618 3  958.3858888  5951614045552 3 1    5451 4 1      C-13-H3C(O)CH3
 1081137.1449  0.0627 -3.7618 3  958.3593888  5951614045552 4 2    5451 4 2      C-13-H3C(O)CH3
 1081191.2011  0.0748 -4.2845 3  713.7408840  595161404522923 2    512824 2      C-13-H3C(O)CH3
 1081219.3355  0.0783 -4.0628 3  958.4002444  5951614045552 4 4    5451 4 4      C-13-H3C(O)CH3
 1081224.1964  0.0443 -4.2844 3  713.7424840  595161404522923 1    512824 1      C-13-H3C(O)CH3
 1081247.1961  0.0096 -4.2653 3  488.7473744  595161404461630 0    451431 0      C-13-H3C(O)CH3
 1081247.1961  0.0096 -4.2609 3  488.7473744  595161404461730 0    451531 0      C-13-H3C(O)CH3
 1081288.4829  0.0456 -4.2845 3  713.7486840  595161404522923 0    512824 0      C-13-H3C(O)CH3
 1081320.1519  0.0126 -5.4740 3  488.7182744  595161404461630 2    451431 2      C-13-H3C(O)CH3
 1081320.1519  0.0126 -4.2875 3  488.7182744  595161404461630 2    451531 2      C-13-H3C(O)CH3
 1081320.1519  0.0126 -5.4443 3  488.7182744  595161404461730 2    451531 2      C-13-H3C(O)CH3
 1081320.1519  0.0126 -4.2895 3  488.7182744  595161404461730 2    451431 2      C-13-H3C(O)CH3
 1081320.2245  0.0692 -4.3424 3 1014.8122984  595161404613922 0    603823 0      C-13-H3C(O)CH3
 1081322.4016  0.0122 -4.2602 3  488.7192744  595161404461630 1    451531 1      C-13-H3C(O)CH3
 1081322.4016  0.0122 -4.2602 3  488.7192744  595161404461730 1    451431 1      C-13-H3C(O)CH3
 1081395.3978  0.0142 -4.5692 3  488.6900372  595161404461730 4    451431 4      C-13-H3C(O)CH3
 1081395.3978  0.0142 -4.5685 3  488.6900372  595161404461630 4    451531 4      C-13-H3C(O)CH3
 1081395.4914  0.0142 -4.9914 3  488.6900372  595161404461730 3    451431 3      C-13-H3C(O)CH3
 1081395.4914  0.0142 -4.7623 3  488.6900372  595161404461730 3    451531 3      C-13-H3C(O)CH3
 1081395.4914  0.0142 -4.9888 3  488.6900372  595161404461630 3    451531 3      C-13-H3C(O)CH3
 1081395.4914  0.0142 -4.7638 3  488.6900372  595161404461630 3    451431 3      C-13-H3C(O)CH3
 1081431.6998  0.0599 -4.6410 3 1014.8669492  595161404613922 3    603823 3      C-13-H3C(O)CH3
 1081455.9082  0.0891 -4.3539 3 1014.8381984  595161404613922 2    603823 2      C-13-H3C(O)CH3
 1081467.8340  0.0921 -4.3540 3 1014.8383984  595161404613922 1    603823 1      C-13-H3C(O)CH3
 1081718.5635  0.2428 -5.6237 3 1811.4797E16  595161404882860 1    872859 1      C-13-H3C(O)CH3
 1081718.5635  0.2428 -5.6237 3 1811.4797E16  595161404882960 1    872959 1      C-13-H3C(O)CH3
 1081723.5503  0.2411 -5.5465 3 1811.4837E16  595161404882960 2    872959 2      C-13-H3C(O)CH3
 1081723.5503  0.2411 -5.5465 3 1811.4837E16  595161404882860 2    872859 2      C-13-H3C(O)CH3
 1081740.9905  0.3225 -5.6189 3 1930.4332F44  595161404961977 1    951976 1      C-13-H3C(O)CH3
 1081740.9905  0.3225 -5.6189 3 1930.4332F44  595161404962077 1    952076 1      C-13-H3C(O)CH3
 1081747.6755  0.3299 -5.6449 3 1930.4364F44  595161404962077 2    951976 2      C-13-H3C(O)CH3
 1081747.6755  0.3299 -5.6449 3 1930.4364F44  595161404961977 2    952076 2      C-13-H3C(O)CH3
 1081751.5404  0.2450 -5.5502 3 1811.4688E16  595161404882960 0    872859 0      C-13-H3C(O)CH3
 1081751.5404  0.2450 -5.5502 3 1811.4688E16  595161404882860 0    872959 0      C-13-H3C(O)CH3
 1081753.3882  0.3004 -5.6861 3 1930.4122F44  595161404961977 0    951976 0      C-13-H3C(O)CH3
 1081753.3882  0.3004 -5.6861 3 1930.4122F44  595161404962077 0    952076 0      C-13-H3C(O)CH3
 1081774.5501  0.2041 -4.6912 3 1014.8620492  595161404613922 4    603823 4      C-13-H3C(O)CH3
 1081794.7093  0.0619 -5.8520 3  268.7408664  59516140441 339 0    40 040 0      C-13-H3C(O)CH3
 1081794.7093  0.0619 -5.8520 3  268.7408664  59516140441 239 0    40 140 0      C-13-H3C(O)CH3
 1081830.7552  0.0123 -4.2060 3  568.8598776  595161404482127 0    472028 0      C-13-H3C(O)CH3
 1081830.7644  0.0123 -4.2060 3  568.8598776  595161404482227 0    471928 0      C-13-H3C(O)CH3
 1081953.3283  0.0167 -4.2058 3  568.8381776  595161404482127 2    472028 2      C-13-H3C(O)CH3
 1081953.3388  0.0167 -4.2058 3  568.8381776  595161404482227 2    471928 2      C-13-H3C(O)CH3
 1081954.6814  0.0132 -4.2057 3  568.8393776  595161404482127 1    472028 1      C-13-H3C(O)CH3
 1081954.6917  0.0132 -4.2057 3  568.8393776  595161404482227 1    471928 1      C-13-H3C(O)CH3
 1082077.4586  0.0182 -4.5064 3  568.8176388  595161404482127 3    472028 3      C-13-H3C(O)CH3
 1082077.4704  0.0182 -4.5064 3  568.8176388  595161404482227 3    471928 3      C-13-H3C(O)CH3
 1082077.6421  0.0183 -4.5064 3  568.8176388  595161404482127 4    472028 4      C-13-H3C(O)CH3
 1082077.6539  0.0183 -4.5064 3  568.8176388  595161404482227 4    471928 4      C-13-H3C(O)CH3
 1082081.9115  0.0257 -5.6355 3  433.9196316  5951614043932 8 3    3829 9 3      C-13-H3C(O)CH3
 1082104.5534  0.0252 -5.6378 3  433.9006316  5951614043932 8 4    382910 4      C-13-H3C(O)CH3
 1082183.0135  0.0218 -5.3377 3  433.9200632  5951614043932 8 1    382910 1      C-13-H3C(O)CH3
 1082245.7332  0.0226 -5.3373 3  433.9546632  5951614043932 7 2    3829 9 2      C-13-H3C(O)CH3
 1082269.5958  0.0210 -5.3396 3  433.9357632  5951614043932 8 2    382910 2      C-13-H3C(O)CH3
 1082351.0485  0.0215 -5.3405 3  433.9548632  5951614043932 8 0    3829 9 0      C-13-H3C(O)CH3
 1082351.3830  0.0215 -5.3405 3  433.9548632  5951614043932 7 0    382910 0      C-13-H3C(O)CH3
 1082396.7792  0.1407 -5.5635 3 1504.0321604  595161404754134 3    744233 3      C-13-H3C(O)CH3
 1082396.8987  0.1396 -5.5635 3 1504.0322604  595161404754134 4    744233 4      C-13-H3C(O)CH3
 1082414.8966  0.1333 -5.2624 3 1504.0220C08  595161404754134 1    744233 1      C-13-H3C(O)CH3
 1082430.1619  0.1430 -5.2623 3 1504.0267C08  595161404754134 2    744233 2      C-13-H3C(O)CH3
 1082448.0602  0.1335 -5.2623 3 1504.0166C08  595161404754134 0    744233 0      C-13-H3C(O)CH3
 1082448.7801  0.0300 -5.6357 3  433.9379316  5951614043932 7 4    3829 9 4      C-13-H3C(O)CH3
 1082474.6775  0.0262 -5.6381 3  433.9189316  5951614043932 7 3    382910 3      C-13-H3C(O)CH3
 1082551.8695  0.0234 -5.3380 3  433.9381632  5951614043932 7 1    3829 9 1      C-13-H3C(O)CH3
 1082556.5645  0.3720 -5.0607 3 1020.8899492  595161404614022 4    603921 4      C-13-H3C(O)CH3
 1082661.9732  0.2536 -5.6250 3 1830.8978E32  595161404892862 1    882861 1      C-13-H3C(O)CH3
 1082661.9732  0.2536 -5.6250 3 1830.8978E32  595161404892762 1    882761 1      C-13-H3C(O)CH3
 1082667.4635  0.2520 -5.5328 3 1830.9020E32  595161404892762 2    882761 2      C-13-H3C(O)CH3
 1082667.4635  0.2520 -5.5328 3 1830.9020E32  595161404892862 2    882861 2      C-13-H3C(O)CH3
 1082694.1367  0.2536 -5.5214 3 1830.8862E32  595161404892762 0    882861 0      C-13-H3C(O)CH3
 1082694.1367  0.2536 -5.5214 3 1830.8862E32  595161404892862 0    882761 0      C-13-H3C(O)CH3
 1082856.0129  0.0408 -4.1121 3  964.1799452  5951614045650 7 4    5549 6 4      C-13-H3C(O)CH3
 1082881.6274  0.3264 -5.7836 3 1944.9195F60  595161404971879 1    961978 1      C-13-H3C(O)CH3
 1082881.6274  0.3264 -5.7836 3 1944.9195F60  595161404971979 1    961878 1      C-13-H3C(O)CH3
 1082887.9597  0.3358 -5.6856 3 1944.9223F60  595161404971979 2    961878 2      C-13-H3C(O)CH3
 1082887.9597  0.3358 -5.6856 3 1944.9223F60  595161404971879 2    961978 2      C-13-H3C(O)CH3
 1082889.8605  0.3037 -5.7874 3 1944.8975F60  595161404971979 0    961978 0      C-13-H3C(O)CH3
 1082889.8605  0.3037 -5.7874 3 1944.8975F60  595161404971879 0    961878 0      C-13-H3C(O)CH3
 1082907.1988  0.0233 -4.7701 3  567.8201744  595161404463016 0    452719 0      C-13-H3C(O)CH3
 1082914.0969  0.0324 -3.8111 3  964.1669904  5951614045650 7 1    5549 6 1      C-13-H3C(O)CH3
 1082934.2185  0.0430 -4.1122 3  964.1815452  5951614045650 6 3    5549 6 3      C-13-H3C(O)CH3
 1082936.5170  0.0333 -3.8110 3  964.1489904  5951614045650 7 2    5549 7 2      C-13-H3C(O)CH3
 1082938.3683  0.2106 -4.4664 3 1020.8458984  595161404614022 2    603921 2      C-13-H3C(O)CH3
 1082984.4901  0.1503 -4.4450 3 1020.8447984  595161404614022 1    603921 1      C-13-H3C(O)CH3
 1082994.1171  0.0414 -4.1121 3  964.1757452  5951614045650 7 3    5549 7 3      C-13-H3C(O)CH3
 1082995.1479  0.0307 -3.8110 3  964.1357904  5951614045650 7 0    5549 7 0      C-13-H3C(O)CH3
 1082995.1479  0.0307 -3.8110 3  964.1357904  5951614045650 6 0    5549 6 0      C-13-H3C(O)CH3
 1083015.1017  0.0412 -3.8111 3  964.1503904  5951614045650 6 2    5549 6 2      C-13-H3C(O)CH3
 1083039.7277  0.4573 -4.7342 3 1145.9614A48  595161404654026 0    643925 0      C-13-H3C(O)CH3
 1083052.6239  0.0383 -3.8110 3  964.1627904  5951614045650 6 1    5549 7 1      C-13-H3C(O)CH3
 1083068.0367  0.0475 -4.2759 3 1020.8062984  595161404614022 0    603921 0      C-13-H3C(O)CH3
 1083072.2325  0.0552 -4.1121 3  964.1773452  5951614045650 6 4    5549 7 4      C-13-H3C(O)CH3
 1083163.4342  0.0315 -5.1286 3  550.2940728  595161404453115 1    442816 1      C-13-H3C(O)CH3
 1083193.5944  0.7483 -4.9681 3 1251.3276A96  595161404684128 0    674027 0      C-13-H3C(O)CH3
 1083206.4086  0.0459 -5.5262 3  550.2834364  595161404453115 4    442816 4      C-13-H3C(O)CH3
 1083214.5661  0.0286 -4.8497 3  550.3053728  595161404453115 0    442816 0      C-13-H3C(O)CH3
 1083324.0303  0.0427 -4.5772 3 1020.8769492  595161404614022 3    603921 3      C-13-H3C(O)CH3
 1083348.0702  0.0157 -5.7700 3  344.5592600  595161404372017 2    361720 2      C-13-H3C(O)CH3
 1083348.7252  0.0264 -4.7822 3  567.8062744  595161404463016 1    452719 1      C-13-H3C(O)CH3
 1083379.6301  0.0416 -5.1674 3  550.2926728  595161404453115 2    442816 2      C-13-H3C(O)CH3
 1083411.8895  0.0129 -5.7705 3  344.5872600  595161404372017 0    361720 0      C-13-H3C(O)CH3
 1083482.9627  0.0144 -5.7685 3  344.5622600  595161404372017 1    361720 1      C-13-H3C(O)CH3
 1083613.5002  0.2221 -5.8504 3 1849.7774724  595161404902664 3    892763 3      C-13-H3C(O)CH3
 1083638.6855  0.2649 -5.7205 3 1849.7606E48  595161404902764 1    892663 1      C-13-H3C(O)CH3
 1083638.6855  0.2649 -5.5531 3 1849.7606E48  595161404902764 1    892763 1      C-13-H3C(O)CH3
 1083644.6412  0.2636 -5.5880 3 1849.7649E48  595161404902664 2    892763 2      C-13-H3C(O)CH3
 1083644.6412  0.2636 -5.5880 3 1849.7649E48  595161404902764 2    892663 2      C-13-H3C(O)CH3
 1083669.8072  0.2622 -5.7306 3 1849.7481E48  595161404902664 0    892663 0      C-13-H3C(O)CH3
 1083669.8072  0.2622 -5.7306 3 1849.7481E48  595161404902764 0    892763 0      C-13-H3C(O)CH3
 1083682.3138  0.0395 -4.7957 3  567.8025744  595161404463016 2    452719 2      C-13-H3C(O)CH3
 1083724.0875  0.5503 -4.7322 3 1145.9581A48  595161404654026 2    643925 2      C-13-H3C(O)CH3
 1083737.4877  0.1506 -5.2610 3 1503.9942C08  595161404754234 2    744133 2      C-13-H3C(O)CH3
 1083740.6691  0.1795 -5.2610 3 1503.9845C08  595161404754234 0    744133 0      C-13-H3C(O)CH3
 1083781.2690  0.1081 -5.5621 3 1503.9978604  595161404754234 4    744133 4      C-13-H3C(O)CH3
 1083781.4833  0.1088 -5.5621 3 1503.9978604  595161404754234 3    744133 3      C-13-H3C(O)CH3
 1083784.3805  0.1579 -5.2611 3 1503.9880C08  595161404754234 1    744133 1      C-13-H3C(O)CH3
 1083844.4617  0.8985 -4.9672 3 1251.3207A96  595161404684128 2    674027 2      C-13-H3C(O)CH3
 1083861.1587  0.0290 -5.0738 3  567.7889372  595161404463016 3    452719 3      C-13-H3C(O)CH3
 1083917.3092  0.0253 -5.7308 3  403.9267600  5951614043733 5 2    3630 7 2      C-13-H3C(O)CH3
 1083922.3988  0.3989 -4.7317 3 1145.9526A48  595161404654026 1    643925 1      C-13-H3C(O)CH3
 1083927.6517  0.0599 -4.7241 3 1020.8458984  595161404614021 2    603921 2      C-13-H3C(O)CH3
 1083941.8830  0.0506 -4.7661 3 1020.8447984  595161404614021 1    603921 1      C-13-H3C(O)CH3
 1084033.0091  0.0629 -4.7486 3 1020.8899492  595161404614021 4    603921 4      C-13-H3C(O)CH3
 1084037.7430  0.3268 -5.6705 3 1958.8721F76  595161404981881 1    971780 1      C-13-H3C(O)CH3
 1084041.3401  0.3047 -5.6759 3 1958.8494F76  595161404981781 0    971880 0      C-13-H3C(O)CH3
 1084041.3401  0.3047 -5.6759 3 1958.8494F76  595161404981881 0    971780 0      C-13-H3C(O)CH3
 1084043.5928  0.3382 -5.8001 3 1958.8746F76  595161404981781 2    971880 2      C-13-H3C(O)CH3
 1084043.5928  0.3382 -5.7126 3 1958.8746F76  595161404981881 2    971780 2      C-13-H3C(O)CH3
 1084069.6428  0.0535 -5.3961 3  510.8224356  595161404442717 3    432420 3      C-13-H3C(O)CH3
 1084078.2338  0.0485 -5.0980 3  510.8420712  595161404442717 2    432420 2      C-13-H3C(O)CH3
 1084084.0349  0.0269 -5.7294 3  403.9078600  5951614043733 5 1    3630 7 1      C-13-H3C(O)CH3
 1084094.1960  0.0504 -5.3964 3  510.8223356  595161404442717 4    432420 4      C-13-H3C(O)CH3
 1084111.4288  0.0381 -5.1732 3  550.2940728  595161404453114 1    442816 1      C-13-H3C(O)CH3
 1084220.2748  0.6681 -4.9665 3 1251.3075A96  595161404684128 1    674027 1      C-13-H3C(O)CH3
 1084231.8033  0.0254 -5.7287 3  403.9381600  5951614043733 4 2    3630 6 2      C-13-H3C(O)CH3
 1084258.7399  0.0543 -5.3440 3  550.2794364  595161404453115 3    442816 3      C-13-H3C(O)CH3
 1084270.2207  0.0255 -5.7333 3  403.9570600  5951614043733 5 0    3630 6 0      C-13-H3C(O)CH3
 1084270.2211  0.0255 -5.7333 3  403.9570600  5951614043733 4 0    3630 7 0      C-13-H3C(O)CH3
 1084302.6151  0.0285 -5.0997 3  510.8463712  595161404442717 1    432420 1      C-13-H3C(O)CH3
 1084303.4825  0.0275 -5.1024 3  510.8658712  595161404442717 0    432420 0      C-13-H3C(O)CH3
 1084318.4483  0.0248 -5.4830 3  425.8750648  595161404402714 0    392217 0      C-13-H3C(O)CH3
 1084323.6587  0.0137 -4.6427 3  443.7413364  595161404451432 4    441233 4      C-13-H3C(O)CH3
 1084323.6587  0.0137 -4.6427 3  443.7413364  595161404451332 4    441133 4      C-13-H3C(O)CH3
 1084324.0081  0.0136 -5.4284 3  443.7413364  595161404451332 3    441133 3      C-13-H3C(O)CH3
 1084324.0081  0.0136 -4.7193 3  443.7413364  595161404451332 3    441233 3      C-13-H3C(O)CH3
 1084324.0081  0.0136 -4.7193 3  443.7413364  595161404451432 3    441133 3      C-13-H3C(O)CH3
 1084324.0081  0.0136 -5.4284 3  443.7413364  595161404451432 3    441233 3      C-13-H3C(O)CH3
 1084333.5053  0.0129 -4.8804 3  443.7698728  595161404451332 2    441233 2      C-13-H3C(O)CH3
 1084333.5053  0.0129 -4.4889 3  443.7698728  595161404451432 2    441233 2      C-13-H3C(O)CH3
 1084333.5053  0.0129 -4.8804 3  443.7698728  595161404451432 2    441133 2      C-13-H3C(O)CH3
 1084333.5053  0.0129 -4.4889 3  443.7698728  595161404451332 2    441133 2      C-13-H3C(O)CH3
 1084336.3709  0.0131 -5.7540 3  443.7706728  595161404451332 1    441133 1      C-13-H3C(O)CH3
 1084336.3709  0.0131 -4.3580 3  443.7706728  595161404451332 1    441233 1      C-13-H3C(O)CH3
 1084336.3709  0.0131 -5.7540 3  443.7706728  595161404451432 1    441233 1      C-13-H3C(O)CH3
 1084336.3709  0.0131 -4.3580 3  443.7706728  595161404451432 1    441133 1      C-13-H3C(O)CH3
 1084337.6771  0.0423 -5.7748 3  507.2223696  595161404433113 2    422814 2      C-13-H3C(O)CH3
 1084341.2589  0.0529 -5.1307 3  567.7885372  595161404463016 4    452719 4      C-13-H3C(O)CH3
 1084345.8798  0.0100 -4.5923 3  443.7991728  595161404451332 0    441133 0      C-13-H3C(O)CH3
 1084345.8798  0.0100 -4.6984 3  443.7991728  595161404451432 0    441133 0      C-13-H3C(O)CH3
 1084345.8798  0.0100 -4.5923 3  443.7991728  595161404451432 0    441233 0      C-13-H3C(O)CH3
 1084345.8798  0.0100 -4.6984 3  443.7991728  595161404451332 0    441233 0      C-13-H3C(O)CH3
 1084353.6396  0.0312 -5.5507 3  507.2101696  595161404433113 1    422814 1      C-13-H3C(O)CH3
 1084413.7986  0.0244 -5.5260 3  425.8529648  595161404402714 1    392217 1      C-13-H3C(O)CH3
 1084557.4318  0.0314 -4.1695 3  971.5780460  595161404574810 4    564710 4      C-13-H3C(O)CH3
 1084580.3633  0.4414 -5.0312 3 1145.9501524  595161404654026 4    643925 4      C-13-H3C(O)CH3
 1084583.1284  0.3314 -4.7810 3  939.6831476  595161404593623 3    583524 3      C-13-H3C(O)CH3
 1084620.6227  0.4858 -5.0304 3 1145.9494524  595161404654026 3    643925 3      C-13-H3C(O)CH3
 1084620.8936  0.2282 -5.8717 3 1868.0896732  595161404912666 3    902665 3      C-13-H3C(O)CH3
 1084620.8936  0.2282 -5.8717 3 1868.0896732  595161404912566 3    902565 3      C-13-H3C(O)CH3
 1084633.2581  0.3144 -4.7817 3  939.6825476  595161404593623 4    583524 4      C-13-H3C(O)CH3
 1084634.2980  0.0636 -5.5960 3  550.2794364  595161404453114 3    442816 3      C-13-H3C(O)CH3
 1084644.3609  0.2767 -5.5725 3 1868.0719E64  595161404912666 1    902665 1      C-13-H3C(O)CH3
 1084644.3609  0.2767 -5.5725 3 1868.0719E64  595161404912566 1    902565 1      C-13-H3C(O)CH3
 1084646.1829  0.0286 -3.8684 3  971.5573920  595161404574810 2    564710 2      C-13-H3C(O)CH3
 1084647.8007  0.0342 -4.1695 3  971.5958460  5951614045748 9 3    5647 9 3      C-13-H3C(O)CH3
 1084650.7313  0.2759 -5.6346 3 1868.0761E64  595161404912566 2    902665 2      C-13-H3C(O)CH3
 1084650.7313  0.2759 -5.6346 3 1868.0761E64  595161404912666 2    902565 2      C-13-H3C(O)CH3
 1084662.0528  0.0253 -3.8683 3  971.5689920  595161404574810 1    564710 1      C-13-H3C(O)CH3
 1084672.9937  0.0256 -5.7305 3  403.9312600  5951614043733 4 1    3630 6 1      C-13-H3C(O)CH3
 1084674.1821  0.2710 -5.7948 3 1868.0584E64  595161404912566 0    902665 0      C-13-H3C(O)CH3
 1084674.1821  0.2710 -5.7948 3 1868.0584E64  595161404912666 0    902565 0      C-13-H3C(O)CH3
 1084676.4909  0.0341 -4.1694 3  971.5820460  595161404574810 3    564710 3      C-13-H3C(O)CH3
 1084679.4164  0.0436 -4.7225 3 1020.7877984  595161404614022 2    603922 2      C-13-H3C(O)CH3
 1084680.5869  0.0580 -5.1359 3  550.2926728  595161404453114 2    442816 2      C-13-H3C(O)CH3
 1084694.6433  0.0437 -4.7642 3 1020.7877984  595161404614022 1    603922 1      C-13-H3C(O)CH3
 1084713.0957  0.0242 -4.9442 3  507.2173696  595161404433113 0    422814 0      C-13-H3C(O)CH3
 1084737.0491  0.0313 -3.8684 3  971.5751920  5951614045748 9 2    5647 9 2      C-13-H3C(O)CH3
 1084751.0842  0.0236 -3.8683 3  971.5481920  595161404574810 0    564710 0      C-13-H3C(O)CH3
 1084751.0842  0.0236 -3.8683 3  971.5481920  5951614045748 9 0    5647 9 0      C-13-H3C(O)CH3
 1084767.2257  0.0425 -4.1695 3  971.5998460  5951614045748 9 4    5647 9 4      C-13-H3C(O)CH3
 1084781.5917  0.0287 -3.8683 3  971.5729920  5951614045748 9 1    5647 9 1      C-13-H3C(O)CH3
 1084805.6778  0.0463 -4.7464 3 1020.8149492  595161404614022 4    603922 4      C-13-H3C(O)CH3
 1084813.5755  0.0313 -5.5865 3  425.8416648  595161404402714 2    392217 2      C-13-H3C(O)CH3
 1084823.0017  0.8017 -5.1374 3 1361.0657B44  595161404714230 0    704129 0      C-13-H3C(O)CH3
 1084865.7474  0.7405 -5.2666 3 1251.3008548  595161404684128 4    674027 4      C-13-H3C(O)CH3
 1084875.4460  0.7625 -5.2665 3 1251.3006548  595161404684128 3    674027 3      C-13-H3C(O)CH3
 1085124.3160  0.0455 -5.7244 3  507.2038348  595161404433113 3    422814 3      C-13-H3C(O)CH3
 1085166.5276  0.2308 -4.4832 3  939.6737952  595161404593623 1    583524 1      C-13-H3C(O)CH3
 1085169.8859  0.0257 -5.0661 3  507.2101696  595161404433112 1    422814 1      C-13-H3C(O)CH3
 1085182.7831  0.3376 -4.4834 3  939.6738952  595161404593623 2    583524 2      C-13-H3C(O)CH3
 1085195.8645  0.9284 -5.1374 3 1361.0649B44  595161404714230 2    704129 2      C-13-H3C(O)CH3
 1085207.4338  0.3032 -5.6911 3 1972.2694F92  595161404991683 0    981782 0      C-13-H3C(O)CH3
 1085207.4338  0.3032 -5.6911 3 1972.2694F92  595161404991783 0    981682 0      C-13-H3C(O)CH3
 1085208.9067  0.3232 -5.7872 3 1972.2927F92  595161404991783 1    981682 1      C-13-H3C(O)CH3
 1085208.9067  0.3232 -5.7872 3 1972.2927F92  595161404991683 1    981782 1      C-13-H3C(O)CH3
 1085214.1548  0.3362 -5.8260 3 1972.2947F92  595161404991783 2    981782 2      C-13-H3C(O)CH3
 1085214.1548  0.3362 -5.7692 3 1972.2947F92  595161404991683 2    981682 2      C-13-H3C(O)CH3
 1085215.1219  0.0366 -5.8212 3  425.8193324  595161404402714 3    392217 3      C-13-H3C(O)CH3
 1085239.8481  0.0809 -4.7243 3  648.2344792  595161404493218 0    482919 0      C-13-H3C(O)CH3
 1085284.1351  0.0178 -5.4087 3  417.4785648  595161404402516 0    392019 0      C-13-H3C(O)CH3
 1085306.7776  0.2806 -4.7635 3  974.1785484  595161404603723 3    593624 3      C-13-H3C(O)CH3
 1085317.5248  0.0345 -5.4183 3  507.2038348  595161404433112 3    422814 3      C-13-H3C(O)CH3
 1085335.7126  0.0462 -4.2744 3 1020.7552984  595161404614021 0    603922 0      C-13-H3C(O)CH3
 1085347.9806  0.0259 -5.0130 3  507.2223696  595161404433112 2    422814 2      C-13-H3C(O)CH3
 1085380.8703  0.2531 -4.7650 3  974.1776484  595161404603723 4    593624 4      C-13-H3C(O)CH3
 1085407.3889  0.0342 -4.2828 3  713.7399840  595161404523023 0    512724 0      C-13-H3C(O)CH3
 1085444.7467  0.0644 -5.3884 3  550.2834364  595161404453114 4    442816 4      C-13-H3C(O)CH3
 1085455.4727  0.0174 -5.4074 3  417.4548648  595161404402516 1    392019 1      C-13-H3C(O)CH3
 1085481.8706  0.0434 -4.2828 3  713.7316840  595161404523023 2    512724 2      C-13-H3C(O)CH3
 1085484.0512  0.0361 -4.2828 3  713.7333840  595161404523023 1    512724 1      C-13-H3C(O)CH3
 1085500.4012  0.0391 -4.9734 3  536.7992728  595161404452817 2    442520 2      C-13-H3C(O)CH3
 1085514.3531  0.0446 -4.5757 3 1020.8277492  595161404614021 3    603922 3      C-13-H3C(O)CH3
 1085530.8801  0.0169 -5.4088 3  417.4501648  595161404402516 2    392019 2      C-13-H3C(O)CH3
 1085534.2309  0.0264 -4.9770 3  536.8213728  595161404452817 0    442520 0      C-13-H3C(O)CH3
 1085544.4389  0.0434 -5.2715 3  536.7814364  595161404452817 3    442520 3      C-13-H3C(O)CH3
 1085558.5226  0.0454 -4.5838 3  713.7249420  595161404523023 4    512724 4      C-13-H3C(O)CH3
 1085561.6314  0.0448 -4.5838 3  713.7249420  595161404523023 3    512724 3      C-13-H3C(O)CH3
 1085597.2017  0.0398 -5.2726 3  536.7813364  595161404452817 4    442520 4      C-13-H3C(O)CH3
 1085599.9013  0.7180 -5.1371 3 1361.0486B44  595161404714230 1    704129 1      C-13-H3C(O)CH3
 1085600.3046  0.0278 -4.9746 3  536.8035728  595161404452817 1    442520 1      C-13-H3C(O)CH3
 1085601.4175  0.0259 -5.2775 3  507.2216348  595161404433112 4    422814 4      C-13-H3C(O)CH3
 1085611.5284  0.0295 -5.8560 3  406.3348632  595161404392713 1    382216 1      C-13-H3C(O)CH3
 1085627.7817  0.1590 -5.6514 3 1646.5341644  595161404803743 4    793842 4      C-13-H3C(O)CH3
 1085627.7822  0.1590 -5.6514 3 1646.5341644  595161404803843 4    793742 4      C-13-H3C(O)CH3
 1085627.8480  0.1591 -5.6514 3 1646.5340644  595161404803743 3    793842 3      C-13-H3C(O)CH3
 1085627.8484  0.1591 -5.6514 3 1646.5340644  595161404803843 3    793742 3      C-13-H3C(O)CH3
 1085652.0362  0.1692 -4.4433 3 1020.7877984  595161404614021 1    603922 1      C-13-H3C(O)CH3
 1085660.1492  0.1712 -5.3505 3 1646.5270C88  595161404803743 2    793842 2      C-13-H3C(O)CH3
 1085660.1495  0.1712 -5.3505 3 1646.5270C88  595161404803843 2    793742 2      C-13-H3C(O)CH3
 1085661.1251  0.1734 -5.3504 3 1646.5239C88  595161404803743 1    793842 1      C-13-H3C(O)CH3
 1085661.1256  0.1734 -5.3504 3 1646.5239C88  595161404803843 1    793742 1      C-13-H3C(O)CH3
 1085668.6998  0.2377 -4.4647 3 1020.7877984  595161404614021 2    603922 2      C-13-H3C(O)CH3
 1085675.5932  0.2887 -5.5876 3 1885.8348E80  595161404922468 1    912467 1      C-13-H3C(O)CH3
 1085675.5932  0.2887 -5.5876 3 1885.8348E80  595161404922568 1    912567 1      C-13-H3C(O)CH3
 1085682.3132  0.2887 -5.6303 3 1885.8391E80  595161404922568 2    912467 2      C-13-H3C(O)CH3
 1085682.3132  0.2887 -5.6303 3 1885.8391E80  595161404922468 2    912567 2      C-13-H3C(O)CH3
 1085685.1731  0.1663 -5.6725 3 1671.3080652  595161404813745 4    803644 4      C-13-H3C(O)CH3
 1085685.1731  0.1663 -5.6725 3 1671.3080652  595161404813645 4    803744 4      C-13-H3C(O)CH3
 1085685.2368  0.1663 -5.6725 3 1671.3080652  595161404813745 3    803644 3      C-13-H3C(O)CH3
 1085685.2368  0.1663 -5.6725 3 1671.3080652  595161404813645 3    803744 3      C-13-H3C(O)CH3
 1085687.0346  0.0157 -5.7084 3  417.4263324  595161404402516 4    392019 4      C-13-H3C(O)CH3
 1085693.3774  0.1828 -5.3504 3 1646.5169C88  595161404803743 0    793842 0      C-13-H3C(O)CH3
 1085693.3777  0.1828 -5.3504 3 1646.5169C88  595161404803843 0    793742 0      C-13-H3C(O)CH3
 1085702.3862  0.0270 -5.7032 3  406.3557632  595161404392713 0    382216 0      C-13-H3C(O)CH3
 1085703.8191  0.2799 -5.5910 3 1885.8203E80  595161404922568 0    912567 0      C-13-H3C(O)CH3
 1085703.8191  0.2799 -5.5910 3 1885.8203E80  595161404922468 0    912467 0      C-13-H3C(O)CH3
 1085714.0373  0.1987 -4.4657 3  974.1650968  595161404603723 1    593624 1      C-13-H3C(O)CH3
 1085714.0980  0.0157 -5.7081 3  417.4263324  595161404402516 3    392019 3      C-13-H3C(O)CH3
 1085718.9843  0.1795 -5.3721 3 1671.3009D04  595161404813745 2    803644 2      C-13-H3C(O)CH3
 1085718.9843  0.1795 -5.3722 3 1671.3009D04  595161404813645 2    803744 2      C-13-H3C(O)CH3
 1085719.0468  0.1815 -5.3715 3 1671.2978D04  595161404813645 1    803744 1      C-13-H3C(O)CH3
 1085719.0468  0.1815 -5.3715 3 1671.2978D04  595161404813745 1    803644 1      C-13-H3C(O)CH3
 1085730.7924  0.0144 -4.2091 3  604.9458792  595161404492326 0    482227 0      C-13-H3C(O)CH3
 1085731.1854  0.0144 -4.2091 3  604.9458792  595161404492426 0    482127 0      C-13-H3C(O)CH3
 1085736.0316  0.2772 -4.4659 3  974.1652968  595161404603723 2    593624 2      C-13-H3C(O)CH3
 1085748.8281  0.2394 -4.4863 3  939.6648952  595161404593623 0    583524 0      C-13-H3C(O)CH3
 1085752.7471  0.1911 -5.3717 3 1671.2907D04  595161404813745 0    803644 0      C-13-H3C(O)CH3
 1085752.7471  0.1911 -5.3717 3 1671.2907D04  595161404813645 0    803744 0      C-13-H3C(O)CH3
 1085794.3794  0.0143 -5.7694 3  344.5591600  595161404372117 2    361620 2      C-13-H3C(O)CH3
 1085801.4870  0.0125 -5.7699 3  344.5871600  595161404372117 0    361620 0      C-13-H3C(O)CH3
 1085849.5944  0.0209 -4.2088 3  604.9282792  595161404492326 2    482227 2      C-13-H3C(O)CH3
 1085850.0295  0.0209 -4.2088 3  604.9282792  595161404492426 2    482127 2      C-13-H3C(O)CH3
 1085851.1934  0.0151 -4.2088 3  604.9295792  595161404492326 1    482227 1      C-13-H3C(O)CH3
 1085851.6222  0.0151 -4.2088 3  604.9295792  595161404492426 1    482127 1      C-13-H3C(O)CH3
 1085873.6279  0.0134 -5.7679 3  344.5621600  595161404372117 1    361620 1      C-13-H3C(O)CH3
 1085886.0632  0.1517 -5.6322 3 1621.0845636  595161404793841 4    783940 4      C-13-H3C(O)CH3
 1085886.0822  0.1517 -5.6322 3 1621.0845636  595161404793941 4    783840 4      C-13-H3C(O)CH3
 1085886.1315  0.1517 -5.6322 3 1621.0845636  595161404793841 3    783940 3      C-13-H3C(O)CH3
 1085886.1506  0.1517 -5.6322 3 1621.0845636  595161404793941 3    783840 3      C-13-H3C(O)CH3
 1085897.1449  0.0446 -5.7791 3  528.3881356  595161404443114 4    432815 4      C-13-H3C(O)CH3
 1085897.6970  0.0256 -5.0659 3  507.1586696  595161404433113 1    422815 1      C-13-H3C(O)CH3
 1085916.1503  0.1630 -5.3313 3 1621.0776C72  595161404793841 2    783940 2      C-13-H3C(O)CH3
 1085916.1655  0.1630 -5.3313 3 1621.0776C72  595161404793941 2    783840 2      C-13-H3C(O)CH3
 1085918.3032  0.1654 -5.3312 3 1621.0744C72  595161404793841 1    783940 1      C-13-H3C(O)CH3
 1085918.3234  0.1654 -5.3312 3 1621.0744C72  595161404793941 1    783840 1      C-13-H3C(O)CH3
 1085929.9236  0.0318 -4.2373 3  980.7335468  595161404584613 4    574513 4      C-13-H3C(O)CH3
 1085948.2725  0.1745 -5.3312 3 1621.0676C72  595161404793841 0    783940 0      C-13-H3C(O)CH3
 1085948.2886  0.1745 -5.3312 3 1621.0676C72  595161404793941 0    783840 0      C-13-H3C(O)CH3
 1085968.3032  0.1735 -5.8753 3 1695.4360660  595161404823547 4    813646 4      C-13-H3C(O)CH3
 1085968.3640  0.1735 -5.6949 3 1695.4360660  595161404823647 3    813546 3      C-13-H3C(O)CH3
 1085968.3640  0.1735 -5.6950 3 1695.4360660  595161404823547 3    813646 3      C-13-H3C(O)CH3
 1085970.1932  0.0223 -4.5095 3  604.9118396  595161404492326 3    482227 3      C-13-H3C(O)CH3
 1085970.4332  0.0225 -4.5095 3  604.9118396  595161404492326 4    482227 4      C-13-H3C(O)CH3
 1085970.6682  0.0223 -4.5095 3  604.9118396  595161404492426 3    482127 3      C-13-H3C(O)CH3
 1085970.9055  0.0225 -4.5095 3  604.9118396  595161404492426 4    482127 4      C-13-H3C(O)CH3
 1085974.6082  0.7445 -5.4381 3 1361.0478572  595161404714230 4    704129 4      C-13-H3C(O)CH3
 1085976.5699  0.7586 -5.4381 3 1361.0478572  595161404714230 3    704129 3      C-13-H3C(O)CH3
 1085998.9440  0.0672 -4.7498 3  648.2129792  595161404493218 1    482919 1      C-13-H3C(O)CH3
 1086002.3274  0.1897 -5.3965 3 1695.4256D20  595161404823547 1    813646 1      C-13-H3C(O)CH3
 1086002.3274  0.1897 -5.3963 3 1695.4256D20  595161404823647 1    813546 1      C-13-H3C(O)CH3
 1086003.0320  0.1878 -5.7597 3 1695.4288D20  595161404823647 2    813546 2      C-13-H3C(O)CH3
 1086003.0320  0.1878 -5.6384 3 1695.4288D20  595161404823647 2    813646 2      C-13-H3C(O)CH3
 1086003.0320  0.1878 -5.6384 3 1695.4288D20  595161404823547 2    813546 2      C-13-H3C(O)CH3
 1086003.0320  0.1878 -5.7597 3 1695.4288D20  595161404823547 2    813646 2      C-13-H3C(O)CH3
 1086036.9504  0.1994 -5.5459 3 1695.4184D20  595161404823647 0    813646 0      C-13-H3C(O)CH3
 1086036.9504  0.1994 -5.5448 3 1695.4184D20  595161404823547 0    813546 0      C-13-H3C(O)CH3
 1086039.9503  0.0298 -3.9361 3  980.7134936  595161404584613 2    574513 2      C-13-H3C(O)CH3
 1086048.5938  0.0237 -4.9435 3  507.1730696  595161404433112 0    422815 0      C-13-H3C(O)CH3
 1086061.9943  0.0303 -4.2372 3  980.7565468  595161404584612 3    574512 3      C-13-H3C(O)CH3
 1086062.3098  0.0332 -4.2373 3  980.7448468  595161404584613 3    574513 3      C-13-H3C(O)CH3
 1086070.8311  0.0234 -3.9360 3  980.7145936  595161404584613 1    574513 1      C-13-H3C(O)CH3
 1086114.6339  0.2051 -4.4685 3  974.1523968  595161404603723 0    593624 0      C-13-H3C(O)CH3
 1086161.7623  0.0300 -5.2767 3  528.3872712  595161404443114 1    432815 1      C-13-H3C(O)CH3
 1086172.2998  0.0265 -3.9361 3  980.7364936  595161404584612 2    574512 2      C-13-H3C(O)CH3
 1086180.8843  0.0214 -3.9358 3  980.6945936  595161404584612 0    574513 0      C-13-H3C(O)CH3
 1086180.8843  0.0214 -3.9358 3  980.6945936  595161404584613 0    574512 0      C-13-H3C(O)CH3
 1086192.8952  0.0266 -5.0142 3  507.1604696  595161404433113 2    422815 2      C-13-H3C(O)CH3
 1086194.8190  0.0339 -4.2372 3  980.7677468  595161404584612 4    574512 4      C-13-H3C(O)CH3
 1086203.4302  0.0233 -3.9360 3  980.7258936  595161404584612 1    574512 1      C-13-H3C(O)CH3
 1086246.6904  0.0329 -5.2791 3  507.1391348  595161404433113 4    422815 4      C-13-H3C(O)CH3
 1086269.7815  0.0370 -5.3540 3  528.3925712  595161404443114 2    432815 2      C-13-H3C(O)CH3
 1086280.7846  0.0144 -4.7762 3  398.0999356  595161404441134 4    43 935 4      C-13-H3C(O)CH3
 1086280.7846  0.0144 -4.7762 3  398.0999356  595161404441034 4    43 835 4      C-13-H3C(O)CH3
 1086281.4033  0.0140 -5.2856 3  398.0999356  595161404441134 3    43 935 3      C-13-H3C(O)CH3
 1086281.4033  0.0140 -4.9341 3  398.0999356  595161404441034 3    43 935 3      C-13-H3C(O)CH3
 1086281.4033  0.0140 -5.2856 3  398.0999356  595161404441034 3    43 835 3      C-13-H3C(O)CH3
 1086281.4033  0.0140 -4.9341 3  398.0999356  595161404441134 3    43 835 3      C-13-H3C(O)CH3
 1086282.1224  0.4144 -5.0585 3 1020.8149492  595161404614021 4    603922 4      C-13-H3C(O)CH3
 1086381.9841  0.0258 -4.8946 3  528.3960712  595161404443114 0    432815 0      C-13-H3C(O)CH3
 1086387.9441  0.2988 -5.7014 3 1985.1591G08  595161404A01685 0    991584 0      C-13-H3C(O)CH3
 1086387.9441  0.2988 -5.7014 3 1985.1591G08  595161404A01585 0    991684 0      C-13-H3C(O)CH3
 1086394.8434  0.3153 -5.8637 3 1985.1826G08  595161404A01585 1    991684 1      C-13-H3C(O)CH3
 1086394.8434  0.3153 -5.8637 3 1985.1826G08  595161404A01685 1    991584 1      C-13-H3C(O)CH3
 1086397.0936  0.1141 -4.7680 3  648.2018792  595161404493218 2    482919 2      C-13-H3C(O)CH3
 1086399.3903  0.3292 -5.6815 3 1985.1842G08  595161404A01685 2    991584 2      C-13-H3C(O)CH3
 1086399.3903  0.3292 -5.6815 3 1985.1842G08  595161404A01585 2    991684 2      C-13-H3C(O)CH3
 1086418.6154  0.1807 -5.8472 3 1718.9396668  595161404833549 3    823448 3      C-13-H3C(O)CH3
 1086418.6154  0.1807 -5.8472 3 1718.9396668  595161404833449 3    823548 3      C-13-H3C(O)CH3
 1086441.5294  0.0140 -4.9060 3  398.1220712  595161404441034 2    43 935 2      C-13-H3C(O)CH3
 1086441.5294  0.0140 -4.6732 3  398.1220712  595161404441034 2    43 835 2      C-13-H3C(O)CH3
 1086441.5294  0.0140 -4.9060 3  398.1220712  595161404441134 2    43 835 2      C-13-H3C(O)CH3
 1086441.5294  0.0140 -4.6732 3  398.1220712  595161404441134 2    43 935 2      C-13-H3C(O)CH3
 1086444.5021  0.0143 -4.7357 3  398.1227712  595161404441034 1    43 935 1      C-13-H3C(O)CH3
 1086444.5021  0.0143 -4.7357 3  398.1227712  595161404441134 1    43 835 1      C-13-H3C(O)CH3
 1086444.5021  0.0143 -4.8164 3  398.1227712  595161404441034 1    43 835 1      C-13-H3C(O)CH3
 1086444.5021  0.0143 -4.8164 3  398.1227712  595161404441134 1    43 935 1      C-13-H3C(O)CH3
 1086452.4601  0.1982 -5.5735 3 1718.9290D36  595161404833449 1    823548 1      C-13-H3C(O)CH3
 1086452.4601  0.1982 -5.5735 3 1718.9290D36  595161404833549 1    823448 1      C-13-H3C(O)CH3
 1086453.8488  0.1963 -5.4472 3 1718.9323D36  595161404833549 2    823448 2      C-13-H3C(O)CH3
 1086453.8488  0.1963 -5.4472 3 1718.9323D36  595161404833449 2    823548 2      C-13-H3C(O)CH3
 1086487.6509  0.2078 -5.4599 3 1718.9217D36  595161404833549 0    823548 0      C-13-H3C(O)CH3
 1086487.6509  0.2078 -5.4599 3 1718.9217D36  595161404833449 0    823448 0      C-13-H3C(O)CH3
 1086530.3663  0.0317 -5.4193 3  507.1569348  595161404433113 3    422815 3      C-13-H3C(O)CH3
 1086604.3983  0.0122 -5.7618 3  398.1448712  595161404441134 0    43 835 0      C-13-H3C(O)CH3
 1086604.3983  0.0122 -4.4960 3  398.1448712  595161404441134 0    43 935 0      C-13-H3C(O)CH3
 1086604.3983  0.0122 -5.7618 3  398.1448712  595161404441034 0    43 935 0      C-13-H3C(O)CH3
 1086604.3983  0.0122 -4.4960 3  398.1448712  595161404441034 0    43 835 0      C-13-H3C(O)CH3
 1086606.2516  0.1440 -5.6162 3 1594.9178628  595161404783939 4    774038 4      C-13-H3C(O)CH3
 1086606.3206  0.1440 -5.6162 3 1594.9177628  595161404783939 3    774038 3      C-13-H3C(O)CH3
 1086606.9469  0.1439 -5.6162 3 1594.9177628  595161404784039 4    773938 4      C-13-H3C(O)CH3
 1086607.0168  0.1439 -5.6162 3 1594.9177628  595161404784039 3    773938 3      C-13-H3C(O)CH3
 1086632.6444  0.1546 -5.3151 3 1594.9112C56  595161404783939 2    774038 2      C-13-H3C(O)CH3
 1086633.2411  0.1546 -5.3151 3 1594.9111C56  595161404784039 2    773938 2      C-13-H3C(O)CH3
 1086636.4407  0.1573 -5.3151 3 1594.9077C56  595161404783939 1    774038 1      C-13-H3C(O)CH3
 1086637.1484  0.1574 -5.3151 3 1594.9076C56  595161404784039 1    773938 1      C-13-H3C(O)CH3
 1086662.7173  0.1661 -5.3151 3 1594.9011C56  595161404783939 0    774038 0      C-13-H3C(O)CH3
 1086663.3241  0.1662 -5.3151 3 1594.9011C56  595161404784039 0    773938 0      C-13-H3C(O)CH3
 1086667.7389  0.0341 -4.4245 3 1005.0346484  595161404604219 4    594118 4      C-13-H3C(O)CH3
 1086713.9433  0.0364 -5.5493 3  507.1586696  595161404433112 1    422815 1      C-13-H3C(O)CH3
 1086723.5751  0.0516 -5.7222 3  507.1569348  595161404433112 3    422815 3      C-13-H3C(O)CH3
 1086729.7000  0.3009 -5.6949 3 1903.0524E96  595161404932370 1    922369 1      C-13-H3C(O)CH3
 1086729.7000  0.3009 -5.6949 3 1903.0524E96  595161404932470 1    922469 1      C-13-H3C(O)CH3
 1086736.6884  0.3020 -5.6090 3 1903.0566E96  595161404932370 2    922369 2      C-13-H3C(O)CH3
 1086736.6884  0.3020 -5.6090 3 1903.0566E96  595161404932470 2    922469 2      C-13-H3C(O)CH3
 1086755.9959  0.2886 -5.6148 3 1903.0368E96  595161404932470 0    922469 0      C-13-H3C(O)CH3
 1086755.9959  0.2886 -5.6148 3 1903.0368E96  595161404932370 0    922369 0      C-13-H3C(O)CH3
 1086757.4641  0.0278 -4.1232 3 1004.9909968  595161404604219 2    594118 2      C-13-H3C(O)CH3
 1086778.6322  0.0281 -4.1233 3 1004.9839968  595161404604219 1    594118 1      C-13-H3C(O)CH3
 1086781.3116  0.0337 -4.3196 3  991.8046476  595161404594416 4    584316 4      C-13-H3C(O)CH3
 1086828.7187  0.0786 -4.0652 3  968.7927444  5951614045553 2 4    5452 2 4      C-13-H3C(O)CH3
 1086855.3096  0.0637 -3.7640 3  968.7494888  5951614045553 3 1    5452 2 1      C-13-H3C(O)CH3
 1086863.7907  0.0216 -4.1228 3 1004.9404968  595161404604219 0    594118 0      C-13-H3C(O)CH3
 1086871.8015  0.0364 -4.4261 3 1005.0313484  595161404604218 3    594118 3      C-13-H3C(O)CH3
 1086873.6918  0.0216 -4.1228 3 1004.9402968  595161404604218 0    594119 0      C-13-H3C(O)CH3
 1086878.0371  0.0968 -5.1202 3  648.1809396  595161404493218 4    482919 4      C-13-H3C(O)CH3
 1086888.1680  0.0381 -4.4260 3 1005.0287484  595161404604219 3    594119 3      C-13-H3C(O)CH3
 1086900.9542  0.0290 -4.0182 3  991.7751952  595161404594416 2    584316 2      C-13-H3C(O)CH3
 1086929.2695  0.0233 -4.0181 3  991.7686952 -595161404594416 1    584316 1      C-13-H3C(O)CH3
 1086949.7675  0.0341 -4.3194 3  991.8149476  595161404594416 3    584316 3      C-13-H3C(O)CH3
 1086956.6102  0.0641 -3.7639 3  968.7426888  5951614045553 2 2    5452 2 2      C-13-H3C(O)CH3
 1086964.4488  0.0314 -4.3193 3  991.8189476  595161404594415 3    584315 3      C-13-H3C(O)CH3
 1086964.8112  0.0751 -4.0650 3  968.7695444  5951614045553 3 3    5452 3 3      C-13-H3C(O)CH3
 1086969.6640  0.0556 -5.5315 3  485.4074348  595161404432617 3    422320 3      C-13-H3C(O)CH3
 1086978.1327  0.0302 -4.1226 3 1004.9851968  595161404604218 2    594119 2      C-13-H3C(O)CH3
 1086981.8264  0.0540 -5.5316 3  485.4074348  595161404432617 4    422320 4      C-13-H3C(O)CH3
 1086983.1137  0.0268 -4.1228 3 1004.9806968  595161404604218 1    594119 1      C-13-H3C(O)CH3
 1086983.3372  0.0649 -3.7639 3  968.6993888  5951614045553 3 0    5452 3 0      C-13-H3C(O)CH3
 1086983.3372  0.0649 -3.7639 3  968.6993888  5951614045553 2 0    5452 2 0      C-13-H3C(O)CH3
 1086991.6603  0.0514 -5.2331 3  485.4286696  595161404432617 2    422320 2      C-13-H3C(O)CH3
 1086996.0248  0.1879 -5.7513 3 1741.8357676  595161404843351 4    833450 4      C-13-H3C(O)CH3
 1086996.0248  0.1879 -5.7513 3 1741.8357676  595161404843451 4    833350 4      C-13-H3C(O)CH3
 1086996.0796  0.1879 -5.7607 3 1741.8357676  595161404843451 3    833450 3      C-13-H3C(O)CH3
 1086996.0796  0.1879 -5.7430 3 1741.8357676  595161404843351 3    833350 3      C-13-H3C(O)CH3
 1087029.5949  0.2068 -5.4408 3 1741.8247D52  595161404843351 1    833450 1      C-13-H3C(O)CH3
 1087029.5949  0.2068 -5.4408 3 1741.8247D52  595161404843451 1    833350 1      C-13-H3C(O)CH3
 1087031.6207  0.2050 -5.8433 3 1741.8281D52  595161404843351 2    833450 2      C-13-H3C(O)CH3
 1087031.6207  0.2050 -5.4419 3 1741.8281D52  595161404843351 2    833350 2      C-13-H3C(O)CH3
 1087031.6207  0.2050 -5.6592 3 1741.8281D52  595161404843451 2    833450 2      C-13-H3C(O)CH3
 1087033.0184  0.0314 -5.1261 3  528.3872712  595161404443113 1    432815 1      C-13-H3C(O)CH3
 1087034.7908  0.0722 -4.0650 3  968.7918444  5951614045553 2 3    5452 2 3      C-13-H3C(O)CH3
 1087049.0996  0.0173 -4.0178 3  991.7391952 -595161404594416 0    584315 0      C-13-H3C(O)CH3
 1087049.0996  0.0173 -4.0178 3  991.7391952 -595161404594415 0    584316 0      C-13-H3C(O)CH3
 1087051.7071  0.0455 -5.5080 3  528.3787356  595161404443114 3    432815 3      C-13-H3C(O)CH3
 1087060.9848  0.0711 -3.7639 3  968.7485888  5951614045553 2 1    5452 3 1      C-13-H3C(O)CH3
 1087065.0959  0.2162 -5.4564 3 1741.8172D52  595161404843351 0    833350 0      C-13-H3C(O)CH3
 1087065.0959  0.2162 -5.4564 3 1741.8172D52  595161404843451 0    833450 0      C-13-H3C(O)CH3
 1087084.1718  0.0271 -4.0180 3  991.7894952  595161404594415 2    584315 2      C-13-H3C(O)CH3
 1087092.2418  0.0785 -3.7638 3  968.7194888  5951614045553 3 2    5452 3 2      C-13-H3C(O)CH3
 1087092.2585  0.0448 -4.4235 3 1005.0255484  595161404604218 4    594119 4      C-13-H3C(O)CH3
 1087097.5867  0.0234 -4.0180 3  991.7789952 -595161404594415 1    584315 1      C-13-H3C(O)CH3
 1087133.1157  0.0362 -4.3191 3  991.8292476  595161404594415 4    584315 4      C-13-H3C(O)CH3
 1087170.2599  0.0933 -4.0649 3  968.7685444  5951614045553 3 4    5452 3 4      C-13-H3C(O)CH3
 1087203.1988  0.0550 -5.7718 3  507.1604696  595161404433112 2    422815 2      C-13-H3C(O)CH3
 1087307.2731  0.0281 -5.2349 3  485.4328696  595161404432617 1    422320 1      C-13-H3C(O)CH3
 1087327.6557  0.0279 -5.2374 3  485.4539696  595161404432617 0    422320 0      C-13-H3C(O)CH3
 1087333.6912  0.0469 -5.4848 3  528.3787356  595161404443113 3    432815 3      C-13-H3C(O)CH3
 1087422.1350  0.0386 -5.0801 3  528.3925712  595161404443113 2    432815 2      C-13-H3C(O)CH3
 1087447.3684  0.0107 -4.2365 3  524.8138760  595161404471829 0    461730 0      C-13-H3C(O)CH3
 1087447.3684  0.0107 -4.2365 3  524.8138760  595161404471929 0    461630 0      C-13-H3C(O)CH3
 1087521.7226  0.1260 -5.0337 3  648.1801396  595161404493218 3    482919 3      C-13-H3C(O)CH3
 1087526.0476  0.0187 -5.1416 3  351.8047348  59516140443 736 4    42 637 4      C-13-H3C(O)CH3
 1087526.0476  0.0187 -5.5489 3  351.8047348  59516140443 836 4    42 637 4      C-13-H3C(O)CH3
 1087526.0476  0.0187 -5.1416 3  351.8047348  59516140443 836 4    42 537 4      C-13-H3C(O)CH3
 1087526.0476  0.0187 -5.5489 3  351.8047348  59516140443 736 4    42 537 4      C-13-H3C(O)CH3
 1087526.7582  0.0176 -4.9988 3  351.8047348  59516140443 836 3    42 537 3      C-13-H3C(O)CH3
 1087526.7582  0.0176 -5.6166 3  351.8047348  59516140443 836 3    42 637 3      C-13-H3C(O)CH3
 1087526.7582  0.0176 -5.1177 3  351.8047348  59516140443 736 3    42 637 3      C-13-H3C(O)CH3
 1087554.6476  0.0137 -4.2356 3  524.7871760  595161404471829 2    461730 2      C-13-H3C(O)CH3
 1087554.6477  0.0137 -4.2354 3  524.7871760  595161404471929 2    461630 2      C-13-H3C(O)CH3
 1087556.1393  0.0126 -4.2352 3  524.7882760  595161404471829 1    461730 1      C-13-H3C(O)CH3
 1087556.1394  0.0126 -4.2352 3  524.7882760  595161404471929 1    461630 1      C-13-H3C(O)CH3
 1087588.2620  0.0657 -4.3596 3  749.8165856  595161404533222 0    522923 0      C-13-H3C(O)CH3
 1087663.5984  0.0155 -4.5360 3  524.7615380  595161404471929 3    461630 3      C-13-H3C(O)CH3
 1087663.5984  0.0155 -4.5360 3  524.7615380  595161404471829 3    461730 3      C-13-H3C(O)CH3
 1087663.6474  0.0155 -4.5360 3  524.7614380  595161404471929 4    461630 4      C-13-H3C(O)CH3
 1087663.6474  0.0155 -4.5361 3  524.7614380  595161404471829 4    461730 4      C-13-H3C(O)CH3
 1087672.6034  0.1950 -5.8594 3 1764.1370684  595161404853253 4    843252 4      C-13-H3C(O)CH3
 1087672.6552  0.1950 -5.7705 3 1764.1370684  595161404853353 3    843252 3      C-13-H3C(O)CH3
 1087672.6552  0.1950 -5.7705 3 1764.1370684  595161404853253 3    843352 3      C-13-H3C(O)CH3
 1087705.6656  0.2157 -5.4735 3 1764.1256D68  595161404853253 1    843352 1      C-13-H3C(O)CH3
 1087705.6656  0.2157 -5.4735 3 1764.1256D68  595161404853353 1    843252 1      C-13-H3C(O)CH3
 1087708.3021  0.2138 -5.5819 3 1764.1292D68  595161404853253 2    843352 2      C-13-H3C(O)CH3
 1087708.3021  0.2138 -5.5819 3 1764.1292D68  595161404853353 2    843252 2      C-13-H3C(O)CH3
 1087724.6914  0.3472 -4.7922 3  905.7682468  595161404583523 3    573424 3      C-13-H3C(O)CH3
 1087741.2751  0.2245 -5.4699 3 1764.1178D68  595161404853253 0    843252 0      C-13-H3C(O)CH3
 1087741.2751  0.2245 -5.4699 3 1764.1178D68  595161404853353 0    843352 0      C-13-H3C(O)CH3
 1087758.3426  0.3372 -4.7925 3  905.7679468  595161404583523 4    573424 4      C-13-H3C(O)CH3
 1087780.1915  0.0248 -4.2454 3  677.4555824  595161404512724 0    502625 0      C-13-H3C(O)CH3
 1087804.5664  0.3128 -5.7492 3 1919.7271F12  595161404942372 1    932371 1      C-13-H3C(O)CH3
 1087804.5664  0.3128 -5.7492 3 1919.7271F12  595161404942272 1    932271 1      C-13-H3C(O)CH3
 1087811.7264  0.3152 -5.6259 3 1919.7312F12  595161404942272 2    932271 2      C-13-H3C(O)CH3
 1087811.7264  0.3152 -5.6259 3 1919.7312F12  595161404942372 2    932371 2      C-13-H3C(O)CH3
 1087828.5555  0.2972 -5.6379 3 1919.7103F12  595161404942372 0    932371 0      C-13-H3C(O)CH3
 1087828.5555  0.2972 -5.6379 3 1919.7103F12  595161404942272 0    932271 0      C-13-H3C(O)CH3
 1087837.1248  0.0393 -4.2453 3  677.4452824  595161404512724 2    502625 2      C-13-H3C(O)CH3
 1087845.4870  0.0256 -4.2452 3  677.4467824  595161404512724 1    502625 1      C-13-H3C(O)CH3
 1087874.1580  0.0601 -4.3604 3  749.8081856  595161404533222 1    522923 1      C-13-H3C(O)CH3
 1087902.0530  0.0408 -4.5461 3  677.4364412  595161404512724 3    502625 3      C-13-H3C(O)CH3
 1087902.5984  0.0412 -4.5461 3  677.4364412  595161404512724 4    502625 4      C-13-H3C(O)CH3
 1087922.0016  0.0400 -5.3259 3  528.3881356  595161404443113 4    432815 4      C-13-H3C(O)CH3
 1087922.6670  0.0486 -4.3607 3  749.8054856  595161404533222 2    522923 2      C-13-H3C(O)CH3
 1087931.4225  0.0148 -5.1434 3  351.8095696  59516140443 736 2    42 637 2      C-13-H3C(O)CH3
 1087931.4225  0.0148 -4.8888 3  351.8095696  59516140443 736 2    42 537 2      C-13-H3C(O)CH3
 1087931.4225  0.0148 -5.1434 3  351.8095696  59516140443 836 2    42 537 2      C-13-H3C(O)CH3
 1087931.4225  0.0148 -4.8888 3  351.8095696  59516140443 836 2    42 637 2      C-13-H3C(O)CH3
 1087933.7748  0.0158 -5.0664 3  351.8100696  59516140443 736 1    42 637 1      C-13-H3C(O)CH3
 1087933.7748  0.0158 -4.9384 3  351.8100696  59516140443 736 1    42 537 1      C-13-H3C(O)CH3
 1087933.7748  0.0158 -5.0664 3  351.8100696  59516140443 836 1    42 537 1      C-13-H3C(O)CH3
 1087933.7748  0.0158 -4.9384 3  351.8100696  59516140443 836 1    42 637 1      C-13-H3C(O)CH3
 1088039.7646  0.1357 -5.6051 3 1567.9717620  595161404774037 4    764136 4      C-13-H3C(O)CH3
 1088039.8251  0.1358 -5.6051 3 1567.9716620  595161404774037 3    764136 3      C-13-H3C(O)CH3
 1088043.2567  0.0180 -4.2220 3  641.1619808  595161404502525 0    492426 0      C-13-H3C(O)CH3
 1088051.9687  0.0241 -4.2453 3  677.4551824  595161404512824 0    502525 0      C-13-H3C(O)CH3
 1088055.4668  0.0179 -4.2220 3  641.1619808  595161404502625 0    492326 0      C-13-H3C(O)CH3
 1088060.3160  0.1344 -5.6051 3 1567.9711620  595161404774137 4    764036 4      C-13-H3C(O)CH3
 1088060.3916  0.1344 -5.6051 3 1567.9711620  595161404774137 3    764036 3      C-13-H3C(O)CH3
 1088060.4901  0.1456 -5.3041 3 1567.9656C40  595161404774037 2    764136 2      C-13-H3C(O)CH3
 1088066.1836  0.1486 -5.3041 3 1567.9617C40  595161404774037 1    764136 1      C-13-H3C(O)CH3
 1088079.0426  0.1456 -5.3041 3 1567.9651C40  595161404774137 2    764036 2      C-13-H3C(O)CH3
 1088086.7205  0.1496 -5.3041 3 1567.9611C40  595161404774137 1    764036 1      C-13-H3C(O)CH3
 1088086.8093  0.1570 -5.3041 3 1567.9557C40  595161404774037 0    764136 0      C-13-H3C(O)CH3
 1088105.3309  0.1588 -5.3041 3 1567.9552C40  595161404774137 0    764036 0      C-13-H3C(O)CH3
 1088124.8690  0.0366 -4.2451 3  677.4448824  595161404512824 2    502525 2      C-13-H3C(O)CH3
 1088130.4439  0.0254 -4.2450 3  677.4462824  595161404512824 1    502525 1      C-13-H3C(O)CH3
 1088143.8967  0.0275 -4.2217 3  641.1483808  595161404502525 2    492426 2      C-13-H3C(O)CH3
 1088147.0067  0.0188 -4.2217 3  641.1496808  595161404502525 1    492426 1      C-13-H3C(O)CH3
 1088157.0821  0.0273 -4.2217 3  641.1482808  595161404502625 2    492326 2      C-13-H3C(O)CH3
 1088160.0322  0.0188 -4.2217 3  641.1496808  595161404502625 1    492326 1      C-13-H3C(O)CH3
 1088201.9927  0.0277 -4.6626 3  749.7970428  595161404533222 4    522923 4      C-13-H3C(O)CH3
 1088203.7140  0.0385 -4.5459 3  677.4359412  595161404512824 4    502525 4      C-13-H3C(O)CH3
 1088203.8263  0.0382 -4.5459 3  677.4360412  595161404512824 3    502525 3      C-13-H3C(O)CH3
 1088214.2180  0.0323 -5.4344 3  304.8856340  59516140442 438 4    41 239 4      C-13-H3C(O)CH3
 1088214.2180  0.0323 -5.4344 3  304.8856340  59516140442 538 4    41 339 4      C-13-H3C(O)CH3
 1088214.3260  0.0305 -5.5749 3  304.8856340  59516140442 538 3    41 339 3      C-13-H3C(O)CH3
 1088214.3260  0.0305 -5.5749 3  304.8856340  59516140442 438 3    41 239 3      C-13-H3C(O)CH3
 1088225.8496  0.0298 -4.6625 3  749.7969428  595161404533222 3    522923 3      C-13-H3C(O)CH3
 1088247.7790  0.0289 -4.5225 3  641.1359404  595161404502525 3    492426 3      C-13-H3C(O)CH3
 1088248.0598  0.0292 -4.5225 3  641.1359404  595161404502525 4    492426 4      C-13-H3C(O)CH3
 1088261.8493  0.0288 -4.5225 3  641.1359404  595161404502625 3    492326 3      C-13-H3C(O)CH3
 1088262.0801  0.0291 -4.5225 3  641.1359404  595161404502625 4    492326 4      C-13-H3C(O)CH3
 1088337.7431  0.0141 -5.8339 3  351.8147696  59516140443 836 0    42 537 0      C-13-H3C(O)CH3
 1088337.7431  0.0141 -4.7291 3  351.8147696  59516140443 836 0    42 637 0      C-13-H3C(O)CH3
 1088337.7431  0.0141 -5.3687 3  351.8147696  59516140443 736 0    42 637 0      C-13-H3C(O)CH3
 1088337.7431  0.0141 -4.8001 3  351.8147696  59516140443 736 0    42 537 0      C-13-H3C(O)CH3
 1088427.9801  0.2020 -5.8102 3 1785.8540692  595161404863255 4    853254 4      C-13-H3C(O)CH3
 1088427.9801  0.2020 -5.8102 3 1785.8540692  595161404863155 4    853154 4      C-13-H3C(O)CH3
 1088429.8004  0.3591 -4.4940 3  905.7622936  595161404583523 2    573424 2      C-13-H3C(O)CH3
 1088432.4906  0.2383 -4.4939 3  905.7623936  595161404583523 1    573424 1      C-13-H3C(O)CH3
 1088460.3774  0.2249 -5.5897 3 1785.8421D84  595161404863155 1    853254 1      C-13-H3C(O)CH3
 1088460.3774  0.2249 -5.5897 3 1785.8421D84  595161404863255 1    853154 1      C-13-H3C(O)CH3
 1088463.6093  0.2230 -5.7623 3 1785.8458D84  595161404863155 2    853254 2      C-13-H3C(O)CH3
 1088463.6093  0.2230 -5.8178 3 1785.8458D84  595161404863255 2    853254 2      C-13-H3C(O)CH3
 1088463.6093  0.2230 -5.8178 3 1785.8458D84  595161404863155 2    853154 2      C-13-H3C(O)CH3
 1088463.6093  0.2230 -5.7623 3 1785.8458D84  595161404863255 2    853154 2      C-13-H3C(O)CH3
 1088495.9232  0.2329 -5.6824 3 1785.8339D84  595161404863255 0    853154 0      C-13-H3C(O)CH3
 1088495.9232  0.2329 -5.4914 3 1785.8339D84  595161404863155 0    853154 0      C-13-H3C(O)CH3
 1088495.9232  0.2329 -5.8445 3 1785.8339D84  595161404863255 0    853254 0      C-13-H3C(O)CH3
 1088835.1504  0.0498 -4.1117 3  974.0435452  5951614045651 5 4    5550 5 4      C-13-H3C(O)CH3
 1088882.2064  0.0394 -3.8106 3  974.0260904  5951614045651 6 1    5550 5 1      C-13-H3C(O)CH3
 1088898.5291  0.3240 -5.7792 3 1935.8613F28  595161404952174 1    942173 1      C-13-H3C(O)CH3
 1088898.5291  0.3240 -5.7792 3 1935.8613F28  595161404952274 1    942273 1      C-13-H3C(O)CH3
 1088905.7483  0.3280 -5.6643 3 1935.8652F28  595161404952274 2    942173 2      C-13-H3C(O)CH3
 1088905.7483  0.3280 -5.6643 3 1935.8652F28  595161404952174 2    942273 2      C-13-H3C(O)CH3
 1088917.9001  0.0504 -4.1117 3  974.0392452  5951614045651 6 3    5550 6 3      C-13-H3C(O)CH3
 1088919.7923  0.3052 -5.6619 3 1935.8432F28  595161404952174 0    942173 0      C-13-H3C(O)CH3
 1088919.7923  0.3052 -5.6619 3 1935.8432F28  595161404952274 0    942273 0      C-13-H3C(O)CH3
 1088924.2449  0.0400 -3.8106 3  974.0084904  5951614045651 5 2    5550 5 2      C-13-H3C(O)CH3
 1088971.8559  0.0380 -3.8105 3  973.9907904  5951614045651 5 0    5550 6 0      C-13-H3C(O)CH3
 1088971.8559  0.0380 -3.8105 3  973.9907904  5951614045651 6 0    5550 5 0      C-13-H3C(O)CH3
 1088985.2191  0.0485 -4.1116 3  974.0395452  5951614045651 5 3    5550 5 3      C-13-H3C(O)CH3
 1088995.8545  0.0308 -5.6267 3  304.8554680  59516140442 438 2    41 239 2      C-13-H3C(O)CH3
 1088995.8545  0.0308 -5.6267 3  304.8554680  59516140442 538 2    41 339 2      C-13-H3C(O)CH3
 1088995.8545  0.0308 -5.2999 3  304.8554680  59516140442 538 2    41 239 2      C-13-H3C(O)CH3
 1088995.8545  0.0308 -5.2999 3  304.8554680  59516140442 438 2    41 339 2      C-13-H3C(O)CH3
 1088997.2177  0.0335 -5.1807 3  304.8558680  59516140442 438 1    41 339 1      C-13-H3C(O)CH3
 1088997.2177  0.0335 -5.1807 3  304.8558680  59516140442 538 1    41 239 1      C-13-H3C(O)CH3
 1089007.1852  0.0496 -3.8105 3  974.0041904  5951614045651 6 2    5550 6 2      C-13-H3C(O)CH3
 1089032.5265  0.0459 -3.8105 3  974.0220904  5951614045651 5 1    5550 6 1      C-13-H3C(O)CH3
 1089067.6560  0.0644 -4.1116 3  974.0351452  5951614045651 6 4    5550 6 4      C-13-H3C(O)CH3
 1089125.8673  0.2488 -4.4966 3  905.7566936  595161404583523 0    573424 0      C-13-H3C(O)CH3
 1089247.1585  0.2089 -5.8325 3 1806.9951700  595161404873057 4    863056 4      C-13-H3C(O)CH3
 1089247.1585  0.2089 -5.8325 3 1806.9951700  595161404873157 4    863156 4      C-13-H3C(O)CH3
 1089247.2040  0.2089 -5.8616 3 1806.9951700  595161404873057 3    863156 3      C-13-H3C(O)CH3
 1089247.2040  0.2089 -5.8616 3 1806.9951700  595161404873157 3    863056 3      C-13-H3C(O)CH3
 1089274.9098  0.1458 -5.7784 3  648.2018792  595161404493217 2    482919 2      C-13-H3C(O)CH3
 1089278.7414  0.2345 -5.5154 3 1806.9825E00  595161404873057 1    863056 1      C-13-H3C(O)CH3
 1089278.7414  0.2345 -5.5154 3 1806.9825E00  595161404873157 1    863156 1      C-13-H3C(O)CH3
 1089282.5582  0.2326 -5.6909 3 1806.9864E00  595161404873157 2    863056 2      C-13-H3C(O)CH3
 1089282.5582  0.2326 -5.6909 3 1806.9864E00  595161404873057 2    863156 2      C-13-H3C(O)CH3
 1089314.0636  0.2413 -5.6675 3 1806.9739E00  595161404873057 0    863156 0      C-13-H3C(O)CH3
 1089314.0636  0.2413 -5.6675 3 1806.9739E00  595161404873157 0    863056 0      C-13-H3C(O)CH3
 1089777.1294  0.0287 -5.1739 3  304.8256680  59516140442 438 0    41 339 0      C-13-H3C(O)CH3
 1089777.1294  0.0287 -5.1739 3  304.8256680  59516140442 538 0    41 239 0      C-13-H3C(O)CH3
 1090002.6536  0.1060 -4.6267 3  744.4014428  595161404533023 3    522924 3      C-13-H3C(O)CH3
 1090007.2984  0.1064 -4.6267 3  744.4014428  595161404533023 4    522924 4      C-13-H3C(O)CH3
 1090010.2868  0.3338 -5.6845 3 1951.4570F44  595161404962076 1    952075 1      C-13-H3C(O)CH3
 1090010.2868  0.3338 -5.6845 3 1951.4570F44  595161404962176 1    952175 1      C-13-H3C(O)CH3
 1090017.4397  0.3397 -5.6812 3 1951.4607F44  595161404962176 2    952175 2      C-13-H3C(O)CH3
 1090017.4397  0.3397 -5.6812 3 1951.4607F44  595161404962076 2    952075 2      C-13-H3C(O)CH3
 1090118.9196  0.2157 -5.8581 3 1827.5671708  595161404882959 3    873058 3      C-13-H3C(O)CH3
 1090118.9196  0.2157 -5.8581 3 1827.5671708  595161404883059 3    872958 3      C-13-H3C(O)CH3
 1090149.4956  0.2445 -5.5562 3 1827.5539E16  595161404883059 1    873058 1      C-13-H3C(O)CH3
 1090149.4956  0.2445 -5.5562 3 1827.5539E16  595161404882959 1    872958 1      C-13-H3C(O)CH3
 1090153.8864  0.2426 -5.5566 3 1827.5579E16  595161404882959 2    872958 2      C-13-H3C(O)CH3
 1090153.8864  0.2426 -5.5566 3 1827.5579E16  595161404883059 2    873058 2      C-13-H3C(O)CH3
 1090172.9202  0.1079 -4.3257 3  744.4057856  595161404533023 2    522924 2      C-13-H3C(O)CH3
 1090184.4332  0.2498 -5.8289 3 1827.5447E16  595161404882959 0    873058 0      C-13-H3C(O)CH3
 1090184.4332  0.2498 -5.8437 3 1827.5447E16  595161404883059 0    873058 0      C-13-H3C(O)CH3
 1090184.4332  0.2498 -5.8289 3 1827.5447E16  595161404883059 0    872958 0      C-13-H3C(O)CH3
 1090184.4332  0.2498 -5.8437 3 1827.5447E16  595161404882959 0    872958 0      C-13-H3C(O)CH3
 1090215.9103  0.0641 -4.3256 3  744.4071856  595161404533023 1    522924 1      C-13-H3C(O)CH3
 1090380.3619  0.0671 -4.3257 3  744.4114856  595161404533023 0    522924 0      C-13-H3C(O)CH3
 1090428.6576  0.0264 -5.1250 3  528.2449712  595161404443114 1    432816 1      C-13-H3C(O)CH3
 1090515.5020  0.1337 -5.6034 3 1540.1488612  595161404764135 3    754234 3      C-13-H3C(O)CH3
 1090515.5163  0.1332 -5.6034 3 1540.1489612  595161404764135 4    754234 4      C-13-H3C(O)CH3
 1090522.4076  0.1602 -5.7581 3  648.1809396  595161404493217 4    482919 4      C-13-H3C(O)CH3
 1090536.1707  0.1372 -5.3024 3 1540.1392C24  595161404764135 1    754234 1      C-13-H3C(O)CH3
 1090536.9530  0.1383 -5.3023 3 1540.1438C24  595161404764135 2    754234 2      C-13-H3C(O)CH3
 1090557.5485  0.1420 -5.3023 3 1540.1342C24  595161404764135 0    754234 0      C-13-H3C(O)CH3
 1090607.8109  0.0243 -4.8932 3  528.2561712  595161404443113 0    432816 0      C-13-H3C(O)CH3
 1090611.6787  0.0342 -5.3265 3  528.2309356  595161404443114 4    432816 4      C-13-H3C(O)CH3
 1090629.5888  0.0353 -4.1658 3  980.9025460  5951614045749 9 4    5648 9 4      C-13-H3C(O)CH3
 1090640.4613  0.0293 -5.0804 3  528.2467712  595161404443114 2    432816 2      C-13-H3C(O)CH3
 1090709.0677  0.0385 -4.1658 3  980.9169460  5951614045749 8 3    5648 8 3      C-13-H3C(O)CH3
 1090716.9998  0.0306 -3.8647 3  980.8802920  5951614045749 9 2    5648 9 2      C-13-H3C(O)CH3
 1090720.7883  0.0284 -3.8647 3  980.8949920  5951614045749 9 1    5648 9 1      C-13-H3C(O)CH3
 1090749.3462  0.0374 -4.1657 3  980.9049460  5951614045749 9 3    5648 9 3      C-13-H3C(O)CH3
 1090796.9768  0.0362 -3.8647 3  980.8945920  5951614045749 8 2    5648 8 2      C-13-H3C(O)CH3
 1090808.6112  0.0265 -3.8646 3  980.8724920  5951614045749 8 0    5648 8 0      C-13-H3C(O)CH3
 1090808.6112  0.0265 -3.8646 3  980.8724920  5951614045749 9 0    5648 9 0      C-13-H3C(O)CH3
 1090829.0381  0.0490 -4.1658 3  980.9192460  5951614045749 8 4    5648 8 4      C-13-H3C(O)CH3
 1090841.0450  0.0334 -3.8646 3  980.8972920  5951614045749 8 1    5648 8 1      C-13-H3C(O)CH3
 1090978.8451  0.1402 -5.3019 3 1540.1327C24  595161404764235 2    754134 2      C-13-H3C(O)CH3
 1090988.0147  0.1167 -5.6030 3 1540.1370612  595161404764235 4    754134 4      C-13-H3C(O)CH3
 1090988.1504  0.1167 -5.6030 3 1540.1370612  595161404764235 3    754134 3      C-13-H3C(O)CH3
 1090995.6956  0.1644 -5.3019 3 1540.1232C24  595161404764235 0    754134 0      C-13-H3C(O)CH3
 1091004.9467  0.1492 -5.3019 3 1540.1274C24  595161404764235 1    754134 1      C-13-H3C(O)CH3
 1091048.3630  0.2110 -4.7514 3 1009.2764492  595161404613823 3    603724 3      C-13-H3C(O)CH3
 1091064.0587  0.2551 -5.5821 3 1847.5619E32  595161404892861 1    882860 1      C-13-H3C(O)CH3
 1091064.0587  0.2551 -5.7255 3 1847.5619E32  595161404892961 1    882960 1      C-13-H3C(O)CH3
 1091068.0939  0.0191 -5.6928 3  366.6359616  595161404382117 2    371820 2      C-13-H3C(O)CH3
 1091069.0080  0.2533 -5.5867 3 1847.5661E32  595161404892861 2    882960 2      C-13-H3C(O)CH3
 1091069.0080  0.2533 -5.5867 3 1847.5661E32  595161404892961 2    882860 2      C-13-H3C(O)CH3
 1091098.4394  0.2584 -5.8070 3 1847.5521E32  595161404892961 0    882960 0      C-13-H3C(O)CH3
 1091098.4394  0.2584 -5.8070 3 1847.5521E32  595161404892861 0    882860 0      C-13-H3C(O)CH3
 1091138.8329  0.3416 -5.6823 3 1966.5162F60  595161404972078 1    961977 1      C-13-H3C(O)CH3
 1091138.8329  0.3416 -5.6823 3 1966.5162F60  595161404971978 1    962077 1      C-13-H3C(O)CH3
 1091145.7844  0.3495 -5.6823 3 1966.5196F60  595161404972078 2    961977 2      C-13-H3C(O)CH3
 1091145.7844  0.3495 -5.6823 3 1966.5196F60  595161404971978 2    962077 2      C-13-H3C(O)CH3
 1091153.2395  0.3181 -5.8112 3 1966.4956F60  595161404972078 0    961977 0      C-13-H3C(O)CH3
 1091153.2395  0.3181 -5.8112 3 1966.4956F60  595161404971978 0    962077 0      C-13-H3C(O)CH3
 1091156.1113  0.1733 -4.7550 3 1009.2750492  595161404613823 4    603724 4      C-13-H3C(O)CH3
 1091156.1675  0.0145 -5.6935 3  366.6645616  595161404382117 0    371820 0      C-13-H3C(O)CH3
 1091198.0695  0.0384 -5.4847 3  528.2404356  595161404443114 3    432816 3      C-13-H3C(O)CH3
 1091245.7480  0.0163 -5.6916 3  366.6391616  595161404382117 1    371820 1      C-13-H3C(O)CH3
 1091260.9498  0.0252 -5.5501 3  452.6069324  5951614044032 9 3    392910 3      C-13-H3C(O)CH3
 1091283.4310  0.1556 -4.4537 3 1009.2584984  595161404613823 1    603724 1      C-13-H3C(O)CH3
 1091296.9043  0.1961 -4.4538 3 1009.2583984  595161404613823 2    603724 2      C-13-H3C(O)CH3
 1091298.9496  0.0098 -4.5181 3  479.9690744  595161404461631 0    451432 0      C-13-H3C(O)CH3
 1091298.9496  0.0098 -4.6836 3  479.9690744  595161404461531 0    451432 0      C-13-H3C(O)CH3
 1091298.9496  0.0098 -4.5181 3  479.9690744  595161404461531 0    451332 0      C-13-H3C(O)CH3
 1091298.9496  0.0098 -4.6836 3  479.9690744  595161404461631 0    451332 0      C-13-H3C(O)CH3
 1091299.9137  0.0354 -5.2748 3  528.2449712  595161404443113 1    432816 1      C-13-H3C(O)CH3
 1091346.1653  0.0216 -5.2519 3  452.6005648  5951614044032 9 1    392911 1      C-13-H3C(O)CH3
 1091353.7201  0.0129 -4.3406 3  479.9393744  595161404461631 2    451332 2      C-13-H3C(O)CH3
 1091353.7201  0.0129 -5.2650 3  479.9393744  595161404461531 2    451332 2      C-13-H3C(O)CH3
 1091353.7201  0.0129 -4.3406 3  479.9393744  595161404461531 2    451432 2      C-13-H3C(O)CH3
 1091353.7201  0.0129 -5.2650 3  479.9393744  595161404461631 2    451432 2      C-13-H3C(O)CH3
 1091355.9699  0.0128 -4.3175 3  479.9402744  595161404461631 1    451432 1      C-13-H3C(O)CH3
 1091355.9699  0.0128 -5.5315 3  479.9402744  595161404461531 1    451432 1      C-13-H3C(O)CH3
 1091355.9699  0.0128 -4.3175 3  479.9402744  595161404461531 1    451332 1      C-13-H3C(O)CH3
 1091355.9699  0.0128 -5.5315 3  479.9402744  595161404461631 1    451332 1      C-13-H3C(O)CH3
 1091377.2777  0.0224 -5.2515 3  452.6378648  5951614044032 8 2    392910 2      C-13-H3C(O)CH3
 1091378.3958  0.0253 -5.5523 3  452.5831324  5951614044032 9 4    392911 4      C-13-H3C(O)CH3
 1091410.6850  0.0144 -4.9753 3  479.9104372  595161404461631 4    451432 4      C-13-H3C(O)CH3
 1091410.6850  0.0144 -4.8248 3  479.9104372  595161404461631 4    451332 4      C-13-H3C(O)CH3
 1091410.6850  0.0144 -4.8248 3  479.9104372  595161404461531 4    451432 4      C-13-H3C(O)CH3
 1091410.6850  0.0144 -4.9753 3  479.9104372  595161404461531 4    451332 4      C-13-H3C(O)CH3
 1091410.8484  0.0144 -4.6705 3  479.9105372  595161404461631 3    451332 3      C-13-H3C(O)CH3
 1091410.8484  0.0144 -5.3768 3  479.9105372  595161404461631 3    451432 3      C-13-H3C(O)CH3
 1091410.8484  0.0144 -5.3768 3  479.9105372  595161404461531 3    451332 3      C-13-H3C(O)CH3
 1091410.8484  0.0144 -4.6705 3  479.9105372  595161404461531 3    451432 3      C-13-H3C(O)CH3
 1091465.8833  0.0210 -5.2543 3  452.6312648  5951614044032 9 0    392910 0      C-13-H3C(O)CH3
 1091467.7247  0.0210 -5.2543 3  452.6312648  5951614044032 8 0    392911 0      C-13-H3C(O)CH3
 1091480.0537  0.0508 -5.5055 3  528.2404356  595161404443113 3    432816 3      C-13-H3C(O)CH3
 1091485.1138  0.1597 -4.4553 3 1009.2412984  595161404613823 0    603724 0      C-13-H3C(O)CH3
 1091496.8123  0.0211 -5.2538 3  452.6141648  5951614044032 9 2    392911 2      C-13-H3C(O)CH3
 1091543.5723  0.0293 -5.5502 3  452.6263324  5951614044032 8 4    392910 4      C-13-H3C(O)CH3
 1091629.9824  0.0231 -5.2520 3  452.6199648  5951614044032 8 1    392910 1      C-13-H3C(O)CH3
 1091664.3991  0.0259 -5.5525 3  452.6026324  5951614044032 8 3    392911 3      C-13-H3C(O)CH3
 1091792.8148  0.0518 -5.3509 3  528.2467712  595161404443113 2    432816 2      C-13-H3C(O)CH3
 1091829.7137  0.0514 -5.6560 3  460.5391340  595161404422517 3    412220 3      C-13-H3C(O)CH3
 1091832.0594  0.0481 -5.3573 3  460.5616680  595161404422517 2    412220 2      C-13-H3C(O)CH3
 1091838.5908  0.0511 -5.6560 3  460.5390340  595161404422517 4    412220 4      C-13-H3C(O)CH3
 1091909.1741  0.2794 -5.2501 3 1027.2057984  595161404614121 2    604020 2      C-13-H3C(O)CH3
 1092001.4641  0.2151 -5.0959 3 1027.2023984  595161404614121 1    604020 1      C-13-H3C(O)CH3
 1092015.8169  0.2663 -5.6054 3 1867.0116E48  595161404902863 1    892862 1      C-13-H3C(O)CH3
 1092015.8169  0.2663 -5.6054 3 1867.0116E48  595161404902763 1    892762 1      C-13-H3C(O)CH3
 1092021.3012  0.2646 -5.5818 3 1867.0159E48  595161404902763 2    892862 2      C-13-H3C(O)CH3
 1092021.3012  0.2646 -5.5818 3 1867.0159E48  595161404902863 2    892762 2      C-13-H3C(O)CH3
 1092049.4488  0.2671 -5.7473 3 1867.0010E48  595161404902863 0    892862 0      C-13-H3C(O)CH3
 1092049.4488  0.2671 -5.7473 3 1867.0010E48  595161404902763 0    892762 0      C-13-H3C(O)CH3
 1092135.8644  0.0322 -4.2294 3  989.4738468  595161404584712 4    574612 4      C-13-H3C(O)CH3
 1092189.9193  0.0269 -5.3584 3  460.5657680  595161404422517 1    412220 1      C-13-H3C(O)CH3
 1092192.0419  0.0266 -5.3607 3  460.5882680  595161404422517 0    412220 0      C-13-H3C(O)CH3
 1092197.4705  0.0337 -4.2276 3 1027.1559984  595161404614121 0    604020 0      C-13-H3C(O)CH3
 1092242.8274  0.0308 -3.9282 3  989.4559936  595161404584712 2    574612 2      C-13-H3C(O)CH3
 1092245.4398  0.2719 -5.6256 3 1511.3256604  595161404754233 3    744332 3      C-13-H3C(O)CH3
 1092245.7915  0.2667 -5.6256 3 1511.3256604  595161404754233 4    744332 4      C-13-H3C(O)CH3
 1092248.0637  0.0403 -4.5421 3 1027.2549492  595161404614120 4    604020 4      C-13-H3C(O)CH3
 1092248.2434  0.0327 -4.2294 3  989.4980468  595161404584711 3    574611 3      C-13-H3C(O)CH3
 1092258.1331  0.0345 -4.2294 3  989.4847468  595161404584712 3    574612 3      C-13-H3C(O)CH3
 1092269.5886  0.0253 -3.9281 3  989.4608936  595161404584712 1    574612 1      C-13-H3C(O)CH3
 1092281.3306  0.2488 -5.3245 3 1511.3163C08  595161404754233 1    744332 1      C-13-H3C(O)CH3
 1092284.1298  0.0343 -4.2710 3 1027.2057984  595161404614120 2    604020 2      C-13-H3C(O)CH3
 1092290.0135  0.3566 -5.7051 3 1981.0436F76  595161404981880 2    971879 2      C-13-H3C(O)CH3
 1092290.0135  0.3566 -5.7051 3 1981.0436F76  595161404981980 2    971979 2      C-13-H3C(O)CH3
 1092292.8628  0.1879 -4.6605 3 1027.2403492  595161404614121 3    604020 3      C-13-H3C(O)CH3
 1092293.6298  0.3221 -5.7934 3 1981.0189F76  595161404981880 0    971979 0      C-13-H3C(O)CH3
 1092293.6298  0.3221 -5.7934 3 1981.0189F76  595161404981980 0    971879 0      C-13-H3C(O)CH3
 1092302.4635  0.0355 -4.2909 3 1027.2023984  595161404614120 1    604020 1      C-13-H3C(O)CH3
 1092355.5863  0.0295 -3.9282 3  989.4800936  595161404584711 2    574611 2      C-13-H3C(O)CH3
 1092370.9526  0.0383 -4.2294 3  989.5088468  595161404584711 4    574611 4      C-13-H3C(O)CH3
 1092376.2027  0.3036 -5.3241 3 1511.3207C08  595161404754233 2    744332 2      C-13-H3C(O)CH3
 1092376.6676  0.0237 -3.9280 3  989.4428936  595161404584711 0    574612 0      C-13-H3C(O)CH3
 1092376.6676  0.0237 -3.9280 3  989.4428936  595161404584712 0    574611 0      C-13-H3C(O)CH3
 1092392.1836  0.0265 -3.9281 3  989.4717936  595161404584711 1    574611 1      C-13-H3C(O)CH3
 1092411.4385  0.2524 -5.3240 3 1511.3115C08  595161404754233 0    744332 0      C-13-H3C(O)CH3
 1092418.7071  0.0625 -5.1090 3 1027.2403492  595161404614120 3    604020 3      C-13-H3C(O)CH3
 1092521.1771  0.0338 -4.2273 3 1027.1485984  595161404614120 0    604021 0      C-13-H3C(O)CH3
 1092526.8179  0.0598 -5.1089 3 1027.2325492  595161404614121 3    604021 3      C-13-H3C(O)CH3
 1092534.6289  0.0365 -4.2702 3 1027.1848984  595161404614121 2    604021 2      C-13-H3C(O)CH3
 1092540.5316  0.2555 -4.7832 3 1050.9462500  595161404624023 4    613922 4      C-13-H3C(O)CH3
 1092543.4926  0.0353 -4.2901 3 1027.1843984  595161404614121 1    604021 1      C-13-H3C(O)CH3
 1092570.1061  0.0752 -4.3680 3 1050.8811A00  595161404624023 0    613922 0      C-13-H3C(O)CH3
 1092612.5570  0.3255 -4.7863 3  872.4148460  595161404573423 3    563324 3      C-13-H3C(O)CH3
 1092635.0272  0.3199 -4.7865 3  872.4146460  595161404573423 4    563324 4      C-13-H3C(O)CH3
 1092636.5354  0.0665 -5.7754 3  528.2309356  595161404443113 4    432816 4      C-13-H3C(O)CH3
 1092648.4970  0.1030 -4.3980 3 1050.9116A00  595161404624023 2    613922 2      C-13-H3C(O)CH3
 1092652.6622  0.1931 -4.6603 3 1027.2325492  595161404614120 3    604021 3      C-13-H3C(O)CH3
 1092669.3504  0.0921 -4.3992 3 1050.9122A00  595161404624023 1    613922 1      C-13-H3C(O)CH3
 1092697.5824  0.0511 -4.5406 3 1027.2181492  595161404614121 4    604021 4      C-13-H3C(O)CH3
 1092712.2298  0.0979 -4.0683 3  979.3882444  5951614045554 1 4    5453 1 4      C-13-H3C(O)CH3
 1092734.7924  0.0262 -4.8835 3  563.3198744  595161404462917 0    452620 0      C-13-H3C(O)CH3
 1092748.4247  0.0804 -3.7671 3  979.3337888  5951614045554 2 1    5453 2 1      C-13-H3C(O)CH3
 1092844.4921  0.2284 -5.0954 3 1027.1843984  595161404614120 1    604021 1      C-13-H3C(O)CH3
 1092868.9420  0.0810 -3.7670 3  979.3355888  5951614045554 1 2    5453 1 2      C-13-H3C(O)CH3
 1092880.0295  0.0910 -4.0681 3  979.3624444  5951614045554 2 3    5453 2 3      C-13-H3C(O)CH3
 1092904.9490  0.0855 -3.7669 3  979.2811888  5951614045554 1 0    5453 2 0      C-13-H3C(O)CH3
 1092904.9490  0.0855 -3.7669 3  979.2811888  5951614045554 2 0    5453 1 0      C-13-H3C(O)CH3
 1092909.0715  0.0273 -4.8821 3  563.3040744  595161404462917 1    452620 1      C-13-H3C(O)CH3
 1092909.5845  0.2950 -5.2495 3 1027.1848984  595161404614120 2    604021 2      C-13-H3C(O)CH3
 1092937.2575  0.0871 -4.0681 3  979.3939444  5951614045554 1 3    5453 1 3      C-13-H3C(O)CH3
 1092941.8435  0.0272 -4.8820 3  563.2998744  595161404462917 2    452620 2      C-13-H3C(O)CH3
 1092968.2352  0.0673 -4.6671 3 1050.9395500  595161404624023 3    613922 3      C-13-H3C(O)CH3
 1092972.8313  0.0883 -3.7670 3  979.3394888  5951614045554 1 1    5453 1 1      C-13-H3C(O)CH3
 1092978.4379  0.0121 -4.2235 3  561.0872776  595161404482028 0    471929 0      C-13-H3C(O)CH3
 1092978.4385  0.0121 -4.2235 3  561.0872776  595161404482128 0    471829 0      C-13-H3C(O)CH3
 1092999.6267  0.2781 -5.6739 3 1885.9069E64  595161404912765 1    902664 1      C-13-H3C(O)CH3
 1092999.6267  0.2781 -5.6739 3 1885.9069E64  595161404912665 1    902764 1      C-13-H3C(O)CH3
 1093005.6111  0.2768 -5.7515 3 1885.9113E64  595161404912765 2    902764 2      C-13-H3C(O)CH3
 1093005.6111  0.2768 -5.7515 3 1885.9113E64  595161404912665 2    902664 2      C-13-H3C(O)CH3
 1093032.2904  0.2761 -5.8278 3 1885.8955E64  595161404912665 0    902764 0      C-13-H3C(O)CH3
 1093032.2904  0.2761 -5.8278 3 1885.8955E64  595161404912765 0    902664 0      C-13-H3C(O)CH3
 1093036.0868  0.0984 -3.7669 3  979.3098888  5951614045554 2 2    5453 2 2      C-13-H3C(O)CH3
 1093065.6838  0.0287 -5.1800 3  563.2839372  595161404462917 3    452620 3      C-13-H3C(O)CH3
 1093102.8033  0.0159 -4.2232 3  561.0641776  595161404482028 2    471929 2      C-13-H3C(O)CH3
 1093102.8039  0.0159 -4.2232 3  561.0641776  595161404482128 2    471829 2      C-13-H3C(O)CH3
 1093103.6262  0.0133 -4.2231 3  561.0652776  595161404482028 1    471929 1      C-13-H3C(O)CH3
 1093103.6269  0.0133 -4.2231 3  561.0652776  595161404482128 1    471829 1      C-13-H3C(O)CH3
 1093104.5439  0.1105 -4.0680 3  979.3680444  5951614045554 2 4    5453 2 4      C-13-H3C(O)CH3
 1093173.7271  0.0265 -5.1834 3  563.2838372  595161404462917 4    452620 4      C-13-H3C(O)CH3
 1093207.8668  0.0351 -4.3056 3  999.8965476  595161404594515 4    584415 4      C-13-H3C(O)CH3
 1093228.1944  0.0176 -4.5238 3  561.0420388  595161404482028 3    471929 3      C-13-H3C(O)CH3
 1093228.1952  0.0176 -4.5238 3  561.0420388  595161404482128 3    471829 3      C-13-H3C(O)CH3
 1093228.3506  0.0177 -4.5238 3  561.0420388  595161404482028 4    471929 4      C-13-H3C(O)CH3
 1093228.3513  0.0177 -4.5238 3  561.0420388  595161404482128 4    471829 4      C-13-H3C(O)CH3
 1093327.7282  0.3392 -4.4872 3  872.4114920  595161404573423 2    563324 2      C-13-H3C(O)CH3
 1093332.5706  0.0314 -4.0043 3  999.8723952  595161404594515 2    584415 2      C-13-H3C(O)CH3
 1093354.8229  0.2194 -4.4871 3  872.4118920  595161404573423 1    563324 1      C-13-H3C(O)CH3
 1093360.7466  0.0355 -4.3055 3  999.9102476  595161404594515 3    584415 3      C-13-H3C(O)CH3
 1093362.1337  0.0243 -4.0042 3  999.8681952  595161404594515 1    584415 1      C-13-H3C(O)CH3
 1093370.6981  0.0318 -4.3054 3  999.9171476  595161404594514 3    584414 3      C-13-H3C(O)CH3
 1093443.4362  0.3479 -5.7322 3 1995.0318F92  595161404991882 1    981881 1      C-13-H3C(O)CH3
 1093449.5674  0.3600 -5.7508 3 1995.0344F92  595161404991882 2    981881 2      C-13-H3C(O)CH3
 1093449.5674  0.3600 -5.7553 3 1995.0344F92  595161404991882 2    981781 2      C-13-H3C(O)CH3
 1093486.8462  0.0201 -4.0040 3  999.8439952  595161404594515 0    584414 0      C-13-H3C(O)CH3
 1093486.8472  0.0201 -4.0040 3  999.8439952  595161404594514 0    584415 0      C-13-H3C(O)CH3
 1093495.5406  0.0278 -4.0041 3  999.8929952  595161404594514 2    584414 2      C-13-H3C(O)CH3
 1093515.0631  0.0240 -4.0041 3  999.8817952  595161404594514 1    584414 1      C-13-H3C(O)CH3
 1093523.8808  0.0355 -4.3053 3  999.9307476  595161404594514 4    584414 4      C-13-H3C(O)CH3
 1093528.9022  0.0353 -4.4005 3 1012.3741484  595161404604318 4    594218 4      C-13-H3C(O)CH3
 1093642.6458  0.0293 -4.0991 3 1012.3361968  595161404604318 2    594218 2      C-13-H3C(O)CH3
 1093665.2254  0.0270 -4.0991 3 1012.3287968  595161404604318 1    594218 1      C-13-H3C(O)CH3
 1093722.8239  0.0363 -4.4007 3 1012.3789484  595161404604317 3    594217 3      C-13-H3C(O)CH3
 1093737.8384  0.0364 -4.4006 3 1012.3782484  595161404604318 3    594218 3      C-13-H3C(O)CH3
 1093778.6316  0.0191 -4.0987 3 1012.2908968  595161404604318 0    594217 0      C-13-H3C(O)CH3
 1093779.5821  0.0191 -4.0987 3 1012.2908968  595161404604317 0    594218 0      C-13-H3C(O)CH3
 1093851.6857  0.0306 -4.0986 3 1012.3403968  595161404604317 2    594217 2      C-13-H3C(O)CH3
 1093859.1506  0.0266 -4.0987 3 1012.3336968  595161404604317 1    594217 1      C-13-H3C(O)CH3
 1093931.8147  0.0438 -4.3997 3 1012.3831484  595161404604317 4    594217 4      C-13-H3C(O)CH3
 1093948.2363  0.0141 -5.8474 3  434.3343364  595161404451233 4    441134 4      C-13-H3C(O)CH3
 1093948.2363  0.0141 -4.7184 3  434.3343364  595161404451233 4    441034 4      C-13-H3C(O)CH3
 1093948.2363  0.0141 -5.8474 3  434.3343364  595161404451333 4    441034 4      C-13-H3C(O)CH3
 1093948.2363  0.0141 -4.7184 3  434.3343364  595161404451333 4    441134 4      C-13-H3C(O)CH3
 1093948.6744  0.0140 -5.0770 3  434.3343364  595161404451333 3    441134 3      C-13-H3C(O)CH3
 1093948.6744  0.0140 -4.9147 3  434.3343364  595161404451333 3    441034 3      C-13-H3C(O)CH3
 1093948.6744  0.0140 -4.9147 3  434.3343364  595161404451233 3    441134 3      C-13-H3C(O)CH3
 1093948.6744  0.0140 -5.0770 3  434.3343364  595161404451233 3    441034 3      C-13-H3C(O)CH3
 1093995.5897  0.0137 -4.4341 3  434.3618728  595161404451333 2    441134 2      C-13-H3C(O)CH3
 1093995.5897  0.0137 -5.3689 3  434.3618728  595161404451233 2    441134 2      C-13-H3C(O)CH3
 1093995.5897  0.0137 -4.4341 3  434.3618728  595161404451233 2    441034 2      C-13-H3C(O)CH3
 1093995.5897  0.0137 -5.3689 3  434.3618728  595161404451333 2    441034 2      C-13-H3C(O)CH3
 1093998.3968  0.0139 -4.4053 3  434.3626728  595161404451233 1    441034 1      C-13-H3C(O)CH3
 1093998.3968  0.0139 -5.7562 3  434.3626728  595161404451233 1    441134 1      C-13-H3C(O)CH3
 1093998.3968  0.0139 -4.3896 3  434.3626728  595161404451333 1    441034 1      C-13-H3C(O)CH3
 1094011.4599  0.2905 -5.7284 3 1904.2517E80  595161404922667 1    912666 1      C-13-H3C(O)CH3
 1094011.4599  0.2905 -5.7284 3 1904.2517E80  595161404922567 1    912566 1      C-13-H3C(O)CH3
 1094017.8959  0.2897 -5.7030 3 1904.2562E80  595161404922567 2    912666 2      C-13-H3C(O)CH3
 1094017.8959  0.2897 -5.7030 3 1904.2562E80  595161404922667 2    912566 2      C-13-H3C(O)CH3
 1094045.2674  0.0108 -4.7637 3  434.3901728  595161404451233 0    441134 0      C-13-H3C(O)CH3
 1094045.2674  0.0108 -4.6226 3  434.3901728  595161404451333 0    441134 0      C-13-H3C(O)CH3
 1094045.2674  0.0108 -4.7637 3  434.3901728  595161404451333 0    441034 0      C-13-H3C(O)CH3
 1094045.2674  0.0108 -4.6226 3  434.3901728  595161404451233 0    441034 0      C-13-H3C(O)CH3
 1094060.2203  0.2308 -4.4889 3  872.4086920  595161404573423 0    563324 0      C-13-H3C(O)CH3
 1094080.2585  0.7723 -5.7258 3 1518.1332604  595161404754332 3    744431 3      C-13-H3C(O)CH3
 1094080.6659  0.7586 -5.7258 3 1518.1333604  595161404754332 4    744431 4      C-13-H3C(O)CH3
 1094189.3855  0.7170 -5.4245 3 1518.1240C08  595161404754332 1    744431 1      C-13-H3C(O)CH3
 1094528.0838  0.9129 -5.4234 3 1518.1261C08  595161404754332 2    744431 2      C-13-H3C(O)CH3
 1094624.0667  0.3588 -5.7283 3 2008.4936G08  595161404A01684 2    991783 2      C-13-H3C(O)CH3
 1094624.0667  0.3588 -5.7404 3 2008.4936G08  595161404A01784 2    991683 2      C-13-H3C(O)CH3
 1094635.9652  0.7614 -5.4231 3 1518.1169C08  595161404754332 0    744431 0      C-13-H3C(O)CH3
 1094655.4240  0.0237 -5.5952 3  421.4694616  5951614043833 6 2    3730 8 2      C-13-H3C(O)CH3
 1094690.9945  0.1692 -5.7063 3 1682.7467652  595161404813744 4    803843 4      C-13-H3C(O)CH3
 1094690.9946  0.1692 -5.7063 3 1682.7467652  595161404813844 4    803743 4      C-13-H3C(O)CH3
 1094691.0612  0.1692 -5.7063 3 1682.7467652  595161404813744 3    803843 3      C-13-H3C(O)CH3
 1094691.0613  0.1692 -5.7063 3 1682.7467652  595161404813844 3    803743 3      C-13-H3C(O)CH3
 1094725.0996  0.1819 -5.4056 3 1682.7408D04  595161404813744 2    803843 2      C-13-H3C(O)CH3
 1094725.0996  0.1819 -5.4056 3 1682.7408D04  595161404813844 2    803743 2      C-13-H3C(O)CH3
 1094725.9216  0.0267 -5.1725 3  549.9084728  595161404453115 1    442817 1      C-13-H3C(O)CH3
 1094726.1263  0.1846 -5.4052 3 1682.7377D04  595161404813744 1    803843 1      C-13-H3C(O)CH3
 1094726.1265  0.1846 -5.4052 3 1682.7377D04  595161404813844 1    803743 1      C-13-H3C(O)CH3
 1094752.3288  0.0252 -5.5936 3  421.4506616  5951614043833 6 1    3730 8 1      C-13-H3C(O)CH3
 1094760.1130  0.1953 -5.4054 3 1682.7318D04  595161404813744 0    803843 0      C-13-H3C(O)CH3
 1094760.1131  0.1953 -5.4054 3 1682.7318D04  595161404813844 0    803743 0      C-13-H3C(O)CH3
 1094785.0288  0.0615 -4.1124 3  984.1450452  5951614045652 4 4    5551 4 4      C-13-H3C(O)CH3
 1094805.8899  0.0361 -5.3889 3  549.8965364  595161404453115 4    442817 4      C-13-H3C(O)CH3
 1094824.5874  0.0487 -3.8114 3  984.1208904  5951614045652 5 1    5551 4 1      C-13-H3C(O)CH3
 1094825.6039  0.1768 -5.7285 3 1707.5226660  595161404823646 4    813745 4      C-13-H3C(O)CH3
 1094825.6039  0.1768 -5.7286 3 1707.5226660  595161404823746 4    813645 4      C-13-H3C(O)CH3
 1094825.6678  0.1768 -5.7286 3 1707.5226660  595161404823646 3    813745 3      C-13-H3C(O)CH3
 1094825.6678  0.1768 -5.7287 3 1707.5226660  595161404823746 3    813645 3      C-13-H3C(O)CH3
 1094836.7494  0.1616 -5.6857 3 1657.3058644  595161404803842 4    793941 4      C-13-H3C(O)CH3
 1094836.7543  0.1616 -5.6857 3 1657.3058644  595161404803942 4    793841 4      C-13-H3C(O)CH3
 1094836.8186  0.1616 -5.6857 3 1657.3058644  595161404803842 3    793941 3      C-13-H3C(O)CH3
 1094836.8235  0.1616 -5.6857 3 1657.3058644  595161404803942 3    793841 3      C-13-H3C(O)CH3
 1094850.9392  0.0245 -5.5930 3  421.4831616  5951614043833 5 2    3730 7 2      C-13-H3C(O)CH3
 1094860.8800  0.1904 -5.4295 3 1707.5166D20  595161404823746 2    813645 2      C-13-H3C(O)CH3
 1094860.8800  0.1904 -5.4295 3 1707.5166D20  595161404823646 2    813745 2      C-13-H3C(O)CH3
 1094861.0503  0.1929 -5.4277 3 1707.5135D20  595161404823646 1    813745 1      C-13-H3C(O)CH3
 1094861.0503  0.1929 -5.4275 3 1707.5135D20  595161404823746 1    813645 1      C-13-H3C(O)CH3
 1094869.0161  0.1735 -5.3848 3 1657.2999C88  595161404803842 2    793941 2      C-13-H3C(O)CH3
 1094869.0200  0.1735 -5.3848 3 1657.2999C88  595161404803942 2    793841 2      C-13-H3C(O)CH3
 1094871.1215  0.1764 -5.3847 3 1657.2967C88  595161404803842 1    793941 1      C-13-H3C(O)CH3
 1094871.1269  0.1764 -5.3847 3 1657.2967C88  595161404803942 1    793841 1      C-13-H3C(O)CH3
 1094879.0553  0.0598 -4.1124 3  984.1349452  5951614045652 5 3    5551 5 3      C-13-H3C(O)CH3
 1094886.7715  0.0320 -5.1363 3  549.9088728  595161404453115 2    442817 2      C-13-H3C(O)CH3
 1094887.5536  0.0493 -3.8113 3  984.1057904  5951614045652 4 2    5551 4 2      C-13-H3C(O)CH3
 1094896.2128  0.2038 -5.4281 3 1707.5076D20  595161404823646 0    813745 0      C-13-H3C(O)CH3
 1094896.2128  0.2038 -5.4285 3 1707.5076D20  595161404823746 0    813645 0      C-13-H3C(O)CH3
 1094903.2660  0.1868 -5.3847 3 1657.2909C88  595161404803842 0    793941 0      C-13-H3C(O)CH3
 1094903.2702  0.1868 -5.3847 3 1657.2909C88  595161404803942 0    793841 0      C-13-H3C(O)CH3
 1094925.8508  0.0243 -5.5972 3  421.4944616  5951614043833 6 0    3730 7 0      C-13-H3C(O)CH3
 1094925.8536  0.0243 -5.5972 3  421.4944616  5951614043833 5 0    3730 8 0      C-13-H3C(O)CH3
 1094927.5803  0.0484 -3.8112 3  984.0815904  5951614045652 4 0    5551 5 0      C-13-H3C(O)CH3
 1094927.5803  0.0484 -3.8112 3  984.0815904  5951614045652 5 0    5551 4 0      C-13-H3C(O)CH3
 1094935.9746  0.0237 -4.8488 3  549.9185728  595161404453114 0    442817 0      C-13-H3C(O)CH3
 1094949.8292  0.0576 -4.1123 3  984.1425452  5951614045652 4 3    5551 4 3      C-13-H3C(O)CH3
 1094981.5272  0.0606 -3.8112 3  984.0957904  5951614045652 5 2    5551 5 2      C-13-H3C(O)CH3
 1094989.4074  0.0555 -3.8112 3  984.1184904  5951614045652 4 1    5551 5 1      C-13-H3C(O)CH3
 1095004.1182  0.0747 -5.5296 3 1050.9116A00  595161404624022 2    613922 2      C-13-H3C(O)CH3
 1095028.8214  0.0648 -5.5139 3 1050.9122A00  595161404624022 1    613922 1      C-13-H3C(O)CH3
 1095043.3601  0.0753 -4.1122 3  984.1324452  5951614045652 5 4    5551 5 4      C-13-H3C(O)CH3
 1095048.1466  0.3033 -5.6835 3 1922.0491E96  595161404932569 1    922568 1      C-13-H3C(O)CH3
 1095048.1466  0.3033 -5.6835 3 1922.0491E96  595161404932469 1    922468 1      C-13-H3C(O)CH3
 1095054.9700  0.3034 -5.6921 3 1922.0536E96  595161404932469 2    922468 2      C-13-H3C(O)CH3
 1095054.9700  0.3034 -5.6921 3 1922.0536E96  595161404932569 2    922568 2      C-13-H3C(O)CH3
 1095078.0748  0.2947 -5.6728 3 1922.0355E96  595161404932469 0    922568 0      C-13-H3C(O)CH3
 1095078.0748  0.2947 -5.6728 3 1922.0355E96  595161404932569 0    922468 0      C-13-H3C(O)CH3
 1095163.7272  0.1844 -5.7839 3 1731.6600668  595161404833548 3    823547 3      C-13-H3C(O)CH3
 1095163.7272  0.1844 -5.7839 3 1731.6600668  595161404833648 3    823647 3      C-13-H3C(O)CH3
 1095198.8354  0.0956 -5.2976 3 1050.9462500  595161404624022 4    613922 4      C-13-H3C(O)CH3
 1095199.1256  0.2013 -5.5237 3 1731.6507D36  595161404833548 1    823547 1      C-13-H3C(O)CH3
 1095199.1256  0.2013 -5.5237 3 1731.6507D36  595161404833648 1    823647 1      C-13-H3C(O)CH3
 1095199.6891  0.1990 -5.6301 3 1731.6539D36  595161404833648 2    823647 2      C-13-H3C(O)CH3
 1095199.6891  0.1990 -5.6301 3 1731.6539D36  595161404833548 2    823547 2      C-13-H3C(O)CH3
 1095235.0402  0.2124 -5.4735 3 1731.6447D36  595161404833648 0    823647 0      C-13-H3C(O)CH3
 1095235.0402  0.2124 -5.4735 3 1731.6447D36  595161404833548 0    823547 0      C-13-H3C(O)CH3
 1095263.5019  0.0250 -5.5945 3  421.4730616  5951614043833 5 1    3730 7 1      C-13-H3C(O)CH3
 1095384.9631  0.1537 -5.6677 3 1631.1631636  595161404793940 4    784039 4      C-13-H3C(O)CH3
 1095385.0340  0.1537 -5.6677 3 1631.1630636  595161404793940 3    784039 3      C-13-H3C(O)CH3
 1095385.1560  0.1537 -5.6677 3 1631.1630636  595161404794040 4    783939 4      C-13-H3C(O)CH3
 1095385.2271  0.1537 -5.6677 3 1631.1630636  595161404794040 3    783939 3      C-13-H3C(O)CH3
 1095406.2349  0.2750 -4.6008 3 1113.3873A32  595161404644025 0    633924 0      C-13-H3C(O)CH3
 1095414.2697  0.1650 -5.3667 3 1631.1573C72  595161404793940 2    784039 2      C-13-H3C(O)CH3
 1095414.4314  0.1650 -5.3667 3 1631.1573C72  595161404794040 2    783939 2      C-13-H3C(O)CH3
 1095417.8593  0.1683 -5.3667 3 1631.1540C72  595161404793940 1    784039 1      C-13-H3C(O)CH3
 1095418.0590  0.1683 -5.3667 3 1631.1540C72  595161404794040 1    783939 1      C-13-H3C(O)CH3
 1095447.0425  0.1782 -5.3667 3 1631.1483C72  595161404793940 0    784039 0      C-13-H3C(O)CH3
 1095447.2100  0.1783 -5.3667 3 1631.1483C72  595161404794040 0    783939 0      C-13-H3C(O)CH3
 1095612.6007  0.0426 -5.5965 3  549.9007364  595161404453115 3    442817 3      C-13-H3C(O)CH3
 1095631.6067  0.0155 -5.3617 3  388.0807356  59516140444 935 4    43 836 4      C-13-H3C(O)CH3
 1095631.6067  0.0155 -4.9999 3  388.0807356  59516140444 935 4    43 736 4      C-13-H3C(O)CH3
 1095631.6067  0.0155 -4.8432 3  388.0807356  595161404441035 4    43 836 4      C-13-H3C(O)CH3
 1095632.2949  0.0149 -4.8838 3  388.0807356  59516140444 935 3    43 836 3      C-13-H3C(O)CH3
 1095632.2949  0.0149 -5.2133 3  388.0807356  595161404441035 3    43 836 3      C-13-H3C(O)CH3
 1095632.2949  0.0149 -5.0846 3  388.0807356  595161404441035 3    43 736 3      C-13-H3C(O)CH3
 1095654.1812  0.1920 -5.8582 3 1755.1787676  595161404843450 3    833449 3      C-13-H3C(O)CH3
 1095654.1812  0.1920 -5.8582 3 1755.1787676  595161404843550 3    833549 3      C-13-H3C(O)CH3
 1095673.9162  0.0363 -5.1276 3  549.9084728  595161404453114 1    442817 1      C-13-H3C(O)CH3
 1095689.3750  0.2099 -5.8360 3 1755.1692D52  595161404843450 1    833549 1      C-13-H3C(O)CH3
 1095689.3750  0.2099 -5.7228 3 1755.1692D52  595161404843450 1    833449 1      C-13-H3C(O)CH3
 1095689.3750  0.2099 -5.8360 3 1755.1692D52  595161404843550 1    833449 1      C-13-H3C(O)CH3
 1095689.3750  0.2099 -5.7228 3 1755.1692D52  595161404843550 1    833549 1      C-13-H3C(O)CH3
 1095690.6049  0.2077 -5.5510 3 1755.1725D52  595161404843450 2    833549 2      C-13-H3C(O)CH3
 1095690.6049  0.2077 -5.5510 3 1755.1725D52  595161404843550 2    833449 2      C-13-H3C(O)CH3
 1095725.7539  0.2209 -5.5331 3 1755.1630D52  595161404843450 0    833549 0      C-13-H3C(O)CH3
 1095725.7539  0.2209 -5.5331 3 1755.1630D52  595161404843550 0    833449 0      C-13-H3C(O)CH3
 1095858.4856  0.0145 -4.7471 3  388.0989712  595161404441035 2    43 836 2      C-13-H3C(O)CH3
 1095858.4856  0.0145 -4.9662 3  388.0989712  595161404441035 2    43 736 2      C-13-H3C(O)CH3
 1095858.4856  0.0145 -4.7471 3  388.0989712  59516140444 935 2    43 736 2      C-13-H3C(O)CH3
 1095858.4856  0.0145 -4.9662 3  388.0989712  59516140444 935 2    43 836 2      C-13-H3C(O)CH3
 1095861.1992  0.0149 -4.6448 3  388.0995712  595161404441035 1    43 736 1      C-13-H3C(O)CH3
 1095861.1992  0.0149 -5.2180 3  388.0995712  595161404441035 1    43 836 1      C-13-H3C(O)CH3
 1095861.1992  0.0149 -4.6448 3  388.0995712  59516140444 935 1    43 836 1      C-13-H3C(O)CH3
 1095861.1992  0.0149 -5.2180 3  388.0995712  59516140444 935 1    43 736 1      C-13-H3C(O)CH3
 1095895.8309  0.3102 -4.5995 3 1113.3952A32  595161404644025 2    633924 2      C-13-H3C(O)CH3
 1095988.1588  0.0542 -5.3426 3  549.9007364  595161404453114 3    442817 3      C-13-H3C(O)CH3
 1095992.8292  0.1519 -4.6721 3  775.6037436  595161404543123 3    533024 3      C-13-H3C(O)CH3
 1095998.6035  0.2272 -4.5995 3 1113.3937A32  595161404644025 1    633924 1      C-13-H3C(O)CH3
 1095999.8931  0.1520 -4.6721 3  775.6037436  595161404543123 4    533024 4      C-13-H3C(O)CH3
 1096087.0452  0.0131 -4.5520 3  388.1177712  59516140444 935 0    43 736 0      C-13-H3C(O)CH3
 1096087.0452  0.0131 -4.5431 3  388.1177712  595161404441035 0    43 836 0      C-13-H3C(O)CH3
 1096107.1861  0.3164 -5.8727 3 1939.3018F12  595161404942471 1    932470 1      C-13-H3C(O)CH3
 1096107.1861  0.3164 -5.8727 3 1939.3018F12  595161404942371 1    932370 1      C-13-H3C(O)CH3
 1096113.7894  0.0408 -5.4600 3  436.2449664  595161404412417 2    402120 2      C-13-H3C(O)CH3
 1096114.3156  0.3176 -5.6713 3 1939.3062F12  595161404942471 2    932470 2      C-13-H3C(O)CH3
 1096114.3156  0.3176 -5.6713 3 1939.3062F12  595161404942371 2    932370 2      C-13-H3C(O)CH3
 1096135.2638  0.3041 -5.6734 3 1939.2870F12  595161404942371 0    932370 0      C-13-H3C(O)CH3
 1096135.2638  0.3041 -5.6734 3 1939.2870F12  595161404942471 0    932470 0      C-13-H3C(O)CH3
 1096143.8457  0.0246 -5.6188 3  389.2781632  595161404392217 2    381920 2      C-13-H3C(O)CH3
 1096148.4048  0.0440 -5.7589 3  436.2211332  595161404412417 3    402120 3      C-13-H3C(O)CH3
 1096157.2911  0.0438 -5.7589 3  436.2211332  595161404412417 4    402120 4      C-13-H3C(O)CH3
 1096187.7283  0.0540 -5.1656 3  549.9088728  595161404453114 2    442817 2      C-13-H3C(O)CH3
 1096247.1363  0.0134 -5.6928 3  366.6644616  595161404382217 0    371720 0      C-13-H3C(O)CH3
 1096261.7138  0.1995 -5.8393 3 1778.0940684  595161404853352 4    843451 4      C-13-H3C(O)CH3
 1096261.7138  0.1995 -5.8393 3 1778.0940684  595161404853452 4    843351 4      C-13-H3C(O)CH3
 1096261.7691  0.1995 -5.8363 3 1778.0939684  595161404853352 3    843451 3      C-13-H3C(O)CH3
 1096261.7691  0.1995 -5.8363 3 1778.0939684  595161404853452 3    843351 3      C-13-H3C(O)CH3
 1096272.5423  0.0155 -5.6922 3  366.6358616  595161404382217 2    371720 2      C-13-H3C(O)CH3
 1096288.7386  0.0169 -5.6198 3  389.3068632  595161404392217 0    381920 0      C-13-H3C(O)CH3
 1096296.5839  0.2187 -5.6814 3 1778.0841D68  595161404853452 1    843351 1      C-13-H3C(O)CH3
 1096296.5839  0.2187 -5.6814 3 1778.0841D68  595161404853352 1    843451 1      C-13-H3C(O)CH3
 1096298.4445  0.2165 -5.5411 3 1778.0876D68  595161404853352 2    843451 2      C-13-H3C(O)CH3
 1096298.4445  0.2165 -5.5411 3 1778.0876D68  595161404853452 2    843351 2      C-13-H3C(O)CH3
 1096305.3232  0.1569 -4.3712 3  775.6062872  595161404543123 2    533024 2      C-13-H3C(O)CH3
 1096333.2172  0.2294 -5.4996 3 1778.0778D68  595161404853352 0    843451 0      C-13-H3C(O)CH3
 1096333.2172  0.2294 -5.4996 3 1778.0778D68  595161404853452 0    843351 0      C-13-H3C(O)CH3
 1096346.6661  0.0143 -5.6909 3  366.6391616  595161404382217 1    371720 1      C-13-H3C(O)CH3
 1096357.5762  0.0946 -4.3711 3  775.6074872  595161404543123 1    533024 1      C-13-H3C(O)CH3
 1096379.4944  0.0190 -5.6179 3  389.2816632  595161404392217 1    381920 1      C-13-H3C(O)CH3
 1096427.1303  0.0238 -5.4623 3  436.2725664  595161404412417 0    402120 0      C-13-H3C(O)CH3
 1096436.1188  0.2129 -4.9012 3 1113.4027516  595161404644025 4    633924 4      C-13-H3C(O)CH3
 1096462.3874  0.0251 -5.4604 3  436.2488664  595161404412417 1    402120 1      C-13-H3C(O)CH3
 1096525.3213  0.2920 -4.8973 3 1113.4013516  595161404644025 3    633924 3      C-13-H3C(O)CH3
 1096539.0802  0.1209 -4.4861 3  754.4341856  595161404533321 0    523022 0      C-13-H3C(O)CH3
 1096542.1527  0.1452 -5.6538 3 1604.2649628  595161404784038 4    774137 4      C-13-H3C(O)CH3
 1096542.2215  0.1452 -5.6538 3 1604.2649628  595161404784038 3    774137 3      C-13-H3C(O)CH3
 1096548.2970  0.1447 -5.6538 3 1604.2648628  595161404784138 4    774037 4      C-13-H3C(O)CH3
 1096548.3708  0.1447 -5.6538 3 1604.2648628  595161404784138 3    774037 3      C-13-H3C(O)CH3
 1096566.6660  0.1559 -5.3528 3 1604.2596C56  595161404784038 2    774137 2      C-13-H3C(O)CH3
 1096572.1250  0.1560 -5.3528 3 1604.2594C56  595161404784138 2    774037 2      C-13-H3C(O)CH3
 1096572.2924  0.1597 -5.3528 3 1604.2558C56  595161404784038 1    774137 1      C-13-H3C(O)CH3
 1096578.4876  0.1601 -5.3528 3 1604.2556C56  595161404784138 1    774037 1      C-13-H3C(O)CH3
 1096579.3733  0.0234 -5.3770 3  445.5247664  595161404412715 0    402218 0      C-13-H3C(O)CH3
 1096596.6906  0.1693 -5.3528 3 1604.2505C56  595161404784038 0    774137 0      C-13-H3C(O)CH3
 1096602.1903  0.1701 -5.3528 3 1604.2503C56  595161404784138 0    774037 0      C-13-H3C(O)CH3
 1096661.9922  0.1002 -4.3712 3  775.6099872  595161404543123 0    533024 0      C-13-H3C(O)CH3
 1096663.6977  0.0413 -4.1636 3  990.4783460  5951614045750 8 4    5649 8 4      C-13-H3C(O)CH3
 1096671.8660  0.0221 -5.6841 3  341.1845348  59516140443 637 4    42 438 4      C-13-H3C(O)CH3
 1096671.8660  0.0221 -5.2519 3  341.1845348  59516140443 637 4    42 538 4      C-13-H3C(O)CH3
 1096671.8660  0.0221 -5.6841 3  341.1845348  59516140443 737 4    42 538 4      C-13-H3C(O)CH3
 1096671.8660  0.0221 -5.2519 3  341.1845348  59516140443 737 4    42 438 4      C-13-H3C(O)CH3
 1096672.5058  0.0207 -5.1162 3  341.1845348  59516140443 737 3    42 438 3      C-13-H3C(O)CH3
 1096672.5058  0.0207 -5.1162 3  341.1845348  59516140443 637 3    42 538 3      C-13-H3C(O)CH3
 1096737.1519  0.0438 -4.1636 3  990.4879460  5951614045750 7 3    5649 7 3      C-13-H3C(O)CH3
 1096741.1623  0.0329 -3.8625 3  990.4700920  5951614045750 8 1    5649 8 1      C-13-H3C(O)CH3
 1096752.2877  0.0343 -3.8625 3  990.4533920  5951614045750 8 2    5649 8 2      C-13-H3C(O)CH3
 1096788.0242  0.0419 -4.1635 3  990.4794460  5951614045750 8 3    5649 8 3      C-13-H3C(O)CH3
 1096790.0755  0.0218 -5.3830 3  445.5023664  595161404412715 1    402218 1      C-13-H3C(O)CH3
 1096820.4267  0.2750 -4.7601 3  839.6082452  595161404563323 3    553224 3      C-13-H3C(O)CH3
 1096826.1688  0.0423 -3.8625 3  990.4629920  5951614045750 7 2    5649 7 2      C-13-H3C(O)CH3
 1096830.2653  0.0310 -3.8624 3  990.4449920  5951614045750 7 0    5649 8 0      C-13-H3C(O)CH3
 1096830.2653  0.0310 -3.8624 3  990.4449920  5951614045750 8 0    5649 7 0      C-13-H3C(O)CH3
 1096835.5360  0.2723 -4.7602 3  839.6081452  595161404563323 4    553224 4      C-13-H3C(O)CH3
 1096861.4956  0.0562 -4.1636 3  990.4889460  5951614045750 7 4    5649 7 4      C-13-H3C(O)CH3
 1096865.9371  0.0391 -3.8624 3  990.4710920  5951614045750 7 1    5649 7 1      C-13-H3C(O)CH3
 1096995.6716  0.2277 -5.6892 3 1800.4076D84  595161404863254 1    853253 1      C-13-H3C(O)CH3
 1096995.6716  0.2277 -5.6892 3 1800.4076D84  595161404863354 1    853353 1      C-13-H3C(O)CH3
 1096998.1459  0.2256 -5.5247 3 1800.4112D84  595161404863354 2    853353 2      C-13-H3C(O)CH3
 1096998.1459  0.2256 -5.5247 3 1800.4112D84  595161404863254 2    853253 2      C-13-H3C(O)CH3
 1097032.3934  0.2379 -5.5382 3 1800.4010D84  595161404863254 0    853253 0      C-13-H3C(O)CH3
 1097032.3934  0.2379 -5.5382 3 1800.4010D84  595161404863354 0    853353 0      C-13-H3C(O)CH3
 1097044.2280  0.0675 -5.5242 3  549.8965364  595161404453114 4    442817 4      C-13-H3C(O)CH3
 1097090.1801  0.0248 -5.3999 3  445.4943664  595161404412715 2    402218 2      C-13-H3C(O)CH3
 1097148.5540  0.0480 -5.5258 3 1050.7615A00  595161404624023 2    613923 2      C-13-H3C(O)CH3
 1097160.8255  0.0234 -5.7220 3  445.4720332  595161404412715 4    402218 4      C-13-H3C(O)CH3
 1097167.0457  0.0528 -5.5094 3 1050.7622A00  595161404624023 1    613923 1      C-13-H3C(O)CH3
 1097185.2812  0.0170 -4.8142 3  341.1803696  59516140443 737 2    42 538 2      C-13-H3C(O)CH3
 1097185.2812  0.0170 -4.8142 3  341.1803696  59516140443 637 2    42 438 2      C-13-H3C(O)CH3
 1097186.6051  0.3293 -5.7434 3 1956.0123F28  595161404952373 1    942372 1      C-13-H3C(O)CH3
 1097186.6051  0.3293 -5.7434 3 1956.0123F28  595161404952273 1    942272 1      C-13-H3C(O)CH3
 1097187.2070  0.0186 -4.8365 3  341.1808696  59516140443 737 1    42 538 1      C-13-H3C(O)CH3
 1097187.2070  0.0186 -4.8365 3  341.1808696  59516140443 637 1    42 438 1      C-13-H3C(O)CH3
 1097193.7202  0.0395 -5.7763 3  293.6731340  59516140442 339 3    41 240 3      C-13-H3C(O)CH3
 1097193.7202  0.0395 -5.7763 3  293.6731340  59516140442 439 3    41 140 3      C-13-H3C(O)CH3
 1097193.9419  0.3319 -5.8700 3 1956.0167F28  595161404952373 2    942272 2      C-13-H3C(O)CH3
 1097193.9419  0.3319 -5.8700 3 1956.0167F28  595161404952273 2    942372 2      C-13-H3C(O)CH3
 1097194.1462  0.0413 -5.7098 3  293.6732340  59516140442 339 4    41 240 4      C-13-H3C(O)CH3
 1097194.1462  0.0413 -5.7098 3  293.6732340  59516140442 439 4    41 140 4      C-13-H3C(O)CH3
 1097212.4495  0.3133 -5.7654 3 1955.9963F28  595161404952273 0    942372 0      C-13-H3C(O)CH3
 1097212.4495  0.3133 -5.7654 3 1955.9963F28  595161404952373 0    942272 0      C-13-H3C(O)CH3
 1097250.1153  0.0521 -5.2932 3 1050.7891500  595161404624023 4    613923 4      C-13-H3C(O)CH3
 1097250.9778  0.1016 -4.4890 3  754.4178856  595161404533321 1    523022 1      C-13-H3C(O)CH3
 1097417.7590  0.1328 -4.4900 3  754.4125856  595161404533321 2    523022 2      C-13-H3C(O)CH3
 1097450.5930  0.2874 -4.4600 3  839.6070904  595161404563323 2    553224 2      C-13-H3C(O)CH3
 1097454.4729  0.0267 -5.6840 3  445.4719332  595161404412715 3    402218 3      C-13-H3C(O)CH3
 1097497.5420  0.1814 -4.4600 3  839.6077904  595161404563323 1    553224 1      C-13-H3C(O)CH3
 1097616.7208  0.0139 -4.2221 3  597.5450792  595161404492227 0    482128 0      C-13-H3C(O)CH3
 1097616.7506  0.0139 -4.2221 3  597.5450792  595161404492327 0    482028 0      C-13-H3C(O)CH3
 1097699.0534  0.0161 -5.6045 3  341.1767696  59516140443 637 0    42 538 0      C-13-H3C(O)CH3
 1097699.0534  0.0161 -4.8898 3  341.1767696  59516140443 737 0    42 538 0      C-13-H3C(O)CH3
 1097699.0534  0.0161 -4.8898 3  341.1767696  59516140443 637 0    42 438 0      C-13-H3C(O)CH3
 1097699.0534  0.0161 -5.6045 3  341.1767696  59516140443 737 0    42 438 0      C-13-H3C(O)CH3
 1097734.7146  0.2143 -5.8490 3 1822.1600700  595161404873156 3    863155 3      C-13-H3C(O)CH3
 1097734.7146  0.2143 -5.8490 3 1822.1600700  595161404873256 3    863255 3      C-13-H3C(O)CH3
 1097743.6304  0.0194 -4.2218 3  597.5260792  595161404492227 2    482128 2      C-13-H3C(O)CH3
 1097743.6642  0.0194 -4.2218 3  597.5260792  595161404492327 2    482028 2      C-13-H3C(O)CH3
 1097744.1188  0.0147 -4.2218 3  597.5272792  595161404492227 1    482128 1      C-13-H3C(O)CH3
 1097744.1521  0.0147 -4.2218 3  597.5272792  595161404492327 1    482028 1      C-13-H3C(O)CH3
 1097768.3368  0.2371 -5.5478 3 1822.1492E00  595161404873256 1    863255 1      C-13-H3C(O)CH3
 1097768.3368  0.2371 -5.5478 3 1822.1492E00  595161404873156 1    863155 1      C-13-H3C(O)CH3
 1097771.4176  0.2350 -5.6265 3 1822.1530E00  595161404873256 2    863255 2      C-13-H3C(O)CH3
 1097771.4176  0.2350 -5.6265 3 1822.1530E00  595161404873156 2    863155 2      C-13-H3C(O)CH3
 1097805.0031  0.2464 -5.5576 3 1822.1423E00  595161404873156 0    863155 0      C-13-H3C(O)CH3
 1097805.0031  0.2464 -5.7861 3 1822.1423E00  595161404873156 0    863255 0      C-13-H3C(O)CH3
 1097818.6200  0.0106 -4.6547 3  516.3708760  595161404471730 0    461531 0      C-13-H3C(O)CH3
 1097818.6200  0.0106 -4.4849 3  516.3708760  595161404471730 0    461631 0      C-13-H3C(O)CH3
 1097818.6200  0.0106 -4.6554 3  516.3708760  595161404471830 0    461631 0      C-13-H3C(O)CH3
 1097818.6200  0.0106 -4.4844 3  516.3708760  595161404471830 0    461531 0      C-13-H3C(O)CH3
 1097838.8016  0.1412 -4.4750 3 1081.7070A16  595161404634024 0    623923 0      C-13-H3C(O)CH3
 1097868.0466  0.0322 -5.5440 3  412.4824648  595161404402317 2    392020 2      C-13-H3C(O)CH3
 1097871.2354  0.0209 -4.5225 3  597.5082396  595161404492227 3    482128 3      C-13-H3C(O)CH3
 1097871.2732  0.0209 -4.5225 3  597.5082396  595161404492327 3    482028 3      C-13-H3C(O)CH3
 1097871.4627  0.0211 -4.5225 3  597.5082396  595161404492227 4    482128 4      C-13-H3C(O)CH3
 1097871.5002  0.0211 -4.5225 3  597.5082396  595161404492327 4    482028 4      C-13-H3C(O)CH3
 1097917.0981  0.0137 -4.3853 3  516.3429760  595161404471730 2    461531 2      C-13-H3C(O)CH3
 1097917.0981  0.0137 -4.3853 3  516.3429760  595161404471830 2    461631 2      C-13-H3C(O)CH3
 1097917.0981  0.0137 -4.8620 3  516.3429760  595161404471830 2    461531 2      C-13-H3C(O)CH3
 1097917.0981  0.0137 -4.8619 3  516.3429760  595161404471730 2    461631 2      C-13-H3C(O)CH3
 1097918.5411  0.0130 -4.4695 3  516.3439760  595161404471730 1    461531 1      C-13-H3C(O)CH3
 1097918.5411  0.0130 -4.6777 3  516.3439760  595161404471830 1    461531 1      C-13-H3C(O)CH3
 1097918.5411  0.0130 -4.4695 3  516.3439760  595161404471830 1    461631 1      C-13-H3C(O)CH3
 1097918.5411  0.0130 -4.6777 3  516.3439760  595161404471730 1    461631 1      C-13-H3C(O)CH3
 1097938.4022  0.0355 -5.8429 3  412.4577324  595161404402317 3    392020 3      C-13-H3C(O)CH3
 1097946.6345  0.0349 -5.8429 3  412.4577324  595161404402317 4    392020 4      C-13-H3C(O)CH3
 1098017.1825  0.0155 -4.8273 3  516.3160380  595161404471830 4    461531 4      C-13-H3C(O)CH3
 1098017.1825  0.0155 -4.8273 3  516.3160380  595161404471730 4    461631 4      C-13-H3C(O)CH3
 1098017.1825  0.0155 -4.8997 3  516.3160380  595161404471730 4    461531 4      C-13-H3C(O)CH3
 1098017.1825  0.0155 -4.8997 3  516.3160380  595161404471830 4    461631 4      C-13-H3C(O)CH3
 1098017.1858  0.0155 -4.7202 3  516.3160380  595161404471730 3    461531 3      C-13-H3C(O)CH3
 1098017.1858  0.0155 -5.0738 3  516.3160380  595161404471830 3    461531 3      C-13-H3C(O)CH3
 1098017.1858  0.0155 -5.0740 3  516.3160380  595161404471730 3    461631 3      C-13-H3C(O)CH3
 1098017.1858  0.0155 -4.7203 3  516.3160380  595161404471830 3    461631 3      C-13-H3C(O)CH3
 1098089.1042  0.0968 -4.7947 3  754.3961428  595161404533321 4    523022 4      C-13-H3C(O)CH3
 1098096.7330  0.0202 -5.5455 3  412.5107648  595161404402317 0    392020 0      C-13-H3C(O)CH3
 1098108.2955  0.1231 -4.4781 3 1081.7271A16  595161404634024 2    623923 2      C-13-H3C(O)CH3
 1098118.0790  0.1920 -4.4609 3  839.6066904  595161404563323 0    553224 0      C-13-H3C(O)CH3
 1098143.9382  0.0458 -5.4524 3  293.6261680  59516140442 339 2    41 240 2      C-13-H3C(O)CH3
 1098143.9382  0.0458 -5.4524 3  293.6261680  59516140442 439 2    41 140 2      C-13-H3C(O)CH3
 1098145.0691  0.0490 -5.4263 3  293.6265680  59516140442 439 1    41 140 1      C-13-H3C(O)CH3
 1098145.0691  0.0490 -5.4263 3  293.6265680  59516140442 339 1    41 240 1      C-13-H3C(O)CH3
 1098148.6686  0.1058 -4.4792 3 1081.7277A16  595161404634024 1    623923 1      C-13-H3C(O)CH3
 1098167.9559  0.0223 -5.5436 3  412.4861648  595161404402317 1    392020 1      C-13-H3C(O)CH3
 1098182.9816  0.1107 -4.7933 3  754.3959428  595161404533321 3    523022 3      C-13-H3C(O)CH3
 1098284.8513  0.3416 -5.7852 3 1972.1830F44  595161404962175 1    952174 1      C-13-H3C(O)CH3
 1098284.8513  0.3416 -5.7852 3 1972.1830F44  595161404962275 1    952274 1      C-13-H3C(O)CH3
 1098285.9534  0.0336 -4.2234 3  998.4834468  595161404584811 4    574711 4      C-13-H3C(O)CH3
 1098292.2800  0.3459 -5.7058 3 1972.1872F44  595161404962175 2    952274 2      C-13-H3C(O)CH3
 1098292.2800  0.3459 -5.7058 3 1972.1872F44  595161404962275 2    952174 2      C-13-H3C(O)CH3
 1098299.5260  0.2116 -4.7189 3  807.3392444  595161404553223 3    543124 3      C-13-H3C(O)CH3
 1098308.0327  0.3220 -5.7233 3 1972.1657F44  595161404962275 0    952274 0      C-13-H3C(O)CH3
 1098308.0327  0.3220 -5.7233 3 1972.1657F44  595161404962175 0    952174 0      C-13-H3C(O)CH3
 1098309.8701  0.2108 -4.7190 3  807.3391444  595161404553223 4    543124 4      C-13-H3C(O)CH3
 1098313.6889  0.0939 -4.7940 3 1081.7496508  595161404634024 4    623923 4      C-13-H3C(O)CH3
 1098380.7693  0.0359 -4.2234 3  998.5068468  595161404584810 3    574710 3      C-13-H3C(O)CH3
 1098388.9808  0.0316 -3.9223 3  998.4662936  595161404584811 2    574711 2      C-13-H3C(O)CH3
 1098401.2018  0.0363 -4.2234 3  998.4930468  595161404584811 3    574711 3      C-13-H3C(O)CH3
 1098409.0163  0.0274 -3.9222 3  998.4749936  595161404584811 1    574711 1      C-13-H3C(O)CH3
 1098484.2512  0.0335 -3.9223 3  998.4895936  595161404584810 2    574710 2      C-13-H3C(O)CH3
 1098496.4014  0.0441 -4.2234 3  998.5164468  595161404584810 4    574710 4      C-13-H3C(O)CH3
 1098512.2770  0.0258 -3.9221 3  998.4577936  595161404584810 0    574711 0      C-13-H3C(O)CH3
 1098512.2770  0.0258 -3.9221 3  998.4577936  595161404584811 0    574710 0      C-13-H3C(O)CH3
 1098512.4160  0.1434 -4.7730 3 1081.7466508  595161404634024 3    623923 3      C-13-H3C(O)CH3
 1098524.6802  0.0304 -3.9222 3  998.4845936  595161404584810 1    574710 1      C-13-H3C(O)CH3
 1098573.2431  0.1208 -4.0724 3  990.2076444  5951614045555 1 4    5454 0 4      C-13-H3C(O)CH3
 1098600.9608  0.2468 -5.6332 3 1843.3170E16  595161404883158 1    873157 1      C-13-H3C(O)CH3
 1098600.9608  0.2468 -5.6332 3 1843.3170E16  595161404883058 1    873057 1      C-13-H3C(O)CH3
 1098604.6447  0.2447 -5.8638 3 1843.3210E16  595161404883158 2    873157 2      C-13-H3C(O)CH3
 1098604.6447  0.2447 -5.8638 3 1843.3210E16  595161404883058 2    873057 2      C-13-H3C(O)CH3
 1098628.3641  0.1013 -3.7712 3  990.1413888  5951614045555 1 1    5454 1 1      C-13-H3C(O)CH3
 1098637.4344  0.2549 -5.6518 3 1843.3095E16  595161404883058 0    873157 0      C-13-H3C(O)CH3
 1098637.4344  0.2549 -5.6518 3 1843.3095E16  595161404883158 0    873057 0      C-13-H3C(O)CH3
 1098642.9854  0.1378 -5.6472 3 1576.5285620  595161404774136 4    764235 4      C-13-H3C(O)CH3
 1098643.0224  0.1380 -5.6472 3 1576.5285620  595161404774136 3    764235 3      C-13-H3C(O)CH3
 1098663.0741  0.1460 -5.3461 3 1576.5238C40  595161404774136 2    764235 2      C-13-H3C(O)CH3
 1098668.1147  0.1486 -5.3462 3 1576.5194C40  595161404774136 1    764235 1      C-13-H3C(O)CH3
 1098688.1292  0.1567 -5.3461 3 1576.5149C40  595161404774136 0    764235 0      C-13-H3C(O)CH3
 1098733.8550  0.0432 -4.3233 3  744.3913856  595161404533123 0    522824 0      C-13-H3C(O)CH3
 1098763.6993  0.1019 -3.7711 3  990.1540888  5951614045555 0 2    5454 0 2      C-13-H3C(O)CH3
 1098779.1361  0.2205 -4.4183 3  807.3399888  595161404553223 2    543124 2      C-13-H3C(O)CH3
 1098779.7714  0.1100 -4.0722 3  990.1818444  5951614045555 1 3    5454 1 3      C-13-H3C(O)CH3
 1098797.9595  0.1306 -5.6471 3 1576.5245620  595161404774236 4    764135 4      C-13-H3C(O)CH3
 1098798.0588  0.1306 -5.6471 3 1576.5245620  595161404774236 3    764135 3      C-13-H3C(O)CH3
 1098806.4221  0.1468 -5.3460 3 1576.5202C40  595161404774236 2    764135 2      C-13-H3C(O)CH3
 1098815.6039  0.1045 -4.0722 3  990.2222444  5951614045555 0 3    5454 0 3      C-13-H3C(O)CH3
 1098818.2847  0.1128 -3.7709 3  990.0879888  5951614045555 0 0    5454 0 0      C-13-H3C(O)CH3
 1098818.2847  0.1128 -3.7709 3  990.0879888  5951614045555 1 0    5454 1 0      C-13-H3C(O)CH3
 1098822.5379  0.1542 -5.3461 3 1576.5155C40  595161404774236 1    764135 1      C-13-H3C(O)CH3
 1098830.8720  0.1667 -5.3460 3 1576.5112C40  595161404774236 0    764135 0      C-13-H3C(O)CH3
 1098832.0688  0.0447 -4.3233 3  744.3861856  595161404533123 1    522824 1      C-13-H3C(O)CH3
 1098834.4869  0.1358 -4.4182 3  807.3409888  595161404553223 1    543124 1      C-13-H3C(O)CH3
 1098836.3609  0.0463 -4.3234 3  744.3845856  595161404533123 2    522824 2      C-13-H3C(O)CH3
 1098869.9924  0.1095 -3.7710 3  990.1559888  5951614045555 0 1    5454 0 1      C-13-H3C(O)CH3
 1098934.1437  0.0472 -4.6245 3  744.3792428  595161404533123 4    522824 4      C-13-H3C(O)CH3
 1098939.9151  0.0463 -4.6245 3  744.3792428  595161404533123 3    522824 3      C-13-H3C(O)CH3
 1098969.5165  0.1228 -3.7709 3  990.1283888  5951614045555 1 2    5454 1 2      C-13-H3C(O)CH3
 1099021.8981  0.1294 -4.0720 3  990.1963444  5951614045555 0 4    5454 1 4      C-13-H3C(O)CH3
 1099093.1748  0.0432 -5.4027 3  293.5796680  59516140442 339 0    41 240 0      C-13-H3C(O)CH3
 1099093.1748  0.0432 -5.4027 3  293.5796680  59516140442 439 0    41 140 0      C-13-H3C(O)CH3
 1099231.5720  0.1310 -4.5984 3  728.1565840  595161404523320 0    513021 0      C-13-H3C(O)CH3
 1099304.6400  0.1443 -4.4185 3  807.3416888  595161404553223 0    543124 0      C-13-H3C(O)CH3
 1099327.5020  0.0649 -4.3637 3 1050.7316A00  595161404624022 0    613923 0      C-13-H3C(O)CH3
 1099400.7119  0.3526 -5.7637 3 1987.8158F60  595161404972077 1    962076 1      C-13-H3C(O)CH3
 1099400.7119  0.3526 -5.7637 3 1987.8158F60  595161404972177 1    962176 1      C-13-H3C(O)CH3
 1099408.1023  0.3589 -5.7651 3 1987.8198F60  595161404972177 2    962076 2      C-13-H3C(O)CH3
 1099408.1023  0.3589 -5.7651 3 1987.8198F60  595161404972077 2    962176 2      C-13-H3C(O)CH3
 1099480.3283  0.0482 -4.6631 3 1050.7955500  595161404624022 3    613923 3      C-13-H3C(O)CH3
 1099483.2469  0.2571 -5.5966 3 1863.9174E32  595161404893060 1    883059 1      C-13-H3C(O)CH3
 1099483.2469  0.2571 -5.5966 3 1863.9174E32  595161404892960 1    882959 1      C-13-H3C(O)CH3
 1099487.5292  0.2550 -5.5960 3 1863.9216E32  595161404893060 2    883059 2      C-13-H3C(O)CH3
 1099487.5292  0.2550 -5.5960 3 1863.9216E32  595161404892960 2    882959 2      C-13-H3C(O)CH3
 1099504.1752  0.1411 -4.3938 3 1050.7615A00  595161404624022 2    613923 2      C-13-H3C(O)CH3
 1099519.3854  0.2635 -5.6098 3 1863.9094E32  595161404893060 0    882959 0      C-13-H3C(O)CH3
 1099519.3854  0.2635 -5.6098 3 1863.9094E32  595161404892960 0    883059 0      C-13-H3C(O)CH3
 1099526.5167  0.1204 -4.3950 3 1050.7622A00  595161404624022 1    613923 1      C-13-H3C(O)CH3
 1099538.5320  0.0357 -4.2944 3 1008.2840476  595161404594614 4    584514 4      C-13-H3C(O)CH3
 1099565.3109  0.5960 -5.2854 3 1474.6339B92  595161404744332 0    734231 0      C-13-H3C(O)CH3
 1099663.5906  0.2721 -5.1362 3 1034.0721492  595161404614220 4    604119 4      C-13-H3C(O)CH3
 1099663.6075  0.0333 -3.9932 3 1008.2644952  595161404594614 2    584514 2      C-13-H3C(O)CH3
 1099676.1987  0.0366 -4.2943 3 1008.2995476  595161404594614 3    584514 3      C-13-H3C(O)CH3
 1099677.9929  0.0535 -4.6062 3 1034.0721492  595161404614219 4    604119 4      C-13-H3C(O)CH3
 1099679.8422  0.0329 -4.2943 3 1008.3090476  595161404594613 3    584513 3      C-13-H3C(O)CH3
 1099680.4366  0.6423 -5.2855 3 1474.6394B92  595161404744332 2    734231 2      C-13-H3C(O)CH3
 1099692.7289  0.0260 -3.9931 3 1008.2631952  595161404594614 1    584514 1      C-13-H3C(O)CH3
 1099715.9136  0.2553 -5.6727 3 1034.0260984  595161404614220 2    604119 2      C-13-H3C(O)CH3
 1099760.6618  0.0293 -4.2071 3 1034.0260984  595161404614219 2    604119 2      C-13-H3C(O)CH3
 1099777.2900  0.0292 -4.1961 3 1034.0208984  595161404614220 1    604119 1      C-13-H3C(O)CH3
 1099805.1433  0.0294 -3.9931 3 1008.2893952  595161404594613 2    584513 2      C-13-H3C(O)CH3
 1099807.2998  0.3345 -5.8241 3 1034.0662492  595161404614220 3    604119 3      C-13-H3C(O)CH3
 1099817.8363  0.0234 -3.9929 3 1008.2434952  595161404594614 0    584513 0      C-13-H3C(O)CH3
 1099817.8363  0.0234 -3.9929 3 1008.2434952  595161404594613 0    584514 0      C-13-H3C(O)CH3
 1099817.8809  0.0367 -4.2943 3 1008.3244476  595161404594613 4    584513 4      C-13-H3C(O)CH3
 1099821.2983  0.0251 -5.4754 3  471.8410332  595161404413210 3    402911 3      C-13-H3C(O)CH3
 1099830.5409  0.0258 -3.9930 3 1008.2784952  595161404594613 1    584513 1      C-13-H3C(O)CH3
 1099842.0818  0.3748 -5.3164 3 1511.1315C08  595161404754333 0    744232 0      C-13-H3C(O)CH3
 1099844.9129  0.0266 -4.1922 3 1033.9752984  595161404614220 0    604119 0      C-13-H3C(O)CH3
 1099873.9434  0.0222 -5.1766 3  471.8286664  595161404413210 1    402912 1      C-13-H3C(O)CH3
 1099878.1305  0.3683 -5.3164 3 1511.1389C08  595161404754333 2    744232 2      C-13-H3C(O)CH3
 1099880.3774  0.0222 -5.1763 3  471.8685664  5951614044132 9 2    402911 2      C-13-H3C(O)CH3
 1099884.2275  0.0266 -4.1922 3 1033.9743984  595161404614219 0    604120 0      C-13-H3C(O)CH3
 1099886.6971  0.0437 -4.5141 3 1034.0662492  595161404614219 3    604119 3      C-13-H3C(O)CH3
 1099901.0396  0.0462 -4.5140 3 1034.0630492  595161404614220 3    604120 3      C-13-H3C(O)CH3
 1099908.4190  0.3162 -4.7788 3 1050.7891500  595161404624022 4    613923 4      C-13-H3C(O)CH3
 1099932.3634  0.0209 -5.1786 3  471.8560664  595161404413210 0    402911 0      C-13-H3C(O)CH3
 1099941.5089  0.0209 -5.1786 3  471.8557664  5951614044132 9 0    402912 0      C-13-H3C(O)CH3
 1099955.9809  0.5276 -5.2855 3 1474.6257B92  595161404744332 1    734231 1      C-13-H3C(O)CH3
 1099980.4368  0.3366 -5.8240 3 1034.0630492  595161404614219 3    604120 3      C-13-H3C(O)CH3
 1099984.7829  0.0341 -4.2065 3 1034.0170984  595161404614220 2    604120 2      C-13-H3C(O)CH3
 1099994.2008  0.0303 -4.1955 3 1034.0148984  595161404614219 1    604120 1      C-13-H3C(O)CH3
 1100020.8532  0.0281 -5.4753 3  471.8622332  5951614044132 9 4    402911 4      C-13-H3C(O)CH3
 1100023.0320  0.0263 -5.4774 3  471.8122332  595161404413210 4    402912 4      C-13-H3C(O)CH3
 1100029.5311  0.2668 -5.6723 3 1034.0170984  595161404614219 2    604120 2      C-13-H3C(O)CH3
 1100033.6702  0.3261 -5.3165 3 1511.1289C08  595161404754333 1    744232 1      C-13-H3C(O)CH3
 1100070.1888  0.2526 -5.6176 3 1511.1364604  595161404754333 4    744232 4      C-13-H3C(O)CH3
 1100070.6032  0.2579 -5.6176 3 1511.1364604  595161404754333 3    744232 3      C-13-H3C(O)CH3
 1100072.3625  0.4806 -5.5866 3 1474.6312596  595161404744332 4    734231 4      C-13-H3C(O)CH3
 1100072.9731  0.4895 -5.5866 3 1474.6311596  595161404744332 3    734231 3      C-13-H3C(O)CH3
 1100073.6379  0.0227 -5.1766 3  471.8497664  5951614044132 9 1    402911 1      C-13-H3C(O)CH3
 1100079.8472  0.0259 -5.3246 3  572.1186744  595161404463116 1    452818 1      C-13-H3C(O)CH3
 1100084.9009  0.0218 -5.1785 3  471.8397664  595161404413210 2    402912 2      C-13-H3C(O)CH3
 1100109.7626  0.0840 -4.6050 3 1034.0572492  595161404614220 4    604120 4      C-13-H3C(O)CH3
 1100124.1648  0.2953 -5.1350 3 1034.0572492  595161404614219 4    604120 4      C-13-H3C(O)CH3
 1100130.4602  0.0367 -5.4595 3  572.1060372  595161404463116 4    452818 4      C-13-H3C(O)CH3
 1100156.2645  0.1087 -4.6034 3  728.1349840  595161404523320 1    513021 1      C-13-H3C(O)CH3
 1100188.6512  0.0373 -4.3812 3 1020.0545484  595161404604417 4    594317 4      C-13-H3C(O)CH3
 1100209.2961  0.0329 -5.2433 3  572.1173744  595161404463116 2    452818 2      C-13-H3C(O)CH3
 1100225.8191  0.0258 -5.4776 3  471.8334332  5951614044132 9 3    402912 3      C-13-H3C(O)CH3
 1100317.5674  0.0316 -4.0798 3 1020.0228968  595161404604417 2    594317 2      C-13-H3C(O)CH3
 1100341.7725  0.0267 -4.0798 3 1020.0159968  595161404604417 1    594317 1      C-13-H3C(O)CH3
 1100367.7958  0.0376 -4.3810 3 1020.0658484  595161404604417 3    594317 3      C-13-H3C(O)CH3
 1100381.0277  0.0356 -4.3809 3 1020.0675484  595161404604416 3    594316 3      C-13-H3C(O)CH3
 1100407.3076  0.2680 -5.6195 3 1883.9559E48  595161404902862 1    892861 1      C-13-H3C(O)CH3
 1100407.3076  0.2680 -5.6710 3 1883.9559E48  595161404902962 1    892961 1      C-13-H3C(O)CH3
 1100412.1783  0.2660 -5.7643 3 1883.9603E48  595161404902962 2    892961 2      C-13-H3C(O)CH3
 1100412.1783  0.2660 -5.7643 3 1883.9603E48  595161404902862 2    892861 2      C-13-H3C(O)CH3
 1100441.2203  0.1657 -4.6059 3  728.1268840  595161404523320 2    513021 2      C-13-H3C(O)CH3
 1100442.9539  0.2724 -5.6703 3 1883.9472E48  595161404902862 0    892861 0      C-13-H3C(O)CH3
 1100442.9539  0.2724 -5.6703 3 1883.9472E48  595161404902962 0    892961 0      C-13-H3C(O)CH3
 1100470.7297  0.0191 -4.0794 3 1019.9843968  595161404604417 0    594316 0      C-13-H3C(O)CH3
 1100470.8098  0.0191 -4.0794 3 1019.9843968  595161404604416 0    594317 0      C-13-H3C(O)CH3
 1100485.2421  0.0230 -4.8141 3  572.1290744  595161404463115 0    452818 0      C-13-H3C(O)CH3
 1100510.0288  0.0311 -4.0795 3 1020.0359968  595161404604416 2    594316 2      C-13-H3C(O)CH3
 1100520.9000  0.0268 -4.0796 3 1020.0272968  595161404604416 1    594316 1      C-13-H3C(O)CH3
 1100533.2513  0.3615 -5.7413 3 2002.9126F76  595161404982079 1    971978 1      C-13-H3C(O)CH3
 1100533.2513  0.3615 -5.7413 3 2002.9126F76  595161404981979 1    972078 1      C-13-H3C(O)CH3
 1100540.4622  0.3700 -5.8688 3 2002.9163F76  595161404982079 2    971978 2      C-13-H3C(O)CH3
 1100540.4622  0.3700 -5.8688 3 2002.9163F76  595161404981979 2    972078 2      C-13-H3C(O)CH3
 1100549.6479  0.3366 -5.7504 3 2002.8926F76  595161404981979 0    971978 0      C-13-H3C(O)CH3
 1100549.6479  0.3366 -5.7504 3 2002.8926F76  595161404982079 0    972078 0      C-13-H3C(O)CH3
 1100560.2992  0.0421 -4.3807 3 1020.0789484  595161404604416 4    594316 4      C-13-H3C(O)CH3
 1100707.6448  0.0763 -4.1143 3  994.4802452  5951614045653 3 4    5552 3 4      C-13-H3C(O)CH3
 1100744.8268  0.0609 -3.8132 3  994.4477904  5951614045653 4 1    5552 4 1      C-13-H3C(O)CH3
 1100820.0204  0.0716 -4.1142 3  994.4651452  5951614045653 4 3    5552 4 3      C-13-H3C(O)CH3
 1100828.8401  0.0617 -3.8131 3  994.4372904  5951614045653 3 2    5552 3 2      C-13-H3C(O)CH3
 1100866.3020  0.0626 -3.8130 3  994.4047904  5951614045653 4 0    5552 3 0      C-13-H3C(O)CH3
 1100866.3020  0.0626 -3.8130 3  994.4047904  5951614045653 3 0    5552 4 0      C-13-H3C(O)CH3
 1100889.0276  0.0690 -4.1141 3  994.4809452  5951614045653 3 3    5552 3 3      C-13-H3C(O)CH3
 1100925.9697  0.0678 -3.8131 3  994.4485904  5951614045653 3 1    5552 3 1      C-13-H3C(O)CH3
 1100940.9008  0.0746 -3.8130 3  994.4222904  5951614045653 4 2    5552 4 2      C-13-H3C(O)CH3
 1101000.8080  0.0883 -4.1140 3  994.4658452  5951614045653 4 4    5552 4 4      C-13-H3C(O)CH3
 1101022.3032  0.0166 -4.2305 3  634.1576808  595161404502426 0    492327 0      C-13-H3C(O)CH3
 1101023.4467  0.0166 -4.2305 3  634.1576808  595161404502526 0    492227 0      C-13-H3C(O)CH3
 1101051.6948  0.0314 -4.2778 3  707.6641840  595161404522824 0    512725 0      C-13-H3C(O)CH3
 1101080.4119  0.0498 -4.2776 3  707.6564840  595161404522824 2    512725 2      C-13-H3C(O)CH3
 1101090.0343  0.0322 -4.2776 3  707.6577840  595161404522824 1    512725 1      C-13-H3C(O)CH3
 1101117.8684  0.0512 -4.5785 3  707.6499420  595161404522824 3    512725 3      C-13-H3C(O)CH3
 1101118.6932  0.0516 -4.5785 3  707.6499420  595161404522824 4    512725 4      C-13-H3C(O)CH3
 1101138.5836  0.0247 -4.2303 3  634.1428808  595161404502426 2    492327 2      C-13-H3C(O)CH3
 1101139.4357  0.0174 -4.2302 3  634.1440808  595161404502426 1    492327 1      C-13-H3C(O)CH3
 1101139.8402  0.0247 -4.2303 3  634.1428808  595161404502526 2    492227 2      C-13-H3C(O)CH3
 1101140.6784  0.0174 -4.2302 3  634.1440808  595161404502526 1    492227 1      C-13-H3C(O)CH3
 1101199.7868  0.0101 -4.9118 3  470.8835744  595161404461432 0    451233 0      C-13-H3C(O)CH3
 1101199.7868  0.0101 -4.4583 3  470.8835744  595161404461432 0    451333 0      C-13-H3C(O)CH3
 1101199.7868  0.0101 -4.9118 3  470.8835744  595161404461532 0    451333 0      C-13-H3C(O)CH3
 1101199.7868  0.0101 -4.4583 3  470.8835744  595161404461532 0    451233 0      C-13-H3C(O)CH3
 1101200.3577  0.0369 -4.9742 3  572.1186744  595161404463115 1    452818 1      C-13-H3C(O)CH3
 1101230.9229  0.0134 -4.3274 3  470.8536744  595161404461432 2    451333 2      C-13-H3C(O)CH3
 1101230.9229  0.0134 -4.3274 3  470.8536744  595161404461532 2    451233 2      C-13-H3C(O)CH3
 1101233.2095  0.0135 -4.7614 3  470.8544744  595161404461532 1    451333 1      C-13-H3C(O)CH3
 1101233.2095  0.0135 -4.6392 3  470.8544744  595161404461532 1    451233 1      C-13-H3C(O)CH3
 1101233.2095  0.0135 -4.6174 3  470.8544744  595161404461432 1    451233 1      C-13-H3C(O)CH3
 1101233.2095  0.0135 -4.5264 3  470.8544744  595161404461432 1    451333 1      C-13-H3C(O)CH3
 1101255.9023  0.0262 -4.5310 3  634.1292404  595161404502426 3    492327 3      C-13-H3C(O)CH3
 1101256.1680  0.0264 -4.5310 3  634.1292404  595161404502426 4    492327 4      C-13-H3C(O)CH3
 1101257.2684  0.0262 -4.5310 3  634.1292404  595161404502526 3    492227 3      C-13-H3C(O)CH3
 1101257.5272  0.0264 -4.5310 3  634.1292404  595161404502526 4    492227 4      C-13-H3C(O)CH3
 1101257.7770  0.1301 -4.9165 3  728.1054420  595161404523320 4    513021 4      C-13-H3C(O)CH3
 1101264.1783  0.0146 -4.7365 3  470.8245372  595161404461532 4    451233 4      C-13-H3C(O)CH3
 1101264.1783  0.0146 -5.2834 3  470.8245372  595161404461532 4    451333 4      C-13-H3C(O)CH3
 1101264.1783  0.0146 -5.2834 3  470.8245372  595161404461432 4    451233 4      C-13-H3C(O)CH3
 1101264.1783  0.0146 -4.7365 3  470.8245372  595161404461432 4    451333 4      C-13-H3C(O)CH3
 1101264.4202  0.0146 -4.9111 3  470.8245372  595161404461432 3    451333 3      C-13-H3C(O)CH3
 1101264.4202  0.0146 -4.9477 3  470.8245372  595161404461432 3    451233 3      C-13-H3C(O)CH3
 1101264.4202  0.0146 -4.9477 3  470.8245372  595161404461532 3    451333 3      C-13-H3C(O)CH3
 1101264.4202  0.0146 -4.9111 3  470.8245372  595161404461532 3    451233 3      C-13-H3C(O)CH3
 1101328.7933  0.0201 -5.3745 3  441.1530664  595161404412616 0    402119 0      C-13-H3C(O)CH3
 1101367.0370  0.2795 -5.6430 3 1903.4373E64  595161404912864 1    902863 1      C-13-H3C(O)CH3
 1101367.0370  0.2795 -5.6430 3 1903.4373E64  595161404912764 1    902763 1      C-13-H3C(O)CH3
 1101372.4771  0.2778 -5.8550 3 1903.4418E64  595161404912864 2    902863 2      C-13-H3C(O)CH3
 1101372.4771  0.2778 -5.8550 3 1903.4418E64  595161404912764 2    902763 2      C-13-H3C(O)CH3
 1101413.1375  0.1829 -5.6563 3 1547.8308612  595161404764234 3    754333 3      C-13-H3C(O)CH3
 1101413.2829  0.1806 -5.6563 3 1547.8308612  595161404764234 4    754333 4      C-13-H3C(O)CH3
 1101436.9203  0.1663 -5.3553 3 1547.8221C24  595161404764234 1    754333 1      C-13-H3C(O)CH3
 1101474.4368  0.1894 -5.3551 3 1547.8269C24  595161404764234 2    754333 2      C-13-H3C(O)CH3
 1101479.2328  0.1550 -4.9073 3  728.1050420  595161404523320 3    513021 3      C-13-H3C(O)CH3
 1101498.0176  0.1649 -5.3550 3 1547.8183C24  595161404764234 0    754333 0      C-13-H3C(O)CH3
 1101535.4899  0.0194 -5.3735 3  441.1301664  595161404412616 1    402119 1      C-13-H3C(O)CH3
 1101629.7154  0.0522 -5.1788 3  572.1078372  595161404463115 3    452818 3      C-13-H3C(O)CH3
 1101674.2577  0.0185 -5.3756 3  441.1250664  595161404412616 2    402119 2      C-13-H3C(O)CH3
 1101681.7628  0.3676 -5.7614 3 2017.4752F92  595161404991981 1    981980 1      C-13-H3C(O)CH3
 1101681.7628  0.3676 -5.7614 3 2017.4752F92  595161404991881 1    981880 1      C-13-H3C(O)CH3
 1101681.9182  0.1449 -4.7513 3 1044.9984500  595161404623923 3    613824 3      C-13-H3C(O)CH3
 1101686.2172  0.0295 -4.2774 3  707.6631840  595161404522924 0    512625 0      C-13-H3C(O)CH3
 1101693.9767  0.3414 -5.8018 3 2017.4538F92  595161404991881 0    981980 0      C-13-H3C(O)CH3
 1101693.9767  0.3414 -5.8383 3 2017.4538F92  595161404991981 0    981880 0      C-13-H3C(O)CH3
 1101713.6900  0.0594 -5.0178 3  572.1173744  595161404463115 2    452818 2      C-13-H3C(O)CH3
 1101748.9563  0.0433 -4.2773 3  707.6553840  595161404522924 2    512625 2      C-13-H3C(O)CH3
 1101753.5210  0.0312 -4.2772 3  707.6566840  595161404522924 1    512625 1      C-13-H3C(O)CH3
 1101789.4349  0.1229 -4.4542 3 1044.9754A00  595161404623923 2    613824 2      C-13-H3C(O)CH3
 1101793.4510  0.1212 -4.4543 3 1044.9758A00  595161404623923 1    613824 1      C-13-H3C(O)CH3
 1101816.6006  0.0454 -4.5782 3  707.6487420  595161404522924 4    512625 4      C-13-H3C(O)CH3
 1101817.0783  0.0450 -4.5782 3  707.6487420  595161404522924 3    512625 3      C-13-H3C(O)CH3
 1101829.9768  0.1211 -4.4540 3 1044.9539A00  595161404623923 0    613824 0      C-13-H3C(O)CH3
 1101833.1164  0.1255 -4.7601 3 1044.9964500  595161404623923 4    613824 4      C-13-H3C(O)CH3
 1101848.6141  0.0161 -5.6762 3  441.1020332  595161404412616 4    402119 4      C-13-H3C(O)CH3
 1101909.3124  0.0167 -5.6747 3  441.1020332  595161404412616 3    402119 3      C-13-H3C(O)CH3